OC1=CC=CC=C1C=NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004570959	0	30	-1.0	-46.22	271.87	3.79	-42.43
OC1=CC=CC=C1C=NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004570959	1	30	-1.0	-46.16	271.93	3.78	-42.38
COC1=CC=CC(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1O	REAL250004570960	0	34	-1.0	-49.42	301.06	3.73	-45.69
COC1=CC=CC(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1O	REAL250004570960	1	34	-1.0	-49.44	301.12	3.73	-45.71
COC1=CC=C(O)C(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004570961	0	34	-1.0	-45.62	301.35	3.08	-42.54
COC1=CC=C(O)C(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004570961	1	34	-1.0	-45.59	301.41	3.07	-42.52
OC1=CC=CC(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1O	REAL250004570962	0	31	-1.0	-48.71	282.61	1.67	-47.04
OC1=CC=CC(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1O	REAL250004570962	1	31	-1.0	-48.66	282.67	1.66	-47.00
OC1=CC=C(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)C(O)=C1O	REAL250004570963	0	32	-1.0	-50.21	293.31	-0.48	-50.69
OC1=CC=C(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)C(O)=C1O	REAL250004570963	1	32	-1.0	-50.19	293.38	-0.49	-50.68
OC1=CC=C(Cl)C=C1C=NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004570964	0	30	-1.0	-43.80	288.62	4.31	-39.49
OC1=CC=C(Cl)C=C1C=NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004570964	1	30	-1.0	-43.77	288.68	4.31	-39.46
COC1=CC=CC(O)=C1C=NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004570965	0	34	-1.0	-46.75	300.22	3.16	-43.59
COC1=CC=CC(O)=C1C=NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004570965	1	34	-1.0	-46.74	300.28	3.15	-43.59
CCN1C2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004570966	0	32	-1.0	-45.40	289.54	6.31	-39.09
CCN1C2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004570966	1	32	-1.0	-45.42	289.48	6.29	-39.13
CN1C2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004570967	0	29	-1.0	-45.64	267.73	5.40	-40.24
CN1C2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004570967	1	29	-1.0	-45.63	267.67	5.38	-40.25
CCN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL250004570968	0	32	-1.0	-46.82	297.16	5.77	-41.05
CCN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL250004570968	1	32	-1.0	-46.81	297.21	5.78	-41.03
CC1=CC(C)=NC2=NC(SCCC3=N[N-]N=N3)=NN21	REAL250004570969	0	30	-1.0	-52.58	280.73	6.24	-46.34
CC1=CC(C)=NC2=NC(SCCC3=NN=N[N-]3)=NN21	REAL250004570969	1	30	-1.0	-52.63	280.78	6.26	-46.37
C1=CC=C2C(=C1)NC1=NN=C(SCCC3=NN=N[N-]3)N21	REAL250004570970	0	29	-1.0	-48.65	274.34	7.62	-41.03
C1=CC=C2C(=C1)NC1=NN=C(SCCC3=N[N-]N=N3)N21	REAL250004570970	1	29	-1.0	-48.60	274.28	7.59	-41.01
ClC1=CC=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004570971	0	26	-1.0	-42.57	262.95	4.22	-38.35
ClC1=CC=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004570971	1	26	-1.0	-42.57	263.01	4.23	-38.34
CCCCNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004570972	0	32	-1.0	-42.33	303.27	3.36	-38.97
CCCCNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004570972	1	32	-1.0	-42.33	303.21	3.35	-38.98
C1=CC=C(C(SCCC2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL250004570973	0	36	-1.0	-38.28	314.40	8.99	-29.29
C1=CC=C(C(SCCC2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL250004570973	1	36	-1.0	-38.26	314.34	8.97	-29.29
COC1=CC=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004570974	0	30	-1.0	-46.25	275.69	3.00	-43.25
COC1=CC=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004570974	1	30	-1.0	-46.29	275.74	3.01	-43.28
O=C1C2=CC=CC([N+](=O)[O-])=C2C(=O)N1CCC1=N[N-]N=N1	REAL250004570975	0	28	-1.0	-51.56	265.97	4.68	-46.88
O=C1C2=CC=CC([N+](=O)[O-])=C2C(=O)N1CCC1=NN=N[N-]1	REAL250004570975	1	28	-1.0	-51.54	266.03	4.69	-46.85
CC1=CC=C(C2=NN(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004570976	0	30	-1.0	-36.44	270.76	3.86	-32.58
CC1=CC=C(C2=NN(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004570976	1	30	-1.0	-36.45	270.70	3.85	-32.60
O=C1CCCN1CC1=NN=C(SCCC2=N[N-]N=N2)O1	REAL250004570977	0	32	-1.0	-50.06	298.05	-1.09	-51.15
O=C1CCCN1CC1=NN=C(SCCC2=NN=N[N-]2)O1	REAL250004570977	1	32	-1.0	-50.05	298.10	-1.08	-51.13
NN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CS1	REAL250004570978	0	28	-1.0	-45.63	278.49	4.03	-41.60
NN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CS1	REAL250004570978	1	28	-1.0	-45.64	278.55	4.05	-41.59
NN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL250004570979	0	28	-1.0	-45.82	270.85	3.08	-42.74
NN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL250004570979	1	28	-1.0	-45.82	270.91	3.10	-42.72
FC1=CC=C(C2=NN=C(SCCC3=N[N-]N=N3)O2)C=C1	REAL250004570980	0	28	-1.0	-40.07	277.82	0.90	-39.17
FC1=CC=C(C2=NN=C(SCCC3=NN=N[N-]3)O2)C=C1	REAL250004570980	1	28	-1.0	-40.10	277.88	0.92	-39.18
O=C1C=CC(C(F)(F)F)=CN1CCC1=N[N-]N=N1	REAL250004570981	0	25	-1.0	-40.66	240.53	3.57	-37.09
O=C1C=CC(C(F)(F)F)=CN1CCC1=NN=N[N-]1	REAL250004570981	1	25	-1.0	-40.64	240.59	3.58	-37.06
CCSC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004570982	0	25	-1.0	-40.17	266.89	2.93	-37.24
CCSC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004570982	1	25	-1.0	-40.12	266.83	2.92	-37.20
CC1=NC2=CC=CC=C2C(SCCC2=NN=N[N-]2)=N1	REAL250004570983	0	30	-1.0	-42.76	275.31	5.04	-37.72
CC1=NC2=CC=CC=C2C(SCCC2=N[N-]N=N2)=N1	REAL250004570983	1	30	-1.0	-42.72	275.25	5.02	-37.70
FC1=CC=CC=C1C1=NC(SCCC2=N[N-]N=N2)=NN1	REAL250004570984	0	29	-1.0	-46.01	279.34	5.04	-40.97
FC1=CC=CC=C1C1=NC(SCCC2=NN=N[N-]2)=NN1	REAL250004570984	1	29	-1.0	-46.01	279.40	5.05	-40.96
C1=CC2=CC=C(SCCC3=NN=N[N-]3)C=C2C=C1	REAL250004570985	0	29	-1.0	-37.97	262.93	7.05	-30.92
C1=CC2=CC=C(SCCC3=N[N-]N=N3)C=C2C=C1	REAL250004570985	1	29	-1.0	-37.97	262.87	7.03	-30.94
CC(C)NC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004570986	0	29	-1.0	-42.83	281.07	2.60	-40.23
CC(C)NC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004570986	1	29	-1.0	-42.83	281.02	2.58	-40.25
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL250004570987	0	29	-1.0	-46.75	275.94	4.86	-41.89
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL250004570987	1	29	-1.0	-46.76	276.00	4.88	-41.88
CC1=NN=C(SCCC2=N[N-]N=N2)N1C1CCCCC1	REAL250004570988	0	38	-1.0	-47.19	311.96	6.85	-40.34
CC1=NN=C(SCCC2=NN=N[N-]2)N1C1CCCCC1	REAL250004570988	1	38	-1.0	-47.19	312.02	6.87	-40.32
CC1=CC=CC(C2=NN=C(SCCC3=N[N-]N=N3)O2)=C1	REAL250004570989	0	31	-1.0	-42.48	292.83	1.50	-40.98
CC1=CC=CC(C2=NN=C(SCCC3=NN=N[N-]3)O2)=C1	REAL250004570989	1	31	-1.0	-42.46	292.88	1.51	-40.95
C=CCN1C2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004570990	0	33	-1.0	-45.45	302.35	6.86	-38.59
C=CCN1C2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004570990	1	33	-1.0	-45.47	302.29	6.85	-38.62
ClC1=CC=CC(Cl)=C1SCCC1=N[N-]N=N1	REAL250004570991	0	23	-1.0	-39.29	251.11	5.80	-33.49
ClC1=CC=CC(Cl)=C1SCCC1=NN=N[N-]1	REAL250004570991	1	23	-1.0	-39.26	251.17	5.81	-33.45
CC1=CC=CC=C1N1C=NN=C1SCCC1=NN=N[N-]1	REAL250004570992	0	32	-1.0	-45.49	290.51	7.69	-37.80
CC1=CC=CC=C1N1C=NN=C1SCCC1=N[N-]N=N1	REAL250004570992	1	32	-1.0	-45.48	290.45	7.68	-37.80
CC1=CC=CC=C1C1=NN=C(SCCC2=N[N-]N=N2)O1	REAL250004570993	0	31	-1.0	-42.15	286.78	2.09	-40.06
CC1=CC=CC=C1C1=NN=C(SCCC2=NN=N[N-]2)O1	REAL250004570993	1	31	-1.0	-42.15	286.84	2.11	-40.04
ClC1=CNC2=NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004570994	0	25	-1.0	-54.19	258.00	3.43	-50.76
ClC1=CNC2=NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004570994	1	25	-1.0	-54.25	258.06	3.44	-50.81
FC(F)(F)C1=CC=CC(SCCC2=N[N-]N=N2)=C1	REAL250004570995	0	26	-1.0	-34.65	255.51	5.75	-28.90
FC(F)(F)C1=CC=CC(SCCC2=NN=N[N-]2)=C1	REAL250004570995	1	26	-1.0	-34.65	255.57	5.77	-28.88
COCCNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004570996	0	30	-1.0	-43.14	293.87	0.89	-42.25
COCCNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004570996	1	30	-1.0	-43.13	293.81	0.88	-42.25
COCCN1C=NN=C1SCCC1=NN=N[N-]1	REAL250004570997	0	29	-1.0	-45.38	271.78	4.00	-41.38
COCCN1C=NN=C1SCCC1=N[N-]N=N1	REAL250004570997	1	29	-1.0	-45.36	271.72	3.98	-41.38
COCCCN1C=NN=C1SCCC1=NN=N[N-]1	REAL250004570998	0	32	-1.0	-48.20	293.28	4.78	-43.42
COCCCN1C=NN=C1SCCC1=N[N-]N=N1	REAL250004570998	1	32	-1.0	-48.19	293.22	4.76	-43.43
C1=CC2=C(C=C1SCCC1=N[N-]N=N1)OCCCO2	REAL250004570999	0	32	-1.0	-37.76	279.60	4.70	-33.06
C1=CC2=C(C=C1SCCC1=NN=N[N-]1)OCCCO2	REAL250004570999	1	32	-1.0	-37.79	279.66	4.71	-33.08
CC1=CC(C)=C(C#N)C(SCCC2=N[N-]N=N2)=N1	REAL250004571000	0	29	-1.0	-41.85	274.76	4.64	-37.21
CC1=CC(C)=C(C#N)C(SCCC2=NN=N[N-]2)=N1	REAL250004571000	1	29	-1.0	-41.85	274.82	4.66	-37.19
C1=CC=C(C2=NC(SCCC3=N[N-]N=N3)=NN2)N=C1	REAL250004571001	0	28	-1.0	-43.65	271.52	2.99	-40.66
C1=CC=C(C2=NC(SCCC3=NN=N[N-]3)=NN2)N=C1	REAL250004571001	1	28	-1.0	-43.66	271.58	3.00	-40.66
C1=CC=C(C2=NNC(SCCC3=N[N-]N=N3)=N2)N=C1	REAL250004571001	1	28	-1.0	-46.90	271.02	3.04	-43.86
C1=CC=C(C2=NN=C(SCCC3=N[N-]N=N3)O2)C=C1	REAL250004571002	0	28	-1.0	-42.50	271.42	0.83	-41.67
C1=CC=C(C2=NN=C(SCCC3=NN=N[N-]3)O2)C=C1	REAL250004571002	1	28	-1.0	-42.49	271.48	0.85	-41.64
CC1=C(C2=NN=C(SCCC3=N[N-]N=N3)N2N)C=CO1	REAL250004571003	0	31	-1.0	-45.21	289.10	3.91	-41.30
CC1=C(C2=NN=C(SCCC3=NN=N[N-]3)N2N)C=CO1	REAL250004571003	1	31	-1.0	-45.20	289.16	3.92	-41.28
FC1=CC=CC=C1C1=NN=C(SCCC2=N[N-]N=N2)O1	REAL250004571004	0	28	-1.0	-44.25	275.92	0.92	-43.33
FC1=CC=CC=C1C1=NN=C(SCCC2=NN=N[N-]2)O1	REAL250004571004	1	28	-1.0	-44.24	275.98	0.93	-43.31
CC1=C(C2=NN=C(SCCC3=N[N-]N=N3)O2)C=CO1	REAL250004571005	0	28	-1.0	-42.02	271.52	-0.06	-42.08
CC1=C(C2=NN=C(SCCC3=NN=N[N-]3)O2)C=CO1	REAL250004571005	1	28	-1.0	-42.03	271.57	-0.05	-42.08
C(CC1=N[N-]N=N1)SC1=NN=C(C2CCCCC2)O1	REAL250004571006	0	34	-1.0	-40.53	295.95	1.06	-39.47
C(CC1=NN=N[N-]1)SC1=NN=C(C2CCCCC2)O1	REAL250004571006	1	34	-1.0	-40.56	296.01	1.08	-39.48
O=C1C2=CC=C([N+](=O)[O-])C=C2C(=O)N1CCC1=N[N-]N=N1	REAL250004571007	0	28	-1.0	-42.23	270.98	3.79	-38.44
O=C1C2=CC=C([N+](=O)[O-])C=C2C(=O)N1CCC1=NN=N[N-]1	REAL250004571007	1	28	-1.0	-42.20	271.04	3.80	-38.40
O=C1C(Cl)=C(Cl)C=NN1CCC1=N[N-]N=N1	REAL250004571008	0	21	-1.0	-40.00	228.63	1.90	-38.10
O=C1C(Cl)=C(Cl)C=NN1CCC1=NN=N[N-]1	REAL250004571008	1	21	-1.0	-40.01	228.69	1.92	-38.09
BrC1=CC=C(CSCCC2=N[N-]N=N2)C=C1	REAL250004571009	0	26	-1.0	-35.46	263.98	6.29	-29.17
BrC1=CC=C(CSCCC2=NN=N[N-]2)C=C1	REAL250004571009	1	26	-1.0	-35.47	264.04	6.31	-29.16
CC1=CC=C(C(C)(C)C)C=C1SCCC1=N[N-]N=N1	REAL250004571010	0	38	-1.0	-38.32	311.45	7.67	-30.65
CC1=CC=C(C(C)(C)C)C=C1SCCC1=NN=N[N-]1	REAL250004571010	1	38	-1.0	-38.32	311.51	7.68	-30.64
NN1C(SCCC2=N[N-]N=N2)=NN=C1C(F)(F)F	REAL250004571011	0	24	-1.0	-40.62	249.07	2.28	-38.34
NN1C(SCCC2=NN=N[N-]2)=NN=C1C(F)(F)F	REAL250004571011	1	24	-1.0	-40.65	249.12	2.30	-38.35
ClC1=CC=C2OC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004571012	0	25	-1.0	-37.73	259.04	2.26	-35.47
ClC1=CC=C2OC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004571012	1	25	-1.0	-37.73	258.98	2.24	-35.49
CCCCN1C(=O)NN=C1SCCC1=N[N-]N=N1	REAL250004571013	0	32	-1.0	-39.40	290.50	3.51	-35.89
CCCCN1C(=O)NN=C1SCCC1=NN=N[N-]1	REAL250004571013	1	32	-1.0	-39.41	290.55	3.53	-35.88
O=C1NN=C(SCCC2=N[N-]N=N2)N1CC1CCCO1	REAL250004571014	0	34	-1.0	-41.70	303.35	2.32	-39.38
O=C1NN=C(SCCC2=NN=N[N-]2)N1CC1CCCO1	REAL250004571014	1	34	-1.0	-41.71	303.41	2.33	-39.38
CCCC1=CC(=O)NC(SCCC2=N[N-]N=N2)=N1	REAL250004571015	0	31	-1.0	-38.52	283.62	3.16	-35.36
CCCC1=CC(=O)NC(SCCC2=NN=N[N-]2)=N1	REAL250004571015	1	31	-1.0	-38.50	283.68	3.17	-35.33
C1=NN=C(SCCC2=NN=N[N-]2)N1C1=CC=CC=C1	REAL250004571016	0	29	-1.0	-45.99	273.86	7.30	-38.69
C1=NN=C(SCCC2=N[N-]N=N2)N1C1=CC=CC=C1	REAL250004571016	1	29	-1.0	-45.96	273.80	7.29	-38.67
C1=CC2=NC=NC(SCCC3=NN=N[N-]3)=C2C=C1	REAL250004571017	0	27	-1.0	-42.28	253.49	5.09	-37.19
C1=CC2=NC=NC(SCCC3=N[N-]N=N3)=C2C=C1	REAL250004571017	1	27	-1.0	-42.26	253.44	5.07	-37.19
OC1=CC=C(N2N=NN=C2SCCC2=N[N-]N=N2)C=C1	REAL250004571018	0	29	-1.0	-43.04	277.66	1.33	-41.71
OC1=CC=C(N2N=NN=C2SCCC2=NN=N[N-]2)C=C1	REAL250004571018	1	29	-1.0	-43.04	277.72	1.35	-41.69
CC1=CC=C(C2=NN=C(SCCC3=N[N-]N=N3)O2)C=C1	REAL250004571019	0	31	-1.0	-42.16	292.82	1.51	-40.65
CC1=CC=C(C2=NN=C(SCCC3=NN=N[N-]3)O2)C=C1	REAL250004571019	1	31	-1.0	-42.20	292.88	1.52	-40.68
CC1=CC=C(C2=NC(SCCC3=N[N-]N=N3)=NN2)C=C1	REAL250004571020	0	32	-1.0	-42.37	296.24	5.48	-36.89
CC1=CC=C(C2=NC(SCCC3=NN=N[N-]3)=NN2)C=C1	REAL250004571020	1	32	-1.0	-42.41	296.30	5.49	-36.92
CC1=CC=C(N2N=NN=C2SCCC2=NN=N[N-]2)C=C1	REAL250004571021	0	31	-1.0	-42.59	288.27	4.86	-37.73
CC1=CC=C(N2N=NN=C2SCCC2=N[N-]N=N2)C=C1	REAL250004571021	1	31	-1.0	-42.56	288.21	4.84	-37.72
C1=CC=C2SC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004571022	0	25	-1.0	-41.86	252.03	4.45	-37.41
C1=CC=C2SC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004571022	1	25	-1.0	-41.84	251.97	4.44	-37.40
CC1=CC(C)=NC2=NN=C(SCCC3=N[N-]N=N3)N21	REAL250004571023	0	30	-1.0	-54.15	274.18	6.84	-47.31
CC1=CC(C)=NC2=NN=C(SCCC3=NN=N[N-]3)N21	REAL250004571023	1	30	-1.0	-54.19	274.24	6.86	-47.33
C1=CC(C2=NN=C(SCCC3=N[N-]N=N3)O2)=CC=N1	REAL250004571024	0	27	-1.0	-40.88	266.58	-0.96	-41.84
C1=CC(C2=NN=C(SCCC3=NN=N[N-]3)O2)=CC=N1	REAL250004571024	1	27	-1.0	-40.94	266.63	-0.94	-41.88
C1=CC2=CC=C(SCCC3=NN=N[N-]3)N=C2C=C1	REAL250004571025	0	28	-1.0	-45.14	260.63	5.39	-39.75
C1=CC2=CC=C(SCCC3=N[N-]N=N3)N=C2C=C1	REAL250004571025	1	28	-1.0	-45.15	260.57	5.37	-39.78
ClC1=CC=C(CSCCC2=N[N-]N=N2)C=C1	REAL250004571026	0	26	-1.0	-35.54	259.42	6.19	-29.35
ClC1=CC=C(CSCCC2=NN=N[N-]2)C=C1	REAL250004571026	1	26	-1.0	-35.53	259.47	6.20	-29.33
CC1=CC=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004571027	0	29	-1.0	-43.98	267.67	4.39	-39.59
CC1=CC=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004571027	1	29	-1.0	-43.99	267.61	4.37	-39.62
CC1=CC=C2N=C(SCCC3=NN=N[N-]3)NC2=C1	REAL250004571027	1	29	-1.0	-43.36	267.67	4.39	-38.97
CC1=CC=C2N=C(SCCC3=N[N-]N=N3)NC2=C1	REAL250004571027	1	29	-1.0	-43.34	267.62	4.37	-38.97
CCOC1=CC=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004571028	0	33	-1.0	-46.18	297.54	3.92	-42.26
CCOC1=CC=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004571028	1	33	-1.0	-46.23	297.60	3.94	-42.29
CC(C)(C)C1=NN=C(SCCC2=N[N-]N=N2)N1N	REAL250004571029	0	33	-1.0	-44.80	289.22	3.58	-41.22
CC(C)(C)C1=NN=C(SCCC2=NN=N[N-]2)N1N	REAL250004571029	1	33	-1.0	-44.78	289.28	3.60	-41.18
C(CC1=N[N-]N=N1)SC1=NN=C2CCCCCN21	REAL250004571030	0	32	-1.0	-46.67	271.95	5.25	-41.42
C(CC1=NN=N[N-]1)SC1=NN=C2CCCCCN21	REAL250004571030	1	32	-1.0	-46.68	272.01	5.27	-41.41
C1=CN(CC2=CC=CC=C2)C(SCCC2=NN=N[N-]2)=N1	REAL250004571031	0	33	-1.0	-44.56	300.35	7.20	-37.36
C1=CN(CC2=CC=CC=C2)C(SCCC2=N[N-]N=N2)=N1	REAL250004571031	1	33	-1.0	-44.55	300.29	7.19	-37.36
C1=C(C2=CC=CC=C2)N=C(SCCC2=NN=N[N-]2)S1	REAL250004571032	0	29	-1.0	-37.96	281.72	5.53	-32.43
C1=C(C2=CC=CC=C2)N=C(SCCC2=N[N-]N=N2)S1	REAL250004571032	1	29	-1.0	-37.93	281.67	5.51	-32.42
C1=CC2=C(C=C1SCCC1=N[N-]N=N1)OCCO2	REAL250004571033	0	29	-1.0	-38.36	261.28	3.90	-34.46
C1=CC2=C(C=C1SCCC1=NN=N[N-]1)OCCO2	REAL250004571033	1	29	-1.0	-38.35	261.33	3.92	-34.43
C1=CSC(C2=NN=C(SCCC3=N[N-]N=N3)O2)=C1	REAL250004571034	0	25	-1.0	-42.14	262.26	-0.15	-42.29
C1=CSC(C2=NN=C(SCCC3=NN=N[N-]3)O2)=C1	REAL250004571034	1	25	-1.0	-42.18	262.32	-0.14	-42.32
CC1=C(C)C2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL250004571035	0	30	-1.0	-41.63	280.54	5.34	-36.29
CC1=C(C)C2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL250004571035	1	30	-1.0	-41.68	280.60	5.36	-36.32
CC1=CC(SCCC2=NN=N[N-]2)=NC2=CC=CC=C12	REAL250004571036	0	31	-1.0	-45.38	278.55	5.92	-39.46
CC1=CC(SCCC2=N[N-]N=N2)=NC2=CC=CC=C12	REAL250004571036	1	31	-1.0	-45.36	278.49	5.91	-39.45
C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL250004571037	0	24	-1.0	-40.57	245.85	4.27	-36.30
C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL250004571037	1	24	-1.0	-40.55	245.79	4.26	-36.29
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=NC=C1	REAL250004571038	0	31	-1.0	-47.33	285.17	4.72	-42.61
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=NC=C1	REAL250004571038	1	31	-1.0	-47.37	285.23	4.74	-42.63
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL250004571039	0	32	-1.0	-48.30	290.25	6.51	-41.79
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL250004571039	1	32	-1.0	-48.31	290.31	6.52	-41.79
CC1=NN=C(SCCC2=NN=N[N-]2)N1C1=CC=CC=C1	REAL250004571040	0	32	-1.0	-46.80	296.05	7.21	-39.59
CC1=NN=C(SCCC2=N[N-]N=N2)N1C1=CC=CC=C1	REAL250004571040	1	32	-1.0	-46.79	295.99	7.19	-39.60
C=CCN1C(C)=NN=C1SCCC1=N[N-]N=N1	REAL250004571041	0	29	-1.0	-47.33	271.56	5.29	-42.04
C=CCN1C(C)=NN=C1SCCC1=NN=N[N-]1	REAL250004571041	1	29	-1.0	-47.35	271.62	5.31	-42.04
C=CCN1C(SCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004571042	0	33	-1.0	-47.49	302.35	6.77	-40.72
C=CCN1C(SCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004571042	1	33	-1.0	-47.46	302.41	6.78	-40.68
CCOC(=O)CC1=CSC(SCCC2=N[N-]N=N2)=N1	REAL250004571043	0	31	-1.0	-43.02	300.98	4.23	-38.79
CCOC(=O)CC1=CSC(SCCC2=NN=N[N-]2)=N1	REAL250004571043	1	31	-1.0	-43.01	301.04	4.24	-38.77
CC1=CC=CC(N2N=NN=C2SCCC2=NN=N[N-]2)=C1	REAL250004571044	0	31	-1.0	-43.02	288.11	4.86	-38.16
CC1=CC=CC(N2N=NN=C2SCCC2=N[N-]N=N2)=C1	REAL250004571044	1	31	-1.0	-43.04	288.05	4.85	-38.19
CN(C)S(=O)(=O)C1=CN(CCC2=N[N-]N=N2)C(=O)C=C1	REAL250004571045	0	33	-1.0	-46.17	297.56	0.49	-45.68
CN(C)S(=O)(=O)C1=CN(CCC2=NN=N[N-]2)C(=O)C=C1	REAL250004571045	1	33	-1.0	-46.21	297.62	0.50	-45.71
CN1C(=O)C2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004571046	0	31	-1.0	-41.66	282.37	5.01	-36.65
CN1C(=O)C2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004571046	1	31	-1.0	-41.63	282.31	5.00	-36.63
FC1=CC=CC=C1N1C=NN=C1SCCC1=NN=N[N-]1	REAL250004571047	0	29	-1.0	-48.79	282.22	7.52	-41.27
FC1=CC=CC=C1N1C=NN=C1SCCC1=N[N-]N=N1	REAL250004571047	1	29	-1.0	-48.79	282.16	7.50	-41.29
COC1=CC=CC(C2=NN(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004571048	0	31	-1.0	-37.87	278.84	2.49	-35.38
COC1=CC=CC(C2=NN(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004571048	1	31	-1.0	-37.91	278.78	2.47	-35.44
C1=CC=C(CC2=NN=C(SCCC3=N[N-]N=N3)O2)C=C1	REAL250004571049	0	31	-1.0	-41.82	293.41	1.57	-40.25
C1=CC=C(CC2=NN=C(SCCC3=NN=N[N-]3)O2)C=C1	REAL250004571049	1	31	-1.0	-41.80	293.47	1.58	-40.22
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CN=C1	REAL250004571050	0	31	-1.0	-49.61	285.03	4.74	-44.87
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CN=C1	REAL250004571050	1	31	-1.0	-49.62	285.09	4.75	-44.87
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004571051	0	29	-1.0	-47.48	267.73	5.32	-42.16
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004571051	1	29	-1.0	-47.47	267.79	5.33	-42.14
CC1=C(C2=NN=C(SCCC3=N[N-]N=N3)N2C)C=CO1	REAL250004571052	0	32	-1.0	-46.92	299.80	5.56	-41.36
CC1=C(C2=NN=C(SCCC3=NN=N[N-]3)N2C)C=CO1	REAL250004571052	1	32	-1.0	-46.93	299.86	5.58	-41.35
CN1C(=O)C2=C(N=C1SCCC1=NN=N[N-]1)SC=C2	REAL250004571053	0	28	-1.0	-41.47	273.17	4.08	-37.39
CN1C(=O)C2=C(N=C1SCCC1=N[N-]N=N1)SC=C2	REAL250004571053	1	28	-1.0	-41.44	273.11	4.07	-37.37
C1=CN=CC(C2=NN=C(SCCC3=N[N-]N=N3)O2)=C1	REAL250004571054	0	27	-1.0	-41.78	266.40	-0.94	-42.72
C1=CN=CC(C2=NN=C(SCCC3=NN=N[N-]3)O2)=C1	REAL250004571054	1	27	-1.0	-41.83	266.46	-0.92	-42.75
BrC1=CC=C(SCCC2=N[N-]N=N2)C=C1	REAL250004571055	0	23	-1.0	-34.80	238.07	5.39	-29.41
BrC1=CC=C(SCCC2=NN=N[N-]2)C=C1	REAL250004571055	1	23	-1.0	-34.80	238.13	5.40	-29.40
O=C1C2=CC=CC=C2S(=O)(=O)N1CCC1=N[N-]N=N1	REAL250004571056	0	27	-1.0	-47.92	259.58	0.22	-47.70
O=C1C2=CC=CC=C2S(=O)(=O)N1CCC1=NN=N[N-]1	REAL250004571056	1	27	-1.0	-47.91	259.63	0.23	-47.68
CN1C2=C(C(=O)N(C)C1=O)N(CCC1=NN=N[N-]1)C=N2	REAL250004571057	0	31	-1.0	-42.61	271.54	4.21	-38.40
CN1C2=C(C(=O)N(C)C1=O)N(CCC1=N[N-]N=N1)C=N2	REAL250004571057	1	31	-1.0	-42.60	271.48	4.20	-38.40
CC1=CC=CC(N2C=CN=C2SCCC2=NN=N[N-]2)=C1	REAL250004571058	0	33	-1.0	-43.70	300.05	7.35	-36.35
CC1=CC=CC(N2C=CN=C2SCCC2=N[N-]N=N2)=C1	REAL250004571058	1	33	-1.0	-43.68	299.99	7.33	-36.35
ClC1=CC=C(Cl)C(SCCC2=N[N-]N=N2)=C1	REAL250004571059	0	23	-1.0	-36.17	248.52	5.73	-30.44
ClC1=CC=C(Cl)C(SCCC2=NN=N[N-]2)=C1	REAL250004571059	1	23	-1.0	-36.15	248.58	5.75	-30.40
FC1=CC=CC(C2=NN(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004571060	0	27	-1.0	-36.48	255.77	3.25	-33.23
FC1=CC=CC(C2=NN(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004571060	1	27	-1.0	-36.44	255.71	3.24	-33.20
FC(F)(F)C1=CC=C(SCCC2=NN=N[N-]2)N=C1	REAL250004571061	0	25	-1.0	-38.66	253.80	4.14	-34.52
FC(F)(F)C1=CC=C(SCCC2=N[N-]N=N2)N=C1	REAL250004571061	1	25	-1.0	-38.62	253.74	4.12	-34.50
OC1=CC=CC=C1C1=NC(SCCC2=N[N-]N=N2)=NN1	REAL250004571062	0	30	-1.0	-44.56	283.63	2.36	-42.20
OC1=CC=CC=C1C1=NC(SCCC2=NN=N[N-]2)=NN1	REAL250004571062	1	30	-1.0	-44.56	283.69	2.37	-42.19
FC(F)(F)C1=CC=NC(SCCC2=NN=N[N-]2)=N1	REAL250004571063	0	24	-1.0	-38.92	249.12	3.35	-35.57
FC(F)(F)C1=CC=NC(SCCC2=N[N-]N=N2)=N1	REAL250004571063	1	24	-1.0	-38.89	249.07	3.33	-35.56
C(CC1=NN=N[N-]1)SC1=NN=C(NC2CC2)S1	REAL250004571064	0	27	-1.0	-42.47	270.53	2.72	-39.75
C(CC1=N[N-]N=N1)SC1=NN=C(NC2CC2)S1	REAL250004571064	1	27	-1.0	-42.45	270.47	2.70	-39.75
C1=NN(CC2=NN=C(SCCC3=N[N-]N=N3)O2)C=N1	REAL250004571065	0	27	-1.0	-49.58	269.16	0.22	-49.36
C1=NN(CC2=NN=C(SCCC3=NN=N[N-]3)O2)C=N1	REAL250004571065	1	27	-1.0	-49.59	269.21	0.24	-49.35
CN1C(C2=CC=CC=C2)=CN=C1SCCC1=NN=N[N-]1	REAL250004571066	0	33	-1.0	-43.62	294.05	6.59	-37.03
CN1C(C2=CC=CC=C2)=CN=C1SCCC1=N[N-]N=N1	REAL250004571066	1	33	-1.0	-43.64	294.00	6.58	-37.06
O=C1C2=CC=CC=C2S(=O)(=O)N1CCC1=N[N-]N=N1	REAL250004571067	0	27	-1.0	-47.92	259.58	0.22	-47.70
O=C1C2=CC=CC=C2S(=O)(=O)N1CCC1=NN=N[N-]1	REAL250004571067	1	27	-1.0	-47.91	259.63	0.23	-47.68
FC1=CC=C(SCCC2=N[N-]N=N2)C=C1Cl	REAL250004571068	0	23	-1.0	-36.50	239.36	5.33	-31.17
FC1=CC=C(SCCC2=NN=N[N-]2)C=C1Cl	REAL250004571068	1	23	-1.0	-36.53	239.42	5.34	-31.19
CC1=C(C#N)C(SCCC2=N[N-]N=N2)=NC2=C1CCC2	REAL250004571069	0	33	-1.0	-42.18	297.15	5.83	-36.35
CC1=C(C#N)C(SCCC2=NN=N[N-]2)=NC2=C1CCC2	REAL250004571069	1	33	-1.0	-42.20	297.21	5.85	-36.35
CCOC(=O)C1=CN=C(SCCC2=NN=N[N-]2)N=C1N	REAL250004571070	0	32	-1.0	-38.41	296.13	2.91	-35.50
CCOC(=O)C1=CN=C(SCCC2=N[N-]N=N2)N=C1N	REAL250004571070	1	32	-1.0	-38.38	296.07	2.90	-35.48
COC(=O)C1=CC=C(OCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004571071	0	31	-1.0	-39.30	287.16	5.22	-34.08
COC(=O)C1=CC=C(OCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004571071	1	31	-1.0	-39.33	287.22	5.24	-34.09
N#CC1=CC(C#N)=C(SCCC2=NN=N[N-]2)N=C1N	REAL250004571072	0	26	-1.0	-38.32	267.71	2.69	-35.63
N#CC1=CC(C#N)=C(SCCC2=N[N-]N=N2)N=C1N	REAL250004571072	1	26	-1.0	-38.35	267.65	2.67	-35.68
CC1=CC=CC=C1N1C=CN=C1SCCC1=NN=N[N-]1	REAL250004571073	0	33	-1.0	-43.42	295.02	7.05	-36.37
CC1=CC=CC=C1N1C=CN=C1SCCC1=N[N-]N=N1	REAL250004571073	1	33	-1.0	-43.44	294.97	7.04	-36.40
CC1=C(C)N(CC(C)C)C(SCCC2=N[N-]N=N2)=N1	REAL250004571074	0	38	-1.0	-44.59	317.95	6.25	-38.34
CC1=C(C)N(CC(C)C)C(SCCC2=NN=N[N-]2)=N1	REAL250004571074	1	38	-1.0	-44.59	318.00	6.27	-38.32
C(CC1=N[N-]N=N1)SC1=NN=C(C2CC2)N1C1CC1	REAL250004571075	0	33	-1.0	-49.13	292.37	6.45	-42.68
C(CC1=NN=N[N-]1)SC1=NN=C(C2CC2)N1C1CC1	REAL250004571075	1	33	-1.0	-49.14	292.43	6.47	-42.67
CCN1C(SCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004571076	0	32	-1.0	-47.29	289.53	6.22	-41.07
CCN1C(SCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004571076	1	32	-1.0	-47.30	289.59	6.24	-41.06
CN1C(CCC(N)=O)=NN=C1SCCC1=N[N-]N=N1	REAL250004571077	0	32	-1.0	-49.87	295.11	1.26	-48.61
CN1C(CCC(N)=O)=NN=C1SCCC1=NN=N[N-]1	REAL250004571077	1	32	-1.0	-49.87	295.16	1.28	-48.59
CCCNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004571078	0	29	-1.0	-42.41	281.77	2.59	-39.82
CCCNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004571078	1	29	-1.0	-42.43	281.71	2.58	-39.85
FC1=CC=C(C2=CNC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL250004571079	0	30	-1.0	-45.67	285.24	5.31	-40.36
FC1=CC=C(C2=CNC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL250004571079	1	30	-1.0	-45.67	285.30	5.33	-40.34
O=C1N(CCC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004571080	0	28	-1.0	-38.69	255.50	2.84	-35.85
O=C1N(CCC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004571080	1	28	-1.0	-38.66	255.44	2.82	-35.84
CS(=O)(=O)C1=NC2=CC=CC=C2N1CCC1=NN=N[N-]1	REAL250004571081	0	31	-1.0	-47.43	281.22	1.73	-45.70
CS(=O)(=O)C1=NC2=CC=CC=C2N1CCC1=N[N-]N=N1	REAL250004571081	1	31	-1.0	-47.43	281.16	1.72	-45.71
CC(C)(C)N1N=NN=C1SCCC1=NN=N[N-]1	REAL250004571082	0	30	-1.0	-42.86	265.63	2.57	-40.29
CC(C)(C)N1N=NN=C1SCCC1=N[N-]N=N1	REAL250004571082	1	30	-1.0	-42.82	265.58	2.56	-40.26
C(CC1=NN=N[N-]1)SC1=NN=NN1CC1CCCO1	REAL250004571083	0	32	-1.0	-43.99	289.52	2.05	-41.94
C(CC1=N[N-]N=N1)SC1=NN=NN1CC1CCCO1	REAL250004571083	1	32	-1.0	-44.00	289.46	2.04	-41.96
BrC1=CC=CC=C1SCCC1=N[N-]N=N1	REAL250004571084	0	23	-1.0	-36.57	235.98	5.32	-31.25
BrC1=CC=CC=C1SCCC1=NN=N[N-]1	REAL250004571084	1	23	-1.0	-36.59	236.04	5.33	-31.26
C(CC1=N[N-]N=N1)SC12CC3CC(CC(C3)C1)C2	REAL250004571085	0	37	-1.0	-37.03	279.40	6.75	-30.28
C(CC1=NN=N[N-]1)SC12CC3CC(CC(C3)C1)C2	REAL250004571085	1	37	-1.0	-37.04	279.45	6.76	-30.28
C1=CSC(CN2N=NN=C2SCCC2=NN=N[N-]2)=C1	REAL250004571086	0	28	-1.0	-41.45	283.49	3.89	-37.56
C1=CSC(CN2N=NN=C2SCCC2=N[N-]N=N2)=C1	REAL250004571086	1	28	-1.0	-41.41	283.43	3.88	-37.53
C(CC1=NN=N[N-]1)SC1=NN=NN1C1CCCCC1	REAL250004571087	0	34	-1.0	-40.93	295.33	4.36	-36.57
C(CC1=N[N-]N=N1)SC1=NN=NN1C1CCCCC1	REAL250004571087	1	34	-1.0	-40.93	295.27	4.34	-36.59
C1=CC=C2N=C(SCCC3=N[N-]N=N3)SCC2=C1	REAL250004571088	0	28	-1.0	-42.46	269.56	5.22	-37.24
C1=CC=C2N=C(SCCC3=NN=N[N-]3)SCC2=C1	REAL250004571088	1	28	-1.0	-42.46	269.62	5.23	-37.23
O=C1OC(C2=CC=CS2)=NN1CCC1=NN=N[N-]1	REAL250004571089	0	25	-1.0	-40.57	252.11	0.90	-39.67
O=C1OC(C2=CC=CS2)=NN1CCC1=N[N-]N=N1	REAL250004571089	1	25	-1.0	-40.60	252.06	0.89	-39.71
COC(=O)C1=C(SCCC2=N[N-]N=N2)NC(=O)N=C1C	REAL250004571090	0	31	-1.0	-43.84	283.24	0.93	-42.91
COC(=O)C1=C(SCCC2=NN=N[N-]2)NC(=O)N=C1C	REAL250004571090	1	31	-1.0	-43.83	283.30	0.95	-42.88
C1=CNC(C2=NN=C(SCCC3=N[N-]N=N3)O2)=C1	REAL250004571091	0	26	-1.0	-42.56	256.85	-1.48	-44.04
C1=CNC(C2=NN=C(SCCC3=NN=N[N-]3)O2)=C1	REAL250004571091	1	26	-1.0	-42.60	256.90	-1.47	-44.07
FC(F)N1C2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004571092	0	29	-1.0	-44.41	275.53	5.34	-39.07
FC(F)N1C2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004571092	1	29	-1.0	-44.39	275.47	5.33	-39.06
CN1C(=O)C2=C(C=CS2)N=C1SCCC1=NN=N[N-]1	REAL250004571093	0	28	-1.0	-42.02	273.68	4.05	-37.97
CN1C(=O)C2=C(C=CS2)N=C1SCCC1=N[N-]N=N1	REAL250004571093	1	28	-1.0	-42.01	273.62	4.04	-37.97
C(CC1=NN=N[N-]1)SC1=NN=NN1C1CCCC1	REAL250004571094	0	31	-1.0	-41.60	276.96	3.80	-37.80
C(CC1=N[N-]N=N1)SC1=NN=NN1C1CCCC1	REAL250004571094	1	31	-1.0	-41.60	276.90	3.79	-37.81
CCNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004571095	0	26	-1.0	-42.62	260.27	1.83	-40.79
CCNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004571095	1	26	-1.0	-42.59	260.21	1.81	-40.78
CC(C)CNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004571096	0	32	-1.0	-42.22	300.65	3.30	-38.92
CC(C)CNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004571096	1	32	-1.0	-42.18	300.59	3.28	-38.90
O=C1OC(C2=CC=C(F)C=C2)=NN1CCC1=NN=N[N-]1	REAL250004571097	0	28	-1.0	-38.67	267.55	1.97	-36.70
O=C1OC(C2=CC=C(F)C=C2)=NN1CCC1=N[N-]N=N1	REAL250004571097	1	28	-1.0	-38.68	267.49	1.95	-36.73
CC(C)CN1N=NN=C1SCCC1=NN=N[N-]1	REAL250004571098	0	30	-1.0	-41.78	268.62	2.71	-39.07
CC(C)CN1N=NN=C1SCCC1=N[N-]N=N1	REAL250004571098	1	30	-1.0	-41.78	268.56	2.70	-39.08
FC1=CC=C(C2=NN(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004571099	0	27	-1.0	-34.51	255.76	3.25	-31.26
FC1=CC=C(C2=NN(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004571099	1	27	-1.0	-34.50	255.71	3.24	-31.26
C1=CC2=NC=NC(SCCC3=NN=N[N-]3)=C2S1	REAL250004571100	0	24	-1.0	-40.96	245.63	4.24	-36.72
C1=CC2=NC=NC(SCCC3=N[N-]N=N3)=C2S1	REAL250004571100	1	24	-1.0	-40.96	245.58	4.22	-36.74
CCOC1=CC=C(SCCC2=N[N-]N=N2)C=C1	REAL250004571101	0	30	-1.0	-36.55	268.11	4.98	-31.57
CCOC1=CC=C(SCCC2=NN=N[N-]2)C=C1	REAL250004571101	1	30	-1.0	-36.55	268.17	4.99	-31.56
CSCC1=NN=C(SCCC2=N[N-]N=N2)O1	REAL250004571102	0	25	-1.0	-42.44	256.74	-1.01	-43.45
CSCC1=NN=C(SCCC2=NN=N[N-]2)O1	REAL250004571102	1	25	-1.0	-42.42	256.79	-0.99	-43.41
O=C1C(Cl)=CC(C(F)(F)F)=CN1CCC1=N[N-]N=N1	REAL250004571103	0	25	-1.0	-39.83	256.67	4.09	-35.74
O=C1C(Cl)=CC(C(F)(F)F)=CN1CCC1=NN=N[N-]1	REAL250004571103	1	25	-1.0	-39.85	256.72	4.10	-35.75
C=CCNC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004571104	0	27	-1.0	-42.20	273.08	2.37	-39.83
C=CCNC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004571104	1	27	-1.0	-42.18	273.02	2.36	-39.82
COCCCN1C(=O)NN=C1SCCC1=N[N-]N=N1	REAL250004571105	0	33	-1.0	-41.28	302.67	1.80	-39.48
COCCCN1C(=O)NN=C1SCCC1=NN=N[N-]1	REAL250004571105	1	33	-1.0	-41.29	302.73	1.82	-39.47
CC(C)(C)C1=CC=C(SCCC2=N[N-]N=N2)C=C1	REAL250004571106	0	35	-1.0	-36.65	292.93	7.08	-29.57
CC(C)(C)C1=CC=C(SCCC2=NN=N[N-]2)C=C1	REAL250004571106	1	35	-1.0	-36.69	292.99	7.10	-29.59
CC(=O)NC1=CC=C(SCCC2=N[N-]N=N2)C=C1	REAL250004571107	0	30	-1.0	-45.94	273.15	3.64	-42.30
CC(=O)NC1=CC=C(SCCC2=NN=N[N-]2)C=C1	REAL250004571107	1	30	-1.0	-45.93	273.21	3.65	-42.28
C1=CC=C(N2N=NN=C2SCCC2=NN=N[N-]2)C=C1	REAL250004571108	0	28	-1.0	-43.24	266.85	4.18	-39.06
C1=CC=C(N2N=NN=C2SCCC2=N[N-]N=N2)C=C1	REAL250004571108	1	28	-1.0	-43.22	266.79	4.17	-39.05
CN1C(SCCC2=N[N-]N=N2)=NN=C1C1=CC=CS1	REAL250004571109	0	29	-1.0	-46.46	281.86	5.62	-40.84
CN1C(SCCC2=NN=N[N-]2)=NN=C1C1=CC=CS1	REAL250004571109	1	29	-1.0	-46.43	281.92	5.64	-40.79
FC1=CC=C(C2=CN=C(SCCC3=NN=N[N-]3)O2)C=C1	REAL250004571110	0	29	-1.0	-39.25	281.45	3.49	-35.76
FC1=CC=C(C2=CN=C(SCCC3=N[N-]N=N3)O2)C=C1	REAL250004571110	1	29	-1.0	-39.28	281.39	3.48	-35.80
CC1=CC=CC=C1C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571111	0	33	-1.0	-39.89	286.76	8.12	-31.77
CC1=CC=CC=C1C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571111	1	33	-1.0	-40.14	288.29	8.09	-32.05
C1=CC=C(CC2=NN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571112	0	28	-1.0	-38.26	272.44	0.82	-37.44
C1=CC=C(CC2=NN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571112	1	28	-1.0	-37.97	272.02	0.83	-37.14
ClC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571113	0	24	-1.0	-36.44	245.64	4.25	-32.19
ClC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571113	1	24	-1.0	-36.32	245.23	4.25	-32.07
ClC1=CC=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571114	0	24	-1.0	-37.44	245.64	4.24	-33.20
ClC1=CC=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571114	1	24	-1.0	-37.39	245.23	4.25	-33.14
ClC1=CC=C(OCCSC2=N[N-]N=N2)C(Cl)=C1	REAL250004571115	0	24	-1.0	-37.46	261.67	4.80	-32.66
ClC1=CC=C(OCCSC2=NN=N[N-]2)C(Cl)=C1	REAL250004571115	1	24	-1.0	-37.42	261.26	4.80	-32.62
C1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004571116	0	26	-1.0	-41.77	255.19	2.54	-39.23
C1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004571116	1	26	-1.0	-42.02	255.60	2.54	-39.48
CC(SC1=N[N-]N=N1)C(=O)NCC(F)(F)F	REAL250004571117	0	23	-1.0	-37.92	235.15	0.65	-37.27
CC(SC1=NN=N[N-]1)C(=O)NCC(F)(F)F	REAL250004571117	1	23	-1.0	-37.39	234.20	0.65	-36.74
O=C(CSC1=N[N-]N=N1)NCC1=CC=CS1	REAL250004571118	0	24	-1.0	-38.98	248.59	1.61	-37.37
O=C(CSC1=NN=N[N-]1)NCC1=CC=CS1	REAL250004571118	1	24	-1.0	-38.54	248.18	1.62	-36.92
CCC1=CC=CC(C)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571119	0	33	-1.0	-39.62	289.39	4.82	-34.80
CCC1=CC=CC(C)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571119	1	33	-1.0	-39.18	288.97	4.83	-34.35
CC1=C(C)C2=C(NC(CSC3=NN=N[N-]3)=NC2=O)S1	REAL250004571120	0	28	-1.0	-47.25	270.90	2.63	-44.62
CC1=C(C)C2=C(NC(CSC3=N[N-]N=N3)=NC2=O)S1	REAL250004571120	1	28	-1.0	-47.98	271.32	2.63	-45.35
CCN1C(C)=CC(C(=O)CSC2=NN=N[N-]2)=C1C	REAL250004571121	0	32	-1.0	-42.75	285.51	5.55	-37.20
CCN1C(C)=CC(C(=O)CSC2=N[N-]N=N2)=C1C	REAL250004571121	1	32	-1.0	-43.02	285.92	5.54	-37.48
CC(SC1=NN=N[N-]1)C(=O)NC1=CC2=CC=CC=C2C=C1	REAL250004571122	0	33	-1.0	-40.71	294.83	5.38	-35.33
CC(SC1=N[N-]N=N1)C(=O)NC1=CC2=CC=CC=C2C=C1	REAL250004571122	1	33	-1.0	-41.22	295.78	5.38	-35.84
CC(C#N)(NC(=O)CSC1=N[N-]N=N1)C1CC1	REAL250004571123	0	28	-1.0	-44.57	259.03	1.55	-43.02
CC(C#N)(NC(=O)CSC1=NN=N[N-]1)C1CC1	REAL250004571123	1	28	-1.0	-44.03	258.62	1.56	-42.47
CCCN1C(C)=CC(C(=O)CSC2=N[N-]N=N2)=C1C	REAL250004571124	0	35	-1.0	-42.56	307.43	6.31	-36.25
CCCN1C(C)=CC(C(=O)CSC2=NN=N[N-]2)=C1C	REAL250004571124	1	35	-1.0	-42.28	307.02	6.32	-35.96
COC1=CC=C(CN(C)C(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571125	0	34	-1.0	-42.44	305.05	3.96	-38.48
COC1=CC=C(CN(C)C(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571125	1	34	-1.0	-41.94	304.64	3.97	-37.97
C1=C(C2=CC=CC=C2)OC(CSC2=NN=N[N-]2)=N1	REAL250004571126	0	26	-1.0	-39.59	253.72	2.62	-36.97
C1=C(C2=CC=CC=C2)OC(CSC2=N[N-]N=N2)=N1	REAL250004571126	1	26	-1.0	-39.81	254.13	2.61	-37.20
COC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571127	0	28	-1.0	-38.41	258.41	3.01	-35.40
COC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571127	1	28	-1.0	-38.35	258.00	3.01	-35.34
CC1=CC=C(C)C(OCCSC2=N[N-]N=N2)=C1	REAL250004571128	0	30	-1.0	-38.01	270.39	5.15	-32.86
CC1=CC=C(C)C(OCCSC2=NN=N[N-]2)=C1	REAL250004571128	1	30	-1.0	-37.98	269.98	5.15	-32.83
O=C(CSC1=NN=N[N-]1)N1CC(=O)NC2=CC=CC=C21	REAL250004571129	0	29	-1.0	-42.22	267.59	1.88	-40.34
O=C(CSC1=N[N-]N=N1)N1CC(=O)NC2=CC=CC=C21	REAL250004571129	1	29	-1.0	-42.58	268.00	1.87	-40.71
O=C(CSC1=N[N-]N=N1)NNC(=O)C1=CC=CC=C1	REAL250004571130	0	28	-1.0	-41.26	271.18	1.23	-40.03
O=C(CSC1=NN=N[N-]1)NNC(=O)C1=CC=CC=C1	REAL250004571130	1	28	-1.0	-40.91	270.77	1.24	-39.67
O=C(CSC1=N[N-]N=N1)NNC(=O)C1=CC=C(F)C=C1	REAL250004571131	0	28	-1.0	-39.99	277.57	1.30	-38.69
O=C(CSC1=NN=N[N-]1)NNC(=O)C1=CC=C(F)C=C1	REAL250004571131	1	28	-1.0	-39.60	277.16	1.31	-38.29
CC1=CC=C(C(=O)NNC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571132	0	31	-1.0	-41.08	292.57	1.91	-39.17
CC1=CC=C(C(=O)NNC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571132	1	31	-1.0	-40.77	292.16	1.92	-38.85
ClC1=CC=CC=C1C1=NN=C(CSC2=N[N-]N=N2)O1	REAL250004571133	0	25	-1.0	-40.59	262.86	0.60	-39.99
ClC1=CC=CC=C1C1=NN=C(CSC2=NN=N[N-]2)O1	REAL250004571133	1	25	-1.0	-40.31	262.44	0.61	-39.70
COC1=CC=C2C(CSC3=NN=N[N-]3)=CC(=O)OC2=C1	REAL250004571134	0	29	-1.0	-37.92	272.06	4.81	-33.11
COC1=CC=C2C(CSC3=N[N-]N=N3)=CC(=O)OC2=C1	REAL250004571134	1	29	-1.0	-38.20	272.49	4.80	-33.40
CC1=CC(C(=O)CSC2=NN=N[N-]2)=C(C)N1C	REAL250004571135	0	29	-1.0	-43.07	263.76	4.69	-38.38
CC1=CC(C(=O)CSC2=N[N-]N=N2)=C(C)N1C	REAL250004571135	1	29	-1.0	-43.34	264.17	4.68	-38.66
CCC1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571136	0	30	-1.0	-40.08	275.46	3.84	-36.24
CCC1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571136	1	30	-1.0	-39.62	275.05	3.84	-35.78
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COC(=O)C1=C(C)OC(CSC2=N[N-]N=N2)=C1	REAL250004571147	0	26	-1.0	-38.08	254.92	3.72	-34.36
COC(=O)C1=C(C)OC(CSC2=NN=N[N-]2)=C1	REAL250004571147	1	26	-1.0	-37.77	254.51	3.72	-34.05
CCOC1=CC=C(C(C)=O)C=C1CSC1=NN=N[N-]1	REAL250004571148	0	32	-1.0	-49.05	291.11	4.94	-44.11
CCOC1=CC=C(C(C)=O)C=C1CSC1=N[N-]N=N1	REAL250004571148	1	32	-1.0	-49.21	291.52	4.93	-44.28
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CC=C1	REAL250004571149	0	30	-1.0	-39.59	275.60	3.20	-36.39
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CC=C1	REAL250004571149	1	30	-1.0	-39.12	274.65	3.20	-35.92
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CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C2OCOC2=C1	REAL250004571152	0	30	-1.0	-44.10	275.75	1.76	-42.34
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C2OCOC2=C1	REAL250004571152	1	30	-1.0	-43.50	274.80	1.76	-41.74
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC(C#N)=C1	REAL250004571153	0	28	-1.0	-45.17	270.53	3.49	-41.68
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC(C#N)=C1	REAL250004571153	1	28	-1.0	-44.61	269.57	3.49	-41.12
CC(SC1=N[N-]N=N1)C(=O)N(C)CC1=CC=CC=C1	REAL250004571154	0	33	-1.0	-41.46	289.93	5.22	-36.24
CC(SC1=NN=N[N-]1)C(=O)N(C)CC1=CC=CC=C1	REAL250004571154	1	33	-1.0	-40.96	288.97	5.22	-35.74
CC(SC1=N[N-]N=N1)C(=O)N1CCC2=CC=CC=C2C1	REAL250004571155	0	34	-1.0	-40.45	289.37	5.36	-35.09
CC(SC1=NN=N[N-]1)C(=O)N1CCC2=CC=CC=C2C1	REAL250004571155	1	34	-1.0	-39.95	288.42	5.37	-34.58
CC(SC1=NN=N[N-]1)C(=O)N1C2=CC=CC=C2CC1C	REAL250004571156	0	34	-1.0	-41.12	281.49	5.53	-35.59
CC(SC1=N[N-]N=N1)C(=O)N1C2=CC=CC=C2CC1C	REAL250004571156	1	34	-1.0	-41.42	282.44	5.53	-35.89
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CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1C#N	REAL250004571175	0	28	-1.0	-40.50	268.04	3.56	-36.94
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1C#N	REAL250004571175	1	28	-1.0	-40.85	268.99	3.56	-37.29
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC2=CC=CC=C21	REAL250004571176	0	33	-1.0	-40.50	291.31	5.49	-35.01
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC2=CC=CC=C21	REAL250004571176	1	33	-1.0	-40.85	292.26	5.49	-35.36
CC(SC1=NN=N[N-]1)C(=O)N1CCC2=CC=CC=C21	REAL250004571177	0	31	-1.0	-41.75	269.90	5.17	-36.58
CC(SC1=N[N-]N=N1)C(=O)N1CCC2=CC=CC=C21	REAL250004571177	1	31	-1.0	-42.23	270.85	5.17	-37.06
CC(SC1=N[N-]N=N1)C(=O)NCC1CCCCC1	REAL250004571178	0	36	-1.0	-38.87	297.85	3.61	-35.26
CC(SC1=NN=N[N-]1)C(=O)NCC1CCCCC1	REAL250004571178	1	36	-1.0	-38.36	296.89	3.61	-34.75
CC(SC1=N[N-]N=N1)C(=O)NCC1CCCO1	REAL250004571179	0	31	-1.0	-40.98	272.90	0.49	-40.49
CC(SC1=NN=N[N-]1)C(=O)NCC1CCCO1	REAL250004571179	1	31	-1.0	-40.55	271.94	0.49	-40.06
CC(SC1=N[N-]N=N1)C(=O)NC(C)C1=CC=CC=C1	REAL250004571180	0	33	-1.0	-39.82	293.28	4.05	-35.77
CC(SC1=NN=N[N-]1)C(=O)NC(C)C1=CC=CC=C1	REAL250004571180	1	33	-1.0	-39.27	292.32	4.05	-35.22
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(C(N)=O)C=C1	REAL250004571181	0	31	-1.0	-43.36	284.24	-0.11	-43.47
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(C(N)=O)C=C1	REAL250004571181	1	31	-1.0	-42.85	283.29	-0.12	-42.97
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=C1	REAL250004571182	0	27	-1.0	-39.40	266.25	3.61	-35.79
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C=C1	REAL250004571182	1	27	-1.0	-38.85	265.30	3.61	-35.24
CC(SC1=N[N-]N=N1)C(=O)NC(C)C1CC2CCC1C2	REAL250004571183	0	40	-1.0	-39.73	319.81	4.78	-34.95
CC(SC1=NN=N[N-]1)C(=O)NC(C)C1CC2CCC1C2	REAL250004571183	1	40	-1.0	-39.25	318.86	4.78	-34.47
CSC1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571184	0	31	-1.0	-40.60	287.05	4.22	-36.38
CSC1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571184	1	31	-1.0	-40.20	286.09	4.22	-35.98
CC(SC1=N[N-]N=N1)C(=O)NC1CCCCC1	REAL250004571185	0	33	-1.0	-39.92	278.09	2.90	-37.02
CC(SC1=NN=N[N-]1)C(=O)NC1CCCCC1	REAL250004571185	1	33	-1.0	-39.45	277.13	2.89	-36.56
CCN(C(=O)C(C)SC1=N[N-]N=N1)C1CCCCC1	REAL250004571186	0	39	-1.0	-40.71	306.16	5.58	-35.13
CCN(C(=O)C(C)SC1=NN=N[N-]1)C1CCCCC1	REAL250004571186	1	39	-1.0	-40.26	305.21	5.57	-34.69
CCN(CC1=CC=CC=C1)C(=O)C(C)SC1=N[N-]N=N1	REAL250004571187	0	36	-1.0	-41.59	309.80	6.14	-35.45
CCN(CC1=CC=CC=C1)C(=O)C(C)SC1=NN=N[N-]1	REAL250004571187	1	36	-1.0	-41.04	308.85	6.14	-34.90
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004571188	0	29	-1.0	-41.07	278.13	3.76	-37.31
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004571188	1	29	-1.0	-40.52	277.18	3.76	-36.76
CCC1=CC=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571189	0	30	-1.0	-37.98	271.80	5.17	-32.81
CCC1=CC=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571189	1	30	-1.0	-37.89	271.39	5.17	-32.72
CCN(C(C)=O)C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571190	0	29	-1.0	-53.03	276.69	3.91	-49.12
CCN(C(C)=O)C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571190	1	29	-1.0	-52.83	276.28	3.91	-48.92
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FC1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571191	1	27	-1.0	-36.72	256.41	4.59	-32.13
CC1=C(O)C=CC2=C1OC(=O)C=C2CSC1=NN=N[N-]1	REAL250004571192	0	29	-1.0	-38.93	272.46	3.38	-35.55
CC1=C(O)C=CC2=C1OC(=O)C=C2CSC1=N[N-]N=N1	REAL250004571192	1	29	-1.0	-39.23	272.89	3.37	-35.86
CC(C)N1N=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571193	0	33	-1.0	-39.64	290.94	3.36	-36.28
CC(C)N1N=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571193	1	33	-1.0	-40.18	291.89	3.36	-36.82
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C1=CC=C(OC2=CC=CC=C2CSC2=NN=N[N-]2)C=C1	REAL250004571195	0	31	-1.0	-43.24	285.34	6.96	-36.28
C1=CC=C(OC2=CC=CC=C2CSC2=N[N-]N=N2)C=C1	REAL250004571195	1	31	-1.0	-43.50	285.75	6.95	-36.55
N#CCN(C(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571196	0	28	-1.0	-45.56	274.69	4.80	-40.76
N#CCN(C(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571196	1	28	-1.0	-46.09	275.10	4.80	-41.29
CCN(C(=O)C(C)SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571197	0	33	-1.0	-39.52	275.07	5.16	-34.36
CCN(C(=O)C(C)SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571197	1	33	-1.0	-39.89	276.08	5.16	-34.73
CC1=CC(C(=O)CSC2=N[N-]N=N2)=C(C)N1C(C)C	REAL250004571198	0	35	-1.0	-42.85	296.12	5.81	-37.04
CC1=CC(C(=O)CSC2=NN=N[N-]2)=C(C)N1C(C)C	REAL250004571198	1	35	-1.0	-42.55	295.71	5.83	-36.72
COC(=O)C1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571199	0	30	-1.0	-48.42	287.09	3.06	-45.36
COC(=O)C1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571199	1	30	-1.0	-47.87	286.68	3.07	-44.80
COC(=O)C1=C(C)NC(C(=O)CSC2=N[N-]N=N2)=C1C	REAL250004571200	0	32	-1.0	-42.16	301.01	3.73	-38.43
COC(=O)C1=C(C)NC(C(=O)CSC2=NN=N[N-]2)=C1C	REAL250004571200	1	32	-1.0	-41.61	300.60	3.74	-37.87
O=C(C1=CC=C(CSC2=N[N-]N=N2)C=C1)N1CCCC1	REAL250004571201	0	34	-1.0	-42.78	294.94	5.16	-37.62
O=C(C1=CC=C(CSC2=NN=N[N-]2)C=C1)N1CCCC1	REAL250004571201	1	34	-1.0	-42.41	294.53	5.16	-37.25
C1=CSC(C2=NC(CSC3=NN=N[N-]3)=CO2)=C1	REAL250004571202	0	23	-1.0	-41.93	246.21	1.47	-40.46
C1=CSC(C2=NC(CSC3=N[N-]N=N3)=CO2)=C1	REAL250004571202	1	23	-1.0	-42.22	246.62	1.47	-40.75
COC1=CC(NC(=O)CSC2=N[N-]N=N2)=CC(OC)=C1	REAL250004571203	0	32	-1.0	-43.37	291.26	1.01	-42.36
COC1=CC(NC(=O)CSC2=NN=N[N-]2)=CC(OC)=C1	REAL250004571203	1	32	-1.0	-42.88	290.85	1.02	-41.86
NC(=O)C1CCN(C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571204	0	31	-1.0	-47.14	271.85	-0.63	-47.77
NC(=O)C1CCN(C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571204	1	31	-1.0	-46.73	271.44	-0.63	-47.36
O=C(CSC1=N[N-]N=N1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL250004571205	0	26	-1.0	-43.63	266.41	3.17	-40.46
O=C(CSC1=NN=N[N-]1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL250004571205	1	26	-1.0	-43.08	266.00	3.18	-39.90
CN1C(=O)C(C(=O)CSC2=N[N-]N=N2)=C(N)N(C)C1=O	REAL250004571206	0	30	-1.0	-49.75	270.65	1.54	-48.21
CN1C(=O)C(C(=O)CSC2=NN=N[N-]2)=C(N)N(C)C1=O	REAL250004571206	1	30	-1.0	-49.77	270.24	1.54	-48.23
CN(C(=O)CSC1=N[N-]N=N1)C1CCCCC1	REAL250004571207	0	33	-1.0	-39.97	274.36	4.03	-35.94
CN(C(=O)CSC1=NN=N[N-]1)C1CCCCC1	REAL250004571207	1	33	-1.0	-39.46	273.95	4.04	-35.42
CCN(C(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571208	0	30	-1.0	-40.26	273.46	4.99	-35.27
CCN(C(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571208	1	30	-1.0	-40.73	273.87	4.99	-35.74
CC1CN(C(=O)CSC2=N[N-]N=N2)CC(C)O1	REAL250004571209	0	31	-1.0	-38.56	269.70	1.78	-36.78
CC1CN(C(=O)CSC2=NN=N[N-]2)CC(C)O1	REAL250004571209	1	31	-1.0	-38.04	269.29	1.78	-36.26
FC(F)(F)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571210	0	23	-1.0	-37.71	237.66	5.14	-32.57
FC(F)(F)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571210	1	23	-1.0	-37.36	237.25	5.14	-32.22
CC(NC(=O)CSC1=N[N-]N=N1)C1=CC=CS1	REAL250004571212	0	27	-1.0	-38.69	267.48	2.43	-36.26
CC(NC(=O)CSC1=NN=N[N-]1)C1=CC=CS1	REAL250004571212	1	27	-1.0	-38.30	267.07	2.44	-35.86
CC1=CC=CC(C)=C1OCCSC1=N[N-]N=N1	REAL250004571213	0	30	-1.0	-38.19	270.67	5.27	-32.92
CC1=CC=CC(C)=C1OCCSC1=NN=N[N-]1	REAL250004571213	1	30	-1.0	-38.16	270.25	5.27	-32.89
CC(=O)C1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004571214	0	29	-1.0	-47.89	269.54	5.49	-42.40
CC(=O)C1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004571214	1	29	-1.0	-48.05	269.13	5.50	-42.55
CCN(CC(=O)NC(C)C)C(=O)CSC1=N[N-]N=N1	REAL250004571215	0	36	-1.0	-47.70	317.22	2.11	-45.59
CCN(CC(=O)NC(C)C)C(=O)CSC1=NN=N[N-]1	REAL250004571215	1	36	-1.0	-47.36	316.80	2.12	-45.24
CC(SC1=N[N-]N=N1)C(=O)NC(C)C1=CC=C(F)C=C1	REAL250004571216	0	33	-1.0	-40.11	299.50	4.11	-36.00
CC(SC1=NN=N[N-]1)C(=O)NC(C)C1=CC=C(F)C=C1	REAL250004571216	1	33	-1.0	-39.58	298.54	4.11	-35.47
CC1=CSC2=NC(CSC3=NN=N[N-]3)=CC(=O)N12	REAL250004571217	0	25	-1.0	-43.08	251.55	3.76	-39.32
CC1=CSC2=NC(CSC3=N[N-]N=N3)=CC(=O)N12	REAL250004571217	1	25	-1.0	-43.35	251.96	3.75	-39.60
CC1CCCC(C)N1C(=O)CSC1=N[N-]N=N1	REAL250004571218	0	33	-1.0	-39.26	266.69	3.90	-35.36
CC1CCCC(C)N1C(=O)CSC1=NN=N[N-]1	REAL250004571218	1	33	-1.0	-38.94	266.28	3.90	-35.04
COC1=CC=C(C(=O)NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571219	0	30	-1.0	-46.84	282.75	2.64	-44.20
COC1=CC=C(C(=O)NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571219	1	30	-1.0	-46.24	282.34	2.65	-43.59
CCC1=CC=C2C(CSC3=NN=N[N-]3)=CC(=O)OC2=C1	REAL250004571220	0	31	-1.0	-37.88	285.57	6.95	-30.93
CCC1=CC=C2C(CSC3=N[N-]N=N3)=CC(=O)OC2=C1	REAL250004571220	1	31	-1.0	-38.09	285.99	6.94	-31.15
COC1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571221	0	31	-1.0	-40.47	276.71	2.52	-37.95
COC1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571221	1	31	-1.0	-40.94	277.67	2.52	-38.42
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CO1	REAL250004571222	0	27	-1.0	-39.97	256.50	1.33	-38.64
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CO1	REAL250004571222	1	27	-1.0	-39.54	255.54	1.33	-38.21
CC(SC1=N[N-]N=N1)C(=O)N(C)C1CCCCC1	REAL250004571223	0	36	-1.0	-40.28	287.97	4.56	-35.72
CC(SC1=NN=N[N-]1)C(=O)N(C)C1CCCCC1	REAL250004571223	1	36	-1.0	-39.81	287.02	4.57	-35.24
CC1=CC=C2C(CSC3=NN=N[N-]3)=CC(=O)OC2=C1C	REAL250004571224	0	31	-1.0	-38.73	279.84	6.68	-32.05
CC1=CC=C2C(CSC3=N[N-]N=N3)=CC(=O)OC2=C1C	REAL250004571224	1	31	-1.0	-39.01	280.27	6.67	-32.34
CCC1=CC=C(C(C)NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571225	0	36	-1.0	-39.47	318.77	4.79	-34.68
CCC1=CC=C(C(C)NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571225	1	36	-1.0	-39.07	318.35	4.80	-34.27
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CC1=CC=C(C(C)NC(=O)CSC2=N[N-]N=N2)C=C1C	REAL250004571227	0	36	-1.0	-39.82	314.29	4.55	-35.27
CC1=CC=C(C(C)NC(=O)CSC2=NN=N[N-]2)C=C1C	REAL250004571227	1	36	-1.0	-39.37	313.87	4.56	-34.81
O=C(CSC1=N[N-]N=N1)NC1=CC=CC2=C1N=S=N2	REAL250004571228	0	25	-1.0	-40.19	255.96	0.74	-39.45
O=C(CSC1=NN=N[N-]1)NC1=CC=CC2=C1N=S=N2	REAL250004571228	1	25	-1.0	-39.85	255.55	0.75	-39.10
CCCOC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571229	0	34	-1.0	-38.00	301.76	4.74	-33.26
CCCOC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571229	1	34	-1.0	-37.89	301.35	4.74	-33.15
ClC1=CC=C(SCCSC2=N[N-]N=N2)C=C1	REAL250004571230	0	24	-1.0	-36.24	255.96	5.88	-30.36
ClC1=CC=C(SCCSC2=NN=N[N-]2)C=C1	REAL250004571230	1	24	-1.0	-36.08	255.55	5.90	-30.18
O=C(CSC1=N[N-]N=N1)NC(=O)CC1=CC=CC=C1	REAL250004571231	0	29	-1.0	-48.01	277.98	3.98	-44.03
O=C(CSC1=NN=N[N-]1)NC(=O)CC1=CC=CC=C1	REAL250004571231	1	29	-1.0	-47.36	277.57	3.99	-43.37
CC1=CC=C2C(CSC3=NN=N[N-]3)=CC(=O)OC2=C1	REAL250004571232	0	28	-1.0	-38.32	264.08	6.18	-32.14
CC1=CC=C2C(CSC3=N[N-]N=N3)=CC(=O)OC2=C1	REAL250004571232	1	28	-1.0	-38.58	264.51	6.17	-32.41
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004571233	0	26	-1.0	-45.67	261.57	5.25	-40.42
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004571233	1	26	-1.0	-45.65	262.96	5.22	-40.43
CC(=O)NC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571234	0	31	-1.0	-50.09	288.43	1.30	-48.79
CC(=O)NC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571234	1	31	-1.0	-49.60	288.02	1.32	-48.28
O=C(CSC1=N[N-]N=N1)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004571235	0	26	-1.0	-41.36	260.75	3.07	-38.29
O=C(CSC1=NN=N[N-]1)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004571235	1	26	-1.0	-40.79	260.34	3.08	-37.71
COC1=CC=C([N+](=O)[O-])C=C1CSC1=NN=N[N-]1	REAL250004571236	0	26	-1.0	-41.99	254.90	4.18	-37.81
COC1=CC=C([N+](=O)[O-])C=C1CSC1=N[N-]N=N1	REAL250004571236	1	26	-1.0	-42.25	255.32	4.17	-38.08
CC1CCC(NC(=O)CSC2=N[N-]N=N2)CC1	REAL250004571237	0	33	-1.0	-39.30	277.11	3.21	-36.09
CC1CCC(NC(=O)CSC2=NN=N[N-]2)CC1	REAL250004571237	1	33	-1.0	-38.77	276.70	3.22	-35.55
CC(SC1=N[N-]N=N1)C(=O)NCCC1=CCCCC1	REAL250004571238	0	37	-1.0	-39.61	313.07	4.19	-35.42
CC(SC1=NN=N[N-]1)C(=O)NCCC1=CCCCC1	REAL250004571238	1	37	-1.0	-39.12	312.12	4.19	-34.93
CC1=CC=CC(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571239	0	30	-1.0	-40.05	270.39	3.76	-36.29
CC1=CC=CC(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571239	1	30	-1.0	-40.53	271.34	3.75	-36.78
CC(SC1=N[N-]N=N1)C(=O)NC(=O)NC1CCCCC1	REAL250004571240	0	37	-1.0	-47.04	313.50	3.10	-43.94
CC(SC1=NN=N[N-]1)C(=O)NC(=O)NC1CCCCC1	REAL250004571240	1	37	-1.0	-46.38	312.55	3.10	-43.28
CC(C)(C)C1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571241	0	36	-1.0	-39.08	297.44	5.32	-33.76
CC(C)(C)C1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571241	1	36	-1.0	-38.66	297.03	5.33	-33.33
O=C(CSC1=N[N-]N=N1)NCCC1=CC=C(Cl)C=C1	REAL250004571242	0	30	-1.0	-40.95	296.60	3.81	-37.14
O=C(CSC1=NN=N[N-]1)NCCC1=CC=C(Cl)C=C1	REAL250004571242	1	30	-1.0	-40.42	296.18	3.82	-36.60
O=C(CSC1=N[N-]N=N1)NCCC1=CCCCC1	REAL250004571243	0	34	-1.0	-39.52	295.69	3.50	-36.02
O=C(CSC1=NN=N[N-]1)NCCC1=CCCCC1	REAL250004571243	1	34	-1.0	-39.03	295.28	3.52	-35.51
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C(F)=C1	REAL250004571244	0	27	-1.0	-38.98	258.79	3.19	-35.79
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C(F)=C1	REAL250004571244	1	27	-1.0	-38.54	258.38	3.20	-35.34
O=C(CSC1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=C1	REAL250004571245	0	28	-1.0	-45.42	268.39	-0.79	-46.21
O=C(CSC1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=C1	REAL250004571245	1	28	-1.0	-44.86	267.98	-0.78	-45.64
BrC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571246	0	20	-1.0	-35.95	220.24	4.77	-31.18
BrC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571246	1	20	-1.0	-35.60	219.82	4.77	-30.83
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571247	0	26	-1.0	-38.34	253.34	4.81	-33.53
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571247	1	26	-1.0	-38.68	253.75	4.81	-33.87
CC(C)C(C)(C#N)NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571248	0	33	-1.0	-43.30	281.85	2.11	-41.19
CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571248	1	33	-1.0	-42.84	280.89	2.11	-40.73
CC1=CC(OCCSC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004571249	0	36	-1.0	-37.95	306.54	6.18	-31.77
CC1=CC(OCCSC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004571249	1	36	-1.0	-37.84	306.13	6.18	-31.66
CC1=NC2=CC=CC=C2N=C1CSC1=NN=N[N-]1	REAL250004571250	0	27	-1.0	-41.37	252.01	3.00	-38.37
CC1=NC2=CC=CC=C2N=C1CSC1=N[N-]N=N1	REAL250004571250	1	27	-1.0	-41.62	252.43	2.99	-38.63
CC1=NNC(C)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571251	0	27	-1.0	-42.19	259.93	0.02	-42.17
CC1=NNC(C)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571251	1	27	-1.0	-42.72	260.34	0.01	-42.71
O=C1NC2=CC=CC=C2N1CCCSC1=N[N-]N=N1	REAL250004571252	0	30	-1.0	-44.03	278.90	4.06	-39.97
O=C1NC2=CC=CC=C2N1CCCSC1=NN=N[N-]1	REAL250004571252	1	30	-1.0	-43.70	278.49	4.07	-39.63
CC1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571253	0	30	-1.0	-39.89	267.50	4.00	-35.89
CC1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571253	1	30	-1.0	-40.39	268.45	4.00	-36.39
CC(SC1=N[N-]N=N1)C(=O)NC1CCCC(C)C1C	REAL250004571254	0	39	-1.0	-39.35	310.06	4.63	-34.72
CC(SC1=NN=N[N-]1)C(=O)NC1CCCC(C)C1C	REAL250004571254	1	39	-1.0	-38.88	309.11	4.63	-34.25
CC(C)C(C)(C#N)NC(=O)CSC1=N[N-]N=N1	REAL250004571255	0	30	-1.0	-44.87	266.16	1.40	-43.47
CC(C)C(C)(C#N)NC(=O)CSC1=NN=N[N-]1	REAL250004571255	1	30	-1.0	-44.23	265.75	1.41	-42.82
O=C(CSC1=N[N-]N=N1)NC1CCS(=O)(=O)C1	REAL250004571256	0	27	-1.0	-47.02	262.56	-2.40	-49.42
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O=C(CSC1=N[N-]N=N1)NC(=O)NC1CCCCC1	REAL250004571257	0	34	-1.0	-47.04	296.26	2.39	-44.65
O=C(CSC1=NN=N[N-]1)NC(=O)NC1CCCCC1	REAL250004571257	1	34	-1.0	-46.40	295.85	2.40	-44.00
FC(F)(F)C1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571258	0	23	-1.0	-41.81	229.20	4.89	-36.92
FC(F)(F)C1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571258	1	23	-1.0	-41.59	228.79	4.90	-36.69
O=C(CSC1=N[N-]N=N1)NC1C2CC3CC(C2)CC1C3	REAL250004571259	0	38	-1.0	-39.63	297.24	4.32	-35.31
O=C(CSC1=NN=N[N-]1)NC1C2CC3CC(C2)CC1C3	REAL250004571259	1	38	-1.0	-39.12	296.83	4.33	-34.79
COC1=CC=CC(CNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571260	0	31	-1.0	-41.02	287.87	1.82	-39.20
COC1=CC=CC(CNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571260	1	31	-1.0	-40.57	287.46	1.83	-38.74
COC(=O)C1CCN(C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571261	0	33	-1.0	-43.68	290.75	3.34	-40.34
COC(=O)C1CCN(C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571261	1	33	-1.0	-43.24	290.33	3.34	-39.90
CC1=CC(C)=C(NC(=O)CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004571262	0	30	-1.0	-41.28	293.34	4.63	-36.65
CC1=CC(C)=C(NC(=O)CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004571262	1	30	-1.0	-40.86	292.93	4.64	-36.22
CCOC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571263	0	31	-1.0	-38.17	280.26	3.93	-34.24
CCOC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571263	1	31	-1.0	-38.09	279.85	3.94	-34.15
N#CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1Cl	REAL250004571264	0	25	-1.0	-43.07	268.76	3.20	-39.87
N#CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1Cl	REAL250004571264	1	25	-1.0	-42.40	268.35	3.21	-39.19
CC1=CC2=NC(CSC3=NN=N[N-]3)=CC(=O)N2C=C1	REAL250004571265	0	28	-1.0	-45.99	264.94	4.59	-41.40
CC1=CC2=NC(CSC3=N[N-]N=N3)=CC(=O)N2C=C1	REAL250004571265	1	28	-1.0	-46.15	265.35	4.59	-41.56
CC1=CN2C(=O)C=C(CSC3=NN=N[N-]3)N=C2C=C1	REAL250004571266	0	28	-1.0	-46.17	264.89	4.58	-41.59
CC1=CN2C(=O)C=C(CSC3=N[N-]N=N3)N=C2C=C1	REAL250004571266	1	28	-1.0	-46.27	265.30	4.58	-41.69
COCCN1C(C)=CC(C(=O)CSC2=N[N-]N=N2)=C1C	REAL250004571267	0	36	-1.0	-42.02	319.60	4.61	-37.41
COCCN1C(C)=CC(C(=O)CSC2=NN=N[N-]2)=C1C	REAL250004571267	1	36	-1.0	-41.67	319.19	4.62	-37.05
O=C(CSC1=N[N-]N=N1)NC(=O)NCC1=CC=CC=C1	REAL250004571268	0	31	-1.0	-46.02	293.92	2.71	-43.31
O=C(CSC1=NN=N[N-]1)NC(=O)NCC1=CC=CC=C1	REAL250004571268	1	31	-1.0	-45.46	293.51	2.72	-42.74
FC1=CC(Br)=CC=C1CSC1=N[N-]N=N1	REAL250004571269	0	20	-1.0	-37.47	225.55	4.80	-32.67
FC1=CC(Br)=CC=C1CSC1=NN=N[N-]1	REAL250004571269	1	20	-1.0	-37.17	225.14	4.80	-32.37
ClC1=CN2C=C(CSC3=NN=N[N-]3)N=C2C=C1	REAL250004571270	0	23	-1.0	-41.96	242.23	5.12	-36.84
ClC1=CN2C=C(CSC3=N[N-]N=N3)N=C2C=C1	REAL250004571270	1	23	-1.0	-42.30	242.64	5.12	-37.18
CC1=CC=CC=C1C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571271	0	28	-1.0	-36.74	264.77	3.66	-33.08
CC1=CC=CC=C1C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571271	1	28	-1.0	-37.01	265.18	3.66	-33.35
FC1=CC=C(CSC2=N[N-]N=N2)C(Br)=C1	REAL250004571272	0	20	-1.0	-36.85	223.43	4.73	-32.12
FC1=CC=C(CSC2=NN=N[N-]2)C(Br)=C1	REAL250004571272	1	20	-1.0	-36.51	223.02	4.73	-31.78
CC(SC1=N[N-]N=N1)C(=O)N1CCC(C)CC1	REAL250004571273	0	33	-1.0	-39.87	272.49	3.89	-35.98
CC(SC1=NN=N[N-]1)C(=O)N1CCC(C)CC1	REAL250004571273	1	33	-1.0	-39.36	271.54	3.91	-35.45
N#CCCN(CCC#N)C(=O)CSC1=N[N-]N=N1	REAL250004571274	0	28	-1.0	-48.99	278.24	3.56	-45.43
N#CCCN(CCC#N)C(=O)CSC1=NN=N[N-]1	REAL250004571274	1	28	-1.0	-48.39	277.83	3.57	-44.82
CCOC(=O)CCCNC(=O)CSC1=N[N-]N=N1	REAL250004571275	0	32	-1.0	-42.74	297.28	1.99	-40.75
CCOC(=O)CCCNC(=O)CSC1=NN=N[N-]1	REAL250004571275	1	32	-1.0	-42.36	296.87	2.00	-40.36
CC(C)N(CC1=CC=CC=C1)C(=O)CSC1=N[N-]N=N1	REAL250004571276	0	36	-1.0	-41.25	304.07	5.85	-35.40
CC(C)N(CC1=CC=CC=C1)C(=O)CSC1=NN=N[N-]1	REAL250004571276	1	36	-1.0	-40.89	303.66	5.86	-35.03
CC1CCCCC1NC(=O)CSC1=N[N-]N=N1	REAL250004571277	0	33	-1.0	-39.23	275.63	3.45	-35.78
CC1CCCCC1NC(=O)CSC1=NN=N[N-]1	REAL250004571277	1	33	-1.0	-38.83	275.22	3.46	-35.37
CC(=O)C1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571278	0	29	-1.0	-44.48	267.24	3.23	-41.25
CC(=O)C1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571278	1	29	-1.0	-44.22	266.83	3.24	-40.98
CC1=CC=C(CNC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571279	0	30	-1.0	-39.40	279.77	3.19	-36.21
CC1=CC=C(CNC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571279	1	30	-1.0	-38.91	279.36	3.20	-35.71
CC(SC1=N[N-]N=N1)C(=O)N1CC(C)CC(C)C1	REAL250004571280	0	36	-1.0	-39.14	292.84	4.44	-34.70
CC(SC1=NN=N[N-]1)C(=O)N1CC(C)CC(C)C1	REAL250004571280	1	36	-1.0	-38.73	291.88	4.44	-34.29
CCC1CCCCN1C(=O)C(C)SC1=N[N-]N=N1	REAL250004571281	0	36	-1.0	-39.44	283.81	4.46	-34.98
CCC1CCCCN1C(=O)C(C)SC1=NN=N[N-]1	REAL250004571281	1	36	-1.0	-38.96	282.86	4.46	-34.50
O=C(CSC1=N[N-]N=N1)NC1=CC=CC=C1[N+](=O)[O-]	REAL250004571282	0	26	-1.0	-42.18	256.30	3.39	-38.79
O=C(CSC1=NN=N[N-]1)NC1=CC=CC=C1[N+](=O)[O-]	REAL250004571282	1	26	-1.0	-41.91	255.88	3.40	-38.51
CSC1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571283	0	28	-1.0	-43.60	272.49	3.42	-40.18
CSC1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571283	1	28	-1.0	-43.11	272.07	3.43	-39.68
C1=CC=C(C2=NN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571284	0	25	-1.0	-38.57	250.07	0.11	-38.46
C1=CC=C(C2=NN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571284	1	25	-1.0	-38.88	250.48	0.10	-38.78
CC1=CC(C)=C(NC(=O)C(C)SC2=N[N-]N=N2)C(C)=C1	REAL250004571285	0	36	-1.0	-40.16	307.56	5.35	-34.81
CC1=CC(C)=C(NC(=O)C(C)SC2=NN=N[N-]2)C(C)=C1	REAL250004571285	1	36	-1.0	-39.75	306.60	5.35	-34.40
N#CC1(NC(=O)CSC2=N[N-]N=N2)CCCCC1	REAL250004571286	0	31	-1.0	-45.43	271.44	1.93	-43.50
N#CC1(NC(=O)CSC2=NN=N[N-]2)CCCCC1	REAL250004571286	1	31	-1.0	-44.89	271.03	1.94	-42.95
CC(SC1=N[N-]N=N1)C(=O)NC1(C#N)CCCCC1	REAL250004571287	0	34	-1.0	-46.36	288.81	2.62	-43.74
CC(SC1=NN=N[N-]1)C(=O)NC1(C#N)CCCCC1	REAL250004571287	1	34	-1.0	-45.73	287.86	2.62	-43.11
CC(=O)N1CCN(C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571288	0	31	-1.0	-43.91	269.73	1.54	-42.37
CC(=O)N1CCN(C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571288	1	31	-1.0	-43.25	269.32	1.54	-41.71
O=C1C2=CC=CC=C2C(=O)N1CSC1=NN=N[N-]1	REAL250004571289	0	24	-1.0	-45.46	243.44	2.90	-42.56
O=C1C2=CC=CC=C2C(=O)N1CSC1=N[N-]N=N1	REAL250004571289	1	24	-1.0	-47.49	235.36	3.42	-44.07
CC(SC1=NN=N[N-]1)C(=O)N(C)C1=CC=CC=C1	REAL250004571290	0	30	-1.0	-40.33	267.37	4.72	-35.61
CC(SC1=N[N-]N=N1)C(=O)N(C)C1=CC=CC=C1	REAL250004571290	1	30	-1.0	-40.80	268.32	4.70	-36.10
N#CC1=C(NC(=O)CSC2=N[N-]N=N2)SC=C1	REAL250004571291	0	22	-1.0	-38.56	242.10	1.88	-36.68
N#CC1=C(NC(=O)CSC2=NN=N[N-]2)SC=C1	REAL250004571291	1	22	-1.0	-38.19	241.69	1.89	-36.30
O=C1N=C(CSC2=NN=N[N-]2)NC2=CC=CC=C12	REAL250004571292	0	25	-1.0	-49.48	242.95	2.18	-47.30
O=C1N=C(CSC2=N[N-]N=N2)NC2=CC=CC=C12	REAL250004571292	1	25	-1.0	-50.20	243.37	2.17	-48.03
O=C(CSC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004571293	0	26	-1.0	-45.25	250.10	4.09	-41.16
O=C(CSC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004571293	1	26	-1.0	-45.84	250.51	4.08	-41.76
CC(C)CN(CC(C)C)C(=O)CSC1=N[N-]N=N1	REAL250004571294	0	38	-1.0	-39.83	308.75	5.16	-34.67
CC(C)CN(CC(C)C)C(=O)CSC1=NN=N[N-]1	REAL250004571294	1	38	-1.0	-39.40	308.33	5.17	-34.23
O=C1N=C(CSC2=NN=N[N-]2)NC2=C1SC=C2	REAL250004571295	0	22	-1.0	-50.76	233.53	1.17	-49.59
O=C1N=C(CSC2=N[N-]N=N2)NC2=C1SC=C2	REAL250004571295	1	22	-1.0	-51.53	233.94	1.17	-50.36
CC(C)CNC(=O)NC(=O)CSC1=N[N-]N=N1	REAL250004571296	0	30	-1.0	-46.30	274.39	1.22	-45.08
CC(C)CNC(=O)NC(=O)CSC1=NN=N[N-]1	REAL250004571296	1	30	-1.0	-45.66	273.98	1.23	-44.43
CC(SC1=NN=N[N-]1)C(=O)N1CCCC2=CC=CC=C21	REAL250004571297	0	34	-1.0	-40.73	283.24	5.69	-35.04
CC(SC1=N[N-]N=N1)C(=O)N1CCCC2=CC=CC=C21	REAL250004571297	1	34	-1.0	-41.22	284.19	5.70	-35.52
O=C1N=C(CSC2=NN=N[N-]2)NC2=CC(Cl)=CC=C12	REAL250004571298	0	25	-1.0	-45.07	259.59	2.69	-42.38
O=C1N=C(CSC2=N[N-]N=N2)NC2=CC(Cl)=CC=C12	REAL250004571298	1	25	-1.0	-45.79	260.00	2.68	-43.11
O=C(CSC1=N[N-]N=N1)NC1=CC=C2CCCC2=C1	REAL250004571299	0	31	-1.0	-40.55	277.82	4.31	-36.24
O=C(CSC1=NN=N[N-]1)NC1=CC=C2CCCC2=C1	REAL250004571299	1	31	-1.0	-40.07	277.41	4.32	-35.75
CN1C=CC=C1C(=O)NC(=O)CSC1=N[N-]N=N1	REAL250004571300	0	27	-1.0	-46.12	258.46	2.70	-43.42
CN1C=CC=C1C(=O)NC(=O)CSC1=NN=N[N-]1	REAL250004571300	1	27	-1.0	-45.61	258.05	2.71	-42.90
CCOC(=O)C1=C(CSC2=NN=N[N-]2)NC(=O)NC1C	REAL250004571301	0	33	-1.0	-40.43	300.57	1.28	-39.15
CCOC(=O)C1=C(CSC2=N[N-]N=N2)NC(=O)NC1C	REAL250004571301	1	33	-1.0	-40.73	300.98	1.28	-39.45
CCN1CCN(C(=O)C(C)SC2=N[N-]N=N2)CC1	REAL250004571302	0	35	-1.0	-39.04	286.04	1.58	-37.46
CCN1CCN(C(=O)C(C)SC2=NN=N[N-]2)CC1	REAL250004571302	1	35	-1.0	-38.56	285.08	1.59	-36.97
CN(C)S(=O)(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571303	0	31	-1.0	-43.37	294.09	2.14	-41.23
CN(C)S(=O)(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571303	1	31	-1.0	-43.71	294.51	2.14	-41.57
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1[N+](=O)[O-]	REAL250004571304	0	29	-1.0	-42.82	273.68	4.09	-38.73
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1[N+](=O)[O-]	REAL250004571304	1	29	-1.0	-42.45	272.73	4.09	-38.36
CC(SC1=N[N-]N=N1)C(=O)NCCC1=CC=C(F)C=C1	REAL250004571305	0	33	-1.0	-41.80	303.66	4.04	-37.76
CC(SC1=NN=N[N-]1)C(=O)NCCC1=CC=C(F)C=C1	REAL250004571305	1	33	-1.0	-41.20	302.70	4.04	-37.16
CC(SC1=N[N-]N=N1)C(=O)NC1CCCCC1C	REAL250004571306	0	36	-1.0	-39.43	292.87	4.14	-35.29
CC(SC1=NN=N[N-]1)C(=O)NC1CCCCC1C	REAL250004571306	1	36	-1.0	-38.95	291.91	4.14	-34.81
CCOC(=O)C1=C(CSC2=N[N-]N=N2)OC=C1	REAL250004571307	0	26	-1.0	-44.29	254.89	3.82	-40.47
CCOC(=O)C1=C(CSC2=NN=N[N-]2)OC=C1	REAL250004571307	1	26	-1.0	-44.12	254.48	3.82	-40.30
C1=CSC(C2=NC(CSC3=NN=N[N-]3)=CS2)=C1	REAL250004571308	0	23	-1.0	-41.52	255.03	3.94	-37.58
C1=CSC(C2=NC(CSC3=N[N-]N=N3)=CS2)=C1	REAL250004571308	1	23	-1.0	-41.74	255.44	3.94	-37.80
CC1=CC(C)=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571309	0	30	-1.0	-38.17	271.73	5.06	-33.11
CC1=CC(C)=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571309	1	30	-1.0	-38.12	271.31	5.06	-33.06
CC1=CC(NC(=O)CSC2=N[N-]N=N2)=CC(C)=C1	REAL250004571310	0	30	-1.0	-40.67	275.37	3.74	-36.93
CC1=CC(NC(=O)CSC2=NN=N[N-]2)=CC(C)=C1	REAL250004571310	1	30	-1.0	-40.18	274.95	3.75	-36.43
O=C(CSC1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL250004571311	0	31	-1.0	-39.85	274.75	4.83	-35.02
O=C(CSC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL250004571311	1	31	-1.0	-39.50	274.33	4.84	-34.66
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004571312	0	27	-1.0	-38.44	267.77	3.68	-34.76
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004571312	1	27	-1.0	-38.06	267.36	3.69	-34.37
O=C(CSC1=NN=N[N-]1)N1CCCC2=CC=CC=C21	REAL250004571313	0	31	-1.0	-40.68	268.92	5.15	-35.53
O=C(CSC1=N[N-]N=N1)N1CCCC2=CC=CC=C21	REAL250004571313	1	31	-1.0	-41.17	269.33	5.14	-36.03
COC(=O)C1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571314	0	30	-1.0	-41.38	287.00	3.07	-38.31
COC(=O)C1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571314	1	30	-1.0	-40.87	286.59	3.08	-37.79
CC1=CC=CC(C(C)C)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571315	0	36	-1.0	-40.45	313.85	5.55	-34.90
CC1=CC=CC(C(C)C)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571315	1	36	-1.0	-39.96	313.44	5.56	-34.40
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C([N+](=O)[O-])=C1	REAL250004571316	0	26	-1.0	-48.16	265.01	3.09	-45.07
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C([N+](=O)[O-])=C1	REAL250004571316	1	26	-1.0	-47.49	264.60	3.10	-44.39
O=C(CSC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1	REAL250004571317	0	24	-1.0	-39.27	249.28	2.92	-36.35
O=C(CSC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1	REAL250004571317	1	24	-1.0	-38.73	248.87	2.93	-35.80
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C(Cl)=C1	REAL250004571318	0	24	-1.0	-38.02	254.88	2.97	-35.05
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250004571318	1	24	-1.0	-37.49	254.47	2.98	-34.51
CC(C)C1CCC(C)CC1OC(=O)CSC1=N[N-]N=N1	REAL250004571319	0	41	-1.0	-36.95	329.13	6.94	-30.01
CC(C)C1CCC(C)CC1OC(=O)CSC1=NN=N[N-]1	REAL250004571319	1	41	-1.0	-36.67	328.72	6.95	-29.72
CC(=O)C1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571320	0	29	-1.0	-50.83	275.07	2.89	-47.94
CC(=O)C1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571320	1	29	-1.0	-50.28	274.66	2.90	-47.38
CC1CC(C)CN(C(=O)CSC2=N[N-]N=N2)C1	REAL250004571321	0	33	-1.0	-39.24	277.82	3.89	-35.35
CC1CC(C)CN(C(=O)CSC2=NN=N[N-]2)C1	REAL250004571321	1	33	-1.0	-38.80	277.41	3.90	-34.90
CCC1CCCCN1C(=O)CSC1=N[N-]N=N1	REAL250004571322	0	33	-1.0	-39.32	269.07	3.95	-35.37
CCC1CCCCN1C(=O)CSC1=NN=N[N-]1	REAL250004571322	1	33	-1.0	-38.90	268.66	3.95	-34.95
CC1=C(Cl)C=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571323	0	27	-1.0	-38.28	264.12	3.68	-34.60
CC1=C(Cl)C=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571323	1	27	-1.0	-37.81	263.71	3.69	-34.12
CC1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1C	REAL250004571324	0	30	-1.0	-40.02	267.66	3.85	-36.17
CC1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1C	REAL250004571324	1	30	-1.0	-40.44	268.07	3.83	-36.61
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1C	REAL250004571325	0	30	-1.0	-40.66	270.70	3.61	-37.05
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1C	REAL250004571325	1	30	-1.0	-40.18	270.29	3.62	-36.56
COC1=CC=CC=C1CNC(=O)CSC1=N[N-]N=N1	REAL250004571326	0	31	-1.0	-41.34	286.80	1.85	-39.49
COC1=CC=CC=C1CNC(=O)CSC1=NN=N[N-]1	REAL250004571326	1	31	-1.0	-40.91	286.39	1.87	-39.04
CCOC(=O)C1CCCN(C(=O)CSC2=N[N-]N=N2)C1	REAL250004571327	0	36	-1.0	-40.61	312.71	4.27	-36.34
CCOC(=O)C1CCCN(C(=O)CSC2=NN=N[N-]2)C1	REAL250004571327	1	36	-1.0	-40.15	312.29	4.27	-35.88
COC1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571328	0	28	-1.0	-43.88	261.77	1.70	-42.18
COC1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571328	1	28	-1.0	-43.36	261.36	1.71	-41.65
COC1=CC=C(C)C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571329	0	31	-1.0	-41.22	281.68	2.50	-38.72
COC1=CC=C(C)C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571329	1	31	-1.0	-40.81	281.27	2.51	-38.30
CC1=CC=CC(C)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571330	0	30	-1.0	-39.94	271.98	4.14	-35.80
CC1=CC=CC(C)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571330	1	30	-1.0	-40.39	272.39	4.13	-36.26
CC1=CC=C(Cl)C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571331	0	27	-1.0	-41.13	266.82	3.76	-37.37
CC1=CC=C(Cl)C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571331	1	27	-1.0	-40.60	266.41	3.77	-36.83
C1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571332	0	25	-1.0	-36.62	249.43	2.78	-33.84
C1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571332	1	25	-1.0	-36.91	249.84	2.77	-34.14
CC1=CC(C)=C(NC(=O)CSC2=N[N-]N=N2)C(C)=C1	REAL250004571333	0	33	-1.0	-40.12	290.95	4.69	-35.43
CC1=CC(C)=C(NC(=O)CSC2=NN=N[N-]2)C(C)=C1	REAL250004571333	1	33	-1.0	-39.67	290.54	4.71	-34.96
COC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1OC	REAL250004571334	0	32	-1.0	-42.07	291.02	1.60	-40.47
COC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1OC	REAL250004571334	1	32	-1.0	-41.58	290.61	1.61	-39.97
O=C(CSC1=N[N-]N=N1)NCCC1=CC=CC=C1	REAL250004571335	0	30	-1.0	-40.81	279.86	3.28	-37.53
O=C(CSC1=NN=N[N-]1)NCCC1=CC=CC=C1	REAL250004571335	1	30	-1.0	-40.36	279.45	3.30	-37.06
CC(NC(=O)CSC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004571336	0	37	-1.0	-39.52	302.58	4.08	-35.44
CC(NC(=O)CSC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004571336	1	37	-1.0	-39.04	302.17	4.09	-34.95
O=C(CSC1=N[N-]N=N1)NCCCC1=CC=CC=C1	REAL250004571337	0	33	-1.0	-40.37	301.36	4.07	-36.30
O=C(CSC1=NN=N[N-]1)NCCCC1=CC=CC=C1	REAL250004571337	1	33	-1.0	-39.93	300.95	4.08	-35.85
COC(=O)C1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571338	0	30	-1.0	-41.99	281.51	3.35	-38.64
COC(=O)C1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571338	1	30	-1.0	-41.73	281.10	3.36	-38.37
CCOC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571339	0	31	-1.0	-41.46	283.92	2.62	-38.84
CCOC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571339	1	31	-1.0	-40.93	283.51	2.64	-38.29
N#CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571340	0	25	-1.0	-41.18	253.11	2.80	-38.38
N#CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571340	1	25	-1.0	-40.63	252.70	2.81	-37.82
O=C(CSC1=N[N-]N=N1)NC1CCCCCC1	REAL250004571341	0	33	-1.0	-39.58	272.44	2.57	-37.01
O=C(CSC1=NN=N[N-]1)NC1CCCCCC1	REAL250004571341	1	33	-1.0	-39.11	272.03	2.58	-36.53
COC1=CC=C(Cl)C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571342	0	28	-1.0	-41.22	277.01	2.33	-38.89
COC1=CC=C(Cl)C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571342	1	28	-1.0	-40.77	276.59	2.34	-38.43
O=C(CSC1=N[N-]N=N1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004571343	0	26	-1.0	-48.12	260.49	3.07	-45.05
O=C(CSC1=NN=N[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004571343	1	26	-1.0	-47.51	260.07	3.08	-44.43
COC1=CC=C(OC)C(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571344	0	32	-1.0	-43.85	289.75	1.10	-42.75
COC1=CC=C(OC)C(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571344	1	32	-1.0	-43.46	289.34	1.11	-42.35
CC(C)(C)C1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571345	0	36	-1.0	-40.21	308.71	4.72	-35.49
CC(C)(C)C1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571345	1	36	-1.0	-39.73	308.30	4.73	-35.00
N#CCCN(C(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571346	0	31	-1.0	-43.47	294.73	5.49	-37.98
N#CCCN(C(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571346	1	31	-1.0	-42.94	294.32	5.49	-37.45
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1Cl	REAL250004571347	0	27	-1.0	-41.56	267.72	3.50	-38.06
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1Cl	REAL250004571347	1	27	-1.0	-41.00	267.31	3.51	-37.49
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C(F)=C1	REAL250004571348	0	24	-1.0	-38.35	245.00	2.52	-35.83
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C(F)=C1	REAL250004571348	1	24	-1.0	-37.84	244.58	2.53	-35.31
N#CC1=CC=C(Cl)C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571349	0	25	-1.0	-40.60	268.33	3.38	-37.22
N#CC1=CC=C(Cl)C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571349	1	25	-1.0	-40.24	267.92	3.39	-36.85
CCN(C(=O)CSC1=N[N-]N=N1)C1CCCCC1	REAL250004571350	0	36	-1.0	-40.24	291.85	5.01	-35.23
CCN(C(=O)CSC1=NN=N[N-]1)C1CCCCC1	REAL250004571350	1	36	-1.0	-39.80	291.44	5.02	-34.78
CC(=O)C1=C(C)C=C(C)C(CSC2=NN=N[N-]2)=C1C	REAL250004571351	0	34	-1.0	-41.81	295.41	6.25	-35.56
CC(=O)C1=C(C)C=C(C)C(CSC2=N[N-]N=N2)=C1C	REAL250004571351	1	34	-1.0	-42.13	295.84	6.25	-35.88
O=C(CSC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1	REAL250004571352	0	24	-1.0	-38.51	249.30	2.91	-35.60
O=C(CSC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1	REAL250004571352	1	24	-1.0	-38.04	248.89	2.92	-35.12
O=C(CSC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL250004571353	0	30	-1.0	-40.65	277.98	4.69	-35.96
O=C(CSC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1	REAL250004571353	1	30	-1.0	-41.14	278.39	4.68	-36.46
O=C(CSC1=N[N-]N=N1)NCC1CCCCC1	REAL250004571354	0	33	-1.0	-38.80	280.46	2.92	-35.88
O=C(CSC1=NN=N[N-]1)NCC1CCCCC1	REAL250004571354	1	33	-1.0	-38.34	280.05	2.93	-35.41
CC1CCCC(NC(=O)CSC2=N[N-]N=N2)C1C	REAL250004571355	0	36	-1.0	-39.44	297.25	3.53	-35.91
CC1CCCC(NC(=O)CSC2=NN=N[N-]2)C1C	REAL250004571355	1	36	-1.0	-39.00	296.84	3.54	-35.46
CCC(C)C1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571356	0	36	-1.0	-40.21	311.19	4.98	-35.23
CCC(C)C1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571356	1	36	-1.0	-39.68	310.77	4.99	-34.69
O=C(CSC1=N[N-]N=N1)NCC1=CC=C2OCOC2=C1	REAL250004571357	0	30	-1.0	-42.01	284.43	1.18	-40.83
O=C(CSC1=NN=N[N-]1)NCC1=CC=C2OCOC2=C1	REAL250004571357	1	30	-1.0	-41.55	284.02	1.19	-40.36
CCC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571358	0	30	-1.0	-40.36	275.44	3.84	-36.52
CCC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571358	1	30	-1.0	-39.88	275.03	3.85	-36.03
O=C(CSC1=NN=N[N-]1)NC1=CC=CC2=CC=CC=C21	REAL250004571359	0	30	-1.0	-40.63	274.47	4.81	-35.82
O=C(CSC1=N[N-]N=N1)NC1=CC=CC2=CC=CC=C21	REAL250004571359	1	30	-1.0	-41.07	274.88	4.80	-36.27
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C=C1F	REAL250004571360	0	24	-1.0	-36.94	243.81	2.58	-34.36
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C=C1F	REAL250004571360	1	24	-1.0	-36.51	243.40	2.59	-33.92
COC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571361	0	28	-1.0	-41.60	262.06	1.69	-39.91
COC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571361	1	28	-1.0	-41.08	261.65	1.70	-39.38
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C=C1Cl	REAL250004571362	0	24	-1.0	-36.60	252.79	3.07	-33.53
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C=C1Cl	REAL250004571362	1	24	-1.0	-36.17	252.38	3.08	-33.09
CCOC1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571363	0	31	-1.0	-40.73	282.14	2.75	-37.98
CCOC1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571363	1	31	-1.0	-40.35	281.73	2.77	-37.58
COC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1Cl	REAL250004571364	0	28	-1.0	-39.67	277.81	2.25	-37.42
COC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1Cl	REAL250004571364	1	28	-1.0	-39.16	277.40	2.26	-36.90
N#CC1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571365	0	25	-1.0	-44.73	253.14	2.79	-41.94
N#CC1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571365	1	25	-1.0	-44.17	252.73	2.80	-41.37
O=C(CSC1=N[N-]N=N1)NC1=CC=C2OCOC2=C1	REAL250004571366	0	27	-1.0	-44.24	258.65	1.05	-43.19
O=C(CSC1=NN=N[N-]1)NC1=CC=C2OCOC2=C1	REAL250004571366	1	27	-1.0	-43.71	258.23	1.05	-42.66
O=C(CSC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004571367	0	28	-1.0	-40.82	252.40	4.41	-36.41
O=C(CSC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004571367	1	28	-1.0	-41.10	252.81	4.41	-36.69
CC1CC2=CC=CC=C2N1C(=O)CSC1=NN=N[N-]1	REAL250004571368	0	31	-1.0	-40.99	270.32	5.09	-35.90
CC1CC2=CC=CC=C2N1C(=O)CSC1=N[N-]N=N1	REAL250004571368	1	31	-1.0	-41.32	270.73	5.09	-36.23
N#CC1(NC(=O)CSC2=N[N-]N=N2)CCCC1	REAL250004571369	0	28	-1.0	-44.73	258.16	1.59	-43.14
N#CC1(NC(=O)CSC2=NN=N[N-]2)CCCC1	REAL250004571369	1	28	-1.0	-44.13	257.75	1.60	-42.53
O=C(CSC1=N[N-]N=N1)N1CCSC2=CC=CC=C21	REAL250004571370	0	29	-1.0	-39.27	268.63	4.81	-34.46
O=C(CSC1=NN=N[N-]1)N1CCSC2=CC=CC=C21	REAL250004571370	1	29	-1.0	-38.76	268.21	4.82	-33.94
FC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CS2)C=C1	REAL250004571371	0	26	-1.0	-39.64	269.81	4.98	-34.66
FC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CS2)C=C1	REAL250004571371	1	26	-1.0	-39.90	270.22	4.97	-34.93
CC1CCCCC1NC(=O)NC(=O)CSC1=N[N-]N=N1	REAL250004571372	0	37	-1.0	-46.15	311.17	3.66	-42.49
CC1CCCCC1NC(=O)NC(=O)CSC1=NN=N[N-]1	REAL250004571372	1	37	-1.0	-45.52	310.76	3.68	-41.84
COCC(C)NC(=O)NC(=O)CSC1=N[N-]N=N1	REAL250004571373	0	31	-1.0	-46.05	286.56	-0.29	-46.34
COCC(C)NC(=O)NC(=O)CSC1=NN=N[N-]1	REAL250004571373	1	31	-1.0	-45.43	286.15	-0.28	-45.71
CC(C)C1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571374	0	33	-1.0	-39.78	288.37	4.51	-35.27
CC(C)C1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571374	1	33	-1.0	-39.36	287.96	4.52	-34.84
CC1=CC=C(C)C(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571375	0	30	-1.0	-40.04	271.09	3.93	-36.11
CC1=CC=C(C)C(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571375	1	30	-1.0	-40.54	271.51	3.91	-36.63
O=C(CSC1=N[N-]N=N1)NC1CCCCCCC1	REAL250004571376	0	36	-1.0	-40.30	282.50	3.05	-37.25
O=C(CSC1=NN=N[N-]1)NC1CCCCCCC1	REAL250004571376	1	36	-1.0	-39.84	282.09	3.06	-36.78
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C(C)=C1	REAL250004571377	0	30	-1.0	-39.90	271.09	3.93	-35.97
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C(C)=C1	REAL250004571377	1	30	-1.0	-40.34	271.50	3.91	-36.43
FC1=CC=CC=C1SCCSC1=N[N-]N=N1	REAL250004571378	0	24	-1.0	-39.70	245.00	5.40	-34.30
FC1=CC=CC=C1SCCSC1=NN=N[N-]1	REAL250004571378	1	24	-1.0	-39.68	244.59	5.41	-34.27
FC1=CC=C(SCCSC2=N[N-]N=N2)C=C1	REAL250004571379	0	24	-1.0	-36.51	245.64	5.43	-31.08
FC1=CC=C(SCCSC2=NN=N[N-]2)C=C1	REAL250004571379	1	24	-1.0	-36.34	245.22	5.44	-30.90
BrC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571380	0	20	-1.0	-39.73	217.01	4.66	-35.07
BrC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571380	1	20	-1.0	-39.45	216.60	4.66	-34.79
CCC1=CC=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571381	0	30	-1.0	-39.33	269.89	4.03	-35.30
CCC1=CC=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571381	1	30	-1.0	-39.76	270.31	4.02	-35.74
BrC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571382	0	20	-1.0	-37.16	220.23	4.76	-32.40
BrC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571382	1	20	-1.0	-36.90	219.82	4.76	-32.14
CC1=CC(C(=O)CSC2=N[N-]N=N2)=C(C)N1C1CC1	REAL250004571383	0	33	-1.0	-42.90	292.65	6.11	-36.79
CC1=CC(C(=O)CSC2=NN=N[N-]2)=C(C)N1C1CC1	REAL250004571383	1	33	-1.0	-42.67	292.24	6.12	-36.55
C1=CC=C(C2=CC=C(CSC3=NN=N[N-]3)C=C2)C=C1	REAL250004571384	0	30	-1.0	-38.81	272.74	7.56	-31.25
C1=CC=C(C2=CC=C(CSC3=N[N-]N=N3)C=C2)C=C1	REAL250004571384	1	30	-1.0	-39.03	273.16	7.56	-31.47
C(CC12CC3CC(CC(C3)C1)C2)SC1=N[N-]N=N1	REAL250004571385	0	37	-1.0	-37.49	277.51	6.62	-30.87
C(CC12CC3CC(CC(C3)C1)C2)SC1=NN=N[N-]1	REAL250004571385	1	37	-1.0	-37.41	277.10	6.63	-30.78
CN(C(=O)CSC1=N[N-]N=N1)C1(C#N)CCCCC1	REAL250004571386	0	34	-1.0	-46.05	285.05	3.68	-42.37
CN(C(=O)CSC1=NN=N[N-]1)C1(C#N)CCCCC1	REAL250004571386	1	34	-1.0	-45.43	284.64	3.69	-41.74
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571387	0	26	-1.0	-42.08	253.34	4.80	-37.28
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571387	1	26	-1.0	-42.33	253.75	4.80	-37.53
CC(NC(=O)CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004571388	0	30	-1.0	-39.29	292.58	3.87	-35.42
CC(NC(=O)CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004571388	1	30	-1.0	-38.80	292.17	3.88	-34.92
O=C1C2=CC=CC=C2C(=O)N1CCSC1=N[N-]N=N1	REAL250004571389	0	27	-1.0	-45.51	265.28	3.73	-41.78
O=C1C2=CC=CC=C2C(=O)N1CCSC1=NN=N[N-]1	REAL250004571389	1	27	-1.0	-45.49	264.87	3.73	-41.76
ClC1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004571390	0	20	-1.0	-36.80	229.73	5.08	-31.72
ClC1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004571390	1	20	-1.0	-36.56	229.32	5.10	-31.46
ClC1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004571391	0	20	-1.0	-35.58	230.86	5.11	-30.47
ClC1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004571391	1	20	-1.0	-35.26	230.45	5.11	-30.15
CC(SC1=NN=N[N-]1)C1=NC(=O)C2=CC=CC=C2N1	REAL250004571392	0	28	-1.0	-48.41	259.94	2.50	-45.91
CC(SC1=N[N-]N=N1)C1=NC(=O)C2=CC=CC=C2N1	REAL250004571392	1	28	-1.0	-49.07	260.89	2.48	-46.59
CC(NC(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004571393	0	30	-1.0	-40.73	288.59	3.79	-36.94
CC(NC(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004571393	1	30	-1.0	-40.23	288.18	3.80	-36.43
COC1=CC=CC(CN(C)C(=O)CSC2=N[N-]N=N2)=C1	REAL250004571394	0	34	-1.0	-45.31	305.01	3.96	-41.35
COC1=CC=CC(CN(C)C(=O)CSC2=NN=N[N-]2)=C1	REAL250004571394	1	34	-1.0	-44.88	304.60	3.97	-40.91
CC1=CC=CC=C1CN(C)C(=O)CSC1=N[N-]N=N1	REAL250004571395	0	33	-1.0	-41.60	291.13	5.79	-35.81
CC1=CC=CC=C1CN(C)C(=O)CSC1=NN=N[N-]1	REAL250004571395	1	33	-1.0	-41.14	290.72	5.80	-35.34
CC1=CC=C(CN(C)C(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571396	0	33	-1.0	-41.72	296.97	5.33	-36.39
CC1=CC=C(CN(C)C(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571396	1	33	-1.0	-41.27	296.56	5.35	-35.92
CN(CC1=CC=C(F)C=C1)C(=O)CSC1=N[N-]N=N1	REAL250004571397	0	30	-1.0	-41.83	281.96	4.73	-37.10
CN(CC1=CC=C(F)C=C1)C(=O)CSC1=NN=N[N-]1	REAL250004571397	1	30	-1.0	-41.28	281.55	4.74	-36.54
CN(CC1=CC=CS1)C(=O)CSC1=N[N-]N=N1	REAL250004571398	0	27	-1.0	-39.92	266.69	3.77	-36.15
CN(CC1=CC=CS1)C(=O)CSC1=NN=N[N-]1	REAL250004571398	1	27	-1.0	-39.47	266.28	3.78	-35.69
CN(CC1=CC=CO1)C(=O)CSC1=N[N-]N=N1	REAL250004571399	0	27	-1.0	-41.38	257.21	2.80	-38.58
CN(CC1=CC=CO1)C(=O)CSC1=NN=N[N-]1	REAL250004571399	1	27	-1.0	-40.90	256.80	2.81	-38.09
ClC1=CC=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004571400	0	20	-1.0	-40.68	226.63	5.01	-35.67
ClC1=CC=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004571400	1	20	-1.0	-40.91	227.04	5.00	-35.91
CC1=CC(C(C)(C)C)=CC(C)=C1CSC1=NN=N[N-]1	REAL250004571401	0	38	-1.0	-38.06	308.75	7.54	-30.52
CC1=CC(C(C)(C)C)=CC(C)=C1CSC1=N[N-]N=N1	REAL250004571401	1	38	-1.0	-38.25	309.16	7.53	-30.72
CC(C)N(C(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571402	0	33	-1.0	-39.62	276.44	4.94	-34.68
CC(C)N(C(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571402	1	33	-1.0	-40.11	276.85	4.94	-35.17
ClC1=CC=C(C2=CN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571403	0	26	-1.0	-38.25	270.85	3.13	-35.12
ClC1=CC=C(C2=CN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571403	1	26	-1.0	-37.97	270.44	3.14	-34.83
COC1=CC=CC=C1CN(C)C(=O)CSC1=N[N-]N=N1	REAL250004571404	0	34	-1.0	-42.62	298.05	5.28	-37.34
COC1=CC=CC=C1CN(C)C(=O)CSC1=NN=N[N-]1	REAL250004571404	1	34	-1.0	-42.18	297.64	5.29	-36.89
FC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571405	0	25	-1.0	-34.32	255.83	2.85	-31.47
FC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571405	1	25	-1.0	-34.69	256.24	2.85	-31.84
CC1=CC=CN2C(=O)C=C(CSC3=NN=N[N-]3)N=C12	REAL250004571406	0	28	-1.0	-46.99	263.50	4.79	-42.20
CC1=CC=CN2C(=O)C=C(CSC3=N[N-]N=N3)N=C12	REAL250004571406	1	28	-1.0	-47.09	263.91	4.79	-42.30
ClC1=CC=CC(C2=CN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004571407	0	26	-1.0	-37.82	270.86	3.12	-34.70
ClC1=CC=CC(C2=CN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004571407	1	26	-1.0	-37.58	270.45	3.13	-34.45
C1=CSC(C2=NOC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004571408	0	22	-1.0	-36.44	240.33	1.79	-34.65
C1=CSC(C2=NOC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004571408	1	22	-1.0	-36.77	240.74	1.78	-34.99
CCCC(NC(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571409	0	36	-1.0	-39.41	311.17	4.72	-34.69
CCCC(NC(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571409	1	36	-1.0	-38.92	310.76	4.73	-34.19
COC1=CC(CSC2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004571410	0	28	-1.0	-40.42	267.45	3.62	-36.80
COC1=CC(CSC2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004571410	1	28	-1.0	-40.17	267.04	3.62	-36.55
O=C1C2=CC=CC=C2C(=O)N1CCCSC1=N[N-]N=N1	REAL250004571411	0	30	-1.0	-44.68	286.78	4.51	-40.17
O=C1C2=CC=CC=C2C(=O)N1CCCSC1=NN=N[N-]1	REAL250004571411	1	30	-1.0	-44.51	286.37	4.53	-39.98
CC(SC1=N[N-]N=N1)C(=O)N(C)CC1=CC=CC(F)=C1	REAL250004571412	0	33	-1.0	-40.75	295.94	5.28	-35.47
CC(SC1=NN=N[N-]1)C(=O)N(C)CC1=CC=CC(F)=C1	REAL250004571412	1	33	-1.0	-40.22	294.98	5.26	-34.96
ClC1=CC=C(Cl)C(OCCSC2=N[N-]N=N2)=C1	REAL250004571413	0	24	-1.0	-37.51	261.67	4.80	-32.71
ClC1=CC=C(Cl)C(OCCSC2=NN=N[N-]2)=C1	REAL250004571413	1	24	-1.0	-37.46	261.26	4.81	-32.65
CC1CCC(N(C)C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571414	0	36	-1.0	-40.12	283.49	4.66	-35.46
CC1CCC(N(C)C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571414	1	36	-1.0	-39.66	283.08	4.67	-34.99
CC1=CC=CC(OCCNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571415	0	34	-1.0	-41.91	309.67	2.81	-39.10
CC1=CC=CC(OCCNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571415	1	34	-1.0	-41.49	309.26	2.82	-38.67
O=C(CSC1=N[N-]N=N1)NCCOC1=CC=CC=C1	REAL250004571416	0	31	-1.0	-41.76	288.26	2.13	-39.63
O=C(CSC1=NN=N[N-]1)NCCOC1=CC=CC=C1	REAL250004571416	1	31	-1.0	-41.32	287.85	2.14	-39.18
CCCNC(=O)CN(C)C(=O)CSC1=N[N-]N=N1	REAL250004571417	0	33	-1.0	-47.71	298.12	1.15	-46.56
CCCNC(=O)CN(C)C(=O)CSC1=NN=N[N-]1	REAL250004571417	1	33	-1.0	-47.22	297.71	1.16	-46.06
CC(C1=CC=CC=C1)N(C)C(=O)CSC1=N[N-]N=N1	REAL250004571418	0	33	-1.0	-40.54	286.29	5.08	-35.46
CC(C1=CC=CC=C1)N(C)C(=O)CSC1=NN=N[N-]1	REAL250004571418	1	33	-1.0	-40.07	285.88	5.08	-34.99
ClC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571419	0	25	-1.0	-34.18	266.15	3.30	-30.88
ClC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571419	1	25	-1.0	-34.50	266.56	3.30	-31.20
COC1=CC=CC=C1C(C)NC(=O)CSC1=N[N-]N=N1	REAL250004571420	0	34	-1.0	-41.97	303.16	2.75	-39.22
COC1=CC=CC=C1C(C)NC(=O)CSC1=NN=N[N-]1	REAL250004571420	1	34	-1.0	-41.55	302.75	2.76	-38.79
O=S(=O)(CCSC1=N[N-]N=N1)OC1=CC=CC=C1	REAL250004571421	0	27	-1.0	-45.50	265.98	2.13	-43.37
O=S(=O)(CCSC1=NN=N[N-]1)OC1=CC=CC=C1	REAL250004571421	1	27	-1.0	-45.48	265.57	2.15	-43.33
COC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571422	0	29	-1.0	-36.23	278.87	2.09	-34.14
COC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571422	1	29	-1.0	-36.58	279.28	2.09	-34.49
N#CCC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571423	0	28	-1.0	-45.76	274.79	3.57	-42.19
N#CCC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571423	1	28	-1.0	-45.34	274.38	3.57	-41.77
O=C(CSC1=N[N-]N=N1)NCCC1=CC=CS1	REAL250004571424	0	27	-1.0	-40.57	270.09	2.38	-38.19
O=C(CSC1=NN=N[N-]1)NCCC1=CC=CS1	REAL250004571424	1	27	-1.0	-40.06	269.68	2.39	-37.67
CC(SC1=N[N-]N=N1)C(=O)NCCC1=CC=CS1	REAL250004571425	0	30	-1.0	-40.87	287.47	3.07	-37.80
CC(SC1=NN=N[N-]1)C(=O)NCCC1=CC=CS1	REAL250004571425	1	30	-1.0	-40.36	286.52	3.07	-37.29
O=C(CSC1=N[N-]N=N1)N1CCCC2CCCCC21	REAL250004571426	0	37	-1.0	-39.62	291.99	4.98	-34.64
O=C(CSC1=NN=N[N-]1)N1CCCC2CCCCC21	REAL250004571426	1	37	-1.0	-39.11	291.58	4.99	-34.12
C1=CC2=C(C=C1)C1=C(C=CC=C1)C(CSC1=NN=N[N-]1)=N2	REAL250004571427	0	31	-1.0	-44.87	279.88	6.51	-38.36
C1=CC2=C(C=C1)C1=C(C=CC=C1)C(CSC1=N[N-]N=N1)=N2	REAL250004571427	1	31	-1.0	-44.97	280.29	6.51	-38.46
FC1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004571428	0	27	-1.0	-37.02	256.82	4.58	-32.44
FC1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571428	1	27	-1.0	-36.72	256.41	4.59	-32.13
CN(CC1=CC=CC=C1F)C(=O)CSC1=N[N-]N=N1	REAL250004571429	0	30	-1.0	-39.51	276.05	4.51	-35.00
CN(CC1=CC=CC=C1F)C(=O)CSC1=NN=N[N-]1	REAL250004571429	1	30	-1.0	-39.10	275.64	4.52	-34.58
NC(=O)C1CCCCN1C(=O)CSC1=N[N-]N=N1	REAL250004571430	0	31	-1.0	-48.32	267.43	0.58	-47.74
NC(=O)C1CCCCN1C(=O)CSC1=NN=N[N-]1	REAL250004571430	1	31	-1.0	-47.88	267.01	0.58	-47.30
CC1=CC=CC=C1CCNC(=O)CSC1=N[N-]N=N1	REAL250004571431	0	33	-1.0	-40.75	295.20	3.75	-37.00
CC1=CC=CC=C1CCNC(=O)CSC1=NN=N[N-]1	REAL250004571431	1	33	-1.0	-40.25	294.79	3.76	-36.49
CC1=CC=CC=C1CNC(=O)CSC1=N[N-]N=N1	REAL250004571432	0	30	-1.0	-39.25	275.50	3.31	-35.94
CC1=CC=CC=C1CNC(=O)CSC1=NN=N[N-]1	REAL250004571432	1	30	-1.0	-38.79	275.09	3.32	-35.47
FC1=CC=C(C2=CN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571433	0	26	-1.0	-38.39	260.12	2.68	-35.71
FC1=CC=C(C2=CN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571433	1	26	-1.0	-38.62	260.53	2.67	-35.95
CCC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571434	0	31	-1.0	-36.08	292.31	4.22	-31.86
CCC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571434	1	31	-1.0	-36.41	292.72	4.22	-32.19
ClC1=CC=CC(C2=NOC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004571435	0	25	-1.0	-35.93	266.16	3.29	-32.64
ClC1=CC=CC(C2=NOC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004571435	1	25	-1.0	-36.22	266.57	3.29	-32.93
CC(SC1=NN=N[N-]1)C1=NN=C(C2=CC=CS2)O1	REAL250004571436	0	25	-1.0	-38.60	257.21	-0.14	-38.74
CC(SC1=N[N-]N=N1)C1=NN=C(C2=CC=CS2)O1	REAL250004571436	1	25	-1.0	-38.94	258.16	-0.14	-39.08
CCN(CC)C(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571437	0	36	-1.0	-39.84	309.05	6.10	-33.74
CCN(CC)C(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571437	1	36	-1.0	-40.22	310.59	6.07	-34.15
O=C(NC1CC1)C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571438	0	31	-1.0	-38.77	281.77	3.96	-34.81
O=C(NC1CC1)C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571438	1	31	-1.0	-39.14	283.31	3.93	-35.21
ClC1=CC(CSC2=N[N-]N=N2)=CC2=C1OCCCO2	REAL250004571439	0	29	-1.0	-37.91	277.82	4.63	-33.28
ClC1=CC(CSC2=NN=N[N-]2)=CC2=C1OCCCO2	REAL250004571439	1	29	-1.0	-37.70	277.41	4.63	-33.07
CC1=CC=C(C2=NN=C(C(C)SC3=NN=N[N-]3)O2)C=C1	REAL250004571440	0	31	-1.0	-38.22	287.73	1.54	-36.68
CC1=CC=C(C2=NN=C(C(C)SC3=N[N-]N=N3)O2)C=C1	REAL250004571440	1	31	-1.0	-38.60	288.69	1.53	-37.07
ClC1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004571441	0	27	-1.0	-36.62	267.14	5.03	-31.59
ClC1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571441	1	27	-1.0	-36.29	266.73	5.04	-31.25
CC(C)(C)C1=NOC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571442	0	32	-1.0	-43.04	291.54	2.89	-40.15
CC(C)(C)C1=NOC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571442	1	32	-1.0	-43.64	291.95	2.88	-40.76
ClC1=CC(CSC2=N[N-]N=N2)=CC2=C1OCCO2	REAL250004571443	0	26	-1.0	-39.09	259.41	3.83	-35.26
ClC1=CC(CSC2=NN=N[N-]2)=CC2=C1OCCO2	REAL250004571443	1	26	-1.0	-38.80	259.00	3.84	-34.96
C1=CC=C(N2N=NN=C2CSC2=NN=N[N-]2)C=C1	REAL250004571444	0	25	-1.0	-36.03	241.02	3.16	-32.87
C1=CC=C(N2N=NN=C2CSC2=N[N-]N=N2)C=C1	REAL250004571444	1	25	-1.0	-36.28	241.44	3.16	-33.12
CC1=NN(C)C(C)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571445	0	30	-1.0	-44.39	277.18	1.14	-43.25
CC1=NN(C)C(C)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571445	1	30	-1.0	-43.85	276.78	1.15	-42.70
CN(C)C1=CC=C(CNC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571446	0	35	-1.0	-40.38	309.48	2.91	-37.47
CN(C)C1=CC=C(CNC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571446	1	35	-1.0	-39.99	309.06	2.92	-37.07
CC(C)CCCC(C)NC(=O)CSC1=N[N-]N=N1	REAL250004571447	0	38	-1.0	-39.70	321.77	4.12	-35.58
CC(C)CCCC(C)NC(=O)CSC1=NN=N[N-]1	REAL250004571447	1	38	-1.0	-39.20	321.36	4.14	-35.06
CCCCCC(C)NC(=O)CSC1=N[N-]N=N1	REAL250004571448	0	35	-1.0	-39.72	304.21	3.61	-36.11
CCCCCC(C)NC(=O)CSC1=NN=N[N-]1	REAL250004571448	1	35	-1.0	-39.23	303.80	3.62	-35.61
COC(=O)C(CC(C)C)NC(=O)CSC1=N[N-]N=N1	REAL250004571449	0	35	-1.0	-43.41	312.37	2.81	-40.60
COC(=O)C(CC(C)C)NC(=O)CSC1=NN=N[N-]1	REAL250004571449	1	35	-1.0	-42.91	311.95	2.82	-40.09
CCC(C)C(NC(=O)CSC1=N[N-]N=N1)C(=O)OC	REAL250004571450	0	35	-1.0	-39.18	302.19	2.61	-36.57
CCC(C)C(NC(=O)CSC1=NN=N[N-]1)C(=O)OC	REAL250004571450	1	35	-1.0	-38.90	301.78	2.62	-36.28
O=C1C=C(CSC2=NN=N[N-]2)N=C2C=CC=CN12	REAL250004571451	0	25	-1.0	-47.30	243.50	3.92	-43.38
O=C1C=C(CSC2=N[N-]N=N2)N=C2C=CC=CN12	REAL250004571451	1	25	-1.0	-47.48	243.91	3.92	-43.56
C1=CC=C(C2=NOC(CCCSC3=NN=N[N-]3)=N2)C=C1	REAL250004571452	0	31	-1.0	-40.91	292.43	4.35	-36.56
C1=CC=C(C2=NOC(CCCSC3=N[N-]N=N3)=N2)C=C1	REAL250004571452	1	31	-1.0	-41.27	292.84	4.34	-36.93
CN(C)C(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571453	0	30	-1.0	-47.67	270.49	4.09	-43.58
CN(C)C(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571453	1	30	-1.0	-48.16	271.43	4.09	-44.07
CC1=CC=CC(C2=NN=C(C(C)SC3=NN=N[N-]3)O2)=C1	REAL250004571455	0	31	-1.0	-38.40	287.78	1.51	-36.89
CC1=CC=CC(C2=NN=C(C(C)SC3=N[N-]N=N3)O2)=C1	REAL250004571455	1	31	-1.0	-38.74	288.73	1.52	-37.22
CCN(CC1=CC=CC(F)=C1)C(=O)CSC1=N[N-]N=N1	REAL250004571456	0	33	-1.0	-44.39	301.87	5.64	-38.75
CCN(CC1=CC=CC(F)=C1)C(=O)CSC1=NN=N[N-]1	REAL250004571456	1	33	-1.0	-43.94	301.46	5.65	-38.29
CC1=CC=C(CN(C)C(=O)CSC2=N[N-]N=N2)O1	REAL250004571457	0	30	-1.0	-41.37	279.13	3.62	-37.75
CC1=CC=C(CN(C)C(=O)CSC2=NN=N[N-]2)O1	REAL250004571457	1	30	-1.0	-40.93	278.72	3.63	-37.30
CCOC(=O)C1CCCCN1C(=O)CSC1=N[N-]N=N1	REAL250004571458	0	36	-1.0	-46.19	307.22	5.23	-40.96
CCOC(=O)C1CCCCN1C(=O)CSC1=NN=N[N-]1	REAL250004571458	1	36	-1.0	-45.60	306.81	5.23	-40.37
CC(=O)N1CCC(NC(=O)CSC2=N[N-]N=N2)CC1	REAL250004571459	0	34	-1.0	-46.66	295.11	0.97	-45.69
CC(=O)N1CCC(NC(=O)CSC2=NN=N[N-]2)CC1	REAL250004571459	1	34	-1.0	-46.16	294.70	0.98	-45.18
O=C(CSC1=N[N-]N=N1)NCC1=CC=CC=C1F	REAL250004571460	0	27	-1.0	-41.16	264.05	2.54	-38.62
O=C(CSC1=NN=N[N-]1)NCC1=CC=CC=C1F	REAL250004571460	1	27	-1.0	-40.75	263.64	2.55	-38.20
CC1=CC=CC2=C1NC(CSC1=NN=N[N-]1)=NC2=O	REAL250004571461	0	28	-1.0	-48.44	261.08	2.94	-45.50
CC1=CC=CC2=C1NC(CSC1=N[N-]N=N1)=NC2=O	REAL250004571461	1	28	-1.0	-49.16	261.49	2.94	-46.22
CCCCN(CCCC)C(=O)CSC1=N[N-]N=N1	REAL250004571462	0	38	-1.0	-40.07	322.52	5.65	-34.42
CCCCN(CCCC)C(=O)CSC1=NN=N[N-]1	REAL250004571462	1	38	-1.0	-39.72	322.10	5.66	-34.06
CCC1=CC=C(CN(C)C(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571463	0	36	-1.0	-41.62	318.46	6.10	-35.52
CCC1=CC=C(CN(C)C(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571463	1	36	-1.0	-41.11	318.04	6.11	-35.00
COC1=CC=CC=C1CCNC(=O)CSC1=N[N-]N=N1	REAL250004571464	0	34	-1.0	-42.26	308.19	2.64	-39.62
COC1=CC=CC=C1CCNC(=O)CSC1=NN=N[N-]1	REAL250004571464	1	34	-1.0	-41.81	307.78	2.65	-39.16
CC(C)(C)C1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004571465	0	39	-1.0	-37.37	326.58	6.83	-30.54
CC(C)(C)C1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571465	1	39	-1.0	-37.13	326.17	6.84	-30.29
CC1=CC=C(C)C(OCCCSC2=N[N-]N=N2)=C1	REAL250004571466	0	33	-1.0	-37.95	291.89	5.93	-32.02
CC1=CC=C(C)C(OCCCSC2=NN=N[N-]2)=C1	REAL250004571466	1	33	-1.0	-37.68	291.48	5.94	-31.74
CC1=CC(C)=CC(OCCCSC2=N[N-]N=N2)=C1	REAL250004571467	0	33	-1.0	-38.03	293.23	5.84	-32.19
CC1=CC(C)=CC(OCCCSC2=NN=N[N-]2)=C1	REAL250004571467	1	33	-1.0	-37.77	292.81	5.85	-31.92
COC1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004571468	0	31	-1.0	-38.30	279.91	3.79	-34.51
COC1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571468	1	31	-1.0	-37.99	279.49	3.81	-34.18
O=C(CSC1=N[N-]N=N1)NC(=O)NC1=CC=CC=C1	REAL250004571469	0	28	-1.0	-47.80	268.10	2.46	-45.34
O=C(CSC1=NN=N[N-]1)NC(=O)NC1=CC=CC=C1	REAL250004571469	1	28	-1.0	-47.16	267.69	2.47	-44.69
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1Cl	REAL250004571470	0	27	-1.0	-38.74	263.75	3.71	-35.03
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1Cl	REAL250004571470	1	27	-1.0	-38.28	262.80	3.70	-34.58
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=C(Cl)C=C1	REAL250004571471	0	30	-1.0	-39.18	292.48	3.73	-35.45
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=C(Cl)C=C1	REAL250004571471	1	30	-1.0	-38.67	291.52	3.73	-34.94
CC1=CC=C(C)C(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571472	0	33	-1.0	-39.93	287.79	4.61	-35.32
CC1=CC=C(C)C(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571472	1	33	-1.0	-40.43	288.74	4.61	-35.82
CC(SC1=N[N-]N=N1)C(=O)NC1CCS(=O)(=O)C1	REAL250004571473	0	30	-1.0	-47.50	279.94	-1.71	-49.21
CC(SC1=NN=N[N-]1)C(=O)NC1CCS(=O)(=O)C1	REAL250004571473	1	30	-1.0	-46.88	278.99	-1.71	-48.59
CC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C(C)=C1	REAL250004571474	0	33	-1.0	-39.94	288.76	4.66	-35.28
CC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C(C)=C1	REAL250004571474	1	33	-1.0	-40.48	289.71	4.66	-35.82
CCOC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C=C1	REAL250004571475	0	34	-1.0	-41.48	301.03	3.31	-38.17
CCOC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C=C1	REAL250004571475	1	34	-1.0	-40.98	300.07	3.31	-37.67
CC(SC1=N[N-]N=N1)C(=O)NCCC1=CC=CC=C1	REAL250004571476	0	33	-1.0	-40.95	297.24	3.97	-36.98
CC(SC1=NN=N[N-]1)C(=O)NCCC1=CC=CC=C1	REAL250004571476	1	33	-1.0	-40.42	296.29	3.97	-36.45
COC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C=C1	REAL250004571477	0	31	-1.0	-41.82	279.04	2.39	-39.43
COC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C=C1	REAL250004571477	1	31	-1.0	-41.30	278.08	2.39	-38.91
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CC(F)=C1	REAL250004571478	0	27	-1.0	-38.59	256.07	3.17	-35.42
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CC(F)=C1	REAL250004571478	1	27	-1.0	-38.03	255.12	3.16	-34.87
O=C(CSC1=N[N-]N=N1)NC(=O)NCC1=CC=CS1	REAL250004571479	0	28	-1.0	-45.65	284.15	1.80	-43.85
O=C(CSC1=NN=N[N-]1)NC(=O)NCC1=CC=CS1	REAL250004571479	1	28	-1.0	-45.03	283.74	1.81	-43.22
CN(C)C(=O)CC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571480	0	29	-1.0	-47.76	283.64	2.06	-45.70
CN(C)C(=O)CC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571480	1	29	-1.0	-47.69	283.23	2.07	-45.62
C1=CN(C2=CC=C(CSC3=N[N-]N=N3)C=C2)C=N1	REAL250004571481	0	27	-1.0	-40.11	254.90	6.53	-33.58
C1=CN(C2=CC=C(CSC3=NN=N[N-]3)C=C2)C=N1	REAL250004571481	1	27	-1.0	-39.77	254.49	6.53	-33.24
CC1=C(Cl)C=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571482	0	30	-1.0	-38.32	281.36	4.37	-33.95
CC1=C(Cl)C=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571482	1	30	-1.0	-37.80	280.41	4.37	-33.43
CC(C)C1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571483	0	36	-1.0	-39.65	305.74	5.20	-34.45
CC(C)C1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571483	1	36	-1.0	-39.20	304.79	5.20	-34.00
COC1=CC=C(C)C=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571484	0	34	-1.0	-41.27	298.93	3.19	-38.08
COC1=CC=C(C)C=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571484	1	34	-1.0	-40.87	297.98	3.19	-37.68
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=CN=C1Cl	REAL250004571485	0	26	-1.0	-38.52	258.73	1.90	-36.62
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=CN=C1Cl	REAL250004571485	1	26	-1.0	-38.87	259.68	1.89	-36.98
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C=C1F	REAL250004571486	0	27	-1.0	-36.90	261.05	3.27	-33.63
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C=C1F	REAL250004571486	1	27	-1.0	-36.44	260.10	3.27	-33.17
CC(SC1=N[N-]N=N1)C(=O)NC1=CC(F)=CC=C1F	REAL250004571487	0	27	-1.0	-39.86	261.86	3.27	-36.59
CC(SC1=NN=N[N-]1)C(=O)NC1=CC(F)=CC=C1F	REAL250004571487	1	27	-1.0	-39.39	260.91	3.27	-36.12
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CC=C1Cl	REAL250004571488	0	30	-1.0	-40.12	290.13	3.67	-36.45
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CC=C1Cl	REAL250004571488	1	30	-1.0	-39.70	289.18	3.67	-36.03
CC(SC1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL250004571489	0	27	-1.0	-43.69	266.70	3.33	-40.36
CC(SC1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL250004571489	1	27	-1.0	-43.28	265.75	3.33	-39.95
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C(F)=C1	REAL250004571490	0	27	-1.0	-38.42	262.37	3.22	-35.20
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C(F)=C1	REAL250004571490	1	27	-1.0	-37.87	261.42	3.22	-34.65
CCOC1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571491	0	34	-1.0	-40.72	299.52	3.44	-37.28
CCOC1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571491	1	34	-1.0	-40.30	298.57	3.44	-36.86
CC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C=C1F	REAL250004571492	0	30	-1.0	-42.34	276.37	3.81	-38.53
CC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C=C1F	REAL250004571492	1	30	-1.0	-41.83	275.42	3.81	-38.02
COC1=CC=CC=C1CNC(=O)C(C)SC1=N[N-]N=N1	REAL250004571493	0	34	-1.0	-41.57	304.18	2.54	-39.03
COC1=CC=CC=C1CNC(=O)C(C)SC1=NN=N[N-]1	REAL250004571493	1	34	-1.0	-41.15	303.23	2.54	-38.61
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=C(F)C=C1	REAL250004571494	0	30	-1.0	-39.61	282.15	3.27	-36.34
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=C(F)C=C1	REAL250004571494	1	30	-1.0	-39.11	281.20	3.27	-35.84
CC1=CC=C(Cl)C=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571495	0	30	-1.0	-40.96	284.06	4.46	-36.50
CC1=CC=C(Cl)C=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571495	1	30	-1.0	-40.46	283.11	4.45	-36.01
CC1=CC=CC(C)=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571496	0	33	-1.0	-39.89	289.12	4.82	-35.07
CC1=CC=CC(C)=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571496	1	33	-1.0	-40.34	290.07	4.82	-35.52
CC1=CC=C(CNC(=O)C(C)SC2=N[N-]N=N2)C=C1	REAL250004571497	0	33	-1.0	-39.46	297.15	3.88	-35.58
CC1=CC=C(CNC(=O)C(C)SC2=NN=N[N-]2)C=C1	REAL250004571497	1	33	-1.0	-38.99	296.20	3.88	-35.11
CC(=O)C1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571498	0	32	-1.0	-45.33	288.16	4.01	-41.32
CC(=O)C1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571498	1	32	-1.0	-45.03	287.20	4.01	-41.02
CC(SC1=N[N-]N=N1)C(=O)NC1=C(C(N)=O)C=CS1	REAL250004571499	0	28	-1.0	-42.99	270.98	-0.80	-43.79
CC(SC1=NN=N[N-]1)C(=O)NC1=C(C(N)=O)C=CS1	REAL250004571499	1	28	-1.0	-42.70	270.03	-0.80	-43.50
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CS1	REAL250004571500	0	27	-1.0	-39.39	265.83	2.30	-37.09
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CS1	REAL250004571500	1	27	-1.0	-38.87	264.88	2.30	-36.57
CC1=CC(NC(=O)C(C)SC2=N[N-]N=N2)=NO1	REAL250004571501	0	26	-1.0	-39.06	245.85	2.28	-36.78
CC1=CC(NC(=O)C(C)SC2=NN=N[N-]2)=NO1	REAL250004571501	1	26	-1.0	-38.71	244.90	2.28	-36.43
CC(SC1=N[N-]N=N1)C(=O)N1CCCCCC1	REAL250004571502	0	33	-1.0	-40.79	266.39	4.25	-36.54
CC(SC1=NN=N[N-]1)C(=O)N1CCCCCC1	REAL250004571502	1	33	-1.0	-40.27	265.46	4.25	-36.02
CC(C)N(C(=O)C(C)SC1=N[N-]N=N1)C(C)C	REAL250004571503	0	35	-1.0	-39.86	281.43	4.12	-35.74
CC(C)N(C(=O)C(C)SC1=NN=N[N-]1)C(C)C	REAL250004571503	1	35	-1.0	-39.35	280.45	4.14	-35.21
CC(C)NC(=O)NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571504	0	30	-1.0	-46.84	272.02	1.21	-45.63
CC(C)NC(=O)NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571504	1	30	-1.0	-46.14	271.07	1.21	-44.93
FC1=CC2=C(OCOC2)C(CSC2=NN=N[N-]2)=C1	REAL250004571505	0	26	-1.0	-40.70	248.09	3.36	-37.34
FC1=CC2=C(OCOC2)C(CSC2=N[N-]N=N2)=C1	REAL250004571505	1	26	-1.0	-40.85	248.51	3.35	-37.50
O=C1N=C(CSC2=NN=N[N-]2)NC2=CC=C(Cl)C=C12	REAL250004571506	0	25	-1.0	-48.07	259.67	2.69	-45.38
O=C1N=C(CSC2=N[N-]N=N2)NC2=CC=C(Cl)C=C12	REAL250004571506	1	25	-1.0	-48.83	260.08	2.68	-46.15
O=C1C=C(CSC2=N[N-]N=N2)N=C2C=CC(Cl)=CN12	REAL250004571507	0	25	-1.0	-42.45	260.64	4.43	-38.02
O=C1C=C(CSC2=NN=N[N-]2)N=C2C=CC(Cl)=CN12	REAL250004571507	1	25	-1.0	-42.26	260.23	4.43	-37.83
C1=CC(C2=NOC(CSC3=NN=N[N-]3)=N2)=CS1	REAL250004571508	0	22	-1.0	-36.02	239.63	1.67	-34.35
C1=CC(C2=NOC(CSC3=N[N-]N=N3)=N2)=CS1	REAL250004571508	1	22	-1.0	-36.39	240.04	1.66	-34.73
COC1=CC=C(Cl)C=C1CSC1=NN=N[N-]1	REAL250004571509	0	24	-1.0	-40.11	243.43	4.03	-36.08
COC1=CC=C(Cl)C=C1CSC1=N[N-]N=N1	REAL250004571509	1	24	-1.0	-40.34	243.84	4.02	-36.32
O=C(CSC1=N[N-]N=N1)NC1CCOC2=CC=CC=C21	REAL250004571510	0	32	-1.0	-41.64	283.01	2.34	-39.30
O=C(CSC1=NN=N[N-]1)NC1CCOC2=CC=CC=C21	REAL250004571510	1	32	-1.0	-41.28	282.60	2.35	-38.93
CCCCNC(=O)NC(=O)CSC1=N[N-]N=N1	REAL250004571511	0	30	-1.0	-46.47	277.01	1.24	-45.23
CCCCNC(=O)NC(=O)CSC1=NN=N[N-]1	REAL250004571511	1	30	-1.0	-45.84	276.60	1.25	-44.59
C1=CSC(C2=CC(CSC3=NN=N[N-]3)=NO2)=C1	REAL250004571512	0	23	-1.0	-38.73	245.50	4.33	-34.40
C1=CSC(C2=CC(CSC3=N[N-]N=N3)=NO2)=C1	REAL250004571512	1	23	-1.0	-38.91	245.91	4.32	-34.59
CC(=O)C1=C(C)NC(C(=O)C(C)SC2=NN=N[N-]2)=C1C	REAL250004571513	0	34	-1.0	-42.02	305.70	4.32	-37.70
CC(=O)C1=C(C)NC(C(=O)C(C)SC2=N[N-]N=N2)=C1C	REAL250004571513	1	34	-1.0	-42.52	306.65	4.32	-38.20
CC1=NN(C)C(C)=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571514	0	33	-1.0	-44.26	295.61	1.88	-42.38
CC1=NN(C)C(C)=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571514	1	33	-1.0	-43.66	294.66	1.88	-41.78
CC1=CC(=O)N2N=C(CSC3=N[N-]N=N3)SC2=N1	REAL250004571515	0	24	-1.0	-44.67	252.95	2.26	-42.41
CC1=CC(=O)N2N=C(CSC3=NN=N[N-]3)SC2=N1	REAL250004571515	1	24	-1.0	-44.01	252.54	2.28	-41.73
NC(=O)C1=CC=C(CSC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004571516	0	26	-1.0	-50.92	256.48	1.48	-49.44
NC(=O)C1=CC=C(CSC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004571516	1	26	-1.0	-51.19	256.89	1.48	-49.71
ClC1=CC(CSC2=N[N-]N=N2)=CC2=C1OCO2	REAL250004571517	0	23	-1.0	-37.47	241.74	3.32	-34.15
ClC1=CC(CSC2=NN=N[N-]2)=CC2=C1OCO2	REAL250004571517	1	23	-1.0	-37.15	241.33	3.32	-33.83
CN1C(=O)C2=CC=CC=C2N=C1CSC1=NN=N[N-]1	REAL250004571518	0	28	-1.0	-40.03	259.74	4.39	-35.64
CN1C(=O)C2=CC=CC=C2N=C1CSC1=N[N-]N=N1	REAL250004571518	1	28	-1.0	-40.43	260.15	4.39	-36.04
C1=CC=C(C2=NC(CSC3=NN=N[N-]3)=NO2)C=C1	REAL250004571519	0	25	-1.0	-39.69	249.59	2.66	-37.03
C1=CC=C(C2=NC(CSC3=N[N-]N=N3)=NO2)C=C1	REAL250004571519	1	25	-1.0	-39.89	250.00	2.65	-37.24
C1=CSC(C2=NC(CSC3=NN=N[N-]3)=NO2)=C1	REAL250004571520	0	22	-1.0	-39.46	239.99	1.65	-37.81
C1=CSC(C2=NC(CSC3=N[N-]N=N3)=NO2)=C1	REAL250004571520	1	22	-1.0	-39.63	240.40	1.64	-37.99
CCOC1=CC=C(OC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571521	0	30	-1.0	-38.23	283.12	4.90	-33.33
CCOC1=CC=C(OC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571521	1	30	-1.0	-37.89	282.71	4.91	-32.98
O=C(CSC1=N[N-]N=N1)NC(=O)NCC(F)(F)F	REAL250004571522	0	24	-1.0	-44.64	253.33	0.17	-44.47
O=C(CSC1=NN=N[N-]1)NC(=O)NCC(F)(F)F	REAL250004571522	1	24	-1.0	-44.05	252.92	0.18	-43.87
ClC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CO2)C=C1	REAL250004571523	0	26	-1.0	-39.63	271.91	3.06	-36.57
ClC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CO2)C=C1	REAL250004571523	1	26	-1.0	-39.93	272.33	3.06	-36.87
FC(F)(F)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571524	0	23	-1.0	-35.91	237.68	5.15	-30.76
FC(F)(F)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571524	1	23	-1.0	-35.56	237.27	5.15	-30.41
COC1=CC=C(C2=NN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571525	0	29	-1.0	-38.49	279.91	-0.60	-39.09
COC1=CC=C(C2=NN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571525	1	29	-1.0	-38.19	279.50	-0.59	-38.78
CC(SC1=NN=N[N-]1)C1=NC(C2=CC=CC=C2)=NO1	REAL250004571526	0	28	-1.0	-36.32	265.85	3.47	-32.85
CC(SC1=N[N-]N=N1)C1=NC(C2=CC=CC=C2)=NO1	REAL250004571526	1	28	-1.0	-36.55	266.81	3.47	-33.08
CC(=O)C1=CC=CC(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571527	0	32	-1.0	-50.10	290.17	3.49	-46.61
CC(=O)C1=CC=CC(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571527	1	32	-1.0	-49.58	289.22	3.49	-46.09
O=C(CSC1=N[N-]N=N1)NNC(=O)C1=CC=CS1	REAL250004571528	0	25	-1.0	-40.66	263.32	0.27	-40.39
O=C(CSC1=NN=N[N-]1)NNC(=O)C1=CC=CS1	REAL250004571528	1	25	-1.0	-40.29	262.91	0.28	-40.01
O=C1C=C(CSC2=NN=N[N-]2)C2=CC=C(O)C=C2O1	REAL250004571529	0	26	-1.0	-38.76	253.68	2.67	-36.09
O=C1C=C(CSC2=N[N-]N=N2)C2=CC=C(O)C=C2O1	REAL250004571529	1	26	-1.0	-39.12	254.10	2.66	-36.46
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C=N1	REAL250004571530	0	26	-1.0	-42.87	261.60	3.27	-39.60
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=N1	REAL250004571530	1	26	-1.0	-43.46	262.55	3.28	-40.18
C1=C(CSC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL250004571531	0	26	-1.0	-38.37	263.56	5.15	-33.22
C1=C(CSC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL250004571531	1	26	-1.0	-38.64	263.97	5.14	-33.50
CCC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CC=C1	REAL250004571532	0	33	-1.0	-46.27	297.97	3.79	-42.48
CCC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CC=C1	REAL250004571532	1	33	-1.0	-45.87	296.90	3.77	-42.10
CCC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C=C1	REAL250004571533	0	30	-1.0	-39.47	272.34	4.19	-35.28
CCC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C=C1	REAL250004571533	1	30	-1.0	-38.98	271.58	4.20	-34.78
CCC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(OC)C=C1	REAL250004571534	0	34	-1.0	-40.80	295.42	3.41	-37.39
CCC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(OC)C=C1	REAL250004571534	1	34	-1.0	-40.34	294.66	3.42	-36.92
CCOC(=O)C1CCN(C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571535	0	36	-1.0	-43.48	312.61	4.26	-39.22
CCOC(=O)C1CCN(C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571535	1	36	-1.0	-43.08	312.20	4.26	-38.82
CC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1F	REAL250004571536	0	27	-1.0	-42.62	258.99	3.11	-39.51
CC1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1F	REAL250004571536	1	27	-1.0	-42.06	258.58	3.12	-38.94
CC(=O)NC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571537	0	23	-1.0	-42.84	239.90	1.08	-41.76
CC(=O)NC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571537	1	23	-1.0	-42.59	239.49	1.08	-41.51
CC(CNC(=O)C(C)SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571538	0	36	-1.0	-40.49	312.84	4.56	-35.93
CC(CNC(=O)C(C)SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571538	1	36	-1.0	-39.96	311.88	4.56	-35.40
CCOC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571539	0	31	-1.0	-38.17	280.26	3.93	-34.24
CCOC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571539	1	31	-1.0	-38.09	279.85	3.94	-34.15
CC(SC1=NN=N[N-]1)C1=NC(N)=NC(N(C)C)=N1	REAL250004571540	0	30	-1.0	-40.79	271.10	5.31	-35.48
CC(SC1=N[N-]N=N1)C1=NC(N)=NC(N(C)C)=N1	REAL250004571540	1	30	-1.0	-41.03	272.05	5.31	-35.72
CN(C)C1=NC(N)=NC(CSC2=NN=N[N-]2)=N1	REAL250004571541	0	27	-1.0	-40.61	254.76	4.64	-35.97
CN(C)C1=NC(N)=NC(CSC2=N[N-]N=N2)=N1	REAL250004571541	1	27	-1.0	-40.83	255.17	4.63	-36.20
O=C(CSC1=NN=N[N-]1)NC1=CC=C(O)C=C1	REAL250004571542	0	25	-1.0	-41.16	243.18	-0.46	-41.62
O=C(CSC1=N[N-]N=N1)NC1=CC=C(O)C=C1	REAL250004571542	1	25	-1.0	-41.63	243.60	-0.46	-42.09
NC1=NC(CSC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004571543	0	26	-1.0	-46.75	246.92	2.33	-44.42
NC1=NC(CSC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004571543	1	26	-1.0	-46.88	247.33	2.34	-44.54
ClC1=C(CSC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004571544	0	23	-1.0	-39.08	250.76	6.10	-32.98
ClC1=C(CSC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004571544	1	23	-1.0	-39.31	251.18	6.10	-33.21
CC(SC1=NN=N[N-]1)C(=O)NC1=NC=CC=N1	REAL250004571545	0	25	-1.0	-43.60	239.61	3.16	-40.44
CC(SC1=N[N-]N=N1)C(=O)NC1=NC=CC=N1	REAL250004571545	1	25	-1.0	-43.99	240.56	3.16	-40.83
ClC1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004571546	0	24	-1.0	-39.34	244.94	4.28	-35.06
ClC1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004571546	1	24	-1.0	-39.33	244.53	4.29	-35.04
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571547	0	29	-1.0	-47.45	278.30	3.91	-43.54
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571547	1	29	-1.0	-46.85	277.89	3.92	-42.93
C1=C(C2=CC=CC=C2)ON=C1CSC1=NN=N[N-]1	REAL250004571548	0	26	-1.0	-39.22	253.49	5.20	-34.02
C1=C(C2=CC=CC=C2)ON=C1CSC1=N[N-]N=N1	REAL250004571548	1	26	-1.0	-39.47	253.90	5.19	-34.28
CC1=CC2=C(C=C1C)C(CSC1=NN=N[N-]1)=CC(=O)O2	REAL250004571549	0	31	-1.0	-38.57	280.98	6.72	-31.85
CC1=CC2=C(C=C1C)C(CSC1=N[N-]N=N1)=CC(=O)O2	REAL250004571549	1	31	-1.0	-38.78	281.41	6.71	-32.07
CC(SC1=N[N-]N=N1)C(=O)NC(=O)NC1CC1	REAL250004571550	0	28	-1.0	-46.64	261.37	1.27	-45.37
CC(SC1=NN=N[N-]1)C(=O)NC(=O)NC1CC1	REAL250004571550	1	28	-1.0	-45.96	260.42	1.27	-44.69
O=C(CSC1=N[N-]N=N1)NC1=CC=CC=C1Cl	REAL250004571551	0	24	-1.0	-38.91	247.25	3.03	-35.88
O=C(CSC1=NN=N[N-]1)NC1=CC=CC=C1Cl	REAL250004571551	1	24	-1.0	-38.48	246.84	3.04	-35.44
COC1=CC=C(CNC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571552	0	31	-1.0	-40.50	287.87	1.82	-38.68
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CC(C1=CC=C(F)C=C1)N(C)C(=O)CSC1=N[N-]N=N1	REAL250004571562	0	33	-1.0	-40.61	292.71	5.15	-35.46
CC(C1=CC=C(F)C=C1)N(C)C(=O)CSC1=NN=N[N-]1	REAL250004571562	1	33	-1.0	-40.08	292.29	5.15	-34.93
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CC1=NN(C)C(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571564	0	27	-1.0	-41.41	254.57	1.65	-39.76
CC1=NN(C)C(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571564	1	27	-1.0	-40.88	254.16	1.66	-39.22
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CC1CCC2=CC=CC=C2N1C(=O)CSC1=N[N-]N=N1	REAL250004571567	0	34	-1.0	-41.78	279.20	5.43	-36.35
CC1CCC2=CC=CC=C2N1C(=O)CSC1=NN=N[N-]1	REAL250004571567	1	34	-1.0	-41.25	278.79	5.43	-35.82
CCCCC(SC1=N[N-]N=N1)C(=O)NC1=NOC(C)=C1	REAL250004571568	0	35	-1.0	-37.64	308.72	4.45	-33.19
CCCCC(SC1=NN=N[N-]1)C(=O)NC1=NOC(C)=C1	REAL250004571568	1	35	-1.0	-37.46	308.41	4.38	-33.08
CC(C)C(NC(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571569	0	36	-1.0	-39.19	306.84	4.42	-34.77
CC(C)C(NC(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571569	1	36	-1.0	-38.76	306.43	4.43	-34.33
CSC1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571570	0	28	-1.0	-40.07	272.53	3.42	-36.65
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CC1=CC=C(CNC(=O)CSC2=NN=N[N-]2)C=C1F	REAL250004571571	1	30	-1.0	-39.66	284.68	3.24	-36.42
COC(=O)C(SC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004571572	0	26	-1.0	-41.32	252.66	4.96	-36.36
COC(=O)C(SC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004571572	1	26	-1.0	-41.44	254.06	4.93	-36.51
COC(=O)C1=C(NC(=O)CSC2=N[N-]N=N2)C=CS1	REAL250004571573	0	27	-1.0	-40.68	271.66	2.24	-38.44
COC(=O)C1=C(NC(=O)CSC2=NN=N[N-]2)C=CS1	REAL250004571573	1	27	-1.0	-40.39	271.25	2.25	-38.14
CN(C(=O)CSC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004571574	0	29	-1.0	-40.75	282.65	4.83	-35.92
CN(C(=O)CSC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004571574	1	29	-1.0	-40.20	282.24	4.83	-35.37
C1=CC=C(CN2N=NN=C2CSC2=NN=N[N-]2)C=C1	REAL250004571575	0	28	-1.0	-37.07	262.87	3.71	-33.36
C1=CC=C(CN2N=NN=C2CSC2=N[N-]N=N2)C=C1	REAL250004571575	1	28	-1.0	-37.44	263.29	3.69	-33.75
CC(C)C1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571576	0	33	-1.0	-39.93	292.77	4.31	-35.62
CC(C)C1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571576	1	33	-1.0	-39.47	292.36	4.31	-35.16
NC(=O)C(SC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004571577	0	24	-1.0	-44.04	231.95	1.00	-43.04
NC(=O)C(SC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004571577	1	24	-1.0	-44.18	233.20	0.96	-43.22
FC1=CC=C(C2=CN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571578	0	26	-1.0	-38.39	260.12	2.68	-35.71
FC1=CC=C(C2=CN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571578	1	26	-1.0	-38.62	260.53	2.67	-35.95
ClC1=CC2=CC=CN=C2C(CSC2=NN=N[N-]2)=C1	REAL250004571579	0	25	-1.0	-43.96	255.11	5.20	-38.76
ClC1=CC2=CC=CN=C2C(CSC2=N[N-]N=N2)=C1	REAL250004571579	1	25	-1.0	-44.12	255.53	5.19	-38.93
C1=C(CSC2=NN=N[N-]2)ON=C1C1=CC=CC=C1	REAL250004571580	0	26	-1.0	-37.81	253.49	5.28	-32.53
C1=C(CSC2=N[N-]N=N2)ON=C1C1=CC=CC=C1	REAL250004571580	1	26	-1.0	-38.09	253.91	5.28	-32.81
CC(SC1=N[N-]N=N1)C(=O)NC(=O)NC1=CC=CC=C1	REAL250004571581	0	31	-1.0	-47.81	285.07	3.17	-44.64
CC(SC1=NN=N[N-]1)C(=O)NC(=O)NC1=CC=CC=C1	REAL250004571581	1	31	-1.0	-47.22	284.12	3.17	-44.05
ClC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=C2)C=C1	REAL250004571582	0	26	-1.0	-36.15	270.22	5.80	-30.35
ClC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=C2)C=C1	REAL250004571582	1	26	-1.0	-36.45	270.63	5.80	-30.65
CN1C(=O)C=C(CSC2=NN=N[N-]2)N(C)C1=O	REAL250004571583	0	26	-1.0	-36.08	242.17	2.06	-34.02
CN1C(=O)C=C(CSC2=N[N-]N=N2)N(C)C1=O	REAL250004571583	1	26	-1.0	-36.49	242.59	2.04	-34.45
FC(F)OC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571584	0	24	-1.0	-40.76	236.44	3.79	-36.97
FC(F)OC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571584	1	24	-1.0	-40.99	236.86	3.78	-37.21
CC(SC1=NN=N[N-]1)C1=NC(C2=CC=CS2)=NO1	REAL250004571585	0	25	-1.0	-36.18	256.76	2.48	-33.70
CC(SC1=N[N-]N=N1)C1=NC(C2=CC=CS2)=NO1	REAL250004571585	1	25	-1.0	-36.43	257.71	2.48	-33.95
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CC1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004571587	1	29	-1.0	-42.03	275.31	3.28	-38.75
ClC1=CC=CC(C2=NC(CSC3=NN=N[N-]3)=CO2)=C1	REAL250004571588	0	26	-1.0	-39.86	271.92	3.05	-36.81
ClC1=CC=CC(C2=NC(CSC3=N[N-]N=N3)=CO2)=C1	REAL250004571588	1	26	-1.0	-40.15	272.33	3.05	-37.10
COC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CO2)C=C1	REAL250004571589	0	30	-1.0	-41.42	284.63	1.85	-39.57
COC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CO2)C=C1	REAL250004571589	1	30	-1.0	-41.66	285.04	1.85	-39.81
N#CC1=CC=CC=C1C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571590	0	31	-1.0	-43.24	296.55	7.88	-35.36
N#CC1=CC=CC=C1C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571590	1	31	-1.0	-43.42	296.96	7.87	-35.55
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571591	0	26	-1.0	-38.34	253.34	4.81	-33.53
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571591	1	26	-1.0	-38.68	253.75	4.81	-33.87
C1=COC(C2=NC(CSC3=NN=N[N-]3)=CS2)=C1	REAL250004571592	0	23	-1.0	-43.87	245.92	2.95	-40.92
C1=COC(C2=NC(CSC3=N[N-]N=N3)=CS2)=C1	REAL250004571592	1	23	-1.0	-44.08	246.33	2.95	-41.13
CC1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004571593	0	26	-1.0	-42.00	265.88	2.23	-39.77
CC1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004571593	1	26	-1.0	-42.22	266.29	2.21	-40.01
C1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)N=C1	REAL250004571594	0	24	-1.0	-40.47	244.77	0.90	-39.57
C1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)N=C1	REAL250004571594	1	24	-1.0	-40.74	245.18	0.90	-39.84
O=C(CSC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1	REAL250004571595	0	28	-1.0	-39.33	265.30	3.97	-35.36
O=C(CSC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1	REAL250004571595	1	28	-1.0	-38.90	264.89	3.97	-34.93
C1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=N2)S1	REAL250004571596	0	25	-1.0	-46.79	258.82	3.04	-43.75
C1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=N2)S1	REAL250004571596	1	25	-1.0	-47.02	259.23	3.04	-43.98
CC1=NOC(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571597	0	26	-1.0	-43.87	248.57	1.71	-42.16
CC1=NOC(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571597	1	26	-1.0	-43.28	247.62	1.71	-41.57
CC(C)CNC(=O)NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571598	0	33	-1.0	-46.04	291.77	1.93	-44.11
CC(C)CNC(=O)NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571598	1	33	-1.0	-45.46	290.81	1.93	-43.53
FC(F)N1C2=CC=CC=C2N=C1CSC1=NN=N[N-]1	REAL250004571599	0	26	-1.0	-42.20	251.98	4.38	-37.82
FC(F)N1C2=CC=CC=C2N=C1CSC1=N[N-]N=N1	REAL250004571599	1	26	-1.0	-42.51	252.40	4.37	-38.14
CC(SC1=N[N-]N=N1)C(=O)NC(=O)NCC(F)(F)F	REAL250004571600	0	27	-1.0	-44.41	270.71	0.88	-43.53
CC(SC1=NN=N[N-]1)C(=O)NC(=O)NCC(F)(F)F	REAL250004571600	1	27	-1.0	-43.80	269.76	0.88	-42.92
COC1=CC=CC(CNC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571601	0	34	-1.0	-41.29	305.25	2.51	-38.78
COC1=CC=CC(CNC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571601	1	34	-1.0	-40.85	304.30	2.50	-38.35
CC1=CC=CC=C1C(C)NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571602	0	36	-1.0	-39.61	308.97	4.60	-35.01
CC1=CC=CC=C1C(C)NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571602	1	36	-1.0	-39.14	308.02	4.60	-34.54
CC1=CC=CC=C1CCNC(=O)C(C)SC1=N[N-]N=N1	REAL250004571603	0	36	-1.0	-40.94	312.58	4.44	-36.50
CC1=CC=CC=C1CCNC(=O)C(C)SC1=NN=N[N-]1	REAL250004571603	1	36	-1.0	-40.41	311.63	4.43	-35.98
CC1=CC=CC=C1CNC(=O)C(C)SC1=N[N-]N=N1	REAL250004571604	0	33	-1.0	-39.22	292.88	4.00	-35.22
CC1=CC=CC=C1CNC(=O)C(C)SC1=NN=N[N-]1	REAL250004571604	1	33	-1.0	-38.82	291.92	4.00	-34.82
CC(SC1=N[N-]N=N1)C(=O)N1CCC(C(N)=O)CC1	REAL250004571605	0	34	-1.0	-46.43	286.82	-0.07	-46.50
CC(SC1=NN=N[N-]1)C(=O)N1CCC(C(N)=O)CC1	REAL250004571605	1	34	-1.0	-45.90	285.86	-0.07	-45.97
COC(=O)C1CCN(C(=O)C(C)SC2=N[N-]N=N2)CC1	REAL250004571606	0	36	-1.0	-43.12	305.74	3.89	-39.23
COC(=O)C1CCN(C(=O)C(C)SC2=NN=N[N-]2)CC1	REAL250004571606	1	36	-1.0	-42.61	304.80	3.89	-38.72
CCOCCCNC(=O)C(C)SC1=N[N-]N=N1	REAL250004571607	0	33	-1.0	-40.25	292.72	0.99	-39.26
CCOCCCNC(=O)C(C)SC1=NN=N[N-]1	REAL250004571607	1	33	-1.0	-39.78	291.77	0.98	-38.80
C=CCN(CC=C)C(=O)C(C)SC1=N[N-]N=N1	REAL250004571608	0	31	-1.0	-40.50	274.29	4.13	-36.37
C=CCN(CC=C)C(=O)C(C)SC1=NN=N[N-]1	REAL250004571608	1	31	-1.0	-40.05	273.37	4.14	-35.91
CC(=O)N1CCN(C(=O)C(C)SC2=N[N-]N=N2)CC1	REAL250004571609	0	34	-1.0	-43.81	285.12	2.09	-41.72
CC(=O)N1CCN(C(=O)C(C)SC2=NN=N[N-]2)CC1	REAL250004571609	1	34	-1.0	-43.20	284.18	2.10	-41.10
C1=CC(C2=NC(CSC3=NN=N[N-]3)=NO2)=CS1	REAL250004571610	0	22	-1.0	-39.16	240.05	1.54	-37.62
C1=CC(C2=NC(CSC3=N[N-]N=N3)=NO2)=CS1	REAL250004571610	1	22	-1.0	-39.30	240.46	1.53	-37.77
CSC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C=C1	REAL250004571611	0	31	-1.0	-41.49	289.73	4.12	-37.37
CSC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C=C1	REAL250004571611	1	31	-1.0	-40.92	288.78	4.12	-36.80
CC(SC1=N[N-]N=N1)C(=O)NC1CCC(C)CC1	REAL250004571612	0	36	-1.0	-39.38	294.35	3.91	-35.47
CC(SC1=NN=N[N-]1)C(=O)NC1CCC(C)CC1	REAL250004571612	1	36	-1.0	-38.95	293.40	3.91	-35.04
CC(SC1=N[N-]N=N1)C(=O)NCC1=CC=CC=C1F	REAL250004571613	0	30	-1.0	-40.83	281.43	3.23	-37.60
CC(SC1=NN=N[N-]1)C(=O)NCC1=CC=CC=C1F	REAL250004571613	1	30	-1.0	-40.35	280.48	3.23	-37.12
CC(SC1=N[N-]N=N1)C(=O)N1CCCC(C(N)=O)C1	REAL250004571614	0	34	-1.0	-46.70	285.87	-0.14	-46.84
CC(SC1=NN=N[N-]1)C(=O)N1CCCC(C(N)=O)C1	REAL250004571614	1	34	-1.0	-46.11	284.92	-0.13	-46.24
C=C(C)CN(CC)C(=O)C(C)SC1=N[N-]N=N1	REAL250004571615	0	33	-1.0	-40.01	282.70	4.36	-35.65
C=C(C)CN(CC)C(=O)C(C)SC1=NN=N[N-]1	REAL250004571615	1	33	-1.0	-39.55	281.75	4.36	-35.19
CC(C)C(SC1=N[N-]N=N1)C(=O)NC1CCCCC1	REAL250004571616	0	39	-1.0	-47.36	315.95	4.53	-42.83
CC(C)C(SC1=NN=N[N-]1)C(=O)NC1CCCCC1	REAL250004571616	1	39	-1.0	-46.87	315.13	4.52	-42.35
CC(C)C(SC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1F	REAL250004571617	0	33	-1.0	-39.76	287.41	4.63	-35.13
CC(C)C(SC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1F	REAL250004571617	1	33	-1.0	-39.42	286.58	4.65	-34.77
CC1=CC=CC=C1CN(C)C(=O)C(C)SC1=N[N-]N=N1	REAL250004571618	0	36	-1.0	-42.49	305.77	6.32	-36.17
CC1=CC=CC=C1CN(C)C(=O)C(C)SC1=NN=N[N-]1	REAL250004571618	1	36	-1.0	-42.02	304.82	6.31	-35.71
CC(C)C(SC1=N[N-]N=N1)C(=O)NCC1=CC=CO1	REAL250004571619	0	33	-1.0	-40.04	288.90	2.96	-37.08
CC(C)C(SC1=NN=N[N-]1)C(=O)NCC1=CC=CO1	REAL250004571619	1	33	-1.0	-39.55	287.95	2.95	-36.60
CC(C)C(SC1=N[N-]N=N1)C(=O)NC1CCCC1	REAL250004571620	0	36	-1.0	-40.24	292.84	3.94	-36.30
CC(C)C(SC1=NN=N[N-]1)C(=O)NC1CCCC1	REAL250004571620	1	36	-1.0	-39.81	292.35	3.91	-35.90
CC(C)C(SC1=N[N-]N=N1)C(=O)NC1CCCCCC1	REAL250004571621	0	42	-1.0	-40.55	322.98	4.93	-35.62
CC(C)C(SC1=NN=N[N-]1)C(=O)NC1CCCCCC1	REAL250004571621	1	42	-1.0	-40.22	322.49	4.89	-35.33
CCC(C)(C)NC(=O)C(SC1=N[N-]N=N1)C(C)C	REAL250004571622	0	38	-1.0	-45.65	301.74	3.64	-42.01
CCC(C)(C)NC(=O)C(SC1=NN=N[N-]1)C(C)C	REAL250004571622	1	38	-1.0	-45.09	300.93	3.63	-41.46
CC(C)C(SC1=N[N-]N=N1)C(=O)NC1CCCCC1C	REAL250004571623	0	42	-1.0	-47.15	331.05	5.16	-41.99
CC(C)C(SC1=NN=N[N-]1)C(=O)NC1CCCCC1C	REAL250004571623	1	42	-1.0	-46.64	330.02	5.16	-41.48
CCC(C)NC(=O)C(SC1=N[N-]N=N1)C(C)C	REAL250004571624	0	35	-1.0	-47.00	295.28	2.99	-44.01
CCC(C)NC(=O)C(SC1=NN=N[N-]1)C(C)C	REAL250004571624	1	35	-1.0	-46.49	294.14	2.98	-43.51
CC(C)C(SC1=N[N-]N=N1)C(=O)NCC1CCCO1	REAL250004571625	0	37	-1.0	-41.49	307.04	1.96	-39.53
CC(C)C(SC1=NN=N[N-]1)C(=O)NCC1CCCO1	REAL250004571625	1	37	-1.0	-41.09	305.97	1.98	-39.11
CC(C)C(SC1=N[N-]N=N1)C(=O)NC(C)(C)C	REAL250004571626	0	35	-1.0	-40.06	282.08	3.10	-36.96
CC(C)C(SC1=NN=N[N-]1)C(=O)NC(C)(C)C	REAL250004571626	1	35	-1.0	-39.54	281.12	3.09	-36.45
CC(C)C(SC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004571627	0	33	-1.0	-40.20	267.49	3.63	-36.57
CC(C)C(SC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004571627	1	33	-1.0	-39.83	266.62	3.66	-36.17
CC(C)C(SC1=N[N-]N=N1)C(=O)N1CCOCC1	REAL250004571628	0	34	-1.0	-46.55	274.20	2.06	-44.49
CC(C)C(SC1=NN=N[N-]1)C(=O)N1CCOCC1	REAL250004571628	1	34	-1.0	-46.08	273.37	2.07	-44.01
CC(C)C(SC1=NN=N[N-]1)C(=O)N(C)C1=CC=CC=C1	REAL250004571629	0	36	-1.0	-39.98	287.75	5.46	-34.52
CC(C)C(SC1=N[N-]N=N1)C(=O)N(C)C1=CC=CC=C1	REAL250004571629	1	36	-1.0	-40.46	288.79	5.45	-35.01
CC(C)C(SC1=N[N-]N=N1)C(=O)N(C)C1CCCCC1	REAL250004571630	0	42	-1.0	-40.16	317.77	5.76	-34.40
CC(C)C(SC1=NN=N[N-]1)C(=O)N(C)C1CCCCC1	REAL250004571630	1	42	-1.0	-39.64	316.86	5.78	-33.86
CC(C)C(SC1=N[N-]N=N1)C(=O)N1CCCC(C)C1	REAL250004571631	0	39	-1.0	-47.62	309.53	4.83	-42.79
CC(C)C(SC1=NN=N[N-]1)C(=O)N1CCCC(C)C1	REAL250004571631	1	39	-1.0	-47.19	308.40	4.81	-42.38
CC(C)C(SC1=N[N-]N=N1)C(=O)N1CC(C)CC(C)C1	REAL250004571632	0	42	-1.0	-39.37	317.14	5.44	-33.93
CC(C)C(SC1=NN=N[N-]1)C(=O)N1CC(C)CC(C)C1	REAL250004571632	1	42	-1.0	-38.95	316.28	5.44	-33.51
CC(C)C(SC1=N[N-]N=N1)C(=O)N1CCCCC1C	REAL250004571633	0	39	-1.0	-47.99	299.50	5.21	-42.78
CC(C)C(SC1=NN=N[N-]1)C(=O)N1CCCCC1C	REAL250004571633	1	39	-1.0	-47.51	298.57	5.20	-42.31
C=CCNC(=O)NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571634	0	28	-1.0	-46.11	264.20	0.96	-45.15
C=CCNC(=O)NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571634	1	28	-1.0	-45.51	263.25	0.95	-44.56
CC1=C(C)SC(NC(=O)C(C)SC2=N[N-]N=N2)=N1	REAL250004571635	0	29	-1.0	-38.81	274.66	2.55	-36.26
CC1=C(C)SC(NC(=O)C(C)SC2=NN=N[N-]2)=N1	REAL250004571635	1	29	-1.0	-38.35	273.70	2.55	-35.80
CC1=CC(C)=CC(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571636	0	33	-1.0	-40.07	291.66	4.43	-35.64
CC1=CC(C)=CC(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571636	1	33	-1.0	-40.57	292.61	4.43	-36.14
CC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C(F)=C1	REAL250004571637	0	30	-1.0	-39.00	276.04	3.89	-35.11
CC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C(F)=C1	REAL250004571637	1	30	-1.0	-38.56	275.08	3.89	-34.67
CCC1=CC=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571638	0	33	-1.0	-39.50	287.43	4.77	-34.73
CCC1=CC=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571638	1	33	-1.0	-39.95	288.39	4.77	-35.18
O=C(CSC1=N[N-]N=N1)NC(C1CC1)C1CC1	REAL250004571639	0	31	-1.0	-39.26	275.44	3.30	-35.96
O=C(CSC1=NN=N[N-]1)NC(C1CC1)C1CC1	REAL250004571639	1	31	-1.0	-38.79	275.03	3.31	-35.48
O=C(CSC1=N[N-]N=N1)NCC(=O)N1CCCC1	REAL250004571640	0	31	-1.0	-42.39	281.51	0.38	-42.01
O=C(CSC1=NN=N[N-]1)NCC(=O)N1CCCC1	REAL250004571640	1	31	-1.0	-42.03	281.10	0.39	-41.64
CC1=CC(Cl)=CC=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571641	0	30	-1.0	-38.92	285.04	4.49	-34.43
CC1=CC(Cl)=CC=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571641	1	30	-1.0	-38.35	284.09	4.49	-33.86
CC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C(Cl)=C1	REAL250004571642	0	30	-1.0	-38.49	285.02	4.38	-34.11
CC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C(Cl)=C1	REAL250004571642	1	30	-1.0	-38.04	284.07	4.38	-33.66
CC(SC1=N[N-]N=N1)C(=O)N1CCC2=C(C=CS2)C1	REAL250004571643	0	31	-1.0	-39.88	279.86	4.49	-35.39
CC(SC1=NN=N[N-]1)C(=O)N1CCC2=C(C=CS2)C1	REAL250004571643	1	31	-1.0	-39.35	278.91	4.50	-34.85
O=C(CSC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CC1	REAL250004571644	0	34	-1.0	-39.30	300.81	4.79	-34.51
O=C(CSC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CC1	REAL250004571644	1	34	-1.0	-38.91	300.40	4.80	-34.11
O=C(CSC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CC1	REAL250004571645	0	34	-1.0	-40.23	301.75	4.33	-35.90
O=C(CSC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CC1	REAL250004571645	1	34	-1.0	-39.78	301.34	4.35	-35.43
CC1=CC=C(F)C=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004571646	0	30	-1.0	-41.89	273.74	4.01	-37.88
CC1=CC=C(F)C=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004571646	1	30	-1.0	-41.38	272.79	4.01	-37.37
CC1=CC=CC(NC(=O)C(C)SC2=NN=N[N-]2)=C1C	REAL250004571647	0	33	-1.0	-40.03	284.36	4.53	-35.50
CC1=CC=CC(NC(=O)C(C)SC2=N[N-]N=N2)=C1C	REAL250004571647	1	33	-1.0	-40.49	285.31	4.53	-35.96
CC1=CC=C(NC(=O)C(C)SC2=NN=N[N-]2)C=C1C	REAL250004571648	0	33	-1.0	-40.05	287.37	4.30	-35.75
CC1=CC=C(NC(=O)C(C)SC2=N[N-]N=N2)C=C1C	REAL250004571648	1	33	-1.0	-40.53	288.32	4.30	-36.23
CSC1=CC=CC(NC(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571649	0	31	-1.0	-40.10	289.86	4.13	-35.97
CSC1=CC=CC(NC(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571649	1	31	-1.0	-39.64	288.91	4.13	-35.51
C1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=C2)S1	REAL250004571650	0	26	-1.0	-41.22	263.41	4.91	-36.31
C1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=C2)S1	REAL250004571650	1	26	-1.0	-41.45	263.82	4.91	-36.54
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(N(C)C)C=C1	REAL250004571651	0	35	-1.0	-41.91	302.22	3.52	-38.39
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(N(C)C)C=C1	REAL250004571651	1	35	-1.0	-41.49	301.26	3.52	-37.97
CC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CS2)C=C1	REAL250004571652	0	29	-1.0	-41.05	284.80	5.58	-35.47
CC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CS2)C=C1	REAL250004571652	1	29	-1.0	-41.26	285.22	5.58	-35.68
FC(F)(F)OC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571653	0	24	-1.0	-36.07	244.94	3.94	-32.13
FC(F)(F)OC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571653	1	24	-1.0	-35.76	244.53	3.94	-31.82
C1=COC(C2=NOC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004571654	0	22	-1.0	-37.97	230.91	0.80	-37.17
C1=COC(C2=NOC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004571654	1	22	-1.0	-38.28	231.32	0.79	-37.49
ClC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=NO2)C=C1	REAL250004571655	0	25	-1.0	-37.59	266.31	3.18	-34.41
ClC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=NO2)C=C1	REAL250004571655	1	25	-1.0	-37.82	266.72	3.17	-34.65
C1=COC(C2=NC(CSC3=NN=N[N-]3)=NO2)=C1	REAL250004571656	0	22	-1.0	-41.45	230.88	0.64	-40.81
C1=COC(C2=NC(CSC3=N[N-]N=N3)=NO2)=C1	REAL250004571656	1	22	-1.0	-41.63	231.29	0.63	-41.00
CC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CO2)C=C1	REAL250004571657	0	29	-1.0	-41.51	276.59	3.22	-38.29
CC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CO2)C=C1	REAL250004571657	1	29	-1.0	-41.79	277.00	3.22	-38.57
CC1=NC(CSC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004571658	0	27	-1.0	-46.79	253.24	3.97	-42.82
CC1=NC(CSC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004571658	1	27	-1.0	-46.93	253.65	3.97	-42.96
O=C(CCSC1=N[N-]N=N1)NC1=CC=CC=C1F	REAL250004571659	0	27	-1.0	-43.88	259.06	3.32	-40.56
O=C(CCSC1=NN=N[N-]1)NC1=CC=CC=C1F	REAL250004571659	1	27	-1.0	-43.87	258.65	3.33	-40.54
CC1=C(Cl)C(CSC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004571660	0	28	-1.0	-43.79	269.21	5.32	-38.47
CC1=C(Cl)C(CSC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004571660	1	28	-1.0	-43.92	269.62	5.32	-38.60
CC(SC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1C(F)F	REAL250004571661	0	29	-1.0	-42.63	268.27	5.02	-37.61
CC(SC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1C(F)F	REAL250004571661	1	29	-1.0	-43.11	269.23	5.01	-38.10
CC1(C)NC(=O)N(CCSC2=N[N-]N=N2)C1=O	REAL250004571662	0	28	-1.0	-43.90	262.37	0.45	-43.45
CC1(C)NC(=O)N(CCSC2=NN=N[N-]2)C1=O	REAL250004571662	1	28	-1.0	-43.80	261.96	0.45	-43.35
COC(=O)C1=C(C)C=C(CSC2=N[N-]N=N2)O1	REAL250004571663	0	26	-1.0	-37.93	254.45	3.64	-34.29
COC(=O)C1=C(C)C=C(CSC2=NN=N[N-]2)O1	REAL250004571663	1	26	-1.0	-37.61	254.04	3.64	-33.97
CC1=CC(C)=NN1C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571664	0	33	-1.0	-41.17	297.65	6.34	-34.83
CC1=CC(C)=NN1C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571664	1	33	-1.0	-41.49	298.06	6.34	-35.15
O=C1C=C(CSC2=NN=N[N-]2)NC2=NC=NN21	REAL250004571665	0	22	-1.0	-40.76	225.03	3.95	-36.81
O=C1C=C(CSC2=N[N-]N=N2)NC2=NC=NN21	REAL250004571665	1	22	-1.0	-41.25	225.44	3.94	-37.31
FC1=CC=CC(C2=NC(CSC3=NN=N[N-]3)=CO2)=C1	REAL250004571666	0	26	-1.0	-40.13	261.60	2.61	-37.52
FC1=CC=CC(C2=NC(CSC3=N[N-]N=N3)=CO2)=C1	REAL250004571666	1	26	-1.0	-40.41	262.01	2.61	-37.80
CC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=C2)C=C1	REAL250004571667	0	29	-1.0	-37.60	274.89	5.96	-31.64
CC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=C2)C=C1	REAL250004571667	1	29	-1.0	-37.91	275.30	5.96	-31.95
CCOC(=O)C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571668	0	25	-1.0	-44.25	262.32	2.75	-41.50
CCOC(=O)C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571668	1	25	-1.0	-44.04	261.91	2.75	-41.29
BrC1=CN=CC(CSC2=NN=N[N-]2)=C1	REAL250004571669	0	19	-1.0	-35.30	214.70	2.97	-32.33
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CC1CCC(N(C(=O)CSC2=NN=N[N-]2)C2CC2)CC1	REAL250004571672	1	40	-1.0	-39.57	305.49	5.88	-33.69
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CC1(C)NC(=O)N(CCCSC2=N[N-]N=N2)C1=O	REAL250004571677	0	31	-1.0	-43.47	283.87	1.23	-42.24
CC1(C)NC(=O)N(CCCSC2=NN=N[N-]2)C1=O	REAL250004571677	1	31	-1.0	-43.24	283.46	1.24	-42.00
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CC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CS2)O1	REAL250004571679	0	26	-1.0	-44.36	267.83	3.77	-40.59
CC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CS2)O1	REAL250004571679	1	26	-1.0	-44.60	268.25	3.77	-40.83
CCCCC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571680	0	28	-1.0	-39.75	270.01	4.14	-35.61
CCCCC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571680	1	28	-1.0	-39.55	269.59	4.14	-35.41
CC(SC1=NN=N[N-]1)C1=NN=NN1C1=CC=CC=C1	REAL250004571681	0	28	-1.0	-36.98	257.77	3.80	-33.18
CC(SC1=N[N-]N=N1)C1=NN=NN1C1=CC=CC=C1	REAL250004571681	1	28	-1.0	-37.45	258.72	3.80	-33.65
ClC1=CC=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004571682	0	20	-1.0	-40.68	226.63	5.01	-35.67
ClC1=CC=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004571682	1	20	-1.0	-40.91	227.04	5.00	-35.91
CC(SC1=NN=N[N-]1)C1=NC=C(C2=CC=CC=C2)O1	REAL250004571683	0	29	-1.0	-39.33	269.97	3.38	-35.95
CC(SC1=N[N-]N=N1)C1=NC=C(C2=CC=CC=C2)O1	REAL250004571683	1	29	-1.0	-39.60	270.92	3.39	-36.21
COC1=C(C)C=NC(CSC2=N[N-]N=N2)=C1C	REAL250004571684	0	29	-1.0	-40.21	263.56	3.02	-37.19
COC1=C(C)C=NC(CSC2=NN=N[N-]2)=C1C	REAL250004571684	1	29	-1.0	-40.06	263.15	3.03	-37.03
COC1=CC=C(C=O)C=C1CSC1=NN=N[N-]1	REAL250004571685	0	26	-1.0	-41.62	249.76	3.27	-38.35
COC1=CC=C(C=O)C=C1CSC1=N[N-]N=N1	REAL250004571685	1	26	-1.0	-41.87	250.17	3.26	-38.61
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C1=NN(C2=CC=CC=C2)N=C1CSC1=N[N-]N=N1	REAL250004571686	1	26	-1.0	-41.15	253.37	3.89	-37.26
ClC1=C(CSC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004571687	0	25	-1.0	-47.84	252.29	5.11	-42.73
ClC1=C(CSC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004571687	1	25	-1.0	-48.02	252.70	5.10	-42.92
C1=CC=C(CC2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571688	0	28	-1.0	-35.85	271.91	3.34	-32.51
C1=CC=C(CC2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571688	1	28	-1.0	-35.58	271.49	3.35	-32.23
C1=C(CSC2=N[N-]N=N2)N=C(CC2=CC=CC=C2)S1	REAL250004571689	0	29	-1.0	-41.42	286.91	5.60	-35.82
C1=C(CSC2=NN=N[N-]2)N=C(CC2=CC=CC=C2)S1	REAL250004571689	1	29	-1.0	-41.16	286.50	5.60	-35.56
ClC1=CC=C(CSC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004571690	0	25	-1.0	-42.38	252.88	5.11	-37.27
ClC1=CC=C(CSC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004571690	1	25	-1.0	-42.60	253.29	5.10	-37.50
N#CC1=C2NC(CSC3=NN=N[N-]3)=CC(=O)N2N=C1	REAL250004571691	0	24	-1.0	-40.75	251.71	2.28	-38.47
N#CC1=C2NC(CSC3=N[N-]N=N3)=CC(=O)N2N=C1	REAL250004571691	1	24	-1.0	-41.20	252.12	2.26	-38.94
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CN(C)S(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)O1	REAL250004571693	0	28	-1.0	-42.73	277.72	0.29	-42.44
CN(C)S(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)O1	REAL250004571693	1	28	-1.0	-42.34	277.31	0.29	-42.05
CC1=CC(NC(=O)CCSC2=N[N-]N=N2)=NO1	REAL250004571694	0	26	-1.0	-44.31	250.28	2.39	-41.92
CC1=CC(NC(=O)CCSC2=NN=N[N-]2)=NO1	REAL250004571694	1	26	-1.0	-44.26	249.87	2.40	-41.86
CC1=CC=C(SCCSC2=N[N-]N=N2)C=C1C	REAL250004571695	0	30	-1.0	-37.93	277.63	6.57	-31.36
CC1=CC=C(SCCSC2=NN=N[N-]2)C=C1C	REAL250004571695	1	30	-1.0	-37.78	277.22	6.58	-31.20
O=[N+]([O-])C1=CC=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571696	0	26	-1.0	-41.40	257.12	4.40	-37.00
O=[N+]([O-])C1=CC=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571696	1	26	-1.0	-41.34	256.71	4.40	-36.94
C1=C(CSC2=N[N-]N=N2)N=C(C2CCCCC2)S1	REAL250004571697	0	32	-1.0	-39.68	288.36	5.06	-34.62
C1=C(CSC2=NN=N[N-]2)N=C(C2CCCCC2)S1	REAL250004571697	1	32	-1.0	-39.42	287.95	5.06	-34.36
CCCCCCCCCCCCSC1=N[N-]N=N1	REAL250004571698	0	43	-1.0	-36.42	354.01	8.93	-27.49
CCCCCCCCCCCCSC1=NN=N[N-]1	REAL250004571698	1	43	-1.0	-36.08	353.60	8.94	-27.14
O=[N+]([O-])C1=CC=C(CCSC2=N[N-]N=N2)C=C1	REAL250004571699	0	25	-1.0	-39.60	248.66	5.60	-34.00
O=[N+]([O-])C1=CC=C(CCSC2=NN=N[N-]2)C=C1	REAL250004571699	1	25	-1.0	-39.29	248.25	5.61	-33.68
CC(C)C(SC1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL250004571700	0	31	-1.0	-39.58	259.66	5.44	-34.14
CC(C)C(SC1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL250004571700	1	31	-1.0	-40.08	260.63	5.44	-34.64
COC1=CC=C(CSC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004571701	0	26	-1.0	-42.22	254.06	4.88	-37.34
COC1=CC=C(CSC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004571701	1	26	-1.0	-42.62	254.47	4.88	-37.74
CC1=C(CSC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004571702	0	25	-1.0	-38.87	238.19	5.20	-33.67
CC1=C(CSC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004571702	1	25	-1.0	-39.21	238.60	5.19	-34.02
O=[N+]([O-])C1=CC=C(F)C=C1CSC1=NN=N[N-]1	REAL250004571703	0	22	-1.0	-43.49	225.85	4.65	-38.84
O=[N+]([O-])C1=CC=C(F)C=C1CSC1=N[N-]N=N1	REAL250004571703	1	22	-1.0	-43.72	226.27	4.65	-39.07
CN1C2=CC=C(Cl)C=C2N=C1CSC1=NN=N[N-]1	REAL250004571704	0	26	-1.0	-39.59	262.59	4.98	-34.61
CN1C2=CC=C(Cl)C=C2N=C1CSC1=N[N-]N=N1	REAL250004571704	1	26	-1.0	-39.85	263.00	4.97	-34.88
CC(C)OC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571705	0	30	-1.0	-37.83	267.80	4.99	-32.84
CC(C)OC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571705	1	30	-1.0	-38.08	268.21	4.99	-33.09
C1=CC=C(CCOCCCSC2=N[N-]N=N2)C=C1	REAL250004571706	0	33	-1.0	-37.47	297.46	5.76	-31.71
C1=CC=C(CCOCCCSC2=NN=N[N-]2)C=C1	REAL250004571706	1	33	-1.0	-37.18	297.05	5.77	-31.41
FC(F)(F)COC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571707	0	27	-1.0	-39.23	269.87	4.83	-34.40
FC(F)(F)COC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571707	1	27	-1.0	-38.93	269.46	4.84	-34.09
C1=CC=C(N2N=NN=C2CCSC2=N[N-]N=N2)C=C1	REAL250004571708	0	28	-1.0	-41.68	266.55	4.10	-37.58
C1=CC=C(N2N=NN=C2CCSC2=NN=N[N-]2)C=C1	REAL250004571708	1	28	-1.0	-41.73	266.14	4.11	-37.62
O=C(CSC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)CC1	REAL250004571709	0	35	-1.0	-43.10	301.74	3.12	-39.98
O=C(CSC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)CC1	REAL250004571709	1	35	-1.0	-42.50	301.33	3.13	-39.37
CC(C)N(CC(F)(F)F)C(=O)CSC1=N[N-]N=N1	REAL250004571710	0	29	-1.0	-41.24	263.82	3.37	-37.87
CC(C)N(CC(F)(F)F)C(=O)CSC1=NN=N[N-]1	REAL250004571710	1	29	-1.0	-40.75	263.41	3.38	-37.37
O=C(CSC1=N[N-]N=N1)NCCCOC1CCCCC1	REAL250004571711	0	40	-1.0	-39.74	337.38	2.97	-36.77
O=C(CSC1=NN=N[N-]1)NCCCOC1CCCCC1	REAL250004571711	1	40	-1.0	-39.25	336.97	2.98	-36.27
CC1CCCCC1N(C)C(=O)CSC1=N[N-]N=N1	REAL250004571712	0	36	-1.0	-39.62	274.48	4.44	-35.18
CC1CCCCC1N(C)C(=O)CSC1=NN=N[N-]1	REAL250004571712	1	36	-1.0	-39.08	274.07	4.45	-34.63
CN(CC(F)(F)F)C(=O)CSC1=N[N-]N=N1	REAL250004571713	0	23	-1.0	-40.82	232.16	2.01	-38.81
CN(CC(F)(F)F)C(=O)CSC1=NN=N[N-]1	REAL250004571713	1	23	-1.0	-40.28	231.75	2.02	-38.26
COCC1=CC=CC=C1CNC(=O)CSC1=N[N-]N=N1	REAL250004571714	0	34	-1.0	-39.66	308.09	2.38	-37.28
COCC1=CC=CC=C1CNC(=O)CSC1=NN=N[N-]1	REAL250004571714	1	34	-1.0	-39.21	307.68	2.39	-36.82
O=C(CSC1=N[N-]N=N1)NCCOC1=CC=CC(F)=C1	REAL250004571715	0	31	-1.0	-43.20	294.68	2.20	-41.00
O=C(CSC1=NN=N[N-]1)NCCOC1=CC=CC(F)=C1	REAL250004571715	1	31	-1.0	-42.76	294.26	2.21	-40.55
COCC1=CC=C(CNC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004571716	0	34	-1.0	-40.57	313.43	2.25	-38.32
COCC1=CC=C(CNC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004571716	1	34	-1.0	-40.07	313.02	2.26	-37.81
CN(CC1CCCCC1)C(=O)CSC1=N[N-]N=N1	REAL250004571717	0	36	-1.0	-40.38	294.10	4.82	-35.56
CN(CC1CCCCC1)C(=O)CSC1=NN=N[N-]1	REAL250004571717	1	36	-1.0	-39.94	293.68	4.84	-35.10
COC(=O)C1(NC(=O)CSC2=N[N-]N=N2)CCCCC1	REAL250004571718	0	36	-1.0	-40.57	301.31	3.94	-36.63
COC(=O)C1(NC(=O)CSC2=NN=N[N-]2)CCCCC1	REAL250004571718	1	36	-1.0	-40.09	300.90	3.95	-36.14
CC(NC(=O)CSC1=N[N-]N=N1)C(=O)N1CCCCC1	REAL250004571719	0	37	-1.0	-41.84	313.09	1.74	-40.10
CC(NC(=O)CSC1=NN=N[N-]1)C(=O)N1CCCCC1	REAL250004571719	1	37	-1.0	-41.60	312.68	1.75	-39.85
O=C(CSC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004571720	0	33	-1.0	-40.48	281.82	1.59	-38.89
O=C(CSC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004571720	1	33	-1.0	-39.99	281.41	1.59	-38.40
CC(C)CN(C(=O)CSC1=N[N-]N=N1)C1CC1	REAL250004571721	0	33	-1.0	-39.58	275.69	4.26	-35.32
CC(C)CN(C(=O)CSC1=NN=N[N-]1)C1CC1	REAL250004571721	1	33	-1.0	-39.19	275.28	4.27	-34.92
CC(C1CC1)N(C(=O)CSC1=N[N-]N=N1)C1CC1	REAL250004571722	0	34	-1.0	-40.10	281.54	4.67	-35.43
CC(C1CC1)N(C(=O)CSC1=NN=N[N-]1)C1CC1	REAL250004571722	1	34	-1.0	-39.74	281.13	4.67	-35.07
O=C(CSC1=N[N-]N=N1)N(C1CC1)C1CCCC1	REAL250004571723	0	34	-1.0	-40.83	269.06	4.62	-36.21
O=C(CSC1=NN=N[N-]1)N(C1CC1)C1CCCC1	REAL250004571723	1	34	-1.0	-40.39	268.65	4.62	-35.77
CC(C)CC(C)N(C)C(=O)CSC1=N[N-]N=N1	REAL250004571724	0	35	-1.0	-40.15	290.25	4.58	-35.57
CC(C)CC(C)N(C)C(=O)CSC1=NN=N[N-]1	REAL250004571724	1	35	-1.0	-39.69	289.84	4.59	-35.10
CC1=C(CNC(=O)CSC2=N[N-]N=N2)SC=C1	REAL250004571725	0	27	-1.0	-38.99	267.74	2.16	-36.83
CC1=C(CNC(=O)CSC2=NN=N[N-]2)SC=C1	REAL250004571725	1	27	-1.0	-38.55	267.33	2.18	-36.37
O=C(CSC1=N[N-]N=N1)NCCOC1=CC=C(F)C=C1	REAL250004571726	0	31	-1.0	-41.87	294.67	2.19	-39.68
O=C(CSC1=NN=N[N-]1)NCCOC1=CC=C(F)C=C1	REAL250004571726	1	31	-1.0	-41.39	294.26	2.20	-39.19
O=C(CSC1=N[N-]N=N1)NCCC1CCCCC1	REAL250004571727	0	36	-1.0	-39.19	300.64	3.45	-35.74
O=C(CSC1=NN=N[N-]1)NCCC1CCCCC1	REAL250004571727	1	36	-1.0	-38.73	300.23	3.46	-35.27
CC(NC(=O)CSC1=N[N-]N=N1)C(=O)N(C)C	REAL250004571728	0	30	-1.0	-42.00	271.59	-0.31	-42.31
CC(NC(=O)CSC1=NN=N[N-]1)C(=O)N(C)C	REAL250004571728	1	30	-1.0	-41.66	271.18	-0.30	-41.96
O=C(CSC1=N[N-]N=N1)NCC1=CC(F)=CC(F)=C1	REAL250004571729	0	27	-1.0	-39.09	271.19	2.65	-36.44
O=C(CSC1=NN=N[N-]1)NCC1=CC(F)=CC(F)=C1	REAL250004571729	1	27	-1.0	-38.63	270.78	2.66	-35.97
O=C(CSC1=N[N-]N=N1)NCC1CC2=CC=CC=C2O1	REAL250004571730	0	32	-1.0	-42.22	293.97	2.44	-39.78
O=C(CSC1=NN=N[N-]1)NCC1CC2=CC=CC=C2O1	REAL250004571730	1	32	-1.0	-41.82	293.56	2.45	-39.37
CC(C)N(C(=O)CSC1=N[N-]N=N1)C1CCCC1	REAL250004571731	0	36	-1.0	-41.44	277.95	4.55	-36.89
CC(C)N(C(=O)CSC1=NN=N[N-]1)C1CCCC1	REAL250004571731	1	36	-1.0	-40.90	276.34	4.60	-36.30
CN1C=C(C2=NC(CSC3=NN=N[N-]3)=CS2)C=N1	REAL250004571732	0	26	-1.0	-44.79	268.06	2.70	-42.09
CN1C=C(C2=NC(CSC3=N[N-]N=N3)=CS2)C=N1	REAL250004571732	1	26	-1.0	-45.03	268.47	2.70	-42.33
O=[N+]([O-])C1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004571733	0	26	-1.0	-47.49	254.93	5.16	-42.33
O=[N+]([O-])C1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004571733	1	26	-1.0	-47.61	254.52	5.16	-42.45
COC1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004571734	0	28	-1.0	-41.63	258.16	3.63	-38.00
COC1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004571734	1	28	-1.0	-41.59	257.75	3.63	-37.96
CCOC(=O)C(CC1=CC=CC=C1)SC1=NN=N[N-]1	REAL250004571735	0	32	-1.0	-36.79	289.04	6.43	-30.36
CCOC(=O)C(CC1=CC=CC=C1)SC1=N[N-]N=N1	REAL250004571735	1	32	-1.0	-39.10	292.30	6.58	-32.52
CN1N=C(C(C)(C)C)C=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571736	0	36	-1.0	-40.80	314.29	3.55	-37.25
CN1N=C(C(C)(C)C)C=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571736	1	36	-1.0	-41.30	314.70	3.53	-37.77
CCCN1N=CC=C1NC(=O)CSC1=NN=N[N-]1	REAL250004571737	0	30	-1.0	-39.61	275.53	2.69	-36.92
CCCN1N=CC=C1NC(=O)CSC1=N[N-]N=N1	REAL250004571737	1	30	-1.0	-40.18	275.95	2.68	-37.50
CC1=NN(C(C)(C)C)C(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571738	0	36	-1.0	-40.73	308.37	3.87	-36.86
CC1=NN(C(C)(C)C)C(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571738	1	36	-1.0	-40.19	307.96	3.88	-36.31
CN(C(=O)CSC1=NN=N[N-]1)C1=NC=CS1	REAL250004571739	0	23	-1.0	-43.83	234.58	2.63	-41.20
CN(C(=O)CSC1=N[N-]N=N1)C1=NC=CS1	REAL250004571739	1	23	-1.0	-44.35	234.99	2.62	-41.73
O=C(CSC1=N[N-]N=N1)NC1=NC2=C(CCCC2)S1	REAL250004571740	0	30	-1.0	-44.41	282.56	3.55	-40.86
O=C(CSC1=NN=N[N-]1)NC1=NC2=C(CCCC2)S1	REAL250004571740	1	30	-1.0	-43.88	282.14	3.56	-40.32
CC1CCCCC1OCCNC(=O)CSC1=N[N-]N=N1	REAL250004571741	0	40	-1.0	-40.18	333.51	3.05	-37.13
CC1CCCCC1OCCNC(=O)CSC1=NN=N[N-]1	REAL250004571741	1	40	-1.0	-39.75	333.10	3.06	-36.69
O=C(CSC1=N[N-]N=N1)NC1CCC2(CC1)OCCO2	REAL250004571742	0	36	-1.0	-41.15	306.20	1.06	-40.09
O=C(CSC1=NN=N[N-]1)NC1CCC2(CC1)OCCO2	REAL250004571742	1	36	-1.0	-40.67	305.79	1.07	-39.60
CCN(CC(C)C#N)C(=O)CSC1=N[N-]N=N1	REAL250004571743	0	30	-1.0	-41.79	271.76	3.55	-38.24
CCN(CC(C)C#N)C(=O)CSC1=NN=N[N-]1	REAL250004571743	1	30	-1.0	-41.25	271.34	3.56	-37.69
O=C(CSC1=N[N-]N=N1)NCCC1=C(F)C=CC=C1F	REAL250004571744	0	30	-1.0	-42.19	290.50	3.34	-38.85
O=C(CSC1=NN=N[N-]1)NCCC1=C(F)C=CC=C1F	REAL250004571744	1	30	-1.0	-41.81	290.09	3.35	-38.46
O=C(CSC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004571745	0	34	-1.0	-41.74	296.16	4.33	-37.41
O=C(CSC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004571745	1	34	-1.0	-41.29	295.75	4.34	-36.95
CC1=CC=C(CN(C(=O)CSC2=N[N-]N=N2)C2CC2)O1	REAL250004571746	0	34	-1.0	-40.90	303.44	5.02	-35.88
CC1=CC=C(CN(C(=O)CSC2=NN=N[N-]2)C2CC2)O1	REAL250004571746	1	34	-1.0	-40.45	303.02	5.02	-35.43
O=C(CSC1=N[N-]N=N1)NCCCC1CCCCC1	REAL250004571747	0	39	-1.0	-39.13	322.14	4.24	-34.89
O=C(CSC1=NN=N[N-]1)NCCCC1CCCCC1	REAL250004571747	1	39	-1.0	-38.66	321.73	4.25	-34.41
COCC1=CC=CC(CNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571748	0	34	-1.0	-40.70	313.43	2.24	-38.46
COCC1=CC=CC(CNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571748	1	34	-1.0	-40.21	313.02	2.25	-37.96
CC1=CC=CC=C1CC(C)NC(=O)CSC1=N[N-]N=N1	REAL250004571749	0	36	-1.0	-41.68	315.43	4.63	-37.05
CC1=CC=CC=C1CC(C)NC(=O)CSC1=NN=N[N-]1	REAL250004571749	1	36	-1.0	-41.25	315.02	4.64	-36.61
CCOC1=CC=CC(CNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571750	0	34	-1.0	-40.88	309.72	2.74	-38.14
CCOC1=CC=CC(CNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571750	1	34	-1.0	-40.45	309.31	2.75	-37.70
CCC1=CC=C(CNC(=O)CSC2=N[N-]N=N2)S1	REAL250004571751	0	30	-1.0	-39.02	291.96	3.19	-35.83
CCC1=CC=C(CNC(=O)CSC2=NN=N[N-]2)S1	REAL250004571751	1	30	-1.0	-38.55	291.55	3.20	-35.35
CC(C)(C)NC(=O)CNC(=O)CSC1=N[N-]N=N1	REAL250004571752	0	33	-1.0	-41.81	291.25	-0.70	-42.51
CC(C)(C)NC(=O)CNC(=O)CSC1=NN=N[N-]1	REAL250004571752	1	33	-1.0	-41.47	290.84	-0.69	-42.16
CC(=O)NC1CCCN(C(=O)CSC2=N[N-]N=N2)C1	REAL250004571753	0	34	-1.0	-50.95	296.10	1.05	-49.90
CC(=O)NC1CCCN(C(=O)CSC2=NN=N[N-]2)C1	REAL250004571753	1	34	-1.0	-50.48	295.69	1.05	-49.43
CN1N=CC2=C1N=C(CSC1=NN=N[N-]1)NC2=O	REAL250004571754	0	25	-1.0	-38.65	246.25	1.36	-37.29
CN1N=CC2=C1N=C(CSC1=N[N-]N=N1)NC2=O	REAL250004571754	1	25	-1.0	-39.09	246.66	1.36	-37.73
O=S(=O)(NCCSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571755	0	28	-1.0	-42.10	275.18	0.49	-41.61
O=S(=O)(NCCSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571755	1	28	-1.0	-41.84	274.77	0.50	-41.34
O=C(CSC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1CC1	REAL250004571756	0	34	-1.0	-42.19	297.50	6.10	-36.09
O=C(CSC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1CC1	REAL250004571756	1	34	-1.0	-41.79	297.09	6.10	-35.69
FC1=CC=C(CSC2=N[N-]N=N2)C=C1Br	REAL250004571757	0	20	-1.0	-35.87	225.95	4.80	-31.07
FC1=CC=C(CSC2=NN=N[N-]2)C=C1Br	REAL250004571757	1	20	-1.0	-35.54	225.54	4.80	-30.74
CC(C)CCOCCNC(=O)CSC1=N[N-]N=N1	REAL250004571758	0	36	-1.0	-40.24	314.48	1.65	-38.59
CC(C)CCOCCNC(=O)CSC1=NN=N[N-]1	REAL250004571758	1	36	-1.0	-39.85	314.06	1.66	-38.19
CCCCOCCNC(=O)CSC1=N[N-]N=N1	REAL250004571759	0	33	-1.0	-40.32	296.91	1.14	-39.18
CCCCOCCNC(=O)CSC1=NN=N[N-]1	REAL250004571759	1	33	-1.0	-39.92	296.50	1.15	-38.77
COC(=O)C1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571760	0	26	-1.0	-47.28	246.22	4.61	-42.67
COC(=O)C1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571760	1	26	-1.0	-47.48	246.63	4.60	-42.88
CC(SC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL250004571761	0	23	-1.0	-36.01	245.53	5.73	-30.28
CC(SC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL250004571761	1	23	-1.0	-35.65	244.57	5.74	-29.91
CC(SC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL250004571762	0	23	-1.0	-36.11	243.55	5.67	-30.44
CC(SC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL250004571762	1	23	-1.0	-35.90	242.61	5.67	-30.23
CC(SC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004571763	0	29	-1.0	-39.21	258.59	7.01	-32.20
CC(SC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004571763	1	29	-1.0	-39.44	259.54	7.00	-32.44
CC(SC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004571764	0	23	-1.0	-35.91	235.25	5.33	-30.58
CC(SC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004571764	1	23	-1.0	-36.38	236.20	5.32	-31.06
ClC1=CC(CSC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004571765	0	19	-1.0	-34.41	227.58	3.22	-31.19
ClC1=CC(CSC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004571765	1	19	-1.0	-34.04	227.17	3.23	-30.81
CC1=CC=CC(C)=C1N1N=NN=C1CSC1=NN=N[N-]1	REAL250004571766	0	31	-1.0	-37.18	280.83	4.67	-32.51
CC1=CC=CC(C)=C1N1N=NN=C1CSC1=N[N-]N=N1	REAL250004571766	1	31	-1.0	-37.47	281.29	4.66	-32.81
FC(F)OC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571767	0	24	-1.0	-39.95	238.20	3.73	-36.22
FC(F)OC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571767	1	24	-1.0	-39.65	237.78	3.73	-35.92
CN(C)C(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571768	0	30	-1.0	-46.89	271.10	3.96	-42.93
CN(C)C(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571768	1	30	-1.0	-47.18	271.51	3.96	-43.22
C1=CC2=CC=CC(OCCCSC3=N[N-]N=N3)=C2C=C1	REAL250004571769	0	33	-1.0	-39.48	295.45	6.84	-32.64
C1=CC2=CC=CC(OCCCSC3=NN=N[N-]3)=C2C=C1	REAL250004571769	1	33	-1.0	-39.19	295.04	6.85	-32.34
FC(F)(F)COC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571770	0	27	-1.0	-41.37	269.87	4.83	-36.54
FC(F)(F)COC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571770	1	27	-1.0	-41.13	269.46	4.83	-36.30
CC(C)OC(=O)CC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571771	0	31	-1.0	-44.38	303.18	4.20	-40.18
CC(C)OC(=O)CC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571771	1	31	-1.0	-44.24	302.77	4.20	-40.04
NC1=NN2C(=N1)NC(CSC1=NN=N[N-]1)=CC2=O	REAL250004571772	0	24	-1.0	-41.47	240.43	3.53	-37.94
NC1=NN2C(=N1)NC(CSC1=N[N-]N=N1)=CC2=O	REAL250004571772	1	24	-1.0	-41.95	240.84	3.52	-38.43
CC(SC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL250004571773	0	23	-1.0	-39.16	229.95	5.22	-33.94
CC(SC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL250004571773	1	23	-1.0	-38.97	229.01	5.21	-33.76
CC(SC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004571774	0	29	-1.0	-40.17	254.38	6.87	-33.30
CC(SC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004571774	1	29	-1.0	-40.38	255.33	6.87	-33.51
CC(C)C1=CC=C(CSC2=NN=N[N-]2)C(C(C)C)=C1	REAL250004571775	0	38	-1.0	-38.42	314.50	7.84	-30.58
CC(C)C1=CC=C(CSC2=N[N-]N=N2)C(C(C)C)=C1	REAL250004571775	1	38	-1.0	-38.60	314.92	7.83	-30.77
ClC1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004571776	0	20	-1.0	-36.80	229.73	5.08	-31.72
ClC1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004571776	1	20	-1.0	-36.56	229.32	5.10	-31.46
CC(SC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004571777	0	27	-1.0	-36.23	259.60	4.56	-31.67
CC(SC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004571777	1	27	-1.0	-35.92	258.64	4.57	-31.35
CN1C=C(C(=O)CSC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004571778	0	29	-1.0	-45.53	272.21	5.77	-39.76
CN1C=C(C(=O)CSC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004571778	1	29	-1.0	-46.06	272.62	5.76	-40.30
CC(=O)N(C)C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571779	0	26	-1.0	-43.88	257.38	2.91	-40.97
CC(=O)N(C)C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571779	1	26	-1.0	-43.66	256.97	2.91	-40.75
C1=CC(COC2=CC=C(CSC3=N[N-]N=N3)C=C2)=CC=N1	REAL250004571780	0	33	-1.0	-40.60	305.09	5.66	-34.94
C1=CC(COC2=CC=C(CSC3=NN=N[N-]3)C=C2)=CC=N1	REAL250004571780	1	33	-1.0	-40.34	304.68	5.66	-34.68
C1=CN=CC(COC2=CC=C(CSC3=NN=N[N-]3)C=C2)=C1	REAL250004571781	0	33	-1.0	-40.71	304.63	5.64	-35.07
C1=CN=CC(COC2=CC=C(CSC3=N[N-]N=N3)C=C2)=C1	REAL250004571781	1	33	-1.0	-41.01	305.05	5.64	-35.37
C1=CC=C(COC2=CC=C(CSC3=N[N-]N=N3)C=C2)N=C1	REAL250004571782	0	33	-1.0	-40.63	302.97	5.73	-34.90
C1=CC=C(COC2=CC=C(CSC3=NN=N[N-]3)C=C2)N=C1	REAL250004571782	1	33	-1.0	-40.39	302.56	5.73	-34.66
BrC1=C(CSC2=N[N-]N=N2)SC=C1	REAL250004571783	0	17	-1.0	-37.80	208.62	3.77	-34.03
BrC1=C(CSC2=NN=N[N-]2)SC=C1	REAL250004571783	1	17	-1.0	-37.53	208.21	3.78	-33.75
CC(C)CCC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571784	0	31	-1.0	-39.79	287.57	4.66	-35.13
CC(C)CCC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571784	1	31	-1.0	-39.57	287.16	4.66	-34.91
C1=CC2=CC=CC(OCCSC3=N[N-]N=N3)=C2C=C1	REAL250004571785	0	30	-1.0	-39.79	273.95	6.07	-33.72
C1=CC2=CC=CC(OCCSC3=NN=N[N-]3)=C2C=C1	REAL250004571785	1	30	-1.0	-39.78	273.54	6.07	-33.71
COC(=O)C1=CC=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571786	0	30	-1.0	-42.58	283.70	4.39	-38.19
COC(=O)C1=CC=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571786	1	30	-1.0	-42.51	283.29	4.39	-38.12
CC(C)CCC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571787	0	30	-1.0	-34.74	272.56	2.40	-32.34
CC(C)CCC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571787	1	30	-1.0	-34.37	272.15	2.41	-31.96
C1=CC=C(OC2=CC=CN=C2)C(CSC2=NN=N[N-]2)=C1	REAL250004571788	0	30	-1.0	-43.58	280.81	5.28	-38.30
C1=CC=C(OC2=CC=CN=C2)C(CSC2=N[N-]N=N2)=C1	REAL250004571788	1	30	-1.0	-43.77	281.22	5.27	-38.50
CCC(SC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004571789	0	26	-1.0	-36.51	250.05	5.96	-30.55
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FC1=CC=CC(Cl)=C1CCSC1=NN=N[N-]1	REAL250004571801	1	23	-1.0	-39.46	239.40	5.38	-34.08
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FC(F)OC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571807	1	24	-1.0	-39.43	237.79	3.73	-35.70
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CN1C(=O)C(CSC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004571814	0	28	-1.0	-47.77	260.74	3.34	-44.43
CN1C(=O)C(CSC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004571814	1	28	-1.0	-47.77	261.15	3.32	-44.45
CN1C(=O)C(CSC2=NN=N[N-]2)=NC2=CC(F)=CC=C21	REAL250004571815	0	28	-1.0	-46.09	266.32	3.38	-42.71
CN1C(=O)C(CSC2=N[N-]N=N2)=NC2=CC(F)=CC=C21	REAL250004571815	1	28	-1.0	-46.19	266.74	3.36	-42.83
CC(C)(C)OC(=O)N1CCC(CSC2=N[N-]N=N2)CC1	REAL250004571816	0	40	-1.0	-40.44	323.68	5.05	-35.39
CC(C)(C)OC(=O)N1CCC(CSC2=NN=N[N-]2)CC1	REAL250004571816	1	40	-1.0	-40.18	323.27	5.06	-35.12
C(SC1=N[N-]N=N1)C1=NN=C2CCCCCN12	REAL250004571817	0	29	-1.0	-41.63	250.47	4.43	-37.20
C(SC1=NN=N[N-]1)C1=NN=C2CCCCCN12	REAL250004571817	1	29	-1.0	-41.41	250.06	4.43	-36.98
CC(SC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL250004571818	0	35	-1.0	-37.71	288.87	7.10	-30.61
CC(SC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL250004571818	1	35	-1.0	-37.98	289.82	7.09	-30.89
CC(C)N1N=CC2=CC(CSC3=NN=N[N-]3)=CN=C21	REAL250004571819	0	31	-1.0	-39.53	285.46	4.85	-34.68
CC(C)N1N=CC2=CC(CSC3=N[N-]N=N3)=CN=C21	REAL250004571819	1	31	-1.0	-39.84	285.87	4.85	-34.99
CC(C)CNC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571820	0	36	-1.0	-46.11	317.28	4.77	-41.34
CC(C)CNC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571820	1	36	-1.0	-45.88	316.87	4.77	-41.11
FC1=CC=CC=C1C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571821	0	26	-1.0	-41.18	267.06	4.89	-36.29
FC1=CC=CC=C1C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571821	1	26	-1.0	-41.35	267.47	4.89	-36.46
ClC1=CN2C=C(CSC3=NN=N[N-]3)N=C2C=C1	REAL250004571822	0	23	-1.0	-41.96	242.23	5.12	-36.84
ClC1=CN2C=C(CSC3=N[N-]N=N3)N=C2C=C1	REAL250004571822	1	23	-1.0	-42.30	242.64	5.12	-37.18
CN(CC1=CN(C)N=C1)C(=O)CSC1=NN=N[N-]1	REAL250004571823	0	30	-1.0	-42.15	278.87	2.48	-39.67
CN(CC1=CN(C)N=C1)C(=O)CSC1=N[N-]N=N1	REAL250004571823	1	30	-1.0	-42.59	279.28	2.47	-40.12
C1=CC2=CC=C(OCCCSC3=N[N-]N=N3)C=C2C=C1	REAL250004571824	0	33	-1.0	-39.13	296.43	6.80	-32.33
C1=CC2=CC=C(OCCCSC3=NN=N[N-]3)C=C2C=C1	REAL250004571824	1	33	-1.0	-38.81	296.01	6.81	-32.00
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COCCS(=O)(=O)CCCSC1=N[N-]N=N1	REAL250004571826	0	29	-1.0	-45.34	279.30	-0.59	-45.93
COCCS(=O)(=O)CCCSC1=NN=N[N-]1	REAL250004571826	1	29	-1.0	-44.96	278.89	-0.57	-45.53
O=C(CCSC1=N[N-]N=N1)NC1=CC=CC(F)=C1	REAL250004571827	0	27	-1.0	-49.05	260.63	3.26	-45.79
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O=C(NC1CC1)C(SC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004571828	0	31	-1.0	-36.56	288.31	4.05	-32.51
O=C(NC1CC1)C(SC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004571828	1	31	-1.0	-35.46	284.97	4.83	-30.63
NC(=O)C(SC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004571829	0	24	-1.0	-44.04	231.95	1.00	-43.04
NC(=O)C(SC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004571829	1	24	-1.0	-44.18	233.20	0.96	-43.22
FC(F)(F)CN1C=CN=C1CSC1=N[N-]N=N1	REAL250004571830	0	23	-1.0	-42.22	236.14	3.59	-38.63
FC(F)(F)CN1C=CN=C1CSC1=NN=N[N-]1	REAL250004571830	1	23	-1.0	-42.09	235.73	3.60	-38.49
CC1=CN(CCCCCSC2=NN=N[N-]2)N=C1	REAL250004571831	0	32	-1.0	-40.80	287.39	5.15	-35.65
CC1=CN(CCCCCSC2=N[N-]N=N2)N=C1	REAL250004571831	1	32	-1.0	-41.17	287.80	5.14	-36.03
CN(C)S(=O)(=O)CCCSC1=N[N-]N=N1	REAL250004571832	0	27	-1.0	-42.84	257.59	0.01	-42.83
CN(C)S(=O)(=O)CCCSC1=NN=N[N-]1	REAL250004571832	1	27	-1.0	-42.48	257.18	0.03	-42.45
ClC1=CC=CC=C1SCCCSC1=N[N-]N=N1	REAL250004571833	0	27	-1.0	-38.13	275.75	6.60	-31.53
ClC1=CC=CC=C1SCCCSC1=NN=N[N-]1	REAL250004571833	1	27	-1.0	-37.80	275.33	6.61	-31.19
O=C(CSC1=N[N-]N=N1)NC1=NN=C(C2CCCO2)O1	REAL250004571834	1	30	-1.0	-46.58	283.20	-3.43	-50.01
CC(SC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004571835	0	26	-1.0	-36.20	252.36	5.77	-30.43
CC(SC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004571835	1	26	-1.0	-35.84	251.41	5.78	-30.06
CC(C)CC(=O)NNC(=O)C(C)SC1=N[N-]N=N1	REAL250004571836	0	33	-1.0	-40.49	291.39	1.01	-39.48
CC(C)CC(=O)NNC(=O)C(C)SC1=NN=N[N-]1	REAL250004571836	1	33	-1.0	-40.14	290.44	1.01	-39.13
CCOC(=O)CN(C)C(=O)CSC1=N[N-]N=N1	REAL250004571837	0	29	-1.0	-44.56	272.84	2.97	-41.59
CCOC(=O)CN(C)C(=O)CSC1=NN=N[N-]1	REAL250004571837	1	29	-1.0	-44.09	272.43	2.98	-41.11
O=C1C(SC2=NN=N[N-]2)CCN1C1=CC=CC=C1	REAL250004571838	0	28	-1.0	-54.22	249.57	4.53	-49.69
O=C1C(SC2=N[N-]N=N2)CCN1C1=CC=CC=C1	REAL250004571838	1	28	-1.0	-53.69	251.05	4.61	-49.08
CCN1C2=CC=CC(F)=C2N=C1CSC1=NN=N[N-]1	REAL250004571839	0	29	-1.0	-44.17	271.70	5.34	-38.83
CCN1C2=CC=CC(F)=C2N=C1CSC1=N[N-]N=N1	REAL250004571839	1	29	-1.0	-44.44	272.12	5.33	-39.11
O=C(CSC1=N[N-]N=N1)NCC(=O)C1=CC=CS1	REAL250004571840	0	26	-1.0	-41.12	268.84	1.53	-39.59
O=C(CSC1=NN=N[N-]1)NCC(=O)C1=CC=CS1	REAL250004571840	1	26	-1.0	-40.76	268.43	1.54	-39.22
COC1=CC(CSC2=NN=N[N-]2)=CC=C1SC	REAL250004571841	0	28	-1.0	-38.81	267.45	4.49	-34.32
COC1=CC(CSC2=N[N-]N=N2)=CC=C1SC	REAL250004571841	1	28	-1.0	-39.06	267.86	4.49	-34.57
FC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CO2)C=C1F	REAL250004571842	0	26	-1.0	-38.89	267.88	2.66	-36.23
FC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CO2)C=C1F	REAL250004571842	1	26	-1.0	-39.16	268.30	2.66	-36.50
O=C(CSC1=NN=N[N-]1)NCC1=CC=CN=C1	REAL250004571843	0	26	-1.0	-40.35	252.79	0.74	-39.61
O=C(CSC1=N[N-]N=N1)NCC1=CC=CN=C1	REAL250004571843	1	26	-1.0	-40.79	253.20	0.73	-40.06
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004571844	0	26	-1.0	-43.92	246.28	4.89	-39.03
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004571844	1	26	-1.0	-43.94	247.69	4.86	-39.08
C1=CSC(C2=CN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004571845	0	23	-1.0	-38.30	245.89	1.77	-36.53
C1=CSC(C2=CN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004571845	1	23	-1.0	-38.57	246.30	1.76	-36.81
O=C(NCCSC1=N[N-]N=N1)OCC(F)(F)F	REAL250004571846	0	24	-1.0	-37.32	252.11	0.26	-37.06
O=C(NCCSC1=NN=N[N-]1)OCC(F)(F)F	REAL250004571846	1	24	-1.0	-36.97	251.70	0.28	-36.69
O=[N+]([O-])C1=CC=CC(F)=C1CSC1=NN=N[N-]1	REAL250004571847	0	22	-1.0	-49.41	224.73	4.63	-44.78
O=[N+]([O-])C1=CC=CC(F)=C1CSC1=N[N-]N=N1	REAL250004571847	1	22	-1.0	-49.62	225.15	4.61	-45.01
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CSC1=NN=N[N-]1	REAL250004571848	0	32	-1.0	-41.85	294.68	5.73	-36.12
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CSC1=N[N-]N=N1	REAL250004571848	1	32	-1.0	-42.07	295.09	5.72	-36.35
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COC(=O)CCCC1=NC(CSC2=N[N-]N=N2)=NO1	REAL250004571867	0	30	-1.0	-47.00	288.96	1.93	-45.07
COC(=O)CCCC1=NC(CSC2=NN=N[N-]2)=NO1	REAL250004571867	1	30	-1.0	-46.64	288.54	1.93	-44.71
CN1C=C(N2CCC(SC3=NN=N[N-]3)C2=O)C=N1	REAL250004571868	0	28	-1.0	-52.52	255.77	2.36	-50.16
CN1C=C(N2CCC(SC3=N[N-]N=N3)C2=O)C=N1	REAL250004571868	1	28	-1.0	-51.95	257.72	2.44	-49.51
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COC1=CC=C(OCCSC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004571872	0	30	-1.0	-46.39	284.41	4.45	-41.94
COC1=CC=C(OCCSC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004571872	1	30	-1.0	-46.54	284.00	4.45	-42.09
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ClC1=CC=CC=C1C1=CN=C(CSC2=NN=N[N-]2)O1	REAL250004571873	1	26	-1.0	-40.86	270.48	3.19	-37.67
CC1=CC=C(N2CCC(SC3=NN=N[N-]3)C2=O)C=C1	REAL250004571874	0	31	-1.0	-54.42	270.99	5.21	-49.21
CC1=CC=C(N2CCC(SC3=N[N-]N=N3)C2=O)C=C1	REAL250004571874	1	31	-1.0	-53.92	272.49	5.28	-48.64
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CC1=CC=CC(C)=C1OCCCSC1=N[N-]N=N1	REAL250004571877	0	33	-1.0	-37.91	292.16	6.05	-31.86
CC1=CC=CC(C)=C1OCCCSC1=NN=N[N-]1	REAL250004571877	1	33	-1.0	-37.76	291.75	6.06	-31.70
CC(C)(C)C1=CC=CC(OCCCSC2=N[N-]N=N2)=C1	REAL250004571878	0	39	-1.0	-37.58	326.59	6.83	-30.75
CC(C)(C)C1=CC=CC(OCCCSC2=NN=N[N-]2)=C1	REAL250004571878	1	39	-1.0	-37.32	326.18	6.84	-30.48
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CC1=CC=CC(CNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571880	0	30	-1.0	-39.36	279.77	3.18	-36.18
CC1=CC=CC(CNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571880	1	30	-1.0	-38.93	279.36	3.19	-35.74
COC(=O)C1=CC=CN2C=C(CSC3=NN=N[N-]3)N=C12	REAL250004571881	0	29	-1.0	-49.96	280.42	5.44	-44.52
COC(=O)C1=CC=CN2C=C(CSC3=N[N-]N=N3)N=C12	REAL250004571881	1	29	-1.0	-50.20	280.83	5.44	-44.76
FC1=CC=C(CC2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571882	0	28	-1.0	-36.06	278.32	3.41	-32.65
FC1=CC=C(CC2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571882	1	28	-1.0	-35.69	277.91	3.42	-32.27
CCOC(C)C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571883	0	28	-1.0	-36.20	266.29	0.21	-35.99
CCOC(C)C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571883	1	28	-1.0	-35.89	265.88	0.22	-35.67
COC(=O)C1=CC2=CC(CSC3=NN=N[N-]3)=CC=C2O1	REAL250004571884	0	29	-1.0	-39.05	282.68	5.32	-33.73
COC(=O)C1=CC2=CC(CSC3=N[N-]N=N3)=CC=C2O1	REAL250004571884	1	29	-1.0	-39.39	283.10	5.31	-34.08
FC1=CC=C(C(SC2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL250004571885	0	30	-1.0	-37.94	274.58	7.50	-30.44
FC1=CC=C(C(SC2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL250004571885	1	30	-1.0	-38.28	276.29	7.49	-30.79
CC(=O)N(C1=NC(CSC2=N[N-]N=N2)=CS1)C1CC1	REAL250004571886	0	30	-1.0	-53.61	285.35	4.37	-49.24
CC(=O)N(C1=NC(CSC2=NN=N[N-]2)=CS1)C1CC1	REAL250004571886	1	30	-1.0	-53.47	284.93	4.37	-49.10
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004571887	0	26	-1.0	-42.60	263.02	5.39	-37.21
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004571887	1	26	-1.0	-42.60	264.42	5.36	-37.24
C1=CC2=CC=CC(CCCSC3=N[N-]N=N3)=C2C=C1	REAL250004571888	0	32	-1.0	-39.04	284.41	7.81	-31.23
C1=CC2=CC=CC(CCCSC3=NN=N[N-]3)=C2C=C1	REAL250004571888	1	32	-1.0	-38.76	284.00	7.83	-30.93
CC(SC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004571889	0	27	-1.0	-36.23	259.60	4.56	-31.67
CC(SC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004571889	1	27	-1.0	-35.92	258.64	4.57	-31.35
CC(SC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL250004571890	0	27	-1.0	-40.33	252.86	4.34	-35.99
CC(SC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1	REAL250004571890	1	27	-1.0	-39.97	251.90	4.35	-35.62
ClC1=CC=C(CCCSC2=N[N-]N=N2)C=C1	REAL250004571891	0	26	-1.0	-36.98	258.67	6.22	-30.76
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COC1=CC(C#N)=CC=C1OCCSC1=N[N-]N=N1	REAL250004571892	0	29	-1.0	-41.04	278.94	4.04	-37.00
COC1=CC(C#N)=CC=C1OCCSC1=NN=N[N-]1	REAL250004571892	1	29	-1.0	-41.00	278.53	4.04	-36.96
FC(F)(F)COC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571893	0	27	-1.0	-39.23	269.87	4.83	-34.40
FC(F)(F)COC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571893	1	27	-1.0	-38.93	269.46	4.84	-34.09
CCC(SC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004571894	0	26	-1.0	-36.00	245.66	5.38	-30.62
CCC(SC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004571894	1	26	-1.0	-36.18	246.78	5.42	-30.76
N#CC1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004571895	0	28	-1.0	-38.87	271.23	4.92	-33.95
N#CC1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004571895	1	28	-1.0	-38.51	270.81	4.93	-33.58
O=[N+]([O-])C1=CC=C(Cl)C(CSC2=NN=N[N-]2)=C1	REAL250004571896	0	22	-1.0	-38.43	240.81	5.25	-33.18
O=[N+]([O-])C1=CC=C(Cl)C(CSC2=N[N-]N=N2)=C1	REAL250004571896	1	22	-1.0	-38.71	241.22	5.25	-33.46
FC(F)OC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571897	0	24	-1.0	-40.76	236.44	3.79	-36.97
FC(F)OC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571897	1	24	-1.0	-40.99	236.86	3.78	-37.21
O=C1C(SC2=N[N-]N=N2)CCN1C1=CC=C(Cl)C=C1	REAL250004571898	0	28	-1.0	-51.85	267.82	5.13	-46.72
O=C1C(SC2=NN=N[N-]2)CCN1C1=CC=C(Cl)C=C1	REAL250004571898	1	28	-1.0	-52.42	266.32	5.05	-47.37
ClC1=CC(Cl)=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004571899	0	24	-1.0	-35.44	262.37	4.75	-30.69
ClC1=CC(Cl)=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004571899	1	24	-1.0	-35.32	261.96	4.76	-30.56
CCOC(C)C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571900	0	29	-1.0	-39.43	281.06	2.56	-36.87
CCOC(C)C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571900	1	29	-1.0	-39.21	280.65	2.56	-36.65
O=C(CSC1=N[N-]N=N1)NC1CCSC1=O	REAL250004571901	0	24	-1.0	-48.56	244.12	0.28	-48.28
O=C(CSC1=NN=N[N-]1)NC1CCSC1=O	REAL250004571901	1	24	-1.0	-48.10	243.71	0.30	-47.80
O=C(CCSC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1	REAL250004571902	0	27	-1.0	-47.77	270.95	3.71	-44.06
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FC(F)OC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571903	0	24	-1.0	-39.67	238.20	3.73	-35.94
FC(F)OC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571903	1	24	-1.0	-39.43	237.79	3.73	-35.70
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004571904	0	26	-1.0	-47.14	252.79	4.84	-42.30
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004571904	1	26	-1.0	-46.99	254.18	4.82	-42.17
CC(SC1=NN=N[N-]1)C1=NC(C2=NNC=N2)=NO1	REAL250004571905	0	24	-1.0	-42.56	241.27	0.57	-41.99
CC(SC1=N[N-]N=N1)C1=NC(C2=NNC=N2)=NO1	REAL250004571905	1	24	-1.0	-42.82	242.22	0.57	-42.25
COC1=CC2=CC=C(C(C)SC3=NN=N[N-]3)C=C2C=C1	REAL250004571906	0	33	-1.0	-39.67	287.89	6.31	-33.36
COC1=CC2=CC=C(C(C)SC3=N[N-]N=N3)C=C2C=C1	REAL250004571906	1	33	-1.0	-40.00	288.85	6.30	-33.70
O=C1NC2(CCCC2)C(=O)N1CCSC1=N[N-]N=N1	REAL250004571907	0	32	-1.0	-42.77	286.19	1.60	-41.17
O=C1NC2(CCCC2)C(=O)N1CCSC1=NN=N[N-]1	REAL250004571907	1	32	-1.0	-42.69	285.78	1.60	-41.09
CC1=CC=C(N2CCCC(SC3=NN=N[N-]3)C2=O)C=C1	REAL250004571908	0	34	-1.0	-52.62	292.92	6.03	-46.59
CC1=CC=C(N2CCCC(SC3=N[N-]N=N3)C2=O)C=C1	REAL250004571908	1	34	-1.0	-52.83	293.80	6.02	-46.81
CC1=CC=CC=C1C1=NOC(C(C)SC2=NN=N[N-]2)=N1	REAL250004571909	0	31	-1.0	-36.41	281.20	4.34	-32.07
CC1=CC=CC=C1C1=NOC(C(C)SC2=N[N-]N=N2)=N1	REAL250004571909	1	31	-1.0	-36.65	282.15	4.34	-32.31
COC1=CC=CC(C2=NN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004571910	0	29	-1.0	-39.97	279.95	-0.60	-40.57
COC1=CC=CC(C2=NN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004571910	1	29	-1.0	-39.66	279.54	-0.59	-40.25
CC1=CC=C(C2=CN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571911	0	29	-1.0	-39.33	275.11	3.30	-36.03
CC1=CC=C(C2=CN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571911	1	29	-1.0	-39.62	275.53	3.29	-36.33
C1=CC=C(CCC2=NOC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004571912	0	31	-1.0	-35.42	293.40	4.13	-31.29
C1=CC=C(CCC2=NOC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004571912	1	31	-1.0	-35.12	292.99	4.14	-30.98
CC(C)COC(C)C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571913	0	34	-1.0	-36.28	307.89	1.71	-34.57
CC(C)COC(C)C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571913	1	34	-1.0	-35.91	307.48	1.72	-34.19
CC1=C(C)C(C)=C(NC(=O)CSC2=N[N-]N=N2)S1	REAL250004571914	0	30	-1.0	-40.18	280.56	3.59	-36.59
CC1=C(C)C(C)=C(NC(=O)CSC2=NN=N[N-]2)S1	REAL250004571914	1	30	-1.0	-39.70	280.15	3.59	-36.11
FC(F)(F)CC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571915	0	21	-1.0	-36.20	231.00	0.62	-35.58
FC(F)(F)CC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571915	1	21	-1.0	-35.84	230.59	0.63	-35.21
CNC(=O)CC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571916	0	26	-1.0	-47.83	265.22	0.09	-47.74
CNC(=O)CC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571916	1	26	-1.0	-47.75	264.81	0.09	-47.66
COC1=CC=CC=C1C1=NN=C(CSC2=NN=N[N-]2)O1	REAL250004571917	0	29	-1.0	-42.33	277.36	-0.19	-42.52
COC1=CC=CC=C1C1=NN=C(CSC2=N[N-]N=N2)O1	REAL250004571917	1	29	-1.0	-42.51	277.77	-0.20	-42.71
O=C(CSC1=N[N-]N=N1)NC1=CC=C(F)C(Cl)=C1	REAL250004571918	0	24	-1.0	-38.02	254.88	2.97	-35.05
O=C(CSC1=NN=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250004571918	1	24	-1.0	-37.49	254.47	2.98	-34.51
CN1C=C(S(=O)(=O)NCCSC2=NN=N[N-]2)C=N1	REAL250004571919	0	28	-1.0	-44.62	279.32	-1.80	-46.42
CN1C=C(S(=O)(=O)NCCSC2=N[N-]N=N2)C=N1	REAL250004571919	1	28	-1.0	-44.88	279.73	-1.81	-46.69
COC1=CC=CC=C1C1=CN=C(CSC2=NN=N[N-]2)O1	REAL250004571920	0	30	-1.0	-42.31	284.83	2.05	-40.26
COC1=CC=CC=C1C1=CN=C(CSC2=N[N-]N=N2)O1	REAL250004571920	1	30	-1.0	-42.54	285.24	2.04	-40.50
CC1=NN(C)C(N2CCC(SC3=N[N-]N=N3)C2=O)=C1	REAL250004571921	0	31	-1.0	-54.41	270.86	3.62	-50.79
CC1=NN(C)C(N2CCC(SC3=NN=N[N-]3)C2=O)=C1	REAL250004571921	1	31	-1.0	-53.71	280.81	3.84	-49.87
CC1=CC=CC=C1C1=CN=C(CSC2=NN=N[N-]2)O1	REAL250004571922	0	29	-1.0	-38.88	274.14	3.31	-35.57
CC1=CC=CC=C1C1=CN=C(CSC2=N[N-]N=N2)O1	REAL250004571922	1	29	-1.0	-39.14	274.55	3.30	-35.84
FC1=CC=CC(C2=NN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004571923	0	25	-1.0	-37.93	256.48	0.18	-37.75
FC1=CC=CC(C2=NN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004571923	1	25	-1.0	-38.23	256.89	0.16	-38.07
FC1=CC=CC=C1C1=CN=C(CSC2=NN=N[N-]2)O1	REAL250004571924	0	26	-1.0	-42.20	262.01	2.76	-39.44
FC1=CC=CC=C1C1=CN=C(CSC2=N[N-]N=N2)O1	REAL250004571924	1	26	-1.0	-42.33	262.42	2.75	-39.58
ClC1=CC=C(Cl)C(CSC2=N[N-]N=N2)=C1	REAL250004571925	0	20	-1.0	-37.57	229.73	5.08	-32.49
ClC1=CC=C(Cl)C(CSC2=NN=N[N-]2)=C1	REAL250004571925	1	20	-1.0	-37.33	229.32	5.09	-32.24
CS(=O)(=O)CC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571926	0	25	-1.0	-52.32	269.15	-0.67	-52.99
CS(=O)(=O)CC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571926	1	25	-1.0	-52.23	268.73	-0.66	-52.89
N#CC1=CC=C(C2=NN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004571927	0	26	-1.0	-38.67	271.27	0.49	-38.18
N#CC1=CC=C(C2=NN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004571927	1	26	-1.0	-38.36	270.86	0.50	-37.86
N#CC1=CC=CC(C2=NN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004571928	0	26	-1.0	-40.43	270.90	0.49	-39.94
N#CC1=CC=CC(C2=NN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004571928	1	26	-1.0	-40.74	271.32	0.48	-40.26
CN1C=CC(N2CCCC(SC3=NN=N[N-]3)C2=O)=N1	REAL250004571929	0	31	-1.0	-54.18	268.26	4.01	-50.17
CN1C=CC(N2CCCC(SC3=N[N-]N=N3)C2=O)=N1	REAL250004571929	1	31	-1.0	-54.45	269.13	3.99	-50.46
CN1C=C(N2CCCC(SC3=NN=N[N-]3)C2=O)C=N1	REAL250004571930	0	31	-1.0	-60.64	265.98	2.95	-57.69
CN1C=C(N2CCCC(SC3=N[N-]N=N3)C2=O)C=N1	REAL250004571930	1	31	-1.0	-60.96	266.86	2.95	-58.01
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C(OC)=C1	REAL250004571931	0	30	-1.0	-41.09	281.46	4.17	-36.92
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C(OC)=C1	REAL250004571931	1	30	-1.0	-41.41	281.87	4.16	-37.25
FC(F)(F)COC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571932	0	27	-1.0	-45.21	268.54	4.90	-40.31
FC(F)(F)COC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571932	1	27	-1.0	-44.97	268.13	4.91	-40.06
CCOC1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004571933	0	31	-1.0	-41.68	280.01	4.55	-37.13
CCOC1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004571933	1	31	-1.0	-41.74	279.60	4.55	-37.19
CC(C)(C)C(=O)NNC(=O)CSC1=N[N-]N=N1	REAL250004571934	0	30	-1.0	-40.27	274.22	0.14	-40.13
CC(C)(C)C(=O)NNC(=O)CSC1=NN=N[N-]1	REAL250004571934	1	30	-1.0	-39.88	273.81	0.15	-39.73
CNC(=O)CC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571935	0	25	-1.0	-45.08	250.21	-2.30	-47.38
CNC(=O)CC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571935	1	25	-1.0	-44.64	249.80	-2.29	-46.93
COC1=CC=CC(CCCSC2=N[N-]N=N2)=C1	REAL250004571936	0	30	-1.0	-39.31	271.44	5.00	-34.31
COC1=CC=CC(CCCSC2=NN=N[N-]2)=C1	REAL250004571936	1	30	-1.0	-39.00	271.03	5.02	-33.98
CC1=CC=CC(C(=O)NNC(=O)CSC2=N[N-]N=N2)=C1	REAL250004571937	0	31	-1.0	-41.28	292.58	1.89	-39.39
CC1=CC=CC(C(=O)NNC(=O)CSC2=NN=N[N-]2)=C1	REAL250004571937	1	31	-1.0	-40.96	292.17	1.91	-39.05
CSC1=CC=C(OCCSC2=N[N-]N=N2)C=C1	REAL250004571938	0	28	-1.0	-37.82	269.10	4.74	-33.08
CSC1=CC=C(OCCSC2=NN=N[N-]2)C=C1	REAL250004571938	1	28	-1.0	-37.75	268.69	4.74	-33.01
CS(=O)(=O)CC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571939	0	24	-1.0	-49.63	254.13	-2.91	-52.54
CS(=O)(=O)CC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571939	1	24	-1.0	-49.19	253.72	-2.90	-52.09
CC(SC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004571940	0	25	-1.0	-46.05	231.56	5.12	-40.93
CC(SC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004571940	1	25	-1.0	-45.98	232.50	5.12	-40.86
CC(SC1=N[N-]N=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL250004571941	0	31	-1.0	-35.40	288.86	4.05	-31.35
CC(SC1=NN=N[N-]1)C1=NC(CC2=CC=CC=C2)=NO1	REAL250004571941	1	31	-1.0	-35.13	287.91	4.04	-31.09
C#CCN1CCN(C(=O)CSC2=N[N-]N=N2)CC1	REAL250004571942	0	31	-1.0	-39.94	276.44	1.36	-38.58
C#CCN1CCN(C(=O)CSC2=NN=N[N-]2)CC1	REAL250004571942	1	31	-1.0	-39.50	276.03	1.36	-38.14
CCC1=C(CSC2=N[N-]N=N2)C=C(C(=O)OC)O1	REAL250004571943	0	29	-1.0	-38.87	276.40	4.37	-34.50
CCC1=C(CSC2=NN=N[N-]2)C=C(C(=O)OC)O1	REAL250004571943	1	29	-1.0	-38.57	275.98	4.38	-34.19
CS(=O)(=O)N1CCCC(CSC2=N[N-]N=N2)C1	REAL250004571944	0	31	-1.0	-45.39	275.35	0.79	-44.60
CS(=O)(=O)N1CCCC(CSC2=NN=N[N-]2)C1	REAL250004571944	1	31	-1.0	-45.06	274.93	0.80	-44.26
CC1=CC=CC=C1CC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571945	0	31	-1.0	-35.73	289.06	3.88	-31.85
CC1=CC=CC=C1CC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571945	1	31	-1.0	-35.43	288.65	3.89	-31.54
O=[N+]([O-])C1=CC=C(CSC2=NN=N[N-]2)C(F)=C1	REAL250004571946	0	22	-1.0	-36.91	232.06	4.85	-32.06
O=[N+]([O-])C1=CC=C(CSC2=N[N-]N=N2)C(F)=C1	REAL250004571946	1	22	-1.0	-37.31	232.47	4.85	-32.46
COC(C)C1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004571947	0	26	-1.0	-39.59	259.20	1.59	-38.00
COC(C)C1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004571947	1	26	-1.0	-39.37	258.79	1.59	-37.78
C1=CN(C2=CC=C(CSC3=N[N-]N=N3)C=N2)C=N1	REAL250004571948	0	26	-1.0	-40.19	251.98	5.80	-34.39
C1=CN(C2=CC=C(CSC3=NN=N[N-]3)C=N2)C=N1	REAL250004571948	1	26	-1.0	-39.86	251.57	5.81	-34.05
N#CC1=CC=C(S(=O)(=O)CCSC2=N[N-]N=N2)C=C1	REAL250004571949	0	27	-1.0	-45.88	280.51	2.33	-43.55
N#CC1=CC=C(S(=O)(=O)CCSC2=NN=N[N-]2)C=C1	REAL250004571949	1	27	-1.0	-45.71	280.10	2.34	-43.37
O=[N+]([O-])C1=CC=C2OC(CSC3=NN=N[N-]3)=NC2=C1	REAL250004571950	0	24	-1.0	-37.45	249.01	1.78	-35.67
O=[N+]([O-])C1=CC=C2OC(CSC3=N[N-]N=N3)=NC2=C1	REAL250004571950	1	24	-1.0	-37.78	249.42	1.77	-36.01
FC1=CC(CSC2=N[N-]N=N2)=CC=C1Br	REAL250004571951	0	20	-1.0	-35.67	225.95	4.81	-30.86
FC1=CC(CSC2=NN=N[N-]2)=CC=C1Br	REAL250004571951	1	20	-1.0	-35.37	225.54	4.81	-30.56
O=C(NCCCSC1=N[N-]N=N1)C1CCCC1	REAL250004571952	0	33	-1.0	-42.81	284.66	2.95	-39.86
O=C(NCCCSC1=NN=N[N-]1)C1CCCC1	REAL250004571952	1	33	-1.0	-42.69	284.25	2.96	-39.73
COC1=CC=C(Cl)C=C1CSC1=NN=N[N-]1	REAL250004571953	0	24	-1.0	-40.11	243.43	4.03	-36.08
COC1=CC=C(Cl)C=C1CSC1=N[N-]N=N1	REAL250004571953	1	24	-1.0	-40.34	243.84	4.02	-36.32
ClC1=CC=C(C#CCSC2=N[N-]N=N2)C=C1	REAL250004571954	0	22	-1.0	-35.88	243.34	6.15	-29.73
ClC1=CC=C(C#CCSC2=NN=N[N-]2)C=C1	REAL250004571954	1	22	-1.0	-35.60	242.93	6.15	-29.45
N#CC1=C(N2CCC(SC3=N[N-]N=N3)C2=O)SC=C1	REAL250004571955	0	26	-1.0	-45.40	260.64	3.80	-41.60
N#CC1=C(N2CCC(SC3=NN=N[N-]3)C2=O)SC=C1	REAL250004571955	1	26	-1.0	-45.53	258.65	3.72	-41.81
FC1=CC(Br)=CC(CSC2=N[N-]N=N2)=C1	REAL250004571956	0	20	-1.0	-34.97	226.65	4.83	-30.14
FC1=CC(Br)=CC(CSC2=NN=N[N-]2)=C1	REAL250004571956	1	20	-1.0	-34.65	226.24	4.83	-29.82
FC(F)(F)C1=CC=C(CCCSC2=N[N-]N=N2)C=C1	REAL250004571957	0	29	-1.0	-37.41	280.67	6.71	-30.70
FC(F)(F)C1=CC=C(CCCSC2=NN=N[N-]2)C=C1	REAL250004571957	1	29	-1.0	-37.07	280.26	6.72	-30.35
CN(C)C(=O)SC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004571958	0	31	-1.0	-43.78	298.57	4.79	-38.99
CN(C)C(=O)SC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004571958	1	31	-1.0	-43.88	298.98	4.79	-39.09
O=C1C(SC2=N[N-]N=N2)CCN1C1CCOCC1	REAL250004571959	0	32	-1.0	-56.33	268.19	2.19	-54.14
O=C1C(SC2=NN=N[N-]2)CCN1C1CCOCC1	REAL250004571959	1	32	-1.0	-56.12	267.13	2.21	-53.91
O=[N+]([O-])C1=CC=C(Cl)C=C1CSC1=NN=N[N-]1	REAL250004571960	0	22	-1.0	-43.19	236.19	5.09	-38.10
O=[N+]([O-])C1=CC=C(Cl)C=C1CSC1=N[N-]N=N1	REAL250004571960	1	22	-1.0	-43.43	236.60	5.09	-38.34
O=C1C(SC2=N[N-]N=N2)CCN1C1=CC=CC(Cl)=C1	REAL250004571961	0	28	-1.0	-49.37	267.40	5.11	-44.26
O=C1C(SC2=NN=N[N-]2)CCN1C1=CC=CC(Cl)=C1	REAL250004571961	1	28	-1.0	-50.02	265.51	5.07	-44.95
COCCCS(=O)(=O)NCCSC1=N[N-]N=N1	REAL250004571962	0	31	-1.0	-45.21	294.20	-1.96	-47.17
COCCCS(=O)(=O)NCCSC1=NN=N[N-]1	REAL250004571962	1	31	-1.0	-45.03	293.79	-1.95	-46.98
N#CC1=CC=C(CSC2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004571963	0	25	-1.0	-40.02	257.69	4.16	-35.86
N#CC1=CC=C(CSC2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004571963	1	25	-1.0	-39.74	257.28	4.17	-35.57
CC(SC1=N[N-]N=N1)C1=NC=C(C(C)(C)C)O1	REAL250004571964	0	31	-1.0	-38.43	273.19	2.29	-36.14
CC(SC1=NN=N[N-]1)C1=NC=C(C(C)(C)C)O1	REAL250004571964	1	31	-1.0	-38.14	272.24	2.29	-35.85
FC1=CC=CC(Cl)=C1CCSC1=N[N-]N=N1	REAL250004571965	0	23	-1.0	-39.65	239.81	5.37	-34.28
FC1=CC=CC(Cl)=C1CCSC1=NN=N[N-]1	REAL250004571965	1	23	-1.0	-39.46	239.40	5.38	-34.08
CCC(SC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004571966	0	26	-1.0	-36.79	256.05	6.03	-30.76
CCC(SC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004571966	1	26	-1.0	-36.52	254.61	6.06	-30.46
CC(SC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004571967	0	29	-1.0	-40.34	265.46	4.54	-35.80
CC(SC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004571967	1	29	-1.0	-40.37	266.41	4.53	-35.84
C1=CC(C2CCCCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004571968	0	36	-1.0	-37.61	300.80	7.95	-29.66
C1=CC(C2CCCCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004571968	1	36	-1.0	-37.34	300.38	7.95	-29.39
CC(=O)OC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571969	0	26	-1.0	-41.21	254.14	5.38	-35.83
CC(=O)OC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571969	1	26	-1.0	-41.46	254.55	5.38	-36.08
ClC1=CC=C(N2C=C(CSC3=N[N-]N=N3)N=N2)C=C1	REAL250004571970	0	26	-1.0	-41.30	268.58	4.45	-36.85
ClC1=CC=C(N2C=C(CSC3=NN=N[N-]3)N=N2)C=C1	REAL250004571970	1	26	-1.0	-41.08	268.17	4.45	-36.63
O=C(C1=CC=CC=C1)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004571971	0	32	-1.0	-40.30	295.19	7.40	-32.90
O=C(C1=CC=CC=C1)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004571971	1	32	-1.0	-40.59	295.60	7.40	-33.19
CC1=C(CSC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004571972	0	29	-1.0	-41.24	257.78	6.82	-34.42
CC1=C(CSC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004571972	1	29	-1.0	-41.46	258.20	6.80	-34.66
O=C(NCCCSC1=N[N-]N=N1)C(F)(F)F	REAL250004571973	1	23	-1.0	-39.56	240.49	0.65	-38.91
O=C(NCCCSC1=NN=N[N-]1)C(F)(F)F	REAL250004571973	1	23	-1.0	-39.30	240.08	0.66	-38.64
C1=CN(C2CCCC2)N=C1CSC1=N[N-]N=N1	REAL250004571974	0	30	-1.0	-41.68	264.73	4.46	-37.22
C1=CN(C2CCCC2)N=C1CSC1=NN=N[N-]1	REAL250004571974	1	30	-1.0	-41.47	264.32	4.46	-37.01
O=C1C(SC2=N[N-]N=N2)CCN1C1=C(F)C=CC=C1F	REAL250004571975	0	28	-1.0	-55.43	272.00	5.11	-50.32
O=C1C(SC2=NN=N[N-]2)CCN1C1=C(F)C=CC=C1F	REAL250004571975	1	28	-1.0	-55.68	270.02	5.04	-50.64
C1=CC2=NSN=C2C(CSC2=NN=N[N-]2)=C1	REAL250004571976	0	21	-1.0	-43.46	222.75	2.47	-40.99
C1=CC2=NSN=C2C(CSC2=N[N-]N=N2)=C1	REAL250004571976	1	21	-1.0	-43.69	223.16	2.47	-41.22
CC1=CC(C2=NOC(CSC3=NN=N[N-]3)=N2)=CC=C1F	REAL250004571977	0	28	-1.0	-34.31	276.11	3.49	-30.82
CC1=CC(C2=NOC(CSC3=N[N-]N=N3)=N2)=CC=C1F	REAL250004571977	1	28	-1.0	-34.64	276.53	3.48	-31.16
CC1=CC=CC=C1NC(=O)CCSC1=N[N-]N=N1	REAL250004571978	0	30	-1.0	-46.05	271.78	4.05	-42.00
CC1=CC=CC=C1NC(=O)CCSC1=NN=N[N-]1	REAL250004571978	1	30	-1.0	-46.13	271.37	4.06	-42.07
O=C(CCSC1=N[N-]N=N1)NCC1=CC=C(F)C=C1	REAL250004571979	0	30	-1.0	-44.35	286.45	3.39	-40.96
O=C(CCSC1=NN=N[N-]1)NCC1=CC=C(F)C=C1	REAL250004571979	1	30	-1.0	-44.30	286.04	3.40	-40.90
CC(CCSC1=CC=CC=C1)SC1=N[N-]N=N1	REAL250004571980	0	30	-1.0	-38.46	275.80	6.80	-31.66
CC(CCSC1=CC=CC=C1)SC1=NN=N[N-]1	REAL250004571980	1	30	-1.0	-38.06	274.85	6.80	-31.26
N#CC1=CC=CC(OCCCSC2=N[N-]N=N2)=C1	REAL250004571981	0	28	-1.0	-39.09	271.25	4.90	-34.19
N#CC1=CC=CC(OCCCSC2=NN=N[N-]2)=C1	REAL250004571981	1	28	-1.0	-38.63	270.84	4.91	-33.72
COC(=O)C1=C(CSC2=NN=N[N-]2)C=CS1	REAL250004571982	0	23	-1.0	-45.61	239.99	3.74	-41.87
COC(=O)C1=C(CSC2=N[N-]N=N2)C=CS1	REAL250004571982	1	23	-1.0	-45.82	240.40	3.73	-42.09
CC(SC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL250004571983	0	23	-1.0	-37.20	234.89	5.38	-31.82
CC(SC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL250004571983	1	23	-1.0	-36.91	233.93	5.39	-31.52
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)S1	REAL250004571984	0	23	-1.0	-37.58	245.32	3.99	-33.59
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)S1	REAL250004571984	1	23	-1.0	-37.29	244.91	3.99	-33.30
O=[N+]([O-])C1=CC(CSC2=N[N-]N=N2)=CC=C1Cl	REAL250004571985	0	22	-1.0	-38.60	239.61	5.19	-33.41
O=[N+]([O-])C1=CC(CSC2=NN=N[N-]2)=CC=C1Cl	REAL250004571985	1	22	-1.0	-38.19	239.20	5.20	-32.99
O=C1C2=CC=CC=C2N=CN1CCSC1=NN=N[N-]1	REAL250004571986	0	28	-1.0	-45.90	265.31	5.10	-40.80
O=C1C2=CC=CC=C2N=CN1CCSC1=N[N-]N=N1	REAL250004571986	1	28	-1.0	-46.00	265.73	5.10	-40.90
FC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)C=C1F	REAL250004571987	0	25	-1.0	-34.06	262.12	2.91	-31.15
FC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)C=C1F	REAL250004571987	1	25	-1.0	-34.49	262.53	2.91	-31.58
C1=CSC(C2=NNC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004571988	0	23	-1.0	-38.31	245.34	3.03	-35.28
C1=CSC(C2=NNC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004571988	1	23	-1.0	-38.63	245.75	3.02	-35.61
CC(C)(C#N)C1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004571989	0	30	-1.0	-46.33	261.52	5.42	-40.91
CC(C)(C#N)C1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004571989	1	30	-1.0	-46.28	261.93	5.41	-40.87
CC(SC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL250004571990	0	23	-1.0	-37.20	234.89	5.38	-31.82
CC(SC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL250004571990	1	23	-1.0	-36.91	233.93	5.39	-31.52
COC(=O)C1=CC(CSC2=N[N-]N=N2)=C(C)S1	REAL250004571991	0	26	-1.0	-40.59	264.96	4.57	-36.02
COC(=O)C1=CC(CSC2=NN=N[N-]2)=C(C)S1	REAL250004571991	1	26	-1.0	-40.33	264.55	4.57	-35.76
N#CC1=CC=CC(NC(=O)CCSC2=N[N-]N=N2)=C1	REAL250004571992	0	28	-1.0	-51.48	275.09	3.58	-47.90
N#CC1=CC=CC(NC(=O)CCSC2=NN=N[N-]2)=C1	REAL250004571992	1	28	-1.0	-51.55	274.68	3.60	-47.95
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1F	REAL250004571993	0	26	-1.0	-39.95	258.30	4.83	-35.12
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1F	REAL250004571993	1	26	-1.0	-39.63	257.89	4.84	-34.79
CC(C)S(=O)(=O)CCCSC1=N[N-]N=N1	REAL250004571994	0	28	-1.0	-44.71	262.69	0.93	-43.78
CC(C)S(=O)(=O)CCCSC1=NN=N[N-]1	REAL250004571994	1	28	-1.0	-44.25	262.28	0.94	-43.31
CCSC(C)C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004571995	0	28	-1.0	-36.21	274.72	2.13	-34.08
CCSC(C)C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004571995	1	28	-1.0	-35.88	274.31	2.14	-33.74
COC(=O)C1=C(C)C=C(C(C)SC2=N[N-]N=N2)O1	REAL250004571996	0	29	-1.0	-38.16	271.46	4.37	-33.79
COC(=O)C1=C(C)C=C(C(C)SC2=NN=N[N-]2)O1	REAL250004571996	1	29	-1.0	-37.75	270.51	4.37	-33.38
CC1=CC=C(F)C=C1NC(=O)CCSC1=N[N-]N=N1	REAL250004571997	0	30	-1.0	-48.74	279.15	4.16	-44.58
CC1=CC=C(F)C=C1NC(=O)CCSC1=NN=N[N-]1	REAL250004571997	1	30	-1.0	-48.81	278.74	4.17	-44.64
O=C(CCSC1=N[N-]N=N1)NC1=CC(F)=CC(F)=C1	REAL250004571998	0	27	-1.0	-45.37	267.05	3.33	-42.04
O=C(CCSC1=NN=N[N-]1)NC1=CC(F)=CC(F)=C1	REAL250004571998	1	27	-1.0	-45.44	266.63	3.34	-42.10
CC1=C(F)C=CC=C1NC(=O)CCSC1=N[N-]N=N1	REAL250004571999	0	30	-1.0	-44.10	277.06	4.08	-40.02
CC1=C(F)C=CC=C1NC(=O)CCSC1=NN=N[N-]1	REAL250004571999	1	30	-1.0	-44.10	276.65	4.10	-40.00
CN1N=CC(CSC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004572000	0	23	-1.0	-38.44	232.31	2.53	-35.91
CN1N=CC(CSC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004572000	1	23	-1.0	-38.74	232.73	2.53	-36.21
COC1=CC=CC=C1N1CCC(SC2=NN=N[N-]2)C1=O	REAL250004572001	0	32	-1.0	-55.19	286.86	4.18	-51.01
COC1=CC=CC=C1N1CCC(SC2=N[N-]N=N2)C1=O	REAL250004572001	1	32	-1.0	-55.35	287.93	4.18	-51.17
FC1=CC=C2CCCC(SC3=NN=N[N-]3)C2=C1	REAL250004572002	0	27	-1.0	-40.42	239.51	5.83	-34.59
FC1=CC=C2CCCC(SC3=N[N-]N=N3)C2=C1	REAL250004572002	1	27	-1.0	-40.70	240.54	5.81	-34.89
CS(=O)(=O)CC1(CSC2=N[N-]N=N2)CCOCC1	REAL250004572003	0	33	-1.0	-53.38	273.94	-0.05	-53.43
CS(=O)(=O)CC1(CSC2=NN=N[N-]2)CCOCC1	REAL250004572003	1	33	-1.0	-53.10	273.53	-0.04	-53.14
COC1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572004	0	24	-1.0	-38.10	244.06	3.99	-34.11
COC1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572004	1	24	-1.0	-38.42	244.48	3.99	-34.43
CS(=O)(=O)CC1(CSC2=N[N-]N=N2)CCC1	REAL250004572005	0	29	-1.0	-51.30	260.53	1.24	-50.06
CS(=O)(=O)CC1(CSC2=NN=N[N-]2)CCC1	REAL250004572005	1	29	-1.0	-51.30	260.09	1.24	-50.06
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1C#N	REAL250004572006	0	27	-1.0	-51.24	268.43	4.78	-46.46
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1C#N	REAL250004572006	1	27	-1.0	-51.54	268.84	4.78	-46.76
FC1=CC=C(OCCSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572007	0	24	-1.0	-37.73	251.35	4.35	-33.38
FC1=CC=C(OCCSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572007	1	24	-1.0	-37.64	250.94	4.36	-33.28
CC(C)(C)OC1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572008	0	32	-1.0	-39.33	280.14	4.30	-35.03
CC(C)(C)OC1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572008	1	32	-1.0	-39.13	279.73	4.30	-34.83
CC1=C(Br)C=CC=C1CSC1=N[N-]N=N1	REAL250004572009	0	23	-1.0	-37.02	234.03	5.20	-31.82
CC1=C(Br)C=CC=C1CSC1=NN=N[N-]1	REAL250004572009	1	23	-1.0	-36.78	233.62	5.20	-31.58
COCCC(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572010	0	30	-1.0	-40.53	266.95	4.39	-36.14
COCCC(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572010	1	30	-1.0	-40.68	267.21	4.45	-36.23
COC1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572011	0	24	-1.0	-38.10	244.06	3.99	-34.11
COC1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572011	1	24	-1.0	-38.42	244.48	3.99	-34.43
CCS(=O)(=O)NCCCSC1=N[N-]N=N1	REAL250004572012	0	27	-1.0	-44.31	260.54	-1.05	-45.36
CCS(=O)(=O)NCCCSC1=NN=N[N-]1	REAL250004572012	1	27	-1.0	-43.96	260.13	-1.04	-45.00
CN(C)S(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572013	0	31	-1.0	-41.83	294.43	2.15	-39.68
CN(C)S(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572013	1	31	-1.0	-41.43	294.02	2.15	-39.28
CC1=C(Br)C=CC=C1CSC1=N[N-]N=N1	REAL250004572014	0	23	-1.0	-37.02	234.03	5.20	-31.82
CC1=C(Br)C=CC=C1CSC1=NN=N[N-]1	REAL250004572014	1	23	-1.0	-36.78	233.62	5.20	-31.58
CCC(CC)N1C=CC(CSC2=N[N-]N=N2)=N1	REAL250004572015	0	32	-1.0	-42.32	279.15	4.54	-37.78
CCC(CC)N1C=CC(CSC2=NN=N[N-]2)=N1	REAL250004572015	1	32	-1.0	-42.13	278.74	4.54	-37.59
FC(F)(F)OC1=CC=CC(CCSC2=N[N-]N=N2)=C1	REAL250004572016	0	27	-1.0	-37.63	266.44	4.72	-32.91
FC(F)(F)OC1=CC=CC(CCSC2=NN=N[N-]2)=C1	REAL250004572016	1	27	-1.0	-37.44	266.03	4.73	-32.71
ClC1=CC=CC(C#CCSC2=N[N-]N=N2)=C1	REAL250004572017	0	22	-1.0	-37.02	243.34	6.14	-30.88
ClC1=CC=CC(C#CCSC2=NN=N[N-]2)=C1	REAL250004572017	1	22	-1.0	-36.80	242.93	6.14	-30.66
CCCCCCCCCCCCSC1=N[N-]N=N1	REAL250004572018	0	43	-1.0	-36.42	354.01	8.93	-27.49
CCCCCCCCCCCCSC1=NN=N[N-]1	REAL250004572018	1	43	-1.0	-36.08	353.60	8.94	-27.14
C(SC1=N[N-]N=N1)C1=NOC(C2CCCCC2)=N1	REAL250004572019	0	31	-1.0	-37.92	274.44	2.84	-35.08
C(SC1=NN=N[N-]1)C1=NOC(C2CCCCC2)=N1	REAL250004572019	1	31	-1.0	-37.73	274.03	2.84	-34.89
CC(C)(C)OC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572020	0	35	-1.0	-38.32	308.64	6.86	-31.46
CC(C)(C)OC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572020	1	35	-1.0	-38.02	308.22	6.86	-31.16
C1=C(C2=CC=CC=C2)SC(CSC2=NN=N[N-]2)=N1	REAL250004572021	0	26	-1.0	-38.99	261.32	4.95	-34.04
C1=C(C2=CC=CC=C2)SC(CSC2=N[N-]N=N2)=N1	REAL250004572021	1	26	-1.0	-39.23	261.73	4.94	-34.29
CC(C)OC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572022	0	32	-1.0	-38.64	295.85	6.44	-32.20
CC(C)OC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572022	1	32	-1.0	-38.35	295.44	6.44	-31.91
COC(=O)CN1C=C(CCSC2=N[N-]N=N2)N=N1	REAL250004572023	0	28	-1.0	-54.33	271.97	2.38	-51.95
COC(=O)CN1C=C(CCSC2=NN=N[N-]2)N=N1	REAL250004572023	1	28	-1.0	-54.33	271.56	2.39	-51.94
ClC1=CC=CC2=C1CCC2SC1=NN=N[N-]1	REAL250004572024	0	24	-1.0	-36.93	236.06	5.74	-31.19
ClC1=CC=CC2=C1CCC2SC1=N[N-]N=N1	REAL250004572024	1	24	-1.0	-38.60	229.62	5.63	-32.97
FC1=CC=CC(F)=C1C1=NC(CSC2=NN=N[N-]2)=CO1	REAL250004572025	0	26	-1.0	-46.42	264.20	2.94	-43.48
FC1=CC=CC(F)=C1C1=NC(CSC2=N[N-]N=N2)=CO1	REAL250004572025	1	26	-1.0	-46.67	264.61	2.94	-43.73
COC(=O)CC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572026	0	29	-1.0	-42.32	270.16	5.42	-36.90
COC(=O)CC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572026	1	29	-1.0	-42.39	270.58	5.42	-36.97
COC1=NC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572027	0	23	-1.0	-36.02	241.65	1.39	-34.63
COC1=NC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572027	1	23	-1.0	-36.39	242.06	1.39	-35.00
C(SC1=N[N-]N=N1)C1=NC(C2CCCC2)=NO1	REAL250004572028	0	28	-1.0	-35.00	256.11	2.10	-32.90
C(SC1=NN=N[N-]1)C1=NC(C2CCCC2)=NO1	REAL250004572028	1	28	-1.0	-34.67	255.70	2.11	-32.56
CC(C)(CSC1=N[N-]N=N1)CS(C)(=O)=O	REAL250004572029	0	28	-1.0	-44.78	248.15	0.71	-44.07
CC(C)(CSC1=NN=N[N-]1)CS(C)(=O)=O	REAL250004572029	1	28	-1.0	-44.40	247.74	0.73	-43.67
CC(SC1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL250004572030	0	23	-1.0	-37.32	242.60	5.68	-31.64
CC(SC1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL250004572030	1	23	-1.0	-37.60	243.55	5.68	-31.92
FC(F)(F)C1=CSC(CSC2=N[N-]N=N2)=N1	REAL250004572031	0	19	-1.0	-38.19	224.67	2.30	-35.89
FC(F)(F)C1=CSC(CSC2=NN=N[N-]2)=N1	REAL250004572031	1	19	-1.0	-37.90	224.26	2.31	-35.59
O=C1C=CC([N+](=O)[O-])=CN1CCSC1=N[N-]N=N1	REAL250004572032	0	25	-1.0	-42.59	252.46	3.85	-38.74
O=C1C=CC([N+](=O)[O-])=CN1CCSC1=NN=N[N-]1	REAL250004572032	1	25	-1.0	-42.38	252.05	3.86	-38.52
FC1=CC=CC(F)=C1N1C=CC(CSC2=NN=N[N-]2)=N1	REAL250004572033	0	27	-1.0	-46.33	265.19	5.36	-40.97
FC1=CC=CC(F)=C1N1C=CC(CSC2=N[N-]N=N2)=N1	REAL250004572033	1	27	-1.0	-46.48	265.60	5.36	-41.12
COC1=CC=CC(OCCSC2=N[N-]N=N2)=C1	REAL250004572034	0	28	-1.0	-39.89	258.40	3.02	-36.87
COC1=CC=CC(OCCSC2=NN=N[N-]2)=C1	REAL250004572034	1	28	-1.0	-39.85	257.99	3.03	-36.82
CN(CC1=CC=CC=C1)C(=O)CSC1=N[N-]N=N1	REAL250004572035	0	30	-1.0	-41.60	275.58	4.66	-36.94
CN(CC1=CC=CC=C1)C(=O)CSC1=NN=N[N-]1	REAL250004572035	1	30	-1.0	-41.07	275.17	4.67	-36.40
C(SC1=N[N-]N=N1)C1=NN=C(C2CC2)N1C1CC1	REAL250004572036	0	30	-1.0	-42.79	276.29	5.92	-36.87
C(SC1=NN=N[N-]1)C1=NN=C(C2CC2)N1C1CC1	REAL250004572036	1	30	-1.0	-42.55	275.88	5.92	-36.63
COC1=CC=CC=C1CCCSC1=N[N-]N=N1	REAL250004572037	0	30	-1.0	-39.54	270.25	5.06	-34.48
COC1=CC=CC=C1CCCSC1=NN=N[N-]1	REAL250004572037	1	30	-1.0	-39.35	269.84	5.07	-34.28
CC(C)(C)C(=O)N1CCC(CSC2=N[N-]N=N2)CC1	REAL250004572038	0	39	-1.0	-41.59	306.24	4.63	-36.96
CC(C)(C)C(=O)N1CCC(CSC2=NN=N[N-]2)CC1	REAL250004572038	1	39	-1.0	-41.49	305.83	4.64	-36.85
NC(=O)C(CC1=CC=C(F)C=C1)SC1=NN=N[N-]1	REAL250004572039	0	27	-1.0	-46.94	255.97	1.66	-45.28
NC(=O)C(CC1=CC=C(F)C=C1)SC1=N[N-]N=N1	REAL250004572039	1	27	-1.0	-47.02	257.37	1.61	-45.41
CNC(=O)C(CC1=CC=CC=C1)SC1=NN=N[N-]1	REAL250004572040	0	30	-1.0	-47.81	271.49	3.11	-44.70
CNC(=O)C(CC1=CC=CC=C1)SC1=N[N-]N=N1	REAL250004572040	1	30	-1.0	-47.85	272.89	3.06	-44.79
ClC1=CC=C(Cl)C(CSC2=N[N-]N=N2)=N1	REAL250004572041	0	19	-1.0	-40.00	224.90	3.14	-36.86
ClC1=CC=C(Cl)C(CSC2=NN=N[N-]2)=N1	REAL250004572041	1	19	-1.0	-39.77	224.49	3.16	-36.61
O=[N+]([O-])C1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572042	0	22	-1.0	-36.53	241.21	5.25	-31.28
O=[N+]([O-])C1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572042	1	22	-1.0	-36.18	240.80	5.26	-30.92
COC(=O)C(CC1=CC=C(F)C=C1)SC1=NN=N[N-]1	REAL250004572043	0	29	-1.0	-43.16	275.46	5.68	-37.48
COC(=O)C(CC1=CC=C(F)C=C1)SC1=N[N-]N=N1	REAL250004572043	1	29	-1.0	-43.32	276.85	5.62	-37.70
BrC1=CC=CC=C1CCCSC1=N[N-]N=N1	REAL250004572044	0	26	-1.0	-38.51	258.14	6.15	-32.36
BrC1=CC=CC=C1CCCSC1=NN=N[N-]1	REAL250004572044	1	26	-1.0	-38.23	257.73	6.16	-32.07
O=C(CC1=CC=CC=C1)OCCSC1=N[N-]N=N1	REAL250004572045	0	29	-1.0	-39.16	276.36	5.85	-33.31
O=C(CC1=CC=CC=C1)OCCSC1=NN=N[N-]1	REAL250004572045	1	29	-1.0	-38.95	275.95	5.87	-33.08
N#CC1=CC=C(CSC2=N[N-]N=N2)C(Br)=C1	REAL250004572046	0	21	-1.0	-38.24	237.85	5.05	-33.19
N#CC1=CC=C(CSC2=NN=N[N-]2)C(Br)=C1	REAL250004572046	1	21	-1.0	-37.95	237.43	5.05	-32.90
CC1=CC(Br)=CC=C1CSC1=N[N-]N=N1	REAL250004572047	0	23	-1.0	-36.00	237.31	5.29	-30.71
CC1=CC(Br)=CC=C1CSC1=NN=N[N-]1	REAL250004572047	1	23	-1.0	-35.71	236.89	5.29	-30.42
C1=NC(CSC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004572048	0	26	-1.0	-44.69	252.41	5.71	-38.98
C1=NC(CSC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004572048	1	26	-1.0	-44.88	252.82	5.71	-39.17
CC1=CC=C([N+](=O)[O-])C=C1C(C)SC1=NN=N[N-]1	REAL250004572049	0	28	-1.0	-41.44	255.71	5.90	-35.54
CC1=CC=C([N+](=O)[O-])C=C1C(C)SC1=N[N-]N=N1	REAL250004572049	1	28	-1.0	-42.02	256.66	5.88	-36.14
FC(F)(F)OC1=CC=C(CCSC2=N[N-]N=N2)C=C1	REAL250004572050	0	27	-1.0	-37.30	266.44	4.72	-32.58
FC(F)(F)OC1=CC=C(CCSC2=NN=N[N-]2)C=C1	REAL250004572050	1	27	-1.0	-37.08	266.03	4.73	-32.35
CC1=CC=C(S(=O)(=O)CCCSC2=N[N-]N=N2)C=C1	REAL250004572051	0	32	-1.0	-44.03	302.63	3.38	-40.65
CC1=CC=C(S(=O)(=O)CCCSC2=NN=N[N-]2)C=C1	REAL250004572051	1	32	-1.0	-43.66	302.22	3.39	-40.27
COC(=O)C1=C(C)OC(CSC2=N[N-]N=N2)C1	REAL250004572052	0	28	-1.0	-39.29	259.76	3.22	-36.07
COC(=O)C1=C(C)OC(CSC2=NN=N[N-]2)C1	REAL250004572052	1	28	-1.0	-39.03	259.34	3.24	-35.79
CC1=CC=CC(Cl)=C1NC(=O)CSC1=N[N-]N=N1	REAL250004572053	0	27	-1.0	-41.54	272.11	4.01	-37.53
CC1=CC=CC(Cl)=C1NC(=O)CSC1=NN=N[N-]1	REAL250004572053	1	27	-1.0	-41.17	271.70	4.02	-37.15
CC(C)(C)OC(=O)N1CCC(SC2=N[N-]N=N2)CC1	REAL250004572054	0	37	-1.0	-38.36	300.44	4.45	-33.91
CC(C)(C)OC(=O)N1CCC(SC2=NN=N[N-]2)CC1	REAL250004572054	1	37	-1.0	-37.98	299.50	4.46	-33.52
C1=CN=C2SC(CSC3=NN=N[N-]3)=NC2=C1	REAL250004572055	0	21	-1.0	-40.87	225.54	1.73	-39.14
C1=CN=C2SC(CSC3=N[N-]N=N3)=NC2=C1	REAL250004572055	1	21	-1.0	-41.13	225.95	1.72	-39.41
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C(F)=C1	REAL250004572056	0	26	-1.0	-40.48	259.04	4.84	-35.64
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C(F)=C1	REAL250004572056	1	26	-1.0	-40.19	258.63	4.84	-35.35
O=C1C(SC2=N[N-]N=N2)CCCN1CC1=CC=CC=C1	REAL250004572057	0	34	-1.0	-56.06	290.71	5.83	-50.23
O=C1C(SC2=NN=N[N-]2)CCCN1CC1=CC=CC=C1	REAL250004572057	1	34	-1.0	-55.88	289.83	5.83	-50.05
C1=CC=C(OC2=CC=C(CSC3=N[N-]N=N3)N=N2)C=C1	REAL250004572058	0	29	-1.0	-41.83	280.69	3.07	-38.76
C1=CC=C(OC2=CC=C(CSC3=NN=N[N-]3)N=N2)C=C1	REAL250004572058	1	29	-1.0	-41.55	280.28	3.08	-38.47
ClC1=CN=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572059	0	19	-1.0	-37.37	224.79	3.22	-34.15
ClC1=CN=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572059	1	19	-1.0	-37.17	224.38	3.23	-33.94
COC1=CC=C2N=C(CSC3=NN=N[N-]3)NC2=N1	REAL250004572060	0	26	-1.0	-38.91	251.78	0.57	-38.34
COC1=CC=C2N=C(CSC3=N[N-]N=N3)NC2=N1	REAL250004572060	1	26	-1.0	-39.20	252.20	0.56	-38.64
NS(=O)(=O)C1=CC=C(CCSC2=N[N-]N=N2)C=C1	REAL250004572061	0	28	-1.0	-44.80	274.67	-0.12	-44.92
NS(=O)(=O)C1=CC=C(CCSC2=NN=N[N-]2)C=C1	REAL250004572061	1	28	-1.0	-44.69	274.26	-0.11	-44.80
CC(SC1=NN=N[N-]1)C(=O)C1=CN=C2NC=CC=C12	REAL250004572062	0	28	-1.0	-52.57	256.59	3.84	-48.73
CC(SC1=N[N-]N=N1)C(=O)C1=CN=C2NC=CC=C12	REAL250004572062	1	28	-1.0	-53.07	257.53	3.83	-49.24
O=C1C(SC2=N[N-]N=N2)CCCN1C1=CC=CC=C1F	REAL250004572063	0	31	-1.0	-54.62	278.59	5.49	-49.13
O=C1C(SC2=NN=N[N-]2)CCCN1C1=CC=CC=C1F	REAL250004572063	1	31	-1.0	-54.49	277.71	5.50	-48.99
C1=CC=C(CSCCCSC2=N[N-]N=N2)C=C1	REAL250004572064	0	30	-1.0	-37.74	286.63	7.05	-30.69
C1=CC=C(CSCCCSC2=NN=N[N-]2)C=C1	REAL250004572064	1	30	-1.0	-37.52	286.22	7.07	-30.45
CC1=CC=CC(S(=O)(=O)CCCSC2=N[N-]N=N2)=C1	REAL250004572065	0	32	-1.0	-43.98	302.63	3.37	-40.61
CC1=CC=CC(S(=O)(=O)CCCSC2=NN=N[N-]2)=C1	REAL250004572065	1	32	-1.0	-43.61	302.22	3.38	-40.23
CC1=C(C2=NOC(CSC3=NN=N[N-]3)=C2)C=NN1C	REAL250004572066	0	29	-1.0	-39.69	274.88	3.75	-35.94
CC1=C(C2=NOC(CSC3=N[N-]N=N3)=C2)C=NN1C	REAL250004572066	1	29	-1.0	-40.10	275.29	3.75	-36.35
CC(C)(C)C1CCC(CSC2=N[N-]N=N2)CC1	REAL250004572067	0	38	-1.0	-36.76	289.74	6.36	-30.40
CC(C)(C)C1CCC(CSC2=NN=N[N-]2)CC1	REAL250004572067	1	38	-1.0	-36.55	289.33	6.37	-30.18
COC1=CC(CSC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004572068	0	26	-1.0	-41.18	257.70	4.06	-37.12
COC1=CC(CSC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004572068	1	26	-1.0	-41.47	258.11	4.06	-37.41
NC(=O)C(CC1=CC=C(Cl)C=C1)SC1=NN=N[N-]1	REAL250004572069	0	27	-1.0	-46.39	266.30	2.11	-44.28
NC(=O)C(CC1=CC=C(Cl)C=C1)SC1=N[N-]N=N1	REAL250004572069	1	27	-1.0	-46.53	267.69	2.07	-44.46
C1=CC=C(C2=NN=C(CSC3=NN=N[N-]3)S2)C=C1	REAL250004572070	0	25	-1.0	-39.84	258.30	3.96	-35.88
C1=CC=C(C2=NN=C(CSC3=N[N-]N=N3)S2)C=C1	REAL250004572070	1	25	-1.0	-40.04	258.71	3.95	-36.09
ClC1=CC=C(N2C=CC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004572071	0	27	-1.0	-41.77	274.15	5.75	-36.02
ClC1=CC=C(N2C=CC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004572071	1	27	-1.0	-42.01	274.56	5.75	-36.26
O=S(=O)(CCCSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572072	0	29	-1.0	-44.11	281.19	2.70	-41.41
O=S(=O)(CCCSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572072	1	29	-1.0	-43.68	280.78	2.71	-40.97
CCC(SC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004572073	0	26	-1.0	-36.00	245.66	5.38	-30.62
CCC(SC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004572073	1	26	-1.0	-36.18	246.78	5.42	-30.76
CC(C)(C)CN1CCCC(SC2=N[N-]N=N2)C1=O	REAL250004572074	0	36	-1.0	-52.96	281.63	4.65	-48.31
CC(C)(C)CN1CCCC(SC2=NN=N[N-]2)C1=O	REAL250004572074	1	36	-1.0	-52.62	280.75	4.67	-47.95
COC(=O)C(CC1=CC=C(Cl)C=C1)SC1=N[N-]N=N1	REAL250004572075	0	29	-1.0	-42.84	287.17	6.07	-36.77
COC(=O)C(CC1=CC=C(Cl)C=C1)SC1=NN=N[N-]1	REAL250004572075	1	29	-1.0	-42.72	285.78	6.13	-36.59
C1=CC=C(COCCCSC2=N[N-]N=N2)C=C1	REAL250004572076	0	30	-1.0	-38.11	275.96	4.98	-33.13
C1=CC=C(COCCCSC2=NN=N[N-]2)C=C1	REAL250004572076	1	30	-1.0	-37.79	275.55	4.99	-32.80
FC(F)C1=NN=C(CSC2=N[N-]N=N2)S1	REAL250004572077	0	18	-1.0	-36.65	213.27	1.17	-35.48
FC(F)C1=NN=C(CSC2=NN=N[N-]2)S1	REAL250004572077	1	18	-1.0	-36.36	212.86	1.18	-35.18
FC(F)(F)SC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572078	0	24	-1.0	-36.04	255.34	5.60	-30.44
FC(F)(F)SC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572078	1	24	-1.0	-35.77	254.93	5.60	-30.17
O=C1OC(CSC2=N[N-]N=N2)CN1C1=CC=CC=C1	REAL250004572079	0	29	-1.0	-46.01	266.98	4.30	-41.71
O=C1OC(CSC2=NN=N[N-]2)CN1C1=CC=CC=C1	REAL250004572079	1	29	-1.0	-45.49	266.56	4.31	-41.18
COC(=O)C1=CC=C(Cl)C(CSC2=N[N-]N=N2)=C1	REAL250004572080	0	26	-1.0	-41.87	267.77	5.23	-36.64
COC(=O)C1=CC=C(Cl)C(CSC2=NN=N[N-]2)=C1	REAL250004572080	1	26	-1.0	-41.61	267.36	5.23	-36.38
ClC1=CC=C(Cl)C(CSC2=N[N-]N=N2)=C1	REAL250004572081	0	20	-1.0	-37.57	229.73	5.08	-32.49
ClC1=CC=C(Cl)C(CSC2=NN=N[N-]2)=C1	REAL250004572081	1	20	-1.0	-37.33	229.32	5.09	-32.24
CC1=NC(C(F)(F)F)=C(CSC2=N[N-]N=N2)S1	REAL250004572082	0	22	-1.0	-39.30	241.40	2.98	-36.32
CC1=NC(C(F)(F)F)=C(CSC2=NN=N[N-]2)S1	REAL250004572082	1	22	-1.0	-39.05	240.98	2.99	-36.06
ClC1=CC=CC=C1CCCSC1=N[N-]N=N1	REAL250004572083	0	26	-1.0	-38.53	254.61	6.07	-32.46
ClC1=CC=CC=C1CCCSC1=NN=N[N-]1	REAL250004572083	1	26	-1.0	-38.31	254.19	6.09	-32.22
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004572084	0	26	-1.0	-47.14	252.79	4.84	-42.30
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004572084	1	26	-1.0	-46.99	254.18	4.82	-42.17
O=[N+]([O-])C1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572085	0	22	-1.0	-36.53	241.21	5.25	-31.28
O=[N+]([O-])C1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572085	1	22	-1.0	-36.18	240.80	5.26	-30.92
CC(=O)C1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=C1	REAL250004572086	0	29	-1.0	-50.83	275.07	2.89	-47.94
CC(=O)C1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=C1	REAL250004572086	1	29	-1.0	-50.28	274.66	2.90	-47.38
CN1N=C(C(F)(F)F)C(CSC2=NN=N[N-]2)=C1Cl	REAL250004572087	0	23	-1.0	-38.77	253.26	3.09	-35.68
CN1N=C(C(F)(F)F)C(CSC2=N[N-]N=N2)=C1Cl	REAL250004572087	1	23	-1.0	-39.01	253.67	3.08	-35.93
COCCCOC1(CSC2=N[N-]N=N2)CCCC1	REAL250004572088	0	37	-1.0	-39.11	306.24	3.40	-35.71
COCCCOC1(CSC2=NN=N[N-]2)CCCC1	REAL250004572088	1	37	-1.0	-38.80	305.82	3.40	-35.40
CC(C)(C)OC(=O)CCCCSC1=N[N-]N=N1	REAL250004572089	0	34	-1.0	-41.26	292.40	5.52	-35.74
CC(C)(C)OC(=O)CCCCSC1=NN=N[N-]1	REAL250004572089	1	34	-1.0	-41.18	291.99	5.53	-35.65
CC(C)(C)OC(=O)CNC(=O)CSC1=N[N-]N=N1	REAL250004572090	0	32	-1.0	-39.46	286.70	1.65	-37.81
CC(C)(C)OC(=O)CNC(=O)CSC1=NN=N[N-]1	REAL250004572090	1	32	-1.0	-39.09	286.29	1.67	-37.42
CCN(CCCSC1=N[N-]N=N1)CC(F)(F)F	REAL250004572091	0	30	-1.0	-37.15	265.02	2.59	-34.56
CCN(CCCSC1=NN=N[N-]1)CC(F)(F)F	REAL250004572091	1	30	-1.0	-36.80	264.61	2.60	-34.20
COC(=O)C1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004572092	0	30	-1.0	-46.34	281.56	5.13	-41.21
COC(=O)C1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004572092	1	30	-1.0	-46.51	281.14	5.14	-41.37
ClC1=CC=C2CCC(SC3=NN=N[N-]3)C2=C1	REAL250004572093	0	24	-1.0	-37.98	236.47	5.75	-32.23
ClC1=CC=C2CCC(SC3=N[N-]N=N3)C2=C1	REAL250004572093	1	24	-1.0	-44.00	230.02	5.65	-38.35
BrC1=CN=CC(CSC2=NN=N[N-]2)=C1	REAL250004572094	0	19	-1.0	-35.30	214.70	2.97	-32.33
BrC1=CN=CC(CSC2=N[N-]N=N2)=C1	REAL250004572094	1	19	-1.0	-35.64	215.11	2.96	-32.68
CC(=O)C1=CC=C(NC(=O)CSC2=N[N-]N=N2)C=C1	REAL250004572095	0	29	-1.0	-41.64	274.86	2.89	-38.75
CC(=O)C1=CC=C(NC(=O)CSC2=NN=N[N-]2)C=C1	REAL250004572095	1	29	-1.0	-41.17	274.45	2.91	-38.26
CC1=CC(N2C=CN=C2)=CC=C1CSC1=N[N-]N=N1	REAL250004572096	0	30	-1.0	-40.08	271.89	7.06	-33.02
CC1=CC(N2C=CN=C2)=CC=C1CSC1=NN=N[N-]1	REAL250004572096	1	30	-1.0	-39.75	271.48	7.06	-32.69
O=C1NC2=CC=CC=C2CCC1SC1=NN=N[N-]1	REAL250004572097	0	28	-1.0	-48.64	244.37	3.52	-45.12
O=C1NC2=CC=CC=C2CCC1SC1=N[N-]N=N1	REAL250004572097	1	28	-1.0	-48.84	245.20	3.52	-45.32
N#CC1=CC=C(Br)C(CSC2=N[N-]N=N2)=C1	REAL250004572098	0	21	-1.0	-39.46	237.86	5.05	-34.41
N#CC1=CC=C(Br)C(CSC2=NN=N[N-]2)=C1	REAL250004572098	1	21	-1.0	-39.15	237.44	5.05	-34.10
FC(F)(F)CN1N=NN=C1CSC1=N[N-]N=N1	REAL250004572099	0	21	-1.0	-38.96	222.60	1.14	-37.82
FC(F)(F)CN1N=NN=C1CSC1=NN=N[N-]1	REAL250004572099	1	21	-1.0	-38.43	222.19	1.15	-37.28
CC(SC1=N[N-]N=N1)C1=NN=NN1C1CCCCC1	REAL250004572100	0	34	-1.0	-36.36	288.40	4.10	-32.26
CC(SC1=NN=N[N-]1)C1=NN=NN1C1CCCCC1	REAL250004572100	1	34	-1.0	-35.84	287.45	4.10	-31.74
O=C(CCCSC1=N[N-]N=N1)N1CCCCC1	REAL250004572101	0	33	-1.0	-41.59	279.35	4.24	-37.35
O=C(CCCSC1=NN=N[N-]1)N1CCCCC1	REAL250004572101	1	33	-1.0	-41.13	278.94	4.25	-36.88
CCOC(=O)C1=CN=CN=C1CSC1=N[N-]N=N1	REAL250004572102	0	27	-1.0	-43.41	259.00	3.51	-39.90
CCOC(=O)C1=CN=CN=C1CSC1=NN=N[N-]1	REAL250004572102	1	27	-1.0	-43.30	258.59	3.52	-39.78
BrC1=NOC(CSC2=N[N-]N=N2)=C1	REAL250004572103	0	16	-1.0	-34.31	195.64	2.19	-32.12
BrC1=NOC(CSC2=NN=N[N-]2)=C1	REAL250004572103	1	16	-1.0	-33.97	195.23	2.19	-31.78
CC(C)(C)OC(=O)N1CC(SC2=N[N-]N=N2)C1	REAL250004572104	0	31	-1.0	-38.21	273.36	2.69	-35.52
CC(C)(C)OC(=O)N1CC(SC2=NN=N[N-]2)C1	REAL250004572104	1	31	-1.0	-38.06	272.61	2.71	-35.35
CC(SC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=N1	REAL250004572105	0	28	-1.0	-39.67	265.86	3.26	-36.41
CC(SC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL250004572105	1	28	-1.0	-39.93	266.81	3.25	-36.68
FC(F)C(F)(F)COCCSC1=N[N-]N=N1	REAL250004572106	0	23	-1.0	-41.84	238.72	2.63	-39.21
FC(F)C(F)(F)COCCSC1=NN=N[N-]1	REAL250004572106	1	23	-1.0	-41.81	238.31	2.63	-39.18
O=[N+]([O-])C1=CC=C(CSC2=N[N-]N=N2)C=C1F	REAL250004572107	0	22	-1.0	-37.34	231.68	4.84	-32.50
O=[N+]([O-])C1=CC=C(CSC2=NN=N[N-]2)C=C1F	REAL250004572107	1	22	-1.0	-36.89	231.27	4.84	-32.05
CC(CSC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004572108	0	33	-1.0	-38.46	285.53	1.98	-36.48
CC(CSC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004572108	1	33	-1.0	-38.00	285.12	1.99	-36.01
COC(=O)C1=CC=CC(NC(=O)CSC2=NN=N[N-]2)=N1	REAL250004572109	0	29	-1.0	-48.59	283.89	2.69	-45.90
COC(=O)C1=CC=CC(NC(=O)CSC2=N[N-]N=N2)=N1	REAL250004572109	1	29	-1.0	-49.18	284.30	2.68	-46.50
CC(SC1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL250004572110	0	29	-1.0	-44.40	274.30	2.28	-42.12
CC(SC1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL250004572110	1	29	-1.0	-44.12	273.34	2.30	-41.82
FC(F)(F)C(F)(F)COCCSC1=N[N-]N=N1	REAL250004572111	0	23	-1.0	-38.53	244.45	2.74	-35.79
FC(F)(F)C(F)(F)COCCSC1=NN=N[N-]1	REAL250004572111	1	23	-1.0	-38.39	244.04	2.74	-35.65
ClC1=CC=C(C=CCSC2=N[N-]N=N2)C=C1	REAL250004572112	0	24	-1.0	-37.11	246.71	5.95	-31.16
ClC1=CC=C(C=CCSC2=NN=N[N-]2)C=C1	REAL250004572112	1	24	-1.0	-36.81	246.30	5.96	-30.85
C1=CC=C(C2CCC(CSC3=N[N-]N=N3)CC2)C=C1	REAL250004572113	0	36	-1.0	-40.60	291.19	7.62	-32.98
C1=CC=C(C2CCC(CSC3=NN=N[N-]3)CC2)C=C1	REAL250004572113	1	36	-1.0	-40.43	290.76	7.64	-32.79
FC1=CC=CC=C1C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004572114	0	25	-1.0	-39.01	253.95	2.92	-36.09
FC1=CC=CC=C1C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004572114	1	25	-1.0	-39.29	254.36	2.92	-36.37
FC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=NO2)C(F)=C1	REAL250004572115	0	25	-1.0	-37.93	260.51	2.73	-35.20
FC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=NO2)C(F)=C1	REAL250004572115	1	25	-1.0	-38.15	260.92	2.73	-35.42
CC(SC1=N[N-]N=N1)C(=O)NC1(C#N)CCC1	REAL250004572117	0	28	-1.0	-45.20	260.90	1.69	-43.51
CC(SC1=NN=N[N-]1)C(=O)NC1(C#N)CCC1	REAL250004572117	1	28	-1.0	-44.61	259.95	1.69	-42.92
CC(C)(C)OC(=O)N1CCC(CSC2=N[N-]N=N2)CC1	REAL250004572118	0	40	-1.0	-40.44	323.68	5.05	-35.39
CC(C)(C)OC(=O)N1CCC(CSC2=NN=N[N-]2)CC1	REAL250004572118	1	40	-1.0	-40.18	323.27	5.06	-35.12
CC(C)(C)OC(=O)N1CCCC(CSC2=N[N-]N=N2)C1	REAL250004572119	0	40	-1.0	-42.86	323.97	5.05	-37.81
CC(C)(C)OC(=O)N1CCCC(CSC2=NN=N[N-]2)C1	REAL250004572119	1	40	-1.0	-42.41	323.55	5.05	-37.36
ClC1=CC=C(CSCSC2=N[N-]N=N2)C=C1	REAL250004572120	0	24	-1.0	-38.75	260.31	6.03	-32.72
ClC1=CC=C(CSCSC2=NN=N[N-]2)C=C1	REAL250004572120	1	24	-1.0	-38.47	259.26	6.05	-32.42
CS(=O)(=O)C1=NN=C(CSC2=N[N-]N=N2)S1	REAL250004572121	0	21	-1.0	-45.28	241.51	-2.44	-47.72
CS(=O)(=O)C1=NN=C(CSC2=NN=N[N-]2)S1	REAL250004572121	1	21	-1.0	-44.92	241.10	-2.43	-47.35
FC(F)(F)C1=NC(Cl)=CC=C1CSC1=NN=N[N-]1	REAL250004572122	0	22	-1.0	-39.19	241.83	3.61	-35.58
FC(F)(F)C1=NC(Cl)=CC=C1CSC1=N[N-]N=N1	REAL250004572122	1	22	-1.0	-39.50	242.25	3.60	-35.90
FC(F)(F)C1CCC(CSC2=N[N-]N=N2)CC1	REAL250004572123	0	29	-1.0	-37.05	258.33	5.29	-31.76
FC(F)(F)C1CCC(CSC2=NN=N[N-]2)CC1	REAL250004572123	1	29	-1.0	-36.72	257.92	5.30	-31.42
COC(=O)C1=CC=CC=C1CCSC1=N[N-]N=N1	REAL250004572124	0	29	-1.0	-44.26	266.96	5.34	-38.92
COC(=O)C1=CC=CC=C1CCSC1=NN=N[N-]1	REAL250004572124	1	29	-1.0	-44.07	266.54	5.36	-38.71
CN(C)S(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572125	0	31	-1.0	-41.83	294.43	2.15	-39.68
CN(C)S(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572125	1	31	-1.0	-41.43	294.02	2.15	-39.28
N#CC1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572126	0	21	-1.0	-38.07	233.40	4.97	-33.10
N#CC1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572126	1	21	-1.0	-38.39	233.82	4.97	-33.42
O=[N+]([O-])C1=CC=C2NC(CSC3=NN=N[N-]3)=NC2=C1	REAL250004572127	0	25	-1.0	-39.97	252.92	3.48	-36.49
O=[N+]([O-])C1=CC=C2NC(CSC3=N[N-]N=N3)=NC2=C1	REAL250004572127	1	25	-1.0	-40.30	253.33	3.47	-36.83
FC1=CC=CC=C1N1C=CC(CSC2=NN=N[N-]2)=N1	REAL250004572128	0	27	-1.0	-48.61	261.81	5.38	-43.23
FC1=CC=CC=C1N1C=CC(CSC2=N[N-]N=N2)=N1	REAL250004572128	1	27	-1.0	-48.77	262.23	5.38	-43.39
N#CC1=CC(Cl)=CC=C1CSC1=NN=N[N-]1	REAL250004572129	0	21	-1.0	-40.94	233.87	4.89	-36.05
N#CC1=CC(Cl)=CC=C1CSC1=N[N-]N=N1	REAL250004572129	1	21	-1.0	-41.17	234.28	4.89	-36.28
O=[N+]([O-])C1=CC=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572130	0	22	-1.0	-48.12	233.44	5.02	-43.10
O=[N+]([O-])C1=CC=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572130	1	22	-1.0	-48.33	233.85	5.01	-43.32
CC(C)(C)OC(=O)N1CC(CSC2=N[N-]N=N2)C1	REAL250004572131	0	34	-1.0	-39.78	294.45	3.51	-36.27
CC(C)(C)OC(=O)N1CC(CSC2=NN=N[N-]2)C1	REAL250004572131	1	34	-1.0	-39.43	294.04	3.53	-35.90
ClC1=CN=C(CSC2=N[N-]N=N2)C(Cl)=N1	REAL250004572132	0	18	-1.0	-36.40	219.79	1.22	-35.18
ClC1=CN=C(CSC2=NN=N[N-]2)C(Cl)=N1	REAL250004572132	1	18	-1.0	-36.13	219.38	1.23	-34.90
CC(C)(C)OC(=O)N1CCC(CSC2=N[N-]N=N2)C1	REAL250004572133	0	37	-1.0	-41.87	310.40	4.25	-37.62
CC(C)(C)OC(=O)N1CCC(CSC2=NN=N[N-]2)C1	REAL250004572133	1	37	-1.0	-41.43	309.98	4.25	-37.18
COC(=O)C1=CN(CCSC2=NN=N[N-]2)N=N1	REAL250004572134	0	25	-1.0	-44.10	252.77	1.35	-42.75
COC(=O)C1=CN(CCSC2=N[N-]N=N2)N=N1	REAL250004572134	1	25	-1.0	-44.14	253.18	1.35	-42.79
CC(C)OC1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572135	0	30	-1.0	-38.11	284.25	5.54	-32.57
CC(C)OC1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572135	1	30	-1.0	-37.77	283.84	5.54	-32.23
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004572136	0	29	-1.0	-44.19	264.10	5.34	-38.85
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004572136	1	29	-1.0	-44.23	265.49	5.32	-38.91
CC(CSC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572137	0	29	-1.0	-37.25	274.69	6.35	-30.90
CC(CSC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572137	1	29	-1.0	-37.07	274.28	6.36	-30.71
ClC1=CC=C(OCC2CC2)C(CSC2=N[N-]N=N2)=C1	REAL250004572138	0	31	-1.0	-41.15	297.37	6.53	-34.62
ClC1=CC=C(OCC2CC2)C(CSC2=NN=N[N-]2)=C1	REAL250004572138	1	31	-1.0	-40.94	296.96	6.54	-34.40
CC(C)(C)OC(=O)NCCCSC1=N[N-]N=N1	REAL250004572139	0	33	-1.0	-40.78	287.04	1.67	-39.11
CC(C)(C)OC(=O)NCCCSC1=NN=N[N-]1	REAL250004572139	1	33	-1.0	-40.55	286.63	1.69	-38.86
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572140	0	26	-1.0	-42.08	253.34	4.80	-37.28
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572140	1	26	-1.0	-42.33	253.75	4.80	-37.53
COC(CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004572141	0	27	-1.0	-38.34	262.71	4.21	-34.13
COC(CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004572141	1	27	-1.0	-38.17	262.30	4.21	-33.96
CC(C)(C)OC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572142	0	35	-1.0	-41.97	308.64	6.85	-35.12
CC(C)(C)OC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572142	1	35	-1.0	-41.71	308.23	6.85	-34.86
O=C(C1=CC=CC=C1)N1CCC(CSC2=N[N-]N=N2)C1	REAL250004572143	0	34	-1.0	-46.89	293.83	5.04	-41.85
O=C(C1=CC=CC=C1)N1CCC(CSC2=NN=N[N-]2)C1	REAL250004572143	1	34	-1.0	-46.39	293.41	5.04	-41.35
CC(SC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL250004572145	0	21	-1.0	-38.10	226.61	2.65	-35.45
CC(SC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL250004572145	1	21	-1.0	-37.83	225.65	2.65	-35.18
COC(=O)C(SC1=NN=N[N-]1)C1=CSC=C1	REAL250004572146	0	23	-1.0	-36.39	238.88	3.78	-32.61
COC(=O)C(SC1=N[N-]N=N1)C1=CSC=C1	REAL250004572146	1	23	-1.0	-36.79	240.43	3.76	-33.03
N#CC1(CCCSC2=N[N-]N=N2)CCOCC1	REAL250004572147	0	31	-1.0	-41.68	267.82	3.21	-38.47
N#CC1(CCCSC2=NN=N[N-]2)CCOCC1	REAL250004572147	1	31	-1.0	-41.23	267.41	3.23	-38.00
ClC1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572148	0	20	-1.0	-39.25	228.17	5.03	-34.22
ClC1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572148	1	20	-1.0	-39.00	227.76	5.04	-33.96
CN(CCCSC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004572149	0	36	-1.0	-41.83	306.68	4.27	-37.56
CN(CCCSC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004572149	1	36	-1.0	-41.52	306.27	4.28	-37.24
ClC1=CC=CC(CCSC2=N[N-]N=N2)=C1Cl	REAL250004572150	0	23	-1.0	-39.66	248.25	5.75	-33.91
ClC1=CC=CC(CCSC2=NN=N[N-]2)=C1Cl	REAL250004572150	1	23	-1.0	-39.44	247.83	5.76	-33.68
C1=NN=C(CSC2=NN=N[N-]2)N1C1=CC=CC=C1	REAL250004572151	0	26	-1.0	-41.36	249.99	6.36	-35.00
C1=NN=C(CSC2=N[N-]N=N2)N1C1=CC=CC=C1	REAL250004572151	1	26	-1.0	-41.51	250.41	6.35	-35.16
COC(=O)C1=CC=C(F)C(CSC2=NN=N[N-]2)=C1	REAL250004572152	0	26	-1.0	-42.29	258.63	4.82	-37.47
COC(=O)C1=CC=C(F)C(CSC2=N[N-]N=N2)=C1	REAL250004572152	1	26	-1.0	-42.52	259.04	4.82	-37.70
BrC1=CN=C(CSC2=N[N-]N=N2)S1	REAL250004572153	0	16	-1.0	-35.40	205.42	1.98	-33.42
BrC1=CN=C(CSC2=NN=N[N-]2)S1	REAL250004572153	1	16	-1.0	-35.12	205.01	1.99	-33.13
FC1=CC=CC(CC2=NOC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004572154	0	28	-1.0	-36.68	278.32	3.41	-33.27
FC1=CC=CC(CC2=NOC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004572154	1	28	-1.0	-36.44	277.91	3.42	-33.02
C1=CC=C(COC2=CN=CC(CSC3=NN=N[N-]3)=C2)C=C1	REAL250004572155	0	33	-1.0	-38.96	304.73	5.61	-33.35
C1=CC=C(COC2=CN=CC(CSC3=N[N-]N=N3)=C2)C=C1	REAL250004572155	1	33	-1.0	-39.24	305.14	5.60	-33.64
C1=C(C2CCCCC2)N=C(CSC2=N[N-]N=N2)S1	REAL250004572156	0	32	-1.0	-38.52	286.56	5.00	-33.52
C1=C(C2CCCCC2)N=C(CSC2=NN=N[N-]2)S1	REAL250004572156	1	32	-1.0	-38.26	286.15	5.01	-33.25
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572157	0	25	-1.0	-42.05	249.29	2.90	-39.15
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572157	1	25	-1.0	-42.33	249.70	2.90	-39.43
COC(=O)C1=CC=CN=C1CSC1=NN=N[N-]1	REAL250004572158	0	25	-1.0	-48.86	241.40	2.77	-46.09
COC(=O)C1=CC=CN=C1CSC1=N[N-]N=N1	REAL250004572158	1	25	-1.0	-48.97	241.82	2.76	-46.21
C1=CC(C2=CC=C(CSC3=NN=N[N-]3)C=C2)=CS1	REAL250004572159	0	27	-1.0	-38.22	264.10	6.57	-31.65
C1=CC(C2=CC=C(CSC3=N[N-]N=N3)C=C2)=CS1	REAL250004572159	1	27	-1.0	-38.40	264.51	6.57	-31.83
FC(F)(F)C1=CC=C(CSC2=N[N-]N=N2)N=C1	REAL250004572160	0	22	-1.0	-37.54	232.84	3.25	-34.29
FC(F)(F)C1=CC=C(CSC2=NN=N[N-]2)N=C1	REAL250004572160	1	22	-1.0	-37.24	232.43	3.25	-33.99
C1=CC=C(CSCCSC2=N[N-]N=N2)C=C1	REAL250004572161	0	27	-1.0	-38.41	265.13	6.27	-32.14
C1=CC=C(CSCCSC2=NN=N[N-]2)C=C1	REAL250004572161	1	27	-1.0	-38.32	264.72	6.28	-32.04
ClC1=CC(Cl)=CC(CCSC2=N[N-]N=N2)=C1	REAL250004572162	0	23	-1.0	-36.39	253.91	5.94	-30.45
ClC1=CC(Cl)=CC(CCSC2=NN=N[N-]2)=C1	REAL250004572162	1	23	-1.0	-36.17	253.50	5.95	-30.22
C1=NN(C2=CC=CC=C2)C(CSC2=NN=N[N-]2)=N1	REAL250004572163	0	26	-1.0	-38.24	245.80	5.45	-32.79
C1=NN(C2=CC=CC=C2)C(CSC2=N[N-]N=N2)=N1	REAL250004572163	1	26	-1.0	-38.48	246.21	5.45	-33.03
O=S(=O)(CCSC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004572164	0	26	-1.0	-43.75	266.10	2.00	-41.75
O=S(=O)(CCSC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004572164	1	26	-1.0	-43.61	265.69	2.01	-41.60
ClC1=CC(Cl)=CC(CCSC2=N[N-]N=N2)=C1	REAL250004572165	0	23	-1.0	-36.39	253.91	5.94	-30.45
ClC1=CC(Cl)=CC(CCSC2=NN=N[N-]2)=C1	REAL250004572165	1	23	-1.0	-36.17	253.50	5.95	-30.22
COC1=CC([N+](=O)[O-])=CC=C1CSC1=NN=N[N-]1	REAL250004572166	0	26	-1.0	-38.21	254.91	4.19	-34.02
COC1=CC([N+](=O)[O-])=CC=C1CSC1=N[N-]N=N1	REAL250004572166	1	26	-1.0	-38.53	255.32	4.18	-34.35
C1=C(C2=CC=CC=C2)N=C(CSC2=NN=N[N-]2)S1	REAL250004572167	0	26	-1.0	-40.55	261.63	4.89	-35.66
C1=C(C2=CC=CC=C2)N=C(CSC2=N[N-]N=N2)S1	REAL250004572167	1	26	-1.0	-40.82	262.04	4.87	-35.95
COC1=CC(Cl)=CC=C1CSC1=NN=N[N-]1	REAL250004572168	0	24	-1.0	-38.87	243.43	4.04	-34.83
COC1=CC(Cl)=CC=C1CSC1=N[N-]N=N1	REAL250004572168	1	24	-1.0	-39.08	243.84	4.03	-35.05
COC1=CC=C(Cl)C(CSC2=NN=N[N-]2)=C1	REAL250004572169	0	24	-1.0	-40.03	242.08	3.88	-36.15
COC1=CC=C(Cl)C(CSC2=N[N-]N=N2)=C1	REAL250004572169	1	24	-1.0	-40.25	242.49	3.87	-36.38
CC1(C)CC2=CC=CC(CSC3=NN=N[N-]3)=C2O1	REAL250004572170	0	31	-1.0	-43.90	275.74	5.38	-38.52
CC1(C)CC2=CC=CC(CSC3=N[N-]N=N3)=C2O1	REAL250004572170	1	31	-1.0	-44.08	276.15	5.38	-38.70
O=S(=O)(CCSC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004572171	0	29	-1.0	-49.81	284.03	2.58	-47.23
O=S(=O)(CCSC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004572171	1	29	-1.0	-49.83	283.62	2.59	-47.24
CCOC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004572172	0	29	-1.0	-36.02	284.67	6.16	-29.86
CCOC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004572172	1	29	-1.0	-36.25	286.20	6.15	-30.10
C(SC1=N[N-]N=N1)C1=NN=NN1CC1CCOCC1	REAL250004572173	0	32	-1.0	-36.57	283.88	1.95	-34.62
C(SC1=NN=N[N-]1)C1=NN=NN1CC1CCOCC1	REAL250004572173	1	32	-1.0	-36.19	283.46	1.95	-34.24
C(SC1=N[N-]N=N1)C1CCC2(CC1)OCCO2	REAL250004572174	0	32	-1.0	-38.95	266.44	3.24	-35.71
C(SC1=NN=N[N-]1)C1CCC2(CC1)OCCO2	REAL250004572174	1	32	-1.0	-38.79	266.03	3.26	-35.53
ClC1=CC=C(CSC2=NN=N[N-]2)C(Cl)=N1	REAL250004572175	0	19	-1.0	-37.67	224.45	3.16	-34.51
ClC1=CC=C(CSC2=N[N-]N=N2)C(Cl)=N1	REAL250004572175	1	19	-1.0	-38.01	224.86	3.15	-34.86
ClC1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572176	0	20	-1.0	-39.25	228.17	5.03	-34.22
ClC1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572176	1	20	-1.0	-39.00	227.76	5.04	-33.96
ClC1=CC=C(CSC2=NN=N[N-]2)C(N2C=NC=N2)=C1	REAL250004572177	0	26	-1.0	-43.91	266.59	7.58	-36.33
ClC1=CC=C(CSC2=N[N-]N=N2)C(N2C=NC=N2)=C1	REAL250004572177	1	26	-1.0	-44.16	267.01	7.58	-36.58
CC(CCSC1=N[N-]N=N1)OCC1=CC=CC=C1	REAL250004572178	0	33	-1.0	-40.70	295.50	5.76	-34.94
CC(CCSC1=NN=N[N-]1)OCC1=CC=CC=C1	REAL250004572178	1	33	-1.0	-40.57	295.09	5.76	-34.81
C1=CC=C2NC(CCCSC3=N[N-]N=N3)=NC2=C1	REAL250004572179	0	29	-1.0	-42.92	268.19	4.40	-38.52
C1=CC=C2NC(CCCSC3=NN=N[N-]3)=NC2=C1	REAL250004572179	1	29	-1.0	-42.46	267.77	4.41	-38.05
C1=CN(C2=CC=CC=C2)C(CSC2=NN=N[N-]2)=N1	REAL250004572180	0	27	-1.0	-41.50	254.89	5.71	-35.79
C1=CN(C2=CC=CC=C2)C(CSC2=N[N-]N=N2)=N1	REAL250004572180	1	27	-1.0	-41.69	255.31	5.71	-35.98
FC1=CC(OCCSC2=N[N-]N=N2)=CC=C1Cl	REAL250004572181	0	24	-1.0	-36.48	251.50	4.29	-32.19
FC1=CC(OCCSC2=NN=N[N-]2)=CC=C1Cl	REAL250004572181	1	24	-1.0	-36.31	251.09	4.30	-32.01
C1=CSC(C2=CC=C(CSC3=NN=N[N-]3)C=C2)=C1	REAL250004572182	0	27	-1.0	-38.13	265.90	6.76	-31.37
C1=CSC(C2=CC=C(CSC3=N[N-]N=N3)C=C2)=C1	REAL250004572182	1	27	-1.0	-38.41	266.31	6.76	-31.65
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C(F)=C1	REAL250004572183	0	26	-1.0	-40.48	259.04	4.84	-35.64
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C(F)=C1	REAL250004572183	1	26	-1.0	-40.19	258.63	4.84	-35.35
CCS(=O)(=O)CCCCCSC1=N[N-]N=N1	REAL250004572184	0	31	-1.0	-46.81	288.63	1.90	-44.91
CCS(=O)(=O)CCCCCSC1=NN=N[N-]1	REAL250004572184	1	31	-1.0	-46.44	288.22	1.91	-44.53
COC1=CC=NC(CSC2=NN=N[N-]2)=C1OC	REAL250004572185	0	27	-1.0	-43.81	252.91	1.51	-42.30
COC1=CC=NC(CSC2=N[N-]N=N2)=C1OC	REAL250004572185	1	27	-1.0	-44.00	253.32	1.50	-42.50
CCOC(=O)C(SC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572186	0	29	-1.0	-36.97	267.93	5.65	-31.32
CCOC(=O)C(SC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572186	1	29	-1.0	-37.26	269.47	5.63	-31.63
O=C(CCSC1=NN=N[N-]1)NC1=CC=CN=C1	REAL250004572187	0	26	-1.0	-45.70	248.70	1.46	-44.24
O=C(CCSC1=N[N-]N=N1)NC1=CC=CN=C1	REAL250004572187	1	26	-1.0	-45.66	249.11	1.45	-44.21
FC1=CC=C(N2C=CC(CSC3=N[N-]N=N3)=N2)C(F)=C1	REAL250004572188	0	27	-1.0	-39.13	267.62	5.28	-33.85
FC1=CC=C(N2C=CC(CSC3=NN=N[N-]3)=N2)C(F)=C1	REAL250004572188	1	27	-1.0	-38.88	267.21	5.28	-33.60
CCOC1=CC(CSC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004572189	0	29	-1.0	-38.11	276.33	5.80	-32.31
CCOC1=CC(CSC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004572189	1	29	-1.0	-37.75	275.92	5.80	-31.95
CS(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572190	0	26	-1.0	-45.17	259.63	1.67	-43.50
CS(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572190	1	26	-1.0	-44.82	259.21	1.67	-43.15
ClC1=CC=C2C(=C1)CCC2SC1=NN=N[N-]1	REAL250004572191	0	24	-1.0	-36.43	237.23	5.64	-30.79
ClC1=CC=C2C(=C1)CCC2SC1=N[N-]N=N1	REAL250004572191	1	24	-1.0	-36.54	238.49	5.74	-30.80
CC(SC1=NN=N[N-]1)C1=NC=CN1C1=CC=CC=C1	REAL250004572192	0	30	-1.0	-41.62	269.38	6.23	-35.39
CC(SC1=N[N-]N=N1)C1=NC=CN1C1=CC=CC=C1	REAL250004572192	1	30	-1.0	-41.96	270.33	6.24	-35.72
CCOC(=O)CC(C)(C)CCSC1=N[N-]N=N1	REAL250004572193	0	34	-1.0	-40.89	283.79	5.04	-35.85
CCOC(=O)CC(C)(C)CCSC1=NN=N[N-]1	REAL250004572193	1	34	-1.0	-40.81	283.38	5.05	-35.76
C1=CC=C(CC(CC2=CC=CC=C2)SC2=NN=N[N-]2)C=C1	REAL250004572194	0	36	-1.0	-41.36	312.12	9.05	-32.31
C1=CC=C(CC(CC2=CC=CC=C2)SC2=N[N-]N=N2)C=C1	REAL250004572194	1	36	-1.0	-43.49	305.88	9.05	-34.44
COC1=NC(C)=CC(C)=C1CSC1=NN=N[N-]1	REAL250004572195	0	29	-1.0	-41.74	263.17	2.09	-39.65
COC1=NC(C)=CC(C)=C1CSC1=N[N-]N=N1	REAL250004572195	1	29	-1.0	-41.98	263.58	2.09	-39.89
FC(F)(F)C1=CC=C(CSC2=N[N-]N=N2)N=C1	REAL250004572196	0	22	-1.0	-37.54	232.84	3.25	-34.29
FC(F)(F)C1=CC=C(CSC2=NN=N[N-]2)N=C1	REAL250004572196	1	22	-1.0	-37.24	232.43	3.25	-33.99
FC1(F)OC2=CC=C(CSC3=N[N-]N=N3)C=C2O1	REAL250004572197	0	23	-1.0	-36.47	238.58	3.25	-33.22
FC1(F)OC2=CC=C(CSC3=NN=N[N-]3)C=C2O1	REAL250004572197	1	23	-1.0	-36.16	238.16	3.25	-32.91
CC1=C(CCSC2=N[N-]N=N2)C(=O)N2C=CSC2=N1	REAL250004572198	0	28	-1.0	-48.64	273.32	4.52	-44.12
CC1=C(CCSC2=NN=N[N-]2)C(=O)N2C=CSC2=N1	REAL250004572198	1	28	-1.0	-48.59	272.91	4.53	-44.06
CC1=CC=C(C2=CSC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004572199	0	29	-1.0	-40.55	283.03	5.56	-34.99
CC1=CC=C(C2=CSC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004572199	1	29	-1.0	-40.75	283.44	5.55	-35.20
COC(=O)C1=CC=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572200	0	26	-1.0	-48.39	260.09	5.04	-43.35
COC(=O)C1=CC=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572200	1	26	-1.0	-48.56	260.51	5.03	-43.53
CCC(C)(C)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572201	0	35	-1.0	-37.59	288.95	6.94	-30.65
CCC(C)(C)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572201	1	35	-1.0	-37.78	289.37	6.93	-30.85
O=[N+]([O-])C1=CC(F)=C(CSC2=N[N-]N=N2)C(F)=C1	REAL250004572202	0	22	-1.0	-35.94	237.77	4.87	-31.07
O=[N+]([O-])C1=CC(F)=C(CSC2=NN=N[N-]2)C(F)=C1	REAL250004572202	1	22	-1.0	-35.63	237.36	4.88	-30.75
FC(F)(F)C1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572203	0	23	-1.0	-41.81	229.20	4.89	-36.92
FC(F)(F)C1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572203	1	23	-1.0	-41.59	228.79	4.90	-36.69
CN(C)C1=NC=NC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572204	0	26	-1.0	-37.56	258.88	3.21	-34.35
CN(C)C1=NC=NC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572204	1	26	-1.0	-37.79	259.29	3.21	-34.58
O=C1C2=CC=CC=C2C(=O)N1CCSC1=N[N-]N=N1	REAL250004572205	0	27	-1.0	-45.51	265.28	3.73	-41.78
O=C1C2=CC=CC=C2C(=O)N1CCSC1=NN=N[N-]1	REAL250004572205	1	27	-1.0	-45.49	264.87	3.73	-41.76
O=[N+]([O-])C1=CC=C(CSC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004572206	0	24	-1.0	-41.89	247.68	5.26	-36.63
O=[N+]([O-])C1=CC=C(CSC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004572206	1	24	-1.0	-42.24	248.10	5.26	-36.98
FC(F)(F)CN1N=NC(CSC2=N[N-]N=N2)=N1	REAL250004572207	0	21	-1.0	-40.10	231.86	1.10	-39.00
FC(F)(F)CN1N=NC(CSC2=NN=N[N-]2)=N1	REAL250004572207	1	21	-1.0	-39.89	231.45	1.11	-38.78
FC1=C(F)C(F)=C(CSC2=N[N-]N=N2)C(F)=C1F	REAL250004572208	0	20	-1.0	-33.94	228.30	4.39	-29.55
FC1=C(F)C(F)=C(CSC2=NN=N[N-]2)C(F)=C1F	REAL250004572208	1	20	-1.0	-33.68	227.89	4.41	-29.27
CC1=CC=C(Br)C=C1CSC1=N[N-]N=N1	REAL250004572209	0	23	-1.0	-37.27	237.24	5.30	-31.97
CC1=CC=C(Br)C=C1CSC1=NN=N[N-]1	REAL250004572209	1	23	-1.0	-37.02	236.83	5.30	-31.72
COC(=O)C1=CSC(CSC2=N[N-]N=N2)=N1	REAL250004572210	0	22	-1.0	-39.72	239.91	1.77	-37.95
COC(=O)C1=CSC(CSC2=NN=N[N-]2)=N1	REAL250004572210	1	22	-1.0	-39.43	239.50	1.79	-37.64
ClC1=CC=C(CSC2=N[N-]N=N2)C(Cl)=C1	REAL250004572211	0	20	-1.0	-36.80	229.73	5.08	-31.72
ClC1=CC=C(CSC2=NN=N[N-]2)C(Cl)=C1	REAL250004572211	1	20	-1.0	-36.56	229.32	5.10	-31.46
COC1=CC(CSC2=NN=N[N-]2)=CC=C1Cl	REAL250004572212	0	24	-1.0	-36.55	244.07	3.99	-32.56
COC1=CC(CSC2=N[N-]N=N2)=CC=C1Cl	REAL250004572212	1	24	-1.0	-36.85	244.48	3.99	-32.86
COC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=N2)N=N1	REAL250004572213	0	27	-1.0	-39.69	272.47	-1.94	-41.63
COC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=N2)N=N1	REAL250004572213	1	27	-1.0	-39.36	272.06	-1.94	-41.30
CC(C1=CC=C(CSC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004572214	0	29	-1.0	-38.98	273.97	6.33	-32.65
CC(C1=CC=C(CSC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004572214	1	29	-1.0	-38.68	273.56	6.34	-32.34
CS(=O)(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572215	0	26	-1.0	-46.41	259.22	1.66	-44.75
CS(=O)(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572215	1	26	-1.0	-46.79	259.64	1.66	-45.13
CC1=CC=NC(C2=NOC(CSC3=NN=N[N-]3)=N2)=C1	REAL250004572216	0	27	-1.0	-40.12	266.27	1.56	-38.56
CC1=CC=NC(C2=NOC(CSC3=N[N-]N=N3)=N2)=C1	REAL250004572216	1	27	-1.0	-40.35	266.68	1.56	-38.79
CN(C)S(=O)(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572217	0	31	-1.0	-43.37	294.09	2.14	-41.23
CN(C)S(=O)(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572217	1	31	-1.0	-43.71	294.51	2.14	-41.57
CC(SC1=NN=N[N-]1)C(=O)NC1=NC=CS1	REAL250004572218	0	23	-1.0	-43.08	235.10	1.68	-41.40
CC(SC1=N[N-]N=N1)C(=O)NC1=NC=CS1	REAL250004572218	1	23	-1.0	-43.64	236.05	1.68	-41.96
O=C1NC2CCCCC2CC1SC1=N[N-]N=N1	REAL250004572219	0	31	-1.0	-49.38	253.55	2.28	-47.10
O=C1NC2CCCCC2CC1SC1=NN=N[N-]1	REAL250004572219	1	31	-1.0	-49.16	252.67	2.29	-46.87
CCOC1=CC=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572220	0	27	-1.0	-43.71	262.61	4.88	-38.83
CCOC1=CC=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572220	1	27	-1.0	-43.85	263.02	4.87	-38.98
CC1=CN=CC(C2=NC(CSC3=NN=N[N-]3)=NO2)=C1	REAL250004572221	0	27	-1.0	-39.74	266.02	1.52	-38.22
CC1=CN=CC(C2=NC(CSC3=N[N-]N=N3)=NO2)=C1	REAL250004572221	1	27	-1.0	-39.92	266.44	1.51	-38.41
CC1=CC(CSC2=NN=N[N-]2)=CC=C1N1CCCCC1	REAL250004572222	0	38	-1.0	-37.01	315.67	6.82	-30.19
CC1=CC(CSC2=N[N-]N=N2)=CC=C1N1CCCCC1	REAL250004572222	1	38	-1.0	-37.23	316.09	6.82	-30.41
CC(SC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004572223	0	34	-1.0	-38.08	301.35	7.61	-30.47
CC(SC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004572223	1	34	-1.0	-38.43	302.31	7.60	-30.83
C1=CN(CCC2=CC=CC=C2)N=C1CSC1=N[N-]N=N1	REAL250004572224	0	33	-1.0	-43.02	304.75	6.46	-36.56
C1=CN(CCC2=CC=CC=C2)N=C1CSC1=NN=N[N-]1	REAL250004572224	1	33	-1.0	-42.81	304.34	6.47	-36.34
CC(C)(C)C(=O)N1CCCC(CSC2=N[N-]N=N2)C1	REAL250004572225	0	39	-1.0	-43.92	304.75	4.55	-39.37
CC(C)(C)C(=O)N1CCCC(CSC2=NN=N[N-]2)C1	REAL250004572225	1	39	-1.0	-43.78	304.34	4.56	-39.22
N#CCC1=CC=C(OCC(O)CSC2=N[N-]N=N2)C=C1	REAL250004572226	0	32	-1.0	-44.97	303.31	2.61	-42.36
N#CCC1=CC=C(OCC(O)CSC2=NN=N[N-]2)C=C1	REAL250004572226	1	32	-1.0	-44.59	302.89	2.61	-41.98
BrC1=NN(CCSC2=NN=N[N-]2)C=N1	REAL250004572227	0	19	-1.0	-43.22	217.50	3.32	-39.90
BrC1=NN(CCSC2=N[N-]N=N2)C=N1	REAL250004572227	1	19	-1.0	-43.28	217.91	3.32	-39.96
COC(=O)CN1C=C(CSC2=N[N-]N=N2)N=N1	REAL250004572228	0	25	-1.0	-50.84	250.49	1.59	-49.25
COC(=O)CN1C=C(CSC2=NN=N[N-]2)N=N1	REAL250004572228	1	25	-1.0	-50.44	250.08	1.59	-48.85
C1=CC=C(CSCCSC2=N[N-]N=N2)C=C1	REAL250004572229	0	27	-1.0	-38.41	265.13	6.27	-32.14
C1=CC=C(CSCCSC2=NN=N[N-]2)C=C1	REAL250004572229	1	27	-1.0	-38.32	264.72	6.28	-32.04
CCS(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572230	0	29	-1.0	-43.22	281.11	2.56	-40.66
CCS(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572230	1	29	-1.0	-43.01	280.70	2.57	-40.44
BrC1=NOC(CSC2=N[N-]N=N2)=C1	REAL250004572231	0	16	-1.0	-34.31	195.64	2.19	-32.12
BrC1=NOC(CSC2=NN=N[N-]2)=C1	REAL250004572231	1	16	-1.0	-33.97	195.23	2.19	-31.78
BrC1=CC(CSC2=N[N-]N=N2)=CC=N1	REAL250004572232	0	19	-1.0	-36.44	215.29	2.87	-33.57
BrC1=CC(CSC2=NN=N[N-]2)=CC=N1	REAL250004572232	1	19	-1.0	-36.10	214.88	2.88	-33.22
BrC1=NC=C(CSC2=NN=N[N-]2)S1	REAL250004572233	0	16	-1.0	-34.52	205.01	1.94	-32.58
BrC1=NC=C(CSC2=N[N-]N=N2)S1	REAL250004572233	1	16	-1.0	-34.89	205.42	1.94	-32.95
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572234	0	26	-1.0	-44.04	263.18	5.11	-38.93
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572234	1	26	-1.0	-44.31	263.59	5.10	-39.21
CCOC(=O)C1=C(CSC2=N[N-]N=N2)NN=C1C	REAL250004572235	0	29	-1.0	-40.03	278.84	2.70	-37.33
CCOC(=O)C1=C(CSC2=NN=N[N-]2)NN=C1C	REAL250004572235	1	29	-1.0	-39.71	278.43	2.70	-37.01
ClC1=CC=CC(Cl)=C1CCSC1=N[N-]N=N1	REAL250004572236	0	23	-1.0	-38.98	248.54	5.77	-33.21
ClC1=CC=CC(Cl)=C1CCSC1=NN=N[N-]1	REAL250004572236	1	23	-1.0	-38.77	248.13	5.79	-32.98
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572237	0	26	-1.0	-38.66	266.28	5.19	-33.47
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572237	1	26	-1.0	-38.35	265.87	5.19	-33.16
BrC1=CC(CSC2=N[N-]N=N2)=CC=N1	REAL250004572238	0	19	-1.0	-36.44	215.29	2.87	-33.57
BrC1=CC(CSC2=NN=N[N-]2)=CC=N1	REAL250004572238	1	19	-1.0	-36.10	214.88	2.88	-33.22
COC(CSC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004572239	0	30	-1.0	-38.53	265.56	4.42	-34.11
COC(CSC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004572239	1	30	-1.0	-38.28	265.15	4.43	-33.85
CC(SC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004572240	0	23	-1.0	-36.14	234.91	5.39	-30.75
CC(SC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004572240	1	23	-1.0	-35.79	233.96	5.40	-30.39
CCOC(=O)C1=CSC(CSC2=N[N-]N=N2)=N1	REAL250004572241	0	25	-1.0	-39.79	261.78	2.70	-37.09
CCOC(=O)C1=CSC(CSC2=NN=N[N-]2)=N1	REAL250004572241	1	25	-1.0	-39.48	261.37	2.71	-36.77
CN1C=C(Br)C(CSC2=N[N-]N=N2)=N1	REAL250004572242	0	20	-1.0	-42.41	222.68	2.42	-39.99
CN1C=C(Br)C(CSC2=NN=N[N-]2)=N1	REAL250004572242	1	20	-1.0	-42.26	222.27	2.42	-39.84
CC1=CC=C(CSC2=N[N-]N=N2)C(Br)=C1	REAL250004572243	0	23	-1.0	-39.37	238.44	5.33	-34.04
CC1=CC=C(CSC2=NN=N[N-]2)C(Br)=C1	REAL250004572243	1	23	-1.0	-39.14	238.03	5.33	-33.81
CC(C)OC(CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572244	0	33	-1.0	-39.62	288.81	5.45	-34.17
CC(C)OC(CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572244	1	33	-1.0	-39.52	288.41	5.45	-34.07
O=[N+]([O-])C1=CC=C(O)C=C1CSC1=NN=N[N-]1	REAL250004572245	1	23	-1.0	-46.86	230.43	1.73	-45.13
BrC1=CSC=C1CSC1=N[N-]N=N1	REAL250004572246	0	17	-1.0	-38.24	208.08	3.62	-34.62
BrC1=CSC=C1CSC1=NN=N[N-]1	REAL250004572246	1	17	-1.0	-37.95	207.67	3.63	-34.32
CCCOC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572247	0	30	-1.0	-39.21	271.39	5.17	-34.04
CCCOC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572247	1	30	-1.0	-39.43	271.80	5.17	-34.26
CCC1=NC(C(C)C)=CC=C1CSC1=NN=N[N-]1	REAL250004572248	0	34	-1.0	-37.65	287.82	5.28	-32.37
CCC1=NC(C(C)C)=CC=C1CSC1=N[N-]N=N1	REAL250004572248	1	34	-1.0	-37.86	288.23	5.27	-32.59
ClC1=CC(Cl)=CC(CSC2=N[N-]N=N2)=C1	REAL250004572249	0	20	-1.0	-34.94	232.41	5.15	-29.79
ClC1=CC(Cl)=CC(CSC2=NN=N[N-]2)=C1	REAL250004572249	1	20	-1.0	-34.65	232.00	5.16	-29.49
CC(C)(C)OC(=O)NCC(C)(O)CSC1=N[N-]N=N1	REAL250004572250	0	37	-1.0	-40.69	312.18	-0.86	-41.55
CC(C)(C)OC(=O)NCC(C)(O)CSC1=NN=N[N-]1	REAL250004572250	1	37	-1.0	-40.48	311.77	-0.85	-41.33
N#CC1=CC=C(S(=O)(=O)CCSC2=NN=N[N-]2)N=C1	REAL250004572251	0	26	-1.0	-47.19	276.04	0.44	-46.75
N#CC1=CC=C(S(=O)(=O)CCSC2=N[N-]N=N2)N=C1	REAL250004572251	1	26	-1.0	-47.34	276.45	0.44	-46.90
CC(C)(C)[Si](C)(C)OCCSC1=N[N-]N=N1	REAL250004572252	0	35	-1.0	-37.48	299.62	5.91	-31.57
CC(C)(C)[Si](C)(C)OCCSC1=NN=N[N-]1	REAL250004572252	1	35	-1.0	-37.45	299.21	5.91	-31.54
CCOC(=O)C1=C(C)ON=C1CSC1=N[N-]N=N1	REAL250004572253	0	28	-1.0	-41.94	275.18	3.96	-37.98
CCOC(=O)C1=C(C)ON=C1CSC1=NN=N[N-]1	REAL250004572253	1	28	-1.0	-41.82	274.77	3.97	-37.85
C1=C(CSC2=NN=N[N-]2)N(C2=CC=CC=C2)N=N1	REAL250004572254	0	26	-1.0	-37.47	245.02	3.60	-33.87
C1=C(CSC2=N[N-]N=N2)N(C2=CC=CC=C2)N=N1	REAL250004572254	1	26	-1.0	-37.76	245.43	3.59	-34.17
COC(=O)[C@@H](NC(=O)CSC1=N[N-]N=N1)C(C)C	REAL250004572255	0	32	-1.0	-39.31	283.59	1.93	-37.38
COC(=O)[C@@H](NC(=O)CSC1=NN=N[N-]1)C(C)C	REAL250004572255	1	32	-1.0	-38.94	283.18	1.94	-37.00
C1=CC(C2CCCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572256	0	33	-1.0	-37.37	282.08	7.34	-30.03
C1=CC(C2CCCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004572256	1	33	-1.0	-37.67	282.49	7.33	-30.34
ClC1=CC2=C(C=C1CSC1=N[N-]N=N1)OCCO2	REAL250004572257	0	26	-1.0	-40.18	257.48	3.73	-36.45
ClC1=CC2=C(C=C1CSC1=NN=N[N-]1)OCCO2	REAL250004572257	1	26	-1.0	-39.95	257.07	3.73	-36.22
CC1=CC=C(OC(F)F)C(CSC2=NN=N[N-]2)=C1	REAL250004572258	0	27	-1.0	-40.60	257.86	4.46	-36.14
CC1=CC=C(OC(F)F)C(CSC2=N[N-]N=N2)=C1	REAL250004572258	1	27	-1.0	-40.80	258.27	4.45	-36.35
FC1=CC(C(F)(F)F)=C(F)C=C1CSC1=N[N-]N=N1	REAL250004572259	0	23	-1.0	-35.35	248.57	5.24	-30.11
FC1=CC(C(F)(F)F)=C(F)C=C1CSC1=NN=N[N-]1	REAL250004572259	1	23	-1.0	-35.04	248.15	5.24	-29.80
CC(SC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL250004572260	0	35	-1.0	-37.71	288.87	7.10	-30.61
CC(SC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL250004572260	1	35	-1.0	-37.98	289.82	7.09	-30.89
ClC1=CC=C2C(=C1)C=CN2CCSC1=N[N-]N=N1	REAL250004572261	0	27	-1.0	-38.61	270.05	6.65	-31.96
ClC1=CC=C2C(=C1)C=CN2CCSC1=NN=N[N-]1	REAL250004572261	1	27	-1.0	-38.48	269.64	6.65	-31.83
N#CC1=CC(Br)=CC=C1CSC1=N[N-]N=N1	REAL250004572262	0	21	-1.0	-41.00	238.85	4.99	-36.01
N#CC1=CC(Br)=CC=C1CSC1=NN=N[N-]1	REAL250004572262	1	21	-1.0	-40.68	238.44	4.99	-35.69
CCN(CCOC)C1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572263	0	37	-1.0	-40.97	322.74	4.97	-36.00
CCN(CCOC)C1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572263	1	37	-1.0	-40.77	322.33	4.97	-35.80
N#CC1=CC=CC([N+](=O)[O-])=C1CSC1=NN=N[N-]1	REAL250004572264	0	23	-1.0	-52.98	240.78	4.94	-48.04
N#CC1=CC=CC([N+](=O)[O-])=C1CSC1=N[N-]N=N1	REAL250004572264	1	23	-1.0	-53.16	241.19	4.93	-48.23
CO[C@H]1C2=CC=CC=C2OC[C@H]1SC1=NN=N[N-]1	REAL250004572265	0	29	-1.0	-40.67	253.51	3.01	-37.66
CO[C@H]1C2=CC=CC=C2OC[C@H]1SC1=N[N-]N=N1	REAL250004572265	1	29	-1.0	-40.77	254.46	3.00	-37.77
C1=CN=CC(C2CC(SC3=NN=N[N-]3)CCO2)=C1	REAL250004572266	0	30	-1.0	-38.08	258.45	3.26	-34.82
C1=CN=CC(C2CC(SC3=N[N-]N=N3)CCO2)=C1	REAL250004572266	1	30	-1.0	-38.34	259.39	3.26	-35.08
C1=CC(C2CC(SC3=N[N-]N=N3)CCO2)=CC=N1	REAL250004572267	0	30	-1.0	-37.55	259.27	3.30	-34.25
C1=CC(C2CC(SC3=NN=N[N-]3)CCO2)=CC=N1	REAL250004572267	1	30	-1.0	-37.17	258.33	3.31	-33.86
O[C@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL250004572268	0	24	-1.0	-38.41	258.26	2.75	-35.66
O[C@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL250004572268	1	24	-1.0	-38.12	257.84	2.76	-35.36
O[C@@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004572269	0	24	-1.0	-37.83	244.46	2.33	-35.50
O[C@@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004572269	1	24	-1.0	-37.56	244.05	2.34	-35.22
O[C@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004572270	0	24	-1.0	-37.89	244.87	2.30	-35.59
O[C@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004572270	1	24	-1.0	-37.55	244.46	2.30	-35.25
O[C@@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL250004572271	0	24	-1.0	-38.31	258.00	2.78	-35.53
O[C@@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL250004572271	1	24	-1.0	-38.01	257.58	2.78	-35.23
O[C@@H](CSC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004572272	0	30	-1.0	-40.52	269.51	3.99	-36.53
O[C@@H](CSC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004572272	1	30	-1.0	-40.73	269.93	3.98	-36.75
O[C@@H](CSC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572273	0	27	-1.0	-38.23	266.45	2.82	-35.41
O[C@@H](CSC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572273	1	27	-1.0	-37.88	266.04	2.82	-35.06
C1=CC=C(COC2CC(SC3=N[N-]N=N3)C2)C=C1	REAL250004572274	0	31	-1.0	-42.65	281.33	5.48	-37.17
C1=CC=C(COC2CC(SC3=NN=N[N-]3)C2)C=C1	REAL250004572274	1	31	-1.0	-42.54	280.63	5.49	-37.05
O=C1NC2=CC=CC=C2SC1CCSC1=N[N-]N=N1	REAL250004572275	0	29	-1.0	-41.05	277.34	3.85	-37.20
O=C1NC2=CC=CC=C2SC1CCSC1=NN=N[N-]1	REAL250004572275	1	29	-1.0	-40.89	276.93	3.86	-37.03
O=C1C=C(CSC2=N[N-]N=N2)N=C(C2CC2)N1	REAL250004572276	0	26	-1.0	-42.35	250.96	2.41	-39.94
O=C1C=C(CSC2=NN=N[N-]2)N=C(C2CC2)N1	REAL250004572276	1	26	-1.0	-42.19	250.55	2.41	-39.78
NC(=O)C(O)(CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572277	0	28	-1.0	-42.31	257.84	-0.66	-42.97
NC(=O)C(O)(CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572277	1	28	-1.0	-42.86	258.25	-0.66	-43.52
O=C1C=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL250004572278	0	29	-1.0	-42.09	275.27	3.96	-38.13
O=C1C=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL250004572278	1	29	-1.0	-42.39	275.68	3.96	-38.43
CCOC(=O)C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004572279	0	24	-1.0	-36.00	247.73	0.59	-35.41
CCOC(=O)C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004572279	1	24	-1.0	-35.63	247.32	0.59	-35.04
CC1=CC=C(Br)C=C1CSC1=N[N-]N=N1	REAL250004572280	0	23	-1.0	-37.27	237.24	5.30	-31.97
CC1=CC=C(Br)C=C1CSC1=NN=N[N-]1	REAL250004572280	1	23	-1.0	-37.02	236.83	5.30	-31.72
CC(C)(C)OC(=O)N1CCC(CCSC2=N[N-]N=N2)C1	REAL250004572281	0	40	-1.0	-44.76	331.18	4.98	-39.78
CC(C)(C)OC(=O)N1CCC(CCSC2=NN=N[N-]2)C1	REAL250004572281	1	40	-1.0	-44.66	330.77	4.98	-39.68
O=C1C(SC2=N[N-]N=N2)CCN1C1=CC=C(F)C=C1	REAL250004572284	0	28	-1.0	-52.31	257.51	4.68	-47.63
O=C1C(SC2=NN=N[N-]2)CCN1C1=CC=C(F)C=C1	REAL250004572284	1	28	-1.0	-52.89	256.01	4.60	-48.29
O=C(C1=CC=CC(CSC2=N[N-]N=N2)=C1)C(F)(F)F	REAL250004572285	0	25	-1.0	-39.09	257.82	4.95	-34.14
O=C(C1=CC=CC(CSC2=NN=N[N-]2)=C1)C(F)(F)F	REAL250004572285	1	25	-1.0	-38.81	257.41	4.96	-33.85
FC1=CC(C2=NC=CO2)=CC=C1CSC1=NN=N[N-]1	REAL250004572286	0	26	-1.0	-41.99	259.95	2.69	-39.30
FC1=CC(C2=NC=CO2)=CC=C1CSC1=N[N-]N=N1	REAL250004572286	1	26	-1.0	-42.26	260.37	2.69	-39.57
COC(=O)C1=CC(CSC2=N[N-]N=N2)=CS1	REAL250004572287	0	23	-1.0	-40.66	245.12	3.83	-36.83
COC(=O)C1=CC(CSC2=NN=N[N-]2)=CS1	REAL250004572287	1	23	-1.0	-40.35	244.71	3.83	-36.52
CC1=CC2=CC(CSC3=NN=N[N-]3)=CN=C2C=C1	REAL250004572288	0	28	-1.0	-39.16	261.06	5.15	-34.01
CC1=CC2=CC(CSC3=N[N-]N=N3)=CN=C2C=C1	REAL250004572288	1	28	-1.0	-39.47	261.48	5.15	-34.32
ClC1=CC(CSC2=N[N-]N=N2)=C(Cl)S1	REAL250004572289	0	17	-1.0	-35.34	221.36	4.25	-31.09
ClC1=CC(CSC2=NN=N[N-]2)=C(Cl)S1	REAL250004572289	1	17	-1.0	-35.08	220.95	4.26	-30.82
FC(F)(F)COC1=CC=C(CSC2=NN=N[N-]2)C=N1	REAL250004572290	0	26	-1.0	-36.59	267.00	2.24	-34.35
FC(F)(F)COC1=CC=C(CSC2=N[N-]N=N2)C=N1	REAL250004572290	1	26	-1.0	-36.95	267.41	2.23	-34.72
CC1=CC=C(CSC2=N[N-]N=N2)C=C1Br	REAL250004572291	0	23	-1.0	-37.36	238.44	5.33	-32.03
CC1=CC=C(CSC2=NN=N[N-]2)C=C1Br	REAL250004572291	1	23	-1.0	-37.10	238.03	5.33	-31.77
CS(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)O1	REAL250004572292	0	23	-1.0	-46.51	242.98	-0.16	-46.67
CS(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)O1	REAL250004572292	1	23	-1.0	-46.08	242.57	-0.16	-46.24
O=C(CSC1=N[N-]N=N1)NC1=C(F)C=CC=C1F	REAL250004572293	0	24	-1.0	-43.60	249.32	2.63	-40.97
O=C(CSC1=NN=N[N-]1)NC1=C(F)C=CC=C1F	REAL250004572293	1	24	-1.0	-43.16	248.91	2.64	-40.52
C1=CC(CN2CCOCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004572294	0	36	-1.0	-38.99	307.81	3.24	-35.75
C1=CC(CN2CCOCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572294	1	36	-1.0	-38.75	307.40	3.25	-35.50
C1=CC(CSC2=N[N-]N=N2)=CC(CN2CCOCC2)=C1	REAL250004572295	0	36	-1.0	-39.58	306.92	3.06	-36.52
C1=CC(CSC2=NN=N[N-]2)=CC(CN2CCOCC2)=C1	REAL250004572295	1	36	-1.0	-39.26	306.50	3.06	-36.20
ClC1=CC=CC=C1C1=CC(CSC2=NN=N[N-]2)=NO1	REAL250004572296	0	26	-1.0	-40.93	270.05	5.71	-35.22
ClC1=CC=CC=C1C1=CC(CSC2=N[N-]N=N2)=NO1	REAL250004572296	1	26	-1.0	-41.16	270.46	5.70	-35.46
FC1=CC=C(CSC2=N[N-]N=N2)C=C1Br	REAL250004572297	0	20	-1.0	-35.87	225.95	4.80	-31.07
FC1=CC=C(CSC2=NN=N[N-]2)C=C1Br	REAL250004572297	1	20	-1.0	-35.54	225.54	4.80	-30.74
C1=CC=C(C2=CC=C(CSC3=NN=N[N-]3)C=N2)N=C1	REAL250004572298	0	28	-1.0	-39.95	267.72	4.49	-35.46
C1=CC=C(C2=CC=C(CSC3=N[N-]N=N3)C=N2)N=C1	REAL250004572298	1	28	-1.0	-40.28	268.13	4.48	-35.80
COC(=O)CCC(SC1=N[N-]N=N1)C(=O)OC	REAL250004572299	0	28	-1.0	-43.25	267.02	3.42	-39.83
COC(=O)CCC(SC1=NN=N[N-]1)C(=O)OC	REAL250004572299	1	28	-1.0	-43.10	265.63	3.47	-39.63
FC(F)(F)C1=NN=C(CSC2=N[N-]N=N2)S1	REAL250004572300	0	18	-1.0	-35.13	219.55	1.31	-33.82
FC(F)(F)C1=NN=C(CSC2=NN=N[N-]2)S1	REAL250004572300	1	18	-1.0	-34.84	219.14	1.32	-33.52
C1=CN=CC(C2CC(SC3=NN=N[N-]3)CCO2)=C1	REAL250004572301	0	30	-1.0	-38.08	258.45	3.26	-34.82
C1=CN=CC(C2CC(SC3=N[N-]N=N3)CCO2)=C1	REAL250004572301	1	30	-1.0	-38.34	259.39	3.26	-35.08
C1=C(CSC2=N[N-]N=N2)N=C(CC2=CC=CC=N2)S1	REAL250004572302	0	28	-1.0	-45.77	281.37	3.80	-41.97
C1=C(CSC2=NN=N[N-]2)N=C(CC2=CC=CC=N2)S1	REAL250004572302	1	28	-1.0	-45.59	280.95	3.80	-41.79
CC(C)COC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572303	0	33	-1.0	-39.17	291.49	5.87	-33.30
CC(C)COC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572303	1	33	-1.0	-39.41	291.90	5.87	-33.54
CC(C)(C)OC(=O)N1CCC(SC2=N[N-]N=N2)C1	REAL250004572304	0	34	-1.0	-44.11	288.63	3.53	-40.58
CC(C)(C)OC(=O)N1CCC(SC2=NN=N[N-]2)C1	REAL250004572304	1	34	-1.0	-43.91	287.08	3.53	-40.38
CC(SC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572305	0	23	-1.0	-36.01	245.53	5.73	-30.28
CC(SC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572305	1	23	-1.0	-35.65	244.57	5.74	-29.91
COC1=CN=CC(C=CCCSC2=N[N-]N=N2)=C1	REAL250004572306	0	30	-1.0	-40.44	275.93	3.71	-36.73
COC1=CN=CC(C=CCCSC2=NN=N[N-]2)=C1	REAL250004572306	1	30	-1.0	-40.21	275.51	3.72	-36.49
O=C1OC(CSC2=N[N-]N=N2)CN1C1CCCCC1	REAL250004572307	0	35	-1.0	-46.02	293.25	4.44	-41.58
O=C1OC(CSC2=NN=N[N-]2)CN1C1CCCCC1	REAL250004572307	1	35	-1.0	-45.55	292.83	4.45	-41.10
COC(=O)C1=CC(CSC2=NN=N[N-]2)=CN=C1Cl	REAL250004572308	0	25	-1.0	-36.87	261.05	3.32	-33.55
COC(=O)C1=CC(CSC2=N[N-]N=N2)=CN=C1Cl	REAL250004572308	1	25	-1.0	-37.32	261.46	3.32	-34.00
BrC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572309	0	20	-1.0	-35.95	220.24	4.77	-31.18
BrC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572309	1	20	-1.0	-35.60	219.82	4.77	-30.83
FC1=CC=CC(F)=C1CCCSC1=N[N-]N=N1	REAL250004572310	0	26	-1.0	-39.85	252.56	5.76	-34.09
FC1=CC=CC(F)=C1CCCSC1=NN=N[N-]1	REAL250004572310	1	26	-1.0	-39.65	252.15	5.77	-33.88
FC(F)(F)COC1=CC=C(CSC2=N[N-]N=N2)N=N1	REAL250004572311	0	25	-1.0	-39.12	262.55	0.85	-38.27
FC(F)(F)COC1=CC=C(CSC2=NN=N[N-]2)N=N1	REAL250004572311	1	25	-1.0	-38.81	262.14	0.86	-37.95
COC1=CC=C(OC)C(C(O)CSC2=N[N-]N=N2)=C1	REAL250004572312	0	32	-1.0	-42.09	285.23	0.50	-41.59
COC1=CC=C(OC)C(C(O)CSC2=NN=N[N-]2)=C1	REAL250004572312	1	32	-1.0	-41.83	284.82	0.51	-41.32
C1=CC=C(COC2=CC=C(CSC3=NN=N[N-]3)C=N2)C=C1	REAL250004572313	0	33	-1.0	-38.28	307.33	4.83	-33.45
C1=CC=C(COC2=CC=C(CSC3=N[N-]N=N3)C=N2)C=C1	REAL250004572313	1	33	-1.0	-38.62	307.75	4.82	-33.80
CS(=O)(=O)CC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572314	0	29	-1.0	-50.07	283.97	2.34	-47.73
CS(=O)(=O)CC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572314	1	29	-1.0	-49.91	283.55	2.34	-47.57
C1=CC=C(COC2=CC=CC=C2CSC2=NN=N[N-]2)C=C1	REAL250004572315	0	34	-1.0	-43.63	308.45	7.50	-36.13
C1=CC=C(COC2=CC=CC=C2CSC2=N[N-]N=N2)C=C1	REAL250004572315	1	34	-1.0	-43.83	308.87	7.49	-36.34
COC1=CC=C(C(C)C)C=C1CSC1=NN=N[N-]1	REAL250004572316	0	33	-1.0	-41.55	286.90	5.44	-36.11
COC1=CC=C(C(C)C)C=C1CSC1=N[N-]N=N1	REAL250004572316	1	33	-1.0	-41.76	287.31	5.43	-36.33
FC1(F)OC2=CC=CC(CSC3=N[N-]N=N3)=C2O1	REAL250004572317	0	23	-1.0	-42.09	238.53	3.24	-38.85
FC1(F)OC2=CC=CC(CSC3=NN=N[N-]3)=C2O1	REAL250004572317	1	23	-1.0	-41.84	238.12	3.24	-38.60
C1=CC=C2OC(CSC3=N[N-]N=N3)COC2=C1	REAL250004572318	0	26	-1.0	-39.85	242.80	3.44	-36.41
C1=CC=C2OC(CSC3=NN=N[N-]3)COC2=C1	REAL250004572318	1	26	-1.0	-39.53	242.38	3.44	-36.09
C1=CC=C(N2CCOC(CSC3=N[N-]N=N3)C2)C=C1	REAL250004572319	0	33	-1.0	-38.92	286.34	3.25	-35.67
C1=CC=C(N2CCOC(CSC3=NN=N[N-]3)C2)C=C1	REAL250004572319	1	33	-1.0	-38.68	285.93	3.26	-35.42
COC(=O)C1(CSC2=N[N-]N=N2)CCOCC1	REAL250004572320	0	30	-1.0	-38.28	254.51	2.27	-36.01
COC(=O)C1(CSC2=NN=N[N-]2)CCOCC1	REAL250004572320	1	30	-1.0	-38.06	254.10	2.29	-35.77
CS(=O)(=O)C1(CSC2=N[N-]N=N2)CCCCC1	REAL250004572321	0	32	-1.0	-52.80	264.64	1.39	-51.41
CS(=O)(=O)C1(CSC2=NN=N[N-]2)CCCCC1	REAL250004572321	1	32	-1.0	-52.59	264.23	1.40	-51.19
CN1C(CSC2=NN=N[N-]2)=CN=C1SC(F)(F)F	REAL250004572322	0	24	-1.0	-36.79	260.16	4.25	-32.54
CN1C(CSC2=N[N-]N=N2)=CN=C1SC(F)(F)F	REAL250004572322	1	24	-1.0	-37.17	260.57	4.24	-32.93
COC(=O)C1=CC=C([N+](=O)[O-])C(CSC2=NN=N[N-]2)=C1	REAL250004572323	0	28	-1.0	-46.59	274.16	5.23	-41.36
COC(=O)C1=CC=C([N+](=O)[O-])C(CSC2=N[N-]N=N2)=C1	REAL250004572323	1	28	-1.0	-46.78	274.57	5.23	-41.55
CCC(OCCSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572324	0	33	-1.0	-38.51	294.75	5.84	-32.67
CCC(OCCSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572324	1	33	-1.0	-38.40	294.34	5.84	-32.56
CC(C)OC1=CC=NC(CSC2=N[N-]N=N2)=C1	REAL250004572325	0	29	-1.0	-41.02	263.56	3.17	-37.85
CC(C)OC1=CC=NC(CSC2=NN=N[N-]2)=C1	REAL250004572325	1	29	-1.0	-40.77	263.15	3.17	-37.60
FC(F)(F)OC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572326	0	24	-1.0	-36.58	244.94	3.94	-32.64
FC(F)(F)OC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572326	1	24	-1.0	-36.28	244.53	3.94	-32.34
N#CC1=CC=C(CSC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004572327	0	23	-1.0	-44.92	240.22	4.97	-39.95
N#CC1=CC=C(CSC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004572327	1	23	-1.0	-45.29	240.64	4.96	-40.33
CS(=O)(=O)N1CCC(CSC2=N[N-]N=N2)C1	REAL250004572328	0	28	-1.0	-43.74	261.92	-0.01	-43.75
CS(=O)(=O)N1CCC(CSC2=NN=N[N-]2)C1	REAL250004572328	1	28	-1.0	-43.38	261.51	-0.01	-43.39
CC1=CC=C(C2=NC(CSC3=NN=N[N-]3)=CS2)O1	REAL250004572329	0	26	-1.0	-44.36	267.83	3.77	-40.59
CC1=CC=C(C2=NC(CSC3=N[N-]N=N3)=CS2)O1	REAL250004572329	1	26	-1.0	-44.60	268.25	3.77	-40.83
C1=CC=C(COC2=CC=CC(CSC3=N[N-]N=N3)=C2)N=C1	REAL250004572330	0	33	-1.0	-41.27	302.98	5.73	-35.54
C1=CC=C(COC2=CC=CC(CSC3=NN=N[N-]3)=C2)N=C1	REAL250004572330	1	33	-1.0	-41.05	302.56	5.73	-35.32
FC1=CC=C(SCCSC2=N[N-]N=N2)C(F)=C1	REAL250004572331	0	24	-1.0	-37.60	251.40	5.47	-32.13
FC1=CC=C(SCCSC2=NN=N[N-]2)C(F)=C1	REAL250004572331	1	24	-1.0	-37.51	250.99	5.48	-32.03
O=S1(=O)N=C(CSC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004572332	0	24	-1.0	-47.58	247.54	0.50	-47.08
O=S1(=O)N=C(CSC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004572332	1	24	-1.0	-48.29	247.96	0.49	-47.80
COC1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572333	0	24	-1.0	-41.81	241.37	3.92	-37.89
COC1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572333	1	24	-1.0	-42.03	241.78	3.91	-38.12
COC(=O)CCN1CCCC(SC2=N[N-]N=N2)C1=O	REAL250004572334	0	33	-1.0	-55.68	288.39	3.64	-52.04
COC(=O)CCN1CCCC(SC2=NN=N[N-]2)C1=O	REAL250004572334	1	33	-1.0	-55.48	287.51	3.64	-51.84
FC1(F)OC2=CC=C(CCSC3=N[N-]N=N3)C=C2O1	REAL250004572335	0	26	-1.0	-38.98	260.05	4.03	-34.95
FC1(F)OC2=CC=C(CCSC3=NN=N[N-]3)C=C2O1	REAL250004572335	1	26	-1.0	-38.73	259.64	4.04	-34.69
ClC1=CC=CC(SCCSC2=N[N-]N=N2)=C1	REAL250004572336	0	24	-1.0	-36.96	255.97	5.87	-31.09
ClC1=CC=CC(SCCSC2=NN=N[N-]2)=C1	REAL250004572336	1	24	-1.0	-36.77	255.55	5.89	-30.88
C1=CC=C([C@@H]2CC[C@@H](CSC3=N[N-]N=N3)C2)C=C1	REAL250004572337	0	33	-1.0	-37.81	280.57	7.23	-30.58
C1=CC=C([C@@H]2CC[C@@H](CSC3=NN=N[N-]3)C2)C=C1	REAL250004572337	1	33	-1.0	-37.61	280.15	7.23	-30.38
COC1=CC=CC(SCCSC2=N[N-]N=N2)=C1	REAL250004572338	0	28	-1.0	-39.06	268.72	4.66	-34.40
COC1=CC=CC(SCCSC2=NN=N[N-]2)=C1	REAL250004572338	1	28	-1.0	-39.01	268.31	4.68	-34.33
FC1=CC=CC(CSC2=N[N-]N=N2)=C1OC(F)F	REAL250004572339	0	24	-1.0	-41.82	238.53	3.72	-38.10
FC1=CC=CC(CSC2=NN=N[N-]2)=C1OC(F)F	REAL250004572339	1	24	-1.0	-41.52	238.13	3.72	-37.80
FC1=CC=C(OC(F)F)C(CSC2=N[N-]N=N2)=C1	REAL250004572340	0	24	-1.0	-38.83	243.27	3.85	-34.98
FC1=CC=C(OC(F)F)C(CSC2=NN=N[N-]2)=C1	REAL250004572340	1	24	-1.0	-38.58	242.86	3.86	-34.72
O=C(CSC1=NN=N[N-]1)NC1=CC=C(Cl)N=C1	REAL250004572341	0	23	-1.0	-38.52	243.88	1.08	-37.44
O=C(CSC1=N[N-]N=N1)NC1=CC=C(Cl)N=C1	REAL250004572341	1	23	-1.0	-39.09	244.30	1.07	-38.02
FC(F)(F)C1=CC(CSC2=N[N-]N=N2)=CC=C1Cl	REAL250004572342	0	23	-1.0	-36.04	250.84	5.56	-30.48
FC(F)(F)C1=CC(CSC2=NN=N[N-]2)=CC=C1Cl	REAL250004572342	1	23	-1.0	-35.72	250.43	5.56	-30.16
COC(=O)C(SC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004572343	0	26	-1.0	-41.27	262.99	5.41	-35.86
COC(=O)C(SC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004572343	1	26	-1.0	-41.35	264.38	5.38	-35.97
COC(=O)C1=CC(CSC2=N[N-]N=N2)=CS1	REAL250004572344	0	23	-1.0	-40.66	245.12	3.83	-36.83
COC(=O)C1=CC(CSC2=NN=N[N-]2)=CS1	REAL250004572344	1	23	-1.0	-40.35	244.71	3.83	-36.52
COC(=O)C1=CC=C2NC(CSC3=NN=N[N-]3)=NC2=C1	REAL250004572345	0	29	-1.0	-42.61	279.55	3.46	-39.15
COC(=O)C1=CC=C2NC(CSC3=N[N-]N=N3)=NC2=C1	REAL250004572345	1	29	-1.0	-42.91	279.97	3.45	-39.46
COC1=CC=C(C(C)CSC2=N[N-]N=N2)C=C1	REAL250004572346	0	30	-1.0	-38.69	265.44	4.64	-34.05
COC1=CC=C(C(C)CSC2=NN=N[N-]2)C=C1	REAL250004572346	1	30	-1.0	-38.52	265.03	4.65	-33.87
COC(=O)CCN1CCC(SC2=N[N-]N=N2)C1=O	REAL250004572347	0	30	-1.0	-55.18	274.78	2.97	-52.21
COC(=O)CCN1CCC(SC2=NN=N[N-]2)C1=O	REAL250004572347	1	30	-1.0	-55.00	273.78	2.98	-52.02
COC1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572348	0	24	-1.0	-41.81	241.37	3.92	-37.89
COC1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572348	1	24	-1.0	-42.03	241.78	3.91	-38.12
NC1=NC(Br)=CC=C1CSC1=NN=N[N-]1	REAL250004572349	0	21	-1.0	-35.88	226.43	1.72	-34.16
NC1=NC(Br)=CC=C1CSC1=N[N-]N=N1	REAL250004572349	1	21	-1.0	-36.21	226.85	1.72	-34.49
OC1=CC(CSC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL250004572350	0	24	-1.0	-37.84	248.69	2.28	-35.56
OC1=CC(CSC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL250004572350	1	24	-1.0	-37.52	248.28	2.28	-35.24
CS(=O)(=O)N1CCC(SC2=N[N-]N=N2)CC1	REAL250004572351	0	28	-1.0	-43.77	252.64	0.18	-43.59
CS(=O)(=O)N1CCC(SC2=NN=N[N-]2)CC1	REAL250004572351	1	28	-1.0	-43.43	251.69	0.20	-43.23
FC1(F)OC2=CC=C(CSC3=N[N-]N=N3)C=C2O1	REAL250004572352	0	23	-1.0	-36.47	238.58	3.25	-33.22
FC1(F)OC2=CC=C(CSC3=NN=N[N-]3)C=C2O1	REAL250004572352	1	23	-1.0	-36.16	238.16	3.25	-32.91
N#CC1=CC=C(CSC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL250004572353	0	24	-1.0	-40.19	249.99	5.28	-34.91
N#CC1=CC=C(CSC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL250004572353	1	24	-1.0	-39.86	249.58	5.29	-34.57
CN(C)S(C)(=O)=NC(=O)CSC1=N[N-]N=N1	REAL250004572354	0	27	-1.0	-51.02	261.90	-1.21	-52.23
CN(C)S(C)(=O)=NC(=O)CSC1=NN=N[N-]1	REAL250004572354	1	27	-1.0	-50.77	261.48	-1.22	-51.99
O=C1C(SC2=N[N-]N=N2)CCN1C1CCCCC1	REAL250004572355	0	34	-1.0	-54.05	277.39	4.59	-49.46
O=C1C(SC2=NN=N[N-]2)CCN1C1CCCCC1	REAL250004572355	1	34	-1.0	-53.13	276.89	4.71	-48.42
C1=CC=C(C2=NC=C(CSC3=NN=N[N-]3)C=N2)C=C1	REAL250004572356	0	28	-1.0	-38.35	267.69	5.44	-32.91
C1=CC=C(C2=NC=C(CSC3=N[N-]N=N3)C=N2)C=C1	REAL250004572356	1	28	-1.0	-38.69	268.11	5.43	-33.26
COC(CSC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL250004572357	0	30	-1.0	-38.54	274.12	4.50	-34.04
COC(CSC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004572357	1	30	-1.0	-38.26	273.71	4.51	-33.75
COC(=O)C1=CC=CC(OC)=C1CSC1=NN=N[N-]1	REAL250004572358	0	30	-1.0	-51.45	274.25	3.99	-47.46
COC(=O)C1=CC=CC(OC)=C1CSC1=N[N-]N=N1	REAL250004572358	1	30	-1.0	-51.61	274.67	3.99	-47.62
COCCOCCOCCCSC1=N[N-]N=N1	REAL250004572359	0	34	-1.0	-40.72	305.16	1.53	-39.19
COCCOCCOCCCSC1=NN=N[N-]1	REAL250004572359	1	34	-1.0	-40.45	304.75	1.54	-38.91
O=C(CSC1=N[N-]N=N1)NC1=CC=C(Cl)C(F)=C1	REAL250004572360	0	24	-1.0	-37.92	254.87	2.97	-34.95
O=C(CSC1=NN=N[N-]1)NC1=CC=C(Cl)C(F)=C1	REAL250004572360	1	24	-1.0	-37.40	254.46	2.98	-34.42
C[C@@H](NC(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572361	0	30	-1.0	-39.59	275.85	3.35	-36.24
C[C@@H](NC(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572361	1	30	-1.0	-39.15	275.44	3.36	-35.79
COC1=CC=C(C2=NOC(CSC3=NN=N[N-]3)=C2)C=C1	REAL250004572362	0	30	-1.0	-38.25	282.94	4.59	-33.66
COC1=CC=C(C2=NOC(CSC3=N[N-]N=N3)=C2)C=C1	REAL250004572362	1	30	-1.0	-38.60	283.35	4.59	-34.01
COC(CSC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004572363	0	27	-1.0	-38.71	252.38	3.76	-34.95
COC(CSC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004572363	1	27	-1.0	-38.53	251.98	3.76	-34.77
CS(=O)(=O)C1=CC(CSC2=N[N-]N=N2)=CO1	REAL250004572364	0	23	-1.0	-46.77	242.97	-0.32	-47.09
CS(=O)(=O)C1=CC(CSC2=NN=N[N-]2)=CO1	REAL250004572364	1	23	-1.0	-46.35	242.56	-0.32	-46.67
CC(C)(C)OC(=O)CN1CCC(SC2=N[N-]N=N2)C1=O	REAL250004572365	0	36	-1.0	-55.71	309.68	4.56	-51.15
CC(C)(C)OC(=O)CN1CCC(SC2=NN=N[N-]2)C1=O	REAL250004572365	1	36	-1.0	-57.56	309.24	4.68	-52.88
FC(F)(F)C1=NC=CC=C1CSC1=NN=N[N-]1	REAL250004572366	0	22	-1.0	-42.25	224.93	3.24	-39.01
FC(F)(F)C1=NC=CC=C1CSC1=N[N-]N=N1	REAL250004572366	1	22	-1.0	-42.49	225.35	3.23	-39.26
FC1(F)OC2=CC=CC(CSC3=N[N-]N=N3)=C2O1	REAL250004572367	0	23	-1.0	-42.09	238.53	3.24	-38.85
FC1(F)OC2=CC=CC(CSC3=NN=N[N-]3)=C2O1	REAL250004572367	1	23	-1.0	-41.84	238.12	3.24	-38.60
COC1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004572368	0	28	-1.0	-41.63	258.16	3.63	-38.00
COC1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004572368	1	28	-1.0	-41.59	257.75	3.63	-37.96
BrC1=C(CSC2=N[N-]N=N2)N=CS1	REAL250004572369	0	16	-1.0	-39.73	203.44	1.79	-37.94
BrC1=C(CSC2=NN=N[N-]2)N=CS1	REAL250004572369	1	16	-1.0	-39.55	203.03	1.80	-37.75
O=[N+]([O-])C1=CC(F)=CC=C1CSC1=NN=N[N-]1	REAL250004572370	0	22	-1.0	-42.86	228.41	4.77	-38.09
O=[N+]([O-])C1=CC(F)=CC=C1CSC1=N[N-]N=N1	REAL250004572370	1	22	-1.0	-43.14	228.82	4.77	-38.37
CNS(=O)(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572371	0	28	-1.0	-42.24	275.54	0.32	-41.92
CNS(=O)(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572371	1	28	-1.0	-41.90	275.13	0.32	-41.58
CC(C)(C)OC(=O)N1CC(CCSC2=N[N-]N=N2)C1	REAL250004572372	0	37	-1.0	-41.79	315.95	4.28	-37.51
CC(C)(C)OC(=O)N1CC(CCSC2=NN=N[N-]2)C1	REAL250004572372	1	37	-1.0	-41.43	315.54	4.30	-37.13
O=C1C[C@@H]2CCCC[C@]2(CSC2=N[N-]N=N2)O1	REAL250004572373	0	30	-1.0	-44.48	254.25	4.53	-39.95
O=C1C[C@@H]2CCCC[C@]2(CSC2=NN=N[N-]2)O1	REAL250004572373	1	30	-1.0	-44.13	253.83	4.54	-39.59
ClC1=CC=CC(CCCCSC2=N[N-]N=N2)=C1	REAL250004572374	0	29	-1.0	-38.30	280.17	7.00	-31.30
ClC1=CC=CC(CCCCSC2=NN=N[N-]2)=C1	REAL250004572374	1	29	-1.0	-38.07	279.75	7.01	-31.06
ClC1=CC=CC=C1C#CCSC1=N[N-]N=N1	REAL250004572375	0	22	-1.0	-39.11	242.01	6.08	-33.03
ClC1=CC=CC=C1C#CCSC1=NN=N[N-]1	REAL250004572375	1	22	-1.0	-38.87	241.59	6.08	-32.79
ClC1=CC=C(C#CCSC2=N[N-]N=N2)C=C1	REAL250004572376	0	22	-1.0	-35.88	243.34	6.15	-29.73
ClC1=CC=C(C#CCSC2=NN=N[N-]2)C=C1	REAL250004572376	1	22	-1.0	-35.60	242.93	6.15	-29.45
CC(C)(C)N1N=NC(CCSC2=N[N-]N=N2)=N1	REAL250004572377	0	30	-1.0	-42.21	273.80	2.66	-39.55
CC(C)(C)N1N=NC(CCSC2=NN=N[N-]2)=N1	REAL250004572377	1	30	-1.0	-42.15	273.39	2.67	-39.48
ClC1=CC=CC(C#CCSC2=N[N-]N=N2)=C1	REAL250004572378	0	22	-1.0	-37.02	243.34	6.14	-30.88
ClC1=CC=CC(C#CCSC2=NN=N[N-]2)=C1	REAL250004572378	1	22	-1.0	-36.80	242.93	6.14	-30.66
ClC1=C(CSC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004572379	0	23	-1.0	-38.85	242.65	5.10	-33.75
ClC1=C(CSC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004572379	1	23	-1.0	-39.03	243.07	5.08	-33.95
O=C(CSC1=NN=N[N-]1)C1=CNC2=CC=C(F)C=C12	REAL250004572380	0	26	-1.0	-46.98	256.51	4.15	-42.83
O=C(CSC1=N[N-]N=N1)C1=CNC2=CC=C(F)C=C12	REAL250004572380	1	26	-1.0	-47.63	256.92	4.15	-43.48
O=S(=O)(CCSC1=N[N-]N=N1)C1CCCCC1	REAL250004572381	0	32	-1.0	-47.12	282.81	2.06	-45.06
O=S(=O)(CCSC1=NN=N[N-]1)C1CCCCC1	REAL250004572381	1	32	-1.0	-47.14	282.40	2.07	-45.07
C1=C(CSC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004572382	0	26	-1.0	-38.87	255.20	2.80	-36.07
C1=C(CSC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004572382	1	26	-1.0	-39.20	255.61	2.80	-36.40
COC1=NC=C(CSC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004572383	0	29	-1.0	-39.58	267.47	3.03	-36.55
COC1=NC=C(CSC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004572383	1	29	-1.0	-39.93	267.89	3.03	-36.90
CN(C)C1=NC=C(CSC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004572384	0	33	-1.0	-39.79	292.94	5.09	-34.70
CN(C)C1=NC=C(CSC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004572384	1	33	-1.0	-39.58	292.53	5.09	-34.49
FC1=CN2C(CSC3=N[N-]N=N3)=CN=C2C=C1	REAL250004572385	0	23	-1.0	-39.47	232.19	4.62	-34.85
FC1=CN2C(CSC3=NN=N[N-]3)=CN=C2C=C1	REAL250004572385	1	23	-1.0	-39.19	231.78	4.62	-34.57
CC(C)(C)OC(=O)C(SC1=N[N-]N=N1)C1CC1	REAL250004572386	0	32	-1.0	-43.17	279.12	5.41	-37.76
CC(C)(C)OC(=O)C(SC1=NN=N[N-]1)C1CC1	REAL250004572386	1	32	-1.0	-42.90	278.29	5.43	-37.47
C1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=N2)O1	REAL250004572388	0	25	-1.0	-46.84	250.59	0.64	-46.20
C1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=N2)O1	REAL250004572388	1	25	-1.0	-47.05	251.00	0.63	-46.42
CC1=CC=CC=C1SCC(C)CSC1=N[N-]N=N1	REAL250004572389	0	33	-1.0	-37.79	296.00	7.21	-30.58
CC1=CC=CC=C1SCC(C)CSC1=NN=N[N-]1	REAL250004572389	1	33	-1.0	-37.50	295.59	7.22	-30.28
BrC1=CN=CC=C1CSC1=N[N-]N=N1	REAL250004572390	0	19	-1.0	-37.27	212.17	2.89	-34.38
BrC1=CN=CC=C1CSC1=NN=N[N-]1	REAL250004572390	1	19	-1.0	-36.96	211.76	2.90	-34.06
CCOC(=O)C1=NOC(CSC2=N[N-]N=N2)=C1	REAL250004572391	0	25	-1.0	-36.21	252.89	3.21	-33.00
CCOC(=O)C1=NOC(CSC2=NN=N[N-]2)=C1	REAL250004572391	1	25	-1.0	-35.85	252.48	3.21	-32.64
CCCN(CC(F)(F)F)C(=O)CSC1=N[N-]N=N1	REAL250004572392	0	29	-1.0	-41.16	271.59	3.61	-37.55
CCCN(CC(F)(F)F)C(=O)CSC1=NN=N[N-]1	REAL250004572392	1	29	-1.0	-40.68	271.17	3.61	-37.07
CC(C)(C(=O)CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572393	0	31	-1.0	-39.38	271.49	5.57	-33.81
CC(C)(C(=O)CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572393	1	31	-1.0	-38.90	271.08	5.58	-33.32
FC1=CC=CC=C1C1=NC(CSC2=NN=N[N-]2)=CO1	REAL250004572394	0	26	-1.0	-45.98	259.70	2.88	-43.10
FC1=CC=CC=C1C1=NC(CSC2=N[N-]N=N2)=CO1	REAL250004572394	1	26	-1.0	-46.24	260.11	2.88	-43.36
FC(F)(F)C1=CC=CN=C1CSC1=N[N-]N=N1	REAL250004572395	0	22	-1.0	-43.36	224.41	3.06	-40.30
FC(F)(F)C1=CC=CN=C1CSC1=NN=N[N-]1	REAL250004572395	1	22	-1.0	-43.18	224.00	3.06	-40.12
COC(=O)C1=CN=C(CSC2=N[N-]N=N2)C=N1	REAL250004572396	0	24	-1.0	-37.93	244.51	1.03	-36.90
COC(=O)C1=CN=C(CSC2=NN=N[N-]2)C=N1	REAL250004572396	1	24	-1.0	-37.55	244.10	1.04	-36.51
CCOC(=O)C(CC1=CC=C(F)C=C1)SC1=NN=N[N-]1	REAL250004572397	0	32	-1.0	-38.17	294.70	6.78	-31.39
CCOC(=O)C(CC1=CC=C(F)C=C1)SC1=N[N-]N=N1	REAL250004572397	1	32	-1.0	-38.62	295.97	6.71	-31.91
COC(=O)C1=COC(C(C)SC2=N[N-]N=N2)=N1	REAL250004572398	0	25	-1.0	-38.30	248.36	0.15	-38.15
COC(=O)C1=COC(C(C)SC2=NN=N[N-]2)=N1	REAL250004572398	1	25	-1.0	-38.04	247.41	0.15	-37.89
COC1=CC=CC(C2=NC(CSC3=NN=N[N-]3)=CO2)=C1	REAL250004572399	0	30	-1.0	-42.19	284.67	1.84	-40.35
COC1=CC=CC(C2=NC(CSC3=N[N-]N=N3)=CO2)=C1	REAL250004572399	1	30	-1.0	-42.43	285.08	1.84	-40.59
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(OC)=C1	REAL250004572400	0	30	-1.0	-45.25	275.69	4.20	-41.05
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(OC)=C1	REAL250004572400	1	30	-1.0	-45.26	277.09	4.15	-41.11
CC1=CC=C2SC(CSC3=NN=N[N-]3)=NC2=C1	REAL250004572401	0	25	-1.0	-40.32	251.55	4.22	-36.10
CC1=CC=C2SC(CSC3=N[N-]N=N3)=NC2=C1	REAL250004572401	1	25	-1.0	-40.57	251.96	4.22	-36.35
CCN(CC(F)(F)F)C(=O)CSC1=N[N-]N=N1	REAL250004572402	0	26	-1.0	-40.39	252.13	2.92	-37.47
CCN(CC(F)(F)F)C(=O)CSC1=NN=N[N-]1	REAL250004572402	1	26	-1.0	-39.91	251.71	2.93	-36.98
CCC1=CC=C(C(CC(C)C)SC2=NN=N[N-]2)C=C1	REAL250004572403	0	38	-1.0	-38.92	310.78	7.80	-31.12
CCC1=CC=C(C(CC(C)C)SC2=N[N-]N=N2)C=C1	REAL250004572403	1	38	-1.0	-39.41	317.16	8.11	-31.30
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O=C1C2=CC=CC=C2C(=O)N1CC#CCSC1=NN=N[N-]1	REAL250004572404	1	29	-1.0	-44.68	292.45	5.24	-39.44
CC(SC1=N[N-]N=N1)C(=O)N[C@H](C)C1=CC=CC=C1	REAL250004572405	0	33	-1.0	-39.97	293.11	4.05	-35.92
CC(SC1=NN=N[N-]1)C(=O)N[C@H](C)C1=CC=CC=C1	REAL250004572405	1	33	-1.0	-39.42	292.16	4.05	-35.37
CC1=CC=CN=C1NC(=O)CSC1=NN=N[N-]1	REAL250004572406	0	26	-1.0	-44.32	245.97	2.89	-41.43
CC1=CC=CN=C1NC(=O)CSC1=N[N-]N=N1	REAL250004572406	1	26	-1.0	-44.76	246.38	2.88	-41.88
COC(=O)C1=CC(C(=O)CSC2=N[N-]N=N2)=C(C)N1	REAL250004572408	0	29	-1.0	-43.70	280.75	3.05	-40.65
COC(=O)C1=CC(C(=O)CSC2=NN=N[N-]2)=C(C)N1	REAL250004572408	1	29	-1.0	-43.47	280.34	3.05	-40.42
CN1N=CC(Br)=C1CSC1=N[N-]N=N1	REAL250004572409	0	20	-1.0	-36.09	220.00	2.27	-33.82
CN1N=CC(Br)=C1CSC1=NN=N[N-]1	REAL250004572409	1	20	-1.0	-35.80	219.59	2.29	-33.51
CN1C(=O)OC2=CC=C(CSC3=NN=N[N-]3)C=C21	REAL250004572410	0	26	-1.0	-39.35	252.70	4.11	-35.24
CN1C(=O)OC2=CC=C(CSC3=N[N-]N=N3)C=C21	REAL250004572410	1	26	-1.0	-39.73	253.11	4.10	-35.63
COC1=CC=CC=C1C1=NC(CSC2=NN=N[N-]2)=CO1	REAL250004572411	0	30	-1.0	-44.26	282.47	2.72	-41.54
COC1=CC=CC=C1C1=NC(CSC2=N[N-]N=N2)=CO1	REAL250004572411	1	30	-1.0	-44.51	282.88	2.72	-41.79
CC1=C(CSC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004572412	0	29	-1.0	-39.16	274.89	3.34	-35.82
CC1=C(CSC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004572412	1	29	-1.0	-39.46	275.30	3.34	-36.12
FC1=CC(Br)=CN=C1CSC1=N[N-]N=N1	REAL250004572413	0	19	-1.0	-37.83	220.60	2.92	-34.91
FC1=CC(Br)=CN=C1CSC1=NN=N[N-]1	REAL250004572413	1	19	-1.0	-37.64	220.18	2.93	-34.71
C1=CC=C(C2=NC=C(CSC3=NN=N[N-]3)C=N2)C=C1	REAL250004572414	0	28	-1.0	-38.35	267.69	5.44	-32.91
C1=CC=C(C2=NC=C(CSC3=N[N-]N=N3)C=N2)C=C1	REAL250004572414	1	28	-1.0	-38.69	268.11	5.43	-33.26
FC1=C(Cl)C=C(Cl)C=C1CSC1=N[N-]N=N1	REAL250004572415	0	20	-1.0	-36.46	237.17	5.18	-31.28
FC1=C(Cl)C=C(Cl)C=C1CSC1=NN=N[N-]1	REAL250004572415	1	20	-1.0	-36.19	236.75	5.18	-31.01
CCOC(=O)C1=NC=C(CSC2=NN=N[N-]2)S1	REAL250004572416	0	25	-1.0	-36.48	262.02	2.98	-33.50
CCOC(=O)C1=NC=C(CSC2=N[N-]N=N2)S1	REAL250004572416	1	25	-1.0	-36.82	262.43	2.97	-33.85
CC1=NC=C(CNC(=O)CCSC2=N[N-]N=N2)S1	REAL250004572417	0	29	-1.0	-45.00	286.74	1.27	-43.73
CC1=NC=C(CNC(=O)CCSC2=NN=N[N-]2)S1	REAL250004572417	1	29	-1.0	-44.98	286.33	1.28	-43.70
CN1C=C(CSC2=NN=N[N-]2)C(Br)=N1	REAL250004572418	0	20	-1.0	-41.10	222.24	2.39	-38.71
CN1C=C(CSC2=N[N-]N=N2)C(Br)=N1	REAL250004572418	1	20	-1.0	-41.43	222.65	2.38	-39.05
C(SC1=N[N-]N=N1)C1CC2(CO1)CCOCC2	REAL250004572419	0	32	-1.0	-39.95	264.41	1.93	-38.02
C(SC1=NN=N[N-]1)C1CC2(CO1)CCOCC2	REAL250004572419	1	32	-1.0	-39.65	263.99	1.95	-37.70
CCC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(C)C=C1	REAL250004572420	0	33	-1.0	-40.02	286.57	4.81	-35.21
CCC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(C)C=C1	REAL250004572420	1	33	-1.0	-40.46	287.32	4.80	-35.66
O=[N+]([O-])C1=CC=C(OCCCSC2=N[N-]N=N2)C=C1	REAL250004572421	0	29	-1.0	-39.26	278.61	5.18	-34.08
O=[N+]([O-])C1=CC=C(OCCCSC2=NN=N[N-]2)C=C1	REAL250004572421	1	29	-1.0	-38.88	278.20	5.19	-33.69
CCC(SC1=NN=N[N-]1)C(=O)N(C)C1=CC=C(C)C=C1	REAL250004572422	0	36	-1.0	-40.49	307.83	6.07	-34.42
CCC(SC1=N[N-]N=N1)C(=O)N(C)C1=CC=C(C)C=C1	REAL250004572422	1	36	-1.0	-40.93	308.74	6.05	-34.88
COC(=O)C1=CSC(CSC2=N[N-]N=N2)=C1	REAL250004572423	0	23	-1.0	-40.35	245.37	3.90	-36.45
COC(=O)C1=CSC(CSC2=NN=N[N-]2)=C1	REAL250004572423	1	23	-1.0	-40.06	244.96	3.91	-36.15
BrC1=CN=CC=C1CSC1=N[N-]N=N1	REAL250004572424	0	19	-1.0	-37.27	212.17	2.89	-34.38
BrC1=CN=CC=C1CSC1=NN=N[N-]1	REAL250004572424	1	19	-1.0	-36.96	211.76	2.90	-34.06
CCOC(=O)C1=NC=C(CSC2=NN=N[N-]2)S1	REAL250004572425	0	25	-1.0	-36.48	262.02	2.98	-33.50
CCOC(=O)C1=NC=C(CSC2=N[N-]N=N2)S1	REAL250004572425	1	25	-1.0	-36.82	262.43	2.97	-33.85
FC1(F)OC2=CC=CC(CCSC3=N[N-]N=N3)=C2O1	REAL250004572426	0	26	-1.0	-42.43	260.05	4.02	-38.41
FC1(F)OC2=CC=CC(CCSC3=NN=N[N-]3)=C2O1	REAL250004572426	1	26	-1.0	-42.22	259.63	4.03	-38.19
COC(=O)C(SC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004572427	0	27	-1.0	-42.94	267.06	5.27	-37.67
COC(=O)C(SC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004572427	1	27	-1.0	-43.03	268.46	5.24	-37.79
ClC1=CN=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572428	0	19	-1.0	-36.61	222.40	3.23	-33.38
ClC1=CN=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572428	1	19	-1.0	-36.37	221.99	3.23	-33.14
CCOC(=O)C1=C(C)C=CN=C1CSC1=NN=N[N-]1	REAL250004572429	0	31	-1.0	-46.25	289.46	4.48	-41.77
CCOC(=O)C1=C(C)C=CN=C1CSC1=N[N-]N=N1	REAL250004572429	1	31	-1.0	-46.32	289.87	4.48	-41.84
CC1=CC=CC(Cl)=C1NC(=O)C(C)SC1=N[N-]N=N1	REAL250004572430	0	30	-1.0	-41.09	289.49	4.70	-36.39
CC1=CC=CC(Cl)=C1NC(=O)C(C)SC1=NN=N[N-]1	REAL250004572430	1	30	-1.0	-40.65	288.54	4.70	-35.95
CC1=CC=C(CSC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004572431	0	25	-1.0	-40.15	242.72	5.34	-34.81
CC1=CC=C(CSC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004572431	1	25	-1.0	-40.50	243.13	5.34	-35.16
O=C1NC(CSC2=N[N-]N=N2)=NC2=C1COCC2	REAL250004572432	0	27	-1.0	-38.52	250.22	0.49	-38.03
O=C1NC(CSC2=NN=N[N-]2)=NC2=C1COCC2	REAL250004572432	1	27	-1.0	-38.15	249.81	0.50	-37.65
COC(=O)C1=CC=C(OC)C(CSC2=NN=N[N-]2)=C1	REAL250004572433	0	30	-1.0	-44.87	281.40	4.18	-40.69
COC(=O)C1=CC=C(OC)C(CSC2=N[N-]N=N2)=C1	REAL250004572433	1	30	-1.0	-45.05	281.81	4.17	-40.88
CN1C=CC(C2=NC(CSC3=NN=N[N-]3)=CS2)=N1	REAL250004572434	0	26	-1.0	-48.68	268.17	2.59	-46.09
CN1C=CC(C2=NC(CSC3=N[N-]N=N3)=CS2)=N1	REAL250004572434	1	26	-1.0	-48.93	268.58	2.59	-46.34
CN1C=CN2C(CSC3=NN=N[N-]3)=NN=C2C1=O	REAL250004572435	0	25	-1.0	-47.51	245.83	3.27	-44.24
CN1C=CN2C(CSC3=N[N-]N=N3)=NN=C2C1=O	REAL250004572435	1	25	-1.0	-47.83	246.24	3.27	-44.56
N#CC1=CC=CC(C2=NC(CSC3=NN=N[N-]3)=CO2)=C1	REAL250004572436	0	27	-1.0	-42.05	276.03	2.92	-39.13
N#CC1=CC=CC(C2=NC(CSC3=N[N-]N=N3)=CO2)=C1	REAL250004572436	1	27	-1.0	-42.34	276.44	2.92	-39.42
O=C1NC=CN2C(CSC3=NN=N[N-]3)=NN=C12	REAL250004572437	0	22	-1.0	-47.15	225.38	1.40	-45.75
O=C1NC=CN2C(CSC3=N[N-]N=N3)=NN=C12	REAL250004572437	1	22	-1.0	-47.47	225.79	1.40	-46.07
O=[N+]([O-])C1=CC(Cl)=CC=C1CSC1=NN=N[N-]1	REAL250004572438	0	22	-1.0	-42.66	238.74	5.22	-37.44
O=[N+]([O-])C1=CC(Cl)=CC=C1CSC1=N[N-]N=N1	REAL250004572438	1	22	-1.0	-42.87	239.15	5.22	-37.65
ClC1=CC2=NC(CSC3=NN=N[N-]3)=CC=C2C=C1	REAL250004572439	0	25	-1.0	-42.10	256.57	4.94	-37.16
ClC1=CC2=NC(CSC3=N[N-]N=N3)=CC=C2C=C1	REAL250004572439	1	25	-1.0	-42.34	256.98	4.94	-37.40
O[C@@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572440	0	24	-1.0	-38.02	259.65	2.78	-35.24
O[C@@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572440	1	24	-1.0	-37.67	259.23	2.78	-34.89
O[C@H](CSC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572441	0	24	-1.0	-38.12	260.06	2.75	-35.37
O[C@H](CSC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL250004572441	1	24	-1.0	-37.85	259.64	2.75	-35.10
C1=CC=C(C2CCC(CSC3=N[N-]N=N3)O2)C=C1	REAL250004572442	0	31	-1.0	-40.72	275.80	5.35	-35.37
C1=CC=C(C2CCC(CSC3=NN=N[N-]3)O2)C=C1	REAL250004572442	1	31	-1.0	-40.37	275.39	5.36	-35.01
CC1=C(Br)SC(CSC2=N[N-]N=N2)=N1	REAL250004572443	0	19	-1.0	-35.77	225.38	2.52	-33.25
CC1=C(Br)SC(CSC2=NN=N[N-]2)=N1	REAL250004572443	1	19	-1.0	-35.48	224.97	2.53	-32.95
CC1=CC(Br)=CC=C1CSC1=N[N-]N=N1	REAL250004572444	0	23	-1.0	-36.00	237.31	5.29	-30.71
CC1=CC(Br)=CC=C1CSC1=NN=N[N-]1	REAL250004572444	1	23	-1.0	-35.71	236.89	5.29	-30.42
C(SC1=N[N-]N=N1)C1CCC2(CCOCC2)O1	REAL250004572445	0	32	-1.0	-40.54	268.60	2.45	-38.09
C(SC1=NN=N[N-]1)C1CCC2(CCOCC2)O1	REAL250004572445	1	32	-1.0	-40.19	268.18	2.45	-37.74
C1=CC=C(C2CCCC(CSC3=N[N-]N=N3)O2)C=C1	REAL250004572446	0	34	-1.0	-39.83	286.87	5.87	-33.96
C1=CC=C(C2CCCC(CSC3=NN=N[N-]3)O2)C=C1	REAL250004572446	1	34	-1.0	-39.54	286.45	5.87	-33.67
C(SC1=N[N-]N=N1)C1CCC2(CCOCC2)CO1	REAL250004572447	0	35	-1.0	-39.03	276.95	2.63	-36.40
C(SC1=NN=N[N-]1)C1CCC2(CCOCC2)CO1	REAL250004572447	1	35	-1.0	-38.74	276.53	2.64	-36.10
BrC1=CC=CC=C1CCSC1=N[N-]N=N1	REAL250004572448	0	23	-1.0	-39.02	236.53	5.37	-33.65
BrC1=CC=CC=C1CCSC1=NN=N[N-]1	REAL250004572448	1	23	-1.0	-38.82	236.12	5.37	-33.45
OC(CSC1=N[N-]N=N1)C1=CC(Br)=NO1	REAL250004572449	0	20	-1.0	-38.06	227.51	-0.18	-38.24
OC(CSC1=NN=N[N-]1)C1=CC(Br)=NO1	REAL250004572449	1	20	-1.0	-37.81	227.09	-0.18	-37.99
O=[N+]([O-])C1=CC=C(F)C=C1CSC1=NN=N[N-]1	REAL250004572450	0	22	-1.0	-43.49	225.85	4.65	-38.84
O=[N+]([O-])C1=CC=C(F)C=C1CSC1=N[N-]N=N1	REAL250004572450	1	22	-1.0	-43.72	226.27	4.65	-39.07
OC1=CC=CC(C2=NN=C(CSC3=NN=N[N-]3)O2)=C1	REAL250004572451	0	26	-1.0	-39.57	261.09	-2.74	-42.31
OC1=CC=CC(C2=NN=C(CSC3=N[N-]N=N3)O2)=C1	REAL250004572451	1	26	-1.0	-39.83	261.50	-2.76	-42.59
OC1=CC=CC=C1C1=NN=C(CSC2=NN=N[N-]2)O1	REAL250004572452	0	26	-1.0	-40.65	258.87	-2.33	-42.98
OC1=CC=CC=C1C1=NN=C(CSC2=N[N-]N=N2)O1	REAL250004572452	1	26	-1.0	-40.90	259.28	-2.34	-43.24
C1=CC=C(C2=NN=C(CSC3=NN=N[N-]3)O2)C=C1	REAL250004572453	0	25	-1.0	-38.57	250.07	0.11	-38.46
C1=CC=C(C2=NN=C(CSC3=N[N-]N=N3)O2)C=C1	REAL250004572453	1	25	-1.0	-38.88	250.48	0.10	-38.78
O=C1NC=C(CSC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004572454	0	26	-1.0	-40.65	245.95	3.24	-37.41
O=C1NC=C(CSC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004572454	1	26	-1.0	-41.01	246.37	3.23	-37.78
ClC1=CC=NC2=C1CCCC2SC1=NN=N[N-]1	REAL250004572455	0	26	-1.0	-43.26	240.23	5.47	-37.79
ClC1=CC=NC2=C1CCCC2SC1=N[N-]N=N1	REAL250004572455	1	26	-1.0	-43.55	241.09	5.41	-38.14
CC(C)(C)S(=O)(=O)CCCSC1=N[N-]N=N1	REAL250004572456	0	31	-1.0	-43.99	279.43	1.45	-42.54
CC(C)(C)S(=O)(=O)CCCSC1=NN=N[N-]1	REAL250004572456	1	31	-1.0	-43.52	279.02	1.46	-42.06
COC1=CC=C([N+](=O)[O-])C=C1CSC1=NN=N[N-]1	REAL250004572457	0	26	-1.0	-41.99	254.90	4.18	-37.81
COC1=CC=C([N+](=O)[O-])C=C1CSC1=N[N-]N=N1	REAL250004572457	1	26	-1.0	-42.25	255.32	4.17	-38.08
FC(F)(F)C1=COC(CSC2=N[N-]N=N2)=C1	REAL250004572458	0	20	-1.0	-36.56	220.51	3.32	-33.24
FC(F)(F)C1=COC(CSC2=NN=N[N-]2)=C1	REAL250004572458	1	20	-1.0	-36.24	220.10	3.32	-32.92
CC1=CC2=CC=C(C)C(CSC3=NN=N[N-]3)=C2C=C1	REAL250004572459	0	32	-1.0	-41.10	279.29	7.48	-33.62
CC1=CC2=CC=C(C)C(CSC3=N[N-]N=N3)=C2C=C1	REAL250004572459	1	32	-1.0	-41.27	279.70	7.48	-33.79
CC1=NC=C([N+](=O)[O-])N1CCSC1=N[N-]N=N1	REAL250004572460	0	25	-1.0	-41.15	247.56	4.96	-36.19
CC1=NC=C([N+](=O)[O-])N1CCSC1=NN=N[N-]1	REAL250004572460	1	25	-1.0	-41.07	247.15	4.96	-36.11
CC(=O)C(C#N)(CCSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572461	0	32	-1.0	-49.74	293.53	5.70	-44.04
CC(=O)C(C#N)(CCSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572461	1	32	-1.0	-49.78	293.12	5.70	-44.08
COC1=CC=C2OC(CSC3=N[N-]N=N3)CC2=C1	REAL250004572462	0	29	-1.0	-40.42	263.90	3.40	-37.02
COC1=CC=C2OC(CSC3=NN=N[N-]3)CC2=C1	REAL250004572462	1	29	-1.0	-40.16	263.49	3.41	-36.75
ClC1=CC2=CC=CC=C2C(CSC2=NN=N[N-]2)=C1	REAL250004572463	0	26	-1.0	-38.60	257.71	6.79	-31.81
ClC1=CC2=CC=CC=C2C(CSC2=N[N-]N=N2)=C1	REAL250004572463	1	26	-1.0	-38.85	258.12	6.78	-32.07
N#CC1=CC(Cl)=CC(CSC2=NN=N[N-]2)=C1	REAL250004572464	0	21	-1.0	-36.39	236.12	5.04	-31.35
N#CC1=CC(Cl)=CC(CSC2=N[N-]N=N2)=C1	REAL250004572464	1	21	-1.0	-36.76	236.53	5.04	-31.72
BrC1=C(CSC2=N[N-]N=N2)SN=C1	REAL250004572465	0	16	-1.0	-34.74	203.72	2.51	-32.23
BrC1=C(CSC2=NN=N[N-]2)SN=C1	REAL250004572465	1	16	-1.0	-34.49	203.31	2.51	-31.98
C(SC1=N[N-]N=N1)C1(C2CCCCO2)CCC1	REAL250004572466	0	34	-1.0	-36.86	273.21	4.73	-32.13
C(SC1=NN=N[N-]1)C1(C2CCCCO2)CCC1	REAL250004572466	1	34	-1.0	-36.64	272.79	4.75	-31.89
ClC1=CC=NC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572467	0	19	-1.0	-39.79	223.44	3.18	-36.61
ClC1=CC=NC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572467	1	19	-1.0	-39.56	223.03	3.19	-36.37
CC(COCC1=CC=CC=C1)CSC1=N[N-]N=N1	REAL250004572468	0	33	-1.0	-37.94	294.04	5.59	-32.35
CC(COCC1=CC=CC=C1)CSC1=NN=N[N-]1	REAL250004572468	1	33	-1.0	-37.66	293.62	5.60	-32.06
BrC1=CC=C(OCSC2=N[N-]N=N2)C=C1	REAL250004572469	0	21	-1.0	-38.00	225.89	3.43	-34.57
BrC1=CC=C(OCSC2=NN=N[N-]2)C=C1	REAL250004572469	1	21	-1.0	-37.71	225.15	3.46	-34.25
BrC1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572470	0	19	-1.0	-40.62	215.40	2.80	-37.82
BrC1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572470	1	19	-1.0	-40.31	214.98	2.80	-37.51
COC(=O)C1=CC=NC(SCSC2=NN=N[N-]2)=N1	REAL250004572471	0	25	-1.0	-42.41	263.20	2.95	-39.46
COC(=O)C1=CC=NC(SCSC2=N[N-]N=N2)=N1	REAL250004572471	1	25	-1.0	-42.64	264.28	2.93	-39.71
FC1=CC=C(C(F)(F)CSC2=N[N-]N=N2)C=C1	REAL250004572472	0	23	-1.0	-35.80	236.34	5.06	-30.74
FC1=CC=C(C(F)(F)CSC2=NN=N[N-]2)C=C1	REAL250004572472	1	23	-1.0	-35.44	235.93	5.06	-30.38
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CSC1=N[N-]N=N1	REAL250004572473	0	40	-1.0	-41.34	330.89	4.83	-36.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CSC1=NN=N[N-]1	REAL250004572473	1	40	-1.0	-40.93	330.47	4.83	-36.10
FC(F)(F)C1CCC(CSC2=N[N-]N=N2)O1	REAL250004572474	0	24	-1.0	-40.19	235.19	2.66	-37.53
FC(F)(F)C1CCC(CSC2=NN=N[N-]2)O1	REAL250004572474	1	24	-1.0	-39.68	234.77	2.68	-37.00
FC1(F)[C@@H](C2=CC=CC=C2)[C@@H]1CSC1=N[N-]N=N1	REAL250004572475	0	27	-1.0	-37.86	257.12	6.28	-31.58
FC1(F)[C@@H](C2=CC=CC=C2)[C@@H]1CSC1=NN=N[N-]1	REAL250004572475	1	27	-1.0	-37.59	256.71	6.29	-31.30
CCC1=C(CSC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004572476	0	32	-1.0	-41.32	273.34	7.32	-34.00
CCC1=C(CSC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004572476	1	32	-1.0	-41.52	273.76	7.32	-34.20
CCSC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572477	0	27	-1.0	-42.00	257.31	5.91	-36.09
CCSC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572477	1	27	-1.0	-42.19	257.72	5.91	-36.28
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CSC2=N[N-]N=N2)C1	REAL250004572478	0	40	-1.0	-40.00	329.44	3.60	-36.40
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CSC2=NN=N[N-]2)C1	REAL250004572478	1	40	-1.0	-39.67	329.03	3.60	-36.07
CC1=CC(CSC2=NN=N[N-]2)=CN=C1Br	REAL250004572479	0	22	-1.0	-36.20	233.09	3.43	-32.77
CC1=CC(CSC2=N[N-]N=N2)=CN=C1Br	REAL250004572479	1	22	-1.0	-36.55	233.50	3.42	-33.13
CN1N=C(CSC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004572480	0	23	-1.0	-37.72	237.69	2.57	-35.15
CN1N=C(CSC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004572480	1	23	-1.0	-37.43	237.28	2.57	-34.86
CC1=CN2C(=NC(CSC3=NN=N[N-]3)=CC2=O)S1	REAL250004572481	0	25	-1.0	-42.67	257.10	3.97	-38.70
CC1=CN2C(=NC(CSC3=N[N-]N=N3)=CC2=O)S1	REAL250004572481	1	25	-1.0	-42.86	257.51	3.97	-38.89
COC(=O)C1=CN=CC(CSC2=NN=N[N-]2)=C1	REAL250004572482	0	25	-1.0	-39.17	248.36	3.01	-36.16
COC(=O)C1=CN=CC(CSC2=N[N-]N=N2)=C1	REAL250004572482	1	25	-1.0	-39.49	248.77	3.00	-36.49
FC(F)(F)C1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572483	0	23	-1.0	-37.71	237.66	5.14	-32.57
FC(F)(F)C1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572483	1	23	-1.0	-37.36	237.25	5.14	-32.22
CN1N=C(C(F)(F)F)C=C1CSC1=N[N-]N=N1	REAL250004572484	0	23	-1.0	-35.13	240.74	2.68	-32.45
CN1N=C(C(F)(F)F)C=C1CSC1=NN=N[N-]1	REAL250004572484	1	23	-1.0	-34.77	240.33	2.68	-32.09
CN1N=C(C(F)(F)F)C=C1CSC1=N[N-]N=N1	REAL250004572485	0	23	-1.0	-35.13	240.74	2.68	-32.45
CN1N=C(C(F)(F)F)C=C1CSC1=NN=N[N-]1	REAL250004572485	1	23	-1.0	-34.77	240.33	2.68	-32.09
CC(C)(C)OC(=O)N1CCC1CSC1=N[N-]N=N1	REAL250004572486	0	34	-1.0	-48.76	289.56	3.40	-45.36
CC(C)(C)OC(=O)N1CCC1CSC1=NN=N[N-]1	REAL250004572486	1	34	-1.0	-48.33	289.14	3.42	-44.91
C1=CC(N2CCOCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004572487	0	33	-1.0	-39.14	282.95	2.98	-36.16
C1=CC(N2CCOCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572487	1	33	-1.0	-38.87	282.54	2.98	-35.89
FC(F)(F)C(SC1=N[N-]N=N1)C1CCOC1	REAL250004572488	0	24	-1.0	-37.88	217.03	2.11	-35.77
FC(F)(F)C(SC1=NN=N[N-]1)C1CCOC1	REAL250004572488	1	24	-1.0	-37.62	216.09	2.11	-35.51
CCOC1=CC=CC=C1OCCSC1=N[N-]N=N1	REAL250004572489	0	31	-1.0	-41.68	280.01	4.55	-37.13
CCOC1=CC=CC=C1OCCSC1=NN=N[N-]1	REAL250004572489	1	31	-1.0	-41.74	279.60	4.55	-37.19
CC1CN(C(=O)CSC2=N[N-]N=N2)CC(C)(C)O1	REAL250004572490	0	34	-1.0	-38.38	285.51	2.57	-35.81
CC1CN(C(=O)CSC2=NN=N[N-]2)CC(C)(C)O1	REAL250004572490	1	34	-1.0	-37.96	285.10	2.57	-35.39
CC1(C)CN(C(=O)CSC2=N[N-]N=N2)CCO1	REAL250004572491	0	31	-1.0	-38.81	264.27	1.84	-36.97
CC1(C)CN(C(=O)CSC2=NN=N[N-]2)CCO1	REAL250004572491	1	31	-1.0	-38.35	263.86	1.84	-36.51
FC(F)(F)C1=CC=C(C#CCSC2=N[N-]N=N2)C=C1	REAL250004572492	0	25	-1.0	-35.84	265.30	6.63	-29.21
FC(F)(F)C1=CC=C(C#CCSC2=NN=N[N-]2)C=C1	REAL250004572492	1	25	-1.0	-35.55	264.89	6.63	-28.92
CCOC(=O)C(CCC1=CC=CC=C1)SC1=N[N-]N=N1	REAL250004572493	0	35	-1.0	-38.58	312.09	7.49	-31.09
CCOC(=O)C(CCC1=CC=CC=C1)SC1=NN=N[N-]1	REAL250004572493	1	35	-1.0	-38.21	310.81	7.56	-30.65
FC1=CC=C(OCCSC2=N[N-]N=N2)C=C1Cl	REAL250004572494	0	24	-1.0	-36.52	251.50	4.30	-32.22
FC1=CC=C(OCCSC2=NN=N[N-]2)C=C1Cl	REAL250004572494	1	24	-1.0	-36.34	251.09	4.30	-32.04
CC1=CC=CC(CSC2=N[N-]N=N2)=C1Br	REAL250004572495	0	23	-1.0	-39.87	235.23	5.23	-34.64
CC1=CC=CC(CSC2=NN=N[N-]2)=C1Br	REAL250004572495	1	23	-1.0	-39.69	234.82	5.23	-34.46
CC1=C(C(C)(C)C)SC(CSC2=N[N-]N=N2)=N1	REAL250004572496	0	31	-1.0	-39.19	275.70	4.17	-35.02
CC1=C(C(C)(C)C)SC(CSC2=NN=N[N-]2)=N1	REAL250004572496	1	31	-1.0	-38.95	275.29	4.18	-34.77
CC(C)(C)OC(=O)N(CCCSC1=N[N-]N=N1)C1CC1	REAL250004572497	0	40	-1.0	-41.24	330.60	5.59	-35.65
CC(C)(C)OC(=O)N(CCCSC1=NN=N[N-]1)C1CC1	REAL250004572497	1	40	-1.0	-40.98	330.19	5.60	-35.38
C(CC1C2CC3CC(C2)CC1C3)SC1=N[N-]N=N1	REAL250004572498	0	37	-1.0	-37.07	275.17	6.59	-30.48
C(CC1C2CC3CC(C2)CC1C3)SC1=NN=N[N-]1	REAL250004572498	1	37	-1.0	-36.94	274.76	6.59	-30.35
O=C1OC2=CC=CC=C2C=C1CSC1=NN=N[N-]1	REAL250004572499	0	25	-1.0	-48.73	245.32	5.63	-43.10
O=C1OC2=CC=CC=C2C=C1CSC1=N[N-]N=N1	REAL250004572499	1	25	-1.0	-49.16	245.75	5.61	-43.55
FC(F)(F)C1=CC(CSC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004572500	0	22	-1.0	-34.54	250.42	3.81	-30.73
FC(F)(F)C1=CC(CSC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004572500	1	22	-1.0	-34.19	250.01	3.82	-30.37
CCOC(=O)C1=NC(CSC2=N[N-]N=N2)=NS1	REAL250004572501	0	24	-1.0	-41.90	256.55	1.72	-40.18
CCOC(=O)C1=NC(CSC2=NN=N[N-]2)=NS1	REAL250004572501	1	24	-1.0	-41.70	256.13	1.72	-39.98
CS(=O)(=O)[C@@H]1C[C@@]1(C#N)CSC1=N[N-]N=N1	REAL250004572502	0	24	-1.0	-52.94	249.64	0.17	-52.77
CS(=O)(=O)[C@@H]1C[C@@]1(C#N)CSC1=NN=N[N-]1	REAL250004572502	1	24	-1.0	-52.21	249.23	0.17	-52.04
CC(C)OCC1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004572504	0	28	-1.0	-36.68	266.30	0.41	-36.27
CC(C)OCC1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004572504	1	28	-1.0	-36.31	265.89	0.42	-35.89
CC(C)(C)OC(=O)C1(CCSC2=N[N-]N=N2)CCC1	REAL250004572505	0	38	-1.0	-43.00	315.62	6.46	-36.54
CC(C)(C)OC(=O)C1(CCSC2=NN=N[N-]2)CCC1	REAL250004572505	1	38	-1.0	-42.95	315.21	6.47	-36.48
BrC1=CC=C(C=CCSC2=N[N-]N=N2)C=C1	REAL250004572506	0	24	-1.0	-36.99	251.27	6.05	-30.94
BrC1=CC=C(C=CCSC2=NN=N[N-]2)C=C1	REAL250004572506	1	24	-1.0	-36.69	250.86	6.06	-30.63
FC(F)(F)CN1C=CC(CSC2=N[N-]N=N2)=N1	REAL250004572507	0	23	-1.0	-46.08	241.23	3.17	-42.91
FC(F)(F)CN1C=CC(CSC2=NN=N[N-]2)=N1	REAL250004572507	1	23	-1.0	-45.78	240.81	3.18	-42.60
C1=NN(C2CCCC2)C(CSC2=N[N-]N=N2)=C1	REAL250004572508	0	30	-1.0	-36.75	264.86	4.62	-32.13
C1=NN(C2CCCC2)C(CSC2=NN=N[N-]2)=C1	REAL250004572508	1	30	-1.0	-36.49	264.45	4.62	-31.87
FC1=CC=C(SCCSC2=N[N-]N=N2)C(F)=C1	REAL250004572509	0	24	-1.0	-37.60	251.40	5.47	-32.13
FC1=CC=C(SCCSC2=NN=N[N-]2)C(F)=C1	REAL250004572509	1	24	-1.0	-37.51	250.99	5.48	-32.03
BrC1=CC=CC=C1CCSC1=N[N-]N=N1	REAL250004572510	0	23	-1.0	-39.02	236.53	5.37	-33.65
BrC1=CC=CC=C1CCSC1=NN=N[N-]1	REAL250004572510	1	23	-1.0	-38.82	236.12	5.37	-33.45
C(CCCCSC1=N[N-]N=N1)CCCCC1CC1	REAL250004572511	0	41	-1.0	-36.50	342.63	8.93	-27.57
C(CCCCSC1=NN=N[N-]1)CCCCC1CC1	REAL250004572511	1	41	-1.0	-36.27	342.22	8.94	-27.33
O=C1OC(CSC2=N[N-]N=N2)C2(CCC2)C12CCC2	REAL250004572512	0	34	-1.0	-42.11	274.52	5.44	-36.67
O=C1OC(CSC2=NN=N[N-]2)C2(CCC2)C12CCC2	REAL250004572512	1	34	-1.0	-41.75	274.11	5.46	-36.29
CC(C)(C)OCC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004572513	0	32	-1.0	-41.21	295.34	2.98	-38.23
CC(C)(C)OCC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004572513	1	32	-1.0	-41.01	294.93	2.98	-38.03
O=C(NCCSC1=N[N-]N=N1)C1CCOCC1	REAL250004572514	0	31	-1.0	-40.14	272.43	0.43	-39.71
O=C(NCCSC1=NN=N[N-]1)C1CCOCC1	REAL250004572514	1	31	-1.0	-39.70	272.02	0.44	-39.26
FC(F)(F)C1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572515	0	22	-1.0	-41.46	233.66	3.31	-38.15
FC(F)(F)C1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572515	1	22	-1.0	-41.21	233.25	3.31	-37.90
CC(SC1=N[N-]N=N1)C(=O)NC1=CC=C(C(N)=O)C=C1	REAL250004572516	0	31	-1.0	-43.36	284.24	-0.11	-43.47
CC(SC1=NN=N[N-]1)C(=O)NC1=CC=C(C(N)=O)C=C1	REAL250004572516	1	31	-1.0	-42.85	283.29	-0.12	-42.97
COC(=O)C1=CC(Cl)=CC(CSC2=N[N-]N=N2)=C1	REAL250004572517	0	26	-1.0	-38.80	270.48	5.30	-33.50
COC(=O)C1=CC(Cl)=CC(CSC2=NN=N[N-]2)=C1	REAL250004572517	1	26	-1.0	-38.55	270.07	5.30	-33.25
CC(SC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004572518	0	27	-1.0	-36.73	259.57	4.54	-32.19
CC(SC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004572518	1	27	-1.0	-36.41	258.61	4.56	-31.85
CCC(SC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572519	0	29	-1.0	-36.40	272.60	6.41	-29.99
CCC(SC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004572519	1	29	-1.0	-36.18	271.99	6.35	-29.83
FC(F)(F)C1CCCC(CSC2=N[N-]N=N2)O1	REAL250004572520	0	27	-1.0	-40.34	253.14	3.42	-36.92
FC(F)(F)C1CCCC(CSC2=NN=N[N-]2)O1	REAL250004572520	1	27	-1.0	-39.98	252.72	3.43	-36.55
C1=CC(N2CCOCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004572521	0	33	-1.0	-39.14	282.95	2.98	-36.16
C1=CC(N2CCOCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572521	1	33	-1.0	-38.87	282.54	2.98	-35.89
C(SC1=N[N-]N=N1)C1CC2(CC3(C2)OCCO3)CO1	REAL250004572522	0	34	-1.0	-40.98	290.11	1.98	-39.00
C(SC1=NN=N[N-]1)C1CC2(CC3(C2)OCCO3)CO1	REAL250004572522	1	34	-1.0	-40.64	289.69	1.99	-38.65
BrC1=CN=C(CSC2=N[N-]N=N2)S1	REAL250004572523	0	16	-1.0	-35.40	205.42	1.98	-33.42
BrC1=CN=C(CSC2=NN=N[N-]2)S1	REAL250004572523	1	16	-1.0	-35.12	205.01	1.99	-33.13
FC(F)(F)C1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572524	0	22	-1.0	-41.46	233.66	3.31	-38.15
FC(F)(F)C1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572524	1	22	-1.0	-41.21	233.25	3.31	-37.90
CN1N=NC(Br)=C1CSC1=N[N-]N=N1	REAL250004572525	0	19	-1.0	-36.11	215.35	0.99	-35.12
CN1N=NC(Br)=C1CSC1=NN=N[N-]1	REAL250004572525	1	19	-1.0	-35.74	214.94	1.00	-34.74
O=C1CCCC(SC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004572526	0	29	-1.0	-38.44	250.39	5.23	-33.21
O=C1CCCC(SC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004572526	1	29	-1.0	-38.82	251.74	5.17	-33.65
O=S(=O)(CCSC1=N[N-]N=N1)NC1=CC=CC=C1	REAL250004572527	0	28	-1.0	-44.60	276.27	1.00	-43.60
O=S(=O)(CCSC1=NN=N[N-]1)NC1=CC=CC=C1	REAL250004572527	1	28	-1.0	-44.57	275.86	1.02	-43.55
CCOC1=CC=C(CSC2=NN=N[N-]2)C=C1F	REAL250004572528	0	27	-1.0	-38.64	256.11	4.45	-34.19
CCOC1=CC=C(CSC2=N[N-]N=N2)C=C1F	REAL250004572528	1	27	-1.0	-38.95	256.53	4.45	-34.50
CC1=CC=C(N2N=NN=C2CSC2=NN=N[N-]2)C=C1	REAL250004572529	0	28	-1.0	-35.71	262.43	3.84	-31.87
CC1=CC=C(N2N=NN=C2CSC2=N[N-]N=N2)C=C1	REAL250004572529	1	28	-1.0	-35.99	262.84	3.84	-32.15
O=S1(=O)CCC(OCCSC2=N[N-]N=N2)CC1	REAL250004572530	0	30	-1.0	-45.88	274.93	-0.15	-46.03
O=S1(=O)CCC(OCCSC2=NN=N[N-]2)CC1	REAL250004572530	1	30	-1.0	-45.77	274.51	-0.15	-45.92
FC1=C2N=C(CSC3=NN=N[N-]3)OC2=CC=C1	REAL250004572531	0	22	-1.0	-42.19	227.29	1.18	-41.01
FC1=C2N=C(CSC3=N[N-]N=N3)OC2=CC=C1	REAL250004572531	1	22	-1.0	-42.42	227.70	1.17	-41.25
C1=CN(C2=CC=C(CSC3=NN=N[N-]3)C=N2)N=C1	REAL250004572532	0	26	-1.0	-39.38	254.09	4.65	-34.73
C1=CN(C2=CC=C(CSC3=N[N-]N=N3)C=N2)N=C1	REAL250004572532	1	26	-1.0	-39.74	254.50	4.63	-35.11
CC(C)C(SC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004572533	0	34	-1.0	-42.86	283.69	5.14	-37.72
CC(C)C(SC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004572533	1	34	-1.0	-42.58	282.86	5.16	-37.42
CCC(CC)C(=O)NCCCSC1=N[N-]N=N1	REAL250004572534	0	35	-1.0	-42.86	295.15	2.87	-39.99
CCC(CC)C(=O)NCCCSC1=NN=N[N-]1	REAL250004572534	1	35	-1.0	-42.76	294.73	2.88	-39.88
CCOCC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004572535	0	26	-1.0	-41.31	261.04	1.83	-39.48
CCOCC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004572535	1	26	-1.0	-41.09	260.63	1.83	-39.26
O=C1C(SC2=N[N-]N=N2)CCCN1C1=CC=C(F)C=C1	REAL250004572536	0	31	-1.0	-50.91	278.82	5.41	-45.50
O=C1C(SC2=NN=N[N-]2)CCCN1C1=CC=C(F)C=C1	REAL250004572536	1	31	-1.0	-50.64	277.94	5.42	-45.22
CSC1=CC=C(CSC2=N[N-]N=N2)C=C1Cl	REAL250004572537	0	24	-1.0	-37.84	254.17	5.61	-32.23
CSC1=CC=C(CSC2=NN=N[N-]2)C=C1Cl	REAL250004572537	1	24	-1.0	-37.51	253.76	5.61	-31.90
CCC1=CC=C([N+](=O)[O-])C=C1CSC1=NN=N[N-]1	REAL250004572538	0	28	-1.0	-39.66	262.94	6.03	-33.63
CCC1=CC=C([N+](=O)[O-])C=C1CSC1=N[N-]N=N1	REAL250004572538	1	28	-1.0	-39.96	263.35	6.03	-33.93
COC(=O)C1CCCCC1CSC1=N[N-]N=N1	REAL250004572539	0	32	-1.0	-43.70	264.54	4.70	-39.00
COC(=O)C1CCCCC1CSC1=NN=N[N-]1	REAL250004572539	1	32	-1.0	-43.57	264.13	4.70	-38.87
CCOC(=O)C1=CSC(CSC2=N[N-]N=N2)=N1	REAL250004572540	0	25	-1.0	-39.79	261.78	2.70	-37.09
CCOC(=O)C1=CSC(CSC2=NN=N[N-]2)=N1	REAL250004572540	1	25	-1.0	-39.48	261.37	2.71	-36.77
O=C(CSC1=N[N-]N=N1)N1CCO[C@@H]2CCCC[C@@H]21	REAL250004572541	0	35	-1.0	-39.16	285.81	2.94	-36.22
O=C(CSC1=NN=N[N-]1)N1CCO[C@@H]2CCCC[C@@H]21	REAL250004572541	1	35	-1.0	-38.64	285.40	2.95	-35.69
ClC1=CN=CC(Cl)=C1CSC1=N[N-]N=N1	REAL250004572542	0	19	-1.0	-36.61	222.40	3.23	-33.38
ClC1=CN=CC(Cl)=C1CSC1=NN=N[N-]1	REAL250004572542	1	19	-1.0	-36.37	221.99	3.23	-33.14
C(SC1=N[N-]N=N1)C1=NOC(N2CCOCC2)=N1	REAL250004572543	0	28	-1.0	-39.09	258.74	-1.62	-40.71
C(SC1=NN=N[N-]1)C1=NOC(N2CCOCC2)=N1	REAL250004572543	1	28	-1.0	-38.86	258.32	-1.61	-40.47
FC(F)(F)C1=CNC(CSC2=N[N-]N=N2)=N1	REAL250004572544	0	20	-1.0	-40.39	219.52	1.76	-38.63
FC(F)(F)C1=CNC(CSC2=NN=N[N-]2)=N1	REAL250004572544	1	20	-1.0	-40.05	219.11	1.77	-38.28
CC1=NC=C(CSC2=N[N-]N=N2)C2=C1OC(C)(C)OC2	REAL250004572545	0	34	-1.0	-38.48	292.97	3.48	-35.00
CC1=NC=C(CSC2=NN=N[N-]2)C2=C1OC(C)(C)OC2	REAL250004572545	1	34	-1.0	-38.22	292.55	3.48	-34.74
O=[N+]([O-])C1=CC=C(F)C(CSC2=NN=N[N-]2)=C1	REAL250004572546	0	22	-1.0	-39.19	232.06	4.84	-34.35
O=[N+]([O-])C1=CC=C(F)C(CSC2=N[N-]N=N2)=C1	REAL250004572546	1	22	-1.0	-39.43	232.47	4.84	-34.59
CC(C)(C)OC(=O)NCC(=O)CSC1=N[N-]N=N1	REAL250004572547	0	32	-1.0	-39.79	286.76	0.96	-38.83
CC(C)(C)OC(=O)NCC(=O)CSC1=NN=N[N-]1	REAL250004572547	1	32	-1.0	-39.29	286.35	0.96	-38.33
CC1=CC=C([N+](=O)[O-])C=C1CSC1=NN=N[N-]1	REAL250004572548	0	25	-1.0	-39.65	243.76	5.35	-34.30
CC1=CC=C([N+](=O)[O-])C=C1CSC1=N[N-]N=N1	REAL250004572548	1	25	-1.0	-39.95	244.17	5.35	-34.60
FC(F)COCC1=NC(CSC2=N[N-]N=N2)=CS1	REAL250004572549	0	26	-1.0	-46.02	274.05	2.15	-43.87
FC(F)COCC1=NC(CSC2=NN=N[N-]2)=CS1	REAL250004572549	1	26	-1.0	-45.86	273.64	2.15	-43.71
C1=CC=C(C2(CSC3=N[N-]N=N3)COCCO2)C=C1	REAL250004572550	0	32	-1.0	-41.47	271.83	3.67	-37.80
C1=CC=C(C2(CSC3=NN=N[N-]3)COCCO2)C=C1	REAL250004572550	1	32	-1.0	-41.33	271.42	3.67	-37.66
FC(F)(F)C(CCSC1=N[N-]N=N1)N1CCOCC1	REAL250004572551	0	32	-1.0	-37.21	274.50	1.34	-35.87
FC(F)(F)C(CCSC1=NN=N[N-]1)N1CCOCC1	REAL250004572551	1	32	-1.0	-36.91	274.08	1.34	-35.57
COC(=O)C1=CC=C(CSC2=NN=N[N-]2)C=C1C	REAL250004572552	0	29	-1.0	-37.85	269.37	5.34	-32.51
COC(=O)C1=CC=C(CSC2=N[N-]N=N2)C=C1C	REAL250004572552	1	29	-1.0	-38.12	269.78	5.34	-32.78
C(#CC1=CN(C2=CC=CC=C2)N=C1)CSC1=N[N-]N=N1	REAL250004572553	0	29	-1.0	-40.28	285.27	6.84	-33.44
C(#CC1=CN(C2=CC=CC=C2)N=C1)CSC1=NN=N[N-]1	REAL250004572553	1	29	-1.0	-40.07	284.86	6.84	-33.23
ClC1=CC=CC(C#CCSC2=N[N-]N=N2)=C1Cl	REAL250004572554	0	22	-1.0	-38.96	257.18	6.54	-32.42
ClC1=CC=CC(C#CCSC2=NN=N[N-]2)=C1Cl	REAL250004572554	1	22	-1.0	-39.04	256.77	6.54	-32.50
COCCOC1=CC=CC(C#CCSC2=N[N-]N=N2)=C1	REAL250004572555	0	33	-1.0	-41.48	311.56	5.12	-36.36
COCCOC1=CC=CC(C#CCSC2=NN=N[N-]2)=C1	REAL250004572555	1	33	-1.0	-41.23	311.15	5.12	-36.11
COC(C)(C)C1=NOC(CSC2=N[N-]N=N2)=N1	REAL250004572556	0	28	-1.0	-37.41	257.71	-0.35	-37.76
COC(C)(C)C1=NOC(CSC2=NN=N[N-]2)=N1	REAL250004572556	1	28	-1.0	-37.08	257.30	-0.34	-37.42
CC1=C(Br)C(CSC2=N[N-]N=N2)=NN1C	REAL250004572557	0	23	-1.0	-42.82	241.11	2.85	-39.97
CC1=C(Br)C(CSC2=NN=N[N-]2)=NN1C	REAL250004572557	1	23	-1.0	-42.69	240.70	2.86	-39.83
C(SC1=N[N-]N=N1)C1CC2(CO1)CCCCC2	REAL250004572558	0	34	-1.0	-39.38	272.89	4.30	-35.08
C(SC1=NN=N[N-]1)C1CC2(CO1)CCCCC2	REAL250004572558	1	34	-1.0	-39.08	272.47	4.30	-34.78
CC1=CC=CC(CSC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004572559	0	25	-1.0	-46.60	247.09	5.70	-40.90
CC1=CC=CC(CSC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004572559	1	25	-1.0	-46.82	247.50	5.69	-41.13
FC(F)(F)C1CCCC1CSC1=N[N-]N=N1	REAL250004572560	0	26	-1.0	-41.10	231.56	4.47	-36.63
FC(F)(F)C1CCCC1CSC1=NN=N[N-]1	REAL250004572560	1	26	-1.0	-41.01	231.15	4.47	-36.54
COC(=O)C1(C2=CC=C(CSC3=N[N-]N=N3)C=C2)CC1	REAL250004572561	0	33	-1.0	-40.70	297.27	6.77	-33.93
COC(=O)C1(C2=CC=C(CSC3=NN=N[N-]3)C=C2)CC1	REAL250004572561	1	33	-1.0	-40.43	296.86	6.78	-33.65
N#CC1(OCCSC2=N[N-]N=N2)CCOCC1	REAL250004572562	0	29	-1.0	-39.07	259.28	1.16	-37.91
N#CC1(OCCSC2=NN=N[N-]2)CCOCC1	REAL250004572562	1	29	-1.0	-38.81	258.86	1.16	-37.65
C(SC1=N[N-]N=N1)C1CCCC12CCOCC2	REAL250004572563	0	34	-1.0	-38.98	265.31	3.98	-35.00
C(SC1=NN=N[N-]1)C1CCCC12CCOCC2	REAL250004572563	1	34	-1.0	-38.82	264.89	3.98	-34.84
CCN1C=C(Br)C(CSC2=N[N-]N=N2)=N1	REAL250004572564	0	23	-1.0	-42.53	244.21	3.27	-39.26
CCN1C=C(Br)C(CSC2=NN=N[N-]2)=N1	REAL250004572564	1	23	-1.0	-42.34	243.80	3.27	-39.07
COC(=O)C1=CC(CSC2=N[N-]N=N2)=C(Cl)S1	REAL250004572565	0	23	-1.0	-39.18	260.11	4.38	-34.80
COC(=O)C1=CC(CSC2=NN=N[N-]2)=C(Cl)S1	REAL250004572565	1	23	-1.0	-38.93	259.70	4.38	-34.55
CC(CNC(=O)OC(C)(C)C)SC1=N[N-]N=N1	REAL250004572566	0	33	-1.0	-38.11	281.36	1.79	-36.32
CC(CNC(=O)OC(C)(C)C)SC1=NN=N[N-]1	REAL250004572566	1	33	-1.0	-37.76	280.40	1.80	-35.96
BrC1=CSC(CSC2=N[N-]N=N2)=C1	REAL250004572567	0	17	-1.0	-35.69	210.64	3.85	-31.84
BrC1=CSC(CSC2=NN=N[N-]2)=C1	REAL250004572567	1	17	-1.0	-35.41	210.23	3.85	-31.56
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(C)=C1	REAL250004572568	0	29	-1.0	-43.89	267.68	5.56	-38.33
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(C)=C1	REAL250004572568	1	29	-1.0	-43.94	269.09	5.52	-38.42
CC(=O)C1=CC=C(OCC#CCSC2=N[N-]N=N2)C=C1	REAL250004572569	0	31	-1.0	-43.58	297.58	5.63	-37.95
CC(=O)C1=CC=C(OCC#CCSC2=NN=N[N-]2)C=C1	REAL250004572569	1	31	-1.0	-43.32	297.17	5.63	-37.69
C(SC1=N[N-]N=N1)C1CCCC2(CCOC2)O1	REAL250004572570	0	32	-1.0	-40.95	264.88	2.16	-38.79
C(SC1=NN=N[N-]1)C1CCCC2(CCOC2)O1	REAL250004572570	1	32	-1.0	-40.61	264.47	2.18	-38.43
FC1=CC=CN2C=C(CSC3=NN=N[N-]3)N=C12	REAL250004572571	0	23	-1.0	-48.73	231.93	4.69	-44.04
FC1=CC=CN2C=C(CSC3=N[N-]N=N3)N=C12	REAL250004572571	1	23	-1.0	-48.90	232.34	4.68	-44.22
C1=CC(OCCSC2=N[N-]N=N2)=CC2=C1OCO2	REAL250004572572	0	27	-1.0	-39.58	254.98	2.37	-37.21
C1=CC(OCCSC2=NN=N[N-]2)=CC2=C1OCO2	REAL250004572572	1	27	-1.0	-39.49	254.57	2.38	-37.11
CC1(CSC2=N[N-]N=N2)COC2=CSC=C2OC1	REAL250004572573	0	29	-1.0	-38.05	262.90	2.56	-35.49
CC1(CSC2=NN=N[N-]2)COC2=CSC=C2OC1	REAL250004572573	1	29	-1.0	-37.74	262.49	2.56	-35.18
CC1=CC=CC(N2CCCC(SC3=NN=N[N-]3)C2=O)=C1	REAL250004572574	0	34	-1.0	-52.80	292.95	6.01	-46.79
CC1=CC=CC(N2CCCC(SC3=N[N-]N=N3)C2=O)=C1	REAL250004572574	1	34	-1.0	-53.09	293.83	6.02	-47.07
C1=CC=C(COCCCSC2=N[N-]N=N2)C=C1	REAL250004572575	0	30	-1.0	-38.11	275.96	4.98	-33.13
C1=CC=C(COCCCSC2=NN=N[N-]2)C=C1	REAL250004572575	1	30	-1.0	-37.79	275.55	4.99	-32.80
C1=CC(CSC2=NN=N[N-]2)=CC2=NSN=C12	REAL250004572576	0	21	-1.0	-38.47	222.78	2.48	-35.99
C1=CC(CSC2=N[N-]N=N2)=CC2=NSN=C12	REAL250004572576	1	21	-1.0	-38.79	223.20	2.48	-36.31
CS(=O)(=O)C1=C(CSC2=N[N-]N=N2)C=CS1	REAL250004572577	0	23	-1.0	-47.87	244.56	0.83	-47.04
CS(=O)(=O)C1=C(CSC2=NN=N[N-]2)C=CS1	REAL250004572577	1	23	-1.0	-47.40	244.14	0.84	-46.56
C(SC1=N[N-]N=N1)C1=NC2=C(CCCCC2)S1	REAL250004572578	0	29	-1.0	-39.67	264.83	4.41	-35.26
C(SC1=NN=N[N-]1)C1=NC2=C(CCCCC2)S1	REAL250004572578	1	29	-1.0	-39.44	264.42	4.42	-35.02
COC(=O)C1=NN(C)C(CSC2=N[N-]N=N2)=C1	REAL250004572579	0	26	-1.0	-38.84	255.41	2.40	-36.44
COC(=O)C1=NN(C)C(CSC2=NN=N[N-]2)=C1	REAL250004572579	1	26	-1.0	-38.50	255.00	2.40	-36.10
BrC1=CCCCC1SC1=N[N-]N=N1	REAL250004572580	0	21	-1.0	-39.07	209.61	4.18	-34.89
BrC1=CCCCC1SC1=NN=N[N-]1	REAL250004572580	1	21	-1.0	-38.73	208.52	4.18	-34.55
C(SC1=N[N-]N=N1)C1CC2(CO1)CCOCC2	REAL250004572581	0	32	-1.0	-39.95	264.41	1.93	-38.02
C(SC1=NN=N[N-]1)C1CC2(CO1)CCOCC2	REAL250004572581	1	32	-1.0	-39.65	263.99	1.95	-37.70
C1=CC=C(N2C(CSC3=NN=N[N-]3)=NN=C2C2CC2)C=C1	REAL250004572582	0	33	-1.0	-41.84	304.64	7.80	-34.04
C1=CC=C(N2C(CSC3=N[N-]N=N3)=NN=C2C2CC2)C=C1	REAL250004572582	1	33	-1.0	-41.99	305.05	7.79	-34.20
C(SC1=N[N-]N=N1)C1=NC2=C(CCCC2)S1	REAL250004572583	0	26	-1.0	-39.44	247.46	3.85	-35.59
C(SC1=NN=N[N-]1)C1=NC2=C(CCCC2)S1	REAL250004572583	1	26	-1.0	-39.23	247.05	3.86	-35.37
CCN1N=CC(Br)=C1CSC1=N[N-]N=N1	REAL250004572584	0	23	-1.0	-35.96	240.34	3.09	-32.87
CCN1N=CC(Br)=C1CSC1=NN=N[N-]1	REAL250004572584	1	23	-1.0	-35.70	239.93	3.10	-32.60
CC1=CC=CC(N2CCC(SC3=NN=N[N-]3)C2=O)=C1	REAL250004572585	0	31	-1.0	-54.83	270.18	5.22	-49.61
CC1=CC=CC(N2CCC(SC3=N[N-]N=N3)C2=O)=C1	REAL250004572585	1	31	-1.0	-54.03	272.08	5.26	-48.77
CC(C)(C)OC(=O)C1=COC(CSC2=N[N-]N=N2)=N1	REAL250004572586	0	31	-1.0	-38.92	286.34	1.49	-37.43
CC(C)(C)OC(=O)C1=COC(CSC2=NN=N[N-]2)=N1	REAL250004572586	1	31	-1.0	-38.64	285.93	1.50	-37.14
CC1CCC2=C(C1)SC(CSC1=N[N-]N=N1)=N2	REAL250004572587	0	29	-1.0	-38.94	268.26	4.46	-34.48
CC1CCC2=C(C1)SC(CSC1=NN=N[N-]1)=N2	REAL250004572587	1	29	-1.0	-38.73	267.85	4.47	-34.26
CC1(C)CCC2=C(C1)SC(CSC1=N[N-]N=N1)=N2	REAL250004572588	0	32	-1.0	-39.04	283.17	4.76	-34.28
CC1(C)CCC2=C(C1)SC(CSC1=NN=N[N-]1)=N2	REAL250004572588	1	32	-1.0	-38.82	282.76	4.78	-34.04
CC1=CC=CC=C1N1CCCC(SC2=NN=N[N-]2)C1=O	REAL250004572589	0	34	-1.0	-52.81	290.10	6.43	-46.38
CC1=CC=CC=C1N1CCCC(SC2=N[N-]N=N2)C1=O	REAL250004572589	1	34	-1.0	-53.02	290.97	6.43	-46.59
CC1(CSC2=N[N-]N=N2)CN(C2CCC2)C1=O	REAL250004572590	0	31	-1.0	-45.65	271.21	3.47	-42.18
CC1(CSC2=NN=N[N-]2)CN(C2CCC2)C1=O	REAL250004572590	1	31	-1.0	-45.18	270.80	3.47	-41.71
CC(C)(C)OC(=O)CCOCCSC1=N[N-]N=N1	REAL250004572591	0	35	-1.0	-38.61	304.93	4.02	-34.59
CC(C)(C)OC(=O)CCOCCSC1=NN=N[N-]1	REAL250004572591	1	35	-1.0	-38.50	304.52	4.02	-34.48
C1=CC=C(C2(CSC3=N[N-]N=N3)CCCO2)C=C1	REAL250004572592	0	31	-1.0	-41.49	266.17	4.78	-36.71
C1=CC=C(C2(CSC3=NN=N[N-]3)CCCO2)C=C1	REAL250004572592	1	31	-1.0	-41.13	265.75	4.80	-36.33
CC(C)(C)C1=NC=C(CSC2=NN=N[N-]2)C=N1	REAL250004572593	0	30	-1.0	-36.57	270.16	4.11	-32.46
CC(C)(C)C1=NC=C(CSC2=N[N-]N=N2)C=N1	REAL250004572593	1	30	-1.0	-36.92	270.57	4.10	-32.82
CN1C=C(C(=O)CSC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004572594	0	29	-1.0	-45.53	272.21	5.77	-39.76
CN1C=C(C(=O)CSC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004572594	1	29	-1.0	-46.06	272.62	5.76	-40.30
O=C(CSC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL250004572595	0	26	-1.0	-37.61	268.91	4.45	-33.16
O=C(CSC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2N1	REAL250004572595	1	26	-1.0	-37.98	269.32	4.44	-33.54
COC1=CC=CC(C(F)CSC2=N[N-]N=N2)=C1	REAL250004572596	0	27	-1.0	-38.98	254.50	4.23	-34.75
COC1=CC=CC(C(F)CSC2=NN=N[N-]2)=C1	REAL250004572596	1	27	-1.0	-38.74	254.09	4.23	-34.51
CCOC(=O)C1=NNC=C1CSC1=NN=N[N-]1	REAL250004572597	0	26	-1.0	-47.16	253.18	2.15	-45.01
CCOC(=O)C1=NNC=C1CSC1=N[N-]N=N1	REAL250004572597	1	26	-1.0	-47.37	253.59	2.14	-45.23
CC1(CSC2=N[N-]N=N2)CN(CC(F)(F)F)C1=O	REAL250004572598	0	27	-1.0	-44.95	266.03	2.74	-42.21
CC1(CSC2=NN=N[N-]2)CN(CC(F)(F)F)C1=O	REAL250004572598	1	27	-1.0	-44.48	265.62	2.75	-41.73
CC1=C(CSC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004572599	0	23	-1.0	-40.57	238.76	3.87	-36.70
CC1=C(CSC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004572599	1	23	-1.0	-40.29	238.35	3.87	-36.42
C(SC1=N[N-]N=N1)C1=NC2=C(COCC2)S1	REAL250004572600	0	24	-1.0	-39.35	238.37	1.44	-37.91
C(SC1=NN=N[N-]1)C1=NC2=C(COCC2)S1	REAL250004572600	1	24	-1.0	-39.10	237.96	1.45	-37.65
COC(=O)C1=NC=C(CSC2=NN=N[N-]2)C=C1F	REAL250004572601	0	25	-1.0	-37.66	253.70	3.00	-34.66
COC(=O)C1=NC=C(CSC2=N[N-]N=N2)C=C1F	REAL250004572601	1	25	-1.0	-38.09	254.11	3.00	-35.09
O=C(CSC1=NN=N[N-]1)C1=CC2=CC=CC=C2N1	REAL250004572602	0	26	-1.0	-38.72	252.20	3.93	-34.79
O=C(CSC1=N[N-]N=N1)C1=CC2=CC=CC=C2N1	REAL250004572602	1	26	-1.0	-39.22	252.62	3.92	-35.30
ClC1=CC=C(C2=CC(CSC3=NN=N[N-]3)=NO2)C=C1	REAL250004572603	0	26	-1.0	-38.04	270.21	5.72	-32.32
ClC1=CC=C(C2=CC(CSC3=N[N-]N=N3)=NO2)C=C1	REAL250004572603	1	26	-1.0	-38.23	270.62	5.71	-32.52
COC(=O)C(SC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004572604	0	26	-1.0	-41.06	258.94	5.01	-36.05
COC(=O)C(SC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004572604	1	26	-1.0	-41.30	260.34	4.98	-36.32
ClC1=CC=C2C(=C1)CCC2SC1=NN=N[N-]1	REAL250004572605	0	24	-1.0	-36.43	237.23	5.64	-30.79
ClC1=CC=C2C(=C1)CCC2SC1=N[N-]N=N1	REAL250004572605	1	24	-1.0	-36.54	238.49	5.74	-30.80
BrC1=CC=C2CCC(SC3=N[N-]N=N3)C2=C1	REAL250004572606	0	24	-1.0	-43.55	234.59	5.76	-37.79
BrC1=CC=C2CCC(SC3=NN=N[N-]3)C2=C1	REAL250004572606	1	24	-1.0	-37.92	241.03	5.86	-32.06
FC1=NC=C(Br)C=C1CSC1=NN=N[N-]1	REAL250004572607	0	19	-1.0	-36.91	220.04	2.89	-34.02
FC1=NC=C(Br)C=C1CSC1=N[N-]N=N1	REAL250004572607	1	19	-1.0	-37.22	220.45	2.89	-34.33
FC(F)(F)C1=CC=CC(CCSC2=N[N-]N=N2)=C1	REAL250004572608	0	26	-1.0	-38.26	259.17	5.92	-32.34
FC(F)(F)C1=CC=CC(CCSC2=NN=N[N-]2)=C1	REAL250004572608	1	26	-1.0	-38.07	258.76	5.93	-32.14
FC(F)(F)C1=CC=CC(CCSC2=N[N-]N=N2)=C1	REAL250004572609	0	26	-1.0	-38.26	259.17	5.92	-32.34
FC(F)(F)C1=CC=CC(CCSC2=NN=N[N-]2)=C1	REAL250004572609	1	26	-1.0	-38.07	258.76	5.93	-32.14
N#CC1=CC(CSC2=N[N-]N=N2)=C(F)C=C1F	REAL250004572610	0	21	-1.0	-37.63	231.00	4.59	-33.04
N#CC1=CC(CSC2=NN=N[N-]2)=C(F)C=C1F	REAL250004572610	1	21	-1.0	-37.23	230.59	4.59	-32.64
FC(F)(F)C1=NC(CSC2=N[N-]N=N2)=CO1	REAL250004572611	0	19	-1.0	-38.17	215.92	-0.13	-38.30
FC(F)(F)C1=NC(CSC2=NN=N[N-]2)=CO1	REAL250004572611	1	19	-1.0	-37.85	215.51	-0.13	-37.98
O=C(CSC1=NN=N[N-]1)C1=CN=C2NC=CC=C12	REAL250004572612	0	25	-1.0	-52.57	242.41	3.24	-49.33
O=C(CSC1=N[N-]N=N1)C1=CN=C2NC=CC=C12	REAL250004572612	1	25	-1.0	-53.05	242.82	3.23	-49.82
CC(=O)OC1=CC(C)=CC(CSC2=NN=N[N-]2)=C1	REAL250004572613	0	29	-1.0	-43.37	275.81	6.05	-37.32
CC(=O)OC1=CC(C)=CC(CSC2=N[N-]N=N2)=C1	REAL250004572613	1	29	-1.0	-43.48	276.22	6.05	-37.43
O=C(CSC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004572614	0	28	-1.0	-40.82	252.40	4.41	-36.41
O=C(CSC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004572614	1	28	-1.0	-41.10	252.81	4.41	-36.69
COC(=O)C(SC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004572615	0	26	-1.0	-39.81	259.01	5.05	-34.76
COC(=O)C(SC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004572615	1	26	-1.0	-39.92	260.41	5.00	-34.92
N#CC1=CC=C(CSC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004572616	0	27	-1.0	-37.78	260.51	6.55	-31.23
N#CC1=CC=C(CSC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004572616	1	27	-1.0	-38.06	260.92	6.54	-31.52
O=C1CCC2CN1CC(CSC1=N[N-]N=N1)O2	REAL250004572617	0	29	-1.0	-43.50	248.62	1.80	-41.70
O=C1CCC2CN1CC(CSC1=NN=N[N-]1)O2	REAL250004572617	1	29	-1.0	-43.19	248.20	1.81	-41.38
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004572618	0	26	-1.0	-42.93	252.70	4.95	-37.98
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004572618	1	26	-1.0	-42.96	254.10	4.92	-38.04
FC(F)(F)C1=C(CSC2=N[N-]N=N2)N=CO1	REAL250004572619	0	19	-1.0	-40.34	210.77	-0.19	-40.53
FC(F)(F)C1=C(CSC2=NN=N[N-]2)N=CO1	REAL250004572619	1	19	-1.0	-40.12	210.35	-0.18	-40.30
CS(=O)(=O)C1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572620	0	26	-1.0	-46.49	247.86	1.63	-44.86
CS(=O)(=O)C1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572620	1	26	-1.0	-47.00	248.28	1.62	-45.38
O=C1CC2(CCOCC2)C(CSC2=N[N-]N=N2)O1	REAL250004572621	0	31	-1.0	-41.31	260.13	2.67	-38.64
O=C1CC2(CCOCC2)C(CSC2=NN=N[N-]2)O1	REAL250004572621	1	31	-1.0	-40.91	259.71	2.67	-38.24
CN1N=NC(CSC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004572622	0	22	-1.0	-39.54	227.58	1.27	-38.27
CN1N=NC(CSC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004572622	1	22	-1.0	-39.35	227.16	1.27	-38.08
CC1=C(S(C)(=O)=O)C=C(CSC2=N[N-]N=N2)O1	REAL250004572623	0	26	-1.0	-48.21	260.63	0.55	-47.66
CC1=C(S(C)(=O)=O)C=C(CSC2=NN=N[N-]2)O1	REAL250004572623	1	26	-1.0	-47.87	260.21	0.55	-47.32
C(SC1=N[N-]N=N1)C1=NN=C(N2CCCC2)O1	REAL250004572624	0	27	-1.0	-37.62	249.57	-2.40	-40.02
C(SC1=NN=N[N-]1)C1=NN=C(N2CCCC2)O1	REAL250004572624	1	27	-1.0	-37.38	249.16	-2.39	-39.77
FC1=CC(CSC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL250004572625	0	23	-1.0	-35.10	244.08	5.20	-29.90
FC1=CC(CSC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL250004572625	1	23	-1.0	-34.77	243.67	5.21	-29.56
COC(=O)C(SC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004572626	0	26	-1.0	-39.81	259.01	5.05	-34.76
COC(=O)C(SC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004572626	1	26	-1.0	-39.92	260.41	5.00	-34.92
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004572627	0	26	-1.0	-42.93	252.70	4.95	-37.98
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004572627	1	26	-1.0	-42.96	254.10	4.92	-38.04
BrC1=CC=C(CSC2=NN=N[N-]2)C=N1	REAL250004572628	0	19	-1.0	-36.18	214.83	2.87	-33.31
BrC1=CC=C(CSC2=N[N-]N=N2)C=N1	REAL250004572628	1	19	-1.0	-36.52	215.24	2.86	-33.66
CC(C)(C)OC(=O)NCC(=O)OCSC1=N[N-]N=N1	REAL250004572629	0	33	-1.0	-39.34	297.79	1.12	-38.22
CC(C)(C)OC(=O)NCC(=O)OCSC1=NN=N[N-]1	REAL250004572629	1	33	-1.0	-38.95	297.05	1.15	-37.80
COC(=O)C(SC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004572630	0	26	-1.0	-42.60	263.02	5.39	-37.21
COC(=O)C(SC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004572630	1	26	-1.0	-42.60	264.42	5.36	-37.24
COC(=O)CC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572631	0	29	-1.0	-42.32	270.16	5.42	-36.90
COC(=O)CC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572631	1	29	-1.0	-42.39	270.58	5.42	-36.97
O=[N+]([O-])C1=CC(CSC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004572632	0	24	-1.0	-35.36	254.97	5.49	-29.87
O=[N+]([O-])C1=CC(CSC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004572632	1	24	-1.0	-35.83	255.38	5.49	-30.34
O=C(CSC1=NN=N[N-]1)C1=CN=C2NC=CC(Cl)=C12	REAL250004572633	0	25	-1.0	-55.88	255.90	3.85	-52.03
O=C(CSC1=N[N-]N=N1)C1=CN=C2NC=CC(Cl)=C12	REAL250004572633	1	25	-1.0	-56.15	256.31	3.85	-52.30
COC(=O)C1=C2CCCN2N=C1CSC1=N[N-]N=N1	REAL250004572634	0	30	-1.0	-49.01	282.31	3.32	-45.69
COC(=O)C1=C2CCCN2N=C1CSC1=NN=N[N-]1	REAL250004572634	1	30	-1.0	-48.79	281.89	3.32	-45.47
CC(C)(C)OC(=O)C12CC(CSC3=N[N-]N=N3)(C1)C2	REAL250004572635	0	36	-1.0	-37.77	307.81	6.48	-31.29
CC(C)(C)OC(=O)C12CC(CSC3=NN=N[N-]3)(C1)C2	REAL250004572635	1	36	-1.0	-37.52	307.40	6.48	-31.04
CC(C)(C)OC(=O)CCCCCSC1=N[N-]N=N1	REAL250004572636	0	37	-1.0	-40.09	313.90	6.30	-33.79
CC(C)(C)OC(=O)CCCCCSC1=NN=N[N-]1	REAL250004572636	1	37	-1.0	-39.70	313.49	6.31	-33.39
FC(F)(F)OC1=CC=CC=C1CSC1=N[N-]N=N1	REAL250004572637	0	24	-1.0	-40.14	243.60	4.01	-36.13
FC(F)(F)OC1=CC=CC=C1CSC1=NN=N[N-]1	REAL250004572637	1	24	-1.0	-39.88	243.19	4.02	-35.86
CC(C)(C)OC(=O)CCCCSC1=N[N-]N=N1	REAL250004572638	0	34	-1.0	-41.26	292.40	5.52	-35.74
CC(C)(C)OC(=O)CCCCSC1=NN=N[N-]1	REAL250004572638	1	34	-1.0	-41.18	291.99	5.53	-35.65
CC1=CC=NC(CSC2=N[N-]N=N2)=C1Br	REAL250004572639	0	22	-1.0	-41.74	230.58	3.39	-38.35
CC1=CC=NC(CSC2=NN=N[N-]2)=C1Br	REAL250004572639	1	22	-1.0	-41.56	230.17	3.39	-38.17
O=C1CC(C2=CC=C(CSC3=NN=N[N-]3)C=C2)C1	REAL250004572640	0	29	-1.0	-40.94	267.03	5.83	-35.11
O=C1CC(C2=CC=C(CSC3=N[N-]N=N3)C=C2)C1	REAL250004572640	1	29	-1.0	-41.18	267.44	5.83	-35.35
FC1(F)C2CCC(CSC3=N[N-]N=N3)CCC21	REAL250004572641	0	30	-1.0	-37.67	254.85	5.62	-32.05
FC1(F)C2CCC(CSC3=NN=N[N-]3)CCC21	REAL250004572641	1	30	-1.0	-37.47	254.44	5.63	-31.84
FC(F)(F)C1(CCSC2=N[N-]N=N2)CCC1	REAL250004572642	0	26	-1.0	-38.79	236.66	4.49	-34.30
FC(F)(F)C1(CCSC2=NN=N[N-]2)CCC1	REAL250004572642	1	26	-1.0	-38.66	236.25	4.49	-34.17
C1=CC=C(C2OCC(CSC3=N[N-]N=N3)O2)C=C1	REAL250004572643	0	29	-1.0	-39.32	265.88	3.91	-35.41
C1=CC=C(C2OCC(CSC3=NN=N[N-]3)O2)C=C1	REAL250004572643	1	29	-1.0	-38.93	265.46	3.91	-35.02
FC(F)CC(CSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572644	0	29	-1.0	-38.11	267.89	6.23	-31.88
FC(F)CC(CSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572644	1	29	-1.0	-37.83	267.48	6.23	-31.60
FC1(F)CC12CCC(CSC1=N[N-]N=N1)CC2	REAL250004572645	0	30	-1.0	-37.63	264.39	5.83	-31.80
FC1(F)CC12CCC(CSC1=NN=N[N-]1)CC2	REAL250004572645	1	30	-1.0	-37.40	263.97	5.84	-31.56
CCOC(=O)C1=CON=C1CSC1=N[N-]N=N1	REAL250004572646	0	25	-1.0	-46.18	250.59	3.08	-43.10
CCOC(=O)C1=CON=C1CSC1=NN=N[N-]1	REAL250004572646	1	25	-1.0	-46.00	250.18	3.08	-42.92
FC1=CC=C(C2=CSC(CSC3=NN=N[N-]3)=N2)C=C1	REAL250004572647	0	26	-1.0	-39.63	268.03	4.95	-34.68
FC1=CC=C(C2=CSC(CSC3=N[N-]N=N3)=N2)C=C1	REAL250004572647	1	26	-1.0	-39.90	268.44	4.94	-34.96
CCOC(=O)C1=CC=C(F)C(CSC2=N[N-]N=N2)=C1	REAL250004572648	0	29	-1.0	-42.05	280.90	5.75	-36.30
CCOC(=O)C1=CC=C(F)C(CSC2=NN=N[N-]2)=C1	REAL250004572648	1	29	-1.0	-41.85	280.49	5.75	-36.10
CCC(SC1=NN=N[N-]1)C1=CC(Cl)=CC2=C1OCC2	REAL250004572649	0	31	-1.0	-41.51	286.16	5.66	-35.85
CCC(SC1=N[N-]N=N1)C1=CC(Cl)=CC2=C1OCC2	REAL250004572649	1	31	-1.0	-41.78	287.11	5.69	-36.09
C(SC1=N[N-]N=N1)C1=NOC2=C1CCCCC2	REAL250004572650	0	29	-1.0	-39.71	251.37	4.62	-35.09
C(SC1=NN=N[N-]1)C1=NOC2=C1CCCCC2	REAL250004572650	1	29	-1.0	-39.59	250.96	4.62	-34.97
C1=CC=C(COCCOCCSC2=N[N-]N=N2)C=C1	REAL250004572651	0	34	-1.0	-41.59	309.94	4.42	-37.17
C1=CC=C(COCCOCCSC2=NN=N[N-]2)C=C1	REAL250004572651	1	34	-1.0	-41.57	309.53	4.43	-37.14
FC(F)(F)C1CCCC(CCSC2=N[N-]N=N2)C1	REAL250004572652	0	32	-1.0	-37.03	278.59	6.02	-31.01
FC(F)(F)C1CCCC(CCSC2=NN=N[N-]2)C1	REAL250004572652	1	32	-1.0	-36.74	278.18	6.02	-30.72
CC1=NC2=CC(NC(=O)CSC3=N[N-]N=N3)=CC=C2N1	REAL250004572653	0	30	-1.0	-50.38	280.39	1.88	-48.50
CC1=NC2=CC(NC(=O)CSC3=NN=N[N-]3)=CC=C2N1	REAL250004572653	1	30	-1.0	-49.90	279.97	1.90	-48.00
CC(C)(C)OC(=O)COCCSC1=N[N-]N=N1	REAL250004572654	0	32	-1.0	-43.12	283.98	3.85	-39.27
CC(C)(C)OC(=O)COCCSC1=NN=N[N-]1	REAL250004572654	1	32	-1.0	-43.09	283.57	3.85	-39.24
CS(=O)(=O)C1=C(CSC2=N[N-]N=N2)SC=C1	REAL250004572655	0	23	-1.0	-40.85	238.67	0.42	-40.43
CS(=O)(=O)C1=C(CSC2=NN=N[N-]2)SC=C1	REAL250004572655	1	23	-1.0	-40.79	238.26	0.42	-40.37
FC1=CC=C(N2N=NN=C2CSC2=NN=N[N-]2)C=C1	REAL250004572656	0	25	-1.0	-33.98	247.44	3.23	-30.75
FC1=CC=C(N2N=NN=C2CSC2=N[N-]N=N2)C=C1	REAL250004572656	1	25	-1.0	-34.25	247.85	3.23	-31.02
CC(SC1=NN=N[N-]1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL250004572657	0	29	-1.0	-38.13	276.35	3.47	-34.66
CC(SC1=N[N-]N=N1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL250004572657	1	29	-1.0	-38.49	277.30	3.46	-35.03
CC(C)(C)OCCCCCCSC1=N[N-]N=N1	REAL250004572658	0	38	-1.0	-38.24	314.85	5.42	-32.82
CC(C)(C)OCCCCCCSC1=NN=N[N-]1	REAL250004572658	1	38	-1.0	-38.00	314.44	5.43	-32.57
C(SC1=N[N-]N=N1)C1=NN=C(N2CCCCC2)O1	REAL250004572659	0	30	-1.0	-37.55	268.19	-1.51	-39.06
C(SC1=NN=N[N-]1)C1=NN=C(N2CCCCC2)O1	REAL250004572659	1	30	-1.0	-37.22	267.78	-1.49	-38.71
FC1=CC=C(CSC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004572660	0	23	-1.0	-36.42	243.26	5.19	-31.23
FC1=CC=C(CSC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004572660	1	23	-1.0	-36.06	242.85	5.20	-30.86
FC(F)(F)C1CCCCC1CSC1=N[N-]N=N1	REAL250004572661	0	29	-1.0	-40.53	245.39	4.89	-35.64
FC(F)(F)C1CCCCC1CSC1=NN=N[N-]1	REAL250004572661	1	29	-1.0	-40.37	244.98	4.90	-35.47
FC(F)(F)C1=CC(CSC2=N[N-]N=N2)=CS1	REAL250004572662	0	20	-1.0	-35.95	229.56	4.27	-31.68
FC(F)(F)C1=CC(CSC2=NN=N[N-]2)=CS1	REAL250004572662	1	20	-1.0	-35.64	229.14	4.27	-31.37
FC(F)(F)C1=C(CSC2=N[N-]N=N2)C=CS1	REAL250004572663	0	20	-1.0	-39.56	223.04	4.08	-35.48
FC(F)(F)C1=C(CSC2=NN=N[N-]2)C=CS1	REAL250004572663	1	20	-1.0	-39.34	222.63	4.09	-35.25
CC1=C(CSC2=N[N-]N=N2)C(Br)=NO1	REAL250004572664	0	19	-1.0	-36.50	217.18	2.86	-33.64
CC1=C(CSC2=NN=N[N-]2)C(Br)=NO1	REAL250004572664	1	19	-1.0	-36.19	216.77	2.86	-33.33
CC1CC(CSC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL250004572665	0	40	-1.0	-39.55	328.60	4.96	-34.59
CC1CC(CSC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL250004572665	1	40	-1.0	-39.21	328.18	4.96	-34.25
C1=NC=C(C2=NC=C(CSC3=NN=N[N-]3)C=N2)C=N1	REAL250004572666	0	26	-1.0	-37.22	257.61	3.41	-33.81
C1=NC=C(C2=NC=C(CSC3=N[N-]N=N3)C=N2)C=N1	REAL250004572666	1	26	-1.0	-37.63	258.02	3.40	-34.23
CC(C)(C)OC(=O)N1CC(CSC2=N[N-]N=N2)C1	REAL250004572667	0	34	-1.0	-39.78	294.45	3.51	-36.27
CC(C)(C)OC(=O)N1CC(CSC2=NN=N[N-]2)C1	REAL250004572667	1	34	-1.0	-39.43	294.04	3.53	-35.90
FC(F)(F)C1=NN=C(CCCSC2=N[N-]N=N2)O1	REAL250004572668	0	24	-1.0	-38.21	253.50	-0.95	-39.16
FC(F)(F)C1=NN=C(CCCSC2=NN=N[N-]2)O1	REAL250004572668	1	24	-1.0	-37.79	253.09	-0.93	-38.72
CC(C)(C)OCCCCCCCSC1=N[N-]N=N1	REAL250004572669	0	41	-1.0	-37.86	336.35	6.20	-31.66
CC(C)(C)OCCCCCCCSC1=NN=N[N-]1	REAL250004572669	1	41	-1.0	-37.63	335.94	6.21	-31.42
C(SC1=N[N-]N=N1)C1=NOC(N2CCCC2)=N1	REAL250004572670	0	27	-1.0	-39.10	249.09	-0.26	-39.36
C(SC1=NN=N[N-]1)C1=NOC(N2CCCC2)=N1	REAL250004572670	1	27	-1.0	-38.88	248.68	-0.25	-39.13
C(SC1=N[N-]N=N1)C1=NN=C(N2CCOCC2)O1	REAL250004572671	0	28	-1.0	-37.82	259.35	-3.99	-41.81
C(SC1=NN=N[N-]1)C1=NN=C(N2CCOCC2)O1	REAL250004572671	1	28	-1.0	-37.52	258.94	-3.98	-41.50
CC(C)(C)OC(=O)N1CCC(CSC2=N[N-]N=N2)CC1	REAL250004572672	0	40	-1.0	-40.44	323.68	5.05	-35.39
CC(C)(C)OC(=O)N1CCC(CSC2=NN=N[N-]2)CC1	REAL250004572672	1	40	-1.0	-40.18	323.27	5.06	-35.12
FC1=C(Cl)C=CC(CSC2=N[N-]N=N2)=C1F	REAL250004572673	0	20	-1.0	-38.41	226.72	4.74	-33.67
FC1=C(Cl)C=CC(CSC2=NN=N[N-]2)=C1F	REAL250004572673	1	20	-1.0	-38.12	226.31	4.74	-33.38
CC1=CC(Br)=CC(C)=C1CSC1=N[N-]N=N1	REAL250004572674	0	26	-1.0	-36.14	254.31	5.82	-30.32
CC1=CC(Br)=CC(C)=C1CSC1=NN=N[N-]1	REAL250004572674	1	26	-1.0	-35.88	253.89	5.82	-30.06
C1=C(CC2=CC=CC=C2)ON=C1CSC1=N[N-]N=N1	REAL250004572675	0	29	-1.0	-40.18	277.26	6.05	-34.13
C1=C(CC2=CC=CC=C2)ON=C1CSC1=NN=N[N-]1	REAL250004572675	1	29	-1.0	-39.92	276.85	6.06	-33.86
FC(F)(F)C1=CSC=C1CSC1=N[N-]N=N1	REAL250004572676	0	20	-1.0	-40.32	222.62	3.94	-36.38
FC(F)(F)C1=CSC=C1CSC1=NN=N[N-]1	REAL250004572676	1	20	-1.0	-40.08	222.20	3.96	-36.12
CC1=NC(CSC2=N[N-]N=N2)=CC=C1Br	REAL250004572677	0	22	-1.0	-38.07	233.69	3.42	-34.65
CC1=NC(CSC2=NN=N[N-]2)=CC=C1Br	REAL250004572677	1	22	-1.0	-37.76	233.27	3.42	-34.34
CC1=CC(CSC2=NN=N[N-]2)=CN=C1Br	REAL250004572678	0	22	-1.0	-36.20	233.09	3.43	-32.77
CC1=CC(CSC2=N[N-]N=N2)=CN=C1Br	REAL250004572678	1	22	-1.0	-36.55	233.50	3.42	-33.13
COC1=CC(CSC2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004572679	0	28	-1.0	-40.42	267.45	3.62	-36.80
COC1=CC(CSC2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004572679	1	28	-1.0	-40.17	267.04	3.62	-36.55
N#CC1=CC(F)=CC(C#CCSC2=N[N-]N=N2)=C1	REAL250004572680	0	23	-1.0	-37.14	253.88	6.09	-31.05
N#CC1=CC(F)=CC(C#CCSC2=NN=N[N-]2)=C1	REAL250004572680	1	23	-1.0	-36.87	253.47	6.09	-30.78
FC(F)(F)[C@@H]1CC=CC[C@H]1CSC1=N[N-]N=N1	REAL250004572681	0	27	-1.0	-38.76	244.87	5.05	-33.71
FC(F)(F)[C@@H]1CC=CC[C@H]1CSC1=NN=N[N-]1	REAL250004572681	1	27	-1.0	-38.58	244.45	5.05	-33.53
C1=CC=C(CC2=CC=C(CSC3=NN=N[N-]3)C=C2)C=C1	REAL250004572682	0	33	-1.0	-39.19	301.33	8.61	-30.58
C1=CC=C(CC2=CC=C(CSC3=N[N-]N=N3)C=C2)C=C1	REAL250004572682	1	33	-1.0	-39.38	301.74	8.61	-30.77
FC(F)(F)C1=CC(CSC2=N[N-]N=N2)=NS1	REAL250004572683	0	19	-1.0	-35.04	224.56	2.89	-32.15
FC(F)(F)C1=CC(CSC2=NN=N[N-]2)=NS1	REAL250004572683	1	19	-1.0	-34.75	224.15	2.90	-31.85
FC(F)C(CCSC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572684	0	29	-1.0	-38.45	266.79	6.22	-32.23
FC(F)C(CCSC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572684	1	29	-1.0	-38.16	266.38	6.22	-31.94
C1=CN(CC2=CC=CC=C2)N=C1CSC1=NN=N[N-]1	REAL250004572685	0	30	-1.0	-43.93	282.83	5.68	-38.25
C1=CN(CC2=CC=CC=C2)N=C1CSC1=N[N-]N=N1	REAL250004572685	1	30	-1.0	-44.11	283.24	5.68	-38.43
C1=C(CSC2=NN=N[N-]2)NN=C1C1=CC=CC=C1	REAL250004572686	0	27	-1.0	-37.56	257.93	4.04	-33.52
C1=C(CSC2=N[N-]N=N2)NN=C1C1=CC=CC=C1	REAL250004572686	1	27	-1.0	-37.83	258.34	4.03	-33.80
CC(C)(C)OC(=O)NCCOCCSC1=N[N-]N=N1	REAL250004572687	0	37	-1.0	-41.67	321.00	1.01	-40.66
CC(C)(C)OC(=O)NCCOCCSC1=NN=N[N-]1	REAL250004572687	1	37	-1.0	-41.57	320.58	1.01	-40.56
CC(C)(C)OC(=O)N[C@H]1C[C@H](CSC2=N[N-]N=N2)C1	REAL250004572688	0	37	-1.0	-40.71	313.08	3.03	-37.68
CC(C)(C)OC(=O)N[C@H]1C[C@H](CSC2=NN=N[N-]2)C1	REAL250004572688	1	37	-1.0	-40.40	312.66	3.04	-37.36
COC1=CC=C(C2CCC(SC3=N[N-]N=N3)C2)C=C1F	REAL250004572689	0	34	-1.0	-43.99	295.43	5.95	-38.04
COC1=CC=C(C2CCC(SC3=NN=N[N-]3)C2)C=C1F	REAL250004572689	1	34	-1.0	-43.77	293.87	5.96	-37.81
CCOC(=O)C1=CN=C(C)N=C1CSC1=N[N-]N=N1	REAL250004572690	0	30	-1.0	-43.50	280.83	3.47	-40.03
CCOC(=O)C1=CN=C(C)N=C1CSC1=NN=N[N-]1	REAL250004572690	1	30	-1.0	-43.40	280.41	3.48	-39.92
CC(=O)NCC1=CC=C(CSC2=NN=N[N-]2)C=C1	REAL250004572691	0	30	-1.0	-41.39	280.71	3.17	-38.22
CC(=O)NCC1=CC=C(CSC2=N[N-]N=N2)C=C1	REAL250004572691	1	30	-1.0	-41.68	281.12	3.17	-38.51
O=[N+]([O-])C1=CC=CC(CSC2=NN=N[N-]2)=C1F	REAL250004572692	0	22	-1.0	-44.51	230.17	4.80	-39.71
O=[N+]([O-])C1=CC=CC(CSC2=N[N-]N=N2)=C1F	REAL250004572692	1	22	-1.0	-44.82	230.58	4.80	-40.02
CC1=C(CSC2=NN=N[N-]2)N=C(C2=CC=CC=C2C)O1	REAL250004572693	0	32	-1.0	-42.32	295.23	3.79	-38.53
CC1=C(CSC2=N[N-]N=N2)N=C(C2=CC=CC=C2C)O1	REAL250004572693	1	32	-1.0	-42.51	295.65	3.78	-38.73
CC(F)(F)C1=CC=CC(CSC2=N[N-]N=N2)=N1	REAL250004572694	0	25	-1.0	-38.69	248.08	4.07	-34.62
CC(F)(F)C1=CC=CC(CSC2=NN=N[N-]2)=N1	REAL250004572694	1	25	-1.0	-38.43	247.67	4.07	-34.36
O=C(CSC1=N[N-]N=N1)C12CC3CC(CC(C3)C1)C2	REAL250004572695	0	36	-1.0	-37.92	281.18	5.89	-32.03
O=C(CSC1=NN=N[N-]1)C12CC3CC(CC(C3)C1)C2	REAL250004572695	1	36	-1.0	-37.50	280.78	5.90	-31.60
C1=C(C2CCCC2)ON=C1CSC1=N[N-]N=N1	REAL250004572696	0	29	-1.0	-38.89	261.41	4.93	-33.96
C1=C(C2CCCC2)ON=C1CSC1=NN=N[N-]1	REAL250004572696	1	29	-1.0	-38.69	261.00	4.94	-33.75
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CSC2=N[N-]N=N2)C1	REAL250004572697	0	37	-1.0	-40.61	313.27	2.96	-37.65
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CSC2=NN=N[N-]2)C1	REAL250004572697	1	37	-1.0	-40.22	312.86	2.98	-37.24
FC(F)(F)C1=CC=C(CCSC2=N[N-]N=N2)C=C1	REAL250004572698	0	26	-1.0	-37.28	259.17	5.93	-31.35
FC(F)(F)C1=CC=C(CCSC2=NN=N[N-]2)C=C1	REAL250004572698	1	26	-1.0	-37.04	258.76	5.94	-31.10
C1=C(C2=CC=CC=C2)OC(CSC2=NN=N[N-]2)=N1	REAL250004572699	0	26	-1.0	-39.59	253.72	2.62	-36.97
C1=C(C2=CC=CC=C2)OC(CSC2=N[N-]N=N2)=N1	REAL250004572699	1	26	-1.0	-39.81	254.13	2.61	-37.20
C(SC1=N[N-]N=N1)C1CCC2(CCCCCCC2)O1	REAL250004572700	0	40	-1.0	-40.22	297.97	6.26	-33.96
C(SC1=NN=N[N-]1)C1CCC2(CCCCCCC2)O1	REAL250004572700	1	40	-1.0	-39.93	297.55	6.27	-33.66
COC(=O)C1=CC=CC(CSC2=NN=N[N-]2)=C1Cl	REAL250004572701	0	26	-1.0	-44.04	263.18	5.11	-38.93
COC(=O)C1=CC=CC(CSC2=N[N-]N=N2)=C1Cl	REAL250004572701	1	26	-1.0	-44.31	263.59	5.10	-39.21
COC1=NC2=CC=CC=C2C=C1CSC1=NN=N[N-]1	REAL250004572702	0	29	-1.0	-41.95	270.47	3.10	-38.85
COC1=NC2=CC=CC=C2C=C1CSC1=N[N-]N=N1	REAL250004572702	1	29	-1.0	-42.19	270.88	3.09	-39.10
CC1=C(CSC2=NN=N[N-]2)N=C(C2=CC=C(F)C=C2)O1	REAL250004572703	0	29	-1.0	-39.65	282.74	3.42	-36.23
CC1=C(CSC2=N[N-]N=N2)N=C(C2=CC=C(F)C=C2)O1	REAL250004572703	1	29	-1.0	-39.86	283.16	3.41	-36.45
CCCCSC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572704	0	33	-1.0	-39.13	303.62	7.58	-31.55
CCCCSC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572704	1	33	-1.0	-38.89	303.21	7.58	-31.31
C1=CC(CSC2=NN=N[N-]2)=CC(OCC2CC2)=C1	REAL250004572705	0	31	-1.0	-39.45	281.56	5.95	-33.50
C1=CC(CSC2=N[N-]N=N2)=CC(OCC2CC2)=C1	REAL250004572705	1	31	-1.0	-39.70	281.98	5.95	-33.75
CC1=CC(C(F)(F)F)=CC=C1CSC1=N[N-]N=N1	REAL250004572706	0	26	-1.0	-35.97	254.76	5.67	-30.30
CC1=CC(C(F)(F)F)=CC=C1CSC1=NN=N[N-]1	REAL250004572706	1	26	-1.0	-35.61	254.34	5.67	-29.94
COCCCC1=CC=CC(CSC2=N[N-]N=N2)=C1	REAL250004572707	0	33	-1.0	-40.35	297.00	5.43	-34.92
COCCCC1=CC=CC(CSC2=NN=N[N-]2)=C1	REAL250004572707	1	33	-1.0	-40.10	296.59	5.43	-34.67
CC1=CC=C(CSC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004572708	0	25	-1.0	-40.15	242.72	5.34	-34.81
CC1=CC=C(CSC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004572708	1	25	-1.0	-40.50	243.13	5.34	-35.16
O=C1C=C(CSC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004572709	0	26	-1.0	-40.66	246.33	3.06	-37.60
O=C1C=C(CSC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004572709	1	26	-1.0	-40.87	246.76	3.05	-37.82
CN1C=C(CSC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004572710	0	23	-1.0	-42.56	237.95	2.76	-39.80
CN1C=C(CSC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004572710	1	23	-1.0	-42.88	238.37	2.76	-40.12
FC(F)(F)C1=CSC(CSC2=N[N-]N=N2)=C1	REAL250004572711	0	20	-1.0	-36.08	229.10	4.28	-31.80
FC(F)(F)C1=CSC(CSC2=NN=N[N-]2)=C1	REAL250004572711	1	20	-1.0	-35.80	228.69	4.28	-31.52
ClC1=CC=CC(C2=CC(CSC3=NN=N[N-]3)=NO2)=C1	REAL250004572712	0	26	-1.0	-38.62	270.22	5.71	-32.91
ClC1=CC=CC(C2=CC(CSC3=N[N-]N=N3)=NO2)=C1	REAL250004572712	1	26	-1.0	-38.85	270.63	5.70	-33.15
FC1=CC=C(C2=CC(CSC3=NN=N[N-]3)=NO2)C=C1	REAL250004572713	0	26	-1.0	-38.32	259.89	5.27	-33.05
FC1=CC=C(C2=CC(CSC3=N[N-]N=N3)=NO2)C=C1	REAL250004572713	1	26	-1.0	-38.61	260.30	5.26	-33.35
FC1=CC=CC=C1C1=CC(CSC2=NN=N[N-]2)=NO1	REAL250004572714	0	26	-1.0	-41.85	261.54	5.33	-36.52
FC1=CC=CC=C1C1=CC(CSC2=N[N-]N=N2)=NO1	REAL250004572714	1	26	-1.0	-42.09	261.96	5.32	-36.77
BrC1=NC=CC=C1CSC1=NN=N[N-]1	REAL250004572715	0	19	-1.0	-39.99	211.63	2.79	-37.20
BrC1=NC=CC=C1CSC1=N[N-]N=N1	REAL250004572715	1	19	-1.0	-40.30	212.04	2.78	-37.52
FC(F)(F)C1=NC=CN=C1CSC1=N[N-]N=N1	REAL250004572716	0	21	-1.0	-42.78	221.14	1.31	-41.47
FC(F)(F)C1=NC=CN=C1CSC1=NN=N[N-]1	REAL250004572716	1	21	-1.0	-42.62	220.72	1.32	-41.30
CC1=NC=C([N+](=O)[O-])N1CC(O)CSC1=N[N-]N=N1	REAL250004572717	0	29	-1.0	-43.58	274.13	2.66	-40.92
CC1=NC=C([N+](=O)[O-])N1CC(O)CSC1=NN=N[N-]1	REAL250004572717	1	29	-1.0	-43.11	273.71	2.66	-40.45
CC(C)(C)OC(=O)NC1CC(CSC2=N[N-]N=N2)C1	REAL250004572718	0	37	-1.0	-40.71	313.07	3.03	-37.68
CC(C)(C)OC(=O)NC1CC(CSC2=NN=N[N-]2)C1	REAL250004572718	1	37	-1.0	-40.37	312.66	3.04	-37.33
C1=COC(CN2N=NN=C2SCCC2=NN=N[N-]2)=C1	REAL250004572719	0	28	-1.0	-43.71	273.99	2.91	-40.80
C1=COC(CN2N=NN=C2SCCC2=N[N-]N=N2)=C1	REAL250004572719	1	28	-1.0	-43.69	273.94	2.90	-40.79
CCN1C=C(C#N)C(=O)N(CCC2=N[N-]N=N2)C1=O	REAL250004572720	0	29	-1.0	-53.10	267.83	3.45	-49.65
CCN1C=C(C#N)C(=O)N(CCC2=NN=N[N-]2)C1=O	REAL250004572720	1	29	-1.0	-53.06	267.89	3.46	-49.60
N#CC1=CC2=C(CCCC2)N=C1SCCC1=N[N-]N=N1	REAL250004572721	0	33	-1.0	-41.33	296.77	5.98	-35.35
N#CC1=CC2=C(CCCC2)N=C1SCCC1=NN=N[N-]1	REAL250004572721	1	33	-1.0	-41.34	296.83	6.00	-35.34
COCCN1C(SCCC2=N[N-]N=N2)=NC(C)=C1C	REAL250004572722	0	36	-1.0	-43.68	316.87	4.36	-39.32
COCCN1C(SCCC2=NN=N[N-]2)=NC(C)=C1C	REAL250004572722	1	36	-1.0	-43.66	316.93	4.37	-39.29
C1=NC(SCCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004572723	0	29	-1.0	-44.07	274.24	6.56	-37.51
C1=NC(SCCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004572723	1	29	-1.0	-44.07	274.19	6.54	-37.53
CN1N=CC2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL250004572724	0	27	-1.0	-40.07	258.41	3.92	-36.15
CN1N=CC2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL250004572724	1	27	-1.0	-40.06	258.36	3.90	-36.16
CC1=NC(C)=C(C#N)C(SCCC2=N[N-]N=N2)=N1	REAL250004572725	0	28	-1.0	-37.72	270.27	3.75	-33.97
CC1=NC(C)=C(C#N)C(SCCC2=NN=N[N-]2)=N1	REAL250004572725	1	28	-1.0	-37.71	270.33	3.77	-33.94
COC(=O)C1=CN(CCC2=N[N-]N=N2)C(=O)C(C#N)=C1	REAL250004572726	0	29	-1.0	-44.67	277.25	3.66	-41.01
COC(=O)C1=CN(CCC2=NN=N[N-]2)C(=O)C(C#N)=C1	REAL250004572726	1	29	-1.0	-44.67	277.31	3.68	-40.99
NC(=O)C1=CC([N+](=O)[O-])=CN(CCC2=NN=N[N-]2)C1=O	REAL250004572727	0	28	-1.0	-38.34	262.07	0.33	-38.01
NC(=O)C1=CC([N+](=O)[O-])=CN(CCC2=N[N-]N=N2)C1=O	REAL250004572727	1	28	-1.0	-38.37	262.01	0.31	-38.06
C1=CSC(CC2=NC(SCCC3=N[N-]N=N3)=NN2)=C1	REAL250004572730	0	29	-1.0	-42.35	288.53	4.53	-37.82
C1=CSC(CC2=NC(SCCC3=NN=N[N-]3)=NN2)=C1	REAL250004572730	1	29	-1.0	-42.33	288.58	4.54	-37.79
C(=CC1=CC=CC=C1)C1=NC(SCCC2=N[N-]N=N2)=NN1	REAL250004572731	0	33	-1.0	-42.67	307.80	6.11	-36.56
C(=CC1=CC=CC=C1)C1=NC(SCCC2=NN=N[N-]2)=NN1	REAL250004572731	1	33	-1.0	-42.69	307.86	6.12	-36.57
CCCCN1C(SCCC2=N[N-]N=N2)=NC(C)=C1C	REAL250004572732	0	38	-1.0	-44.32	326.20	6.85	-37.47
CCCCN1C(SCCC2=NN=N[N-]2)=NC(C)=C1C	REAL250004572732	1	38	-1.0	-44.31	326.26	6.86	-37.45
CC(C)(C)C1=NN=C(SCCC2=N[N-]N=N2)N1	REAL250004572733	0	31	-1.0	-44.41	276.97	3.87	-40.54
FC1=C(F)C=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004572734	0	26	-1.0	-40.19	258.93	3.83	-36.36
FC1=C(F)C=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004572734	1	26	-1.0	-40.18	258.98	3.84	-36.34
O=C1C(C(F)(F)F)=CC=CN1CCC1=N[N-]N=N1	REAL250004572735	0	25	-1.0	-48.16	239.57	3.61	-44.55
O=C1C(C(F)(F)F)=CC=CN1CCC1=NN=N[N-]1	REAL250004572735	1	25	-1.0	-48.17	239.63	3.63	-44.54
COC(=O)C1=CC=C(SCCC2=N[N-]N=N2)C=C1	REAL250004572736	0	29	-1.0	-36.87	271.36	5.40	-31.47
COC(=O)C1=CC=C(SCCC2=NN=N[N-]2)C=C1	REAL250004572736	1	29	-1.0	-36.88	271.41	5.41	-31.47
CC1=NN=C(SCCC2=N[N-]N=N2)C(C#N)=C1C	REAL250004572737	0	28	-1.0	-43.29	265.81	3.36	-39.93
CC1=NN=C(SCCC2=NN=N[N-]2)C(C#N)=C1C	REAL250004572737	1	28	-1.0	-43.26	265.87	3.38	-39.88
COC(=O)C1=CC=CN=C1SCCC1=NN=N[N-]1	REAL250004572738	0	28	-1.0	-45.19	264.83	3.79	-41.40
COC(=O)C1=CC=CN=C1SCCC1=N[N-]N=N1	REAL250004572738	1	28	-1.0	-45.19	264.77	3.77	-41.42
CC1=NC2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL250004572739	0	30	-1.0	-43.47	274.35	3.99	-39.48
CC1=NC2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL250004572739	1	30	-1.0	-43.47	274.30	3.97	-39.50
C1=CC2=CN=NC(SCCC3=NN=N[N-]3)=C2C=C1	REAL250004572740	0	27	-1.0	-48.17	253.47	4.29	-43.88
C1=CC2=CN=NC(SCCC3=N[N-]N=N3)=C2C=C1	REAL250004572740	1	27	-1.0	-48.18	253.41	4.28	-43.90
C1=C(C2=CC=CC=C2)N=C(SCCC2=NN=N[N-]2)N1	REAL250004572741	0	30	-1.0	-46.64	278.89	5.27	-41.37
C1=C(C2=CC=CC=C2)N=C(SCCC2=N[N-]N=N2)N1	REAL250004572741	1	30	-1.0	-46.66	278.84	5.25	-41.41
CCOC1=CC=C2NC(SCCC3=N[N-]N=N3)=NC2=C1	REAL250004572742	0	33	-1.0	-46.18	297.54	3.92	-42.26
CCOC1=CC=C2NC(SCCC3=NN=N[N-]3)=NC2=C1	REAL250004572742	1	33	-1.0	-46.23	297.60	3.94	-42.29
C1=CC=C(C2=NN=C(OCCC3=N[N-]N=N3)O2)C=C1	REAL250004572743	0	28	-1.0	-39.55	260.77	-1.15	-40.70
C1=CC=C(C2=NN=C(OCCC3=NN=N[N-]3)O2)C=C1	REAL250004572743	1	28	-1.0	-39.59	260.83	-1.13	-40.72
NC1=NN=C(SCCC2=NN=N[N-]2)N1C1CC1	REAL250004572744	0	28	-1.0	-49.14	253.95	4.50	-44.64
NC1=NN=C(SCCC2=N[N-]N=N2)N1C1CC1	REAL250004572744	1	28	-1.0	-49.11	253.89	4.48	-44.63
CC1=CC2=NN=C(SCCC3=N[N-]N=N3)N2C(C)=N1	REAL250004572745	0	30	-1.0	-45.49	275.71	5.56	-39.93
CC1=CC2=NN=C(SCCC3=NN=N[N-]3)N2C(C)=N1	REAL250004572745	1	30	-1.0	-45.52	275.77	5.57	-39.95
CN1C(SCCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL250004572746	0	35	-1.0	-45.86	308.16	3.42	-42.44
CN1C(SCCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL250004572746	1	35	-1.0	-45.88	308.10	3.40	-42.48
COC(=O)C1=CN(CCC2=N[N-]N=N2)C(=O)C([N+](=O)[O-])=C1	REAL250004572747	0	30	-1.0	-46.32	282.90	4.83	-41.49
COC(=O)C1=CN(CCC2=NN=N[N-]2)C(=O)C([N+](=O)[O-])=C1	REAL250004572747	1	30	-1.0	-46.36	282.96	4.85	-41.51
C1=CC(C2CCCCC2)=CC=C1SCCC1=N[N-]N=N1	REAL250004572748	0	39	-1.0	-36.58	318.59	8.56	-28.02
C1=CC(C2CCCCC2)=CC=C1SCCC1=NN=N[N-]1	REAL250004572748	1	39	-1.0	-36.60	318.66	8.57	-28.03
CC1=NC2=NC(SCCC3=N[N-]N=N3)=NN2C(C)=C1C	REAL250004572749	0	33	-1.0	-52.56	294.18	6.69	-45.87
CC1=NC2=NC(SCCC3=NN=N[N-]3)=NN2C(C)=C1C	REAL250004572749	1	33	-1.0	-52.55	294.24	6.70	-45.85
OC(CSCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004572750	0	30	-1.0	-37.77	271.87	3.30	-34.47
OC(CSCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004572750	1	30	-1.0	-37.78	271.93	3.32	-34.46
CN1C2=CC=C(Cl)C=C2N=C1SCCC1=NN=N[N-]1	REAL250004572751	0	29	-1.0	-44.42	284.45	5.91	-38.51
CN1C2=CC=C(Cl)C=C2N=C1SCCC1=N[N-]N=N1	REAL250004572751	1	29	-1.0	-44.46	284.39	5.89	-38.57
C1=CC=C(C2=CC=C(SCCC3=NN=N[N-]3)C=C2)C=C1	REAL250004572752	0	33	-1.0	-38.06	290.99	8.19	-29.87
C1=CC=C(C2=CC=C(SCCC3=N[N-]N=N3)C=C2)C=C1	REAL250004572752	1	33	-1.0	-38.07	290.93	8.17	-29.90
ClC1(Cl)CC1CSCCC1=N[N-]N=N1	REAL250004572753	0	23	-1.0	-36.50	245.80	5.23	-31.27
ClC1(Cl)CC1CSCCC1=NN=N[N-]1	REAL250004572753	1	23	-1.0	-36.52	245.86	5.24	-31.28
FC1=CC(F)=C(SCCC2=N[N-]N=N2)C(F)=C1	REAL250004572754	0	23	-1.0	-36.57	239.02	5.04	-31.53
FC1=CC(F)=C(SCCC2=NN=N[N-]2)C(F)=C1	REAL250004572754	1	23	-1.0	-36.59	239.07	5.06	-31.53
FC(F)(F)C1=CC=NC(OCCC2=NN=N[N-]2)=N1	REAL250004572755	0	24	-1.0	-39.83	238.68	-0.36	-40.19
FC(F)(F)C1=CC=NC(OCCC2=N[N-]N=N2)=N1	REAL250004572755	1	24	-1.0	-39.79	238.62	-0.38	-40.17
CC(C)OC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004572756	0	28	-1.0	-39.93	276.04	0.85	-39.08
CC(C)OC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004572756	1	28	-1.0	-39.91	275.98	0.83	-39.08
O=[N+]([O-])C1=NN(CCC2=N[N-]N=N2)C=C1Br	REAL250004572757	0	21	-1.0	-36.94	228.12	3.72	-33.22
O=[N+]([O-])C1=NN(CCC2=NN=N[N-]2)C=C1Br	REAL250004572757	1	21	-1.0	-36.90	228.18	3.73	-33.17
C1=C(C2=CC=CC=C2)OC(SCCC2=NN=N[N-]2)=N1	REAL250004572758	0	29	-1.0	-40.66	275.05	3.43	-37.23
C1=C(C2=CC=CC=C2)OC(SCCC2=N[N-]N=N2)=N1	REAL250004572758	1	29	-1.0	-40.64	274.99	3.41	-37.23
C1=CN=CC(C2=NC(SCCC3=N[N-]N=N3)=NN2)=C1	REAL250004572759	0	28	-1.0	-42.44	269.85	3.02	-39.42
C1=CN=CC(C2=NC(SCCC3=NN=N[N-]3)=NN2)=C1	REAL250004572759	1	28	-1.0	-42.46	269.90	3.04	-39.42
C(CC1=NN=N[N-]1)SC1=NN=C(N2CCOCC2)S1	REAL250004572760	0	31	-1.0	-42.27	290.33	0.98	-41.29
C(CC1=N[N-]N=N1)SC1=NN=C(N2CCOCC2)S1	REAL250004572760	1	31	-1.0	-42.28	290.27	0.97	-41.31
BrC1=CC=C(SCCC2=NN=N[N-]2)N=C1	REAL250004572761	0	22	-1.0	-38.54	236.25	3.78	-34.76
BrC1=CC=C(SCCC2=N[N-]N=N2)N=C1	REAL250004572761	1	22	-1.0	-38.53	236.19	3.77	-34.76
C(CC1=NN=N[N-]1)SC1=NN=C(N2CCCC2)S1	REAL250004572762	0	30	-1.0	-41.85	281.39	2.57	-39.28
C(CC1=N[N-]N=N1)SC1=NN=C(N2CCCC2)S1	REAL250004572762	1	30	-1.0	-41.83	281.33	2.56	-39.27
O=C1ON=C(C2=CC=CS2)N1CCC1=NN=N[N-]1	REAL250004572763	0	25	-1.0	-36.66	244.75	4.42	-32.24
O=C1ON=C(C2=CC=CS2)N1CCC1=N[N-]N=N1	REAL250004572763	1	25	-1.0	-36.66	244.69	4.40	-32.26
C1=CC=C2C(=C1)CCCC2SCCC1=N[N-]N=N1	REAL250004572764	0	33	-1.0	-37.28	279.22	7.23	-30.05
C1=CC=C2C(=C1)CCCC2SCCC1=NN=N[N-]1	REAL250004572764	1	33	-1.0	-37.27	279.27	7.25	-30.02
COC1=CC=CC(CSCCC2=N[N-]N=N2)=C1	REAL250004572765	0	30	-1.0	-38.36	272.19	4.97	-33.39
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CCOC(=O)C1CCC(SCCC2=N[N-]N=N2)CC1	REAL250004572902	0	38	-1.0	-38.15	319.18	6.74	-31.41
CCOC(=O)C1CCC(SCCC2=NN=N[N-]2)CC1	REAL250004572902	1	38	-1.0	-38.13	319.24	6.76	-31.37
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NC1=NC(SCCC2=N[N-]N=N2)=NC=C1[N+](=O)[O-]	REAL250004572903	1	25	-1.0	-36.90	247.65	1.94	-34.96
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O=[N+]([O-])C1=CC([N+](=O)[O-])=NN1CCC1=NN=N[N-]1	REAL250004572907	0	23	-1.0	-34.54	235.72	4.66	-29.88
O=[N+]([O-])C1=CC([N+](=O)[O-])=NN1CCC1=N[N-]N=N1	REAL250004572907	1	23	-1.0	-34.59	235.66	4.65	-29.94
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CC(=O)N1CCC(SCCC2=NN=N[N-]2)CC1	REAL250004572920	1	33	-1.0	-42.82	277.03	3.97	-38.85
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OC(C1=NC=CN1CCC1=NN=N[N-]1)C1CCCCC1	REAL250004572930	1	39	-1.0	-35.50	309.81	3.04	-32.46
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COC1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=N1	REAL250004573022	1	28	-1.0	-39.72	277.45	0.77	-38.95
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CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NO1	REAL250004573053	0	29	-1.0	-44.87	271.97	3.10	-41.77
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CSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573056	0	27	-1.0	-49.00	259.84	3.13	-45.87
CSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573056	1	27	-1.0	-49.01	259.90	3.13	-45.88
CSCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573057	0	30	-1.0	-44.48	281.51	3.94	-40.54
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CC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573059	0	32	-1.0	-46.05	274.43	3.92	-42.13
CC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573059	1	32	-1.0	-46.01	274.49	3.91	-42.10
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CCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573063	0	32	-1.0	-46.37	279.77	4.25	-42.12
CCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573063	1	32	-1.0	-46.37	279.83	4.24	-42.13
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CC1=CN=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL250004573073	1	31	-1.0	-46.43	285.86	2.04	-44.39
CC(C)(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573074	0	35	-1.0	-45.23	289.97	4.58	-40.65
CC(C)(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573074	1	35	-1.0	-45.20	290.03	4.58	-40.62
CC(=O)NC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573075	0	33	-1.0	-45.42	293.66	1.21	-44.21
CC(=O)NC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573075	1	33	-1.0	-45.34	293.72	1.20	-44.14
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CC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573078	0	32	-1.0	-46.01	275.00	4.07	-41.94
CC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573078	1	32	-1.0	-45.99	275.06	4.06	-41.93
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CCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573080	0	35	-1.0	-46.29	301.27	5.03	-41.26
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CCCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573083	0	35	-1.0	-46.11	294.90	4.75	-41.36
CCCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573083	1	35	-1.0	-46.13	294.95	4.75	-41.38
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CCC(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573086	0	35	-1.0	-46.71	289.95	4.56	-42.15
CCC(CC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573086	1	35	-1.0	-46.66	290.01	4.55	-42.11
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CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=CO1	REAL250004573089	0	30	-1.0	-45.92	273.01	3.78	-42.14
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CC(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573095	1	35	-1.0	-46.18	297.40	4.76	-41.42
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CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCC1	REAL250004573097	0	36	-1.0	-46.76	297.34	5.16	-41.60
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCC1	REAL250004573097	1	36	-1.0	-46.75	297.40	5.16	-41.59
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CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL250004573099	0	32	-1.0	-46.13	287.92	3.85	-42.28
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL250004573099	1	32	-1.0	-46.06	288.81	3.86	-42.20
CCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573100	0	32	-1.0	-46.09	273.89	4.01	-42.08
CCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573100	1	32	-1.0	-46.08	273.95	4.00	-42.08
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CC=CC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573102	0	31	-1.0	-46.41	284.67	4.75	-41.66
CC=CC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573102	1	31	-1.0	-46.41	284.73	4.75	-41.66
CC(C)=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573103	0	30	-1.0	-45.60	266.05	4.02	-41.58
CC(C)=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573103	1	30	-1.0	-45.56	266.12	4.02	-41.54
COC(=O)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573104	0	32	-1.0	-45.02	292.23	3.50	-41.52
COC(=O)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573104	1	32	-1.0	-45.00	292.30	3.49	-41.51
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CCCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573106	0	38	-1.0	-46.42	322.77	5.81	-40.61
CCCCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573106	1	38	-1.0	-46.37	322.83	5.81	-40.56
CC(C)SCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573107	0	33	-1.0	-48.71	299.58	4.66	-44.05
CC(C)SCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573107	1	33	-1.0	-48.65	299.64	4.65	-44.00
CCC=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573108	0	33	-1.0	-46.47	285.35	4.78	-41.69
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CC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004573109	0	32	-1.0	-46.99	290.14	3.90	-43.09
CC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004573109	1	32	-1.0	-47.00	290.20	3.89	-43.11
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CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573111	0	30	-1.0	-50.06	271.35	2.94	-47.12
CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573111	1	30	-1.0	-50.07	271.41	2.93	-47.14
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CC(C)OCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573113	0	36	-1.0	-44.96	312.57	3.49	-41.47
CC(C)OCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573113	1	36	-1.0	-44.93	312.64	3.48	-41.45
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CCOCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573116	0	36	-1.0	-49.52	313.80	3.51	-46.01
CCOCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573116	1	36	-1.0	-49.50	313.86	3.50	-46.00
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CSC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573119	0	30	-1.0	-49.16	277.46	3.71	-45.45
CSC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573119	1	30	-1.0	-49.16	277.52	3.69	-45.47
CCOC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573120	0	33	-1.0	-50.12	290.70	3.61	-46.51
CCOC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573120	1	33	-1.0	-50.08	290.76	3.60	-46.48
CC(C)(C#N)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573121	0	30	-1.0	-52.63	273.82	3.49	-49.14
CC(C)(C#N)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573121	1	30	-1.0	-52.59	273.88	3.48	-49.11
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CCSCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573127	0	33	-1.0	-44.52	302.97	4.83	-39.69
CCSCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573127	1	33	-1.0	-44.46	303.04	4.82	-39.64
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CCCSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573129	0	33	-1.0	-48.73	302.80	4.82	-43.91
CCCSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573129	1	33	-1.0	-48.72	302.86	4.82	-43.90
O=C(C=C1CCCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573130	0	34	-1.0	-46.62	291.33	5.31	-41.31
O=C(C=C1CCCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573130	1	34	-1.0	-46.56	291.40	5.29	-41.27
COC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573131	0	30	-1.0	-49.63	268.10	2.66	-46.97
COC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573131	1	30	-1.0	-49.55	268.15	2.66	-46.89
CCCC(C)=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573132	0	36	-1.0	-44.96	309.32	5.58	-39.38
CCCC(C)=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573132	1	36	-1.0	-44.91	309.39	5.57	-39.34
CCOC(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573133	0	36	-1.0	-49.35	305.81	4.27	-45.08
CCOC(CC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573133	1	36	-1.0	-49.32	305.88	4.27	-45.05
COC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573134	0	30	-1.0	-49.63	268.10	2.66	-46.97
COC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573134	1	30	-1.0	-49.55	268.15	2.66	-46.89
CC(C)OCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573135	0	33	-1.0	-50.11	291.62	3.67	-46.44
CC(C)OCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573135	1	33	-1.0	-50.11	291.69	3.67	-46.44
CC(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004573136	0	36	-1.0	-45.74	303.84	5.52	-40.22
CC(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004573136	1	36	-1.0	-45.70	303.90	5.52	-40.18
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=CO1	REAL250004573137	0	29	-1.0	-45.23	268.39	0.41	-44.82
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=CO1	REAL250004573137	1	29	-1.0	-45.20	268.33	0.42	-44.78
C=CCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573138	0	34	-1.0	-49.96	305.66	4.30	-45.66
C=CCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573138	1	34	-1.0	-49.98	305.72	4.29	-45.69
CN1N=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573139	0	30	-1.0	-46.41	269.57	2.93	-43.48
CN1N=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573139	1	30	-1.0	-46.44	269.50	2.93	-43.51
CCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573140	0	33	-1.0	-49.95	292.85	3.74	-46.21
CCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573140	1	33	-1.0	-49.91	292.91	3.73	-46.18
COCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573141	0	36	-1.0	-46.64	313.44	3.32	-43.32
COCCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573141	1	36	-1.0	-46.57	313.51	3.32	-43.25
CCC(OC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573142	0	33	-1.0	-49.38	285.73	3.38	-46.00
CCC(OC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573142	1	33	-1.0	-49.38	285.79	3.37	-46.01
CCC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573143	0	35	-1.0	-46.40	288.65	4.42	-41.98
CCC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573143	1	35	-1.0	-46.38	288.72	4.41	-41.97
COC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573144	0	33	-1.0	-47.38	289.58	3.24	-44.14
COC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573144	1	33	-1.0	-47.35	289.65	3.23	-44.12
CCCC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573145	0	38	-1.0	-46.07	313.89	5.48	-40.59
CCCC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573145	1	38	-1.0	-45.96	314.79	5.48	-40.48
C=CCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573146	0	30	-1.0	-46.07	271.09	4.03	-42.04
C=CCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573146	1	30	-1.0	-46.02	271.15	4.03	-41.99
CCOCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573147	0	33	-1.0	-44.90	292.30	2.74	-42.16
CCOCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573147	1	33	-1.0	-44.90	292.37	2.74	-42.16
COCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573148	0	30	-1.0	-44.95	270.45	1.78	-43.17
COCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573148	1	30	-1.0	-44.96	270.51	1.78	-43.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCOC1	REAL250004573149	0	34	-1.0	-44.86	287.94	2.86	-42.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCOC1	REAL250004573149	1	34	-1.0	-44.83	287.99	2.85	-41.98
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=N1	REAL250004573150	0	26	-1.0	-46.82	258.65	2.00	-44.82
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=N1	REAL250004573150	1	26	-1.0	-46.87	258.58	2.01	-44.86
CN1C=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004573151	0	30	-1.0	-49.71	277.01	2.79	-46.92
CN1C=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004573151	1	30	-1.0	-49.73	276.95	2.80	-46.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COC=N1	REAL250004573152	0	26	-1.0	-46.15	251.23	-0.41	-46.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COC=N1	REAL250004573152	1	26	-1.0	-46.17	250.34	-0.41	-46.58
COCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573153	0	33	-1.0	-44.54	288.11	2.47	-42.07
COCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573153	1	33	-1.0	-44.48	288.17	2.46	-42.02
C=CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573154	0	31	-1.0	-50.52	284.25	3.51	-47.01
C=CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573154	1	31	-1.0	-50.45	284.32	3.50	-46.95
CCCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573155	0	36	-1.0	-50.04	314.35	4.52	-45.52
CCCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573155	1	36	-1.0	-50.02	314.41	4.51	-45.51
CC(C)(C)C(=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573156	0	34	-1.0	-39.96	293.23	3.78	-36.18
CC(C)(C)C(=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573156	1	34	-1.0	-39.88	293.29	3.77	-36.11
CC1=NC=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573157	0	32	-1.0	-47.41	282.34	3.89	-43.52
CC1=NC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573157	1	32	-1.0	-47.38	282.40	3.88	-43.50
CSCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573158	0	33	-1.0	-44.05	298.36	4.50	-39.55
CSCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573158	1	33	-1.0	-44.02	298.43	4.49	-39.53
O=C(CCC1CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573159	0	33	-1.0	-46.41	289.89	5.04	-41.37
O=C(CCC1CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573159	1	33	-1.0	-46.40	289.95	5.03	-41.37
CC1=CC=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573160	0	32	-1.0	-45.23	282.73	3.92	-41.31
CC1=CC=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573160	1	32	-1.0	-45.21	282.79	3.91	-41.30
CC(C)C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573161	0	35	-1.0	-45.62	290.15	4.57	-41.05
CC(C)C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573161	1	35	-1.0	-45.56	290.21	4.56	-41.00
CC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)(C)C	REAL250004573162	0	38	-1.0	-45.16	301.69	4.94	-40.22
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)(C)C	REAL250004573162	1	38	-1.0	-45.15	301.75	4.93	-40.22
O=C(CC1=CC=CN=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573163	0	32	-1.0	-49.54	290.85	3.90	-45.64
O=C(CC1=CC=CN=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573163	1	32	-1.0	-49.52	290.79	3.91	-45.61
COC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573164	0	33	-1.0	-50.30	280.44	3.14	-47.16
COC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573164	1	33	-1.0	-50.27	280.51	3.13	-47.14
CC(C)(C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573165	0	38	-1.0	-46.05	313.50	5.16	-40.89
CC(C)(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573165	1	38	-1.0	-46.05	313.57	5.15	-40.90
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC=CC1	REAL250004573166	0	31	-1.0	-45.75	271.50	4.47	-41.28
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC=CC1	REAL250004573166	1	31	-1.0	-45.70	271.56	4.47	-41.23
O=C(CC1CCOC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573167	0	34	-1.0	-47.48	290.99	2.77	-44.71
O=C(CC1CCOC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573167	1	34	-1.0	-47.42	291.05	2.75	-44.67
O=C(CC1CCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573168	0	33	-1.0	-47.01	283.85	4.77	-42.24
O=C(CC1CCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573168	1	33	-1.0	-46.98	283.91	4.76	-42.22
CCC(C)(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573169	0	38	-1.0	-45.15	304.19	5.07	-40.08
CCC(C)(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573169	1	38	-1.0	-45.11	304.25	5.06	-40.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCS1	REAL250004573170	0	31	-1.0	-47.28	281.21	4.35	-42.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCS1	REAL250004573170	1	31	-1.0	-47.25	281.28	4.34	-42.91
O=C(CCC1CCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573171	0	36	-1.0	-46.26	306.51	5.55	-40.71
O=C(CCC1CCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573171	1	36	-1.0	-46.24	306.58	5.54	-40.70
CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004573172	0	33	-1.0	-46.92	289.50	4.67	-42.25
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004573172	1	33	-1.0	-46.84	289.57	4.66	-42.18
CC1=CN=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004573173	0	32	-1.0	-46.01	287.84	3.87	-42.14
CC1=CN=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004573173	1	32	-1.0	-46.02	287.78	3.87	-42.15
CC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004573174	0	33	-1.0	-45.89	285.69	4.84	-41.05
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004573174	1	33	-1.0	-45.87	285.75	4.83	-41.04
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)OC=N1	REAL250004573175	0	29	-1.0	-45.47	268.32	0.34	-45.13
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)OC=N1	REAL250004573175	1	29	-1.0	-45.46	268.37	0.33	-45.13
O=C(CN1C=CN=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573176	0	29	-1.0	-61.95	270.12	1.82	-60.13
O=C(CN1C=CN=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573176	1	29	-1.0	-62.03	270.05	1.83	-60.20
CC1=CC=CN=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573177	0	32	-1.0	-46.26	285.09	3.96	-42.30
CC1=CC=CN=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573177	1	32	-1.0	-46.29	285.02	3.97	-42.32
CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004573178	0	36	-1.0	-47.14	300.15	4.97	-42.17
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004573178	1	36	-1.0	-47.11	300.22	4.96	-42.15
CSC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573179	0	28	-1.0	-45.05	271.55	3.63	-41.42
CSC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573179	1	28	-1.0	-45.01	271.61	3.62	-41.39
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004573180	0	33	-1.0	-46.46	280.09	4.52	-41.94
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004573180	1	33	-1.0	-46.37	280.15	4.51	-41.86
C=CCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573181	0	33	-1.0	-46.74	292.58	4.81	-41.93
C=CCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573181	1	33	-1.0	-46.69	292.65	4.81	-41.88
CC=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573182	0	30	-1.0	-46.79	265.01	3.99	-42.80
CC=C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573182	1	30	-1.0	-46.74	265.07	3.98	-42.76
CC(C)=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573183	0	33	-1.0	-45.87	280.46	4.71	-41.16
CC(C)=C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573183	1	33	-1.0	-45.83	280.53	4.70	-41.13
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC(F)(F)C1	REAL250004573184	0	30	-1.0	-45.16	275.93	4.16	-41.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC(F)(F)C1	REAL250004573184	1	30	-1.0	-45.12	275.99	4.15	-40.97
CCCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004573185	0	36	-1.0	-46.93	309.73	5.49	-41.44
CCCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004573185	1	36	-1.0	-46.95	309.78	5.47	-41.48
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CCCC1	REAL250004573186	0	31	-1.0	-46.38	272.62	4.58	-41.80
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CN1C=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004573187	0	31	-1.0	-49.36	281.37	4.61	-44.75
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COC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004573231	0	34	-1.0	-43.42	290.32	2.77	-40.65
COC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004573231	1	34	-1.0	-43.39	290.39	2.76	-40.63
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COC(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573232	1	36	-1.0	-46.37	311.55	3.31	-43.06
CCC(C)C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573233	0	38	-1.0	-45.87	308.33	5.20	-40.67
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CC1(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004573235	0	33	-1.0	-46.44	286.82	4.72	-41.72
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CCOC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573325	1	36	-1.0	-50.48	302.36	4.06	-46.42
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CO[C@H](C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573408	1	30	-1.0	-49.74	269.05	2.68	-47.06
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004573409	0	34	-1.0	-46.48	288.93	5.22	-41.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004573409	1	34	-1.0	-46.49	289.00	5.22	-41.27
CC1=CC=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004573410	0	32	-1.0	-47.05	290.03	3.95	-43.10
CC1=CC=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004573410	1	32	-1.0	-47.05	290.09	3.95	-43.10
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1CC1(F)F	REAL250004573411	0	27	-1.0	-45.60	259.46	3.64	-41.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1CC1(F)F	REAL250004573411	1	27	-1.0	-45.54	259.52	3.63	-41.91
C[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@@H]12	REAL250004573412	0	34	-1.0	-47.00	296.71	5.34	-41.66
C[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@@H]12	REAL250004573412	1	34	-1.0	-46.91	296.77	5.33	-41.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCC(=O)O1	REAL250004573413	0	30	-1.0	-58.29	275.31	3.94	-54.35
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC(=O)O1	REAL250004573413	1	30	-1.0	-58.31	275.37	3.94	-54.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)C1CCC1	REAL250004573414	0	33	-1.0	-46.90	287.98	4.75	-42.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)C1CCC1	REAL250004573414	1	33	-1.0	-46.90	288.04	4.75	-42.15
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC(C1)OC2	REAL250004573415	0	32	-1.0	-45.03	280.22	2.49	-42.54
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC(C1)OC2	REAL250004573415	1	32	-1.0	-45.49	281.11	2.47	-43.02
C[C@H]1C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[C@H]1C	REAL250004573416	0	33	-1.0	-45.29	276.54	4.64	-40.65
C[C@H]1C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@H]1C	REAL250004573416	1	33	-1.0	-45.25	276.60	4.63	-40.62
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573417	0	34	-1.0	-49.31	285.71	2.85	-46.46
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573417	1	34	-1.0	-50.47	286.79	2.85	-47.62
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2CCCC12	REAL250004573418	0	35	-1.0	-46.56	301.12	5.82	-40.74
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2CCCC12	REAL250004573418	1	35	-1.0	-46.50	301.18	5.81	-40.69
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC1(F)F	REAL250004573419	0	27	-1.0	-49.94	257.95	3.68	-46.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC1(F)F	REAL250004573419	1	27	-1.0	-49.87	258.00	3.67	-46.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@@H]1C(F)F	REAL250004573420	0	30	-1.0	-48.03	274.28	4.45	-43.58
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@@H]1C(F)F	REAL250004573420	1	30	-1.0	-48.01	274.35	4.45	-43.56
CC(C)(F)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573421	0	35	-1.0	-45.97	302.28	4.80	-41.17
CC(C)(F)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573421	1	35	-1.0	-45.99	302.34	4.79	-41.20
O=C(CN1C=NC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573422	0	29	-1.0	-58.09	271.03	4.54	-53.55
O=C(CN1C=NC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573422	1	29	-1.0	-58.11	270.96	4.55	-53.56
C#CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573423	0	29	-1.0	-53.06	277.14	3.47	-49.59
C#CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573423	1	29	-1.0	-53.01	277.20	3.46	-49.55
C#C[C@H]1C[C@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573424	0	29	-1.0	-49.86	270.16	4.65	-45.21
C#C[C@H]1C[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573424	1	29	-1.0	-49.83	270.22	4.64	-45.19
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CN=N1	REAL250004573425	0	31	-1.0	-44.62	283.14	2.78	-41.84
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CN=N1	REAL250004573425	1	31	-1.0	-44.62	283.20	2.77	-41.85
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1CC(=O)N1	REAL250004573426	0	28	-1.0	-52.90	261.72	-0.60	-53.50
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1CC(=O)N1	REAL250004573426	1	28	-1.0	-52.76	261.79	-0.60	-53.36
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1C2C3CC1CC32	REAL250004573427	0	35	-1.0	-47.52	293.53	5.63	-41.89
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C2C3CC1CC32	REAL250004573427	1	35	-1.0	-47.52	293.59	5.62	-41.90
O=C(C=CC1CCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573428	0	34	-1.0	-46.16	297.90	5.41	-40.75
O=C(C=CC1CCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573428	1	34	-1.0	-46.12	297.96	5.40	-40.72
CC1=NC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL250004573429	0	29	-1.0	-45.24	272.32	0.47	-44.77
CC1=NC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL250004573429	1	29	-1.0	-45.21	272.39	0.46	-44.75
CN(C(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=N[N-]N=N1	REAL250004573430	0	36	-1.0	-52.66	303.33	8.23	-44.43
CN(C(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NN=N[N-]1	REAL250004573430	1	36	-1.0	-52.81	303.19	8.27	-44.54
CC(=O)C1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573431	0	32	-1.0	-60.37	279.28	6.24	-54.13
CC(=O)C1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573431	1	32	-1.0	-60.49	279.14	6.27	-54.22
CC(C)C1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573432	0	36	-1.0	-51.09	297.39	7.82	-43.27
CC(C)C1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573432	1	36	-1.0	-51.13	297.26	7.85	-43.28
CN(C(=O)COC1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004573433	0	32	-1.0	-60.34	279.50	6.32	-54.02
CN(C(=O)COC1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004573433	1	32	-1.0	-60.25	279.63	6.29	-53.96
CN(C(=O)C=CC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004573434	0	29	-1.0	-47.47	273.85	6.20	-41.27
CN(C(=O)C=CC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004573434	1	29	-1.0	-47.53	273.70	6.21	-41.32
CN(C(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573435	0	32	-1.0	-49.43	282.56	7.12	-42.31
CN(C(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573435	1	32	-1.0	-49.42	282.70	7.10	-42.32
CC1=CC=CC(C)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573436	0	33	-1.0	-49.67	280.54	7.32	-42.35
CC1=CC=CC(C)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573436	1	33	-1.0	-49.68	280.40	7.34	-42.34
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC(F)F	REAL250004573437	0	31	-1.0	-54.15	269.61	5.39	-48.76
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC(F)F	REAL250004573437	1	31	-1.0	-54.21	269.50	5.40	-48.81
CN(C(=O)CCNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL250004573438	0	30	-1.0	-55.53	270.57	2.43	-53.10
CN(C(=O)CCNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL250004573438	1	30	-1.0	-55.63	270.44	2.46	-53.17
CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL250004573439	0	35	-1.0	-53.70	295.99	3.00	-50.70
CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL250004573439	1	35	-1.0	-53.79	295.85	3.03	-50.76
CN(C(=O)C1CSC2(C)CCC(=O)N12)C1=N[N-]N=N1	REAL250004573440	0	32	-1.0	-55.77	274.68	4.59	-51.18
CN(C(=O)C1CSC2(C)CCC(=O)N12)C1=NN=N[N-]1	REAL250004573440	1	32	-1.0	-55.83	274.54	4.61	-51.22
CN(C(=O)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573441	0	27	-1.0	-47.09	254.79	6.54	-40.55
CN(C(=O)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573441	1	27	-1.0	-47.17	254.65	6.56	-40.61
CN(C(=O)C1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004573442	0	29	-1.0	-54.73	258.43	3.57	-51.16
CN(C(=O)C1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004573442	1	29	-1.0	-54.64	258.57	3.57	-51.07
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004573443	0	31	-1.0	-47.72	271.54	4.40	-43.32
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004573443	1	31	-1.0	-47.75	271.40	4.41	-43.34
CN(C(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004573444	0	34	-1.0	-54.50	295.76	4.79	-49.71
CN(C(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004573444	1	34	-1.0	-54.63	295.62	4.82	-49.81
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573445	0	33	-1.0	-51.36	283.62	8.47	-42.89
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573445	1	33	-1.0	-51.25	283.77	8.46	-42.79
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004573446	0	40	-1.0	-58.40	316.31	5.47	-52.93
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004573446	1	40	-1.0	-58.51	316.18	5.50	-53.01
CN(C(=O)CCCC1CCCCC1)C1=N[N-]N=N1	REAL250004573447	0	38	-1.0	-47.22	293.54	7.72	-39.50
CN(C(=O)CCCC1CCCCC1)C1=NN=N[N-]1	REAL250004573447	1	38	-1.0	-47.34	293.40	7.75	-39.59
CCC(OC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573448	0	33	-1.0	-33.38	265.36	6.68	-26.70
CCC(OC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573448	1	33	-1.0	-33.40	265.20	6.69	-26.71
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004573449	0	28	-1.0	-60.29	252.64	6.66	-53.63
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004573449	1	28	-1.0	-60.15	252.77	6.66	-53.49
CN(C(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL250004573450	0	34	-1.0	-52.20	280.95	6.07	-46.13
CN(C(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL250004573450	1	34	-1.0	-52.15	281.12	6.05	-46.10
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004573451	0	35	-1.0	-48.63	285.08	7.76	-40.87
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004573451	1	35	-1.0	-48.54	285.22	7.73	-40.81
CN(C(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004573452	0	31	-1.0	-57.66	275.37	6.46	-51.20
CN(C(=O)CN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004573452	1	31	-1.0	-57.60	275.51	6.44	-51.16
CN(C(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004573453	0	31	-1.0	-50.00	278.09	6.06	-43.94
CN(C(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004573453	1	31	-1.0	-50.12	277.94	6.07	-44.05
CC1=CC(C)=C(OCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004573454	0	36	-1.0	-49.47	301.99	7.98	-41.49
CC1=CC(C)=C(OCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004573454	1	36	-1.0	-49.54	301.86	8.00	-41.54
CC(=O)NCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004573455	0	35	-1.0	-52.59	295.16	3.66	-48.93
CC(=O)NCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004573455	1	35	-1.0	-52.70	295.03	3.69	-49.01
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1C(C)C	REAL250004573456	0	39	-1.0	-50.67	316.41	8.31	-42.36
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1C(C)C	REAL250004573456	1	39	-1.0	-50.72	316.27	8.33	-42.39
CN(C(=O)COC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573457	0	33	-1.0	-53.22	283.82	8.16	-45.06
CN(C(=O)COC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573457	1	33	-1.0	-53.31	283.68	8.18	-45.13
CC1=CC=C(Cl)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573458	0	30	-1.0	-52.81	276.22	7.05	-45.76
CC1=CC=C(Cl)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573458	1	30	-1.0	-52.92	276.08	7.08	-45.84
CN(C(=O)COC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004573459	0	34	-1.0	-51.52	284.31	7.76	-43.76
CN(C(=O)COC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004573459	1	34	-1.0	-51.56	284.18	7.78	-43.78
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004573460	0	32	-1.0	-45.85	285.51	6.96	-38.89
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004573460	1	32	-1.0	-45.79	285.66	6.95	-38.84
CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004573461	0	33	-1.0	-48.81	287.30	7.37	-41.44
CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004573461	1	33	-1.0	-48.89	287.17	7.40	-41.49
COC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573462	0	27	-1.0	-50.11	250.01	5.31	-44.80
COC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573462	1	27	-1.0	-50.00	250.15	5.30	-44.70
CN(C(=O)C1=CC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL250004573463	0	30	-1.0	-46.64	255.76	6.47	-40.17
CN(C(=O)C1=CC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL250004573463	1	30	-1.0	-46.54	255.91	6.45	-40.09
CN(C(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004573464	0	29	-1.0	-48.39	263.01	3.93	-44.46
CN(C(=O)C1=CC=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004573464	1	29	-1.0	-48.32	263.15	3.92	-44.40
CCCOC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573465	0	37	-1.0	-50.85	311.63	6.86	-43.99
CCCOC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573465	1	37	-1.0	-50.96	311.49	6.88	-44.08
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004573466	0	29	-1.0	-45.81	251.14	6.51	-39.30
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004573466	1	29	-1.0	-45.71	251.28	6.50	-39.21
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573467	0	29	-1.0	-47.36	256.39	5.56	-41.80
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573467	1	29	-1.0	-47.28	256.53	5.56	-41.72
CCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573468	0	33	-1.0	-49.03	281.22	6.20	-42.83
CCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573468	1	33	-1.0	-49.08	281.08	6.22	-42.86
CCOC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573469	0	34	-1.0	-51.22	290.13	6.06	-45.16
CCOC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573469	1	34	-1.0	-51.31	290.00	6.08	-45.23
CN(C(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=NN=N[N-]1	REAL250004573470	0	30	-1.0	-48.35	265.74	7.46	-40.89
CN(C(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=N[N-]N=N1	REAL250004573470	1	30	-1.0	-48.27	265.88	7.44	-40.83
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004573471	0	33	-1.0	-47.68	285.10	5.56	-42.12
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004573471	1	33	-1.0	-47.64	285.24	5.54	-42.10
CN(C(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=N[N-]N=N1	REAL250004573472	0	34	-1.0	-48.62	291.38	4.81	-43.81
CN(C(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NN=N[N-]1	REAL250004573472	1	34	-1.0	-48.73	291.24	4.84	-43.89
CN(C(=O)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004573473	0	27	-1.0	-51.37	238.60	5.60	-45.77
CN(C(=O)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004573473	1	27	-1.0	-51.29	238.74	5.60	-45.69
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573474	0	37	-1.0	-52.89	301.78	7.22	-45.67
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573474	1	37	-1.0	-52.98	301.64	7.25	-45.73
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1C	REAL250004573475	0	35	-1.0	-52.33	296.10	7.54	-44.79
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1C	REAL250004573475	1	35	-1.0	-52.43	295.97	7.57	-44.86
CN(C(=O)C1=CC2=C(CCCCCC2)S1)C1=N[N-]N=N1	REAL250004573476	0	36	-1.0	-46.48	281.62	7.34	-39.14
CN(C(=O)C1=CC2=C(CCCCCC2)S1)C1=NN=N[N-]1	REAL250004573476	1	36	-1.0	-46.57	281.47	7.36	-39.21
CN(C(=O)C=CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004573477	0	33	-1.0	-50.86	283.40	5.63	-45.23
CN(C(=O)C=CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004573477	1	33	-1.0	-50.93	283.25	5.64	-45.29
CCCC1=C(CC)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004573478	0	35	-1.0	-46.15	295.19	7.45	-38.70
CCCC1=C(CC)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004573478	1	35	-1.0	-46.09	295.34	7.43	-38.66
CSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004573479	0	29	-1.0	-51.94	265.69	6.44	-45.50
CSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004573479	1	29	-1.0	-51.91	265.84	6.43	-45.48
CC1=NOC(C)=C1CSCC(=O)N(C)C1=N[N-]N=N1	REAL250004573480	0	32	-1.0	-52.56	291.42	6.14	-46.42
CC1=NOC(C)=C1CSCC(=O)N(C)C1=NN=N[N-]1	REAL250004573480	1	32	-1.0	-52.62	291.29	6.16	-46.46
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL250004573481	0	31	-1.0	-43.28	281.79	4.78	-38.50
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL250004573481	1	31	-1.0	-43.37	281.65	4.79	-38.58
CN(C(=O)CSCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573482	0	30	-1.0	-50.02	280.70	7.44	-42.58
CN(C(=O)CSCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573482	1	30	-1.0	-50.16	280.57	7.46	-42.70
CC1=CC=CC(CSCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573483	0	33	-1.0	-49.86	295.70	8.04	-41.82
CC1=CC=CC(CSCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573483	1	33	-1.0	-49.94	295.56	8.06	-41.88
CN(C(=O)CCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004573484	0	29	-1.0	-49.13	262.99	6.66	-42.47
CN(C(=O)CCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004573484	1	29	-1.0	-49.25	262.85	6.68	-42.57
CN(C(=O)CN1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004573485	0	26	-1.0	-57.23	251.08	4.32	-52.91
CN(C(=O)CN1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004573485	1	26	-1.0	-57.11	251.21	4.30	-52.81
CC1=CC=C(C)N1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573486	0	37	-1.0	-45.62	310.07	8.96	-36.66
CC1=CC=C(C)N1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573486	1	37	-1.0	-45.55	310.21	8.96	-36.59
CN(C(=O)CCSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573487	0	30	-1.0	-45.72	276.46	7.30	-38.42
CN(C(=O)CCSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573487	1	30	-1.0	-45.85	276.32	7.33	-38.52
CCC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004573488	0	29	-1.0	-46.36	253.71	5.96	-40.40
CCC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004573488	1	29	-1.0	-46.32	253.86	5.95	-40.37
CN(C(=O)CSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004573489	0	27	-1.0	-50.22	263.40	6.92	-43.30
CN(C(=O)CSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004573489	1	27	-1.0	-50.29	263.26	6.95	-43.34
CC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573490	0	30	-1.0	-47.99	269.79	7.15	-40.84
CC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573490	1	30	-1.0	-48.02	269.65	7.17	-40.85
CC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004573491	0	33	-1.0	-47.77	288.29	7.71	-40.06
CC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004573491	1	33	-1.0	-47.86	288.15	7.73	-40.13
CN(C(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004573492	0	30	-1.0	-47.84	271.23	7.39	-40.45
CN(C(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004573492	1	30	-1.0	-47.93	271.10	7.41	-40.52
CN(C(=O)C1(C2=CC=CC=C2)CCCC1)C1=NN=N[N-]1	REAL250004573493	0	36	-1.0	-50.85	275.09	7.92	-42.93
CN(C(=O)C1(C2=CC=CC=C2)CCCC1)C1=N[N-]N=N1	REAL250004573493	1	36	-1.0	-50.77	275.22	7.91	-42.86
CN(C(=O)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004573494	0	26	-1.0	-48.03	243.71	6.38	-41.65
CN(C(=O)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004573494	1	26	-1.0	-48.05	243.58	6.41	-41.64
CCC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573495	0	33	-1.0	-50.96	281.68	7.29	-43.67
CCC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573495	1	33	-1.0	-51.05	281.54	7.32	-43.73
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004573496	0	34	-1.0	-48.72	285.82	6.59	-42.13
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004573496	1	34	-1.0	-48.64	285.96	6.57	-42.07
CCCCC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004573497	0	41	-1.0	-32.26	308.42	8.39	-23.87
CCCCC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004573497	1	41	-1.0	-32.29	308.31	8.42	-23.87
CN(C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL250004573498	0	38	-1.0	-32.52	264.70	3.33	-29.19
CN(C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL250004573498	1	38	-1.0	-32.52	264.57	3.35	-29.17
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004573499	0	28	-1.0	-51.28	246.93	6.11	-45.17
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004573499	1	28	-1.0	-51.23	247.08	6.11	-45.12
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1C	REAL250004573500	0	34	-1.0	-45.67	280.64	4.35	-41.32
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1C	REAL250004573500	1	34	-1.0	-45.63	280.78	4.35	-41.28
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573501	0	33	-1.0	-47.25	280.76	6.08	-41.17
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573501	1	33	-1.0	-47.33	280.63	6.11	-41.22
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004573502	0	37	-1.0	-48.91	310.01	5.97	-42.94
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004573502	1	37	-1.0	-49.00	309.87	6.00	-43.00
CC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573503	0	33	-1.0	-50.08	274.85	6.94	-43.14
CC1=CC=C(OC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573503	1	33	-1.0	-50.14	274.71	6.95	-43.19
CC1=CC=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573504	0	33	-1.0	-33.77	271.93	7.19	-26.58
CC1=CC=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573504	1	33	-1.0	-33.82	271.81	7.21	-26.61
CN(C(=O)CC1=NNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573505	0	31	-1.0	-60.74	271.24	4.04	-56.70
CN(C(=O)CC1=NNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573505	1	31	-1.0	-60.65	271.37	4.02	-56.63
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004573506	0	32	-1.0	-51.78	279.03	7.04	-44.74
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004573506	1	32	-1.0	-51.69	279.16	7.00	-44.69
CCC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004573507	0	35	-1.0	-51.54	300.65	7.77	-43.77
CCC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004573507	1	35	-1.0	-51.61	300.51	7.80	-43.81
CC(=O)NC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573508	0	34	-1.0	-55.47	294.91	5.38	-50.09
CC(=O)NC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573508	1	34	-1.0	-55.58	294.76	5.38	-50.20
COC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL250004573509	0	33	-1.0	-45.38	280.69	5.79	-39.59
COC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL250004573509	1	33	-1.0	-45.31	280.83	5.77	-39.54
CN(C(=O)C1CC2CCCC(C1)C2=O)C1=N[N-]N=N1	REAL250004573510	0	35	-1.0	-31.00	262.14	6.11	-24.89
CN(C(=O)C1CC2CCCC(C1)C2=O)C1=NN=N[N-]1	REAL250004573510	1	35	-1.0	-31.08	262.00	6.11	-24.97
CCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004573511	0	34	-1.0	-44.06	287.99	5.96	-38.10
CCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004573511	1	34	-1.0	-43.95	288.13	5.95	-38.00
CN(C(=O)CSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573512	0	27	-1.0	-46.68	265.11	6.99	-39.69
CN(C(=O)CSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573512	1	27	-1.0	-46.73	264.98	7.01	-39.72
CCC1(CC)NC(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004573513	0	37	-1.0	-54.91	306.91	3.79	-51.12
CCC1(CC)NC(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004573513	1	37	-1.0	-54.94	306.78	3.82	-51.12
CC1=C(C)C=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004573514	0	35	-1.0	-52.17	296.77	7.55	-44.62
CC1=C(C)C=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004573514	1	35	-1.0	-52.26	296.63	7.58	-44.68
CN(C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL250004573515	0	43	-1.0	-31.77	294.70	7.55	-24.22
CN(C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL250004573515	1	43	-1.0	-31.83	294.61	7.58	-24.25
CN(C(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004573516	0	29	-1.0	-51.57	266.98	6.52	-45.05
CN(C(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004573516	1	29	-1.0	-51.65	266.85	6.55	-45.10
CCC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004573517	0	38	-1.0	-47.64	292.69	7.77	-39.87
CCC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004573517	1	38	-1.0	-47.72	292.56	7.77	-39.95
CN(C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004573518	0	25	-1.0	-55.29	240.09	4.09	-51.20
CN(C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004573518	1	25	-1.0	-55.20	240.23	4.06	-51.14
COC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573519	0	31	-1.0	-52.60	268.66	3.13	-49.47
COC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573519	1	31	-1.0	-52.55	268.81	3.12	-49.43
CN(C(=O)C1=CC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004573520	0	27	-1.0	-48.46	239.20	3.35	-45.11
CN(C(=O)C1=CC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004573520	1	27	-1.0	-48.41	239.33	3.36	-45.05
CN(C(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004573521	0	30	-1.0	-47.16	277.61	7.47	-39.69
CN(C(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004573521	1	30	-1.0	-47.30	277.46	7.47	-39.83
CN(C(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NN=N[N-]1	REAL250004573522	0	36	-1.0	-49.10	288.41	5.81	-43.29
CN(C(=O)C1CCCN(C2=NC=CC=N2)C1)C1=N[N-]N=N1	REAL250004573522	1	36	-1.0	-49.00	288.55	5.77	-43.23
CN(C(=O)C1=CC=CC=C1N1C=NN=N1)C1=NN=N[N-]1	REAL250004573523	0	28	-1.0	-66.43	249.49	5.36	-61.07
CN(C(=O)C1=CC=CC=C1N1C=NN=N1)C1=N[N-]N=N1	REAL250004573523	1	28	-1.0	-66.32	249.63	5.35	-60.97
CN(C(=O)CN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573524	0	29	-1.0	-56.25	263.19	5.84	-50.41
CN(C(=O)CN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573524	1	29	-1.0	-56.13	263.33	5.81	-50.32
CN(C(=O)C1=CC=CC=C1SC(F)F)C1=NN=N[N-]1	REAL250004573525	0	27	-1.0	-49.43	246.98	6.14	-43.29
CN(C(=O)C1=CC=CC=C1SC(F)F)C1=N[N-]N=N1	REAL250004573525	1	27	-1.0	-49.34	247.13	6.13	-43.21
CN(C(=O)C1=CC(Cl)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573526	0	28	-1.0	-44.33	259.29	5.75	-38.58
CN(C(=O)C1=CC(Cl)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573526	1	28	-1.0	-44.25	259.43	5.72	-38.53
CC1CCC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)S2)C1	REAL250004573527	0	33	-1.0	-46.46	276.56	7.07	-39.39
CC1CCC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)S2)C1	REAL250004573527	1	33	-1.0	-46.40	276.71	7.05	-39.35
CCC1(C)NC(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004573528	0	34	-1.0	-54.62	288.34	2.61	-52.01
CCC1(C)NC(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004573528	1	34	-1.0	-54.69	288.21	2.64	-52.05
CC(SC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573529	0	30	-1.0	-47.67	269.55	7.07	-40.60
CC(SC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573529	1	30	-1.0	-47.69	269.41	7.09	-40.60
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004573530	0	34	-1.0	-48.53	283.50	5.05	-43.48
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004573530	1	34	-1.0	-48.49	283.64	5.04	-43.45
CC(C)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573531	0	36	-1.0	-47.76	299.07	8.38	-39.38
CC(C)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573531	1	36	-1.0	-47.80	298.92	8.40	-39.40
CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004573532	0	33	-1.0	-50.52	280.26	7.23	-43.29
CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004573532	1	33	-1.0	-50.61	280.12	7.26	-43.35
CCCC1=C(C)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573533	0	32	-1.0	-46.74	274.52	6.69	-40.05
CCCC1=C(C)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573533	1	32	-1.0	-46.63	274.67	6.67	-39.96
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573534	0	33	-1.0	-48.16	286.37	5.61	-42.55
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573534	1	33	-1.0	-48.10	286.50	5.61	-42.49
CCC1=C(C)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573535	0	29	-1.0	-46.74	252.81	5.91	-40.83
CCC1=C(C)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573535	1	29	-1.0	-46.64	252.95	5.89	-40.75
CN(C(=O)CSCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573536	0	30	-1.0	-49.95	291.02	7.88	-42.07
CN(C(=O)CSCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573536	1	30	-1.0	-50.03	290.88	7.90	-42.13
CN(C(=O)CSCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573537	0	30	-1.0	-49.55	291.02	7.89	-41.66
CN(C(=O)CSCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573537	1	30	-1.0	-49.67	290.89	7.92	-41.75
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573538	0	32	-1.0	-52.78	283.00	3.11	-49.67
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573538	1	32	-1.0	-52.69	283.14	3.11	-49.58
CSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004573539	0	27	-1.0	-46.41	253.24	5.43	-40.98
CSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004573539	1	27	-1.0	-46.46	253.09	5.46	-41.00
CN(C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004573540	0	34	-1.0	-47.08	298.39	6.82	-40.26
CN(C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004573540	1	34	-1.0	-47.15	298.24	6.85	-40.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004573541	0	32	-1.0	-45.66	280.33	5.56	-40.10
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004573541	1	32	-1.0	-45.63	280.47	5.53	-40.10
CN(C(=O)C=CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL250004573542	0	32	-1.0	-54.88	289.55	6.49	-48.39
CN(C(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL250004573542	1	32	-1.0	-55.02	289.41	6.49	-48.53
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004573543	0	29	-1.0	-53.08	262.42	2.44	-50.64
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004573543	1	29	-1.0	-53.15	262.28	2.44	-50.71
CSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573544	0	30	-1.0	-48.83	267.74	6.79	-42.04
CSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573544	1	30	-1.0	-48.79	267.89	6.79	-42.00
CN(C(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004573545	0	32	-1.0	-60.89	287.26	3.12	-57.77
CN(C(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004573545	1	32	-1.0	-60.94	287.11	3.11	-57.83
CN(C(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL250004573546	0	28	-1.0	-61.50	251.25	5.07	-56.43
CN(C(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL250004573546	1	28	-1.0	-61.43	251.39	5.09	-56.34
CN(C(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573547	0	31	-1.0	-53.67	272.13	4.70	-48.97
CN(C(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573547	1	31	-1.0	-53.61	272.27	4.67	-48.94
CN(C(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL250004573548	0	28	-1.0	-57.93	265.92	5.55	-52.38
CN(C(=O)CN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL250004573548	1	28	-1.0	-57.85	266.06	5.52	-52.33
CN(C(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL250004573549	0	34	-1.0	-51.88	288.69	5.39	-46.49
CN(C(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL250004573549	1	34	-1.0	-51.83	288.84	5.39	-46.44
CN(C(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL250004573550	0	30	-1.0	-45.00	268.35	4.18	-40.82
CN(C(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL250004573550	1	30	-1.0	-44.95	268.48	4.17	-40.78
CC(OC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573551	0	31	-1.0	-50.72	274.22	6.66	-44.06
CC(OC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573551	1	31	-1.0	-50.81	274.08	6.66	-44.15
CC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004573552	0	30	-1.0	-48.32	274.34	7.56	-40.76
CC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004573552	1	30	-1.0	-48.35	274.20	7.59	-40.76
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573553	0	32	-1.0	-44.56	279.48	5.83	-38.73
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573553	1	32	-1.0	-44.54	279.62	5.81	-38.73
CC(OC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573554	0	30	-1.0	-48.75	259.85	6.31	-42.44
CC(OC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573554	1	30	-1.0	-48.82	259.71	6.34	-42.48
CCOC1=CC=CC=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004573555	0	34	-1.0	-52.38	289.13	6.76	-45.62
CCOC1=CC=CC=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004573555	1	34	-1.0	-52.50	288.99	6.77	-45.73
CN(C(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004573556	0	27	-1.0	-46.67	261.49	7.03	-39.64
CN(C(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004573556	1	27	-1.0	-46.81	261.35	7.05	-39.76
CC(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573557	0	30	-1.0	-33.43	267.25	7.03	-26.40
CC(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573557	1	30	-1.0	-33.46	267.14	7.05	-26.41
CN(C(=O)C1=CC2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL250004573558	0	26	-1.0	-48.48	245.44	6.30	-42.18
CN(C(=O)C1=CC2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL250004573558	1	26	-1.0	-48.41	245.58	6.28	-42.13
CN(C(=O)C=CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004573559	0	28	-1.0	-49.56	259.52	6.89	-42.67
CN(C(=O)C=CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004573559	1	28	-1.0	-49.44	259.67	6.87	-42.57
CN(C(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004573560	0	27	-1.0	-48.39	269.74	7.38	-41.01
CN(C(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004573560	1	27	-1.0	-48.40	269.59	7.38	-41.02
CN(C(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL250004573561	0	30	-1.0	-46.71	270.10	7.53	-39.18
CN(C(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL250004573561	1	30	-1.0	-46.65	270.24	7.51	-39.14
CC(C)SC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573562	0	33	-1.0	-53.13	280.24	7.32	-45.81
CC(C)SC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573562	1	33	-1.0	-53.02	280.37	7.31	-45.71
CCOC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004573563	0	37	-1.0	-51.99	295.81	4.84	-47.15
CCOC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004573563	1	37	-1.0	-52.03	295.68	4.86	-47.17
CC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004573564	0	33	-1.0	-54.54	260.43	4.01	-50.53
CC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004573564	1	33	-1.0	-54.62	260.29	4.04	-50.58
CN(C(=O)COC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573565	0	27	-1.0	-51.52	255.52	6.37	-45.15
CN(C(=O)COC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573565	1	27	-1.0	-51.61	255.38	6.39	-45.22
CN(C)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573566	0	35	-1.0	-49.84	289.75	6.86	-42.98
CN(C)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573566	1	35	-1.0	-49.96	289.61	6.86	-43.10
CN(C(=O)CN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573567	0	32	-1.0	-55.11	276.36	4.69	-50.42
CN(C(=O)CN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573567	1	32	-1.0	-55.16	276.23	4.72	-50.44
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573568	0	35	-1.0	-44.60	307.00	5.87	-38.73
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573568	1	35	-1.0	-44.66	306.86	5.90	-38.76
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL250004573569	0	34	-1.0	-43.43	291.43	6.24	-37.19
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL250004573569	1	34	-1.0	-43.51	291.29	6.26	-37.25
CC(C)CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573570	0	39	-1.0	-47.04	313.60	7.24	-39.80
CC(C)CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573570	1	39	-1.0	-47.10	313.46	7.25	-39.85
CC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573571	0	33	-1.0	-47.06	272.13	5.82	-41.24
CC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573571	1	33	-1.0	-47.01	272.27	5.82	-41.19
CC(C)COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573572	0	36	-1.0	-47.14	294.64	6.63	-40.51
CC(C)COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573572	1	36	-1.0	-47.26	294.50	6.63	-40.63
CN(C(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL250004573573	0	20	-1.0	-42.60	214.10	4.57	-38.03
CN(C(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL250004573573	1	20	-1.0	-42.72	213.96	4.56	-38.16
CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573574	0	33	-1.0	-47.20	274.39	5.94	-41.26
CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573574	1	33	-1.0	-47.11	274.54	5.94	-41.17
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004573575	0	25	-1.0	-42.31	236.67	4.06	-38.25
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004573575	1	25	-1.0	-42.23	236.81	4.06	-38.17
CN(C(=O)CCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004573576	0	35	-1.0	-56.04	289.39	3.35	-52.69
CN(C(=O)CCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004573576	1	35	-1.0	-56.13	289.26	3.38	-52.75
CN(C(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573577	0	33	-1.0	-30.47	259.72	5.88	-24.59
CN(C(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573577	1	33	-1.0	-30.48	259.58	5.90	-24.58
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004573578	0	36	-1.0	-48.18	311.51	8.66	-39.52
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004573578	1	36	-1.0	-48.31	311.38	8.68	-39.63
CC1=CC=CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004573579	0	29	-1.0	-51.62	253.16	6.89	-44.73
CC1=CC=CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CN21	REAL250004573579	1	29	-1.0	-51.57	253.30	6.87	-44.70
CN(C(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL250004573580	0	34	-1.0	-61.95	290.45	5.41	-56.54
CN(C(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL250004573580	1	34	-1.0	-61.90	290.59	5.41	-56.49
CN(C(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004573581	0	25	-1.0	-43.87	238.16	5.19	-38.68
CN(C(=O)C1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004573581	1	25	-1.0	-43.78	238.30	5.17	-38.61
CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=N[N-]N=N1	REAL250004573582	0	35	-1.0	-53.62	299.57	3.89	-49.73
CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NN=N[N-]1	REAL250004573582	1	35	-1.0	-53.70	299.44	3.91	-49.79
CN(C(=O)C1=CC(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004573583	0	23	-1.0	-43.09	229.42	5.18	-37.91
CN(C(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004573583	1	23	-1.0	-43.12	229.28	5.19	-37.93
CN(C(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004573584	0	25	-1.0	-47.97	243.74	5.97	-42.00
CN(C(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004573584	1	25	-1.0	-48.05	243.60	5.96	-42.09
CN(C(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004573585	0	27	-1.0	-40.93	257.62	6.22	-34.71
CN(C(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004573585	1	27	-1.0	-40.86	257.76	6.23	-34.63
CN(C(=O)CCNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004573586	0	30	-1.0	-55.67	278.49	3.42	-52.25
CN(C(=O)CCNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004573586	1	30	-1.0	-55.74	278.35	3.45	-52.29
CN(C(=O)CCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573587	0	36	-1.0	-51.01	307.85	5.21	-45.80
CN(C(=O)CCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573587	1	36	-1.0	-51.10	307.71	5.25	-45.85
COC1=CC=C(C(C)=O)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573588	0	35	-1.0	-54.88	298.45	5.72	-49.16
COC1=CC=C(C(C)=O)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573588	1	35	-1.0	-54.94	298.31	5.75	-49.19
CCC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573589	0	35	-1.0	-46.25	294.15	8.22	-38.03
CCC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573589	1	35	-1.0	-46.31	294.02	8.25	-38.06
CN(C(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=N[N-]N=N1	REAL250004573590	0	36	-1.0	-45.75	281.08	7.63	-38.12
CN(C(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=NN=N[N-]1	REAL250004573590	1	36	-1.0	-45.80	280.95	7.64	-38.16
CN(C(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004573591	0	27	-1.0	-43.99	247.67	4.70	-39.29
CN(C(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004573591	1	27	-1.0	-44.02	247.53	4.70	-39.32
COC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573592	0	33	-1.0	-52.79	276.04	7.50	-45.29
COC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573592	1	33	-1.0	-52.71	276.19	7.48	-45.23
CN(C(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573593	0	29	-1.0	-52.70	248.33	7.20	-45.50
CN(C(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573593	1	29	-1.0	-52.68	248.47	7.19	-45.49
CN(C(=O)C1=CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL250004573594	0	28	-1.0	-53.35	251.80	6.40	-46.95
CN(C(=O)C1=CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL250004573594	1	28	-1.0	-53.28	251.94	6.37	-46.91
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OCC	REAL250004573595	0	37	-1.0	-48.52	305.36	5.97	-42.55
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OCC	REAL250004573595	1	37	-1.0	-48.43	305.50	5.96	-42.47
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004573596	0	29	-1.0	-53.24	257.52	5.66	-47.58
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004573596	1	29	-1.0	-53.18	257.66	5.65	-47.53
CN(C(=O)CC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004573597	0	36	-1.0	-48.58	292.57	8.46	-40.12
CN(C(=O)CC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004573597	1	36	-1.0	-48.66	292.43	8.49	-40.17
CN(C(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004573598	0	33	-1.0	-50.34	269.93	6.50	-43.84
CN(C(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004573598	1	33	-1.0	-50.44	269.80	6.51	-43.93
CN(C(=O)C1CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004573599	0	30	-1.0	-53.66	259.09	6.76	-46.90
CN(C(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004573599	1	30	-1.0	-53.70	258.96	6.77	-46.93
CN(C(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573600	0	29	-1.0	-48.93	249.21	7.19	-41.74
CN(C(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573600	1	29	-1.0	-48.90	249.33	7.19	-41.71
CN(C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004573601	0	34	-1.0	-51.07	290.46	7.75	-43.32
CN(C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004573601	1	34	-1.0	-51.03	290.59	7.74	-43.29
CN(C(=O)C1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004573602	0	27	-1.0	-49.45	241.34	4.49	-44.96
CN(C(=O)C1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004573602	1	27	-1.0	-49.39	241.48	4.50	-44.89
CN(C(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004573603	0	36	-1.0	-49.73	304.08	9.38	-40.35
CN(C(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004573603	1	36	-1.0	-49.82	303.94	9.42	-40.40
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL250004573604	0	35	-1.0	-46.05	294.83	4.07	-41.98
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL250004573604	1	35	-1.0	-45.97	294.97	4.07	-41.90
CN(C(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL250004573605	0	20	-1.0	-41.83	208.30	4.12	-37.71
CN(C(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL250004573605	1	20	-1.0	-41.94	208.15	4.14	-37.80
CCCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573606	0	39	-1.0	-47.11	317.53	7.50	-39.61
CCCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573606	1	39	-1.0	-47.17	317.39	7.51	-39.66
CN(C(=O)C1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL250004573607	0	22	-1.0	-42.69	219.06	3.78	-38.91
CN(C(=O)C1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL250004573607	1	22	-1.0	-42.61	219.20	3.76	-38.85
CN(C(=O)CC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004573608	0	26	-1.0	-47.98	249.24	6.42	-41.56
CN(C(=O)CC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004573608	1	26	-1.0	-48.06	249.10	6.46	-41.60
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004573609	0	25	-1.0	-44.24	242.50	6.07	-38.17
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004573609	1	25	-1.0	-44.30	242.36	6.07	-38.23
CN(C(=O)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004573610	0	23	-1.0	-49.35	229.51	5.86	-43.49
CN(C(=O)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004573610	1	23	-1.0	-49.50	229.36	5.85	-43.65
CN(C(=O)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004573611	0	23	-1.0	-45.71	231.06	5.92	-39.79
CN(C(=O)C1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004573611	1	23	-1.0	-45.76	230.92	5.92	-39.84
CN(C(=O)C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004573612	0	23	-1.0	-50.07	240.58	5.98	-44.09
CN(C(=O)C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004573612	1	23	-1.0	-49.96	240.72	5.98	-43.98
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573613	0	23	-1.0	-42.63	236.90	5.94	-36.69
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573613	1	23	-1.0	-42.66	236.76	5.94	-36.72
CN(C(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL250004573614	0	26	-1.0	-47.33	261.79	6.93	-40.40
CN(C(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL250004573614	1	26	-1.0	-47.39	261.65	6.97	-40.42
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004573615	0	31	-1.0	-53.73	266.44	4.77	-48.96
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004573615	1	31	-1.0	-53.66	266.57	4.76	-48.90
COC1=CC=CC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573616	0	31	-1.0	-57.40	267.44	3.82	-53.58
COC1=CC=CC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573616	1	31	-1.0	-57.34	267.58	3.80	-53.54
COC1=CC(OC)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573617	0	31	-1.0	-48.99	262.27	3.54	-45.45
COC1=CC(OC)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573617	1	31	-1.0	-48.93	262.40	3.53	-45.40
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004573618	0	33	-1.0	-48.51	276.24	8.32	-40.19
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004573618	1	33	-1.0	-48.44	276.38	8.32	-40.12
CN(C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573619	0	36	-1.0	-49.45	297.88	8.98	-40.47
CN(C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573619	1	36	-1.0	-49.35	298.01	8.95	-40.40
CN(C(=O)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573620	0	26	-1.0	-47.03	246.59	6.49	-40.54
CN(C(=O)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573620	1	26	-1.0	-47.11	246.45	6.52	-40.59
CN(C(=O)COC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573621	0	27	-1.0	-49.39	255.51	6.37	-43.02
CN(C(=O)COC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573621	1	27	-1.0	-49.44	255.38	6.39	-43.05
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1OC	REAL250004573622	0	35	-1.0	-51.88	294.89	5.12	-46.76
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1OC	REAL250004573622	1	35	-1.0	-51.84	295.04	5.11	-46.73
CN(C(=O)C1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573623	0	28	-1.0	-49.21	245.55	6.35	-42.86
CN(C(=O)C1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573623	1	28	-1.0	-49.17	245.68	6.33	-42.84
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1Cl)C1=NN=N[N-]1	REAL250004573624	0	25	-1.0	-44.86	242.38	6.07	-38.79
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1Cl)C1=N[N-]N=N1	REAL250004573624	1	25	-1.0	-44.79	242.52	6.07	-38.72
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004573625	0	35	-1.0	-47.35	278.21	7.23	-40.12
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004573625	1	35	-1.0	-47.28	278.35	7.23	-40.05
CN(C(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004573626	0	23	-1.0	-51.91	231.08	5.61	-46.30
CN(C(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004573626	1	23	-1.0	-51.82	231.23	5.59	-46.23
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004573627	0	34	-1.0	-46.55	290.63	7.77	-38.78
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004573627	1	34	-1.0	-46.50	290.77	7.76	-38.74
CN(C(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004573628	0	26	-1.0	-52.82	237.98	5.88	-46.94
CN(C(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004573628	1	26	-1.0	-52.93	237.85	5.87	-47.06
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004573629	0	26	-1.0	-44.53	240.93	5.91	-38.62
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004573629	1	26	-1.0	-44.67	240.79	5.91	-38.76
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004573630	0	26	-1.0	-48.56	240.93	5.90	-42.66
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004573630	1	26	-1.0	-48.64	240.79	5.90	-42.74
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004573631	0	29	-1.0	-49.05	267.09	7.13	-41.92
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004573631	1	29	-1.0	-49.14	266.95	7.15	-41.99
CN(C(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004573632	0	29	-1.0	-48.66	276.58	7.14	-41.52
CN(C(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004573632	1	29	-1.0	-48.72	276.44	7.17	-41.55
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004573633	0	35	-1.0	-47.28	300.34	8.08	-39.20
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004573633	1	35	-1.0	-47.35	300.21	8.11	-39.24
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL250004573634	0	31	-1.0	-54.60	272.18	1.83	-52.77
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL250004573634	1	31	-1.0	-54.65	272.04	1.85	-52.80
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573635	0	36	-1.0	-45.24	294.85	3.70	-41.54
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573635	1	36	-1.0	-45.34	294.72	3.73	-41.61
CN(C(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004573636	0	22	-1.0	-40.24	231.55	4.04	-36.20
CN(C(=O)C1=CC(Cl)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004573636	1	22	-1.0	-40.18	231.69	4.03	-36.15
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004573637	0	28	-1.0	-43.34	247.76	6.13	-37.21
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004573637	1	28	-1.0	-43.31	247.90	6.13	-37.18
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573638	0	34	-1.0	-55.10	289.27	8.80	-46.30
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573638	1	34	-1.0	-55.03	289.39	8.79	-46.24
CN(C(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573639	0	33	-1.0	-30.29	270.05	6.34	-23.95
CN(C(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573639	1	33	-1.0	-30.27	269.90	6.35	-23.92
CN(C(=O)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004573640	0	26	-1.0	-46.54	260.83	6.90	-39.64
CN(C(=O)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004573640	1	26	-1.0	-46.63	260.69	6.93	-39.70
CN(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004573641	0	30	-1.0	-56.71	275.08	5.11	-51.60
CN(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004573641	1	30	-1.0	-56.79	274.94	5.14	-51.65
CN(C(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004573642	0	30	-1.0	-49.12	277.63	7.47	-41.65
CN(C(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004573642	1	30	-1.0	-49.21	277.49	7.48	-41.73
CN(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004573643	0	28	-1.0	-45.73	252.12	5.60	-40.13
CN(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004573643	1	28	-1.0	-45.71	252.25	5.58	-40.13
COC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573644	0	37	-1.0	-52.06	310.72	5.64	-46.42
COC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573644	1	37	-1.0	-52.12	310.59	5.68	-46.44
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573645	0	36	-1.0	-51.27	302.64	7.04	-44.23
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573645	1	36	-1.0	-51.31	302.50	7.07	-44.24
CC1=CC=CC(OCCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573646	0	36	-1.0	-51.46	302.64	7.05	-44.41
CC1=CC=CC(OCCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573646	1	36	-1.0	-51.56	302.50	7.07	-44.49
CC1CCC2=C(C1)SC=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004573647	0	33	-1.0	-48.20	275.18	7.20	-41.00
CC1CCC2=C(C1)SC=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004573647	1	33	-1.0	-48.09	275.49	7.19	-40.90
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004573648	0	36	-1.0	-50.13	301.28	7.09	-43.04
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004573648	1	36	-1.0	-50.09	301.42	7.10	-42.99
CN(C(=O)CCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573649	0	33	-1.0	-51.25	281.24	6.36	-44.89
CN(C(=O)CCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573649	1	33	-1.0	-51.30	281.10	6.40	-44.90
CN(C(=O)C1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL250004573650	0	25	-1.0	-47.32	234.10	4.33	-42.99
CN(C(=O)C1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL250004573650	1	25	-1.0	-47.30	234.24	4.31	-42.99
CC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004573651	0	32	-1.0	-50.74	272.40	5.15	-45.59
CC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004573651	1	32	-1.0	-50.63	272.55	5.15	-45.48
COC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573652	0	31	-1.0	-51.07	268.28	5.13	-45.94
COC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573652	1	31	-1.0	-51.14	268.14	5.16	-45.98
CCC1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004573653	0	37	-1.0	-47.72	307.09	7.14	-40.58
CCC1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004573653	1	37	-1.0	-47.61	307.23	7.15	-40.46
CN(C(=O)COC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004573654	0	27	-1.0	-53.48	254.81	6.39	-47.09
CN(C(=O)COC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004573654	1	27	-1.0	-53.53	254.68	6.41	-47.12
CN(C(=O)CC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573655	0	32	-1.0	-50.00	272.40	8.13	-41.87
CN(C(=O)CC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573655	1	32	-1.0	-49.88	272.54	8.09	-41.79
CN(C(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL250004573656	0	23	-1.0	-44.63	223.05	5.52	-39.11
CN(C(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL250004573656	1	23	-1.0	-44.72	222.92	5.52	-39.20
CN(C(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004573657	0	29	-1.0	-65.09	264.80	7.01	-58.08
CN(C(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004573657	1	29	-1.0	-65.19	264.67	7.03	-58.16
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL250004573658	0	23	-1.0	-42.34	234.12	5.88	-36.46
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL250004573658	1	23	-1.0	-42.41	233.97	5.87	-36.54
CN(C(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=N[N-]N=N1	REAL250004573659	0	36	-1.0	-47.86	281.10	7.63	-40.23
CN(C(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=NN=N[N-]1	REAL250004573659	1	36	-1.0	-47.92	280.96	7.66	-40.26
CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL250004573660	0	37	-1.0	-31.43	254.35	6.57	-24.86
CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL250004573660	1	37	-1.0	-31.40	254.27	6.60	-24.80
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573661	0	30	-1.0	-55.22	257.66	3.81	-51.41
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573661	1	30	-1.0	-55.17	257.80	3.82	-51.35
CN(C(=O)CCCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573662	0	36	-1.0	-52.92	304.67	7.61	-45.31
CN(C(=O)CCCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573662	1	36	-1.0	-52.98	304.53	7.65	-45.33
CN(C(=O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL250004573663	0	23	-1.0	-47.72	222.67	5.51	-42.21
CN(C(=O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL250004573663	1	23	-1.0	-47.78	222.52	5.50	-42.28
CN(C(=O)CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573664	0	30	-1.0	-52.20	261.64	6.06	-46.14
CN(C(=O)CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573664	1	30	-1.0	-52.12	261.77	6.02	-46.10
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL250004573665	0	40	-1.0	-47.71	284.80	7.88	-39.83
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL250004573665	1	40	-1.0	-47.77	284.67	7.90	-39.87
CN(C(=O)CCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573666	0	33	-1.0	-49.36	283.17	6.83	-42.53
CN(C(=O)CCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573666	1	33	-1.0	-49.46	283.04	6.86	-42.60
CN(C(=O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004573667	0	23	-1.0	-45.53	235.99	5.94	-39.59
CN(C(=O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004573667	1	23	-1.0	-45.59	235.85	5.94	-39.65
COC1=CC=C(OC)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573668	0	31	-1.0	-52.91	262.74	4.08	-48.83
COC1=CC=C(OC)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573668	1	31	-1.0	-52.83	262.88	4.07	-48.76
CCOC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004573669	0	37	-1.0	-41.20	295.92	5.19	-36.01
CCOC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004573669	1	37	-1.0	-41.22	296.07	5.23	-35.99
CC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004573670	0	36	-1.0	-46.96	308.45	8.45	-38.51
CC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004573670	1	36	-1.0	-47.04	308.31	8.47	-38.57
CC1=NOC(C)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573671	0	31	-1.0	-46.53	268.39	5.53	-41.00
CC1=NOC(C)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573671	1	31	-1.0	-46.63	268.25	5.57	-41.06
CC(C)COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573672	0	36	-1.0	-50.76	295.04	6.63	-44.13
CC(C)COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573672	1	36	-1.0	-50.70	295.18	6.62	-44.08
CC(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573673	0	35	-1.0	-47.76	282.75	7.58	-40.18
CC(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573673	1	35	-1.0	-47.65	282.88	7.59	-40.06
CN(C(=O)C1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004573674	0	39	-1.0	-47.09	304.03	8.71	-38.38
CN(C(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004573674	1	39	-1.0	-47.18	303.88	8.70	-38.48
CC(C)OCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573675	0	36	-1.0	-48.40	298.96	6.35	-42.05
CC(C)OCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573675	1	36	-1.0	-48.51	298.81	6.35	-42.16
CN(C(=O)CC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004573676	0	33	-1.0	-48.96	275.41	7.87	-41.09
CN(C(=O)CC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004573676	1	33	-1.0	-49.00	275.27	7.91	-41.09
CC(=O)NC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CS1	REAL250004573677	0	33	-1.0	-51.11	299.68	4.59	-46.52
CC(=O)NC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CS1	REAL250004573677	1	33	-1.0	-51.20	299.54	4.61	-46.59
CN(C(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004573678	0	29	-1.0	-49.70	247.48	4.09	-45.61
CN(C(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004573678	1	29	-1.0	-49.63	247.62	4.08	-45.55
CC1=CC=NC2=NC(C(=O)N(C)C3=NN=N[N-]3)=NN21	REAL250004573679	0	27	-1.0	-56.34	244.59	6.59	-49.75
CC1=CC=NC2=NC(C(=O)N(C)C3=N[N-]N=N3)=NN21	REAL250004573679	1	27	-1.0	-56.29	244.73	6.58	-49.71
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004573680	0	30	-1.0	-49.52	274.23	6.96	-42.56
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004573680	1	30	-1.0	-49.60	274.09	6.98	-42.62
CN(C(=O)COC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004573681	0	28	-1.0	-60.64	259.00	6.25	-54.39
CN(C(=O)COC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004573681	1	28	-1.0	-60.72	258.87	6.28	-54.44
CCC1=C(C(=O)OC)C(C)=C(C(=O)N(C)C2=NN=N[N-]2)N1	REAL250004573682	0	36	-1.0	-48.41	304.92	6.04	-42.37
CCC1=C(C(=O)OC)C(C)=C(C(=O)N(C)C2=N[N-]N=N2)N1	REAL250004573682	1	36	-1.0	-48.32	305.06	6.01	-42.31
COC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004573683	0	34	-1.0	-48.20	288.98	5.51	-42.69
COC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004573683	1	34	-1.0	-48.30	288.85	5.53	-42.77
CN(C(=O)C1CC(=O)N(C2CCCC2)C1)C1=N[N-]N=N1	REAL250004573684	0	37	-1.0	-54.89	289.28	5.49	-49.40
CN(C(=O)C1CC(=O)N(C2CCCC2)C1)C1=NN=N[N-]1	REAL250004573684	1	37	-1.0	-54.98	289.15	5.50	-49.48
CN(C(=O)COC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573685	0	33	-1.0	-53.24	284.80	8.13	-45.11
CN(C(=O)COC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573685	1	33	-1.0	-53.27	284.66	8.15	-45.12
CN(C(=O)CCSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573686	0	30	-1.0	-46.51	270.06	7.23	-39.28
CN(C(=O)CCSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573686	1	30	-1.0	-46.57	269.93	7.27	-39.30
CC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573687	0	33	-1.0	-46.60	291.46	7.91	-38.69
CC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573687	1	33	-1.0	-46.67	291.33	7.94	-38.73
CCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573688	0	36	-1.0	-47.18	296.04	6.72	-40.46
CCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573688	1	36	-1.0	-47.30	295.89	6.73	-40.57
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004573689	0	28	-1.0	-49.70	258.08	6.64	-43.06
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004573689	1	28	-1.0	-49.77	257.94	6.67	-43.10
CN(C(=O)CSCC1=CC=CS1)C1=N[N-]N=N1	REAL250004573690	0	27	-1.0	-49.66	264.52	6.46	-43.20
CN(C(=O)CSCC1=CC=CS1)C1=NN=N[N-]1	REAL250004573690	1	27	-1.0	-49.76	264.38	6.48	-43.28
CC1=CC=C(C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573691	0	36	-1.0	-46.80	301.21	7.02	-39.78
CC1=CC=C(C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573691	1	36	-1.0	-46.92	301.08	7.05	-39.87
CN(C(=O)C1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004573692	0	22	-1.0	-40.98	222.32	4.67	-36.31
CN(C(=O)C1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004573692	1	22	-1.0	-41.07	222.17	4.67	-36.40
CN(C(=O)C1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004573693	0	29	-1.0	-35.66	246.67	5.20	-30.46
CN(C(=O)C1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004573693	1	29	-1.0	-35.70	246.53	5.21	-30.49
CC1=CC(C)=NC2=NC(C(=O)N(C)C3=NN=N[N-]3)=NN21	REAL250004573694	0	30	-1.0	-55.28	265.99	7.19	-48.09
CC1=CC(C)=NC2=NC(C(=O)N(C)C3=N[N-]N=N3)=NN21	REAL250004573694	1	30	-1.0	-55.19	266.13	7.19	-48.00
CN(C(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573695	0	29	-1.0	-44.82	261.17	5.24	-39.58
CN(C(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573695	1	29	-1.0	-44.75	261.31	5.22	-39.53
CN(C(=O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004573696	0	41	-1.0	-32.18	295.16	7.58	-24.60
CN(C(=O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004573696	1	41	-1.0	-32.23	295.05	7.61	-24.62
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004573697	0	28	-1.0	-48.82	244.10	6.11	-42.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004573697	1	28	-1.0	-48.77	244.24	6.12	-42.65
CN(C(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573698	0	36	-1.0	-53.26	300.67	9.31	-43.95
CN(C(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573698	1	36	-1.0	-53.12	300.77	9.31	-43.81
CN(C(=O)C1=CC(F)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004573699	0	23	-1.0	-41.97	226.99	5.52	-36.45
CN(C(=O)C1=CC(F)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004573699	1	23	-1.0	-42.02	226.85	5.52	-36.50
COC1=CC(OC)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004573700	0	35	-1.0	-52.17	287.40	4.57	-47.60
COC1=CC(OC)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004573700	1	35	-1.0	-52.08	287.55	4.56	-47.52
CN(C(=O)CN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL250004573701	0	36	-1.0	-53.12	297.94	5.19	-47.93
CN(C(=O)CN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL250004573701	1	36	-1.0	-53.17	297.80	5.21	-47.96
CC1=CC(C)=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573702	0	33	-1.0	-50.85	281.60	7.18	-43.67
CC1=CC(C)=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573702	1	33	-1.0	-50.89	281.47	7.21	-43.68
COC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573703	0	31	-1.0	-55.51	268.03	5.61	-49.90
COC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573703	1	31	-1.0	-55.58	267.89	5.63	-49.95
CC1=CC=C(C)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573704	0	33	-1.0	-50.40	280.26	7.23	-43.17
CC1=CC=C(C)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573704	1	33	-1.0	-50.53	280.13	7.26	-43.27
CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004573705	0	33	-1.0	-51.13	277.18	7.06	-44.07
CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004573705	1	33	-1.0	-51.19	277.04	7.09	-44.10
CC1=CC=C(C(C)C)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573706	0	39	-1.0	-50.84	318.80	8.49	-42.35
CC1=CC=C(C(C)C)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573706	1	39	-1.0	-50.97	318.67	8.51	-42.46
CN(C(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573707	0	35	-1.0	-48.78	294.39	7.24	-41.54
CN(C(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573707	1	35	-1.0	-48.77	294.52	7.24	-41.53
CC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573708	0	33	-1.0	-46.44	281.14	6.27	-40.17
CC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573708	1	33	-1.0	-46.56	281.00	6.31	-40.25
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573709	0	33	-1.0	-46.47	281.14	6.27	-40.20
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573709	1	33	-1.0	-46.54	281.00	6.31	-40.23
CN(C(=O)CCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573710	0	30	-1.0	-45.41	286.78	7.75	-37.66
CN(C(=O)CCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573710	1	30	-1.0	-45.48	286.64	7.79	-37.69
CC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004573711	0	33	-1.0	-46.62	279.80	6.36	-40.26
CC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004573711	1	33	-1.0	-46.68	279.67	6.38	-40.30
CN(C(=O)COC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004573712	0	27	-1.0	-55.77	245.01	5.92	-49.85
CN(C(=O)COC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004573712	1	27	-1.0	-55.84	244.87	5.95	-49.89
CN(C(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004573713	0	29	-1.0	-53.03	267.11	7.14	-45.89
CN(C(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004573713	1	29	-1.0	-53.11	266.97	7.15	-45.96
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004573714	0	34	-1.0	-51.38	288.61	5.16	-46.22
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004573714	1	34	-1.0	-51.51	288.48	5.20	-46.31
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004573715	0	31	-1.0	-48.79	261.65	4.14	-44.65
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004573715	1	31	-1.0	-48.69	261.78	4.13	-44.56
CSC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573716	0	27	-1.0	-48.12	254.34	6.42	-41.70
CSC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573716	1	27	-1.0	-48.02	254.48	6.42	-41.60
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004573717	0	26	-1.0	-46.75	257.97	6.81	-39.94
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004573717	1	26	-1.0	-46.78	257.83	6.85	-39.93
CC1=CC(Cl)=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573718	0	30	-1.0	-49.21	275.58	7.08	-42.13
CC1=CC(Cl)=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573718	1	30	-1.0	-49.27	275.45	7.10	-42.17
CN(C(=O)C=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573719	0	27	-1.0	-48.24	255.65	6.98	-41.26
CN(C(=O)C=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573719	1	27	-1.0	-48.34	255.51	7.00	-41.34
CN(C(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004573720	0	25	-1.0	-55.60	245.70	6.98	-48.62
CN(C(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004573720	1	25	-1.0	-55.54	245.84	6.96	-48.58
COC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573721	0	31	-1.0	-50.12	268.26	5.79	-44.33
COC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573721	1	31	-1.0	-49.98	268.40	5.76	-44.22
CN(C(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004573722	0	29	-1.0	-59.48	261.94	6.96	-52.52
CN(C(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004573722	1	29	-1.0	-59.56	261.79	6.97	-52.59
COC1=CC=CC=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004573723	0	31	-1.0	-52.32	267.13	5.84	-46.48
COC1=CC=CC=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004573723	1	31	-1.0	-52.21	267.28	5.84	-46.37
CN(C(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004573724	0	26	-1.0	-47.35	251.94	6.74	-40.61
CN(C(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004573724	1	26	-1.0	-47.30	252.09	6.73	-40.57
CN(C(=O)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL250004573725	0	26	-1.0	-47.00	251.15	6.60	-40.40
CN(C(=O)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL250004573725	1	26	-1.0	-47.11	251.02	6.62	-40.49
CN(C(=O)C1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004573726	0	23	-1.0	-45.80	225.54	5.50	-40.30
CN(C(=O)C1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004573726	1	23	-1.0	-45.69	225.68	5.50	-40.19
CN(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004573727	0	28	-1.0	-54.68	253.17	6.42	-48.26
CN(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004573727	1	28	-1.0	-54.75	253.04	6.46	-48.29
CN(C(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573728	0	29	-1.0	-48.21	260.07	4.09	-44.12
CN(C(=O)C1=CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573728	1	29	-1.0	-48.16	260.21	4.12	-44.04
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004573729	0	36	-1.0	-48.81	305.12	6.22	-42.59
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004573729	1	36	-1.0	-48.79	305.26	6.20	-42.59
CC1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573730	0	31	-1.0	-48.04	264.46	5.93	-42.11
CC1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573730	1	31	-1.0	-47.97	264.59	5.92	-42.05
CN(C(=O)C1=NC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004573731	0	22	-1.0	-46.60	228.64	5.12	-41.48
CN(C(=O)C1=NC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004573731	1	22	-1.0	-46.53	228.78	5.12	-41.41
CN(C(=O)COC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004573732	0	28	-1.0	-51.69	259.60	6.26	-45.43
CN(C(=O)COC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004573732	1	28	-1.0	-51.79	259.46	6.28	-45.51
CN(C(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=N[N-]N=N1	REAL250004573733	0	37	-1.0	-28.77	270.36	7.01	-21.76
CN(C(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=NN=N[N-]1	REAL250004573733	1	37	-1.0	-28.86	270.25	7.05	-21.81
CCOC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573734	0	34	-1.0	-55.76	289.88	6.53	-49.23
CCOC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573734	1	34	-1.0	-55.81	289.75	6.55	-49.26
CCC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573735	0	33	-1.0	-50.42	281.67	7.29	-43.13
CCC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573735	1	33	-1.0	-50.53	281.53	7.32	-43.21
CN(C(=O)C1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004573736	0	28	-1.0	-60.00	244.87	5.55	-54.45
CN(C(=O)C1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004573736	1	28	-1.0	-59.89	245.00	5.53	-54.36
CC1=CN2C(=O)C(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004573737	0	31	-1.0	-63.09	275.59	5.64	-57.45
CC1=CN2C(=O)C(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004573737	1	31	-1.0	-63.06	275.73	5.64	-57.42
CCCCC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573738	0	38	-1.0	-47.58	315.74	8.98	-38.60
CCCCC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573738	1	38	-1.0	-47.70	315.61	9.00	-38.70
CC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=N1	REAL250004573739	0	31	-1.0	-46.75	275.08	5.55	-41.20
CC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=N1	REAL250004573739	1	31	-1.0	-46.70	275.22	5.52	-41.18
CN(C(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL250004573740	0	30	-1.0	-48.63	274.41	7.31	-41.32
CN(C(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL250004573740	1	30	-1.0	-48.54	274.55	7.29	-41.25
CN(C(=O)C1=CN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573741	0	30	-1.0	-48.06	258.87	7.36	-40.70
CN(C(=O)C1=CN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573741	1	30	-1.0	-47.97	259.02	7.35	-40.62
CN(C(=O)C=CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004573742	0	31	-1.0	-51.89	277.04	6.11	-45.78
CN(C(=O)C=CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004573742	1	31	-1.0	-51.96	276.89	6.11	-45.85
CN(C(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004573743	0	41	-1.0	-46.05	327.46	9.11	-36.94
CN(C(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004573743	1	41	-1.0	-46.16	327.33	9.13	-37.03
CN(C(=O)CSC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004573744	0	34	-1.0	-48.50	293.92	8.38	-40.12
CN(C(=O)CSC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004573744	1	34	-1.0	-48.52	293.79	8.40	-40.12
CN(C(=O)COC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004573745	0	27	-1.0	-52.14	261.22	6.45	-45.69
CN(C(=O)COC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004573745	1	27	-1.0	-52.22	261.08	6.47	-45.75
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004573746	0	27	-1.0	-45.82	237.74	4.29	-41.53
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004573746	1	27	-1.0	-45.72	237.88	4.29	-41.43
CC1=NOC(C(C)C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573747	0	31	-1.0	-42.51	270.79	5.47	-37.04
CC1=NOC(C(C)C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573747	1	31	-1.0	-42.56	270.65	5.48	-37.08
COC1=CC=C(OC)C(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573748	0	34	-1.0	-51.25	287.66	4.61	-46.64
COC1=CC=C(OC)C(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573748	1	34	-1.0	-51.29	287.53	4.63	-46.66
COC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573749	0	31	-1.0	-48.46	277.86	5.76	-42.70
COC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573749	1	31	-1.0	-48.55	277.72	5.79	-42.76
CCOC1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573750	0	36	-1.0	-48.52	301.43	7.07	-41.45
CCOC1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573750	1	36	-1.0	-48.56	301.30	7.09	-41.47
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004573751	0	27	-1.0	-50.39	239.84	4.32	-46.07
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004573751	1	27	-1.0	-50.30	239.98	4.30	-46.00
CN(C(=O)CCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004573752	0	30	-1.0	-57.39	277.68	3.32	-54.07
CN(C(=O)CCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004573752	1	30	-1.0	-57.51	277.55	3.36	-54.15
CN(C(=O)CCCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004573753	0	33	-1.0	-50.85	299.18	4.13	-46.72
CN(C(=O)CCCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004573753	1	33	-1.0	-50.93	299.05	4.16	-46.77
CN(C(=O)C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004573754	0	37	-1.0	-33.51	259.35	6.85	-26.66
CN(C(=O)C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004573754	1	37	-1.0	-33.60	259.25	6.82	-26.78
CN(C(=O)C1CC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004573755	0	31	-1.0	-47.30	255.94	4.32	-42.98
CN(C(=O)C1CC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004573755	1	31	-1.0	-47.36	255.80	4.35	-43.01
CN(C(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL250004573756	0	32	-1.0	-49.49	264.94	4.86	-44.63
CN(C(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL250004573756	1	32	-1.0	-49.39	265.08	4.86	-44.53
CN(C(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004573757	0	30	-1.0	-48.49	261.30	6.13	-42.36
CN(C(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004573757	1	30	-1.0	-48.39	261.44	6.13	-42.26
CC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004573758	0	31	-1.0	-45.85	284.17	6.50	-39.35
CC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004573758	1	31	-1.0	-45.88	284.03	6.54	-39.34
CN(C(=O)C1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004573759	0	26	-1.0	-44.17	245.91	4.11	-40.06
CN(C(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004573759	1	26	-1.0	-44.25	245.79	4.11	-40.14
CN(C(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=NN=N[N-]1	REAL250004573760	0	28	-1.0	-53.81	254.96	5.12	-48.69
CN(C(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=N[N-]N=N1	REAL250004573760	1	28	-1.0	-53.71	255.10	5.10	-48.61
CCOC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573761	0	34	-1.0	-48.45	299.71	6.69	-41.76
CCOC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573761	1	34	-1.0	-48.51	299.58	6.71	-41.80
CN(C(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004573762	0	29	-1.0	-46.36	263.57	4.63	-41.73
CN(C(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004573762	1	29	-1.0	-46.43	263.43	4.62	-41.81
CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL250004573763	0	37	-1.0	-55.72	314.71	3.08	-52.64
CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL250004573763	1	37	-1.0	-55.74	314.57	3.10	-52.64
CCSC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573764	0	30	-1.0	-52.16	258.84	6.74	-45.42
CCSC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573764	1	30	-1.0	-52.10	258.98	6.73	-45.37
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL250004573765	0	29	-1.0	-43.28	257.64	6.57	-36.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL250004573765	1	29	-1.0	-43.21	257.78	6.55	-36.66
CN(C(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573766	0	35	-1.0	-47.18	292.55	7.37	-39.81
CN(C(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573766	1	35	-1.0	-47.14	292.68	7.35	-39.79
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL250004573767	0	29	-1.0	-43.04	267.85	7.03	-36.01
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL250004573767	1	29	-1.0	-42.99	268.00	7.01	-35.98
CN(C(=O)C=CC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004573768	0	29	-1.0	-49.34	264.17	3.56	-45.78
CN(C(=O)C=CC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004573768	1	29	-1.0	-49.39	264.03	3.56	-45.83
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004573769	0	31	-1.0	-47.10	263.74	7.70	-39.40
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004573769	1	31	-1.0	-46.99	263.88	7.70	-39.29
CN(C(=O)CSC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004573770	0	27	-1.0	-46.38	261.07	6.59	-39.79
CN(C(=O)CSC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004573770	1	27	-1.0	-46.45	260.94	6.62	-39.83
CCC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573771	0	33	-1.0	-47.98	281.66	7.92	-40.06
CCC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573771	1	33	-1.0	-47.91	281.81	7.91	-40.00
CN(C(=O)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573772	0	30	-1.0	-57.10	254.84	6.62	-50.48
CN(C(=O)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573772	1	30	-1.0	-56.99	254.98	6.61	-50.38
CN(C(=O)CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004573773	0	30	-1.0	-51.05	269.12	5.55	-45.50
CN(C(=O)CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004573773	1	30	-1.0	-51.13	268.99	5.58	-45.55
CN(C(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004573774	0	23	-1.0	-41.89	236.89	5.96	-35.93
CN(C(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004573774	1	23	-1.0	-41.98	236.75	5.96	-36.02
CN(C(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004573775	0	29	-1.0	-48.10	269.37	6.73	-41.37
CN(C(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004573775	1	29	-1.0	-48.02	269.51	6.72	-41.30
CC(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573776	0	37	-1.0	-47.03	302.92	7.15	-39.88
CC(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573776	1	37	-1.0	-46.96	303.06	7.14	-39.82
CN(C(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=NN=N[N-]1	REAL250004573777	0	23	-1.0	-45.38	243.08	5.79	-39.59
CN(C(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=N[N-]N=N1	REAL250004573777	1	23	-1.0	-45.30	243.23	5.78	-39.52
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL250004573778	0	29	-1.0	-47.43	257.45	6.86	-40.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL250004573778	1	29	-1.0	-47.35	257.59	6.84	-40.51
CN(C(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL250004573779	0	31	-1.0	-50.79	262.09	7.66	-43.13
CN(C(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL250004573779	1	31	-1.0	-50.68	262.23	7.67	-43.01
CN(C(=O)C1=CC=CN=C1N1CCCC1)C1=N[N-]N=N1	REAL250004573780	0	34	-1.0	-50.27	274.47	4.94	-45.33
CN(C(=O)C1=CC=CN=C1N1CCCC1)C1=NN=N[N-]1	REAL250004573780	1	34	-1.0	-50.32	274.32	4.96	-45.36
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC2=C1OCCO2	REAL250004573781	0	33	-1.0	-47.64	276.65	3.94	-43.70
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC2=C1OCCO2	REAL250004573781	1	33	-1.0	-47.60	276.78	3.93	-43.67
CN(C(=O)C1=CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004573782	0	26	-1.0	-46.59	239.23	6.25	-40.34
CN(C(=O)C1=CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004573782	1	26	-1.0	-46.53	239.37	6.24	-40.29
CC(=O)NC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573783	0	33	-1.0	-53.88	286.23	4.85	-49.03
CC(=O)NC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573783	1	33	-1.0	-53.96	286.10	4.88	-49.08
CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573784	0	33	-1.0	-51.15	283.51	3.92	-47.23
CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573784	1	33	-1.0	-51.07	283.66	3.92	-47.15
CN(C(=O)COC1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004573785	0	39	-1.0	-49.79	309.95	8.38	-41.41
CN(C(=O)COC1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004573785	1	39	-1.0	-49.88	309.82	8.40	-41.48
CN(C(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL250004573786	0	30	-1.0	-47.97	268.17	7.31	-40.66
CN(C(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL250004573786	1	30	-1.0	-47.93	268.31	7.31	-40.62
CC(C)C1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573787	0	36	-1.0	-50.24	298.98	7.78	-42.46
CC(C)C1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573787	1	36	-1.0	-50.37	298.84	7.80	-42.57
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573788	0	34	-1.0	-54.77	294.88	6.25	-48.52
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573788	1	34	-1.0	-54.66	295.03	6.22	-48.44
CC1=CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CN2C=C1	REAL250004573789	0	29	-1.0	-51.19	254.32	6.98	-44.21
CC1=CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CN2C=C1	REAL250004573789	1	29	-1.0	-51.12	254.47	6.96	-44.16
CN(C(=O)C1=CC2=CC=CC=C2OC1)C1=NN=N[N-]1	REAL250004573790	0	29	-1.0	-47.10	255.72	5.64	-41.46
CN(C(=O)C1=CC2=CC=CC=C2OC1)C1=N[N-]N=N1	REAL250004573790	1	29	-1.0	-46.99	255.89	5.64	-41.35
CN(C(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL250004573791	0	34	-1.0	-64.68	281.32	6.04	-58.64
CN(C(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL250004573791	1	34	-1.0	-64.59	281.47	6.05	-58.54
CN(C(=O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004573792	0	36	-1.0	-52.73	296.37	2.72	-50.01
CN(C(=O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004573792	1	36	-1.0	-52.85	296.23	2.76	-50.09
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004573793	0	30	-1.0	-50.83	265.60	5.35	-45.48
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004573793	1	30	-1.0	-50.97	265.46	5.37	-45.60
CN(C(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004573794	0	34	-1.0	-47.48	302.03	5.44	-42.04
CN(C(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004573794	1	34	-1.0	-47.41	302.16	5.41	-42.00
CC1=CC=C(C2=C(C(=O)N(C)C3=NN=N[N-]3)SC=C2)C=C1	REAL250004573795	0	33	-1.0	-49.33	288.29	8.11	-41.22
CC1=CC=C(C2=C(C(=O)N(C)C3=N[N-]N=N3)SC=C2)C=C1	REAL250004573795	1	33	-1.0	-49.20	288.43	8.09	-41.11
CN(C(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004573796	0	33	-1.0	-48.32	265.65	7.41	-40.91
CN(C(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004573796	1	33	-1.0	-48.27	265.79	7.42	-40.85
COC1=CC=C(C)C=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004573797	0	34	-1.0	-51.87	288.52	6.51	-45.36
COC1=CC=C(C)C=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004573797	1	34	-1.0	-51.80	288.67	6.50	-45.30
COC1=CC=C(C)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573798	0	33	-1.0	-50.01	279.58	5.99	-44.02
COC1=CC=C(C)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573798	1	33	-1.0	-50.09	279.45	6.02	-44.07
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573799	0	29	-1.0	-50.37	261.45	5.46	-44.91
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573799	1	29	-1.0	-50.30	261.59	5.44	-44.86
CN(C(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573800	0	34	-1.0	-51.85	298.50	7.73	-44.12
CN(C(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573800	1	34	-1.0	-51.88	298.35	7.74	-44.14
COC1=CC(OC)=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573801	0	35	-1.0	-49.43	297.86	5.07	-44.36
COC1=CC(OC)=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573801	1	35	-1.0	-49.49	297.71	5.09	-44.40
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573802	0	27	-1.0	-40.56	245.63	4.46	-36.10
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573802	1	27	-1.0	-40.50	245.77	4.46	-36.04
CN(C(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004573803	0	34	-1.0	-48.57	302.80	2.74	-45.83
CN(C(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004573803	1	34	-1.0	-48.66	302.67	2.77	-45.89
CN(C(=O)C1(C2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL250004573804	0	33	-1.0	-48.88	263.84	7.14	-41.74
CN(C(=O)C1(C2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL250004573804	1	33	-1.0	-48.82	263.98	7.12	-41.70
CCC1=C(C=CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004573805	0	36	-1.0	-47.84	312.27	8.58	-39.26
CCC1=C(C=CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004573805	1	36	-1.0	-47.79	312.42	8.58	-39.21
CN(C(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573806	0	36	-1.0	-49.87	309.97	8.00	-41.87
CN(C(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573806	1	36	-1.0	-49.80	310.10	7.96	-41.84
COC1=CC(OC)=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573807	0	37	-1.0	-48.87	310.26	5.39	-43.48
COC1=CC(OC)=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573807	1	37	-1.0	-48.91	310.13	5.42	-43.49
CN(C(=O)C1COC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004573808	0	31	-1.0	-34.56	254.61	5.76	-28.80
CN(C(=O)C1COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004573808	1	31	-1.0	-34.61	254.47	5.78	-28.83
CC(=O)C1=C(C)OC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573809	0	34	-1.0	-47.95	294.93	6.28	-41.67
CC(=O)C1=C(C)OC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573809	1	34	-1.0	-48.06	294.79	6.31	-41.75
CC1=NN(C)C(C)=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004573810	0	31	-1.0	-46.37	267.71	3.68	-42.69
CC1=NN(C)C(C)=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004573810	1	31	-1.0	-46.24	267.84	3.68	-42.56
CN(C(=O)C1COC2=CC=C(Cl)C=C2C1)C1=N[N-]N=N1	REAL250004573811	0	31	-1.0	-31.75	271.85	6.36	-25.39
CN(C(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NN=N[N-]1	REAL250004573811	1	31	-1.0	-31.92	271.99	6.39	-25.53
CCOC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573812	0	34	-1.0	-52.23	290.67	4.05	-48.18
CCOC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573812	1	34	-1.0	-52.31	290.53	4.05	-48.26
CC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004573813	0	33	-1.0	-44.76	259.92	4.37	-40.39
CC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004573813	1	33	-1.0	-44.84	259.79	4.37	-40.47
CC1=CC2=CC=CC=C2N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573814	0	33	-1.0	-51.34	281.97	7.86	-43.48
CC1=CC2=CC=CC=C2N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573814	1	33	-1.0	-51.25	282.11	7.84	-43.41
CN(C(=O)C1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL250004573815	0	26	-1.0	-48.44	260.98	5.76	-42.68
CN(C(=O)C1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL250004573815	1	26	-1.0	-48.33	261.13	5.74	-42.59
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004573816	0	33	-1.0	-55.87	280.42	7.59	-48.28
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004573816	1	33	-1.0	-55.74	280.57	7.57	-48.17
CN(C(=O)C1CCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004573817	0	31	-1.0	-49.53	264.75	1.10	-48.43
CN(C(=O)C1CCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004573817	1	31	-1.0	-49.59	264.60	1.10	-48.49
CN(C(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL250004573818	0	34	-1.0	-39.17	294.23	6.92	-32.25
CN(C(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL250004573818	1	34	-1.0	-39.10	294.36	6.90	-32.20
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573819	0	33	-1.0	-48.44	285.85	6.58	-41.86
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573819	1	33	-1.0	-48.35	285.99	6.55	-41.80
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573820	0	30	-1.0	-48.04	260.36	6.11	-41.93
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573820	1	30	-1.0	-47.99	260.50	6.08	-41.91
CN(C(=O)C1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL250004573821	0	34	-1.0	-55.45	281.35	6.94	-48.51
CN(C(=O)C1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL250004573821	1	34	-1.0	-55.37	281.48	6.93	-48.44
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004573822	0	25	-1.0	-45.99	237.01	4.45	-41.54
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004573822	1	25	-1.0	-46.04	236.87	4.46	-41.58
CN(C(=O)CCN1CCSC1=O)C1=N[N-]N=N1	REAL250004573823	0	28	-1.0	-52.94	254.77	3.71	-49.23
CN(C(=O)CCN1CCSC1=O)C1=NN=N[N-]1	REAL250004573823	1	28	-1.0	-53.05	254.64	3.74	-49.31
CN(C(=O)CCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004573824	0	29	-1.0	-54.93	256.60	3.42	-51.51
CN(C(=O)CCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004573824	1	29	-1.0	-54.96	256.47	3.46	-51.50
CC(C)CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573825	0	38	-1.0	-47.55	311.06	8.65	-38.90
CC(C)CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573825	1	38	-1.0	-47.61	310.93	8.68	-38.93
CN(C(=O)CC1=NOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573826	0	28	-1.0	-54.12	253.08	5.33	-48.79
CN(C(=O)CC1=NOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573826	1	28	-1.0	-54.03	253.21	5.29	-48.74
CC1=CC=NN1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573827	0	33	-1.0	-49.76	279.35	6.51	-43.25
CC1=CC=NN1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573827	1	33	-1.0	-49.66	279.49	6.51	-43.15
CN(C(=O)CC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004573828	0	29	-1.0	-52.93	251.62	1.61	-51.32
CN(C(=O)CC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004573828	1	29	-1.0	-53.07	251.48	1.64	-51.43
CN(C)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573829	0	37	-1.0	-47.49	302.77	7.19	-40.30
CN(C)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573829	1	37	-1.0	-47.59	302.63	7.21	-40.38
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=C(N=CN(C)C2=O)O1	REAL250004573830	0	31	-1.0	-63.72	279.15	3.65	-60.07
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=C(N=CN(C)C2=O)O1	REAL250004573830	1	31	-1.0	-63.64	279.29	3.62	-60.02
CN(C(=O)CN1C=CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004573831	0	29	-1.0	-56.18	257.87	3.94	-52.24
CN(C(=O)CN1C=CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004573831	1	29	-1.0	-56.26	257.74	3.96	-52.30
CN(C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=NN=N[N-]1	REAL250004573832	0	26	-1.0	-43.89	231.27	5.87	-38.02
CN(C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=N[N-]N=N1	REAL250004573832	1	26	-1.0	-43.77	231.41	5.84	-37.93
CN(C(=O)C1=CC(Br)=CN1C)C1=N[N-]N=N1	REAL250004573833	0	24	-1.0	-44.84	227.05	5.06	-39.78
CN(C(=O)C1=CC(Br)=CN1C)C1=NN=N[N-]1	REAL250004573833	1	24	-1.0	-44.94	226.89	5.09	-39.85
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004573834	0	33	-1.0	-49.12	279.44	6.01	-43.11
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004573834	1	33	-1.0	-49.23	279.31	6.04	-43.19
CC1=NC(C)=C(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004573835	0	34	-1.0	-55.36	288.80	3.94	-51.42
CC1=NC(C)=C(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004573835	1	34	-1.0	-55.37	288.66	3.97	-51.40
CC1CC1C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004573836	0	34	-1.0	-49.97	291.62	7.63	-42.34
CC1CC1C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004573836	1	34	-1.0	-50.04	291.47	7.64	-42.40
CC1=NN(C)C(C)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573837	0	35	-1.0	-49.00	292.12	5.51	-43.49
CC1=NN(C)C(C)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573837	1	35	-1.0	-49.09	291.99	5.54	-43.55
CC1=CC=CC2=C1N=CN(CC(=O)N(C)C1=NN=N[N-]1)C2=O	REAL250004573838	0	34	-1.0	-57.32	295.54	7.30	-50.02
CC1=CC=CC2=C1N=CN(CC(=O)N(C)C1=N[N-]N=N1)C2=O	REAL250004573838	1	34	-1.0	-57.21	295.68	7.27	-49.94
CN(C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=NN=N[N-]1	REAL250004573839	0	26	-1.0	-44.52	234.65	5.20	-39.32
CN(C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=N[N-]N=N1	REAL250004573839	1	26	-1.0	-44.45	234.79	5.18	-39.27
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573840	0	35	-1.0	-47.23	294.16	7.45	-39.78
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573840	1	35	-1.0	-47.15	294.31	7.43	-39.72
CN(C(=O)C1CCN(C2=NC=CS2)CC1)C1=NN=N[N-]1	REAL250004573841	0	34	-1.0	-33.84	282.14	4.54	-29.30
CN(C(=O)C1CCN(C2=NC=CS2)CC1)C1=N[N-]N=N1	REAL250004573841	1	34	-1.0	-33.77	282.27	4.53	-29.24
CN(C(=O)CC1C=CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004573842	0	27	-1.0	-53.61	243.54	1.39	-52.22
CN(C(=O)CC1C=CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004573842	1	27	-1.0	-53.74	243.41	1.41	-52.33
CN(C(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004573843	0	29	-1.0	-44.30	260.89	6.62	-37.68
CN(C(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004573843	1	29	-1.0	-44.26	261.03	6.61	-37.65
CC(=O)N1CCC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004573844	0	34	-1.0	-53.07	282.07	5.97	-47.10
CC(=O)N1CCC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004573844	1	34	-1.0	-52.97	282.22	5.96	-47.01
CN(C(=O)CN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004573845	0	30	-1.0	-57.52	271.74	3.55	-53.97
CN(C(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004573845	1	30	-1.0	-57.59	271.61	3.58	-54.01
CC1=CC=C(C2=NN(CC(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004573846	0	34	-1.0	-54.69	302.95	5.60	-49.09
CC1=CC=C(C2=NN(CC(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004573846	1	34	-1.0	-54.74	302.81	5.63	-49.11
COC1=CC=C(Cl)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573847	0	30	-1.0	-48.75	274.91	5.83	-42.92
COC1=CC=C(Cl)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573847	1	30	-1.0	-48.80	274.77	5.87	-42.93
CN(C(=O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004573848	0	23	-1.0	-48.06	227.14	5.52	-42.54
CN(C(=O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004573848	1	23	-1.0	-48.01	227.28	5.51	-42.50
CN(C(=O)C1=CC=CC=C1OCC(N)=O)C1=NN=N[N-]1	REAL250004573849	0	31	-1.0	-69.98	267.42	3.17	-66.81
CN(C(=O)C1=CC=CC=C1OCC(N)=O)C1=N[N-]N=N1	REAL250004573849	1	31	-1.0	-69.92	267.57	3.16	-66.76
CC1=CC=C(C)C(SCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573850	0	33	-1.0	-47.66	288.29	7.71	-39.95
CC1=CC=C(C)C(SCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573850	1	33	-1.0	-47.72	288.15	7.73	-39.99
CN(C(=O)CSC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573851	0	33	-1.0	-49.54	294.47	8.74	-40.80
CN(C(=O)CSC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573851	1	33	-1.0	-49.56	294.34	8.76	-40.80
CN(C(=O)C1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004573852	0	23	-1.0	-48.52	222.80	5.48	-43.04
CN(C(=O)C1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004573852	1	23	-1.0	-48.47	222.94	5.48	-42.99
CCCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573853	0	35	-1.0	-47.79	287.50	7.90	-39.89
CCCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573853	1	35	-1.0	-47.72	287.65	7.90	-39.82
CN(C(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NN=N[N-]1	REAL250004573854	0	34	-1.0	-48.56	287.24	9.02	-39.54
CN(C(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=N[N-]N=N1	REAL250004573854	1	34	-1.0	-48.51	287.38	9.03	-39.48
CN(C(=O)C1=CC=CC=C1SCC(N)=O)C1=NN=N[N-]1	REAL250004573855	0	31	-1.0	-63.81	274.85	2.81	-61.00
CN(C(=O)C1=CC=CC=C1SCC(N)=O)C1=N[N-]N=N1	REAL250004573855	1	31	-1.0	-63.71	274.99	2.81	-60.90
CN(C(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=N[N-]N=N1	REAL250004573856	0	29	-1.0	-44.99	272.61	6.15	-38.84
CN(C(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NN=N[N-]1	REAL250004573856	1	29	-1.0	-45.05	272.46	6.15	-38.90
CN(C(=O)CCSC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004573857	0	30	-1.0	-46.41	275.82	7.28	-39.13
CN(C(=O)CCSC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004573857	1	30	-1.0	-46.48	275.69	7.30	-39.18
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004573858	0	33	-1.0	-48.76	286.99	6.15	-42.61
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004573858	1	33	-1.0	-48.88	286.85	6.18	-42.70
CN(C(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL250004573859	0	22	-1.0	-40.43	229.28	4.03	-36.40
CN(C(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL250004573859	1	22	-1.0	-40.38	229.43	4.02	-36.36
CN(C(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573860	0	31	-1.0	-44.19	266.92	5.05	-39.14
CN(C(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573860	1	31	-1.0	-44.15	267.06	5.04	-39.11
CN(C(=O)CCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004573861	0	29	-1.0	-47.05	263.83	7.13	-39.92
CN(C(=O)CCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004573861	1	29	-1.0	-47.11	263.70	7.16	-39.95
CN(C(=O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004573862	0	32	-1.0	-49.93	275.84	8.26	-41.67
CN(C(=O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004573862	1	32	-1.0	-49.87	275.98	8.23	-41.64
CSC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573863	0	29	-1.0	-58.17	271.74	7.51	-50.66
CSC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573863	1	29	-1.0	-58.14	271.88	7.50	-50.64
CN(C(=O)C1=CC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL250004573864	0	33	-1.0	-46.62	273.05	7.07	-39.55
CN(C(=O)C1=CC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL250004573864	1	33	-1.0	-46.57	273.20	7.05	-39.52
CN(C(=O)C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004573865	0	27	-1.0	-47.99	241.42	4.50	-43.49
CN(C(=O)C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004573865	1	27	-1.0	-48.10	241.28	4.50	-43.60
CN(C(=O)CC1OC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573866	0	30	-1.0	-58.09	267.17	6.81	-51.28
CN(C(=O)CC1OC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573866	1	30	-1.0	-58.17	267.04	6.83	-51.34
CN(C(=O)COC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573867	0	27	-1.0	-49.86	245.19	5.92	-43.94
CN(C(=O)COC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573867	1	27	-1.0	-49.92	245.06	5.94	-43.98
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573868	0	33	-1.0	-50.18	293.66	7.15	-43.03
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573868	1	33	-1.0	-50.26	293.52	7.15	-43.11
CN(C(=O)CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004573869	0	32	-1.0	-51.62	274.37	5.13	-46.49
CN(C(=O)CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004573869	1	32	-1.0	-51.71	274.24	5.16	-46.55
CN(C(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NN=N[N-]1	REAL250004573870	0	26	-1.0	-47.56	254.94	6.70	-40.86
CN(C(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=N[N-]N=N1	REAL250004573870	1	26	-1.0	-47.50	255.08	6.68	-40.82
CN(C(=O)CCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004573871	0	29	-1.0	-45.58	267.99	7.30	-38.28
CN(C(=O)CCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004573871	1	29	-1.0	-45.67	267.86	7.33	-38.34
CN(C(=O)CCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004573872	0	30	-1.0	-48.11	272.12	7.18	-40.93
CN(C(=O)CCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004573872	1	30	-1.0	-48.20	271.98	7.20	-41.00
CN(C(=O)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL250004573873	0	23	-1.0	-49.26	223.34	5.53	-43.73
CN(C(=O)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL250004573873	1	23	-1.0	-49.34	223.21	5.54	-43.80
CCNC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004573874	0	33	-1.0	-51.72	282.60	5.43	-46.29
CCNC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004573874	1	33	-1.0	-51.68	282.75	5.41	-46.27
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004573875	0	35	-1.0	-52.80	295.98	5.14	-47.66
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004573875	1	35	-1.0	-52.91	295.83	5.14	-47.77
CC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004573876	0	36	-1.0	-43.42	282.41	4.09	-39.33
CC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004573876	1	36	-1.0	-43.54	282.27	4.09	-39.45
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL250004573877	0	35	-1.0	-48.02	289.45	4.81	-43.21
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL250004573877	1	35	-1.0	-47.93	289.59	4.81	-43.12
COC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573878	0	34	-1.0	-46.74	299.53	6.52	-40.22
COC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573878	1	34	-1.0	-46.82	299.39	6.56	-40.26
CN(C(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573879	0	27	-1.0	-45.62	272.39	7.51	-38.11
CN(C(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573879	1	27	-1.0	-45.70	272.25	7.52	-38.18
CN(C(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004573880	0	27	-1.0	-47.70	269.90	7.41	-40.29
CN(C(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004573880	1	27	-1.0	-47.83	269.76	7.42	-40.41
CN(C(=O)CC1=CC(F)=CC2=C1OCOC2)C1=N[N-]N=N1	REAL250004573881	0	32	-1.0	-52.19	279.59	5.16	-47.03
CN(C(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NN=N[N-]1	REAL250004573881	1	32	-1.0	-52.30	279.45	5.19	-47.11
CN(C(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004573882	0	34	-1.0	-52.18	296.40	6.96	-45.22
CN(C(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004573882	1	34	-1.0	-52.10	296.54	6.94	-45.16
CC(SC1=CC=C(Cl)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573883	0	30	-1.0	-45.92	280.94	7.34	-38.58
CC(SC1=CC=C(Cl)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573883	1	30	-1.0	-46.04	280.81	7.37	-38.67
CN(C(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004573884	0	29	-1.0	-47.34	268.61	6.97	-40.37
CN(C(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004573884	1	29	-1.0	-47.41	268.47	7.00	-40.41
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004573885	0	31	-1.0	-48.61	284.35	6.34	-42.27
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004573885	1	31	-1.0	-48.72	284.20	6.34	-42.38
COC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004573886	0	35	-1.0	-46.39	293.12	5.28	-41.11
COC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004573886	1	35	-1.0	-46.30	293.26	5.26	-41.04
CN(C(=O)CCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004573887	0	29	-1.0	-46.09	268.00	7.28	-38.81
CN(C(=O)CCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004573887	1	29	-1.0	-46.20	267.86	7.32	-38.88
COC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)CC2=C1	REAL250004573888	0	35	-1.0	-34.65	284.65	5.13	-29.52
COC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)CC2=C1	REAL250004573888	1	35	-1.0	-34.77	284.78	5.17	-29.60
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004573889	0	33	-1.0	-47.60	280.07	6.55	-41.05
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004573889	1	33	-1.0	-47.53	280.22	6.53	-41.00
CN(C(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004573890	0	32	-1.0	-61.15	286.40	3.09	-58.06
CN(C(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004573890	1	32	-1.0	-61.23	286.25	3.08	-58.15
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004573891	0	31	-1.0	-52.19	262.66	4.13	-48.06
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004573891	1	31	-1.0	-52.17	262.80	4.11	-48.06
CN(C(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004573892	0	29	-1.0	-48.24	268.59	6.96	-41.28
CN(C(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004573892	1	29	-1.0	-48.31	268.46	6.99	-41.32
CN(C(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573893	0	30	-1.0	-46.95	264.91	7.48	-39.47
CN(C(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573893	1	30	-1.0	-46.87	265.05	7.45	-39.42
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(F)C=CC=C12	REAL250004573894	0	29	-1.0	-46.64	257.56	6.56	-40.08
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(F)C=CC=C12	REAL250004573894	1	29	-1.0	-46.57	257.70	6.56	-40.01
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004573895	0	37	-1.0	-49.04	311.58	6.08	-42.96
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004573895	1	37	-1.0	-49.11	311.45	6.11	-43.00
CCC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573896	0	33	-1.0	-50.61	280.48	7.31	-43.30
CCC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573896	1	33	-1.0	-50.72	280.34	7.34	-43.38
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004573897	0	32	-1.0	-46.23	286.72	7.88	-38.35
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004573897	1	32	-1.0	-46.33	286.59	7.91	-38.42
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N=C1C	REAL250004573898	0	33	-1.0	-48.29	277.98	4.46	-43.83
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N=C1C	REAL250004573898	1	33	-1.0	-48.20	278.12	4.47	-43.73
CN(C(=O)C1=CC=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573899	0	28	-1.0	-48.50	242.90	5.32	-43.18
CN(C(=O)C1=CC=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573899	1	28	-1.0	-48.38	243.03	5.31	-43.07
CN(C(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004573900	0	32	-1.0	-57.90	285.55	4.60	-53.30
CN(C(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004573900	1	32	-1.0	-57.84	285.68	4.58	-53.26
CN(C(=O)CCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004573901	0	31	-1.0	-48.85	282.93	6.20	-42.65
CN(C(=O)CCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004573901	1	31	-1.0	-48.92	282.79	6.23	-42.69
COC1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573902	0	33	-1.0	-48.50	279.58	6.13	-42.37
COC1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573902	1	33	-1.0	-48.57	279.44	6.17	-42.40
CCN1N=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004573903	0	31	-1.0	-51.90	268.83	4.26	-47.64
CCN1N=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004573903	1	31	-1.0	-51.83	268.96	4.27	-47.56
CN(C(=O)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004573904	0	27	-1.0	-47.16	240.60	4.40	-42.76
CN(C(=O)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004573904	1	27	-1.0	-47.14	240.73	4.38	-42.76
CN(C(=O)C1=CC2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL250004573905	0	26	-1.0	-44.07	245.46	6.30	-37.77
CN(C(=O)C1=CC2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL250004573905	1	26	-1.0	-44.01	245.61	6.29	-37.72
CN(C(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004573906	0	33	-1.0	-54.00	285.85	6.57	-47.43
CN(C(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004573906	1	33	-1.0	-53.96	285.99	6.57	-47.39
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1N1C=CC=C1	REAL250004573907	0	34	-1.0	-49.64	282.34	8.30	-41.34
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1N1C=CC=C1	REAL250004573907	1	34	-1.0	-49.54	282.48	8.30	-41.24
CN(C(=O)CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004573908	0	31	-1.0	-50.25	265.76	5.81	-44.44
CN(C(=O)CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004573908	1	31	-1.0	-50.33	265.62	5.84	-44.49
CN(C(=O)C=CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004573909	0	30	-1.0	-47.96	268.95	7.08	-40.88
CN(C(=O)C=CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004573909	1	30	-1.0	-47.90	269.09	7.07	-40.83
CN(C(=O)C=CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004573910	0	32	-1.0	-49.30	274.80	6.33	-42.97
CN(C(=O)C=CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004573910	1	32	-1.0	-49.38	274.66	6.34	-43.04
CC1=NN(C)C(Cl)=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004573911	0	30	-1.0	-47.06	280.51	5.28	-41.78
CC1=NN(C)C(Cl)=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004573911	1	30	-1.0	-47.16	280.36	5.29	-41.87
CC1=NN(C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL250004573912	0	29	-1.0	-46.52	263.60	4.51	-42.01
CC1=NN(C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL250004573912	1	29	-1.0	-46.40	263.75	4.50	-41.90
CN(C(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL250004573913	0	34	-1.0	-47.71	295.11	6.74	-40.97
CN(C(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL250004573913	1	34	-1.0	-47.78	294.97	6.76	-41.02
CN(C(=O)C1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573914	0	31	-1.0	-37.40	261.17	4.14	-33.26
CN(C(=O)C1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573914	1	31	-1.0	-37.32	261.40	4.13	-33.19
CC(C)N1N=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C21	REAL250004573915	0	34	-1.0	-47.14	289.89	5.67	-41.47
CC(C)N1N=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C21	REAL250004573915	1	34	-1.0	-47.10	290.02	5.66	-41.44
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004573916	0	28	-1.0	-49.31	242.72	5.28	-44.03
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004573916	1	28	-1.0	-49.21	242.85	5.27	-43.94
CN(C(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=N[N-]N=N1	REAL250004573917	0	31	-1.0	-51.24	279.27	4.41	-46.83
CN(C(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NN=N[N-]1	REAL250004573917	1	31	-1.0	-51.73	278.31	4.40	-47.33
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004573918	0	35	-1.0	-46.16	289.44	7.97	-38.19
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004573918	1	35	-1.0	-46.24	289.30	8.00	-38.24
C=C1C2=CC=CC=C2C(=O)N1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573919	0	35	-1.0	-53.34	305.68	7.06	-46.28
C=C1C2=CC=CC=C2C(=O)N1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573919	1	35	-1.0	-53.42	305.54	7.09	-46.33
CN(C(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004573920	0	34	-1.0	-47.99	283.93	6.19	-41.80
CN(C(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004573920	1	34	-1.0	-48.07	283.80	6.21	-41.86
CC1OC2=CC=CC=C2OC1C(=O)N(C)C1=N[N-]N=N1	REAL250004573921	0	32	-1.0	-47.55	263.98	6.01	-41.54
CC1OC2=CC=CC=C2OC1C(=O)N(C)C1=NN=N[N-]1	REAL250004573921	1	32	-1.0	-47.64	263.84	6.02	-41.62
CN(C(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573922	0	26	-1.0	-50.31	235.19	6.29	-44.02
CN(C(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573922	1	26	-1.0	-50.24	234.86	6.29	-43.95
CN(C(=O)C=CC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004573923	0	28	-1.0	-57.02	257.61	6.71	-50.31
CN(C(=O)C=CC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004573923	1	28	-1.0	-56.94	257.75	6.69	-50.25
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573924	0	31	-1.0	-45.66	270.18	5.99	-39.67
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573924	1	31	-1.0	-45.52	270.31	5.97	-39.55
COC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004573925	0	32	-1.0	-48.33	274.88	5.64	-42.69
COC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004573925	1	32	-1.0	-48.26	275.02	5.64	-42.62
CC1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573926	0	26	-1.0	-45.06	250.08	3.87	-41.19
CC1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573926	1	26	-1.0	-45.14	249.94	3.90	-41.24
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004573927	0	32	-1.0	-57.78	284.52	6.57	-51.21
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004573927	1	32	-1.0	-57.75	284.65	6.54	-51.21
CC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004573928	0	36	-1.0	-46.94	296.80	6.90	-40.04
CC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004573928	1	36	-1.0	-47.00	296.67	6.92	-40.08
CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004573929	0	34	-1.0	-51.28	280.95	1.67	-49.61
CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004573929	1	34	-1.0	-51.35	280.82	1.70	-49.65
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=N[N-]N=N1	REAL250004573930	0	33	-1.0	-45.90	281.82	7.67	-38.23
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=NN=N[N-]1	REAL250004573930	1	33	-1.0	-45.96	281.68	7.68	-38.28
CN(C(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=N[N-]N=N1	REAL250004573931	0	33	-1.0	-48.91	269.40	7.19	-41.72
CN(C(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=NN=N[N-]1	REAL250004573931	1	33	-1.0	-49.00	269.27	7.21	-41.79
CN(C(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL250004573932	0	33	-1.0	-45.91	271.49	7.21	-38.70
CN(C(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL250004573932	1	33	-1.0	-45.98	271.36	7.23	-38.75
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)=C1	REAL250004573933	0	36	-1.0	-50.00	286.40	7.83	-42.17
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)=C1	REAL250004573933	1	36	-1.0	-49.96	286.54	7.82	-42.14
CN(C(=O)CN1CCCCCC1=O)C1=N[N-]N=N1	REAL250004573934	0	33	-1.0	-53.25	266.53	5.00	-48.25
CN(C(=O)CN1CCCCCC1=O)C1=NN=N[N-]1	REAL250004573934	1	33	-1.0	-53.35	266.40	5.02	-48.33
CN(C(=O)C=CC1=CC=CC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004573935	0	33	-1.0	-50.89	282.08	8.63	-42.26
CN(C(=O)C=CC1=CC=CC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004573935	1	33	-1.0	-50.82	282.22	8.63	-42.19
CC1=NOC2=NC(C3CC3)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004573936	0	34	-1.0	-41.89	287.90	3.95	-37.94
CC1=NOC2=NC(C3CC3)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004573936	1	34	-1.0	-41.77	288.05	3.94	-37.83
CC1=NOC2=NC(C)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004573937	0	30	-1.0	-42.80	261.37	2.59	-40.21
CC1=NOC2=NC(C)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004573937	1	30	-1.0	-42.75	261.50	2.60	-40.15
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004573938	0	33	-1.0	-47.72	296.79	6.62	-41.10
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004573938	1	33	-1.0	-47.78	296.66	6.66	-41.12
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004573939	0	38	-1.0	-48.05	293.77	5.51	-42.54
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004573939	1	38	-1.0	-47.98	293.92	5.50	-42.48
CC1=CSC(=O)N1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004573940	0	29	-1.0	-50.19	263.71	4.47	-45.72
CC1=CSC(=O)N1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004573940	1	29	-1.0	-50.26	263.58	4.51	-45.75
CC1=NOC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=N1	REAL250004573941	0	31	-1.0	-47.05	275.39	4.29	-42.76
CC1=NOC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=N1	REAL250004573941	1	31	-1.0	-46.98	275.53	4.30	-42.68
CN(C(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573942	0	34	-1.0	-38.73	278.35	5.87	-32.86
CN(C(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573942	1	34	-1.0	-38.70	278.59	5.86	-32.84
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL250004573943	0	32	-1.0	-43.93	282.40	6.18	-37.75
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL250004573943	1	32	-1.0	-43.83	282.55	6.16	-37.67
CN(C(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004573944	0	29	-1.0	-46.51	258.35	5.45	-41.06
CN(C(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004573944	1	29	-1.0	-46.43	258.49	5.43	-41.00
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004573945	0	32	-1.0	-47.21	284.67	5.78	-41.43
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004573945	1	32	-1.0	-47.12	284.82	5.76	-41.36
CN(C(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NN=N[N-]1	REAL250004573946	0	32	-1.0	-56.50	280.61	7.99	-48.51
CN(C(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=N[N-]N=N1	REAL250004573946	1	32	-1.0	-56.39	280.75	8.00	-48.39
CN(C(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004573947	0	31	-1.0	-53.19	267.24	4.04	-49.15
CN(C(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004573947	1	31	-1.0	-53.27	267.10	4.07	-49.20
CC(C)C1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573948	0	36	-1.0	-51.02	299.00	7.76	-43.26
CC(C)C1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573948	1	36	-1.0	-51.11	298.86	7.78	-43.33
COC1=CC=C(F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573949	0	27	-1.0	-50.36	239.69	4.86	-45.50
COC1=CC=C(F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573949	1	27	-1.0	-50.25	239.83	4.85	-45.40
CN(C(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004573950	0	35	-1.0	-48.32	306.45	5.25	-43.07
CN(C(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004573950	1	35	-1.0	-48.39	306.32	5.29	-43.10
CC(C)C1CCC(C)CC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573951	0	45	-1.0	-50.92	339.93	8.42	-42.50
CC(C)C1CCC(C)CC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573951	1	45	-1.0	-51.01	339.80	8.45	-42.56
CN(C(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL250004573952	0	31	-1.0	-53.87	276.53	6.55	-47.32
CN(C(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL250004573952	1	31	-1.0	-53.97	276.40	6.57	-47.40
CN(C(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573953	0	33	-1.0	-57.55	289.31	6.68	-50.87
CN(C(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573953	1	33	-1.0	-57.48	289.45	6.66	-50.82
CN(C(=O)C1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL250004573954	0	27	-1.0	-46.95	251.93	6.16	-40.79
CN(C(=O)C1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL250004573954	1	27	-1.0	-47.03	251.71	6.16	-40.87
CN(C(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004573955	0	33	-1.0	-47.59	290.33	5.81	-41.78
CN(C(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004573955	1	33	-1.0	-47.66	290.19	5.85	-41.81
CC1=NN2C(=C1)N=CC(C(=O)N(C)C1=NN=N[N-]1)=C2C	REAL250004573956	0	31	-1.0	-43.03	272.67	5.07	-37.96
CC1=NN2C(=C1)N=CC(C(=O)N(C)C1=N[N-]N=N1)=C2C	REAL250004573956	1	31	-1.0	-42.97	272.82	5.05	-37.92
CCC(C)C1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004573957	0	39	-1.0	-51.24	315.84	8.47	-42.77
CCC(C)C1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004573957	1	39	-1.0	-51.30	315.71	8.50	-42.80
CN(C(=O)CCNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004573958	0	36	-1.0	-58.09	310.96	5.09	-53.00
CN(C(=O)CCNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004573958	1	36	-1.0	-58.16	310.83	5.13	-53.03
CN(C(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004573959	0	33	-1.0	-53.51	288.56	7.20	-46.31
CN(C(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004573959	1	33	-1.0	-53.40	288.70	7.16	-46.24
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004573960	0	35	-1.0	-54.67	307.54	5.18	-49.49
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004573960	1	35	-1.0	-54.54	307.68	5.14	-49.40
CC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)SC2=C1	REAL250004573961	0	31	-1.0	-46.24	273.57	7.45	-38.79
CC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)SC2=C1	REAL250004573961	1	31	-1.0	-46.34	273.43	7.48	-38.86
CN(C(=O)C=CC1=CC=CC2=CC=CN=C12)C1=NN=N[N-]1	REAL250004573962	0	32	-1.0	-57.36	279.59	7.02	-50.34
CN(C(=O)C=CC1=CC=CC2=CC=CN=C12)C1=N[N-]N=N1	REAL250004573962	1	32	-1.0	-57.32	279.74	7.01	-50.31
CC1=NN(C)C2=NC(C)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004573963	0	34	-1.0	-46.57	286.65	5.19	-41.38
CC1=NN(C)C2=NC(C)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004573963	1	34	-1.0	-46.47	286.79	5.18	-41.29
CC1=NN(C)C2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004573964	0	31	-1.0	-46.58	269.28	4.70	-41.88
CC1=NN(C)C2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004573964	1	31	-1.0	-46.51	269.42	4.68	-41.83
CN(C(=O)C1CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004573965	0	28	-1.0	-46.47	252.12	6.79	-39.68
CN(C(=O)C1CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004573965	1	28	-1.0	-46.55	251.98	6.81	-39.74
CN(C(=O)C1CCCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004573966	0	34	-1.0	-53.24	274.31	2.66	-50.58
CN(C(=O)C1CCCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004573966	1	34	-1.0	-53.26	274.18	2.67	-50.59
CN(C(=O)C1=CC=CN=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004573967	0	29	-1.0	-57.67	257.68	5.68	-51.99
CN(C(=O)C1=CC=CN=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004573967	1	29	-1.0	-57.50	257.82	5.67	-51.83
CC1=NN(C)C(=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004573968	0	31	-1.0	-57.95	265.43	3.31	-54.64
CC1=NN(C)C(=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004573968	1	31	-1.0	-57.88	265.56	3.29	-54.59
CN(C(=O)CN1N=C2C=CC=CN2C1=O)C1=N[N-]N=N1	REAL250004573969	0	29	-1.0	-60.68	263.57	5.63	-55.05
CN(C(=O)CN1N=C2C=CC=CN2C1=O)C1=NN=N[N-]1	REAL250004573969	1	29	-1.0	-60.78	263.43	5.66	-55.12
CSC1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573970	0	30	-1.0	-47.47	262.06	6.62	-40.85
CSC1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573970	1	30	-1.0	-47.39	262.20	6.61	-40.78
CC1=CC=CC=C1OCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004573971	0	36	-1.0	-51.10	301.30	7.11	-43.99
CC1=CC=CC=C1OCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004573971	1	36	-1.0	-51.14	301.17	7.15	-43.99
CN(C(=O)CCCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004573972	0	33	-1.0	-50.73	287.64	6.43	-44.30
CN(C(=O)CCCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004573972	1	33	-1.0	-50.83	287.50	6.46	-44.37
CN(C(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL250004573973	0	41	-1.0	-47.04	295.53	4.54	-42.50
CN(C(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL250004573973	1	41	-1.0	-47.16	295.40	4.56	-42.60
CN(C(=O)C1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004573974	0	33	-1.0	-50.03	266.49	7.42	-42.61
CN(C(=O)C1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004573974	1	33	-1.0	-49.94	266.62	7.41	-42.53
CC(OC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004573975	0	30	-1.0	-34.34	256.93	6.58	-27.76
CC(OC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004573975	1	30	-1.0	-34.40	256.82	6.60	-27.80
CC1=NC(C(F)(F)F)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573976	0	28	-1.0	-43.11	258.84	4.85	-38.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573976	1	28	-1.0	-43.16	258.70	4.86	-38.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL250004573977	0	36	-1.0	-47.96	298.69	7.21	-40.75
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL250004573977	1	36	-1.0	-47.87	298.83	7.18	-40.69
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004573978	0	32	-1.0	-50.32	274.39	6.33	-43.99
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004573978	1	32	-1.0	-50.29	274.54	6.30	-43.99
CCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004573979	0	40	-1.0	-47.02	320.35	8.44	-38.58
CCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004573979	1	40	-1.0	-47.10	320.21	8.47	-38.63
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004573980	0	36	-1.0	-47.66	298.70	7.21	-40.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004573980	1	36	-1.0	-47.60	298.83	7.19	-40.41
CN(C(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NN=N[N-]1	REAL250004573981	0	31	-1.0	-49.19	283.51	3.46	-45.73
CN(C(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=N[N-]N=N1	REAL250004573981	1	31	-1.0	-49.09	283.64	3.43	-45.66
CN(C(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004573982	0	29	-1.0	-45.93	259.43	5.31	-40.62
CN(C(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004573982	1	29	-1.0	-45.83	259.57	5.28	-40.55
COCCN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004573983	0	34	-1.0	-49.13	286.23	2.88	-46.25
COCCN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004573983	1	34	-1.0	-49.23	286.11	2.91	-46.32
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL250004573984	0	29	-1.0	-49.93	269.95	5.60	-44.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL250004573984	1	29	-1.0	-49.85	270.09	5.56	-44.29
CC(C)C(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004573985	0	39	-1.0	-36.94	299.75	5.41	-31.53
CC(C)C(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004573985	1	39	-1.0	-37.00	299.60	5.41	-31.59
CC1=CC=CC(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573986	0	36	-1.0	-51.83	304.92	9.13	-42.70
CC1=CC=CC(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573986	1	36	-1.0	-51.80	305.04	9.12	-42.68
CN(C(=O)CN1N=C2CCCCCN2C1=O)C1=N[N-]N=N1	REAL250004573987	0	36	-1.0	-61.27	297.36	5.99	-55.28
CN(C(=O)CN1N=C2CCCCCN2C1=O)C1=NN=N[N-]1	REAL250004573987	1	36	-1.0	-61.29	297.22	6.01	-55.28
CN(C(=O)C1=CSC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL250004573988	0	26	-1.0	-50.22	251.90	4.77	-45.45
CN(C(=O)C1=CSC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL250004573988	1	26	-1.0	-50.14	252.05	4.75	-45.39
CC(OC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004573989	0	30	-1.0	-55.55	256.73	6.22	-49.33
CC(OC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004573989	1	30	-1.0	-55.66	256.59	6.24	-49.42
CN(C(=O)COC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004573990	0	27	-1.0	-48.15	261.36	6.41	-41.74
CN(C(=O)COC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004573990	1	27	-1.0	-48.21	261.23	6.44	-41.77
CNC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573991	0	34	-1.0	-52.54	295.33	4.77	-47.77
CNC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573991	1	34	-1.0	-52.60	295.18	4.78	-47.82
C=CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004573992	0	31	-1.0	-47.52	265.80	5.73	-41.79
C=CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004573992	1	31	-1.0	-47.48	265.94	5.72	-41.76
C=CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004573993	0	31	-1.0	-54.67	263.60	6.82	-47.85
C=CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004573993	1	31	-1.0	-54.59	263.74	6.82	-47.77
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004573994	0	36	-1.0	-46.86	298.13	6.82	-40.04
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004573994	1	36	-1.0	-46.91	298.00	6.84	-40.07
CN(C(=O)CCC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004573995	0	33	-1.0	-48.96	290.52	6.35	-42.61
CN(C(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004573995	1	33	-1.0	-49.05	290.39	6.39	-42.66
CC1=CC(C)=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004573996	0	36	-1.0	-46.76	302.55	6.93	-39.83
CC1=CC(C)=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004573996	1	36	-1.0	-46.83	302.41	6.96	-39.87
CN(C(=O)CN1N=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004573997	0	31	-1.0	-60.88	276.69	4.97	-55.91
CN(C(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004573997	1	31	-1.0	-60.92	276.55	4.99	-55.93
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL250004573998	0	30	-1.0	-46.20	270.66	7.34	-38.86
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL250004573998	1	30	-1.0	-46.30	270.52	7.37	-38.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=NC=CC(C)=C12	REAL250004573999	0	31	-1.0	-47.18	263.07	5.42	-41.76
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=NC=CC(C)=C12	REAL250004573999	1	31	-1.0	-47.05	263.21	5.41	-41.64
CN(C(=O)C1=CC(Cl)=C(Cl)N1C)C1=N[N-]N=N1	REAL250004574000	0	24	-1.0	-41.31	238.34	5.27	-36.04
CN(C(=O)C1=CC(Cl)=C(Cl)N1C)C1=NN=N[N-]1	REAL250004574000	1	24	-1.0	-41.38	238.19	5.25	-36.13
CN(C(=O)C1CCCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004574001	0	39	-1.0	-61.90	296.17	5.99	-55.91
CN(C(=O)C1CCCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004574001	1	39	-1.0	-62.03	296.03	6.02	-56.01
CN(C(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004574002	0	36	-1.0	-47.24	305.75	7.89	-39.35
CN(C(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004574002	1	36	-1.0	-47.31	305.61	7.92	-39.39
CN(C(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004574003	0	28	-1.0	-54.10	255.62	6.06	-48.04
CN(C(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004574003	1	28	-1.0	-54.03	255.77	6.04	-47.99
CN(C(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=N[N-]N=N1	REAL250004574004	0	42	-1.0	-49.12	330.71	9.19	-39.93
CN(C(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=NN=N[N-]1	REAL250004574004	1	42	-1.0	-49.14	330.58	9.22	-39.92
CC(C)CN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004574005	0	36	-1.0	-47.36	289.82	5.10	-42.26
CC(C)CN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004574005	1	36	-1.0	-47.46	289.70	5.13	-42.33
CN(C(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574006	0	29	-1.0	-57.42	266.99	6.52	-50.90
CN(C(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574006	1	29	-1.0	-57.48	266.86	6.55	-50.93
CN(C(=O)C1=COC(Br)=C1)C1=N[N-]N=N1	REAL250004574007	0	20	-1.0	-43.71	205.06	3.70	-40.01
CN(C(=O)C1=COC(Br)=C1)C1=NN=N[N-]1	REAL250004574007	1	20	-1.0	-43.82	204.91	3.71	-40.11
CN(C(=O)COC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574008	0	27	-1.0	-53.93	251.42	5.98	-47.95
CN(C(=O)COC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574008	1	27	-1.0	-54.04	251.28	6.01	-48.03
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004574009	0	36	-1.0	-46.78	301.21	7.02	-39.76
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004574009	1	36	-1.0	-46.83	301.08	7.05	-39.78
CC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004574010	0	30	-1.0	-53.15	266.53	6.68	-46.47
CC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004574010	1	30	-1.0	-53.22	266.39	6.71	-46.51
CN(C(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL250004574011	0	31	-1.0	-53.77	278.01	6.18	-47.59
CN(C(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL250004574011	1	31	-1.0	-53.69	278.15	6.15	-47.54
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1C	REAL250004574012	0	34	-1.0	-44.41	292.77	6.21	-38.20
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1C	REAL250004574012	1	34	-1.0	-44.48	292.64	6.23	-38.25
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004574013	0	36	-1.0	-48.13	298.11	7.21	-40.92
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004574013	1	36	-1.0	-48.08	298.29	7.18	-40.90
CN(C(=O)CCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004574014	0	30	-1.0	-45.41	266.14	5.66	-39.75
CN(C(=O)CCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004574014	1	30	-1.0	-45.48	266.01	5.70	-39.78
CN(C(=O)C1=CN(C)C(=O)NC1=O)C1=NN=N[N-]1	REAL250004574015	0	26	-1.0	-52.07	235.26	1.15	-50.92
CN(C(=O)C1=CN(C)C(=O)NC1=O)C1=N[N-]N=N1	REAL250004574015	1	26	-1.0	-51.95	235.39	1.14	-50.81
CN(C)C(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004574016	0	38	-1.0	-34.54	289.00	4.20	-30.34
CN(C)C(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004574016	1	38	-1.0	-34.53	288.86	4.20	-30.33
CN(C(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=NN=N[N-]1	REAL250004574017	0	34	-1.0	-49.29	278.26	5.03	-44.26
CN(C(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=N[N-]N=N1	REAL250004574017	1	34	-1.0	-49.21	278.40	5.04	-44.17
CN(C(=O)CSCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004574018	0	29	-1.0	-51.83	268.99	5.61	-46.22
CN(C(=O)CSCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004574018	1	29	-1.0	-51.73	269.12	5.58	-46.15
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574019	0	33	-1.0	-51.81	278.99	6.80	-45.01
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574019	1	33	-1.0	-51.87	278.86	6.82	-45.05
CN(C(=O)C1CC(=O)N(C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004574020	0	40	-1.0	-54.90	307.38	6.15	-48.75
CN(C(=O)C1CC(=O)N(C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004574020	1	40	-1.0	-54.99	307.24	6.17	-48.82
CN(C(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004574021	0	34	-1.0	-49.42	290.75	8.75	-40.67
CN(C(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004574021	1	34	-1.0	-49.45	290.61	8.79	-40.66
CN(C(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=NN=N[N-]1	REAL250004574022	0	28	-1.0	-48.08	260.04	6.81	-41.27
CN(C(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=N[N-]N=N1	REAL250004574022	1	28	-1.0	-47.98	260.19	6.80	-41.18
CC1=NC2=CC(F)=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574023	0	31	-1.0	-44.47	270.86	6.00	-38.47
CC1=NC2=CC(F)=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574023	1	31	-1.0	-44.38	270.98	5.99	-38.39
CN(C(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL250004574024	0	29	-1.0	-45.80	268.97	6.76	-39.04
CN(C(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL250004574024	1	29	-1.0	-45.76	269.11	6.74	-39.02
COC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004574025	0	30	-1.0	-47.22	262.95	5.09	-42.13
COC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004574025	1	30	-1.0	-47.13	263.09	5.08	-42.05
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL250004574026	0	30	-1.0	-49.48	270.00	6.84	-42.64
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL250004574026	1	30	-1.0	-49.38	270.15	6.83	-42.55
CC1=CC=CC(C)=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574027	0	36	-1.0	-46.77	301.49	7.14	-39.63
CC1=CC=CC(C)=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574027	1	36	-1.0	-46.86	301.35	7.17	-39.69
CN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004574028	0	30	-1.0	-50.78	271.55	4.23	-46.55
CN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004574028	1	30	-1.0	-50.85	271.43	4.25	-46.60
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004574029	0	36	-1.0	-47.61	299.09	7.48	-40.13
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004574029	1	36	-1.0	-47.59	299.23	7.48	-40.11
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004574030	0	35	-1.0	-46.70	298.14	6.91	-39.79
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004574030	1	35	-1.0	-46.60	298.28	6.89	-39.71
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004574031	0	35	-1.0	-50.02	294.74	7.13	-42.89
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004574031	1	35	-1.0	-49.97	294.88	7.10	-42.87
CCN1N=C(C(C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574032	0	35	-1.0	-43.61	284.20	5.48	-38.13
CCN1N=C(C(C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574032	1	35	-1.0	-43.57	284.38	5.46	-38.11
CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL250004574033	0	30	-1.0	-55.66	270.62	4.61	-51.05
CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL250004574033	1	30	-1.0	-55.75	270.48	4.63	-51.12
CN(C(=O)C1=CC=C(CN2C=CC=N2)O1)C1=NN=N[N-]1	REAL250004574034	0	30	-1.0	-49.38	270.75	5.25	-44.13
CN(C(=O)C1=CC=C(CN2C=CC=N2)O1)C1=N[N-]N=N1	REAL250004574034	1	30	-1.0	-49.28	270.90	5.22	-44.06
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1OC(F)F	REAL250004574035	0	33	-1.0	-47.85	280.31	5.90	-41.95
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL250004574035	1	33	-1.0	-47.87	280.17	5.90	-41.97
CN(C(=O)C1=CC=C(OC2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004574036	0	37	-1.0	-46.75	297.88	7.15	-39.60
CN(C(=O)C1=CC=C(OC2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004574036	1	37	-1.0	-46.86	297.74	7.18	-39.68
CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004574037	0	36	-1.0	-46.83	284.96	4.88	-41.95
CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004574037	1	36	-1.0	-46.96	284.84	4.91	-42.05
CN(C(=O)C1=CNC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004574038	0	29	-1.0	-61.31	255.94	4.96	-56.35
CN(C(=O)C1=CNC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004574038	1	29	-1.0	-61.23	256.08	4.96	-56.27
CC(=O)NC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574039	0	26	-1.0	-50.00	245.65	3.02	-46.98
CC(=O)NC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574039	1	26	-1.0	-49.90	245.80	3.01	-46.89
CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1=N[N-]N=N1	REAL250004574040	0	37	-1.0	-39.09	290.87	5.77	-33.32
CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1=NN=N[N-]1	REAL250004574040	1	37	-1.0	-39.11	290.70	5.79	-33.32
CC(C)C(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574041	0	36	-1.0	-54.31	297.89	5.27	-49.04
CC(C)C(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574041	1	36	-1.0	-54.36	297.75	5.28	-49.08
CC1=CC=C(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004574042	0	32	-1.0	-41.55	282.28	6.90	-34.65
CC1=CC=C(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004574042	1	32	-1.0	-41.47	282.42	6.88	-34.59
CN(C(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL250004574043	0	29	-1.0	-41.34	267.31	6.29	-35.05
CN(C(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL250004574043	1	29	-1.0	-41.26	267.45	6.28	-34.98
CC(C)C1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574044	0	33	-1.0	-45.70	285.14	3.43	-42.27
CC(C)C1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574044	1	33	-1.0	-45.76	285.00	3.47	-42.29
CN(C(=O)C1(C2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL250004574045	0	37	-1.0	-49.14	280.17	5.67	-43.47
CN(C(=O)C1(C2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL250004574045	1	37	-1.0	-49.23	280.03	5.68	-43.55
CN(C(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004574046	0	29	-1.0	-41.66	260.94	6.22	-35.44
CN(C(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004574046	1	29	-1.0	-41.61	261.08	6.21	-35.40
CN(C(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004574047	0	39	-1.0	-54.44	326.05	4.76	-49.68
CN(C(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004574047	1	39	-1.0	-54.48	325.92	4.80	-49.68
CC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574048	0	31	-1.0	-51.54	270.37	6.37	-45.17
CC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574048	1	31	-1.0	-51.62	270.24	6.39	-45.23
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004574049	0	30	-1.0	-50.21	263.59	6.77	-43.44
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004574049	1	30	-1.0	-50.15	263.74	6.76	-43.39
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NN=N[N-]1	REAL250004574050	0	30	-1.0	-54.57	267.14	6.90	-47.67
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=N[N-]N=N1	REAL250004574050	1	30	-1.0	-54.48	267.28	6.88	-47.60
CN(C(=O)C1CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004574051	0	31	-1.0	-52.99	269.90	6.47	-46.52
CN(C(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004574051	1	31	-1.0	-53.06	269.77	6.50	-46.56
CC1=CC=C(C2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)O1	REAL250004574052	0	29	-1.0	-50.33	273.82	5.59	-44.74
CC1=CC=C(C2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)O1	REAL250004574052	1	29	-1.0	-50.23	273.96	5.58	-44.65
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004574053	0	32	-1.0	-51.51	268.89	5.87	-45.64
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004574053	1	32	-1.0	-51.63	268.74	5.89	-45.74
CN(C(=O)C(F)(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574054	0	26	-1.0	-42.02	236.85	5.97	-36.05
CN(C(=O)C(F)(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574054	1	26	-1.0	-42.08	236.71	5.99	-36.09
CCC(CC)N1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004574055	0	39	-1.0	-46.97	309.29	6.51	-40.46
CCC(CC)N1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004574055	1	39	-1.0	-47.06	309.17	6.54	-40.52
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NN=N[N-]1	REAL250004574056	0	33	-1.0	-51.48	284.55	8.42	-43.06
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=N[N-]N=N1	REAL250004574056	1	33	-1.0	-51.41	284.69	8.40	-43.01
CN(C(=O)C1=CC=CN=C1N1CCCCC1)C1=N[N-]N=N1	REAL250004574057	0	37	-1.0	-50.95	297.87	5.96	-44.99
CN(C(=O)C1=CC=CN=C1N1CCCCC1)C1=NN=N[N-]1	REAL250004574057	1	37	-1.0	-51.06	297.73	5.99	-45.07
CN(C(=O)CCOCC1CCCO1)C1=N[N-]N=N1	REAL250004574058	0	34	-1.0	-47.05	282.45	3.47	-43.58
CN(C(=O)CCOCC1CCCO1)C1=NN=N[N-]1	REAL250004574058	1	34	-1.0	-47.16	282.32	3.51	-43.65
CN(C(=O)COCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574059	0	34	-1.0	-55.80	294.27	6.09	-49.71
CN(C(=O)COCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574059	1	34	-1.0	-55.91	294.13	6.11	-49.80
COC1=CC=CC(COCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574060	0	34	-1.0	-53.98	293.85	5.64	-48.34
COC1=CC=CC(COCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574060	1	34	-1.0	-54.07	293.71	5.66	-48.41
CN(C(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL250004574061	0	26	-1.0	-46.91	233.71	3.47	-43.44
CN(C(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL250004574061	1	26	-1.0	-46.85	233.85	3.46	-43.39
CC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004574062	0	32	-1.0	-45.55	280.82	5.98	-39.57
CC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004574062	1	32	-1.0	-45.43	280.96	5.96	-39.47
COCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574063	0	29	-1.0	-62.23	266.53	-0.03	-62.26
COCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574063	1	29	-1.0	-62.37	266.39	-0.01	-62.38
CN(C(=O)C=CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004574064	0	27	-1.0	-50.30	252.65	6.64	-43.66
CN(C(=O)C=CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004574064	1	27	-1.0	-50.39	252.50	6.64	-43.75
CN(C(=O)C1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004574065	0	30	-1.0	-59.99	258.18	6.57	-53.42
CN(C(=O)C1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004574065	1	30	-1.0	-59.86	258.33	6.55	-53.31
CN(C(=O)CCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574066	0	30	-1.0	-45.07	276.46	6.12	-38.95
CN(C(=O)CCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574066	1	30	-1.0	-45.17	276.33	6.15	-39.02
CN(C(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL250004574067	0	29	-1.0	-46.36	266.97	5.76	-40.60
CN(C(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL250004574067	1	29	-1.0	-46.27	267.12	5.74	-40.53
CN(C(=O)CCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004574068	0	32	-1.0	-56.59	278.10	4.23	-52.36
CN(C(=O)CCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004574068	1	32	-1.0	-56.69	277.96	4.26	-52.43
CN(C(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004574069	0	30	-1.0	-46.99	282.32	6.18	-40.81
CN(C(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004574069	1	30	-1.0	-47.09	282.18	6.20	-40.89
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004574070	0	29	-1.0	-45.75	272.86	4.51	-41.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004574070	1	29	-1.0	-45.66	273.01	4.48	-41.18
CN(C(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL250004574071	0	36	-1.0	-36.90	287.74	6.06	-30.84
CN(C(=O)C1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL250004574071	1	36	-1.0	-36.85	287.88	6.04	-30.81
CCC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004574072	0	33	-1.0	-49.46	294.26	7.65	-41.81
CCC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004574072	1	33	-1.0	-49.55	294.12	7.68	-41.87
CC(OC1=CC=C2CCCC2=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574073	0	37	-1.0	-34.44	296.08	8.27	-26.17
CC(OC1=CC=C2CCCC2=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574073	1	37	-1.0	-34.51	295.94	8.28	-26.23
COC1=CC=CC(COC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574074	0	37	-1.0	-54.44	310.09	6.16	-48.28
COC1=CC=CC(COC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574074	1	37	-1.0	-54.54	309.96	6.18	-48.36
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)C)=N1	REAL250004574075	0	31	-1.0	-44.34	268.48	4.68	-39.66
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)C)=N1	REAL250004574075	1	31	-1.0	-44.40	268.34	4.70	-39.70
CCCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574076	0	31	-1.0	-44.26	269.20	4.86	-39.40
CCCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574076	1	31	-1.0	-44.33	269.06	4.88	-39.45
CN(C(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL250004574077	0	33	-1.0	-67.06	275.97	3.65	-63.41
CN(C(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL250004574077	1	33	-1.0	-66.98	276.12	3.66	-63.32
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC1	REAL250004574078	0	35	-1.0	-53.04	292.10	6.35	-46.69
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)CC1	REAL250004574078	1	35	-1.0	-52.96	292.24	6.35	-46.61
CC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574079	0	32	-1.0	-44.34	271.14	3.39	-40.95
CC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574079	1	32	-1.0	-44.29	271.28	3.39	-40.90
CN(C(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NN=N[N-]1	REAL250004574080	0	31	-1.0	-63.46	270.17	2.32	-61.14
CN(C(=O)C1=CC=CC(OCC(N)=O)=C1)C1=N[N-]N=N1	REAL250004574080	1	31	-1.0	-63.42	270.31	2.32	-61.10
CC(C(=O)N(C)C1=N[N-]N=N1)N1C(=O)CCC1=O	REAL250004574081	0	29	-1.0	-42.98	242.73	4.50	-38.48
CC(C(=O)N(C)C1=NN=N[N-]1)N1C(=O)CCC1=O	REAL250004574081	1	29	-1.0	-43.00	242.59	4.52	-38.48
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL250004574082	0	31	-1.0	-50.79	271.00	6.07	-44.72
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL250004574082	1	31	-1.0	-50.74	271.14	6.06	-44.68
CC(C)CS(=O)(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004574083	0	34	-1.0	-49.99	291.71	3.02	-46.97
CC(C)CS(=O)(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004574083	1	34	-1.0	-50.06	291.57	3.05	-47.01
CN(C(=O)CSCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004574084	0	31	-1.0	-51.92	295.15	7.76	-44.16
CN(C(=O)CSCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004574084	1	31	-1.0	-52.05	295.01	7.79	-44.26
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC(F)F	REAL250004574085	0	31	-1.0	-53.62	271.55	4.42	-49.20
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC(F)F	REAL250004574085	1	31	-1.0	-53.68	271.41	4.43	-49.25
CN(C(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL250004574086	0	32	-1.0	-68.40	270.86	4.96	-63.44
CN(C(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL250004574086	1	32	-1.0	-68.30	271.00	4.96	-63.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004574087	0	35	-1.0	-47.72	272.70	4.95	-42.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004574087	1	35	-1.0	-47.66	272.84	4.92	-42.74
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL250004574088	0	33	-1.0	-48.72	283.23	6.71	-42.01
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL250004574088	1	33	-1.0	-48.61	283.37	6.72	-41.89
CN(C(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NN=N[N-]1	REAL250004574089	0	28	-1.0	-43.53	261.54	6.49	-37.04
CN(C(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=N[N-]N=N1	REAL250004574089	1	28	-1.0	-43.42	261.68	6.47	-36.95
CCC(OC1=CC=CC=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574090	0	36	-1.0	-50.18	285.96	7.44	-42.74
CCC(OC1=CC=CC=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574090	1	36	-1.0	-50.27	285.82	7.46	-42.81
CN(C(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004574091	0	33	-1.0	-52.77	288.09	7.21	-45.56
CN(C(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004574091	1	33	-1.0	-52.73	288.22	7.17	-45.56
COC1=CC=C2C(=C1)C=CN2CC(=O)N(C)C1=NN=N[N-]1	REAL250004574092	0	34	-1.0	-52.54	292.45	6.71	-45.83
COC1=CC=C2C(=C1)C=CN2CC(=O)N(C)C1=N[N-]N=N1	REAL250004574092	1	34	-1.0	-52.49	292.58	6.68	-45.81
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C(C)(C)C	REAL250004574093	0	35	-1.0	-50.89	279.85	5.61	-45.28
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C(C)(C)C	REAL250004574093	1	35	-1.0	-50.80	280.00	5.60	-45.20
CC(C)CS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574094	0	31	-1.0	-63.87	269.60	2.46	-61.41
CC(C)CS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574094	1	31	-1.0	-63.93	269.47	2.48	-61.45
CN(C(=O)CCS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL250004574095	0	35	-1.0	-49.54	296.88	3.36	-46.18
CN(C(=O)CCS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL250004574095	1	35	-1.0	-49.59	296.75	3.39	-46.20
CC(C)C1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574096	0	36	-1.0	-47.52	308.57	8.39	-39.13
CC(C)C1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574096	1	36	-1.0	-47.59	308.44	8.41	-39.18
CN(C(=O)C1=C(Br)C=CS1)C1=N[N-]N=N1	REAL250004574097	0	20	-1.0	-46.46	210.02	4.45	-42.01
CN(C(=O)C1=C(Br)C=CS1)C1=NN=N[N-]1	REAL250004574097	1	20	-1.0	-46.56	209.87	4.44	-42.12
CN(C(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574098	0	26	-1.0	-39.55	253.60	6.44	-33.11
CN(C(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574098	1	26	-1.0	-39.57	253.47	6.48	-33.09
CN(C(=O)CN1CCCCCCC1=O)C1=N[N-]N=N1	REAL250004574099	0	36	-1.0	-51.52	275.25	5.60	-45.92
CN(C(=O)CN1CCCCCCC1=O)C1=NN=N[N-]1	REAL250004574099	1	36	-1.0	-51.56	275.12	5.64	-45.92
CN(C(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004574100	0	32	-1.0	-49.35	276.06	5.80	-43.55
CN(C(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004574100	1	32	-1.0	-49.28	276.21	5.82	-43.46
CC1=NN(C(C)CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004574101	0	35	-1.0	-44.21	290.46	5.66	-38.55
CC1=NN(C(C)CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004574101	1	35	-1.0	-44.27	290.32	5.68	-38.59
CN(C(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004574102	0	32	-1.0	-57.96	283.53	5.79	-52.17
CN(C(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004574102	1	32	-1.0	-58.05	283.39	5.82	-52.23
CCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574103	0	43	-1.0	-46.97	341.84	9.22	-37.75
CCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574103	1	43	-1.0	-47.03	341.71	9.25	-37.78
COC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574104	0	29	-1.0	-54.12	257.78	5.57	-48.55
COC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574104	1	29	-1.0	-54.02	257.92	5.57	-48.45
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCCCC2)=C1	REAL250004574105	0	42	-1.0	-51.34	309.85	8.69	-42.65
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCCCC2)=C1	REAL250004574105	1	42	-1.0	-51.41	309.71	8.70	-42.71
C=CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574106	0	31	-1.0	-55.35	269.97	4.33	-51.02
C=CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574106	1	31	-1.0	-55.29	270.10	4.33	-50.96
CN(C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL250004574107	0	25	-1.0	-63.01	240.40	5.05	-57.96
CN(C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL250004574107	1	25	-1.0	-62.94	240.54	5.02	-57.92
CN(C(=O)CCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574108	0	32	-1.0	-49.21	289.49	8.08	-41.13
CN(C(=O)CCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574108	1	32	-1.0	-49.32	289.35	8.11	-41.21
COC1=CC=CC(SCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574109	0	31	-1.0	-50.30	277.88	5.77	-44.53
COC1=CC=CC(SCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574109	1	31	-1.0	-50.39	277.74	5.79	-44.60
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004574110	0	33	-1.0	-46.97	288.78	5.29	-41.68
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004574110	1	33	-1.0	-46.86	288.93	5.29	-41.57
CC(SCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574111	0	33	-1.0	-49.72	289.43	7.79	-41.93
CC(SCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574111	1	33	-1.0	-49.80	289.29	7.82	-41.98
CCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574112	0	33	-1.0	-50.67	274.94	5.93	-44.74
CCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574112	1	33	-1.0	-50.66	275.08	5.94	-44.72
CN(C(=O)CC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004574113	0	29	-1.0	-49.33	266.07	7.36	-41.97
CN(C(=O)CC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004574113	1	29	-1.0	-49.24	266.21	7.32	-41.92
CN(C(=O)C1=CSC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574114	0	22	-1.0	-48.26	221.60	4.74	-43.52
CN(C(=O)C1=CSC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574114	1	22	-1.0	-48.39	221.45	4.76	-43.63
CN(C(=O)C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004574115	0	32	-1.0	-48.81	263.49	6.17	-42.64
CN(C(=O)C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004574115	1	32	-1.0	-48.89	263.36	6.19	-42.70
CN(C(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004574116	0	39	-1.0	-50.69	310.63	7.08	-43.61
CN(C(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004574116	1	39	-1.0	-50.81	310.49	7.09	-43.72
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(Br)=C1	REAL250004574117	0	23	-1.0	-41.98	226.11	4.81	-37.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(Br)=C1	REAL250004574117	1	23	-1.0	-42.06	225.96	4.83	-37.23
CC(C)OC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574118	0	37	-1.0	-48.62	308.10	7.33	-41.29
CC(C)OC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574118	1	37	-1.0	-48.75	307.95	7.33	-41.42
CCCOC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574119	0	37	-1.0	-48.52	311.68	7.50	-41.02
CCCOC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574119	1	37	-1.0	-48.62	311.54	7.51	-41.11
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1Cl	REAL250004574120	0	29	-1.0	-51.41	268.77	4.86	-46.55
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1Cl	REAL250004574120	1	29	-1.0	-51.46	268.64	4.88	-46.58
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=CC1=O	REAL250004574121	0	33	-1.0	-48.91	287.82	4.54	-44.37
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=CC1=O	REAL250004574121	1	33	-1.0	-48.96	287.69	4.54	-44.42
CN(C(=O)CCC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004574122	0	26	-1.0	-44.92	258.53	6.48	-38.44
CN(C(=O)CCC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004574122	1	26	-1.0	-45.01	258.40	6.52	-38.49
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004574123	0	32	-1.0	-59.28	275.11	3.06	-56.22
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004574123	1	32	-1.0	-59.14	275.25	3.07	-56.07
CC(C)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574124	0	38	-1.0	-46.08	311.48	8.71	-37.37
CC(C)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574124	1	38	-1.0	-46.19	311.35	8.74	-37.45
CN(C(=O)CN1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004574125	0	31	-1.0	-54.16	263.99	-0.52	-54.68
CN(C(=O)CN1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004574125	1	31	-1.0	-54.28	263.85	-0.49	-54.77
CN(C(=O)CCN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004574126	0	31	-1.0	-57.49	273.48	1.30	-56.19
CN(C(=O)CCN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004574126	1	31	-1.0	-57.58	273.35	1.34	-56.24
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004574127	0	36	-1.0	-47.69	304.25	7.03	-40.66
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004574127	1	36	-1.0	-47.57	304.40	7.01	-40.56
CN(C(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004574128	0	34	-1.0	-44.71	288.06	4.99	-39.72
CN(C(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004574128	1	34	-1.0	-44.78	287.93	5.01	-39.77
COC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574129	0	34	-1.0	-53.20	293.85	5.64	-47.56
COC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574129	1	34	-1.0	-53.25	293.72	5.67	-47.58
CN(C(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL250004574130	0	29	-1.0	-52.50	274.02	4.51	-47.99
CN(C(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL250004574130	1	29	-1.0	-52.39	274.17	4.50	-47.89
CN(C(=O)CN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL250004574131	0	23	-1.0	-53.39	231.63	3.99	-49.40
CN(C(=O)CN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL250004574131	1	23	-1.0	-53.30	231.78	3.96	-49.34
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004574132	0	38	-1.0	-49.21	315.27	6.69	-42.52
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004574132	1	38	-1.0	-49.19	315.41	6.67	-42.52
CN(C(=O)C1=CN(C)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004574133	0	26	-1.0	-52.54	244.34	3.73	-48.81
CN(C(=O)C1=CN(C)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004574133	1	26	-1.0	-52.42	244.47	3.72	-48.70
CC1=CC(C)=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)=C1	REAL250004574134	0	39	-1.0	-49.64	306.14	8.43	-41.21
CC1=CC(C)=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)=C1	REAL250004574134	1	39	-1.0	-49.71	306.00	8.43	-41.28
CC1=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004574135	0	33	-1.0	-49.07	285.95	7.25	-41.82
CC1=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004574135	1	33	-1.0	-49.16	285.81	7.28	-41.88
CC1=CC(C)=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004574136	0	36	-1.0	-49.05	297.57	8.18	-40.87
CC1=CC(C)=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004574136	1	36	-1.0	-49.11	297.43	8.21	-40.90
CCC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574137	0	33	-1.0	-61.91	277.92	4.60	-57.31
CCC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574137	1	33	-1.0	-61.81	278.06	4.60	-57.21
CCC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574138	0	36	-1.0	-44.45	281.06	5.11	-39.34
CCC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574138	1	36	-1.0	-44.50	280.96	5.13	-39.37
CN(C(=O)CCCOCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574139	0	39	-1.0	-50.28	328.29	7.61	-42.67
CN(C(=O)CCCOCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574139	1	39	-1.0	-50.34	328.15	7.65	-42.69
CCC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574140	0	36	-1.0	-62.88	280.97	6.20	-56.68
CCC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574140	1	36	-1.0	-63.00	280.84	6.22	-56.78
CC1=CC=C(Cl)C(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574141	0	33	-1.0	-33.55	289.09	7.46	-26.09
CC1=CC=C(Cl)C(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574141	1	33	-1.0	-33.55	288.95	7.48	-26.07
CC(C)C1=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=CC=C1	REAL250004574142	0	39	-1.0	-34.26	310.73	8.43	-25.83
CC(C)C1=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=CC=C1	REAL250004574142	1	39	-1.0	-34.33	310.61	8.45	-25.88
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C12	REAL250004574143	0	31	-1.0	-49.75	263.49	6.89	-42.86
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C12	REAL250004574143	1	31	-1.0	-49.71	263.62	6.88	-42.83
CN(C(=O)COC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004574144	0	28	-1.0	-54.48	259.63	6.24	-48.24
CN(C(=O)COC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004574144	1	28	-1.0	-54.58	259.49	6.27	-48.31
COC1=CC=C2OC(C)=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004574145	0	33	-1.0	-51.44	288.71	5.65	-45.79
COC1=CC=C2OC(C)=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004574145	1	33	-1.0	-51.37	288.85	5.64	-45.73
CN(C(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NN=N[N-]1	REAL250004574146	0	29	-1.0	-50.49	256.45	3.30	-47.19
CN(C(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=N[N-]N=N1	REAL250004574146	1	29	-1.0	-50.39	256.59	3.31	-47.08
CC1=NN2C=CC=NC2=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574147	0	28	-1.0	-57.21	253.62	4.68	-52.53
CC1=NN2C=CC=NC2=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574147	1	28	-1.0	-57.22	253.76	4.67	-52.55
CC(C)SC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574148	0	33	-1.0	-46.67	279.72	7.30	-39.37
CC(C)SC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574148	1	33	-1.0	-46.60	279.94	7.30	-39.30
CN(C(=O)CSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004574149	0	29	-1.0	-52.43	269.28	5.52	-46.91
CN(C(=O)CSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004574149	1	29	-1.0	-52.51	269.14	5.55	-46.96
COC1=CC=C(Cl)C=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004574150	0	31	-1.0	-50.01	284.00	6.36	-43.65
COC1=CC=C(Cl)C=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004574150	1	31	-1.0	-50.07	283.85	6.36	-43.71
CC(SC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004574151	0	30	-1.0	-49.84	276.66	7.26	-42.58
CC(SC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004574151	1	30	-1.0	-49.88	276.53	7.29	-42.59
COC1=CC=C(SC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574152	0	34	-1.0	-47.66	293.41	6.11	-41.55
COC1=CC=C(SC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574152	1	34	-1.0	-47.73	293.27	6.13	-41.60
CN(C(=O)CCCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574153	0	33	-1.0	-50.27	297.96	6.88	-43.39
CN(C(=O)CCCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574153	1	33	-1.0	-50.39	297.82	6.92	-43.47
CN(C(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574154	0	32	-1.0	-49.04	285.75	7.03	-42.01
CN(C(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574154	1	32	-1.0	-49.12	285.62	7.07	-42.05
CN(C(=O)CC1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004574155	0	35	-1.0	-46.10	287.08	7.16	-38.94
CN(C(=O)CC1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004574155	1	35	-1.0	-46.21	286.95	7.18	-39.03
CC(C)CC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004574156	0	41	-1.0	-42.48	313.15	4.75	-37.73
CC(C)CC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004574156	1	41	-1.0	-42.56	313.02	4.77	-37.79
CC1=CC(Br)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574157	0	26	-1.0	-43.61	243.58	6.22	-37.39
CC1=CC(Br)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574157	1	26	-1.0	-43.64	243.44	6.23	-37.41
CN(C(=O)C1=CC(C(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL250004574158	0	35	-1.0	-43.79	282.29	5.21	-38.58
CN(C(=O)C1=CC(C(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL250004574158	1	35	-1.0	-43.69	282.44	5.21	-38.48
COC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574159	0	31	-1.0	-53.83	268.27	5.15	-48.68
COC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574159	1	31	-1.0	-53.92	268.14	5.17	-48.75
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004574160	0	31	-1.0	-47.54	271.49	5.36	-42.18
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004574160	1	31	-1.0	-47.46	271.61	5.36	-42.10
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL250004574161	0	26	-1.0	-31.75	240.22	4.39	-27.36
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL250004574161	1	26	-1.0	-31.70	240.35	4.37	-27.33
CN(C(=O)CSC1=NN=CS1)C1=NN=N[N-]1	REAL250004574162	0	22	-1.0	-46.02	231.43	2.79	-43.23
CN(C(=O)CSC1=NN=CS1)C1=N[N-]N=N1	REAL250004574162	1	22	-1.0	-45.95	231.56	2.76	-43.19
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL250004574163	0	35	-1.0	-45.82	297.30	6.47	-39.35
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL250004574163	1	35	-1.0	-45.79	297.45	6.42	-39.37
CN(C(=O)CCN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004574164	0	26	-1.0	-44.29	249.19	4.48	-39.81
CN(C(=O)CCN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004574164	1	26	-1.0	-44.24	249.32	4.44	-39.80
CN(C(=O)C1=NOC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004574165	0	31	-1.0	-41.02	270.95	5.92	-35.10
CN(C(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004574165	1	31	-1.0	-41.09	270.81	5.93	-35.16
CC(C)OC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004574166	0	32	-1.0	-43.08	287.21	3.94	-39.14
CC(C)OC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004574166	1	32	-1.0	-43.01	287.35	3.94	-39.07
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574167	0	32	-1.0	-48.71	269.51	7.37	-41.34
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574167	1	32	-1.0	-48.83	269.38	7.39	-41.44
CN(C(=O)CCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004574168	0	35	-1.0	-47.51	297.38	9.04	-38.47
CN(C(=O)CCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004574168	1	35	-1.0	-47.60	297.24	9.06	-38.54
CC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574169	0	33	-1.0	-62.32	258.52	5.45	-56.87
CC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574169	1	33	-1.0	-62.37	258.39	5.46	-56.91
CN(C(=O)C1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574170	0	28	-1.0	-51.55	243.05	5.39	-46.16
CN(C(=O)C1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574170	1	28	-1.0	-51.46	243.19	5.37	-46.09
CN(C(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004574171	0	28	-1.0	-55.19	257.36	6.14	-49.05
CN(C(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004574171	1	28	-1.0	-55.10	257.51	6.13	-48.97
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL250004574172	0	35	-1.0	-45.60	295.76	6.44	-39.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL250004574172	1	35	-1.0	-45.50	295.90	6.42	-39.08
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004574173	0	32	-1.0	-46.02	274.31	5.76	-40.26
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004574173	1	32	-1.0	-45.93	274.45	5.74	-40.19
CC(C)C(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574174	0	39	-1.0	-63.77	297.49	6.55	-57.22
CC(C)C(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574174	1	39	-1.0	-63.84	297.35	6.56	-57.28
CC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574175	0	37	-1.0	-46.03	309.84	7.81	-38.22
CC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574175	1	37	-1.0	-46.09	309.71	7.84	-38.25
CN(C(=O)C1=CC(F)=CC2=NC=CN=C12)C1=NN=N[N-]1	REAL250004574176	0	27	-1.0	-50.93	242.01	3.76	-47.17
CN(C(=O)C1=CC(F)=CC2=NC=CN=C12)C1=N[N-]N=N1	REAL250004574176	1	27	-1.0	-50.90	242.15	3.76	-47.14
CCC1=NOC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004574177	0	30	-1.0	-42.45	261.56	2.99	-39.46
CCC1=NOC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004574177	1	30	-1.0	-42.34	261.71	3.00	-39.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL250004574178	0	29	-1.0	-44.38	260.01	6.91	-37.47
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL250004574178	1	29	-1.0	-44.28	260.16	6.91	-37.37
CN(C(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574179	0	34	-1.0	-58.49	298.37	4.14	-54.35
CN(C(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574179	1	34	-1.0	-58.39	298.51	4.11	-54.28
CN(C(=O)CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004574180	0	29	-1.0	-51.34	255.93	4.63	-46.71
CN(C(=O)CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004574180	1	29	-1.0	-51.45	255.80	4.66	-46.79
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004574181	0	29	-1.0	-48.03	259.77	6.12	-41.91
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004574181	1	29	-1.0	-47.93	259.91	6.13	-41.80
COC1=CC=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574182	0	33	-1.0	-48.35	270.36	5.51	-42.84
COC1=CC=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574182	1	33	-1.0	-48.44	270.22	5.54	-42.90
CCSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574183	0	33	-1.0	-48.79	289.21	7.67	-41.12
CCSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574183	1	33	-1.0	-48.76	289.35	7.67	-41.09
COC(=O)COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574184	0	33	-1.0	-58.82	287.21	5.82	-53.00
COC(=O)COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574184	1	33	-1.0	-58.87	287.07	5.81	-53.06
CSC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004574185	0	30	-1.0	-54.77	273.12	7.45	-47.32
CSC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004574185	1	30	-1.0	-54.67	273.27	7.43	-47.24
CN(C(=O)CCNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL250004574186	0	30	-1.0	-51.64	282.93	2.08	-49.56
CN(C(=O)CCNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL250004574186	1	30	-1.0	-51.67	282.80	2.11	-49.56
COC1=CC=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574187	0	27	-1.0	-53.92	254.04	4.90	-49.02
COC1=CC=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574187	1	27	-1.0	-53.83	254.18	4.89	-48.94
COC(=O)COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574188	0	33	-1.0	-53.33	287.55	5.83	-47.50
COC(=O)COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574188	1	33	-1.0	-53.42	287.40	5.83	-47.59
CN(C(=O)C1=CC2=C(C=CS2)S1)C1=NN=N[N-]1	REAL250004574189	0	23	-1.0	-45.94	229.38	5.31	-40.63
CN(C(=O)C1=CC2=C(C=CS2)S1)C1=N[N-]N=N1	REAL250004574189	1	23	-1.0	-45.85	229.53	5.31	-40.54
CN(C(=O)CCCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004574190	0	33	-1.0	-55.12	287.46	6.45	-48.67
CN(C(=O)CCCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004574190	1	33	-1.0	-55.24	287.32	6.47	-48.77
CN(C(=O)CCSC1=NN=NN1C)C1=NN=N[N-]1	REAL250004574191	0	28	-1.0	-55.87	264.62	3.40	-52.47
CN(C(=O)CCSC1=NN=NN1C)C1=N[N-]N=N1	REAL250004574191	1	28	-1.0	-55.82	264.76	3.37	-52.45
CN(C(=O)CCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574192	0	33	-1.0	-45.97	285.29	6.07	-39.90
CN(C(=O)CCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574192	1	33	-1.0	-46.00	285.16	6.10	-39.90
CCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574193	0	33	-1.0	-50.54	293.36	7.03	-43.51
CCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574193	1	33	-1.0	-50.48	293.50	7.02	-43.46
C=CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574194	0	34	-1.0	-51.09	295.96	4.44	-46.65
C=CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574194	1	34	-1.0	-50.98	296.10	4.45	-46.53
CN(C(=O)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574195	0	30	-1.0	-51.59	262.90	7.41	-44.18
CN(C(=O)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574195	1	30	-1.0	-51.50	263.03	7.39	-44.11
CN(C(=O)CCCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004574196	0	33	-1.0	-52.49	287.65	6.43	-46.06
CN(C(=O)CCCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004574196	1	33	-1.0	-52.57	287.51	6.46	-46.11
CN(C(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL250004574197	0	29	-1.0	-58.07	266.87	2.49	-55.58
CN(C(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL250004574197	1	29	-1.0	-58.09	266.73	2.49	-55.60
CCN1C(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004574198	0	33	-1.0	-46.68	273.07	7.44	-39.24
CCN1C(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004574198	1	33	-1.0	-46.57	273.22	7.41	-39.16
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004574199	0	29	-1.0	-44.96	254.81	6.49	-38.47
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004574199	1	29	-1.0	-44.90	254.95	6.48	-38.42
CCCC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574200	0	39	-1.0	-63.14	302.47	6.96	-56.18
CCCC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574200	1	39	-1.0	-63.27	302.34	6.98	-56.29
CN(C(=O)C1=CC2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004574201	0	30	-1.0	-46.68	251.22	6.50	-40.18
CN(C(=O)C1=CC2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004574201	1	30	-1.0	-46.64	251.36	6.49	-40.15
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL250004574202	0	37	-1.0	-47.30	314.07	8.08	-39.22
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL250004574202	1	37	-1.0	-47.38	313.94	8.11	-39.27
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004574203	0	32	-1.0	-45.73	271.10	7.26	-38.47
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004574203	1	32	-1.0	-45.85	270.96	7.28	-38.57
CCCC(=O)N1CCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574204	0	36	-1.0	-60.54	287.17	6.08	-54.46
CCCC(=O)N1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574204	1	36	-1.0	-60.64	287.03	6.08	-54.56
CN(C(=O)C1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004574205	0	31	-1.0	-45.79	268.67	4.63	-41.16
CN(C(=O)C1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004574205	1	31	-1.0	-45.68	268.82	4.61	-41.07
COC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574206	0	29	-1.0	-58.56	261.05	5.79	-52.77
COC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574206	1	29	-1.0	-58.47	261.18	5.79	-52.68
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=NN=N[N-]1	REAL250004574207	0	30	-1.0	-52.27	270.00	6.84	-45.43
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=N[N-]N=N1	REAL250004574207	1	30	-1.0	-52.19	270.15	6.83	-45.36
COC1=CC=C(N2C=CC(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL250004574208	0	34	-1.0	-50.32	293.07	6.07	-44.25
COC1=CC=C(N2C=CC(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL250004574208	1	34	-1.0	-50.26	293.21	6.06	-44.20
CC1=CC=CC(OCCCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574209	0	39	-1.0	-48.86	324.14	7.83	-41.03
CC1=CC=CC(OCCCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574209	1	39	-1.0	-48.93	324.00	7.85	-41.08
CC(OC1=CC=CC(C#N)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574210	0	31	-1.0	-31.59	271.35	6.91	-24.68
CC(OC1=CC=CC(C#N)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574210	1	31	-1.0	-31.59	271.23	6.92	-24.67
CN(C(=O)C1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004574211	0	28	-1.0	-49.04	244.26	5.29	-43.75
CN(C(=O)C1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004574211	1	28	-1.0	-48.95	244.40	5.30	-43.65
CN(C(=O)C1=CC=CC=C1OCC#N)C1=NN=N[N-]1	REAL250004574212	0	28	-1.0	-61.14	250.05	6.01	-55.13
CN(C(=O)C1=CC=CC=C1OCC#N)C1=N[N-]N=N1	REAL250004574212	1	28	-1.0	-61.07	250.19	6.01	-55.06
CN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004574213	0	42	-1.0	-54.79	311.33	5.47	-49.32
CN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004574213	1	42	-1.0	-54.90	311.19	5.50	-49.40
CCOC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574214	0	29	-1.0	-46.34	263.45	4.54	-41.80
CCOC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574214	1	29	-1.0	-46.30	263.58	4.53	-41.77
C=CCOC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574215	0	30	-1.0	-46.33	276.35	5.11	-41.22
C=CCOC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574215	1	30	-1.0	-46.26	276.49	5.10	-41.16
CN(C(=O)C1=CC=C(OCC2CC2)C=C1)C1=NN=N[N-]1	REAL250004574216	0	34	-1.0	-47.51	285.06	6.74	-40.77
CN(C(=O)C1=CC=C(OCC2CC2)C=C1)C1=N[N-]N=N1	REAL250004574216	1	34	-1.0	-47.38	285.21	6.73	-40.65
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL250004574217	0	35	-1.0	-45.95	288.11	7.60	-38.35
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL250004574217	1	35	-1.0	-45.82	288.25	7.60	-38.22
CCCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574218	0	46	-1.0	-46.86	363.34	10.00	-36.86
CCCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574218	1	46	-1.0	-46.97	363.21	10.03	-36.94
COCCOC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574219	0	33	-1.0	-56.53	286.30	2.49	-54.04
COCCOC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574219	1	33	-1.0	-56.43	286.44	2.48	-53.95
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC#N	REAL250004574220	0	30	-1.0	-50.23	265.83	4.52	-45.71
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC#N	REAL250004574220	1	30	-1.0	-50.28	265.68	4.53	-45.75
CN(C(=O)C1=CC=C(Cl)N=C1Cl)C1=NN=N[N-]1	REAL250004574221	0	22	-1.0	-46.07	231.02	4.03	-42.04
CN(C(=O)C1=CC=C(Cl)N=C1Cl)C1=N[N-]N=N1	REAL250004574221	1	22	-1.0	-46.03	231.15	4.02	-42.01
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574222	0	33	-1.0	-50.95	278.15	6.72	-44.23
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574222	1	33	-1.0	-50.88	278.28	6.70	-44.18
CN(C(=O)C1=CC=C2NC(=O)OC2=C1)C1=NN=N[N-]1	REAL250004574223	0	26	-1.0	-51.47	233.86	2.42	-49.05
CN(C(=O)C1=CC=C2NC(=O)OC2=C1)C1=N[N-]N=N1	REAL250004574223	1	26	-1.0	-51.38	234.00	2.43	-48.95
CC(C)OC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574224	0	33	-1.0	-50.50	288.97	7.10	-43.40
CC(C)OC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574224	1	33	-1.0	-50.45	289.12	7.09	-43.36
CCC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574225	0	28	-1.0	-53.02	256.78	4.60	-48.42
CCC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574225	1	28	-1.0	-53.06	256.65	4.63	-48.43
CC(=O)NC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574226	0	30	-1.0	-53.23	262.29	3.85	-49.38
CC(=O)NC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574226	1	30	-1.0	-53.14	262.42	3.84	-49.30
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004574227	0	30	-1.0	-56.06	263.58	3.93	-52.13
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004574227	1	30	-1.0	-55.92	263.73	3.93	-51.99
COCCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574228	0	34	-1.0	-57.52	284.32	5.49	-52.03
COCCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574228	1	34	-1.0	-57.43	284.46	5.48	-51.95
COCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574229	0	34	-1.0	-53.96	287.06	4.40	-49.56
COCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574229	1	34	-1.0	-53.88	287.20	4.41	-49.47
CCSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004574230	0	29	-1.0	-46.76	262.77	5.21	-41.55
CCSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004574230	1	29	-1.0	-46.70	262.91	5.19	-41.51
CN(C(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004574231	0	33	-1.0	-56.35	292.74	4.48	-51.87
CN(C(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004574231	1	33	-1.0	-56.42	292.61	4.51	-51.91
CCOC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574232	0	36	-1.0	-47.13	302.62	7.01	-40.12
CCOC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574232	1	36	-1.0	-47.25	302.48	7.03	-40.22
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004574233	0	33	-1.0	-50.84	275.22	7.53	-43.31
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004574233	1	33	-1.0	-50.75	275.36	7.50	-43.25
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL250004574234	0	32	-1.0	-45.73	272.56	7.17	-38.56
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL250004574234	1	32	-1.0	-45.70	272.70	7.16	-38.54
CN(C(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004574235	0	30	-1.0	-51.11	279.73	7.90	-43.21
CN(C(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004574235	1	30	-1.0	-51.18	279.60	7.92	-43.26
CN(C(=O)CCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004574236	0	29	-1.0	-46.85	263.12	6.87	-39.98
CN(C(=O)CCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004574236	1	29	-1.0	-46.89	262.99	6.90	-39.99
CC1=C(C)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)S1	REAL250004574237	0	29	-1.0	-53.48	261.89	4.65	-48.83
CC1=C(C)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)S1	REAL250004574237	1	29	-1.0	-53.60	261.76	4.68	-48.92
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004574238	0	26	-1.0	-46.93	240.24	4.29	-42.64
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004574238	1	26	-1.0	-46.82	240.38	4.29	-42.53
CC(C)OC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574239	0	32	-1.0	-47.68	295.02	3.99	-43.69
CC(C)OC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574239	1	32	-1.0	-47.61	295.16	3.98	-43.63
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004574240	0	26	-1.0	-39.63	243.28	5.99	-33.64
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004574240	1	26	-1.0	-39.70	243.14	6.03	-33.67
COC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004574241	0	32	-1.0	-48.69	274.00	5.43	-43.26
COC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004574241	1	32	-1.0	-48.60	274.15	5.41	-43.19
COCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574242	0	26	-1.0	-48.74	245.49	2.62	-46.12
COCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574242	1	26	-1.0	-48.79	245.35	2.63	-46.16
CN(C(=O)C(C1=CC=CC=C1)N1C=CC=N1)C1=NN=N[N-]1	REAL250004574243	0	33	-1.0	-44.02	282.06	6.92	-37.10
CN(C(=O)C(C1=CC=CC=C1)N1C=CC=N1)C1=N[N-]N=N1	REAL250004574243	1	33	-1.0	-44.00	282.19	6.90	-37.10
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004574244	0	28	-1.0	-49.41	252.59	6.25	-43.16
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004574244	1	28	-1.0	-49.34	252.73	6.27	-43.07
CCCCN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574245	0	40	-1.0	-49.30	317.73	7.80	-41.50
CCCCN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574245	1	40	-1.0	-49.19	317.87	7.79	-41.40
CCCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574246	0	40	-1.0	-49.27	318.53	7.96	-41.31
CCCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574246	1	40	-1.0	-49.17	318.67	7.96	-41.21
CN(C(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL250004574247	0	28	-1.0	-52.87	264.91	4.88	-47.99
CN(C(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL250004574247	1	28	-1.0	-52.75	265.05	4.86	-47.89
CN(C(=O)CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004574248	0	29	-1.0	-52.93	257.61	6.53	-46.40
CN(C(=O)CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004574248	1	29	-1.0	-52.83	257.74	6.50	-46.33
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004574249	0	35	-1.0	-58.35	301.09	6.19	-52.16
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004574249	1	35	-1.0	-58.37	300.95	6.22	-52.15
CC1=NN(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004574250	0	33	-1.0	-58.91	283.31	6.70	-52.21
CC1=NN(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004574250	1	33	-1.0	-58.82	283.45	6.71	-52.11
CN(C(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004574251	0	31	-1.0	-44.49	270.89	6.13	-38.36
CN(C(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004574251	1	31	-1.0	-44.43	271.03	6.14	-38.29
CN(C(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004574252	0	33	-1.0	-48.93	287.12	6.02	-42.91
CN(C(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004574252	1	33	-1.0	-48.84	287.26	6.02	-42.82
CN(C(=O)CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004574253	0	33	-1.0	-52.80	284.08	7.78	-45.02
CN(C(=O)CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004574253	1	33	-1.0	-52.69	284.21	7.74	-44.95
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574254	0	33	-1.0	-51.81	278.99	6.80	-45.01
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574254	1	33	-1.0	-51.87	278.86	6.82	-45.05
CCS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574255	0	32	-1.0	-51.78	283.89	3.34	-48.44
CCS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574255	1	32	-1.0	-51.87	283.74	3.33	-48.54
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004574256	0	40	-1.0	-58.40	316.31	5.47	-52.93
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004574256	1	40	-1.0	-58.51	316.18	5.50	-53.01
CN(C(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL250004574257	0	30	-1.0	-50.36	264.75	6.27	-44.09
CN(C(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL250004574257	1	30	-1.0	-50.29	264.89	6.25	-44.04
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004574258	0	30	-1.0	-45.17	265.22	7.35	-37.82
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004574258	1	30	-1.0	-45.05	265.36	7.35	-37.70
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004574259	0	26	-1.0	-45.29	247.40	5.97	-39.32
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004574259	1	26	-1.0	-45.41	247.27	5.97	-39.44
CN(C(=O)CC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574260	0	35	-1.0	-45.54	275.25	7.53	-38.01
CN(C(=O)CC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574260	1	35	-1.0	-45.63	275.12	7.56	-38.07
CN(C(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574261	0	31	-1.0	-54.19	270.81	7.15	-47.04
CN(C(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574261	1	31	-1.0	-54.27	270.67	7.18	-47.09
CC1=NN(C(F)F)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574262	0	32	-1.0	-50.93	283.83	4.88	-46.05
CC1=NN(C(F)F)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574262	1	32	-1.0	-51.03	283.70	4.92	-46.11
CN(C(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004574263	0	28	-1.0	-46.26	262.30	4.69	-41.57
CN(C(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004574263	1	28	-1.0	-46.17	262.43	4.65	-41.52
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004574264	0	31	-1.0	-49.70	281.98	6.97	-42.73
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004574264	1	31	-1.0	-49.76	281.84	7.01	-42.75
CCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574265	0	36	-1.0	-47.38	294.30	6.55	-40.83
CCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574265	1	36	-1.0	-47.53	294.16	6.56	-40.97
CN(C)C(=O)CN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004574266	0	32	-1.0	-56.66	279.99	2.38	-54.28
CN(C)C(=O)CN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004574266	1	32	-1.0	-56.55	280.13	2.36	-54.19
CN(C(=O)COC1=CC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004574267	0	28	-1.0	-54.30	275.61	6.78	-47.52
CN(C(=O)COC1=CC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004574267	1	28	-1.0	-54.37	275.47	6.80	-47.57
CC(OCC1CCCO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574268	0	34	-1.0	-55.45	276.18	4.22	-51.23
CC(OCC1CCCO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574268	1	34	-1.0	-55.50	276.05	4.25	-51.25
CN(C(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574269	0	26	-1.0	-41.11	253.62	6.43	-34.68
CN(C(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574269	1	26	-1.0	-41.13	253.49	6.47	-34.66
CC(C)OC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574270	0	36	-1.0	-49.92	299.15	6.81	-43.11
CC(C)OC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574270	1	36	-1.0	-49.99	299.02	6.85	-43.14
CN(C(=O)COCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574271	0	33	-1.0	-50.16	285.84	7.12	-43.04
CN(C(=O)COCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574271	1	33	-1.0	-50.27	285.70	7.15	-43.12
CC(C)CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574272	0	31	-1.0	-47.55	271.18	5.62	-41.93
CC(C)CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574272	1	31	-1.0	-47.68	271.03	5.65	-42.03
CC1=CC=C(CCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574273	0	38	-1.0	-47.81	315.67	9.01	-38.80
CC1=CC=C(CCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574273	1	38	-1.0	-47.89	315.53	9.05	-38.84
CN(C(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574274	0	29	-1.0	-56.41	271.03	7.12	-49.29
CN(C(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574274	1	29	-1.0	-56.48	270.88	7.11	-49.37
COC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)COC2=C1	REAL250004574275	0	35	-1.0	-45.11	284.48	4.83	-40.28
COC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)COC2=C1	REAL250004574275	1	35	-1.0	-45.18	284.34	4.86	-40.32
CN(C(=O)C1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004574276	0	26	-1.0	-47.80	241.28	5.13	-42.67
CN(C(=O)C1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004574276	1	26	-1.0	-47.85	241.13	5.16	-42.69
CN(C(=O)CCCOC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574277	0	33	-1.0	-53.84	293.87	6.50	-47.34
CN(C(=O)CCCOC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574277	1	33	-1.0	-53.93	293.74	6.53	-47.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL250004574278	0	34	-1.0	-44.53	286.31	5.16	-39.37
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL250004574278	1	34	-1.0	-44.62	286.16	5.18	-39.44
CC1=CN(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL250004574279	0	33	-1.0	-51.80	284.81	8.09	-43.71
CC1=CN(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL250004574279	1	33	-1.0	-51.73	284.94	8.07	-43.66
CCN1C=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004574280	0	36	-1.0	-52.29	305.93	8.69	-43.60
CCN1C=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004574280	1	36	-1.0	-52.25	306.07	8.65	-43.60
CN(C(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004574281	0	33	-1.0	-54.48	285.88	6.06	-48.42
CN(C(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004574281	1	33	-1.0	-54.40	286.07	6.05	-48.35
CC(OCC1CCCCO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574282	0	37	-1.0	-34.06	293.05	5.16	-28.90
CC(OCC1CCCCO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574282	1	37	-1.0	-34.11	292.91	5.19	-28.92
CC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004574283	0	29	-1.0	-45.34	254.85	6.48	-38.86
CC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004574283	1	29	-1.0	-45.26	254.99	6.46	-38.80
CC(=O)C1=CC=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574284	0	35	-1.0	-38.04	291.00	6.91	-31.13
CC(=O)C1=CC=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574284	1	35	-1.0	-38.06	290.88	6.93	-31.13
CC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574285	0	35	-1.0	-47.21	262.39	6.60	-40.61
CC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574285	1	35	-1.0	-47.09	262.53	6.59	-40.50
COC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574286	0	36	-1.0	-48.77	276.69	6.31	-42.46
COC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574286	1	36	-1.0	-48.73	276.83	6.29	-42.44
CN(C(=O)CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004574287	0	26	-1.0	-46.18	260.48	6.88	-39.30
CN(C(=O)CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004574287	1	26	-1.0	-46.27	260.34	6.92	-39.35
CN(C(=O)C1=CC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL250004574288	0	24	-1.0	-47.02	230.08	0.72	-46.30
CN(C(=O)C1=CC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL250004574288	1	24	-1.0	-46.96	230.22	0.70	-46.26
CC1=NN(C)C(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574289	0	35	-1.0	-35.53	274.38	5.20	-30.33
CC1=NN(C)C(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574289	1	35	-1.0	-35.57	274.28	5.23	-30.34
CC(C)C1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574290	0	39	-1.0	-46.23	319.93	7.53	-38.70
CC(C)C1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574290	1	39	-1.0	-46.29	319.79	7.56	-38.73
CN(C(=O)C1=CC=CC2=C1OCCO2)C1=NN=N[N-]1	REAL250004574291	0	29	-1.0	-53.21	248.22	4.70	-48.51
CN(C(=O)C1=CC=CC2=C1OCCO2)C1=N[N-]N=N1	REAL250004574291	1	29	-1.0	-53.11	248.36	4.68	-48.43
CN(C(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL250004574292	0	20	-1.0	-44.82	213.71	4.43	-40.39
CN(C(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL250004574292	1	20	-1.0	-44.90	213.56	4.45	-40.45
CN(C(=O)C1CCCN1C(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004574293	0	42	-1.0	-59.03	318.91	7.03	-52.00
CN(C(=O)C1CCCN1C(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004574293	1	42	-1.0	-59.13	318.78	7.05	-52.08
CN(C(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004574294	0	36	-1.0	-48.52	285.86	3.73	-44.79
CN(C(=O)C1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004574294	1	36	-1.0	-48.43	286.01	3.73	-44.70
CN(C(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004574295	0	33	-1.0	-45.61	288.91	5.28	-40.33
CN(C(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004574295	1	33	-1.0	-45.55	289.05	5.28	-40.27
COC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574296	0	36	-1.0	-50.87	302.26	6.85	-44.02
COC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574296	1	36	-1.0	-50.96	302.13	6.89	-44.07
CC(CC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574297	0	32	-1.0	-45.29	268.17	7.04	-38.25
CC(CC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574297	1	32	-1.0	-45.41	268.04	7.06	-38.35
CC(CC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574298	0	32	-1.0	-46.40	268.16	7.03	-39.37
CC(CC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574298	1	32	-1.0	-46.45	268.02	7.06	-39.39
C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004574299	0	31	-1.0	-50.68	289.44	3.78	-46.90
C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004574299	1	31	-1.0	-50.73	289.31	3.81	-46.92
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1CCCC1=O	REAL250004574300	0	36	-1.0	-61.44	279.84	6.98	-54.46
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1CCCC1=O	REAL250004574300	1	36	-1.0	-61.55	279.71	6.98	-54.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC1(C)C	REAL250004574301	0	30	-1.0	-56.63	262.85	5.13	-51.50
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC1(C)C	REAL250004574301	1	30	-1.0	-56.70	262.71	5.13	-51.57
COC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574302	0	27	-1.0	-49.29	249.98	5.33	-43.96
COC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574302	1	27	-1.0	-49.16	250.12	5.32	-43.84
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574303	0	28	-1.0	-46.35	250.51	6.25	-40.10
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574303	1	28	-1.0	-46.31	250.65	6.24	-40.07
CCN(C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL250004574304	0	40	-1.0	-49.19	307.68	7.47	-41.72
CCN(C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL250004574304	1	40	-1.0	-49.19	307.83	7.48	-41.71
CN(C(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NN=N[N-]1	REAL250004574305	0	28	-1.0	-46.81	253.33	6.82	-39.99
CN(C(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=N[N-]N=N1	REAL250004574305	1	28	-1.0	-52.31	253.47	6.78	-45.53
CN(C(=O)C1=CC=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004574306	0	36	-1.0	-50.81	286.86	4.89	-45.92
CN(C(=O)C1=CC=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004574306	1	36	-1.0	-50.72	287.01	4.89	-45.83
CN(C(=O)C1=CC=CN=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004574307	0	35	-1.0	-50.17	288.94	3.53	-46.64
CN(C(=O)C1=CC=CN=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004574307	1	35	-1.0	-50.25	288.80	3.54	-46.71
CCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574308	0	28	-1.0	-44.69	247.85	4.09	-40.60
CCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574308	1	28	-1.0	-44.75	247.70	4.10	-40.65
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004574309	0	31	-1.0	-47.41	262.83	4.46	-42.95
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004574309	1	31	-1.0	-47.33	262.97	4.45	-42.88
CN(C(=O)CCCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004574310	0	33	-1.0	-53.35	297.26	6.93	-46.42
CN(C(=O)CCCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004574310	1	33	-1.0	-53.44	297.13	6.95	-46.49
CC(C)C1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574311	0	30	-1.0	-43.22	270.46	5.65	-37.57
CC(C)C1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574311	1	30	-1.0	-43.27	270.33	5.67	-37.60
CN(C(=O)CCCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574312	0	36	-1.0	-51.68	306.79	6.83	-44.85
CN(C(=O)CCCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574312	1	36	-1.0	-51.75	306.65	6.87	-44.88
CN(C(=O)CN1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574313	0	32	-1.0	-47.10	264.23	5.16	-41.94
CN(C(=O)CN1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574313	1	32	-1.0	-47.15	264.10	5.19	-41.96
CCN(CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004574314	1	37	-1.0	-45.27	300.90	4.73	-40.54
CCN(CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004574314	1	37	-1.0	-45.34	300.76	4.75	-40.59
CCCN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574315	0	37	-1.0	-49.24	296.23	7.02	-42.22
CCCN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574315	1	37	-1.0	-49.23	296.37	7.01	-42.22
CC1=NC([N+](=O)[O-])=CN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574316	0	28	-1.0	-56.14	261.90	6.44	-49.70
CC1=NC([N+](=O)[O-])=CN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574316	1	28	-1.0	-56.19	261.77	6.47	-49.72
COC1=CC=CC2=C1OCC(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL250004574317	0	33	-1.0	-49.74	285.02	5.48	-44.26
COC1=CC=CC2=C1OCC(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL250004574317	1	33	-1.0	-49.67	285.17	5.48	-44.19
CC(CC(=O)N(C)C1=N[N-]N=N1)C1CCCCC1	REAL250004574318	0	38	-1.0	-46.41	284.55	7.35	-39.06
CC(CC(=O)N(C)C1=NN=N[N-]1)C1CCCCC1	REAL250004574318	1	38	-1.0	-46.44	284.41	7.36	-39.08
CN(C(=O)CC1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL250004574319	0	30	-1.0	-50.95	268.05	6.13	-44.82
CN(C(=O)CC1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL250004574319	1	30	-1.0	-50.88	268.18	6.09	-44.79
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004574320	0	29	-1.0	-44.19	258.45	5.68	-38.51
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004574320	1	29	-1.0	-44.09	258.59	5.70	-38.39
CN(C(=O)COC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004574321	0	31	-1.0	-57.11	273.23	2.65	-54.46
CN(C(=O)COC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004574321	1	31	-1.0	-57.26	273.09	2.67	-54.59
CN(C(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004574322	0	32	-1.0	-56.13	273.37	4.46	-51.67
CN(C(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004574322	1	32	-1.0	-56.00	273.49	4.45	-51.55
CC(OC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574323	0	30	-1.0	-47.57	263.81	6.29	-41.28
CC(OC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574323	1	30	-1.0	-47.65	263.67	6.32	-41.33
COCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574324	0	36	-1.0	-45.19	306.18	2.35	-42.84
COCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574324	1	36	-1.0	-45.17	306.32	2.36	-42.81
CN(C(=O)C1(C)CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574325	0	36	-1.0	-48.56	264.68	7.26	-41.30
CN(C(=O)C1(C)CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574325	1	36	-1.0	-48.50	264.81	7.23	-41.27
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574326	0	32	-1.0	-46.26	278.98	5.59	-40.67
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574326	1	32	-1.0	-46.19	279.12	5.56	-40.63
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004574327	0	33	-1.0	-52.30	283.01	6.71	-45.59
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004574327	1	33	-1.0	-52.20	283.15	6.69	-45.51
CCC(C)C(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574328	0	42	-1.0	-54.18	319.34	5.99	-48.19
CCC(C)C(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574328	1	42	-1.0	-54.27	319.21	6.01	-48.26
CN(C(=O)CCNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004574329	0	39	-1.0	-56.02	312.13	4.67	-51.35
CN(C(=O)CCNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004574329	1	39	-1.0	-56.09	311.99	4.71	-51.38
CN(C(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004574330	0	29	-1.0	-59.30	272.14	1.74	-57.56
CN(C(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004574330	1	29	-1.0	-59.38	271.99	1.78	-57.60
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574331	0	28	-1.0	-42.64	250.42	6.28	-36.36
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574331	1	28	-1.0	-42.53	250.46	6.27	-36.26
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004574332	0	42	-1.0	-48.65	296.77	8.34	-40.31
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004574332	1	42	-1.0	-48.75	296.64	8.34	-40.41
CN(C(=O)C1=CC=CC=C1OCC1CC1)C1=NN=N[N-]1	REAL250004574333	0	34	-1.0	-55.15	282.38	7.82	-47.33
CN(C(=O)C1=CC=CC=C1OCC1CC1)C1=N[N-]N=N1	REAL250004574333	1	34	-1.0	-55.05	282.52	7.81	-47.24
CC1=CC=CC(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)=C1	REAL250004574334	0	32	-1.0	-45.73	280.87	5.97	-39.76
CC1=CC=CC(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)=C1	REAL250004574334	1	32	-1.0	-45.63	281.01	5.96	-39.67
CN(C(=O)CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL250004574335	0	26	-1.0	-47.49	251.16	6.58	-40.91
CN(C(=O)CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL250004574335	1	26	-1.0	-47.57	251.03	6.61	-40.96
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CO2)O1	REAL250004574336	0	32	-1.0	-56.83	289.05	3.12	-53.71
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CO2)O1	REAL250004574336	1	32	-1.0	-56.70	289.19	3.08	-53.62
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004574337	0	37	-1.0	-50.76	293.05	6.39	-44.37
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004574337	1	37	-1.0	-50.85	292.91	6.42	-44.43
CN(C(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL250004574338	0	27	-1.0	-50.04	258.84	3.14	-46.90
CN(C(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL250004574338	1	27	-1.0	-49.98	258.99	3.12	-46.86
CN(C(=O)CCC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004574339	0	29	-1.0	-49.73	263.01	6.86	-42.87
CN(C(=O)CCC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004574339	1	29	-1.0	-49.78	262.88	6.89	-42.89
COC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004574340	0	37	-1.0	-52.31	292.00	6.55	-45.76
COC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004574340	1	37	-1.0	-52.35	291.86	6.58	-45.77
CC1=NN(CCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL250004574341	0	34	-1.0	-45.64	304.71	5.74	-39.90
CC1=NN(CCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL250004574341	1	34	-1.0	-45.72	304.58	5.78	-39.94
COC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004574342	0	34	-1.0	-52.19	282.57	6.20	-45.99
COC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004574342	1	34	-1.0	-52.28	282.43	6.22	-46.06
CN(C(=O)C1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004574343	0	26	-1.0	-47.08	233.77	5.77	-41.31
CN(C(=O)C1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004574343	1	26	-1.0	-46.99	233.91	5.77	-41.22
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004574344	0	33	-1.0	-47.44	266.56	7.23	-40.21
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004574344	1	33	-1.0	-47.38	266.71	7.21	-40.17
CN(C(=O)C1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004574345	0	31	-1.0	-47.73	271.36	5.47	-42.26
CN(C(=O)C1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004574345	1	31	-1.0	-47.65	271.50	5.45	-42.20
CC(C)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574346	0	28	-1.0	-47.46	252.56	4.93	-42.53
CC(C)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574346	1	28	-1.0	-47.54	252.41	4.95	-42.59
CN(C(=O)C1=CC=C(N2CCCC2)N=N1)C1=NN=N[N-]1	REAL250004574347	0	33	-1.0	-45.21	273.37	4.25	-40.96
CN(C(=O)C1=CC=C(N2CCCC2)N=N1)C1=N[N-]N=N1	REAL250004574347	1	33	-1.0	-45.16	273.51	4.24	-40.92
CN(C(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004574348	0	31	-1.0	-30.15	262.74	4.57	-25.58
CN(C(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004574348	1	31	-1.0	-30.14	262.89	4.55	-25.59
CN(C(=O)C1=CN(C)N=C1C1CCCCC1)C1=N[N-]N=N1	REAL250004574349	0	39	-1.0	-51.17	309.98	6.50	-44.67
CN(C(=O)C1=CN(C)N=C1C1CCCCC1)C1=NN=N[N-]1	REAL250004574349	1	39	-1.0	-51.26	309.85	6.52	-44.74
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004574350	0	34	-1.0	-52.12	281.81	6.14	-45.98
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004574350	1	34	-1.0	-52.06	281.94	6.13	-45.93
CN(C(=O)CC1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004574351	0	34	-1.0	-49.89	296.61	5.46	-44.43
CN(C(=O)CC1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004574351	1	34	-1.0	-49.98	296.47	5.49	-44.49
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004574352	0	32	-1.0	-49.74	269.74	7.23	-42.51
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004574352	1	32	-1.0	-49.82	269.60	7.24	-42.58
CN(C(=O)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574353	0	25	-1.0	-42.13	248.69	5.50	-36.63
CN(C(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574353	1	25	-1.0	-42.17	248.56	5.49	-36.68
CN(C(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=N[N-]N=N1	REAL250004574354	0	28	-1.0	-53.05	262.25	5.17	-47.88
CN(C(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NN=N[N-]1	REAL250004574354	1	28	-1.0	-53.10	262.12	5.19	-47.91
CN(C(=O)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574355	0	26	-1.0	-47.57	246.60	6.47	-41.10
CN(C(=O)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574355	1	26	-1.0	-47.70	246.46	6.51	-41.19
CC1=NSC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004574356	0	27	-1.0	-42.49	250.18	3.66	-38.83
CC1=NSC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004574356	1	27	-1.0	-42.37	250.31	3.67	-38.70
CC1=NOC(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574357	0	31	-1.0	-50.22	252.95	4.87	-45.35
CC1=NOC(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574357	1	31	-1.0	-50.30	252.82	4.88	-45.42
CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1=N[N-]N=N1	REAL250004574358	0	32	-1.0	-48.17	250.92	2.24	-45.93
CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1=NN=N[N-]1	REAL250004574358	1	32	-1.0	-48.24	250.77	2.24	-46.00
CN(C(=O)C1=CC(F)=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574359	0	25	-1.0	-49.87	241.81	6.56	-43.31
CN(C(=O)C1=CC(F)=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574359	1	25	-1.0	-49.99	241.67	6.56	-43.43
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL250004574360	0	35	-1.0	-58.75	299.77	7.32	-51.43
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL250004574360	1	35	-1.0	-58.80	299.63	7.35	-51.45
CC(C)OC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574361	0	36	-1.0	-50.67	297.95	6.87	-43.80
CC(C)OC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574361	1	36	-1.0	-50.76	297.82	6.91	-43.85
CN(C(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=N[N-]N=N1	REAL250004574362	0	28	-1.0	-46.61	252.77	6.17	-40.44
CN(C(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NN=N[N-]1	REAL250004574362	1	28	-1.0	-46.74	252.63	6.18	-40.56
CC1=CC=CN2C=C(CC(=O)N(C)C3=N[N-]N=N3)N=C12	REAL250004574363	0	32	-1.0	-60.91	277.19	7.19	-53.72
CC1=CC=CN2C=C(CC(=O)N(C)C3=NN=N[N-]3)N=C12	REAL250004574363	1	32	-1.0	-60.94	277.06	7.21	-53.73
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)=C1	REAL250004574364	0	39	-1.0	-50.32	296.25	8.57	-41.75
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)=C1	REAL250004574364	1	39	-1.0	-50.41	296.12	8.57	-41.84
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004574365	0	31	-1.0	-46.29	263.94	4.09	-42.20
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004574365	1	31	-1.0	-46.26	264.08	4.09	-42.17
CC(C)C1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004574366	0	42	-1.0	-49.76	323.23	9.05	-40.71
CC(C)C1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004574366	1	42	-1.0	-49.88	323.09	9.07	-40.81
CCSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574367	0	29	-1.0	-44.07	261.24	5.13	-38.94
CCSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574367	1	29	-1.0	-43.98	261.38	5.12	-38.86
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574368	0	33	-1.0	-48.23	283.24	4.96	-43.27
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574368	1	33	-1.0	-48.19	283.36	4.98	-43.21
CN(C(=O)C1CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574369	0	31	-1.0	-49.83	257.72	5.56	-44.27
CN(C(=O)C1CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574369	1	31	-1.0	-49.77	257.85	5.54	-44.23
CCCC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574370	0	34	-1.0	-55.12	286.80	5.77	-49.35
CCCC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574370	1	34	-1.0	-55.19	286.67	5.79	-49.40
CN(C(=O)C1=CC=C(OCC2CC2)N=C1)C1=NN=N[N-]1	REAL250004574371	0	33	-1.0	-45.30	283.40	4.19	-41.11
CN(C(=O)C1=CC=C(OCC2CC2)N=C1)C1=N[N-]N=N1	REAL250004574371	1	33	-1.0	-45.21	283.55	4.17	-41.04
CCC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574372	0	35	-1.0	-48.06	283.78	7.67	-40.39
CCC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574372	1	35	-1.0	-48.14	283.64	7.69	-40.45
CCCCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574373	0	34	-1.0	-64.51	297.35	3.25	-61.26
CCCCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574373	1	34	-1.0	-64.59	297.21	3.28	-61.31
CCCCC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574374	0	37	-1.0	-55.24	308.30	6.55	-48.69
CCCCC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574374	1	37	-1.0	-55.30	308.17	6.57	-48.73
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL250004574375	0	42	-1.0	-53.87	331.48	5.82	-48.05
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL250004574375	1	42	-1.0	-53.98	331.35	5.85	-48.13
CN(C(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL250004574376	0	28	-1.0	-47.05	263.17	4.07	-42.98
CN(C(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL250004574376	1	28	-1.0	-46.97	263.32	4.04	-42.93
CC(C)OC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574377	0	37	-1.0	-48.42	308.18	7.31	-41.11
CC(C)OC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574377	1	37	-1.0	-48.45	308.04	7.33	-41.12
CN(C(=O)C1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004574378	0	22	-1.0	-44.29	220.59	4.82	-39.47
CN(C(=O)C1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004574378	1	22	-1.0	-44.28	220.73	4.81	-39.47
CC1CC(CC(=O)N(C)C2=N[N-]N=N2)CC(C)(C)C1	REAL250004574379	0	41	-1.0	-47.27	304.51	7.73	-39.54
CC1CC(CC(=O)N(C)C2=NN=N[N-]2)CC(C)(C)C1	REAL250004574379	1	41	-1.0	-47.32	304.37	7.75	-39.57
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004574380	0	32	-1.0	-54.72	285.39	6.71	-48.01
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004574380	1	32	-1.0	-54.77	285.26	6.74	-48.03
CCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574381	0	40	-1.0	-46.82	312.31	8.11	-38.71
CCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574381	1	40	-1.0	-46.92	312.17	8.12	-38.80
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004574382	0	30	-1.0	-46.78	274.19	7.71	-39.07
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004574382	1	30	-1.0	-46.86	274.04	7.71	-39.15
COC1=CC=CC=C1C(C)=CC(=O)N(C)C1=NN=N[N-]1	REAL250004574383	0	34	-1.0	-48.50	287.71	6.61	-41.89
COC1=CC=CC=C1C(C)=CC(=O)N(C)C1=N[N-]N=N1	REAL250004574383	1	34	-1.0	-48.43	287.85	6.62	-41.81
CC(SC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574384	0	31	-1.0	-47.22	285.06	7.22	-40.00
CC(SC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574384	1	31	-1.0	-47.30	284.93	7.24	-40.06
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(CC(C)C)=N1	REAL250004574385	0	34	-1.0	-44.39	287.36	5.53	-38.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(CC(C)C)=N1	REAL250004574385	1	34	-1.0	-44.45	287.22	5.55	-38.90
CN(C(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574386	0	39	-1.0	-49.39	300.53	8.25	-41.14
CN(C(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574386	1	39	-1.0	-49.45	300.39	8.27	-41.18
CN(C(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL250004574387	0	30	-1.0	-50.54	278.48	6.52	-44.02
CN(C(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL250004574387	1	30	-1.0	-50.63	278.35	6.56	-44.07
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL250004574388	0	35	-1.0	-50.15	285.37	5.37	-44.78
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL250004574388	1	35	-1.0	-50.25	285.23	5.40	-44.85
CN(C(=O)CSCC1CCCCO1)C1=N[N-]N=N1	REAL250004574389	0	34	-1.0	-50.81	289.08	5.50	-45.31
CN(C(=O)CSCC1CCCCO1)C1=NN=N[N-]1	REAL250004574389	1	34	-1.0	-50.90	288.94	5.53	-45.37
CN(C(=O)C1=C(C(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL250004574390	0	26	-1.0	-53.23	235.81	3.39	-49.84
CN(C(=O)C1=C(C(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL250004574390	1	26	-1.0	-53.29	235.66	3.42	-49.87
CNC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574391	0	29	-1.0	-45.32	256.60	1.49	-43.83
CNC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574391	1	29	-1.0	-45.21	256.74	1.47	-43.74
CC(=O)NCC(=O)N1CCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004574392	0	37	-1.0	-58.94	304.36	2.95	-55.99
CC(=O)NCC(=O)N1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004574392	1	37	-1.0	-59.03	304.23	2.96	-56.07
CC(C)COC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574393	0	35	-1.0	-53.52	294.28	4.64	-48.88
CC(C)COC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574393	1	35	-1.0	-53.40	294.42	4.64	-48.76
CN(C(=O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004574394	0	23	-1.0	-40.63	222.12	5.11	-35.52
CN(C(=O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004574394	1	23	-1.0	-40.67	221.98	5.10	-35.57
COC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574395	0	31	-1.0	-59.27	268.01	3.12	-56.15
COC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574395	1	31	-1.0	-59.17	268.16	3.11	-56.06
COC1=CC=CC=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574396	0	36	-1.0	-49.51	292.60	6.58	-42.93
COC1=CC=CC=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574396	1	36	-1.0	-49.60	292.46	6.60	-43.00
CC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574397	0	35	-1.0	-50.31	274.06	7.55	-42.76
CC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574397	1	35	-1.0	-50.24	274.20	7.54	-42.70
CN(C(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL250004574398	0	32	-1.0	-44.59	280.19	7.41	-37.18
CN(C(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL250004574398	1	32	-1.0	-44.71	280.06	7.43	-37.28
CN(C(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NN=N[N-]1	REAL250004574399	0	27	-1.0	-51.53	259.69	3.02	-48.51
CN(C(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=N[N-]N=N1	REAL250004574399	1	27	-1.0	-51.43	259.84	3.00	-48.43
CN(C(=O)C1=CC(F)=C(Cl)N=C1Cl)C1=NN=N[N-]1	REAL250004574400	0	22	-1.0	-40.70	236.87	4.08	-36.62
CN(C(=O)C1=CC(F)=C(Cl)N=C1Cl)C1=N[N-]N=N1	REAL250004574400	1	22	-1.0	-40.59	237.01	4.07	-36.52
CN(C(=O)CC1=COC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL250004574401	0	29	-1.0	-58.09	276.57	3.54	-54.55
CN(C(=O)CC1=COC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL250004574401	1	29	-1.0	-58.02	276.70	3.52	-54.50
CN(C(=O)CCCCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004574402	0	35	-1.0	-49.08	305.99	8.21	-40.87
CN(C(=O)CCCCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004574402	1	35	-1.0	-49.18	305.85	8.24	-40.94
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574403	0	25	-1.0	-44.04	237.60	5.65	-38.39
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574403	1	25	-1.0	-43.97	237.74	5.67	-38.30
CC(C)OC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574404	0	33	-1.0	-53.99	272.32	6.63	-47.36
CC(C)OC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574404	1	33	-1.0	-53.90	272.46	6.61	-47.29
CN(C(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL250004574405	0	29	-1.0	-54.80	262.73	4.61	-50.19
CN(C(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL250004574405	1	29	-1.0	-54.70	262.88	4.61	-50.09
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004574406	0	32	-1.0	-49.28	259.19	6.93	-42.35
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004574406	1	32	-1.0	-49.37	259.05	6.94	-42.43
COC(=O)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574407	0	35	-1.0	-48.88	306.07	7.45	-41.43
COC(=O)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574407	1	35	-1.0	-48.91	305.93	7.47	-41.44
CN(C(=O)CC1OCCC2=C1SC=C2)C1=N[N-]N=N1	REAL250004574408	0	31	-1.0	-48.81	271.59	5.93	-42.88
CN(C(=O)CC1OCCC2=C1SC=C2)C1=NN=N[N-]1	REAL250004574408	1	31	-1.0	-48.89	271.45	5.96	-42.93
CN(C(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004574409	0	36	-1.0	-52.47	298.14	5.95	-46.52
CN(C(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004574409	1	36	-1.0	-52.55	298.00	5.97	-46.58
CC(C)C(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574410	0	38	-1.0	-48.70	301.98	8.28	-40.42
CC(C)C(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574410	1	38	-1.0	-48.80	301.84	8.30	-40.50
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004574411	0	26	-1.0	-47.47	238.41	6.01	-41.46
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004574411	1	26	-1.0	-47.43	238.55	6.03	-41.40
CN(C(=O)CSC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004574412	0	28	-1.0	-49.09	269.23	6.85	-42.24
CN(C(=O)CSC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004574412	1	28	-1.0	-49.15	269.09	6.89	-42.26
CN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574413	0	33	-1.0	-59.52	274.21	4.79	-54.73
CN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574413	1	33	-1.0	-59.52	274.35	4.78	-54.74
CN(C(=O)C1=CC2=C(CCOC2)S1)C1=N[N-]N=N1	REAL250004574414	0	28	-1.0	-46.92	247.09	4.07	-42.85
CN(C(=O)C1=CC2=C(CCOC2)S1)C1=NN=N[N-]1	REAL250004574414	1	28	-1.0	-46.98	246.94	4.08	-42.90
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004574415	0	32	-1.0	-54.15	277.32	7.34	-46.81
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004574415	1	32	-1.0	-54.10	277.48	7.34	-46.76
CN(C(=O)CN1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004574416	0	28	-1.0	-54.02	247.39	1.41	-52.61
CN(C(=O)CN1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004574416	1	28	-1.0	-54.11	247.26	1.43	-52.68
CN(C(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574417	0	25	-1.0	-61.36	249.65	6.46	-54.90
CN(C(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574417	1	25	-1.0	-61.28	249.78	6.43	-54.85
CCC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004574418	0	36	-1.0	-52.31	304.54	7.47	-44.84
CCC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004574418	1	36	-1.0	-52.22	304.68	7.44	-44.78
CN(C(=O)CN1C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004574419	0	29	-1.0	-60.56	256.69	5.62	-54.94
CN(C(=O)CN1C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004574419	1	29	-1.0	-60.47	256.82	5.59	-54.88
COC1=NC=NC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574420	0	29	-1.0	-50.57	262.90	0.20	-50.37
COC1=NC=NC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574420	1	29	-1.0	-50.51	263.05	0.17	-50.34
CN(C(=O)C1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004574421	0	26	-1.0	-54.20	237.14	5.85	-48.35
CN(C(=O)C1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004574421	1	26	-1.0	-54.14	237.28	5.86	-48.28
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N2N=CC=C2N1	REAL250004574422	0	32	-1.0	-68.68	278.06	4.17	-64.51
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N2N=CC=C2N1	REAL250004574422	1	32	-1.0	-68.81	277.92	4.21	-64.60
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004574423	0	25	-1.0	-44.36	244.66	5.11	-39.25
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004574423	1	25	-1.0	-44.45	244.53	5.10	-39.35
CN(C(=O)CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004574424	0	29	-1.0	-49.21	258.95	6.65	-42.56
CN(C(=O)CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004574424	1	29	-1.0	-49.26	258.82	6.67	-42.59
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574425	0	35	-1.0	-45.97	284.39	7.84	-38.13
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574425	1	35	-1.0	-46.10	284.26	7.87	-38.23
CN(C(=O)CN1N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574426	0	29	-1.0	-53.64	258.42	5.54	-48.10
CN(C(=O)CN1N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574426	1	29	-1.0	-53.57	258.55	5.52	-48.05
CN(C(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL250004574427	0	35	-1.0	-45.15	283.89	5.34	-39.81
CN(C(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL250004574427	1	35	-1.0	-45.03	284.04	5.33	-39.70
CCN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574428	0	36	-1.0	-59.89	296.02	5.80	-54.09
CCN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574428	1	36	-1.0	-59.86	296.16	5.79	-54.07
CN(C(=O)C1=C(OC(F)F)C=CS1)C1=N[N-]N=N1	REAL250004574429	0	24	-1.0	-51.08	231.13	4.22	-46.86
CN(C(=O)C1=C(OC(F)F)C=CS1)C1=NN=N[N-]1	REAL250004574429	1	24	-1.0	-51.20	230.99	4.20	-47.00
CN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004574430	0	37	-1.0	-56.00	292.95	5.88	-50.12
CN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004574430	1	37	-1.0	-56.06	292.82	5.91	-50.15
COC(=O)N(C)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574431	0	33	-1.0	-54.69	282.90	4.10	-50.59
COC(=O)N(C)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574431	1	33	-1.0	-54.80	282.76	4.14	-50.66
CN(C(=O)CC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004574432	0	30	-1.0	-51.02	269.12	5.55	-45.47
CN(C(=O)CC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004574432	1	30	-1.0	-51.10	268.99	5.58	-45.52
CN(C(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL250004574433	0	29	-1.0	-48.34	271.64	3.55	-44.79
CN(C(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL250004574433	1	29	-1.0	-48.27	271.79	3.53	-44.74
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=N1	REAL250004574435	0	28	-1.0	-46.90	249.88	4.62	-42.28
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=N1	REAL250004574435	1	28	-1.0	-46.78	250.02	4.59	-42.19
CN(C(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL250004574436	0	29	-1.0	-54.26	250.74	3.22	-51.04
CN(C(=O)C1=CC=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL250004574436	1	29	-1.0	-54.16	250.88	3.20	-50.96
CC(C)COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574437	0	39	-1.0	-48.84	322.82	7.70	-41.14
CC(C)COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574437	1	39	-1.0	-48.93	322.69	7.72	-41.21
CSC1=C(C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004574438	0	24	-1.0	-51.09	230.68	4.83	-46.26
CSC1=C(C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004574438	1	24	-1.0	-51.03	230.81	4.83	-46.20
COC(=O)CSCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574439	0	29	-1.0	-47.50	269.85	5.14	-42.36
COC(=O)CSCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574439	1	29	-1.0	-47.58	269.71	5.17	-42.41
COC1=CC=CC=C1CC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574440	0	39	-1.0	-50.29	314.32	7.34	-42.95
COC1=CC=CC=C1CC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574440	1	39	-1.0	-50.36	314.18	7.35	-43.01
CN(C(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004574441	0	34	-1.0	-51.05	290.22	8.46	-42.59
CN(C(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004574441	1	34	-1.0	-50.97	290.36	8.46	-42.51
CN(C(=O)C1=CN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL250004574442	0	26	-1.0	-46.07	250.19	3.88	-42.19
CN(C(=O)C1=CN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL250004574442	1	26	-1.0	-46.03	250.35	3.86	-42.17
CN(C(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NN=N[N-]1	REAL250004574443	0	31	-1.0	-49.57	272.38	7.14	-42.43
CN(C(=O)C1=CC2=CC=CC=C2N1CC#N)C1=N[N-]N=N1	REAL250004574443	1	31	-1.0	-49.50	272.53	7.13	-42.37
CC1=CC(C)=C(C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574444	0	39	-1.0	-47.23	318.90	7.57	-39.66
CC1=CC(C)=C(C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574444	1	39	-1.0	-47.31	318.76	7.60	-39.71
CN(C(=O)C(C)(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004574445	0	32	-1.0	-35.16	255.93	6.33	-28.83
CN(C(=O)C(C)(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004574445	1	32	-1.0	-35.23	255.81	6.34	-28.89
CN(C(=O)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL250004574446	0	26	-1.0	-47.54	247.51	6.44	-41.10
CN(C(=O)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL250004574446	1	26	-1.0	-47.64	247.37	6.47	-41.17
CC1=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=CC=C1	REAL250004574447	0	33	-1.0	-52.62	276.82	6.51	-46.11
CC1=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=CC=C1	REAL250004574447	1	33	-1.0	-52.55	276.96	6.49	-46.06
CN(C(=O)C1=CN=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004574448	0	26	-1.0	-45.94	239.83	4.47	-41.47
CN(C(=O)C1=CN=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004574448	1	26	-1.0	-46.03	239.68	4.49	-41.54
CN(C(=O)C1=CC=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL250004574449	0	28	-1.0	-52.45	245.56	3.36	-49.09
CN(C(=O)C1=CC=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL250004574449	1	28	-1.0	-52.39	245.70	3.36	-49.03
COC1=CC=CC=C1CC(C)=CC(=O)N(C)C1=N[N-]N=N1	REAL250004574450	0	37	-1.0	-49.60	304.96	7.50	-42.10
COC1=CC=CC=C1CC(C)=CC(=O)N(C)C1=NN=N[N-]1	REAL250004574450	1	37	-1.0	-49.72	304.82	7.52	-42.20
CC(=O)C1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574451	0	25	-1.0	-54.97	234.19	4.25	-50.72
CC(=O)C1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574451	1	25	-1.0	-55.09	234.04	4.25	-50.84
CN(C(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NN=N[N-]1	REAL250004574452	0	30	-1.0	-45.62	264.65	6.10	-39.52
CN(C(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=N[N-]N=N1	REAL250004574452	1	30	-1.0	-45.53	264.79	6.10	-39.43
COC(C)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574453	0	33	-1.0	-47.11	258.03	5.30	-41.81
COC(C)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574453	1	33	-1.0	-47.04	258.17	5.29	-41.75
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004574454	0	27	-1.0	-47.92	248.56	4.74	-43.18
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004574454	1	27	-1.0	-47.85	248.69	4.74	-43.11
COC(=O)N[C@H](C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004574455	0	33	-1.0	-43.17	267.62	2.48	-40.69
COC(=O)N[C@H](C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004574455	1	33	-1.0	-43.19	267.49	2.49	-40.70
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574456	0	33	-1.0	-47.51	274.33	5.90	-41.61
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574456	1	33	-1.0	-47.46	274.47	5.89	-41.57
CN(C(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL250004574457	0	37	-1.0	-50.91	295.35	7.09	-43.82
CN(C(=O)C1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL250004574457	1	37	-1.0	-50.77	295.50	7.09	-43.68
CN(C(=O)CN1N=CN2N=CC=C2C1=O)C1=N[N-]N=N1	REAL250004574458	0	28	-1.0	-56.63	258.16	4.12	-52.51
CN(C(=O)CN1N=CN2N=CC=C2C1=O)C1=NN=N[N-]1	REAL250004574458	1	28	-1.0	-56.66	258.03	4.15	-52.51
CN(C(=O)CC1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004574459	0	36	-1.0	-50.12	288.01	8.37	-41.75
CN(C(=O)CC1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004574459	1	36	-1.0	-50.17	287.87	8.39	-41.78
CN(C(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=NN=N[N-]1	REAL250004574460	0	29	-1.0	-49.71	257.27	4.70	-45.01
CN(C(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=N[N-]N=N1	REAL250004574460	1	29	-1.0	-49.58	257.42	4.67	-44.91
CC(C)COC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574461	0	36	-1.0	-54.61	292.30	7.71	-46.90
CC(C)COC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574461	1	36	-1.0	-54.50	292.44	7.70	-46.80
CCOC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004574462	0	29	-1.0	-43.05	267.07	3.04	-40.01
CCOC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004574462	1	29	-1.0	-42.95	267.21	3.04	-39.91
CCCC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574463	0	44	-1.0	-33.53	323.32	8.69	-24.84
CCCC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574463	1	44	-1.0	-33.54	323.13	8.69	-24.85
CN(C(=O)CC1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574464	0	36	-1.0	-46.55	283.84	8.21	-38.34
CN(C(=O)CC1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574464	1	36	-1.0	-46.63	283.70	8.22	-38.41
CN(C(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004574465	0	42	-1.0	-48.83	326.94	9.68	-39.15
CN(C(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004574465	1	42	-1.0	-48.93	326.80	9.70	-39.23
CN(C(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004574466	0	29	-1.0	-55.94	257.72	3.40	-52.54
CN(C(=O)C1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004574466	1	29	-1.0	-55.95	257.86	3.40	-52.55
CC(OC1=CC=C(F)C=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004574467	0	30	-1.0	-29.77	272.67	7.07	-22.70
CC(OC1=CC=C(F)C=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004574467	1	30	-1.0	-29.82	272.52	7.09	-22.73
CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004574468	0	27	-1.0	-51.43	254.59	2.23	-49.20
CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004574468	1	27	-1.0	-51.51	254.46	2.25	-49.26
CN(C(=O)CCCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004574469	0	32	-1.0	-59.76	276.56	5.84	-53.92
CN(C(=O)CCCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004574469	1	32	-1.0	-59.81	276.43	5.88	-53.93
CN(C(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004574470	0	30	-1.0	-51.98	261.38	6.12	-45.86
CN(C(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004574470	1	30	-1.0	-51.92	261.52	6.14	-45.78
CN(C(=O)CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004574471	0	25	-1.0	-49.42	241.44	4.64	-44.78
CN(C(=O)CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004574471	1	25	-1.0	-49.35	241.58	4.61	-44.74
COCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574472	0	34	-1.0	-49.95	286.66	4.41	-45.54
COCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574472	1	34	-1.0	-50.01	286.52	4.42	-45.59
CC1=CC(OC(F)F)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574473	0	27	-1.0	-51.04	252.78	5.02	-46.02
CC1=CC(OC(F)F)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574473	1	27	-1.0	-51.12	252.63	5.03	-46.09
CC1CCCCC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004574474	0	36	-1.0	-49.94	286.13	6.61	-43.33
CC1CCCCC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004574474	1	36	-1.0	-50.01	286.00	6.63	-43.38
CC(CSC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574475	0	33	-1.0	-46.20	282.54	7.52	-38.68
CC(CSC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574475	1	33	-1.0	-46.25	282.41	7.55	-38.70
CN(C(=O)CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004574476	0	30	-1.0	-50.80	267.93	5.61	-45.19
CN(C(=O)CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004574476	1	30	-1.0	-50.87	267.80	5.64	-45.23
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574477	0	33	-1.0	-47.92	276.14	7.01	-40.91
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574477	1	33	-1.0	-47.90	276.29	7.01	-40.89
CCC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574478	0	35	-1.0	-46.24	286.61	7.79	-38.45
CCC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574478	1	35	-1.0	-46.32	286.48	7.81	-38.51
CN(C(=O)C1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL250004574479	0	26	-1.0	-48.26	252.48	4.75	-43.51
CN(C(=O)C1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL250004574479	1	26	-1.0	-48.17	252.62	4.73	-43.44
CCCC(CC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574480	0	41	-1.0	-48.34	303.74	7.83	-40.51
CCCC(CC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574480	1	41	-1.0	-48.47	303.60	7.86	-40.61
COC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004574481	0	33	-1.0	-42.84	265.45	1.95	-40.89
COC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004574481	1	33	-1.0	-42.85	265.31	1.98	-40.87
COC1=CC=CC=C1CC(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574482	0	39	-1.0	-35.37	292.99	6.40	-28.97
COC1=CC=CC=C1CC(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574482	1	39	-1.0	-35.45	292.81	6.41	-29.04
CN(C(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL250004574483	0	32	-1.0	-51.88	277.36	4.32	-47.56
CN(C(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL250004574483	1	32	-1.0	-51.82	277.50	4.32	-47.50
CN(C(=O)C(C)(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574484	0	41	-1.0	-32.80	314.96	8.46	-24.34
CN(C(=O)C(C)(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574484	1	41	-1.0	-32.88	314.82	8.48	-24.40
COC1=CC=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574485	0	27	-1.0	-55.83	244.54	4.53	-51.30
COC1=CC=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574485	1	27	-1.0	-55.78	244.69	4.51	-51.27
CC1=NN=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)O1	REAL250004574486	0	31	-1.0	-48.80	275.86	1.60	-47.20
CC1=NN=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)O1	REAL250004574486	1	31	-1.0	-48.68	276.00	1.60	-47.08
CC1=NN(CCCl)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574487	0	32	-1.0	-46.07	292.86	5.47	-40.60
CC1=NN(CCCl)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574487	1	32	-1.0	-46.15	292.71	5.49	-40.66
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574488	0	32	-1.0	-45.70	269.51	7.13	-38.57
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574488	1	32	-1.0	-45.77	269.38	7.15	-38.62
CCN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004574489	0	39	-1.0	-52.59	317.06	5.98	-46.61
CCN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004574489	1	39	-1.0	-52.64	316.93	6.01	-46.63
CN(C(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574490	0	28	-1.0	-51.67	258.08	6.64	-45.03
CN(C(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574490	1	28	-1.0	-51.74	257.95	6.67	-45.07
CN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004574491	0	31	-1.0	-43.93	264.06	5.61	-38.32
CN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004574491	1	31	-1.0	-43.88	264.20	5.59	-38.29
CN(C(=O)C1=C(F)C=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574492	0	23	-1.0	-47.13	228.12	5.27	-41.86
CN(C(=O)C1=C(F)C=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574492	1	23	-1.0	-47.21	227.98	5.29	-41.92
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574493	0	28	-1.0	-59.32	252.98	7.16	-52.16
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574493	1	28	-1.0	-59.25	253.12	7.16	-52.09
CCC(C(=O)N(C)C1=N[N-]N=N1)N1CCCC1=O	REAL250004574494	0	33	-1.0	-59.76	264.14	5.64	-54.12
CCC(C(=O)N(C)C1=NN=N[N-]1)N1CCCC1=O	REAL250004574494	1	33	-1.0	-59.78	264.01	5.67	-54.11
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004574495	0	32	-1.0	-43.84	280.30	4.60	-39.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004574495	1	32	-1.0	-43.76	280.44	4.58	-39.18
CC(C)C(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574496	0	44	-1.0	-47.17	316.43	8.33	-38.84
CC(C)C(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574496	1	44	-1.0	-47.25	316.30	8.35	-38.90
CCN1N=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004574497	0	29	-1.0	-44.95	271.92	4.74	-40.21
CCN1N=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004574497	1	29	-1.0	-45.03	271.77	4.77	-40.26
CN(C(=O)C1CC1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004574498	0	30	-1.0	-50.35	265.80	7.27	-43.08
CN(C(=O)C1CC1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004574498	1	30	-1.0	-50.42	265.66	7.30	-43.12
CN(C(=O)C1=C(C2CCCO2)OC=N1)C1=NN=N[N-]1	REAL250004574499	0	30	-1.0	-48.49	255.57	2.02	-46.47
CN(C(=O)C1=C(C2CCCO2)OC=N1)C1=N[N-]N=N1	REAL250004574499	1	30	-1.0	-48.42	255.72	2.01	-46.41
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004574500	0	32	-1.0	-47.20	271.11	7.28	-39.92
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004574500	1	32	-1.0	-47.29	270.98	7.29	-40.00
CCC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574501	0	41	-1.0	-33.26	301.82	7.90	-25.36
CCC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574501	1	41	-1.0	-33.34	301.63	7.91	-25.43
CC1=NC(CCC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004574502	0	28	-1.0	-46.96	257.51	4.50	-42.46
CC1=NC(CCC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004574502	1	28	-1.0	-47.02	257.37	4.52	-42.50
CN(C(=O)CC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574503	0	33	-1.0	-50.97	267.52	7.74	-43.23
CN(C(=O)CC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574503	1	33	-1.0	-51.06	267.39	7.76	-43.30
CC1CCCC(OCC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574504	0	36	-1.0	-49.87	287.16	6.57	-43.30
CC1CCCC(OCC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574504	1	36	-1.0	-49.96	287.02	6.59	-43.37
CC1=CC=CC=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574505	0	35	-1.0	-45.97	282.13	7.74	-38.23
CC1=CC=CC=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574505	1	35	-1.0	-46.07	281.99	7.76	-38.31
CN(C(=O)C1=CC=CC=C1OC1CCC1)C1=NN=N[N-]1	REAL250004574506	0	34	-1.0	-55.21	277.41	7.59	-47.62
CN(C(=O)C1=CC=CC=C1OC1CCC1)C1=N[N-]N=N1	REAL250004574506	1	34	-1.0	-55.13	277.55	7.58	-47.55
CN(C(=O)C1CSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574507	0	28	-1.0	-46.35	247.12	6.56	-39.79
CN(C(=O)C1CSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574507	1	28	-1.0	-46.25	247.22	6.53	-39.72
CN(C(=O)C1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004574508	0	29	-1.0	-34.83	243.83	1.36	-33.47
CN(C(=O)C1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004574508	1	29	-1.0	-34.89	243.68	1.38	-33.51
CN(C(=O)C1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004574509	0	26	-1.0	-51.20	249.90	0.99	-50.21
CN(C(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004574509	1	26	-1.0	-51.27	249.75	1.02	-50.25
CN(C(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574510	0	33	-1.0	-29.97	269.98	6.33	-23.64
CN(C(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574510	1	33	-1.0	-30.02	269.85	6.32	-23.70
CC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574511	0	38	-1.0	-46.80	282.87	7.16	-39.64
CC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574511	1	38	-1.0	-46.90	282.73	7.20	-39.70
CC1=CC=C(N2CCCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574512	0	38	-1.0	-52.54	298.19	6.24	-46.30
CC1=CC=C(N2CCCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574512	1	38	-1.0	-52.47	298.34	6.21	-46.26
CC1=NOC(COCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574513	0	28	-1.0	-57.24	255.91	1.94	-55.30
CC1=NOC(COCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574513	1	28	-1.0	-57.34	255.78	1.96	-55.38
CCC(CC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574514	0	38	-1.0	-47.49	286.14	7.26	-40.23
CCC(CC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574514	1	38	-1.0	-47.58	286.01	7.29	-40.29
CCC(OC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574515	0	36	-1.0	-50.17	278.31	6.33	-43.84
CCC(OC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574515	1	36	-1.0	-50.26	278.18	6.36	-43.90
CC(OC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574516	0	36	-1.0	-49.66	279.50	6.37	-43.29
CC(OC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574516	1	36	-1.0	-49.71	279.36	6.39	-43.32
CN(C(=O)CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL250004574517	0	31	-1.0	-52.32	280.57	5.98	-46.34
CN(C(=O)CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL250004574517	1	31	-1.0	-52.40	280.43	6.01	-46.39
CCCCCCC(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004574518	0	40	-1.0	-47.19	312.48	7.85	-39.34
CCCCCCC(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004574518	1	40	-1.0	-47.24	312.34	7.87	-39.37
CN(C(=O)C1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL250004574519	0	37	-1.0	-54.52	297.89	8.01	-46.51
CN(C(=O)C1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL250004574519	1	37	-1.0	-54.45	298.04	8.00	-46.45
CN(C(=O)CN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574520	0	34	-1.0	-54.21	285.02	6.62	-47.59
CN(C(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574520	1	34	-1.0	-54.26	284.89	6.64	-47.62
CN(C(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574521	0	36	-1.0	-50.79	299.56	9.40	-41.39
CN(C(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574521	1	36	-1.0	-50.87	299.42	9.41	-41.46
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574522	0	33	-1.0	-33.19	269.46	5.88	-27.31
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574522	1	33	-1.0	-33.23	269.32	5.90	-27.33
CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(C)C)=N1	REAL250004574523	0	33	-1.0	-43.30	276.11	4.85	-38.45
CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(C)C)=N1	REAL250004574523	1	33	-1.0	-43.20	276.25	4.84	-38.36
CCC(SC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574524	0	33	-1.0	-46.97	283.99	7.53	-39.44
CCC(SC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574524	1	33	-1.0	-47.03	283.87	7.55	-39.48
CN(C(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004574525	0	32	-1.0	-55.94	283.92	7.12	-48.82
CN(C(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004574525	1	32	-1.0	-55.83	284.05	7.09	-48.74
CC1=CC=C(C2=C(C(=O)N(C)C3=NN=N[N-]3)N=CO2)C=C1	REAL250004574526	0	32	-1.0	-52.71	281.95	3.89	-48.82
CC1=CC=C(C2=C(C(=O)N(C)C3=N[N-]N=N3)N=CO2)C=C1	REAL250004574526	1	32	-1.0	-52.65	282.09	3.88	-48.77
CN(C(=O)C1CC12CCOC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004574527	0	35	-1.0	-52.15	280.71	6.97	-45.18
CN(C(=O)C1CC12CCOC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004574527	1	35	-1.0	-52.24	280.55	6.97	-45.27
CN(C(=O)C1=CN(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL250004574528	0	36	-1.0	-46.75	286.22	5.95	-40.80
CN(C(=O)C1=CN(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL250004574528	1	36	-1.0	-46.64	286.36	5.92	-40.72
CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004574529	0	36	-1.0	-52.99	295.26	4.95	-48.04
CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004574529	1	36	-1.0	-53.05	295.12	4.97	-48.08
CNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574530	0	30	-1.0	-60.00	259.44	3.19	-56.81
CNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574530	1	30	-1.0	-59.89	259.58	3.20	-56.69
CC1=CC=CC(Cl)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004574531	0	30	-1.0	-50.80	278.83	7.23	-43.57
CC1=CC=CC(Cl)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004574531	1	30	-1.0	-50.88	278.69	7.25	-43.63
CC1=C(C)N(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)S1	REAL250004574532	0	32	-1.0	-49.71	281.98	5.14	-44.57
CC1=C(C)N(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)S1	REAL250004574532	1	32	-1.0	-49.81	281.85	5.17	-44.64
CN(C(=O)C1(C2=CC=CC(F)=C2)CC1)C1=N[N-]N=N1	REAL250004574533	0	30	-1.0	-46.26	260.33	6.90	-39.36
CN(C(=O)C1(C2=CC=CC(F)=C2)CC1)C1=NN=N[N-]1	REAL250004574533	1	30	-1.0	-46.35	260.20	6.93	-39.42
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC	REAL250004574534	0	31	-1.0	-46.84	262.98	4.03	-42.81
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC	REAL250004574534	1	31	-1.0	-46.77	263.12	4.01	-42.76
CN(C(=O)CCC1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004574535	0	26	-1.0	-44.95	258.37	6.38	-38.57
CN(C(=O)CCC1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004574535	1	26	-1.0	-45.04	258.23	6.41	-38.63
CC(C)=CCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574536	0	37	-1.0	-51.39	305.95	7.15	-44.24
CC(C)=CCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574536	1	37	-1.0	-51.28	306.08	7.17	-44.11
CN(C(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL250004574537	0	32	-1.0	-52.85	282.91	3.34	-49.51
CN(C(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL250004574537	1	32	-1.0	-52.80	283.05	3.35	-49.45
CN(C(=O)CC1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004574538	0	30	-1.0	-53.37	268.13	6.12	-47.25
CN(C(=O)CC1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004574538	1	30	-1.0	-53.30	268.27	6.08	-47.22
CN(C(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL250004574539	0	29	-1.0	-52.22	265.52	5.55	-46.67
CN(C(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL250004574539	1	29	-1.0	-52.12	265.66	5.52	-46.60
CC(C)C1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574540	0	32	-1.0	-45.72	291.78	5.16	-40.56
CC(C)C1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574540	1	32	-1.0	-45.81	291.64	5.18	-40.63
CN(C(=O)CC1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574541	0	34	-1.0	-50.17	278.37	6.87	-43.30
CN(C(=O)CC1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574541	1	34	-1.0	-50.19	278.23	6.89	-43.30
CN(C(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL250004574542	0	29	-1.0	-43.96	265.20	6.13	-37.83
CN(C(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL250004574542	1	29	-1.0	-43.85	265.35	6.10	-37.75
CN(C(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL250004574543	0	29	-1.0	-47.29	258.54	6.43	-40.86
CN(C(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL250004574543	1	29	-1.0	-47.19	258.68	6.41	-40.78
CN(C(=O)C1(C2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004574544	0	30	-1.0	-56.26	258.25	6.81	-49.45
CN(C(=O)C1(C2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004574544	1	30	-1.0	-56.35	258.11	6.82	-49.53
COC1=CC=C(COCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574545	0	37	-1.0	-46.84	314.79	5.37	-41.47
COC1=CC=C(COCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574545	1	37	-1.0	-46.93	314.66	5.40	-41.53
CN(C(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NN=N[N-]1	REAL250004574546	0	29	-1.0	-57.50	258.11	5.43	-52.07
CN(C(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=N[N-]N=N1	REAL250004574546	1	29	-1.0	-57.44	258.25	5.41	-52.03
CN(C(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004574547	0	29	-1.0	-44.25	266.17	4.14	-40.11
CN(C(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004574547	1	29	-1.0	-44.17	266.31	4.15	-40.02
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004574548	0	40	-1.0	-50.25	316.09	5.12	-45.13
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004574548	1	40	-1.0	-50.31	315.95	5.13	-45.18
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574549	0	25	-1.0	-43.90	248.06	6.12	-37.78
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574549	1	25	-1.0	-43.99	247.92	6.11	-37.88
CC1=CC=C(N(C)C(C)C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574550	0	40	-1.0	-51.44	315.09	6.87	-44.57
CC1=CC=C(N(C)C(C)C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574550	1	40	-1.0	-51.35	315.31	6.86	-44.49
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL250004574551	0	29	-1.0	-42.81	267.58	5.31	-37.50
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL250004574551	1	29	-1.0	-42.71	267.72	5.29	-37.42
CC(C)C1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574552	0	41	-1.0	-45.91	324.93	9.14	-36.77
CC(C)C1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574552	1	41	-1.0	-46.00	324.79	9.15	-36.85
CC1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574553	0	24	-1.0	-43.85	228.97	4.44	-39.41
CC1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574553	1	24	-1.0	-43.90	228.84	4.45	-39.45
CC(CC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574554	0	32	-1.0	-48.19	268.46	7.02	-41.17
CC(CC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574554	1	32	-1.0	-48.30	268.32	7.05	-41.25
CC1=C(Cl)C=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004574555	0	30	-1.0	-50.89	272.90	6.99	-43.90
CC1=C(Cl)C=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004574555	1	30	-1.0	-50.94	272.77	7.02	-43.92
CN(C(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004574556	0	29	-1.0	-49.94	266.56	4.16	-45.78
CN(C(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004574556	1	29	-1.0	-49.90	266.70	4.17	-45.73
CN(C(=O)C(C)(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004574557	0	32	-1.0	-45.72	259.19	6.70	-39.02
CN(C(=O)C(C)(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004574557	1	32	-1.0	-45.80	259.05	6.70	-39.10
CC(C)CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574558	0	38	-1.0	-47.89	303.45	8.22	-39.67
CC(C)CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574558	1	38	-1.0	-47.95	303.31	8.25	-39.70
CN(C(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004574559	0	29	-1.0	-46.09	262.30	4.73	-41.36
CN(C(=O)C1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004574559	1	29	-1.0	-46.01	262.44	4.71	-41.30
CSC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574560	0	30	-1.0	-47.31	260.30	6.78	-40.53
CSC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574560	1	30	-1.0	-47.23	260.44	6.77	-40.46
CN(C(=O)CC1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL250004574561	0	29	-1.0	-54.58	276.50	4.97	-49.61
CN(C(=O)CC1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL250004574561	1	29	-1.0	-54.48	276.64	4.94	-49.54
CN(C(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NN=N[N-]1	REAL250004574562	0	31	-1.0	-48.22	283.97	3.41	-44.81
CN(C(=O)CCC1=NC(C2=COC=C2)=NO1)C1=N[N-]N=N1	REAL250004574562	1	31	-1.0	-48.12	284.11	3.38	-44.74
CN(C(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004574563	0	29	-1.0	-47.27	258.54	5.47	-41.80
CN(C(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004574563	1	29	-1.0	-47.25	258.68	5.46	-41.79
CN(C(=O)C1CC2COCC(C1)C2=O)C1=N[N-]N=N1	REAL250004574564	0	33	-1.0	-47.64	253.68	4.93	-42.71
CN(C(=O)C1CC2COCC(C1)C2=O)C1=NN=N[N-]1	REAL250004574564	1	33	-1.0	-47.76	253.54	4.94	-42.82
CN(C(=O)C(C)(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574565	0	35	-1.0	-32.69	267.78	6.75	-25.94
CN(C(=O)C(C)(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574565	1	35	-1.0	-32.73	267.61	6.75	-25.98
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004574566	0	28	-1.0	-48.38	272.32	7.06	-41.32
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004574566	1	28	-1.0	-48.47	272.19	7.09	-41.38
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CN(C(=O)C1=CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL250004574570	0	26	-1.0	-43.13	239.93	5.87	-37.26
CN(C(=O)C1=CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL250004574570	1	26	-1.0	-43.00	240.07	5.86	-37.14
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004574571	0	34	-1.0	-51.14	281.01	7.53	-43.61
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004574571	1	34	-1.0	-51.21	280.88	7.54	-43.67
CN(C(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004574572	0	32	-1.0	-45.03	283.99	6.41	-38.62
CN(C(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004574572	1	32	-1.0	-44.96	284.12	6.39	-38.57
CN(C(=O)C1=CC=NC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004574573	0	36	-1.0	-44.54	291.74	6.88	-37.66
CN(C(=O)C1=CC=NC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004574573	1	36	-1.0	-44.48	291.88	6.87	-37.61
CC1=NOC(C)=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574574	0	34	-1.0	-45.58	273.88	5.52	-40.06
CC1=NOC(C)=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574574	1	34	-1.0	-45.60	273.74	5.55	-40.05
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2C=C1	REAL250004574575	0	31	-1.0	-60.96	266.19	6.15	-54.81
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2C=C1	REAL250004574575	1	31	-1.0	-60.91	266.33	6.15	-54.76
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004574576	0	29	-1.0	-57.93	251.85	7.01	-50.92
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004574576	1	29	-1.0	-57.84	252.01	6.99	-50.85
CN(C(=O)C1CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL250004574577	0	28	-1.0	-48.64	247.79	6.09	-42.55
CN(C(=O)C1CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL250004574577	1	28	-1.0	-48.70	247.66	6.12	-42.58
CC(CCC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574578	0	35	-1.0	-33.40	291.00	8.26	-25.14
CC(CCC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574578	1	35	-1.0	-33.45	290.90	8.26	-25.19
CN(C(=O)C1=CC=CC=C1CN1C=CC=N1)C1=NN=N[N-]1	REAL250004574579	0	33	-1.0	-55.51	283.76	6.59	-48.92
CN(C(=O)C1=CC=CC=C1CN1C=CC=N1)C1=N[N-]N=N1	REAL250004574579	1	33	-1.0	-55.44	283.90	6.59	-48.85
CSC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574580	0	34	-1.0	-50.16	293.62	7.27	-42.89
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CCCNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574581	0	36	-1.0	-59.38	302.43	4.79	-54.59
CCCNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574581	1	36	-1.0	-59.21	302.57	4.80	-54.41
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL250004574582	0	32	-1.0	-50.60	271.57	8.38	-42.22
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL250004574582	1	32	-1.0	-50.57	271.71	8.37	-42.20
CC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL250004574583	0	31	-1.0	-57.29	275.92	1.56	-55.73
CC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL250004574583	1	31	-1.0	-57.21	276.05	1.57	-55.64
CN(C(=O)CCCOC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004574584	0	32	-1.0	-51.79	275.98	4.61	-47.18
CN(C(=O)CCCOC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004574584	1	32	-1.0	-51.69	276.11	4.58	-47.11
CCC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574585	0	38	-1.0	-46.02	307.59	8.65	-37.37
CCC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574585	1	38	-1.0	-46.11	307.46	8.66	-37.45
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004574586	0	38	-1.0	-46.03	305.81	8.52	-37.51
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004574586	1	38	-1.0	-46.07	305.67	8.55	-37.52
CN(C(=O)C1(C2=CC=CS2)CCCCC1)C1=N[N-]N=N1	REAL250004574587	0	36	-1.0	-47.40	281.53	7.28	-40.12
CN(C(=O)C1(C2=CC=CS2)CCCCC1)C1=NN=N[N-]1	REAL250004574587	1	36	-1.0	-47.45	281.40	7.29	-40.16
COC1=CC=C(C(=O)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574588	0	29	-1.0	-44.17	261.07	4.29	-39.88
COC1=CC=C(C(=O)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574588	1	29	-1.0	-44.12	261.19	4.29	-39.83
CC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004574589	0	33	-1.0	-52.38	282.87	6.70	-45.68
CC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004574589	1	33	-1.0	-52.31	283.00	6.67	-45.64
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CCC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004574590	1	36	-1.0	-45.42	298.84	8.68	-36.74
CC(C)CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004574591	0	34	-1.0	-45.93	285.33	4.83	-41.10
CC(C)CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004574591	1	34	-1.0	-45.86	285.47	4.81	-41.05
CC1=C2NC=C(CCC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004574592	0	36	-1.0	-49.37	304.40	7.48	-41.89
CC1=C2NC=C(CCC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004574592	1	36	-1.0	-49.48	304.27	7.51	-41.97
CC(C(=O)N(C)C1=N[N-]N=N1)N(C)CC1=CC=CC=C1	REAL250004574593	0	37	-1.0	-48.68	288.32	5.14	-43.54
CC(C(=O)N(C)C1=NN=N[N-]1)N(C)CC1=CC=CC=C1	REAL250004574593	1	37	-1.0	-48.78	288.19	5.17	-43.61
CCCCCCCCOCC(=O)N(C)C1=N[N-]N=N1	REAL250004574594	0	41	-1.0	-49.76	333.42	8.00	-41.76
CCCCCCCCOCC(=O)N(C)C1=NN=N[N-]1	REAL250004574594	1	41	-1.0	-49.91	333.29	8.03	-41.88
CN(C(=O)C1=C(CCC(F)(F)F)OC=N1)C1=NN=N[N-]1	REAL250004574595	0	28	-1.0	-47.76	260.33	3.68	-44.08
CN(C(=O)C1=C(CCC(F)(F)F)OC=N1)C1=N[N-]N=N1	REAL250004574595	1	28	-1.0	-47.72	260.46	3.65	-44.07
CCC(CC)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574596	0	38	-1.0	-32.25	274.55	7.23	-25.02
CCC(CC)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574596	1	38	-1.0	-32.23	274.45	7.16	-25.07
CN(C(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=N[N-]N=N1	REAL250004574597	0	31	-1.0	-50.77	279.48	3.95	-46.82
CN(C(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NN=N[N-]1	REAL250004574597	1	31	-1.0	-50.80	279.33	3.98	-46.82
CC1=C(C)C=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004574598	0	32	-1.0	-45.02	271.70	7.02	-38.00
CC1=C(C)C=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004574598	1	32	-1.0	-44.93	271.84	7.00	-37.93
CC(CCC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574599	0	35	-1.0	-51.15	289.59	7.82	-43.33
CC(CCC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574599	1	35	-1.0	-51.24	289.45	7.85	-43.39
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004574600	0	32	-1.0	-36.92	273.04	7.33	-29.59
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004574600	1	32	-1.0	-36.99	272.88	7.35	-29.64
CCCCCCC(C)(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004574601	0	43	-1.0	-31.38	312.07	7.63	-23.75
CCCCCCC(C)(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004574601	1	43	-1.0	-31.44	311.93	7.62	-23.82
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004574602	0	29	-1.0	-44.04	252.30	6.31	-37.73
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004574602	1	29	-1.0	-44.12	252.17	6.33	-37.79
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004574603	0	29	-1.0	-50.65	253.57	6.35	-44.30
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004574603	1	29	-1.0	-50.73	253.43	6.37	-44.36
CC1=NOC(C(F)(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574604	0	25	-1.0	-39.95	246.69	4.41	-35.54
CC1=NOC(C(F)(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574604	1	25	-1.0	-39.97	246.55	4.43	-35.54
CCCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574605	0	28	-1.0	-45.46	251.69	4.32	-41.14
CCCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574605	1	28	-1.0	-45.56	251.54	4.34	-41.22
CN(C(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=N[N-]N=N1	REAL250004574606	0	40	-1.0	-51.72	302.91	4.27	-47.45
CN(C(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NN=N[N-]1	REAL250004574606	1	40	-1.0	-51.78	302.78	4.29	-47.49
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004574607	0	29	-1.0	-45.84	257.60	6.73	-39.11
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004574607	1	29	-1.0	-45.91	257.46	6.76	-39.15
CCC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)O2)C=C1	REAL250004574608	0	36	-1.0	-45.75	308.80	8.63	-37.12
CCC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)O2)C=C1	REAL250004574608	1	36	-1.0	-45.74	308.95	8.60	-37.14
CN(C(=O)C1(C)CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004574609	0	36	-1.0	-46.29	273.22	7.44	-38.85
CN(C(=O)C1(C)CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004574609	1	36	-1.0	-46.38	273.09	7.47	-38.91
CN(C(=O)C1=CC=C(OC2CCC2)C=C1)C1=NN=N[N-]1	REAL250004574610	0	34	-1.0	-47.01	279.49	6.51	-40.50
CN(C(=O)C1=CC=C(OC2CCC2)C=C1)C1=N[N-]N=N1	REAL250004574610	1	34	-1.0	-46.95	279.62	6.49	-40.46
CN(C(=O)C1=CN=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004574611	0	25	-1.0	-45.96	234.46	4.40	-41.56
CN(C(=O)C1=CN=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004574611	1	25	-1.0	-45.96	234.61	4.38	-41.58
CC1=CC=C(Br)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574612	0	26	-1.0	-44.78	243.31	6.21	-38.57
CC1=CC=C(Br)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574612	1	26	-1.0	-44.84	243.17	6.23	-38.61
CN(C(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004574613	0	38	-1.0	-50.20	298.33	8.91	-41.29
CN(C(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004574613	1	38	-1.0	-50.13	298.46	8.90	-41.23
CN(C(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004574614	0	34	-1.0	-55.00	293.56	8.27	-46.73
CN(C(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004574614	1	34	-1.0	-54.92	293.71	8.25	-46.67
CC1=NOC(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574615	0	31	-1.0	-58.11	272.25	5.19	-52.92
CC1=NOC(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574615	1	31	-1.0	-58.04	272.38	5.20	-52.84
CN(C(=O)C1CCSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574616	0	31	-1.0	-48.05	266.21	7.10	-40.95
CN(C(=O)C1CCSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574616	1	31	-1.0	-48.03	266.08	7.11	-40.92
CN(C(=O)C1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004574617	0	23	-1.0	-50.45	220.05	5.44	-45.01
CN(C(=O)C1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004574617	1	23	-1.0	-50.36	220.19	5.45	-44.91
CCOC1=C(F)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574618	0	30	-1.0	-52.07	264.75	5.97	-46.10
CCOC1=C(F)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574618	1	30	-1.0	-52.00	264.90	5.95	-46.05
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004574619	0	33	-1.0	-58.81	285.74	6.73	-52.08
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004574619	1	33	-1.0	-58.86	285.60	6.75	-52.11
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL250004574620	0	34	-1.0	-48.12	277.70	7.59	-40.53
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL250004574620	1	34	-1.0	-48.01	277.84	7.60	-40.41
CC(C(=O)N(C)C1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004574621	0	34	-1.0	-54.05	295.18	5.32	-48.73
CC(C(=O)N(C)C1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004574621	1	34	-1.0	-54.19	295.05	5.35	-48.84
COCCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574622	0	37	-1.0	-52.98	308.75	5.01	-47.97
COCCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574622	1	37	-1.0	-53.03	308.61	5.00	-48.03
CC1=NN(C)C(C)=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574623	0	38	-1.0	-48.64	300.08	5.58	-43.06
CC1=NN(C)C(C)=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574623	1	38	-1.0	-48.72	299.94	5.61	-43.11
CN(C(=O)C1=CC2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL250004574624	0	26	-1.0	-46.01	240.31	5.87	-40.14
CN(C(=O)C1=CC2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL250004574624	1	26	-1.0	-45.93	240.46	5.85	-40.08
CN(C(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL250004574625	0	28	-1.0	-44.07	257.41	4.49	-39.58
CN(C(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL250004574625	1	28	-1.0	-43.99	257.55	4.49	-39.50
CN(C(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004574626	0	36	-1.0	-53.72	304.67	4.64	-49.08
CN(C(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004574626	1	36	-1.0	-53.63	304.81	4.61	-49.02
CN(C(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NN=N[N-]1	REAL250004574627	0	29	-1.0	-55.96	265.53	5.62	-50.34
CN(C(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=N[N-]N=N1	REAL250004574627	1	29	-1.0	-55.89	265.67	5.62	-50.27
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL250004574628	0	35	-1.0	-44.38	291.39	5.99	-38.39
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL250004574628	1	35	-1.0	-44.53	291.25	6.02	-38.51
CN(C(=O)C1CC12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004574629	0	37	-1.0	-53.58	288.74	8.89	-44.69
CN(C(=O)C1CC12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004574629	1	37	-1.0	-53.68	288.59	8.88	-44.80
CCCCCCC(C)(CCC)C(=O)N(C)C1=N[N-]N=N1	REAL250004574630	0	46	-1.0	-31.62	333.87	8.25	-23.37
CCCCCCC(C)(CCC)C(=O)N(C)C1=NN=N[N-]1	REAL250004574630	1	46	-1.0	-31.73	333.68	8.26	-23.47
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004574631	0	35	-1.0	-45.43	300.34	8.07	-37.36
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004574631	1	35	-1.0	-45.53	300.21	8.10	-37.43
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004574632	0	37	-1.0	-50.23	299.60	5.42	-44.81
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004574632	1	37	-1.0	-50.33	299.46	5.45	-44.88
CC1=CC2=C(C=C1C)OC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004574633	0	34	-1.0	-51.04	279.21	7.21	-43.83
CC1=CC2=C(C=C1C)OC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004574633	1	34	-1.0	-51.09	279.08	7.22	-43.87
CN(C(=O)C1=CC=C(F)C=C1OC(F)F)C1=N[N-]N=N1	REAL250004574634	0	27	-1.0	-47.72	249.57	5.13	-42.59
CN(C(=O)C1=CC=C(F)C=C1OC(F)F)C1=NN=N[N-]1	REAL250004574634	1	27	-1.0	-47.81	249.43	5.15	-42.66
CN(C(=O)C1CC1C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004574635	0	30	-1.0	-45.89	260.81	7.29	-38.60
CN(C(=O)C1CC1C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004574635	1	30	-1.0	-46.00	260.67	7.31	-38.69
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574636	0	35	-1.0	-48.55	283.47	7.59	-40.96
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574636	1	35	-1.0	-48.44	283.61	7.56	-40.88
CN(C(=O)CCCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004574637	0	35	-1.0	-47.43	310.99	8.86	-38.57
CN(C(=O)CCCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004574637	1	35	-1.0	-47.51	310.86	8.89	-38.62
CCCOC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574638	0	39	-1.0	-46.84	324.12	7.81	-39.03
CCCOC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574638	1	39	-1.0	-46.91	323.98	7.83	-39.08
CN(C(=O)CC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004574639	0	26	-1.0	-48.16	241.69	6.08	-42.08
CN(C(=O)CC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004574639	1	26	-1.0	-48.24	241.55	6.11	-42.13
CCC(OC1=CC=CC(C)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574640	0	36	-1.0	-33.64	286.87	7.67	-25.97
CCC(OC1=CC=CC(C)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574640	1	36	-1.0	-33.71	286.75	7.69	-26.02
CN(C(=O)C1SCCC2=C1C=CS2)C1=N[N-]N=N1	REAL250004574641	0	28	-1.0	-48.52	258.21	6.38	-42.14
CN(C(=O)C1SCCC2=C1C=CS2)C1=NN=N[N-]1	REAL250004574641	1	28	-1.0	-48.61	258.07	6.40	-42.21
CN(C(=O)C(C)(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574642	0	33	-1.0	-32.71	252.92	5.85	-26.86
CN(C(=O)C(C)(C)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574642	1	33	-1.0	-32.77	252.78	5.84	-26.93
CN(C(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL250004574643	0	26	-1.0	-57.14	240.29	-1.02	-58.16
CN(C(=O)C1=CN(CC(N)=O)N=N1)C1=N[N-]N=N1	REAL250004574643	1	26	-1.0	-57.04	240.43	-1.05	-58.09
CN(C(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL250004574644	0	29	-1.0	-46.93	274.90	4.89	-42.04
CN(C(=O)C1=CN(CC2=CC=CS2)N=N1)C1=N[N-]N=N1	REAL250004574644	1	29	-1.0	-46.80	275.04	4.87	-41.93
CN(C(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004574645	0	39	-1.0	-33.20	295.67	8.94	-24.26
CN(C(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004574645	1	39	-1.0	-33.25	295.53	8.96	-24.29
C#CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574646	0	29	-1.0	-49.32	258.68	5.69	-43.63
C#CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574646	1	29	-1.0	-49.24	258.82	5.68	-43.56
CC(C)CC(=O)NCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574647	0	35	-1.0	-56.04	289.18	3.46	-52.58
CC(C)CC(=O)NCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574647	1	35	-1.0	-56.11	289.05	3.50	-52.61
CC(CSC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574648	0	26	-1.0	-43.82	246.80	5.10	-38.72
CC(CSC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574648	1	26	-1.0	-43.92	246.66	5.14	-38.78
CN(C(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574649	0	31	-1.0	-50.72	266.28	7.25	-43.47
CN(C(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574649	1	31	-1.0	-50.59	266.41	7.23	-43.36
CN(C(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574650	0	35	-1.0	-49.51	302.72	8.99	-40.52
CN(C(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574650	1	35	-1.0	-49.61	302.59	9.02	-40.59
CN(C(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL250004574651	0	33	-1.0	-56.29	282.20	6.20	-50.09
CN(C(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL250004574651	1	33	-1.0	-56.26	282.34	6.20	-50.06
CCC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004574652	0	33	-1.0	-44.92	290.48	8.39	-36.53
CCC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004574652	1	33	-1.0	-44.99	290.34	8.38	-36.61
CC1=CC=C2C(CCC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004574653	0	36	-1.0	-49.25	304.55	7.50	-41.75
CC1=CC=C2C(CCC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004574653	1	36	-1.0	-49.30	304.41	7.52	-41.78
CN(C(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004574654	0	28	-1.0	-53.21	243.43	5.43	-47.78
CN(C(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004574654	1	28	-1.0	-53.36	242.84	5.38	-47.98
CCOC(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574655	0	32	-1.0	-46.22	284.45	3.51	-42.71
CCOC(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574655	1	32	-1.0	-46.27	284.30	3.53	-42.74
COCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574656	0	33	-1.0	-46.16	284.64	1.75	-44.41
COCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574656	1	33	-1.0	-46.10	284.77	1.76	-44.34
CC1=C(Br)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574657	0	26	-1.0	-46.00	240.46	6.08	-39.92
CC1=C(Br)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574657	1	26	-1.0	-46.04	240.32	6.09	-39.95
CCC(OC1CCCC(C)C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574658	0	42	-1.0	-32.82	315.54	7.67	-25.15
CCC(OC1CCCC(C)C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574658	1	42	-1.0	-32.85	315.40	7.68	-25.17
CC(CCOC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574659	0	36	-1.0	-50.90	292.48	6.60	-44.30
CC(CCOC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574659	1	36	-1.0	-50.93	292.34	6.64	-44.29
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Br	REAL250004574660	0	26	-1.0	-45.01	242.57	6.11	-38.90
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Br	REAL250004574660	1	26	-1.0	-45.11	242.43	6.10	-39.01
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL250004574661	0	26	-1.0	-52.79	247.98	6.03	-46.76
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL250004574661	1	26	-1.0	-52.85	247.84	6.04	-46.81
CN(C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004574662	0	23	-1.0	-49.91	218.76	5.08	-44.83
CN(C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004574662	1	23	-1.0	-49.97	218.63	5.07	-44.90
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC2=CC=CC=C21	REAL250004574663	0	31	-1.0	-57.62	273.01	6.90	-50.72
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC2=CC=CC=C21	REAL250004574663	1	31	-1.0	-57.56	273.15	6.90	-50.66
CN(C(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004574664	0	30	-1.0	-48.74	267.31	7.35	-41.39
CN(C(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004574664	1	30	-1.0	-48.86	267.18	7.38	-41.48
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(Cl)=N1	REAL250004574665	0	22	-1.0	-40.69	221.34	3.12	-37.57
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(Cl)=N1	REAL250004574665	1	22	-1.0	-40.83	221.38	3.12	-37.71
CN(C(=O)C1=C(C(C)(C)C)N=CS1)C1=NN=N[N-]1	REAL250004574666	0	31	-1.0	-45.43	263.52	5.28	-40.15
CN(C(=O)C1=C(C(C)(C)C)N=CS1)C1=N[N-]N=N1	REAL250004574666	1	31	-1.0	-45.32	263.66	5.29	-40.03
CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004574667	0	32	-1.0	-50.80	280.10	2.65	-48.15
CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004574667	1	32	-1.0	-50.91	279.96	2.67	-48.24
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574668	0	42	-1.0	-35.54	323.27	5.81	-29.73
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574668	1	42	-1.0	-35.63	323.12	5.84	-29.79
CC(C)C1=NN=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574669	0	30	-1.0	-54.28	261.82	3.36	-50.92
CC(C)C1=NN=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574669	1	30	-1.0	-54.34	261.69	3.39	-50.95
CN(C(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL250004574670	0	29	-1.0	-49.72	264.12	6.39	-43.33
CN(C(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL250004574670	1	29	-1.0	-49.82	263.98	6.43	-43.39
CN(C(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL250004574671	0	22	-1.0	-42.62	218.45	3.54	-39.08
CN(C(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL250004574671	1	22	-1.0	-42.56	218.58	3.55	-39.01
CN(C(=O)C1=C(F)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL250004574672	0	23	-1.0	-46.62	234.29	5.32	-41.30
CN(C(=O)C1=C(F)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL250004574672	1	23	-1.0	-46.69	234.15	5.34	-41.35
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004574673	0	26	-1.0	-30.13	249.56	6.35	-23.78
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004574673	1	26	-1.0	-30.16	249.40	6.36	-23.80
CCC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574674	0	38	-1.0	-50.09	295.68	8.31	-41.78
CCC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574674	1	38	-1.0	-50.23	295.55	8.31	-41.92
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL250004574675	0	31	-1.0	-47.35	270.43	4.67	-42.68
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL250004574675	1	31	-1.0	-47.30	270.56	4.67	-42.63
CN(C(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004574676	0	37	-1.0	-52.67	311.37	7.24	-45.43
CN(C(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004574676	1	37	-1.0	-52.72	311.24	7.26	-45.46
CCC(OC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574677	0	33	-1.0	-55.08	274.40	6.87	-48.21
CCC(OC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574677	1	33	-1.0	-55.16	274.27	6.88	-48.28
CN(C(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004574678	0	30	-1.0	-47.26	260.82	7.02	-40.24
CN(C(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004574678	1	30	-1.0	-47.19	260.97	7.00	-40.19
CC1=CC(CCCC(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004574679	0	35	-1.0	-49.30	302.49	7.95	-41.35
CC1=CC(CCCC(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004574679	1	35	-1.0	-49.43	302.36	7.99	-41.44
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004574680	0	35	-1.0	-34.67	285.72	8.85	-25.82
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004574680	1	35	-1.0	-34.61	285.85	8.83	-25.78
CCN(CC)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574681	1	40	-1.0	-47.54	309.24	6.17	-41.37
CCN(CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574681	1	40	-1.0	-47.62	309.12	6.19	-41.43
CC1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004574682	0	28	-1.0	-53.65	254.80	7.17	-46.48
CC1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004574682	1	28	-1.0	-53.60	254.95	7.18	-46.42
CN(C(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL250004574683	0	26	-1.0	-45.19	250.64	6.31	-38.88
CN(C(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL250004574683	1	26	-1.0	-45.13	250.78	6.30	-38.83
CCC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574684	0	36	-1.0	-47.04	291.28	6.56	-40.48
CCC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574684	1	36	-1.0	-46.94	291.43	6.56	-40.38
CN(C(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL250004574685	0	28	-1.0	-47.32	247.30	4.10	-43.22
CN(C(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL250004574685	1	28	-1.0	-47.26	247.44	4.09	-43.17
CN(C(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL250004574686	0	34	-1.0	-45.34	278.48	3.30	-42.04
CN(C(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL250004574686	1	34	-1.0	-45.41	278.34	3.34	-42.07
COC1=CC=CC(C(C)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574687	0	36	-1.0	-48.42	294.20	6.49	-41.93
COC1=CC=CC(C(C)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574687	1	36	-1.0	-48.47	294.07	6.50	-41.97
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004574688	0	31	-1.0	-44.46	276.49	7.23	-37.23
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004574688	1	31	-1.0	-44.53	276.35	7.22	-37.31
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL250004574689	0	31	-1.0	-46.54	260.13	5.77	-40.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL250004574689	1	31	-1.0	-46.44	260.26	5.77	-40.67
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(F)C=C1F	REAL250004574690	0	26	-1.0	-47.32	236.57	5.71	-41.61
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(F)C=C1F	REAL250004574690	1	26	-1.0	-47.25	236.71	5.71	-41.54
CC1=CC=C2NC=C(CCC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004574691	0	36	-1.0	-49.41	304.54	7.50	-41.91
CC1=CC=C2NC=C(CCC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004574691	1	36	-1.0	-49.45	304.41	7.54	-41.91
CC1=NOC(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574692	0	25	-1.0	-45.71	241.48	4.36	-41.35
CC1=NOC(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574692	1	25	-1.0	-45.80	241.34	4.37	-41.43
CCC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004574693	0	33	-1.0	-52.65	284.21	7.35	-45.30
CCC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004574693	1	33	-1.0	-52.70	284.07	7.36	-45.34
CN(C(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL250004574694	0	20	-1.0	-46.61	205.32	4.02	-42.59
CN(C(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL250004574694	1	20	-1.0	-46.76	205.17	4.03	-42.73
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004574695	0	32	-1.0	-35.72	270.76	7.80	-27.92
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004574695	1	32	-1.0	-35.71	270.89	7.79	-27.92
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574696	0	39	-1.0	-51.60	319.63	7.57	-44.03
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574696	1	39	-1.0	-51.66	319.49	7.61	-44.05
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL250004574697	0	32	-1.0	-49.14	285.58	3.28	-45.86
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL250004574697	1	32	-1.0	-49.07	285.72	3.26	-45.81
CC(C)C1=NN=C(CCC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004574698	0	33	-1.0	-47.61	285.67	1.06	-46.55
CC(C)C1=NN=C(CCC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004574698	1	33	-1.0	-47.70	285.54	1.09	-46.61
COCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574699	0	37	-1.0	-49.06	308.21	5.01	-44.05
COCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574699	1	37	-1.0	-49.07	308.07	5.02	-44.05
CN(C(=O)C1(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004574700	0	33	-1.0	-52.11	277.82	7.72	-44.39
CN(C(=O)C1(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004574700	1	33	-1.0	-52.17	277.68	7.72	-44.45
CC(=O)N1CCC(C)(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574701	0	33	-1.0	-43.39	258.01	3.38	-40.01
CC(=O)N1CCC(C)(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574701	1	33	-1.0	-43.40	257.87	3.41	-39.99
CN(C(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574702	0	25	-1.0	-58.87	248.93	6.46	-52.41
CN(C(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574702	1	25	-1.0	-58.78	249.07	6.46	-52.32
COC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574703	0	36	-1.0	-46.99	294.18	6.50	-40.49
COC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574703	1	36	-1.0	-47.09	294.05	6.51	-40.58
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574704	0	32	-1.0	-50.19	275.48	8.14	-42.05
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574704	1	32	-1.0	-50.14	275.62	8.12	-42.02
CCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574705	0	30	-1.0	-49.23	280.62	7.28	-41.95
CCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574705	1	30	-1.0	-49.17	280.76	7.28	-41.89
CN(C(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL250004574706	0	28	-1.0	-56.31	262.23	6.49	-49.82
CN(C(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL250004574706	1	28	-1.0	-56.24	262.37	6.49	-49.75
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004574707	0	31	-1.0	-51.17	265.00	6.74	-44.43
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004574707	1	31	-1.0	-51.05	265.14	6.74	-44.31
CN(C(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL250004574708	0	28	-1.0	-47.86	262.24	6.85	-41.01
CN(C(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL250004574708	1	28	-1.0	-47.83	262.37	6.84	-40.99
COC(=O)C1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574709	0	35	-1.0	-33.31	273.09	6.11	-27.20
COC(=O)C1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574709	1	35	-1.0	-33.31	272.94	6.13	-27.18
CN(C(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004574710	0	36	-1.0	-47.55	282.31	6.06	-41.49
CN(C(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004574710	1	36	-1.0	-47.44	282.46	6.06	-41.38
CC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574711	0	32	-1.0	-49.46	284.87	7.45	-42.01
CC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574711	1	32	-1.0	-49.52	284.73	7.48	-42.04
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004574712	0	30	-1.0	-45.33	275.49	7.78	-37.55
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004574712	1	30	-1.0	-45.44	275.34	7.78	-37.66
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL250004574713	0	33	-1.0	-49.69	288.01	7.05	-42.64
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL250004574713	1	33	-1.0	-49.66	288.14	7.03	-42.63
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL250004574714	0	26	-1.0	-47.84	250.10	6.02	-41.82
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL250004574714	1	26	-1.0	-47.92	249.98	6.03	-41.89
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004574715	0	30	-1.0	-48.26	273.59	5.69	-42.57
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004574715	1	30	-1.0	-48.36	273.46	5.72	-42.64
CN(C(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL250004574716	0	28	-1.0	-47.84	266.71	5.92	-41.92
CN(C(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL250004574716	1	28	-1.0	-47.87	266.57	5.95	-41.92
CCC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574717	0	31	-1.0	-50.96	265.19	6.18	-44.78
CCC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574717	1	31	-1.0	-50.89	265.32	6.19	-44.70
CN(C(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574718	0	34	-1.0	-52.68	295.48	7.61	-45.07
CN(C(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574718	1	34	-1.0	-52.75	295.34	7.64	-45.11
CN(C(=O)C1=CC(F)=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004574719	0	25	-1.0	-42.95	238.86	5.65	-37.30
CN(C(=O)C1=CC(F)=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004574719	1	25	-1.0	-43.06	238.72	5.64	-37.42
CN(C(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004574720	0	23	-1.0	-45.77	232.60	5.12	-40.65
CN(C(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004574720	1	23	-1.0	-45.72	232.73	5.11	-40.61
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=NC=C2)=NO1	REAL250004574721	0	31	-1.0	-44.53	278.57	5.38	-39.15
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=NC=C2)=NO1	REAL250004574721	1	31	-1.0	-44.47	278.72	5.36	-39.11
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004574722	0	27	-1.0	-45.56	238.70	4.28	-41.28
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004574722	1	27	-1.0	-45.52	238.84	4.29	-41.23
CCC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574723	0	35	-1.0	-47.43	280.69	7.47	-39.96
CCC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574723	1	35	-1.0	-47.39	280.83	7.48	-39.91
CN(C(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574724	0	31	-1.0	-50.18	279.49	7.45	-42.73
CN(C(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574724	1	31	-1.0	-50.23	279.35	7.48	-42.75
CN(C(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004574725	0	23	-1.0	-52.67	222.24	5.46	-47.21
CN(C(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004574725	1	23	-1.0	-52.60	222.39	5.46	-47.14
CN(C(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004574726	0	32	-1.0	-46.02	272.54	6.45	-39.57
CN(C(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004574726	1	32	-1.0	-45.91	272.69	6.43	-39.48
CN(C(=O)C1=C(F)C=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004574727	0	24	-1.0	-48.39	242.54	5.60	-42.79
CN(C(=O)C1=C(F)C=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004574727	1	24	-1.0	-48.47	242.40	5.60	-42.87
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574728	0	34	-1.0	-43.43	291.34	6.81	-36.62
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574728	1	34	-1.0	-43.37	291.48	6.81	-36.56
CC1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574729	0	26	-1.0	-48.68	245.42	6.20	-42.48
CC1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574729	1	26	-1.0	-48.71	245.28	6.20	-42.51
CN(C(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574730	0	26	-1.0	-48.38	241.73	6.08	-42.30
CN(C(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574730	1	26	-1.0	-48.46	241.60	6.10	-42.36
CN(C(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004574731	0	26	-1.0	-48.66	242.58	6.09	-42.57
CN(C(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004574731	1	26	-1.0	-48.75	242.44	6.12	-42.63
CN(C(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004574732	0	26	-1.0	-49.31	240.49	6.02	-43.29
CN(C(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004574732	1	26	-1.0	-49.37	240.35	6.05	-43.32
CN(C(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004574733	0	26	-1.0	-42.77	248.25	5.99	-36.78
CN(C(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004574733	1	26	-1.0	-42.80	248.11	5.98	-36.82
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=N2)=NO1	REAL250004574734	0	31	-1.0	-51.29	282.91	5.37	-45.92
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=N2)=NO1	REAL250004574734	1	31	-1.0	-51.29	283.04	5.34	-45.95
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004574735	0	39	-1.0	-51.01	322.71	7.79	-43.22
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004574735	1	39	-1.0	-51.17	322.58	7.82	-43.35
CN(C(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL250004574736	0	28	-1.0	-44.52	265.90	6.41	-38.11
CN(C(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL250004574736	1	28	-1.0	-44.48	266.05	6.40	-38.08
CN(C(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574737	0	33	-1.0	-47.78	276.78	8.19	-39.59
CN(C(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574737	1	33	-1.0	-47.87	276.64	8.20	-39.67
CN(C(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004574738	0	26	-1.0	-52.01	241.59	6.07	-45.94
CN(C(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004574738	1	26	-1.0	-52.06	241.45	6.10	-45.96
CC(C)CC(C)OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574739	0	38	-1.0	-44.80	305.13	5.92	-38.88
CC(C)CC(C)OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574739	1	38	-1.0	-44.84	304.99	5.95	-38.89
CCN(CC)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004574740	0	35	-1.0	-45.82	289.01	5.18	-40.64
CCN(CC)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004574740	1	35	-1.0	-45.84	288.88	5.21	-40.63
CN(C(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004574741	0	27	-1.0	-46.78	248.22	4.71	-42.07
CN(C(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004574741	1	27	-1.0	-46.85	248.08	4.71	-42.14
CC1=CC(Cl)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574742	0	26	-1.0	-44.81	241.13	6.09	-38.72
CC1=CC(Cl)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574742	1	26	-1.0	-44.80	241.27	6.11	-38.69
CN(C(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL250004574743	0	22	-1.0	-45.46	218.32	3.78	-41.68
CN(C(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL250004574743	1	22	-1.0	-45.41	218.46	3.76	-41.65
COC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004574744	0	33	-1.0	-46.94	285.18	4.93	-42.01
COC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004574744	1	33	-1.0	-46.87	285.34	4.91	-41.96
CN(C(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=N[N-]N=N1	REAL250004574745	0	37	-1.0	-29.16	260.51	6.59	-22.57
CN(C(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=NN=N[N-]1	REAL250004574745	1	37	-1.0	-29.16	260.39	6.63	-22.53
CN(C(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004574746	0	33	-1.0	-49.07	270.59	6.05	-43.02
CN(C(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004574746	1	33	-1.0	-49.02	270.73	6.03	-42.99
CC1=NC(CC(C)C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574747	0	34	-1.0	-45.67	287.21	5.50	-40.17
CC1=NC(CC(C)C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574747	1	34	-1.0	-45.73	287.06	5.52	-40.21
CC(C)CC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004574748	0	38	-1.0	-49.49	274.15	6.73	-42.76
CC(C)CC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004574748	1	38	-1.0	-49.53	274.02	6.75	-42.78
CC(C)CC(C(=O)N(C)C1=N[N-]N=N1)N1CCCCC1=O	REAL250004574749	0	42	-1.0	-39.84	307.18	8.17	-31.67
CC(C)CC(C(=O)N(C)C1=NN=N[N-]1)N1CCCCC1=O	REAL250004574749	1	42	-1.0	-39.90	307.04	8.18	-31.72
CC(CSC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574750	0	33	-1.0	-45.38	288.97	7.59	-37.79
CC(CSC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574750	1	33	-1.0	-45.45	288.83	7.62	-37.83
CCC1=NOC(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574751	0	34	-1.0	-49.70	289.49	6.26	-43.44
CCC1=NOC(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574751	1	34	-1.0	-49.74	289.36	6.29	-43.45
CN(C(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004574752	0	34	-1.0	-30.80	273.91	6.13	-24.67
CN(C(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004574752	1	34	-1.0	-30.88	273.78	6.15	-24.73
CC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004574753	0	28	-1.0	-50.41	255.33	4.34	-46.07
CC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004574753	1	28	-1.0	-50.48	255.20	4.37	-46.11
CN(C(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004574754	0	36	-1.0	-49.55	305.62	8.56	-40.99
CN(C(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004574754	1	36	-1.0	-49.59	305.49	8.59	-41.00
CN(C(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004574755	0	34	-1.0	-47.63	287.15	6.63	-41.00
CN(C(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004574755	1	34	-1.0	-47.69	287.02	6.65	-41.04
CCCCCC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004574756	0	40	-1.0	-47.65	300.88	7.50	-40.15
CCCCCC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004574756	1	40	-1.0	-47.69	300.75	7.51	-40.18
COC1=C(F)C=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574757	0	27	-1.0	-50.15	254.98	4.69	-45.46
COC1=C(F)C=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574757	1	27	-1.0	-50.11	255.12	4.67	-45.44
CN(C(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL250004574758	0	33	-1.0	-45.22	265.50	5.67	-39.55
CN(C(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL250004574758	1	33	-1.0	-45.15	265.64	5.64	-39.51
COC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574759	0	36	-1.0	-49.74	282.26	6.15	-43.59
COC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574759	1	36	-1.0	-49.83	282.12	6.17	-43.66
CN(C(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL250004574760	0	22	-1.0	-42.64	219.27	3.68	-38.96
CN(C(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL250004574760	1	22	-1.0	-42.60	219.41	3.67	-38.93
CN(C(=O)C1=CC=CN=C1Br)C1=NN=N[N-]1	REAL250004574761	0	22	-1.0	-49.36	218.21	3.67	-45.69
CN(C(=O)C1=CC=CN=C1Br)C1=N[N-]N=N1	REAL250004574761	1	22	-1.0	-49.28	218.35	3.67	-45.61
CCOCCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004574762	0	39	-1.0	-49.78	295.83	5.51	-44.27
CCOCCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004574762	1	39	-1.0	-49.87	295.70	5.52	-44.35
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004574763	0	26	-1.0	-42.29	243.56	4.23	-38.06
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004574763	1	26	-1.0	-42.37	243.42	4.25	-38.12
CN(C(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL250004574764	0	29	-1.0	-50.24	262.16	3.67	-46.57
CN(C(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL250004574764	1	29	-1.0	-50.15	262.31	3.66	-46.49
CN(C(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574765	0	35	-1.0	-32.29	284.40	7.20	-25.09
CN(C(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574765	1	35	-1.0	-32.34	284.27	7.22	-25.12
CC1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004574766	0	35	-1.0	-46.02	293.55	7.26	-38.76
CC1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004574766	1	35	-1.0	-45.94	293.69	7.24	-38.70
CN(C(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004574767	0	32	-1.0	-46.06	272.15	6.58	-39.48
CN(C(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004574767	1	32	-1.0	-45.96	272.28	6.57	-39.39
COC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004574768	0	27	-1.0	-54.67	250.90	4.53	-50.14
COC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004574768	1	27	-1.0	-54.62	251.02	4.51	-50.11
CCC(CC)N1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574769	0	35	-1.0	-45.28	280.25	5.83	-39.45
CCC(CC)N1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574769	1	35	-1.0	-45.14	280.39	5.81	-39.33
CN(C(=O)C1(CC2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL250004574770	0	36	-1.0	-51.28	281.69	7.74	-43.54
CN(C(=O)C1(CC2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL250004574770	1	36	-1.0	-51.37	281.56	7.78	-43.59
CC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004574771	0	26	-1.0	-47.95	232.73	5.67	-42.28
CC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004574771	1	26	-1.0	-47.87	232.87	5.67	-42.20
CCOCCC1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004574772	0	36	-1.0	-48.95	282.88	5.02	-43.93
CCOCCC1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004574772	1	36	-1.0	-48.98	282.74	5.03	-43.95
CCCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574773	0	36	-1.0	-49.81	302.72	6.99	-42.82
CCCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574773	1	36	-1.0	-49.88	302.59	7.03	-42.85
CCC(CC)N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574774	0	35	-1.0	-49.97	286.24	6.30	-43.67
CCC(CC)N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574774	1	35	-1.0	-49.89	286.39	6.29	-43.60
CN(C(=O)C(F)(F)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004574775	0	25	-1.0	-48.10	230.54	4.84	-43.26
CN(C(=O)C(F)(F)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004574775	1	25	-1.0	-48.04	230.67	4.81	-43.23
CC1=CC=CC(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004574776	0	35	-1.0	-45.85	293.55	7.25	-38.60
CC1=CC=CC(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004574776	1	35	-1.0	-45.76	293.69	7.23	-38.53
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004574777	0	29	-1.0	-45.38	261.57	5.60	-39.78
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004574777	1	29	-1.0	-45.45	261.44	5.59	-39.86
CC(C)OC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004574778	0	32	-1.0	-44.27	272.02	3.51	-40.76
CC(C)OC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004574778	1	32	-1.0	-44.21	272.16	3.50	-40.71
CNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574779	0	29	-1.0	-46.15	255.66	2.52	-43.63
CNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574779	1	29	-1.0	-46.11	255.79	2.51	-43.60
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004574780	0	29	-1.0	-47.91	265.51	7.05	-40.86
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004574780	1	29	-1.0	-47.99	265.38	7.09	-40.90
CCCN1N=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004574781	0	35	-1.0	-47.08	296.22	5.62	-41.46
CCCN1N=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004574781	1	35	-1.0	-46.96	296.36	5.61	-41.35
CN(C(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004574782	0	23	-1.0	-42.52	224.67	5.46	-37.06
CN(C(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004574782	1	23	-1.0	-42.42	224.81	5.47	-36.95
CN(C(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004574783	0	26	-1.0	-48.45	238.31	5.96	-42.49
CN(C(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004574783	1	26	-1.0	-48.52	238.17	5.96	-42.56
CC(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574784	0	30	-1.0	-50.71	270.72	4.28	-46.43
CC(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574784	1	30	-1.0	-51.25	270.65	4.31	-46.94
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004574785	0	30	-1.0	-51.23	275.84	4.36	-46.87
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004574785	1	30	-1.0	-51.27	275.70	4.37	-46.90
CN(C(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL250004574786	0	37	-1.0	-45.81	308.18	4.65	-41.16
CN(C(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL250004574786	1	37	-1.0	-45.89	308.04	4.68	-41.21
CN(C(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004574787	0	26	-1.0	-46.82	250.51	6.47	-40.35
CN(C(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004574787	1	26	-1.0	-46.91	250.37	6.49	-40.42
CN(C(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574788	0	26	-1.0	-47.40	248.02	6.11	-41.29
CN(C(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574788	1	26	-1.0	-47.46	247.88	6.14	-41.32
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004574789	0	26	-1.0	-45.23	237.53	6.00	-39.23
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004574789	1	26	-1.0	-45.11	237.66	6.01	-39.10
CN(C(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL250004574790	0	29	-1.0	-43.54	267.31	6.70	-36.84
CN(C(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL250004574790	1	29	-1.0	-43.46	267.45	6.67	-36.79
COC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574791	0	34	-1.0	-51.49	288.34	5.89	-45.60
COC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574791	1	34	-1.0	-51.54	288.20	5.91	-45.63
CCC(OC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574792	0	39	-1.0	-48.74	301.14	7.20	-41.54
CCC(OC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574792	1	39	-1.0	-48.83	301.00	7.22	-41.61
COCCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004574793	0	36	-1.0	-49.58	273.98	4.54	-45.04
COCCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004574793	1	36	-1.0	-49.67	273.84	4.56	-45.11
CCCN(CCC)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004574794	0	41	-1.0	-45.55	332.01	6.69	-38.86
CCCN(CCC)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004574794	1	41	-1.0	-45.65	331.87	6.73	-38.92
CN(C(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL250004574795	0	26	-1.0	-47.15	239.03	6.26	-40.89
CN(C(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL250004574795	1	26	-1.0	-47.08	239.17	6.27	-40.81
CC(OC1CCCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574796	0	39	-1.0	-49.12	289.98	6.78	-42.34
CC(OC1CCCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574796	1	39	-1.0	-49.16	289.84	6.80	-42.36
CN(C(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL250004574797	0	37	-1.0	-47.53	308.74	2.34	-45.19
CN(C(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL250004574797	1	37	-1.0	-47.64	308.60	2.37	-45.27
CN(C(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004574798	0	23	-1.0	-42.61	226.15	5.49	-37.12
CN(C(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004574798	1	23	-1.0	-42.57	226.28	5.51	-37.06
COC1=CC=CC(OC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574799	0	34	-1.0	-51.72	286.18	4.70	-47.02
COC1=CC=CC(OC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574799	1	34	-1.0	-51.78	286.04	4.73	-47.05
CN(C(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004574800	0	33	-1.0	-59.00	287.90	7.14	-51.86
CN(C(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004574800	1	33	-1.0	-59.10	287.77	7.17	-51.93
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004574801	0	37	-1.0	-57.15	304.07	3.90	-53.25
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004574801	1	37	-1.0	-57.23	303.92	3.92	-53.31
CN(C(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004574802	0	38	-1.0	-47.88	306.06	8.30	-39.58
CN(C(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004574802	1	38	-1.0	-47.96	305.92	8.32	-39.64
CC(C)OC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574803	0	32	-1.0	-43.90	267.96	4.04	-39.86
CC(C)OC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574803	1	32	-1.0	-43.85	268.09	4.03	-39.82
CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004574804	0	42	-1.0	-32.92	318.63	3.25	-29.67
CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004574804	1	42	-1.0	-32.88	318.49	3.26	-29.62
CC1=NN(C)C(C)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004574805	0	33	-1.0	-51.74	287.61	4.82	-46.92
CC1=NN(C)C(C)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004574805	1	33	-1.0	-51.83	287.48	4.84	-46.99
CC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574806	0	32	-1.0	-53.98	277.82	6.77	-47.21
CC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574806	1	32	-1.0	-54.07	277.68	6.80	-47.27
CN(C(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004574807	0	25	-1.0	-43.66	243.72	5.97	-37.69
CN(C(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004574807	1	25	-1.0	-43.73	243.58	5.95	-37.78
COC(=O)CC(C)(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574808	0	34	-1.0	-52.94	269.22	5.39	-47.55
COC(=O)CC(C)(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574808	1	34	-1.0	-53.02	269.09	5.42	-47.60
CCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004574809	0	36	-1.0	-46.64	294.86	6.21	-40.43
CCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004574809	1	36	-1.0	-46.69	294.72	6.22	-40.47
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004574810	0	29	-1.0	-52.04	251.39	6.24	-45.80
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004574810	1	29	-1.0	-51.98	251.54	6.24	-45.74
CN(C(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004574811	0	22	-1.0	-49.47	220.64	4.70	-44.77
CN(C(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004574811	1	22	-1.0	-49.41	220.78	4.70	-44.71
COC(=O)C1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574812	0	32	-1.0	-52.46	284.68	6.62	-45.84
COC(=O)C1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574812	1	32	-1.0	-52.50	284.55	6.65	-45.85
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574813	0	34	-1.0	-46.86	296.57	7.74	-39.12
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574813	1	34	-1.0	-46.82	296.71	7.73	-39.09
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004574814	0	27	-1.0	-44.84	248.94	5.97	-38.87
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004574814	1	27	-1.0	-44.76	249.08	5.97	-38.79
CN(C(=O)C1=CN(C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004574815	0	35	-1.0	-48.64	280.05	5.02	-43.62
CN(C(=O)C1=CN(C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004574815	1	35	-1.0	-48.57	280.20	5.01	-43.56
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004574816	0	34	-1.0	-45.48	292.63	5.23	-40.25
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004574816	1	34	-1.0	-45.52	292.48	5.23	-40.29
COC(=O)C1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574817	0	27	-1.0	-42.58	249.88	2.97	-39.61
COC(=O)C1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574817	1	27	-1.0	-42.52	250.02	2.95	-39.57
CN(C(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL250004574818	0	24	-1.0	-47.47	227.34	3.25	-44.22
CN(C(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL250004574818	1	24	-1.0	-47.36	227.48	3.26	-44.10
CN(C(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL250004574819	0	23	-1.0	-50.30	233.30	4.77	-45.53
CN(C(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL250004574819	1	23	-1.0	-50.40	233.16	4.80	-45.60
CN(C(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL250004574820	0	28	-1.0	-46.17	261.80	3.98	-42.19
CN(C(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL250004574820	1	28	-1.0	-46.02	261.95	3.95	-42.07
CC(C)CN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004574821	0	39	-1.0	-46.59	310.75	6.94	-39.65
CC(C)CN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004574821	1	39	-1.0	-46.67	310.61	6.95	-39.72
COC1=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004574822	0	31	-1.0	-48.94	274.61	5.85	-43.09
COC1=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004574822	1	31	-1.0	-49.04	274.47	5.87	-43.17
CC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574823	0	26	-1.0	-45.00	238.61	6.12	-38.88
CC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574823	1	26	-1.0	-44.95	238.75	6.11	-38.84
CN(C(=O)C1=CN(C)N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL250004574824	0	30	-1.0	-52.95	275.71	5.43	-47.52
CN(C(=O)C1=CN(C)N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL250004574824	1	30	-1.0	-52.88	275.85	5.41	-47.47
CC(C(=O)N(C)C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004574825	0	35	-1.0	-34.13	272.61	5.28	-28.85
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004574825	1	35	-1.0	-34.18	272.49	5.30	-28.88
CC(C)[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004574826	0	38	-1.0	-31.99	281.23	7.20	-24.79
CC(C)[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004574826	1	38	-1.0	-32.04	281.07	7.23	-24.81
CN(C(=O)C1=CC=CC=C1CCC(F)(F)F)C1=N[N-]N=N1	REAL250004574827	0	32	-1.0	-49.64	281.58	7.40	-42.24
CN(C(=O)C1=CC=CC=C1CCC(F)(F)F)C1=NN=N[N-]1	REAL250004574827	1	32	-1.0	-49.72	281.44	7.40	-42.32
CC(=CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574828	0	30	-1.0	-45.60	273.92	7.41	-38.19
CC(=CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574828	1	30	-1.0	-45.71	273.78	7.41	-38.30
CN(C(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL250004574829	0	29	-1.0	-45.25	262.15	5.70	-39.55
CN(C(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL250004574829	1	29	-1.0	-45.22	262.30	5.70	-39.52
CN(C(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL250004574830	0	31	-1.0	-31.88	261.53	5.91	-25.97
CN(C(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL250004574830	1	31	-1.0	-31.98	261.67	5.95	-26.03
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004574831	0	26	-1.0	-50.00	237.43	6.03	-43.97
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004574831	1	26	-1.0	-49.95	237.58	6.01	-43.94
CCC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004574832	0	31	-1.0	-45.70	270.62	6.28	-39.42
CCC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004574832	1	31	-1.0	-45.62	270.75	6.29	-39.33
CCC(C)(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574833	0	38	-1.0	-47.27	292.43	7.69	-39.58
CCC(C)(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574833	1	38	-1.0	-47.21	292.57	7.70	-39.51
CN(C(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL250004574834	0	30	-1.0	-47.42	268.22	3.91	-43.51
CN(C(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL250004574834	1	30	-1.0	-47.54	268.07	3.93	-43.61
CN(C(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004574835	0	26	-1.0	-53.63	255.78	1.44	-52.19
CN(C(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004574835	1	26	-1.0	-53.74	255.63	1.49	-52.25
CCOC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574836	0	33	-1.0	-46.03	285.86	6.24	-39.79
CCOC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574836	1	33	-1.0	-46.08	285.72	6.28	-39.80
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Br)=N1	REAL250004574837	0	25	-1.0	-49.29	236.20	4.24	-45.05
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Br)=N1	REAL250004574837	1	25	-1.0	-49.38	236.06	4.24	-45.14
CN(C(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL250004574838	0	29	-1.0	-53.27	255.43	4.75	-48.52
CN(C(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL250004574838	1	29	-1.0	-53.23	255.57	4.75	-48.48
C=CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574839	0	33	-1.0	-46.06	279.19	7.79	-38.27
C=CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574839	1	33	-1.0	-46.18	279.06	7.81	-38.37
COC(=O)C1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004574840	0	35	-1.0	-52.89	297.77	7.17	-45.72
COC(=O)C1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004574840	1	35	-1.0	-52.95	297.64	7.21	-45.74
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Br)=C1	REAL250004574841	0	26	-1.0	-48.65	239.53	6.17	-42.48
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Br)=C1	REAL250004574841	1	26	-1.0	-48.70	239.39	6.17	-42.53
CC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004574842	0	26	-1.0	-53.47	241.90	5.86	-47.61
CC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004574842	1	26	-1.0	-53.40	242.04	5.84	-47.56
CN(C(=O)C1=CC=NC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004574843	0	35	-1.0	-44.36	284.02	5.23	-39.13
CN(C(=O)C1=CC=NC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004574843	1	35	-1.0	-44.31	284.15	5.21	-39.10
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004574844	0	32	-1.0	-32.40	258.02	5.14	-27.26
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004574844	1	32	-1.0	-32.40	257.89	5.14	-27.26
CN(C(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004574845	0	29	-1.0	-54.34	258.56	7.57	-46.77
CN(C(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004574845	1	29	-1.0	-54.33	258.70	7.56	-46.77
CC(C)CN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)F	REAL250004574846	0	35	-1.0	-43.12	296.62	5.78	-37.34
CC(C)CN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)F	REAL250004574846	1	35	-1.0	-43.17	296.47	5.80	-37.37
CN(C(=O)C1=CN(C)N=C1C(F)F)C1=N[N-]N=N1	REAL250004574847	0	26	-1.0	-55.22	238.45	3.53	-51.69
CN(C(=O)C1=CN(C)N=C1C(F)F)C1=NN=N[N-]1	REAL250004574847	1	26	-1.0	-55.29	238.30	3.56	-51.73
CC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004574848	0	29	-1.0	-42.16	250.10	6.32	-35.84
CC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004574848	1	29	-1.0	-42.21	249.96	6.35	-35.86
CSCC1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574849	0	31	-1.0	-46.82	287.55	3.42	-43.40
CSCC1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574849	1	31	-1.0	-46.88	287.42	3.46	-43.42
CN(C(=O)C(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004574850	0	38	-1.0	-31.71	265.37	6.23	-25.48
CN(C(=O)C(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004574850	1	38	-1.0	-31.76	265.22	6.24	-25.52
CN(C(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004574851	0	31	-1.0	-50.32	253.18	6.27	-44.05
CN(C(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004574851	1	31	-1.0	-50.26	253.31	6.26	-44.00
CC(C)OC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004574852	0	32	-1.0	-46.54	266.75	4.73	-41.81
CC(C)OC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004574852	1	32	-1.0	-46.45	266.89	4.71	-41.74
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL250004574853	0	35	-1.0	-53.77	289.08	8.06	-45.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL250004574853	1	35	-1.0	-53.69	289.21	8.06	-45.63
CN(C(=O)C1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004574854	0	35	-1.0	-47.57	269.44	7.68	-39.89
CN(C(=O)C1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004574854	1	35	-1.0	-47.46	269.59	7.67	-39.79
CN(C(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL250004574855	0	30	-1.0	-48.74	258.17	6.52	-42.22
CN(C(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL250004574855	1	30	-1.0	-48.77	258.05	6.56	-42.21
CC(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004574856	0	28	-1.0	-45.60	250.97	4.15	-41.45
CC(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004574856	1	28	-1.0	-45.67	250.82	4.16	-41.51
COCCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574857	0	37	-1.0	-51.87	314.85	5.46	-46.41
COCCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574857	1	37	-1.0	-51.95	314.72	5.50	-46.45
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004574858	0	31	-1.0	-51.95	272.41	7.13	-44.82
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004574858	1	31	-1.0	-52.06	272.28	7.16	-44.90
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004574859	0	31	-1.0	-49.02	265.84	5.90	-43.12
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004574859	1	31	-1.0	-48.95	265.98	5.91	-43.04
CN(C(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004574860	0	35	-1.0	-51.82	302.69	3.49	-48.33
CN(C(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004574860	1	35	-1.0	-51.73	302.83	3.45	-48.28
CN(C(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574861	0	23	-1.0	-44.40	218.89	5.07	-39.33
CN(C(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574861	1	23	-1.0	-44.50	218.75	5.07	-39.43
CC1=C(CCCC(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004574862	0	32	-1.0	-49.09	281.56	7.21	-41.88
CC1=C(CCCC(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004574862	1	32	-1.0	-49.18	281.42	7.24	-41.94
CC1=NC(Cl)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574863	0	28	-1.0	-49.52	258.56	5.05	-44.47
CC1=NC(Cl)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574863	1	28	-1.0	-49.61	258.42	5.09	-44.52
CC(CSCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574864	0	36	-1.0	-45.34	308.44	8.42	-36.92
CC(CSCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574864	1	36	-1.0	-45.46	308.30	8.46	-37.00
CCC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004574865	0	33	-1.0	-56.72	271.55	4.27	-52.45
CCC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004574865	1	33	-1.0	-56.76	271.46	4.30	-52.46
CN(C(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL250004574866	0	31	-1.0	-57.70	274.78	7.22	-50.48
CN(C(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL250004574866	1	31	-1.0	-57.78	274.65	7.24	-50.54
CC1=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004574867	0	30	-1.0	-49.00	259.56	7.00	-42.00
CC1=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004574867	1	30	-1.0	-49.10	259.43	7.01	-42.09
CN(C(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL250004574868	0	26	-1.0	-51.87	258.93	4.33	-47.54
CN(C(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL250004574868	1	26	-1.0	-51.91	258.79	4.36	-47.55
CN(C(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL250004574869	0	26	-1.0	-50.65	246.44	1.49	-49.16
CN(C(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL250004574869	1	26	-1.0	-50.60	246.58	1.49	-49.11
CN(C(=O)CC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004574870	0	29	-1.0	-49.71	262.04	6.84	-42.87
CN(C(=O)CC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004574870	1	29	-1.0	-49.78	261.91	6.87	-42.91
CN(C(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004574871	0	38	-1.0	-47.54	283.68	7.13	-40.41
CN(C(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004574871	1	38	-1.0	-47.58	283.54	7.14	-40.44
CN(C(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL250004574872	0	26	-1.0	-52.30	246.65	5.60	-46.70
CN(C(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL250004574872	1	26	-1.0	-52.21	246.79	5.57	-46.64
CC(C)CC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574873	0	39	-1.0	-47.79	320.04	9.15	-38.64
CC(C)CC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574873	1	39	-1.0	-47.86	319.90	9.17	-38.69
CCSC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574874	0	33	-1.0	-48.54	291.54	7.84	-40.70
CCSC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574874	1	33	-1.0	-48.67	291.40	7.86	-40.81
CC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574875	0	26	-1.0	-43.89	238.88	6.13	-37.76
CC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574875	1	26	-1.0	-43.78	239.02	6.12	-37.66
CN(C(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL250004574876	0	27	-1.0	-46.82	254.89	5.75	-41.07
CN(C(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL250004574876	1	27	-1.0	-46.73	255.04	5.75	-40.98
CN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004574877	0	42	-1.0	-47.25	308.37	8.09	-39.16
CN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004574877	1	42	-1.0	-47.34	308.22	8.11	-39.23
CC(C)CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574878	0	41	-1.0	-46.16	332.46	9.47	-36.69
CC(C)CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574878	1	41	-1.0	-46.22	332.32	9.49	-36.73
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004574879	0	32	-1.0	-48.32	276.14	7.29	-41.03
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004574879	1	32	-1.0	-48.34	276.00	7.30	-41.04
CN(C(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL250004574880	0	26	-1.0	-51.87	258.93	4.33	-47.54
CN(C(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL250004574880	1	26	-1.0	-51.91	258.79	4.36	-47.55
CC(CCC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004574881	0	35	-1.0	-48.87	287.04	7.91	-40.96
CC(CCC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574881	1	35	-1.0	-48.95	286.90	7.93	-41.02
CN(C(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004574882	0	32	-1.0	-48.99	284.29	7.51	-41.48
CN(C(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004574882	1	32	-1.0	-48.98	284.14	7.50	-41.48
CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL250004574883	0	40	-1.0	-53.30	318.23	6.33	-46.97
CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL250004574883	1	40	-1.0	-53.38	318.10	6.36	-47.02
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004574884	0	39	-1.0	-47.42	313.92	7.13	-40.29
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004574884	1	39	-1.0	-47.55	313.78	7.15	-40.40
CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004574885	0	44	-1.0	-46.84	311.47	8.02	-38.82
CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004574885	1	44	-1.0	-46.89	311.33	8.03	-38.86
CC1=CC=C(F)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574886	0	30	-1.0	-54.96	266.41	6.59	-48.37
CC1=CC=C(F)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574886	1	30	-1.0	-55.06	266.28	6.61	-48.45
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1Cl	REAL250004574887	0	33	-1.0	-49.55	292.94	7.52	-42.03
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1Cl	REAL250004574887	1	33	-1.0	-49.57	292.80	7.55	-42.02
CN(C(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004574888	0	37	-1.0	-51.23	301.51	8.34	-42.89
CN(C(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004574888	1	37	-1.0	-51.24	301.38	8.37	-42.87
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004574889	0	31	-1.0	-52.95	262.63	5.44	-47.51
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004574889	1	31	-1.0	-52.87	262.77	5.42	-47.45
CCOC(=O)NCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574890	0	33	-1.0	-49.70	284.85	2.43	-47.27
CCOC(=O)NCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574890	1	33	-1.0	-49.81	284.71	2.47	-47.34
CN(C(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL250004574891	0	38	-1.0	-47.06	276.44	6.86	-40.20
CN(C(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL250004574891	1	38	-1.0	-47.13	276.30	6.88	-40.25
CN(C(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL250004574892	0	28	-1.0	-49.25	252.24	5.82	-43.43
CN(C(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL250004574892	1	28	-1.0	-49.31	252.10	5.84	-43.47
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004574893	0	25	-1.0	-45.72	235.12	4.23	-41.49
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004574893	1	25	-1.0	-45.64	235.26	4.24	-41.40
CC(C)C1=NN=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004574894	0	31	-1.0	-45.64	276.36	0.93	-44.71
CC(C)C1=NN=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004574894	1	31	-1.0	-45.74	276.22	0.95	-44.79
CC1=NC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574895	0	25	-1.0	-43.23	234.19	4.19	-39.04
CC1=NC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574895	1	25	-1.0	-43.15	234.31	4.17	-38.98
CN(C(=O)C1(SC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004574896	0	31	-1.0	-46.77	273.96	7.56	-39.21
CN(C(=O)C1(SC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004574896	1	31	-1.0	-46.87	273.82	7.57	-39.30
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004574897	0	38	-1.0	-46.65	305.54	6.07	-40.58
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004574897	1	38	-1.0	-46.72	305.40	6.08	-40.64
CN(C(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004574898	0	29	-1.0	-46.72	263.13	6.88	-39.84
CN(C(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004574898	1	29	-1.0	-46.81	262.99	6.91	-39.90
CC(C)C1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574899	0	39	-1.0	-46.47	318.34	7.63	-38.84
CC(C)C1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574899	1	39	-1.0	-46.50	318.21	7.66	-38.84
CN(C(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL250004574900	0	33	-1.0	-44.11	274.42	5.26	-38.85
CN(C(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL250004574900	1	33	-1.0	-44.02	274.56	5.24	-38.78
CN(C(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL250004574901	0	28	-1.0	-48.18	264.67	4.98	-43.20
CN(C(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL250004574901	1	28	-1.0	-48.12	264.81	4.96	-43.16
CCCC1CC(C(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004574902	0	36	-1.0	-31.15	280.62	5.60	-25.55
CCCC1CC(C(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004574902	1	36	-1.0	-31.17	280.47	5.62	-25.55
CN(C(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL250004574903	0	29	-1.0	-48.93	262.74	6.49	-42.44
CN(C(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL250004574903	1	29	-1.0	-49.00	262.61	6.52	-42.48
CN(C(=O)C1=CC=CC=C1N1C=CN=N1)C1=NN=N[N-]1	REAL250004574904	0	29	-1.0	-67.39	253.37	4.99	-62.40
CN(C(=O)C1=CC=CC=C1N1C=CN=N1)C1=N[N-]N=N1	REAL250004574904	1	29	-1.0	-67.30	253.52	4.98	-62.32
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574905	0	32	-1.0	-45.52	282.36	6.79	-38.73
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574905	1	32	-1.0	-45.49	282.49	6.76	-38.73
CN(C(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004574906	0	31	-1.0	-50.96	271.83	4.40	-46.56
CN(C(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004574906	1	31	-1.0	-51.09	271.69	4.45	-46.64
CC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574907	0	29	-1.0	-41.84	258.29	6.60	-35.24
CC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574907	1	29	-1.0	-41.94	258.15	6.64	-35.30
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1C	REAL250004574908	0	29	-1.0	-49.75	254.39	6.57	-43.18
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1C	REAL250004574908	1	29	-1.0	-49.67	254.54	6.55	-43.12
CN(C(=O)C1=CN(C)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004574909	0	27	-1.0	-57.35	250.32	5.61	-51.74
CN(C(=O)C1=CN(C)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004574909	1	27	-1.0	-57.43	250.17	5.64	-51.79
CN(C(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL250004574910	0	27	-1.0	-43.41	241.87	2.59	-40.82
CN(C(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL250004574910	1	27	-1.0	-43.38	242.01	2.58	-40.80
CN(C(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL250004574911	0	27	-1.0	-46.01	263.29	6.72	-39.29
CN(C(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL250004574911	1	27	-1.0	-45.92	263.44	6.72	-39.20
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004574912	0	35	-1.0	-56.88	278.00	4.56	-52.32
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004574912	1	35	-1.0	-56.97	277.86	4.58	-52.39
CN(C(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL250004574913	0	31	-1.0	-46.48	274.10	7.57	-38.91
CN(C(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL250004574913	1	31	-1.0	-46.38	274.31	7.56	-38.82
CN(C(=O)C1=CC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL250004574914	0	23	-1.0	-44.09	231.41	2.46	-41.63
CN(C(=O)C1=CC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL250004574914	1	23	-1.0	-44.04	231.53	2.47	-41.57
CN(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574915	0	36	-1.0	-47.49	296.79	6.99	-40.50
CN(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574915	1	36	-1.0	-47.42	296.94	6.98	-40.44
CN(C(=O)CSC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004574916	0	29	-1.0	-58.34	272.00	6.99	-51.35
CN(C(=O)CSC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004574916	1	29	-1.0	-58.40	271.87	7.01	-51.39
CCC(CC)N1N=C(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574917	0	38	-1.0	-45.03	302.21	6.42	-38.61
CCC(CC)N1N=C(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574917	1	38	-1.0	-44.98	302.35	6.40	-38.58
CC1=CC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004574918	0	35	-1.0	-48.27	285.36	7.65	-40.62
CC1=CC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004574918	1	35	-1.0	-48.33	285.22	7.69	-40.64
CC(CCCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004574919	0	38	-1.0	-47.54	305.50	8.56	-38.98
CC(CCCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004574919	1	38	-1.0	-47.63	305.36	8.60	-39.03
CN(C(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL250004574920	0	30	-1.0	-47.88	268.73	7.40	-40.48
CN(C(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL250004574920	1	30	-1.0	-47.93	268.59	7.43	-40.50
CC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574921	0	35	-1.0	-46.00	283.18	7.65	-38.35
CC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574921	1	35	-1.0	-46.01	283.04	7.68	-38.33
COC(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004574922	0	35	-1.0	-34.89	273.09	6.11	-28.78
COC(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004574922	1	35	-1.0	-34.94	272.93	6.13	-28.81
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004574923	0	32	-1.0	-47.52	275.31	4.05	-43.47
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004574923	1	32	-1.0	-47.48	275.44	4.07	-43.41
CN(C(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004574924	0	33	-1.0	-49.55	282.63	6.82	-42.73
CN(C(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004574924	1	33	-1.0	-49.61	282.50	6.85	-42.76
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004574925	0	36	-1.0	-33.16	288.72	6.37	-26.79
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004574925	1	36	-1.0	-33.22	288.61	6.38	-26.84
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=N[N-]N=N1	REAL250004574926	0	33	-1.0	-43.68	267.93	7.27	-36.41
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=NN=N[N-]1	REAL250004574926	1	33	-1.0	-43.76	267.80	7.28	-36.48
CN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004574927	0	38	-1.0	-51.26	318.88	9.81	-41.45
CN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004574927	1	38	-1.0	-51.36	318.74	9.85	-41.51
C=CCCOCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004574928	0	36	-1.0	-47.10	302.69	5.93	-41.17
C=CCCOCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004574928	1	36	-1.0	-47.21	302.56	5.97	-41.24
CN(C(=O)C1=CC=CC=C1COC(C)(C)C)C1=NN=N[N-]1	REAL250004574929	0	39	-1.0	-48.35	310.75	6.96	-41.39
CN(C(=O)C1=CC=CC=C1COC(C)(C)C)C1=N[N-]N=N1	REAL250004574929	1	39	-1.0	-48.28	310.88	6.95	-41.33
CCC(C)N1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574930	0	35	-1.0	-50.35	287.73	6.06	-44.29
CCC(C)N1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574930	1	35	-1.0	-50.41	287.58	6.08	-44.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=CN=CN21	REAL250004574931	0	29	-1.0	-45.18	254.34	6.85	-38.33
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004574931	1	29	-1.0	-45.28	254.20	6.85	-38.43
CN(C(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL250004574932	0	30	-1.0	-49.69	265.94	4.21	-45.48
CN(C(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL250004574932	1	30	-1.0	-49.62	266.07	4.20	-45.42
CN(C(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL250004574933	0	24	-1.0	-46.56	239.23	5.71	-40.85
CN(C(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL250004574933	1	24	-1.0	-46.49	239.37	5.72	-40.77
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004574934	0	33	-1.0	-48.97	274.92	5.97	-43.00
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004574934	1	33	-1.0	-48.85	275.06	5.95	-42.90
CN(C(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004574935	0	35	-1.0	-43.83	293.81	7.27	-36.56
CN(C(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004574935	1	35	-1.0	-43.79	293.94	7.26	-36.53
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1CC	REAL250004574936	0	35	-1.0	-48.57	279.11	7.46	-41.11
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1CC	REAL250004574936	1	35	-1.0	-48.53	279.26	7.47	-41.06
CN(C(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL250004574937	0	30	-1.0	-46.16	266.40	6.83	-39.33
CN(C(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL250004574937	1	30	-1.0	-46.23	266.26	6.86	-39.37
CN(C(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL250004574938	0	23	-1.0	-48.85	228.21	5.50	-43.35
CN(C(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL250004574938	1	23	-1.0	-48.92	228.06	5.50	-43.42
COC(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574939	0	28	-1.0	-45.17	252.70	3.83	-41.34
COC(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574939	1	28	-1.0	-45.07	252.84	3.82	-41.25
CN(C(=O)C1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL250004574940	0	27	-1.0	-51.76	245.48	5.81	-45.95
CN(C(=O)C1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL250004574940	1	27	-1.0	-51.83	245.34	5.81	-46.02
CN(C(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004574941	0	28	-1.0	-40.00	265.09	6.59	-33.41
CN(C(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004574941	1	28	-1.0	-40.11	264.96	6.63	-33.48
CSC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574942	0	30	-1.0	-49.19	267.33	6.87	-42.32
CSC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574942	1	30	-1.0	-49.23	267.20	6.91	-42.32
CC1=CC(C)=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574943	0	35	-1.0	-46.37	294.08	8.11	-38.26
CC1=CC(C)=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574943	1	35	-1.0	-46.43	293.94	8.13	-38.30
COCCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004574944	0	33	-1.0	-49.71	285.48	1.87	-47.84
COCCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004574944	1	33	-1.0	-49.64	285.62	1.85	-47.79
CCC(C)OC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004574945	0	35	-1.0	-47.49	292.76	4.33	-43.16
CCC(C)OC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004574945	1	35	-1.0	-47.45	292.90	4.31	-43.14
CN(C(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574946	0	31	-1.0	-45.76	270.10	6.34	-39.42
CN(C(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574946	1	31	-1.0	-45.74	270.22	6.32	-39.42
CN(C(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL250004574947	0	19	-1.0	-46.47	205.17	2.51	-43.96
CN(C(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL250004574947	1	19	-1.0	-46.39	205.32	2.50	-43.89
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004574948	0	28	-1.0	-50.08	251.64	5.41	-44.67
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004574948	1	28	-1.0	-50.05	251.78	5.41	-44.64
CC1=CSC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C(=O)N12	REAL250004574949	0	28	-1.0	-57.91	261.80	4.69	-53.22
CC1=CSC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C(=O)N12	REAL250004574949	1	28	-1.0	-57.85	261.94	4.69	-53.16
CC(CC(=O)N(C)C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004574950	0	35	-1.0	-49.00	302.13	8.48	-40.52
CC(CC(=O)N(C)C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004574950	1	35	-1.0	-49.06	302.00	8.49	-40.57
COC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004574951	0	33	-1.0	-46.35	274.14	5.74	-40.61
COC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004574951	1	33	-1.0	-46.61	274.29	5.74	-40.87
CN(C(=O)C1=CC(Cl)=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004574952	0	22	-1.0	-42.42	232.94	5.13	-37.29
CN(C(=O)C1=CC(Cl)=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004574952	1	22	-1.0	-42.35	233.08	5.11	-37.24
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL250004574953	0	36	-1.0	-50.07	303.74	7.86	-42.21
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL250004574953	1	36	-1.0	-50.01	303.90	7.85	-42.16
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C(C)C1CC1	REAL250004574954	0	36	-1.0	-50.66	301.02	6.97	-43.69
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C(C)C1CC1	REAL250004574954	1	36	-1.0	-50.74	300.87	6.98	-43.76
CN(C(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004574955	0	28	-1.0	-46.17	252.39	5.09	-41.08
CN(C(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004574955	1	28	-1.0	-46.05	252.52	5.07	-40.98
CN(C(=O)C1=NC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004574956	0	25	-1.0	-53.30	229.52	5.25	-48.05
CN(C(=O)C1=NC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004574956	1	25	-1.0	-53.22	229.66	5.23	-47.99
CCOC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574957	0	30	-1.0	-49.64	271.85	6.24	-43.40
CCOC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574957	1	30	-1.0	-49.57	271.99	6.22	-43.35
CN(C(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL250004574958	0	29	-1.0	-56.62	263.88	4.79	-51.83
CN(C(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL250004574958	1	29	-1.0	-56.55	264.02	4.77	-51.78
CN(C(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004574959	0	32	-1.0	-45.10	286.27	4.42	-40.68
CN(C(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004574959	1	32	-1.0	-45.04	286.41	4.42	-40.62
CN(C(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574960	0	33	-1.0	-52.57	288.02	6.27	-46.30
CN(C(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574960	1	33	-1.0	-52.52	288.16	6.26	-46.26
COC1=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=CC=C1	REAL250004574961	0	34	-1.0	-54.10	289.78	5.38	-48.72
COC1=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=CC=C1	REAL250004574961	1	34	-1.0	-54.03	289.91	5.35	-48.68
CCCCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004574962	0	46	-1.0	-46.64	355.31	9.67	-36.97
CCCCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004574962	1	46	-1.0	-46.75	355.17	9.69	-37.06
C=CCOC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574963	0	30	-1.0	-56.29	261.47	6.24	-50.05
C=CCOC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574963	1	30	-1.0	-56.22	261.61	6.24	-49.98
CN(C(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004574964	0	28	-1.0	-46.09	256.49	4.60	-41.49
CN(C(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004574964	1	28	-1.0	-46.02	256.63	4.60	-41.42
CN(C(=O)C(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574965	0	30	-1.0	-51.86	264.36	6.71	-45.15
CN(C(=O)C(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574965	1	30	-1.0	-51.75	264.50	6.69	-45.06
CN(C(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004574966	0	33	-1.0	-51.47	295.94	8.27	-43.20
CN(C(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004574966	1	33	-1.0	-51.59	295.80	8.30	-43.29
CC1=CC(C)=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004574967	0	33	-1.0	-47.92	281.59	7.80	-40.12
CC1=CC(C)=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004574967	1	33	-1.0	-47.85	281.74	7.79	-40.06
CC(=CC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004574968	0	30	-1.0	-50.79	266.40	7.26	-43.53
CC(=CC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004574968	1	30	-1.0	-50.86	266.26	7.25	-43.61
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004574969	0	27	-1.0	-45.14	248.49	4.77	-40.37
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004574969	1	27	-1.0	-45.09	248.63	4.77	-40.32
COC(=O)C1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004574970	0	32	-1.0	-53.15	277.31	6.33	-46.82
COC(=O)C1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004574970	1	32	-1.0	-53.24	277.18	6.37	-46.87
CCC1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574971	0	29	-1.0	-45.37	271.54	4.61	-40.76
CCC1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574971	1	29	-1.0	-45.40	271.39	4.64	-40.76
CN(C(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=NN=N[N-]1	REAL250004574972	0	30	-1.0	-49.07	270.16	7.56	-41.51
CN(C(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=N[N-]N=N1	REAL250004574972	1	30	-1.0	-49.00	270.30	7.57	-41.43
CN(C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004574973	0	26	-1.0	-46.26	245.63	5.94	-40.32
CN(C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004574973	1	26	-1.0	-46.35	245.49	5.97	-40.38
CN(C(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004574974	0	31	-1.0	-49.80	278.52	7.67	-42.13
CN(C(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004574974	1	31	-1.0	-49.86	278.38	7.71	-42.15
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC(C)C	REAL250004574975	0	38	-1.0	-47.49	307.98	6.28	-41.21
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC(C)C	REAL250004574975	1	38	-1.0	-47.58	307.83	6.31	-41.27
CN(C(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004574976	0	30	-1.0	-51.11	266.33	6.19	-44.92
CN(C(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004574976	1	30	-1.0	-51.02	266.48	6.17	-44.85
CC(C)NC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574977	0	36	-1.0	-51.21	300.17	4.84	-46.37
CC(C)NC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574977	1	36	-1.0	-51.15	300.31	4.84	-46.31
CN(C(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL250004574978	0	30	-1.0	-50.67	261.05	6.49	-44.18
CN(C(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL250004574978	1	30	-1.0	-50.58	261.20	6.50	-44.08
COC1=CC2=C(CC(=O)N(C)C3=NN=N[N-]3)C=CC=C2C=C1	REAL250004574979	0	36	-1.0	-53.46	301.74	7.42	-46.04
COC1=CC2=C(CC(=O)N(C)C3=N[N-]N=N3)C=CC=C2C=C1	REAL250004574979	1	36	-1.0	-53.33	301.87	7.38	-45.95
CN(C(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004574980	0	39	-1.0	-49.87	303.31	7.50	-42.37
CN(C(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004574980	1	39	-1.0	-49.91	303.17	7.53	-42.38
CN(C(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL250004574981	0	34	-1.0	-49.67	276.41	5.53	-44.14
CN(C(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL250004574981	1	34	-1.0	-49.66	276.54	5.53	-44.13
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004574982	0	27	-1.0	-55.86	239.15	4.34	-51.52
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004574982	1	27	-1.0	-55.81	239.29	4.31	-51.50
CN(C(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004574983	0	32	-1.0	-60.51	285.83	7.70	-52.81
CN(C(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004574983	1	32	-1.0	-60.41	285.96	7.67	-52.74
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004574984	0	32	-1.0	-48.54	280.20	7.13	-41.41
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004574984	1	32	-1.0	-48.44	280.35	7.12	-41.32
COC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574985	0	30	-1.0	-41.90	266.36	5.22	-36.68
COC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574985	1	30	-1.0	-42.02	266.23	5.26	-36.76
CN(C(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL250004574986	0	34	-1.0	-51.12	290.14	4.91	-46.21
CN(C(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL250004574986	1	34	-1.0	-51.06	290.28	4.92	-46.14
CN(C(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL250004574987	0	33	-1.0	-47.49	278.11	4.17	-43.32
CN(C(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL250004574987	1	33	-1.0	-47.38	278.25	4.15	-43.23
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL250004574988	0	26	-1.0	-44.99	241.69	6.09	-38.90
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL250004574988	1	26	-1.0	-45.11	241.55	6.09	-39.02
CC(C)CC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004574989	0	41	-1.0	-33.03	321.13	9.27	-23.76
CC(C)CC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004574989	1	41	-1.0	-33.05	320.99	9.28	-23.77
CN(C(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004574990	0	23	-1.0	-44.29	228.75	5.53	-38.76
CN(C(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004574990	1	23	-1.0	-44.41	228.61	5.53	-38.88
CN(C(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004574991	0	34	-1.0	-48.03	270.50	3.41	-44.62
CN(C(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004574991	1	34	-1.0	-48.13	270.36	3.43	-44.70
CN(C(=O)C1=CC=CC2=C1OC(=O)N2C)C1=NN=N[N-]1	REAL250004574992	0	29	-1.0	-63.75	258.49	4.93	-58.82
CN(C(=O)C1=CC=CC2=C1OC(=O)N2C)C1=N[N-]N=N1	REAL250004574992	1	29	-1.0	-63.71	258.63	4.91	-58.80
CN(C(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL250004574993	0	30	-1.0	-46.85	265.67	3.06	-43.79
CN(C(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL250004574993	1	30	-1.0	-46.90	265.53	3.06	-43.84
CN(C(=O)C1=CC(F)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004574994	0	28	-1.0	-54.97	247.06	5.71	-49.26
CN(C(=O)C1=CC(F)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004574994	1	28	-1.0	-54.88	247.21	5.71	-49.17
CC1=NC2=CC=NN2C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004574995	0	31	-1.0	-42.39	271.41	5.13	-37.26
CC1=NC2=CC=NN2C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004574995	1	31	-1.0	-42.33	271.53	5.11	-37.22
CN(C(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL250004574996	0	29	-1.0	-47.89	264.10	4.35	-43.54
CN(C(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL250004574996	1	29	-1.0	-47.81	264.24	4.33	-43.48
CN(C(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL250004574997	0	35	-1.0	-45.66	281.94	1.95	-43.71
CN(C(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL250004574997	1	35	-1.0	-45.60	282.08	1.94	-43.66
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Br	REAL250004574998	0	26	-1.0	-49.37	241.10	6.10	-43.27
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Br	REAL250004574998	1	26	-1.0	-49.44	240.96	6.11	-43.33
CN(C(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL250004574999	0	39	-1.0	-32.40	280.20	7.45	-24.95
CN(C(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL250004574999	1	39	-1.0	-32.46	280.07	7.42	-25.04
CN(C(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004575000	0	23	-1.0	-42.48	224.67	5.47	-37.01
CN(C(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004575000	1	23	-1.0	-42.40	224.81	5.48	-36.92
CN(C(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL250004575001	0	28	-1.0	-57.57	253.93	0.82	-56.75
CN(C(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL250004575001	1	28	-1.0	-57.43	254.07	0.83	-56.60
CN(C(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004575002	0	28	-1.0	-51.79	244.59	5.33	-46.46
CN(C(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004575002	1	28	-1.0	-51.70	244.73	5.32	-46.38
CN(C(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004575003	0	32	-1.0	-49.82	284.74	7.66	-42.16
CN(C(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004575003	1	32	-1.0	-49.90	284.60	7.69	-42.21
COC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575004	0	36	-1.0	-46.84	291.26	6.27	-40.57
COC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575004	1	36	-1.0	-46.93	291.13	6.29	-40.64
CN(C(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL250004575005	0	35	-1.0	-49.68	292.42	6.97	-42.71
CN(C(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL250004575005	1	35	-1.0	-49.75	292.29	7.01	-42.74
CC1=NOC(C)=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004575006	0	34	-1.0	-45.56	276.41	5.81	-39.75
CC1=NOC(C)=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004575006	1	34	-1.0	-45.66	276.27	5.82	-39.84
CN(C(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575007	0	38	-1.0	-49.12	298.80	8.12	-41.00
CN(C(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575007	1	38	-1.0	-49.17	298.67	8.15	-41.02
CCS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575008	0	32	-1.0	-56.69	283.51	3.31	-53.38
CCS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575008	1	32	-1.0	-56.76	283.36	3.31	-53.45
CN(C(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004575009	0	29	-1.0	-61.55	255.38	4.82	-56.73
CN(C(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004575009	1	29	-1.0	-61.45	255.52	4.83	-56.62
COC1=CC=C2C(=C1)OCC2CC(=O)N(C)C1=N[N-]N=N1	REAL250004575010	0	35	-1.0	-46.74	291.93	5.02	-41.72
COC1=CC=C2C(=C1)OCC2CC(=O)N(C)C1=NN=N[N-]1	REAL250004575010	1	35	-1.0	-46.78	291.79	5.05	-41.73
CCC(C)N1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004575011	0	39	-1.0	-46.94	311.38	6.76	-40.18
CCC(C)N1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004575011	1	39	-1.0	-46.97	311.25	6.76	-40.21
CC(C(=O)N(C)C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004575012	0	29	-1.0	-37.90	247.49	6.53	-31.37
CC(C(=O)N(C)C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004575012	1	29	-1.0	-37.95	247.36	6.55	-31.40
CN(C(=O)C(C1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL250004575013	0	33	-1.0	-48.07	270.84	7.62	-40.45
CN(C(=O)C(C1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL250004575013	1	33	-1.0	-47.98	270.97	7.59	-40.39
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004575014	0	35	-1.0	-47.81	290.01	7.63	-40.18
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004575014	1	35	-1.0	-47.88	289.88	7.65	-40.23
CN(C(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL250004575015	0	22	-1.0	-46.49	221.03	4.66	-41.83
CN(C(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL250004575015	1	22	-1.0	-46.43	221.16	4.66	-41.77
CN(C(=O)C1=CC=CN=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575016	0	25	-1.0	-52.36	232.77	4.21	-48.15
CN(C(=O)C1=CC=CN=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575016	1	25	-1.0	-52.32	232.90	4.22	-48.10
CN(C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004575017	0	25	-1.0	-59.14	231.68	4.97	-54.17
CN(C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004575017	1	25	-1.0	-59.08	231.82	4.95	-54.13
CN(C(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL250004575018	0	31	-1.0	-53.95	280.57	5.98	-47.97
CN(C(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL250004575018	1	31	-1.0	-54.01	280.43	6.01	-48.00
CN(C(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL250004575019	0	34	-1.0	-49.45	279.55	5.83	-43.62
CN(C(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL250004575019	1	34	-1.0	-49.41	279.69	5.82	-43.59
COC1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575020	0	36	-1.0	-47.43	280.07	5.38	-42.05
COC1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575020	1	36	-1.0	-47.50	279.94	5.40	-42.10
CN(C(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=NN=N[N-]1	REAL250004575021	0	28	-1.0	-44.57	249.84	5.26	-39.31
CN(C(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=N[N-]N=N1	REAL250004575021	1	28	-1.0	-44.50	249.97	5.27	-39.23
CN(C(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL250004575022	0	29	-1.0	-51.73	264.87	2.91	-48.82
CN(C(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL250004575022	1	29	-1.0	-51.64	265.01	2.90	-48.74
CCC(CC)N1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004575023	0	38	-1.0	-50.66	308.03	6.94	-43.72
CCC(CC)N1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004575023	1	38	-1.0	-50.73	307.89	6.95	-43.78
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1CCCCC1	REAL250004575024	0	39	-1.0	-50.10	311.15	7.30	-42.80
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1CCCCC1	REAL250004575024	1	39	-1.0	-50.16	311.01	7.32	-42.84
CC(CC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004575025	0	32	-1.0	-47.13	275.63	7.37	-39.76
CC(CC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004575025	1	32	-1.0	-47.17	275.49	7.38	-39.79
CN(C(=O)C1=CC=CN=C1OCC(F)F)C1=NN=N[N-]1	REAL250004575026	0	29	-1.0	-59.63	265.69	3.49	-56.14
CN(C(=O)C1=CC=CN=C1OCC(F)F)C1=N[N-]N=N1	REAL250004575026	1	29	-1.0	-59.53	265.83	3.48	-56.05
CN(C(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004575027	0	26	-1.0	-45.33	241.35	5.91	-39.42
CN(C(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004575027	1	26	-1.0	-45.39	241.22	5.94	-39.45
COCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575028	0	29	-1.0	-45.08	260.03	2.38	-42.70
COCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575028	1	29	-1.0	-45.12	259.88	2.38	-42.74
CN(C(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004575029	0	31	-1.0	-63.31	266.66	2.02	-61.29
CN(C(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004575029	1	31	-1.0	-63.36	266.52	2.04	-61.32
COC1=CC=CC=C1SCC(=O)N(C)C1=N[N-]N=N1	REAL250004575030	0	31	-1.0	-51.71	277.09	5.81	-45.90
COC1=CC=CC=C1SCC(=O)N(C)C1=NN=N[N-]1	REAL250004575030	1	31	-1.0	-51.77	276.95	5.84	-45.93
CC(CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575031	0	32	-1.0	-45.83	278.48	7.47	-38.36
CC(CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575031	1	32	-1.0	-45.92	278.35	7.50	-38.42
CN(C(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL250004575032	0	29	-1.0	-47.18	264.02	2.80	-44.38
CN(C(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL250004575032	1	29	-1.0	-47.06	264.17	2.80	-44.26
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL250004575033	0	32	-1.0	-46.60	273.95	4.73	-41.87
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL250004575033	1	32	-1.0	-46.68	273.81	4.76	-41.92
CN(C(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL250004575034	0	33	-1.0	-45.31	278.11	2.46	-42.85
CN(C(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL250004575034	1	33	-1.0	-45.41	277.97	2.48	-42.93
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004575035	0	32	-1.0	-47.78	270.10	7.02	-40.76
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004575035	1	32	-1.0	-47.82	269.96	7.04	-40.78
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004575036	0	32	-1.0	-51.90	278.68	7.16	-44.74
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004575036	1	32	-1.0	-51.83	278.81	7.12	-44.71
CCSC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575037	0	30	-1.0	-48.31	280.60	7.27	-41.04
CCSC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575037	1	30	-1.0	-48.23	280.74	7.27	-40.96
CCC(C(=O)N(C)C1=N[N-]N=N1)C1CCC(C)CC1	REAL250004575038	0	41	-1.0	-49.46	299.32	7.45	-42.01
CCC(C(=O)N(C)C1=NN=N[N-]1)C1CCC(C)CC1	REAL250004575038	1	41	-1.0	-49.50	299.20	7.48	-42.02
CC(C)CN1N=C(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004575039	0	36	-1.0	-41.72	294.63	5.25	-36.47
CC(C)CN1N=C(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004575039	1	36	-1.0	-41.75	294.49	5.28	-36.47
CN(C(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004575040	0	30	-1.0	-47.51	275.96	7.47	-40.04
CN(C(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004575040	1	30	-1.0	-47.58	275.83	7.49	-40.09
CN(C(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004575041	0	27	-1.0	-46.80	257.90	6.66	-40.14
CN(C(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004575041	1	27	-1.0	-46.91	257.76	6.68	-40.23
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1Cl	REAL250004575042	0	26	-1.0	-46.46	245.05	3.99	-42.47
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1Cl	REAL250004575042	1	26	-1.0	-46.42	245.19	3.98	-42.44
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575043	0	29	-1.0	-46.01	255.15	5.99	-40.02
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575043	1	29	-1.0	-45.93	255.30	5.99	-39.94
COC1=CC=CC=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004575044	0	29	-1.0	-48.67	259.19	5.56	-43.11
COC1=CC=CC=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004575044	1	29	-1.0	-48.61	259.32	5.57	-43.04
CN(C(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004575045	0	26	-1.0	-53.11	237.56	6.27	-46.84
CN(C(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004575045	1	26	-1.0	-53.08	237.71	6.26	-46.82
CCC1CCCCC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004575046	0	39	-1.0	-50.97	302.46	7.35	-43.62
CCC1CCCCC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004575046	1	39	-1.0	-51.05	302.33	7.37	-43.68
COC1=CC=C(C(=O)C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004575047	0	29	-1.0	-42.26	277.36	4.85	-37.41
COC1=CC=C(C(=O)C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004575047	1	29	-1.0	-42.30	277.23	4.84	-37.46
C=CCOC1=CC(OC)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575048	0	35	-1.0	-53.08	297.43	5.63	-47.45
C=CCOC1=CC(OC)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575048	1	35	-1.0	-53.00	297.57	5.61	-47.39
CN(C(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL250004575049	0	34	-1.0	-45.66	286.65	2.21	-43.45
CN(C(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL250004575049	1	34	-1.0	-45.55	286.79	2.19	-43.36
CN(C(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004575050	0	27	-1.0	-50.69	249.94	2.28	-48.41
CN(C(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004575050	1	27	-1.0	-50.65	250.08	2.27	-48.38
CN(C(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL250004575051	0	31	-1.0	-48.41	265.83	5.27	-43.14
CN(C(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL250004575051	1	31	-1.0	-48.53	265.70	5.30	-43.23
CC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575052	0	26	-1.0	-44.59	245.83	6.20	-38.39
CC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575052	1	26	-1.0	-44.66	245.69	6.19	-38.47
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004575053	0	31	-1.0	-44.43	274.12	6.92	-37.51
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004575053	1	31	-1.0	-44.49	273.98	6.94	-37.55
CN(C(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL250004575054	0	28	-1.0	-47.00	246.12	3.50	-43.50
CN(C(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL250004575054	1	28	-1.0	-46.88	246.27	3.51	-43.37
CN(C(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004575055	0	36	-1.0	-46.86	275.51	5.00	-41.86
CN(C(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004575055	1	36	-1.0	-46.93	275.38	5.02	-41.91
CN(C(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL250004575056	0	31	-1.0	-50.42	282.42	6.32	-44.10
CN(C(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL250004575056	1	31	-1.0	-50.52	282.28	6.36	-44.16
CN(C(=O)C1=C(Br)N(C)N=C1)C1=NN=N[N-]1	REAL250004575057	0	23	-1.0	-46.09	222.38	3.11	-42.98
CN(C(=O)C1=C(Br)N(C)N=C1)C1=N[N-]N=N1	REAL250004575057	1	23	-1.0	-45.97	222.52	3.11	-42.86
CN(C(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004575058	0	36	-1.0	-45.32	295.99	4.82	-40.50
CN(C(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004575058	1	36	-1.0	-45.27	296.13	4.79	-40.48
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004575059	0	40	-1.0	-47.96	322.80	3.97	-43.99
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004575059	1	40	-1.0	-48.03	322.66	3.96	-44.07
CN(C(=O)C1=CC=NC=C1N1CCCC1)C1=NN=N[N-]1	REAL250004575060	0	34	-1.0	-48.85	268.86	3.62	-45.23
CN(C(=O)C1=CC=NC=C1N1CCCC1)C1=N[N-]N=N1	REAL250004575060	1	34	-1.0	-48.78	269.01	3.59	-45.19
CN(C(=O)C1=C(C2CCCC2)N=CS1)C1=N[N-]N=N1	REAL250004575061	0	32	-1.0	-46.14	268.69	5.26	-40.88
CN(C(=O)C1=C(C2CCCC2)N=CS1)C1=NN=N[N-]1	REAL250004575061	1	32	-1.0	-46.22	268.54	5.29	-40.93
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004575062	0	32	-1.0	-48.84	278.74	5.43	-43.41
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004575062	1	32	-1.0	-48.75	278.88	5.41	-43.34
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004575063	0	29	-1.0	-48.99	258.20	6.64	-42.35
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004575063	1	29	-1.0	-48.91	258.33	6.65	-42.26
CC1=CC=C(F)C=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004575064	0	28	-1.0	-46.75	254.06	5.68	-41.07
CC1=CC=C(F)C=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004575064	1	28	-1.0	-46.73	254.19	5.68	-41.05
CC(C)C1CC(CC(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004575065	0	39	-1.0	-46.69	299.74	5.96	-40.73
CC(C)C1CC(CC(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004575065	1	39	-1.0	-46.76	299.60	5.99	-40.77
CN(C(=O)C1=CN(CC2(C)COC2)N=N1)C1=NN=N[N-]1	REAL250004575066	0	33	-1.0	-48.47	278.23	2.66	-45.81
CN(C(=O)C1=CN(CC2(C)COC2)N=N1)C1=N[N-]N=N1	REAL250004575066	1	33	-1.0	-48.39	278.37	2.63	-45.76
COC1=CC2=C(C=C1C(=O)N(C)C1=NN=N[N-]1)OCO2	REAL250004575067	0	30	-1.0	-49.76	259.28	3.47	-46.29
COC1=CC2=C(C=C1C(=O)N(C)C1=N[N-]N=N1)OCO2	REAL250004575067	1	30	-1.0	-49.68	259.42	3.46	-46.22
CCC1CC(CC(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004575068	0	36	-1.0	-46.83	282.72	5.44	-41.39
CCC1CC(CC(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004575068	1	36	-1.0	-46.96	282.59	5.46	-41.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004575069	0	39	-1.0	-46.93	304.76	6.61	-40.32
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004575069	1	39	-1.0	-47.01	304.61	6.61	-40.40
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)S2)O1	REAL250004575070	0	30	-1.0	-46.64	276.63	6.57	-40.07
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)S2)O1	REAL250004575070	1	30	-1.0	-46.56	276.78	6.57	-39.99
CN(C(=O)C1=CC2=NC=CN=C2N=C1)C1=NN=N[N-]1	REAL250004575071	0	26	-1.0	-49.50	233.55	2.42	-47.08
CN(C(=O)C1=CC2=NC=CN=C2N=C1)C1=N[N-]N=N1	REAL250004575071	1	26	-1.0	-49.44	233.69	2.41	-47.03
CN(C(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NN=N[N-]1	REAL250004575072	0	32	-1.0	-52.43	281.10	7.04	-45.39
CN(C(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=N[N-]N=N1	REAL250004575072	1	32	-1.0	-52.32	281.24	7.04	-45.28
CN(C(=O)C1=CC2=C(C=N1)OCCC2)C1=NN=N[N-]1	REAL250004575073	0	30	-1.0	-47.88	252.94	4.88	-43.00
CN(C(=O)C1=CC2=C(C=N1)OCCC2)C1=N[N-]N=N1	REAL250004575073	1	30	-1.0	-47.83	253.08	4.86	-42.97
CN(C(=O)C1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL250004575074	0	29	-1.0	-63.45	246.97	2.22	-61.23
CN(C(=O)C1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL250004575074	1	29	-1.0	-63.53	246.84	2.24	-61.29
CC(C)OC1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004575075	0	31	-1.0	-44.12	268.24	2.70	-41.42
CC(C)OC1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004575075	1	31	-1.0	-44.04	268.38	2.68	-41.36
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)N2N=CN=C2N1C	REAL250004575076	0	35	-1.0	-45.77	281.48	8.06	-37.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)N2N=CN=C2N1C	REAL250004575076	1	35	-1.0	-45.69	281.64	8.06	-37.63
CN(C(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=N[N-]N=N1	REAL250004575077	0	34	-1.0	-46.89	282.14	8.23	-38.66
CN(C(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=NN=N[N-]1	REAL250004575077	1	34	-1.0	-46.93	282.00	8.26	-38.67
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004575078	0	31	-1.0	-46.63	269.09	6.89	-39.74
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004575078	1	31	-1.0	-46.68	268.95	6.91	-39.77
COC1=CC=C2CCC(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575079	0	34	-1.0	-48.60	278.11	6.12	-42.48
COC1=CC=C2CCC(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575079	1	34	-1.0	-48.65	277.97	6.14	-42.51
COC(=O)C12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)C2	REAL250004575080	0	36	-1.0	-52.39	285.35	6.01	-46.38
COC(=O)C12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)C2	REAL250004575080	1	36	-1.0	-52.45	285.22	6.03	-46.42
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004575081	0	41	-1.0	-47.78	324.13	6.90	-40.88
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004575081	1	41	-1.0	-47.86	323.99	6.91	-40.95
CCN1C=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575082	0	28	-1.0	-58.55	252.99	5.83	-52.72
CCN1C=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575082	1	28	-1.0	-58.49	253.13	5.82	-52.67
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(Cl)S1	REAL250004575083	0	22	-1.0	-44.84	223.52	4.24	-40.60
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(Cl)S1	REAL250004575083	1	22	-1.0	-44.79	223.66	4.22	-40.57
CC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004575084	0	23	-1.0	-47.50	225.93	4.97	-42.53
CC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004575084	1	23	-1.0	-47.42	226.07	4.96	-42.46
CN(C(=O)C(F)(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004575085	0	30	-1.0	-39.25	246.59	3.80	-35.45
CN(C(=O)C(F)(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004575085	1	30	-1.0	-39.32	246.46	3.83	-35.49
COC1=CC(OC2CC2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575086	0	35	-1.0	-51.57	293.03	6.06	-45.51
COC1=CC(OC2CC2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575086	1	35	-1.0	-51.57	293.17	6.04	-45.53
CN(C(=O)C1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004575087	0	33	-1.0	-47.25	268.71	7.51	-39.74
CN(C(=O)C1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004575087	1	33	-1.0	-47.18	268.84	7.53	-39.65
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004575088	0	28	-1.0	-46.61	258.89	6.32	-40.29
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004575088	1	28	-1.0	-46.54	259.03	6.32	-40.22
CCCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1CC	REAL250004575089	0	38	-1.0	-47.19	305.50	6.15	-41.04
CCCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1CC	REAL250004575089	1	38	-1.0	-47.27	305.36	6.17	-41.10
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004575091	0	41	-1.0	-46.90	323.07	6.66	-40.24
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004575091	1	41	-1.0	-46.99	322.93	6.68	-40.31
CN(C(=O)C(F)(F)C1=NC=CS1)C1=NN=N[N-]1	REAL250004575092	0	22	-1.0	-45.24	222.09	3.31	-41.93
CN(C(=O)C(F)(F)C1=NC=CS1)C1=N[N-]N=N1	REAL250004575092	1	22	-1.0	-45.20	222.23	3.29	-41.91
CN(C(=O)C1=CC(Br)=NN1C)C1=NN=N[N-]1	REAL250004575093	0	23	-1.0	-40.99	222.06	3.24	-37.75
CN(C(=O)C1=CC(Br)=NN1C)C1=N[N-]N=N1	REAL250004575093	1	23	-1.0	-40.92	222.20	3.22	-37.70
CC(C)CC1=CC=C([C@H](C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575094	0	41	-1.0	-33.10	321.50	9.28	-23.82
CC(C)CC1=CC=C([C@H](C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575094	1	41	-1.0	-33.17	321.32	9.27	-23.90
CCCOC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575095	0	32	-1.0	-55.79	270.07	6.46	-49.33
CCCOC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575095	1	32	-1.0	-55.77	270.22	6.44	-49.33
COCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575096	0	37	-1.0	-50.73	314.84	5.47	-45.26
COCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575096	1	37	-1.0	-50.82	314.71	5.50	-45.32
CN(C(=O)C(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004575097	0	22	-1.0	-39.52	231.84	4.88	-34.64
CN(C(=O)C(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004575097	1	22	-1.0	-39.57	231.71	4.89	-34.68
COC(C)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004575098	0	33	-1.0	-50.37	263.39	5.52	-44.85
COC(C)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004575098	1	33	-1.0	-50.42	263.26	5.54	-44.88
CCC1=NN(C)C(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575099	0	38	-1.0	-51.61	314.74	6.20	-45.41
CCC1=NN(C)C(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575099	1	38	-1.0	-51.68	314.60	6.24	-45.44
CCOC1=C(Cl)C=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575100	0	33	-1.0	-51.42	297.58	6.84	-44.58
CCOC1=C(Cl)C=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575100	1	33	-1.0	-51.47	297.44	6.87	-44.60
CN(C(=O)C1=C(Cl)C=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004575101	0	23	-1.0	-44.08	247.10	6.04	-38.04
CN(C(=O)C1=C(Cl)C=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004575101	1	23	-1.0	-44.13	246.96	6.05	-38.08
CN(C(=O)C1=CC=NC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575102	0	25	-1.0	-48.57	233.07	4.13	-44.44
CN(C(=O)C1=CC=NC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575102	1	25	-1.0	-48.45	233.20	4.12	-44.33
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575103	0	30	-1.0	-48.95	267.23	6.67	-42.28
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575103	1	30	-1.0	-48.99	267.09	6.69	-42.30
CN(C(=O)C1C2CCC(O2)C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575104	0	31	-1.0	-57.40	252.41	4.82	-52.58
CN(C(=O)C1C2CCC(O2)C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575104	1	31	-1.0	-57.48	252.27	4.82	-52.66
CN(C(=O)C1=CN(CC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004575105	0	26	-1.0	-49.50	243.80	4.07	-45.43
CN(C(=O)C1=CN(CC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004575105	1	26	-1.0	-49.43	243.94	4.04	-45.39
CC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004575106	0	33	-1.0	-48.84	277.56	4.68	-44.16
CC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004575106	1	33	-1.0	-48.80	277.71	4.67	-44.13
CC(=O)NC1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575107	0	33	-1.0	-57.93	278.09	4.52	-53.41
CC(=O)NC1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575107	1	33	-1.0	-57.88	278.23	4.50	-53.38
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004575108	0	32	-1.0	-46.72	276.78	7.26	-39.46
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004575108	1	32	-1.0	-46.66	276.93	7.27	-39.39
CCCN1C(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004575109	0	36	-1.0	-46.99	294.53	8.15	-38.84
CCCN1C(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004575109	1	36	-1.0	-46.94	294.68	8.14	-38.80
CN(C(=O)CC1CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL250004575110	0	38	-1.0	-49.15	295.19	5.12	-44.03
CN(C(=O)CC1CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL250004575110	1	38	-1.0	-49.18	295.06	5.13	-44.05
COC1C2CC3CC1CC(C(=O)N(C)C1=N[N-]N=N1)(C3)C2	REAL250004575111	0	41	-1.0	-33.67	284.75	5.69	-27.98
COC1C2CC3CC1CC(C(=O)N(C)C1=NN=N[N-]1)(C3)C2	REAL250004575111	1	41	-1.0	-33.69	284.63	5.72	-27.97
CN(C(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004575112	0	33	-1.0	-57.85	288.69	4.07	-53.78
CN(C(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004575112	1	33	-1.0	-57.73	288.82	4.04	-53.69
CC1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004575113	0	36	-1.0	-52.04	307.14	8.27	-43.77
CC1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004575113	1	36	-1.0	-51.98	307.28	8.26	-43.72
CCCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004575114	0	32	-1.0	-44.81	279.92	7.49	-37.32
CCCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004575114	1	32	-1.0	-44.71	280.07	7.50	-37.21
CCCCCC(C)(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004575115	0	40	-1.0	-31.38	290.57	6.85	-24.53
CCCCCC(C)(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004575115	1	40	-1.0	-31.40	290.43	6.84	-24.56
CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575116	0	37	-1.0	-62.05	298.96	5.19	-56.86
CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575116	1	37	-1.0	-62.11	298.82	5.19	-56.92
CC1=CC=C(Br)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575117	0	25	-1.0	-48.37	245.95	4.28	-44.09
CC1=CC=C(Br)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575117	1	25	-1.0	-48.27	246.09	4.28	-43.99
CN(C(=O)C1=NOC2=C1CCCCC2)C1=N[N-]N=N1	REAL250004575118	0	32	-1.0	-46.01	256.22	6.02	-39.99
CN(C(=O)C1=NOC2=C1CCCCC2)C1=NN=N[N-]1	REAL250004575118	1	32	-1.0	-46.09	256.08	6.01	-40.08
CC(=O)[C@@H]1C[C@H](C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004575119	0	34	-1.0	-56.16	268.35	5.69	-50.47
CC(=O)[C@@H]1C[C@H](C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004575119	1	34	-1.0	-56.25	268.22	5.72	-50.53
CN(C(=O)C1=CC(Cl)=NC=C1Cl)C1=NN=N[N-]1	REAL250004575120	0	22	-1.0	-41.92	230.13	4.09	-37.83
CN(C(=O)C1=CC(Cl)=NC=C1Cl)C1=N[N-]N=N1	REAL250004575120	1	22	-1.0	-41.88	230.28	4.09	-37.79
CN(C(=O)C1(CC2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004575121	0	33	-1.0	-57.31	282.46	7.65	-49.66
CN(C(=O)C1(CC2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004575121	1	33	-1.0	-57.40	282.32	7.68	-49.72
COC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004575122	0	31	-1.0	-53.14	277.96	4.51	-48.63
COC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004575122	1	31	-1.0	-53.05	278.10	4.50	-48.55
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004575123	0	36	-1.0	-48.22	276.00	7.50	-40.72
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004575123	1	36	-1.0	-48.16	276.13	7.47	-40.69
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004575124	0	32	-1.0	-36.26	266.20	6.54	-29.72
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004575124	1	32	-1.0	-36.35	266.08	6.54	-29.81
COCCN1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575125	0	30	-1.0	-46.53	255.69	2.65	-43.88
COCCN1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575125	1	30	-1.0	-46.46	255.83	2.63	-43.83
CN(C(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=NN=N[N-]1	REAL250004575126	0	29	-1.0	-51.43	273.87	5.83	-45.60
CN(C(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=N[N-]N=N1	REAL250004575126	1	29	-1.0	-51.35	274.01	5.82	-45.53
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004575127	0	29	-1.0	-48.60	265.31	5.66	-42.94
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004575127	1	29	-1.0	-48.69	265.17	5.66	-43.03
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004575128	0	34	-1.0	-49.95	297.09	5.12	-44.83
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004575128	1	34	-1.0	-49.89	297.24	5.09	-44.80
CC1=CC2=C(C=C1C)C(C(=O)N(C)C1=N[N-]N=N1)CO2	REAL250004575129	0	34	-1.0	-50.89	278.21	6.02	-44.87
CC1=CC2=C(C=C1C)C(C(=O)N(C)C1=NN=N[N-]1)CO2	REAL250004575129	1	34	-1.0	-50.99	278.07	6.04	-44.95
CN(C(=O)C1=CC=C(OC(F)F)C=N1)C1=NN=N[N-]1	REAL250004575130	0	26	-1.0	-48.36	238.54	3.76	-44.60
CN(C(=O)C1=CC=C(OC(F)F)C=N1)C1=N[N-]N=N1	REAL250004575130	1	26	-1.0	-48.29	238.68	3.73	-44.56
CN(C(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004575131	0	29	-1.0	-43.13	261.49	5.62	-37.51
CN(C(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004575131	1	29	-1.0	-43.07	261.63	5.60	-37.47
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N=C1C	REAL250004575132	0	33	-1.0	-43.61	278.99	4.94	-38.67
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N=C1C	REAL250004575132	1	33	-1.0	-43.56	279.13	4.94	-38.62
CN(C(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004575133	0	33	-1.0	-52.27	289.14	7.26	-45.01
CN(C(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004575133	1	33	-1.0	-52.19	289.28	7.24	-44.95
COCCN1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575134	0	30	-1.0	-49.87	262.85	3.30	-46.57
COCCN1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575134	1	30	-1.0	-49.83	262.99	3.29	-46.54
C=CCSC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575135	0	31	-1.0	-52.07	271.65	7.31	-44.76
C=CCSC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575135	1	31	-1.0	-52.02	271.79	7.30	-44.72
CN(C(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=N[N-]N=N1	REAL250004575136	0	33	-1.0	-52.35	285.62	7.82	-44.53
CN(C(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=NN=N[N-]1	REAL250004575136	1	33	-1.0	-52.44	285.48	7.85	-44.59
CSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004575137	0	29	-1.0	-63.33	272.43	6.98	-56.35
CSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004575137	1	29	-1.0	-63.23	272.57	6.97	-56.26
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004575138	0	26	-1.0	-44.37	247.38	5.99	-38.38
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004575138	1	26	-1.0	-44.44	247.24	5.98	-38.46
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004575139	0	34	-1.0	-49.96	287.02	7.38	-42.58
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004575139	1	34	-1.0	-49.85	287.19	7.38	-42.47
CN(C(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL250004575140	0	33	-1.0	-53.02	286.86	8.23	-44.79
CN(C(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL250004575140	1	33	-1.0	-53.14	286.69	8.23	-44.91
CN(C(=O)CSCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575141	0	32	-1.0	-58.50	294.35	7.22	-51.28
CN(C(=O)CSCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575141	1	32	-1.0	-58.57	294.21	7.25	-51.32
CN(C(=O)C1=CSC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004575142	0	22	-1.0	-44.84	230.74	3.97	-40.87
CN(C(=O)C1=CSC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004575142	1	22	-1.0	-44.74	230.89	3.96	-40.78
CN(C)C1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575143	0	37	-1.0	-47.29	303.79	7.19	-40.10
CN(C)C1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575143	1	37	-1.0	-47.36	303.65	7.22	-40.14
CN(C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004575144	0	25	-1.0	-39.60	230.67	4.44	-35.16
CN(C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004575144	1	25	-1.0	-39.53	230.81	4.42	-35.11
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004575145	0	36	-1.0	-49.53	297.10	8.05	-41.48
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004575145	1	36	-1.0	-49.42	297.24	8.02	-41.40
COC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004575146	0	30	-1.0	-45.32	267.75	5.48	-39.84
COC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004575146	1	30	-1.0	-45.23	267.89	5.44	-39.79
CN(C(=O)C1=C2C=CC=CC2=NN1C)C1=NN=N[N-]1	REAL250004575147	0	29	-1.0	-45.49	258.00	5.11	-40.38
CN(C(=O)C1=C2C=CC=CC2=NN1C)C1=N[N-]N=N1	REAL250004575147	1	29	-1.0	-45.40	258.15	5.10	-40.30
CC1=COC(C2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575148	0	33	-1.0	-52.38	287.56	7.52	-44.86
CC1=COC(C2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575148	1	33	-1.0	-52.28	287.70	7.51	-44.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(CC2CC2)=N1	REAL250004575149	0	32	-1.0	-42.99	274.37	3.77	-39.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(CC2CC2)=N1	REAL250004575149	1	32	-1.0	-43.10	274.23	3.79	-39.31
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(CC2CC2)=N1	REAL250004575150	0	32	-1.0	-44.23	279.30	5.64	-38.59
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(CC2CC2)=N1	REAL250004575150	1	32	-1.0	-44.30	279.15	5.67	-38.63
CC1=C(C)C=C2C(C(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004575151	0	32	-1.0	-51.66	271.20	6.68	-44.98
CC1=C(C)C=C2C(C(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004575151	1	32	-1.0	-51.60	271.35	6.65	-44.95
CN(C(=O)C1CC12CCS(=O)(=O)CC2)C1=N[N-]N=N1	REAL250004575152	0	33	-1.0	-57.31	279.33	2.79	-54.52
CN(C(=O)C1CC12CCS(=O)(=O)CC2)C1=NN=N[N-]1	REAL250004575152	1	33	-1.0	-57.38	279.19	2.80	-54.58
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004575153	0	27	-1.0	-41.70	257.26	4.91	-36.79
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004575153	1	27	-1.0	-41.74	257.12	4.93	-36.81
COCC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575154	0	33	-1.0	-48.52	284.93	5.69	-42.83
COCC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575154	1	33	-1.0	-48.58	284.79	5.72	-42.86
C=CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004575155	0	33	-1.0	-48.57	277.31	7.56	-41.01
C=CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004575155	1	33	-1.0	-48.46	277.44	7.54	-40.92
CN(C(=O)CCC1=NC=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004575156	0	37	-1.0	-47.06	309.75	4.23	-42.83
CN(C(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004575156	1	37	-1.0	-47.10	309.62	4.27	-42.83
COC1=NC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004575157	0	29	-1.0	-49.89	260.83	1.19	-48.70
COC1=NC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004575157	1	29	-1.0	-49.93	260.68	1.19	-48.74
CN(C(=O)CCC1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004575158	0	32	-1.0	-49.63	277.33	5.43	-44.20
CN(C(=O)CCC1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004575158	1	32	-1.0	-49.67	277.19	5.46	-44.21
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004575159	0	26	-1.0	-48.12	244.34	5.01	-43.11
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004575159	1	26	-1.0	-48.22	244.20	5.04	-43.18
CCSCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004575160	0	29	-1.0	-45.52	269.22	5.79	-39.73
CCSCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004575160	1	29	-1.0	-45.56	269.09	5.80	-39.76
CN(C(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004575161	0	24	-1.0	-40.15	233.31	3.27	-36.88
CN(C(=O)C1=CN=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004575161	1	24	-1.0	-40.08	233.45	3.25	-36.83
CN(C(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL250004575162	0	36	-1.0	-57.12	291.41	7.95	-49.17
CN(C(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL250004575162	1	36	-1.0	-57.16	291.28	7.96	-49.20
CN(C(=O)C1=NOC(COC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004575163	0	35	-1.0	-45.00	292.86	4.86	-40.14
CN(C(=O)C1=NOC(COC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004575163	1	35	-1.0	-45.05	292.72	4.87	-40.18
C[C@H](OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575164	0	33	-1.0	-51.48	281.06	6.87	-44.61
C[C@H](OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575164	1	33	-1.0	-51.60	280.93	6.90	-44.70
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004575165	0	25	-1.0	-42.26	235.15	4.17	-38.09
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004575165	1	25	-1.0	-42.20	235.29	4.18	-38.02
CN(C(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NN=N[N-]1	REAL250004575166	0	31	-1.0	-53.15	274.53	6.44	-46.71
CN(C(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=N[N-]N=N1	REAL250004575166	1	31	-1.0	-53.06	274.67	6.44	-46.62
CN(C(=O)CCCCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004575167	0	38	-1.0	-49.83	322.17	9.19	-40.64
CN(C(=O)CCCCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004575167	1	38	-1.0	-49.93	322.04	9.22	-40.71
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1Cl	REAL250004575168	0	31	-1.0	-50.72	277.29	5.31	-45.41
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1Cl	REAL250004575168	1	31	-1.0	-50.69	277.44	5.31	-45.38
COC1=CC=C(F)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575169	0	30	-1.0	-49.24	264.58	5.39	-43.85
COC1=CC=C(F)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575169	1	30	-1.0	-49.33	264.45	5.43	-43.90
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575170	0	33	-1.0	-50.41	281.93	7.45	-42.96
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575170	1	33	-1.0	-50.31	282.07	7.43	-42.88
CN(C(=O)C1=C(F)C=CC(F)=C1F)C1=N[N-]N=N1	REAL250004575171	0	23	-1.0	-51.47	228.02	5.27	-46.20
CN(C(=O)C1=C(F)C=CC(F)=C1F)C1=NN=N[N-]1	REAL250004575171	1	23	-1.0	-51.52	227.88	5.28	-46.24
CN(C(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=NN=N[N-]1	REAL250004575172	0	29	-1.0	-48.16	263.68	4.77	-43.39
CN(C(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=N[N-]N=N1	REAL250004575172	1	29	-1.0	-48.03	263.82	4.75	-43.28
CN(C(=O)CCC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575173	0	34	-1.0	-48.38	289.03	7.16	-41.22
CN(C(=O)CCC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575173	1	34	-1.0	-48.34	289.16	7.12	-41.22
COC(=O)CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575174	0	32	-1.0	-54.13	279.93	6.35	-47.78
COC(=O)CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575174	1	32	-1.0	-54.07	280.07	6.37	-47.70
CCOC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004575175	0	37	-1.0	-48.87	310.24	7.45	-41.42
CCOC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004575175	1	37	-1.0	-48.91	310.09	7.45	-41.46
CN(C(=O)C1=COC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004575176	0	35	-1.0	-44.55	287.18	4.85	-39.70
CN(C(=O)C1=COC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004575176	1	35	-1.0	-44.63	287.03	4.88	-39.75
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575177	0	33	-1.0	-56.42	288.61	5.37	-51.05
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575177	1	33	-1.0	-56.29	288.75	5.36	-50.93
CN(C(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL250004575178	0	24	-1.0	-46.17	238.33	5.70	-40.47
CN(C(=O)C1=CC=C(C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL250004575178	1	24	-1.0	-46.07	238.47	5.71	-40.36
C=CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004575179	0	36	-1.0	-47.93	295.69	8.14	-39.79
C=CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004575179	1	36	-1.0	-47.88	295.83	8.11	-39.77
CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CN(C)C1=O	REAL250004575180	0	32	-1.0	-46.51	276.46	5.36	-41.15
CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CN(C)C1=O	REAL250004575180	1	32	-1.0	-46.49	276.59	5.36	-41.13
CN(C(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NN=N[N-]1	REAL250004575181	0	31	-1.0	-56.02	284.43	7.17	-48.85
CN(C(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=N[N-]N=N1	REAL250004575181	1	31	-1.0	-55.89	284.57	7.15	-48.74
CN(C(=O)CC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004575182	0	23	-1.0	-48.03	232.23	5.54	-42.49
CN(C(=O)CC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004575182	1	23	-1.0	-48.13	232.10	5.56	-42.57
CN(C(=O)C1=CC2=C(C=N1)CCCC2)C1=NN=N[N-]1	REAL250004575183	0	32	-1.0	-48.71	262.02	6.69	-42.02
CN(C(=O)C1=CC2=C(C=N1)CCCC2)C1=N[N-]N=N1	REAL250004575183	1	32	-1.0	-48.69	262.16	6.68	-42.01
CCC(C)(C)C1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575184	0	47	-1.0	-47.45	332.72	8.72	-38.73
CCC(C)(C)C1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575184	1	47	-1.0	-47.50	332.58	8.73	-38.77
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004575185	0	32	-1.0	-52.30	278.79	4.77	-47.53
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004575185	1	32	-1.0	-52.26	278.94	4.75	-47.51
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004575186	0	32	-1.0	-30.17	278.71	7.58	-22.59
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004575186	1	32	-1.0	-30.27	278.57	7.60	-22.67
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)CCC2=C1	REAL250004575187	0	34	-1.0	-51.31	278.33	7.38	-43.93
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)CCC2=C1	REAL250004575187	1	34	-1.0	-51.39	278.20	7.40	-43.99
CCN1N=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C21	REAL250004575188	0	34	-1.0	-45.82	288.29	5.63	-40.19
CCN1N=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C21	REAL250004575188	1	34	-1.0	-45.72	288.42	5.61	-40.11
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004575189	0	29	-1.0	-53.36	260.54	6.17	-47.19
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004575189	1	29	-1.0	-53.28	260.68	6.15	-47.13
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004575190	0	36	-1.0	-47.80	295.13	8.50	-39.30
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004575190	1	36	-1.0	-47.93	294.99	8.53	-39.40
CN(C(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=NN=N[N-]1	REAL250004575191	0	28	-1.0	-46.64	259.38	5.91	-40.73
CN(C(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=N[N-]N=N1	REAL250004575191	1	28	-1.0	-46.55	259.53	5.90	-40.65
COCCOC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575192	0	33	-1.0	-47.25	282.77	2.63	-44.62
COCCOC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575192	1	33	-1.0	-47.19	282.92	2.61	-44.58
CCOC(=O)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575193	0	33	-1.0	-48.03	290.24	6.84	-41.19
CCOC(=O)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575193	1	33	-1.0	-48.10	290.10	6.83	-41.27
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004575194	0	33	-1.0	-45.31	289.81	7.10	-38.21
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004575194	1	33	-1.0	-45.23	289.95	7.10	-38.13
CN(C(=O)C1=C2N=NN(C)C2=NC=C1)C1=NN=N[N-]1	REAL250004575195	0	27	-1.0	-58.58	243.04	2.73	-55.85
CN(C(=O)C1=C2N=NN(C)C2=NC=C1)C1=N[N-]N=N1	REAL250004575195	1	27	-1.0	-58.48	243.17	2.73	-55.75
CN(C(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004575196	0	33	-1.0	-51.95	287.26	6.38	-45.57
CN(C(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004575196	1	33	-1.0	-52.03	287.12	6.39	-45.64
CN(C(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004575197	0	38	-1.0	-50.01	322.72	10.47	-39.54
CN(C(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004575197	1	38	-1.0	-50.13	322.59	10.49	-39.64
CN(C(=O)C1C2C3CC4C5CC(C2C35)C41)C1=N[N-]N=N1	REAL250004575198	0	36	-1.0	-48.95	260.05	7.34	-41.61
CN(C(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NN=N[N-]1	REAL250004575198	1	36	-1.0	-49.04	259.91	7.35	-41.69
CN(C(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575199	0	33	-1.0	-48.31	286.02	6.27	-42.04
CN(C(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575199	1	33	-1.0	-48.16	286.17	6.27	-41.89
CN(C(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575200	0	33	-1.0	-54.17	285.27	8.06	-46.11
CN(C(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575200	1	33	-1.0	-54.11	285.41	8.07	-46.04
CC1=C(F)C=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575201	0	26	-1.0	-46.29	249.63	6.11	-40.18
CC1=C(F)C=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575201	1	26	-1.0	-46.21	249.77	6.11	-40.10
COC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575202	0	30	-1.0	-55.65	261.68	4.74	-50.91
COC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575202	1	30	-1.0	-55.58	261.84	4.71	-50.87
CN(C(=O)C1CC1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004575203	0	30	-1.0	-52.42	255.42	7.28	-45.14
CN(C(=O)C1CC1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004575203	1	30	-1.0	-52.54	255.29	7.30	-45.24
CC(C)C(NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575204	0	41	-1.0	-42.72	312.38	4.53	-38.19
CC(C)C(NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575204	1	41	-1.0	-42.73	312.24	4.56	-38.17
CN(C(=O)C(C)(C)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575205	0	39	-1.0	-33.53	309.28	6.44	-27.09
CN(C(=O)C(C)(C)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575205	1	39	-1.0	-33.60	309.13	6.46	-27.14
CN(C(=O)C1(C(F)F)CCCCC1)C1=N[N-]N=N1	REAL250004575206	0	32	-1.0	-29.34	239.53	5.38	-23.96
CN(C(=O)C1(C(F)F)CCCCC1)C1=NN=N[N-]1	REAL250004575206	1	32	-1.0	-29.37	239.38	5.38	-23.99
CN(C(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004575207	0	28	-1.0	-50.25	250.28	3.08	-47.17
CN(C(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004575207	1	28	-1.0	-50.19	250.42	3.06	-47.13
CN(C(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004575208	0	34	-1.0	-56.28	293.42	6.59	-49.69
CN(C(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004575208	1	34	-1.0	-56.18	293.58	6.57	-49.61
CN(C(=O)CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004575209	0	23	-1.0	-46.47	237.13	5.69	-40.78
CN(C(=O)CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004575209	1	23	-1.0	-46.59	237.00	5.73	-40.86
CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004575210	0	31	-1.0	-43.54	264.50	5.20	-38.34
CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004575210	1	31	-1.0	-43.47	264.65	5.19	-38.28
CC1=CC=C2C(C(=O)N(C)C3=NN=N[N-]3)=CSC2=C1	REAL250004575211	0	29	-1.0	-50.18	256.58	6.95	-43.23
CC1=CC=C2C(C(=O)N(C)C3=N[N-]N=N3)=CSC2=C1	REAL250004575211	1	29	-1.0	-50.09	256.26	6.95	-43.14
CN(C(=O)CN1CCC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004575212	0	34	-1.0	-58.95	288.69	6.37	-52.58
CN(C(=O)CN1CCC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004575212	1	34	-1.0	-59.01	288.55	6.40	-52.61
CC1=C(Cl)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575213	0	26	-1.0	-46.23	236.34	6.00	-40.23
CC1=C(Cl)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575213	1	26	-1.0	-46.12	236.47	6.00	-40.12
CN(C(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575215	0	34	-1.0	-56.71	283.69	5.61	-51.10
CN(C(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575215	1	34	-1.0	-56.61	283.83	5.57	-51.04
CCCCCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004575216	0	49	-1.0	-46.61	376.80	10.45	-36.16
CCCCCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004575216	1	49	-1.0	-46.71	376.67	10.47	-36.24
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004575217	0	36	-1.0	-50.62	299.28	7.35	-43.27
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004575217	1	36	-1.0	-50.72	299.14	7.36	-43.36
CN(C(=O)C1CCCC2=NN(C)C=C21)C1=N[N-]N=N1	REAL250004575218	0	33	-1.0	-48.56	269.87	5.07	-43.49
CN(C(=O)C1CCCC2=NN(C)C=C21)C1=NN=N[N-]1	REAL250004575218	1	33	-1.0	-48.61	269.74	5.11	-43.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CC2)=N1	REAL250004575219	0	29	-1.0	-44.89	257.78	4.99	-39.90
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CC2)=N1	REAL250004575219	1	29	-1.0	-44.99	257.80	5.02	-39.97
COC1=COC(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004575220	0	26	-1.0	-48.41	234.90	3.34	-45.07
COC1=COC(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004575220	1	26	-1.0	-48.44	234.77	3.36	-45.08
CN(C(=O)C1=CC2=CC=NC=C2N=C1)C1=NN=N[N-]1	REAL250004575221	0	27	-1.0	-44.30	237.81	3.42	-40.88
CN(C(=O)C1=CC2=CC=NC=C2N=C1)C1=N[N-]N=N1	REAL250004575221	1	27	-1.0	-44.23	237.97	3.42	-40.81
CN(C(=O)C1=CN=C(C2OCCO2)S1)C1=N[N-]N=N1	REAL250004575222	0	28	-1.0	-46.48	256.74	1.64	-44.84
CN(C(=O)C1=CN=C(C2OCCO2)S1)C1=NN=N[N-]1	REAL250004575222	1	28	-1.0	-46.59	256.60	1.67	-44.92
CC1=NC2=C(CCCC2C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575223	0	32	-1.0	-53.87	274.54	5.48	-48.39
CC1=NC2=C(CCCC2C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575223	1	32	-1.0	-53.96	274.41	5.50	-48.46
CN(C(=O)CC1CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004575224	0	36	-1.0	-48.31	294.58	8.55	-39.76
CN(C(=O)CC1CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004575224	1	36	-1.0	-48.35	294.45	8.57	-39.78
CN(C(=O)CCCC1CCOCC1)C1=N[N-]N=N1	REAL250004575225	0	36	-1.0	-47.92	284.69	5.33	-42.59
CN(C(=O)CCCC1CCOCC1)C1=NN=N[N-]1	REAL250004575225	1	36	-1.0	-47.96	284.55	5.37	-42.59
CN(C(=O)C1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004575226	0	33	-1.0	-48.91	266.95	7.46	-41.45
CN(C(=O)C1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004575226	1	33	-1.0	-48.83	267.10	7.47	-41.36
CSC1=C(F)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575227	0	27	-1.0	-50.46	252.47	6.07	-44.39
CSC1=C(F)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575227	1	27	-1.0	-50.39	252.61	6.05	-44.34
CN(C(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004575228	0	36	-1.0	-52.22	300.36	6.74	-45.48
CN(C(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004575228	1	36	-1.0	-52.12	300.58	6.73	-45.39
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004575229	0	29	-1.0	-63.58	262.34	5.25	-58.33
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004575229	1	29	-1.0	-63.56	262.30	5.26	-58.30
CN(C(=O)C1=C2C(=CC=C1)N=CN2C)C1=NN=N[N-]1	REAL250004575230	0	29	-1.0	-48.06	247.06	6.14	-41.92
CN(C(=O)C1=C2C(=CC=C1)N=CN2C)C1=N[N-]N=N1	REAL250004575230	1	29	-1.0	-47.93	247.24	6.12	-41.81
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004575231	0	25	-1.0	-42.48	237.96	3.67	-38.81
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004575231	1	25	-1.0	-42.41	238.09	3.66	-38.75
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004575232	0	30	-1.0	-54.80	259.76	3.52	-51.28
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004575232	1	30	-1.0	-54.70	259.89	3.49	-51.21
CC1=NOC(C)=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575233	0	34	-1.0	-44.06	263.67	4.87	-39.19
CC1=NOC(C)=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575233	1	34	-1.0	-44.12	263.51	4.86	-39.26
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004575234	0	31	-1.0	-45.99	259.37	6.00	-39.99
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004575234	1	31	-1.0	-45.93	259.51	5.99	-39.94
CN(C(=O)C1=CC=NN1CC(F)F)C1=NN=N[N-]1	REAL250004575235	0	26	-1.0	-48.15	231.82	3.79	-44.36
CN(C(=O)C1=CC=NN1CC(F)F)C1=N[N-]N=N1	REAL250004575235	1	26	-1.0	-48.05	231.96	3.78	-44.27
CN(C(=O)C1CCC(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004575236	0	32	-1.0	-31.23	263.74	6.51	-24.72
CN(C(=O)C1CCC(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004575236	1	32	-1.0	-31.27	263.62	6.54	-24.73
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1CC1	REAL250004575237	0	34	-1.0	-48.36	280.48	6.38	-41.98
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1CC1	REAL250004575237	1	34	-1.0	-48.29	280.62	6.37	-41.92
CN(C(=O)C1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004575238	0	29	-1.0	-46.95	253.06	7.24	-39.71
CN(C(=O)C1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004575238	1	29	-1.0	-46.89	253.21	7.23	-39.66
CN(C(=O)C1=CN(C)N=C1C1=COC=C1)C1=NN=N[N-]1	REAL250004575239	0	30	-1.0	-52.64	260.89	4.37	-48.27
CN(C(=O)C1=CN(C)N=C1C1=COC=C1)C1=N[N-]N=N1	REAL250004575239	1	30	-1.0	-52.54	261.03	4.37	-48.17
CC(=O)N[C@H](CC1CCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575240	0	36	-1.0	-57.28	284.89	5.30	-51.98
CC(=O)N[C@H](CC1CCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575240	1	36	-1.0	-57.38	284.76	5.32	-52.06
CC1=CSC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575241	0	28	-1.0	-46.96	257.85	4.48	-42.48
CC1=CSC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575241	1	28	-1.0	-47.04	257.71	4.51	-42.53
CN(C(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL250004575242	0	29	-1.0	-49.95	258.88	5.01	-44.94
CN(C(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL250004575242	1	29	-1.0	-50.00	258.74	5.03	-44.97
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CN=C1	REAL250004575243	0	34	-1.0	-51.86	279.69	5.76	-46.10
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CN=C1	REAL250004575243	1	34	-1.0	-51.80	279.83	5.75	-46.05
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004575244	0	32	-1.0	-51.19	282.96	7.04	-44.15
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004575244	1	32	-1.0	-51.26	282.82	7.07	-44.19
CC1C(C(=O)N(C)C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004575245	0	33	-1.0	-48.07	271.15	7.85	-40.22
CC1C(C(=O)N(C)C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004575245	1	33	-1.0	-48.15	271.01	7.88	-40.27
CC1=CC=CN=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004575246	0	28	-1.0	-48.56	245.96	5.33	-43.23
CC1=CC=CN=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004575246	1	28	-1.0	-48.47	246.10	5.30	-43.17
CSC1=CC=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575247	0	27	-1.0	-55.83	254.48	6.10	-49.73
CSC1=CC=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575247	1	27	-1.0	-55.68	254.62	6.07	-49.61
CN(C(=O)CC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004575248	0	28	-1.0	-41.30	237.99	5.11	-36.19
CN(C(=O)CC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004575248	1	28	-1.0	-41.44	237.86	5.14	-36.30
COC(=O)[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575249	0	35	-1.0	-33.79	279.99	6.12	-27.67
COC(=O)[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575249	1	35	-1.0	-33.84	279.84	6.14	-27.70
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004575250	0	27	-1.0	-44.53	266.43	7.06	-37.47
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004575250	1	27	-1.0	-44.62	266.29	7.09	-37.53
CC1=NC(CN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)=NO1	REAL250004575251	0	30	-1.0	-50.68	276.39	1.26	-49.42
CC1=NC(CN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)=NO1	REAL250004575251	1	30	-1.0	-50.69	276.24	1.29	-49.40
CCSC1=NC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575252	0	28	-1.0	-50.29	253.95	4.49	-45.80
CCSC1=NC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575252	1	28	-1.0	-50.22	254.09	4.47	-45.75
CN(C(=O)C1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL250004575253	0	26	-1.0	-53.38	241.06	4.57	-48.81
CN(C(=O)C1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL250004575253	1	26	-1.0	-53.34	241.20	4.56	-48.78
CN(C(=O)C(C)(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004575254	0	36	-1.0	-31.84	256.58	3.85	-27.99
CN(C(=O)C(C)(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004575254	1	36	-1.0	-31.91	256.42	3.88	-28.03
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004575255	0	29	-1.0	-53.17	260.72	4.54	-48.63
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004575255	1	29	-1.0	-53.05	260.86	4.52	-48.53
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004575256	0	29	-1.0	-43.94	257.28	6.71	-37.23
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004575256	1	29	-1.0	-43.88	257.42	6.69	-37.19
CN(C(=O)C(C)(C)CC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004575257	0	38	-1.0	-38.30	297.37	5.96	-32.34
CN(C(=O)C(C)(C)CC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004575257	1	38	-1.0	-38.40	297.23	5.97	-32.43
CN(C(=O)C1CCC2=C(C1)N(C)N=C2)C1=N[N-]N=N1	REAL250004575258	0	33	-1.0	-47.38	265.61	5.00	-42.38
CN(C(=O)C1CCC2=C(C1)N(C)N=C2)C1=NN=N[N-]1	REAL250004575258	1	33	-1.0	-47.43	265.47	5.02	-42.41
CN(C(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004575259	0	30	-1.0	-46.29	264.11	7.35	-38.94
CN(C(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004575259	1	30	-1.0	-46.42	263.98	7.38	-39.04
CN(C(=O)C1=C(Br)OC=C1)C1=N[N-]N=N1	REAL250004575260	0	20	-1.0	-47.09	205.34	3.72	-43.37
CN(C(=O)C1=C(Br)OC=C1)C1=NN=N[N-]1	REAL250004575260	1	20	-1.0	-47.19	205.19	3.74	-43.45
CN(C(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NN=N[N-]1	REAL250004575261	0	30	-1.0	-44.44	281.79	6.61	-37.83
CN(C(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=N[N-]N=N1	REAL250004575261	1	30	-1.0	-44.36	281.93	6.59	-37.77
CN(C(=O)C1CCCN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575262	0	35	-1.0	-50.97	279.54	5.63	-45.34
CN(C(=O)C1CCCN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575262	1	35	-1.0	-51.11	279.41	5.65	-45.46
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1Cl	REAL250004575263	0	26	-1.0	-52.29	240.91	6.04	-46.25
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1Cl	REAL250004575263	1	26	-1.0	-52.22	241.06	6.05	-46.17
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004575264	0	36	-1.0	-55.80	309.44	7.48	-48.32
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004575264	1	36	-1.0	-55.90	309.30	7.50	-48.40
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL250004575265	0	36	-1.0	-35.56	295.59	8.82	-26.74
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL250004575265	1	36	-1.0	-35.64	295.47	8.85	-26.79
CN(C(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL250004575266	0	33	-1.0	-53.54	286.40	8.19	-45.35
CN(C(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL250004575266	1	33	-1.0	-53.65	286.26	8.17	-45.48
CC1=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2O1	REAL250004575267	0	28	-1.0	-51.22	245.24	2.56	-48.66
CC1=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2O1	REAL250004575267	1	28	-1.0	-51.14	245.38	2.56	-48.58
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004575268	0	28	-1.0	-59.38	245.26	2.68	-56.70
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004575268	1	28	-1.0	-59.28	245.41	2.66	-56.62
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575269	0	32	-1.0	-66.96	284.94	6.30	-60.66
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575269	1	32	-1.0	-66.87	285.08	6.28	-60.59
CN(C(=O)C1=CC2=NC=CN=C2C=C1F)C1=NN=N[N-]1	REAL250004575270	0	27	-1.0	-51.43	242.14	3.38	-48.05
CN(C(=O)C1=CC2=NC=CN=C2C=C1F)C1=N[N-]N=N1	REAL250004575270	1	27	-1.0	-51.36	242.29	3.39	-47.97
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC1CCCC1	REAL250004575271	0	38	-1.0	-46.17	306.21	5.94	-40.23
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC1CCCC1	REAL250004575271	1	38	-1.0	-46.26	306.07	5.97	-40.29
CN(C(=O)C1=CC=C(OC2CCOC2)C=C1)C1=N[N-]N=N1	REAL250004575272	0	35	-1.0	-48.36	288.98	4.60	-43.76
CN(C(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NN=N[N-]1	REAL250004575272	1	35	-1.0	-48.44	288.84	4.60	-43.84
CN(C(=O)C1CC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575273	0	29	-1.0	-48.76	250.45	5.93	-42.83
CN(C(=O)C1CC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575273	1	29	-1.0	-48.71	250.58	5.92	-42.79
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004575274	0	31	-1.0	-51.03	272.57	4.38	-46.65
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004575274	1	31	-1.0	-51.09	272.43	4.39	-46.70
CN(C(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=N[N-]N=N1	REAL250004575275	0	29	-1.0	-48.98	255.48	6.61	-42.37
CN(C(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NN=N[N-]1	REAL250004575275	1	29	-1.0	-49.08	255.34	6.63	-42.45
CC1=CC=CC(Cl)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575276	0	29	-1.0	-47.58	261.00	6.89	-40.69
CC1=CC=CC(Cl)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575276	1	29	-1.0	-47.67	260.87	6.93	-40.74
CN(C(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004575277	0	30	-1.0	-56.94	266.13	6.66	-50.28
CN(C(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004575277	1	30	-1.0	-56.84	266.28	6.65	-50.19
CN(C(=O)C1CCC(=O)C2=CC=CN21)C1=N[N-]N=N1	REAL250004575278	0	30	-1.0	-45.17	254.19	5.25	-39.92
CN(C(=O)C1CCC(=O)C2=CC=CN21)C1=NN=N[N-]1	REAL250004575278	1	30	-1.0	-45.23	254.03	5.27	-39.96
CN(C(=O)C1=CC=CC2=C1OCC2(C)C)C1=NN=N[N-]1	REAL250004575279	0	34	-1.0	-55.98	278.61	6.10	-49.88
CN(C(=O)C1=CC=CC2=C1OCC2(C)C)C1=N[N-]N=N1	REAL250004575279	1	34	-1.0	-55.90	278.76	6.09	-49.81
CN(C(=O)CC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004575280	0	26	-1.0	-48.67	258.97	6.83	-41.84
CN(C(=O)CC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004575280	1	26	-1.0	-48.72	258.83	6.87	-41.85
CN(C(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NN=N[N-]1	REAL250004575281	0	29	-1.0	-47.13	262.98	5.68	-41.45
CN(C(=O)C1=CC(C2CC2)=CN=C1Cl)C1=N[N-]N=N1	REAL250004575281	1	29	-1.0	-47.09	262.93	5.67	-41.42
CN(C(=O)CCC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL250004575282	0	33	-1.0	-56.09	277.25	3.51	-52.58
CN(C(=O)CCC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL250004575282	1	33	-1.0	-56.11	277.11	3.55	-52.56
CN(C(=O)C1(C2CCCCC2)CCCCC1)C1=N[N-]N=N1	REAL250004575283	0	45	-1.0	-54.09	300.10	8.25	-45.84
CN(C(=O)C1(C2CCCCC2)CCCCC1)C1=NN=N[N-]1	REAL250004575283	1	45	-1.0	-54.15	299.96	8.26	-45.89
CN(C(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004575284	0	32	-1.0	-57.77	280.24	6.84	-50.93
CN(C(=O)CN1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004575284	1	32	-1.0	-57.72	280.38	6.82	-50.90
CC1CCC(OCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575285	0	36	-1.0	-51.17	285.09	6.65	-44.52
CC1CCC(OCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575285	1	36	-1.0	-51.28	284.96	6.68	-44.60
CN(C(=O)CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004575286	0	30	-1.0	-53.11	264.40	2.76	-50.35
CN(C(=O)CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004575286	1	30	-1.0	-53.23	264.27	2.78	-50.45
CC1=CC=CC2=C1C(C)CC2CC(=O)N(C)C1=N[N-]N=N1	REAL250004575287	0	39	-1.0	-51.21	302.66	8.80	-42.41
CC1=CC=CC2=C1C(C)CC2CC(=O)N(C)C1=NN=N[N-]1	REAL250004575287	1	39	-1.0	-51.35	302.52	8.83	-42.52
CN(C(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004575288	0	34	-1.0	-58.05	291.50	7.92	-50.13
CN(C(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004575288	1	34	-1.0	-57.89	291.65	7.91	-49.98
CN(C(=O)CCOCC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004575289	0	29	-1.0	-46.06	270.77	4.37	-41.69
CN(C(=O)CCOCC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004575289	1	29	-1.0	-46.18	270.63	4.40	-41.78
COCCOC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575290	0	40	-1.0	-36.38	306.37	4.70	-31.68
COCCOC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575290	1	40	-1.0	-36.42	306.21	4.72	-31.70
CN(C(=O)C(F)CC1CCCCC1)C1=N[N-]N=N1	REAL250004575291	0	35	-1.0	-45.05	275.22	6.89	-38.16
CN(C(=O)C(F)CC1CCCCC1)C1=NN=N[N-]1	REAL250004575291	1	35	-1.0	-45.09	275.09	6.92	-38.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2C)=NO1	REAL250004575292	0	35	-1.0	-47.02	298.40	7.75	-39.27
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2C)=NO1	REAL250004575292	1	35	-1.0	-46.94	298.54	7.72	-39.22
COC1CCCC(CC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004575293	0	36	-1.0	-46.43	282.15	5.24	-41.19
COC1CCCC(CC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004575293	1	36	-1.0	-46.52	282.02	5.26	-41.26
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N1C	REAL250004575294	0	32	-1.0	-50.51	270.79	6.04	-44.47
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N1C	REAL250004575294	1	32	-1.0	-50.47	270.93	6.03	-44.44
CN(C(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NN=N[N-]1	REAL250004575295	0	33	-1.0	-52.53	278.17	6.85	-45.68
CN(C(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=N[N-]N=N1	REAL250004575295	1	33	-1.0	-52.46	278.31	6.85	-45.61
CN(C(=O)CC(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004575296	0	41	-1.0	-45.30	292.45	7.60	-37.70
CN(C(=O)CC(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004575296	1	41	-1.0	-45.36	292.32	7.62	-37.74
CN(C(=O)C(F)=CC1CCCCC1)C1=N[N-]N=N1	REAL250004575297	0	33	-1.0	-41.70	268.25	6.85	-34.85
CN(C(=O)C(F)=CC1CCCCC1)C1=NN=N[N-]1	REAL250004575297	1	33	-1.0	-41.79	268.10	6.87	-34.92
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575298	0	36	-1.0	-52.93	297.08	8.45	-44.48
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575298	1	36	-1.0	-53.05	296.95	8.48	-44.57
CC(C)CN1C=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004575299	0	39	-1.0	-54.72	320.18	8.96	-45.76
CC(C)CN1C=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004575299	1	39	-1.0	-54.56	320.66	8.95	-45.61
CN(C(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004575300	0	28	-1.0	-46.81	252.72	6.58	-40.23
CN(C(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004575300	1	28	-1.0	-46.72	252.87	6.56	-40.16
CN(C(=O)C1=C(C(F)(F)F)SC=N1)C1=NN=N[N-]1	REAL250004575301	0	22	-1.0	-51.33	231.48	3.28	-48.05
CN(C(=O)C1=C(C(F)(F)F)SC=N1)C1=N[N-]N=N1	REAL250004575301	1	22	-1.0	-51.23	231.63	3.26	-47.97
CC(C)CC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575302	0	35	-1.0	-49.54	273.72	7.50	-42.04
CC(C)CC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575302	1	35	-1.0	-49.47	273.85	7.49	-41.98
CN(C(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004575303	0	31	-1.0	-46.19	287.29	7.00	-39.19
CN(C(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004575303	1	31	-1.0	-46.26	287.16	7.02	-39.24
CN(C(=O)C1=NN(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004575304	0	36	-1.0	-48.94	289.47	6.64	-42.30
CN(C(=O)C1=NN(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004575304	1	36	-1.0	-48.87	289.61	6.63	-42.24
CN(C(=O)CCSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575305	0	33	-1.0	-45.81	295.96	8.14	-37.67
CN(C(=O)CCSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575305	1	33	-1.0	-45.84	295.82	8.17	-37.67
CN(C(=O)C1=CC=C2C=CCCC2=C1)C1=NN=N[N-]1	REAL250004575306	0	31	-1.0	-47.82	258.09	7.30	-40.52
CN(C(=O)C1=CC=C2C=CCCC2=C1)C1=N[N-]N=N1	REAL250004575306	1	31	-1.0	-47.72	258.30	7.31	-40.41
CCCOC1=NC(C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575307	0	35	-1.0	-52.45	295.03	4.83	-47.62
CCCOC1=NC(C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575307	1	35	-1.0	-52.33	295.17	4.83	-47.50
CCOC1=NC(C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575308	0	32	-1.0	-52.32	273.53	4.03	-48.29
CCOC1=NC(C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575308	1	32	-1.0	-52.26	273.67	4.03	-48.23
CN(C(=O)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL250004575309	0	22	-1.0	-49.93	215.53	4.84	-45.09
CN(C(=O)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL250004575309	1	22	-1.0	-49.86	215.66	4.83	-45.03
CN(C(=O)CC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004575310	0	29	-1.0	-51.08	264.03	6.90	-44.18
CN(C(=O)CC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004575310	1	29	-1.0	-51.16	263.89	6.93	-44.23
CN(C(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL250004575311	0	30	-1.0	-53.65	265.24	4.72	-48.93
CN(C(=O)C1CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL250004575311	1	30	-1.0	-53.57	265.37	4.70	-48.87
CN(C(=O)C1=CN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004575312	0	31	-1.0	-45.92	263.38	3.89	-42.03
CN(C(=O)C1=CN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004575312	1	31	-1.0	-45.83	263.52	3.86	-41.97
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004575313	0	35	-1.0	-45.99	306.86	7.74	-38.25
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004575313	1	35	-1.0	-45.95	307.00	7.72	-38.23
CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL250004575314	0	40	-1.0	-38.17	317.12	5.52	-32.65
CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL250004575314	1	40	-1.0	-38.19	316.99	5.53	-32.66
CN(C(=O)CC(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575315	0	33	-1.0	-49.14	284.59	7.58	-41.56
CN(C(=O)CC(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575315	1	33	-1.0	-49.24	284.45	7.61	-41.63
CN(C(=O)C1COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004575316	0	28	-1.0	-49.20	256.52	5.34	-43.86
CN(C(=O)C1COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004575316	1	28	-1.0	-49.26	256.38	5.36	-43.90
CN(C(=O)C1=CN=C(Cl)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004575317	0	28	-1.0	-45.82	258.06	5.73	-40.09
CN(C(=O)C1=CN=C(Cl)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004575317	1	28	-1.0	-45.78	258.20	5.71	-40.07
CN(C(=O)C1=CC=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575318	0	30	-1.0	-48.82	256.73	5.99	-42.83
CN(C(=O)C1=CC=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575318	1	30	-1.0	-48.76	256.88	5.97	-42.79
CN(C(=O)C1(S(C)(=O)=O)CCC1)C1=N[N-]N=N1	REAL250004575319	0	29	-1.0	-45.29	246.04	1.44	-43.85
CN(C(=O)C1(S(C)(=O)=O)CCC1)C1=NN=N[N-]1	REAL250004575319	1	29	-1.0	-45.36	245.90	1.46	-43.90
CN(C(=O)C1CCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004575320	0	31	-1.0	-48.57	260.02	2.81	-45.76
CN(C(=O)C1CCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004575320	1	31	-1.0	-48.64	259.89	2.83	-45.81
CCSCC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575321	0	33	-1.0	-49.58	287.06	7.67	-41.91
CCSCC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575321	1	33	-1.0	-49.47	287.21	7.67	-41.80
CN(C(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004575322	0	29	-1.0	-41.19	258.76	4.66	-36.53
CN(C(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004575322	1	29	-1.0	-41.08	258.92	4.63	-36.45
CN(C(=O)CCC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004575323	0	34	-1.0	-48.88	292.31	7.16	-41.72
CN(C(=O)CCC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004575323	1	34	-1.0	-48.84	292.44	7.13	-41.71
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004575324	0	30	-1.0	-49.09	263.64	3.92	-45.17
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004575324	1	30	-1.0	-48.99	263.78	3.91	-45.08
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575325	0	42	-1.0	-33.39	319.23	3.79	-29.60
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575325	1	42	-1.0	-33.44	319.08	3.82	-29.62
CCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004575326	0	36	-1.0	-49.29	300.12	6.87	-42.42
CCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004575326	1	36	-1.0	-49.18	300.26	6.85	-42.33
CN(C(=O)CCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575327	0	34	-1.0	-44.73	280.23	5.80	-38.93
CN(C(=O)CCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575327	1	34	-1.0	-44.79	280.10	5.84	-38.95
CCCOC1=CC(OC)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575328	0	37	-1.0	-52.68	306.03	5.84	-46.84
CCCOC1=CC(OC)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575328	1	37	-1.0	-52.62	306.17	5.82	-46.80
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC(C)C)=C1	REAL250004575329	0	37	-1.0	-52.61	301.66	5.91	-46.70
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC(C)C)=C1	REAL250004575329	1	37	-1.0	-52.52	301.81	5.89	-46.63
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004575330	0	32	-1.0	-42.84	271.08	7.12	-35.72
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004575330	1	32	-1.0	-42.85	270.94	7.12	-35.73
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575331	0	29	-1.0	-47.48	261.44	5.46	-42.02
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575331	1	29	-1.0	-47.42	261.58	5.44	-41.98
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL250004575332	0	32	-1.0	-42.39	277.99	5.60	-36.79
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004575332	1	32	-1.0	-42.33	278.14	5.61	-36.72
CCOC1=NC=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575333	0	32	-1.0	-51.70	277.43	3.36	-48.34
CCOC1=NC=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575333	1	32	-1.0	-51.60	277.58	3.33	-48.27
CC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004575334	0	29	-1.0	-48.17	262.83	6.97	-41.20
CC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004575334	1	29	-1.0	-48.22	262.70	7.00	-41.22
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004575335	0	39	-1.0	-47.56	309.87	6.77	-40.79
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004575335	1	39	-1.0	-47.65	309.83	6.78	-40.87
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004575336	0	26	-1.0	-49.44	235.59	6.06	-43.38
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004575336	1	26	-1.0	-49.33	235.73	6.07	-43.26
CCN1N=NC2=C1CCC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004575337	0	35	-1.0	-42.15	280.88	4.88	-37.27
CCN1N=NC2=C1CCC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004575337	1	35	-1.0	-42.12	280.84	4.91	-37.21
CN(C(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NN=N[N-]1	REAL250004575338	0	35	-1.0	-48.07	285.09	7.07	-41.00
CN(C(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=N[N-]N=N1	REAL250004575338	1	35	-1.0	-48.01	285.23	7.08	-40.93
CN(C(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL250004575339	0	28	-1.0	-54.74	259.23	4.95	-49.79
CN(C(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL250004575339	1	28	-1.0	-54.66	259.37	4.93	-49.73
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004575340	0	34	-1.0	-48.68	292.18	4.38	-44.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004575340	1	34	-1.0	-48.72	292.02	4.41	-44.31
CN(C(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NN=N[N-]1	REAL250004575341	0	28	-1.0	-42.02	258.75	5.65	-36.37
CN(C(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=N[N-]N=N1	REAL250004575341	1	28	-1.0	-41.94	258.89	5.65	-36.29
CN(C(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL250004575342	0	31	-1.0	-51.53	281.16	7.28	-44.25
CN(C(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL250004575342	1	31	-1.0	-51.58	281.03	7.31	-44.27
CN(C(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004575343	0	33	-1.0	-49.40	279.93	7.09	-42.31
CN(C(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004575343	1	33	-1.0	-49.47	279.79	7.09	-42.38
CC(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575344	0	39	-1.0	-51.96	308.92	3.24	-48.72
CC(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575344	1	39	-1.0	-52.05	308.78	3.28	-48.77
CN(C(=O)C1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004575345	0	34	-1.0	-50.48	277.99	4.04	-46.44
CN(C(=O)C1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004575345	1	34	-1.0	-50.58	277.85	4.06	-46.52
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NN=N[N-]1	REAL250004575346	0	26	-1.0	-49.51	246.63	1.42	-48.09
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=N[N-]N=N1	REAL250004575346	1	26	-1.0	-49.47	246.76	1.40	-48.07
CCOC(=O)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575347	0	28	-1.0	-42.42	266.18	3.64	-38.78
CCOC(=O)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575347	1	28	-1.0	-42.36	266.32	3.63	-38.73
CN(C(=O)C1=C(C(F)(F)F)N=CS1)C1=NN=N[N-]1	REAL250004575348	0	22	-1.0	-47.89	232.09	3.27	-44.62
CN(C(=O)C1=C(C(F)(F)F)N=CS1)C1=N[N-]N=N1	REAL250004575348	1	22	-1.0	-47.85	232.23	3.25	-44.60
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004575349	0	35	-1.0	-57.79	271.39	4.60	-53.19
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004575349	1	35	-1.0	-57.89	271.25	4.60	-53.29
CC(C)C1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575350	0	35	-1.0	-52.18	292.36	7.38	-44.80
CC(C)C1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575350	1	35	-1.0	-52.05	292.51	7.35	-44.70
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004575351	0	39	-1.0	-54.46	315.72	4.02	-50.44
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004575351	1	39	-1.0	-54.52	315.59	4.05	-50.47
CC1=CN=C(COCC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575352	0	29	-1.0	-57.49	261.75	1.88	-55.61
CC1=CN=C(COCC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575352	1	29	-1.0	-57.53	261.61	1.90	-55.63
COCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575353	0	26	-1.0	-45.67	243.09	1.75	-43.92
COCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575353	1	26	-1.0	-45.80	242.94	1.77	-44.03
CN(C(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL250004575354	0	33	-1.0	-50.12	285.79	5.09	-45.03
CN(C(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL250004575354	1	33	-1.0	-50.06	285.93	5.09	-44.97
CN(C(=O)C1=CC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL250004575355	0	23	-1.0	-41.73	232.67	4.99	-36.74
CN(C(=O)C1=CC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL250004575355	1	23	-1.0	-41.82	232.52	5.01	-36.81
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004575356	0	31	-1.0	-44.95	265.12	3.79	-41.16
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004575356	1	31	-1.0	-45.08	264.98	3.81	-41.27
CC1=CC=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004575357	0	31	-1.0	-48.14	260.24	5.82	-42.32
CC1=CC=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004575357	1	31	-1.0	-48.07	260.38	5.81	-42.26
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NN=N[N-]1	REAL250004575358	0	32	-1.0	-44.93	278.68	5.90	-39.03
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=N[N-]N=N1	REAL250004575358	1	32	-1.0	-44.87	278.82	5.89	-38.98
CN(C(=O)C=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004575359	0	27	-1.0	-47.25	251.62	6.59	-40.66
CN(C(=O)C=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004575359	1	27	-1.0	-47.33	251.47	6.60	-40.73
CCC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004575360	0	36	-1.0	-46.49	301.44	7.10	-39.39
CCC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004575360	1	36	-1.0	-46.55	301.30	7.13	-39.42
CN(C(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL250004575361	0	27	-1.0	-51.44	257.19	0.64	-50.80
CN(C(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL250004575361	1	27	-1.0	-51.41	257.33	0.64	-50.77
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1OC	REAL250004575362	0	34	-1.0	-47.82	280.80	4.94	-42.88
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1OC	REAL250004575362	1	34	-1.0	-47.69	280.95	4.91	-42.78
CN(C(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004575363	0	26	-1.0	-43.87	245.28	3.96	-39.91
CN(C(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004575363	1	26	-1.0	-43.81	245.42	3.95	-39.86
CC1=NN=C(COCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575364	0	28	-1.0	-57.72	265.53	3.12	-54.60
CC1=NN=C(COCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575364	1	28	-1.0	-57.77	265.40	3.15	-54.62
COC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004575365	0	34	-1.0	-55.76	283.45	6.13	-49.63
COC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004575365	1	34	-1.0	-55.84	283.31	6.16	-49.68
CCOC(=O)CC(C)(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004575366	0	37	-1.0	-52.79	291.08	6.31	-46.48
CCOC(=O)CC(C)(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004575366	1	37	-1.0	-52.93	290.95	6.34	-46.59
CCC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575367	0	32	-1.0	-52.02	275.09	6.89	-45.13
CCC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575367	1	32	-1.0	-51.94	275.23	6.86	-45.08
CC(C)OC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575368	0	32	-1.0	-54.12	269.66	4.46	-49.66
CC(C)OC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575368	1	32	-1.0	-54.00	269.80	4.46	-49.54
CC(C)CC1=CC=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575369	0	41	-1.0	-48.01	322.03	8.90	-39.11
CC(C)CC1=CC=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575369	1	41	-1.0	-48.12	321.89	8.93	-39.19
CN(C(=O)C1=CC(C#N)=CC=C1Cl)C1=NN=N[N-]1	REAL250004575370	0	24	-1.0	-47.71	235.02	5.79	-41.92
CN(C(=O)C1=CC(C#N)=CC=C1Cl)C1=N[N-]N=N1	REAL250004575370	1	24	-1.0	-47.62	235.16	5.79	-41.83
CN(C(=O)C1CCCC2CCCCC21)C1=N[N-]N=N1	REAL250004575371	0	39	-1.0	-47.21	283.23	7.50	-39.71
CN(C(=O)C1CCCC2CCCCC21)C1=NN=N[N-]1	REAL250004575371	1	39	-1.0	-47.28	283.09	7.53	-39.75
COC(=O)CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CO1	REAL250004575372	0	29	-1.0	-51.87	257.22	4.59	-47.28
COC(=O)CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CO1	REAL250004575372	1	29	-1.0	-51.97	257.08	4.61	-47.36
CN(C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL250004575373	0	20	-1.0	-48.75	209.39	4.52	-44.23
CN(C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL250004575373	1	20	-1.0	-48.83	209.24	4.53	-44.30
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004575374	0	33	-1.0	-51.13	286.03	6.11	-45.02
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004575374	1	33	-1.0	-51.19	285.89	6.15	-45.04
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575375	0	30	-1.0	-52.87	281.48	0.21	-52.66
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575375	1	30	-1.0	-52.83	281.62	0.20	-52.63
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004575376	0	31	-1.0	-48.69	278.25	5.35	-43.34
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004575376	1	31	-1.0	-48.59	278.40	5.33	-43.26
CN(C(=O)CC1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL250004575377	0	28	-1.0	-51.09	260.87	5.38	-45.71
CN(C(=O)CC1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL250004575377	1	28	-1.0	-50.98	261.01	5.35	-45.63
CN(C(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NN=N[N-]1	REAL250004575378	0	32	-1.0	-50.92	277.13	7.63	-43.29
CN(C(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=N[N-]N=N1	REAL250004575378	1	32	-1.0	-50.83	277.28	7.63	-43.20
CN(C(=O)CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004575379	0	29	-1.0	-51.67	257.65	6.36	-45.31
CN(C(=O)CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004575379	1	29	-1.0	-51.59	257.79	6.33	-45.26
CN(C(=O)COCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004575380	0	30	-1.0	-56.15	265.17	4.02	-52.13
CN(C(=O)COCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004575380	1	30	-1.0	-56.25	265.04	4.05	-52.20
CC(NC(=O)C1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575381	0	36	-1.0	-43.65	286.50	3.90	-39.75
CC(NC(=O)C1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575381	1	36	-1.0	-43.71	286.37	3.92	-39.79
C[C@H](NC(=O)C1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575382	0	39	-1.0	-43.38	304.64	4.56	-38.82
C[C@H](NC(=O)C1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575382	1	39	-1.0	-43.49	304.50	4.59	-38.90
CC1=CC2=C(C)C=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575383	0	34	-1.0	-58.84	284.22	6.74	-52.10
CC1=CC2=C(C)C=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575383	1	34	-1.0	-58.70	284.36	6.72	-51.98
CN(C(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004575384	0	31	-1.0	-45.07	281.86	6.66	-38.41
CN(C(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004575384	1	31	-1.0	-45.13	281.72	6.67	-38.46
CN(C(=O)C1CCC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575385	0	32	-1.0	-47.83	266.19	6.75	-41.08
CN(C(=O)C1CCC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575385	1	32	-1.0	-47.78	266.32	6.72	-41.06
CN(C(=O)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004575386	0	24	-1.0	-49.05	229.37	2.37	-46.68
CN(C(=O)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004575386	1	24	-1.0	-48.97	229.51	2.35	-46.62
CN(C(=O)C1=CC=C(C#N)C(Cl)=N1)C1=NN=N[N-]1	REAL250004575387	0	23	-1.0	-43.58	235.65	4.91	-38.67
CN(C(=O)C1=CC=C(C#N)C(Cl)=N1)C1=N[N-]N=N1	REAL250004575387	1	23	-1.0	-43.50	235.79	4.90	-38.60
CC(NC(=O)CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575388	0	42	-1.0	-37.30	323.41	5.45	-31.85
CC(NC(=O)CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575388	1	42	-1.0	-37.36	323.22	5.46	-31.90
CN(C(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NN=N[N-]1	REAL250004575389	0	26	-1.0	-47.40	250.23	5.77	-41.63
CN(C(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=N[N-]N=N1	REAL250004575389	1	26	-1.0	-47.30	250.38	5.77	-41.53
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004575390	0	26	-1.0	-47.62	238.24	1.63	-45.99
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004575390	1	26	-1.0	-47.70	238.10	1.66	-46.04
CC1=NC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575391	0	24	-1.0	-43.13	232.75	4.54	-38.59
CC1=NC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575391	1	24	-1.0	-43.16	232.62	4.56	-38.60
CN(C(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004575392	0	32	-1.0	-63.64	278.15	3.69	-59.95
CN(C(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004575392	1	32	-1.0	-63.72	278.01	3.71	-60.01
CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL250004575393	0	32	-1.0	-38.88	262.48	2.17	-36.71
CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL250004575393	1	32	-1.0	-38.95	262.35	2.19	-36.76
CN(C(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004575394	0	29	-1.0	-54.47	268.14	2.46	-52.01
CN(C(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004575394	1	29	-1.0	-54.60	268.01	2.46	-52.14
CN(C(=O)CC1(C)CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004575395	0	26	-1.0	-48.98	251.16	5.99	-42.99
CN(C(=O)CC1(C)CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004575395	1	26	-1.0	-49.07	251.02	6.01	-43.06
CN(C(=O)C1=CC2=CC=NC=C2S1)C1=NN=N[N-]1	REAL250004575396	0	25	-1.0	-44.39	233.83	4.46	-39.93
CN(C(=O)C1=CC2=CC=NC=C2S1)C1=N[N-]N=N1	REAL250004575396	1	25	-1.0	-44.30	233.97	4.45	-39.85
CN(C(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL250004575397	0	32	-1.0	-52.21	276.16	4.80	-47.41
CN(C(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL250004575397	1	32	-1.0	-52.17	276.31	4.80	-47.37
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC=C1C(N)=O	REAL250004575398	0	29	-1.0	-48.81	250.47	1.64	-47.17
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC=C1C(N)=O	REAL250004575398	1	29	-1.0	-48.78	250.61	1.64	-47.14
CN(C(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL250004575399	0	33	-1.0	-49.22	295.92	8.27	-40.95
CN(C(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL250004575399	1	33	-1.0	-49.33	295.79	8.28	-41.05
CC1CC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2O1	REAL250004575400	0	31	-1.0	-56.35	257.38	6.14	-50.21
CC1CC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2O1	REAL250004575400	1	31	-1.0	-56.35	257.52	6.14	-50.21
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(C)C)=N1	REAL250004575401	0	34	-1.0	-47.30	280.76	5.79	-41.51
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(C)C)=N1	REAL250004575401	1	34	-1.0	-47.23	280.90	5.78	-41.45
CN(C(=O)C1=CC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004575402	0	25	-1.0	-46.98	233.95	4.35	-42.63
CN(C(=O)C1=CC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004575402	1	25	-1.0	-46.93	234.10	4.34	-42.59
CN(C(=O)C1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004575403	0	28	-1.0	-47.37	244.14	5.42	-41.95
CN(C(=O)C1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004575403	1	28	-1.0	-47.29	244.28	5.42	-41.87
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=C1CCC2	REAL250004575404	0	33	-1.0	-49.48	268.97	7.44	-42.04
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=C1CCC2	REAL250004575404	1	33	-1.0	-49.46	269.10	7.44	-42.02
CCC(CC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004575405	0	28	-1.0	-43.25	243.01	5.12	-38.13
CCC(CC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004575405	1	28	-1.0	-43.30	242.87	5.15	-38.15
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004575406	0	32	-1.0	-47.18	279.26	3.57	-43.61
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004575406	1	32	-1.0	-47.14	279.42	3.54	-43.60
CN(C(=O)C1=CC=C(S(=O)(=O)F)C=C1)C1=N[N-]N=N1	REAL250004575407	0	26	-1.0	-48.84	247.08	2.13	-46.71
CN(C(=O)C1=CC=C(S(=O)(=O)F)C=C1)C1=NN=N[N-]1	REAL250004575407	1	26	-1.0	-48.90	246.94	2.12	-46.78
CN(C(=O)C1=CC=C(C2OCCO2)C=C1)C1=N[N-]N=N1	REAL250004575408	0	32	-1.0	-48.51	270.53	4.56	-43.95
CN(C(=O)C1=CC=C(C2OCCO2)C=C1)C1=NN=N[N-]1	REAL250004575408	1	32	-1.0	-48.60	270.39	4.55	-44.05
CN(C(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004575409	0	30	-1.0	-64.48	269.93	6.53	-57.95
CN(C(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004575409	1	30	-1.0	-64.39	270.06	6.53	-57.86
CN(C(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=NN=N[N-]1	REAL250004575410	0	34	-1.0	-49.04	296.55	5.69	-43.35
CN(C(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=N[N-]N=N1	REAL250004575410	1	34	-1.0	-49.05	296.69	5.67	-43.38
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004575411	0	30	-1.0	-51.22	271.96	7.69	-43.53
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004575411	1	30	-1.0	-51.34	271.83	7.73	-43.61
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004575412	0	31	-1.0	-43.04	263.59	2.82	-40.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004575412	1	31	-1.0	-43.14	263.45	2.85	-40.29
CN(C(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NN=N[N-]1	REAL250004575413	0	29	-1.0	-46.52	254.80	6.43	-40.09
CN(C(=O)C1=CC=C(C(C)(F)F)C=C1)C1=N[N-]N=N1	REAL250004575413	1	29	-1.0	-46.45	254.94	6.43	-40.02
CC(C)CC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575414	0	40	-1.0	-32.27	290.92	7.08	-25.19
CC(C)CC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575414	1	40	-1.0	-32.31	290.78	7.10	-25.21
CN(C(=O)CC1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004575415	0	32	-1.0	-55.30	273.07	5.87	-49.43
CN(C(=O)CC1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004575415	1	32	-1.0	-55.43	272.93	5.89	-49.54
CN(C(=O)C1=CC=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004575416	0	26	-1.0	-48.40	241.10	2.36	-46.04
CN(C(=O)C1=CC=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004575416	1	26	-1.0	-48.34	241.24	2.35	-45.99
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004575417	0	29	-1.0	-51.19	267.26	5.85	-45.34
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004575417	1	29	-1.0	-51.13	267.40	5.86	-45.27
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004575418	0	28	-1.0	-45.94	256.24	4.25	-41.69
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004575418	1	28	-1.0	-45.61	245.74	3.95	-41.66
COCC1=NN(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575419	0	30	-1.0	-52.38	259.34	2.35	-50.03
COCC1=NN(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575419	1	30	-1.0	-52.30	259.48	2.32	-49.98
CN(C(=O)C1CC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004575420	0	30	-1.0	-45.64	263.25	7.64	-38.00
CN(C(=O)C1CC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004575420	1	30	-1.0	-45.72	263.11	7.65	-38.07
CC(=O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004575421	0	27	-1.0	-56.15	249.87	2.46	-53.69
CC(=O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004575421	1	27	-1.0	-56.18	249.74	2.48	-53.70
CN(C(=O)C1=C(Br)SC=C1)C1=N[N-]N=N1	REAL250004575422	0	20	-1.0	-47.70	213.05	4.59	-43.11
CN(C(=O)C1=C(Br)SC=C1)C1=NN=N[N-]1	REAL250004575422	1	20	-1.0	-47.78	212.92	4.62	-43.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004575423	0	29	-1.0	-43.83	262.03	4.69	-39.14
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004575423	1	29	-1.0	-43.91	261.89	4.72	-39.19
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004575424	0	30	-1.0	-48.75	275.40	5.81	-42.94
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004575424	1	30	-1.0	-48.83	275.27	5.85	-42.98
CN(C(=O)C1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL250004575425	0	26	-1.0	-40.32	241.72	3.73	-36.59
CN(C(=O)C1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL250004575425	1	26	-1.0	-40.25	241.87	3.72	-36.53
CC1=CC(F)=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004575426	0	29	-1.0	-48.32	262.00	6.72	-41.60
CC1=CC(F)=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004575426	1	29	-1.0	-48.39	261.86	6.75	-41.64
COC1COCCC1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575427	0	34	-1.0	-46.46	272.40	2.92	-43.54
COC1COCCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575427	1	34	-1.0	-46.56	272.26	2.95	-43.61
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004575428	0	26	-1.0	-49.03	248.17	6.44	-42.59
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004575428	1	26	-1.0	-49.10	248.03	6.44	-42.66
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004575429	0	32	-1.0	-46.13	272.62	7.27	-38.86
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004575429	1	32	-1.0	-46.07	272.77	7.26	-38.81
CC(OCCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575430	0	36	-1.0	-49.89	302.57	7.65	-42.24
CC(OCCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575430	1	36	-1.0	-49.95	302.43	7.67	-42.28
C=CCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575431	0	34	-1.0	-49.21	294.12	6.78	-42.43
C=CCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575431	1	34	-1.0	-49.27	293.98	6.81	-42.46
CN(C(=O)C1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004575432	0	33	-1.0	-49.23	263.38	7.42	-41.81
CN(C(=O)C1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004575432	1	33	-1.0	-49.17	263.51	7.41	-41.76
COC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575433	0	33	-1.0	-33.51	265.08	6.40	-27.11
COC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575433	1	33	-1.0	-33.53	264.91	6.43	-27.10
CN(C(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL250004575434	0	26	-1.0	-42.11	242.72	4.03	-38.08
CN(C(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL250004575434	1	26	-1.0	-42.18	242.58	4.02	-38.16
CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004575435	0	37	-1.0	-51.49	306.01	5.86	-45.63
CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004575435	1	37	-1.0	-51.40	306.15	5.85	-45.55
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575436	0	33	-1.0	-47.35	283.97	5.45	-41.90
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575436	1	33	-1.0	-47.29	284.11	5.45	-41.84
CC(=O)NC[C@H](CC(=O)N(C)C1=N[N-]N=N1)CC(C)C	REAL250004575437	0	41	-1.0	-49.70	318.26	5.60	-44.10
CC(=O)NC[C@H](CC(=O)N(C)C1=NN=N[N-]1)CC(C)C	REAL250004575437	1	41	-1.0	-49.83	318.12	5.62	-44.21
CCOCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575438	0	32	-1.0	-44.96	281.88	3.35	-41.61
CCOCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575438	1	32	-1.0	-45.04	281.73	3.35	-41.69
CN(C(=O)C1=COC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL250004575439	0	29	-1.0	-64.22	249.72	5.55	-58.67
CN(C(=O)C1=COC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL250004575439	1	29	-1.0	-64.20	249.86	5.53	-58.67
CC=CCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575440	0	37	-1.0	-50.31	315.83	7.65	-42.66
CC=CCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575440	1	37	-1.0	-50.42	315.70	7.68	-42.74
CN(C)C1=NC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575441	0	27	-1.0	-49.71	257.55	4.16	-45.55
CN(C)C1=NC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575441	1	27	-1.0	-49.66	257.70	4.15	-45.51
CN(C(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004575442	0	36	-1.0	-50.92	310.56	8.04	-42.88
CN(C(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004575442	1	36	-1.0	-50.84	310.70	8.03	-42.81
CN(C(=O)C1CCN(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004575443	0	35	-1.0	-48.07	281.80	5.55	-42.52
CN(C(=O)C1CCN(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004575443	1	35	-1.0	-48.17	281.67	5.57	-42.60
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575444	0	44	-1.0	-43.07	334.51	5.66	-37.41
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575444	1	44	-1.0	-43.08	334.38	5.68	-37.40
CC(C)CN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=N1	REAL250004575445	0	35	-1.0	-51.48	294.57	5.91	-45.57
CC(C)CN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=N1	REAL250004575445	1	35	-1.0	-51.60	294.42	5.93	-45.67
CN(C(=O)C1=CC=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL250004575446	0	26	-1.0	-45.90	237.77	3.91	-41.99
CN(C(=O)C1=CC=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL250004575446	1	26	-1.0	-45.83	237.91	3.88	-41.95
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575447	0	32	-1.0	-50.52	284.67	6.64	-43.88
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575447	1	32	-1.0	-50.58	284.53	6.66	-43.92
CC(OCC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575448	0	33	-1.0	-51.61	284.84	6.85	-44.76
CC(OCC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575448	1	33	-1.0	-51.69	284.70	6.88	-44.81
CN(C(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004575449	0	33	-1.0	-52.64	291.54	5.25	-47.39
CN(C(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004575449	1	33	-1.0	-52.57	291.68	5.24	-47.33
CN(C(=O)C1CCCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575450	0	36	-1.0	-48.96	280.34	7.95	-41.01
CN(C(=O)C1CCCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575450	1	36	-1.0	-49.04	280.21	7.97	-41.07
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)C1=N[N-]N=N1	REAL250004575451	0	36	-1.0	-43.77	282.20	3.06	-40.71
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)C1=NN=N[N-]1	REAL250004575451	1	36	-1.0	-43.90	282.06	3.07	-40.83
CN(C(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575452	0	39	-1.0	-49.25	292.55	8.52	-40.73
CN(C(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575452	1	39	-1.0	-49.39	292.42	8.54	-40.85
CC(=O)N[C@H](C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004575453	0	35	-1.0	-43.43	269.20	3.50	-39.93
CC(=O)N[C@H](C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004575453	1	35	-1.0	-43.51	269.07	3.52	-39.99
CCN1N=C(C)C(CC(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004575454	0	35	-1.0	-52.05	292.54	5.57	-46.48
CCN1N=C(C)C(CC(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004575454	1	35	-1.0	-52.11	292.41	5.61	-46.50
CN(C(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL250004575455	0	28	-1.0	-50.34	250.45	5.41	-44.93
CN(C(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL250004575455	1	28	-1.0	-50.25	250.59	5.40	-44.85
CC1=NN(C(C)C)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575456	0	38	-1.0	-52.28	313.37	6.28	-46.00
CC1=NN(C(C)C)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575456	1	38	-1.0	-52.36	313.23	6.31	-46.05
CC1=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004575457	0	30	-1.0	-47.29	265.61	7.16	-40.13
CC1=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004575457	1	30	-1.0	-47.36	265.47	7.17	-40.19
CN(C(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004575458	0	35	-1.0	-46.31	306.17	6.58	-39.73
CN(C(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004575458	1	35	-1.0	-46.22	306.31	6.55	-39.67
CN(C(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575459	0	38	-1.0	-52.03	289.54	8.30	-43.73
CN(C(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575459	1	38	-1.0	-51.93	289.68	8.28	-43.65
CN(C)C1=CC(C#N)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575460	0	32	-1.0	-46.50	276.32	5.71	-40.79
CN(C)C1=CC(C#N)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575460	1	32	-1.0	-46.43	276.46	5.72	-40.71
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004575461	0	32	-1.0	-48.91	280.44	4.75	-44.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004575461	1	32	-1.0	-48.82	280.58	4.73	-44.09
CN(C(=O)C1=NN(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004575462	0	31	-1.0	-53.35	262.50	6.15	-47.20
CN(C(=O)C1=NN(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004575462	1	31	-1.0	-53.28	262.64	6.14	-47.14
CN(C(=O)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004575463	0	26	-1.0	-50.43	235.39	3.49	-46.94
CN(C(=O)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004575463	1	26	-1.0	-50.35	235.53	3.48	-46.87
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004575464	0	25	-1.0	-39.47	245.55	3.77	-35.70
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004575464	1	25	-1.0	-39.55	245.41	3.80	-35.75
CN(C(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NN=N[N-]1	REAL250004575465	0	30	-1.0	-52.73	274.30	6.41	-46.32
CN(C(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=N[N-]N=N1	REAL250004575465	1	30	-1.0	-52.67	274.44	6.38	-46.29
CN(C(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NN=N[N-]1	REAL250004575466	0	26	-1.0	-40.73	255.35	4.42	-36.31
CN(C(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=N[N-]N=N1	REAL250004575466	1	26	-1.0	-40.64	255.49	4.41	-36.23
CC(C)C(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004575467	0	35	-1.0	-49.95	294.65	4.97	-44.98
CC(C)C(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004575467	1	35	-1.0	-49.91	294.79	4.97	-44.94
CN(C(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004575468	0	27	-1.0	-46.99	248.54	4.59	-42.40
CN(C(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004575468	1	27	-1.0	-47.07	248.40	4.59	-42.48
CC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575469	0	34	-1.0	-45.76	277.52	5.64	-40.12
CC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575469	1	34	-1.0	-45.73	277.67	5.63	-40.10
CCC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575470	0	37	-1.0	-45.94	299.00	6.38	-39.56
CCC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575470	1	37	-1.0	-45.91	299.16	6.36	-39.55
CN(C(=O)C1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL250004575471	0	23	-1.0	-50.80	227.08	4.03	-46.77
CN(C(=O)C1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL250004575471	1	23	-1.0	-50.72	227.22	4.02	-46.70
CN(C(=O)CCN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004575472	0	29	-1.0	-55.27	259.49	4.93	-50.34
CN(C(=O)CCN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004575472	1	29	-1.0	-55.30	259.35	4.97	-50.33
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004575473	0	32	-1.0	-33.76	266.24	5.21	-28.55
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004575473	1	32	-1.0	-33.85	266.09	5.23	-28.62
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004575474	0	28	-1.0	-44.63	258.56	6.59	-38.04
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004575474	1	28	-1.0	-44.52	258.70	6.59	-37.93
CN(C(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NN=N[N-]1	REAL250004575475	0	34	-1.0	-47.30	286.29	4.41	-42.89
CN(C(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=N[N-]N=N1	REAL250004575475	1	34	-1.0	-47.19	286.42	4.42	-42.77
CN(C(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NN=N[N-]1	REAL250004575476	0	29	-1.0	-47.94	256.03	3.67	-44.27
CN(C(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=N[N-]N=N1	REAL250004575476	1	29	-1.0	-47.83	256.16	3.64	-44.19
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004575477	0	31	-1.0	-45.44	276.08	5.80	-39.64
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004575477	1	31	-1.0	-45.34	276.22	5.79	-39.55
C#CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575478	0	32	-1.0	-47.98	280.17	6.47	-41.51
C#CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575478	1	32	-1.0	-47.92	280.32	6.46	-41.46
CC(C(=O)N(C)C1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004575479	0	34	-1.0	-34.58	282.48	7.10	-27.48
CC(C(=O)N(C)C1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004575479	1	34	-1.0	-34.68	282.36	7.14	-27.54
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004575480	0	29	-1.0	-52.04	251.39	6.24	-45.80
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004575480	1	29	-1.0	-51.98	251.54	6.24	-45.74
CN(C(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004575481	0	23	-1.0	-41.92	236.87	5.97	-35.95
CN(C(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004575481	1	23	-1.0	-41.95	236.73	5.97	-35.98
CN(C(=O)COC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004575482	0	27	-1.0	-47.97	261.36	6.42	-41.55
CN(C(=O)COC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004575482	1	27	-1.0	-48.05	261.23	6.44	-41.61
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004575483	0	25	-1.0	-55.39	237.25	4.56	-50.83
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004575483	1	25	-1.0	-55.48	237.11	4.59	-50.89
CN(C(=O)CC1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004575484	0	32	-1.0	-55.67	268.51	2.27	-53.40
CN(C(=O)CC1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004575484	1	32	-1.0	-55.79	268.38	2.29	-53.50
CN(C(=O)C1=NC2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL250004575485	0	28	-1.0	-46.64	260.10	6.78	-39.86
CN(C(=O)C1=NC2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL250004575485	1	28	-1.0	-46.59	260.23	6.76	-39.83
COC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575486	0	34	-1.0	-46.99	289.22	4.89	-42.10
COC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575486	1	34	-1.0	-47.10	289.09	4.93	-42.17
CN(C(=O)CCC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004575487	0	33	-1.0	-51.78	285.80	3.57	-48.21
CN(C(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004575487	1	33	-1.0	-51.85	285.67	3.59	-48.26
CN(C(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004575488	0	34	-1.0	-64.44	266.91	7.36	-57.08
CN(C(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004575488	1	34	-1.0	-64.50	266.78	7.37	-57.13
CN(C(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL250004575489	0	28	-1.0	-46.56	255.25	5.31	-41.25
CN(C(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL250004575489	1	28	-1.0	-46.46	255.41	5.32	-41.14
CN(C(=O)CC1=CNC2=CN=CC=C12)C1=NN=N[N-]1	REAL250004575490	0	29	-1.0	-52.91	256.36	4.30	-48.61
CN(C(=O)CC1=CNC2=CN=CC=C12)C1=N[N-]N=N1	REAL250004575490	1	29	-1.0	-52.83	256.50	4.26	-48.57
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004575491	0	30	-1.0	-46.46	274.45	7.23	-39.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004575491	1	30	-1.0	-46.36	274.59	7.23	-39.13
COCCOCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575492	0	37	-1.0	-50.56	312.31	4.86	-45.70
COCCOCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575492	1	37	-1.0	-50.64	312.16	4.86	-45.78
CN(C(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NN=N[N-]1	REAL250004575493	0	32	-1.0	-47.62	267.01	6.50	-41.12
CN(C(=O)C1=CC=C2C(=O)CCCC2=C1)C1=N[N-]N=N1	REAL250004575493	1	32	-1.0	-47.56	267.14	6.51	-41.05
CN(C(=O)C1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004575494	0	23	-1.0	-45.91	220.60	5.46	-40.45
CN(C(=O)C1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004575494	1	23	-1.0	-45.80	220.74	5.47	-40.33
CN(C(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL250004575495	0	29	-1.0	-47.33	255.66	4.33	-43.00
CN(C(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL250004575495	1	29	-1.0	-47.41	255.51	4.36	-43.05
CN(C(=O)C1=NOC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004575496	0	29	-1.0	-51.32	265.41	4.69	-46.63
CN(C(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004575496	1	29	-1.0	-51.37	265.27	4.72	-46.65
CC1=CC=C2SN=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575497	0	28	-1.0	-48.28	254.17	6.33	-41.95
CC1=CC=C2SN=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575497	1	28	-1.0	-48.22	254.32	6.31	-41.91
COC1=CC(Cl)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575498	0	27	-1.0	-45.65	249.21	4.73	-40.92
COC1=CC(Cl)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575498	1	27	-1.0	-45.63	249.35	4.75	-40.88
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575499	0	36	-1.0	-48.17	295.87	5.97	-42.20
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575499	1	36	-1.0	-48.24	295.73	6.01	-42.23
COC(=O)C12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)CC2	REAL250004575500	0	39	-1.0	-30.30	292.10	6.13	-24.17
COC(=O)C12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)CC2	REAL250004575500	1	39	-1.0	-30.38	291.97	6.16	-24.22
CC1=CC=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575501	0	26	-1.0	-49.82	244.32	6.09	-43.73
CC1=CC=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575501	1	26	-1.0	-49.70	244.46	6.08	-43.62
CC1=NC(C2CC2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575502	0	32	-1.0	-45.87	266.73	5.84	-40.03
CC1=NC(C2CC2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575502	1	32	-1.0	-45.73	266.87	5.83	-39.90
CN(C)C1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)C=C1	REAL250004575503	0	38	-1.0	-50.55	305.42	7.25	-43.30
CN(C)C1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)C=C1	REAL250004575503	1	38	-1.0	-50.64	305.28	7.28	-43.36
CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=N[N-]N=N1	REAL250004575504	0	34	-1.0	-54.94	286.40	5.16	-49.78
CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NN=N[N-]1	REAL250004575504	1	34	-1.0	-55.02	286.26	5.19	-49.83
CN(C(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004575505	0	35	-1.0	-46.82	280.01	5.21	-41.61
CN(C(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004575505	1	35	-1.0	-46.78	280.16	5.19	-41.59
CC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004575506	0	31	-1.0	-48.60	266.89	7.00	-41.60
CC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004575506	1	31	-1.0	-48.56	267.03	6.98	-41.58
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N1C	REAL250004575507	0	30	-1.0	-45.09	257.27	4.96	-40.13
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N1C	REAL250004575507	1	30	-1.0	-45.06	257.41	4.95	-40.11
CC1=CC(=O)NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C12	REAL250004575508	0	32	-1.0	-52.54	272.45	4.56	-47.98
CC1=CC(=O)NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C12	REAL250004575508	1	32	-1.0	-52.46	272.60	4.56	-47.90
CN(C(=O)C1(S(C)(=O)=O)CCOCC1)C1=N[N-]N=N1	REAL250004575509	0	33	-1.0	-48.33	260.29	0.11	-48.22
CN(C(=O)C1(S(C)(=O)=O)CCOCC1)C1=NN=N[N-]1	REAL250004575509	1	33	-1.0	-48.38	260.16	0.11	-48.27
CN(C(=O)CC1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004575510	0	26	-1.0	-50.64	251.48	6.50	-44.14
CN(C(=O)CC1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004575510	1	26	-1.0	-50.70	251.34	6.54	-44.16
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004575511	0	31	-1.0	-52.09	274.08	7.16	-44.93
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004575511	1	31	-1.0	-52.17	273.94	7.19	-44.98
CC(C)OC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004575512	0	36	-1.0	-50.86	295.76	7.29	-43.57
CC(C)OC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004575512	1	36	-1.0	-50.96	295.63	7.32	-43.64
CN(C(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004575513	0	35	-1.0	-47.83	278.76	5.29	-42.54
CN(C(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004575513	1	35	-1.0	-47.94	278.63	5.31	-42.63
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575514	0	29	-1.0	-46.01	263.37	6.66	-39.35
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575514	1	29	-1.0	-46.07	263.24	6.70	-39.37
CN(C(=O)C1=CC=C(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004575515	0	36	-1.0	-47.17	285.58	8.07	-39.10
CN(C(=O)C1=CC=C(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004575515	1	36	-1.0	-47.12	285.71	8.08	-39.04
CC1=CC=C2SC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004575516	0	29	-1.0	-46.31	260.41	6.91	-39.40
CC1=CC=C2SC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004575516	1	29	-1.0	-46.23	260.55	6.88	-39.35
CN(C(=O)CCCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004575517	0	32	-1.0	-49.75	285.42	7.93	-41.82
CN(C(=O)CCCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004575517	1	32	-1.0	-49.81	285.29	7.96	-41.85
CC1=CC(=O)C=C(C)N1CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004575518	0	38	-1.0	-63.95	309.45	6.96	-56.99
CC1=CC(=O)C=C(C)N1CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004575518	1	38	-1.0	-64.04	309.32	7.00	-57.04
CN(C(=O)COC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004575519	0	27	-1.0	-48.41	251.61	5.99	-42.42
CN(C(=O)COC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004575519	1	27	-1.0	-48.46	251.47	6.01	-42.45
CN(C(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NN=N[N-]1	REAL250004575520	0	34	-1.0	-46.63	283.66	8.26	-38.37
CN(C(=O)C1=CC=C(C2=CCCC2)C=C1)C1=N[N-]N=N1	REAL250004575520	1	34	-1.0	-46.51	283.88	8.27	-38.24
CN(C(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004575521	0	35	-1.0	-44.24	285.69	7.43	-36.81
CN(C(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004575521	1	35	-1.0	-44.33	285.55	7.43	-36.90
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004575522	0	34	-1.0	-51.05	258.41	2.18	-48.87
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004575522	1	34	-1.0	-51.12	258.28	2.19	-48.93
CSCC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575523	0	29	-1.0	-50.71	268.16	5.04	-45.67
CSCC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575523	1	29	-1.0	-50.66	268.30	5.03	-45.63
CN(C(=O)C1=CC=CC=C1OC1CC1)C1=NN=N[N-]1	REAL250004575524	0	31	-1.0	-56.01	260.49	6.97	-49.04
CN(C(=O)C1=CC=CC=C1OC1CC1)C1=N[N-]N=N1	REAL250004575524	1	31	-1.0	-55.92	260.63	6.95	-48.97
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004575525	0	25	-1.0	-45.66	238.30	4.28	-41.38
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004575525	1	25	-1.0	-45.62	238.44	4.27	-41.35
CN(C(=O)C1=CN=C(OCC(F)F)C=N1)C1=NN=N[N-]1	REAL250004575526	0	28	-1.0	-46.34	261.12	2.09	-44.25
CN(C(=O)C1=CN=C(OCC(F)F)C=N1)C1=N[N-]N=N1	REAL250004575526	1	28	-1.0	-46.29	261.26	2.08	-44.21
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=CS1	REAL250004575527	0	28	-1.0	-50.56	256.00	4.13	-46.43
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=CS1	REAL250004575527	1	28	-1.0	-50.47	256.14	4.11	-46.36
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004575528	0	39	-1.0	-48.07	286.54	7.89	-40.18
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004575528	1	39	-1.0	-48.04	286.67	7.87	-40.17
CN(C(=O)C1=CN(C2CCOCC2)N=N1)C1=NN=N[N-]1	REAL250004575529	0	33	-1.0	-45.59	275.94	2.77	-42.82
CN(C(=O)C1=CN(C2CCOCC2)N=N1)C1=N[N-]N=N1	REAL250004575529	1	33	-1.0	-45.56	276.09	2.75	-42.81
CC1=CC=CC(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575530	0	26	-1.0	-49.30	248.73	6.17	-43.13
CC1=CC=CC(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575530	1	26	-1.0	-49.36	248.60	6.18	-43.18
CN(C(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=NN=N[N-]1	REAL250004575531	0	28	-1.0	-49.66	257.94	6.87	-42.79
CN(C(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=N[N-]N=N1	REAL250004575531	1	28	-1.0	-49.57	258.08	6.86	-42.71
CC1=C2SC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004575532	0	29	-1.0	-46.62	259.35	6.87	-39.75
CC1=C2SC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004575532	1	29	-1.0	-46.56	259.49	6.84	-39.72
CN(C(=O)C1=C(Br)N=NN1C)C1=NN=N[N-]1	REAL250004575533	0	22	-1.0	-40.04	227.52	1.98	-38.06
CN(C(=O)C1=C(Br)N=NN1C)C1=N[N-]N=N1	REAL250004575533	1	22	-1.0	-40.02	227.66	1.98	-38.04
CN(C(=O)C1=C2N=CN(C)C2=NC=C1)C1=NN=N[N-]1	REAL250004575534	0	28	-1.0	-58.14	248.55	5.48	-52.66
CN(C(=O)C1=C2N=CN(C)C2=NC=C1)C1=N[N-]N=N1	REAL250004575534	1	28	-1.0	-58.05	248.68	5.48	-52.57
CN(C(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NN=N[N-]1	REAL250004575535	0	29	-1.0	-60.06	252.47	4.24	-55.82
CN(C(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=N[N-]N=N1	REAL250004575535	1	29	-1.0	-59.98	252.61	4.23	-55.75
CN(C(=O)C1=C(C2CC2)N=NS1)C1=N[N-]N=N1	REAL250004575536	0	25	-1.0	-41.13	232.04	3.64	-37.49
CN(C(=O)C1=C(C2CC2)N=NS1)C1=NN=N[N-]1	REAL250004575536	1	25	-1.0	-41.17	231.90	3.67	-37.50
CCCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575537	0	31	-1.0	-42.90	264.55	3.00	-39.90
CCCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575537	1	31	-1.0	-43.01	264.41	3.03	-39.98
CN(C(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NN=N[N-]1	REAL250004575538	0	34	-1.0	-46.60	279.74	5.90	-40.70
CN(C(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=N[N-]N=N1	REAL250004575538	1	34	-1.0	-46.47	279.89	5.89	-40.58
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=N1	REAL250004575539	0	28	-1.0	-51.35	260.41	5.14	-46.21
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=N1	REAL250004575539	1	28	-1.0	-51.41	260.27	5.17	-46.24
CN(C(=O)C12CCC(F)(CC1)CC2)C1=N[N-]N=N1	REAL250004575540	0	33	-1.0	-29.10	244.39	5.67	-23.43
CN(C(=O)C12CCC(F)(CC1)CC2)C1=NN=N[N-]1	REAL250004575540	1	33	-1.0	-29.14	244.27	5.69	-23.45
CN(C(=O)C1CCC2=C(C1)N(C)N=N2)C1=N[N-]N=N1	REAL250004575541	0	32	-1.0	-35.33	259.52	3.90	-31.43
CN(C(=O)C1CCC2=C(C1)N(C)N=N2)C1=NN=N[N-]1	REAL250004575541	1	32	-1.0	-35.35	259.28	3.91	-31.44
CN(C(=O)C1CCN(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL250004575542	0	35	-1.0	-47.65	288.03	5.68	-41.97
CN(C(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL250004575542	1	35	-1.0	-47.72	287.89	5.70	-42.02
CC1=NC(Cl)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575543	0	25	-1.0	-39.66	249.51	4.62	-35.04
CC1=NC(Cl)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575543	1	25	-1.0	-39.72	249.11	4.62	-35.10
CN(C(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004575544	0	33	-1.0	-42.86	274.48	4.84	-38.02
CN(C(=O)C1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004575544	1	33	-1.0	-42.76	274.62	4.83	-37.93
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575545	0	32	-1.0	-46.89	278.26	6.49	-40.40
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575545	1	32	-1.0	-46.83	278.40	6.49	-40.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL250004575546	0	29	-1.0	-44.40	261.22	6.91	-37.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL250004575546	1	29	-1.0	-44.29	261.36	6.90	-37.39
CN(C(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004575547	0	31	-1.0	-44.01	269.79	5.69	-38.32
CN(C(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004575547	1	31	-1.0	-43.96	269.93	5.67	-38.29
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL250004575548	0	37	-1.0	-36.27	301.00	7.65	-28.62
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL250004575548	1	37	-1.0	-36.23	301.13	7.63	-28.60
CN(C(=O)CCSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004575549	0	30	-1.0	-44.85	286.79	7.74	-37.11
CN(C(=O)CCSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004575549	1	30	-1.0	-44.89	286.65	7.78	-37.11
CN(C(=O)C1=NC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL250004575550	0	26	-1.0	-52.99	236.28	3.89	-49.10
CN(C(=O)C1=NC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL250004575550	1	26	-1.0	-52.94	236.42	3.87	-49.07
CN(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004575551	0	36	-1.0	-48.19	299.63	6.19	-42.00
CN(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004575551	1	36	-1.0	-48.12	299.77	6.19	-41.93
CN(C(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL250004575552	0	29	-1.0	-49.39	262.98	3.95	-45.44
CN(C(=O)C1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL250004575552	1	29	-1.0	-49.32	263.13	3.95	-45.37
CN(C(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004575553	0	25	-1.0	-43.17	236.92	4.07	-39.10
CN(C(=O)C1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004575553	1	25	-1.0	-43.08	237.06	4.06	-39.02
COC(C)(C)C1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575554	0	35	-1.0	-44.06	293.08	3.51	-40.55
COC(C)(C)C1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575554	1	35	-1.0	-44.16	292.94	3.54	-40.62
CC1=CC(C(F)(F)F)=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575555	0	29	-1.0	-51.75	273.21	4.80	-46.95
CC1=CC(C(F)(F)F)=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575555	1	29	-1.0	-51.85	273.07	4.83	-47.02
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004575556	0	30	-1.0	-53.25	263.23	7.31	-45.94
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004575556	1	30	-1.0	-53.34	263.10	7.34	-46.00
CN(C(=O)C1CN(C(=O)C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004575557	0	40	-1.0	-50.01	319.91	6.00	-44.01
CN(C(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004575557	1	40	-1.0	-50.12	319.77	6.02	-44.10
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575558	0	34	-1.0	-51.27	286.47	6.58	-44.69
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575558	1	34	-1.0	-51.30	286.34	6.61	-44.69
CC(C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004575559	0	32	-1.0	-47.31	276.73	7.08	-40.23
CC(C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004575559	1	32	-1.0	-47.38	276.58	7.07	-40.31
CC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575560	0	31	-1.0	-46.41	263.77	5.98	-40.43
CC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575560	1	31	-1.0	-46.33	263.91	5.98	-40.35
CN(C(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004575561	0	36	-1.0	-33.23	288.59	7.14	-26.09
CN(C(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004575561	1	36	-1.0	-33.31	288.42	7.15	-26.16
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004575562	0	32	-1.0	-47.94	270.06	6.07	-41.87
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004575562	1	32	-1.0	-47.88	270.19	6.07	-41.81
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004575563	0	28	-1.0	-54.47	264.39	7.54	-46.93
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004575563	1	28	-1.0	-54.37	264.53	7.54	-46.83
CN(C(=O)COCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004575564	0	30	-1.0	-51.85	281.07	6.85	-45.00
CN(C(=O)COCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004575564	1	30	-1.0	-51.89	280.94	6.88	-45.01
CN(C(=O)C1=CC(Br)=CO1)C1=N[N-]N=N1	REAL250004575565	0	20	-1.0	-44.04	208.32	4.03	-40.01
CN(C(=O)C1=CC(Br)=CO1)C1=NN=N[N-]1	REAL250004575565	1	20	-1.0	-44.14	208.17	4.05	-40.09
C[C@H]1CC[C@@](C)(C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004575566	0	38	-1.0	-50.58	261.04	6.36	-44.22
C[C@H]1CC[C@@](C)(C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004575566	1	38	-1.0	-50.67	260.91	6.37	-44.30
CN(C(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004575567	0	35	-1.0	-31.53	284.51	7.27	-24.26
CN(C(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004575567	1	35	-1.0	-31.55	284.34	7.27	-24.28
CN(C(=O)C1=C(N2C=CN=N2)C=CS1)C1=NN=N[N-]1	REAL250004575568	0	26	-1.0	-64.21	251.27	4.16	-60.05
CN(C(=O)C1=C(N2C=CN=N2)C=CS1)C1=N[N-]N=N1	REAL250004575568	1	26	-1.0	-64.14	251.42	4.17	-59.97
CN(C(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004575569	0	27	-1.0	-53.25	240.45	5.41	-47.84
CN(C(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004575569	1	27	-1.0	-53.18	240.59	5.40	-47.78
CN(C(=O)C1=CN=C(Br)S1)C1=NN=N[N-]1	REAL250004575570	0	19	-1.0	-41.59	209.14	2.61	-38.98
CN(C(=O)C1=CN=C(Br)S1)C1=N[N-]N=N1	REAL250004575570	1	19	-1.0	-41.47	209.20	2.58	-38.89
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC(C)C	REAL250004575571	0	35	-1.0	-47.08	285.46	5.57	-41.51
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC(C)C	REAL250004575571	1	35	-1.0	-47.19	285.28	5.58	-41.61
CN(C(=O)C=CC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004575572	0	34	-1.0	-47.88	288.11	8.57	-39.31
CN(C(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004575572	1	34	-1.0	-47.93	287.96	8.59	-39.34
COC(=O)C1=C(CCC(=O)N(C)C2=NN=N[N-]2)OC=N1	REAL250004575573	0	31	-1.0	-52.22	279.66	2.11	-50.11
COC(=O)C1=C(CCC(=O)N(C)C2=N[N-]N=N2)OC=N1	REAL250004575573	1	31	-1.0	-52.16	279.80	2.08	-50.08
CN(C(=O)C1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004575574	0	28	-1.0	-48.15	244.22	5.32	-42.83
CN(C(=O)C1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004575574	1	28	-1.0	-48.12	244.36	5.31	-42.81
CN(C(=O)C1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL250004575576	0	34	-1.0	-48.28	263.96	3.29	-44.99
CN(C(=O)C1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL250004575576	1	34	-1.0	-48.37	263.82	3.32	-45.05
CN(C(=O)C1=NN(C)C(Br)=C1)C1=NN=N[N-]1	REAL250004575577	0	23	-1.0	-46.23	228.70	3.80	-42.43
CN(C(=O)C1=NN(C)C(Br)=C1)C1=N[N-]N=N1	REAL250004575577	1	23	-1.0	-46.16	228.76	3.80	-42.36
COC1=CC(Cl)=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575578	0	27	-1.0	-48.89	251.85	4.75	-44.14
COC1=CC(Cl)=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575578	1	27	-1.0	-48.96	251.70	4.75	-44.21
CCSC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575579	0	29	-1.0	-52.84	255.55	6.06	-46.78
CCSC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575579	1	29	-1.0	-52.76	255.69	6.05	-46.71
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL250004575580	0	32	-1.0	-52.02	265.07	7.73	-44.29
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL250004575580	1	32	-1.0	-51.91	265.22	7.72	-44.19
CN(C(=O)C1CC1(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575581	0	30	-1.0	-52.65	261.48	7.29	-45.36
CN(C(=O)C1CC1(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575581	1	30	-1.0	-52.71	261.35	7.32	-45.39
CC1=CC=CC2=C1OC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004575582	0	31	-1.0	-51.00	262.21	6.67	-44.33
CC1=CC=CC2=C1OC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004575582	1	31	-1.0	-51.04	262.08	6.69	-44.35
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NN=N[N-]1	REAL250004575583	0	30	-1.0	-48.38	271.10	5.04	-43.34
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=N[N-]N=N1	REAL250004575583	1	30	-1.0	-48.31	271.25	5.04	-43.27
CN(C(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL250004575584	0	30	-1.0	-49.76	278.56	6.36	-43.40
CN(C(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL250004575584	1	30	-1.0	-49.81	278.43	6.40	-43.41
CN(C(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NN=N[N-]1	REAL250004575585	0	33	-1.0	-44.26	280.03	6.31	-37.95
CN(C(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=N[N-]N=N1	REAL250004575585	1	33	-1.0	-44.19	280.15	6.29	-37.90
CC(=O)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575586	0	24	-1.0	-42.56	233.27	2.62	-39.94
CC(=O)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575586	1	24	-1.0	-42.64	233.13	2.64	-40.00
CN(C(=O)C1=C(Br)C=NN1C)C1=NN=N[N-]1	REAL250004575587	0	23	-1.0	-42.28	232.54	3.46	-38.82
CN(C(=O)C1=C(Br)C=NN1C)C1=N[N-]N=N1	REAL250004575587	1	23	-1.0	-42.27	232.68	3.45	-38.82
CCCCCCOC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575588	0	38	-1.0	-49.86	305.08	6.89	-42.97
CCCCCCOC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575588	1	38	-1.0	-49.96	304.94	6.91	-43.05
CN(C(=O)CC1CSC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004575589	0	32	-1.0	-53.62	282.56	7.27	-46.35
CN(C(=O)CC1CSC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004575589	1	32	-1.0	-53.73	282.42	7.29	-46.44
CN(C(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004575590	0	27	-1.0	-47.73	240.42	4.58	-43.15
CN(C(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004575590	1	27	-1.0	-47.62	240.55	4.55	-43.07
CN(C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575591	0	33	-1.0	-46.09	268.50	7.35	-38.74
CN(C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575591	1	33	-1.0	-46.13	268.36	7.37	-38.76
CC1=C(CCC(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004575592	0	28	-1.0	-46.34	254.78	4.51	-41.83
CC1=C(CCC(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004575592	1	28	-1.0	-46.42	254.65	4.53	-41.89
CN(C(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004575593	0	36	-1.0	-50.94	305.78	9.37	-41.57
CN(C(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004575593	1	36	-1.0	-50.90	305.92	9.38	-41.52
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004575594	0	32	-1.0	-45.91	275.68	6.01	-39.90
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004575594	1	32	-1.0	-45.82	275.82	5.99	-39.83
CCOC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575595	0	39	-1.0	-46.69	313.07	7.18	-39.51
CCOC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575595	1	39	-1.0	-46.80	312.93	7.21	-39.59
CN(C(=O)C1CCC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004575596	0	31	-1.0	-51.46	256.77	6.71	-44.75
CN(C(=O)C1CCC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004575596	1	31	-1.0	-51.56	256.64	6.73	-44.83
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004575597	0	32	-1.0	-49.84	285.91	7.95	-41.89
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004575597	1	32	-1.0	-49.95	285.77	7.99	-41.96
CN(C(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575598	0	37	-1.0	-48.96	294.70	6.71	-42.25
CN(C(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575598	1	37	-1.0	-49.11	294.57	6.74	-42.37
CCCN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004575599	0	33	-1.0	-47.67	274.38	4.54	-43.13
CCCN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004575599	1	33	-1.0	-47.75	274.26	4.57	-43.18
CN(C(=O)C1=NN(C)C2=C1CCCC2)C1=NN=N[N-]1	REAL250004575600	0	33	-1.0	-52.84	267.67	5.74	-47.10
CN(C(=O)C1=NN(C)C2=C1CCCC2)C1=N[N-]N=N1	REAL250004575600	1	33	-1.0	-52.79	267.82	5.72	-47.07
CCC(CC)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575601	0	39	-1.0	-47.03	306.75	7.16	-39.87
CCC(CC)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575601	1	39	-1.0	-47.14	306.61	7.16	-39.98
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004575602	0	31	-1.0	-52.74	277.80	7.67	-45.07
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004575602	1	31	-1.0	-52.81	277.67	7.69	-45.12
CN(C(=O)C1=NC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004575603	0	28	-1.0	-57.12	255.41	2.09	-55.03
CN(C(=O)C1=NC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004575603	1	28	-1.0	-57.04	255.54	2.10	-54.94
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004575604	0	32	-1.0	-54.85	266.70	5.40	-49.45
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004575604	1	32	-1.0	-54.94	266.56	5.43	-49.51
CN(C(=O)C1=CSC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004575605	0	35	-1.0	-46.81	294.19	6.84	-39.97
CN(C(=O)C1=CSC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004575605	1	35	-1.0	-46.87	294.03	6.86	-40.01
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004575606	0	30	-1.0	-47.13	273.71	7.80	-39.33
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004575606	1	30	-1.0	-47.20	273.57	7.83	-39.37
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004575607	0	34	-1.0	-52.20	285.35	6.62	-45.58
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004575607	1	34	-1.0	-52.25	285.21	6.64	-45.61
CCC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004575608	0	35	-1.0	-46.04	293.92	6.79	-39.25
CCC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004575608	1	35	-1.0	-45.92	294.06	6.77	-39.15
CC1=CC(Cl)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575609	0	25	-1.0	-42.41	234.32	4.16	-38.25
CC1=CC(Cl)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575609	1	25	-1.0	-42.32	234.45	4.17	-38.15
CN(C(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NN=N[N-]1	REAL250004575610	0	28	-1.0	-46.16	254.88	3.50	-42.66
CN(C(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=N[N-]N=N1	REAL250004575610	1	28	-1.0	-46.08	255.02	3.49	-42.59
CN(C(=O)C1=CN(C)N=C1C1CCC1)C1=NN=N[N-]1	REAL250004575611	0	33	-1.0	-51.15	270.64	5.35	-45.80
CN(C(=O)C1=CN(C)N=C1C1CCC1)C1=N[N-]N=N1	REAL250004575611	1	33	-1.0	-51.03	270.78	5.34	-45.69
CN(C(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004575612	0	33	-1.0	-48.25	279.08	8.06	-40.19
CN(C(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004575612	1	33	-1.0	-48.36	278.94	8.10	-40.26
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004575613	0	29	-1.0	-45.55	258.44	1.85	-43.70
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004575613	1	29	-1.0	-45.48	258.58	1.82	-43.66
CN(C(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575614	0	37	-1.0	-51.02	284.20	6.10	-44.92
CN(C(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575614	1	37	-1.0	-51.08	284.07	6.10	-44.98
CN(C(=O)C1(C(F)(F)F)CCCC1)C1=N[N-]N=N1	REAL250004575615	0	29	-1.0	-44.62	234.64	5.08	-39.54
CN(C(=O)C1(C(F)(F)F)CCCC1)C1=NN=N[N-]1	REAL250004575615	1	29	-1.0	-44.68	234.51	5.09	-39.59
COC1=CC=C2ON=C(CC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575616	0	32	-1.0	-54.41	282.76	4.57	-49.84
COC1=CC=C2ON=C(CC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575616	1	32	-1.0	-54.47	282.63	4.61	-49.86
CN(C(=O)CC1=NOC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004575617	0	28	-1.0	-51.95	259.71	5.35	-46.60
CN(C(=O)CC1=NOC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004575617	1	28	-1.0	-51.99	259.57	5.38	-46.61
CC(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575618	0	34	-1.0	-33.75	270.27	6.60	-27.15
CC(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575618	1	34	-1.0	-33.82	270.13	6.61	-27.21
COC1CCCCN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004575619	0	37	-1.0	-58.57	294.18	5.04	-53.53
COC1CCCCN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004575619	1	37	-1.0	-58.62	294.04	5.06	-53.56
CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004575620	0	40	-1.0	-32.00	312.86	4.99	-27.01
CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004575620	1	40	-1.0	-32.08	312.72	5.00	-27.08
CN(C(=O)C1=CC=C(S(C)(=O)=O)S1)C1=N[N-]N=N1	REAL250004575621	0	26	-1.0	-50.55	255.06	1.43	-49.12
CN(C(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NN=N[N-]1	REAL250004575621	1	26	-1.0	-50.64	254.91	1.42	-49.22
CN(C(=O)CC1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575622	0	32	-1.0	-54.25	279.68	5.86	-48.39
CN(C(=O)CC1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575622	1	32	-1.0	-54.15	279.81	5.83	-48.32
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575623	0	31	-1.0	-45.97	266.34	6.81	-39.16
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575623	1	31	-1.0	-45.93	266.48	6.79	-39.14
CN(C(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004575624	0	34	-1.0	-47.16	275.77	6.51	-40.65
CN(C(=O)C1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004575624	1	34	-1.0	-47.13	275.91	6.49	-40.64
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004575625	0	33	-1.0	-48.30	281.41	7.08	-41.22
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004575625	1	33	-1.0	-48.25	281.55	7.07	-41.18
CC1CCC(C)(C=CC(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004575626	0	42	-1.0	-47.52	309.31	7.88	-39.64
CC1CCC(C)(C=CC(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004575626	1	42	-1.0	-47.58	309.17	7.90	-39.68
COC(=O)C1=CC=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575627	0	28	-1.0	-53.21	254.43	4.90	-48.31
COC(=O)C1=CC=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575627	1	28	-1.0	-53.15	254.57	4.88	-48.27
CN(C(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004575628	0	33	-1.0	-50.79	270.51	7.09	-43.70
CN(C(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004575628	1	33	-1.0	-50.85	270.38	7.12	-43.73
CN(C(=O)C1(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004575629	0	31	-1.0	-46.35	265.13	6.15	-40.20
CN(C(=O)C1(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004575629	1	31	-1.0	-46.40	264.99	6.15	-40.25
CC1=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=NN1C	REAL250004575630	0	26	-1.0	-51.34	242.93	4.40	-46.94
CC1=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=NN1C	REAL250004575630	1	26	-1.0	-51.44	242.78	4.41	-47.03
CCN1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004575631	0	33	-1.0	-32.35	264.18	4.36	-27.99
CCN1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004575631	1	33	-1.0	-32.41	263.89	4.43	-27.98
CN(C(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575632	0	28	-1.0	-52.26	260.60	5.95	-46.31
CN(C(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575632	1	28	-1.0	-52.34	260.47	5.98	-46.36
COC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)N2C=C1	REAL250004575633	0	30	-1.0	-48.31	255.34	4.54	-43.77
COC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)N2C=C1	REAL250004575633	1	30	-1.0	-48.22	255.49	4.52	-43.70
CC1=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004575634	0	29	-1.0	-51.30	253.62	6.13	-45.17
CC1=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004575634	1	29	-1.0	-51.23	253.77	6.10	-45.13
CCC(CC1=CC=CC=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575635	0	38	-1.0	-45.84	297.03	8.05	-37.79
CCC(CC1=CC=CC=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575635	1	38	-1.0	-45.89	296.90	8.08	-37.81
CN(C(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL250004575636	0	32	-1.0	-53.02	280.64	8.97	-44.05
CN(C(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL250004575636	1	32	-1.0	-52.90	280.78	8.95	-43.95
CN(C(=O)CCC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004575637	0	33	-1.0	-48.61	290.53	6.35	-42.26
CN(C(=O)CCC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004575637	1	33	-1.0	-48.69	290.39	6.38	-42.31
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(Br)O1	REAL250004575638	0	23	-1.0	-42.73	223.09	4.51	-38.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(Br)O1	REAL250004575638	1	23	-1.0	-42.82	222.95	4.52	-38.30
CN(C(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004575639	0	27	-1.0	-47.40	240.41	4.57	-42.83
CN(C(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004575639	1	27	-1.0	-47.32	240.55	4.57	-42.75
CC(=O)NC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575640	0	33	-1.0	-55.59	286.23	4.86	-50.73
CC(=O)NC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575640	1	33	-1.0	-55.68	286.09	4.90	-50.78
CN(C(=O)C1=COC(=O)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004575641	0	28	-1.0	-44.72	256.25	6.38	-38.34
CN(C(=O)C1=COC(=O)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004575641	1	28	-1.0	-44.62	256.40	6.36	-38.26
COC(=O)N1CC2CCC1C(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004575642	0	38	-1.0	-60.85	294.48	5.61	-55.24
COC(=O)N1CC2CCC1C(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004575642	1	38	-1.0	-60.96	294.34	5.63	-55.33
COC(=O)N1CC2C=CC1C(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004575643	0	36	-1.0	-53.04	288.67	4.83	-48.21
COC(=O)N1CC2C=CC1C(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004575643	1	36	-1.0	-53.16	288.53	4.85	-48.31
C=CCC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004575644	0	34	-1.0	-48.29	256.54	4.12	-44.17
C=CCC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004575644	1	34	-1.0	-48.42	256.40	4.13	-44.29
CN(C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575645	0	37	-1.0	-47.81	306.27	3.75	-44.06
CN(C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575645	1	37	-1.0	-47.90	306.14	3.76	-44.14
CC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004575646	0	36	-1.0	-49.69	284.59	7.78	-41.91
CC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004575646	1	36	-1.0	-49.63	284.72	7.77	-41.86
CN(C(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL250004575647	0	41	-1.0	-56.72	314.29	7.64	-49.08
CN(C(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL250004575647	1	41	-1.0	-56.79	314.16	7.67	-49.12
CN(C(=O)C1=CSC2=CC(Cl)=CN=C12)C1=NN=N[N-]1	REAL250004575648	0	25	-1.0	-54.62	250.90	5.02	-49.60
CN(C(=O)C1=CSC2=CC(Cl)=CN=C12)C1=N[N-]N=N1	REAL250004575648	1	25	-1.0	-54.51	251.04	5.01	-49.50
CN(C(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL250004575649	0	30	-1.0	-46.53	266.77	6.18	-40.35
CN(C(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL250004575649	1	30	-1.0	-46.49	266.91	6.15	-40.34
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004575650	0	35	-1.0	-43.97	278.94	5.98	-37.99
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004575650	1	35	-1.0	-44.07	278.80	5.99	-38.08
CN(C(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004575651	0	32	-1.0	-47.62	290.85	7.74	-39.88
CN(C(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004575651	1	32	-1.0	-47.67	290.72	7.77	-39.90
CN(C(=O)CC1=NC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL250004575652	0	32	-1.0	-54.10	279.31	5.45	-48.65
CN(C(=O)CC1=NC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL250004575652	1	32	-1.0	-54.17	279.17	5.47	-48.70
CN(C(=O)C1CCC2=NC=NC=C2C1)C1=N[N-]N=N1	REAL250004575653	0	31	-1.0	-46.38	254.29	5.37	-41.01
CN(C(=O)C1CCC2=NC=NC=C2C1)C1=NN=N[N-]1	REAL250004575653	1	31	-1.0	-46.43	254.16	5.40	-41.03
CN(C(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=NN=N[N-]1	REAL250004575654	0	26	-1.0	-45.59	255.59	6.75	-38.84
CN(C(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=N[N-]N=N1	REAL250004575654	1	26	-1.0	-45.52	255.73	6.73	-38.79
CN(C(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004575655	0	29	-1.0	-54.09	257.47	5.80	-48.29
CN(C(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004575655	1	29	-1.0	-54.01	257.60	5.78	-48.23
CC1CCN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C1	REAL250004575656	0	33	-1.0	-47.95	267.56	4.97	-42.98
CC1CCN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C1	REAL250004575656	1	33	-1.0	-47.87	267.70	4.94	-42.93
CN(C(=O)CC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004575657	0	34	-1.0	-49.67	283.57	6.60	-43.07
CN(C(=O)CC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004575657	1	34	-1.0	-49.74	283.43	6.63	-43.11
CSC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575658	0	36	-1.0	-50.52	312.97	8.58	-41.94
CSC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575658	1	36	-1.0	-50.62	312.84	8.61	-42.01
CN(C(=O)CN1N=NN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL250004575659	0	28	-1.0	-51.91	263.88	3.83	-48.08
CN(C(=O)CN1N=NN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL250004575659	1	28	-1.0	-51.99	263.74	3.84	-48.15
CN(C(=O)C1=COC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004575660	0	26	-1.0	-52.51	238.63	5.53	-46.98
CN(C(=O)C1=COC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004575660	1	26	-1.0	-52.42	238.77	5.50	-46.92
CCOC(=O)C1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575661	0	41	-1.0	-48.09	319.20	7.57	-40.52
CCOC(=O)C1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575661	1	41	-1.0	-48.15	319.06	7.59	-40.56
CN(C(=O)C1(C2=CC=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004575662	0	33	-1.0	-54.71	269.24	7.13	-47.58
CN(C(=O)C1(C2=CC=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004575662	1	33	-1.0	-54.79	269.11	7.16	-47.63
CN(C(=O)CCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575663	0	37	-1.0	-54.93	301.73	6.59	-48.34
CN(C(=O)CCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575663	1	37	-1.0	-54.99	301.59	6.62	-48.37
CN(C(=O)CN1C=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004575664	0	30	-1.0	-52.01	269.30	7.48	-44.53
CN(C(=O)CN1C=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004575664	1	30	-1.0	-51.93	269.43	7.46	-44.47
CC(C)=CCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004575665	0	38	-1.0	-46.69	299.98	7.77	-38.92
CC(C)=CCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004575665	1	38	-1.0	-46.78	299.85	7.78	-39.00
CN(C(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=NN=N[N-]1	REAL250004575666	0	34	-1.0	-47.54	278.62	6.14	-41.40
CN(C(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=N[N-]N=N1	REAL250004575666	1	34	-1.0	-47.48	278.77	6.14	-41.34
CN(C(=O)COCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575667	0	35	-1.0	-58.89	293.85	5.76	-53.13
CN(C(=O)COCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575667	1	35	-1.0	-58.98	293.72	5.79	-53.19
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)N=N1	REAL250004575668	0	34	-1.0	-54.77	290.38	6.26	-48.51
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)N=N1	REAL250004575668	1	34	-1.0	-54.69	290.52	6.26	-48.43
CN(C(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004575669	0	28	-1.0	-54.23	243.36	5.40	-48.83
CN(C(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004575669	1	28	-1.0	-54.15	243.50	5.39	-48.76
CCCC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575670	0	41	-1.0	-49.08	337.15	9.78	-39.30
CCCC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575670	1	41	-1.0	-49.21	337.01	9.81	-39.40
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004575671	0	32	-1.0	-48.48	274.53	6.81	-41.67
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004575671	1	32	-1.0	-48.43	274.67	6.79	-41.64
CN(C(=O)C1(C)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575672	0	33	-1.0	-50.83	260.27	7.10	-43.73
CN(C(=O)C1(C)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575672	1	33	-1.0	-50.76	260.40	7.08	-43.68
CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=N[N-]N=N1	REAL250004575673	0	34	-1.0	-63.50	278.67	6.35	-57.15
CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=NN=N[N-]1	REAL250004575673	1	34	-1.0	-63.59	278.54	6.36	-57.23
COC(=O)C12CC(C(=O)N(C)C3=N[N-]N=N3)(C1)C2	REAL250004575674	0	30	-1.0	-47.76	258.00	5.29	-42.47
COC(=O)C12CC(C(=O)N(C)C3=NN=N[N-]3)(C1)C2	REAL250004575674	1	30	-1.0	-47.80	257.86	5.32	-42.48
CN(C(=O)C(C)(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575675	0	37	-1.0	-33.54	281.57	6.18	-27.36
CN(C(=O)C(C)(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575675	1	37	-1.0	-33.55	281.42	6.20	-27.35
CC(C)C(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575676	0	40	-1.0	-51.19	312.06	6.80	-44.39
CC(C)C(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575676	1	40	-1.0	-51.25	311.92	6.81	-44.44
CN(C(=O)CN1CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL250004575677	0	32	-1.0	-58.65	279.35	6.03	-52.62
CN(C(=O)CN1CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL250004575677	1	32	-1.0	-58.71	279.21	6.04	-52.67
CC1=C(C2=CC=CC=C2)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575678	0	33	-1.0	-46.36	291.31	8.16	-38.20
CC1=C(C2=CC=CC=C2)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575678	1	33	-1.0	-46.24	291.46	8.16	-38.08
CN(C(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004575679	0	25	-1.0	-43.41	232.50	3.93	-39.48
CN(C(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004575679	1	25	-1.0	-43.51	232.36	3.94	-39.57
CN(C(=O)C1=C2OCCOC2=CS1)C1=NN=N[N-]1	REAL250004575680	0	26	-1.0	-51.86	235.07	3.25	-48.61
CN(C(=O)C1=C2OCCOC2=CS1)C1=N[N-]N=N1	REAL250004575680	1	26	-1.0	-51.76	235.22	3.25	-48.51
CN(C(=O)CCCC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004575681	0	32	-1.0	-50.32	283.39	7.61	-42.71
CN(C(=O)CCCC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004575681	1	32	-1.0	-50.41	283.25	7.64	-42.77
CN(C(=O)C1=CN=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575682	0	25	-1.0	-48.84	232.93	4.04	-44.80
CN(C(=O)C1=CN=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575682	1	25	-1.0	-48.82	233.08	4.03	-44.79
CN(C(=O)C1CCCCC1N1C=CC=N1)C1=NN=N[N-]1	REAL250004575683	0	36	-1.0	-48.00	273.72	6.72	-41.28
CN(C(=O)C1CCCCC1N1C=CC=N1)C1=N[N-]N=N1	REAL250004575683	1	36	-1.0	-47.90	273.85	6.69	-41.21
CC(C)C1CCC(C)CC1C(=O)N(C)C1=N[N-]N=N1	REAL250004575684	0	41	-1.0	-48.69	301.62	7.45	-41.24
CC(C)C1CCC(C)CC1C(=O)N(C)C1=NN=N[N-]1	REAL250004575684	1	41	-1.0	-48.69	301.41	7.48	-41.21
CC(C(=O)N(C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004575685	0	39	-1.0	-47.46	304.47	5.04	-42.42
CC(C(=O)N(C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004575685	1	39	-1.0	-47.52	304.34	5.06	-42.46
CN(C(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=NN=N[N-]1	REAL250004575686	0	34	-1.0	-50.14	273.88	3.29	-46.85
CN(C(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=N[N-]N=N1	REAL250004575686	1	34	-1.0	-50.10	274.01	3.29	-46.81
CC(CC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575687	0	33	-1.0	-47.62	282.60	7.35	-40.27
CC(CC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575687	1	33	-1.0	-47.67	282.47	7.38	-40.29
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL250004575688	0	31	-1.0	-51.98	274.11	7.07	-44.91
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL250004575688	1	31	-1.0	-51.86	274.25	7.06	-44.80
CN(C(=O)CCCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575689	0	40	-1.0	-48.30	323.23	7.37	-40.93
CN(C(=O)CCCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575689	1	40	-1.0	-48.45	323.09	7.40	-41.05
CN(C(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004575690	0	29	-1.0	-42.82	264.58	5.64	-37.18
CN(C(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004575690	1	29	-1.0	-42.88	264.44	5.66	-37.22
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004575691	0	35	-1.0	-48.80	279.13	7.24	-41.56
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004575691	1	35	-1.0	-48.69	279.27	7.25	-41.44
CN(C(=O)C1=CC=C2OCCOC2=N1)C1=NN=N[N-]1	REAL250004575692	0	28	-1.0	-48.62	243.76	2.56	-46.06
CN(C(=O)C1=CC=C2OCCOC2=N1)C1=N[N-]N=N1	REAL250004575692	1	28	-1.0	-48.56	243.90	2.56	-46.00
CN(C(=O)CCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004575693	0	32	-1.0	-49.77	279.17	7.62	-42.15
CN(C(=O)CCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004575693	1	32	-1.0	-49.84	279.03	7.66	-42.18
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N1C	REAL250004575694	0	29	-1.0	-59.54	259.47	4.21	-55.33
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N1C	REAL250004575694	1	29	-1.0	-59.60	259.34	4.24	-55.36
CN(C(=O)CC1OCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575695	0	31	-1.0	-51.28	264.01	5.88	-45.40
CN(C(=O)CC1OCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575695	1	31	-1.0	-51.36	263.87	5.90	-45.46
COC1=CC=C2CCCC(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575696	0	37	-1.0	-53.88	296.22	6.73	-47.15
COC1=CC=C2CCCC(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575696	1	37	-1.0	-53.96	296.09	6.75	-47.21
CN(C(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL250004575697	0	38	-1.0	-46.54	283.95	7.35	-39.19
CN(C(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL250004575697	1	38	-1.0	-46.64	283.82	7.38	-39.26
CN(C(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL250004575698	0	34	-1.0	-56.96	278.59	6.64	-50.32
CN(C(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL250004575698	1	34	-1.0	-56.81	278.74	6.62	-50.19
CN(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004575699	0	30	-1.0	-42.23	269.99	4.17	-38.06
CN(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004575699	1	30	-1.0	-42.17	270.14	4.16	-38.01
CN(C(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL250004575700	0	38	-1.0	-44.73	300.08	6.59	-38.14
CN(C(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL250004575700	1	38	-1.0	-44.79	299.95	6.62	-38.17
CN(C(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL250004575702	0	30	-1.0	-44.18	259.92	6.85	-37.33
CN(C(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL250004575702	1	30	-1.0	-44.30	259.75	6.87	-37.43
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL250004575703	0	33	-1.0	-54.05	262.79	6.53	-47.52
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL250004575703	1	33	-1.0	-54.13	262.66	6.55	-47.58
CN(C(=O)C1=CC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL250004575704	0	26	-1.0	-53.50	244.72	5.92	-47.58
CN(C(=O)C1=CC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL250004575704	1	26	-1.0	-53.59	244.58	5.92	-47.67
CN(C(=O)CC1OCC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004575705	0	31	-1.0	-49.21	281.08	6.42	-42.79
CN(C(=O)CC1OCC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004575705	1	31	-1.0	-49.28	280.95	6.45	-42.83
CN(C(=O)C1=CC=C(OCC(F)(F)F)O1)C1=N[N-]N=N1	REAL250004575706	0	27	-1.0	-44.12	260.33	5.07	-39.05
CN(C(=O)C1=CC=C(OCC(F)(F)F)O1)C1=NN=N[N-]1	REAL250004575706	1	27	-1.0	-44.22	260.18	5.09	-39.13
CN(C(=O)C1=CC=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL250004575707	0	29	-1.0	-52.73	251.85	2.44	-50.29
CN(C(=O)C1=CC=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL250004575707	1	29	-1.0	-52.64	252.00	2.45	-50.19
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575708	0	28	-1.0	-56.08	258.66	6.58	-49.50
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575708	1	28	-1.0	-56.01	258.80	6.58	-49.43
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575709	0	43	-1.0	-33.18	318.29	7.40	-25.78
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575709	1	43	-1.0	-33.29	317.85	7.44	-25.85
CN(C(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004575710	0	28	-1.0	-47.52	244.14	5.42	-42.10
CN(C(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004575710	1	28	-1.0	-47.42	244.27	5.42	-42.00
CN(C(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004575711	0	31	-1.0	-47.46	272.02	5.31	-42.15
CN(C(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004575711	1	31	-1.0	-47.38	272.16	5.30	-42.08
CN(C(=O)C1=C2N=CSC2=CC=C1)C1=NN=N[N-]1	REAL250004575712	0	25	-1.0	-56.97	235.94	4.39	-52.58
CN(C(=O)C1=C2N=CSC2=CC=C1)C1=N[N-]N=N1	REAL250004575712	1	25	-1.0	-56.93	236.09	4.38	-52.55
CN(C(=O)C1=COC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004575713	0	26	-1.0	-53.74	246.63	0.57	-53.17
CN(C(=O)C1=COC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004575713	1	26	-1.0	-53.81	246.48	0.58	-53.23
CN(C(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575714	0	34	-1.0	-49.17	287.15	7.88	-41.29
CN(C(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575714	1	34	-1.0	-49.25	287.04	7.89	-41.36
CN(C(=O)C1=COC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004575715	0	26	-1.0	-51.21	248.95	5.97	-45.24
CN(C(=O)C1=COC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004575715	1	26	-1.0	-51.15	249.08	5.94	-45.21
CN(C(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004575716	0	30	-1.0	-50.79	261.94	8.19	-42.60
CN(C(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004575716	1	30	-1.0	-50.71	262.09	8.17	-42.54
CN(C(=O)C1=C(Cl)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575717	0	26	-1.0	-46.38	254.32	6.17	-40.21
CN(C(=O)C1=C(Cl)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575717	1	26	-1.0	-46.32	254.47	6.15	-40.17
CC1=CN=C2C=C(C(=O)N(C)C3=N[N-]N=N3)C=CN12	REAL250004575718	0	29	-1.0	-48.50	258.24	6.25	-42.25
CC1=CN=C2C=C(C(=O)N(C)C3=NN=N[N-]3)C=CN12	REAL250004575718	1	29	-1.0	-48.61	258.11	6.24	-42.37
CN(C(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004575719	0	28	-1.0	-53.60	256.86	6.38	-47.22
CN(C(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004575719	1	28	-1.0	-53.66	256.73	6.40	-47.26
CN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004575720	0	42	-1.0	-44.59	322.70	4.59	-40.00
CN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004575720	1	42	-1.0	-44.67	322.56	4.61	-40.06
CN(C(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004575721	0	33	-1.0	-34.29	264.57	7.78	-26.51
CN(C(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004575721	1	33	-1.0	-34.34	264.38	7.79	-26.55
CC(COCC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004575722	0	36	-1.0	-50.23	302.66	7.65	-42.58
CC(COCC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004575722	1	36	-1.0	-50.32	302.52	7.67	-42.65
CN(C(=O)COCCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004575723	0	33	-1.0	-50.65	292.25	7.19	-43.46
CN(C(=O)COCCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004575723	1	33	-1.0	-50.69	292.12	7.22	-43.47
CN(C(=O)CN1N=C2CCCCN2C1=O)C1=N[N-]N=N1	REAL250004575724	0	33	-1.0	-59.46	280.36	5.29	-54.17
CN(C(=O)CN1N=C2CCCCN2C1=O)C1=NN=N[N-]1	REAL250004575724	1	33	-1.0	-59.51	280.23	5.31	-54.20
CN(C(=O)C1=CC(F)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004575725	0	28	-1.0	-48.62	249.30	5.47	-43.15
CN(C(=O)C1=CC(F)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004575725	1	28	-1.0	-48.60	249.44	5.45	-43.15
CC1=NN=NN1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575726	0	31	-1.0	-51.18	269.37	4.94	-46.24
CC1=NN=NN1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575726	1	31	-1.0	-51.13	269.51	4.95	-46.18
CC1=NN(CC2CC2)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004575727	0	39	-1.0	-51.55	324.22	7.14	-44.41
CC1=NN(CC2CC2)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004575727	1	39	-1.0	-51.59	324.08	7.16	-44.43
CN(C(=O)CCCC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004575728	0	42	-1.0	-49.77	335.46	10.06	-39.71
CN(C(=O)CCCC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004575728	1	42	-1.0	-49.86	335.32	10.08	-39.78
CN(C(=O)C1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL250004575729	0	32	-1.0	-54.46	262.25	5.79	-48.67
CN(C(=O)C1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL250004575729	1	32	-1.0	-54.40	262.40	5.78	-48.62
CN(C(=O)C1(N2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL250004575730	0	34	-1.0	-39.42	263.64	5.61	-33.81
CN(C(=O)C1(N2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL250004575730	1	34	-1.0	-39.36	263.77	5.57	-33.79
CN(C(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL250004575731	0	33	-1.0	-50.97	274.60	7.42	-43.55
CN(C(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL250004575731	1	33	-1.0	-51.04	274.46	7.44	-43.60
CSC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575732	0	26	-1.0	-52.73	234.09	5.21	-47.52
CSC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575732	1	26	-1.0	-52.66	234.23	5.20	-47.46
CN(C(=O)C1=NSC=C1Br)C1=NN=N[N-]1	REAL250004575733	0	19	-1.0	-47.09	206.02	3.79	-43.30
CN(C(=O)C1=NSC=C1Br)C1=N[N-]N=N1	REAL250004575733	1	19	-1.0	-46.98	206.16	3.77	-43.21
CN(C(=O)C(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL250004575734	0	33	-1.0	-44.25	276.61	4.81	-39.44
CN(C(=O)C(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL250004575734	1	33	-1.0	-44.16	276.74	4.80	-39.36
CN(C(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=NN=N[N-]1	REAL250004575735	0	26	-1.0	-52.41	247.12	7.70	-44.71
CN(C(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=N[N-]N=N1	REAL250004575735	1	26	-1.0	-52.30	247.27	7.69	-44.61
CSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575736	0	26	-1.0	-46.52	237.12	5.18	-41.34
CSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575736	1	26	-1.0	-46.48	237.26	5.16	-41.32
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004575737	0	29	-1.0	-46.90	257.61	6.74	-40.16
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004575737	1	29	-1.0	-46.96	257.48	6.77	-40.19
COC(CC(=O)N(C)C1=N[N-]N=N1)C(F)(F)F	REAL250004575738	0	26	-1.0	-44.29	237.86	3.83	-40.46
COC(CC(=O)N(C)C1=NN=N[N-]1)C(F)(F)F	REAL250004575738	1	26	-1.0	-44.41	237.72	3.86	-40.55
CN(C(=O)CC1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004575739	0	40	-1.0	-48.07	283.65	7.73	-40.34
CN(C(=O)CC1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004575739	1	40	-1.0	-48.16	283.51	7.75	-40.41
CN(C(=O)C12CC3CC(C(=O)N1)C2C3)C1=N[N-]N=N1	REAL250004575740	0	32	-1.0	-37.61	246.18	3.59	-34.02
CN(C(=O)C12CC3CC(C(=O)N1)C2C3)C1=NN=N[N-]1	REAL250004575740	1	32	-1.0	-37.63	246.04	3.62	-34.01
CN(C(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004575741	0	37	-1.0	-53.23	305.86	3.45	-49.78
CN(C(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004575741	1	37	-1.0	-53.31	305.73	3.48	-49.83
CN(C(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004575742	0	26	-1.0	-65.31	242.56	0.78	-64.53
CN(C(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004575742	1	26	-1.0	-65.27	242.70	0.76	-64.51
CC1=CC=CC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N2C)=C1	REAL250004575743	0	37	-1.0	-48.04	299.08	8.26	-39.78
CC1=CC=CC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N2C)=C1	REAL250004575743	1	37	-1.0	-47.97	299.23	8.26	-39.71
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004575744	0	33	-1.0	-48.08	274.27	4.22	-43.86
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004575744	1	33	-1.0	-48.17	274.14	4.23	-43.94
CN(C(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL250004575745	0	29	-1.0	-49.31	269.47	5.07	-44.24
CN(C(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL250004575745	1	29	-1.0	-49.40	269.34	5.10	-44.30
CN(C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004575746	0	41	-1.0	-54.05	322.12	7.46	-46.59
CN(C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004575746	1	41	-1.0	-54.11	321.99	7.48	-46.63
CN(C(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004575747	0	30	-1.0	-45.19	259.85	3.26	-41.93
CN(C(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004575747	1	30	-1.0	-45.13	259.99	3.26	-41.87
CN(C(=O)CC12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL250004575748	0	33	-1.0	-42.91	266.66	6.72	-36.19
CN(C(=O)CC12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL250004575748	1	33	-1.0	-42.97	266.53	6.74	-36.23
CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=N[N-]N=N1	REAL250004575749	0	39	-1.0	-32.00	292.98	8.07	-23.93
CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=NN=N[N-]1	REAL250004575749	1	39	-1.0	-32.01	292.83	8.10	-23.91
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575750	0	37	-1.0	-50.67	307.68	7.41	-43.26
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575750	1	37	-1.0	-50.74	307.55	7.43	-43.31
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C#N	REAL250004575751	0	28	-1.0	-46.61	252.67	4.64	-41.97
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C#N	REAL250004575751	1	28	-1.0	-46.57	252.81	4.64	-41.93
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)N=CN2C=C1	REAL250004575752	0	29	-1.0	-58.85	251.85	7.86	-50.99
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)N=CN2C=C1	REAL250004575752	1	29	-1.0	-58.78	252.00	7.84	-50.94
CN(C(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL250004575753	0	25	-1.0	-47.62	250.82	4.77	-42.85
CN(C(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL250004575753	1	25	-1.0	-47.55	250.97	4.76	-42.79
CN(C(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL250004575754	0	28	-1.0	-47.63	248.28	5.44	-42.19
CN(C(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL250004575754	1	28	-1.0	-47.52	248.41	5.43	-42.09
CN(C(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL250004575755	0	29	-1.0	-50.19	262.49	5.05	-45.14
CN(C(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL250004575755	1	29	-1.0	-50.11	262.62	5.02	-45.09
CN(C(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004575756	0	25	-1.0	-47.52	250.10	4.84	-42.68
CN(C(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004575756	1	25	-1.0	-47.42	250.23	4.82	-42.60
CN(C(=O)C1=CN=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575757	0	29	-1.0	-44.29	252.37	4.59	-39.70
CN(C(=O)C1=CN=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575757	1	29	-1.0	-44.23	252.52	4.56	-39.67
CN(C(=O)C(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004575758	0	28	-1.0	-30.14	224.61	4.12	-26.02
CN(C(=O)C(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004575758	1	28	-1.0	-30.19	224.46	4.14	-26.05
CN(C(=O)C1COCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575759	0	34	-1.0	-54.96	268.35	5.55	-49.41
CN(C(=O)C1COCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575759	1	34	-1.0	-55.06	268.24	5.56	-49.50
COC1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575760	0	29	-1.0	-46.60	259.19	2.35	-44.25
COC1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575760	1	29	-1.0	-46.73	259.06	2.38	-44.35
CN(C(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL250004575761	0	39	-1.0	-44.40	304.00	6.97	-37.43
CN(C(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL250004575761	1	39	-1.0	-44.43	303.87	6.97	-37.46
CN(C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL250004575762	0	43	-1.0	-52.90	323.63	7.91	-44.99
CN(C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL250004575762	1	43	-1.0	-52.93	323.50	7.92	-45.01
CN(C(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL250004575763	0	38	-1.0	-51.62	309.70	7.01	-44.61
CN(C(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL250004575763	1	38	-1.0	-51.68	309.56	7.02	-44.66
C=C(C)CC(NC(C)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004575764	0	33	-1.0	-37.47	263.46	3.14	-34.33
C=C(C)CC(NC(C)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004575764	1	33	-1.0	-37.53	263.37	3.17	-34.36
COC1(C(=O)N(C)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004575765	0	33	-1.0	-42.98	255.66	4.35	-38.63
COC1(C(=O)N(C)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004575765	1	33	-1.0	-43.05	255.52	4.37	-38.68
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL250004575766	0	34	-1.0	-55.23	285.18	7.85	-47.38
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL250004575766	1	34	-1.0	-55.16	285.33	7.82	-47.34
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL250004575767	0	29	-1.0	-40.48	267.36	6.29	-34.19
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL250004575767	1	29	-1.0	-40.41	267.50	6.28	-34.13
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004575768	0	27	-1.0	-47.59	249.42	5.48	-42.11
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004575768	1	27	-1.0	-47.52	249.55	5.46	-42.06
CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004575769	0	41	-1.0	-46.32	297.04	7.13	-39.19
CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004575769	1	41	-1.0	-46.44	296.90	7.15	-39.29
CN(C(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL250004575770	0	31	-1.0	-50.62	254.93	5.04	-45.58
CN(C(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL250004575770	1	31	-1.0	-50.56	255.06	5.03	-45.53
CN(C(=O)C1=C(C2CCC2)C=NN1C)C1=NN=N[N-]1	REAL250004575771	0	33	-1.0	-44.96	279.52	5.54	-39.42
CN(C(=O)C1=C(C2CCC2)C=NN1C)C1=N[N-]N=N1	REAL250004575771	1	33	-1.0	-44.90	279.66	5.53	-39.37
CN(C(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=NN=N[N-]1	REAL250004575772	0	33	-1.0	-68.37	282.33	7.25	-61.12
CN(C(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=N[N-]N=N1	REAL250004575772	1	33	-1.0	-68.32	282.45	7.25	-61.07
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)O1	REAL250004575773	0	29	-1.0	-44.14	257.91	4.56	-39.58
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)O1	REAL250004575773	1	29	-1.0	-44.20	257.77	4.57	-39.63
CN(C(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL250004575774	0	26	-1.0	-54.98	240.56	4.38	-50.60
CN(C(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL250004575774	1	26	-1.0	-55.03	240.41	4.39	-50.64
COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004575775	0	30	-1.0	-45.41	264.02	5.32	-40.09
COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004575775	1	30	-1.0	-45.49	263.89	5.35	-40.14
CN(C(=O)C1=C(F)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004575776	0	28	-1.0	-55.42	255.55	5.56	-49.86
CN(C(=O)C1=C(F)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004575776	1	28	-1.0	-55.36	255.69	5.54	-49.82
CN(C(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004575777	0	28	-1.0	-47.45	257.27	2.94	-44.51
CN(C(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004575777	1	28	-1.0	-47.32	257.41	2.92	-44.40
COCCCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C=CC1=O	REAL250004575778	0	35	-1.0	-44.35	301.72	3.45	-40.90
COCCCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C=CC1=O	REAL250004575778	1	35	-1.0	-44.44	301.58	3.46	-40.98
CN(C(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL250004575779	0	24	-1.0	-44.53	227.76	5.27	-39.26
CN(C(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL250004575779	1	24	-1.0	-44.48	227.90	5.25	-39.23
CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=N[N-]N=N1	REAL250004575780	0	40	-1.0	-43.64	286.03	5.94	-37.70
CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=NN=N[N-]1	REAL250004575780	1	40	-1.0	-43.70	285.90	5.97	-37.73
CN(C(=O)C1=C(C2=NOC=C2)OC=N1)C1=NN=N[N-]1	REAL250004575781	0	25	-1.0	-57.56	231.57	2.48	-55.08
CN(C(=O)C1=C(C2=NOC=C2)OC=N1)C1=N[N-]N=N1	REAL250004575781	1	25	-1.0	-57.47	231.71	2.46	-55.01
CN(C(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004575782	0	33	-1.0	-54.24	283.23	3.55	-50.69
CN(C(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004575782	1	33	-1.0	-54.32	283.09	3.58	-50.74
CN(C(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004575783	0	31	-1.0	-48.73	256.69	5.00	-43.73
CN(C(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004575783	1	31	-1.0	-48.65	256.83	5.02	-43.63
CN(C(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL250004575784	0	26	-1.0	-44.58	255.76	6.75	-37.83
CN(C(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL250004575784	1	26	-1.0	-44.48	255.90	6.73	-37.75
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575785	0	34	-1.0	-49.20	286.46	6.58	-42.62
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575785	1	34	-1.0	-49.28	286.33	6.60	-42.68
CN(C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL250004575786	0	32	-1.0	-49.19	282.72	6.57	-42.62
CN(C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL250004575786	1	32	-1.0	-49.11	282.86	6.56	-42.55
CN(C(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004575787	0	42	-1.0	-47.71	331.70	9.78	-37.93
CN(C(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004575787	1	42	-1.0	-47.74	331.58	9.81	-37.93
CN(C(=O)C1(C(F)(F)F)CCCCC1)C1=N[N-]N=N1	REAL250004575788	0	32	-1.0	-44.65	244.25	5.66	-38.99
CN(C(=O)C1(C(F)(F)F)CCCCC1)C1=NN=N[N-]1	REAL250004575788	1	32	-1.0	-44.73	244.11	5.67	-39.06
CN(C)C(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575789	0	39	-1.0	-37.30	297.29	5.41	-31.89
CN(C)C(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575789	1	39	-1.0	-37.39	297.18	5.43	-31.96
CC1=C(Br)C=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575790	0	25	-1.0	-42.16	236.05	4.31	-37.85
CC1=C(Br)C=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575790	1	25	-1.0	-42.25	235.91	4.33	-37.92
COC1=CC=C(OC(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575791	0	37	-1.0	-32.52	282.81	5.11	-27.41
COC1=CC=C(OC(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575791	1	37	-1.0	-32.58	282.67	5.11	-27.47
COC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004575792	0	30	-1.0	-50.84	272.91	5.73	-45.11
COC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004575792	1	30	-1.0	-50.94	272.78	5.76	-45.18
CN(C(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004575793	0	26	-1.0	-47.90	254.40	6.33	-41.57
CN(C(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004575793	1	26	-1.0	-47.96	254.26	6.36	-41.60
CN(C(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL250004575794	0	29	-1.0	-58.11	262.30	4.94	-53.17
CN(C(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL250004575794	1	29	-1.0	-58.02	262.44	4.93	-53.09
CN(C(=O)C1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL250004575795	0	32	-1.0	-42.23	253.94	2.85	-39.38
CN(C(=O)C1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL250004575795	1	32	-1.0	-42.13	254.07	2.83	-39.30
CC(C)N(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004575796	0	42	-1.0	-52.33	327.31	6.28	-46.05
CC(C)N(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004575796	1	42	-1.0	-52.40	327.18	6.30	-46.10
CN(C(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004575797	0	28	-1.0	-44.22	276.53	7.66	-36.56
CN(C(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004575797	1	28	-1.0	-43.97	276.38	7.67	-36.30
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004575798	0	33	-1.0	-47.77	275.50	7.80	-39.97
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004575798	1	33	-1.0	-47.85	275.36	7.83	-40.02
CN(C(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL250004575799	0	31	-1.0	-49.22	257.08	6.24	-42.98
CN(C(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL250004575799	1	31	-1.0	-49.27	256.95	6.26	-43.01
COC(C(=O)N(C)C1=N[N-]N=N1)C1CCCCC1	REAL250004575800	0	36	-1.0	-50.44	275.21	5.95	-44.49
COC(C(=O)N(C)C1=NN=N[N-]1)C1CCCCC1	REAL250004575800	1	36	-1.0	-50.53	275.09	5.96	-44.57
CC1CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2O1	REAL250004575801	0	31	-1.0	-47.70	258.94	5.51	-42.19
CC1CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2O1	REAL250004575801	1	31	-1.0	-47.63	259.08	5.50	-42.13
CN(C(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575802	0	29	-1.0	-48.55	264.98	7.71	-40.84
CN(C(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575802	1	29	-1.0	-48.48	265.11	7.69	-40.79
COCC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575803	0	27	-1.0	-47.67	247.54	3.53	-44.14
COCC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575803	1	27	-1.0	-47.74	247.39	3.55	-44.19
CN(C(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL250004575804	0	27	-1.0	-45.63	234.05	3.21	-42.42
CN(C(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL250004575804	1	27	-1.0	-45.70	233.91	3.24	-42.46
CN(C(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL250004575805	0	30	-1.0	-50.19	243.19	5.96	-44.23
CN(C(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL250004575805	1	30	-1.0	-50.28	243.05	5.98	-44.30
CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL250004575806	0	34	-1.0	-35.04	280.28	1.82	-33.22
CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL250004575806	1	34	-1.0	-35.15	280.14	1.84	-33.31
CN(C(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL250004575807	0	32	-1.0	-58.85	279.72	5.33	-53.52
CN(C(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL250004575807	1	32	-1.0	-58.81	279.86	5.34	-53.47
CN(C(=O)C1(C(F)(F)F)CCOCC1)C1=N[N-]N=N1	REAL250004575808	0	30	-1.0	-43.29	236.38	3.23	-40.06
CN(C(=O)C1(C(F)(F)F)CCOCC1)C1=NN=N[N-]1	REAL250004575808	1	30	-1.0	-43.35	236.25	3.25	-40.10
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004575809	0	35	-1.0	-47.91	261.89	6.00	-41.91
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004575809	1	35	-1.0	-47.95	261.76	6.01	-41.94
CN(C(=O)C1=C(C(F)(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004575810	0	26	-1.0	-43.78	251.84	3.87	-39.91
CN(C(=O)C1=C(C(F)(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004575810	1	26	-1.0	-43.69	251.98	3.88	-39.81
CN(C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575811	0	35	-1.0	-52.11	273.72	5.50	-46.61
CN(C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575811	1	35	-1.0	-52.18	273.58	5.53	-46.65
COC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575812	0	34	-1.0	-33.95	273.42	4.10	-29.85
COC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575812	1	34	-1.0	-33.95	273.30	4.10	-29.85
CN(C(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004575813	0	28	-1.0	-48.82	258.80	5.33	-43.49
CN(C(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004575813	1	28	-1.0	-48.73	258.93	5.31	-43.42
COC(C)(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575814	0	38	-1.0	-49.30	298.30	5.91	-43.39
COC(C)(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575814	1	38	-1.0	-49.38	298.16	5.92	-43.46
CN(C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL250004575815	0	41	-1.0	-47.32	318.22	7.23	-40.09
CN(C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL250004575815	1	41	-1.0	-47.39	318.09	7.26	-40.13
CN(C(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004575816	0	30	-1.0	-54.71	284.79	2.26	-52.45
CN(C(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004575816	1	30	-1.0	-54.81	284.64	2.28	-52.53
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004575817	0	36	-1.0	-53.29	266.58	4.50	-48.79
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004575817	1	36	-1.0	-53.34	266.44	4.52	-48.82
CN(C(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL250004575818	0	33	-1.0	-47.01	256.47	5.32	-41.69
CN(C(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL250004575818	1	33	-1.0	-46.89	256.62	5.30	-41.59
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL250004575819	0	32	-1.0	-47.49	279.76	8.08	-39.41
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL250004575819	1	32	-1.0	-47.44	279.90	8.05	-39.39
CC1=C(S(C)(=O)=O)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575820	0	29	-1.0	-56.06	267.48	1.69	-54.37
CC1=C(S(C)(=O)=O)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575820	1	29	-1.0	-56.09	267.33	1.72	-54.37
CN(C(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL250004575821	0	23	-1.0	-46.63	230.37	5.24	-41.39
CN(C(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL250004575821	1	23	-1.0	-46.56	230.52	5.22	-41.34
CC1=CC=CC=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575822	0	35	-1.0	-45.79	278.01	7.48	-38.31
CC1=CC=CC=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575822	1	35	-1.0	-45.88	277.88	7.50	-38.38
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004575823	0	26	-1.0	-43.11	239.49	5.18	-37.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004575823	1	26	-1.0	-43.16	239.35	5.21	-37.95
CN(C(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL250004575824	0	31	-1.0	-50.86	272.54	8.20	-42.66
CN(C(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL250004575824	1	31	-1.0	-50.95	272.41	8.23	-42.72
CC1=CC=C2OC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004575825	0	32	-1.0	-51.99	279.04	7.03	-44.96
CC1=CC=C2OC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004575825	1	32	-1.0	-51.91	279.18	6.99	-44.92
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004575826	0	30	-1.0	-49.66	262.84	5.82	-43.84
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004575826	1	30	-1.0	-49.71	262.70	5.85	-43.86
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004575827	0	35	-1.0	-31.95	297.47	8.34	-23.61
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004575827	1	35	-1.0	-32.02	297.35	8.36	-23.66
CN(C(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL250004575828	0	31	-1.0	-54.89	254.12	3.62	-51.27
CN(C(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL250004575828	1	31	-1.0	-54.99	253.99	3.65	-51.34
CN(C(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL250004575829	0	37	-1.0	-48.86	287.33	3.70	-45.16
CN(C(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL250004575829	1	37	-1.0	-48.92	287.16	3.73	-45.19
CN(C(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL250004575830	0	27	-1.0	-46.33	248.54	6.88	-39.45
CN(C(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL250004575830	1	27	-1.0	-46.39	248.40	6.90	-39.49
CN(C(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL250004575831	0	28	-1.0	-52.92	259.06	4.97	-47.95
CN(C(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL250004575831	1	28	-1.0	-52.84	259.21	4.97	-47.87
CN(C(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL250004575832	0	36	-1.0	-48.26	282.39	7.91	-40.35
CN(C(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL250004575832	1	36	-1.0	-48.33	282.25	7.94	-40.39
CN(C(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL250004575833	0	39	-1.0	-48.58	294.91	8.17	-40.41
CN(C(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL250004575833	1	39	-1.0	-48.68	294.78	8.18	-40.50
CC1=CC=C(COC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575834	0	36	-1.0	-51.96	299.83	7.46	-44.50
CC1=CC=C(COC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575834	1	36	-1.0	-52.05	299.70	7.49	-44.56
CN(C(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL250004575835	0	24	-1.0	-45.77	228.95	5.30	-40.47
CN(C(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL250004575835	1	24	-1.0	-45.73	229.09	5.28	-40.45
CCCCCCCCC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575836	0	43	-1.0	-31.26	330.64	8.93	-22.33
CCCCCCCCC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575836	1	43	-1.0	-31.33	330.55	8.99	-22.34
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004575837	0	40	-1.0	-47.94	325.73	4.54	-43.40
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004575837	1	40	-1.0	-48.03	325.60	4.55	-43.48
CN(C(=O)C1=CC=C(OCC(F)F)C=C1)C1=N[N-]N=N1	REAL250004575838	0	30	-1.0	-52.24	266.05	5.46	-46.78
CN(C(=O)C1=CC=C(OCC(F)F)C=C1)C1=NN=N[N-]1	REAL250004575838	1	30	-1.0	-52.29	265.91	5.46	-46.83
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL250004575839	0	32	-1.0	-60.17	277.32	5.30	-54.87
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL250004575839	1	32	-1.0	-60.13	277.46	5.30	-54.83
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL250004575840	0	32	-1.0	-60.17	277.32	5.30	-54.87
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL250004575840	1	32	-1.0	-60.13	277.46	5.30	-54.83
CN(C(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004575841	0	31	-1.0	-49.21	275.98	6.06	-43.15
CN(C(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004575841	1	31	-1.0	-49.28	275.84	6.08	-43.20
CN(C(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL250004575842	0	31	-1.0	-49.89	256.27	7.69	-42.20
CN(C(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL250004575842	1	31	-1.0	-49.96	256.13	7.72	-42.24
CN(C(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL250004575843	0	31	-1.0	-42.97	261.32	5.60	-37.37
CN(C(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL250004575843	1	31	-1.0	-43.03	261.19	5.63	-37.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004575844	0	29	-1.0	-53.41	269.21	1.42	-51.99
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004575844	1	29	-1.0	-53.53	269.06	1.45	-52.08
CC1=CC=CC=C1COC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575845	0	36	-1.0	-33.61	293.93	7.59	-26.02
CC1=CC=CC=C1COC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575845	1	36	-1.0	-33.70	293.79	7.61	-26.09
CSC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575846	0	27	-1.0	-44.39	247.67	5.28	-39.11
CSC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575846	1	27	-1.0	-44.48	247.52	5.29	-39.19
CN(C(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004575847	0	38	-1.0	-47.85	298.10	7.91	-39.94
CN(C(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004575847	1	38	-1.0	-47.79	298.24	7.92	-39.87
COC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC2(CCC2)C1	REAL250004575848	0	36	-1.0	-43.95	289.35	6.24	-37.71
COC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC2(CCC2)C1	REAL250004575848	1	36	-1.0	-43.99	289.21	6.25	-37.74
CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004575849	0	32	-1.0	-48.61	263.48	6.17	-42.44
CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004575849	1	32	-1.0	-48.68	263.33	6.19	-42.49
CN(C(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004575850	0	23	-1.0	-43.83	233.56	5.06	-38.77
CN(C(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004575850	1	23	-1.0	-43.89	233.43	5.09	-38.80
CN(C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004575851	0	36	-1.0	-48.71	285.90	8.12	-40.59
CN(C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004575851	1	36	-1.0	-48.78	285.77	8.14	-40.64
COCCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004575852	0	33	-1.0	-49.69	281.12	3.41	-46.28
COCCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004575852	1	33	-1.0	-49.62	281.26	3.38	-46.24
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004575853	0	37	-1.0	-51.91	301.94	4.90	-47.01
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004575853	1	37	-1.0	-52.00	301.80	4.92	-47.08
CN(C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL250004575854	0	34	-1.0	-49.26	287.08	3.90	-45.36
CN(C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL250004575854	1	34	-1.0	-49.18	287.22	3.88	-45.30
CN(C(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL250004575855	0	25	-1.0	-47.12	229.70	4.34	-42.78
CN(C(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL250004575855	1	25	-1.0	-47.07	229.83	4.35	-42.72
CCOC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004575856	0	34	-1.0	-43.92	257.23	2.96	-40.96
CCOC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004575856	1	34	-1.0	-44.00	257.10	2.97	-41.03
CN(C(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004575857	0	32	-1.0	-61.34	278.86	5.31	-56.03
CN(C(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004575857	1	32	-1.0	-61.26	279.00	5.31	-55.95
CC1=CC=CC=C1COCC(=O)N(C)C1=N[N-]N=N1	REAL250004575858	0	33	-1.0	-53.03	280.51	7.03	-46.00
CC1=CC=CC=C1COCC(=O)N(C)C1=NN=N[N-]1	REAL250004575858	1	33	-1.0	-53.10	280.37	7.05	-46.05
CC1=CC=CC(COCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575859	0	33	-1.0	-51.99	285.75	7.01	-44.98
CC1=CC=CC(COCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575859	1	33	-1.0	-52.07	285.61	7.03	-45.04
CN(C(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL250004575860	0	25	-1.0	-52.06	233.80	5.58	-46.48
CN(C(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL250004575860	1	25	-1.0	-51.95	233.94	5.58	-46.37
CN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL250004575861	0	32	-1.0	-68.33	261.38	4.17	-64.16
CN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL250004575861	1	32	-1.0	-68.45	261.24	4.18	-64.27
CN(C(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004575862	1	30	-1.0	-52.86	270.97	1.07	-51.79
CN(C(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004575862	1	30	-1.0	-52.78	271.11	1.06	-51.72
CN(C(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004575863	0	26	-1.0	-58.85	244.68	4.19	-54.66
CN(C(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004575863	1	26	-1.0	-58.92	244.55	4.21	-54.71
CN(C(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL250004575864	0	29	-1.0	-47.41	260.07	4.29	-43.12
CN(C(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL250004575864	1	29	-1.0	-47.36	260.21	4.29	-43.07
CC1=CN2C=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575865	0	29	-1.0	-59.18	258.22	6.41	-52.77
CC1=CN2C=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575865	1	29	-1.0	-59.22	258.09	6.42	-52.80
CN(C(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL250004575866	0	34	-1.0	-45.00	282.80	4.39	-40.61
CN(C(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL250004575866	1	34	-1.0	-44.92	282.93	4.38	-40.54
CC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575867	0	33	-1.0	-51.98	285.75	7.02	-44.96
CC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575867	1	33	-1.0	-52.05	285.61	7.04	-45.01
CN(C(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL250004575868	0	26	-1.0	-54.28	240.35	5.89	-48.39
CN(C(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL250004575868	1	26	-1.0	-54.31	240.21	5.89	-48.42
CN(C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004575869	0	30	-1.0	-49.32	269.94	6.07	-43.25
CN(C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004575869	1	30	-1.0	-49.23	270.10	6.04	-43.19
CN(C(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004575870	0	25	-1.0	-46.75	246.74	4.83	-41.92
CN(C(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004575870	1	25	-1.0	-46.69	246.89	4.83	-41.86
CN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004575871	0	33	-1.0	-49.27	287.33	5.24	-44.03
CN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004575871	1	33	-1.0	-49.38	287.19	5.28	-44.10
CC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004575872	0	26	-1.0	-52.10	242.99	5.91	-46.19
CC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004575872	1	26	-1.0	-52.04	243.13	5.89	-46.15
CN(C(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL250004575873	0	35	-1.0	-49.66	281.08	5.44	-44.22
CN(C(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL250004575873	1	35	-1.0	-49.61	281.16	5.42	-44.19
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC(C)C	REAL250004575874	0	37	-1.0	-54.00	304.68	6.40	-47.60
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC(C)C	REAL250004575874	1	37	-1.0	-53.93	304.79	6.42	-47.51
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575875	0	30	-1.0	-45.93	277.11	5.59	-40.34
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575875	1	30	-1.0	-46.00	276.97	5.62	-40.38
CN(C(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004575876	0	39	-1.0	-47.64	315.02	8.79	-38.85
CN(C(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004575876	1	39	-1.0	-47.72	314.87	8.80	-38.92
CN(C(=O)C1=C(F)C=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004575877	0	23	-1.0	-49.53	237.08	5.64	-43.89
CN(C(=O)C1=C(F)C=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004575877	1	23	-1.0	-49.59	236.93	5.66	-43.93
CCN1N=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575878	0	26	-1.0	-42.80	250.29	4.28	-38.52
CCN1N=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575878	1	26	-1.0	-42.72	250.43	4.26	-38.46
COC(=O)C1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575879	0	29	-1.0	-41.91	261.40	4.81	-37.10
COC(=O)C1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575879	1	29	-1.0	-42.03	261.26	4.83	-37.20
COC(=O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004575880	0	29	-1.0	-55.69	266.71	4.06	-51.63
COC(=O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004575880	1	29	-1.0	-55.63	266.85	4.04	-51.59
C[C@@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004575881	0	39	-1.0	-54.39	315.72	4.02	-50.37
C[C@@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004575881	1	39	-1.0	-54.48	315.58	4.05	-50.43
CN(C(=O)C1=CN(C)N=C1C1=CC=CO1)C1=NN=N[N-]1	REAL250004575882	0	30	-1.0	-56.71	267.34	4.73	-51.98
CN(C(=O)C1=CN(C)N=C1C1=CC=CO1)C1=N[N-]N=N1	REAL250004575882	1	30	-1.0	-56.66	267.59	4.70	-51.96
CN(C(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004575883	0	28	-1.0	-48.41	261.48	1.55	-46.86
CN(C(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004575883	1	28	-1.0	-48.51	261.34	1.56	-46.95
CC1=CC=C(C2=NN(C)C=C2C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004575884	0	33	-1.0	-57.95	289.29	5.54	-52.41
CC1=CC=C(C2=NN(C)C=C2C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004575884	1	33	-1.0	-57.91	289.42	5.54	-52.37
CN(C(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=N[N-]N=N1	REAL250004575885	0	42	-1.0	-50.85	292.75	9.18	-41.67
CN(C(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=NN=N[N-]1	REAL250004575885	1	42	-1.0	-50.98	292.62	9.20	-41.78
CN(C(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004575886	0	30	-1.0	-47.72	258.80	7.02	-40.70
CN(C(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004575886	1	30	-1.0	-47.77	258.67	7.05	-40.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004575887	0	36	-1.0	-48.38	295.38	8.49	-39.89
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004575887	1	36	-1.0	-48.41	295.25	8.51	-39.90
CN(C(=O)C1=C(C(F)(F)F)SC=C1)C1=N[N-]N=N1	REAL250004575888	0	23	-1.0	-50.99	230.02	5.04	-45.95
CN(C(=O)C1=C(C(F)(F)F)SC=C1)C1=NN=N[N-]1	REAL250004575888	1	23	-1.0	-51.08	229.88	5.03	-46.05
CC1=NN(C2CCOCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575889	0	37	-1.0	-44.38	296.33	4.37	-40.01
CC1=NN(C2CCOCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575889	1	37	-1.0	-44.46	296.20	4.40	-40.06
CN(C(=O)C1=C(Cl)N(C)N=C1Cl)C1=NN=N[N-]1	REAL250004575890	0	23	-1.0	-44.91	245.35	3.74	-41.17
CN(C(=O)C1=C(Cl)N(C)N=C1Cl)C1=N[N-]N=N1	REAL250004575890	1	23	-1.0	-44.87	245.49	3.72	-41.15
CN(C(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575891	0	39	-1.0	-49.08	306.03	9.13	-39.95
CN(C(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575891	1	39	-1.0	-49.15	305.90	9.13	-40.02
CN(C(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575892	0	36	-1.0	-47.12	302.43	7.38	-39.74
CN(C(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575892	1	36	-1.0	-47.03	302.57	7.36	-39.67
CN(C(=O)C1(C2CCCC2)CCNC1=O)C1=N[N-]N=N1	REAL250004575893	0	37	-1.0	-49.59	270.42	3.55	-46.04
CN(C(=O)C1(C2CCCC2)CCNC1=O)C1=NN=N[N-]1	REAL250004575893	1	37	-1.0	-49.63	270.29	3.57	-46.06
CCOC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575894	0	34	-1.0	-49.97	290.26	6.69	-43.28
CCOC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575894	1	34	-1.0	-50.00	290.11	6.71	-43.29
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575895	0	31	-1.0	-49.08	268.19	5.78	-43.30
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575895	1	31	-1.0	-49.02	268.33	5.78	-43.24
CN(C(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004575896	0	26	-1.0	-47.77	252.46	6.53	-41.24
CN(C(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004575896	1	26	-1.0	-47.84	252.33	6.56	-41.28
CN(C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL250004575897	0	36	-1.0	-50.04	286.52	7.83	-42.21
CN(C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL250004575897	1	36	-1.0	-49.96	286.66	7.81	-42.15
CN(C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004575898	0	30	-1.0	-47.23	282.32	6.17	-41.06
CN(C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004575898	1	30	-1.0	-47.32	282.18	6.20	-41.12
CN(C(=O)C1=CSC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575899	0	23	-1.0	-52.41	224.88	4.97	-47.44
CN(C(=O)C1=CSC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575899	1	23	-1.0	-52.48	224.73	4.99	-47.49
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004575900	0	35	-1.0	-47.39	301.94	8.25	-39.14
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004575900	1	35	-1.0	-47.47	301.79	8.28	-39.19
CCOCCOCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004575901	0	36	-1.0	-52.60	302.36	4.02	-48.58
CCOCCOCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004575901	1	36	-1.0	-52.69	302.23	4.05	-48.64
COC1=CC=CC(C(OC)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575902	0	34	-1.0	-48.88	281.97	4.93	-43.95
COC1=CC=CC(C(OC)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575902	1	34	-1.0	-48.96	281.83	4.95	-44.01
COCCOCCOCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004575903	0	40	-1.0	-54.08	335.99	3.38	-50.70
COCCOCCOCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004575903	1	40	-1.0	-54.17	335.85	3.41	-50.76
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)O1	REAL250004575904	0	27	-1.0	-44.86	245.82	4.99	-39.87
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)O1	REAL250004575904	1	27	-1.0	-44.93	245.68	5.00	-39.93
CN(C(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL250004575905	0	35	-1.0	-62.57	280.40	4.16	-58.41
CN(C(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL250004575905	1	35	-1.0	-62.46	280.54	4.15	-58.31
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004575906	0	29	-1.0	-50.68	254.24	3.47	-47.21
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004575906	1	29	-1.0	-50.61	254.38	3.48	-47.13
CN(C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL250004575907	0	32	-1.0	-59.10	281.83	8.01	-51.09
CN(C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL250004575907	1	32	-1.0	-58.98	281.97	8.01	-50.97
CN(C(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL250004575908	0	26	-1.0	-47.29	235.90	6.46	-40.83
CN(C(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL250004575908	1	26	-1.0	-47.18	236.05	6.45	-40.73
CN(C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004575909	0	33	-1.0	-51.03	273.55	7.24	-43.79
CN(C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004575909	1	33	-1.0	-51.11	273.42	7.27	-43.84
CN(C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=N[N-]N=N1	REAL250004575910	0	33	-1.0	-50.55	288.38	6.02	-44.53
CN(C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=NN=N[N-]1	REAL250004575910	1	33	-1.0	-50.63	288.23	6.04	-44.59
CN(C(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL250004575911	0	25	-1.0	-46.55	234.80	4.42	-42.13
CN(C(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL250004575911	1	25	-1.0	-46.49	234.94	4.40	-42.09
CN(C(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL250004575912	0	22	-1.0	-47.33	219.78	4.29	-43.04
CN(C(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL250004575912	1	22	-1.0	-47.44	219.65	4.31	-43.13
CN(C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL250004575913	0	25	-1.0	-43.87	245.08	4.48	-39.39
CN(C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL250004575913	1	25	-1.0	-43.77	245.22	4.46	-39.31
CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL250004575914	0	34	-1.0	-49.64	274.16	5.22	-44.42
CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL250004575914	1	34	-1.0	-49.70	274.02	5.24	-44.46
CN(C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004575915	0	37	-1.0	-53.92	305.00	7.88	-46.04
CN(C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004575915	1	37	-1.0	-53.97	304.87	7.92	-46.05
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004575916	0	27	-1.0	-50.02	246.36	3.74	-46.28
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004575916	1	27	-1.0	-49.92	246.51	3.71	-46.21
CN(C(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL250004575917	0	30	-1.0	-50.37	256.79	6.68	-43.69
CN(C(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL250004575917	1	30	-1.0	-50.30	256.94	6.69	-43.61
CN(C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL250004575918	0	35	-1.0	-50.51	289.91	7.09	-43.42
CN(C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL250004575918	1	35	-1.0	-50.44	290.05	7.07	-43.37
CN(C(=O)C1(C2CCCCO2)CCC1)C1=N[N-]N=N1	REAL250004575919	0	37	-1.0	-45.74	277.08	5.67	-40.07
CN(C(=O)C1(C2CCCCO2)CCC1)C1=NN=N[N-]1	REAL250004575919	1	37	-1.0	-45.78	276.95	5.69	-40.09
CC1CCN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C1	REAL250004575920	0	33	-1.0	-50.87	270.22	6.67	-44.20
CC1CCN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C1	REAL250004575920	1	33	-1.0	-50.75	270.41	6.66	-44.09
COC1=CC=C(F)C(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575921	0	31	-1.0	-52.63	277.09	3.98	-48.65
COC1=CC=C(F)C(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575921	1	31	-1.0	-52.58	277.23	3.97	-48.61
COC1=CC=NC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575922	0	30	-1.0	-55.16	265.33	1.25	-53.91
COC1=CC=NC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575922	1	30	-1.0	-55.08	265.47	1.22	-53.86
COC(=O)C1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575923	0	29	-1.0	-42.46	257.18	3.27	-39.19
COC(=O)C1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575923	1	29	-1.0	-42.42	257.32	3.26	-39.16
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C2=N[N-]N=N2)C[C@H]1C	REAL250004575924	0	33	-1.0	-53.44	278.89	5.28	-48.16
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C2=NN=N[N-]2)C[C@H]1C	REAL250004575924	1	33	-1.0	-53.49	278.75	5.30	-48.19
CN(C(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004575925	0	24	-1.0	-45.69	246.13	6.19	-39.50
CN(C(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004575925	1	24	-1.0	-45.79	245.98	6.20	-39.59
CN(C(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004575926	0	34	-1.0	-49.22	280.24	4.24	-44.98
CN(C(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004575926	1	34	-1.0	-49.17	280.38	4.22	-44.95
CN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL250004575927	0	36	-1.0	-45.66	278.21	5.74	-39.92
CN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL250004575927	1	36	-1.0	-45.83	278.07	5.76	-40.07
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL250004575928	0	33	-1.0	-46.06	285.17	7.60	-38.46
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL250004575928	1	33	-1.0	-46.01	285.32	7.57	-38.44
CN(C(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575929	0	31	-1.0	-56.40	260.54	3.33	-53.07
CN(C(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575929	1	31	-1.0	-56.35	260.68	3.31	-53.04
CN(C(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004575930	0	32	-1.0	-47.12	260.82	6.38	-40.74
CN(C(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004575930	1	32	-1.0	-47.23	260.68	6.39	-40.84
CC1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004575931	0	29	-1.0	-57.33	269.55	4.92	-52.41
CC1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004575931	1	29	-1.0	-57.22	269.69	4.89	-52.33
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575932	0	33	-1.0	-48.20	278.37	7.95	-40.25
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575932	1	33	-1.0	-48.26	278.24	7.97	-40.29
CC1=NC=C(C=CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575933	0	26	-1.0	-47.89	246.15	4.46	-43.43
CC1=NC=C(C=CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575933	1	26	-1.0	-47.97	246.00	4.47	-43.50
CN(C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL250004575934	0	33	-1.0	-53.34	275.32	4.28	-49.06
CN(C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL250004575934	1	33	-1.0	-53.30	275.47	4.26	-49.04
CN(C(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL250004575935	0	29	-1.0	-51.82	261.53	1.05	-50.77
CN(C(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL250004575935	1	29	-1.0	-51.73	261.67	1.02	-50.71
CN(C(=O)CC1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004575936	0	31	-1.0	-51.22	267.53	6.36	-44.86
CN(C(=O)CC1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004575936	1	31	-1.0	-51.14	267.66	6.32	-44.82
CC1=NOC(C2(C(=O)N(C)C3=N[N-]N=N3)CCOCC2)=C1	REAL250004575937	0	36	-1.0	-42.51	282.29	4.04	-38.47
CC1=NOC(C2(C(=O)N(C)C3=NN=N[N-]3)CCOCC2)=C1	REAL250004575937	1	36	-1.0	-42.64	282.15	4.06	-38.58
CN(C(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004575938	0	35	-1.0	-50.90	291.23	7.15	-43.75
CN(C(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004575938	1	35	-1.0	-50.74	291.41	7.14	-43.60
CN(C(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004575939	0	35	-1.0	-47.59	271.92	5.47	-42.12
CN(C(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004575939	1	35	-1.0	-47.55	272.06	5.46	-42.09
CN(C(=O)CC1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004575940	0	31	-1.0	-50.14	270.87	6.44	-43.70
CN(C(=O)CC1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004575940	1	31	-1.0	-50.20	270.73	6.48	-43.72
CN(C(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=N[N-]N=N1	REAL250004575941	0	37	-1.0	-49.54	295.23	7.93	-41.61
CN(C(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NN=N[N-]1	REAL250004575941	1	37	-1.0	-49.63	295.10	7.95	-41.68
CN(C(=O)COCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004575942	0	31	-1.0	-53.50	285.20	6.74	-46.76
CN(C(=O)COCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004575942	1	31	-1.0	-53.59	285.07	6.76	-46.83
COC1=CC(COCC(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004575943	0	33	-1.0	-54.65	291.43	3.06	-51.59
COC1=CC(COCC(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004575943	1	33	-1.0	-54.72	291.30	3.08	-51.64
COC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004575944	0	33	-1.0	-54.42	291.25	3.06	-51.36
COC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004575944	1	33	-1.0	-54.33	291.39	3.03	-51.30
CN(C(=O)COCC1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004575945	0	30	-1.0	-70.09	266.90	3.35	-66.74
CN(C(=O)COCC1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004575945	1	30	-1.0	-70.18	266.76	3.38	-66.80
CN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004575946	0	30	-1.0	-47.66	254.70	5.97	-41.69
CN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004575946	1	30	-1.0	-47.79	254.57	6.00	-41.79
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1F	REAL250004575947	0	26	-1.0	-53.38	232.62	5.66	-47.72
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1F	REAL250004575947	1	26	-1.0	-53.32	232.76	5.67	-47.65
CN(C(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004575948	0	26	-1.0	-46.51	263.33	6.97	-39.54
CN(C(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004575948	1	26	-1.0	-46.57	263.19	7.01	-39.56
CSC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004575949	0	28	-1.0	-47.37	271.69	6.76	-40.61
CSC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004575949	1	28	-1.0	-47.45	271.54	6.78	-40.67
CC(=O)N[C@H](CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575950	0	35	-1.0	-35.65	266.98	3.32	-32.33
CC(=O)N[C@H](CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575950	1	35	-1.0	-35.71	266.82	3.33	-32.38
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004575951	0	29	-1.0	-50.87	253.96	7.04	-43.83
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004575951	1	29	-1.0	-50.80	254.11	7.02	-43.78
CN(C(=O)C1=CN=CC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL250004575952	0	33	-1.0	-44.48	269.93	3.67	-40.81
CN(C(=O)C1=CN=CC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL250004575952	1	33	-1.0	-44.45	270.07	3.66	-40.79
CN(C(=O)C1=CC2=NC=CC=C2S1)C1=NN=N[N-]1	REAL250004575953	0	25	-1.0	-49.07	234.11	4.36	-44.71
CN(C(=O)C1=CC2=NC=CC=C2S1)C1=N[N-]N=N1	REAL250004575953	1	25	-1.0	-49.00	234.25	4.36	-44.64
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004575954	0	23	-1.0	-45.92	239.11	5.97	-39.95
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004575954	1	23	-1.0	-45.96	238.97	5.97	-39.99
CN(C(=O)C1=CC=NN1CC1CCC1)C1=NN=N[N-]1	REAL250004575955	0	33	-1.0	-45.18	270.31	5.65	-39.53
CN(C(=O)C1=CC=NN1CC1CCC1)C1=N[N-]N=N1	REAL250004575955	1	33	-1.0	-45.07	270.45	5.64	-39.43
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=C1	REAL250004575956	0	30	-1.0	-46.59	268.50	5.54	-41.05
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=C1	REAL250004575956	1	30	-1.0	-46.55	268.65	5.53	-41.02
CN(C(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004575957	0	32	-1.0	-48.04	266.76	3.05	-44.99
CN(C(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004575957	1	32	-1.0	-48.00	266.89	3.01	-44.99
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL250004575958	0	36	-1.0	-51.17	300.58	6.68	-44.49
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL250004575958	1	36	-1.0	-51.08	300.72	6.68	-44.40
CN(C(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004575959	0	34	-1.0	-41.68	293.94	6.20	-35.48
CN(C(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004575959	1	34	-1.0	-41.63	294.07	6.19	-35.44
CN(C(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004575960	0	33	-1.0	-48.97	286.91	8.65	-40.32
CN(C(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004575960	1	33	-1.0	-48.88	287.06	8.65	-40.23
CN(C(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL250004575961	0	32	-1.0	-49.17	271.06	3.93	-45.24
CN(C(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL250004575961	1	32	-1.0	-49.04	271.20	3.94	-45.10
CN(C(=O)C1=CC=CC(C(F)F)=C1F)C1=N[N-]N=N1	REAL250004575962	0	26	-1.0	-59.62	243.10	5.95	-53.67
CN(C(=O)C1=CC=CC(C(F)F)=C1F)C1=NN=N[N-]1	REAL250004575962	1	26	-1.0	-59.67	242.95	5.95	-53.72
CN(C(=O)C1CC1(C)Br)C1=N[N-]N=N1	REAL250004575963	0	23	-1.0	-43.26	217.33	5.03	-38.23
CN(C(=O)C1CC1(C)Br)C1=NN=N[N-]1	REAL250004575963	1	23	-1.0	-43.32	217.19	5.05	-38.27
CN(C(=O)C1=CN(CC2CCOC2)N=N1)C1=NN=N[N-]1	REAL250004575964	0	33	-1.0	-48.86	281.06	2.89	-45.97
CN(C(=O)C1=CN(CC2CCOC2)N=N1)C1=N[N-]N=N1	REAL250004575964	1	33	-1.0	-48.84	281.21	2.87	-45.97
CN(C(=O)CCC1=NN=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004575965	0	27	-1.0	-48.80	256.44	-0.02	-48.82
CN(C(=O)CCC1=NN=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004575965	1	27	-1.0	-48.86	256.30	0.00	-48.86
CN(C(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004575966	0	40	-1.0	-50.06	312.15	8.94	-41.12
CN(C(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004575966	1	40	-1.0	-50.12	312.03	8.95	-41.17
CN(C(=O)C(C)(C)C1CCCCO1)C1=N[N-]N=N1	REAL250004575967	0	36	-1.0	-33.92	262.87	5.32	-28.60
CN(C(=O)C(C)(C)C1CCCCO1)C1=NN=N[N-]1	REAL250004575967	1	36	-1.0	-33.97	262.75	5.33	-28.64
CC(=CC1CCC(C)CC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575968	0	39	-1.0	-46.26	307.18	7.99	-38.27
CC(=CC1CCC(C)CC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575968	1	39	-1.0	-46.33	307.04	8.01	-38.32
CN(C(=O)C1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004575969	0	29	-1.0	-52.80	253.77	5.59	-47.21
CN(C(=O)C1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004575969	1	29	-1.0	-52.73	253.92	5.56	-47.17
CN(C(=O)C1CCC1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004575970	0	33	-1.0	-54.20	269.20	7.38	-46.82
CN(C(=O)C1CCC1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004575970	1	33	-1.0	-54.30	269.07	7.40	-46.90
CN(C(=O)CN1CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004575971	0	28	-1.0	-54.90	252.53	2.86	-52.04
CN(C(=O)CN1CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004575971	1	28	-1.0	-54.98	252.39	2.89	-52.09
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004575972	0	41	-1.0	-45.10	292.79	7.93	-37.17
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004575972	1	41	-1.0	-45.12	292.65	7.94	-37.18
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575973	0	38	-1.0	-44.73	301.84	6.67	-38.06
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575973	1	38	-1.0	-44.75	301.73	6.69	-38.06
CSCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004575974	0	35	-1.0	-47.87	300.58	7.33	-40.54
CSCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004575974	1	35	-1.0	-47.91	300.45	7.37	-40.54
CCC1=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004575975	0	35	-1.0	-51.79	296.36	7.84	-43.95
CCC1=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004575975	1	35	-1.0	-51.68	296.50	7.81	-43.87
CN(C(=O)C=CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004575976	0	28	-1.0	-47.96	264.40	7.04	-40.92
CN(C(=O)C=CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004575976	1	28	-1.0	-48.04	264.25	7.06	-40.98
CC1=CN(C2CCOCC2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004575977	0	37	-1.0	-49.39	298.64	4.92	-44.47
CC1=CN(C2CCOCC2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004575977	1	37	-1.0	-49.29	298.79	4.91	-44.38
CN(C(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL250004575978	0	35	-1.0	-47.71	293.34	7.53	-40.18
CN(C(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL250004575978	1	35	-1.0	-47.66	293.48	7.50	-40.16
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004575979	0	29	-1.0	-47.98	257.46	6.44	-41.54
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004575979	1	29	-1.0	-48.05	257.33	6.43	-41.62
CCOC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575980	0	36	-1.0	-47.83	302.63	7.00	-40.83
CCOC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575980	1	36	-1.0	-47.91	302.49	7.03	-40.88
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004575981	0	42	-1.0	-44.16	324.94	5.98	-38.18
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004575981	1	42	-1.0	-44.21	324.80	6.00	-38.21
CN(C(=O)CC1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL250004575982	0	33	-1.0	-52.30	273.62	5.35	-46.95
CN(C(=O)CC1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL250004575982	1	33	-1.0	-52.37	273.48	5.39	-46.98
CC1=CN2C=C(CC(=O)N(C)C3=N[N-]N=N3)N=C2S1	REAL250004575983	0	29	-1.0	-60.58	268.32	6.61	-53.97
CC1=CN2C=C(CC(=O)N(C)C3=NN=N[N-]3)N=C2S1	REAL250004575983	1	29	-1.0	-60.69	268.19	6.64	-54.05
COC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004575984	0	27	-1.0	-48.43	260.63	4.89	-43.54
COC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004575984	1	27	-1.0	-48.51	260.49	4.91	-43.60
CN(C(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004575985	0	29	-1.0	-53.51	271.15	6.33	-47.18
CN(C(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004575985	1	29	-1.0	-53.44	271.30	6.33	-47.11
CN(C(=O)C1(C)COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004575986	0	32	-1.0	-49.08	263.56	5.72	-43.36
CN(C(=O)C1(C)COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004575986	1	32	-1.0	-49.17	263.43	5.73	-43.44
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004575987	0	33	-1.0	-50.32	288.56	6.81	-43.51
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004575987	1	33	-1.0	-50.20	288.70	6.82	-43.38
CN(C(=O)CC1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004575988	0	31	-1.0	-54.58	264.79	6.11	-48.47
CN(C(=O)CC1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004575988	1	31	-1.0	-54.65	264.65	6.12	-48.53
CC(C)CC1(C(=O)N(C)C2=N[N-]N=N2)CCNC1=O	REAL250004575989	0	36	-1.0	-54.90	272.79	2.64	-52.26
CC(C)CC1(C(=O)N(C)C2=NN=N[N-]2)CCNC1=O	REAL250004575989	1	36	-1.0	-55.01	272.65	2.64	-52.37
CC1=CC(C)=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004575990	0	36	-1.0	-48.24	294.67	8.20	-40.04
CC1=CC(C)=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004575990	1	36	-1.0	-48.14	294.82	8.19	-39.95
CN(C(=O)C1(C)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004575991	0	32	-1.0	-30.01	242.07	5.22	-24.79
CN(C(=O)C1(C)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004575991	1	32	-1.0	-30.05	241.93	5.25	-24.80
CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004575992	0	32	-1.0	-48.70	252.67	6.01	-42.69
CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004575992	1	32	-1.0	-48.82	252.53	6.02	-42.80
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004575993	0	30	-1.0	-48.85	273.74	7.68	-41.17
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004575993	1	30	-1.0	-48.97	273.60	7.71	-41.26
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004575994	0	29	-1.0	-32.99	264.52	4.86	-28.13
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004575994	1	29	-1.0	-32.95	264.66	4.85	-28.10
CC1=CC=CC(COC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575995	0	36	-1.0	-51.77	301.99	7.53	-44.24
CC1=CC=CC(COC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575995	1	36	-1.0	-51.84	301.86	7.55	-44.29
CN(C(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004575996	0	30	-1.0	-52.94	272.46	7.29	-45.65
CN(C(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004575996	1	30	-1.0	-53.05	272.31	7.30	-45.75
CN(C(=O)C=CC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004575997	0	31	-1.0	-51.91	270.10	6.51	-45.40
CN(C(=O)C=CC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004575997	1	31	-1.0	-51.79	270.25	6.51	-45.28
COC(=O)C1=COC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004575998	0	30	-1.0	-51.41	278.28	5.36	-46.05
COC(=O)C1=COC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004575998	1	30	-1.0	-51.48	278.13	5.37	-46.11
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=N[N-]N=N1	REAL250004575999	0	36	-1.0	-47.65	290.48	8.14	-39.51
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NN=N[N-]1	REAL250004575999	1	36	-1.0	-47.74	290.34	8.17	-39.57
COC1=CC(C)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576000	0	33	-1.0	-48.24	271.61	5.65	-42.59
COC1=CC(C)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576000	1	33	-1.0	-48.14	271.75	5.65	-42.49
CN(C(=O)CC1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004576001	0	33	-1.0	-49.19	276.95	7.94	-41.25
CN(C(=O)CC1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004576001	1	33	-1.0	-49.27	276.82	7.96	-41.31
CN(C(=O)CC1=COC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL250004576002	0	29	-1.0	-49.63	274.42	6.84	-42.79
CN(C(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL250004576002	1	29	-1.0	-49.69	274.28	6.88	-42.81
CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004576003	0	28	-1.0	-48.97	236.99	3.39	-45.58
CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004576003	1	28	-1.0	-49.10	236.85	3.41	-45.69
CN(C(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004576004	0	35	-1.0	-46.14	299.30	8.92	-37.22
CN(C(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004576004	1	35	-1.0	-46.22	299.16	8.96	-37.26
CCOC(=O)C1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004576005	0	39	-1.0	-54.69	306.52	5.48	-49.21
CCOC(=O)C1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004576005	1	39	-1.0	-54.77	306.38	5.49	-49.28
CN(C(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=N[N-]N=N1	REAL250004576006	0	31	-1.0	-44.61	280.68	8.32	-36.29
CN(C(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NN=N[N-]1	REAL250004576006	1	31	-1.0	-44.71	280.54	8.34	-36.37
CN(C(=O)C1CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004576007	0	27	-1.0	-46.00	250.23	6.97	-39.03
CN(C(=O)C1CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004576007	1	27	-1.0	-46.11	250.09	6.99	-39.12
CN(C(=O)C1=CC=C(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004576008	0	37	-1.0	-47.91	294.28	6.28	-41.63
CN(C(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004576008	1	37	-1.0	-47.96	294.13	6.28	-41.68
CN(C(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NN=N[N-]1	REAL250004576009	0	32	-1.0	-47.21	271.05	1.32	-45.89
CN(C(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=N[N-]N=N1	REAL250004576009	1	32	-1.0	-47.15	271.19	1.33	-45.82
CN(C(=O)CCC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004576010	0	32	-1.0	-46.85	283.45	7.65	-39.20
CN(C(=O)CCC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004576010	1	32	-1.0	-46.87	283.31	7.68	-39.19
CN(C(=O)C1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004576011	0	25	-1.0	-49.48	232.02	3.98	-45.50
CN(C(=O)C1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004576011	1	25	-1.0	-49.43	232.16	3.98	-45.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004576012	0	33	-1.0	-44.68	282.65	3.41	-41.27
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004576012	1	33	-1.0	-44.80	282.51	3.43	-41.37
CN(C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL250004576013	0	33	-1.0	-65.16	282.81	3.23	-61.93
CN(C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL250004576013	1	33	-1.0	-65.21	282.67	3.22	-61.99
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004576014	0	30	-1.0	-48.38	261.68	6.61	-41.77
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004576014	1	30	-1.0	-48.45	261.55	6.63	-41.82
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCOC1	REAL250004576015	0	34	-1.0	-50.48	270.28	3.81	-46.67
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCOC1	REAL250004576015	1	34	-1.0	-50.52	270.15	3.84	-46.68
COC1=CC=CC(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576016	0	36	-1.0	-47.87	282.23	5.93	-41.94
COC1=CC=CC(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576016	1	36	-1.0	-47.94	282.10	5.94	-42.00
CCOC1COCCC1CC(=O)N(C)C1=N[N-]N=N1	REAL250004576017	0	37	-1.0	-46.59	293.16	4.23	-42.36
CCOC1COCCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004576017	1	37	-1.0	-46.66	293.02	4.25	-42.41
CN(C(=O)C=CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004576018	0	26	-1.0	-47.66	250.67	5.13	-42.53
CN(C(=O)C=CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004576018	1	26	-1.0	-47.74	250.52	5.13	-42.61
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004576019	0	30	-1.0	-47.02	279.82	5.52	-41.50
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004576019	1	30	-1.0	-47.09	279.68	5.52	-41.57
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL250004576020	0	33	-1.0	-51.86	283.02	6.22	-45.64
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL250004576020	1	33	-1.0	-51.77	283.16	6.23	-45.54
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=C1	REAL250004576021	0	29	-1.0	-48.31	262.75	4.56	-43.75
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=C1	REAL250004576021	1	29	-1.0	-48.37	262.62	4.58	-43.79
CN(C(=O)CC1=CN2C=C(F)C=CC2=N1)C1=N[N-]N=N1	REAL250004576022	0	29	-1.0	-56.69	262.39	6.65	-50.04
CN(C(=O)CC1=CN2C=C(F)C=CC2=N1)C1=NN=N[N-]1	REAL250004576022	1	29	-1.0	-56.78	262.25	6.68	-50.10
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576023	0	35	-1.0	-54.74	288.60	6.32	-48.42
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576023	1	35	-1.0	-54.84	288.45	6.35	-48.49
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004576024	0	32	-1.0	-48.33	273.60	6.10	-42.23
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004576024	1	32	-1.0	-48.25	273.74	6.10	-42.15
COC1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004576025	0	26	-1.0	-50.91	233.27	3.59	-47.32
COC1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004576025	1	26	-1.0	-50.84	233.42	3.56	-47.28
CN(C(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL250004576026	0	35	-1.0	-63.08	285.29	5.71	-57.37
CN(C(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL250004576026	1	35	-1.0	-63.00	285.41	5.70	-57.30
CC1=CSC2=NC(CC(=O)N(C)C3=N[N-]N=N3)=CN12	REAL250004576027	0	29	-1.0	-60.62	267.73	6.35	-54.27
CC1=CSC2=NC(CC(=O)N(C)C3=NN=N[N-]3)=CN12	REAL250004576027	1	29	-1.0	-60.66	267.59	6.38	-54.28
CN(C(=O)CN1C=NC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576028	0	33	-1.0	-51.88	281.47	7.98	-43.90
CN(C(=O)CN1C=NC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576028	1	33	-1.0	-51.95	281.33	8.01	-43.94
CN(C(=O)C1=CC=CN(C2CC2)C1=O)C1=NN=N[N-]1	REAL250004576029	0	30	-1.0	-66.74	262.03	5.34	-61.40
CN(C(=O)C1=CC=CN(C2CC2)C1=O)C1=N[N-]N=N1	REAL250004576029	1	30	-1.0	-66.69	262.18	5.33	-61.36
CN(C(=O)CN1CCCCC(=O)C1=O)C1=N[N-]N=N1	REAL250004576030	0	32	-1.0	-61.35	271.66	4.11	-57.24
CN(C(=O)CN1CCCCC(=O)C1=O)C1=NN=N[N-]1	REAL250004576030	1	32	-1.0	-61.43	271.53	4.13	-57.30
CN(C(=O)C1CC2CCCCC(C1)C2=O)C1=N[N-]N=N1	REAL250004576031	0	38	-1.0	-46.15	276.07	6.39	-39.76
CN(C(=O)C1CC2CCCCC(C1)C2=O)C1=NN=N[N-]1	REAL250004576031	1	38	-1.0	-46.21	275.94	6.41	-39.80
CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004576032	0	34	-1.0	-58.95	286.05	1.96	-56.99
CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004576032	1	34	-1.0	-59.01	285.92	2.00	-57.01
CCOC1CC2(CC2C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576033	0	34	-1.0	-51.32	280.75	5.60	-45.72
CCOC1CC2(CC2C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576033	1	34	-1.0	-51.38	280.62	5.63	-45.75
CN(C(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004576034	0	24	-1.0	-41.96	234.28	5.04	-36.92
CN(C(=O)C1=CC(C(F)(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004576034	1	24	-1.0	-41.92	234.42	5.04	-36.88
CCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576035	0	29	-1.0	-45.96	256.94	6.19	-39.77
CCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576035	1	29	-1.0	-45.86	257.09	6.18	-39.68
CN(C(=O)CCCOC1CCOCC1)C1=N[N-]N=N1	REAL250004576036	0	37	-1.0	-51.33	299.98	4.08	-47.25
CN(C(=O)CCCOC1CCOCC1)C1=NN=N[N-]1	REAL250004576036	1	37	-1.0	-51.41	299.84	4.10	-47.31
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004576037	0	33	-1.0	-50.76	280.48	5.75	-45.01
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004576037	1	33	-1.0	-50.66	280.62	5.73	-44.93
CC1=CC2=C(SC=C2CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576038	0	29	-1.0	-48.95	279.36	7.20	-41.75
CC1=CC2=C(SC=C2CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576038	1	29	-1.0	-49.02	279.22	7.24	-41.78
COC(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004576039	0	35	-1.0	-49.05	286.07	5.44	-43.61
COC(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004576039	1	35	-1.0	-49.12	285.94	5.46	-43.66
CN(C(=O)CCC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576040	0	35	-1.0	-47.33	293.75	8.89	-38.44
CN(C(=O)CCC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576040	1	35	-1.0	-47.42	293.62	8.93	-38.49
CC(CCC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576041	0	35	-1.0	-49.61	290.43	7.86	-41.75
CC(CCC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576041	1	35	-1.0	-49.68	290.29	7.88	-41.80
CN(C(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004576042	0	35	-1.0	-45.46	281.65	7.60	-37.86
CN(C(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004576042	1	35	-1.0	-45.56	281.52	7.62	-37.94
CN(C(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=NN=N[N-]1	REAL250004576043	0	25	-1.0	-46.34	250.21	4.89	-41.45
CN(C(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=N[N-]N=N1	REAL250004576043	1	25	-1.0	-46.27	250.35	4.87	-41.40
COCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004576044	0	30	-1.0	-46.07	260.89	4.85	-41.22
COCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004576044	1	30	-1.0	-46.01	261.03	4.86	-41.15
CCN1N=CN=C1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576045	0	35	-1.0	-47.88	291.54	7.39	-40.49
CCN1N=CN=C1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576045	1	35	-1.0	-47.78	291.68	7.40	-40.38
CN(C(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=NN=N[N-]1	REAL250004576046	0	25	-1.0	-43.82	250.59	4.88	-38.94
CN(C(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=N[N-]N=N1	REAL250004576046	1	25	-1.0	-43.75	250.73	4.87	-38.88
CN(C(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL250004576047	0	30	-1.0	-47.02	261.01	7.04	-39.98
CN(C(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL250004576047	1	30	-1.0	-46.95	261.15	7.02	-39.93
CN(C(=O)C1CCC12CCOCC2)C1=N[N-]N=N1	REAL250004576048	0	34	-1.0	-50.63	261.32	4.49	-46.14
CN(C(=O)C1CCC12CCOCC2)C1=NN=N[N-]1	REAL250004576048	1	34	-1.0	-50.73	261.19	4.52	-46.21
CN(C(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004576049	0	33	-1.0	-53.95	289.06	5.30	-48.65
CN(C(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004576049	1	33	-1.0	-53.91	289.20	5.30	-48.61
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCOCC1	REAL250004576050	0	37	-1.0	-50.94	289.66	4.60	-46.34
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCOCC1	REAL250004576050	1	37	-1.0	-50.98	289.52	4.62	-46.36
CN(C(=O)C1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004576051	0	28	-1.0	-49.93	244.26	5.29	-44.64
CN(C(=O)C1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004576051	1	28	-1.0	-49.84	244.40	5.30	-44.54
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004576052	0	36	-1.0	-47.20	274.17	6.05	-41.15
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004576052	1	36	-1.0	-47.29	274.04	6.06	-41.23
CN(C(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL250004576053	0	34	-1.0	-47.63	280.34	6.14	-41.49
CN(C(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL250004576053	1	34	-1.0	-47.60	280.48	6.15	-41.45
CN(C(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004576054	0	25	-1.0	-64.01	240.15	6.08	-57.93
CN(C(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004576054	1	25	-1.0	-63.90	240.30	6.05	-57.85
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576055	0	31	-1.0	-52.10	280.34	4.83	-47.27
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576055	1	31	-1.0	-52.01	280.47	4.79	-47.22
CN(C(=O)C1CCCN(CC(F)F)C1)C1=N[N-]N=N1	REAL250004576057	0	34	-1.0	-46.45	271.45	3.84	-42.61
CN(C(=O)C1CCCN(CC(F)F)C1)C1=NN=N[N-]1	REAL250004576057	1	34	-1.0	-46.53	271.31	3.87	-42.66
CN(C(=O)C1=C(C(F)F)N=CS1)C1=N[N-]N=N1	REAL250004576058	0	22	-1.0	-48.61	224.96	3.15	-45.46
CN(C(=O)C1=C(C(F)F)N=CS1)C1=NN=N[N-]1	REAL250004576058	1	22	-1.0	-48.69	224.81	3.16	-45.53
CN(C(=O)C1=NC(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL250004576059	0	31	-1.0	-49.68	267.92	4.50	-45.18
CN(C(=O)C1=NC(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL250004576059	1	31	-1.0	-49.62	268.07	4.46	-45.16
CN(C(=O)C1=CN=C(CC2CC2)S1)C1=N[N-]N=N1	REAL250004576060	0	29	-1.0	-45.05	262.05	5.07	-39.98
CN(C(=O)C1=CN=C(CC2CC2)S1)C1=NN=N[N-]1	REAL250004576060	1	29	-1.0	-45.16	261.91	5.09	-40.07
CSC1=NC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576061	0	25	-1.0	-50.11	232.49	3.63	-46.48
CSC1=NC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576061	1	25	-1.0	-50.05	232.63	3.61	-46.44
CC1=CC2=C(S1)C(CC(=O)N(C)C1=N[N-]N=N1)=CS2	REAL250004576062	0	29	-1.0	-49.16	278.63	7.19	-41.97
CC1=CC2=C(S1)C(CC(=O)N(C)C1=NN=N[N-]1)=CS2	REAL250004576062	1	29	-1.0	-49.20	278.49	7.22	-41.98
CN(C(=O)C1=C2CSCCC2=NN1C)C1=NN=N[N-]1	REAL250004576063	0	31	-1.0	-43.13	274.96	4.94	-38.19
CN(C(=O)C1=C2CSCCC2=NN1C)C1=N[N-]N=N1	REAL250004576063	1	31	-1.0	-43.07	275.10	4.94	-38.13
CN(C(=O)C1=CSC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004576064	0	34	-1.0	-46.16	287.28	5.43	-40.73
CN(C(=O)C1=CSC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004576064	1	34	-1.0	-46.15	287.42	5.41	-40.74
CN(C(=O)C1=CC=C(CN2CCOCC2)O1)C1=N[N-]N=N1	REAL250004576065	0	36	-1.0	-46.07	296.42	2.65	-43.42
CN(C(=O)C1=CC=C(CN2CCOCC2)O1)C1=NN=N[N-]1	REAL250004576065	1	36	-1.0	-46.17	296.27	2.66	-43.51
CN(C(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NN=N[N-]1	REAL250004576066	0	31	-1.0	-61.06	276.76	-0.05	-61.11
CN(C(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=N[N-]N=N1	REAL250004576066	1	31	-1.0	-60.99	276.90	-0.06	-61.05
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=N[N-]N=N1	REAL250004576067	0	33	-1.0	-46.21	271.47	7.25	-38.96
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=NN=N[N-]1	REAL250004576067	1	33	-1.0	-46.23	271.34	7.29	-38.94
CN(C(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004576068	0	39	-1.0	-48.25	306.87	7.18	-41.07
CN(C(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004576068	1	39	-1.0	-48.15	307.01	7.14	-41.01
CN(C(=O)C1=CSC(C2=NC=CN2)=N1)C1=NN=N[N-]1	REAL250004576069	0	26	-1.0	-54.11	251.13	3.49	-50.62
CN(C(=O)C1=CSC(C2=NC=CN2)=N1)C1=N[N-]N=N1	REAL250004576069	1	26	-1.0	-54.08	251.28	3.46	-50.62
CN(C(=O)C1=C(C2CC2)SC=N1)C1=NN=N[N-]1	REAL250004576070	0	26	-1.0	-50.14	236.60	5.24	-44.90
CN(C(=O)C1=C(C2CC2)SC=N1)C1=N[N-]N=N1	REAL250004576070	1	26	-1.0	-50.07	236.74	5.22	-44.85
CC1=CC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576071	0	29	-1.0	-47.78	261.13	6.47	-41.31
CC1=CC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576071	1	29	-1.0	-47.82	260.99	6.50	-41.32
CCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004576072	0	33	-1.0	-47.13	270.80	5.41	-41.72
CCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004576072	1	33	-1.0	-47.04	270.94	5.40	-41.64
CC1=CN=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576073	0	25	-1.0	-48.94	230.64	4.20	-44.74
CC1=CN=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576073	1	25	-1.0	-48.90	230.78	4.20	-44.70
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004576074	0	30	-1.0	-50.24	264.96	5.14	-45.10
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004576074	1	30	-1.0	-50.33	264.81	5.15	-45.18
CCC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NO2)C=C1	REAL250004576075	0	35	-1.0	-43.92	303.78	8.06	-35.86
CCC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NO2)C=C1	REAL250004576075	1	35	-1.0	-43.82	303.93	8.05	-35.77
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004576076	0	32	-1.0	-42.96	260.75	6.67	-36.29
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004576076	1	32	-1.0	-43.05	260.61	6.67	-36.38
COC(=O)C1=NN(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576077	0	29	-1.0	-59.05	265.98	4.06	-54.99
COC(=O)C1=NN(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576077	1	29	-1.0	-58.96	266.12	4.04	-54.92
COC(=O)C1=NN(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576078	0	35	-1.0	-60.57	309.58	5.47	-55.10
COC(=O)C1=NN(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576078	1	35	-1.0	-60.48	309.72	5.45	-55.03
CCCCC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576079	0	37	-1.0	-48.85	319.82	6.76	-42.09
CCCCC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576079	1	37	-1.0	-48.96	319.69	6.78	-42.18
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)SC(C2CCC2)=N1	REAL250004576080	0	35	-1.0	-49.17	303.99	6.61	-42.56
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)SC(C2CCC2)=N1	REAL250004576080	1	35	-1.0	-49.21	303.85	6.64	-42.57
CN(C(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL250004576081	0	34	-1.0	-54.78	286.29	4.38	-50.40
CN(C(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL250004576081	1	34	-1.0	-54.73	286.43	4.39	-50.34
CC1=NC(C(C)C)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576082	0	33	-1.0	-42.03	275.83	4.73	-37.30
CC1=NC(C(C)C)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576082	1	33	-1.0	-42.12	275.68	4.74	-37.38
CN(C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004576083	0	33	-1.0	-55.80	261.58	2.34	-53.46
CN(C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004576083	1	33	-1.0	-55.84	261.48	2.37	-53.47
CN(C(=O)C1CCC2=NN=CN2CC1)C1=N[N-]N=N1	REAL250004576084	0	32	-1.0	-36.73	254.44	6.49	-30.24
CN(C(=O)C1CCC2=NN=CN2CC1)C1=NN=N[N-]1	REAL250004576084	1	32	-1.0	-36.75	254.43	6.53	-30.22
C=CCCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004576085	0	39	-1.0	-47.41	317.33	8.89	-38.52
C=CCCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004576085	1	39	-1.0	-47.50	317.20	8.92	-38.58
CN(C(=O)C1(C)OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576086	0	34	-1.0	-47.31	269.04	5.92	-41.39
CN(C(=O)C1(C)OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576086	1	34	-1.0	-47.26	269.18	5.90	-41.36
CC(=O)N(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004576087	0	33	-1.0	-54.23	286.33	6.28	-47.95
CC(=O)N(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004576087	1	33	-1.0	-54.34	286.19	6.30	-48.04
CN(C(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004576088	0	31	-1.0	-62.03	272.43	5.55	-56.48
CN(C(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004576088	1	31	-1.0	-61.94	272.57	5.55	-56.39
CC1=CC=C(Cl)C=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004576089	0	30	-1.0	-48.40	275.59	7.09	-41.31
CC1=CC=C(Cl)C=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004576089	1	30	-1.0	-48.52	275.45	7.11	-41.41
CC1=CC(C(F)(F)F)=NC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576090	0	27	-1.0	-48.01	256.66	4.98	-43.03
CC1=CC(C(F)(F)F)=NC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576090	1	27	-1.0	-48.06	256.52	4.98	-43.08
CN(C(=O)CC1CCC(C)(C)CO1)C1=N[N-]N=N1	REAL250004576091	0	36	-1.0	-50.21	280.76	5.95	-44.26
CN(C(=O)CC1CCC(C)(C)CO1)C1=NN=N[N-]1	REAL250004576091	1	36	-1.0	-50.33	280.62	5.98	-44.35
CN(C(=O)C1=C(C(F)F)C=CS1)C1=N[N-]N=N1	REAL250004576092	0	23	-1.0	-53.04	220.10	4.76	-48.28
CN(C(=O)C1=C(C(F)F)C=CS1)C1=NN=N[N-]1	REAL250004576092	1	23	-1.0	-53.17	219.96	4.78	-48.39
CN(C(=O)CN1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL250004576093	0	31	-1.0	-62.84	267.36	1.62	-61.22
CN(C(=O)CN1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL250004576093	1	31	-1.0	-62.93	267.23	1.64	-61.29
CC1=CC2=CC=CC=C2N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576094	0	31	-1.0	-51.03	270.68	5.93	-45.10
CC1=CC2=CC=CC=C2N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576094	1	31	-1.0	-51.00	270.82	5.92	-45.08
CN(C(=O)C1CCOC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL250004576095	0	31	-1.0	-48.32	263.91	5.63	-42.69
CN(C(=O)C1CCOC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL250004576095	1	31	-1.0	-48.39	263.81	5.66	-42.73
CN(C(=O)C1CCC(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004576096	0	35	-1.0	-40.40	285.56	2.92	-37.48
CN(C(=O)C1CCC(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004576096	1	35	-1.0	-40.50	285.44	2.96	-37.54
CN(C(=O)CN1N=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004576097	0	28	-1.0	-56.75	253.31	4.73	-52.02
CN(C(=O)CN1N=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004576097	1	28	-1.0	-56.69	253.44	4.71	-51.98
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576098	0	33	-1.0	-50.24	263.79	4.31	-45.93
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576098	1	33	-1.0	-50.29	263.65	4.33	-45.96
CN(C(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=N[N-]N=N1	REAL250004576099	0	33	-1.0	-54.55	296.52	6.16	-48.39
CN(C(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NN=N[N-]1	REAL250004576099	1	33	-1.0	-54.61	296.38	6.19	-48.42
CCC(CC1=CC=CC(C)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576100	0	38	-1.0	-46.12	306.89	8.37	-37.75
CCC(CC1=CC=CC(C)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576100	1	38	-1.0	-46.17	306.76	8.39	-37.78
CN(C(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004576101	0	36	-1.0	-51.46	281.87	6.04	-45.42
CN(C(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004576101	1	36	-1.0	-51.38	282.01	6.04	-45.34
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576102	0	31	-1.0	-47.01	273.36	6.81	-40.20
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576102	1	31	-1.0	-46.96	273.51	6.81	-40.15
CO[C@]12CCC[C@@]1(C(=O)N(C)C1=N[N-]N=N1)CCO2	REAL250004576103	0	35	-1.0	-51.75	262.86	4.71	-47.04
CO[C@]12CCC[C@@]1(C(=O)N(C)C1=NN=N[N-]1)CCO2	REAL250004576103	1	35	-1.0	-51.86	262.73	4.72	-47.14
CN(C(=O)C1(C2CCCCO2)CCOCC1)C1=N[N-]N=N1	REAL250004576104	0	41	-1.0	-52.26	291.67	4.26	-48.00
CN(C(=O)C1(C2CCCCO2)CCOCC1)C1=NN=N[N-]1	REAL250004576104	1	41	-1.0	-52.34	291.53	4.26	-48.08
CC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004576105	0	32	-1.0	-47.67	269.01	6.16	-41.51
CC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004576105	1	32	-1.0	-47.63	269.13	6.15	-41.48
CN(C(=O)C1CNC(=O)CC1C(F)(F)F)C1=N[N-]N=N1	REAL250004576106	0	30	-1.0	-47.11	260.63	2.13	-44.98
CN(C(=O)C1CNC(=O)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004576106	1	30	-1.0	-47.20	260.49	2.15	-45.05
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004576107	0	35	-1.0	-50.86	297.54	5.69	-45.17
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004576107	1	35	-1.0	-50.93	297.40	5.69	-45.24
COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004576108	0	36	-1.0	-55.27	300.93	5.73	-49.54
COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004576108	1	36	-1.0	-55.33	300.80	5.76	-49.57
COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576109	0	36	-1.0	-52.28	302.25	4.76	-47.52
COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576109	1	36	-1.0	-52.41	302.12	4.78	-47.63
COC1=CC=C(OC)C(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576110	0	35	-1.0	-51.91	296.72	5.12	-46.79
COC1=CC=C(OC)C(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576110	1	35	-1.0	-51.92	296.57	5.12	-46.80
CN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004576111	0	38	-1.0	-50.16	305.90	6.91	-43.25
CN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004576111	1	38	-1.0	-50.25	305.77	6.94	-43.31
CN(C(=O)CC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004576112	0	25	-1.0	-52.18	240.07	4.85	-47.33
CN(C(=O)CC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004576112	1	25	-1.0	-52.26	239.93	4.87	-47.39
CN(C(=O)CC1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004576113	0	31	-1.0	-51.08	267.47	6.23	-44.85
CN(C(=O)CC1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004576113	1	31	-1.0	-51.01	267.61	6.20	-44.81
CN(C(=O)CC1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004576114	0	31	-1.0	-53.54	270.84	6.36	-47.18
CN(C(=O)CC1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004576114	1	31	-1.0	-53.46	270.97	6.33	-47.13
CN(C(=O)CC1=CSC(C2CCCC2)=N1)C1=N[N-]N=N1	REAL250004576115	0	35	-1.0	-49.66	300.34	6.19	-43.47
CN(C(=O)CC1=CSC(C2CCCC2)=N1)C1=NN=N[N-]1	REAL250004576115	1	35	-1.0	-49.75	300.20	6.23	-43.52
CN(C(=O)C1=NOC2=C1CC(C)(C)CC2)C1=N[N-]N=N1	REAL250004576116	0	35	-1.0	-47.01	278.54	6.52	-40.49
CN(C(=O)C1=NOC2=C1CC(C)(C)CC2)C1=NN=N[N-]1	REAL250004576116	1	35	-1.0	-47.10	278.40	6.54	-40.56
CN(C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004576117	0	26	-1.0	-38.81	249.67	6.10	-32.71
CN(C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004576117	1	26	-1.0	-38.89	249.53	6.13	-32.76
CN(C(=O)CC1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004576118	0	29	-1.0	-50.20	266.36	5.15	-45.05
CN(C(=O)CC1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004576118	1	29	-1.0	-50.27	266.22	5.18	-45.09
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL250004576119	0	37	-1.0	-52.73	303.78	8.88	-43.85
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL250004576119	1	37	-1.0	-52.66	303.91	8.86	-43.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004576120	0	26	-1.0	-49.53	252.97	5.05	-44.48
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004576120	1	26	-1.0	-49.63	252.82	5.07	-44.56
CN(C(=O)C1=COC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004576121	0	31	-1.0	-45.38	264.87	3.52	-41.86
CN(C(=O)C1=COC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004576121	1	31	-1.0	-45.32	265.02	3.50	-41.82
CN(C(=O)CCC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576122	0	36	-1.0	-49.86	293.56	8.51	-41.35
CN(C(=O)CCC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576122	1	36	-1.0	-49.97	293.43	8.54	-41.43
CC1=NN(C2CCOCC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576123	0	37	-1.0	-48.35	298.16	4.12	-44.23
CC1=NN(C2CCOCC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576123	1	37	-1.0	-48.42	297.99	4.12	-44.30
CN(C(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL250004576124	0	25	-1.0	-47.71	238.57	5.23	-42.48
CN(C(=O)C1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL250004576124	1	25	-1.0	-47.64	238.71	5.22	-42.42
CN(C(=O)CCC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004576125	0	36	-1.0	-46.98	288.50	5.23	-41.75
CN(C(=O)CCC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004576125	1	36	-1.0	-47.13	288.36	5.26	-41.87
CN(C(=O)CC(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004576126	0	31	-1.0	-48.76	251.38	5.66	-43.10
CN(C(=O)CC(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004576126	1	31	-1.0	-48.90	251.25	5.68	-43.22
COC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=C1	REAL250004576127	0	37	-1.0	-46.83	295.76	6.74	-40.09
COC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=C1	REAL250004576127	1	37	-1.0	-46.90	295.63	6.78	-40.12
CN(C(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=N[N-]N=N1	REAL250004576129	0	33	-1.0	-47.89	267.78	4.53	-43.36
CN(C(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=NN=N[N-]1	REAL250004576129	1	33	-1.0	-47.93	267.64	4.55	-43.38
CN(C(=O)CC1=CC=C(S(=O)(=O)F)C=C1)C1=N[N-]N=N1	REAL250004576130	0	29	-1.0	-52.15	275.22	3.20	-48.95
CN(C(=O)CC1=CC=C(S(=O)(=O)F)C=C1)C1=NN=N[N-]1	REAL250004576130	1	29	-1.0	-52.23	275.08	3.23	-49.00
CCOC(=O)N(C)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004576131	0	36	-1.0	-54.69	304.76	5.03	-49.66
CCOC(=O)N(C)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004576131	1	36	-1.0	-54.79	304.62	5.07	-49.72
CN(C(=O)CC1CCC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004576132	0	37	-1.0	-50.43	289.76	6.61	-43.82
CN(C(=O)CC1CCC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004576132	1	37	-1.0	-50.48	289.63	6.64	-43.84
CN(C(=O)CC1CCC2(CCOCC2)CO1)C1=N[N-]N=N1	REAL250004576133	0	41	-1.0	-51.11	306.90	5.18	-45.93
CN(C(=O)CC1CCC2(CCOCC2)CO1)C1=NN=N[N-]1	REAL250004576133	1	41	-1.0	-51.14	306.76	5.20	-45.94
CN(C(=O)C1CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004576134	0	31	-1.0	-48.24	243.85	5.84	-42.40
CN(C(=O)C1CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004576134	1	31	-1.0	-48.33	243.71	5.87	-42.46
CN(C(=O)C1=CSC=C1C(F)F)C1=N[N-]N=N1	REAL250004576135	0	23	-1.0	-55.87	219.54	4.85	-51.02
CN(C(=O)C1=CSC=C1C(F)F)C1=NN=N[N-]1	REAL250004576135	1	23	-1.0	-55.97	219.40	4.86	-51.11
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=N[N-]N=N1	REAL250004576136	0	30	-1.0	-45.52	267.03	7.35	-38.17
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NN=N[N-]1	REAL250004576136	1	30	-1.0	-45.61	266.89	7.37	-38.24
CN(C(=O)CCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576137	0	35	-1.0	-47.72	294.26	8.34	-39.38
CN(C(=O)CCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576137	1	35	-1.0	-47.81	294.12	8.37	-39.44
COC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576138	0	25	-1.0	-49.09	246.66	3.71	-45.38
COC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576138	1	25	-1.0	-49.01	246.80	3.68	-45.33
CN(C(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=NN=N[N-]1	REAL250004576139	0	32	-1.0	-44.85	274.94	4.53	-40.32
CN(C(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=N[N-]N=N1	REAL250004576139	1	32	-1.0	-44.79	275.07	4.51	-40.28
CN(C(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=NN=N[N-]1	REAL250004576140	0	32	-1.0	-44.56	275.15	4.55	-40.01
CN(C(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=N[N-]N=N1	REAL250004576140	1	32	-1.0	-44.49	275.29	4.54	-39.95
CCN1N=C(C2CC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576141	0	33	-1.0	-43.72	273.08	5.66	-38.06
CCN1N=C(C2CC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576141	1	33	-1.0	-43.59	273.22	5.66	-37.93
CN(C(=O)CC1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004576142	0	34	-1.0	-53.49	274.02	5.98	-47.51
CN(C(=O)CC1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004576142	1	34	-1.0	-53.56	273.88	6.01	-47.55
CN(C(=O)C1CCOC2(CCC2)C1)C1=N[N-]N=N1	REAL250004576143	0	34	-1.0	-31.42	261.02	4.93	-26.49
CN(C(=O)C1CCOC2(CCC2)C1)C1=NN=N[N-]1	REAL250004576143	1	34	-1.0	-31.49	260.94	4.96	-26.53
CN(C(=O)C1=CN(C)N=C1Br)C1=NN=N[N-]1	REAL250004576144	0	23	-1.0	-51.17	226.75	3.16	-48.01
CN(C(=O)C1=CN(C)N=C1Br)C1=N[N-]N=N1	REAL250004576144	1	23	-1.0	-51.10	226.91	3.15	-47.95
CN(C(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=NN=N[N-]1	REAL250004576145	0	35	-1.0	-52.68	298.69	7.38	-45.30
CN(C(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=N[N-]N=N1	REAL250004576145	1	35	-1.0	-52.57	298.83	7.37	-45.20
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576146	0	31	-1.0	-61.11	270.34	7.10	-54.01
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576146	1	31	-1.0	-61.05	270.48	7.09	-53.96
CN(C(=O)C1CC2(C1)CC(F)(F)C2)C1=N[N-]N=N1	REAL250004576147	0	30	-1.0	-47.24	257.27	6.25	-40.99
CN(C(=O)C1CC2(C1)CC(F)(F)C2)C1=NN=N[N-]1	REAL250004576147	1	30	-1.0	-47.29	257.14	6.27	-41.02
C[C@H](C(=O)N(C)C1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL250004576148	0	34	-1.0	-41.44	282.19	7.29	-34.15
C[C@H](C(=O)N(C)C1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL250004576148	1	34	-1.0	-41.48	282.02	7.30	-34.18
CN(C(=O)C1=COC2=C1C(=O)NCCC2)C1=NN=N[N-]1	REAL250004576149	0	31	-1.0	-63.26	258.91	2.64	-60.62
CN(C(=O)C1=COC2=C1C(=O)NCCC2)C1=N[N-]N=N1	REAL250004576149	1	31	-1.0	-63.13	259.06	2.63	-60.50
CC1=NC(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N1	REAL250004576150	0	31	-1.0	-52.58	269.52	3.13	-49.45
CC1=NC(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N1	REAL250004576150	1	31	-1.0	-52.49	269.66	3.14	-49.35
CN(C(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NN=N[N-]1	REAL250004576151	0	25	-1.0	-44.12	250.08	4.94	-39.18
CN(C(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=N[N-]N=N1	REAL250004576151	1	25	-1.0	-44.06	250.23	4.93	-39.13
CN(C(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=N[N-]N=N1	REAL250004576152	0	29	-1.0	-50.98	270.48	6.45	-44.53
CN(C(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=NN=N[N-]1	REAL250004576152	1	29	-1.0	-51.05	270.34	6.49	-44.56
CCSC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004576153	0	33	-1.0	-49.27	288.80	7.72	-41.55
CCSC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004576153	1	33	-1.0	-49.34	288.66	7.76	-41.58
CC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576154	0	28	-1.0	-49.46	255.33	4.43	-45.03
CC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576154	1	28	-1.0	-49.53	255.19	4.47	-45.06
COC1(C(=O)N(C)C2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004576155	0	30	-1.0	-53.00	248.86	-0.15	-53.15
COC1(C(=O)N(C)C2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004576155	1	30	-1.0	-53.03	248.73	-0.13	-53.16
CN(C(=O)C1=CC=CN=C1C(F)F)C1=NN=N[N-]1	REAL250004576156	0	25	-1.0	-49.42	228.59	4.05	-45.37
CN(C(=O)C1=CC=CN=C1C(F)F)C1=N[N-]N=N1	REAL250004576156	1	25	-1.0	-49.28	228.73	4.04	-45.24
CCN1C=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576157	0	27	-1.0	-45.05	244.14	5.84	-39.21
CCN1C=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576157	1	27	-1.0	-44.99	244.28	5.83	-39.16
CN(C(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL250004576158	0	40	-1.0	-31.52	274.14	7.17	-24.35
CN(C(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL250004576158	1	40	-1.0	-31.57	274.01	7.20	-24.37
COC1=CC=CC(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576159	0	30	-1.0	-54.55	264.78	5.55	-49.00
COC1=CC=CC(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576159	1	30	-1.0	-54.48	264.89	5.53	-48.95
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004576160	0	36	-1.0	-53.37	303.81	7.04	-46.33
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004576160	1	36	-1.0	-53.28	303.94	7.02	-46.26
CN(C(=O)C1(C#N)CC2CCC1CC2)C1=N[N-]N=N1	REAL250004576161	0	34	-1.0	-43.32	257.84	5.84	-37.48
CN(C(=O)C1(C#N)CC2CCC1CC2)C1=NN=N[N-]1	REAL250004576161	1	34	-1.0	-43.40	257.71	5.85	-37.55
COC(=O)C1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004576162	0	29	-1.0	-42.16	261.33	4.90	-37.26
COC(=O)C1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004576162	1	29	-1.0	-42.26	261.19	4.93	-37.33
CC1=CC=C(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)C2)C=C1	REAL250004576163	0	34	-1.0	-53.29	292.95	7.19	-46.10
CC1=CC=C(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)C2)C=C1	REAL250004576163	1	34	-1.0	-53.32	292.81	7.21	-46.11
CN(C(=O)C1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576164	0	25	-1.0	-47.82	232.86	5.66	-42.16
CN(C(=O)C1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576164	1	25	-1.0	-47.79	233.00	5.63	-42.16
CN(C(=O)C1=CC=CC(S(=O)(=O)F)=C1)C1=N[N-]N=N1	REAL250004576165	0	26	-1.0	-51.51	249.70	2.03	-49.48
CN(C(=O)C1=CC=CC(S(=O)(=O)F)=C1)C1=NN=N[N-]1	REAL250004576165	1	26	-1.0	-51.58	249.57	2.02	-49.56
CN(C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576166	0	33	-1.0	-49.42	278.20	8.11	-41.31
CN(C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576166	1	33	-1.0	-49.51	278.07	8.13	-41.38
CN(C(=O)CCCC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004576167	0	39	-1.0	-49.58	321.99	9.66	-39.92
CN(C(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004576167	1	39	-1.0	-49.67	321.85	9.70	-39.97
COC1=CC(OC)=NC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576168	0	29	-1.0	-44.70	257.58	0.75	-43.95
COC1=CC(OC)=NC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576168	1	29	-1.0	-44.65	257.71	0.73	-43.92
CN(C(=O)C1(C)CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004576169	0	29	-1.0	-37.47	233.64	2.57	-34.90
CN(C(=O)C1(C)CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004576169	1	29	-1.0	-37.50	233.49	2.59	-34.91
CN(C(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004576170	0	32	-1.0	-45.81	284.43	7.49	-38.32
CN(C(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004576170	1	32	-1.0	-45.88	284.29	7.50	-38.38
COC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004576171	0	32	-1.0	-49.70	273.67	4.61	-45.09
COC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004576171	1	32	-1.0	-49.63	273.81	4.62	-45.01
CN(C(=O)C1=NN2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576172	0	29	-1.0	-54.09	252.61	4.10	-49.99
CN(C(=O)C1=NN2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576172	1	29	-1.0	-54.01	252.76	4.08	-49.93
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004576173	0	31	-1.0	-49.83	261.49	6.09	-43.74
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004576173	1	31	-1.0	-49.74	261.62	6.08	-43.66
CN(C(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL250004576174	0	30	-1.0	-53.08	266.45	4.75	-48.33
CN(C(=O)C1CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL250004576174	1	30	-1.0	-53.05	266.58	4.73	-48.32
CCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1CC1	REAL250004576175	0	33	-1.0	-50.54	279.93	6.26	-44.28
CCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1CC1	REAL250004576175	1	33	-1.0	-50.46	280.08	6.24	-44.22
CN(C(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL250004576176	0	33	-1.0	-66.24	282.86	3.28	-62.96
CN(C(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL250004576176	1	33	-1.0	-66.29	282.71	3.29	-63.00
CN(C(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=NN=N[N-]1	REAL250004576177	0	33	-1.0	-64.79	285.00	3.44	-61.35
CN(C(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=N[N-]N=N1	REAL250004576177	1	33	-1.0	-64.76	285.13	3.43	-61.33
CN(C(=O)C1=CC=C(NC2CC2)N=C1)C1=NN=N[N-]1	REAL250004576178	0	31	-1.0	-47.95	263.34	4.48	-43.47
CN(C(=O)C1=CC=C(NC2CC2)N=C1)C1=N[N-]N=N1	REAL250004576178	1	31	-1.0	-47.85	263.48	4.45	-43.40
COC1=CC=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576180	0	30	-1.0	-43.94	266.39	5.22	-38.72
COC1=CC=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576180	1	30	-1.0	-44.00	266.25	5.26	-38.74
CC1=CC(C#N)=CC(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004576181	0	33	-1.0	-48.05	284.71	7.37	-40.68
CC1=CC(C#N)=CC(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004576181	1	33	-1.0	-48.17	284.57	7.41	-40.76
CN(C(=O)C1CCOC2(CCCC2)C1)C1=N[N-]N=N1	REAL250004576182	0	37	-1.0	-47.24	275.94	5.26	-41.98
CN(C(=O)C1CCOC2(CCCC2)C1)C1=NN=N[N-]1	REAL250004576182	1	37	-1.0	-47.36	275.80	5.29	-42.07
CC1=CC=CC(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004576183	0	36	-1.0	-51.17	297.71	8.97	-42.20
CC1=CC=CC(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004576183	1	36	-1.0	-51.14	297.85	8.98	-42.16
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004576184	0	30	-1.0	-44.79	262.08	6.31	-38.48
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004576184	1	30	-1.0	-44.69	262.22	6.31	-38.38
CN(C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004576185	0	32	-1.0	-51.85	277.36	6.70	-45.15
CN(C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004576185	1	32	-1.0	-51.81	277.50	6.70	-45.11
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576186	0	32	-1.0	-47.53	278.17	3.50	-44.03
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576186	1	32	-1.0	-47.43	278.31	3.47	-43.96
CC1=CC=CC=C1C1=NOC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576187	0	34	-1.0	-53.07	286.33	7.35	-45.72
CC1=CC=CC=C1C1=NOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576187	1	34	-1.0	-53.12	286.20	7.37	-45.75
CNC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576188	0	32	-1.0	-63.20	272.04	2.44	-60.76
CNC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576188	1	32	-1.0	-63.13	272.19	2.44	-60.69
CN(C(=O)C1=CN(C)N=C1C1CCCC1)C1=NN=N[N-]1	REAL250004576189	0	36	-1.0	-50.98	291.32	5.88	-45.10
CN(C(=O)C1=CN(C)N=C1C1CCCC1)C1=N[N-]N=N1	REAL250004576189	1	36	-1.0	-50.92	291.47	5.86	-45.06
CCOC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004576190	0	32	-1.0	-53.14	279.27	4.65	-48.49
CCOC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004576190	1	32	-1.0	-53.20	279.13	4.68	-48.52
CC(SC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576191	0	30	-1.0	-46.35	270.62	6.89	-39.46
CC(SC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576191	1	30	-1.0	-46.42	270.49	6.92	-39.50
CN(C(=O)C1=C(C(F)F)SC=C1)C1=N[N-]N=N1	REAL250004576192	0	23	-1.0	-48.42	223.45	4.86	-43.56
CN(C(=O)C1=C(C(F)F)SC=C1)C1=NN=N[N-]1	REAL250004576192	1	23	-1.0	-48.56	223.31	4.87	-43.69
CN(C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576193	0	36	-1.0	-47.69	303.48	9.00	-38.69
CN(C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576193	1	36	-1.0	-47.76	303.34	9.03	-38.73
CN(C(=O)C1=CC=C(CN2C=CN=N2)O1)C1=NN=N[N-]1	REAL250004576194	0	29	-1.0	-53.43	264.60	4.03	-49.40
CN(C(=O)C1=CC=C(CN2C=CN=N2)O1)C1=N[N-]N=N1	REAL250004576194	1	29	-1.0	-53.38	264.75	4.00	-49.38
CN(C(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004576195	0	29	-1.0	-51.30	257.47	5.45	-45.85
CN(C(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004576195	1	29	-1.0	-51.22	257.61	5.42	-45.80
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004576196	0	29	-1.0	-47.75	265.33	7.06	-40.69
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004576196	1	29	-1.0	-47.90	265.19	7.10	-40.80
CC1=NN(CCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576197	0	35	-1.0	-54.80	295.44	5.80	-49.00
CC1=NN(CCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576197	1	35	-1.0	-54.83	295.30	5.84	-48.99
CN(C(=O)C1=NC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004576198	0	27	-1.0	-59.67	238.50	5.02	-54.65
CN(C(=O)C1=NC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004576198	1	27	-1.0	-59.62	238.63	5.01	-54.61
CN(C(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004576199	0	28	-1.0	-45.59	259.59	5.84	-39.75
CN(C(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004576199	1	28	-1.0	-45.50	259.72	5.82	-39.68
CN(C(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576200	0	32	-1.0	-50.53	271.37	2.17	-48.36
CN(C(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576200	1	32	-1.0	-50.45	271.51	2.16	-48.29
COC1=CC=CC(CC(C)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576201	0	39	-1.0	-51.16	314.92	7.26	-43.90
COC1=CC=CC(CC(C)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576201	1	39	-1.0	-51.20	314.78	7.27	-43.93
CC(C)C1CC(C(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004576202	0	36	-1.0	-31.15	267.94	5.27	-25.88
CC(C)C1CC(C(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004576202	1	36	-1.0	-31.26	267.80	5.29	-25.97
CN(C(=O)C1=CC=CC2=C1CCOC2)C1=NN=N[N-]1	REAL250004576203	0	31	-1.0	-49.25	254.56	5.00	-44.25
CN(C(=O)C1=CC=CC2=C1CCOC2)C1=N[N-]N=N1	REAL250004576203	1	31	-1.0	-49.18	254.70	5.00	-44.18
CN(C(=O)CC1CCCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004576204	0	33	-1.0	-53.46	276.21	5.72	-47.74
CN(C(=O)CC1CCCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004576204	1	33	-1.0	-53.53	276.07	5.75	-47.78
COC1(C(=O)N(C)C2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004576205	0	27	-1.0	-52.30	238.29	0.15	-52.15
COC1(C(=O)N(C)C2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004576205	1	27	-1.0	-52.39	238.16	0.17	-52.22
CN(C(=O)CC1CCC(C2CC2)O1)C1=N[N-]N=N1	REAL250004576206	0	34	-1.0	-53.17	278.71	6.26	-46.91
CN(C(=O)CC1CCC(C2CC2)O1)C1=NN=N[N-]1	REAL250004576206	1	34	-1.0	-53.27	278.58	6.29	-46.98
CN(C(=O)C1CS(=O)(=O)CC(=O)N1)C1=N[N-]N=N1	REAL250004576207	0	27	-1.0	-51.93	244.60	-2.21	-54.14
CN(C(=O)C1CS(=O)(=O)CC(=O)N1)C1=NN=N[N-]1	REAL250004576207	1	27	-1.0	-52.02	244.46	-2.20	-54.22
CN(C(=O)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004576208	0	21	-1.0	-46.65	216.26	3.99	-42.66
CN(C(=O)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004576208	1	21	-1.0	-46.58	216.39	3.97	-42.61
COC(=O)C1=CC=CN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004576209	0	32	-1.0	-61.24	286.97	6.04	-55.20
COC(=O)C1=CC=CN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004576209	1	32	-1.0	-61.32	286.83	6.06	-55.26
CN(C(=O)C1(CCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004576210	0	36	-1.0	-49.70	300.72	8.51	-41.19
CN(C(=O)C1(CCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004576210	1	36	-1.0	-49.75	300.58	8.54	-41.21
CN(C(=O)C1(C)CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576211	0	34	-1.0	-47.25	265.62	5.49	-41.76
CN(C(=O)C1(C)CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576211	1	34	-1.0	-47.25	265.75	5.49	-41.76
CN(C(=O)C1(C2=CC=CC=C2)CCCO1)C1=NN=N[N-]1	REAL250004576212	0	34	-1.0	-47.03	273.08	6.30	-40.73
CN(C(=O)C1(C2=CC=CC=C2)CCCO1)C1=N[N-]N=N1	REAL250004576212	1	34	-1.0	-47.01	273.21	6.27	-40.74
CN(C)CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004576213	0	30	-1.0	-44.65	259.28	2.55	-42.10
CN(C)CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004576213	1	30	-1.0	-44.77	259.14	2.57	-42.20
CN(C(=O)CSC1=NN=CN1C)C1=NN=N[N-]1	REAL250004576214	0	26	-1.0	-49.23	247.46	5.74	-43.49
CN(C(=O)CSC1=NN=CN1C)C1=N[N-]N=N1	REAL250004576214	1	26	-1.0	-49.16	247.60	5.72	-43.44
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004576215	0	30	-1.0	-49.18	272.84	4.42	-44.76
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004576215	1	30	-1.0	-49.29	272.69	4.44	-44.85
CN(C(=O)CC1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576216	0	34	-1.0	-51.11	283.63	4.96	-46.15
CN(C(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576216	1	34	-1.0	-51.22	283.49	4.98	-46.24
COC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004576217	0	31	-1.0	-53.47	275.26	3.24	-50.23
COC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004576217	1	31	-1.0	-53.38	275.40	3.25	-50.13
COC(=O)C1CCCN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004576218	0	36	-1.0	-53.59	302.73	5.50	-48.09
COC(=O)C1CCCN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004576218	1	36	-1.0	-53.63	302.59	5.53	-48.10
CC1=C(Br)OC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576219	0	23	-1.0	-41.88	229.10	4.77	-37.11
CC1=C(Br)OC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576219	1	23	-1.0	-41.89	228.95	4.78	-37.11
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CN=C1F	REAL250004576220	0	26	-1.0	-48.25	238.50	2.95	-45.30
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CN=C1F	REAL250004576220	1	26	-1.0	-48.16	238.63	2.96	-45.20
COC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576221	0	34	-1.0	-49.60	289.39	3.84	-45.76
COC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576221	1	34	-1.0	-48.61	291.20	3.86	-44.75
CC1=CC(Cl)=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576222	0	25	-1.0	-45.95	237.64	5.29	-40.66
CC1=CC(Cl)=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576222	1	25	-1.0	-45.81	237.78	5.28	-40.53
CNC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576223	0	32	-1.0	-55.73	272.53	2.45	-53.28
CNC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576223	1	32	-1.0	-55.61	272.67	2.45	-53.16
CC1=NN(CC(F)F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576224	0	29	-1.0	-51.43	256.54	4.45	-46.98
CC1=NN(CC(F)F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576224	1	29	-1.0	-51.52	256.40	4.47	-47.05
CC(C)CN1C=CC=C(C(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004576225	0	35	-1.0	-67.49	293.99	6.06	-61.43
CC(C)CN1C=CC=C(C(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004576225	1	35	-1.0	-67.49	294.12	6.05	-61.44
CN(C(=O)C1=CC=CC=C1C1(C)CC1)C1=NN=N[N-]1	REAL250004576226	0	33	-1.0	-48.81	272.25	7.49	-41.32
CN(C(=O)C1=CC=CC=C1C1(C)CC1)C1=N[N-]N=N1	REAL250004576226	1	33	-1.0	-48.75	272.39	7.49	-41.26
CCC(C)(C)C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576227	0	38	-1.0	-47.51	283.36	8.15	-39.36
CCC(C)(C)C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576227	1	38	-1.0	-47.48	283.53	8.14	-39.34
CN(C(=O)C1(C#N)CCSCC1)C1=N[N-]N=N1	REAL250004576228	0	28	-1.0	-33.37	233.74	4.49	-28.88
CN(C(=O)C1(C#N)CCSCC1)C1=NN=N[N-]1	REAL250004576228	1	28	-1.0	-33.44	233.61	4.50	-28.94
CN(C(=O)C1=CC=CC=C1CC(C)(C)C)C1=NN=N[N-]1	REAL250004576229	0	38	-1.0	-49.75	288.46	7.96	-41.79
CN(C(=O)C1=CC=CC=C1CC(C)(C)C)C1=N[N-]N=N1	REAL250004576229	1	38	-1.0	-49.62	288.58	7.95	-41.67
CN(C(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=N[N-]N=N1	REAL250004576230	0	33	-1.0	-55.68	279.97	5.50	-50.18
CN(C(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=NN=N[N-]1	REAL250004576230	1	33	-1.0	-55.76	279.84	5.52	-50.24
CN(C(=O)C1(C)CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL250004576231	0	38	-1.0	-33.87	276.38	4.02	-29.85
CN(C(=O)C1(C)CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL250004576231	1	38	-1.0	-33.92	276.23	4.03	-29.89
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576232	0	30	-1.0	-46.11	268.79	6.54	-39.57
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576232	1	30	-1.0	-46.01	268.93	6.53	-39.48
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004576233	0	29	-1.0	-45.61	260.83	6.53	-39.08
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004576233	1	29	-1.0	-45.57	260.97	6.51	-39.06
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004576234	0	27	-1.0	-54.28	242.45	4.53	-49.75
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004576234	1	27	-1.0	-54.37	242.32	4.56	-49.81
CC1=C(C)N2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004576235	0	32	-1.0	-52.39	270.50	5.85	-46.54
CC1=C(C)N2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004576235	1	32	-1.0	-52.35	270.64	5.84	-46.51
CN(C(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL250004576236	0	32	-1.0	-51.01	273.88	7.67	-43.34
CN(C(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL250004576236	1	32	-1.0	-50.95	274.02	7.65	-43.30
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C12	REAL250004576237	0	31	-1.0	-59.59	258.90	6.17	-53.42
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C12	REAL250004576237	1	31	-1.0	-59.58	259.05	6.15	-53.43
CN(C(=O)C1=C2C=COC2=C(F)C=C1)C1=NN=N[N-]1	REAL250004576238	0	26	-1.0	-48.45	238.08	5.40	-43.05
CN(C(=O)C1=C2C=COC2=C(F)C=C1)C1=N[N-]N=N1	REAL250004576238	1	26	-1.0	-48.38	238.21	5.36	-43.02
CN(C(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004576239	0	26	-1.0	-48.14	248.42	5.84	-42.30
CN(C(=O)C1=C2C=COC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004576239	1	26	-1.0	-48.09	248.53	5.83	-42.26
CN(C(=O)C1=CC(Cl)=NC=C1F)C1=NN=N[N-]1	REAL250004576240	0	22	-1.0	-44.12	221.57	3.69	-40.43
CN(C(=O)C1=CC(Cl)=NC=C1F)C1=N[N-]N=N1	REAL250004576240	1	22	-1.0	-44.02	221.70	3.68	-40.34
CN(C(=O)C1=C(F)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004576241	0	26	-1.0	-52.78	241.71	3.86	-48.92
CN(C(=O)C1=C(F)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004576241	1	26	-1.0	-52.68	241.86	3.85	-48.83
CN(C(=O)C1=C2OC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL250004576242	0	26	-1.0	-50.39	234.84	5.54	-44.85
CN(C(=O)C1=C2OC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL250004576242	1	26	-1.0	-50.33	234.99	5.54	-44.79
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=CC=C1	REAL250004576243	0	29	-1.0	-45.41	254.41	6.46	-38.95
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=CC=C1	REAL250004576243	1	29	-1.0	-45.38	254.55	6.45	-38.93
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576244	0	29	-1.0	-48.94	270.59	6.58	-42.36
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576244	1	29	-1.0	-48.87	270.73	6.58	-42.29
COC1=CC=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004576245	0	30	-1.0	-56.21	257.59	5.06	-51.15
COC1=CC=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004576245	1	30	-1.0	-56.08	256.73	5.11	-50.97
CC1=C(C=CC(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004576246	0	26	-1.0	-47.78	243.68	4.27	-43.51
CC1=C(C=CC(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004576246	1	26	-1.0	-47.93	243.53	4.28	-43.65
CN(C(=O)C=CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004576247	0	27	-1.0	-46.93	255.65	6.99	-39.94
CN(C(=O)C=CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004576247	1	27	-1.0	-47.02	255.50	6.99	-40.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C(C)(C)C)O1	REAL250004576248	0	35	-1.0	-45.73	285.67	6.56	-39.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL250004576248	1	35	-1.0	-45.80	285.53	6.59	-39.21
CN(C(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004576249	0	35	-1.0	-48.13	305.35	6.25	-41.88
CN(C(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004576249	1	35	-1.0	-48.24	305.20	6.26	-41.98
CN(C(=O)C1(F)CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004576250	0	26	-1.0	-52.56	231.28	0.60	-51.96
CN(C(=O)C1(F)CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004576250	1	26	-1.0	-52.62	231.14	0.62	-52.00
CN(C(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004576251	0	34	-1.0	-47.18	290.65	7.79	-39.39
CN(C(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004576251	1	34	-1.0	-47.21	290.50	7.81	-39.40
CC1=C(OCC(=O)N(C)C2=N[N-]N=N2)C(=O)C=CO1	REAL250004576252	0	29	-1.0	-57.77	261.91	5.19	-52.58
CC1=C(OCC(=O)N(C)C2=NN=N[N-]2)C(=O)C=CO1	REAL250004576252	1	29	-1.0	-57.86	261.78	5.21	-52.65
CN(C(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004576254	0	31	-1.0	-50.56	277.18	7.21	-43.35
CN(C(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004576254	1	31	-1.0	-50.61	277.04	7.25	-43.36
CN(C(=O)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004576255	0	24	-1.0	-45.28	229.15	4.88	-40.40
CN(C(=O)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004576255	1	24	-1.0	-45.38	229.02	4.88	-40.50
CN(C(=O)C1=CC=C(C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004576256	0	23	-1.0	-41.13	227.77	4.62	-36.51
CN(C(=O)C1=CC=C(C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004576256	1	23	-1.0	-41.24	227.62	4.64	-36.60
CCC1=NOC(COCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576257	0	31	-1.0	-57.18	277.40	2.55	-54.63
CCC1=NOC(COCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576257	1	31	-1.0	-57.26	277.26	2.57	-54.69
CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004576258	0	28	-1.0	-43.64	257.09	5.02	-38.62
CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004576258	1	28	-1.0	-43.67	256.95	5.03	-38.64
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576259	0	36	-1.0	-50.00	291.86	8.72	-41.28
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576259	1	36	-1.0	-49.88	291.99	8.72	-41.16
COC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004576260	0	35	-1.0	-46.39	293.12	5.28	-41.11
COC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004576260	1	35	-1.0	-46.30	293.26	5.26	-41.04
CC1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576261	0	25	-1.0	-49.05	237.28	5.41	-43.64
CC1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576261	1	25	-1.0	-49.15	237.14	5.41	-43.74
CN(C(=O)C1=CC=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL250004576262	0	27	-1.0	-53.05	249.72	4.58	-48.47
CN(C(=O)C1=CC=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL250004576262	1	27	-1.0	-53.14	249.59	4.60	-48.54
CC1=CC2=CC=C(C)C(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004576263	0	35	-1.0	-52.08	295.17	8.47	-43.61
CC1=CC2=CC=C(C)C(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004576263	1	35	-1.0	-52.18	294.53	8.42	-43.76
CC1=NN(C)C=C1C1=NOC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576264	0	34	-1.0	-57.30	292.84	5.02	-52.28
CC1=NN(C)C=C1C1=NOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576264	1	34	-1.0	-57.34	292.70	5.03	-52.31
CN(C(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL250004576265	0	29	-1.0	-49.97	259.57	4.94	-45.03
CN(C(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL250004576265	1	29	-1.0	-49.85	259.71	4.93	-44.92
CN(C(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004576266	0	24	-1.0	-41.77	233.83	3.18	-38.59
CN(C(=O)C1=CN=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004576266	1	24	-1.0	-41.64	233.97	3.17	-38.47
CN(C(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL250004576267	0	30	-1.0	-49.93	269.66	5.39	-44.54
CN(C(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL250004576267	1	30	-1.0	-49.87	269.80	5.38	-44.49
CN(C(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL250004576268	0	34	-1.0	-49.95	279.69	5.84	-44.11
CN(C(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL250004576268	1	34	-1.0	-49.88	279.82	5.86	-44.02
CN(C(=O)CCNC(=O)C=CCl)C1=N[N-]N=N1	REAL250004576269	0	27	-1.0	-54.04	259.69	2.45	-51.59
CN(C(=O)CCNC(=O)C=CCl)C1=NN=N[N-]1	REAL250004576269	1	27	-1.0	-54.13	259.55	2.48	-51.65
CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=N[N-]N=N1	REAL250004576270	0	40	-1.0	-53.20	311.96	2.66	-50.54
CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NN=N[N-]1	REAL250004576270	1	40	-1.0	-53.36	311.97	2.65	-50.71
CN(C(=O)C12CCOC1CCCC2)C1=N[N-]N=N1	REAL250004576271	0	34	-1.0	-52.49	249.08	4.41	-48.08
CN(C(=O)C12CCOC1CCCC2)C1=NN=N[N-]1	REAL250004576271	1	34	-1.0	-52.60	248.94	4.44	-48.16
CN(C(=O)C1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004576272	0	22	-1.0	-40.41	219.85	3.57	-36.84
CN(C(=O)C1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004576272	1	22	-1.0	-40.36	219.99	3.57	-36.79
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C12	REAL250004576274	0	31	-1.0	-57.66	275.27	5.33	-52.33
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C12	REAL250004576274	1	31	-1.0	-57.59	275.41	5.30	-52.29
CN(C(=O)C1=CC=C(CN2CCCCC2)O1)C1=N[N-]N=N1	REAL250004576275	0	38	-1.0	-45.68	305.30	5.14	-40.54
CN(C(=O)C1=CC=C(CN2CCCCC2)O1)C1=NN=N[N-]1	REAL250004576275	1	38	-1.0	-45.74	305.15	5.17	-40.57
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576276	0	38	-1.0	-49.28	308.79	7.67	-41.61
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576276	1	38	-1.0	-49.30	308.65	7.71	-41.59
CN(C(=O)C1=CC=C(CC2CC2)S1)C1=N[N-]N=N1	REAL250004576277	0	30	-1.0	-45.94	267.39	6.98	-38.96
CN(C(=O)C1=CC=C(CC2CC2)S1)C1=NN=N[N-]1	REAL250004576277	1	30	-1.0	-46.07	267.24	7.00	-39.07
COC1=CC(OC)=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576278	0	34	-1.0	-51.61	288.87	4.57	-47.04
COC1=CC(OC)=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576278	1	34	-1.0	-51.69	288.73	4.61	-47.08
CN(C(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004576279	0	32	-1.0	-50.16	272.76	7.67	-42.49
CN(C(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004576279	1	32	-1.0	-50.11	272.90	7.66	-42.45
COC1=C2C=CSC2=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576280	0	30	-1.0	-51.08	269.72	5.67	-45.41
COC1=C2C=CSC2=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576280	1	30	-1.0	-51.01	269.85	5.65	-45.36
CN(C(=O)CCCCCCCCC1CC1)C1=N[N-]N=N1	REAL250004576281	0	44	-1.0	-47.08	351.96	10.01	-37.07
CN(C(=O)CCCCCCCCC1CC1)C1=NN=N[N-]1	REAL250004576281	1	44	-1.0	-47.21	351.82	10.04	-37.17
CN(C(=O)C12CCC(C)(CC1)OC2)C1=N[N-]N=N1	REAL250004576282	0	34	-1.0	-32.39	250.19	4.01	-28.38
CN(C(=O)C12CCC(C)(CC1)OC2)C1=NN=N[N-]1	REAL250004576282	1	34	-1.0	-32.42	250.07	4.02	-28.40
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SN=N1	REAL250004576283	0	27	-1.0	-40.35	242.05	3.37	-36.98
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SN=N1	REAL250004576283	1	27	-1.0	-40.46	241.91	3.41	-37.05
CN(C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL250004576285	0	33	-1.0	-49.19	268.56	7.38	-41.81
CN(C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL250004576285	1	33	-1.0	-49.11	268.70	7.39	-41.72
CC1CCN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C1	REAL250004576286	0	38	-1.0	-45.82	302.88	6.14	-39.68
CC1CCN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C1	REAL250004576286	1	38	-1.0	-45.73	303.02	6.13	-39.60
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004576287	0	29	-1.0	-47.00	253.69	6.36	-40.64
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004576287	1	29	-1.0	-47.11	253.56	6.39	-40.72
CN(C(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=N[N-]N=N1	REAL250004576288	0	30	-1.0	-53.76	267.55	2.79	-50.97
CN(C(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NN=N[N-]1	REAL250004576288	1	30	-1.0	-53.82	267.41	2.79	-51.03
CN(C(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NN=N[N-]1	REAL250004576289	0	26	-1.0	-43.87	255.78	6.75	-37.12
CN(C(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=N[N-]N=N1	REAL250004576289	1	26	-1.0	-43.78	255.93	6.72	-37.06
CN(C(=O)C1=NOC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576290	0	29	-1.0	-49.46	259.35	6.62	-42.84
CN(C(=O)C1=NOC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576290	1	29	-1.0	-49.45	259.47	6.61	-42.84
COC1=CC=CC(N2C=CC(C(=O)N(C)C3=NN=N[N-]3)=N2)=C1	REAL250004576291	0	34	-1.0	-53.09	293.08	6.07	-47.02
COC1=CC=CC(N2C=CC(C(=O)N(C)C3=N[N-]N=N3)=N2)=C1	REAL250004576291	1	34	-1.0	-53.02	293.22	6.06	-46.96
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004576292	0	30	-1.0	-48.54	269.24	5.89	-42.65
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004576292	1	30	-1.0	-48.59	269.11	5.91	-42.68
C[C@@H]1C[C@H](C(=O)N(C)C2=N[N-]N=N2)CC(C)(C)C1	REAL250004576293	0	38	-1.0	-32.62	281.07	7.06	-25.56
C[C@@H]1C[C@H](C(=O)N(C)C2=NN=N[N-]2)CC(C)(C)C1	REAL250004576293	1	38	-1.0	-32.70	280.93	7.07	-25.63
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004576294	0	32	-1.0	-48.17	273.61	7.62	-40.55
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004576294	1	32	-1.0	-48.11	273.75	7.60	-40.51
CN(C(=O)C1=CN(CC2CCCO2)N=N1)C1=NN=N[N-]1	REAL250004576295	0	33	-1.0	-48.81	282.09	3.01	-45.80
CN(C(=O)C1=CN(CC2CCCO2)N=N1)C1=N[N-]N=N1	REAL250004576295	1	33	-1.0	-48.68	282.24	2.99	-45.69
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=N1	REAL250004576296	0	30	-1.0	-49.71	262.94	1.03	-48.68
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=N1	REAL250004576296	1	30	-1.0	-49.64	263.08	1.03	-48.61
CN(C(=O)CC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004576297	0	30	-1.0	-55.78	264.41	2.74	-53.04
CN(C(=O)CC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004576297	1	30	-1.0	-55.86	264.28	2.77	-53.09
CCC(=O)NC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576298	0	32	-1.0	-57.44	273.14	2.75	-54.69
CCC(=O)NC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576298	1	32	-1.0	-57.41	273.28	2.75	-54.66
CN(C(=O)CC(C(F)F)N1C=CC=N1)C1=NN=N[N-]1	REAL250004576299	0	29	-1.0	-51.50	256.40	4.89	-46.61
CN(C(=O)CC(C(F)F)N1C=CC=N1)C1=N[N-]N=N1	REAL250004576299	1	29	-1.0	-51.42	256.53	4.87	-46.55
CC(C)C1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576300	0	32	-1.0	-46.64	278.30	7.34	-39.30
CC(C)C1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576300	1	32	-1.0	-46.56	278.43	7.32	-39.24
CC1CN2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C(=O)N1	REAL250004576301	0	31	-1.0	-55.38	266.57	1.71	-53.67
CC1CN2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C(=O)N1	REAL250004576301	1	31	-1.0	-55.24	266.71	1.69	-53.55
CN(C(=O)C1(C2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004576302	0	34	-1.0	-53.78	261.97	4.76	-49.02
CN(C(=O)C1(C2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004576302	1	34	-1.0	-53.81	261.83	4.77	-49.04
CN(C(=O)C1(C)CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004576303	0	34	-1.0	-52.66	251.01	5.99	-46.67
CN(C(=O)C1(C)CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004576303	1	34	-1.0	-52.71	250.87	6.00	-46.71
CN(C(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004576304	0	36	-1.0	-50.84	254.66	1.72	-49.12
CN(C(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004576304	1	36	-1.0	-50.91	254.51	1.72	-49.19
CN(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004576305	0	27	-1.0	-45.20	240.49	3.27	-41.93
CN(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004576305	1	27	-1.0	-45.27	240.35	3.29	-41.98
CN(C(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NN=N[N-]1	REAL250004576306	0	28	-1.0	-50.02	259.06	2.55	-47.47
CN(C(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=N[N-]N=N1	REAL250004576306	1	28	-1.0	-49.89	259.20	2.55	-47.34
CN(C(=O)CC(C(F)F)N1C=CN=C1)C1=N[N-]N=N1	REAL250004576307	0	29	-1.0	-48.26	257.11	6.11	-42.15
CN(C(=O)CC(C(F)F)N1C=CN=C1)C1=NN=N[N-]1	REAL250004576307	1	29	-1.0	-48.39	256.98	6.12	-42.27
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CS2)=NO1	REAL250004576308	0	29	-1.0	-45.64	278.68	6.19	-39.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CS2)=NO1	REAL250004576308	1	29	-1.0	-45.54	278.82	6.17	-39.37
CN(C(=O)C1=CC=C(F)C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004576309	0	28	-1.0	-54.27	246.87	5.67	-48.60
CN(C(=O)C1=CC=C(F)C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004576309	1	28	-1.0	-54.17	247.01	5.67	-48.50
CN(C(=O)C1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004576310	0	26	-1.0	-54.05	247.14	4.76	-49.29
CN(C(=O)C1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004576310	1	26	-1.0	-53.93	247.28	4.74	-49.19
CN(C(=O)C1=NC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004576311	0	22	-1.0	-44.68	228.53	5.22	-39.46
CN(C(=O)C1=NC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004576311	1	22	-1.0	-44.64	228.67	5.22	-39.42
CN(C(=O)C1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004576312	0	28	-1.0	-51.50	245.44	6.49	-45.01
CN(C(=O)C1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004576312	1	28	-1.0	-51.46	245.58	6.47	-44.99
CN(C(=O)C1COC2=CC(Cl)=CC=C2C1)C1=N[N-]N=N1	REAL250004576313	0	31	-1.0	-42.85	271.64	6.06	-36.79
CN(C(=O)C1COC2=CC(Cl)=CC=C2C1)C1=NN=N[N-]1	REAL250004576313	1	31	-1.0	-42.95	271.50	6.08	-36.87
CN(C(=O)COC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004576314	0	26	-1.0	-47.51	242.56	3.37	-44.14
CN(C(=O)COC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004576314	1	26	-1.0	-47.45	242.70	3.35	-44.10
CN(C(=O)CC1COCC(C)(C)O1)C1=N[N-]N=N1	REAL250004576315	0	34	-1.0	-51.99	272.28	4.21	-47.78
CN(C(=O)CC1COCC(C)(C)O1)C1=NN=N[N-]1	REAL250004576315	1	34	-1.0	-52.10	272.15	4.23	-47.87
CN(C(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL250004576316	0	31	-1.0	-55.43	274.86	4.33	-51.10
CN(C(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL250004576316	1	31	-1.0	-55.35	275.00	4.32	-51.03
CN(C(=O)CCCCC(F)(F)F)C1=N[N-]N=N1	REAL250004576317	0	28	-1.0	-47.06	252.48	5.70	-41.36
CN(C(=O)CCCCC(F)(F)F)C1=NN=N[N-]1	REAL250004576317	1	28	-1.0	-47.13	252.35	5.73	-41.40
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=CN=CC=C12	REAL250004576318	0	32	-1.0	-51.29	271.02	4.76	-46.53
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=CN=CC=C12	REAL250004576318	1	32	-1.0	-51.24	271.17	4.75	-46.49
CN(C(=O)C(F)(F)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004576319	0	26	-1.0	-41.37	237.34	3.40	-37.97
CN(C(=O)C(F)(F)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004576319	1	26	-1.0	-41.32	237.47	3.36	-37.96
COC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576320	0	29	-1.0	-41.21	263.91	2.63	-38.58
COC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576320	1	29	-1.0	-41.13	264.05	2.60	-38.53
CN(C(=O)C(F)(F)C1=CSC=N1)C1=NN=N[N-]1	REAL250004576321	0	22	-1.0	-46.61	220.65	3.61	-43.00
CN(C(=O)C(F)(F)C1=CSC=N1)C1=N[N-]N=N1	REAL250004576321	1	22	-1.0	-46.54	220.78	3.59	-42.95
CN(C(=O)C1=CC=CC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004576322	0	34	-1.0	-48.86	273.79	6.57	-42.29
CN(C(=O)C1=CC=CC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004576322	1	34	-1.0	-48.83	273.92	6.56	-42.27
CN(C(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=NN=N[N-]1	REAL250004576323	0	28	-1.0	-46.84	253.57	7.80	-39.04
CN(C(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=N[N-]N=N1	REAL250004576323	1	28	-1.0	-46.77	253.72	7.78	-38.99
CN(C(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004576324	0	29	-1.0	-62.54	261.41	-1.94	-64.48
CN(C(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004576324	1	29	-1.0	-62.49	261.56	-1.96	-64.45
CC1=NC2=C(CCCC2CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004576325	0	35	-1.0	-56.17	284.09	4.75	-51.42
CC1=NC2=C(CCCC2CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004576325	1	35	-1.0	-56.23	283.95	4.78	-51.45
CCCCCC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576326	0	41	-1.0	-47.66	337.25	9.74	-37.92
CCCCCC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576326	1	41	-1.0	-47.71	337.11	9.77	-37.94
CN(C(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=N[N-]N=N1	REAL250004576327	0	31	-1.0	-32.86	266.86	5.89	-26.97
CN(C(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NN=N[N-]1	REAL250004576327	1	31	-1.0	-32.91	266.71	5.90	-27.01
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576328	0	38	-1.0	-54.57	312.92	7.92	-46.65
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576328	1	38	-1.0	-54.66	312.78	7.94	-46.72
CCCCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576329	0	31	-1.0	-45.46	273.19	5.10	-40.36
CCCCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576329	1	31	-1.0	-45.54	273.04	5.12	-40.42
CN(C(=O)C1=CN=C(COC(C)(C)C)S1)C1=N[N-]N=N1	REAL250004576330	0	35	-1.0	-45.28	299.25	3.87	-41.41
CN(C(=O)C1=CN=C(COC(C)(C)C)S1)C1=NN=N[N-]1	REAL250004576330	1	35	-1.0	-45.32	299.10	3.88	-41.44
CC(=O)N1CSC[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576331	0	28	-1.0	-58.89	242.38	4.41	-54.48
CC(=O)N1CSC[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576331	1	28	-1.0	-58.99	242.24	4.43	-54.56
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCCCO1	REAL250004576332	0	34	-1.0	-48.47	258.87	3.73	-44.74
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCCCO1	REAL250004576332	1	34	-1.0	-48.58	258.73	3.74	-44.84
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)(F)F	REAL250004576333	0	29	-1.0	-52.83	255.80	6.41	-46.42
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)(F)F	REAL250004576333	1	29	-1.0	-52.90	255.67	6.41	-46.49
CN(C(=O)[C@]12CCO[C@@H]1CCCCC2)C1=N[N-]N=N1	REAL250004576334	0	37	-1.0	-50.80	249.36	4.11	-46.69
CN(C(=O)[C@]12CCO[C@@H]1CCCCC2)C1=NN=N[N-]1	REAL250004576334	1	37	-1.0	-50.89	249.21	4.12	-46.77
CN(C(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NN=N[N-]1	REAL250004576335	0	36	-1.0	-50.53	284.64	6.88	-43.65
CN(C(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=N[N-]N=N1	REAL250004576335	1	36	-1.0	-50.40	284.77	6.86	-43.54
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004576336	0	30	-1.0	-51.88	268.91	7.38	-44.50
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004576336	1	30	-1.0	-51.95	268.77	7.40	-44.55
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=N1	REAL250004576337	0	26	-1.0	-46.72	246.29	2.11	-44.61
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=N1	REAL250004576337	1	26	-1.0	-46.65	246.42	2.10	-44.55
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2CCCCC2=N1	REAL250004576338	0	35	-1.0	-45.73	276.43	6.17	-39.56
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2CCCCC2=N1	REAL250004576338	1	35	-1.0	-45.66	276.57	6.18	-39.48
CC[C@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004576339	0	42	-1.0	-53.87	329.55	4.55	-49.32
CC[C@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004576339	1	42	-1.0	-53.95	329.42	4.58	-49.37
CC[C@@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004576340	0	42	-1.0	-53.86	329.55	4.55	-49.31
CC[C@@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004576340	1	42	-1.0	-53.99	329.42	4.58	-49.41
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576341	0	37	-1.0	-48.08	304.21	4.59	-43.49
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576341	1	37	-1.0	-47.99	304.36	4.58	-43.41
CN(C(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004576342	0	34	-1.0	-48.26	282.66	3.72	-44.54
CN(C(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004576342	1	34	-1.0	-48.22	282.79	3.70	-44.52
CC1=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=NN1C	REAL250004576343	0	37	-1.0	-46.91	298.58	4.09	-42.82
CC1=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=NN1C	REAL250004576343	1	37	-1.0	-47.03	298.44	4.10	-42.93
CN(C(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004576344	0	37	-1.0	-48.50	286.99	4.47	-44.03
CN(C(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004576344	1	37	-1.0	-48.58	286.85	4.49	-44.09
CN(C(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004576345	0	32	-1.0	-45.89	278.16	4.72	-41.17
CN(C(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004576345	1	32	-1.0	-45.94	278.02	4.72	-41.22
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C(C)C)O1	REAL250004576346	0	38	-1.0	-46.43	310.54	7.46	-38.97
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C(C)C)O1	REAL250004576346	1	38	-1.0	-46.55	310.40	7.47	-39.08
CN(C(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576347	0	31	-1.0	-52.97	273.36	4.82	-48.15
CN(C(=O)CN1N=NN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576347	1	31	-1.0	-52.89	273.50	4.79	-48.10
CN(C(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004576348	0	30	-1.0	-46.93	267.87	4.30	-42.63
CN(C(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004576348	1	30	-1.0	-46.87	268.01	4.29	-42.58
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)O2)N1	REAL250004576349	0	30	-1.0	-44.24	274.52	4.11	-40.13
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)O2)N1	REAL250004576349	1	30	-1.0	-44.19	274.67	4.09	-40.10
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576350	0	33	-1.0	-49.14	276.12	5.75	-43.39
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576350	1	33	-1.0	-49.26	275.99	5.78	-43.48
CN(C(=O)C1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004576351	0	26	-1.0	-49.03	237.17	4.04	-44.99
CN(C(=O)C1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004576351	1	26	-1.0	-49.09	237.02	4.06	-45.03
CN(C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004576352	0	32	-1.0	-47.96	277.21	7.88	-40.08
CN(C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004576352	1	32	-1.0	-48.02	277.08	7.90	-40.12
CN(C(=O)C1=CC=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004576353	0	26	-1.0	-47.90	242.30	5.88	-42.02
CN(C(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004576353	1	26	-1.0	-47.94	242.15	5.87	-42.07
CC(C)CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576354	0	31	-1.0	-45.62	268.39	4.79	-40.83
CC(C)CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576354	1	31	-1.0	-45.72	268.25	4.81	-40.91
CN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004576355	0	38	-1.0	-55.94	300.43	7.24	-48.70
CN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004576355	1	38	-1.0	-56.06	300.30	7.26	-48.80
CN(C(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576356	0	31	-1.0	-48.38	262.98	4.75	-43.63
CN(C(=O)C1=CN=C2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576356	1	31	-1.0	-48.31	263.12	4.74	-43.57
CN(C(=O)C1=CC=C(C(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004576357	0	26	-1.0	-44.62	241.46	5.87	-38.75
CN(C(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004576357	1	26	-1.0	-44.72	241.32	5.86	-38.86
CN(C(=O)C1=CSC(C2CCCCC2)=C1)C1=N[N-]N=N1	REAL250004576358	0	36	-1.0	-46.22	297.82	7.95	-38.27
CN(C(=O)C1=CSC(C2CCCCC2)=C1)C1=NN=N[N-]1	REAL250004576358	1	36	-1.0	-46.33	297.67	7.99	-38.34
CN(C(=O)C1=CN=C(CC(C)(C)C)S1)C1=N[N-]N=N1	REAL250004576359	0	34	-1.0	-45.78	285.10	5.36	-40.42
CN(C(=O)C1=CN=C(CC(C)(C)C)S1)C1=NN=N[N-]1	REAL250004576359	1	34	-1.0	-45.83	284.95	5.38	-40.45
COC(=O)C1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576360	0	32	-1.0	-49.17	276.65	6.26	-42.91
COC(=O)C1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576360	1	32	-1.0	-49.08	276.78	6.25	-42.83
COC12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)CC2	REAL250004576361	0	37	-1.0	-29.53	263.63	4.43	-25.10
COC12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)CC2	REAL250004576361	1	37	-1.0	-29.59	263.50	4.45	-25.14
CC(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576362	0	28	-1.0	-54.25	247.81	3.25	-51.00
CC(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576362	1	28	-1.0	-54.35	247.67	3.29	-51.06
CN(C(=O)C1=CC=C2SC=NC2=C1)C1=NN=N[N-]1	REAL250004576363	0	25	-1.0	-50.52	234.10	4.30	-46.22
CN(C(=O)C1=CC=C2SC=NC2=C1)C1=N[N-]N=N1	REAL250004576363	1	25	-1.0	-50.43	234.24	4.29	-46.14
CN(C(=O)C=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004576364	0	27	-1.0	-50.57	253.18	6.89	-43.68
CN(C(=O)C=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004576364	1	27	-1.0	-50.65	253.03	6.91	-43.74
CN(C(=O)C=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL250004576365	0	24	-1.0	-45.60	243.20	5.38	-40.22
CN(C(=O)C=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL250004576365	1	24	-1.0	-45.66	243.05	5.40	-40.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL250004576366	0	35	-1.0	-48.85	292.02	6.36	-42.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL250004576366	1	35	-1.0	-48.78	292.16	6.35	-42.43
CSC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576367	0	33	-1.0	-46.71	291.48	7.81	-38.90
CSC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576367	1	33	-1.0	-46.79	291.34	7.83	-38.96
CC1=NC=C([N+](=O)[O-])N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004576368	0	28	-1.0	-51.73	257.33	6.21	-45.52
CC1=NC=C([N+](=O)[O-])N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004576368	1	28	-1.0	-51.83	257.20	6.23	-45.60
CN(C(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL250004576369	0	32	-1.0	-53.77	282.09	4.48	-49.29
CN(C(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL250004576369	1	32	-1.0	-53.72	282.22	4.49	-49.23
CN(C(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004576370	0	28	-1.0	-52.10	258.75	0.43	-51.67
CN(C(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004576370	1	28	-1.0	-52.05	258.88	0.43	-51.62
COC1=CC(C#N)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576371	0	28	-1.0	-50.51	254.06	5.23	-45.28
COC1=CC(C#N)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576371	1	28	-1.0	-50.43	254.20	5.22	-45.21
CN(C(=O)C1=NN2CCCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576372	0	32	-1.0	-51.48	270.83	4.83	-46.65
CN(C(=O)C1=NN2CCCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576372	1	32	-1.0	-51.52	270.69	4.84	-46.68
CCCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004576373	0	31	-1.0	-64.54	275.85	2.47	-62.07
CCCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004576373	1	31	-1.0	-64.61	275.72	2.50	-62.11
CN(C(=O)COC1CCCCCC1)C1=N[N-]N=N1	REAL250004576374	0	36	-1.0	-49.43	278.69	6.43	-43.00
CN(C(=O)COC1CCCCCC1)C1=NN=N[N-]1	REAL250004576374	1	36	-1.0	-49.50	278.55	6.46	-43.04
CN(C(=O)C1=CC=CC2=C1CCCCC2)C1=NN=N[N-]1	REAL250004576375	0	36	-1.0	-49.92	276.42	7.78	-42.14
CN(C(=O)C1=CC=CC2=C1CCCCC2)C1=N[N-]N=N1	REAL250004576375	1	36	-1.0	-49.83	276.55	7.77	-42.06
COC1(C(=O)N(C)C2=N[N-]N=N2)CCCCCC1	REAL250004576376	0	36	-1.0	-44.51	258.31	5.15	-39.36
COC1(C(=O)N(C)C2=NN=N[N-]2)CCCCCC1	REAL250004576376	1	36	-1.0	-44.58	258.17	5.15	-39.43
CC(=O)NC(C)(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004576377	0	35	-1.0	-43.38	262.15	3.79	-39.59
CC(=O)NC(C)(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004576377	1	35	-1.0	-43.43	262.02	3.80	-39.63
CN(C(=O)C1=CC=CC=C1C1CCC1)C1=NN=N[N-]1	REAL250004576378	0	33	-1.0	-50.37	266.65	7.51	-42.86
CN(C(=O)C1=CC=CC=C1C1CCC1)C1=N[N-]N=N1	REAL250004576378	1	33	-1.0	-50.28	266.79	7.49	-42.79
CN(C(=O)CC1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004576379	0	29	-1.0	-57.37	271.31	5.10	-52.27
CN(C(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004576379	1	29	-1.0	-57.43	271.17	5.13	-52.30
CN(C(=O)C1=CC=CC=C1N1C=CC=C1)C1=NN=N[N-]1	REAL250004576380	0	31	-1.0	-53.15	269.04	7.97	-45.18
CN(C(=O)C1=CC=CC=C1N1C=CC=C1)C1=N[N-]N=N1	REAL250004576380	1	31	-1.0	-53.06	269.18	7.96	-45.10
CN(C(=O)C1=CC=NC=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004576381	0	35	-1.0	-47.93	285.57	2.68	-45.25
CN(C(=O)C1=CC=NC=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004576381	1	35	-1.0	-47.91	285.70	2.68	-45.23
CCOC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004576382	0	36	-1.0	-58.71	305.25	7.56	-51.15
CCOC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004576382	1	36	-1.0	-58.61	305.39	7.54	-51.07
CN(C(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576383	0	35	-1.0	-33.40	270.91	6.75	-26.65
CN(C(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576383	1	35	-1.0	-33.44	270.74	6.75	-26.69
CN(C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL250004576384	0	33	-1.0	-47.05	269.42	7.40	-39.65
CN(C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL250004576384	1	33	-1.0	-47.01	269.56	7.42	-39.59
CC(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576385	0	32	-1.0	-45.97	273.79	6.66	-39.31
CC(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576385	1	32	-1.0	-46.07	273.64	6.69	-39.38
CN(C(=O)CCC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004576386	0	37	-1.0	-47.52	304.97	7.41	-40.11
CN(C(=O)CCC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004576386	1	37	-1.0	-47.61	304.83	7.44	-40.17
CC1=NN(C2=CC=CC=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576387	0	33	-1.0	-48.59	279.07	6.54	-42.05
CC1=NN(C2=CC=CC=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576387	1	33	-1.0	-48.55	279.20	6.53	-42.02
CN(C(=O)C1=CC=C(OC2CC2)C=C1)C1=NN=N[N-]1	REAL250004576388	0	31	-1.0	-46.96	264.04	5.91	-41.05
CN(C(=O)C1=CC=C(OC2CC2)C=C1)C1=N[N-]N=N1	REAL250004576388	1	31	-1.0	-46.90	264.19	5.89	-41.01
CN(C(=O)C1=NC=CC2=NC=NC=C21)C1=NN=N[N-]1	REAL250004576389	0	26	-1.0	-45.53	239.54	3.30	-42.23
CN(C(=O)C1=NC=CC2=NC=NC=C21)C1=N[N-]N=N1	REAL250004576389	1	26	-1.0	-45.46	239.68	3.29	-42.17
CN(C(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NN=N[N-]1	REAL250004576390	0	32	-1.0	-51.30	271.42	6.61	-44.69
CN(C(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=N[N-]N=N1	REAL250004576390	1	32	-1.0	-51.23	271.56	6.64	-44.59
COC1=C(Cl)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576391	0	27	-1.0	-50.37	253.26	5.45	-44.92
COC1=C(Cl)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576391	1	27	-1.0	-50.29	253.39	5.44	-44.85
CN(C(=O)C1=CN=C2SCCN12)C1=NN=N[N-]1	REAL250004576392	0	25	-1.0	-47.17	227.79	4.08	-43.09
CN(C(=O)C1=CN=C2SCCN12)C1=N[N-]N=N1	REAL250004576392	1	25	-1.0	-47.08	227.86	4.06	-43.02
CN(C(=O)C1=CC(C#N)=C2CCCCN12)C1=NN=N[N-]1	REAL250004576393	0	32	-1.0	-45.76	268.48	6.48	-39.28
CN(C(=O)C1=CC(C#N)=C2CCCCN12)C1=N[N-]N=N1	REAL250004576393	1	32	-1.0	-45.66	268.62	6.46	-39.20
CN(C(=O)CC1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004576394	0	26	-1.0	-48.71	247.51	4.00	-44.71
CN(C(=O)CC1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004576394	1	26	-1.0	-48.75	247.37	4.04	-44.71
CC1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004576395	0	29	-1.0	-47.46	272.92	5.78	-41.68
CC1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004576395	1	29	-1.0	-47.51	272.78	5.80	-41.71
CC1=CC(C(=O)C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004576396	0	28	-1.0	-39.33	249.44	5.89	-33.44
CC1=CC(C(=O)C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004576396	1	28	-1.0	-39.26	249.56	5.87	-33.39
CN(C(=O)C(CC1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL250004576397	0	36	-1.0	-45.91	288.07	8.16	-37.75
CN(C(=O)C(CC1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL250004576397	1	36	-1.0	-45.92	287.93	8.17	-37.75
CN(C(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004576398	0	28	-1.0	-50.21	264.38	4.96	-45.25
CN(C(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004576398	1	28	-1.0	-50.12	264.52	4.94	-45.18
CN(C(=O)CN1N=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576399	0	33	-1.0	-52.93	282.47	6.40	-46.53
CN(C(=O)CN1N=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576399	1	33	-1.0	-52.86	282.61	6.37	-46.49
CN(C(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=N[N-]N=N1	REAL250004576400	0	37	-1.0	-33.39	280.35	7.82	-25.57
CN(C(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=NN=N[N-]1	REAL250004576400	1	37	-1.0	-33.45	280.28	7.84	-25.61
CN(C(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=NN=N[N-]1	REAL250004576401	0	29	-1.0	-48.51	262.69	4.78	-43.73
CN(C(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=N[N-]N=N1	REAL250004576401	1	29	-1.0	-48.40	262.83	4.76	-43.64
CN(C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004576402	0	25	-1.0	-40.10	248.59	4.59	-35.51
CN(C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004576402	1	25	-1.0	-40.09	248.73	4.56	-35.53
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004576403	0	25	-1.0	-40.15	249.10	5.18	-34.97
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004576403	1	25	-1.0	-40.21	248.97	5.17	-35.04
CC1=CN=C2C(=C1)C=NN2CC(=O)N(C)C1=NN=N[N-]1	REAL250004576404	0	31	-1.0	-56.30	274.74	5.37	-50.93
CC1=CN=C2C(=C1)C=NN2CC(=O)N(C)C1=N[N-]N=N1	REAL250004576404	1	31	-1.0	-56.20	274.87	5.35	-50.85
CN(C(=O)C1=CN(CC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL250004576405	0	37	-1.0	-49.38	299.55	4.85	-44.53
CN(C(=O)C1=CN(CC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL250004576405	1	37	-1.0	-49.32	299.70	4.82	-44.50
CN(C(=O)C1=CSC2=C1CCCCCC2)C1=N[N-]N=N1	REAL250004576406	0	36	-1.0	-48.37	280.10	7.46	-40.91
CN(C(=O)C1=CSC2=C1CCCCCC2)C1=NN=N[N-]1	REAL250004576406	1	36	-1.0	-48.46	279.96	7.48	-40.98
CN(C(=O)C1=CSC2=C1CCC(C)(C)C2)C1=N[N-]N=N1	REAL250004576407	0	36	-1.0	-48.14	290.38	7.51	-40.63
CN(C(=O)C1=CSC2=C1CCC(C)(C)C2)C1=NN=N[N-]1	REAL250004576407	1	36	-1.0	-48.31	290.06	7.53	-40.78
CC1=CC=CN2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004576408	0	29	-1.0	-51.41	254.15	5.89	-45.52
CC1=CC=CN2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004576408	1	29	-1.0	-51.33	254.29	5.88	-45.45
CN(C(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576409	0	31	-1.0	-53.72	262.58	3.38	-50.34
CN(C(=O)C1=CC=C2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576409	1	31	-1.0	-53.64	262.71	3.40	-50.24
CN(C(=O)C1=CN=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL250004576410	0	28	-1.0	-45.49	247.00	2.98	-42.51
CN(C(=O)C1=CN=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL250004576410	1	28	-1.0	-45.47	247.13	2.97	-42.50
CC1=CC2=CC=NC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576411	0	31	-1.0	-52.99	264.63	6.05	-46.94
CC1=CC2=CC=NC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576411	1	31	-1.0	-52.89	264.77	6.03	-46.86
CN(C(=O)CCOCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004576412	0	39	-1.0	-46.48	315.17	4.40	-42.08
CN(C(=O)CCOCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004576412	1	39	-1.0	-46.58	315.03	4.43	-42.15
CN(C(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004576413	0	31	-1.0	-50.38	262.85	4.10	-46.28
CN(C(=O)C1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004576413	1	31	-1.0	-50.32	262.97	4.12	-46.20
CC1=CC=CN2C(CC(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004576414	0	32	-1.0	-55.18	277.80	6.94	-48.24
CC1=CC=CN2C(CC(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004576414	1	32	-1.0	-55.27	277.67	6.98	-48.29
CN(C(=O)COC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004576415	0	34	-1.0	-50.80	269.62	3.99	-46.81
CN(C(=O)COC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004576415	1	34	-1.0	-50.88	269.49	4.02	-46.86
CN(C(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004576416	0	32	-1.0	-58.37	290.55	3.50	-54.87
CN(C(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004576416	1	32	-1.0	-58.45	290.42	3.52	-54.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004576417	0	33	-1.0	-50.70	294.18	7.71	-42.99
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004576417	1	33	-1.0	-50.65	294.32	7.68	-42.97
CC(=O)N[C@@H](C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004576418	0	35	-1.0	-43.34	270.69	3.31	-40.03
CC(=O)N[C@@H](C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004576418	1	35	-1.0	-43.39	270.55	3.33	-40.06
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CCCCC2)=NO1	REAL250004576419	0	38	-1.0	-43.34	312.74	7.33	-36.01
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004576419	1	38	-1.0	-43.41	312.59	7.34	-36.07
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004576420	0	35	-1.0	-43.18	294.69	6.71	-36.47
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004576420	1	35	-1.0	-43.23	294.54	6.72	-36.51
CN(C(=O)C1(C2=CN(C)N=C2)CCCO1)C1=NN=N[N-]1	REAL250004576421	0	34	-1.0	-51.18	280.14	4.11	-47.07
CN(C(=O)C1(C2=CN(C)N=C2)CCCO1)C1=N[N-]N=N1	REAL250004576421	1	34	-1.0	-51.13	280.28	4.10	-47.03
COC(=O)CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=CO1	REAL250004576422	0	32	-1.0	-53.30	289.66	5.48	-47.82
COC(=O)CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=CO1	REAL250004576422	1	32	-1.0	-53.33	289.52	5.49	-47.84
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL250004576423	0	33	-1.0	-54.05	262.79	6.53	-47.52
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL250004576423	1	33	-1.0	-54.13	262.66	6.55	-47.58
CN(C(=O)C1=NN(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004576424	0	23	-1.0	-46.45	238.87	4.27	-42.18
CN(C(=O)C1=NN(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004576424	1	23	-1.0	-46.39	239.01	4.26	-42.13
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004576425	0	34	-1.0	-48.42	288.49	6.67	-41.75
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004576425	1	34	-1.0	-48.39	288.62	6.67	-41.72
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004576426	0	36	-1.0	-42.35	276.62	6.21	-36.14
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004576426	1	36	-1.0	-42.43	276.49	6.22	-36.21
CN(C(=O)C1(C2CCCO2)CCCO1)C1=N[N-]N=N1	REAL250004576427	0	35	-1.0	-46.77	267.49	4.29	-42.48
CN(C(=O)C1(C2CCCO2)CCCO1)C1=NN=N[N-]1	REAL250004576427	1	35	-1.0	-46.83	267.36	4.30	-42.53
CN(C(=O)C=CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004576428	0	27	-1.0	-49.88	250.83	6.58	-43.30
CN(C(=O)C=CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004576428	1	27	-1.0	-49.95	250.69	6.58	-43.37
CN(C(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004576429	0	27	-1.0	-45.70	248.78	4.58	-41.12
CN(C(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004576429	1	27	-1.0	-45.76	248.66	4.56	-41.20
CN(C(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NN=N[N-]1	REAL250004576430	0	36	-1.0	-54.61	283.87	6.76	-47.85
CN(C(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=N[N-]N=N1	REAL250004576430	1	36	-1.0	-54.56	284.00	6.73	-47.83
COCC1(CC(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004576431	0	36	-1.0	-46.21	279.57	5.22	-40.99
COCC1(CC(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004576431	1	36	-1.0	-46.31	279.43	5.24	-41.07
CN(C(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NN=N[N-]1	REAL250004576432	0	34	-1.0	-46.65	285.68	5.83	-40.82
CN(C(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=N[N-]N=N1	REAL250004576432	1	34	-1.0	-46.56	285.83	5.84	-40.72
CN(C(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NN=N[N-]1	REAL250004576433	0	33	-1.0	-55.68	282.76	6.60	-49.08
CN(C(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=N[N-]N=N1	REAL250004576433	1	33	-1.0	-55.62	282.90	6.60	-49.02
CN(C(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL250004576434	0	29	-1.0	-51.16	263.69	1.47	-49.69
CN(C(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL250004576434	1	29	-1.0	-51.05	263.83	1.47	-49.58
CN(C(=O)C1(C2=CC=CC=C2)CCCCO1)C1=NN=N[N-]1	REAL250004576435	0	37	-1.0	-46.57	279.14	6.59	-39.98
CN(C(=O)C1(C2=CC=CC=C2)CCCCO1)C1=N[N-]N=N1	REAL250004576435	1	37	-1.0	-46.48	279.28	6.58	-39.90
CN(C(=O)C1=CC(C2CCOCC2)=NN1C)C1=N[N-]N=N1	REAL250004576436	0	37	-1.0	-43.67	295.07	4.08	-39.59
CN(C(=O)C1=CC(C2CCOCC2)=NN1C)C1=NN=N[N-]1	REAL250004576436	1	37	-1.0	-43.70	294.93	4.08	-39.62
COC(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576437	0	31	-1.0	-45.96	266.38	4.31	-41.65
COC(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576437	1	31	-1.0	-45.88	266.51	4.29	-41.59
CC(=O)NC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576438	0	36	-1.0	-36.86	281.86	4.36	-32.50
CC(=O)NC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576438	1	36	-1.0	-36.91	281.73	4.38	-32.53
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576439	0	32	-1.0	-45.76	269.73	3.95	-41.81
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576439	1	32	-1.0	-45.69	269.87	3.94	-41.75
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL250004576440	0	31	-1.0	-44.55	267.31	6.31	-38.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL250004576440	1	31	-1.0	-44.50	267.44	6.30	-38.20
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC(F)F	REAL250004576441	0	30	-1.0	-53.53	262.41	5.24	-48.29
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC(F)F	REAL250004576441	1	30	-1.0	-53.61	262.27	5.23	-48.38
C=CCCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576442	0	36	-1.0	-48.22	300.32	8.46	-39.76
C=CCCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576442	1	36	-1.0	-48.09	300.46	8.47	-39.62
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004576443	0	32	-1.0	-46.66	274.39	7.61	-39.05
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004576443	1	32	-1.0	-46.55	274.53	7.58	-38.97
C[C@H](CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576444	0	38	-1.0	-46.84	282.87	7.19	-39.65
C[C@H](CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576444	1	38	-1.0	-46.94	282.73	7.21	-39.73
CN(C(=O)CC1=CC=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL250004576445	0	32	-1.0	-51.71	279.09	5.98	-45.73
CN(C(=O)CC1=CC=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL250004576445	1	32	-1.0	-51.65	279.22	5.96	-45.69
CC1=CC(COCC(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004576446	0	29	-1.0	-51.53	260.52	4.51	-47.02
CC1=CC(COCC(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004576446	1	29	-1.0	-51.61	260.38	4.53	-47.08
CC1=CC=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004576447	0	31	-1.0	-46.59	263.52	6.03	-40.56
CC1=CC=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004576447	1	31	-1.0	-46.52	263.66	6.03	-40.49
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576448	0	34	-1.0	-48.91	285.85	6.30	-42.61
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576448	1	34	-1.0	-49.01	285.71	6.30	-42.71
CC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=NC=C1Cl	REAL250004576449	0	28	-1.0	-52.26	259.09	5.45	-46.81
CC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=NC=C1Cl	REAL250004576449	1	28	-1.0	-52.34	258.96	5.48	-46.86
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576450	0	32	-1.0	-45.92	276.97	6.27	-39.65
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576450	1	32	-1.0	-45.81	277.11	6.26	-39.55
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004576451	0	29	-1.0	-46.36	274.01	6.09	-40.27
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004576451	1	29	-1.0	-46.47	273.88	6.08	-40.39
CC1=CC(Cl)=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576452	0	29	-1.0	-44.84	264.76	6.70	-38.14
CC1=CC(Cl)=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576452	1	29	-1.0	-44.76	264.90	6.69	-38.07
CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576453	0	36	-1.0	-48.69	281.62	3.97	-44.72
CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576453	1	36	-1.0	-48.79	281.49	4.01	-44.78
CN(C(=O)C1CC2(C1)CC1(CCC1)C2)C1=N[N-]N=N1	REAL250004576454	0	37	-1.0	-46.61	292.75	7.90	-38.71
CN(C(=O)C1CC2(C1)CC1(CCC1)C2)C1=NN=N[N-]1	REAL250004576454	1	37	-1.0	-46.66	292.62	7.92	-38.74
CN(C(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=NN=N[N-]1	REAL250004576455	0	32	-1.0	-46.60	279.80	6.53	-40.07
CN(C(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=N[N-]N=N1	REAL250004576455	1	32	-1.0	-46.56	279.94	6.52	-40.04
CN(C(=O)C1=C2SC=CC2=NC=C1)C1=NN=N[N-]1	REAL250004576456	0	25	-1.0	-48.56	236.04	4.47	-44.09
CN(C(=O)C1=C2SC=CC2=NC=C1)C1=N[N-]N=N1	REAL250004576456	1	25	-1.0	-48.47	236.17	4.47	-44.00
CN(C(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=NN=N[N-]1	REAL250004576457	0	33	-1.0	-49.65	276.76	4.09	-45.56
CN(C(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=N[N-]N=N1	REAL250004576457	1	33	-1.0	-49.61	276.90	4.08	-45.53
CN(C(=O)C1(C(C)(F)F)CCOCC1)C1=N[N-]N=N1	REAL250004576458	0	33	-1.0	-43.94	250.11	3.70	-40.24
CN(C(=O)C1(C(C)(F)F)CCOCC1)C1=NN=N[N-]1	REAL250004576458	1	33	-1.0	-43.99	249.97	3.69	-40.30
CN(C(=O)C1(C2CCCO2)CCC1)C1=N[N-]N=N1	REAL250004576459	0	34	-1.0	-51.17	259.78	5.00	-46.17
CN(C(=O)C1(C2CCCO2)CCC1)C1=NN=N[N-]1	REAL250004576459	1	34	-1.0	-51.24	259.64	5.00	-46.24
CN(C(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=N[N-]N=N1	REAL250004576460	0	34	-1.0	-51.34	258.87	2.41	-48.93
CN(C(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=NN=N[N-]1	REAL250004576460	1	34	-1.0	-51.45	258.73	2.43	-49.02
CN(C(=O)C1(C2CCCCO2)CCCO1)C1=N[N-]N=N1	REAL250004576461	0	38	-1.0	-52.73	279.67	4.85	-47.88
CN(C(=O)C1(C2CCCCO2)CCCO1)C1=NN=N[N-]1	REAL250004576461	1	38	-1.0	-52.79	279.53	4.88	-47.91
CN(C(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=NN=N[N-]1	REAL250004576462	0	28	-1.0	-49.32	256.10	3.87	-45.45
CN(C(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=N[N-]N=N1	REAL250004576462	1	28	-1.0	-49.27	256.24	3.86	-45.41
CN(C(=O)C1=C(S(C)(=O)=O)SC=C1)C1=N[N-]N=N1	REAL250004576463	0	26	-1.0	-54.14	250.32	2.42	-51.72
CN(C(=O)C1=C(S(C)(=O)=O)SC=C1)C1=NN=N[N-]1	REAL250004576463	1	26	-1.0	-54.20	250.18	2.43	-51.77
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004576464	0	29	-1.0	-44.84	274.73	6.10	-38.74
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004576464	1	29	-1.0	-44.75	274.88	6.07	-38.68
CN(C(=O)C1=CC=C(C2CCC2)N=C1)C1=NN=N[N-]1	REAL250004576465	0	32	-1.0	-44.86	264.12	5.60	-39.26
CN(C(=O)C1=CC=C(C2CCC2)N=C1)C1=N[N-]N=N1	REAL250004576465	1	32	-1.0	-44.78	264.28	5.60	-39.18
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=N1	REAL250004576466	0	26	-1.0	-43.26	242.25	5.35	-37.91
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=N1	REAL250004576466	1	26	-1.0	-43.18	242.40	5.35	-37.83
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004576467	0	32	-1.0	-31.76	275.97	7.57	-24.19
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004576467	1	32	-1.0	-31.81	275.85	7.59	-24.22
CC1=CC=C2SC(C(=O)N(C)C3=N[N-]N=N3)CC2=C1	REAL250004576468	0	31	-1.0	-47.64	273.59	7.44	-40.20
CC1=CC=C2SC(C(=O)N(C)C3=NN=N[N-]3)CC2=C1	REAL250004576468	1	31	-1.0	-47.72	273.46	7.45	-40.27
CN(C(=O)CC1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004576469	0	36	-1.0	-47.81	295.63	8.55	-39.26
CN(C(=O)CC1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004576469	1	36	-1.0	-47.88	295.49	8.59	-39.29
CN(C(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004576470	0	31	-1.0	-45.72	270.97	7.13	-38.59
CN(C(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004576470	1	31	-1.0	-45.66	271.11	7.12	-38.54
CC1=CC(C2CC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576471	0	32	-1.0	-45.11	267.19	5.79	-39.32
CC1=CC(C2CC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576471	1	32	-1.0	-45.04	267.32	5.79	-39.25
CN(C(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004576472	0	30	-1.0	-54.14	256.46	1.97	-52.17
CN(C(=O)C1=CC=C2CNC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004576472	1	30	-1.0	-54.11	256.60	1.97	-52.14
CN(C(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NN=N[N-]1	REAL250004576473	0	36	-1.0	-52.88	289.36	6.91	-45.97
CN(C(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=N[N-]N=N1	REAL250004576473	1	36	-1.0	-52.80	289.49	6.88	-45.92
CC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576474	0	35	-1.0	-46.14	286.11	7.88	-38.26
CC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576474	1	35	-1.0	-46.21	285.97	7.90	-38.31
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)N(C)C2=C1	REAL250004576475	0	34	-1.0	-48.22	280.22	5.83	-42.39
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)N(C)C2=C1	REAL250004576475	1	34	-1.0	-48.11	280.36	5.80	-42.31
CN(C(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004576476	0	26	-1.0	-45.11	243.58	4.16	-40.95
CN(C(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004576476	1	26	-1.0	-45.01	243.73	4.15	-40.86
CN(C(=O)C1=CN(C2CC2(F)F)N=C1)C1=NN=N[N-]1	REAL250004576477	0	27	-1.0	-49.42	244.40	4.32	-45.10
CN(C(=O)C1=CN(C2CC2(F)F)N=C1)C1=N[N-]N=N1	REAL250004576477	1	27	-1.0	-49.36	244.54	4.29	-45.07
CN(C(=O)C1=C2C(=CC=C1)N=NN2C)C1=NN=N[N-]1	REAL250004576478	0	28	-1.0	-47.59	242.53	3.24	-44.35
CN(C(=O)C1=C2C(=CC=C1)N=NN2C)C1=N[N-]N=N1	REAL250004576478	1	28	-1.0	-47.50	242.67	3.23	-44.27
CC1=CC=C(C)C(C(C(=O)N(C)C2=N[N-]N=N2)C(C)C)=C1	REAL250004576479	0	41	-1.0	-49.03	319.20	8.62	-40.41
CC1=CC=C(C)C(C(C(=O)N(C)C2=NN=N[N-]2)C(C)C)=C1	REAL250004576479	1	41	-1.0	-49.12	319.06	8.64	-40.48
CN(C(=O)C1=CN=C(C2CCOC2)S1)C1=N[N-]N=N1	REAL250004576480	0	30	-1.0	-46.27	264.93	2.95	-43.32
CN(C(=O)C1=CN=C(C2CCOC2)S1)C1=NN=N[N-]1	REAL250004576480	1	30	-1.0	-46.34	264.79	2.96	-43.38
CN(C(=O)C1=COC2=C1C(=O)NCC2)C1=NN=N[N-]1	REAL250004576481	0	28	-1.0	-66.90	240.27	3.00	-63.90
CN(C(=O)C1=COC2=C1C(=O)NCC2)C1=N[N-]N=N1	REAL250004576481	1	28	-1.0	-66.84	240.41	2.99	-63.85
CN(C(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL250004576482	0	29	-1.0	-48.68	265.80	4.42	-44.26
CN(C(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL250004576482	1	29	-1.0	-48.60	265.94	4.40	-44.20
CN(C(=O)COCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004576483	0	30	-1.0	-49.83	276.06	6.21	-43.62
CN(C(=O)COCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004576483	1	30	-1.0	-49.93	275.93	6.24	-43.69
CC1=C(C)C2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N=N1	REAL250004576484	0	33	-1.0	-47.02	274.38	5.24	-41.78
CC1=C(C)C2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N=N1	REAL250004576484	1	33	-1.0	-46.94	274.52	5.24	-41.70
COC(C(=O)N(C)C1=N[N-]N=N1)C1CCCOC1	REAL250004576485	0	34	-1.0	-50.50	268.61	3.70	-46.80
COC(C(=O)N(C)C1=NN=N[N-]1)C1CCCOC1	REAL250004576485	1	34	-1.0	-50.60	268.47	3.72	-46.88
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=N[N-]N=N1	REAL250004576486	0	37	-1.0	-50.11	295.62	8.71	-41.40
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NN=N[N-]1	REAL250004576486	1	37	-1.0	-50.19	295.49	8.73	-41.46
CN(C(=O)C1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL250004576487	0	30	-1.0	-50.56	256.70	6.67	-43.89
CN(C(=O)C1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL250004576487	1	30	-1.0	-50.48	256.84	6.68	-43.80
CN(C(=O)C1=C(F)C=C2OC=CC2=C1)C1=NN=N[N-]1	REAL250004576488	0	26	-1.0	-50.82	233.92	5.30	-45.52
CN(C(=O)C1=C(F)C=C2OC=CC2=C1)C1=N[N-]N=N1	REAL250004576488	1	26	-1.0	-50.77	234.06	5.29	-45.48
CC(=O)N[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576489	0	36	-1.0	-54.49	286.05	3.56	-50.93
CC(=O)N[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576489	1	36	-1.0	-54.49	285.91	3.60	-50.89
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576490	0	33	-1.0	-48.05	278.38	7.96	-40.09
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576490	1	33	-1.0	-48.10	278.25	7.98	-40.12
CN(C(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004576491	0	36	-1.0	-52.40	313.98	7.66	-44.74
CN(C(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004576491	1	36	-1.0	-52.28	314.12	7.62	-44.66
CN(C(=O)C1CCCNS1(=O)=O)C1=N[N-]N=N1	REAL250004576492	0	28	-1.0	-54.46	245.33	-0.67	-55.13
CN(C(=O)C1CCCNS1(=O)=O)C1=NN=N[N-]1	REAL250004576492	1	28	-1.0	-54.49	245.20	-0.66	-55.15
CC1OC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C1C	REAL250004576493	0	34	-1.0	-46.89	276.35	6.04	-40.85
CC1OC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C1C	REAL250004576493	1	34	-1.0	-46.87	276.50	6.04	-40.83
CN(C(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004576494	0	29	-1.0	-45.01	261.38	4.68	-40.33
CN(C(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004576494	1	29	-1.0	-45.05	261.24	4.72	-40.33
COC(=O)C1(C)CC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004576495	0	32	-1.0	-54.31	268.69	5.33	-48.98
COC(=O)C1(C)CC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004576495	1	32	-1.0	-54.40	268.55	5.35	-49.05
COC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004576496	0	34	-1.0	-52.48	291.06	5.35	-47.13
COC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004576496	1	34	-1.0	-52.40	291.20	5.31	-47.09
CN(C(=O)C1=C2C(=CC=N1)C=CN2C)C1=NN=N[N-]1	REAL250004576497	0	29	-1.0	-50.58	253.00	4.89	-45.69
CN(C(=O)C1=C2C(=CC=N1)C=CN2C)C1=N[N-]N=N1	REAL250004576497	1	29	-1.0	-50.51	253.14	4.89	-45.62
CC1=CC=CC=C1C(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004576498	0	42	-1.0	-48.73	319.47	9.20	-39.53
CC1=CC=CC=C1C(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004576498	1	42	-1.0	-48.80	319.33	9.20	-39.60
CN(C(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL250004576499	0	32	-1.0	-55.08	280.74	5.08	-50.00
CN(C(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL250004576499	1	32	-1.0	-55.02	280.88	5.05	-49.97
CN(C(=O)C=CC1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004576500	0	27	-1.0	-46.68	256.57	5.77	-40.91
CN(C(=O)C=CC1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004576500	1	27	-1.0	-46.80	256.42	5.78	-41.02
CN(C(=O)CCC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004576501	0	28	-1.0	-47.08	262.83	5.45	-41.63
CN(C(=O)CCC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004576501	1	28	-1.0	-47.00	262.97	5.41	-41.59
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004576502	0	34	-1.0	-45.13	274.30	5.36	-39.77
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004576502	1	34	-1.0	-45.08	274.44	5.36	-39.72
CN(C(=O)C=C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004576503	0	33	-1.0	-45.84	276.98	6.99	-38.85
CN(C(=O)C=C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004576503	1	33	-1.0	-45.96	276.84	7.01	-38.95
CN(C(=O)C=C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004576504	0	38	-1.0	-48.64	280.75	7.80	-40.84
CN(C(=O)C=C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004576504	1	38	-1.0	-48.71	280.61	7.82	-40.89
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004576505	0	32	-1.0	-46.68	287.07	7.95	-38.73
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004576505	1	32	-1.0	-46.83	286.92	7.94	-38.89
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576506	0	32	-1.0	-48.16	285.67	7.56	-40.60
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576506	1	32	-1.0	-48.23	285.52	7.56	-40.67
CC1=CC(Br)=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576507	0	25	-1.0	-45.12	245.83	4.44	-40.68
CC1=CC(Br)=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576507	1	25	-1.0	-45.03	245.97	4.42	-40.61
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004576508	0	32	-1.0	-45.74	279.95	7.24	-38.50
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004576508	1	32	-1.0	-45.83	279.81	7.27	-38.56
CN(C(=O)C1CCCC12CCOCC2)C1=N[N-]N=N1	REAL250004576509	0	37	-1.0	-49.57	271.44	5.00	-44.57
CN(C(=O)C1CCCC12CCOCC2)C1=NN=N[N-]1	REAL250004576509	1	37	-1.0	-49.70	271.31	5.01	-44.69
CN(C(=O)C1=CC2=NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004576510	0	27	-1.0	-47.54	238.72	3.42	-44.12
CN(C(=O)C1=CC2=NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004576510	1	27	-1.0	-47.48	238.86	3.42	-44.06
CN(C(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NN=N[N-]1	REAL250004576511	0	31	-1.0	-52.38	275.90	3.90	-48.48
CN(C(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=N[N-]N=N1	REAL250004576511	1	31	-1.0	-52.31	276.04	3.89	-48.42
CN(C(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NN=N[N-]1	REAL250004576512	0	28	-1.0	-50.72	261.04	5.17	-45.55
CN(C(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=N[N-]N=N1	REAL250004576512	1	28	-1.0	-50.64	261.18	5.16	-45.48
CN(C(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004576513	0	33	-1.0	-48.98	280.94	7.54	-41.44
CN(C(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004576513	1	33	-1.0	-49.05	280.80	7.53	-41.52
CN(C(=O)CC1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004576514	0	31	-1.0	-51.98	270.85	6.36	-45.62
CN(C(=O)CC1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004576514	1	31	-1.0	-51.91	270.99	6.33	-45.58
CN(C(=O)C1=CC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL250004576515	0	33	-1.0	-43.50	267.69	5.26	-38.24
CN(C(=O)C1=CC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL250004576515	1	33	-1.0	-43.41	267.83	5.26	-38.15
CN(C(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=N[N-]N=N1	REAL250004576516	0	23	-1.0	-42.71	246.42	5.93	-36.78
CN(C(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NN=N[N-]1	REAL250004576516	1	23	-1.0	-42.77	246.27	5.93	-36.84
CN(C(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=N[N-]N=N1	REAL250004576517	0	32	-1.0	-47.98	276.70	6.07	-41.91
CN(C(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NN=N[N-]1	REAL250004576517	1	32	-1.0	-48.01	276.57	6.07	-41.94
COC(=O)C1CC2(C1)CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004576518	0	36	-1.0	-50.39	298.82	6.72	-43.67
COC(=O)C1CC2(C1)CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004576518	1	36	-1.0	-50.52	298.68	6.74	-43.78
CN(C(=O)CCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004576519	0	34	-1.0	-54.38	294.71	6.16	-48.22
CN(C(=O)CCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004576519	1	34	-1.0	-54.50	294.57	6.18	-48.32
CC(=O)NC1=CN=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576520	0	32	-1.0	-54.45	273.89	2.70	-51.75
CC(=O)NC1=CN=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576520	1	32	-1.0	-54.37	274.03	2.71	-51.66
CN(C(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576521	0	30	-1.0	-44.97	261.92	7.26	-37.71
CN(C(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576521	1	30	-1.0	-45.02	261.79	7.28	-37.74
CC1CCCN2C(CC(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004576522	0	36	-1.0	-54.08	293.08	6.50	-47.58
CC1CCCN2C(CC(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004576522	1	36	-1.0	-54.20	292.95	6.54	-47.66
CC1=CC(C)=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CN21	REAL250004576523	0	32	-1.0	-64.56	272.69	6.85	-57.71
CC1=CC(C)=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CN21	REAL250004576523	1	32	-1.0	-64.48	272.84	6.86	-57.62
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(Cl)S1	REAL250004576524	0	28	-1.0	-47.03	273.06	4.64	-42.39
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(Cl)S1	REAL250004576524	1	28	-1.0	-46.98	273.20	4.62	-42.36
CN(C(=O)CSCCC(F)(F)F)C1=N[N-]N=N1	REAL250004576525	0	26	-1.0	-47.55	254.02	5.53	-42.02
CN(C(=O)CSCCC(F)(F)F)C1=NN=N[N-]1	REAL250004576525	1	26	-1.0	-47.67	253.88	5.55	-42.12
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(=O)(=O)F	REAL250004576526	0	29	-1.0	-52.44	264.07	2.51	-49.93
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(=O)(=O)F	REAL250004576526	1	29	-1.0	-52.53	263.93	2.53	-50.00
CC1=CC=C(S(=O)(=O)F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576527	0	29	-1.0	-49.35	268.57	2.70	-46.65
CC1=CC=C(S(=O)(=O)F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576527	1	29	-1.0	-49.39	268.44	2.71	-46.68
CC1=CC(S(=O)(=O)F)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576528	0	29	-1.0	-48.08	267.60	2.83	-45.25
CC1=CC(S(=O)(=O)F)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576528	1	29	-1.0	-48.14	267.57	2.83	-45.31
CN(C(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004576529	0	40	-1.0	-58.95	318.17	5.75	-53.20
CN(C(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004576529	1	40	-1.0	-59.01	318.04	5.78	-53.23
CN(C(=O)C(C)(C)OCC(F)(F)F)C1=N[N-]N=N1	REAL250004576530	0	29	-1.0	-30.76	245.34	4.11	-26.65
CN(C(=O)C(C)(C)OCC(F)(F)F)C1=NN=N[N-]1	REAL250004576530	1	29	-1.0	-30.79	245.20	4.13	-26.66
CN(C(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004576531	0	29	-1.0	-47.18	247.01	5.60	-41.58
CN(C(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004576531	1	29	-1.0	-47.23	246.88	5.62	-41.61
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004576532	0	31	-1.0	-47.92	268.53	5.92	-42.00
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004576532	1	31	-1.0	-47.89	268.66	5.92	-41.97
CN(C(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=N[N-]N=N1	REAL250004576533	0	29	-1.0	-45.24	272.59	6.16	-39.08
CN(C(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NN=N[N-]1	REAL250004576533	1	29	-1.0	-45.34	272.44	6.16	-39.18
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004576534	0	31	-1.0	-58.90	269.41	6.10	-52.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004576534	1	31	-1.0	-58.82	269.54	6.09	-52.73
CN(C(=O)C1CCCC1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004576535	0	32	-1.0	-57.38	270.35	2.13	-55.25
CN(C(=O)C1CCCC1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004576535	1	32	-1.0	-57.44	270.23	2.16	-55.28
COC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004576536	0	27	-1.0	-50.02	251.00	4.53	-45.49
COC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004576536	1	27	-1.0	-49.97	251.14	4.51	-45.46
CN(C(=O)C1=NNN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576537	0	29	-1.0	-44.99	253.50	4.15	-40.84
CN(C(=O)C1=NNN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576537	1	29	-1.0	-44.85	253.67	4.13	-40.72
CCC1=NN(C)C(CC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576538	0	35	-1.0	-48.58	296.74	5.47	-43.11
CCC1=NN(C)C(CC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576538	1	35	-1.0	-48.49	296.88	5.46	-43.03
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(CC2=CC=CC=C2)=NO1	REAL250004576539	0	35	-1.0	-45.27	310.26	7.88	-37.39
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(CC2=CC=CC=C2)=NO1	REAL250004576539	1	35	-1.0	-45.21	310.40	7.86	-37.35
CN(C(=O)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004576540	0	27	-1.0	-44.14	241.21	4.86	-39.28
CN(C(=O)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004576540	1	27	-1.0	-44.08	241.35	4.85	-39.23
CN(C(=O)C1=CC=C(C2(F)COC2)C=C1)C1=N[N-]N=N1	REAL250004576541	0	31	-1.0	-48.91	263.63	4.74	-44.17
CN(C(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NN=N[N-]1	REAL250004576541	1	31	-1.0	-49.03	263.49	4.73	-44.30
CN(C(=O)C1CCOC2(CCOCC2)C1)C1=N[N-]N=N1	REAL250004576542	0	38	-1.0	-31.10	282.05	3.83	-27.27
CN(C(=O)C1CCOC2(CCOCC2)C1)C1=NN=N[N-]1	REAL250004576542	1	38	-1.0	-31.13	282.00	3.86	-27.27
CN(C(=O)C1=CC2=C(SC=C2)S1)C1=NN=N[N-]1	REAL250004576543	0	23	-1.0	-44.76	229.47	5.28	-39.48
CN(C(=O)C1=CC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL250004576543	1	23	-1.0	-44.62	229.62	5.28	-39.34
CC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576544	0	26	-1.0	-49.35	241.30	6.11	-43.24
CC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576544	1	26	-1.0	-49.27	241.43	6.11	-43.16
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL250004576545	0	33	-1.0	-53.15	282.18	7.35	-45.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL250004576545	1	33	-1.0	-53.07	282.33	7.33	-45.74
COC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=C1	REAL250004576546	0	33	-1.0	-44.58	283.78	5.75	-38.83
COC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=C1	REAL250004576546	1	33	-1.0	-44.51	283.93	5.73	-38.78
CCC(CC(=O)N(C)C1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004576547	0	38	-1.0	-49.87	303.91	8.59	-41.28
CCC(CC(=O)N(C)C1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004576547	1	38	-1.0	-49.93	303.77	8.61	-41.32
CN(C(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=NN=N[N-]1	REAL250004576548	0	28	-1.0	-41.89	262.49	4.66	-37.23
CN(C(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=N[N-]N=N1	REAL250004576548	1	28	-1.0	-41.81	262.63	4.65	-37.16
CN(C(=O)C1=COC2=C1NC(=O)CCC2)C1=NN=N[N-]1	REAL250004576549	0	31	-1.0	-53.53	262.19	2.75	-50.78
CN(C(=O)C1=COC2=C1NC(=O)CCC2)C1=N[N-]N=N1	REAL250004576549	1	31	-1.0	-53.41	262.33	2.71	-50.70
CC1=NC=C(CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576550	0	28	-1.0	-46.75	257.96	4.71	-42.04
CC1=NC=C(CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576550	1	28	-1.0	-46.84	257.83	4.75	-42.09
CN(C(=O)C1(C)CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004576551	0	33	-1.0	-46.77	262.38	7.13	-39.64
CN(C(=O)C1(C)CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004576551	1	33	-1.0	-46.87	262.25	7.16	-39.71
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004576552	0	29	-1.0	-49.22	263.46	6.78	-42.44
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004576552	1	29	-1.0	-49.32	263.32	6.81	-42.51
CN(C(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=NN=N[N-]1	REAL250004576553	0	28	-1.0	-49.85	260.53	5.76	-44.09
CN(C(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=N[N-]N=N1	REAL250004576553	1	28	-1.0	-49.78	260.66	5.75	-44.03
CN(C(=O)C1=NC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004576554	0	22	-1.0	-46.87	218.19	4.67	-42.20
CN(C(=O)C1=NC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004576554	1	22	-1.0	-46.84	218.33	4.66	-42.18
CN(C(=O)CN1N=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004576555	0	28	-1.0	-54.29	253.07	3.64	-50.65
CN(C(=O)CN1N=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004576555	1	28	-1.0	-54.23	253.20	3.61	-50.62
CN(C(=O)C1=CN=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004576556	0	28	-1.0	-54.54	246.31	5.39	-49.15
CN(C(=O)C1=CN=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004576556	1	28	-1.0	-54.47	246.45	5.37	-49.10
CCC(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576557	0	31	-1.0	-55.13	264.34	5.13	-50.00
CCC(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576557	1	31	-1.0	-55.25	264.21	5.14	-50.11
CC(C)OC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004576558	0	33	-1.0	-52.16	287.33	6.35	-45.81
CC(C)OC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004576558	1	33	-1.0	-52.23	287.20	6.35	-45.88
CN(C(=O)CC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL250004576559	0	25	-1.0	-48.16	245.90	4.82	-43.34
CN(C(=O)CC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL250004576559	1	25	-1.0	-48.07	246.03	4.78	-43.29
CCC1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004576560	0	34	-1.0	-47.98	258.99	5.56	-42.42
CCC1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004576560	1	34	-1.0	-48.10	258.86	5.59	-42.51
CN(C(=O)C1=C2C=COC2=CC=C1F)C1=NN=N[N-]1	REAL250004576561	0	26	-1.0	-52.68	242.92	5.50	-47.18
CN(C(=O)C1=C2C=COC2=CC=C1F)C1=N[N-]N=N1	REAL250004576561	1	26	-1.0	-52.60	243.06	5.47	-47.13
CN(C(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004576562	0	28	-1.0	-47.64	249.60	2.12	-45.52
CN(C(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004576562	1	28	-1.0	-47.57	249.74	2.13	-45.44
CN(C(=O)C1(C#N)CC12CCOCC2)C1=N[N-]N=N1	REAL250004576563	0	32	-1.0	-43.33	263.44	4.13	-39.20
CN(C(=O)C1(C#N)CC12CCOCC2)C1=NN=N[N-]1	REAL250004576563	1	32	-1.0	-43.37	263.31	4.16	-39.21
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004576564	0	33	-1.0	-47.40	273.61	4.19	-43.21
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004576564	1	33	-1.0	-47.33	273.74	4.16	-43.17
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004576565	0	32	-1.0	-64.56	279.06	4.93	-59.63
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004576565	1	32	-1.0	-64.52	279.21	4.91	-59.61
CN(C(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004576566	0	33	-1.0	-45.77	270.65	6.38	-39.39
CN(C(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004576566	1	33	-1.0	-45.84	270.51	6.41	-39.43
CN(C(=O)C(F)(F)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004576567	0	25	-1.0	-42.10	231.72	4.17	-37.93
CN(C(=O)C(F)(F)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004576567	1	25	-1.0	-42.02	231.85	4.14	-37.88
COCC1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004576568	0	37	-1.0	-44.88	281.09	3.30	-41.58
COCC1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004576568	1	37	-1.0	-44.97	280.96	3.33	-41.64
CN(C(=O)C1CNC(=O)CC1(C)C)C1=N[N-]N=N1	REAL250004576569	0	33	-1.0	-45.58	256.30	2.32	-43.26
CN(C(=O)C1CNC(=O)CC1(C)C)C1=NN=N[N-]1	REAL250004576569	1	33	-1.0	-45.69	256.17	2.35	-43.34
CN(C(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004576570	0	33	-1.0	-49.54	288.24	5.29	-44.25
CN(C(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004576570	1	33	-1.0	-49.40	288.39	5.28	-44.12
CCC(C)C(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004576571	0	37	-1.0	-54.66	300.74	5.86	-48.80
CCC(C)C(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004576571	1	37	-1.0	-54.74	300.61	5.88	-48.86
CN(C(=O)C1=CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004576572	0	31	-1.0	-40.63	263.55	5.13	-35.50
CN(C(=O)C1=CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004576572	1	31	-1.0	-40.56	263.70	5.11	-35.45
CN(C(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NN=N[N-]1	REAL250004576573	0	26	-1.0	-45.35	245.16	4.10	-41.25
CN(C(=O)C1=CC2=C(C=C1Cl)OCO2)C1=N[N-]N=N1	REAL250004576573	1	26	-1.0	-45.26	245.29	4.10	-41.16
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=C2CCCCN21	REAL250004576574	0	39	-1.0	-53.22	298.54	7.53	-45.69
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=C2CCCCN21	REAL250004576574	1	39	-1.0	-53.01	298.84	7.53	-45.48
CC1=NC2=NC=NN2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576575	0	27	-1.0	-47.52	240.80	7.14	-40.38
CC1=NC2=NC=NN2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576575	1	27	-1.0	-47.45	240.92	7.15	-40.30
CC1=CC(C2CCC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576576	0	35	-1.0	-44.84	283.45	6.25	-38.59
CC1=CC(C2CCC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576576	1	35	-1.0	-44.74	283.59	6.24	-38.50
CC(C)[C@@H]1C[C@H](CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004576577	0	42	-1.0	-46.35	324.98	9.33	-37.02
CC(C)[C@@H]1C[C@H](CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004576577	1	42	-1.0	-46.39	324.84	9.35	-37.04
COC1=CC=CC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)CO2	REAL250004576578	0	35	-1.0	-47.82	283.35	4.90	-42.92
COC1=CC=CC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)CO2	REAL250004576578	1	35	-1.0	-47.92	283.22	4.92	-43.00
CN(C(=O)C1=NN2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576579	0	28	-1.0	-55.40	246.97	0.99	-54.41
CN(C(=O)C1=NN2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576579	1	28	-1.0	-55.32	247.11	0.97	-54.35
CC1=CC2=NC=CN=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576580	0	30	-1.0	-48.06	257.87	4.04	-44.02
CC1=CC2=NC=CN=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576580	1	30	-1.0	-47.99	258.00	4.03	-43.96
CC(=O)NC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004576581	0	35	-1.0	-56.56	277.74	4.56	-52.00
CC(=O)NC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004576581	1	35	-1.0	-56.63	277.61	4.58	-52.05
CN(C(=O)C1CCC2C(CC1)C2(F)F)C1=N[N-]N=N1	REAL250004576582	0	33	-1.0	-45.67	265.59	6.67	-39.00
CN(C(=O)C1CCC2C(CC1)C2(F)F)C1=NN=N[N-]1	REAL250004576582	1	33	-1.0	-45.74	264.89	6.68	-39.06
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC=CC1	REAL250004576583	0	33	-1.0	-43.54	270.93	5.84	-37.70
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC=CC1	REAL250004576583	1	33	-1.0	-43.62	270.80	5.85	-37.77
CC1=C(C)OC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576584	0	31	-1.0	-48.21	269.30	2.90	-45.31
CC1=C(C)OC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576584	1	31	-1.0	-48.27	269.17	2.93	-45.34
COCCOCCN1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576585	0	37	-1.0	-51.05	318.33	3.53	-47.52
COCCOCCN1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576585	1	37	-1.0	-50.97	318.47	3.52	-47.45
COCCOCCN1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576586	0	37	-1.0	-50.49	310.24	2.87	-47.62
COCCOCCN1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576586	1	37	-1.0	-50.37	310.38	2.84	-47.53
CN(C(=O)C1=C2CCCC2=NNC1=O)C1=NN=N[N-]1	REAL250004576587	0	29	-1.0	-56.51	254.28	2.54	-53.97
CN(C(=O)C1=C2CCCC2=NNC1=O)C1=N[N-]N=N1	REAL250004576587	1	29	-1.0	-56.45	254.40	2.52	-53.93
CN(C(=O)C1=CC=CC2=C1CNC2=O)C1=NN=N[N-]1	REAL250004576588	0	28	-1.0	-46.89	246.81	2.42	-44.47
CN(C(=O)C1=CC=CC2=C1CNC2=O)C1=N[N-]N=N1	REAL250004576588	1	28	-1.0	-46.80	246.95	2.42	-44.38
CN(C(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004576589	0	29	-1.0	-50.66	268.78	5.40	-45.26
CN(C(=O)C1=NN(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004576589	1	29	-1.0	-50.56	268.93	5.38	-45.18
CN(C(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NN=N[N-]1	REAL250004576590	0	29	-1.0	-48.15	265.27	5.73	-42.42
CN(C(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=N[N-]N=N1	REAL250004576590	1	29	-1.0	-48.05	265.41	5.71	-42.34
CN(C(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=N[N-]N=N1	REAL250004576591	0	37	-1.0	-51.79	294.63	7.32	-44.47
CN(C(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NN=N[N-]1	REAL250004576591	1	37	-1.0	-51.91	294.49	7.34	-44.57
CC(C(=O)N(C)C1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004576592	0	35	-1.0	-32.81	289.14	8.01	-24.80
CC(C(=O)N(C)C1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004576592	1	35	-1.0	-32.92	289.16	8.00	-24.92
CN(C(=O)C1=CC=C(CC2CCC2)C=C1)C1=NN=N[N-]1	REAL250004576593	0	36	-1.0	-48.00	293.16	8.42	-39.58
CN(C(=O)C1=CC=C(CC2CCC2)C=C1)C1=N[N-]N=N1	REAL250004576593	1	36	-1.0	-47.91	293.29	8.43	-39.48
CN(C)C1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2O1	REAL250004576594	0	33	-1.0	-49.84	281.65	3.50	-46.34
CN(C)C1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2O1	REAL250004576594	1	33	-1.0	-49.76	281.79	3.48	-46.28
CN(C(=O)C1=CN(C2COC2)N=N1)C1=NN=N[N-]1	REAL250004576595	0	27	-1.0	-45.65	239.29	1.02	-44.63
CN(C(=O)C1=CN(C2COC2)N=N1)C1=N[N-]N=N1	REAL250004576595	1	27	-1.0	-45.59	239.44	0.99	-44.60
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004576596	0	26	-1.0	-42.02	247.75	5.98	-36.04
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004576596	1	26	-1.0	-42.08	247.62	6.01	-36.07
CN(C(=O)CCC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004576597	0	28	-1.0	-47.84	252.39	4.97	-42.87
CN(C(=O)CCC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004576597	1	28	-1.0	-47.75	252.52	4.93	-42.82
CC(=O)NCC1(CC(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004576598	0	42	-1.0	-56.57	313.18	5.08	-51.49
CC(=O)NCC1(CC(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004576598	1	42	-1.0	-56.68	313.05	5.10	-51.58
CN(C(=O)C1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL250004576599	0	39	-1.0	-45.61	292.13	5.53	-40.08
CN(C(=O)C1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL250004576599	1	39	-1.0	-45.67	291.99	5.54	-40.13
CN(C(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004576600	0	29	-1.0	-44.38	262.76	3.45	-40.93
CN(C(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004576600	1	29	-1.0	-44.43	262.62	3.46	-40.97
CC(C)CC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004576601	0	42	-1.0	-62.73	319.20	7.46	-55.27
CC(C)CC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004576601	1	42	-1.0	-62.85	319.07	7.48	-55.37
CN(C(=O)C12OC3C4COCC3C1C42)C1=N[N-]N=N1	REAL250004576602	0	31	-1.0	-48.90	250.13	3.38	-45.52
CN(C(=O)C12OC3C4COCC3C1C42)C1=NN=N[N-]1	REAL250004576602	1	31	-1.0	-48.99	249.99	3.41	-45.58
CN(C(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004576603	0	32	-1.0	-40.66	257.59	1.75	-38.91
CN(C(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004576603	1	32	-1.0	-40.69	257.45	1.77	-38.92
CN(C(=O)C1(C2CCCO2)CCOCC1)C1=N[N-]N=N1	REAL250004576604	0	38	-1.0	-48.60	268.68	4.04	-44.56
CN(C(=O)C1(C2CCCO2)CCOCC1)C1=NN=N[N-]1	REAL250004576604	1	38	-1.0	-48.69	268.55	4.04	-44.65
CN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576605	0	40	-1.0	-47.96	299.43	8.93	-39.03
CN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576605	1	40	-1.0	-48.11	299.30	8.95	-39.16
CN(C(=O)C1=CN=C2CCCCC2=N1)C1=N[N-]N=N1	REAL250004576606	0	31	-1.0	-45.73	257.43	4.73	-41.00
CN(C(=O)C1=CN=C2CCCCC2=N1)C1=NN=N[N-]1	REAL250004576606	1	31	-1.0	-45.83	257.29	4.75	-41.08
CCC1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576607	0	27	-1.0	-43.35	250.45	5.05	-38.30
CCC1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576607	1	27	-1.0	-43.40	250.31	5.07	-38.33
CN(C(=O)C12CC(C)(C1)OC2(C)C)C1=N[N-]N=N1	REAL250004576608	0	34	-1.0	-45.58	257.49	4.16	-41.42
CN(C(=O)C12CC(C)(C1)OC2(C)C)C1=NN=N[N-]1	REAL250004576608	1	34	-1.0	-45.63	257.36	4.18	-41.45
CN(C(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=N[N-]N=N1	REAL250004576609	0	30	-1.0	-56.57	275.72	7.36	-49.21
CN(C(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=NN=N[N-]1	REAL250004576609	1	30	-1.0	-56.66	275.59	7.38	-49.28
CN(C(=O)C1(C2CCCO2)CCCC1)C1=N[N-]N=N1	REAL250004576610	0	37	-1.0	-44.60	274.00	5.22	-39.38
CN(C(=O)C1(C2CCCO2)CCCC1)C1=NN=N[N-]1	REAL250004576610	1	37	-1.0	-44.73	273.86	5.25	-39.48
CN(C(=O)C1(C(F)(F)F)CC=CCO1)C1=N[N-]N=N1	REAL250004576611	0	28	-1.0	-40.91	236.83	4.26	-36.65
CN(C(=O)C1(C(F)(F)F)CC=CCO1)C1=NN=N[N-]1	REAL250004576611	1	28	-1.0	-40.95	236.69	4.28	-36.67
CN(C(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL250004576612	0	25	-1.0	-48.80	231.73	4.71	-44.09
CN(C(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL250004576612	1	25	-1.0	-48.73	231.87	4.68	-44.05
CN(C(=O)C1CNC(=O)CC12CCOC2)C1=N[N-]N=N1	REAL250004576613	0	35	-1.0	-32.67	264.27	2.08	-30.59
CN(C(=O)C1CNC(=O)CC12CCOC2)C1=NN=N[N-]1	REAL250004576613	1	35	-1.0	-49.55	265.85	1.77	-47.78
CC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004576614	0	29	-1.0	-51.79	253.61	6.12	-45.67
CC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004576614	1	29	-1.0	-51.72	253.75	6.10	-45.62
CN(C(=O)C1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL250004576615	0	31	-1.0	-47.08	265.07	7.11	-39.97
CN(C(=O)C1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL250004576615	1	31	-1.0	-46.96	265.29	7.11	-39.85
CN(C(=O)C1=CC=C2SCCCCC2=C1)C1=NN=N[N-]1	REAL250004576616	0	34	-1.0	-46.36	281.69	7.70	-38.66
CN(C(=O)C1=CC=C2SCCCCC2=C1)C1=N[N-]N=N1	REAL250004576616	1	34	-1.0	-46.27	281.89	7.69	-38.58
CC1=CC=C2C(C(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004576617	0	29	-1.0	-51.10	252.17	6.09	-45.01
CC1=CC=C2C(C(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004576617	1	29	-1.0	-51.00	252.54	6.08	-44.92
COC(=O)CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576618	0	35	-1.0	-50.90	300.58	7.16	-43.74
COC(=O)CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576618	1	35	-1.0	-50.98	300.44	7.16	-43.82
CC(C)=CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004576619	0	36	-1.0	-45.32	301.84	8.33	-36.99
CC(C)=CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004576619	1	36	-1.0	-45.28	301.98	8.33	-36.95
CN(C(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004576620	0	30	-1.0	-47.46	266.03	5.35	-42.11
CN(C(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004576620	1	30	-1.0	-47.37	266.17	5.32	-42.05
CN(C(=O)CC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004576621	0	31	-1.0	-52.36	270.91	6.35	-46.01
CN(C(=O)CC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004576621	1	31	-1.0	-52.26	271.05	6.32	-45.94
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004576622	0	34	-1.0	-41.24	266.94	3.39	-37.85
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004576622	1	34	-1.0	-41.33	266.81	3.40	-37.93
CN(C(=O)CN1N=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004576623	0	33	-1.0	-53.29	283.78	3.58	-49.71
CN(C(=O)CN1N=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004576623	1	33	-1.0	-53.21	283.92	3.55	-49.66
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004576624	0	28	-1.0	-42.00	262.43	6.54	-35.46
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004576624	1	28	-1.0	-42.08	262.29	6.54	-35.54
CN(C(=O)C1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004576625	0	27	-1.0	-54.15	250.69	5.12	-49.03
CN(C(=O)C1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004576625	1	27	-1.0	-54.07	250.84	5.11	-48.96
CN(C(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004576626	0	26	-1.0	-46.67	239.10	6.04	-40.63
CN(C(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004576626	1	26	-1.0	-46.73	238.96	6.07	-40.66
CN(C(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NN=N[N-]1	REAL250004576627	0	26	-1.0	-51.89	242.86	5.58	-46.31
CN(C(=O)C1=COC2=CC(F)=CC(F)=C12)C1=N[N-]N=N1	REAL250004576627	1	26	-1.0	-51.78	243.00	5.55	-46.23
CN(C(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL250004576628	0	28	-1.0	-49.06	252.85	3.69	-45.37
CN(C(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL250004576628	1	28	-1.0	-48.99	253.00	3.67	-45.32
CN(C(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NN=N[N-]1	REAL250004576629	0	26	-1.0	-44.55	244.83	4.20	-40.35
CN(C(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=N[N-]N=N1	REAL250004576629	1	26	-1.0	-44.51	244.97	4.21	-40.30
CN(C(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL250004576630	0	33	-1.0	-49.94	286.80	6.08	-43.86
CN(C(=O)C1=NC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL250004576630	1	33	-1.0	-49.83	286.94	6.08	-43.75
CN(C(=O)C1=CC2=C(S1)N(C)N=C2)C1=NN=N[N-]1	REAL250004576631	0	26	-1.0	-46.51	241.78	3.91	-42.60
CN(C(=O)C1=CC2=C(S1)N(C)N=C2)C1=N[N-]N=N1	REAL250004576631	1	26	-1.0	-46.42	241.93	3.92	-42.50
COC1=CC=CC=C1N1C=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576632	0	34	-1.0	-51.28	294.79	7.71	-43.57
COC1=CC=CC=C1N1C=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576632	1	34	-1.0	-51.27	294.94	7.68	-43.59
CN(C(=O)C1=CN=C(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL250004576633	0	35	-1.0	-43.61	288.40	3.55	-40.06
CN(C(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL250004576633	1	35	-1.0	-43.70	288.27	3.57	-40.13
CN(C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004576634	0	28	-1.0	-52.97	265.02	5.93	-47.04
CN(C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004576634	1	28	-1.0	-52.92	265.16	5.90	-47.02
CN(C(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=N[N-]N=N1	REAL250004576635	0	34	-1.0	-46.22	278.66	4.07	-42.15
CN(C(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=NN=N[N-]1	REAL250004576635	1	34	-1.0	-46.32	278.53	4.08	-42.24
CC(C)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576636	0	33	-1.0	-46.69	272.46	4.18	-42.51
CC(C)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576636	1	33	-1.0	-46.73	272.32	4.18	-42.55
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004576637	0	33	-1.0	-53.26	276.57	5.60	-47.66
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004576637	1	33	-1.0	-53.38	276.44	5.61	-47.77
COC(C(=O)N(C)C1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004576638	0	30	-1.0	-48.96	256.83	5.20	-43.76
COC(C(=O)N(C)C1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004576638	1	30	-1.0	-49.06	256.69	5.22	-43.84
CN(C(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004576639	0	38	-1.0	-47.82	274.14	6.38	-41.44
CN(C(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004576639	1	38	-1.0	-47.87	274.01	6.40	-41.47
CN(C(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL250004576640	0	29	-1.0	-44.95	268.69	4.80	-40.15
CN(C(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL250004576640	1	29	-1.0	-44.84	268.84	4.78	-40.06
CN(C(=O)COCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004576641	0	32	-1.0	-57.73	287.30	3.45	-54.28
CN(C(=O)COCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004576641	1	32	-1.0	-57.80	287.16	3.48	-54.32
CN(C(=O)CC1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL250004576642	0	35	-1.0	-49.73	290.63	5.81	-43.92
CN(C(=O)CC1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL250004576642	1	35	-1.0	-49.84	290.49	5.84	-44.00
CN(C(=O)CN1C=NC(Br)=C1)C1=NN=N[N-]1	REAL250004576643	0	23	-1.0	-52.19	232.29	5.50	-46.69
CN(C(=O)CN1C=NC(Br)=C1)C1=N[N-]N=N1	REAL250004576643	1	23	-1.0	-52.11	232.42	5.48	-46.63
CN(C(=O)C1=CC=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL250004576644	0	28	-1.0	-48.68	243.49	2.37	-46.31
CN(C(=O)C1=CC=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL250004576644	1	28	-1.0	-48.60	243.62	2.37	-46.23
CN(C(=O)C1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL250004576645	0	26	-1.0	-56.26	226.88	5.79	-50.47
CN(C(=O)C1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL250004576645	1	26	-1.0	-56.15	227.02	5.80	-50.35
CN(C(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL250004576646	0	28	-1.0	-42.22	255.93	4.45	-37.77
CN(C(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL250004576646	1	28	-1.0	-42.13	256.07	4.44	-37.69
CN(C(=O)CC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004576647	0	27	-1.0	-50.06	256.09	6.40	-43.66
CN(C(=O)CC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004576647	1	27	-1.0	-50.15	255.96	6.42	-43.73
CN(C(=O)CC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL250004576648	0	32	-1.0	-44.58	273.66	7.32	-37.26
CN(C(=O)CC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL250004576648	1	32	-1.0	-44.67	273.52	7.34	-37.33
CN(C(=O)C1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004576649	0	31	-1.0	-48.97	255.72	4.98	-43.99
CN(C(=O)C1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004576649	1	31	-1.0	-48.90	255.86	4.99	-43.91
CCOCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576650	0	29	-1.0	-48.65	266.93	3.63	-45.02
CCOCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576650	1	29	-1.0	-48.69	266.79	3.66	-45.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004576651	0	33	-1.0	-45.76	275.59	2.67	-43.09
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004576651	1	33	-1.0	-45.78	275.45	2.70	-43.08
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004576652	0	28	-1.0	-48.31	247.06	5.38	-42.93
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004576652	1	28	-1.0	-48.28	247.20	5.37	-42.91
CN(C(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004576653	0	33	-1.0	-48.86	268.43	7.52	-41.34
CN(C(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004576653	1	33	-1.0	-48.95	268.29	7.52	-41.43
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL250004576654	0	27	-1.0	-52.35	250.00	2.21	-50.14
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL250004576654	1	27	-1.0	-52.30	250.13	2.23	-50.07
CN(C(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004576655	0	31	-1.0	-49.02	277.57	5.19	-43.83
CN(C(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004576655	1	31	-1.0	-48.93	277.72	5.18	-43.75
CN(C(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004576656	0	33	-1.0	-55.96	285.17	4.84	-51.12
CN(C(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004576656	1	33	-1.0	-55.99	285.02	4.85	-51.14
CCN1C=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576657	0	26	-1.0	-51.03	244.28	4.78	-46.25
CCN1C=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576657	1	26	-1.0	-50.98	244.43	4.77	-46.21
CC1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004576658	0	25	-1.0	-47.02	235.02	5.30	-41.72
CC1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004576658	1	25	-1.0	-46.99	235.16	5.29	-41.70
COC1=NSC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576659	0	27	-1.0	-45.39	258.12	2.47	-42.92
COC1=NSC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576659	1	27	-1.0	-45.46	257.98	2.47	-42.99
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004576660	0	30	-1.0	-42.96	248.72	4.96	-38.00
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004576660	1	30	-1.0	-42.97	248.59	4.98	-37.99
CCC(C(=O)N(C)C1=N[N-]N=N1)C1CCOCC1	REAL250004576661	0	36	-1.0	-48.41	276.79	4.67	-43.74
CCC(C(=O)N(C)C1=NN=N[N-]1)C1CCOCC1	REAL250004576661	1	36	-1.0	-48.54	276.65	4.70	-43.84
CN(C(=O)C1=CSC(CC(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004576662	0	25	-1.0	-49.20	252.32	4.71	-44.49
CN(C(=O)C1=CSC(CC(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004576662	1	25	-1.0	-49.32	252.17	4.73	-44.59
CN(C(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004576663	0	33	-1.0	-51.59	269.32	2.96	-48.63
CN(C(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004576663	1	33	-1.0	-51.66	269.19	3.00	-48.66
CN(C(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NN=N[N-]1	REAL250004576664	0	26	-1.0	-47.64	241.64	5.50	-42.14
CN(C(=O)C1=COC2=C(F)C=C(F)C=C12)C1=N[N-]N=N1	REAL250004576664	1	26	-1.0	-47.57	241.78	5.49	-42.08
CCC1=CC=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C21	REAL250004576665	0	34	-1.0	-49.20	283.12	7.77	-41.43
CCC1=CC=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C21	REAL250004576665	1	34	-1.0	-49.13	283.27	7.76	-41.37
CN(C(=O)C1(C)CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004576666	0	32	-1.0	-34.96	247.08	0.99	-33.97
CN(C(=O)C1(C)CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004576666	1	32	-1.0	-34.94	246.95	1.00	-33.94
CN(C(=O)C1=CC=CC=C1C(C)(F)F)C1=NN=N[N-]1	REAL250004576667	0	29	-1.0	-58.11	243.74	6.32	-51.79
CN(C(=O)C1=CC=CC=C1C(C)(F)F)C1=N[N-]N=N1	REAL250004576667	1	29	-1.0	-58.01	243.88	6.33	-51.68
CN(C(=O)C1(F)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004576668	0	29	-1.0	-43.32	240.17	5.33	-37.99
CN(C(=O)C1(F)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004576668	1	29	-1.0	-43.46	240.04	5.36	-38.10
CN(C(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004576669	0	34	-1.0	-50.54	272.15	4.42	-46.12
CN(C(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004576669	1	34	-1.0	-50.43	272.28	4.40	-46.03
CN(C(=O)C1CC(C)(C)C1C(F)(F)F)C1=N[N-]N=N1	REAL250004576670	0	32	-1.0	-46.69	267.81	6.13	-40.56
CN(C(=O)C1CC(C)(C)C1C(F)(F)F)C1=NN=N[N-]1	REAL250004576670	1	32	-1.0	-46.80	267.68	6.15	-40.65
CN(C(=O)C12CCCC1CC(=O)CC2)C1=N[N-]N=N1	REAL250004576671	0	35	-1.0	-48.77	257.99	5.38	-43.39
CN(C(=O)C12CCCC1CC(=O)CC2)C1=NN=N[N-]1	REAL250004576671	1	35	-1.0	-48.90	257.87	5.41	-43.49
CN(C(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL250004576672	0	31	-1.0	-49.05	261.71	3.36	-45.69
CN(C(=O)C1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL250004576672	1	31	-1.0	-48.95	261.85	3.36	-45.59
CC(C)N1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004576673	0	36	-1.0	-45.80	277.64	4.74	-41.06
CC(C)N1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004576673	1	36	-1.0	-45.88	277.51	4.77	-41.11
CN(C(=O)C1=CC=C2CNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576674	0	28	-1.0	-53.67	245.23	2.40	-51.27
CN(C(=O)C1=CC=C2CNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576674	1	28	-1.0	-53.62	245.37	2.40	-51.22
CCOC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576675	0	28	-1.0	-48.58	268.53	4.64	-43.94
CCOC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576675	1	28	-1.0	-48.53	268.67	4.61	-43.92
C[C@@H](CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004576676	0	35	-1.0	-48.96	290.73	5.86	-43.10
C[C@@H](CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004576676	1	35	-1.0	-49.02	290.60	5.87	-43.15
CN(C(=O)CC1CCCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004576677	0	37	-1.0	-52.17	288.73	6.69	-45.48
CN(C(=O)CC1CCCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004576677	1	37	-1.0	-52.30	288.59	6.71	-45.59
CN(C(=O)C1(C(F)(F)F)CCCCO1)C1=N[N-]N=N1	REAL250004576678	0	30	-1.0	-42.35	244.08	4.22	-38.13
CN(C(=O)C1(C(F)(F)F)CCCCO1)C1=NN=N[N-]1	REAL250004576678	1	30	-1.0	-42.42	243.94	4.24	-38.18
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004576679	0	34	-1.0	-47.12	285.67	6.06	-41.06
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004576679	1	34	-1.0	-47.14	285.53	6.07	-41.07
CC1=NN(C(C)C)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576680	0	35	-1.0	-47.53	295.31	5.55	-41.98
CC1=NN(C(C)C)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576680	1	35	-1.0	-47.42	295.46	5.54	-41.88
CN(C(=O)C1=CON=C1C1CCCO1)C1=N[N-]N=N1	REAL250004576681	0	30	-1.0	-48.25	257.84	3.40	-44.85
CN(C(=O)C1=CON=C1C1CCCO1)C1=NN=N[N-]1	REAL250004576681	1	30	-1.0	-48.36	257.70	3.43	-44.93
CN(C(=O)C1CNC(=O)CC12CCC2)C1=N[N-]N=N1	REAL250004576682	0	34	-1.0	-31.92	263.44	3.21	-28.71
CN(C(=O)C1CNC(=O)CC12CCC2)C1=NN=N[N-]1	REAL250004576682	1	34	-1.0	-31.93	263.27	3.22	-28.71
COC1C[C@@H]2CC(C(=O)N(C)C3=N[N-]N=N3)C[C@H]12	REAL250004576683	0	34	-1.0	-48.07	270.02	4.88	-43.19
COC1C[C@@H]2CC(C(=O)N(C)C3=NN=N[N-]3)C[C@H]12	REAL250004576683	1	34	-1.0	-48.17	269.88	4.90	-43.27
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004576684	0	29	-1.0	-52.19	253.60	6.14	-46.05
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004576684	1	29	-1.0	-52.08	253.74	6.13	-45.95
CN(C(=O)CC12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL250004576685	0	39	-1.0	-47.52	284.40	7.28	-40.24
CN(C(=O)CC12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL250004576685	1	39	-1.0	-47.59	284.27	7.31	-40.28
CN(C(=O)CN1C=C(C2CCOC2)C=N1)C1=NN=N[N-]1	REAL250004576686	0	34	-1.0	-54.92	286.91	4.05	-50.87
CN(C(=O)CN1C=C(C2CCOC2)C=N1)C1=N[N-]N=N1	REAL250004576686	1	34	-1.0	-54.86	287.05	4.03	-50.83
CCC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576687	0	34	-1.0	-54.62	283.76	6.25	-48.37
CCC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576687	1	34	-1.0	-54.59	283.90	6.24	-48.35
CN(C(=O)C1=C2C=CSC2=CC=C1)C1=NN=N[N-]1	REAL250004576688	0	26	-1.0	-50.16	235.13	6.23	-43.93
CN(C(=O)C1=C2C=CSC2=CC=C1)C1=N[N-]N=N1	REAL250004576688	1	26	-1.0	-50.08	235.27	6.22	-43.86
CN(C(=O)C1=CC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL250004576689	0	23	-1.0	-45.41	232.10	4.84	-40.57
CN(C(=O)C1=CC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL250004576689	1	23	-1.0	-45.53	231.95	4.85	-40.68
CN(C(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NN=N[N-]1	REAL250004576690	0	29	-1.0	-49.80	254.41	6.41	-43.39
CN(C(=O)C1=CC=CC(C(C)(F)F)=C1)C1=N[N-]N=N1	REAL250004576690	1	29	-1.0	-49.72	254.56	6.42	-43.30
CN(C(=O)C1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL250004576691	0	34	-1.0	-50.66	286.00	6.72	-43.94
CN(C(=O)C1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL250004576691	1	34	-1.0	-50.58	286.13	6.74	-43.84
CSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004576692	0	27	-1.0	-47.18	259.22	6.45	-40.73
CSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004576692	1	27	-1.0	-47.10	259.36	6.44	-40.66
CN(C(=O)C1=CC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004576693	0	26	-1.0	-48.92	239.94	6.30	-42.62
CN(C(=O)C1=CC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004576693	1	26	-1.0	-48.85	240.08	6.30	-42.55
CN(C(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004576694	0	33	-1.0	-54.32	285.48	3.63	-50.69
CN(C(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004576694	1	33	-1.0	-54.24	285.62	3.60	-50.64
CC1=NC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004576695	0	34	-1.0	-46.72	276.04	5.34	-41.38
CC1=NC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004576695	1	34	-1.0	-46.76	275.90	5.36	-41.40
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004576696	0	29	-1.0	-49.35	270.56	5.72	-43.63
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004576696	1	29	-1.0	-49.42	270.42	5.76	-43.66
CCC1=NC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004576697	0	37	-1.0	-46.59	297.39	5.93	-40.66
CCC1=NC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004576697	1	37	-1.0	-46.69	297.26	5.96	-40.73
CC1=CN(CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)N=C1	REAL250004576698	0	36	-1.0	-53.79	307.74	7.24	-46.55
CC1=CN(CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)N=C1	REAL250004576698	1	36	-1.0	-53.71	307.89	7.24	-46.47
CN(C(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576699	0	37	-1.0	-48.93	279.25	7.27	-41.66
CN(C(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576699	1	37	-1.0	-49.00	279.07	7.25	-41.75
CN(C(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576700	0	37	-1.0	-53.42	292.28	7.15	-46.27
CN(C(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576700	1	37	-1.0	-53.52	292.14	7.16	-46.36
CN(C(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NN=N[N-]1	REAL250004576701	0	37	-1.0	-57.38	297.35	6.84	-50.54
CN(C(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=N[N-]N=N1	REAL250004576701	1	37	-1.0	-57.28	297.49	6.83	-50.45
CN(C(=O)CCC=CBr)C1=N[N-]N=N1	REAL250004576702	0	23	-1.0	-45.57	225.64	5.02	-40.55
CN(C(=O)CCC=CBr)C1=NN=N[N-]1	REAL250004576702	1	23	-1.0	-45.64	225.50	5.06	-40.58
CC1=CC(F)=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576703	0	32	-1.0	-50.28	268.70	6.96	-43.32
CC1=CC(F)=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576703	1	32	-1.0	-50.37	268.56	6.98	-43.39
CN(C(=O)CC(C1=CC=CC=C1F)C(F)F)C1=N[N-]N=N1	REAL250004576704	0	32	-1.0	-47.13	278.70	7.34	-39.79
CN(C(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NN=N[N-]1	REAL250004576704	1	32	-1.0	-47.18	278.56	7.37	-39.81
CN(C(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL250004576705	0	30	-1.0	-57.76	271.36	6.81	-50.95
CN(C(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL250004576705	1	30	-1.0	-57.85	271.23	6.84	-51.01
CN(C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL250004576706	0	30	-1.0	-53.76	263.49	7.13	-46.63
CN(C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL250004576706	1	30	-1.0	-53.87	263.34	7.13	-46.74
CC1=NC(C2CC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576707	0	31	-1.0	-42.53	265.61	5.14	-37.39
CC1=NC(C2CC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576707	1	31	-1.0	-42.47	265.76	5.14	-37.33
CC1=NN=C(CCC(=O)N(C)C2=N[N-]N=N2)N1C	REAL250004576708	0	31	-1.0	-52.11	266.66	5.62	-46.49
CC1=NN=C(CCC(=O)N(C)C2=NN=N[N-]2)N1C	REAL250004576708	1	31	-1.0	-52.17	266.53	5.64	-46.53
CN(C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL250004576709	0	34	-1.0	-50.38	258.19	4.60	-45.78
CN(C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL250004576709	1	34	-1.0	-50.48	258.05	4.62	-45.86
CN(C(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL250004576710	0	31	-1.0	-48.02	249.38	6.42	-41.60
CN(C(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL250004576710	1	31	-1.0	-48.16	249.25	6.45	-41.71
CN(C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL250004576711	0	33	-1.0	-49.93	279.25	5.94	-43.99
CN(C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL250004576711	1	33	-1.0	-49.86	279.38	5.92	-43.94
CN(C(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL250004576712	0	38	-1.0	-50.50	284.87	4.28	-46.22
CN(C(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL250004576712	1	38	-1.0	-50.61	284.73	4.31	-46.30
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004576713	0	26	-1.0	-47.08	258.97	6.40	-40.68
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004576713	1	26	-1.0	-47.18	258.82	6.41	-40.77
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL250004576714	0	34	-1.0	-49.60	285.10	7.81	-41.79
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL250004576714	1	34	-1.0	-49.67	284.96	7.83	-41.84
CN(C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL250004576715	0	29	-1.0	-57.75	263.52	-1.27	-59.02
CN(C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL250004576715	1	29	-1.0	-57.60	263.66	-1.29	-58.89
CN(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004576716	0	30	-1.0	-50.21	243.06	5.93	-44.28
CN(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004576716	1	30	-1.0	-50.28	242.93	5.96	-44.32
CC1=NN(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576717	0	33	-1.0	-60.78	281.64	7.18	-53.60
CC1=NN(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576717	1	33	-1.0	-60.72	281.78	7.16	-53.56
CN(C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=NN=N[N-]1	REAL250004576718	0	37	-1.0	-53.87	293.20	6.21	-47.66
CN(C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=N[N-]N=N1	REAL250004576718	1	37	-1.0	-53.81	293.34	6.19	-47.62
CN(C(=O)C12CC(C)(C1)OC21CCC1)C1=N[N-]N=N1	REAL250004576719	0	35	-1.0	-45.96	267.17	4.95	-41.01
CN(C(=O)C12CC(C)(C1)OC21CCC1)C1=NN=N[N-]1	REAL250004576719	1	35	-1.0	-46.05	267.03	4.98	-41.07
CN(C(=O)C12CC(C)(C1)OC21CCOCC1)C1=N[N-]N=N1	REAL250004576720	0	39	-1.0	-48.25	288.50	3.60	-44.65
CN(C(=O)C12CC(C)(C1)OC21CCOCC1)C1=NN=N[N-]1	REAL250004576720	1	39	-1.0	-48.30	288.36	3.63	-44.67
CN(C(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL250004576721	0	31	-1.0	-51.40	264.08	2.70	-48.70
CN(C(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL250004576721	1	31	-1.0	-51.41	263.94	2.73	-48.68
CN(C(=O)C1(C2CCOCC2)CCOCC1)C1=N[N-]N=N1	REAL250004576722	0	41	-1.0	-54.38	283.68	3.38	-51.00
CN(C(=O)C1(C2CCOCC2)CCOCC1)C1=NN=N[N-]1	REAL250004576722	1	41	-1.0	-54.50	283.55	3.41	-51.09
CN(C(=O)C1=CC=CC=C1C1CC1(F)F)C1=NN=N[N-]1	REAL250004576723	0	30	-1.0	-51.32	262.35	7.15	-44.17
CN(C(=O)C1=CC=CC=C1C1CC1(F)F)C1=N[N-]N=N1	REAL250004576723	1	30	-1.0	-51.22	262.49	7.14	-44.08
CCC1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004576724	0	29	-1.0	-42.35	272.02	4.67	-37.68
CCC1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004576724	1	29	-1.0	-42.44	271.88	4.68	-37.76
CN(C(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004576725	0	27	-1.0	-48.93	254.80	6.54	-42.39
CN(C(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004576725	1	27	-1.0	-48.99	254.67	6.56	-42.43
CN(C(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004576726	0	30	-1.0	-36.36	256.10	3.21	-33.15
CN(C(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004576726	1	30	-1.0	-36.41	256.19	3.17	-33.24
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576727	0	34	-1.0	-42.44	291.02	5.79	-36.65
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576727	1	34	-1.0	-42.53	290.89	5.79	-36.74
CCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=N1	REAL250004576728	0	33	-1.0	-42.00	281.90	4.73	-37.27
CCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=N1	REAL250004576728	1	33	-1.0	-41.93	282.03	4.73	-37.20
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004576729	0	29	-1.0	-49.68	274.29	5.82	-43.86
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004576729	1	29	-1.0	-49.73	274.15	5.85	-43.88
CN(C(=O)C1(C2CCCCO2)CC1)C1=N[N-]N=N1	REAL250004576730	0	34	-1.0	-50.96	267.99	5.33	-45.63
CN(C(=O)C1(C2CCCCO2)CC1)C1=NN=N[N-]1	REAL250004576730	1	34	-1.0	-51.04	267.86	5.34	-45.70
CN(C(=O)C1=CC(C2CC2)=NNC1=O)C1=NN=N[N-]1	REAL250004576731	0	29	-1.0	-50.40	257.21	2.85	-47.55
CN(C(=O)C1=CC(C2CC2)=NNC1=O)C1=N[N-]N=N1	REAL250004576731	1	29	-1.0	-50.29	257.35	2.84	-47.45
CN(C(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004576732	0	33	-1.0	-47.04	267.25	5.35	-41.69
CN(C(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004576732	1	33	-1.0	-46.91	267.39	5.33	-41.58
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL250004576733	0	41	-1.0	-45.02	310.87	7.05	-37.97
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL250004576733	1	41	-1.0	-45.12	310.74	7.06	-38.06
CN(C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL250004576734	0	29	-1.0	-47.66	254.46	5.69	-41.97
CN(C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL250004576734	1	29	-1.0	-47.69	254.33	5.71	-41.98
CCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576735	0	28	-1.0	-47.60	254.40	5.15	-42.45
CCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576735	1	28	-1.0	-47.69	254.25	5.17	-42.52
CC1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004576736	0	26	-1.0	-42.51	250.40	3.95	-38.56
CC1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004576736	1	26	-1.0	-42.46	250.54	3.93	-38.53
COC1=CC=NC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004576737	0	26	-1.0	-55.41	233.37	3.63	-51.78
COC1=CC=NC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004576737	1	26	-1.0	-55.34	233.51	3.63	-51.71
CN(C(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004576738	0	27	-1.0	-48.21	265.12	6.98	-41.23
CN(C(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004576738	1	27	-1.0	-48.30	264.99	7.01	-41.29
COCC1=CN=C(OC)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576739	0	33	-1.0	-51.12	281.55	2.44	-48.68
COCC1=CN=C(OC)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576739	1	33	-1.0	-51.09	281.70	2.45	-48.64
COC1=CC=C(C(C)=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576740	0	34	-1.0	-46.59	288.24	6.59	-40.00
COC1=CC=C(C(C)=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576740	1	34	-1.0	-46.49	288.38	6.60	-39.89
CN(C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL250004576741	0	32	-1.0	-48.13	271.21	5.21	-42.92
CN(C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL250004576741	1	32	-1.0	-48.06	271.34	5.22	-42.84
COC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576742	0	32	-1.0	-52.75	270.37	4.14	-48.61
COC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576742	1	32	-1.0	-52.69	270.51	4.12	-48.57
CC1=CC(=O)N(CCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576743	0	31	-1.0	-52.33	271.71	5.37	-46.96
CC1=CC(=O)N(CCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576743	1	31	-1.0	-52.42	271.57	5.41	-47.01
CN(C(=O)C1=C2OC=CC2=CC=C1Cl)C1=NN=N[N-]1	REAL250004576744	0	26	-1.0	-53.22	252.49	5.93	-47.29
CN(C(=O)C1=C2OC=CC2=CC=C1Cl)C1=N[N-]N=N1	REAL250004576744	1	26	-1.0	-53.15	252.63	5.92	-47.23
CC1=CSC2=C(C(=O)N(C)C3=NN=N[N-]3)N=CN=C12	REAL250004576745	0	27	-1.0	-45.64	250.62	5.96	-39.68
CC1=CSC2=C(C(=O)N(C)C3=N[N-]N=N3)N=CN=C12	REAL250004576745	1	27	-1.0	-45.53	250.76	5.94	-39.59
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576746	0	30	-1.0	-47.30	269.90	7.02	-40.28
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576746	1	30	-1.0	-47.40	269.75	7.01	-40.39
COC(=O)C1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576747	0	32	-1.0	-51.04	284.03	6.22	-44.82
COC(=O)C1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576747	1	32	-1.0	-51.00	284.17	6.21	-44.79
C[C@H](C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004576748	0	32	-1.0	-33.59	266.57	4.99	-28.60
C[C@H](C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004576748	1	32	-1.0	-33.66	266.44	5.01	-28.65
CC1=CN(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)N=C1	REAL250004576749	0	33	-1.0	-57.81	283.26	6.78	-51.03
CC1=CN(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)N=C1	REAL250004576749	1	33	-1.0	-57.73	283.39	6.79	-50.94
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576750	0	32	-1.0	-45.93	274.42	7.09	-38.84
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576750	1	32	-1.0	-46.01	274.29	7.10	-38.91
CN(C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004576751	0	29	-1.0	-49.90	254.75	7.27	-42.63
CN(C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004576751	1	29	-1.0	-49.78	254.88	7.25	-42.53
CN(C(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL250004576752	0	27	-1.0	-44.40	244.04	4.68	-39.72
CN(C(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL250004576752	1	27	-1.0	-44.29	244.17	4.66	-39.63
CN(C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004576753	0	36	-1.0	-50.48	286.78	5.36	-45.12
CN(C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004576753	1	36	-1.0	-50.59	286.65	5.38	-45.21
CC1=CC(CC2(C(=O)N(C)C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004576754	0	36	-1.0	-52.54	305.91	8.46	-44.08
CC1=CC(CC2(C(=O)N(C)C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004576754	1	36	-1.0	-52.65	305.77	8.47	-44.18
CC1=CC(F)=CC=C1CC1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576755	0	36	-1.0	-52.61	285.89	7.59	-45.02
CC1=CC(F)=CC=C1CC1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576755	1	36	-1.0	-52.69	285.77	7.59	-45.10
CN(C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004576756	0	36	-1.0	-50.41	287.20	7.94	-42.47
CN(C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004576756	1	36	-1.0	-50.46	287.07	7.96	-42.50
COC(=O)C1=NC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004576757	0	34	-1.0	-53.63	292.82	5.40	-48.23
COC(=O)C1=NC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004576757	1	34	-1.0	-53.55	292.95	5.36	-48.19
CNC(=O)C1=CN=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576759	0	33	-1.0	-54.67	290.44	2.96	-51.71
CNC(=O)C1=CN=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576759	1	33	-1.0	-54.82	290.29	2.98	-51.84
CN(C(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004576760	0	26	-1.0	-48.61	250.84	5.17	-43.44
CN(C(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004576760	1	26	-1.0	-48.71	250.70	5.18	-43.53
CN(C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004576761	0	32	-1.0	-50.31	277.53	6.79	-43.52
CN(C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004576761	1	32	-1.0	-50.25	277.68	6.78	-43.47
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576762	0	30	-1.0	-47.30	269.90	7.02	-40.28
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576762	1	30	-1.0	-47.40	269.75	7.01	-40.39
CN(C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL250004576763	0	29	-1.0	-44.31	265.48	6.35	-37.96
CN(C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL250004576763	1	29	-1.0	-44.24	265.62	6.35	-37.89
CC1=CC=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576764	0	29	-1.0	-42.11	258.29	6.59	-35.52
CC1=CC=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576764	1	29	-1.0	-42.12	258.15	6.63	-35.49
COC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004576765	0	28	-1.0	-49.86	252.25	3.60	-46.26
COC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004576765	1	28	-1.0	-49.76	252.40	3.61	-46.15
CSC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004576766	0	30	-1.0	-45.50	285.36	7.44	-38.06
CSC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004576766	1	30	-1.0	-45.58	285.23	7.47	-38.11
CC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004576767	0	31	-1.0	-46.38	264.78	5.85	-40.53
CC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004576767	1	31	-1.0	-46.27	264.92	5.85	-40.42
COC1=C(F)C=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004576768	0	27	-1.0	-50.47	245.51	4.44	-46.03
COC1=C(F)C=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004576768	1	27	-1.0	-50.43	245.65	4.44	-45.99
CN(C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL250004576769	0	29	-1.0	-47.24	256.96	4.77	-42.47
CN(C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL250004576769	1	29	-1.0	-47.18	257.10	4.76	-42.42
CN(C(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL250004576770	0	32	-1.0	-54.51	260.48	1.98	-52.53
CN(C(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL250004576770	1	32	-1.0	-54.59	260.34	2.00	-52.59
CCCC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576771	0	35	-1.0	-47.65	294.25	8.19	-39.46
CCCC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576771	1	35	-1.0	-47.74	294.11	8.22	-39.52
CC(C)N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004576772	0	32	-1.0	-56.51	262.70	5.22	-51.29
CC(C)N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004576772	1	32	-1.0	-56.43	262.84	5.22	-51.21
CN(C(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004576773	0	35	-1.0	-55.76	299.60	5.01	-50.75
CN(C(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004576773	1	35	-1.0	-55.87	299.46	5.04	-50.83
CC(C(=O)N(C)C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL250004576774	0	35	-1.0	-44.96	283.03	7.47	-37.49
CC(C(=O)N(C)C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL250004576774	1	35	-1.0	-45.03	282.90	7.50	-37.53
C=CC1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004576775	0	34	-1.0	-45.40	257.97	4.39	-41.01
C=CC1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004576775	1	34	-1.0	-45.48	257.84	4.42	-41.06
CN(C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL250004576776	0	30	-1.0	-56.91	269.18	7.15	-49.76
CN(C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL250004576776	1	30	-1.0	-56.81	269.33	7.14	-49.67
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576777	0	30	-1.0	-46.19	263.80	6.96	-39.23
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576777	1	30	-1.0	-46.09	263.95	6.96	-39.13
CCCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576778	0	31	-1.0	-47.61	275.90	5.93	-41.68
CCCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576778	1	31	-1.0	-47.66	275.75	5.95	-41.71
CN(C(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL250004576779	0	28	-1.0	-54.19	250.94	5.54	-48.65
CN(C(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL250004576779	1	28	-1.0	-54.12	251.08	5.54	-48.58
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL250004576780	0	32	-1.0	-51.48	286.88	5.44	-46.04
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL250004576780	1	32	-1.0	-51.57	286.74	5.47	-46.10
CN(C(=O)C1(C)CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004576781	0	38	-1.0	-31.85	264.20	6.13	-25.72
CN(C(=O)C1(C)CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004576781	1	38	-1.0	-31.85	264.07	6.14	-25.71
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576782	0	34	-1.0	-47.02	285.29	6.70	-40.32
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576782	1	34	-1.0	-46.95	285.43	6.69	-40.26
CN(C(=O)C1(C#N)CC1C(F)(F)F)C1=N[N-]N=N1	REAL250004576783	0	24	-1.0	-41.34	231.16	4.36	-36.98
CN(C(=O)C1(C#N)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004576783	1	24	-1.0	-41.43	231.02	4.40	-37.03
CN(C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004576784	0	26	-1.0	-50.99	251.20	4.25	-46.74
CN(C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004576784	1	26	-1.0	-50.92	251.34	4.23	-46.69
CN(C(=O)C12CC(F)(F)CC1CCCC2)C1=N[N-]N=N1	REAL250004576785	0	36	-1.0	-51.63	267.60	6.55	-45.08
CN(C(=O)C12CC(F)(F)CC1CCCC2)C1=NN=N[N-]1	REAL250004576785	1	36	-1.0	-51.76	267.47	6.57	-45.19
CC1=CC=CC(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004576786	0	32	-1.0	-41.69	282.37	6.89	-34.80
CC1=CC=CC(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004576786	1	32	-1.0	-41.64	282.50	6.87	-34.77
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004576787	0	34	-1.0	-49.05	285.60	7.02	-42.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004576787	1	34	-1.0	-48.97	285.73	6.99	-41.98
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004576788	0	37	-1.0	-49.59	304.34	7.71	-41.88
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004576788	1	37	-1.0	-49.53	304.48	7.69	-41.84
CN(C(=O)C12CCOC1CCOC2)C1=N[N-]N=N1	REAL250004576789	0	32	-1.0	-53.48	241.57	2.27	-51.21
CN(C(=O)C12CCOC1CCOC2)C1=NN=N[N-]1	REAL250004576789	1	32	-1.0	-53.59	241.44	2.28	-51.31
CC(=O)CC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004576790	0	34	-1.0	-60.16	260.76	6.25	-53.91
CC(=O)CC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004576790	1	34	-1.0	-60.29	260.62	6.25	-54.04
CN(C(=O)C(C1CC1)C1CCCO1)C1=N[N-]N=N1	REAL250004576791	0	34	-1.0	-45.25	268.95	5.33	-39.92
CN(C(=O)C(C1CC1)C1CCCO1)C1=NN=N[N-]1	REAL250004576791	1	34	-1.0	-45.31	268.81	5.36	-39.95
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004576792	0	32	-1.0	-48.48	279.28	6.80	-41.68
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004576792	1	32	-1.0	-48.40	279.43	6.79	-41.61
CCOC(=O)C12CC(C(=O)N(C)C3=N[N-]N=N3)(C1)OC2	REAL250004576793	0	34	-1.0	-46.27	289.10	4.77	-41.50
CCOC(=O)C12CC(C(=O)N(C)C3=NN=N[N-]3)(C1)OC2	REAL250004576793	1	34	-1.0	-46.38	288.97	4.78	-41.60
CN(C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL250004576794	0	42	-1.0	-47.07	315.66	6.50	-40.57
CN(C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL250004576794	1	42	-1.0	-47.17	315.53	6.52	-40.65
CN(C(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL250004576795	0	33	-1.0	-54.97	268.46	6.89	-48.08
CN(C(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL250004576795	1	33	-1.0	-55.05	268.33	6.91	-48.14
CN(C(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL250004576796	0	33	-1.0	-60.68	285.14	5.52	-55.16
CN(C(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL250004576796	1	33	-1.0	-60.57	285.28	5.48	-55.09
CN(C(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004576797	0	27	-1.0	-46.85	247.66	4.05	-42.80
CN(C(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004576797	1	27	-1.0	-46.90	247.53	4.07	-42.83
CN(C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL250004576798	0	30	-1.0	-49.93	256.73	2.01	-47.92
CN(C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL250004576798	1	30	-1.0	-49.83	256.87	1.99	-47.84
CN(C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576799	0	32	-1.0	-48.44	281.40	7.35	-41.09
CN(C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576799	1	32	-1.0	-48.51	281.27	7.37	-41.14
CN(C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004576800	0	29	-1.0	-53.90	260.25	5.65	-48.25
CN(C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004576800	1	29	-1.0	-53.83	260.39	5.63	-48.20
CN(C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL250004576801	0	27	-1.0	-55.88	250.93	0.97	-54.91
CN(C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL250004576801	1	27	-1.0	-55.97	250.80	1.01	-54.96
CN(C(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL250004576802	0	34	-1.0	-48.50	276.84	5.51	-42.99
CN(C(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL250004576802	1	34	-1.0	-48.46	276.98	5.51	-42.95
CN(C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL250004576803	0	29	-1.0	-44.08	265.65	4.08	-40.00
CN(C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL250004576803	1	29	-1.0	-44.02	265.79	4.07	-39.95
CN(C(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004576804	0	32	-1.0	-46.69	258.00	5.56	-41.13
CN(C(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004576804	1	32	-1.0	-46.56	258.14	5.56	-41.00
CC1=CC=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004576805	0	29	-1.0	-52.18	247.09	5.30	-46.88
CC1=CC=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004576805	1	29	-1.0	-52.09	247.22	5.29	-46.80
C=CCNC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576806	0	34	-1.0	-50.68	292.35	4.58	-46.10
C=CCNC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576806	1	34	-1.0	-50.60	292.49	4.59	-46.01
CN(C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL250004576807	0	32	-1.0	-48.10	283.47	6.82	-41.28
CN(C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL250004576807	1	32	-1.0	-48.03	283.61	6.81	-41.22
CC1=C2N=C(C(=O)N(C)C3=NN=N[N-]3)C=CN2N=C1	REAL250004576808	0	28	-1.0	-45.22	248.59	5.57	-39.65
CC1=C2N=C(C(=O)N(C)C3=N[N-]N=N3)C=CN2N=C1	REAL250004576808	1	28	-1.0	-45.15	248.73	5.55	-39.60
CN(C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004576809	0	26	-1.0	-52.47	244.65	5.89	-46.58
CN(C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004576809	1	26	-1.0	-52.57	244.51	5.89	-46.68
CN(C(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL250004576810	0	25	-1.0	-57.42	237.52	5.16	-52.26
CN(C(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL250004576810	1	25	-1.0	-57.34	237.64	5.15	-52.19
CN(C(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL250004576811	0	25	-1.0	-47.20	231.62	5.06	-42.14
CN(C(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL250004576811	1	25	-1.0	-47.14	231.75	5.04	-42.10
CN(C(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL250004576812	0	26	-1.0	-47.64	246.88	6.39	-41.25
CN(C(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL250004576812	1	26	-1.0	-47.55	247.02	6.37	-41.18
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004576813	0	36	-1.0	-49.91	298.99	8.98	-40.93
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004576813	1	36	-1.0	-49.83	299.12	8.99	-40.84
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576814	0	36	-1.0	-48.38	296.52	8.99	-39.39
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576814	1	36	-1.0	-48.30	296.65	8.98	-39.32
COC1=CC(OC)=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576815	0	31	-1.0	-50.34	272.40	4.04	-46.30
COC1=CC(OC)=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576815	1	31	-1.0	-50.27	272.54	4.05	-46.22
CN(C(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL250004576816	0	29	-1.0	-50.43	250.55	5.04	-45.39
CN(C(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL250004576816	1	29	-1.0	-50.47	250.42	5.08	-45.39
CN(C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576817	0	38	-1.0	-47.06	289.31	8.68	-38.38
CN(C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576817	1	38	-1.0	-47.14	289.19	8.70	-38.44
CN(C(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL250004576818	0	35	-1.0	-35.23	261.39	6.38	-28.85
CN(C(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL250004576818	1	35	-1.0	-35.21	261.12	6.44	-28.77
CC1=C(C#N)C(C(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004576819	0	27	-1.0	-54.87	260.65	5.85	-49.02
CC1=C(C#N)C(C(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004576819	1	27	-1.0	-54.81	260.79	5.84	-48.97
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004576820	0	28	-1.0	-58.95	252.97	7.16	-51.79
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004576820	1	28	-1.0	-58.90	253.11	7.16	-51.74
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004576821	0	35	-1.0	-49.79	302.11	8.65	-41.14
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004576821	1	35	-1.0	-49.75	302.25	8.64	-41.11
CN(C(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL250004576822	0	22	-1.0	-40.56	228.65	3.18	-37.38
CN(C(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL250004576822	1	22	-1.0	-40.46	228.79	3.16	-37.30
CN(C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL250004576823	0	32	-1.0	-45.12	280.50	7.36	-37.76
CN(C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL250004576823	1	32	-1.0	-45.21	280.37	7.38	-37.83
CC1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1C	REAL250004576824	0	38	-1.0	-47.38	277.30	6.99	-40.39
CC1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1C	REAL250004576824	1	38	-1.0	-47.41	277.17	7.00	-40.41
CN(C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=N[N-]N=N1	REAL250004576825	0	36	-1.0	-35.87	259.69	5.63	-30.24
CN(C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=NN=N[N-]1	REAL250004576825	1	36	-1.0	-35.89	259.57	5.64	-30.25
CN(C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=N[N-]N=N1	REAL250004576826	0	33	-1.0	-44.95	249.96	5.93	-39.02
CN(C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=NN=N[N-]1	REAL250004576826	1	33	-1.0	-45.03	249.83	5.96	-39.07
CN(C(=O)C1=CC=CC=C1CC(F)(F)F)C1=N[N-]N=N1	REAL250004576827	0	29	-1.0	-48.82	260.15	6.62	-42.20
CN(C(=O)C1=CC=CC=C1CC(F)(F)F)C1=NN=N[N-]1	REAL250004576827	1	29	-1.0	-48.91	260.03	6.62	-42.29
CN(C(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004576828	0	27	-1.0	-48.16	244.59	3.49	-44.67
CN(C(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004576828	1	27	-1.0	-48.07	244.73	3.49	-44.58
CN(C(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004576829	0	28	-1.0	-48.62	255.09	3.54	-45.08
CN(C(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004576829	1	28	-1.0	-48.57	255.22	3.50	-45.07
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004576830	0	29	-1.0	-40.01	257.62	6.36	-33.65
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004576830	1	29	-1.0	-40.10	257.48	6.40	-33.70
CN(C(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004576831	0	29	-1.0	-45.36	261.28	4.77	-40.59
CN(C(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004576831	1	29	-1.0	-45.30	261.42	4.73	-40.57
CN(C(=O)C1=C(CN2CCOCC2)C=CO1)C1=N[N-]N=N1	REAL250004576832	0	36	-1.0	-48.27	295.33	2.61	-45.66
CN(C(=O)C1=C(CN2CCOCC2)C=CO1)C1=NN=N[N-]1	REAL250004576832	1	36	-1.0	-48.33	295.19	2.61	-45.72
CN(C(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004576833	0	32	-1.0	-54.26	268.34	2.26	-52.00
CN(C(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004576833	1	32	-1.0	-54.37	268.20	2.29	-52.08
CN(C(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL250004576834	0	26	-1.0	-48.75	237.77	3.90	-44.85
CN(C(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL250004576834	1	26	-1.0	-48.70	237.91	3.87	-44.83
CC1=NN=NN1C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004576835	0	34	-1.0	-58.82	291.78	5.70	-53.12
CC1=NN=NN1C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004576835	1	34	-1.0	-58.76	291.92	5.68	-53.08
CN(C(=O)C1CCCN1C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004576836	0	33	-1.0	-52.22	274.44	3.43	-48.79
CN(C(=O)C1CCCN1C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004576836	1	33	-1.0	-52.15	274.57	3.41	-48.74
CC1=CC=C(C=CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576837	0	33	-1.0	-49.44	282.31	7.96	-41.48
CC1=CC=C(C=CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576837	1	33	-1.0	-49.47	282.17	7.99	-41.48
CN(C(=O)C1=CNC2=CC=NN2C1=O)C1=NN=N[N-]1	REAL250004576838	0	26	-1.0	-64.39	237.79	2.89	-61.50
CN(C(=O)C1=CNC2=CC=NN2C1=O)C1=N[N-]N=N1	REAL250004576838	1	26	-1.0	-64.34	237.93	2.87	-61.47
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC2(CCC2)C1	REAL250004576839	0	39	-1.0	-45.00	311.31	7.20	-37.80
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC2(CCC2)C1	REAL250004576839	1	39	-1.0	-45.06	311.18	7.22	-37.84
CC(C)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004576840	0	32	-1.0	-53.37	268.69	6.90	-46.47
CC(C)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004576840	1	32	-1.0	-53.29	268.83	6.89	-46.40
CC(C)C1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576841	0	32	-1.0	-51.16	266.23	6.86	-44.30
CC(C)C1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576841	1	32	-1.0	-51.09	266.36	6.87	-44.22
CN(C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004576842	0	29	-1.0	-54.36	252.47	7.19	-47.17
CN(C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004576842	1	29	-1.0	-54.29	252.62	7.19	-47.10
CN(C(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004576843	0	29	-1.0	-51.14	251.62	6.06	-45.08
CN(C(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004576843	1	29	-1.0	-51.08	251.76	6.04	-45.04
CN(C(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004576844	0	31	-1.0	-48.00	274.77	1.35	-46.65
CN(C(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004576844	1	31	-1.0	-48.08	274.63	1.38	-46.70
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004576845	0	39	-1.0	-48.87	279.90	7.63	-41.24
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004576845	1	39	-1.0	-48.82	280.03	7.61	-41.21
CN(C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL250004576846	0	29	-1.0	-47.68	261.48	6.58	-41.10
CN(C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL250004576846	1	29	-1.0	-47.76	261.34	6.58	-41.18
CN(C(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004576847	0	24	-1.0	-45.37	225.33	2.95	-42.42
CN(C(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004576847	1	24	-1.0	-45.30	225.47	2.93	-42.37
CN(C(=O)C1=CON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004576848	0	29	-1.0	-47.97	252.10	6.05	-41.92
CN(C(=O)C1=CON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004576848	1	29	-1.0	-47.88	252.25	6.04	-41.84
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576849	0	37	-1.0	-50.93	297.97	8.55	-42.38
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576849	1	37	-1.0	-50.90	298.12	8.53	-42.37
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576850	0	37	-1.0	-51.01	298.47	8.53	-42.48
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576850	1	37	-1.0	-50.96	298.61	8.54	-42.42
CN(C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL250004576851	0	32	-1.0	-44.89	279.98	7.41	-37.48
CN(C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL250004576851	1	32	-1.0	-44.94	279.85	7.43	-37.51
CN(C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL250004576852	0	33	-1.0	-58.93	290.75	5.68	-53.25
CN(C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL250004576852	1	33	-1.0	-58.96	290.61	5.71	-53.25
CCN1C(C)=NN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004576853	0	32	-1.0	-60.22	280.64	5.13	-55.09
CCN1C(C)=NN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004576853	1	32	-1.0	-60.27	280.50	5.16	-55.11
CN(C(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004576854	0	31	-1.0	-47.04	261.43	2.50	-44.54
CN(C(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004576854	1	31	-1.0	-46.95	261.58	2.50	-44.45
CN(C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004576855	0	32	-1.0	-53.66	265.38	6.77	-46.89
CN(C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004576855	1	32	-1.0	-53.76	265.25	6.76	-47.00
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576856	0	34	-1.0	-50.92	287.65	5.53	-45.39
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576856	1	34	-1.0	-50.85	287.75	5.51	-45.34
COCC1(C(=O)N(C)C2=N[N-]N=N2)CC=CCC1	REAL250004576857	0	34	-1.0	-52.04	260.71	4.47	-47.57
COCC1(C(=O)N(C)C2=NN=N[N-]2)CC=CCC1	REAL250004576857	1	34	-1.0	-52.17	260.58	4.48	-47.69
CN(C(=O)C1CCOCC12CCCCC2)C1=N[N-]N=N1	REAL250004576858	0	40	-1.0	-31.62	278.57	5.49	-26.13
CN(C(=O)C1CCOCC12CCCCC2)C1=NN=N[N-]1	REAL250004576858	1	40	-1.0	-31.55	278.31	5.50	-26.05
CN(C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=N[N-]N=N1	REAL250004576859	0	32	-1.0	-52.39	271.17	7.10	-45.29
CN(C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=NN=N[N-]1	REAL250004576859	1	32	-1.0	-52.50	271.03	7.10	-45.40
CN(C(=O)C1(C2=CC=CC=C2)CCOC1)C1=NN=N[N-]1	REAL250004576860	0	34	-1.0	-50.43	267.41	5.07	-45.36
CN(C(=O)C1(C2=CC=CC=C2)CCOC1)C1=N[N-]N=N1	REAL250004576860	1	34	-1.0	-50.35	267.54	5.05	-45.30
CC1=CC=C(C2CCCCC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576861	0	42	-1.0	-48.60	320.76	9.23	-39.37
CC1=CC=C(C2CCCCC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576861	1	42	-1.0	-48.71	320.62	9.26	-39.45
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)C1=N[N-]N=N1	REAL250004576862	0	33	-1.0	-48.79	287.33	7.37	-41.42
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)C1=NN=N[N-]1	REAL250004576862	1	33	-1.0	-48.88	287.20	7.40	-41.48
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576863	0	31	-1.0	-50.27	278.78	1.09	-49.18
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576863	1	31	-1.0	-50.32	278.64	1.08	-49.24
CN(C(=O)CCCNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004576864	0	33	-1.0	-49.99	282.97	3.69	-46.30
CN(C(=O)CCCNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004576864	1	33	-1.0	-50.07	282.84	3.72	-46.35
CC1=NOC(CCCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576865	0	30	-1.0	-54.29	264.33	3.16	-51.13
CC1=NOC(CCCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576865	1	30	-1.0	-54.39	264.20	3.18	-51.21
CC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004576866	0	36	-1.0	-50.43	291.98	7.54	-42.89
CC1=CC=C(OC(C)C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004576866	1	36	-1.0	-50.52	291.84	7.56	-42.96
CN(C(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004576868	0	31	-1.0	-52.60	269.76	3.73	-48.87
CN(C(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004576868	1	31	-1.0	-52.68	269.62	3.75	-48.93
CN(C(=O)C1CCCC(C(N)=O)C1)C1=N[N-]N=N1	REAL250004576869	0	33	-1.0	-38.26	262.10	2.28	-35.98
CN(C(=O)C1CCCC(C(N)=O)C1)C1=NN=N[N-]1	REAL250004576869	1	33	-1.0	-38.26	261.96	2.30	-35.96
CN(C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004576870	0	29	-1.0	-50.11	265.04	7.70	-42.41
CN(C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004576870	1	29	-1.0	-50.01	265.18	7.68	-42.33
CN(C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL250004576872	0	32	-1.0	-46.42	278.55	6.65	-39.77
CN(C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL250004576872	1	32	-1.0	-46.37	278.69	6.64	-39.73
COC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576873	0	32	-1.0	-50.68	272.39	6.16	-44.52
COC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576873	1	32	-1.0	-50.59	272.54	6.15	-44.44
CN(C(=O)C1=C(C(F)(F)F)NC=N1)C1=N[N-]N=N1	REAL250004576874	0	23	-1.0	-52.14	220.85	4.45	-47.69
CN(C(=O)C1=C(C(F)(F)F)NC=N1)C1=NN=N[N-]1	REAL250004576874	1	23	-1.0	-52.20	220.64	4.47	-47.73
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL250004576875	0	35	-1.0	-53.03	293.15	5.98	-47.05
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL250004576875	1	35	-1.0	-52.95	293.35	5.96	-46.99
C=CCCC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004576876	0	38	-1.0	-46.41	294.50	7.26	-39.15
C=CCCC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004576876	1	38	-1.0	-46.46	294.36	7.28	-39.18
CN(C(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004576877	0	33	-1.0	-39.91	267.11	4.67	-35.24
CN(C(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004576877	1	33	-1.0	-39.98	266.98	4.68	-35.30
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576878	0	30	-1.0	-48.53	275.38	-0.88	-49.41
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576878	1	30	-1.0	-48.46	275.52	-0.90	-49.36
COCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004576879	0	33	-1.0	-46.31	278.65	3.08	-43.23
COCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004576879	1	33	-1.0	-46.40	278.51	3.09	-43.31
CN(C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL250004576880	0	30	-1.0	-47.86	268.02	7.36	-40.50
CN(C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL250004576880	1	30	-1.0	-47.77	268.16	7.36	-40.41
CN(C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576881	0	30	-1.0	-52.61	258.78	5.86	-46.75
CN(C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576881	1	30	-1.0	-52.58	258.92	5.88	-46.70
CC(C)COC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004576882	0	38	-1.0	-49.80	299.89	6.59	-43.21
CC(C)COC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004576882	1	38	-1.0	-49.92	299.75	6.60	-43.32
CC1=C(C(=O)N(C)C2=NN=N[N-]2)CN2N=CN=C2N1C	REAL250004576883	0	32	-1.0	-46.79	267.86	7.22	-39.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)CN2N=CN=C2N1C	REAL250004576883	1	32	-1.0	-46.73	268.01	7.20	-39.53
CN(C(=O)C1COCCN1CC(F)F)C1=N[N-]N=N1	REAL250004576884	0	32	-1.0	-45.08	250.45	1.05	-44.03
CN(C(=O)C1COCCN1CC(F)F)C1=NN=N[N-]1	REAL250004576884	1	32	-1.0	-45.13	250.31	1.06	-44.07
CC1=C(C(=O)N(C)C2=NN=N[N-]2)CN2N=NN=C2N1C	REAL250004576885	0	31	-1.0	-44.71	262.16	4.87	-39.84
CC1=C(C(=O)N(C)C2=N[N-]N=N2)CN2N=NN=C2N1C	REAL250004576885	1	31	-1.0	-44.62	262.30	4.85	-39.77
CN(C(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL250004576887	0	34	-1.0	-50.37	297.71	8.45	-41.92
CN(C(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL250004576887	1	34	-1.0	-50.48	297.57	8.49	-41.99
CNC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576888	0	35	-1.0	-54.89	275.56	2.98	-51.91
CNC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576888	1	35	-1.0	-54.97	275.42	3.00	-51.97
CN(C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL250004576889	0	28	-1.0	-45.22	257.99	5.78	-39.44
CN(C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL250004576889	1	28	-1.0	-45.13	258.13	5.77	-39.36
CC1=CC2=CC=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576890	0	31	-1.0	-59.11	262.02	6.30	-52.81
CC1=CC2=CC=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576890	1	31	-1.0	-59.05	262.16	6.29	-52.76
CN(C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004576891	0	33	-1.0	-56.89	285.95	6.25	-50.64
CN(C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004576891	1	33	-1.0	-56.78	286.10	6.24	-50.54
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004576892	0	31	-1.0	-48.91	268.13	5.88	-43.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004576892	1	31	-1.0	-48.85	268.27	5.88	-42.97
COC1(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)COC1	REAL250004576893	0	35	-1.0	-52.89	282.25	4.20	-48.69
COC1(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)COC1	REAL250004576893	1	35	-1.0	-52.98	282.11	4.19	-48.79
CC(C)N1C=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004576894	0	36	-1.0	-55.00	293.57	8.02	-46.98
CC(C)N1C=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004576894	1	36	-1.0	-54.82	294.02	8.00	-46.82
CN(C(=O)[C@H]1C[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004576895	0	33	-1.0	-49.80	272.06	7.71	-42.09
CN(C(=O)[C@H]1C[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004576895	1	33	-1.0	-49.90	271.93	7.72	-42.18
CCC(CC(=O)N(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004576896	0	31	-1.0	-49.80	255.30	5.77	-44.03
CCC(CC(=O)N(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004576896	1	31	-1.0	-49.89	255.17	5.79	-44.10
CN(C(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL250004576897	0	27	-1.0	-49.57	238.35	4.30	-45.27
CN(C(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL250004576897	1	27	-1.0	-49.64	238.21	4.32	-45.32
CN(C(=O)C12CCN(CCC1)S2(=O)=O)C1=N[N-]N=N1	REAL250004576898	0	32	-1.0	-56.91	256.17	1.19	-55.72
CN(C(=O)C12CCN(CCC1)S2(=O)=O)C1=NN=N[N-]1	REAL250004576898	1	32	-1.0	-57.00	256.03	1.21	-55.79
CN(C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004576899	0	32	-1.0	-56.28	284.74	4.16	-52.12
CN(C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004576899	1	32	-1.0	-56.22	284.87	4.14	-52.08
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2(F)F)=C1	REAL250004576900	0	33	-1.0	-51.59	286.53	7.68	-43.91
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2(F)F)=C1	REAL250004576900	1	33	-1.0	-51.62	286.39	7.69	-43.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL250004576901	0	32	-1.0	-48.15	264.96	7.78	-40.37
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL250004576901	1	32	-1.0	-48.05	265.11	7.76	-40.29
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004576902	0	32	-1.0	-47.15	277.65	3.53	-43.62
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004576902	1	32	-1.0	-47.24	277.51	3.56	-43.68
CN(C(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL250004576903	0	31	-1.0	-52.17	260.01	3.37	-48.80
CN(C(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL250004576903	1	31	-1.0	-52.09	260.15	3.37	-48.72
CN(C(=O)C1(C2CCOCC2)CC1(F)F)C1=N[N-]N=N1	REAL250004576904	0	34	-1.0	-53.85	274.90	4.64	-49.21
CN(C(=O)C1(C2CCOCC2)CC1(F)F)C1=NN=N[N-]1	REAL250004576904	1	34	-1.0	-53.92	274.77	4.66	-49.26
CN(C(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL250004576905	0	27	-1.0	-46.17	242.28	5.58	-40.59
CN(C(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL250004576905	1	27	-1.0	-46.05	242.43	5.58	-40.47
CN(C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=N[N-]N=N1	REAL250004576906	0	30	-1.0	-52.27	276.17	7.36	-44.91
CN(C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=NN=N[N-]1	REAL250004576906	1	30	-1.0	-52.38	276.03	7.39	-44.99
CC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004576907	0	24	-1.0	-52.70	233.63	3.45	-49.25
CC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004576907	1	24	-1.0	-52.77	233.49	3.48	-49.29
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004576908	0	30	-1.0	-53.47	267.07	3.95	-49.52
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004576908	1	30	-1.0	-53.44	267.21	3.94	-49.50
CN(C(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL250004576909	0	26	-1.0	-49.40	251.50	5.18	-44.22
CN(C(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL250004576909	1	26	-1.0	-49.49	251.36	5.21	-44.28
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=C(C)S1	REAL250004576910	0	29	-1.0	-46.55	273.89	6.84	-39.71
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=C(C)S1	REAL250004576910	1	29	-1.0	-46.48	274.03	6.81	-39.67
CN(C(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL250004576911	0	36	-1.0	-51.08	278.70	6.01	-45.07
CN(C(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL250004576911	1	36	-1.0	-51.20	278.56	6.03	-45.17
CN(C(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004576912	0	30	-1.0	-50.78	269.39	7.49	-43.29
CN(C(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004576912	1	30	-1.0	-50.75	269.53	7.46	-43.29
COC1=CC2=NC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004576913	0	32	-1.0	-46.66	271.56	4.61	-42.05
COC1=CC2=NC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004576913	1	32	-1.0	-46.61	271.55	4.61	-42.00
CCSC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576914	0	36	-1.0	-32.13	281.41	7.40	-24.73
CCSC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576914	1	36	-1.0	-32.22	281.26	7.42	-24.80
CC1=CC(CCC(=O)N(C)C2=N[N-]N=N2)=CC(C)=N1	REAL250004576915	0	34	-1.0	-46.96	289.37	6.24	-40.72
CC1=CC(CCC(=O)N(C)C2=NN=N[N-]2)=CC(C)=N1	REAL250004576915	1	34	-1.0	-47.02	289.23	6.26	-40.76
CC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004576916	0	32	-1.0	-48.06	270.60	7.84	-40.22
CC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004576916	1	32	-1.0	-47.97	270.73	7.84	-40.13
CN(C(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004576917	0	20	-1.0	-47.86	221.70	5.02	-42.84
CN(C(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004576917	1	20	-1.0	-47.95	221.56	5.03	-42.92
CC1=NN(C2CCC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576918	0	33	-1.0	-48.26	270.95	5.31	-42.95
CC1=NN(C2CCC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576918	1	33	-1.0	-48.18	271.09	5.28	-42.90
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL250004576919	0	30	-1.0	-47.91	266.77	6.19	-41.72
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL250004576919	1	30	-1.0	-47.86	266.91	6.16	-41.70
CCC1=C(C)SC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576920	0	29	-1.0	-47.56	251.97	6.09	-41.47
CCC1=C(C)SC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576920	1	29	-1.0	-47.47	252.14	6.09	-41.38
CN(C(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004576921	0	27	-1.0	-48.54	248.43	3.81	-44.73
CN(C(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004576921	1	27	-1.0	-48.63	248.30	3.84	-44.79
CN(C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL250004576922	0	26	-1.0	-53.96	249.66	0.84	-53.12
CN(C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL250004576922	1	26	-1.0	-54.06	249.51	0.87	-53.19
CN(C(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004576923	0	34	-1.0	-50.03	283.58	6.06	-43.97
CN(C(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004576923	1	34	-1.0	-50.10	283.44	6.09	-44.01
CN(C(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004576924	0	34	-1.0	-50.01	283.58	6.05	-43.96
CN(C(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004576924	1	34	-1.0	-50.09	283.44	6.09	-44.00
CN(C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL250004576925	0	32	-1.0	-45.66	278.55	6.65	-39.01
CN(C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL250004576925	1	32	-1.0	-45.55	278.69	6.63	-38.92
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL250004576926	0	25	-1.0	-44.25	239.14	5.30	-38.95
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL250004576926	1	25	-1.0	-44.30	239.00	5.32	-38.98
CN(C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576927	0	30	-1.0	-53.78	266.64	6.19	-47.59
CN(C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576927	1	30	-1.0	-53.71	266.77	6.19	-47.52
CCC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004576928	0	35	-1.0	-45.23	302.30	6.75	-38.48
CCC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004576928	1	35	-1.0	-45.13	302.45	6.72	-38.41
CN(C(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL250004576929	0	32	-1.0	-48.68	260.82	6.36	-42.32
CN(C(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL250004576929	1	32	-1.0	-48.79	260.68	6.37	-42.42
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL250004576930	0	38	-1.0	-50.45	301.31	7.34	-43.11
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL250004576930	1	38	-1.0	-50.44	301.45	7.35	-43.09
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004576931	0	23	-1.0	-47.19	227.88	5.13	-42.06
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004576931	1	23	-1.0	-47.28	227.73	5.14	-42.14
CN(C(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004576932	0	34	-1.0	-32.18	270.18	4.83	-27.35
CN(C(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004576932	1	34	-1.0	-32.28	270.03	4.85	-27.43
CN(C(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL250004576933	0	23	-1.0	-47.49	234.76	3.88	-43.61
CN(C(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL250004576933	1	23	-1.0	-47.39	234.91	3.89	-43.50
CN(C(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL250004576934	0	28	-1.0	-68.97	243.75	3.49	-65.48
CN(C(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL250004576934	1	28	-1.0	-68.83	243.88	3.48	-65.35
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004576935	0	29	-1.0	-47.60	257.58	6.70	-40.90
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004576935	1	29	-1.0	-47.54	257.72	6.70	-40.84
CN(C(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL250004576936	0	33	-1.0	-47.30	277.47	7.92	-39.38
CN(C(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL250004576936	1	33	-1.0	-47.26	277.61	7.93	-39.33
CN(C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL250004576937	0	25	-1.0	-50.52	247.33	4.87	-45.65
CN(C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL250004576937	1	25	-1.0	-50.44	247.48	4.85	-45.59
CN(C(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004576938	0	30	-1.0	-48.95	277.55	7.18	-41.77
CN(C(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004576938	1	30	-1.0	-49.02	277.42	7.22	-41.80
CN(C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL250004576939	0	29	-1.0	-50.51	256.75	2.19	-48.32
CN(C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL250004576939	1	29	-1.0	-50.44	256.89	2.19	-48.25
CN(C(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004576940	0	32	-1.0	-45.43	260.74	5.54	-39.89
CN(C(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004576940	1	32	-1.0	-45.34	260.87	5.53	-39.81
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576941	0	31	-1.0	-47.16	269.94	6.91	-40.25
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576941	1	31	-1.0	-47.11	270.08	6.90	-40.21
CN(C(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004576942	0	33	-1.0	-45.06	278.69	7.83	-37.23
CN(C(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004576942	1	33	-1.0	-45.12	278.55	7.86	-37.26
CC(C)N1C=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004576943	0	36	-1.0	-51.62	295.80	8.02	-43.60
CC(C)N1C=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004576943	1	36	-1.0	-51.56	295.95	8.03	-43.53
C=CCOCC(C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004576944	0	39	-1.0	-44.37	298.96	6.02	-38.35
C=CCOCC(C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004576944	1	39	-1.0	-44.39	298.83	6.05	-38.34
CN(C(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004576945	0	26	-1.0	-44.15	243.55	3.65	-40.50
CN(C(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004576945	1	26	-1.0	-44.07	243.70	3.65	-40.42
CC1=NN(C2CCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004576946	0	33	-1.0	-45.08	270.24	5.54	-39.54
CC1=NN(C2CCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004576946	1	33	-1.0	-44.97	270.48	5.52	-39.45
CN(C(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL250004576947	0	29	-1.0	-44.52	260.77	4.72	-39.80
CN(C(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL250004576947	1	29	-1.0	-44.44	260.90	4.69	-39.75
CN(C(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL250004576948	0	36	-1.0	-49.59	273.56	5.67	-43.92
CN(C(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL250004576948	1	36	-1.0	-49.69	273.43	5.69	-44.00
CN(C(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004576949	0	27	-1.0	-49.47	261.15	7.03	-42.44
CN(C(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004576949	1	27	-1.0	-49.57	261.01	7.03	-42.54
CC(=O)NC(COC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004576950	0	36	-1.0	-53.54	294.09	3.10	-50.44
CC(=O)NC(COC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004576950	1	36	-1.0	-53.66	293.96	3.13	-50.53
CN(C(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004576951	0	34	-1.0	-47.25	281.62	4.13	-43.12
CN(C(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004576951	1	34	-1.0	-47.34	281.48	4.16	-43.18
COC1=CC2=CC=C(CC(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004576952	0	36	-1.0	-50.83	305.32	7.52	-43.31
COC1=CC2=CC=C(CC(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004576952	1	36	-1.0	-50.89	305.19	7.55	-43.34
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576953	0	41	-1.0	-33.59	308.19	8.58	-25.01
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576953	1	41	-1.0	-33.66	308.04	8.57	-25.09
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576954	0	29	-1.0	-46.33	269.81	2.86	-43.47
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576954	1	29	-1.0	-46.30	269.95	2.85	-43.45
CN(C(=O)C12CCC(C)(CC1)CO2)C1=N[N-]N=N1	REAL250004576955	0	34	-1.0	-46.76	257.31	4.89	-41.87
CN(C(=O)C12CCC(C)(CC1)CO2)C1=NN=N[N-]1	REAL250004576955	1	34	-1.0	-46.83	257.17	4.93	-41.90
CN(C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004576956	0	29	-1.0	-50.88	267.27	5.92	-44.96
CN(C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004576956	1	29	-1.0	-50.98	267.14	5.95	-45.03
CN(C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004576957	0	30	-1.0	-49.39	263.68	7.15	-42.24
CN(C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004576957	1	30	-1.0	-49.42	263.54	7.14	-42.28
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004576958	0	32	-1.0	-47.13	285.38	7.44	-39.69
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004576958	1	32	-1.0	-47.15	285.25	7.48	-39.67
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004576959	0	32	-1.0	-49.87	289.53	5.32	-44.55
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004576959	1	32	-1.0	-49.98	289.38	5.34	-44.64
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004576960	0	32	-1.0	-46.00	277.40	7.32	-38.68
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004576960	1	32	-1.0	-46.06	277.27	7.33	-38.73
CN(C(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004576961	0	35	-1.0	-51.73	292.49	5.81	-45.92
CN(C(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004576961	1	35	-1.0	-51.68	292.63	5.77	-45.91
CC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004576962	0	33	-1.0	-53.96	280.85	7.52	-46.44
CC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004576962	1	33	-1.0	-54.04	280.72	7.55	-46.49
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC	REAL250004576963	0	34	-1.0	-47.02	284.62	4.78	-42.24
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC	REAL250004576963	1	34	-1.0	-47.07	284.48	4.81	-42.26
CN(C(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL250004576964	0	37	-1.0	-51.99	287.56	4.31	-47.68
CN(C(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL250004576964	1	37	-1.0	-52.08	287.42	4.33	-47.75
CN(C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL250004576965	0	33	-1.0	-54.83	279.83	5.94	-48.89
CN(C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL250004576965	1	33	-1.0	-54.77	279.96	5.94	-48.83
CN(C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL250004576966	0	34	-1.0	-51.12	289.70	5.15	-45.97
CN(C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL250004576966	1	34	-1.0	-51.17	289.56	5.19	-45.98
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004576967	0	29	-1.0	-43.86	266.74	6.45	-37.41
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004576967	1	29	-1.0	-42.82	266.90	6.48	-36.34
CN(C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004576968	0	33	-1.0	-38.64	267.31	6.22	-32.42
CN(C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004576968	1	33	-1.0	-38.70	267.14	6.22	-32.48
C=C1CCC1(C(=O)OC)C(=O)N(C)C1=N[N-]N=N1	REAL250004576969	0	30	-1.0	-44.43	257.22	4.96	-39.47
C=C1CCC1(C(=O)OC)C(=O)N(C)C1=NN=N[N-]1	REAL250004576969	1	30	-1.0	-44.47	257.08	4.99	-39.48
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576970	0	32	-1.0	-52.22	285.33	6.70	-45.52
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576970	1	32	-1.0	-52.14	285.47	6.70	-45.44
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004576971	0	30	-1.0	-52.70	278.34	6.63	-46.07
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004576971	1	30	-1.0	-52.62	278.48	6.62	-46.00
CN(C(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004576972	0	32	-1.0	-31.40	249.56	6.09	-25.31
CN(C(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004576972	1	32	-1.0	-31.49	249.44	6.12	-25.37
CN(C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL250004576973	0	31	-1.0	-60.38	274.66	6.63	-53.75
CN(C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL250004576973	1	31	-1.0	-60.47	274.53	6.64	-53.83
CN(C(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL250004576974	0	25	-1.0	-50.00	230.14	4.96	-45.04
CN(C(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL250004576974	1	25	-1.0	-49.94	230.28	4.93	-45.01
CN(C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL250004576975	0	28	-1.0	-43.50	259.48	6.13	-37.37
CN(C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL250004576975	1	28	-1.0	-43.55	259.35	6.15	-37.40
C#CC1=CC=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576976	0	32	-1.0	-49.29	284.94	8.47	-40.82
C#CC1=CC=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576976	1	32	-1.0	-49.37	284.80	8.51	-40.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL250004576977	0	31	-1.0	-51.61	269.21	6.07	-45.54
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL250004576977	1	31	-1.0	-51.53	269.35	6.05	-45.48
CN(C(=O)C1(C2CCC2)CC1(F)F)C1=N[N-]N=N1	REAL250004576978	0	30	-1.0	-50.97	250.85	5.98	-44.99
CN(C(=O)C1(C2CCC2)CC1(F)F)C1=NN=N[N-]1	REAL250004576978	1	30	-1.0	-51.11	250.72	6.01	-45.10
CN(C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004576979	0	35	-1.0	-46.37	294.92	6.01	-40.36
CN(C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004576979	1	35	-1.0	-46.29	295.04	6.01	-40.28
CN(C(=O)C(F)(F)C1(O)CCCC1)C1=N[N-]N=N1	REAL250004576980	0	30	-1.0	-37.80	246.86	2.50	-35.30
CN(C(=O)C(F)(F)C1(O)CCCC1)C1=NN=N[N-]1	REAL250004576980	1	30	-1.0	-37.86	246.73	2.53	-35.33
CN(C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=N[N-]N=N1	REAL250004576981	0	33	-1.0	-45.23	268.13	6.27	-38.96
CN(C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=NN=N[N-]1	REAL250004576981	1	33	-1.0	-45.34	267.99	6.28	-39.06
CN(C(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL250004576982	0	28	-1.0	-60.91	242.55	1.49	-59.42
CN(C(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL250004576982	1	28	-1.0	-60.80	242.69	1.48	-59.32
CN(C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL250004576983	0	30	-1.0	-48.32	264.74	3.61	-44.71
CN(C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL250004576983	1	30	-1.0	-48.42	264.60	3.60	-44.82
CC1=NN=C(CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)O1	REAL250004576984	0	34	-1.0	-53.95	297.13	2.30	-51.65
CC1=NN=C(CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)O1	REAL250004576984	1	34	-1.0	-54.05	296.99	2.29	-51.76
CC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL250004576985	0	31	-1.0	-48.99	271.81	6.07	-42.92
CC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL250004576985	1	31	-1.0	-48.92	271.94	6.05	-42.87
CN(C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL250004576986	0	29	-1.0	-49.68	266.04	2.45	-47.23
CN(C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL250004576986	1	29	-1.0	-49.56	266.10	2.41	-47.15
CCCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004576987	0	39	-1.0	-48.71	324.21	7.78	-40.93
CCCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004576987	1	39	-1.0	-48.80	324.08	7.81	-40.99
COC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004576988	0	32	-1.0	-48.28	276.38	3.81	-44.47
COC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004576988	1	32	-1.0	-46.86	276.48	3.82	-43.04
CC1=CN2C(C(=O)N(C)C3=NN=N[N-]3)=CN=C2S1	REAL250004576989	0	26	-1.0	-48.68	239.87	5.28	-43.40
CC1=CN2C(C(=O)N(C)C3=N[N-]N=N3)=CN=C2S1	REAL250004576989	1	26	-1.0	-48.61	240.02	5.27	-43.34
CN(C(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL250004576990	0	20	-1.0	-41.30	225.49	4.94	-36.36
CN(C(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL250004576990	1	20	-1.0	-41.43	225.34	4.94	-36.49
CN(C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL250004576991	0	34	-1.0	-49.13	276.08	6.56	-42.57
CN(C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL250004576991	1	34	-1.0	-49.05	276.22	6.54	-42.51
COC1CC2(C1)CCC(C(=O)N(C)C1=N[N-]N=N1)CC2	REAL250004576992	0	40	-1.0	-48.66	303.40	5.87	-42.79
COC1CC2(C1)CCC(C(=O)N(C)C1=NN=N[N-]1)CC2	REAL250004576992	1	40	-1.0	-48.70	303.27	5.89	-42.81
CCCC(CCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576993	0	41	-1.0	-33.44	321.16	9.28	-24.16
CCCC(CCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576993	1	41	-1.0	-33.46	321.01	9.30	-24.16
CCC(C)(C)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004576994	0	44	-1.0	-32.03	301.46	7.97	-24.06
CCC(C)(C)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004576994	1	44	-1.0	-32.10	301.30	7.99	-24.11
CC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004576995	0	31	-1.0	-46.31	264.79	5.85	-40.46
CC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004576995	1	31	-1.0	-46.23	264.94	5.85	-40.38
CN(C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL250004576996	0	28	-1.0	-51.37	259.82	3.20	-48.17
CN(C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL250004576996	1	28	-1.0	-51.31	259.96	3.19	-48.12
CN(C(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL250004576997	0	35	-1.0	-35.51	272.97	6.19	-29.32
CN(C(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL250004576997	1	35	-1.0	-35.54	272.88	6.21	-29.33
CN(C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004576998	0	30	-1.0	-49.74	258.99	4.68	-45.06
CN(C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004576998	1	30	-1.0	-49.66	259.13	4.69	-44.97
CCC(CCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004576999	0	38	-1.0	-48.97	307.87	8.53	-40.44
CCC(CCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004576999	1	38	-1.0	-49.08	307.73	8.55	-40.53
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004577000	0	33	-1.0	-42.25	262.37	5.50	-36.75
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004577000	1	33	-1.0	-42.37	262.23	5.53	-36.84
CCOC(=O)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004577001	0	35	-1.0	-36.38	295.77	7.74	-28.64
CCOC(=O)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004577001	1	35	-1.0	-36.36	295.99	7.73	-28.63
CN(C(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004577002	0	37	-1.0	-47.40	304.97	6.86	-40.54
CN(C(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004577002	1	37	-1.0	-47.44	304.84	6.89	-40.55
CN(C(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL250004577003	0	33	-1.0	-49.12	271.12	6.87	-42.25
CN(C(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL250004577003	1	33	-1.0	-49.21	270.99	6.89	-42.32
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1Br	REAL250004577004	0	25	-1.0	-46.62	238.97	5.28	-41.34
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1Br	REAL250004577004	1	25	-1.0	-46.51	239.11	5.26	-41.25
CN(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004577005	0	33	-1.0	-44.42	282.86	6.19	-38.23
CN(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004577005	1	33	-1.0	-44.37	283.00	6.19	-38.18
CN(C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004577006	0	27	-1.0	-44.33	254.72	4.80	-39.53
CN(C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004577006	1	27	-1.0	-44.27	254.85	4.78	-39.49
CC1=NC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCN21	REAL250004577007	0	33	-1.0	-47.87	265.42	5.70	-42.17
CC1=NC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCN21	REAL250004577007	1	33	-1.0	-47.95	265.29	5.72	-42.23
COC(=O)C1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577008	0	26	-1.0	-51.10	248.18	4.47	-46.63
COC(=O)C1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577008	1	26	-1.0	-51.12	248.03	4.50	-46.62
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004577009	0	34	-1.0	-45.13	274.30	5.36	-39.77
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004577009	1	34	-1.0	-45.08	274.44	5.36	-39.72
CN(C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=NN=N[N-]1	REAL250004577010	0	30	-1.0	-48.91	278.03	5.10	-43.81
CN(C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=N[N-]N=N1	REAL250004577010	1	30	-1.0	-48.83	278.13	5.08	-43.75
COC1CC(CC(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004577011	0	36	-1.0	-46.75	287.05	5.12	-41.63
COC1CC(CC(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004577011	1	36	-1.0	-46.88	286.91	5.14	-41.74
CN(C(=O)C12CCCN1C(=O)CCCC2)C1=N[N-]N=N1	REAL250004577012	0	37	-1.0	-55.93	275.91	4.84	-51.09
CN(C(=O)C12CCCN1C(=O)CCCC2)C1=NN=N[N-]1	REAL250004577012	1	37	-1.0	-55.96	275.78	4.88	-51.08
CN(C(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004577013	0	30	-1.0	-50.22	256.91	6.28	-43.94
CN(C(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004577013	1	30	-1.0	-50.34	256.83	6.30	-44.04
CN(C(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004577014	0	30	-1.0	-43.98	247.75	6.09	-37.89
CN(C(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004577014	1	30	-1.0	-44.04	247.58	6.10	-37.94
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N(C)C1=N[N-]N=N1	REAL250004577015	0	34	-1.0	-52.49	280.60	6.55	-45.94
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N(C)C1=NN=N[N-]1	REAL250004577015	1	34	-1.0	-52.59	280.47	6.57	-46.02
CN(C)C1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004577016	0	37	-1.0	-49.61	300.16	7.56	-42.05
CN(C)C1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004577016	1	37	-1.0	-49.52	300.31	7.56	-41.96
CN(C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=N[N-]N=N1	REAL250004577017	0	41	-1.0	-46.82	277.64	7.00	-39.82
CN(C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=NN=N[N-]1	REAL250004577017	1	41	-1.0	-46.93	277.53	6.99	-39.94
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004577018	0	29	-1.0	-52.39	266.56	4.25	-48.14
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004577018	1	29	-1.0	-52.49	266.41	4.27	-48.22
CCC1=CC=C(C(=O)C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004577019	0	28	-1.0	-41.70	258.15	5.84	-35.86
CCC1=CC=C(C(=O)C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004577019	1	28	-1.0	-41.77	258.02	5.86	-35.91
CN(C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL250004577020	0	31	-1.0	-49.24	260.35	4.07	-45.17
CN(C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL250004577020	1	31	-1.0	-49.14	260.49	4.06	-45.08
CN(C(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL250004577021	0	30	-1.0	-42.94	255.56	1.52	-41.42
CN(C(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL250004577021	1	30	-1.0	-42.88	255.70	1.51	-41.37
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC=C1C(F)F	REAL250004577022	0	28	-1.0	-47.03	247.78	5.57	-41.46
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC=C1C(F)F	REAL250004577022	1	28	-1.0	-47.05	247.64	5.58	-41.47
CN(C(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL250004577023	0	31	-1.0	-54.08	269.66	3.09	-50.99
CN(C(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL250004577023	1	31	-1.0	-54.17	269.51	3.12	-51.05
CN(C)C(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577024	0	32	-1.0	-50.31	267.67	2.72	-47.59
CN(C)C(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577024	1	32	-1.0	-50.29	267.81	2.72	-47.57
CN(C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL250004577025	0	27	-1.0	-49.51	256.69	5.10	-44.41
CN(C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL250004577025	1	27	-1.0	-49.42	256.83	5.09	-44.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCOCC1	REAL250004577026	0	37	-1.0	-47.76	298.14	4.19	-43.57
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCOCC1	REAL250004577026	1	37	-1.0	-47.82	297.99	4.20	-43.62
COC1=CC=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004577027	0	34	-1.0	-55.49	279.76	5.91	-49.58
COC1=CC=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004577027	1	34	-1.0	-55.55	279.62	5.92	-49.63
CC1=C(Cl)C=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004577028	0	26	-1.0	-50.46	247.32	4.28	-46.18
CC1=C(Cl)C=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004577028	1	26	-1.0	-50.55	247.19	4.30	-46.25
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004577029	0	37	-1.0	-56.44	304.15	3.91	-52.53
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004577029	1	37	-1.0	-56.57	304.02	3.93	-52.64
CN(C(=O)C(F)(F)C1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004577030	0	27	-1.0	-49.21	253.64	5.95	-43.26
CN(C(=O)C(F)(F)C1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004577030	1	27	-1.0	-49.26	253.50	5.99	-43.27
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004577031	0	32	-1.0	-46.48	291.53	6.82	-39.66
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL250004577031	1	32	-1.0	-46.41	291.68	6.83	-39.58
CN(C(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL250004577032	0	35	-1.0	-50.31	280.19	4.44	-45.87
CN(C(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL250004577032	1	35	-1.0	-50.37	280.06	4.46	-45.91
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004577033	0	28	-1.0	-65.08	248.11	3.52	-61.56
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004577033	1	28	-1.0	-64.99	248.24	3.51	-61.48
CN(C(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004577034	0	30	-1.0	-48.54	251.42	2.45	-46.09
CN(C(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004577034	1	30	-1.0	-48.47	251.64	2.45	-46.02
CN(C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL250004577035	0	28	-1.0	-41.40	256.17	4.46	-36.94
CN(C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL250004577035	1	28	-1.0	-41.35	256.31	4.45	-36.90
CN(C(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004577036	0	32	-1.0	-40.65	280.42	7.53	-33.12
CN(C(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004577036	1	32	-1.0	-40.66	280.28	7.57	-33.09
CC1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)S2)S1	REAL250004577037	0	26	-1.0	-45.91	251.10	6.12	-39.79
CC1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)S2)S1	REAL250004577037	1	26	-1.0	-45.83	251.25	6.11	-39.72
CN(C(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004577038	0	31	-1.0	-48.50	258.88	7.34	-41.16
CN(C(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004577038	1	31	-1.0	-48.41	259.02	7.30	-41.11
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004577039	0	28	-1.0	-49.31	242.72	5.28	-44.03
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004577039	1	28	-1.0	-49.21	242.85	5.27	-43.94
CN(C(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL250004577040	0	25	-1.0	-49.20	231.37	4.41	-44.79
CN(C(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL250004577040	1	25	-1.0	-49.12	231.50	4.40	-44.72
CC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577041	0	31	-1.0	-54.62	262.26	5.51	-49.11
CC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577041	1	31	-1.0	-54.58	262.40	5.49	-49.09
COC1CC2(C1)CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004577042	0	34	-1.0	-47.50	278.46	5.07	-42.43
COC1CC2(C1)CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004577042	1	34	-1.0	-47.55	278.32	5.10	-42.45
CC(C)OCC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004577043	0	39	-1.0	-49.44	321.28	7.45	-41.99
CC(C)OCC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004577043	1	39	-1.0	-49.58	321.14	7.48	-42.10
CN(C(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL250004577044	0	33	-1.0	-63.02	262.17	2.82	-60.20
CN(C(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL250004577044	1	33	-1.0	-63.14	262.03	2.84	-60.30
CN(C(=O)C12COC(C)(C1)CCC2)C1=N[N-]N=N1	REAL250004577045	0	34	-1.0	-32.28	248.85	4.42	-27.86
CN(C(=O)C12COC(C)(C1)CCC2)C1=NN=N[N-]1	REAL250004577045	1	34	-1.0	-32.30	248.72	4.44	-27.86
CN(C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004577046	0	39	-1.0	-48.27	299.32	8.56	-39.71
CN(C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004577046	1	39	-1.0	-48.30	299.19	8.58	-39.72
CN(C(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004577047	0	29	-1.0	-62.90	249.41	6.32	-56.58
CN(C(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004577047	1	29	-1.0	-62.79	249.56	6.32	-56.47
CN(C(=O)C12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL250004577048	0	30	-1.0	-47.93	240.31	5.69	-42.24
CN(C(=O)C12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL250004577048	1	30	-1.0	-48.01	240.17	5.72	-42.29
CN(C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=NN=N[N-]1	REAL250004577049	0	33	-1.0	-42.63	292.84	6.25	-36.38
CN(C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=N[N-]N=N1	REAL250004577049	1	33	-1.0	-42.54	292.98	6.23	-36.31
CN(C(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NN=N[N-]1	REAL250004577051	0	32	-1.0	-57.06	281.27	4.47	-52.59
CN(C(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=N[N-]N=N1	REAL250004577051	1	32	-1.0	-56.96	281.42	4.47	-52.49
CN(C(=O)C1CCCC2=C1N=CN2C)C1=N[N-]N=N1	REAL250004577052	0	33	-1.0	-58.78	270.16	6.63	-52.15
CN(C(=O)C1CCCC2=C1N=CN2C)C1=NN=N[N-]1	REAL250004577052	1	33	-1.0	-58.83	270.03	6.65	-52.18
CN=S(C)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577053	0	33	-1.0	-56.82	289.38	2.31	-54.51
CN=S(C)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577053	1	33	-1.0	-56.75	289.52	2.31	-54.44
CCCSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577054	0	33	-1.0	-50.43	285.26	7.56	-42.87
CCCSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577054	1	33	-1.0	-50.32	285.40	7.56	-42.76
COC1=CC=C2C(=C1)CCCC2C(=O)N(C)C1=N[N-]N=N1	REAL250004577055	0	37	-1.0	-49.95	296.17	6.71	-43.24
COC1=CC=C2C(=C1)CCCC2C(=O)N(C)C1=NN=N[N-]1	REAL250004577055	1	37	-1.0	-50.00	296.04	6.72	-43.28
COC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004577056	0	26	-1.0	-46.77	241.59	3.60	-43.17
COC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004577056	1	26	-1.0	-46.71	241.73	3.59	-43.12
CCCCSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577057	0	36	-1.0	-50.40	306.76	8.34	-42.06
CCCCSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577057	1	36	-1.0	-50.29	306.90	8.34	-41.95
CC1=NC=NC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)CC2	REAL250004577058	0	34	-1.0	-32.57	271.65	6.06	-26.51
CC1=NC=NC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)CC2	REAL250004577058	1	34	-1.0	-32.64	271.40	6.08	-26.56
CC(C)N(C)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004577059	0	35	-1.0	-45.84	285.24	4.77	-41.07
CC(C)N(C)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004577059	1	35	-1.0	-45.93	285.10	4.80	-41.13
CC1C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)C1C	REAL250004577060	0	32	-1.0	-53.92	271.12	4.00	-49.92
CC1C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)C1C	REAL250004577060	1	32	-1.0	-53.96	270.98	4.02	-49.94
CN(C(=O)C1CCC(OC(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004577061	0	33	-1.0	-30.67	274.77	5.08	-25.59
CN(C(=O)C1CCC(OC(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004577061	1	33	-1.0	-30.75	274.64	5.10	-25.65
CN(C(=O)CC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004577062	0	23	-1.0	-46.85	236.89	5.52	-41.33
CN(C(=O)CC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004577062	1	23	-1.0	-46.89	236.75	5.55	-41.34
CC(C)OC1=CC=C(F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577063	0	33	-1.0	-50.70	278.66	6.66	-44.04
CC(C)OC1=CC=C(F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577063	1	33	-1.0	-50.67	278.80	6.65	-44.02
COC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=N1	REAL250004577064	0	28	-1.0	-46.66	249.83	0.40	-46.26
COC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=N1	REAL250004577064	1	28	-1.0	-46.73	249.68	0.39	-46.34
CC(CC(=O)N(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004577065	0	28	-1.0	-49.83	242.55	5.34	-44.49
CC(CC(=O)N(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004577065	1	28	-1.0	-49.95	242.42	5.36	-44.59
CN(C(=O)CC1CCC2(CCCC2)CC1)C1=N[N-]N=N1	REAL250004577066	0	42	-1.0	-47.60	307.64	8.37	-39.23
CN(C(=O)CC1CCC2(CCCC2)CC1)C1=NN=N[N-]1	REAL250004577066	1	42	-1.0	-47.66	307.50	8.40	-39.26
CC1COC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004577067	0	31	-1.0	-55.87	258.54	5.59	-50.28
CC1COC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004577067	1	31	-1.0	-55.80	258.68	5.58	-50.22
CN(C(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL250004577068	0	29	-1.0	-48.04	267.43	5.87	-42.17
CN(C(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL250004577068	1	29	-1.0	-47.98	267.58	5.86	-42.12
CN(C(=O)C1=CN=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004577069	0	30	-1.0	-45.41	251.72	3.13	-42.28
CN(C(=O)C1=CN=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004577069	1	30	-1.0	-45.35	251.86	3.11	-42.24
CN(C(=O)CC1COCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004577070	0	34	-1.0	-48.44	275.18	5.83	-42.61
CN(C(=O)CC1COCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004577070	1	34	-1.0	-48.57	275.04	5.87	-42.70
CN(C(=O)CC1CCCCCC1(F)F)C1=N[N-]N=N1	REAL250004577071	0	35	-1.0	-43.85	267.70	6.66	-37.19
CN(C(=O)CC1CCCCCC1(F)F)C1=NN=N[N-]1	REAL250004577071	1	35	-1.0	-43.93	267.56	6.67	-37.26
CC1CC(C(=O)N(C)C2=N[N-]N=N2)CCS1(=O)=O	REAL250004577072	0	32	-1.0	-53.75	258.15	1.77	-51.98
CC1CC(C(=O)N(C)C2=NN=N[N-]2)CCS1(=O)=O	REAL250004577072	1	32	-1.0	-53.88	258.02	1.79	-52.09
CN(C(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004577073	0	37	-1.0	-47.09	292.47	8.82	-38.27
CN(C(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004577073	1	37	-1.0	-47.20	292.33	8.84	-38.36
CC(C1CC1)N1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004577074	0	37	-1.0	-46.40	294.14	5.66	-40.74
CC(C1CC1)N1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004577074	1	37	-1.0	-46.47	294.00	5.69	-40.78
CCC1=CN2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004577075	0	36	-1.0	-45.71	288.20	6.48	-39.23
CCC1=CN2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004577075	1	36	-1.0	-45.81	288.07	6.50	-39.31
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004577076	0	36	-1.0	-49.35	305.78	9.38	-39.97
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004577076	1	36	-1.0	-49.26	305.92	9.39	-39.87
CN(C(=O)CC12CC(C1)C(=O)NC2)C1=N[N-]N=N1	REAL250004577077	0	31	-1.0	-52.39	252.65	2.47	-49.92
CN(C(=O)CC12CC(C1)C(=O)NC2)C1=NN=N[N-]1	REAL250004577077	1	31	-1.0	-52.51	252.51	2.49	-50.02
CN(C(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=N[N-]N=N1	REAL250004577078	0	28	-1.0	-46.55	252.04	5.81	-40.74
CN(C(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NN=N[N-]1	REAL250004577078	1	28	-1.0	-46.66	251.90	5.83	-40.83
CN(C(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL250004577079	0	37	-1.0	-52.46	307.15	7.18	-45.28
CN(C(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL250004577079	1	37	-1.0	-52.50	307.01	7.22	-45.28
CN(C(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL250004577080	0	31	-1.0	-58.62	269.57	5.60	-53.02
CN(C(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL250004577080	1	31	-1.0	-58.55	269.71	5.61	-52.94
CN(C(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004577081	0	23	-1.0	-40.45	241.87	5.98	-34.47
CN(C(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004577081	1	23	-1.0	-40.49	241.73	5.98	-34.51
CN(C(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NN=N[N-]1	REAL250004577082	0	30	-1.0	-47.41	262.03	2.23	-45.18
CN(C(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=N[N-]N=N1	REAL250004577082	1	30	-1.0	-47.37	262.17	2.21	-45.16
CC1CCC(OCCCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577083	0	42	-1.0	-49.97	327.55	7.20	-42.77
CC1CCC(OCCCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577083	1	42	-1.0	-50.00	327.41	7.23	-42.77
CN(C(=O)CC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004577084	0	34	-1.0	-58.39	283.30	6.22	-52.17
CN(C(=O)CC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004577084	1	34	-1.0	-58.49	283.17	6.24	-52.25
CN(C(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=N[N-]N=N1	REAL250004577085	0	40	-1.0	-32.36	301.49	3.72	-28.64
CN(C(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NN=N[N-]1	REAL250004577085	1	40	-1.0	-32.42	301.34	3.73	-28.69
CN(C(=O)C1=CC=C2SN=CC2=C1)C1=NN=N[N-]1	REAL250004577086	0	25	-1.0	-45.69	233.79	5.08	-40.61
CN(C(=O)C1=CC=C2SN=CC2=C1)C1=N[N-]N=N1	REAL250004577086	1	25	-1.0	-45.64	233.93	5.08	-40.56
CN(C(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=NN=N[N-]1	REAL250004577087	0	31	-1.0	-51.64	269.25	5.60	-46.04
CN(C(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=N[N-]N=N1	REAL250004577087	1	31	-1.0	-51.59	269.39	5.61	-45.98
CN(C(=O)CC1CCCCC1(F)F)C1=N[N-]N=N1	REAL250004577088	0	32	-1.0	-44.01	259.40	6.29	-37.72
CN(C(=O)CC1CCCCC1(F)F)C1=NN=N[N-]1	REAL250004577088	1	32	-1.0	-44.09	259.26	6.32	-37.77
CN(C(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NN=N[N-]1	REAL250004577089	0	33	-1.0	-48.90	277.80	5.89	-43.01
CN(C(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=N[N-]N=N1	REAL250004577089	1	33	-1.0	-48.94	277.95	5.89	-43.05
CN(C(=O)C12CCC(C1)S(=O)(=O)CC2)C1=N[N-]N=N1	REAL250004577090	0	33	-1.0	-53.38	256.91	1.91	-51.47
CN(C(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NN=N[N-]1	REAL250004577090	1	33	-1.0	-53.46	256.77	1.93	-51.53
CN(C(=O)C1CCCC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004577091	0	32	-1.0	-48.50	261.60	5.62	-42.88
CN(C(=O)C1CCCC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004577091	1	32	-1.0	-48.56	261.47	5.65	-42.91
CN(C(=O)CSC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004577092	0	27	-1.0	-49.89	253.44	4.33	-45.56
CN(C(=O)CSC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004577092	1	27	-1.0	-49.82	253.58	4.30	-45.52
CN(C(=O)CCC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004577093	0	29	-1.0	-48.60	270.62	7.23	-41.37
CN(C(=O)CCC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004577093	1	29	-1.0	-48.65	270.49	7.25	-41.40
CN(C(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004577094	0	30	-1.0	-57.51	271.57	7.14	-50.37
CN(C(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004577094	1	30	-1.0	-57.40	271.72	7.13	-50.27
CN(C(=O)CC1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004577095	0	34	-1.0	-51.48	273.34	5.70	-45.78
CN(C(=O)CC1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004577095	1	34	-1.0	-51.57	273.20	5.73	-45.84
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)C=CC2=N1	REAL250004577096	0	29	-1.0	-45.87	249.87	6.05	-39.82
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)C=CC2=N1	REAL250004577096	1	29	-1.0	-45.82	250.02	6.06	-39.76
CCC1=CC=CC(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004577097	0	38	-1.0	-47.36	298.30	8.24	-39.12
CCC1=CC=CC(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004577097	1	38	-1.0	-47.41	298.16	8.26	-39.15
CN(C(=O)C1CCCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004577098	0	38	-1.0	-46.08	266.05	6.45	-39.63
CN(C(=O)C1CCCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004577098	1	38	-1.0	-46.13	265.92	6.46	-39.67
CN(C(=O)CC1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL250004577099	0	37	-1.0	-50.07	312.90	7.78	-42.29
CN(C(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL250004577099	1	37	-1.0	-50.16	312.76	7.81	-42.35
CC(C)[C@H]1CC[C@@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577100	0	38	-1.0	-49.48	275.48	6.81	-42.67
CC(C)[C@H]1CC[C@@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577100	1	38	-1.0	-49.57	275.35	6.83	-42.74
CC(C)N1C=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004577101	0	36	-1.0	-55.49	294.64	6.33	-49.16
CC(C)N1C=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004577101	1	36	-1.0	-55.41	294.78	6.30	-49.11
CN(C(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004577102	0	27	-1.0	-52.74	243.95	1.76	-50.98
CN(C(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004577102	1	27	-1.0	-52.68	244.09	1.77	-50.91
CN(C(=O)C1=NN(C)N=C1Br)C1=NN=N[N-]1	REAL250004577103	0	22	-1.0	-44.64	222.15	2.22	-42.42
CN(C(=O)C1=NN(C)N=C1Br)C1=N[N-]N=N1	REAL250004577103	1	22	-1.0	-44.56	222.29	2.21	-42.35
CN(C(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004577104	0	31	-1.0	-50.89	274.61	7.78	-43.11
CN(C(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004577104	1	31	-1.0	-45.75	275.22	7.77	-37.98
CN(C(=O)C1CCOC2(CCCCC2)C1)C1=N[N-]N=N1	REAL250004577105	0	40	-1.0	-31.44	290.64	6.25	-25.19
CN(C(=O)C1CCOC2(CCCCC2)C1)C1=NN=N[N-]1	REAL250004577105	1	40	-1.0	-31.48	290.60	6.27	-25.21
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004577106	0	35	-1.0	-49.29	282.63	8.35	-40.94
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004577106	1	35	-1.0	-49.21	282.77	8.33	-40.88
CN(C(=O)C1=CC2CCC=CCCC12)C1=N[N-]N=N1	REAL250004577107	0	35	-1.0	-49.56	273.54	7.46	-42.10
CN(C(=O)C1=CC2CCC=CCCC12)C1=NN=N[N-]1	REAL250004577107	1	35	-1.0	-49.62	273.38	7.50	-42.12
CN(C(=O)C1=CC2CCCCCCC12)C1=N[N-]N=N1	REAL250004577108	0	37	-1.0	-47.51	281.68	7.54	-39.97
CN(C(=O)C1=CC2CCCCCCC12)C1=NN=N[N-]1	REAL250004577108	1	37	-1.0	-47.58	281.54	7.57	-40.01
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(F)=C1F	REAL250004577109	0	27	-1.0	-41.78	245.14	4.36	-37.42
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(F)=C1F	REAL250004577109	1	27	-1.0	-41.83	245.00	4.35	-37.48
COC1=CC2=CC=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577110	0	32	-1.0	-57.60	274.29	4.84	-52.76
COC1=CC2=CC=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577110	1	32	-1.0	-57.51	274.44	4.82	-52.69
CN(C(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NN=N[N-]1	REAL250004577111	0	34	-1.0	-48.64	293.36	6.19	-42.45
CN(C(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=N[N-]N=N1	REAL250004577111	1	34	-1.0	-48.56	293.50	6.18	-42.38
CN(C(=O)C1CCC2(CCOCC2)O1)C1=N[N-]N=N1	REAL250004577112	0	35	-1.0	-51.93	274.36	4.23	-47.70
CN(C(=O)C1CCC2(CCOCC2)O1)C1=NN=N[N-]1	REAL250004577112	1	35	-1.0	-51.97	274.23	4.25	-47.72
CC1=CC=CC=C1C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004577113	0	32	-1.0	-44.15	281.06	7.27	-36.88
CC1=CC=CC=C1C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004577113	1	32	-1.0	-44.12	281.20	7.25	-36.87
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004577114	0	29	-1.0	-34.73	253.88	6.96	-27.77
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004577114	1	29	-1.0	-34.80	253.73	6.97	-27.83
CN(C(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004577115	0	35	-1.0	-50.51	298.37	7.55	-42.96
CN(C(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004577115	1	35	-1.0	-50.38	298.51	7.55	-42.83
CN(C(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004577116	0	26	-1.0	-47.00	251.96	5.96	-41.04
CN(C(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004577116	1	26	-1.0	-46.94	252.10	5.95	-40.99
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004577117	0	33	-1.0	-51.77	275.38	5.62	-46.15
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004577117	1	33	-1.0	-51.86	275.25	5.65	-46.21
CCCN1C=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004577118	0	29	-1.0	-50.52	265.78	5.53	-44.99
CCCN1C=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004577118	1	29	-1.0	-50.44	265.92	5.51	-44.93
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004577119	0	28	-1.0	-49.22	252.76	4.76	-44.46
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004577119	1	28	-1.0	-49.15	252.91	4.75	-44.40
COC(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004577120	0	32	-1.0	-48.95	265.33	5.40	-43.55
COC(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004577120	1	32	-1.0	-48.98	265.20	5.42	-43.56
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004577121	0	35	-1.0	-46.12	306.78	7.63	-38.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004577121	1	35	-1.0	-46.06	306.92	7.62	-38.44
CN(C(=O)C1(C2=NC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004577122	0	29	-1.0	-51.24	257.25	5.54	-45.70
CN(C(=O)C1(C2=NC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004577122	1	29	-1.0	-51.22	257.39	5.52	-45.70
CN(C(=O)C1=CC(C(N)=O)=CC=C1F)C1=NN=N[N-]1	REAL250004577123	0	27	-1.0	-56.65	240.55	1.75	-54.90
CN(C(=O)C1=CC(C(N)=O)=CC=C1F)C1=N[N-]N=N1	REAL250004577123	1	27	-1.0	-56.62	240.70	1.76	-54.86
CN(C(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=N[N-]N=N1	REAL250004577124	0	33	-1.0	-47.14	277.38	7.66	-39.48
CN(C(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=NN=N[N-]1	REAL250004577124	1	33	-1.0	-47.19	277.25	7.69	-39.50
CC1=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004577125	0	26	-1.0	-40.71	249.69	5.71	-35.00
CC1=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004577125	1	26	-1.0	-40.76	249.56	5.74	-35.02
CC1=NN(CC(F)(F)F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577126	0	29	-1.0	-44.72	262.65	4.59	-40.13
CC1=NN(CC(F)(F)F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577126	1	29	-1.0	-44.83	262.53	4.62	-40.21
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004577127	0	25	-1.0	-39.45	248.66	4.67	-34.78
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004577127	1	25	-1.0	-39.38	248.81	4.65	-34.73
CN(C(=O)C(F)(F)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004577128	0	26	-1.0	-44.37	241.13	3.79	-40.58
CN(C(=O)C(F)(F)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004577128	1	26	-1.0	-44.32	241.26	3.77	-40.55
CN(C(=O)C1(C)CCCCNC1=O)C1=N[N-]N=N1	REAL250004577129	0	33	-1.0	-40.17	240.98	2.91	-37.26
CN(C(=O)C1(C)CCCCNC1=O)C1=NN=N[N-]1	REAL250004577129	1	33	-1.0	-40.25	240.83	2.92	-37.33
CCNC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577130	0	38	-1.0	-54.44	297.05	3.81	-50.63
CCNC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577130	1	38	-1.0	-54.53	296.91	3.84	-50.69
COC1=CC([C@@H](C)CC(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004577131	0	39	-1.0	-47.13	314.27	7.24	-39.89
COC1=CC([C@@H](C)CC(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004577131	1	39	-1.0	-47.20	314.13	7.26	-39.94
C#CC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577132	0	29	-1.0	-53.73	266.04	7.05	-46.68
C#CC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577132	1	29	-1.0	-53.83	265.91	7.07	-46.76
CN(C(=O)C=CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004577133	0	35	-1.0	-49.17	292.65	6.54	-42.63
CN(C(=O)C=CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004577133	1	35	-1.0	-49.27	292.50	6.56	-42.71
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004577134	0	39	-1.0	-47.93	322.12	7.37	-40.56
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004577134	1	39	-1.0	-48.06	321.99	7.40	-40.66
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004577135	0	39	-1.0	-48.50	319.69	7.57	-40.93
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004577135	1	39	-1.0	-48.39	319.82	7.55	-40.84
CN(C(=O)C1CC2CCCCCCC21)C1=N[N-]N=N1	REAL250004577136	0	39	-1.0	-47.09	279.83	7.44	-39.65
CN(C(=O)C1CC2CCCCCCC21)C1=NN=N[N-]1	REAL250004577136	1	39	-1.0	-47.15	279.69	7.46	-39.69
CN(C(=O)C1=NN2CC3(CC3)CC2=C1)C1=N[N-]N=N1	REAL250004577137	0	31	-1.0	-49.97	263.73	5.55	-44.42
CN(C(=O)C1=NN2CC3(CC3)CC2=C1)C1=NN=N[N-]1	REAL250004577137	1	31	-1.0	-50.04	263.59	5.56	-44.48
COC12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)C2	REAL250004577138	0	34	-1.0	-48.60	261.04	4.26	-44.34
COC12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)C2	REAL250004577138	1	34	-1.0	-48.63	260.90	4.28	-44.35
CN(C(=O)CC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004577139	0	28	-1.0	-53.80	251.46	2.90	-50.90
CN(C(=O)CC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004577139	1	28	-1.0	-53.71	251.59	2.87	-50.84
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577140	0	29	-1.0	-43.54	272.91	5.07	-38.47
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577140	1	29	-1.0	-43.51	273.05	5.06	-38.45
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004577141	0	29	-1.0	-49.03	257.54	6.02	-43.01
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004577141	1	29	-1.0	-48.94	257.68	6.04	-42.90
CC(C)CC1=NC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004577142	0	33	-1.0	-44.33	277.03	5.92	-38.41
CC(C)CC1=NC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004577142	1	33	-1.0	-44.36	276.89	5.93	-38.43
CN(C(=O)C12CC3CC(CC(C3)O1)C2)C1=N[N-]N=N1	REAL250004577143	0	35	-1.0	-48.04	256.88	5.35	-42.69
CN(C(=O)C12CC3CC(CC(C3)O1)C2)C1=NN=N[N-]1	REAL250004577143	1	35	-1.0	-48.12	256.74	5.38	-42.74
CN(C(=O)C1(C2=CC=CS2)CCOCC1)C1=N[N-]N=N1	REAL250004577144	0	34	-1.0	-45.83	273.06	4.96	-40.87
CN(C(=O)C1(C2=CC=CS2)CCOCC1)C1=NN=N[N-]1	REAL250004577144	1	34	-1.0	-45.91	272.92	4.96	-40.95
CC1=CC=C(C(C(=O)N(C)C2=N[N-]N=N2)C2CC2)C=C1	REAL250004577145	0	36	-1.0	-48.23	292.41	8.27	-39.96
CC1=CC=C(C(C(=O)N(C)C2=NN=N[N-]2)C2CC2)C=C1	REAL250004577145	1	36	-1.0	-48.30	292.27	8.30	-40.00
CN(C(=O)C1=NN2C=CC=NC2=C1Cl)C1=NN=N[N-]1	REAL250004577147	0	25	-1.0	-54.96	242.94	4.90	-50.06
CN(C(=O)C1=NN2C=CC=NC2=C1Cl)C1=N[N-]N=N1	REAL250004577147	1	25	-1.0	-54.88	243.08	4.89	-49.99
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004577148	0	32	-1.0	-48.94	278.89	6.85	-42.09
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004577148	1	32	-1.0	-48.85	279.03	6.86	-41.99
CC1=CC(F)=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577149	0	33	-1.0	-47.11	274.35	7.28	-39.83
CC1=CC(F)=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577149	1	33	-1.0	-47.17	274.22	7.29	-39.88
CC1=CC=C(F)C=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577150	0	33	-1.0	-45.99	273.97	7.28	-38.71
CC1=CC=C(F)C=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577150	1	33	-1.0	-46.04	273.85	7.29	-38.75
CN(C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=N[N-]N=N1	REAL250004577151	0	32	-1.0	-49.81	282.73	7.54	-42.27
CN(C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=NN=N[N-]1	REAL250004577151	1	32	-1.0	-49.87	282.59	7.56	-42.31
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004577152	0	32	-1.0	-53.46	278.50	4.75	-48.71
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004577152	1	32	-1.0	-53.37	278.65	4.74	-48.63
CC1CC(C)(C(=O)N(C)C2=N[N-]N=N2)CC(C)O1	REAL250004577153	0	36	-1.0	-30.86	263.99	4.29	-26.57
CC1CC(C)(C(=O)N(C)C2=NN=N[N-]2)CC(C)O1	REAL250004577153	1	36	-1.0	-30.88	263.84	4.30	-26.58
COCCN1C=CC=C(C(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004577154	0	33	-1.0	-64.24	288.80	3.94	-60.30
COCCN1C=CC=C(C(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004577154	1	33	-1.0	-64.34	288.66	3.95	-60.39
CN(C(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NN=N[N-]1	REAL250004577155	0	31	-1.0	-57.09	261.20	4.38	-52.71
CN(C(=O)C1=CC=CC2=C1NC(=O)CC2)C1=N[N-]N=N1	REAL250004577155	1	31	-1.0	-57.00	261.34	4.37	-52.63
CC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004577157	0	29	-1.0	-41.05	257.62	6.36	-34.69
CC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004577157	1	29	-1.0	-41.14	257.48	6.40	-34.74
CN(C(=O)C1=NC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004577158	0	25	-1.0	-49.75	236.19	5.61	-44.14
CN(C(=O)C1=NC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004577158	1	25	-1.0	-49.67	236.33	5.60	-44.07
CN(C(=O)C1=CC=CN(C2CCC2)C1=O)C1=NN=N[N-]1	REAL250004577159	0	33	-1.0	-66.78	278.02	5.81	-60.97
CN(C(=O)C1=CC=CN(C2CCC2)C1=O)C1=N[N-]N=N1	REAL250004577159	1	33	-1.0	-66.80	278.16	5.80	-61.00
CN(C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004577160	0	26	-1.0	-42.31	247.75	5.98	-36.33
CN(C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004577160	1	26	-1.0	-42.34	247.62	6.01	-36.33
CN(C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004577161	0	26	-1.0	-52.00	243.46	5.74	-46.26
CN(C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004577161	1	26	-1.0	-52.06	243.33	5.76	-46.30
CCC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004577162	0	32	-1.0	-42.68	268.02	6.89	-35.79
CCC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004577162	1	32	-1.0	-42.73	267.89	6.92	-35.81
CN(C(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004577163	0	29	-1.0	-62.70	256.10	4.18	-58.52
CN(C(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004577163	1	29	-1.0	-62.63	256.24	4.16	-58.47
CN(C(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL250004577164	0	34	-1.0	-57.71	293.31	6.28	-51.43
CN(C(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL250004577164	1	34	-1.0	-57.63	293.45	6.26	-51.37
CN(C(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=N[N-]N=N1	REAL250004577165	0	34	-1.0	-52.11	283.35	4.62	-47.49
CN(C(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NN=N[N-]1	REAL250004577165	1	34	-1.0	-52.17	283.21	4.64	-47.53
CN(C(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL250004577166	0	25	-1.0	-44.63	250.70	4.77	-39.86
CN(C(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL250004577166	1	25	-1.0	-44.51	250.85	4.75	-39.76
CN(C(=O)C1=CC2=C(COCC2)N=C1Cl)C1=N[N-]N=N1	REAL250004577167	0	30	-1.0	-48.13	264.71	3.59	-44.54
CN(C(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NN=N[N-]1	REAL250004577167	1	30	-1.0	-48.22	264.57	3.59	-44.63
COC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004577168	0	34	-1.0	-53.10	291.16	5.34	-47.76
COC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004577168	1	34	-1.0	-53.03	291.30	5.30	-47.73
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004577169	0	35	-1.0	-50.55	301.39	7.09	-43.46
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004577169	1	35	-1.0	-50.65	301.26	7.13	-43.52
CN(C(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=N[N-]N=N1	REAL250004577170	0	32	-1.0	-65.44	280.25	2.53	-62.91
CN(C(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NN=N[N-]1	REAL250004577170	1	32	-1.0	-65.51	280.11	2.55	-62.96
COC(=O)C1=CSC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004577171	0	29	-1.0	-51.27	276.29	5.75	-45.52
COC(=O)C1=CSC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004577171	1	29	-1.0	-51.34	276.16	5.79	-45.55
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004577172	0	32	-1.0	-52.81	289.23	6.66	-46.15
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004577172	1	32	-1.0	-52.86	289.10	6.69	-46.17
CCCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004577173	0	31	-1.0	-46.23	267.76	4.33	-41.90
CCCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004577173	1	31	-1.0	-46.13	267.90	4.31	-41.82
C[C@H]1C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004577174	0	32	-1.0	-53.94	271.17	3.99	-49.95
C[C@H]1C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004577174	1	32	-1.0	-53.99	271.03	4.03	-49.96
CN(C(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL250004577175	0	37	-1.0	-56.52	282.25	3.10	-53.42
CN(C(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL250004577175	1	37	-1.0	-56.64	282.11	3.13	-53.51
COC(=O)[C@@H]1[C@H](C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004577176	0	32	-1.0	-52.10	266.74	5.50	-46.60
COC(=O)[C@@H]1[C@H](C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004577176	1	32	-1.0	-52.21	266.61	5.54	-46.67
CN(C(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL250004577177	0	35	-1.0	-53.28	285.53	4.41	-48.87
CN(C(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL250004577177	1	35	-1.0	-53.34	285.40	4.43	-48.91
CN(C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004577178	0	34	-1.0	-55.26	292.37	7.32	-47.94
CN(C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004577178	1	34	-1.0	-55.32	292.24	7.33	-47.99
CC1=NOC2(CC(C(=O)N(C)C3=N[N-]N=N3)C2)C1	REAL250004577179	0	31	-1.0	-47.64	261.07	4.41	-43.23
CC1=NOC2(CC(C(=O)N(C)C3=NN=N[N-]3)C2)C1	REAL250004577179	1	31	-1.0	-47.72	260.93	4.43	-43.29
CN(C(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004577181	0	30	-1.0	-46.62	251.68	3.22	-43.40
CN(C(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004577181	1	30	-1.0	-46.51	251.82	3.20	-43.31
CC(C)CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004577182	0	31	-1.0	-44.52	264.45	5.79	-38.73
CC(C)CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004577182	1	31	-1.0	-44.61	264.31	5.81	-38.80
CN(C(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL250004577183	0	33	-1.0	-46.14	283.54	3.65	-42.49
CN(C(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL250004577183	1	33	-1.0	-46.21	283.39	3.66	-42.55
CN(C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL250004577184	0	28	-1.0	-42.87	252.09	4.17	-38.70
CN(C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL250004577184	1	28	-1.0	-42.94	251.96	4.18	-38.76
CC1=NC=C2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004577185	1	29	-1.0	-45.27	258.18	6.39	-38.88
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577186	0	31	-1.0	-42.98	269.93	6.91	-36.07
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577186	1	31	-1.0	-42.90	270.06	6.90	-36.00
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004577187	0	29	-1.0	-51.21	265.94	5.09	-46.12
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004577187	1	29	-1.0	-51.30	265.80	5.10	-46.20
CN(C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL250004577188	0	30	-1.0	-52.24	266.01	6.94	-45.30
CN(C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL250004577188	1	30	-1.0	-52.11	266.16	6.94	-45.17
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577189	0	32	-1.0	-44.10	280.53	7.31	-36.79
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577189	1	32	-1.0	-44.07	280.67	7.33	-36.74
CN(C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL250004577190	0	28	-1.0	-43.39	254.66	4.60	-38.79
CN(C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL250004577190	1	28	-1.0	-43.34	254.79	4.58	-38.76
CN(C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004577191	0	28	-1.0	-47.37	249.05	5.48	-41.89
CN(C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004577191	1	28	-1.0	-47.32	249.20	5.48	-41.84
CN(C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL250004577192	0	32	-1.0	-51.04	271.90	4.68	-46.36
CN(C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL250004577192	1	32	-1.0	-50.99	272.03	4.68	-46.31
CN(C(=O)C1=NC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004577193	0	34	-1.0	-50.55	266.00	5.51	-45.04
CN(C(=O)C1=NC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004577193	1	34	-1.0	-50.42	266.12	5.51	-44.91
CC1=C(F)C=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004577194	0	33	-1.0	-50.64	275.25	7.27	-43.37
CC1=C(F)C=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004577194	1	33	-1.0	-50.74	275.13	7.30	-43.44
CN(C(=O)C1(C2=CC=CS2)CCCC1)C1=N[N-]N=N1	REAL250004577195	0	33	-1.0	-46.57	267.84	6.81	-39.76
CN(C(=O)C1(C2=CC=CS2)CCCC1)C1=NN=N[N-]1	REAL250004577195	1	33	-1.0	-46.63	267.70	6.83	-39.80
CN(C(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NN=N[N-]1	REAL250004577196	0	28	-1.0	-44.91	249.21	5.75	-39.16
CN(C(=O)C1=CC=CC(C(C)(F)F)=N1)C1=N[N-]N=N1	REAL250004577196	1	28	-1.0	-44.79	249.36	5.75	-39.04
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004577197	0	34	-1.0	-45.07	265.69	4.69	-40.38
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004577197	1	34	-1.0	-45.11	265.56	4.72	-40.39
CN(C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL250004577198	0	30	-1.0	-49.34	260.83	8.00	-41.34
CN(C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL250004577198	1	30	-1.0	-49.31	260.97	8.00	-41.31
CN(C(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004577199	0	31	-1.0	-51.20	273.00	3.67	-47.53
CN(C(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004577199	1	31	-1.0	-51.22	272.86	3.71	-47.51
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577200	0	30	-1.0	-55.77	252.15	2.43	-53.34
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577200	1	30	-1.0	-55.68	252.29	2.43	-53.25
CN(C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL250004577201	0	29	-1.0	-50.80	272.23	4.48	-46.32
CN(C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL250004577201	1	29	-1.0	-50.86	272.10	4.51	-46.35
CCC1=CN2CCC(C(=O)N(C)C3=N[N-]N=N3)CC2=N1	REAL250004577202	0	36	-1.0	-48.01	288.32	6.51	-41.50
CCC1=CN2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2=N1	REAL250004577202	1	36	-1.0	-48.11	288.19	6.53	-41.58
CN(C(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL250004577203	0	42	-1.0	-46.88	307.63	8.41	-38.47
CN(C(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL250004577203	1	42	-1.0	-46.96	307.49	8.42	-38.54
COC1=C2C(C(=O)N(C)C3=NN=N[N-]3)=CSC2=CC=C1	REAL250004577204	0	30	-1.0	-52.41	261.59	6.95	-45.46
COC1=C2C(C(=O)N(C)C3=N[N-]N=N3)=CSC2=CC=C1	REAL250004577204	1	30	-1.0	-52.31	261.73	6.94	-45.37
CN(C(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL250004577205	0	25	-1.0	-47.54	231.17	4.83	-42.71
CN(C(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL250004577205	1	25	-1.0	-47.45	231.32	4.80	-42.65
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004577206	0	28	-1.0	-65.08	248.11	3.52	-61.56
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004577206	1	28	-1.0	-64.99	248.24	3.51	-61.48
CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577207	0	29	-1.0	-52.29	265.43	6.05	-46.24
CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577207	1	29	-1.0	-52.23	265.57	6.04	-46.19
CN(C(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004577208	0	30	-1.0	-55.77	267.72	4.88	-50.89
CN(C(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004577208	1	30	-1.0	-55.68	267.86	4.86	-50.82
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004577209	0	27	-1.0	-53.42	260.68	5.02	-48.40
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004577209	1	27	-1.0	-53.37	260.82	4.99	-48.38
CN(C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=N[N-]N=N1	REAL250004577210	0	32	-1.0	-50.70	250.63	0.26	-50.44
CN(C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=NN=N[N-]1	REAL250004577210	1	32	-1.0	-50.77	250.49	0.27	-50.50
CCOC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004577211	0	27	-1.0	-53.65	246.38	4.48	-49.17
CCOC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004577211	1	27	-1.0	-53.57	246.52	4.47	-49.10
CN(C)C1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004577212	0	33	-1.0	-59.57	284.20	3.63	-55.94
CN(C)C1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004577212	1	33	-1.0	-59.51	284.34	3.60	-55.91
CCC(=CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004577213	0	33	-1.0	-46.16	275.39	7.53	-38.63
CCC(=CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004577213	1	33	-1.0	-46.06	275.54	7.53	-38.53
CN(C(=O)C1CCN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004577214	0	35	-1.0	-51.01	278.34	5.51	-45.50
CN(C(=O)C1CCN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004577214	1	35	-1.0	-50.92	278.47	5.49	-45.43
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=N[N-]N=N1	REAL250004577215	0	33	-1.0	-49.60	285.61	6.74	-42.86
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=NN=N[N-]1	REAL250004577215	1	33	-1.0	-49.68	285.52	6.76	-42.92
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL250004577216	0	32	-1.0	-50.10	279.29	5.11	-44.99
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL250004577216	1	32	-1.0	-50.05	279.39	5.10	-44.95
CC(=O)C1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577217	0	29	-1.0	-56.59	261.56	4.71	-51.88
CC(=O)C1=CC=CC(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577217	1	29	-1.0	-56.62	261.46	4.72	-51.90
CC(C)C1=CC=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004577218	0	33	-1.0	-47.71	279.68	6.29	-41.42
CC(C)C1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004577218	1	33	-1.0	-47.80	279.58	6.30	-41.50
O=C(COC1=CC=CC2=CC=CN=C21)NC1=NN=N[N-]1	REAL250004577219	0	29	-1.0	-56.68	261.82	4.77	-51.91
O=C(COC1=CC=CC2=CC=CN=C21)NC1=N[N-]N=N1	REAL250004577219	1	29	-1.0	-56.64	261.92	4.76	-51.88
O=C(C=CC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004577220	0	26	-1.0	-45.04	256.96	4.72	-40.32
O=C(C=CC1=NC2=CC=CC=C2S1)NC1=NN=N[N-]1	REAL250004577220	1	26	-1.0	-45.06	256.86	4.73	-40.33
O=C(C=CC1=NC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004577221	0	29	-1.0	-47.03	265.71	5.64	-41.39
O=C(C=CC1=NC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004577221	1	29	-1.0	-46.97	265.81	5.62	-41.35
CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OCC	REAL250004577222	0	37	-1.0	-45.44	311.23	5.66	-39.78
CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OCC	REAL250004577222	1	37	-1.0	-45.42	311.33	5.65	-39.77
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1OC(F)F	REAL250004577223	0	28	-1.0	-50.59	253.82	4.36	-46.23
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1OC(F)F	REAL250004577223	1	28	-1.0	-50.51	253.95	4.35	-46.16
O=C(CCNC(=O)C1=CC=CO1)NC1=N[N-]N=N1	REAL250004577224	0	27	-1.0	-52.24	252.85	0.94	-51.30
O=C(CCNC(=O)C1=CC=CO1)NC1=NN=N[N-]1	REAL250004577224	1	27	-1.0	-52.30	252.76	0.95	-51.35
O=C(COC1=C(Cl)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004577225	0	24	-1.0	-48.03	257.06	5.53	-42.50
O=C(COC1=C(Cl)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004577225	1	24	-1.0	-48.06	256.97	5.54	-42.52
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1=N[N-]N=N1	REAL250004577226	0	32	-1.0	-50.61	278.27	1.55	-49.06
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1=NN=N[N-]1	REAL250004577226	1	32	-1.0	-50.68	278.17	1.56	-49.12
CC12CCC(=O)N1C(C(=O)NC1=N[N-]N=N1)CS2	REAL250004577227	0	29	-1.0	-52.28	260.73	3.30	-48.98
CC12CCC(=O)N1C(C(=O)NC1=NN=N[N-]1)CS2	REAL250004577227	1	29	-1.0	-52.35	260.64	3.31	-49.04
O=C(CSC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004577228	0	24	-1.0	-43.82	237.07	5.02	-38.80
O=C(CSC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004577228	1	24	-1.0	-43.91	236.97	5.02	-38.89
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577229	0	26	-1.0	-50.78	235.41	2.33	-48.45
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577229	1	26	-1.0	-50.65	235.51	2.32	-48.33
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004577230	0	28	-1.0	-45.48	255.77	3.30	-42.18
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004577230	1	28	-1.0	-45.39	255.87	3.29	-42.10
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL250004577231	0	34	-1.0	-45.83	298.57	7.10	-38.73
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL250004577231	1	34	-1.0	-45.78	298.67	7.10	-38.68
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004577232	0	31	-1.0	-53.06	278.05	3.29	-49.77
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004577232	1	31	-1.0	-53.10	277.95	3.31	-49.79
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1=CC=CC=C1	REAL250004577233	0	30	-1.0	-47.14	261.65	7.37	-39.77
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1=CC=CC=C1	REAL250004577233	1	30	-1.0	-47.07	261.75	7.36	-39.71
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004577234	0	37	-1.0	-54.56	301.49	4.14	-50.42
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004577234	1	37	-1.0	-54.65	301.40	4.16	-50.49
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL250004577235	0	36	-1.0	-48.35	302.31	8.96	-39.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL250004577235	1	36	-1.0	-48.24	302.41	8.94	-39.30
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL250004577236	0	31	-1.0	-50.18	265.02	4.94	-45.24
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2=O)C=C1	REAL250004577236	1	31	-1.0	-50.14	265.12	4.93	-45.21
CC1CCC2=C(C1)C1=CC(C(=O)NC3=NN=N[N-]3)=CC=C1N2	REAL250004577237	0	37	-1.0	-49.32	303.08	6.90	-42.42
CC1CCC2=C(C1)C1=CC(C(=O)NC3=N[N-]N=N3)=CC=C1N2	REAL250004577237	1	37	-1.0	-49.27	303.18	6.89	-42.38
O=C(CN1C=NC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004577238	0	28	-1.0	-54.41	257.79	4.99	-49.42
O=C(CN1C=NC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004577238	1	28	-1.0	-54.45	257.69	5.00	-49.45
O=C(C=CC1=CC=C(OC(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577239	0	28	-1.0	-46.98	261.20	4.57	-42.41
O=C(C=CC1=CC=C(OC(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577239	1	28	-1.0	-47.03	261.10	4.57	-42.46
CC1=CC(C)=C(OCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004577240	0	33	-1.0	-46.40	284.27	6.44	-39.96
CC1=CC(C)=C(OCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004577240	1	33	-1.0	-46.50	284.18	6.45	-40.05
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004577241	0	30	-1.0	-52.45	285.34	3.43	-49.02
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004577241	1	30	-1.0	-52.46	285.25	3.45	-49.01
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL250004577242	0	35	-1.0	-47.19	295.63	4.42	-42.77
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2CCCO2)C=C1	REAL250004577242	1	35	-1.0	-47.13	295.73	4.42	-42.71
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004577243	0	36	-1.0	-47.26	298.69	6.78	-40.48
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004577243	1	36	-1.0	-47.37	298.60	6.79	-40.58
O=C(COC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004577244	0	30	-1.0	-49.81	266.10	6.62	-43.19
O=C(COC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004577244	1	30	-1.0	-49.88	266.01	6.63	-43.25
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL250004577245	0	32	-1.0	-45.46	282.40	7.15	-38.31
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C1C=CC1=C2C=CC=C1	REAL250004577245	1	32	-1.0	-45.41	282.50	7.14	-38.27
CC1=CC=C(Cl)C(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577246	0	27	-1.0	-49.39	258.50	5.52	-43.87
CC1=CC=C(Cl)C(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577246	1	27	-1.0	-49.46	258.41	5.53	-43.93
O=C(COC1=CC=C2CCCC2=C1)NC1=N[N-]N=N1	REAL250004577247	0	31	-1.0	-48.03	266.62	6.23	-41.80
O=C(COC1=CC=C2CCCC2=C1)NC1=NN=N[N-]1	REAL250004577247	1	31	-1.0	-48.12	266.53	6.24	-41.88
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004577248	0	29	-1.0	-43.66	267.30	5.47	-38.19
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004577248	1	29	-1.0	-43.61	267.39	5.46	-38.15
CC1=CC(Cl)=CC=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL250004577249	0	30	-1.0	-45.31	274.50	6.15	-39.16
CC1=CC(Cl)=CC=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL250004577249	1	30	-1.0	-45.38	274.40	6.17	-39.21
COC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004577250	0	24	-1.0	-47.48	231.45	4.83	-42.65
COC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004577250	1	24	-1.0	-47.42	231.55	4.81	-42.61
COC1=CC(C(=O)NC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL250004577251	0	30	-1.0	-51.58	272.70	4.33	-47.25
COC1=CC(C(=O)NC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL250004577251	1	30	-1.0	-51.53	272.78	4.32	-47.21
O=C(NC1=NN=N[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL250004577252	0	26	-1.0	-45.49	247.35	2.82	-42.67
O=C(NC1=N[N-]N=N1)C1=CC=C2SCC(=O)NC2=C1	REAL250004577252	1	26	-1.0	-45.42	247.45	2.82	-42.60
CCCOC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577253	0	34	-1.0	-47.50	293.91	5.33	-42.17
CCCOC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577253	1	34	-1.0	-47.56	293.82	5.34	-42.22
O=C(NC1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL250004577254	0	34	-1.0	-46.53	298.67	7.09	-39.44
O=C(NC1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL250004577254	1	34	-1.0	-46.47	298.77	7.07	-39.40
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL250004577255	0	34	-1.0	-48.93	298.65	7.09	-41.84
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL250004577255	1	34	-1.0	-48.88	298.75	7.07	-41.81
CCOC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577256	0	31	-1.0	-47.84	272.42	4.53	-43.31
CCOC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577256	1	31	-1.0	-47.91	272.32	4.54	-43.37
CC1SC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2NC1=O	REAL250004577257	0	29	-1.0	-44.85	266.84	3.54	-41.31
CC1SC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2NC1=O	REAL250004577257	1	29	-1.0	-44.81	266.94	3.54	-41.27
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CS1	REAL250004577258	0	27	-1.0	-46.44	253.58	6.43	-40.01
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CS1	REAL250004577258	1	27	-1.0	-46.35	253.68	6.41	-39.94
COCC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004577259	0	30	-1.0	-45.72	270.06	3.95	-41.77
COCC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004577259	1	30	-1.0	-45.67	270.16	3.94	-41.73
O=C(NC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004577260	0	31	-1.0	-46.30	277.22	3.50	-42.80
O=C(NC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004577260	1	31	-1.0	-46.38	277.12	3.52	-42.86
O=C(CCC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004577261	0	26	-1.0	-43.28	254.84	5.89	-37.39
O=C(CCC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004577261	1	26	-1.0	-43.40	254.74	5.91	-37.49
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL250004577262	0	24	-1.0	-48.26	224.49	4.57	-43.69
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL250004577262	1	24	-1.0	-48.18	224.59	4.57	-43.61
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004577263	0	34	-1.0	-49.92	284.06	5.73	-44.19
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004577263	1	34	-1.0	-50.01	283.97	5.75	-44.26
CCCN1C(C)=CC(C=C(C#N)C(=O)NC2=N[N-]N=N2)=C1C	REAL250004577264	0	38	-1.0	-47.54	325.62	7.38	-40.16
CCCN1C(C)=CC(C=C(C#N)C(=O)NC2=NN=N[N-]2)=C1C	REAL250004577264	1	38	-1.0	-47.66	325.55	7.38	-40.28
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1C	REAL250004577265	0	32	-1.0	-49.30	278.39	6.04	-43.26
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1C	REAL250004577265	1	32	-1.0	-49.35	278.29	6.05	-43.30
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCCCC2)S1	REAL250004577266	0	33	-1.0	-44.22	268.72	6.30	-37.92
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCCCC2)S1	REAL250004577266	1	33	-1.0	-44.17	268.82	6.29	-37.88
O=C(NC1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL250004577267	0	31	-1.0	-45.21	281.42	7.59	-37.62
O=C(NC1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL250004577267	1	31	-1.0	-45.14	281.53	7.58	-37.56
O=C(NC1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL250004577268	0	29	-1.0	-45.21	272.75	5.75	-39.46
O=C(NC1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL250004577268	1	29	-1.0	-45.14	272.86	5.74	-39.40
O=C(C=CC1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL250004577269	0	30	-1.0	-47.63	266.51	4.14	-43.49
O=C(C=CC1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL250004577269	1	30	-1.0	-47.67	266.41	4.13	-43.54
O=C(CCS(=O)(=O)C1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004577270	0	29	-1.0	-47.48	279.21	2.36	-45.12
O=C(CCS(=O)(=O)C1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004577270	1	29	-1.0	-47.52	279.11	2.38	-45.14
CCCC1=C(CC)C=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004577271	0	32	-1.0	-43.69	282.42	6.40	-37.29
CCCC1=C(CC)C=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004577271	1	32	-1.0	-43.66	282.52	6.39	-37.27
CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004577272	0	35	-1.0	-47.43	302.51	5.12	-42.31
CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004577272	1	35	-1.0	-47.50	302.41	5.12	-42.38
CCOC1=C(Cl)C=C(C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004577273	0	31	-1.0	-41.23	287.86	4.62	-36.61
CCOC1=C(Cl)C=C(C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004577273	1	31	-1.0	-41.14	287.96	4.61	-36.53
CSC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004577274	0	26	-1.0	-48.68	250.92	5.33	-43.35
CSC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004577274	1	26	-1.0	-48.60	251.07	5.33	-43.27
CC1=NOC(C)=C1CSCC(=O)NC1=N[N-]N=N1	REAL250004577275	0	29	-1.0	-49.31	273.70	4.63	-44.68
CC1=NOC(C)=C1CSCC(=O)NC1=NN=N[N-]1	REAL250004577275	1	29	-1.0	-49.36	273.61	4.63	-44.73
CSCC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004577276	0	30	-1.0	-44.96	281.11	6.11	-38.85
CSCC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004577276	1	30	-1.0	-44.90	281.22	6.10	-38.80
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=C1OC	REAL250004577277	0	28	-1.0	-41.32	266.01	3.66	-37.66
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=C1OC	REAL250004577277	1	28	-1.0	-41.25	266.11	3.66	-37.59
O=C(CSCC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004577278	0	27	-1.0	-46.74	262.98	5.93	-40.81
O=C(CSCC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004577278	1	27	-1.0	-46.85	262.89	5.93	-40.92
CC1=CC=CC(CSCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577279	0	30	-1.0	-46.70	277.98	6.52	-40.18
CC1=CC=CC(CSCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577279	1	30	-1.0	-46.77	277.88	6.52	-40.25
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=N[N-]N=N1	REAL250004577280	0	23	-1.0	-53.79	233.71	2.89	-50.90
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=NN=N[N-]1	REAL250004577280	1	23	-1.0	-53.86	233.61	2.91	-50.95
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577281	0	34	-1.0	-42.88	295.36	7.86	-35.02
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577281	1	34	-1.0	-42.77	295.46	7.85	-34.92
CC1=CC=CC(N2N=C(C(=O)NC3=N[N-]N=N3)CCC2=O)=C1	REAL250004577282	0	34	-1.0	-42.14	298.20	5.12	-37.02
CC1=CC=CC(N2N=C(C(=O)NC3=NN=N[N-]3)CCC2=O)=C1	REAL250004577282	1	34	-1.0	-42.19	298.09	5.13	-37.06
O=C(C=CC1=CC=C(Br)C=C1)NC1=N[N-]N=N1	REAL250004577283	0	24	-1.0	-43.56	243.32	5.61	-37.95
O=C(C=CC1=CC=C(Br)C=C1)NC1=NN=N[N-]1	REAL250004577283	1	24	-1.0	-43.66	243.22	5.62	-38.04
O=C(CCSC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004577284	0	27	-1.0	-42.88	258.74	5.80	-37.08
O=C(CCSC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004577284	1	27	-1.0	-42.93	258.64	5.82	-37.11
O=C(CSC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004577285	0	24	-1.0	-46.73	245.68	5.40	-41.33
O=C(CSC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004577285	1	24	-1.0	-46.78	245.59	5.40	-41.38
CC1=CC=C(SCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004577286	0	30	-1.0	-44.71	270.57	6.19	-38.52
CC1=CC=C(SCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004577286	1	30	-1.0	-44.78	270.48	6.19	-38.59
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004577287	0	27	-1.0	-45.33	254.86	6.04	-39.29
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004577287	1	27	-1.0	-45.40	254.77	6.05	-39.35
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL250004577288	0	33	-1.0	-47.38	266.71	6.94	-40.44
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCC1	REAL250004577288	1	33	-1.0	-47.34	266.85	6.93	-40.41
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1=N[N-]N=N1	REAL250004577289	0	32	-1.0	-50.50	273.05	3.99	-46.51
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1=NN=N[N-]1	REAL250004577289	1	32	-1.0	-50.59	272.95	4.00	-46.59
CC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004577290	0	31	-1.0	-45.32	266.53	5.44	-39.88
CC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004577290	1	31	-1.0	-45.24	266.63	5.44	-39.80
CC(C(=O)NC1=N[N-]N=N1)N1C(=O)C2CCCCC2C1=O	REAL250004577291	0	36	-1.0	-49.71	293.93	4.09	-45.62
CC(C(=O)NC1=NN=N[N-]1)N1C(=O)C2CCCCC2C1=O	REAL250004577291	1	36	-1.0	-49.75	293.83	4.11	-45.64
O=C(NC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL250004577292	0	32	-1.0	-40.56	290.54	4.81	-35.75
O=C(NC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL250004577292	1	32	-1.0	-40.61	290.44	4.81	-35.80
CCCCC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004577293	0	38	-1.0	-43.23	295.37	6.84	-36.39
CCCCC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004577293	1	38	-1.0	-43.30	295.28	6.86	-36.44
O=C(NC1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004577294	0	35	-1.0	-46.43	263.06	2.37	-44.06
O=C(NC1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004577294	1	35	-1.0	-46.47	262.96	2.38	-44.09
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004577295	0	36	-1.0	-45.40	312.70	6.25	-39.15
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004577295	1	36	-1.0	-45.46	312.59	6.27	-39.19
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1C	REAL250004577296	0	31	-1.0	-43.09	265.04	3.23	-39.86
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1C	REAL250004577296	1	31	-1.0	-43.03	265.13	3.21	-39.82
COC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004577297	0	34	-1.0	-46.29	292.29	4.47	-41.82
COC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004577297	1	34	-1.0	-46.40	292.20	4.49	-41.91
CCOC1=CC=C2OC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004577298	0	33	-1.0	-43.14	287.80	5.10	-38.04
CCOC1=CC=C2OC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004577298	1	33	-1.0	-43.09	287.90	5.10	-37.99
O=C(CC1=NNC(=O)C2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004577299	0	28	-1.0	-57.12	253.56	2.53	-54.59
O=C(CC1=NNC(=O)C2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004577299	1	28	-1.0	-57.01	253.65	2.52	-54.49
O=C(CSC1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL250004577300	0	30	-1.0	-47.73	275.16	4.09	-43.64
O=C(CSC1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL250004577300	1	30	-1.0	-47.79	275.07	4.09	-43.70
CC1=C(C(C)C)C=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004577301	0	38	-1.0	-49.18	317.58	7.28	-41.90
CC1=C(C(C)C)C=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004577301	1	38	-1.0	-49.20	317.49	7.31	-41.89
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004577302	0	29	-1.0	-48.76	261.34	5.53	-43.23
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004577302	1	29	-1.0	-48.63	261.44	5.51	-43.12
CCC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004577303	0	32	-1.0	-48.51	282.92	6.27	-42.24
CCC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004577303	1	32	-1.0	-48.55	282.83	6.29	-42.26
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=NN=N[N-]1	REAL250004577304	0	32	-1.0	-51.00	281.35	6.94	-44.06
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=N[N-]N=N1	REAL250004577304	1	32	-1.0	-50.96	281.44	6.93	-44.03
O=C(CSC1=NC2=CC=CC=C2S1)NC1=NN=N[N-]1	REAL250004577305	0	26	-1.0	-44.53	265.76	4.63	-39.90
O=C(CSC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004577305	1	26	-1.0	-44.46	265.86	4.63	-39.83
CC(=O)NC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577306	0	31	-1.0	-52.03	278.02	3.89	-48.14
CC(=O)NC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577306	1	31	-1.0	-52.09	277.92	3.89	-48.20
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=N[N-]N=N1	REAL250004577307	0	29	-1.0	-58.56	268.76	5.83	-52.73
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=NN=N[N-]1	REAL250004577307	1	29	-1.0	-58.63	268.67	5.84	-52.79
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004577308	0	30	-1.0	-47.31	280.53	6.85	-40.46
COC1=CC=C2OC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004577309	0	30	-1.0	-43.39	265.95	4.17	-39.22
COC1=CC=C2OC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004577309	1	30	-1.0	-43.32	266.05	4.16	-39.16
CCN1N=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004577310	0	31	-1.0	-41.67	273.24	4.16	-37.51
CCN1N=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004577310	1	31	-1.0	-41.61	273.34	4.16	-37.45
O=C(CSC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004577311	0	24	-1.0	-43.49	247.39	5.47	-38.02
O=C(CSC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004577311	1	24	-1.0	-43.59	247.30	5.47	-38.12
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=NN=N[N-]1	REAL250004577312	0	29	-1.0	-52.33	275.73	5.45	-46.88
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=N[N-]N=N1	REAL250004577312	1	29	-1.0	-52.26	275.82	5.44	-46.82
CCC1(CC)NC(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004577313	0	34	-1.0	-51.86	289.19	2.34	-49.52
CCC1(CC)NC(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004577313	1	34	-1.0	-51.94	289.10	2.35	-49.59
CCC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N=C1CC	REAL250004577314	0	36	-1.0	-47.72	302.99	4.73	-42.99
CCC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N=C1CC	REAL250004577314	1	36	-1.0	-47.65	303.08	4.72	-42.93
CC1=C(C)C=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004577315	0	32	-1.0	-49.20	279.05	6.05	-43.15
CC1=C(C)C=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004577315	1	32	-1.0	-49.24	278.96	6.07	-43.17
CC12CC3CC(C)(C1)CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL250004577316	0	40	-1.0	-44.56	292.67	6.69	-37.87
CC12CC3CC(C)(C1)CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004577316	1	40	-1.0	-44.61	292.58	6.70	-37.91
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NC1=N[N-]N=N1	REAL250004577317	0	26	-1.0	-48.18	249.26	4.99	-43.19
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NC1=NN=N[N-]1	REAL250004577317	1	26	-1.0	-48.23	249.17	5.00	-43.23
CCC(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004577318	0	35	-1.0	-44.50	273.95	7.23	-37.27
CCC(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004577318	1	35	-1.0	-44.55	273.85	7.23	-37.32
O=C(CCC1=CC=C(Cl)C=C1Cl)NC1=N[N-]N=N1	REAL250004577319	0	26	-1.0	-42.83	264.03	6.19	-36.64
O=C(CCC1=CC=C(Cl)C=C1Cl)NC1=NN=N[N-]1	REAL250004577319	1	26	-1.0	-42.98	263.94	6.21	-36.77
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577320	0	28	-1.0	-49.20	254.50	2.03	-47.17
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577320	1	28	-1.0	-49.16	254.60	2.03	-47.13
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577321	0	27	-1.0	-43.92	260.73	5.99	-37.93
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577321	1	27	-1.0	-44.00	260.63	6.00	-38.00
O=C(NC1=NN=N[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL250004577322	0	33	-1.0	-46.95	275.64	4.59	-42.36
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CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004577383	0	30	-1.0	-44.82	254.18	5.22	-39.60
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004577383	1	30	-1.0	-44.87	254.09	5.24	-39.63
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL250004577384	0	31	-1.0	-53.06	281.00	5.11	-47.95
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O=C(NC1=NN=N[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL250004577387	0	31	-1.0	-58.39	274.59	4.30	-54.09
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CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004577388	0	29	-1.0	-45.21	277.51	6.06	-39.15
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004577388	1	29	-1.0	-45.31	277.42	6.08	-39.23
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CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004577390	1	29	-1.0	-51.66	280.96	2.59	-49.07
CC1(C2CC2)NC(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004577391	0	32	-1.0	-50.57	281.86	2.44	-48.13
CC1(C2CC2)NC(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004577391	1	32	-1.0	-50.64	281.76	2.45	-48.19
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O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL250004577394	0	22	-1.0	-45.17	228.02	4.84	-40.33
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL250004577394	1	22	-1.0	-45.14	228.12	4.83	-40.31
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL250004577395	0	24	-1.0	-39.33	243.80	5.14	-34.19
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL250004577395	1	24	-1.0	-39.26	243.89	5.13	-34.13
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COC1=CC=C(C(C)=O)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004577398	0	32	-1.0	-52.24	283.01	4.32	-47.92
COC1=CC=C(C(C)=O)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004577398	1	32	-1.0	-52.30	282.91	4.34	-47.96
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CCCC1	REAL250004577399	0	33	-1.0	-51.32	273.40	6.98	-44.34
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL250004577399	1	33	-1.0	-51.37	273.31	7.00	-44.37
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O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004577400	1	24	-1.0	-42.20	233.40	3.61	-38.59
COC1=CC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004577401	0	30	-1.0	-49.71	260.61	6.60	-43.11
COC1=CC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004577401	1	30	-1.0	-49.59	260.71	6.58	-43.01
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O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1=O	REAL250004577402	1	25	-1.0	-50.96	234.31	5.27	-45.69
CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OCC	REAL250004577403	0	34	-1.0	-45.85	289.73	4.86	-40.99
CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OCC	REAL250004577403	1	34	-1.0	-45.77	289.83	4.85	-40.92
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004577404	0	26	-1.0	-49.91	242.80	4.55	-45.36
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004577404	1	26	-1.0	-49.88	242.90	4.55	-45.33
O=C(CC1=CC=C2CCCCC2=C1)NC1=N[N-]N=N1	REAL250004577405	0	33	-1.0	-45.64	274.85	6.96	-38.68
O=C(CC1=CC=C2CCCCC2=C1)NC1=NN=N[N-]1	REAL250004577405	1	33	-1.0	-45.72	274.75	6.98	-38.74
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NC1=N[N-]N=N1	REAL250004577406	0	31	-1.0	-48.99	292.58	7.08	-41.91
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NC1=NN=N[N-]1	REAL250004577406	1	31	-1.0	-49.10	292.47	7.08	-42.02
CC1(C(=O)NC2=N[N-]N=N2)CC2=CC=CC=C2C(=O)O1	REAL250004577407	0	30	-1.0	-43.99	262.24	5.22	-38.77
CC1(C(=O)NC2=NN=N[N-]2)CC2=CC=CC=C2C(=O)O1	REAL250004577407	1	30	-1.0	-44.04	262.15	5.23	-38.81
O=C(NC1=N[N-]N=N1)C1CC2=CC=CC=C2C(=O)O1	REAL250004577408	0	27	-1.0	-50.39	246.63	5.45	-44.94
O=C(NC1=NN=N[N-]1)C1CC2=CC=CC=C2C(=O)O1	REAL250004577408	1	27	-1.0	-50.45	246.53	5.46	-44.99
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL250004577409	0	34	-1.0	-44.48	296.13	6.85	-37.63
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL250004577409	1	34	-1.0	-44.37	296.23	6.85	-37.52
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL250004577410	0	27	-1.0	-45.99	268.04	6.13	-39.86
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL250004577410	1	27	-1.0	-45.88	268.14	6.12	-39.76
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL250004577411	0	31	-1.0	-47.65	277.82	6.72	-40.93
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL250004577411	1	31	-1.0	-47.61	277.92	6.69	-40.92
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC(F)F)=C1	REAL250004577412	0	24	-1.0	-46.29	226.64	3.40	-42.89
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC(F)F)=C1	REAL250004577412	1	24	-1.0	-46.23	226.74	3.37	-42.86
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004577413	0	33	-1.0	-46.76	286.36	7.88	-38.88
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004577413	1	33	-1.0	-46.88	286.27	7.90	-38.98
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1OC	REAL250004577414	0	32	-1.0	-43.52	279.19	2.96	-40.56
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1OC	REAL250004577414	1	32	-1.0	-43.41	279.29	2.95	-40.46
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC(OC)=C1OC	REAL250004577415	0	35	-1.0	-48.70	304.05	3.60	-45.10
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC(OC)=C1OC	REAL250004577415	1	35	-1.0	-48.80	303.96	3.61	-45.19
O=C(NC1=NN=N[N-]1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL250004577416	0	32	-1.0	-48.25	276.99	6.97	-41.28
O=C(NC1=N[N-]N=N1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL250004577416	1	32	-1.0	-48.23	277.09	6.96	-41.27
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)O1	REAL250004577417	0	17	-1.0	-39.94	193.32	2.55	-37.39
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)O1	REAL250004577417	1	17	-1.0	-39.87	193.42	2.53	-37.34
CCCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577418	0	36	-1.0	-44.06	303.16	6.41	-37.65
CCCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577418	1	36	-1.0	-43.93	303.26	6.41	-37.52
O=C(NC1=NN=N[N-]1)C1=CN=CC(Br)=C1	REAL250004577419	0	19	-1.0	-40.90	203.73	2.63	-38.27
O=C(NC1=N[N-]N=N1)C1=CN=CC(Br)=C1	REAL250004577419	1	19	-1.0	-40.80	203.82	2.63	-38.17
O=C(CC1=C(F)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004577420	0	23	-1.0	-45.19	231.52	4.91	-40.28
O=C(CC1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004577420	1	23	-1.0	-45.25	231.42	4.93	-40.32
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL250004577421	0	22	-1.0	-41.61	228.11	4.98	-36.63
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL250004577421	1	22	-1.0	-41.50	228.21	4.97	-36.53
O=C(NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL250004577422	0	20	-1.0	-46.18	215.11	4.77	-41.41
O=C(NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1Cl	REAL250004577422	1	20	-1.0	-46.10	215.21	4.76	-41.34
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL250004577423	0	20	-1.0	-43.18	216.66	4.83	-38.35
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL250004577423	1	20	-1.0	-43.10	216.76	4.82	-38.28
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL250004577424	0	20	-1.0	-47.47	222.68	4.53	-42.94
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL250004577424	1	20	-1.0	-47.42	222.77	4.51	-42.91
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL250004577425	0	20	-1.0	-40.26	220.87	4.82	-35.44
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL250004577425	1	20	-1.0	-40.18	220.96	4.81	-35.37
O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004577426	0	23	-1.0	-44.31	244.07	5.44	-38.87
O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004577426	1	23	-1.0	-44.36	243.97	5.46	-38.90
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250004577427	0	30	-1.0	-45.45	261.50	7.22	-38.23
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250004577427	1	30	-1.0	-45.44	261.60	7.21	-38.23
O=C(NC1=NN=N[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL250004577428	0	33	-1.0	-46.82	282.61	7.73	-39.09
O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL250004577428	1	33	-1.0	-46.77	282.70	7.72	-39.05
O=C(COC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004577429	0	24	-1.0	-45.92	237.79	4.84	-41.08
O=C(COC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004577429	1	24	-1.0	-45.99	237.70	4.85	-41.14
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=C1OC	REAL250004577430	0	32	-1.0	-48.53	280.13	4.09	-44.44
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=C1OC	REAL250004577430	1	32	-1.0	-48.43	280.22	4.08	-44.35
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1Cl	REAL250004577431	0	22	-1.0	-43.19	228.12	4.98	-38.21
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1Cl	REAL250004577431	1	22	-1.0	-43.15	228.22	4.97	-38.18
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004577432	0	31	-1.0	-43.68	276.03	6.68	-37.00
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004577432	1	31	-1.0	-43.83	276.13	6.67	-37.16
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004577433	0	23	-1.0	-49.84	217.57	4.83	-45.01
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004577433	1	23	-1.0	-49.77	217.67	4.82	-44.95
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004577434	0	23	-1.0	-41.62	226.11	4.81	-36.81
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004577434	1	23	-1.0	-41.57	226.21	4.79	-36.78
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004577435	0	23	-1.0	-45.31	226.45	4.83	-40.48
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CC1=C([N+](=O)[O-])C=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004577485	0	27	-1.0	-39.23	253.76	5.47	-33.76
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CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577530	0	31	-1.0	-46.80	282.09	1.85	-44.95
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CCOC1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004577531	1	31	-1.0	-52.27	272.07	5.01	-47.26
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CCOC1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004577546	0	33	-1.0	-45.75	283.71	5.57	-40.18
CCOC1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004577546	1	33	-1.0	-45.85	283.62	5.58	-40.27
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CC(C)C1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577595	0	33	-1.0	-46.90	281.26	6.25	-40.65
CC(C)C1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577595	1	33	-1.0	-46.94	281.17	6.26	-40.68
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004577596	0	31	-1.0	-52.55	280.07	4.46	-48.09
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CC(C)(C)OC(=O)NCCC(=O)NC1=N[N-]N=N1	REAL250004577598	0	33	-1.0	-49.49	278.65	1.23	-48.26
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COC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004577606	0	26	-1.0	-48.02	242.90	4.99	-43.03
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004577606	1	26	-1.0	-47.95	243.00	4.96	-42.99
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004577607	0	31	-1.0	-48.80	281.65	6.25	-42.55
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004577607	1	31	-1.0	-48.90	281.54	6.25	-42.65
COC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC(OC)=C1	REAL250004577608	0	32	-1.0	-46.47	280.97	3.59	-42.88
COC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC(OC)=C1	REAL250004577608	1	32	-1.0	-46.50	280.87	3.60	-42.90
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NC1=N[N-]N=N1	REAL250004577609	0	31	-1.0	-46.23	285.08	1.25	-44.98
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CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004577610	0	40	-1.0	-44.90	316.31	4.67	-40.23
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004577610	1	40	-1.0	-44.97	316.21	4.69	-40.28
CCC1=C(C=CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004577611	0	33	-1.0	-45.11	295.57	7.09	-38.02
CCC1=C(C=CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004577611	1	33	-1.0	-45.25	295.46	7.09	-38.16
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004577612	0	33	-1.0	-47.25	292.28	6.48	-40.77
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004577612	1	33	-1.0	-47.16	292.38	6.46	-40.70
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O=C(NC1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)C=C1	REAL250004577613	1	24	-1.0	-42.60	243.73	5.26	-37.34
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004577614	0	29	-1.0	-45.84	270.50	5.17	-40.67
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004577614	1	29	-1.0	-45.79	270.62	5.18	-40.61
COC1=CC(CCC(=O)NC2=N[N-]N=N2)=CC(OC)=C1	REAL250004577615	0	34	-1.0	-46.10	292.55	3.89	-42.21
COC1=CC(CCC(=O)NC2=NN=N[N-]2)=CC(OC)=C1	REAL250004577615	1	34	-1.0	-46.14	292.45	3.90	-42.24
CC(=O)C1=C(C)OC(CCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577616	0	31	-1.0	-45.41	278.26	4.81	-40.60
CC(=O)C1=C(C)OC(CCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577616	1	31	-1.0	-45.50	278.17	4.83	-40.67
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C2C1	REAL250004577617	0	28	-1.0	-41.03	258.89	4.82	-36.21
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CC1=NN(CC(C)C)C(C)=C1CCC(=O)NC1=N[N-]N=N1	REAL250004577618	0	41	-1.0	-45.92	330.48	5.99	-39.93
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NC1=NN=N[N-]1	REAL250004577618	1	41	-1.0	-45.97	330.39	6.01	-39.96
CC1=CC(=O)C(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004577619	0	32	-1.0	-58.31	283.81	6.43	-51.88
CC1=CC(=O)C(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004577619	1	32	-1.0	-58.27	283.91	6.43	-51.84
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O=C(CCC1=NC(C2=CSC=C2)=NO1)NC1=N[N-]N=N1	REAL250004577620	1	28	-1.0	-44.53	274.65	2.80	-41.73
CCOC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577621	0	31	-1.0	-48.84	276.46	2.96	-45.88
CCOC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577621	1	31	-1.0	-48.95	276.36	2.96	-45.99
CCS(=O)(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004577622	0	34	-1.0	-47.59	289.61	1.35	-46.24
CCS(=O)(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004577622	1	34	-1.0	-47.67	289.52	1.37	-46.30
O=C(CC1=CSC(N2CCCC2=O)=N1)NC1=N[N-]N=N1	REAL250004577623	0	30	-1.0	-59.19	280.18	3.91	-55.28
O=C(CC1=CSC(N2CCCC2=O)=N1)NC1=NN=N[N-]1	REAL250004577623	1	30	-1.0	-59.25	280.09	3.93	-55.32
CC1=CC2=CC=CC=C2N1CC(=O)NC1=NN=N[N-]1	REAL250004577624	0	30	-1.0	-48.26	264.29	6.40	-41.86
CC1=CC2=CC=CC=C2N1CC(=O)NC1=N[N-]N=N1	REAL250004577624	1	30	-1.0	-48.20	264.39	6.39	-41.81
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL250004577625	0	23	-1.0	-46.34	246.29	3.64	-42.70
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CS2)=N1	REAL250004577625	1	23	-1.0	-46.29	246.39	3.63	-42.66
CCN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004577626	0	30	-1.0	-52.98	264.05	6.41	-46.57
CCN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004577626	1	30	-1.0	-52.92	264.15	6.40	-46.52
CS(=O)(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004577627	0	28	-1.0	-63.88	252.22	0.27	-63.61
CS(=O)(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004577627	1	28	-1.0	-64.01	252.13	0.27	-63.74
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004577628	0	31	-1.0	-38.82	280.52	5.12	-33.70
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004577628	1	31	-1.0	-38.71	280.61	5.11	-33.60
O=C(NC1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL250004577629	0	30	-1.0	-46.02	273.86	5.44	-40.58
O=C(NC1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=C1	REAL250004577629	1	30	-1.0	-45.93	273.96	5.43	-40.50
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL250004577630	0	27	-1.0	-45.61	248.38	4.97	-40.64
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL250004577630	1	27	-1.0	-45.55	248.48	4.95	-40.60
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL250004577631	0	26	-1.0	-44.95	261.07	4.69	-40.26
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL250004577631	1	26	-1.0	-44.88	261.17	4.68	-40.20
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1CCCC1=O	REAL250004577632	0	31	-1.0	-53.36	267.53	5.84	-47.52
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1CCCC1=O	REAL250004577632	1	31	-1.0	-53.32	267.63	5.83	-47.49
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=N[N-]N=N1	REAL250004577633	0	35	-1.0	-53.19	294.59	7.58	-45.61
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=NN=N[N-]1	REAL250004577633	1	35	-1.0	-53.24	294.50	7.59	-45.65
O=C(CN1C2=CC=CC=C2OCCC1=O)NC1=N[N-]N=N1	REAL250004577634	0	32	-1.0	-55.55	277.84	3.95	-51.60
O=C(CN1C2=CC=CC=C2OCCC1=O)NC1=NN=N[N-]1	REAL250004577634	1	32	-1.0	-55.62	277.75	3.96	-51.66
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=C1C(=O)N(C)C=N2	REAL250004577635	0	28	-1.0	-52.76	259.81	4.32	-48.44
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=C1C(=O)N(C)C=N2	REAL250004577635	1	28	-1.0	-52.69	259.91	4.31	-48.38
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1Br	REAL250004577636	0	20	-1.0	-42.65	210.08	4.49	-38.16
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1Br	REAL250004577636	1	20	-1.0	-42.59	210.18	4.48	-38.11
CC(C)CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577637	0	35	-1.0	-44.54	293.34	7.15	-37.39
CC(C)CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577637	1	35	-1.0	-44.64	293.25	7.17	-37.47
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004577638	0	36	-1.0	-52.18	308.46	6.56	-45.62
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004577638	1	36	-1.0	-52.26	308.37	6.58	-45.68
CC1=CC=NN1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577639	0	30	-1.0	-46.94	264.62	5.41	-41.53
CC1=CC=NN1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577639	1	30	-1.0	-46.89	264.72	5.40	-41.49
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=NN=N[N-]1	REAL250004577640	0	26	-1.0	-51.05	266.75	4.38	-46.67
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=N[N-]N=N1	REAL250004577640	1	26	-1.0	-51.00	266.84	4.37	-46.63
CN(C)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577641	0	34	-1.0	-44.83	286.06	5.70	-39.13
CN(C)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577641	1	34	-1.0	-44.91	285.97	5.72	-39.19
CC1=C(C(=O)NC2=NN=N[N-]2)C2=C(N=CN(C)C2=O)O1	REAL250004577642	0	28	-1.0	-60.97	261.11	2.16	-58.81
CC1=C(C(=O)NC2=N[N-]N=N2)C2=C(N=CN(C)C2=O)O1	REAL250004577642	1	28	-1.0	-60.92	261.21	2.14	-58.78
CN1C(=O)C=CN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004577643	0	26	-1.0	-53.45	240.16	2.50	-50.95
CN1C(=O)C=CN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004577643	1	26	-1.0	-53.54	240.06	2.51	-51.03
CN1C=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004577644	0	21	-1.0	-42.20	214.28	3.86	-38.34
CN1C=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004577644	1	21	-1.0	-42.15	214.38	3.85	-38.30
CC1=NC(C)=C(CCC(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004577645	0	31	-1.0	-52.43	271.08	2.45	-49.98
CC1=NC(C)=C(CCC(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004577645	1	31	-1.0	-52.49	270.99	2.47	-50.02
CC1CC1C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)O1	REAL250004577646	0	31	-1.0	-46.51	277.52	6.17	-40.34
CC1CC1C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)O1	REAL250004577646	1	31	-1.0	-46.57	277.42	6.17	-40.40
CC1=CC=CC2=C1N=CN(CC(=O)NC1=N[N-]N=N1)C2=O	REAL250004577647	0	31	-1.0	-54.43	277.96	5.82	-48.61
CC1=CC=CC2=C1N=CN(CC(=O)NC1=NN=N[N-]1)C2=O	REAL250004577647	1	31	-1.0	-54.51	277.87	5.83	-48.68
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL250004577648	0	31	-1.0	-43.87	282.41	6.74	-37.13
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL250004577648	1	31	-1.0	-43.79	282.51	6.73	-37.06
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577649	0	32	-1.0	-44.74	275.45	6.31	-38.43
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577649	1	32	-1.0	-44.68	275.56	6.31	-38.37
O=C(NC1=NN=N[N-]1)C1CCN(C2=NC=CS2)CC1	REAL250004577650	0	31	-1.0	-45.75	270.18	3.09	-42.66
O=C(NC1=N[N-]N=N1)C1CCN(C2=NC=CS2)CC1	REAL250004577650	1	31	-1.0	-45.66	270.27	3.07	-42.59
O=C(CCN1N=NC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004577651	0	30	-1.0	-49.28	275.06	2.62	-46.66
O=C(CCN1N=NC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004577651	1	30	-1.0	-49.35	274.96	2.63	-46.72
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=C1	REAL250004577652	0	26	-1.0	-42.34	246.04	4.82	-37.52
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=C1	REAL250004577652	1	26	-1.0	-42.23	246.14	4.82	-37.41
CC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL250004577653	0	29	-1.0	-49.45	269.14	5.39	-44.06
CC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL250004577653	1	29	-1.0	-49.53	269.04	5.39	-44.14
CC(=O)N1CCC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004577654	0	31	-1.0	-51.10	266.33	4.85	-46.25
CC(=O)N1CCC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004577654	1	31	-1.0	-51.06	266.43	4.85	-46.21
O=C(CN1N=NC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004577655	0	27	-1.0	-54.33	254.03	2.10	-52.23
O=C(CN1N=NC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004577655	1	27	-1.0	-54.41	253.93	2.11	-52.30
CC1=CC=C(C2=NN(CC(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004577656	0	31	-1.0	-51.43	285.23	4.16	-47.27
CC1=CC=C(C2=NN(CC(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004577656	1	31	-1.0	-51.48	285.14	4.17	-47.31
O=C(CCC1=NC(C2=CC=CS2)=NO1)NC1=NN=N[N-]1	REAL250004577657	0	28	-1.0	-44.99	275.25	2.93	-42.06
O=C(CCC1=NC(C2=CC=CS2)=NO1)NC1=N[N-]N=N1	REAL250004577657	1	28	-1.0	-44.92	275.35	2.91	-42.01
COC1=CC=C(Cl)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004577658	0	27	-1.0	-45.80	257.19	4.34	-41.46
COC1=CC=C(Cl)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004577658	1	27	-1.0	-45.83	257.09	4.36	-41.47
NC(=O)COC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577659	0	28	-1.0	-66.32	253.32	2.13	-64.19
NC(=O)COC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577659	1	28	-1.0	-66.26	253.42	2.13	-64.13
CCCS(=O)(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004577660	0	34	-1.0	-63.73	295.22	1.93	-61.80
CCCS(=O)(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004577660	1	34	-1.0	-63.78	295.13	1.95	-61.83
CC1=CC=C(C)C(SCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577661	0	30	-1.0	-44.69	270.57	6.19	-38.50
CC1=CC=C(C)C(SCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577661	1	30	-1.0	-44.72	270.48	6.19	-38.53
O=C(CSC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004577662	0	30	-1.0	-46.35	276.75	7.22	-39.13
O=C(CSC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004577662	1	30	-1.0	-46.44	276.66	7.22	-39.22
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1F	REAL250004577663	0	20	-1.0	-45.09	213.24	4.51	-40.58
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CC(=O)C1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)C=C1	REAL250004577678	1	32	-1.0	-49.69	292.19	5.94	-43.75
COC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577679	0	30	-1.0	-46.84	276.78	5.66	-41.18
COC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577679	1	30	-1.0	-46.91	276.68	5.67	-41.24
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O=C(NC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL250004577684	1	20	-1.0	-46.18	203.78	4.41	-41.77
CCNC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004577685	0	30	-1.0	-48.83	266.59	4.29	-44.54
CCNC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004577685	1	30	-1.0	-48.71	266.69	4.29	-44.42
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004577686	0	32	-1.0	-49.31	279.13	3.65	-45.66
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004577686	1	32	-1.0	-49.37	279.03	3.65	-45.72
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C=CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1OC	REAL250004577688	1	35	-1.0	-43.32	302.12	5.07	-38.25
CC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL250004577689	0	33	-1.0	-41.95	268.54	2.72	-39.23
CC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL250004577689	1	33	-1.0	-42.03	268.45	2.73	-39.30
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL250004577690	0	32	-1.0	-44.75	273.89	3.72	-41.03
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL250004577690	1	32	-1.0	-44.66	273.99	3.71	-40.95
COC1=CC=C(SCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577691	0	31	-1.0	-43.85	281.81	5.03	-38.82
COC1=CC=C(SCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577691	1	31	-1.0	-43.92	281.72	5.05	-38.87
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O=C(CC1=CC(F)=CC2=C1OCOC2)NC1=NN=N[N-]1	REAL250004577694	1	29	-1.0	-49.10	261.77	3.68	-45.42
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004577695	0	31	-1.0	-49.93	278.73	5.45	-44.48
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004577695	1	31	-1.0	-49.89	278.82	5.44	-44.45
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=NN=N[N-]1)C2=O	REAL250004577696	0	34	-1.0	-49.95	298.90	6.28	-43.67
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=N[N-]N=N1)C2=O	REAL250004577696	1	34	-1.0	-49.84	298.99	6.27	-43.57
CC1=C(C(=O)NC2=NN=N[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL250004577697	0	34	-1.0	-43.75	290.73	5.18	-38.57
CC1=C(C(=O)NC2=N[N-]N=N2)C=C2C=NN(C(C)C)C2=N1	REAL250004577697	1	34	-1.0	-43.66	290.83	5.17	-38.49
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004577698	0	27	-1.0	-43.08	266.04	5.91	-37.17
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004577698	1	27	-1.0	-43.15	265.95	5.93	-37.22
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577699	0	26	-1.0	-44.41	250.89	5.47	-38.94
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577699	1	26	-1.0	-44.48	250.80	5.49	-38.99
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004577700	0	28	-1.0	-45.63	267.46	4.85	-40.78
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004577700	1	28	-1.0	-45.68	267.36	4.85	-40.83
COC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004577701	0	32	-1.0	-44.05	274.34	4.15	-39.90
COC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004577701	1	32	-1.0	-43.98	274.43	4.14	-39.84
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004577702	0	28	-1.0	-45.19	268.80	-0.10	-45.29
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004577702	1	28	-1.0	-45.10	268.90	-0.12	-45.22
O=C(CN1C=C(Br)C=CC1=O)NC1=N[N-]N=N1	REAL250004577703	0	23	-1.0	-50.23	237.61	3.68	-46.55
O=C(CN1C=C(Br)C=CC1=O)NC1=NN=N[N-]1	REAL250004577703	1	23	-1.0	-50.29	237.52	3.69	-46.60
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=N[N-]N=N1	REAL250004577704	0	30	-1.0	-48.72	279.79	2.03	-46.69
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=NN=N[N-]1	REAL250004577704	1	30	-1.0	-48.77	279.69	2.05	-46.72
O=C(CCC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004577705	0	26	-1.0	-43.33	250.27	5.79	-37.54
O=C(CCC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004577705	1	26	-1.0	-43.44	250.18	5.81	-37.63
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL250004577706	0	27	-1.0	-46.37	258.24	4.52	-41.85
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL250004577706	1	27	-1.0	-46.28	258.33	4.51	-41.77
COC1=CC=C2OCC(C(=O)NC3=N[N-]N=N3)CC2=C1	REAL250004577707	0	32	-1.0	-43.32	271.66	3.59	-39.73
COC1=CC=C2OCC(C(=O)NC3=NN=N[N-]3)CC2=C1	REAL250004577707	1	32	-1.0	-43.43	271.57	3.61	-39.82
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL250004577708	0	29	-1.0	-43.01	266.22	4.32	-38.69
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C2OCCCOC2=C1	REAL250004577708	1	29	-1.0	-42.93	266.32	4.30	-38.63
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004577709	0	30	-1.0	-45.59	264.96	5.41	-40.18
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004577709	1	30	-1.0	-45.54	265.06	5.41	-40.13
CS(=O)(=O)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004577710	0	29	-1.0	-58.80	272.44	1.98	-56.82
CS(=O)(=O)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004577710	1	29	-1.0	-58.74	272.53	1.97	-56.77
O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004577711	0	26	-1.0	-45.22	250.86	5.46	-39.76
O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004577711	1	26	-1.0	-45.26	250.77	5.48	-39.78
CCN1C(=O)N(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004577712	0	33	-1.0	-54.35	293.54	6.16	-48.19
CCN1C(=O)N(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004577712	1	33	-1.0	-54.37	293.45	6.17	-48.20
O=C(NC1=NN=N[N-]1)C1=CN=CN1C1=CC=C(F)C=C1	REAL250004577713	0	27	-1.0	-44.18	252.08	6.32	-37.86
O=C(NC1=N[N-]N=N1)C1=CN=CN1C1=CC=C(F)C=C1	REAL250004577713	1	27	-1.0	-44.08	252.18	6.32	-37.76
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C(F)C=CC=C12	REAL250004577714	0	26	-1.0	-45.45	242.82	4.94	-40.51
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C(F)C=CC=C12	REAL250004577714	1	26	-1.0	-45.38	242.92	4.93	-40.45
COC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1OC	REAL250004577715	0	34	-1.0	-46.54	292.60	4.53	-42.01
COC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1OC	REAL250004577715	1	34	-1.0	-46.62	292.50	4.54	-42.08
CC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004577716	0	29	-1.0	-43.41	269.01	6.38	-37.03
CC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004577716	1	29	-1.0	-43.49	268.91	6.40	-37.09
CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N=C1C	REAL250004577717	0	30	-1.0	-48.51	262.21	3.36	-45.15
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N=C1C	REAL250004577717	1	30	-1.0	-48.45	262.31	3.35	-45.10
O=C(CC1=COC(C2=CC=CC=C2)=N1)NC1=NN=N[N-]1	REAL250004577718	0	29	-1.0	-54.70	267.87	3.09	-51.61
O=C(CC1=COC(C2=CC=CC=C2)=N1)NC1=N[N-]N=N1	REAL250004577718	1	29	-1.0	-54.66	267.97	3.08	-51.58
O=C(CCC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004577719	0	28	-1.0	-46.23	265.21	4.70	-41.53
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CC(C)C1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577775	0	33	-1.0	-47.55	281.27	6.23	-41.32
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CC(C)C1CCC(C)CC1OCC(=O)NC1=N[N-]N=N1	REAL250004577777	0	42	-1.0	-47.54	322.22	6.89	-40.65
CC(C)C1CCC(C)CC1OCC(=O)NC1=NN=N[N-]1	REAL250004577777	1	42	-1.0	-47.59	322.12	6.90	-40.69
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL250004577778	0	28	-1.0	-48.76	261.98	5.15	-43.61
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL250004577778	1	28	-1.0	-48.84	261.88	5.17	-43.67
CN1C(=O)N(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004577779	0	30	-1.0	-54.36	271.65	5.22	-49.14
CN1C(=O)N(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004577779	1	30	-1.0	-54.32	271.74	5.21	-49.11
O=C(NC1=NN=N[N-]1)C1=CC=C(SC(F)F)C=C1	REAL250004577780	0	24	-1.0	-44.37	236.97	5.06	-39.31
O=C(NC1=N[N-]N=N1)C1=CC=C(SC(F)F)C=C1	REAL250004577780	1	24	-1.0	-44.30	237.15	5.06	-39.24
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NC1=N[N-]N=N1	REAL250004577781	0	26	-1.0	-50.21	255.07	4.04	-46.17
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NC1=NN=N[N-]1	REAL250004577781	1	26	-1.0	-50.27	254.97	4.05	-46.22
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)N=C1	REAL250004577782	0	26	-1.0	-42.00	255.94	1.92	-40.08
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)N=C1	REAL250004577782	1	26	-1.0	-41.93	256.04	1.92	-40.01
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004577783	0	30	-1.0	-45.13	272.61	4.31	-40.82
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004577783	1	30	-1.0	-45.21	272.51	4.33	-40.88
CC1=NN2C(=C1)N=CC(C(=O)NC1=NN=N[N-]1)=C2C	REAL250004577784	0	28	-1.0	-41.79	247.63	3.94	-37.85
CC1=NN2C(=C1)N=CC(C(=O)NC1=N[N-]N=N1)=C2C	REAL250004577784	1	28	-1.0	-41.71	247.73	3.93	-37.78
CCC(C)C1=CC=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004577785	0	36	-1.0	-47.96	298.13	6.94	-41.02
CCC(C)C1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004577785	1	36	-1.0	-47.96	298.03	6.95	-41.01
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004577786	0	33	-1.0	-54.55	293.24	3.60	-50.95
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004577786	1	33	-1.0	-54.62	293.15	3.61	-51.01
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004577787	0	30	-1.0	-50.43	270.98	5.67	-44.76
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004577787	1	30	-1.0	-50.53	270.88	5.69	-44.84
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004577788	0	32	-1.0	-51.51	289.32	3.65	-47.86
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004577788	1	32	-1.0	-51.40	289.41	3.63	-47.77
CC(C)(C)C1=CC=C(SCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577789	0	36	-1.0	-44.38	306.82	7.27	-37.11
CC(C)(C)C1=CC=C(SCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577789	1	36	-1.0	-44.45	306.73	7.27	-37.18
CC1=CC=C2CC(C(=O)NC3=N[N-]N=N3)SC2=C1	REAL250004577790	0	28	-1.0	-44.19	256.66	5.98	-38.21
CC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)SC2=C1	REAL250004577790	1	28	-1.0	-44.25	256.56	5.99	-38.26
CN1N=CC2=C1N=CN(CCC(=O)NC1=NN=N[N-]1)C2=O	REAL250004577791	0	31	-1.0	-51.73	281.97	4.17	-47.56
CN1N=CC2=C1N=CN(CCC(=O)NC1=N[N-]N=N1)C2=O	REAL250004577791	1	31	-1.0	-51.68	282.07	4.16	-47.52
CN(C1=CC=CC=C1C(=O)NC1=NN=N[N-]1)S(C)(=O)=O	REAL250004577792	0	31	-1.0	-65.14	278.98	2.88	-62.26
CN(C1=CC=CC=C1C(=O)NC1=N[N-]N=N1)S(C)(=O)=O	REAL250004577792	1	31	-1.0	-65.04	279.08	2.87	-62.17
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=NN=N[N-]1	REAL250004577793	0	29	-1.0	-53.74	262.75	5.52	-48.22
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=N[N-]N=N1	REAL250004577793	1	29	-1.0	-53.73	262.85	5.52	-48.21
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004577794	0	35	-1.0	-42.47	297.97	5.40	-37.07
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004577794	1	35	-1.0	-42.41	298.06	5.38	-37.03
CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004577795	0	31	-1.0	-43.77	269.87	3.97	-39.80
CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004577795	1	31	-1.0	-43.73	269.97	3.96	-39.77
O=C(CCN1C=NC2=C(C=CS2)C1=O)NC1=NN=N[N-]1	REAL250004577796	0	28	-1.0	-50.42	269.28	4.54	-45.88
O=C(CCN1C=NC2=C(C=CS2)C1=O)NC1=N[N-]N=N1	REAL250004577796	1	28	-1.0	-50.30	269.37	4.52	-45.78
CC1=NN(C)C2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004577797	0	28	-1.0	-43.82	253.85	3.54	-40.28
CC1=NN(C)C2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004577797	1	28	-1.0	-43.70	253.95	3.53	-40.17
CS(=O)(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004577798	0	31	-1.0	-49.96	257.92	1.20	-48.76
CS(=O)(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004577798	1	31	-1.0	-50.04	257.83	1.20	-48.84
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1C=CC=N1	REAL250004577799	0	26	-1.0	-53.92	240.57	4.60	-49.32
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1N1C=CC=N1	REAL250004577799	1	26	-1.0	-53.80	240.68	4.59	-49.21
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=N[N-]N=N1	REAL250004577800	0	28	-1.0	-45.79	275.20	0.14	-45.65
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=NN=N[N-]1	REAL250004577800	1	28	-1.0	-45.84	275.11	0.15	-45.69
O=C(CN1N=C2C=CC=CN2C1=O)NC1=N[N-]N=N1	REAL250004577801	0	26	-1.0	-57.47	245.85	4.19	-53.28
O=C(CN1N=C2C=CC=CN2C1=O)NC1=NN=N[N-]1	REAL250004577801	1	26	-1.0	-57.53	245.76	4.20	-53.33
CC1=C2C(=CC=C1)SC(C(=O)NC1=NN=N[N-]1)=C2Cl	REAL250004577802	0	26	-1.0	-45.26	253.71	6.16	-39.10
CC1=C2C(=CC=C1)SC(C(=O)NC1=N[N-]N=N1)=C2Cl	REAL250004577802	1	26	-1.0	-45.22	253.81	6.15	-39.07
CC1=CC=CC=C1OCCCC(=O)NC1=N[N-]N=N1	REAL250004577803	0	33	-1.0	-47.74	283.59	5.62	-42.12
CC1=CC=CC=C1OCCCC(=O)NC1=NN=N[N-]1	REAL250004577803	1	33	-1.0	-47.82	283.49	5.64	-42.18
O=C(CCCOC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004577804	0	30	-1.0	-47.37	269.93	4.93	-42.44
O=C(CCCOC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004577804	1	30	-1.0	-47.41	269.83	4.95	-42.46
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1=N[N-]N=N1	REAL250004577805	0	38	-1.0	-44.07	277.82	3.04	-41.03
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1=NN=N[N-]1	REAL250004577805	1	38	-1.0	-44.13	277.72	3.05	-41.08
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL250004577806	0	33	-1.0	-45.14	289.09	5.24	-39.90
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL250004577806	1	33	-1.0	-45.05	289.19	5.22	-39.83
CC(OC1=CC=CC(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004577807	0	27	-1.0	-45.24	244.12	5.00	-40.24
CC(OC1=CC=CC(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004577807	1	27	-1.0	-45.29	244.02	5.02	-40.27
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577808	0	25	-1.0	-40.42	238.53	3.69	-36.73
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577808	1	25	-1.0	-40.51	238.43	3.68	-36.83
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004577809	0	28	-1.0	-42.58	261.65	5.36	-37.22
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004577809	1	28	-1.0	-42.51	261.75	5.35	-37.16
O=C(NC1=NN=N[N-]1)C1=C2C=CC=CC2=CC2=CC=CC=C21	REAL250004577810	0	32	-1.0	-55.15	280.89	7.92	-47.23
O=C(NC1=N[N-]N=N1)C1=C2C=CC=CC2=CC2=CC=CC=C21	REAL250004577810	1	32	-1.0	-55.11	280.99	7.91	-47.20
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL250004577811	0	33	-1.0	-45.59	284.76	6.04	-39.55
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL250004577811	1	33	-1.0	-45.51	284.86	6.02	-39.49
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004577812	0	29	-1.0	-48.12	259.40	5.19	-42.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004577812	1	29	-1.0	-48.04	259.50	5.17	-42.87
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004577813	0	33	-1.0	-45.24	286.37	6.09	-39.15
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004577813	1	33	-1.0	-45.23	286.47	6.08	-39.15
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1SC(F)(F)F	REAL250004577814	0	24	-1.0	-44.41	239.31	5.25	-39.16
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1SC(F)(F)F	REAL250004577814	1	24	-1.0	-44.34	239.41	5.24	-39.10
O=C(CCC1=NC(C2=CC=CO2)=NO1)NC1=NN=N[N-]1	REAL250004577815	0	28	-1.0	-46.74	265.83	1.95	-44.79
O=C(CCC1=NC(C2=CC=CO2)=NO1)NC1=N[N-]N=N1	REAL250004577815	1	28	-1.0	-46.67	265.92	1.93	-44.74
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004577816	0	26	-1.0	-44.42	244.70	3.50	-40.92
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004577816	1	26	-1.0	-44.31	244.80	3.49	-40.82
COCCN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004577817	0	31	-1.0	-46.43	269.39	1.48	-44.95
COCCN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004577817	1	31	-1.0	-46.50	269.30	1.50	-45.00
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL250004577818	0	26	-1.0	-45.17	254.37	3.48	-41.69
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL250004577818	1	26	-1.0	-45.09	254.47	3.47	-41.62
CC(C)C(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004577819	0	36	-1.0	-48.57	287.40	4.10	-44.47
CC(C)C(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004577819	1	36	-1.0	-48.67	287.31	4.12	-44.55
CC1=CC=CC(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=C1	REAL250004577820	0	33	-1.0	-47.46	283.56	8.06	-39.40
CC1=CC=CC(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=C1	REAL250004577820	1	33	-1.0	-47.40	283.64	8.04	-39.36
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=N[N-]N=N1	REAL250004577821	0	26	-1.0	-57.21	254.11	4.09	-53.12
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=NN=N[N-]1	REAL250004577821	1	26	-1.0	-57.27	254.02	4.10	-53.17
O=C(CN1N=C2CCCCCN2C1=O)NC1=N[N-]N=N1	REAL250004577822	0	33	-1.0	-57.90	279.64	4.55	-53.35
O=C(CN1N=C2CCCCCN2C1=O)NC1=NN=N[N-]1	REAL250004577822	1	33	-1.0	-57.95	279.55	4.56	-53.39
CN1N=CC2=C1N=C(CCC(=O)NC1=N[N-]N=N1)NC2=O	REAL250004577823	0	31	-1.0	-47.42	281.35	2.49	-44.93
CN1N=CC2=C1N=C(CCC(=O)NC1=NN=N[N-]1)NC2=O	REAL250004577823	1	31	-1.0	-47.49	281.26	2.51	-44.98
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL250004577824	0	23	-1.0	-48.44	237.21	2.65	-45.79
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CO2)=N1	REAL250004577824	1	23	-1.0	-48.37	237.31	2.64	-45.73
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004577825	0	34	-1.0	-42.81	306.24	4.50	-38.31
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004577825	1	34	-1.0	-42.89	306.15	4.52	-38.37
CC(OC1=CC=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004577826	0	27	-1.0	-51.76	243.92	5.00	-46.76
CC(OC1=CC=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004577826	1	27	-1.0	-51.84	243.83	5.02	-46.82
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004577827	0	24	-1.0	-44.89	243.65	4.89	-40.00
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004577827	1	24	-1.0	-44.95	243.56	4.90	-40.05
CNC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577828	0	31	-1.0	-50.45	278.44	3.28	-47.17
CNC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577828	1	31	-1.0	-50.51	278.34	3.29	-47.22
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004577829	0	36	-1.0	-44.05	295.74	6.59	-37.46
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004577829	1	36	-1.0	-43.93	295.84	6.57	-37.36
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL250004577830	0	34	-1.0	-45.69	293.89	6.82	-38.87
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL250004577830	1	34	-1.0	-45.63	293.99	6.81	-38.82
CC1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004577831	0	33	-1.0	-44.07	280.41	5.32	-38.75
CC1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004577831	1	33	-1.0	-44.08	280.32	5.33	-38.75
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=N[N-]N=N1	REAL250004577832	0	35	-1.0	-49.58	310.03	4.99	-44.59
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=NN=N[N-]1	REAL250004577832	1	35	-1.0	-49.65	309.93	5.00	-44.65
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577833	0	30	-1.0	-46.18	272.80	4.86	-41.32
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577833	1	30	-1.0	-46.19	272.71	4.88	-41.31
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CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004577871	0	32	-1.0	-44.59	282.78	5.75	-38.84
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CC(C)(C)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004577880	0	33	-1.0	-50.41	268.33	3.52	-46.89
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CN(CC(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=CC=C1	REAL250004577890	0	31	-1.0	-56.03	286.83	2.20	-53.83
CN(CC(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL250004577890	1	31	-1.0	-56.07	286.74	2.21	-53.86
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CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577893	0	32	-1.0	-51.30	278.24	4.00	-47.30
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577893	1	32	-1.0	-51.20	278.33	3.99	-47.21
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=NN=N[N-]3)S2)O1	REAL250004577894	0	29	-1.0	-44.49	276.13	4.25	-40.24
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=N[N-]N=N3)S2)O1	REAL250004577894	1	29	-1.0	-44.39	276.24	4.24	-40.15
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CC(C)(C)C1=NOC(CCCC(=O)NC2=N[N-]N=N2)=N1	REAL250004577896	0	36	-1.0	-50.90	308.34	3.26	-47.64
CC(C)(C)C1=NOC(CCCC(=O)NC2=NN=N[N-]2)=N1	REAL250004577896	1	36	-1.0	-50.96	308.24	3.28	-47.68
CN(CC(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL250004577897	0	30	-1.0	-56.66	282.34	0.38	-56.28
CN(CC(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=CN=C1	REAL250004577897	1	30	-1.0	-56.62	282.43	0.37	-56.25
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O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1	REAL250004577898	1	27	-1.0	-48.45	248.88	4.96	-43.49
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CC1=CC=C(C2=NC(C(=O)NC3=NN=N[N-]3)=CS2)O1	REAL250004577902	0	26	-1.0	-48.86	259.12	3.48	-45.38
CC1=CC=C(C2=NC(C(=O)NC3=N[N-]N=N3)=CS2)O1	REAL250004577902	1	26	-1.0	-48.79	259.22	3.47	-45.32
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004577903	0	29	-1.0	-48.68	253.84	4.30	-44.38
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004577903	1	29	-1.0	-48.74	253.74	4.31	-44.43
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577904	0	32	-1.0	-51.70	276.30	3.91	-47.79
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577904	1	32	-1.0	-51.63	276.40	3.89	-47.74
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O=C(NC1=NN=N[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL250004577905	1	29	-1.0	-46.88	277.98	5.30	-41.58
CCC(CC)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004577906	0	36	-1.0	-49.47	289.53	5.13	-44.34
CCC(CC)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004577906	1	36	-1.0	-49.55	289.44	5.14	-44.41
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O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004577908	0	30	-1.0	-48.89	266.03	7.28	-41.61
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004577908	1	30	-1.0	-48.81	266.13	7.28	-41.53
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O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1CCCCC1	REAL250004577909	1	34	-1.0	-47.83	279.72	5.39	-42.44
O=C(COCCOC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004577910	0	31	-1.0	-52.32	276.54	4.57	-47.75
O=C(COCCOC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004577910	1	31	-1.0	-52.38	276.45	4.58	-47.80
COC1=CC=CC(COCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577911	0	31	-1.0	-50.57	276.13	4.12	-46.45
COC1=CC=CC(COCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577911	1	31	-1.0	-50.63	276.04	4.13	-46.50
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004577912	0	23	-1.0	-44.51	221.42	2.36	-42.15
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004577912	1	23	-1.0	-44.40	221.53	2.34	-42.06
CC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004577913	0	29	-1.0	-43.92	266.10	4.19	-39.73
CC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004577913	1	29	-1.0	-43.87	266.20	4.17	-39.70
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004577914	0	36	-1.0	-45.83	309.19	6.53	-39.30
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004577914	1	36	-1.0	-45.89	309.09	6.53	-39.36
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O=C(C=CC1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL250004577915	1	24	-1.0	-47.35	235.66	5.16	-42.19
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(Br)=C1	REAL250004577916	0	20	-1.0	-40.16	215.11	4.49	-35.67
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O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=N1	REAL250004577917	0	27	-1.0	-56.67	243.65	5.28	-51.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=N1	REAL250004577917	1	27	-1.0	-56.63	243.75	5.26	-51.37
O=C(CCOC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004577918	0	27	-1.0	-42.18	258.75	4.62	-37.56
O=C(CCOC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004577918	1	27	-1.0	-42.24	258.65	4.64	-37.60
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL250004577919	0	26	-1.0	-43.69	254.19	4.72	-38.97
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)S1	REAL250004577919	1	26	-1.0	-43.64	254.30	4.71	-38.93
O=C(CCCN1C(=O)CCC1=O)NC1=N[N-]N=N1	REAL250004577920	0	29	-1.0	-53.47	260.38	2.73	-50.74
O=C(CCCN1C(=O)CCC1=O)NC1=NN=N[N-]1	REAL250004577920	1	29	-1.0	-53.58	260.29	2.75	-50.83
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004577921	0	27	-1.0	-44.03	264.60	4.67	-39.36
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004577921	1	27	-1.0	-44.13	264.51	4.69	-39.44
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004577922	0	26	-1.0	-43.48	256.55	2.05	-41.43
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004577922	1	26	-1.0	-43.43	256.65	2.02	-41.41
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=N[N-]N=N1	REAL250004577923	0	28	-1.0	-52.43	268.87	4.74	-47.69
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=NN=N[N-]1	REAL250004577923	1	28	-1.0	-52.57	268.78	4.75	-47.82
O=C(NC1=NN=N[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL250004577924	0	33	-1.0	-48.02	275.77	4.60	-43.42
O=C(NC1=N[N-]N=N1)C1CCN(C2=NC=CC=N2)CC1	REAL250004577924	1	33	-1.0	-47.98	275.87	4.58	-43.40
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL250004577925	0	31	-1.0	-56.26	270.12	6.78	-49.48
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL250004577925	1	31	-1.0	-56.19	270.22	6.77	-49.42
CCC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004577926	0	30	-1.0	-46.06	276.55	6.12	-39.94
CCC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004577926	1	30	-1.0	-46.13	276.45	6.13	-40.00
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=N[N-]N=N1	REAL250004577927	0	34	-1.0	-46.93	283.99	6.80	-40.13
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=NN=N[N-]1	REAL250004577927	1	34	-1.0	-47.01	283.89	6.82	-40.19
COC1=CC=CC(COC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004577928	0	34	-1.0	-49.55	295.11	4.86	-44.69
COC1=CC=CC(COC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004577928	1	34	-1.0	-49.57	295.02	4.88	-44.69
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=N[N-]N=N1	REAL250004577929	0	34	-1.0	-54.11	306.58	2.02	-52.09
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=NN=N[N-]1	REAL250004577929	1	34	-1.0	-54.17	306.49	2.04	-52.13
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)C)=N1	REAL250004577930	0	28	-1.0	-41.96	254.78	3.60	-38.36
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)C)=N1	REAL250004577930	1	28	-1.0	-42.02	254.68	3.61	-38.41
CCCC1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004577931	0	28	-1.0	-41.92	256.60	3.81	-38.11
CCCC1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004577931	1	28	-1.0	-42.01	256.50	3.82	-38.19
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004577932	0	30	-1.0	-63.75	259.85	2.55	-61.20
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004577932	1	30	-1.0	-63.64	259.95	2.53	-61.11
CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL250004577933	0	32	-1.0	-50.09	277.36	5.25	-44.84
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL250004577933	1	32	-1.0	-50.04	277.46	5.25	-44.79
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL250004577934	0	33	-1.0	-49.66	283.72	7.42	-42.24
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL250004577934	1	33	-1.0	-49.75	283.63	7.44	-42.31
NC(=O)COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004577935	0	28	-1.0	-59.59	255.47	1.22	-58.37
NC(=O)COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004577935	1	28	-1.0	-59.54	255.57	1.20	-58.34
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL250004577936	0	33	-1.0	-53.49	291.38	6.51	-46.98
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL250004577936	1	33	-1.0	-53.37	291.48	6.50	-46.87
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL250004577937	0	28	-1.0	-47.66	256.44	4.97	-42.69
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL250004577937	1	28	-1.0	-47.57	256.54	4.95	-42.62
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577938	0	27	-1.0	-44.49	258.14	4.26	-40.23
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577938	1	27	-1.0	-44.55	258.05	4.28	-40.27
CC(C)CS(=O)(=O)CCC(=O)NC1=N[N-]N=N1	REAL250004577939	0	31	-1.0	-47.67	273.98	1.52	-46.15
CC(C)CS(=O)(=O)CCC(=O)NC1=NN=N[N-]1	REAL250004577939	1	31	-1.0	-47.76	273.89	1.53	-46.23
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004577940	0	34	-1.0	-43.73	295.74	6.22	-37.51
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004577940	1	34	-1.0	-43.68	295.84	6.22	-37.46
N#CC1=CC=C(CSCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577941	0	28	-1.0	-48.56	277.43	6.25	-42.31
N#CC1=CC=C(CSCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577941	1	28	-1.0	-48.68	277.34	6.25	-42.43
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004577942	0	28	-1.0	-50.87	255.79	3.32	-47.55
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004577942	1	28	-1.0	-50.75	255.88	3.31	-47.44
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004577943	0	29	-1.0	-64.40	256.15	3.89	-60.51
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004577943	1	29	-1.0	-64.31	256.24	3.86	-60.45
CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL250004577944	0	30	-1.0	-48.34	267.62	5.61	-42.73
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL250004577944	1	30	-1.0	-48.25	267.72	5.60	-42.65
CC1=NN(C2=CC=C(CC(=O)NC3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004577945	0	36	-1.0	-49.44	311.24	6.66	-42.78
CC1=NN(C2=CC=C(CC(=O)NC3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004577945	1	36	-1.0	-49.46	311.14	6.68	-42.78
CCOC1=CC=CC2=C1OCC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004577946	0	33	-1.0	-46.87	284.49	5.07	-41.80
CCOC1=CC=CC2=C1OCC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004577946	1	33	-1.0	-46.92	284.38	5.07	-41.85
O=C(NC1=NN=N[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004577947	0	25	-1.0	-41.08	246.74	4.88	-36.20
O=C(NC1=N[N-]N=N1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004577947	1	25	-1.0	-41.03	246.84	4.87	-36.16
CCC(OC1=CC=CC=C1C)C(=O)NC1=N[N-]N=N1	REAL250004577948	0	33	-1.0	-46.71	273.55	6.22	-40.49
CCC(OC1=CC=CC=C1C)C(=O)NC1=NN=N[N-]1	REAL250004577948	1	33	-1.0	-46.78	273.46	6.22	-40.56
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=NN=N[N-]1	REAL250004577949	0	30	-1.0	-49.85	270.41	5.69	-44.16
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=N[N-]N=N1	REAL250004577949	1	30	-1.0	-49.76	270.51	5.67	-44.09
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004577950	0	36	-1.0	-49.79	308.55	7.19	-42.60
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004577950	1	36	-1.0	-49.86	308.46	7.21	-42.65
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=N[N-]N=N1	REAL250004577951	0	31	-1.0	-49.46	274.86	5.24	-44.22
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=NN=N[N-]1	REAL250004577951	1	31	-1.0	-49.57	274.77	5.25	-44.32
O=C(CCS(=O)(=O)C1CCCC1)NC1=N[N-]N=N1	REAL250004577952	0	32	-1.0	-47.06	280.59	1.96	-45.10
O=C(CCS(=O)(=O)C1CCCC1)NC1=NN=N[N-]1	REAL250004577952	1	32	-1.0	-47.19	280.49	1.98	-45.21
CC(C)C1=CC=C(SCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577953	0	33	-1.0	-44.43	290.86	6.87	-37.56
CC(C)C1=CC=C(SCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577953	1	33	-1.0	-44.48	290.76	6.87	-37.61
O=C(NC1=NN=N[N-]1)C1=C(Br)C=CS1	REAL250004577954	0	17	-1.0	-44.26	197.20	3.44	-40.82
O=C(NC1=N[N-]N=N1)C1=C(Br)C=CS1	REAL250004577954	1	17	-1.0	-44.21	197.30	3.42	-40.79
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004577955	0	35	-1.0	-48.42	294.83	8.29	-40.13
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004577955	1	35	-1.0	-48.33	294.92	8.27	-40.06
CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577956	0	32	-1.0	-48.35	286.88	2.83	-45.52
CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577956	1	32	-1.0	-48.28	286.98	2.81	-45.47
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)C=C1	REAL250004577957	0	23	-1.0	-37.40	238.49	5.08	-32.32
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL250004577957	1	23	-1.0	-37.44	238.39	5.10	-32.34
O=C(NC1=NN=N[N-]1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL250004577958	0	34	-1.0	-48.01	298.22	7.95	-40.06
O=C(NC1=N[N-]N=N1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL250004577958	1	34	-1.0	-47.96	298.32	7.94	-40.02
O=C(CN1CCCCCCC1=O)NC1=N[N-]N=N1	REAL250004577959	0	33	-1.0	-48.74	257.54	4.14	-44.60
O=C(CN1CCCCCCC1=O)NC1=NN=N[N-]1	REAL250004577959	1	33	-1.0	-48.80	257.44	4.16	-44.64
CN1C(=O)C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004577960	0	29	-1.0	-45.33	250.21	4.60	-40.73
CN1C(=O)C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004577960	1	29	-1.0	-45.25	250.30	4.58	-40.67
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004577961	0	29	-1.0	-54.78	265.81	4.30	-50.48
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004577961	1	29	-1.0	-54.83	265.72	4.31	-50.52
CCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004577962	0	40	-1.0	-43.80	324.12	7.73	-36.07
CCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004577962	1	40	-1.0	-43.85	324.03	7.74	-36.11
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCCC2)=C1	REAL250004577963	0	39	-1.0	-47.81	301.49	7.72	-40.09
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCCC2)=C1	REAL250004577963	1	39	-1.0	-47.83	301.39	7.74	-40.09
C=CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004577964	0	28	-1.0	-51.84	255.81	3.24	-48.60
C=CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004577964	1	28	-1.0	-49.57	255.89	3.24	-46.33
O=C(NC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL250004577965	0	34	-1.0	-40.31	299.94	4.90	-35.41
O=C(NC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL250004577965	1	34	-1.0	-40.44	299.83	4.91	-35.53
O=C(NC1=NN=N[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL250004577966	0	30	-1.0	-41.67	271.75	4.26	-37.41
O=C(NC1=N[N-]N=N1)C1=NC(N2CCCC2)=NC=C1Cl	REAL250004577966	1	30	-1.0	-41.60	271.84	4.26	-37.34
O=C(CCCC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004577967	0	29	-1.0	-45.96	271.77	6.58	-39.38
O=C(CCCC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004577967	1	29	-1.0	-46.03	271.68	6.60	-39.43
CC(C)C(=O)NC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004577968	0	32	-1.0	-51.04	291.81	3.09	-47.95
CC(C)C(=O)NC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004577968	1	32	-1.0	-51.11	291.72	3.10	-48.01
COC1=CC=CC(SCC(=O)NC2=N[N-]N=N2)=C1	REAL250004577969	0	28	-1.0	-46.94	260.15	4.25	-42.69
COC1=CC=CC(SCC(=O)NC2=NN=N[N-]2)=C1	REAL250004577969	1	28	-1.0	-47.00	260.06	4.25	-42.75
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL250004577970	0	33	-1.0	-50.94	293.49	5.31	-45.63
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL250004577970	1	33	-1.0	-50.87	293.59	5.28	-45.59
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004577971	0	30	-1.0	-43.37	274.05	4.14	-39.23
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004577971	1	30	-1.0	-43.33	274.15	4.14	-39.19
CC(SCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004577972	0	30	-1.0	-46.44	275.01	6.41	-40.03
CC(SCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004577972	1	30	-1.0	-46.51	274.92	6.42	-40.09
O=C(CC1=CSC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004577973	0	26	-1.0	-46.36	248.40	5.85	-40.51
O=C(CC1=CSC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004577973	1	26	-1.0	-46.27	248.49	5.83	-40.44
O=C(NC1=N[N-]N=N1)C1CCCC(C(F)(F)F)C1	REAL250004577974	0	29	-1.0	-45.23	250.68	4.96	-40.27
O=C(NC1=NN=N[N-]1)C1CCCC(C(F)(F)F)C1	REAL250004577974	1	29	-1.0	-45.27	250.59	4.98	-40.29
CC(C)(C)N1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1CC1	REAL250004577975	0	36	-1.0	-48.41	295.79	5.29	-43.12
CC(C)(C)N1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1CC1	REAL250004577975	1	36	-1.0	-48.50	295.69	5.31	-43.19
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL250004577976	0	27	-1.0	-43.69	265.11	5.49	-38.20
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL250004577976	1	27	-1.0	-43.63	265.21	5.47	-38.16
CC1=C(C(=O)NC2=NN=N[N-]2)OC(Br)=C1	REAL250004577977	0	20	-1.0	-40.15	211.20	3.23	-36.92
CC1=C(C(=O)NC2=N[N-]N=N2)OC(Br)=C1	REAL250004577977	1	20	-1.0	-40.05	211.31	3.21	-36.84
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL250004577978	0	39	-1.0	-46.32	318.78	7.53	-38.79
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL250004577978	1	39	-1.0	-46.38	318.69	7.55	-38.83
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=N[N-]N=N1	REAL250004577979	0	39	-1.0	-46.25	314.70	7.23	-39.02
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=NN=N[N-]1	REAL250004577979	1	39	-1.0	-46.39	314.61	7.24	-39.15
CC1=CC(OC(C)C(=O)NC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004577980	0	39	-1.0	-46.98	315.20	7.40	-39.58
CC1=CC(OC(C)C(=O)NC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004577980	1	39	-1.0	-47.09	315.11	7.42	-39.67
CC(C)OC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577981	0	34	-1.0	-45.53	291.20	5.84	-39.69
CC(C)OC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577981	1	34	-1.0	-45.56	291.10	5.84	-39.72
CCCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577982	0	34	-1.0	-45.26	294.81	6.02	-39.24
CCCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577982	1	34	-1.0	-45.35	294.70	6.02	-39.33
CC1=NN(CC(=O)NC2=N[N-]N=N2)C(C)=C1Cl	REAL250004577983	0	26	-1.0	-48.25	251.05	3.41	-44.84
CC1=NN(CC(=O)NC2=NN=N[N-]2)C(C)=C1Cl	REAL250004577983	1	26	-1.0	-48.38	250.96	3.42	-44.96
COCCN1C=C(C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004577984	0	30	-1.0	-44.53	266.62	2.62	-41.91
COCCN1C=C(C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004577984	1	30	-1.0	-44.42	266.72	2.62	-41.80
O=C(CCC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004577985	0	23	-1.0	-42.18	240.81	4.98	-37.20
O=C(CCC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004577985	1	23	-1.0	-42.17	240.72	5.00	-37.17
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004577986	0	29	-1.0	-56.85	259.54	1.95	-54.90
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004577986	1	29	-1.0	-56.78	259.63	1.93	-54.85
CC(C)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577987	0	35	-1.0	-43.26	293.77	7.21	-36.05
CC(C)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577987	1	35	-1.0	-43.36	293.67	7.23	-36.13
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004577988	0	27	-1.0	-46.22	259.78	5.32	-40.90
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004577988	1	27	-1.0	-46.28	259.69	5.33	-40.95
O=C(NC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL250004577989	0	33	-1.0	-47.99	291.42	3.56	-44.43
O=C(NC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL250004577989	1	33	-1.0	-48.08	291.33	3.58	-44.50
O=C(CN1CCS(=O)(=O)CC1)NC1=N[N-]N=N1	REAL250004577990	0	28	-1.0	-51.07	246.27	-1.96	-53.03
O=C(CN1CCS(=O)(=O)CC1)NC1=NN=N[N-]1	REAL250004577990	1	28	-1.0	-51.14	246.17	-1.95	-53.09
O=C(CCN1CCCS1(=O)=O)NC1=N[N-]N=N1	REAL250004577991	0	28	-1.0	-54.57	255.76	-0.20	-54.77
O=C(CCN1CCCS1(=O)=O)NC1=NN=N[N-]1	REAL250004577991	1	28	-1.0	-54.64	255.67	-0.18	-54.82
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=N[N-]N=N1	REAL250004577992	0	27	-1.0	-58.89	267.53	2.79	-56.10
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=NN=N[N-]1	REAL250004577992	1	27	-1.0	-58.96	267.44	2.80	-56.16
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=NC=CC=N2)=N1	REAL250004577993	0	27	-1.0	-47.33	263.14	2.70	-44.63
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=NC=CC=N2)=N1	REAL250004577993	1	27	-1.0	-47.23	263.24	2.69	-44.54
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004577994	0	33	-1.0	-45.77	289.21	5.90	-39.87
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004577994	1	33	-1.0	-45.69	289.32	5.88	-39.81
CC(C)(C)N1C=C(C(=O)C(=O)NC2=N[N-]N=N2)C=N1	REAL250004577995	0	31	-1.0	-42.51	272.88	3.42	-39.09
CC(C)(C)N1C=C(C(=O)C(=O)NC2=NN=N[N-]2)C=N1	REAL250004577995	1	31	-1.0	-42.57	272.79	3.43	-39.14
COC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004577996	0	31	-1.0	-49.83	276.12	4.12	-45.71
COC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004577996	1	31	-1.0	-49.93	276.03	4.13	-45.80
CN1C=C(C2=NC(C(=O)NC3=NN=N[N-]3)=CS2)C=N1	REAL250004577997	0	26	-1.0	-50.30	259.34	2.40	-47.90
CN1C=C(C2=NC(C(=O)NC3=N[N-]N=N3)=CS2)C=N1	REAL250004577997	1	26	-1.0	-50.25	259.44	2.39	-47.86
O=C(CN1C=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004577998	0	20	-1.0	-49.91	214.06	2.53	-47.38
O=C(CN1C=C(Br)C=N1)NC1=NN=N[N-]1	REAL250004577998	1	20	-1.0	-50.01	213.96	2.54	-47.47
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=N[N-]N=N1	REAL250004577999	0	34	-1.0	-46.27	289.93	5.08	-41.19
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=NN=N[N-]1	REAL250004577999	1	34	-1.0	-46.33	289.84	5.10	-41.23
CCCC1=C(C(=O)NC2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004578000	0	35	-1.0	-47.75	302.49	4.93	-42.82
CCCC1=C(C(=O)NC2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004578000	1	35	-1.0	-47.67	302.59	4.92	-42.75
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004578001	0	23	-1.0	-50.69	228.55	2.57	-48.12
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004578001	1	23	-1.0	-50.61	228.65	2.56	-48.05
CC(C(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=C(F)C=C1	REAL250004578002	0	29	-1.0	-51.84	274.40	2.59	-49.25
CC(C(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL250004578002	1	29	-1.0	-51.89	274.30	2.60	-49.29
CC1=CC(C2(C(=O)NC3=N[N-]N=N3)CCC2)=CC(C)=C1	REAL250004578003	0	36	-1.0	-45.83	298.01	7.35	-38.48
CC1=CC(C2(C(=O)NC3=NN=N[N-]3)CCC2)=CC(C)=C1	REAL250004578003	1	36	-1.0	-45.89	297.92	7.37	-38.52
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CC(C)SC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578016	1	30	-1.0	-43.55	265.29	6.20	-37.35
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COC1=CC=C(Cl)C=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004578018	1	28	-1.0	-47.03	267.01	4.87	-42.16
CC(SC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004578019	0	27	-1.0	-46.53	262.12	5.86	-40.67
CC(SC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004578019	1	27	-1.0	-46.63	262.03	5.88	-40.75
COC1=CC=C(SC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578020	0	31	-1.0	-44.75	278.79	4.69	-40.06
COC1=CC=C(SC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578020	1	31	-1.0	-44.83	278.70	4.71	-40.12
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O=C(CCCOC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004578021	1	30	-1.0	-47.01	280.15	5.40	-41.61
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004578022	0	29	-1.0	-46.86	268.04	5.53	-41.33
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004578022	1	29	-1.0	-46.94	267.94	5.55	-41.39
O=C(CC1CCCC(C(F)(F)F)C1)NC1=N[N-]N=N1	REAL250004578023	0	32	-1.0	-43.14	269.36	5.66	-37.48
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CC(C)CC(=O)NC(C(=O)NC1=N[N-]N=N1)C(C)C	REAL250004578024	0	38	-1.0	-40.32	300.81	3.58	-36.74
CC(C)CC(=O)NC(C(=O)NC1=NN=N[N-]1)C(C)C	REAL250004578024	1	38	-1.0	-40.39	300.71	3.59	-36.80
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578025	0	35	-1.0	-52.95	304.59	6.38	-46.57
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578025	1	35	-1.0	-52.86	304.68	6.37	-46.49
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O=C(CCC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL250004578026	1	26	-1.0	-44.10	249.54	5.73	-38.37
CC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578027	0	23	-1.0	-41.19	224.75	5.09	-36.10
CC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578027	1	23	-1.0	-41.14	224.85	5.09	-36.05
CC(C(=O)NC1=N[N-]N=N1)N1C=C(Br)C=N1	REAL250004578028	0	23	-1.0	-45.69	232.57	2.99	-42.70
CC(C(=O)NC1=NN=N[N-]1)N1C=C(Br)C=N1	REAL250004578028	1	23	-1.0	-45.75	232.47	3.01	-42.74
CC1=NC2=CC(F)=CC(C(=O)NC3=NN=N[N-]3)=C2N=C1C	REAL250004578029	0	30	-1.0	-49.07	266.63	3.84	-45.23
CC1=NC2=CC(F)=CC(C(=O)NC3=N[N-]N=N3)=C2N=C1C	REAL250004578029	1	30	-1.0	-48.96	266.73	3.84	-45.12
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NC1=N[N-]N=N1	REAL250004578030	0	32	-1.0	-54.05	288.42	4.89	-49.16
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O=C(NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1)C1=CC=CO1	REAL250004578031	0	31	-1.0	-58.38	283.42	3.85	-54.53
O=C(NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1)C1=CC=CO1	REAL250004578031	1	31	-1.0	-58.32	283.52	3.83	-54.49
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=NN=N[N-]1	REAL250004578032	0	28	-1.0	-46.15	251.29	4.19	-41.96
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=N[N-]N=N1	REAL250004578032	1	28	-1.0	-46.07	251.39	4.20	-41.87
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL250004578033	0	32	-1.0	-44.38	282.70	4.67	-39.71
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL250004578033	1	32	-1.0	-44.31	282.80	4.63	-39.68
O=C(CCN1C=C(Br)C=N1)NC1=NN=N[N-]1	REAL250004578034	0	23	-1.0	-41.85	236.14	3.08	-38.77
O=C(CCN1C=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004578034	1	23	-1.0	-41.77	236.23	3.07	-38.70
O=C(CCCS(=O)(=O)N1CCCC1)NC1=N[N-]N=N1	REAL250004578035	0	34	-1.0	-55.75	297.85	1.46	-54.29
O=C(CCCS(=O)(=O)N1CCCC1)NC1=NN=N[N-]1	REAL250004578035	1	34	-1.0	-55.81	297.75	1.48	-54.33
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O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL250004578036	1	28	-1.0	-39.62	255.94	4.13	-35.49
CC(C)OC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004578037	0	29	-1.0	-41.09	272.57	2.92	-38.17
CC(C)OC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004578037	1	29	-1.0	-40.99	272.67	2.92	-38.07
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004578038	0	29	-1.0	-43.75	259.90	5.90	-37.85
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004578038	1	29	-1.0	-43.81	259.81	5.92	-37.89
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004578039	0	32	-1.0	-44.76	279.66	7.54	-37.22
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004578039	1	32	-1.0	-44.84	279.57	7.55	-37.29
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL250004578040	0	27	-1.0	-44.86	265.11	5.49	-39.37
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL250004578040	1	27	-1.0	-44.77	265.21	5.48	-39.29
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL250004578041	0	25	-1.0	-52.35	243.19	5.12	-47.23
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CN=C21	REAL250004578041	1	25	-1.0	-52.28	243.29	5.11	-47.17
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL250004578042	0	32	-1.0	-44.05	282.69	4.67	-39.38
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL250004578042	1	32	-1.0	-44.00	282.78	4.65	-39.35
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004578043	0	29	-1.0	-44.57	261.29	4.00	-40.57
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004578043	1	29	-1.0	-44.45	261.39	3.98	-40.47
CC(C)C(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004578044	0	36	-1.0	-59.65	283.77	5.27	-54.38
CC(C)C(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004578044	1	36	-1.0	-59.69	283.68	5.28	-54.41
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1SC1CCCC1	REAL250004578045	0	33	-1.0	-47.77	283.37	6.32	-41.45
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SC1CCCC1	REAL250004578045	1	33	-1.0	-47.69	283.47	6.33	-41.36
CC1=CC=C(C(=O)CCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004578046	0	34	-1.0	-43.80	292.13	6.30	-37.50
CC1=CC=C(C(=O)CCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004578046	1	34	-1.0	-43.88	292.04	6.32	-37.56
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL250004578047	0	24	-1.0	-48.28	227.84	2.74	-45.54
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=NC=CN=C12	REAL250004578047	1	24	-1.0	-48.20	227.93	2.74	-45.46
CCS(=O)(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004578048	0	34	-1.0	-51.39	289.56	1.32	-50.07
CCS(=O)(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004578048	1	34	-1.0	-51.51	289.47	1.34	-50.17
CCC1=NOC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004578049	0	27	-1.0	-40.87	247.33	1.98	-38.89
CCC1=NOC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004578049	1	27	-1.0	-40.80	247.43	1.97	-38.83
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL250004578050	0	26	-1.0	-42.35	247.51	5.91	-36.44
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL250004578050	1	26	-1.0	-42.26	247.61	5.90	-36.36
NC(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004578051	0	31	-1.0	-55.44	280.71	2.67	-52.77
NC(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004578051	1	31	-1.0	-55.38	280.81	2.66	-52.72
CCSCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578052	0	30	-1.0	-45.61	274.99	6.58	-39.03
CCSCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578052	1	30	-1.0	-45.55	275.09	6.56	-38.99
COC(=O)COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578053	0	30	-1.0	-55.36	273.25	4.73	-50.63
COC(=O)COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578053	1	30	-1.0	-55.30	273.35	4.71	-50.59
CSC1=NC(C(=O)NC2=NN=N[N-]2)=C2C=CC=CN12	REAL250004578054	0	27	-1.0	-52.43	258.40	5.33	-47.10
CSC1=NC(C(=O)NC2=N[N-]N=N2)=C2C=CC=CN12	REAL250004578054	1	27	-1.0	-52.34	258.51	5.32	-47.02
O=C(CCNC(=O)OCC(F)(F)F)NC1=N[N-]N=N1	REAL250004578055	0	27	-1.0	-48.30	265.21	0.59	-47.71
O=C(CCNC(=O)OCC(F)(F)F)NC1=NN=N[N-]1	REAL250004578055	1	27	-1.0	-48.39	265.12	0.60	-47.79
COC1=CC=CC(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004578056	0	24	-1.0	-51.15	236.12	3.44	-47.71
COC1=CC=CC(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004578056	1	24	-1.0	-51.06	236.22	3.43	-47.63
COC(=O)COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578057	0	30	-1.0	-49.08	273.17	4.74	-44.34
COC(=O)COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578057	1	30	-1.0	-49.02	273.27	4.74	-44.28
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CS2)S1	REAL250004578058	0	20	-1.0	-43.72	216.67	4.30	-39.42
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CS2)S1	REAL250004578058	1	20	-1.0	-43.64	216.78	4.29	-39.35
O=C(CCCOC1=CC=CC=C1F)NC1=N[N-]N=N1	REAL250004578059	0	30	-1.0	-51.61	269.74	4.95	-46.66
O=C(CCCOC1=CC=CC=C1F)NC1=NN=N[N-]1	REAL250004578059	1	30	-1.0	-51.69	269.65	4.96	-46.73
CN1N=NN=C1SCCC(=O)NC1=NN=N[N-]1	REAL250004578060	0	25	-1.0	-52.47	246.94	1.89	-50.58
CN1N=NN=C1SCCC(=O)NC1=N[N-]N=N1	REAL250004578060	1	25	-1.0	-52.40	247.04	1.87	-50.53
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NC1=N[N-]N=N1	REAL250004578061	0	34	-1.0	-49.72	288.88	5.69	-44.03
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NC1=NN=N[N-]1	REAL250004578061	1	34	-1.0	-49.75	288.79	5.71	-44.04
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CCN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004578066	0	30	-1.0	-43.80	260.59	6.24	-37.56
CCN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004578066	1	30	-1.0	-43.73	260.70	6.23	-37.50
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CCCC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004578068	0	36	-1.0	-59.47	286.04	5.51	-53.96
CCCC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004578068	1	36	-1.0	-59.55	285.95	5.52	-54.03
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COC1=CC=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578074	0	26	-1.0	-55.70	243.60	4.41	-51.29
COC1=CC=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578074	1	26	-1.0	-55.61	243.69	4.39	-51.22
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COC1=CC=C(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)C=C1	REAL250004578076	0	31	-1.0	-49.20	278.26	4.27	-44.93
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CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004578077	0	32	-1.0	-42.93	285.72	6.72	-36.21
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004578077	1	32	-1.0	-43.03	285.62	6.73	-36.30
CC1=CC=CC(OCCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004578078	0	36	-1.0	-45.83	306.42	6.33	-39.50
CC1=CC=CC(OCCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004578078	1	36	-1.0	-45.92	306.33	6.34	-39.58
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=N[N-]N=N1	REAL250004578079	0	28	-1.0	-50.05	259.34	5.28	-44.77
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=NN=N[N-]1	REAL250004578079	1	28	-1.0	-50.15	259.25	5.30	-44.85
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CC(C)(C)C(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004578081	0	39	-1.0	-51.41	298.51	4.27	-47.14
CC(C)(C)C(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004578081	1	39	-1.0	-51.44	298.42	4.29	-47.15
CCOC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004578082	0	26	-1.0	-43.82	251.19	2.10	-41.72
CCOC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004578082	1	26	-1.0	-43.75	251.29	2.09	-41.66
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CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL250004578089	0	32	-1.0	-44.22	273.32	6.04	-38.18
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL250004578089	1	32	-1.0	-44.14	273.42	6.03	-38.11
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O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SC(F)(F)F	REAL250004578091	1	23	-1.0	-45.29	238.05	4.07	-41.22
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004578092	0	35	-1.0	-44.16	307.05	4.49	-39.67
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004578092	1	35	-1.0	-44.14	307.15	4.48	-39.66
CCCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004578093	0	43	-1.0	-43.69	345.62	8.51	-35.18
CCCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004578093	1	43	-1.0	-43.72	345.53	8.52	-35.20
COCCOC1=NC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578094	0	30	-1.0	-53.28	267.91	1.88	-51.40
COCCOC1=NC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578094	1	30	-1.0	-53.25	268.01	1.88	-51.37
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O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)N=C1Cl	REAL250004578095	1	19	-1.0	-43.39	212.03	2.90	-40.49
CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004578096	0	30	-1.0	-47.99	271.24	6.37	-41.62
CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004578096	1	30	-1.0	-47.91	271.34	6.35	-41.56
CC(=O)NC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578097	0	27	-1.0	-57.31	248.35	2.78	-54.53
CC(=O)NC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578097	1	27	-1.0	-50.20	248.15	2.76	-47.44
CC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004578098	0	27	-1.0	-53.04	248.56	2.85	-50.19
CC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004578098	1	27	-1.0	-52.99	248.66	2.82	-50.17
COCCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578099	0	31	-1.0	-54.34	270.21	4.45	-49.89
COCCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578099	1	31	-1.0	-54.32	270.31	4.45	-49.87
COCCOC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578100	0	31	-1.0	-50.46	272.37	3.32	-47.14
COCCOC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578100	1	31	-1.0	-50.35	272.47	3.28	-47.07
CCSC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004578101	0	26	-1.0	-43.87	247.55	4.06	-39.81
CCSC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004578101	1	26	-1.0	-43.83	247.65	4.05	-39.78
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CC1=CC=C(C)N1C1=C(C(=O)NC2=NN=N[N-]2)C=NN1C	REAL250004578103	0	34	-1.0	-47.19	299.85	6.39	-40.80
CC1=CC=C(C)N1C1=C(C(=O)NC2=N[N-]N=N2)C=NN1C	REAL250004578103	1	34	-1.0	-47.09	299.95	6.38	-40.71
CCOC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578104	0	33	-1.0	-44.35	284.90	5.50	-38.85
CCOC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578104	1	33	-1.0	-44.44	284.81	5.52	-38.92
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL250004578105	0	29	-1.0	-44.13	257.82	5.55	-38.58
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL250004578105	1	29	-1.0	-44.03	257.92	5.54	-38.49
O=C(CN1C=CC2=CC=C(Cl)C=C21)NC1=N[N-]N=N1	REAL250004578106	0	27	-1.0	-48.02	262.02	6.46	-41.56
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O=C(CCC1=CC(F)=CC=C1F)NC1=N[N-]N=N1	REAL250004578107	0	26	-1.0	-44.03	245.40	5.38	-38.65
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CC1=C(C)N(CC(=O)NC2=N[N-]N=N2)C(=O)S1	REAL250004578108	0	26	-1.0	-50.59	244.17	3.22	-47.37
CC1=C(C)N(CC(=O)NC2=NN=N[N-]2)C(=O)S1	REAL250004578108	1	26	-1.0	-50.60	244.08	3.23	-47.37
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CC(C)OC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004578110	0	29	-1.0	-43.73	271.33	3.01	-40.72
CC(C)OC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004578110	1	29	-1.0	-43.65	271.43	3.00	-40.65
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COC1=NC(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004578112	0	29	-1.0	-46.23	262.00	3.00	-43.23
COC1=NC(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004578112	1	29	-1.0	-46.21	262.09	3.00	-43.21
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O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1)N1C=CC=N1	REAL250004578113	1	30	-1.0	-42.23	268.32	4.97	-37.26
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL250004578114	0	26	-1.0	-45.39	258.32	4.61	-40.78
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O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL250004578116	0	28	-1.0	-43.37	267.51	3.11	-40.26
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C(N2CCCC2)S1	REAL250004578116	1	28	-1.0	-43.31	267.62	3.09	-40.22
CCCCN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578117	0	37	-1.0	-46.77	303.48	6.70	-40.07
CCCCN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578117	1	37	-1.0	-46.71	303.59	6.71	-40.00
CCCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578118	0	37	-1.0	-46.43	303.79	6.86	-39.57
CCCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578118	1	37	-1.0	-46.32	303.90	6.86	-39.46
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CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL250004578121	0	33	-1.0	-40.27	277.36	2.73	-37.54
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL250004578121	1	33	-1.0	-40.17	277.44	2.74	-37.43
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CC1=C(CC(=O)NC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004578123	1	32	-1.0	-53.73	283.45	4.69	-49.04
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CC1=NN(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004578125	0	30	-1.0	-55.65	267.73	5.60	-50.05
CC1=NN(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004578125	1	30	-1.0	-55.57	267.82	5.58	-49.99
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CN1C=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004578128	0	30	-1.0	-49.73	266.40	6.27	-43.46
CN1C=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004578128	1	30	-1.0	-49.66	266.50	6.25	-43.41
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O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C(F)=C1	REAL250004578129	1	20	-1.0	-39.85	214.49	4.45	-35.40
CCS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578130	0	29	-1.0	-49.51	269.53	2.24	-47.27
CCS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578130	1	29	-1.0	-49.47	269.63	2.22	-47.25
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004578131	0	37	-1.0	-54.56	301.49	4.14	-50.42
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004578131	1	37	-1.0	-54.65	301.40	4.16	-50.49
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL250004578132	0	27	-1.0	-48.22	252.77	5.13	-43.09
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CC(=O)C1=CC=CC(OCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004578133	0	35	-1.0	-56.06	306.28	5.36	-50.70
CC(=O)C1=CC=CC(OCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004578133	1	35	-1.0	-56.18	306.19	5.37	-50.81
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL250004578134	0	23	-1.0	-42.68	231.67	4.87	-37.81
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL250004578134	1	23	-1.0	-42.60	231.77	4.84	-37.76
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004578135	0	28	-1.0	-51.00	253.04	5.66	-45.34
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004578135	1	28	-1.0	-51.05	252.94	5.68	-45.37
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578136	0	29	-1.0	-47.94	266.11	3.39	-44.55
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578136	1	29	-1.0	-48.02	266.02	3.41	-44.61
O=C(CCN1C=C([N+](=O)[O-])C=N1)NC1=NN=N[N-]1	REAL250004578137	0	25	-1.0	-43.96	244.62	3.18	-40.78
O=C(CCN1C=C([N+](=O)[O-])C=N1)NC1=N[N-]N=N1	REAL250004578137	1	25	-1.0	-43.85	244.71	3.17	-40.68
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=N[N-]N=N1	REAL250004578138	0	28	-1.0	-47.45	264.26	5.48	-41.97
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=NN=N[N-]1	REAL250004578138	1	28	-1.0	-47.55	264.17	5.50	-42.05
CCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004578139	0	33	-1.0	-45.34	279.62	5.53	-39.81
CCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004578139	1	33	-1.0	-45.40	279.52	5.53	-39.87
COC1=CC=C(C)C=C1N1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004578140	0	34	-1.0	-50.98	297.48	5.27	-45.71
COC1=CC=C(C)C=C1N1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004578140	1	34	-1.0	-50.86	297.58	5.26	-45.60
CN(C)C(=O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004578141	0	29	-1.0	-55.20	264.84	0.60	-54.60
CN(C)C(=O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004578141	1	29	-1.0	-55.13	264.94	0.58	-54.55
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CC(C)OC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578144	0	33	-1.0	-46.97	281.44	5.32	-41.65
CC(C)OC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578144	1	33	-1.0	-47.02	281.34	5.34	-41.68
CC(C)CC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004578145	0	28	-1.0	-45.21	256.41	3.52	-41.69
CC(C)CC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004578145	1	28	-1.0	-45.32	256.31	3.53	-41.79
CC1=CC=C(CCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578146	0	35	-1.0	-44.80	297.95	7.51	-37.29
CC1=CC=C(CCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578146	1	35	-1.0	-44.88	297.86	7.53	-37.35
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O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL250004578147	1	27	-1.0	-46.66	260.58	5.66	-41.00
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004578148	0	26	-1.0	-52.04	251.43	5.55	-46.49
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004578148	1	26	-1.0	-52.10	251.33	5.54	-46.56
COC1=CC=C2CC(C(=O)NC3=N[N-]N=N3)COC2=C1	REAL250004578149	0	32	-1.0	-42.87	271.55	3.63	-39.24
COC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)COC2=C1	REAL250004578149	1	32	-1.0	-42.90	271.45	3.64	-39.26
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL250004578150	0	26	-1.0	-46.52	256.83	4.06	-42.46
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL250004578150	1	26	-1.0	-46.42	256.93	4.04	-42.38
O=C(CCCOC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004578151	0	30	-1.0	-50.24	276.15	5.00	-45.24
O=C(CCCOC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004578151	1	30	-1.0	-50.31	276.06	5.02	-45.29
CN1C(C(=O)NC2=NN=N[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL250004578152	0	31	-1.0	-44.42	271.97	6.50	-37.92
CN1C(C(=O)NC2=N[N-]N=N2)=CC=C1C1=CC=C(F)C=C1	REAL250004578152	1	31	-1.0	-44.33	272.07	6.49	-37.84
CC(C)CN1N=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004578153	0	34	-1.0	-43.76	291.51	4.85	-38.91
CC(C)CN1N=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004578153	1	34	-1.0	-43.70	291.60	4.84	-38.86
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL250004578154	0	31	-1.0	-42.17	273.73	4.11	-38.06
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL250004578154	1	31	-1.0	-42.26	273.63	4.12	-38.14
CC1=CN(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004578155	0	30	-1.0	-48.65	267.13	6.63	-42.02
CC1=CN(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004578155	1	30	-1.0	-48.60	267.23	6.62	-41.98
CCCCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578156	0	40	-1.0	-46.50	325.29	7.64	-38.86
CCCCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578156	1	40	-1.0	-46.43	325.39	7.64	-38.79
CCN1C=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004578157	0	33	-1.0	-49.29	288.26	7.17	-42.12
CCN1C=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004578157	1	33	-1.0	-49.22	288.35	7.15	-42.07
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004578158	0	30	-1.0	-52.69	268.84	6.01	-46.68
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004578158	1	30	-1.0	-52.64	268.94	5.99	-46.65
CC(OCC1CCCCO1)C(=O)NC1=N[N-]N=N1	REAL250004578159	0	34	-1.0	-50.59	280.89	3.82	-46.77
CC(OCC1CCCCO1)C(=O)NC1=NN=N[N-]1	REAL250004578159	1	34	-1.0	-50.65	280.80	3.84	-46.81
CC(=O)CCC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578160	0	35	-1.0	-50.63	308.65	6.45	-44.18
CC(=O)CCC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578160	1	35	-1.0	-50.70	308.56	6.46	-44.24
CC(C)(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004578161	0	42	-1.0	-43.92	330.31	8.46	-35.46
CC(C)(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004578161	1	42	-1.0	-43.95	330.21	8.47	-35.48
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004578162	0	32	-1.0	-56.44	279.77	5.30	-51.14
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004578162	1	32	-1.0	-56.51	279.68	5.32	-51.19
N#CC1=CC=C(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)C=C1	REAL250004578163	0	32	-1.0	-45.43	287.53	5.15	-40.28
N#CC1=CC=C(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)C=C1	REAL250004578163	1	32	-1.0	-45.51	287.43	5.16	-40.35
COC1=CC=CC=C1C(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004578164	0	33	-1.0	-47.43	268.24	5.57	-41.86
COC1=CC=CC=C1C(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004578164	1	33	-1.0	-47.46	268.15	5.59	-41.87
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004578165	0	30	-1.0	-42.11	280.60	6.79	-35.32
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004578165	1	30	-1.0	-42.21	280.50	6.80	-35.41
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=N[N-]N=N1	REAL250004578166	0	23	-1.0	-43.41	243.11	5.42	-37.99
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=NN=N[N-]1	REAL250004578166	1	23	-1.0	-43.47	243.01	5.43	-38.04
COC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004578167	0	30	-1.0	-50.44	276.56	5.07	-45.37
COC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004578167	1	30	-1.0	-50.57	276.46	5.08	-45.49
CC(C)C1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578168	0	36	-1.0	-43.40	302.21	6.03	-37.37
CC(C)C1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578168	1	36	-1.0	-43.46	302.12	6.05	-37.41
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CS1	REAL250004578169	0	17	-1.0	-42.26	201.01	3.43	-38.83
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CS1	REAL250004578169	1	17	-1.0	-42.25	201.11	3.41	-38.84
CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004578170	0	39	-1.0	-54.88	306.47	5.62	-49.26
CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004578170	1	39	-1.0	-54.94	306.38	5.63	-49.31
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL250004578171	0	33	-1.0	-45.59	271.18	2.64	-42.95
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCOCC2)C=C1	REAL250004578171	1	33	-1.0	-45.53	271.28	2.64	-42.89
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL250004578172	0	30	-1.0	-46.00	274.43	4.17	-41.83
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL250004578172	1	30	-1.0	-45.97	274.53	4.16	-41.81
COC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578173	0	33	-1.0	-47.61	284.55	5.36	-42.25
COC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578173	1	33	-1.0	-47.66	284.45	5.38	-42.28
C=CCN1C(=O)C(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004578174	0	28	-1.0	-47.68	271.72	2.33	-45.35
C=CCN1C(=O)C(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004578174	1	28	-1.0	-47.74	271.63	2.34	-45.40
CC(C)C(C(=O)NC1=N[N-]N=N1)N1CCCC1=O	REAL250004578175	0	33	-1.0	-56.76	267.76	5.68	-51.08
CC(C)C(C(=O)NC1=NN=N[N-]1)N1CCCC1=O	REAL250004578175	1	33	-1.0	-56.83	267.67	5.68	-51.15
COC1=CC(Cl)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578176	0	24	-1.0	-46.47	231.44	4.83	-41.64
COC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578176	1	24	-1.0	-46.39	231.54	4.81	-41.58
CCN(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004578177	0	37	-1.0	-46.42	292.62	6.36	-40.06
CCN(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004578177	1	37	-1.0	-46.31	292.80	6.36	-39.95
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL250004578178	0	25	-1.0	-49.27	238.11	5.67	-43.60
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2C=NC=N2)=C1	REAL250004578178	1	25	-1.0	-49.23	238.20	5.65	-43.58
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1CCOCC1	REAL250004578179	0	33	-1.0	-47.69	272.73	3.95	-43.74
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1CCOCC1	REAL250004578179	1	33	-1.0	-47.62	272.83	3.94	-43.68
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1CCOCC1	REAL250004578180	0	32	-1.0	-47.22	270.44	2.97	-44.25
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1N1CCOCC1	REAL250004578180	1	32	-1.0	-47.14	270.54	2.97	-44.17
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL250004578181	0	27	-1.0	-51.64	261.16	5.66	-45.98
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL250004578181	1	27	-1.0	-51.55	261.26	5.66	-45.89
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004578182	0	34	-1.0	-47.28	295.46	6.88	-40.40
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004578182	1	34	-1.0	-47.19	295.56	6.87	-40.32
CN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004578183	0	28	-1.0	-44.26	248.24	3.35	-40.91
CN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004578183	1	28	-1.0	-44.20	248.34	3.35	-40.85
O=C(CCCOC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004578184	0	30	-1.0	-49.87	279.54	5.43	-44.44
O=C(CCCOC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004578184	1	30	-1.0	-49.95	279.45	5.44	-44.51
CC(C)C1=NC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004578185	0	27	-1.0	-40.76	255.82	3.56	-37.20
CC(C)C1=NC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004578185	1	27	-1.0	-40.81	255.73	3.56	-37.25
O=C(CCCOCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004578186	0	33	-1.0	-48.26	289.07	5.34	-42.92
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CCN(CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004578188	1	34	-1.0	-42.85	281.72	2.90	-39.95
CCN(CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004578188	1	34	-1.0	-42.91	281.61	2.92	-39.99
CCCN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578189	0	34	-1.0	-46.61	281.73	5.93	-40.68
CCCN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578189	1	34	-1.0	-46.51	281.84	5.92	-40.59
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=N[N-]N=N1	REAL250004578190	0	25	-1.0	-53.55	243.15	4.97	-48.58
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=NN=N[N-]1	REAL250004578190	1	25	-1.0	-53.65	243.06	4.98	-48.67
COC1=CC=CC2=C1OCC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004578192	0	30	-1.0	-46.95	262.66	4.15	-42.80
COC1=CC=CC2=C1OCC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004578192	1	30	-1.0	-47.03	262.56	4.15	-42.88
CC1=NN(CC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C(C)=C1	REAL250004578193	0	36	-1.0	-46.47	312.50	6.50	-39.97
CC1=NN(CC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C(C)=C1	REAL250004578193	1	36	-1.0	-46.39	312.59	6.49	-39.90
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NC1=N[N-]N=N1	REAL250004578194	0	29	-1.0	-49.17	273.41	6.60	-42.57
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NC1=NN=N[N-]1	REAL250004578194	1	29	-1.0	-49.27	273.32	6.61	-42.66
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL250004578195	0	24	-1.0	-45.25	233.06	3.74	-41.51
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL250004578195	1	24	-1.0	-45.15	233.16	3.73	-41.42
COC1=CC(C2(C(=O)NC3=N[N-]N=N3)CCC2)=CC=C1C	REAL250004578196	0	37	-1.0	-44.88	305.57	6.11	-38.77
COC1=CC(C2(C(=O)NC3=NN=N[N-]3)CCC2)=CC=C1C	REAL250004578196	1	37	-1.0	-44.91	305.48	6.12	-38.79
O=C(CC1=CNC2=CC(F)=CC=C12)NC1=NN=N[N-]1	REAL250004578197	0	27	-1.0	-47.88	250.38	4.61	-43.27
O=C(CC1=CNC2=CC(F)=CC=C12)NC1=N[N-]N=N1	REAL250004578197	1	27	-1.0	-47.83	250.47	4.59	-43.24
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004578198	0	26	-1.0	-42.36	242.86	4.55	-37.81
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004578198	1	26	-1.0	-42.29	242.96	4.52	-37.77
NC(=O)C1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578199	0	28	-1.0	-53.44	255.51	1.12	-52.32
NC(=O)C1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578199	1	28	-1.0	-53.52	255.42	1.13	-52.39
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CN=C2)=N1	REAL250004578200	0	29	-1.0	-53.16	261.05	3.29	-49.87
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CN=C2)=N1	REAL250004578200	1	29	-1.0	-53.07	261.16	3.28	-49.79
CC(OC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004578201	0	27	-1.0	-47.37	251.19	5.01	-42.36
CC(OC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004578201	1	27	-1.0	-47.41	251.10	5.03	-42.38
COCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004578203	0	33	-1.0	-43.01	291.54	1.33	-41.68
COCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004578203	1	33	-1.0	-42.93	291.64	1.33	-41.60
CC1(C(=O)NC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004578204	0	33	-1.0	-44.54	259.08	6.59	-37.95
CC1(C(=O)NC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004578204	1	33	-1.0	-44.48	259.17	6.58	-37.90
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578205	0	29	-1.0	-44.00	260.27	4.44	-39.56
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578205	1	29	-1.0	-43.91	260.37	4.44	-39.47
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578206	0	29	-1.0	-44.45	266.19	5.22	-39.23
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578206	1	29	-1.0	-44.33	266.29	5.22	-39.11
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=C1	REAL250004578207	0	30	-1.0	-49.20	265.34	5.20	-44.00
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=C1	REAL250004578207	1	30	-1.0	-49.15	265.43	5.19	-43.96
CCC(C)C(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004578208	0	39	-1.0	-51.09	306.58	4.78	-46.31
CCC(C)C(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004578208	1	39	-1.0	-51.12	306.48	4.80	-46.32
O=C(CCNC(=O)C1CCCCC1)NC1=N[N-]N=N1	REAL250004578209	0	36	-1.0	-52.44	294.41	3.18	-49.26
O=C(CCNC(=O)C1CCCCC1)NC1=NN=N[N-]1	REAL250004578209	1	36	-1.0	-52.57	294.32	3.20	-49.37
CS(=O)(=O)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004578210	0	26	-1.0	-57.19	257.16	0.18	-57.01
CS(=O)(=O)CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004578210	1	26	-1.0	-57.13	257.27	0.15	-56.98
CC(C(=O)NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL250004578211	0	26	-1.0	-43.96	249.55	5.70	-38.26
CC(C(=O)NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL250004578211	1	26	-1.0	-44.03	249.45	5.72	-38.31
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004578212	0	39	-1.0	-46.33	289.79	7.41	-38.92
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004578212	1	39	-1.0	-46.38	289.71	7.43	-38.95
CC(C)COC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004578213	0	40	-1.0	-48.20	324.62	5.07	-43.13
CC(C)COC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004578213	1	40	-1.0	-48.23	324.52	5.10	-43.13
CC(=O)N(CCC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004578214	0	36	-1.0	-44.86	308.85	5.86	-39.00
CC(=O)N(CCC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004578214	1	36	-1.0	-44.92	308.76	5.88	-39.04
CC(=O)C1CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004578215	0	34	-1.0	-47.49	300.03	4.96	-42.53
CC(=O)C1CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004578215	1	34	-1.0	-47.58	299.94	4.96	-42.62
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OCC1CC1	REAL250004578216	0	31	-1.0	-51.80	268.26	6.81	-44.99
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OCC1CC1	REAL250004578216	1	31	-1.0	-51.72	268.36	6.80	-44.92
CC1=CC=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004578217	0	29	-1.0	-44.26	266.16	4.17	-40.09
CC1=CC=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004578217	1	29	-1.0	-44.17	266.26	4.16	-40.01
O=C(CC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004578218	0	23	-1.0	-44.51	233.44	5.08	-39.43
O=C(CC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004578218	1	23	-1.0	-44.61	233.35	5.10	-39.51
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CC=CO2)O1	REAL250004578219	0	29	-1.0	-53.86	271.38	1.61	-52.25
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CO2)O1	REAL250004578219	1	29	-1.0	-53.79	271.47	1.59	-52.20
COC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004578220	0	34	-1.0	-45.16	283.59	5.44	-39.72
COC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004578220	1	34	-1.0	-45.22	283.50	5.45	-39.77
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004578221	0	26	-1.0	-42.97	265.46	6.24	-36.73
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004578221	1	26	-1.0	-43.07	265.37	6.26	-36.81
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL250004578222	0	33	-1.0	-43.19	296.28	4.51	-38.68
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL250004578222	1	33	-1.0	-43.09	296.38	4.51	-38.58
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL250004578223	0	24	-1.0	-47.58	246.04	2.09	-45.49
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=NC=CC=N2)S1	REAL250004578223	1	24	-1.0	-47.58	246.14	2.08	-45.50
CC(C(=O)NC1=N[N-]N=N1)N1C(=O)NC2(CCCC2)C1=O	REAL250004578224	0	35	-1.0	-51.27	290.73	2.68	-48.59
CC(C(=O)NC1=NN=N[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL250004578224	1	35	-1.0	-51.36	290.64	2.70	-48.66
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CSC=C2)O1	REAL250004578225	0	29	-1.0	-51.06	278.62	2.48	-48.58
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CSC=C2)O1	REAL250004578225	1	29	-1.0	-51.00	278.71	2.47	-48.53
O=C(CCC1=CC=CC(F)=C1F)NC1=N[N-]N=N1	REAL250004578226	0	26	-1.0	-46.79	245.29	5.37	-41.42
O=C(CCC1=CC=CC(F)=C1F)NC1=NN=N[N-]1	REAL250004578226	1	26	-1.0	-46.84	245.20	5.38	-41.46
COC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004578227	0	34	-1.0	-48.19	282.15	5.41	-42.78
COC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004578227	1	34	-1.0	-48.23	282.06	5.42	-42.81
CC1=NN(CCC(=O)NC2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL250004578228	0	31	-1.0	-43.25	287.00	4.24	-39.01
CC1=NN(CCC(=O)NC2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL250004578228	1	31	-1.0	-43.39	286.90	4.26	-39.13
COC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004578229	0	31	-1.0	-48.39	269.94	4.97	-43.42
COC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004578229	1	31	-1.0	-48.47	269.84	4.99	-43.48
O=C(NC1=N[N-]N=N1)C(OC1CCCC1)C1=CC=CC=C1	REAL250004578230	0	37	-1.0	-46.76	308.34	7.52	-39.24
O=C(NC1=NN=N[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL250004578230	1	37	-1.0	-46.80	308.25	7.53	-39.27
CC(C)(C)C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004578231	0	28	-1.0	-45.37	256.68	3.36	-42.01
CC(C)(C)C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004578231	1	28	-1.0	-45.31	256.78	3.35	-41.96
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL250004578232	0	30	-1.0	-43.68	258.72	2.44	-41.24
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=N1	REAL250004578232	1	30	-1.0	-43.61	258.81	2.44	-41.17
CC(C)(C(=O)NC1=NN=N[N-]1)N1C=C([N+](=O)[O-])C=N1	REAL250004578233	0	28	-1.0	-50.96	256.90	3.86	-47.10
CC(C)(C(=O)NC1=N[N-]N=N1)N1C=C([N+](=O)[O-])C=N1	REAL250004578233	1	28	-1.0	-50.92	256.99	3.85	-47.07
CCC(CC)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004578234	0	35	-1.0	-45.92	286.42	6.71	-39.21
CCC(CC)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004578234	1	35	-1.0	-45.99	286.33	6.73	-39.26
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCCCC2)=N1	REAL250004578235	0	36	-1.0	-48.33	293.74	5.36	-42.97
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCCCC2)=N1	REAL250004578235	1	36	-1.0	-48.38	293.65	5.37	-43.01
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004578236	0	31	-1.0	-54.37	264.96	4.68	-49.69
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004578236	1	31	-1.0	-54.32	265.05	4.67	-49.65
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL250004578237	0	33	-1.0	-51.43	294.48	6.77	-44.66
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL250004578237	1	33	-1.0	-51.39	294.58	6.77	-44.62
CC(C)(C)C1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004578238	0	31	-1.0	-46.95	278.89	3.96	-42.99
CC(C)(C)C1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004578238	1	31	-1.0	-47.04	278.79	3.98	-43.06
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL250004578239	0	22	-1.0	-36.86	224.74	4.15	-32.71
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250004578239	1	22	-1.0	-36.95	224.65	4.16	-32.79
O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=N[N-]N=N1	REAL250004578240	0	34	-1.0	-51.00	282.79	5.77	-45.23
O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=NN=N[N-]1	REAL250004578240	1	34	-1.0	-51.07	282.68	5.78	-45.29
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=N[N-]N=N1	REAL250004578241	0	25	-1.0	-50.20	244.52	3.73	-46.47
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=NN=N[N-]1	REAL250004578241	1	25	-1.0	-50.27	244.43	3.74	-46.53
O=C(NC1=NN=N[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL250004578242	0	35	-1.0	-43.76	297.49	5.88	-37.88
O=C(NC1=N[N-]N=N1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL250004578242	1	35	-1.0	-43.62	297.59	5.87	-37.75
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL250004578243	0	27	-1.0	-46.54	272.98	4.17	-42.37
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL250004578243	1	27	-1.0	-46.51	273.08	4.15	-42.36
CC1=NSC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004578244	0	24	-1.0	-40.76	234.61	2.64	-38.12
CC1=NSC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004578244	1	24	-1.0	-40.70	234.70	2.63	-38.07
COC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578245	0	24	-1.0	-46.24	236.01	4.94	-41.30
COC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578245	1	24	-1.0	-46.16	236.11	4.92	-41.24
CS(=O)(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004578246	0	29	-1.0	-43.09	248.73	1.01	-42.08
CS(=O)(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004578246	1	29	-1.0	-43.20	248.64	1.02	-42.18
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(F)C=C1[N+](=O)[O-]	REAL250004578247	0	22	-1.0	-45.55	224.35	5.54	-40.01
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(F)C=C1[N+](=O)[O-]	REAL250004578247	1	22	-1.0	-45.45	224.45	5.53	-39.92
CN1C(CC(=O)NC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL250004578248	0	32	-1.0	-55.54	282.05	5.82	-49.72
CN1C(CC(=O)NC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL250004578248	1	32	-1.0	-55.64	281.96	5.84	-49.80
CC(C)OC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004578249	0	33	-1.0	-47.00	280.25	5.38	-41.62
CC(C)OC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004578249	1	33	-1.0	-47.08	280.16	5.40	-41.68
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=N1	REAL250004578250	0	25	-1.0	-45.14	238.07	4.36	-40.78
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL250004578250	1	25	-1.0	-45.22	237.97	4.36	-40.86
CC1=CC=CN2C=C(CC(=O)NC3=N[N-]N=N3)N=C12	REAL250004578251	0	29	-1.0	-57.60	259.70	5.69	-51.91
CC1=CC=CN2C=C(CC(=O)NC3=NN=N[N-]3)N=C12	REAL250004578251	1	29	-1.0	-57.66	259.60	5.70	-51.96
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCC2)=C1	REAL250004578252	0	36	-1.0	-47.05	288.35	7.58	-39.47
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCC2)=C1	REAL250004578252	1	36	-1.0	-47.11	288.26	7.59	-39.52
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=NN=N[N-]1	REAL250004578253	0	28	-1.0	-43.84	247.53	2.92	-40.92
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=N[N-]N=N1	REAL250004578253	1	28	-1.0	-43.75	247.63	2.92	-40.83
CC(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004578254	0	39	-1.0	-43.90	314.33	8.07	-35.83
CC(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004578254	1	39	-1.0	-43.98	314.23	8.08	-35.90
COC1=CC=C(CCCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578255	0	39	-1.0	-47.39	327.54	6.93	-40.46
COC1=CC=C(CCCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578255	1	39	-1.0	-47.47	327.45	6.94	-40.53
CCSC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004578256	0	26	-1.0	-41.94	246.60	4.11	-37.83
CCSC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004578256	1	26	-1.0	-41.82	246.70	4.11	-37.71
CN(C)C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578257	0	30	-1.0	-47.26	257.27	3.60	-43.66
CN(C)C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578257	1	30	-1.0	-47.22	257.36	3.59	-43.63
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=N[N-]N=N1	REAL250004578258	0	29	-1.0	-51.12	275.15	1.17	-49.95
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=NN=N[N-]1	REAL250004578258	1	29	-1.0	-51.21	275.05	1.19	-50.02
CCCC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004578259	0	31	-1.0	-51.81	273.19	4.49	-47.32
CCCC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004578259	1	31	-1.0	-51.87	273.10	4.50	-47.37
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL250004578260	0	30	-1.0	-41.94	268.05	3.04	-38.90
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2CC2)N=C1	REAL250004578260	1	30	-1.0	-41.88	268.15	3.04	-38.84
CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004578261	0	36	-1.0	-47.01	308.19	7.87	-39.14
CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004578261	1	36	-1.0	-47.08	308.10	7.88	-39.20
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL250004578262	0	28	-1.0	-44.98	257.78	4.71	-40.27
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL250004578262	1	28	-1.0	-44.87	257.88	4.70	-40.17
CCCCCS(=O)(=O)CC(=O)NC1=N[N-]N=N1	REAL250004578263	0	31	-1.0	-60.35	279.62	1.74	-58.61
CCCCCS(=O)(=O)CC(=O)NC1=NN=N[N-]1	REAL250004578263	1	31	-1.0	-60.44	279.53	1.74	-58.70
CCCCC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004578264	0	34	-1.0	-51.98	294.69	5.27	-46.71
CCCCC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004578264	1	34	-1.0	-52.04	294.60	5.28	-46.76
CCC=C(C)C(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004578265	0	35	-1.0	-53.18	293.40	5.35	-47.83
CCC=C(C)C(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004578265	1	35	-1.0	-53.17	293.31	5.36	-47.81
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004578266	0	32	-1.0	-46.77	281.50	6.38	-40.39
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004578266	1	32	-1.0	-46.85	281.41	6.41	-40.44
CC(CC(=O)NC1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL250004578267	0	39	-1.0	-50.65	313.76	4.33	-46.32
CC(CC(=O)NC1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL250004578267	1	39	-1.0	-50.71	313.67	4.34	-46.37
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004578268	0	25	-1.0	-45.08	250.55	3.03	-42.05
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004578268	1	25	-1.0	-45.00	250.66	3.02	-41.98
CC(C)OC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578269	0	34	-1.0	-46.54	291.29	5.83	-40.71
CC(C)OC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578269	1	34	-1.0	-46.62	291.19	5.84	-40.78
CC1=CC=CC=C1C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004578270	0	29	-1.0	-45.31	274.68	5.36	-39.95
CC1=CC=CC=C1C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004578270	1	29	-1.0	-45.21	274.78	5.35	-39.86
CC(C)(C)C1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578271	0	41	-1.0	-45.98	331.25	8.38	-37.60
CC(C)(C)C1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578271	1	41	-1.0	-46.08	331.15	8.40	-37.68
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=N1	REAL250004578272	0	19	-1.0	-41.66	205.94	2.67	-38.99
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=N1	REAL250004578272	1	19	-1.0	-41.58	206.04	2.68	-38.90
CC1CC(CC(=O)NC2=N[N-]N=N2)CC(C)(C)C1	REAL250004578273	0	38	-1.0	-44.10	286.80	6.24	-37.86
CC1CC(CC(=O)NC2=NN=N[N-]2)CC(C)(C)C1	REAL250004578273	1	38	-1.0	-44.17	286.70	6.25	-37.92
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL250004578274	0	30	-1.0	-51.29	277.58	6.52	-44.77
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL250004578274	1	30	-1.0	-51.39	277.49	6.52	-44.87
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004578275	0	29	-1.0	-51.85	267.67	5.21	-46.64
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004578275	1	29	-1.0	-51.93	267.58	5.22	-46.71
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=N2)CC1	REAL250004578276	0	37	-1.0	-43.00	298.90	5.07	-37.93
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)CC1	REAL250004578276	1	37	-1.0	-43.09	298.80	5.07	-38.02
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004578277	0	27	-1.0	-43.83	257.10	6.23	-37.60
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004578277	1	27	-1.0	-43.90	257.01	6.24	-37.66
COC1=CC=CC=C1C(C)=CC(=O)NC1=NN=N[N-]1	REAL250004578278	0	31	-1.0	-45.73	270.92	5.14	-40.59
COC1=CC=CC=C1C(C)=CC(=O)NC1=N[N-]N=N1	REAL250004578278	1	31	-1.0	-45.62	271.02	5.14	-40.48
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004578279	0	28	-1.0	-44.34	270.16	5.79	-38.55
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004578279	1	28	-1.0	-44.46	270.06	5.81	-38.65
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC(C)C)=N1	REAL250004578280	0	31	-1.0	-42.02	273.38	4.29	-37.73
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC(C)C)=N1	REAL250004578280	1	31	-1.0	-42.10	273.29	4.30	-37.80
CC1(C)CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004578281	0	36	-1.0	-45.57	282.69	7.03	-38.54
CC1(C)CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004578281	1	36	-1.0	-45.62	282.60	7.05	-38.57
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=N[N-]N=N1	REAL250004578282	0	27	-1.0	-47.53	260.77	5.02	-42.51
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=NN=N[N-]1	REAL250004578282	1	27	-1.0	-47.64	260.68	5.04	-42.60
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL250004578283	0	32	-1.0	-47.02	272.54	4.16	-42.86
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL250004578283	1	32	-1.0	-47.09	272.45	4.18	-42.91
O=C(CSCC1CCCCO1)NC1=N[N-]N=N1	REAL250004578284	0	31	-1.0	-47.53	271.36	3.99	-43.54
O=C(CSCC1CCCCO1)NC1=NN=N[N-]1	REAL250004578284	1	31	-1.0	-47.61	271.27	3.99	-43.62
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578285	1	32	-1.0	-54.04	279.00	2.60	-51.44
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578285	1	32	-1.0	-54.12	278.91	2.62	-51.50
CC(=O)NCC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004578286	0	34	-1.0	-55.25	290.98	1.74	-53.51
CC(=O)NCC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004578286	1	34	-1.0	-55.33	290.89	1.75	-53.58
CC(C)COC1=NC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578287	0	32	-1.0	-50.47	275.89	4.11	-46.36
CC(C)COC1=NC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578287	1	32	-1.0	-50.38	275.99	4.12	-46.26
COC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578288	0	28	-1.0	-55.91	254.33	2.04	-53.87
COC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578288	1	28	-1.0	-55.86	254.43	2.01	-53.85
COC1=CC=CC=C1C(C)CC(=O)NC1=N[N-]N=N1	REAL250004578289	0	33	-1.0	-46.52	274.88	5.10	-41.42
COC1=CC=CC=C1C(C)CC(=O)NC1=NN=N[N-]1	REAL250004578289	1	33	-1.0	-46.59	274.79	5.11	-41.48
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004578290	0	29	-1.0	-41.94	262.81	5.89	-36.05
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004578290	1	29	-1.0	-42.00	262.72	5.90	-36.10
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CC(C)(C)CC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004578324	0	37	-1.0	-50.61	304.89	5.47	-45.14
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COC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCC2)=C1	REAL250004578349	0	37	-1.0	-52.49	296.49	6.21	-46.28
COC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCC2)=C1	REAL250004578349	1	37	-1.0	-52.53	296.40	6.23	-46.30
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CCCC(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578356	1	41	-1.0	-44.24	308.18	7.18	-37.06
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CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004578362	1	27	-1.0	-47.80	260.84	5.52	-42.28
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COCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578366	1	31	-1.0	-46.45	272.39	3.32	-43.13
CC1=CC(OC(F)F)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004578367	0	24	-1.0	-48.55	239.21	4.12	-44.43
CC1=CC(OC(F)F)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004578367	1	24	-1.0	-48.46	239.32	4.11	-44.35
CC(CSC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004578368	0	30	-1.0	-43.17	269.75	6.32	-36.85
CC(CSC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004578368	1	30	-1.0	-43.21	269.65	6.34	-36.87
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CC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004578370	0	30	-1.0	-45.41	264.00	5.91	-39.50
CC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004578370	1	30	-1.0	-45.35	264.10	5.90	-39.45
CC1CCC(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)CC1	REAL250004578371	0	40	-1.0	-51.42	314.37	5.44	-45.98
CC1CCC(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)CC1	REAL250004578371	1	40	-1.0	-51.52	314.28	5.46	-46.06
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CCCC(CC1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004578373	0	38	-1.0	-44.70	295.12	6.80	-37.90
CCCC(CC1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578373	1	38	-1.0	-44.74	295.02	6.81	-37.93
CC(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL250004578374	0	42	-1.0	-47.32	327.22	8.84	-38.48
CC(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL250004578374	1	42	-1.0	-47.43	327.13	8.86	-38.57
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004578375	0	36	-1.0	-45.42	288.03	5.66	-39.76
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004578375	1	36	-1.0	-45.48	287.94	5.67	-39.81
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O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NC1=N[N-]N=N1	REAL250004578376	1	29	-1.0	-52.22	274.36	3.16	-49.06
CN1C=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004578377	0	29	-1.0	-49.26	262.73	3.31	-45.95
CN1C=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004578377	1	29	-1.0	-49.25	262.82	3.30	-45.95
CC(C)(CCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004578378	0	38	-1.0	-44.57	307.69	7.78	-36.79
CC(C)(CCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004578378	1	38	-1.0	-44.63	307.60	7.79	-36.84
CC1=NN=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)O1	REAL250004578379	0	28	-1.0	-47.02	260.22	0.48	-46.54
CC1=NN=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)O1	REAL250004578379	1	28	-1.0	-46.94	260.32	0.46	-46.48
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=CN(C)N=C2)=N1	REAL250004578380	0	29	-1.0	-46.56	276.09	3.13	-43.43
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=CN(C)N=C2)=N1	REAL250004578380	1	29	-1.0	-46.43	276.19	3.12	-43.31
CC1=NN(CCCl)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004578381	0	29	-1.0	-43.93	274.75	4.02	-39.91
CC1=NN(CCCl)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004578381	1	29	-1.0	-44.02	274.65	4.04	-39.98
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004578382	0	29	-1.0	-45.74	259.51	5.90	-39.84
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004578382	1	29	-1.0	-45.79	259.42	5.93	-39.86
CCN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004578383	0	36	-1.0	-49.70	299.34	4.53	-45.17
CCN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004578383	1	36	-1.0	-49.77	299.25	4.54	-45.23
COC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004578384	0	30	-1.0	-44.46	270.63	5.13	-39.33
COC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004578384	1	30	-1.0	-44.39	270.74	5.12	-39.27
CC1=C(C(=O)NC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004578385	0	29	-1.0	-42.04	265.52	2.98	-39.06
CC1=C(C(=O)NC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004578385	1	29	-1.0	-41.93	265.62	2.97	-38.96
CC(C)C(CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004578386	0	41	-1.0	-45.93	305.08	6.97	-38.96
CC(C)C(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578386	1	41	-1.0	-46.00	304.97	6.98	-39.02
CCN1N=C(C)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004578387	0	26	-1.0	-42.89	253.79	3.29	-39.60
CCN1N=C(C)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004578387	1	26	-1.0	-42.98	253.69	3.32	-39.66
O=C(NC1=N[N-]N=N1)C1CC1C1=C(F)C=CC=C1F	REAL250004578388	0	27	-1.0	-47.23	248.16	5.81	-41.42
O=C(NC1=NN=N[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL250004578388	1	27	-1.0	-47.31	248.07	5.83	-41.48
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC1=CC=NC=C1	REAL250004578389	0	33	-1.0	-47.52	292.10	5.61	-41.91
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC1=CC=NC=C1	REAL250004578389	1	33	-1.0	-47.57	292.00	5.63	-41.94
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1N1CCOCC1	REAL250004578390	0	33	-1.0	-45.06	279.14	4.03	-41.03
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1N1CCOCC1	REAL250004578390	1	33	-1.0	-45.02	279.24	4.02	-41.00
O=C(NC1=NN=N[N-]1)C1=C(C2CCCO2)OC=N1	REAL250004578391	0	27	-1.0	-45.23	241.22	-0.48	-45.71
O=C(NC1=N[N-]N=N1)C1=C(C2CCCO2)OC=N1	REAL250004578391	1	27	-1.0	-45.15	241.32	-0.49	-45.64
CCC(CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004578392	0	38	-1.0	-44.78	287.77	6.68	-38.10
CCC(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578392	1	38	-1.0	-44.86	287.67	6.69	-38.17
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004578393	0	34	-1.0	-49.18	302.34	5.25	-43.93
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004578393	1	34	-1.0	-49.28	302.24	5.26	-44.02
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL250004578394	0	31	-1.0	-40.04	278.54	4.15	-35.89
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL250004578394	1	31	-1.0	-39.96	278.63	4.14	-35.82
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1CCC1	REAL250004578395	0	31	-1.0	-51.83	263.16	6.58	-45.25
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1CCC1	REAL250004578395	1	31	-1.0	-51.75	263.26	6.56	-45.19
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004578396	0	23	-1.0	-49.69	234.91	-0.59	-50.28
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004578396	1	23	-1.0	-49.58	235.02	-0.61	-50.19
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004578397	0	30	-1.0	-43.09	264.36	5.69	-37.40
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004578397	1	30	-1.0	-43.11	264.27	5.71	-37.40
CC1=CC=C(N2CCCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578398	0	35	-1.0	-49.00	284.25	6.11	-42.89
CC1=CC=C(N2CCCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578398	1	35	-1.0	-48.96	284.36	6.11	-42.85
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCOCC2)C=C1	REAL250004578399	0	37	-1.0	-45.57	293.61	5.40	-40.17
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCOCC2)C=C1	REAL250004578399	1	37	-1.0	-45.64	293.52	5.41	-40.23
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O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC2=CC=CC=C21	REAL250004578403	0	33	-1.0	-47.49	282.65	7.93	-39.56
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N#CC1=CC=CC(OCCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004578404	0	34	-1.0	-46.57	305.86	6.05	-40.52
N#CC1=CC=CC(OCCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004578404	1	34	-1.0	-46.65	305.76	6.06	-40.59
CCC(SC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004578405	0	30	-1.0	-43.99	268.60	6.10	-37.89
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CC1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578633	1	23	-1.0	-45.39	225.18	5.09	-40.30
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O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL250004578634	1	23	-1.0	-40.40	232.62	4.85	-35.55
O=C(CCCC1=CSC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004578635	0	32	-1.0	-47.85	291.39	7.40	-40.45
O=C(CCCC1=CSC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004578635	1	32	-1.0	-47.92	291.29	7.42	-40.50
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=N2)=NO1	REAL250004578636	0	28	-1.0	-48.38	264.86	3.88	-44.50
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=N2)=NO1	REAL250004578636	1	28	-1.0	-48.35	264.95	3.86	-44.49
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004578637	0	36	-1.0	-47.79	304.99	6.28	-41.51
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004578637	1	36	-1.0	-47.87	304.90	6.30	-41.57
O=C(NC1=NN=N[N-]1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL250004578638	0	25	-1.0	-44.44	243.38	5.07	-39.37
O=C(NC1=N[N-]N=N1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL250004578638	1	25	-1.0	-44.33	243.48	5.05	-39.28
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004578639	0	24	-1.0	-43.51	233.38	3.61	-39.90
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004578639	1	24	-1.0	-43.44	233.48	3.59	-39.85
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1Br	REAL250004578640	0	19	-1.0	-42.61	199.07	2.65	-39.96
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1Br	REAL250004578640	1	19	-1.0	-42.54	199.16	2.65	-39.89
COC1=CC=C2OCC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004578641	0	30	-1.0	-45.38	262.83	3.59	-41.79
COC1=CC=C2OCC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004578641	1	30	-1.0	-45.43	262.73	3.59	-41.84
O=C(NC1=N[N-]N=N1)C12CC3CC(CC(F)(C3)C1)C2	REAL250004578642	0	34	-1.0	-43.84	258.46	5.76	-38.08
O=C(NC1=NN=N[N-]1)C12CC3CC(CC(F)(C3)C1)C2	REAL250004578642	1	34	-1.0	-43.97	258.37	5.77	-38.20
CC1=NC(CC(C)C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004578643	0	31	-1.0	-43.33	274.63	4.44	-38.89
CC1=NC(CC(C)C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004578643	1	31	-1.0	-43.39	274.53	4.45	-38.94
CC(C)CC(C(=O)NC1=N[N-]N=N1)N1CCCCC1=O	REAL250004578644	0	39	-1.0	-54.67	303.29	6.66	-48.01
CC(C)CC(C(=O)NC1=NN=N[N-]1)N1CCCCC1=O	REAL250004578644	1	39	-1.0	-54.71	303.20	6.68	-48.03
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004578645	0	30	-1.0	-42.31	276.15	6.38	-35.93
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004578645	1	30	-1.0	-42.38	276.06	6.40	-35.98
CCC1=NOC(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578646	0	31	-1.0	-46.60	271.65	4.76	-41.84
CCC1=NOC(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578646	1	31	-1.0	-46.70	271.56	4.77	-41.93
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004578647	0	31	-1.0	-45.18	268.56	5.57	-39.61
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004578647	1	31	-1.0	-45.21	268.47	5.59	-39.62
CN1C=C(CCC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004578648	0	33	-1.0	-46.93	287.90	7.05	-39.88
CN1C=C(CCC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004578648	1	33	-1.0	-46.99	287.81	7.07	-39.92
O=C(CCC1=CC=C2OCCC2=C1)NC1=N[N-]N=N1	REAL250004578649	0	31	-1.0	-44.89	269.44	5.13	-39.76
O=C(CCC1=CC=C2OCCC2=C1)NC1=NN=N[N-]1	REAL250004578649	1	31	-1.0	-44.93	269.35	5.14	-39.79
COC1=C(F)C=CC(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004578650	0	24	-1.0	-48.27	235.90	3.36	-44.91
COC1=C(F)C=CC(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004578650	1	24	-1.0	-48.22	236.00	3.35	-44.87
COC1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578651	0	33	-1.0	-45.68	272.65	4.68	-41.00
COC1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578651	1	33	-1.0	-45.73	272.56	4.70	-41.03
O=C(NC1=NN=N[N-]1)C1=CC=NC(Br)=C1	REAL250004578652	0	19	-1.0	-40.38	204.06	2.52	-37.86
O=C(NC1=N[N-]N=N1)C1=CC=NC(Br)=C1	REAL250004578652	1	19	-1.0	-40.26	204.16	2.52	-37.74
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1Br	REAL250004578653	0	19	-1.0	-46.35	198.84	2.55	-43.80
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1Br	REAL250004578653	1	19	-1.0	-46.28	198.94	2.55	-43.73
CCOCCC1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004578654	0	36	-1.0	-45.70	286.51	4.53	-41.17
CCOCCC1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004578654	1	36	-1.0	-45.75	286.41	4.54	-41.21
O=C(NC1=NN=N[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL250004578655	0	26	-1.0	-49.54	246.83	2.52	-47.02
O=C(NC1=N[N-]N=N1)C1=CN=CC(OCC(F)F)=C1	REAL250004578655	1	26	-1.0	-49.45	246.93	2.52	-46.93
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004578656	0	32	-1.0	-42.69	279.88	6.63	-36.06
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004578656	1	32	-1.0	-42.73	279.78	6.63	-36.10
CC1=CC=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004578657	0	32	-1.0	-44.39	278.18	6.10	-38.29
CC1=CC=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004578657	1	32	-1.0	-44.34	278.28	6.09	-38.25
COC1=CC=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004578658	0	33	-1.0	-44.90	286.23	4.73	-40.17
COC1=CC=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004578658	1	33	-1.0	-44.81	286.33	4.71	-40.10
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004578659	0	29	-1.0	-44.40	256.78	5.42	-38.98
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004578659	1	29	-1.0	-44.35	256.88	5.42	-38.93
COC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1F	REAL250004578660	0	24	-1.0	-51.78	232.97	3.06	-48.72
COC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1F	REAL250004578660	1	24	-1.0	-51.70	233.07	3.05	-48.65
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CCC1	REAL250004578661	0	33	-1.0	-48.75	277.31	6.87	-41.88
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL250004578661	1	33	-1.0	-48.79	277.21	6.90	-41.89
CCCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578662	0	33	-1.0	-46.83	285.00	5.49	-41.34
CCCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578662	1	33	-1.0	-46.87	284.91	5.51	-41.36
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL250004578663	0	27	-1.0	-49.94	258.31	4.50	-45.44
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC(F)(F)F)=C1	REAL250004578663	1	27	-1.0	-49.84	258.41	4.48	-45.36
COC1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004578664	0	37	-1.0	-48.64	301.49	4.58	-44.06
COC1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004578664	1	37	-1.0	-48.72	301.40	4.61	-44.11
CC1=CC=CC(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004578665	0	32	-1.0	-44.10	278.19	6.08	-38.02
CC1=CC=CC(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004578665	1	32	-1.0	-44.10	278.29	6.08	-38.02
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004578666	0	26	-1.0	-43.38	246.69	4.49	-38.89
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004578666	1	26	-1.0	-43.32	246.79	4.48	-38.84
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL250004578667	0	24	-1.0	-48.66	242.72	3.34	-45.32
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC(OC(F)F)=C1F	REAL250004578667	1	24	-1.0	-48.61	242.82	3.33	-45.28
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004578668	0	26	-1.0	-45.03	247.79	5.57	-39.46
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004578668	1	26	-1.0	-45.11	247.70	5.59	-39.52
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1CCNC1=O	REAL250004578669	0	33	-1.0	-52.02	285.57	3.86	-48.16
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1CCNC1=O	REAL250004578669	1	33	-1.0	-51.98	285.67	3.86	-48.12
O=C(NC1=N[N-]N=N1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL250004578670	0	27	-1.0	-44.90	265.33	6.45	-38.45
O=C(NC1=NN=N[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL250004578670	1	27	-1.0	-44.95	265.24	6.46	-38.49
O=C(NC1=NN=N[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL250004578671	0	29	-1.0	-46.96	276.37	4.05	-42.91
O=C(NC1=N[N-]N=N1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL250004578671	1	29	-1.0	-46.87	276.47	4.04	-42.83
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL250004578672	0	23	-1.0	-45.50	223.96	4.92	-40.58
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C=C1C(F)(F)F	REAL250004578672	1	23	-1.0	-45.41	224.05	4.89	-40.52
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578673	0	27	-1.0	-47.88	256.02	3.23	-44.65
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578673	1	27	-1.0	-54.45	256.41	3.19	-51.26
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004578674	0	27	-1.0	-49.69	255.91	3.23	-46.46
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004578674	1	27	-1.0	-49.64	256.01	3.23	-46.41
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=N[N-]N=N1	REAL250004578675	0	34	-1.0	-43.25	290.69	3.24	-40.01
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=NN=N[N-]1	REAL250004578675	1	34	-1.0	-43.36	290.60	3.26	-40.10
O=C(CC1=CC=C(F)C=C1Cl)NC1=N[N-]N=N1	REAL250004578676	0	23	-1.0	-43.92	232.79	4.98	-38.94
O=C(CC1=CC=C(F)C=C1Cl)NC1=NN=N[N-]1	REAL250004578676	1	23	-1.0	-44.00	232.69	4.99	-39.01
O=C(CC1=CC(F)=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004578677	0	23	-1.0	-44.31	230.30	4.61	-39.70
O=C(CC1=CC(F)=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004578677	1	23	-1.0	-44.40	230.21	4.63	-39.77
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL250004578678	0	26	-1.0	-41.56	252.44	4.89	-36.67
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL250004578678	1	26	-1.0	-41.51	252.54	4.88	-36.63
COC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004578679	0	31	-1.0	-48.05	270.62	4.36	-43.69
COC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004578679	1	31	-1.0	-48.11	270.53	4.37	-43.74
CCC(OC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004578680	0	36	-1.0	-46.58	282.85	5.73	-40.85
CCC(OC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578680	1	36	-1.0	-46.63	282.76	5.74	-40.89
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004578681	0	38	-1.0	-43.65	311.60	5.46	-38.19
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004578681	1	38	-1.0	-43.65	311.51	5.48	-38.17
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(Br)S1	REAL250004578682	0	20	-1.0	-44.18	218.23	4.24	-39.94
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(Br)S1	REAL250004578682	1	20	-1.0	-44.07	218.33	4.24	-39.83
CS(=O)(=O)N1CCN(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004578683	0	33	-1.0	-52.83	282.67	-1.63	-54.46
CS(=O)(=O)N1CCN(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004578683	1	33	-1.0	-52.89	282.57	-1.62	-54.51
CCCN(CCC)C(=O)CCC(=O)NC1=N[N-]N=N1	REAL250004578684	0	38	-1.0	-43.42	314.29	5.20	-38.22
CCCN(CCC)C(=O)CCC(=O)NC1=NN=N[N-]1	REAL250004578684	1	38	-1.0	-43.55	314.19	5.21	-38.34
CC(OC1CCCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004578685	0	36	-1.0	-45.86	275.71	5.42	-40.44
CC(OC1CCCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004578685	1	36	-1.0	-45.90	275.61	5.44	-40.46
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=N[N-]N=N1	REAL250004578686	0	34	-1.0	-45.17	291.02	0.84	-44.33
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=NN=N[N-]1	REAL250004578686	1	34	-1.0	-45.18	290.93	0.86	-44.32
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004578687	0	33	-1.0	-49.74	300.95	6.09	-43.65
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004578687	1	33	-1.0	-49.77	300.85	6.11	-43.66
COC1=CC=CC(OC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578688	0	31	-1.0	-48.80	268.47	3.20	-45.60
COC1=CC=CC(OC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578688	1	31	-1.0	-48.83	268.38	3.22	-45.61
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004578689	0	30	-1.0	-55.80	270.19	5.65	-50.15
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004578689	1	30	-1.0	-55.88	270.09	5.66	-50.22
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004578690	0	34	-1.0	-53.28	287.12	1.61	-51.67
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004578690	1	34	-1.0	-53.31	287.02	1.62	-51.69
CC(C)(C)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578691	0	35	-1.0	-44.96	288.34	6.80	-38.16
CC(C)(C)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578691	1	35	-1.0	-45.03	288.25	6.81	-38.22
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004578692	0	39	-1.0	-48.40	311.96	2.79	-45.61
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004578692	1	39	-1.0	-48.44	311.87	2.80	-45.64
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CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578696	0	35	-1.0	-50.51	297.06	6.52	-43.99
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578696	1	35	-1.0	-50.46	297.16	6.51	-43.95
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CC1CCCC(OCCCCCC(=O)NC2=NN=N[N-]2)C1	REAL250004578698	1	45	-1.0	-46.08	352.73	7.29	-38.79
CCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1CC1	REAL250004578699	0	33	-1.0	-44.87	279.79	5.09	-39.78
CCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1CC1	REAL250004578699	1	33	-1.0	-44.91	279.69	5.10	-39.81
COC(=O)C1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578700	0	29	-1.0	-49.43	266.96	5.12	-44.31
COC(=O)C1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578700	1	29	-1.0	-49.55	266.87	5.14	-44.41
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004578701	0	31	-1.0	-44.35	278.66	6.29	-38.06
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004578701	1	31	-1.0	-44.28	278.76	6.29	-37.99
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CN(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004578703	0	31	-1.0	-42.64	279.94	4.01	-38.63
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004578703	1	31	-1.0	-42.72	279.85	4.02	-38.70
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CC(C)CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1CC1	REAL250004578706	0	36	-1.0	-45.38	293.29	5.35	-40.03
CC(C)CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1CC1	REAL250004578706	1	36	-1.0	-45.41	293.19	5.36	-40.05
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CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)C=C1Br	REAL250004578708	0	26	-1.0	-41.15	242.92	5.66	-35.49
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)C=C1Br	REAL250004578708	1	26	-1.0	-41.05	243.01	5.66	-35.39
COC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004578709	0	28	-1.0	-45.79	257.73	4.37	-41.42
COC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004578709	1	28	-1.0	-45.84	257.62	4.37	-41.47
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CCCCCCCCCCC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004578711	0	49	-1.0	-44.07	376.78	9.44	-34.63
CCCCCCCCCCC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004578711	1	49	-1.0	-44.15	376.69	9.45	-34.70
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004578712	0	33	-1.0	-41.53	285.97	5.79	-35.74
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CC1=CC(S(C)(=O)=O)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004578717	1	32	-1.0	-50.84	281.68	2.54	-48.30
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CCC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004578721	0	28	-1.0	-43.24	255.08	5.17	-38.07
CCC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004578721	1	28	-1.0	-43.27	254.99	5.18	-38.09
CCC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578722	0	35	-1.0	-44.41	277.74	6.60	-37.81
CCC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578722	1	35	-1.0	-44.28	277.84	6.58	-37.70
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CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004578724	0	23	-1.0	-51.91	241.49	0.31	-51.60
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004578724	1	23	-1.0	-51.82	241.59	0.30	-51.52
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004578725	0	30	-1.0	-43.94	270.85	4.88	-39.06
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004578725	1	30	-1.0	-43.96	270.75	4.90	-39.06
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=N1	REAL250004578726	0	22	-1.0	-45.99	220.54	3.16	-42.83
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COC(=O)C1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004578728	0	32	-1.0	-49.86	280.06	5.70	-44.16
COC(=O)C1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004578728	1	32	-1.0	-49.90	279.96	5.71	-44.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL250004578729	0	23	-1.0	-45.64	225.08	5.10	-40.54
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL250004578729	1	23	-1.0	-45.55	225.17	5.08	-40.47
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CC(C)(C)OC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004578731	0	32	-1.0	-44.80	268.80	4.08	-40.72
CC(C)(C)OC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004578731	1	32	-1.0	-44.70	268.89	4.07	-40.63
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CC(C)CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C(F)F	REAL250004578733	0	32	-1.0	-40.79	280.31	4.62	-36.17
CC(C)CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C(F)F	REAL250004578733	1	32	-1.0	-40.84	280.21	4.63	-36.21
CC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004578734	0	26	-1.0	-40.11	235.71	4.95	-35.16
CC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004578734	1	26	-1.0	-40.15	235.62	4.97	-35.18
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004578735	0	26	-1.0	-43.63	249.36	5.64	-37.99
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004578735	1	26	-1.0	-43.70	249.26	5.66	-38.04
CC(C)C1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004578736	0	36	-1.0	-47.92	305.05	6.49	-41.43
CC(C)C1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004578736	1	36	-1.0	-47.91	305.15	6.49	-41.42
CSCC1=NOC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004578737	0	28	-1.0	-44.43	269.84	1.92	-42.51
CSCC1=NOC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004578737	1	28	-1.0	-44.49	269.74	1.94	-42.55
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CNC(=O)COC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578739	0	34	-1.0	-56.78	302.17	3.32	-53.46
CNC(=O)COC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578739	1	34	-1.0	-56.88	302.07	3.34	-53.54
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL250004578740	0	33	-1.0	-48.10	286.04	5.48	-42.62
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL250004578740	1	33	-1.0	-47.98	286.14	5.48	-42.50
CC1=C(C(=O)NC2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL250004578741	0	32	-1.0	-51.61	268.77	6.93	-44.68
CC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL250004578741	1	32	-1.0	-51.60	268.87	6.92	-44.68
COCCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004578742	0	34	-1.0	-48.85	297.13	3.97	-44.88
COCCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578742	1	34	-1.0	-48.92	297.04	3.99	-44.93
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL250004578743	0	23	-1.0	-42.33	239.23	5.22	-37.11
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL250004578743	1	23	-1.0	-42.22	239.33	5.20	-37.02
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578744	0	41	-1.0	-45.25	319.38	7.71	-37.54
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578744	1	41	-1.0	-45.33	319.29	7.73	-37.60
CC1=C(CC(=O)NC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004578745	0	28	-1.0	-48.66	251.97	5.52	-43.14
CC1=C(CC(=O)NC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004578745	1	28	-1.0	-48.73	251.88	5.53	-43.20
CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004578746	0	28	-1.0	-45.71	250.09	4.79	-40.92
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004578746	1	28	-1.0	-45.67	250.18	4.78	-40.89
CC(C)COC1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004578747	0	37	-1.0	-49.98	314.01	6.04	-43.94
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CCS(=O)(=O)C1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004578921	1	32	-1.0	-56.29	294.22	2.90	-53.39
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CCSC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578922	1	27	-1.0	-44.27	261.40	6.17	-38.10
CCC(C(=O)NC1=N[N-]N=N1)C1CCC(C)CC1	REAL250004578923	0	38	-1.0	-45.28	283.80	6.33	-38.95
CCC(C(=O)NC1=NN=N[N-]1)C1CCC(C)CC1	REAL250004578923	1	38	-1.0	-45.31	283.72	6.35	-38.96
CC(C)CN1N=C(C(=O)NC2=N[N-]N=N2)CCC1=O	REAL250004578924	0	33	-1.0	-39.76	280.24	3.48	-36.28
CC(C)CN1N=C(C(=O)NC2=NN=N[N-]2)CCC1=O	REAL250004578924	1	33	-1.0	-39.81	280.14	3.49	-36.32
CC1=CC(C)=C(Br)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578925	0	26	-1.0	-45.75	243.26	5.66	-40.09
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COCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004578926	0	34	-1.0	-47.20	295.16	4.62	-42.58
COCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004578926	1	34	-1.0	-47.17	295.26	4.60	-42.57
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COC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Cl	REAL250004578930	0	23	-1.0	-44.57	230.40	1.86	-42.71
COC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Cl	REAL250004578930	1	23	-1.0	-44.48	230.50	1.86	-42.62
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CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004578932	0	31	-1.0	-48.83	273.27	6.07	-42.76
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004578932	1	31	-1.0	-48.91	273.18	6.08	-42.83
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004578933	0	34	-1.0	-48.18	292.27	7.14	-41.04
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004578933	1	34	-1.0	-48.21	292.18	7.17	-41.04
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL250004578934	0	27	-1.0	-43.98	258.54	5.02	-38.96
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL250004578934	1	27	-1.0	-43.90	258.64	5.01	-38.89
CCC1CCCCC1OCC(=O)NC1=N[N-]N=N1	REAL250004578935	0	36	-1.0	-47.56	284.73	5.82	-41.74
CCC1CCCCC1OCC(=O)NC1=NN=N[N-]1	REAL250004578935	1	36	-1.0	-47.63	284.63	5.82	-41.81
COC1=CC=C(C(=O)C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004578936	0	26	-1.0	-37.45	253.41	3.49	-33.96
COC1=CC=C(C(=O)C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004578936	1	26	-1.0	-37.53	253.32	3.50	-34.03
CN1C=C(N2C=C(C(=O)NC3=NN=N[N-]3)C=CC2=O)C=N1	REAL250004578937	0	30	-1.0	-45.01	267.53	3.63	-41.38
CN1C=C(N2C=C(C(=O)NC3=N[N-]N=N3)C=CC2=O)C=N1	REAL250004578937	1	30	-1.0	-44.89	267.63	3.62	-41.27
C=CCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578938	0	32	-1.0	-50.26	278.86	5.12	-45.14
C=CCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578938	1	32	-1.0	-50.16	278.96	5.12	-45.04
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O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004578940	1	32	-1.0	-46.52	293.68	7.08	-39.44
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004578941	0	24	-1.0	-48.30	235.09	0.49	-47.81
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004578941	1	24	-1.0	-48.24	235.19	0.47	-47.77
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004578942	0	27	-1.0	-45.92	265.79	6.44	-39.48
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004578942	1	27	-1.0	-45.96	265.69	6.44	-39.52
CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578943	0	23	-1.0	-42.43	230.11	5.09	-37.34
CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578943	1	23	-1.0	-42.40	230.20	5.07	-37.33
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004578944	0	28	-1.0	-41.69	261.32	5.71	-35.98
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004578944	1	28	-1.0	-41.75	261.22	5.73	-36.02
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CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004578946	0	20	-1.0	-43.51	209.92	2.01	-41.50
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004578946	1	20	-1.0	-43.47	210.02	1.99	-41.48
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL250004578947	0	33	-1.0	-42.01	280.63	3.68	-38.33
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCCC2)N=C1	REAL250004578947	1	33	-1.0	-41.93	280.73	3.66	-38.27
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004578948	0	37	-1.0	-45.53	308.86	2.69	-42.84
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004578948	1	37	-1.0	-45.59	308.77	2.70	-42.89
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1N1CCCC1	REAL250004578949	0	31	-1.0	-46.11	258.95	3.61	-42.50
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1N1CCCC1	REAL250004578949	1	31	-1.0	-46.06	259.04	3.60	-42.46
O=C(NC1=N[N-]N=N1)C1=C(C2CCCC2)N=CS1	REAL250004578950	0	29	-1.0	-43.69	255.91	4.21	-39.48
O=C(NC1=NN=N[N-]1)C1=C(C2CCCC2)N=CS1	REAL250004578950	1	29	-1.0	-43.83	256.00	4.24	-39.59
CC1=NC(C(=O)NC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004578951	0	29	-1.0	-46.30	265.29	2.96	-43.34
CC1=NC(C(=O)NC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004578951	1	29	-1.0	-46.24	265.40	2.95	-43.29
CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004578952	0	26	-1.0	-46.06	238.98	5.55	-40.51
CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004578952	1	26	-1.0	-46.02	239.08	5.52	-40.50
CC(C)C1CC(CC(=O)NC2=N[N-]N=N2)CCO1	REAL250004578953	0	36	-1.0	-43.68	282.03	4.47	-39.21
CC(C)C1CC(CC(=O)NC2=NN=N[N-]2)CCO1	REAL250004578953	1	36	-1.0	-43.75	281.94	4.48	-39.27
CC1(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)COC1	REAL250004578954	0	30	-1.0	-46.90	263.51	0.86	-46.04
CC1(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)COC1	REAL250004578954	1	30	-1.0	-46.80	263.61	0.84	-45.96
COC1=CC2=C(C=C1C(=O)NC1=NN=N[N-]1)OCO2	REAL250004578955	0	27	-1.0	-47.44	240.72	2.98	-44.46
COC1=CC2=C(C=C1C(=O)NC1=N[N-]N=N1)OCO2	REAL250004578955	1	27	-1.0	-47.39	240.82	2.98	-44.41
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1N1C=NN=N1	REAL250004578956	0	29	-1.0	-47.55	262.73	3.54	-44.01
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1N1C=NN=N1	REAL250004578956	1	29	-1.0	-47.49	262.83	3.52	-43.97
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004578957	0	36	-1.0	-44.46	292.11	5.49	-38.97
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004578957	1	36	-1.0	-44.56	292.01	5.51	-39.05
COC1=CC=C(CC(C)C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004578958	0	37	-1.0	-45.46	307.65	4.95	-40.51
COC1=CC=C(CC(C)C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004578958	1	37	-1.0	-45.53	307.56	4.97	-40.56
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL250004578959	0	37	-1.0	-43.12	299.83	4.84	-38.28
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL250004578959	1	37	-1.0	-43.04	299.93	4.81	-38.23
CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)S2)O1	REAL250004578960	0	27	-1.0	-44.17	264.04	5.54	-38.63
CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)S2)O1	REAL250004578960	1	27	-1.0	-44.09	264.15	5.54	-38.55
CN1C=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=N1	REAL250004578961	0	29	-1.0	-49.82	265.46	5.92	-43.90
CN1C=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=N1	REAL250004578961	1	29	-1.0	-49.70	265.56	5.91	-43.79
CN1C=C(C2=CC=C(F)C(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004578962	0	30	-1.0	-54.50	272.00	5.20	-49.30
CN1C=C(C2=CC=C(F)C(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004578962	1	30	-1.0	-54.44	272.10	5.17	-49.27
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004578963	0	34	-1.0	-53.28	303.13	3.30	-49.98
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004578963	1	34	-1.0	-53.37	303.04	3.31	-50.06
CC1=C(C(=O)NC2=NN=N[N-]2)C(C)N2N=CN=C2N1C	REAL250004578964	0	32	-1.0	-44.62	269.92	6.75	-37.87
CC1=C(C(=O)NC2=N[N-]N=N2)C(C)N2N=CN=C2N1C	REAL250004578964	1	32	-1.0	-44.55	270.02	6.75	-37.80
O=C(NC1=N[N-]N=N1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004578965	0	31	-1.0	-43.69	269.84	6.96	-36.73
O=C(NC1=NN=N[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004578965	1	31	-1.0	-43.75	269.75	6.97	-36.78
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004578966	0	28	-1.0	-43.88	256.30	5.68	-38.20
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004578966	1	28	-1.0	-43.94	256.21	5.70	-38.24
COC1=CC=C2CCC(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004578967	0	31	-1.0	-47.69	259.55	5.02	-42.67
COC1=CC=C2CCC(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004578967	1	31	-1.0	-47.77	259.46	5.03	-42.74
COC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)C2	REAL250004578968	0	33	-1.0	-48.79	276.41	4.82	-43.97
COC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)C2	REAL250004578968	1	33	-1.0	-48.83	276.32	4.83	-44.00
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004578969	0	38	-1.0	-45.21	311.10	5.80	-39.41
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004578969	1	38	-1.0	-45.29	311.00	5.82	-39.47
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004578970	0	25	-1.0	-55.46	238.15	4.02	-51.44
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004578970	1	25	-1.0	-55.41	238.25	4.01	-51.40
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004578971	0	32	-1.0	-49.31	275.16	5.28	-44.03
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004578971	1	32	-1.0	-49.21	275.26	5.28	-43.93
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=NN=N[N-]2)=C1F	REAL250004578972	0	25	-1.0	-44.43	240.43	5.20	-39.23
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=N[N-]N=N2)=C1F	REAL250004578972	1	25	-1.0	-44.39	240.53	5.17	-39.22
CCCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1CC	REAL250004578973	0	35	-1.0	-45.02	290.03	5.01	-40.01
CCCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1CC	REAL250004578973	1	35	-1.0	-45.11	289.94	5.03	-40.08
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004578975	0	38	-1.0	-44.62	307.60	5.52	-39.10
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004578975	1	38	-1.0	-44.77	307.51	5.55	-39.22
CN1N=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004578976	0	20	-1.0	-38.51	209.41	2.04	-36.47
CN1N=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004578976	1	20	-1.0	-38.40	209.51	2.04	-36.36
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL250004578977	0	23	-1.0	-37.90	235.04	4.84	-33.06
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL250004578977	1	23	-1.0	-37.85	235.14	4.83	-33.02
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578978	0	38	-1.0	-44.61	309.24	7.70	-36.91
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578978	1	38	-1.0	-44.68	309.15	7.72	-36.96
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=C1F	REAL250004578979	0	20	-1.0	-48.83	212.55	4.47	-44.36
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=C1F	REAL250004578979	1	20	-1.0	-48.80	212.65	4.46	-44.34
COCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004578980	0	34	-1.0	-47.81	297.13	3.97	-43.84
COCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004578980	1	34	-1.0	-47.88	297.04	3.99	-43.89
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)S1	REAL250004578981	0	19	-1.0	-37.53	216.67	3.30	-34.23
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)S1	REAL250004578981	1	19	-1.0	-37.56	216.58	3.32	-34.24
COC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004578982	0	30	-1.0	-45.98	249.66	4.20	-41.78
COC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004578982	1	30	-1.0	-46.05	249.57	4.21	-41.84
O=C(NC1=NN=N[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL250004578983	0	32	-1.0	-42.17	293.37	2.68	-39.49
O=C(NC1=N[N-]N=N1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL250004578983	1	32	-1.0	-42.09	293.47	2.68	-39.41
CC1=C(Br)C=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004578984	0	26	-1.0	-44.66	247.00	5.46	-39.20
CC1=C(Br)C=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004578984	1	26	-1.0	-44.67	246.90	5.48	-39.19
CCC1=NN(C)C(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578985	0	35	-1.0	-48.53	297.02	4.70	-43.83
CCC1=NN(C)C(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578985	1	35	-1.0	-48.62	296.93	4.72	-43.90
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004578986	0	30	-1.0	-43.65	276.00	5.29	-38.36
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004578986	1	30	-1.0	-43.76	275.91	5.30	-38.46
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C(F)C=C1Cl	REAL250004578987	0	20	-1.0	-41.68	229.08	4.59	-37.09
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C(F)C=C1Cl	REAL250004578987	1	20	-1.0	-41.61	229.17	4.58	-37.03
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(Br)S1	REAL250004578988	0	19	-1.0	-42.51	213.42	2.20	-40.31
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(Br)S1	REAL250004578988	1	19	-1.0	-42.46	213.52	2.19	-40.27
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1C(F)(F)F	REAL250004578989	0	22	-1.0	-45.68	213.12	3.04	-42.64
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1C(F)(F)F	REAL250004578989	1	22	-1.0	-45.64	213.21	3.03	-42.61
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004578990	0	27	-1.0	-45.38	254.43	5.44	-39.94
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004578990	1	27	-1.0	-45.43	254.34	5.46	-39.97
O=C(CCOCC(F)(F)C(F)(F)F)NC1=N[N-]N=N1	REAL250004578991	0	26	-1.0	-41.73	257.56	3.12	-38.61
O=C(CCOCC(F)(F)C(F)(F)F)NC1=NN=N[N-]1	REAL250004578991	1	26	-1.0	-41.84	257.46	3.13	-38.71
O=C(NC1=N[N-]N=N1)C1C2CCC(O2)C1C(F)(F)F	REAL250004578992	0	28	-1.0	-53.37	238.63	3.32	-50.05
O=C(NC1=NN=N[N-]1)C1C2CCC(O2)C1C(F)(F)F	REAL250004578992	1	28	-1.0	-53.50	238.53	3.34	-50.16
O=C(NC1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250004578993	0	23	-1.0	-47.08	231.81	2.93	-44.15
O=C(NC1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL250004578993	1	23	-1.0	-47.00	231.91	2.92	-44.08
CC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004578994	0	30	-1.0	-46.83	256.68	3.59	-43.24
CC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004578994	1	30	-1.0	-46.75	256.78	3.59	-43.16
CC(=O)NC1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004578995	0	30	-1.0	-46.97	259.31	3.38	-43.59
CC(=O)NC1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004578995	1	30	-1.0	-46.90	259.41	3.37	-43.53
CC(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004578996	0	29	-1.0	-42.14	261.21	6.15	-35.99
CC(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004578996	1	29	-1.0	-42.08	261.31	6.14	-35.94
CCCN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004578997	0	33	-1.0	-44.07	282.30	6.99	-37.08
CCCN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004578997	1	33	-1.0	-43.95	282.39	6.98	-36.97
O=C(CC1CCC2(CC1)OCCO2)NC1=N[N-]N=N1	REAL250004578998	0	35	-1.0	-46.08	277.47	3.62	-42.46
O=C(CC1CCC2(CC1)OCCO2)NC1=NN=N[N-]1	REAL250004578998	1	35	-1.0	-46.17	277.38	3.63	-42.54
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL250004578999	0	30	-1.0	-45.58	276.87	6.52	-39.06
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL250004578999	1	30	-1.0	-45.65	276.77	6.53	-39.12
COC1C2CC3CC1CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL250004579000	0	38	-1.0	-47.59	282.69	4.85	-42.74
COC1C2CC3CC1CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004579000	1	38	-1.0	-47.67	282.59	4.85	-42.82
CN1C=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579001	0	30	-1.0	-54.53	270.17	2.90	-51.63
CN1C=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579001	1	30	-1.0	-54.43	270.26	2.88	-51.55
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004579002	0	33	-1.0	-49.43	289.00	6.73	-42.70
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004579002	1	33	-1.0	-49.36	289.10	6.71	-42.65
CCCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004579003	0	29	-1.0	-42.12	264.35	6.37	-35.75
CCCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004579003	1	29	-1.0	-42.08	264.44	6.36	-35.72
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL250004579004	0	26	-1.0	-43.11	261.43	4.03	-39.08
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL250004579004	1	26	-1.0	-43.05	261.53	4.01	-39.04
COC1=CC=C(SCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579005	0	34	-1.0	-47.98	303.31	5.79	-42.19
COC1=CC=C(SCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579005	1	34	-1.0	-48.11	303.22	5.81	-42.30
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CN=C1Cl	REAL250004579006	0	22	-1.0	-40.68	234.19	3.47	-37.21
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CN=C1Cl	REAL250004579006	1	22	-1.0	-40.63	234.29	3.46	-37.17
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004579007	0	34	-1.0	-57.63	282.72	3.90	-53.73
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004579007	1	34	-1.0	-57.68	282.63	3.91	-53.77
CC1C(C(=O)NC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL250004579008	0	40	-1.0	-48.36	314.76	4.49	-43.87
CC1C(C(=O)NC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL250004579008	1	40	-1.0	-48.44	314.64	4.51	-43.93
CC1=CC=C(Br)N=C1C(=O)NC1=NN=N[N-]1	REAL250004579009	0	22	-1.0	-44.30	222.14	3.27	-41.03
CC1=CC=C(Br)N=C1C(=O)NC1=N[N-]N=N1	REAL250004579009	1	22	-1.0	-44.21	222.23	3.25	-40.96
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC=C1Cl	REAL250004579010	0	19	-1.0	-39.44	212.17	2.95	-36.49
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC=C1Cl	REAL250004579010	1	19	-1.0	-39.37	212.26	2.95	-36.42
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2F)CC1	REAL250004579011	0	30	-1.0	-45.77	268.90	6.46	-39.31
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250004579011	1	30	-1.0	-45.90	268.91	6.46	-39.44
COC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1OC	REAL250004579012	0	28	-1.0	-51.22	258.88	3.17	-48.05
COC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1OC	REAL250004579012	1	28	-1.0	-51.15	258.96	3.17	-47.98
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004579013	0	33	-1.0	-44.51	267.75	6.43	-38.08
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004579013	1	33	-1.0	-44.50	267.85	6.43	-38.07
COC1=CC=C(OC)C(C2CC2C(=O)NC2=N[N-]N=N2)=C1	REAL250004579014	0	35	-1.0	-48.37	297.92	4.45	-43.92
COC1=CC=C(OC)C(C2CC2C(=O)NC2=NN=N[N-]2)=C1	REAL250004579014	1	35	-1.0	-48.49	297.82	4.47	-44.02
COC1=CC(C(=O)NC2=NN=N[N-]2)=CN=C1Br	REAL250004579015	0	23	-1.0	-40.10	232.63	1.87	-38.23
COC1=CC(C(=O)NC2=N[N-]N=N2)=CN=C1Br	REAL250004579015	1	23	-1.0	-40.00	232.73	1.87	-38.13
COCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579016	0	35	-1.0	-53.15	299.58	3.77	-49.38
COCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579016	1	35	-1.0	-53.10	299.68	3.77	-49.33
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OCC2CC2)=C1	REAL250004579017	0	35	-1.0	-50.59	297.63	6.11	-44.48
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OCC2CC2)=C1	REAL250004579017	1	35	-1.0	-50.51	297.73	6.11	-44.40
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL250004579018	0	29	-1.0	-50.26	261.25	5.90	-44.36
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL250004579018	1	29	-1.0	-50.34	261.16	5.91	-44.43
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004579019	0	26	-1.0	-47.16	251.43	4.64	-42.52
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004579019	1	26	-1.0	-47.04	251.53	4.64	-42.40
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)N=C1C(F)(F)F	REAL250004579020	0	22	-1.0	-45.61	233.32	3.47	-42.14
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)N=C1C(F)(F)F	REAL250004579020	1	22	-1.0	-45.54	233.42	3.45	-42.09
CC(C)(CC(=O)NC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004579021	0	35	-1.0	-44.84	294.63	7.30	-37.54
CC(C)(CC(=O)NC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004579021	1	35	-1.0	-44.95	294.54	7.31	-37.64
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL250004579022	0	23	-1.0	-45.24	234.29	5.35	-39.89
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL250004579022	1	23	-1.0	-45.18	234.38	5.33	-39.85
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004579023	0	26	-1.0	-47.84	246.68	4.55	-43.29
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004579023	1	26	-1.0	-47.82	246.78	4.54	-43.28
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004579024	0	38	-1.0	-46.65	309.35	3.45	-43.20
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004579024	1	38	-1.0	-46.70	309.25	3.45	-43.25
COC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004579025	0	31	-1.0	-47.54	282.19	4.35	-43.19
COC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004579025	1	31	-1.0	-47.48	282.29	4.34	-43.14
CC1=CC2=C(C=C1C)C(C(=O)NC1=N[N-]N=N1)CO2	REAL250004579026	0	31	-1.0	-45.16	262.65	4.66	-40.50
CC1=CC2=C(C=C1C)C(C(=O)NC1=NN=N[N-]1)CO2	REAL250004579026	1	31	-1.0	-45.24	262.56	4.67	-40.57
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=N1	REAL250004579027	0	23	-1.0	-46.11	223.88	1.61	-44.50
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=N1	REAL250004579027	1	23	-1.0	-46.05	223.98	1.60	-44.45
CC1=C(Br)SC=C1C(=O)NC1=NN=N[N-]1	REAL250004579028	0	20	-1.0	-42.38	215.31	4.08	-38.30
CC1=C(Br)SC=C1C(=O)NC1=N[N-]N=N1	REAL250004579028	1	20	-1.0	-42.32	215.41	4.07	-38.25
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004579029	0	26	-1.0	-40.42	246.15	4.44	-35.98
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004579029	1	26	-1.0	-40.36	246.24	4.44	-35.92
CC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N=C1C	REAL250004579030	0	30	-1.0	-41.54	257.81	3.82	-37.72
CC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N=C1C	REAL250004579030	1	30	-1.0	-41.47	257.90	3.81	-37.66
O=C(NC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004579031	0	30	-1.0	-49.92	274.32	5.47	-44.45
O=C(NC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004579031	1	30	-1.0	-49.88	274.43	5.46	-44.42
C=CCSC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579032	0	28	-1.0	-48.45	257.40	6.23	-42.22
C=CCSC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579032	1	28	-1.0	-48.45	257.50	6.22	-42.23
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004579033	0	26	-1.0	-44.89	251.64	5.65	-39.24
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004579033	1	26	-1.0	-44.92	251.55	5.67	-39.25
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004579034	0	30	-1.0	-48.80	269.89	6.44	-42.36
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004579034	1	30	-1.0	-48.86	269.83	6.46	-42.40
CSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004579035	0	26	-1.0	-60.46	253.94	6.66	-53.80
CSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004579035	1	26	-1.0	-60.40	254.04	6.64	-53.76
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004579036	0	23	-1.0	-41.66	231.66	4.86	-36.80
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004579036	1	23	-1.0	-41.61	231.75	4.85	-36.76
CC(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004579037	0	31	-1.0	-47.24	272.40	6.30	-40.94
CC(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004579037	1	31	-1.0	-47.20	272.50	6.28	-40.92
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004579038	0	30	-1.0	-44.75	275.95	6.86	-37.89
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004579038	1	30	-1.0	-44.82	275.89	6.87	-37.95
O=C(CSCC(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004579039	0	29	-1.0	-54.74	276.63	5.71	-49.03
O=C(CSCC(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004579039	1	29	-1.0	-54.86	276.54	5.71	-49.15
O=C(NC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL250004579040	0	19	-1.0	-43.01	215.65	1.91	-41.10
O=C(NC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL250004579040	1	19	-1.0	-42.96	215.75	1.90	-41.06
CN(C)C1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1	REAL250004579041	0	34	-1.0	-44.31	284.69	5.67	-38.64
CN(C)C1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1	REAL250004579041	1	34	-1.0	-44.43	284.59	5.68	-38.75
COCCOC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579042	0	35	-1.0	-48.92	306.99	4.48	-44.44
COCCOC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004579042	1	35	-1.0	-49.05	306.89	4.49	-44.56
CC(C(=O)NC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004579043	0	33	-1.0	-46.63	284.34	6.84	-39.79
CC(C(=O)NC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004579043	1	33	-1.0	-46.61	284.43	6.82	-39.79
COC1=CC(C)=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004579044	0	27	-1.0	-42.84	248.87	4.34	-38.50
COC1=CC(C)=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004579044	1	27	-1.0	-42.76	248.97	4.33	-38.43
CC1=COC(C2=CC=CC=C2)=C1C(=O)NC1=NN=N[N-]1	REAL250004579045	0	30	-1.0	-49.63	269.42	5.97	-43.66
CC1=COC(C2=CC=CC=C2)=C1C(=O)NC1=N[N-]N=N1	REAL250004579045	1	30	-1.0	-49.52	269.52	5.97	-43.55
CCOC1=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004579046	0	34	-1.0	-51.39	293.96	4.80	-46.59
CCOC1=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004579046	1	34	-1.0	-51.36	294.05	4.79	-46.57
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC2CC2)=N1	REAL250004579047	0	29	-1.0	-41.97	266.71	4.59	-37.38
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC2CC2)=N1	REAL250004579047	1	29	-1.0	-42.11	266.60	4.60	-37.51
CC1=C(C)C=C2C(C(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004579048	0	29	-1.0	-49.28	255.09	5.36	-43.92
CC1=C(C)C=C2C(C(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004579048	1	29	-1.0	-49.16	255.19	5.35	-43.81
O=C(NC1=N[N-]N=N1)C1CC12CCS(=O)(=O)CC2	REAL250004579049	0	30	-1.0	-53.66	261.97	1.33	-52.33
O=C(NC1=NN=N[N-]1)C1CC12CCS(=O)(=O)CC2	REAL250004579049	1	30	-1.0	-53.78	261.87	1.34	-52.44
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004579050	0	24	-1.0	-40.23	242.22	2.84	-37.39
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004579050	1	24	-1.0	-40.37	242.13	2.85	-37.52
CC(C)(C)C1=CN=C(CCC(=O)NC2=N[N-]N=N2)O1	REAL250004579051	0	34	-1.0	-44.51	292.03	2.74	-41.77
CC(C)(C)C1=CN=C(CCC(=O)NC2=NN=N[N-]2)O1	REAL250004579051	1	34	-1.0	-44.53	291.94	2.75	-41.78
COCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004579052	0	31	-1.0	-47.83	284.81	3.83	-44.00
COCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004579052	1	31	-1.0	-47.76	284.90	3.83	-43.93
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004579053	0	32	-1.0	-46.94	293.77	7.06	-39.88
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004579053	1	32	-1.0	-47.03	293.68	7.07	-39.96
O=C(NC1=NN=N[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL250004579054	0	26	-1.0	-42.20	255.05	5.38	-36.82
O=C(NC1=N[N-]N=N1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL250004579054	1	26	-1.0	-42.15	255.15	5.38	-36.77
CCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004579055	0	33	-1.0	-44.45	294.18	6.13	-38.32
CCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004579055	1	33	-1.0	-44.37	294.27	6.14	-38.23
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579056	0	32	-1.0	-52.35	286.91	2.82	-49.53
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579056	1	32	-1.0	-52.23	287.01	2.80	-49.43
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CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579058	0	30	-1.0	-45.87	278.88	-0.14	-46.01
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579058	1	30	-1.0	-45.77	278.98	-0.14	-45.91
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004579059	0	23	-1.0	-44.75	227.27	3.84	-40.91
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004579059	1	23	-1.0	-44.68	227.37	3.83	-40.85
CCSCC1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004579060	0	26	-1.0	-43.56	254.33	3.99	-39.57
CCSCC1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004579060	1	26	-1.0	-43.62	254.24	4.00	-39.62
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O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL250004579062	1	33	-1.0	-47.20	284.31	6.87	-40.33
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004579063	0	36	-1.0	-45.56	303.78	7.03	-38.53
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004579063	1	36	-1.0	-45.45	303.90	7.02	-38.43
CC(C)(C)OCC1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004579064	0	32	-1.0	-42.96	277.97	3.06	-39.90
CC(C)(C)OCC1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004579064	1	32	-1.0	-43.01	277.87	3.07	-39.94
O=C(NC1=N[N-]N=N1)C1(CCOCC2=CC=CC=C2)CC1	REAL250004579065	0	37	-1.0	-46.80	320.41	6.51	-40.29
O=C(NC1=NN=N[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL250004579065	1	37	-1.0	-46.88	320.32	6.52	-40.36
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004579066	0	28	-1.0	-50.35	256.00	5.31	-45.04
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004579066	1	28	-1.0	-50.31	256.10	5.31	-45.00
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004579067	0	36	-1.0	-44.89	307.76	8.70	-36.19
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004579067	1	36	-1.0	-44.92	307.67	8.71	-36.21
O=C(CCCCCC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004579068	0	35	-1.0	-46.55	304.45	7.70	-38.85
O=C(CCCCCC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004579068	1	35	-1.0	-46.58	304.36	7.71	-38.87
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL250004579069	0	23	-1.0	-40.46	242.84	5.32	-35.14
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL250004579069	1	23	-1.0	-40.38	242.94	5.30	-35.08
CC12CC3(C)CC(C)(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004579070	0	43	-1.0	-44.39	312.84	7.19	-37.20
CC12CC3(C)CC(C)(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004579070	1	43	-1.0	-44.47	312.75	7.19	-37.28
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=C1Cl	REAL250004579071	0	28	-1.0	-47.23	261.19	4.24	-42.99
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=C1Cl	REAL250004579071	1	28	-1.0	-47.11	261.27	4.24	-42.87
CCCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579072	0	37	-1.0	-49.93	308.95	6.11	-43.82
CCCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579072	1	37	-1.0	-49.83	309.05	6.11	-43.72
COC1=CC=C(F)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004579073	0	27	-1.0	-46.24	246.87	3.89	-42.35
COC1=CC=C(F)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004579073	1	27	-1.0	-46.32	246.77	3.91	-42.41
O=C(CC1(CSC2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL250004579074	0	34	-1.0	-45.74	299.72	7.64	-38.10
O=C(CC1(CSC2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL250004579074	1	34	-1.0	-45.80	299.63	7.65	-38.15
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004579075	0	30	-1.0	-48.66	267.21	5.65	-43.01
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004579075	1	30	-1.0	-48.55	267.31	5.63	-42.92
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004579076	0	26	-1.0	-45.35	249.29	2.28	-43.07
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004579076	1	26	-1.0	-45.26	249.39	2.27	-42.99
CCN1C=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579077	0	33	-1.0	-54.52	291.66	3.78	-50.74
CCN1C=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579077	1	33	-1.0	-54.43	291.75	3.76	-50.67
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004579078	0	31	-1.0	-45.75	271.35	5.64	-40.11
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004579078	1	31	-1.0	-45.73	271.44	5.63	-40.10
COC(=O)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579079	0	29	-1.0	-50.89	264.36	5.23	-45.66
COC(=O)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579079	1	29	-1.0	-50.80	264.46	5.22	-45.58
COC1=CC2=CC=C([C@H](C)C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004579080	0	36	-1.0	-48.13	303.32	6.56	-41.57
COC1=CC2=CC=C([C@H](C)C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004579080	1	36	-1.0	-48.21	303.22	6.58	-41.63
CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004579081	0	34	-1.0	-45.65	293.35	5.96	-39.69
CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004579081	1	34	-1.0	-45.75	293.25	5.96	-39.79
CC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004579082	0	37	-1.0	-45.49	311.27	6.58	-38.91
CC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004579082	1	37	-1.0	-45.54	311.17	6.58	-38.96
O=C(NC1=N[N-]N=N1)C1=COC(C2CCCCC2)=N1	REAL250004579083	0	32	-1.0	-42.49	272.44	2.40	-40.09
O=C(NC1=NN=N[N-]1)C1=COC(C2CCCCC2)=N1	REAL250004579083	1	32	-1.0	-42.55	272.35	2.41	-40.14
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NC1=NN=N[N-]1	REAL250004579084	0	30	-1.0	-54.01	270.54	3.92	-50.09
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NC1=N[N-]N=N1	REAL250004579084	1	30	-1.0	-53.96	270.64	3.91	-50.05
CC1=CN(C2=C(C(=O)NC3=NN=N[N-]3)C(C)=NN2C)N=C1	REAL250004579085	0	33	-1.0	-53.74	292.43	4.60	-49.14
CC1=CN(C2=C(C(=O)NC3=N[N-]N=N3)C(C)=NN2C)N=C1	REAL250004579085	1	33	-1.0	-53.68	292.53	4.59	-49.09
C=CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004579086	0	33	-1.0	-44.53	284.06	6.99	-37.54
C=CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004579086	1	33	-1.0	-44.44	284.15	6.98	-37.46
N#CC1=CC=CC(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL250004579087	0	28	-1.0	-54.35	269.62	5.36	-48.99
N#CC1=CC=CC(N2C=CC(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL250004579087	1	28	-1.0	-54.26	269.72	5.36	-48.90
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004579088	0	36	-1.0	-42.17	312.06	4.62	-37.55
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004579088	1	36	-1.0	-42.23	311.97	4.64	-37.59
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004579089	0	30	-1.0	-47.50	273.61	5.71	-41.79
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004579089	1	30	-1.0	-47.43	273.71	5.70	-41.73
O=C(NC1=N[N-]N=N1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL250004579090	0	26	-1.0	-43.74	254.61	5.51	-38.23
O=C(NC1=NN=N[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL250004579090	1	26	-1.0	-43.81	254.51	5.52	-38.29
CCC(C)(C)C1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004579091	0	44	-1.0	-43.59	307.97	7.01	-36.58
CCC(C)(C)C1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004579091	1	44	-1.0	-43.66	307.87	7.02	-36.64
COC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004579092	0	29	-1.0	-49.74	260.86	3.30	-46.44
COC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004579092	1	29	-1.0	-49.68	260.96	3.29	-46.39
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004579093	0	29	-1.0	-43.91	266.81	6.02	-37.89
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004579093	1	29	-1.0	-43.96	266.72	6.04	-37.92
CC1=CC=C2OC(C(=O)NC3=N[N-]N=N3)CCC2=C1	REAL250004579094	0	31	-1.0	-47.71	265.55	6.11	-41.60
CC1=CC=C2OC(C(=O)NC3=NN=N[N-]3)CCC2=C1	REAL250004579094	1	31	-1.0	-47.79	265.46	6.13	-41.66
CCN1N=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C21	REAL250004579095	0	31	-1.0	-43.77	269.96	4.49	-39.28
CCN1N=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C21	REAL250004579095	1	31	-1.0	-43.73	270.06	4.49	-39.24
COC1=C(C(=O)NC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004579096	0	26	-1.0	-49.61	240.37	5.38	-44.23
COC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004579096	1	26	-1.0	-49.58	240.44	5.37	-44.21
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004579097	0	33	-1.0	-44.54	277.51	7.04	-37.50
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004579097	1	33	-1.0	-44.64	277.42	7.06	-37.58
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COCCOC1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579099	0	30	-1.0	-46.40	267.44	1.47	-44.93
COCCOC1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579099	1	30	-1.0	-46.35	267.54	1.47	-44.88
CCOC(=O)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579100	0	30	-1.0	-45.19	275.84	5.73	-39.46
CCOC(=O)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579100	1	30	-1.0	-45.09	275.94	5.73	-39.36
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004579101	0	30	-1.0	-42.96	274.98	5.01	-37.95
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004579101	1	30	-1.0	-42.88	275.08	5.01	-37.87
CC1=CC=CC(OC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=C1	REAL250004579102	0	34	-1.0	-53.10	297.05	8.49	-44.61
CC1=CC=CC(OC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=C1	REAL250004579102	1	34	-1.0	-53.07	297.15	8.47	-44.60
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C[Si](C)(C)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579104	0	35	-1.0	-47.06	305.01	8.97	-38.09
C[Si](C)(C)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579104	1	35	-1.0	-47.14	304.92	8.98	-38.16
O=C(NC1=N[N-]N=N1)C1C2C3CC4C5CC(C2C35)C41	REAL250004579105	0	33	-1.0	-45.42	247.30	6.04	-39.38
O=C(NC1=NN=N[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL250004579105	1	33	-1.0	-45.46	247.20	6.05	-39.41
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004579106	0	30	-1.0	-49.30	271.00	6.00	-43.30
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004579106	1	30	-1.0	-49.25	271.10	5.99	-43.26
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004579107	0	30	-1.0	-51.46	271.14	6.03	-45.43
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004579107	1	30	-1.0	-51.42	271.25	6.02	-45.40
CC1=NN(C)C(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004579108	0	23	-1.0	-42.78	236.16	2.51	-40.27
CC1=NN(C)C(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004579108	1	23	-1.0	-42.82	236.06	2.53	-40.29
CC(SC1=CC=CC=C1C(=O)NC1=NN=N[N-]1)C(N)=O	REAL250004579109	0	31	-1.0	-60.24	277.04	2.21	-58.03
CC(SC1=CC=CC=C1C(=O)NC1=N[N-]N=N1)C(N)=O	REAL250004579109	1	31	-1.0	-60.18	277.13	2.20	-57.98
CC1=C(F)C=CC(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004579110	0	23	-1.0	-43.67	231.71	4.65	-39.02
CC1=C(F)C=CC(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004579110	1	23	-1.0	-43.60	231.81	4.65	-38.95
COC1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579111	0	27	-1.0	-53.09	245.55	3.43	-49.66
COC1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579111	1	27	-1.0	-53.01	245.66	3.41	-49.60
CC(C)C(NC(=O)C(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004579112	0	38	-1.0	-40.42	300.85	3.36	-37.06
CC(C)C(NC(=O)C(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004579112	1	38	-1.0	-40.53	300.76	3.38	-37.15
CC(C)(COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004579113	0	36	-1.0	-42.43	303.93	5.92	-36.51
CC(C)(COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004579113	1	36	-1.0	-42.45	303.84	5.93	-36.52
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL250004579114	0	25	-1.0	-51.95	234.99	1.90	-50.05
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CN=N2)=C1	REAL250004579114	1	25	-1.0	-51.86	235.09	1.90	-49.96
O=C(NC1=NN=N[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL250004579115	0	23	-1.0	-45.05	251.35	5.25	-39.80
O=C(NC1=N[N-]N=N1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL250004579115	1	23	-1.0	-44.97	251.45	5.24	-39.73
CN1C=C(OC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579116	0	31	-1.0	-52.38	278.08	5.53	-46.85
CN1C=C(OC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579116	1	31	-1.0	-52.33	278.18	5.52	-46.81
COC1=CC=CC=C1N1N=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004579117	0	34	-1.0	-48.87	294.39	4.91	-43.96
COC1=CC=CC=C1N1N=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004579117	1	34	-1.0	-48.76	294.49	4.90	-43.86
CC1=CC=C2C(C(=O)NC3=NN=N[N-]3)=CSC2=C1	REAL250004579118	0	26	-1.0	-47.13	243.17	5.78	-41.35
CC1=CC=C2C(C(=O)NC3=N[N-]N=N3)=CSC2=C1	REAL250004579118	1	26	-1.0	-47.01	243.27	5.77	-41.24
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004579119	0	31	-1.0	-56.04	270.97	4.92	-51.12
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004579119	1	31	-1.0	-56.07	270.88	4.93	-51.14
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL250004579120	0	24	-1.0	-42.46	243.79	4.12	-38.34
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL250004579120	1	24	-1.0	-42.40	243.89	4.12	-38.28
CN1CC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004579121	0	31	-1.0	-51.78	266.57	4.53	-47.25
CN1CC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004579121	1	31	-1.0	-51.66	266.67	4.52	-47.14
CCCCCCCCCC(C)CC(=O)NC1=N[N-]N=N1	REAL250004579122	0	46	-1.0	-43.52	359.08	8.95	-34.57
CCCCCCCCCC(C)CC(=O)NC1=NN=N[N-]1	REAL250004579122	1	46	-1.0	-43.57	358.99	8.96	-34.61
CC(CC(=O)NC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004579123	0	33	-1.0	-47.72	281.56	5.85	-41.87
CC(CC(=O)NC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004579123	1	33	-1.0	-47.78	281.47	5.86	-41.92
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CC2)=N1	REAL250004579124	0	26	-1.0	-42.46	243.49	3.79	-38.67
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CC2)=N1	REAL250004579124	1	26	-1.0	-42.55	243.39	3.80	-38.75
O=C(NC1=N[N-]N=N1)C1=CN=C(C2OCCO2)S1	REAL250004579125	0	25	-1.0	-44.93	243.22	0.59	-44.34
O=C(NC1=NN=N[N-]1)C1=CN=C(C2OCCO2)S1	REAL250004579125	1	25	-1.0	-45.00	243.12	0.60	-44.40
O=C(CC1=C(Br)C(=O)NC=C1)NC1=N[N-]N=N1	REAL250004579126	0	23	-1.0	-52.92	234.03	1.88	-51.04
O=C(CC1=C(Br)C(=O)NC=C1)NC1=NN=N[N-]1	REAL250004579126	1	23	-1.0	-52.98	233.94	1.90	-51.08
COC1=CC=CC(C(C)CCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004579127	0	39	-1.0	-46.69	320.31	6.47	-40.22
COC1=CC=CC(C(C)CCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004579127	1	39	-1.0	-46.77	320.22	6.49	-40.28
CC1=CC(F)=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004579128	0	29	-1.0	-42.81	272.56	4.25	-38.56
CC1=CC(F)=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004579128	1	29	-1.0	-42.71	272.67	4.23	-38.48
CC1=NC2=C(CCCC2C(=O)NC2=N[N-]N=N2)S1	REAL250004579129	0	29	-1.0	-47.38	256.61	4.52	-42.86
CC1=NC2=C(CCCC2C(=O)NC2=NN=N[N-]2)S1	REAL250004579129	1	29	-1.0	-47.43	256.52	4.54	-42.89
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC(C)=C(C)C=C21	REAL250004579130	0	32	-1.0	-44.33	280.11	7.05	-37.28
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC(C)=C(C)C=C21	REAL250004579130	1	32	-1.0	-44.24	280.21	7.04	-37.20
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=N[N-]N=N1	REAL250004579131	0	33	-1.0	-45.11	276.87	7.06	-38.05
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=NN=N[N-]1	REAL250004579131	1	33	-1.0	-45.18	276.77	7.07	-38.11
CSC1=C(F)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579132	0	24	-1.0	-46.96	233.17	4.95	-42.01
CSC1=C(F)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579132	1	24	-1.0	-46.87	233.27	4.94	-41.93
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1CC1=CC=CC=C1	REAL250004579133	0	33	-1.0	-48.20	280.36	5.59	-42.61
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1CC1=CC=CC=C1	REAL250004579133	1	33	-1.0	-48.09	280.44	5.57	-42.52
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004579134	0	26	-1.0	-60.75	243.86	4.92	-55.83
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004579134	1	26	-1.0	-60.71	243.96	4.89	-55.82
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004579135	0	31	-1.0	-45.23	249.68	3.93	-41.30
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004579135	1	31	-1.0	-45.29	249.59	3.95	-41.34
O=C(NC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1	REAL250004579136	0	29	-1.0	-42.68	250.68	4.96	-37.72
O=C(NC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1	REAL250004579136	1	29	-1.0	-42.76	250.59	4.98	-37.78
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1CC1	REAL250004579137	0	31	-1.0	-45.69	264.87	5.27	-40.42
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1CC1	REAL250004579137	1	31	-1.0	-45.59	264.97	5.26	-40.33
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL250004579138	0	26	-1.0	-44.17	234.42	6.11	-38.06
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CC=C12	REAL250004579138	1	26	-1.0	-44.09	234.52	6.11	-37.98
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=COC=C2)=N1	REAL250004579139	0	27	-1.0	-49.86	248.64	3.24	-46.62
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=COC=C2)=N1	REAL250004579139	1	27	-1.0	-49.79	248.74	3.22	-46.57
CC(=O)N[C@H](CC1CCC1)C(=O)NC1=N[N-]N=N1	REAL250004579140	0	33	-1.0	-54.24	270.77	3.97	-50.27
CC(=O)N[C@H](CC1CCC1)C(=O)NC1=NN=N[N-]1	REAL250004579140	1	33	-1.0	-54.28	270.67	3.98	-50.30
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004579141	0	26	-1.0	-47.92	244.03	3.21	-44.71
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004579141	1	26	-1.0	-47.98	243.93	3.21	-44.77
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004579142	0	29	-1.0	-47.78	265.25	5.51	-42.27
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004579142	1	29	-1.0	-47.85	265.16	5.52	-42.33
CC1=CC=CN=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004579143	0	25	-1.0	-46.00	230.87	3.96	-42.04
CC1=CC=CN=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004579143	1	25	-1.0	-45.99	230.96	3.95	-42.04
CSC1=CC=CC(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004579144	0	24	-1.0	-52.89	236.55	4.63	-48.26
CSC1=CC=CC(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004579144	1	24	-1.0	-52.83	236.65	4.61	-48.22
COC(=O)[C@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004579145	0	32	-1.0	-45.20	267.95	4.68	-40.52
COC(=O)[C@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004579145	1	32	-1.0	-45.25	267.86	4.70	-40.55
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004579146	0	24	-1.0	-41.48	249.51	5.60	-35.88
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004579146	1	24	-1.0	-41.54	249.42	5.62	-35.92
CC1=NC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=NO1	REAL250004579147	0	30	-1.0	-47.22	278.46	0.04	-47.18
CC1=NC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=NO1	REAL250004579147	1	30	-1.0	-47.27	278.35	0.07	-47.20
CC1=NC(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=NO1	REAL250004579148	0	27	-1.0	-49.15	261.63	-0.52	-49.67
CC1=NC(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=NO1	REAL250004579148	1	27	-1.0	-49.22	261.53	-0.50	-49.72
CCSC1=NC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004579149	0	25	-1.0	-47.18	239.35	2.33	-44.85
CCSC1=NC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004579149	1	25	-1.0	-47.11	239.44	2.33	-44.78
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004579150	0	26	-1.0	-50.21	248.32	3.42	-46.79
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004579150	1	26	-1.0	-50.10	248.42	3.40	-46.70
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004579151	0	26	-1.0	-41.25	238.88	5.57	-35.68
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004579151	1	26	-1.0	-41.14	238.98	5.57	-35.57
CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)NC1=N[N-]N=N1	REAL250004579152	0	35	-1.0	-44.26	290.58	5.26	-39.00
CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)NC1=NN=N[N-]1	REAL250004579152	1	35	-1.0	-44.29	290.49	5.26	-39.03
O=C(NC1=NN=N[N-]1)C1=C(Br)OC=C1	REAL250004579153	0	17	-1.0	-44.06	189.82	2.49	-41.57
O=C(NC1=N[N-]N=N1)C1=C(Br)OC=C1	REAL250004579153	1	17	-1.0	-44.01	189.92	2.47	-41.54
N#CC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004579154	0	27	-1.0	-42.80	266.96	5.18	-37.62
N#CC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004579154	1	27	-1.0	-42.72	267.05	5.17	-37.55
O=C(NC1=N[N-]N=N1)C1CCCN1C1=CC=CC=C1	REAL250004579155	0	32	-1.0	-43.00	259.29	3.85	-39.15
O=C(NC1=NN=N[N-]1)C1CCCN1C1=CC=CC=C1	REAL250004579155	1	32	-1.0	-43.04	259.20	3.87	-39.17
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NC1=N[N-]N=N1	REAL250004579156	0	34	-1.0	-56.18	289.47	5.59	-50.59
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NC1=NN=N[N-]1	REAL250004579156	1	34	-1.0	-56.26	289.38	5.60	-50.66
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1Cl	REAL250004579157	0	23	-1.0	-48.84	226.82	4.94	-43.90
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1Cl	REAL250004579157	1	23	-1.0	-48.81	226.92	4.94	-43.87
CC1=NN(CC(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004579158	0	33	-1.0	-52.43	291.72	6.04	-46.39
CC1=NN(CC(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004579158	1	33	-1.0	-52.46	291.63	6.05	-46.41
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC1=N[N-]N=N1	REAL250004579159	0	33	-1.0	-49.51	282.73	7.23	-42.28
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC1=NN=N[N-]1	REAL250004579159	1	33	-1.0	-49.55	282.64	7.25	-42.30
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004579160	0	30	-1.0	-51.02	270.79	7.05	-43.97
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004579160	1	30	-1.0	-51.12	270.69	7.06	-44.06
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NC1=NN=N[N-]1	REAL250004579161	0	29	-1.0	-63.82	267.02	4.83	-58.99
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NC1=N[N-]N=N1	REAL250004579161	1	29	-1.0	-63.75	267.12	4.81	-58.94
O=C(NC1=NN=N[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL250004579162	0	24	-1.0	-48.89	227.94	2.33	-46.56
O=C(NC1=N[N-]N=N1)C1=CC2=NC=CN=C2C=C1F	REAL250004579162	1	24	-1.0	-48.85	228.04	2.31	-46.54
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1CCCC1	REAL250004579163	0	35	-1.0	-44.42	284.22	3.85	-40.57
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1CCCC1	REAL250004579163	1	35	-1.0	-44.50	284.11	3.87	-40.63
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL250004579164	0	32	-1.0	-45.55	272.26	3.45	-42.10
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCOC2)C=C1	REAL250004579164	1	32	-1.0	-45.43	272.36	3.45	-41.98
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579165	0	42	-1.0	-45.06	327.55	4.82	-40.24
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579165	1	42	-1.0	-45.12	327.45	4.84	-40.28
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004579166	0	28	-1.0	-48.53	253.86	3.89	-44.64
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004579166	1	28	-1.0	-48.50	253.96	3.90	-44.60
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C=N1	REAL250004579167	0	26	-1.0	-46.13	240.78	4.47	-41.66
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL250004579167	1	26	-1.0	-46.23	240.68	4.47	-41.76
CC1=CC=CC(Cl)=C1CC(=O)NC1=N[N-]N=N1	REAL250004579168	0	26	-1.0	-44.68	243.29	5.40	-39.28
CC1=CC=CC(Cl)=C1CC(=O)NC1=NN=N[N-]1	REAL250004579168	1	26	-1.0	-44.75	243.19	5.42	-39.33
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004579169	0	27	-1.0	-54.22	250.04	5.33	-48.89
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004579169	1	27	-1.0	-54.09	250.22	5.32	-48.77
CC1(C)COC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004579170	0	31	-1.0	-52.32	263.26	5.65	-46.67
CC1(C)COC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004579170	1	31	-1.0	-52.27	263.36	5.65	-46.62
O=C(CC1=CC=CC(Cl)=C1Cl)NC1=N[N-]N=N1	REAL250004579171	0	23	-1.0	-45.97	241.21	5.34	-40.63
O=C(CC1=CC=CC(Cl)=C1Cl)NC1=NN=N[N-]1	REAL250004579171	1	23	-1.0	-46.08	241.12	5.36	-40.72
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL250004579172	0	26	-1.0	-44.33	244.35	4.53	-39.80
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=CN=C1Cl	REAL250004579172	1	26	-1.0	-44.22	244.45	4.53	-39.69
NC(=O)C1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004579173	0	30	-1.0	-52.95	259.53	2.02	-50.93
NC(=O)C1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004579173	1	30	-1.0	-52.98	259.44	2.04	-50.94
O=C(NC1=N[N-]N=N1)C1(C2CCCCC2)CCCCC1	REAL250004579174	0	42	-1.0	-49.32	294.37	7.63	-41.69
O=C(NC1=NN=N[N-]1)C1(C2CCCCC2)CCCCC1	REAL250004579174	1	42	-1.0	-49.38	294.26	7.65	-41.73
O=C(CN1C=CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004579175	0	29	-1.0	-54.63	262.66	5.37	-49.26
O=C(CN1C=CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004579175	1	29	-1.0	-54.73	262.57	5.38	-49.35
CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=N[N-]N=N1	REAL250004579176	0	36	-1.0	-43.66	288.61	7.30	-36.36
CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=NN=N[N-]1	REAL250004579176	1	36	-1.0	-43.71	288.52	7.31	-36.40
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NC1=NN=N[N-]1	REAL250004579177	0	31	-1.0	-54.07	280.16	6.44	-47.63
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NC1=N[N-]N=N1	REAL250004579177	1	31	-1.0	-54.00	280.25	6.44	-47.56
O=C(CCOCC(F)(F)C(F)F)NC1=N[N-]N=N1	REAL250004579178	0	26	-1.0	-44.49	251.82	3.01	-41.48
O=C(CCOCC(F)(F)C(F)F)NC1=NN=N[N-]1	REAL250004579178	1	26	-1.0	-44.59	251.73	3.02	-41.57
COCCOC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579179	0	37	-1.0	-53.36	294.71	3.12	-50.24
COCCOC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579179	1	37	-1.0	-53.44	294.61	3.14	-50.30
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2C)=NO1	REAL250004579180	0	32	-1.0	-44.67	280.32	6.25	-38.42
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2C)=NO1	REAL250004579180	1	32	-1.0	-44.59	280.42	6.24	-38.35
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NC1=N[N-]N=N1	REAL250004579181	0	40	-1.0	-50.49	324.25	4.72	-45.77
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NC1=NN=N[N-]1	REAL250004579181	1	40	-1.0	-50.57	324.16	4.74	-45.83
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NC1=N[N-]N=N1	REAL250004579182	0	29	-1.0	-48.77	272.04	5.41	-43.36
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NC1=NN=N[N-]1	REAL250004579182	1	29	-1.0	-48.85	271.95	5.42	-43.43
CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N1C	REAL250004579183	0	29	-1.0	-48.17	255.10	4.93	-43.24
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N1C	REAL250004579183	1	29	-1.0	-48.09	255.20	4.92	-43.17
CC(C)(C#N)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579184	0	30	-1.0	-47.60	263.95	5.76	-41.84
CC(C)(C#N)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579184	1	30	-1.0	-47.55	264.05	5.74	-41.81
CC(C)(CC(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004579185	0	38	-1.0	-42.36	274.74	6.09	-36.27
CC(C)(CC(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004579185	1	38	-1.0	-42.44	274.64	6.10	-36.34
CN1N=C(C(F)F)C2=C1SC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004579187	0	26	-1.0	-45.23	263.53	3.73	-41.50
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=N[N-]N=N1	REAL250004579188	0	33	-1.0	-49.32	284.48	7.18	-42.14
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=NN=N[N-]1	REAL250004579188	1	33	-1.0	-49.40	284.38	7.20	-42.20
CC(C)CN1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004579189	0	36	-1.0	-51.67	299.53	7.74	-43.93
CC(C)CN1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004579189	1	36	-1.0	-51.48	300.07	7.74	-43.74
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL250004579190	0	25	-1.0	-45.46	237.72	5.13	-40.33
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C(=O)O1	REAL250004579190	1	25	-1.0	-45.40	237.82	5.13	-40.27
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=N1	REAL250004579191	0	19	-1.0	-47.70	208.44	2.03	-45.67
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=N1	REAL250004579191	1	19	-1.0	-47.65	208.54	2.02	-45.63
N#CC1=CC=C(CC(C#N)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579192	0	28	-1.0	-44.32	272.11	5.78	-38.54
N#CC1=CC=C(CC(C#N)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579192	1	28	-1.0	-44.40	272.02	5.80	-38.60
O=C(NC1=NN=N[N-]1)C1=NN(C2CCCCC2)C=C1	REAL250004579193	0	33	-1.0	-46.74	274.66	4.84	-41.90
O=C(NC1=N[N-]N=N1)C1=NN(C2CCCCC2)C=C1	REAL250004579193	1	33	-1.0	-46.68	274.76	4.83	-41.85
COC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)=C1	REAL250004579194	0	32	-1.0	-52.50	285.05	4.38	-48.12
COC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)=C1	REAL250004579194	1	32	-1.0	-52.51	284.95	4.40	-48.11
O=C(CCSCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004579195	0	30	-1.0	-43.05	278.24	6.65	-36.40
O=C(CCSCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004579195	1	30	-1.0	-43.16	278.14	6.66	-36.50
CC1=CSC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004579196	0	20	-1.0	-44.21	216.63	4.05	-40.16
CC1=CSC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004579196	1	20	-1.0	-44.08	216.73	4.03	-40.05
CCCOC1=NC(C)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579197	0	32	-1.0	-49.99	277.38	4.05	-45.94
CCCOC1=NC(C)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579197	1	32	-1.0	-49.92	277.48	4.05	-45.87
O=C(NC1=NN=N[N-]1)C1=NC(Br)=CC=C1F	REAL250004579198	0	19	-1.0	-46.45	210.64	2.66	-43.79
O=C(NC1=N[N-]N=N1)C1=NC(Br)=CC=C1F	REAL250004579198	1	19	-1.0	-46.40	210.74	2.66	-43.74
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1Br	REAL250004579199	0	19	-1.0	-46.76	200.91	2.70	-44.06
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1Br	REAL250004579199	1	19	-1.0	-46.66	201.01	2.70	-43.96
O=C(CC1=CC=CC(C(F)F)=C1)NC1=N[N-]N=N1	REAL250004579200	0	26	-1.0	-48.07	246.31	5.40	-42.67
O=C(CC1=CC=CC(C(F)F)=C1)NC1=NN=N[N-]1	REAL250004579200	1	26	-1.0	-48.18	246.22	5.42	-42.76
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL250004579201	0	27	-1.0	-50.23	250.48	3.34	-46.89
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CN=C2)=NO1	REAL250004579201	1	27	-1.0	-50.15	250.57	3.32	-46.83
CCC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004579202	0	32	-1.0	-43.68	288.79	6.25	-37.43
CCC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004579202	1	32	-1.0	-43.67	288.88	6.24	-37.43
O=C(NC1CCC(C(=O)NC2=N[N-]N=N2)CC1)C1CC1	REAL250004579203	0	37	-1.0	-50.59	304.06	3.96	-46.63
O=C(NC1CCC(C(=O)NC2=NN=N[N-]2)CC1)C1CC1	REAL250004579203	1	37	-1.0	-50.70	303.96	3.98	-46.72
N#CCC(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004579204	0	30	-1.0	-49.92	266.94	6.00	-43.92
N#CCC(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004579204	1	30	-1.0	-49.95	266.84	6.01	-43.94
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C21	REAL250004579205	0	25	-1.0	-44.34	241.02	3.98	-40.36
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(Cl)C=C21	REAL250004579205	1	25	-1.0	-44.40	240.93	3.99	-40.41
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C2=CC=CC=C12	REAL250004579206	0	25	-1.0	-43.23	238.68	4.66	-38.57
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C2=CC=CC=C12	REAL250004579206	1	25	-1.0	-43.15	238.78	4.66	-38.49
O=C(NC1=NN=N[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL250004579207	0	27	-1.0	-44.22	243.91	5.23	-38.99
O=C(NC1=N[N-]N=N1)C1=CC=NN1C1=CC=CC=C1	REAL250004579207	1	27	-1.0	-44.14	244.00	5.21	-38.93
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C1	REAL250004579208	0	28	-1.0	-45.45	245.32	1.47	-43.98
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C1	REAL250004579208	1	28	-1.0	-45.50	245.23	1.48	-44.02
CCSCC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579209	0	30	-1.0	-46.49	267.88	6.56	-39.93
CCSCC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579209	1	30	-1.0	-46.34	267.97	6.56	-39.78
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL250004579210	0	26	-1.0	-43.80	244.98	3.56	-40.24
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC(F)=C1	REAL250004579210	1	26	-1.0	-43.78	245.07	3.56	-40.22
CCCC(CCCS(C)(=O)=O)C(=O)NC1=N[N-]N=N1	REAL250004579211	0	37	-1.0	-52.67	316.93	2.47	-50.20
CCCC(CCCS(C)(=O)=O)C(=O)NC1=NN=N[N-]1	REAL250004579211	1	37	-1.0	-52.81	316.82	2.48	-50.33
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OCC(C)C)=C1	REAL250004579212	0	37	-1.0	-50.18	307.56	6.00	-44.18
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OCC(C)C)=C1	REAL250004579212	1	37	-1.0	-50.07	307.66	6.00	-44.07
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004579213	0	31	-1.0	-46.24	274.63	5.65	-40.59
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004579213	1	31	-1.0	-46.19	274.73	5.63	-40.56
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004579214	0	27	-1.0	-46.75	248.44	2.82	-43.93
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004579214	1	27	-1.0	-46.69	248.55	2.82	-43.87
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=N[N-]N=N1	REAL250004579215	0	39	-1.0	-47.31	307.29	2.65	-44.66
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=NN=N[N-]1	REAL250004579215	1	39	-1.0	-47.39	307.20	2.67	-44.72
CCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004579216	0	33	-1.0	-46.77	286.91	5.75	-41.02
CCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004579216	1	33	-1.0	-46.71	287.00	5.74	-40.97
CCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579217	0	34	-1.0	-49.87	287.45	5.33	-44.54
CCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579217	1	34	-1.0	-49.82	287.56	5.33	-44.49
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(C)C)=C1	REAL250004579218	0	34	-1.0	-50.11	283.88	5.14	-44.97
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(C)C)=C1	REAL250004579218	1	34	-1.0	-50.03	283.99	5.14	-44.89
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL250004579219	0	29	-1.0	-47.24	262.49	5.88	-41.36
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL250004579219	1	29	-1.0	-47.29	262.40	5.90	-41.39
CC(C)N1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004579220	0	36	-1.0	-47.06	304.29	6.37	-40.69
CC(C)N1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004579220	1	36	-1.0	-46.94	304.37	6.36	-40.58
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579221	0	26	-1.0	-44.86	242.89	4.99	-39.87
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579221	1	26	-1.0	-44.72	242.98	4.97	-39.75
CN(CC(=O)NC1=N[N-]N=N1)C(=O)OCC1=CC=CC=C1	REAL250004579222	0	34	-1.0	-51.14	304.42	5.45	-45.69
CN(CC(=O)NC1=NN=N[N-]1)C(=O)OCC1=CC=CC=C1	REAL250004579222	1	34	-1.0	-51.25	304.33	5.46	-45.79
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL250004579223	0	29	-1.0	-40.82	259.51	4.38	-36.44
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004579223	1	29	-1.0	-40.71	259.61	4.35	-36.36
CC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004579224	0	26	-1.0	-45.27	245.11	5.48	-39.79
CC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004579224	1	26	-1.0	-45.36	245.02	5.50	-39.86
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004579225	0	36	-1.0	-45.13	295.05	5.66	-39.47
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004579225	1	36	-1.0	-45.26	294.95	5.68	-39.58
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL250004579226	0	26	-1.0	-45.80	255.56	2.75	-43.05
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=N1	REAL250004579226	1	26	-1.0	-45.72	255.66	2.75	-42.97
CC(C)(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004579227	0	32	-1.0	-44.38	276.73	6.33	-38.05
CC(C)(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004579227	1	32	-1.0	-44.28	276.83	6.31	-37.97
CCN1N=NC2=C1CCC(C(=O)NC1=N[N-]N=N1)C2	REAL250004579228	0	32	-1.0	-48.49	269.89	3.37	-45.12
CCN1N=NC2=C1CCC(C(=O)NC1=NN=N[N-]1)C2	REAL250004579228	1	32	-1.0	-48.52	269.79	3.38	-45.14
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004579229	0	32	-1.0	-45.04	270.41	5.98	-39.06
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004579229	1	32	-1.0	-44.93	270.50	5.96	-38.97
O=C(NC1=NN=N[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL250004579230	0	25	-1.0	-51.49	244.37	3.15	-48.34
O=C(NC1=N[N-]N=N1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL250004579230	1	25	-1.0	-51.40	244.47	3.14	-48.26
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004579231	0	31	-1.0	-47.43	280.85	2.71	-44.72
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004579231	1	31	-1.0	-47.48	280.75	2.73	-44.75
O=C(NC1=NN=N[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL250004579232	0	25	-1.0	-39.61	243.72	4.10	-35.51
O=C(NC1=N[N-]N=N1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL250004579232	1	25	-1.0	-39.55	243.81	4.10	-35.45
N#CC1=CC(F)=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=C1	REAL250004579233	0	28	-1.0	-47.97	265.73	5.94	-42.03
N#CC1=CC(F)=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=C1	REAL250004579233	1	28	-1.0	-48.05	265.64	5.95	-42.10
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(C#N)=C1	REAL250004579234	0	30	-1.0	-44.89	270.01	5.84	-39.05
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(C#N)=C1	REAL250004579234	1	30	-1.0	-44.99	269.92	5.87	-39.12
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004579235	0	36	-1.0	-48.51	296.13	2.04	-46.47
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004579235	1	36	-1.0	-48.61	296.04	2.06	-46.55
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)CC1	REAL250004579236	0	31	-1.0	-46.81	265.25	2.81	-44.00
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)CC1	REAL250004579236	1	31	-1.0	-46.87	265.16	2.83	-44.04
NC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Cl	REAL250004579237	0	23	-1.0	-47.88	231.97	-0.69	-48.57
NC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Cl	REAL250004579237	1	23	-1.0	-47.82	232.07	-0.71	-48.53
CCOC(=O)C1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579238	0	25	-1.0	-40.30	253.39	2.59	-37.71
CCOC(=O)C1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579238	1	25	-1.0	-40.25	253.49	2.58	-37.67
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)N=CS1	REAL250004579239	0	19	-1.0	-46.32	208.62	2.05	-44.27
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)N=CS1	REAL250004579239	1	19	-1.0	-46.24	208.73	2.03	-44.21
CC(C)C1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579240	0	32	-1.0	-49.61	276.25	6.06	-43.55
CC(C)C1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579240	1	32	-1.0	-49.49	276.35	6.05	-43.44
CC(CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004579241	0	36	-1.0	-51.14	298.00	2.53	-48.61
CC(CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004579241	1	36	-1.0	-51.25	297.91	2.55	-48.70
O=C(NC1=NN=N[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL250004579242	0	30	-1.0	-47.38	270.98	3.97	-43.41
O=C(NC1=N[N-]N=N1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL250004579242	1	30	-1.0	-47.32	271.08	3.96	-43.36
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250004579243	0	20	-1.0	-39.87	219.94	3.98	-35.89
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL250004579243	1	20	-1.0	-39.81	220.04	3.97	-35.84
CC1=CC=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004579244	0	28	-1.0	-45.62	246.45	4.73	-40.89
CC1=CC=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004579244	1	28	-1.0	-45.56	246.54	4.72	-40.84
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004579245	0	29	-1.0	-45.28	252.31	4.77	-40.51
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004579245	1	29	-1.0	-45.18	252.41	4.76	-40.42
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=N[N-]N=N1	REAL250004579246	0	24	-1.0	-44.29	234.73	5.11	-39.18
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=NN=N[N-]1	REAL250004579246	1	24	-1.0	-44.36	234.63	5.11	-39.25
CCC1=CC=CC=C1OCCC(=O)NC1=N[N-]N=N1	REAL250004579247	0	33	-1.0	-43.70	283.71	5.60	-38.10
CCC1=CC=CC=C1OCCC(=O)NC1=NN=N[N-]1	REAL250004579247	1	33	-1.0	-43.76	283.62	5.62	-38.14
CC1=CC=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(Cl)N=C12	REAL250004579248	0	28	-1.0	-47.23	261.40	5.47	-41.76
CC1=CC=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(Cl)N=C12	REAL250004579248	1	28	-1.0	-47.18	261.50	5.46	-41.72
CS(=O)(=O)C1=NC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004579249	0	24	-1.0	-50.26	242.55	-1.47	-51.73
CS(=O)(=O)C1=NC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004579249	1	24	-1.0	-50.18	242.65	-1.48	-51.66
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1OC	REAL250004579250	0	31	-1.0	-45.37	264.55	3.86	-41.51
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1OC	REAL250004579250	1	31	-1.0	-45.31	264.65	3.85	-41.46
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL250004579251	0	23	-1.0	-41.15	236.19	4.94	-36.21
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL250004579251	1	23	-1.0	-41.09	236.28	4.93	-36.16
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004579252	0	23	-1.0	-41.38	230.63	1.82	-39.56
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004579252	1	23	-1.0	-41.30	230.73	1.82	-39.48
CC1=NN=C(COCC(=O)NC2=N[N-]N=N2)S1	REAL250004579253	0	25	-1.0	-54.22	247.82	1.60	-52.62
CC1=NN=C(COCC(=O)NC2=NN=N[N-]2)S1	REAL250004579253	1	25	-1.0	-54.29	247.72	1.61	-52.68
COC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=C1	REAL250004579254	0	31	-1.0	-52.19	268.02	4.79	-47.40
COC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=C1	REAL250004579254	1	31	-1.0	-52.28	267.92	4.80	-47.48
CCOC(=O)CC(C)(C)CC(=O)NC1=N[N-]N=N1	REAL250004579255	0	34	-1.0	-49.47	273.36	4.81	-44.66
CCOC(=O)CC(C)(C)CC(=O)NC1=NN=N[N-]1	REAL250004579255	1	34	-1.0	-49.56	273.27	4.82	-44.74
CCC1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579256	0	29	-1.0	-49.49	258.98	5.58	-43.91
CCC1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579256	1	29	-1.0	-49.39	259.08	5.56	-43.83
CC(C)CC1=CC=CC(C(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004579257	0	38	-1.0	-44.29	309.23	7.69	-36.60
CC(C)CC1=CC=CC(C(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004579257	1	38	-1.0	-44.34	309.14	7.71	-36.63
CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=CS1	REAL250004579258	0	29	-1.0	-47.33	271.67	5.22	-42.11
CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=CS1	REAL250004579258	1	29	-1.0	-47.26	271.77	5.21	-42.05
O=C(NC1=N[N-]N=N1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL250004579259	0	30	-1.0	-50.60	267.36	2.25	-48.35
O=C(NC1=NN=N[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL250004579259	1	30	-1.0	-50.65	267.27	2.28	-48.37
COC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)C=CO1	REAL250004579260	0	26	-1.0	-48.47	244.63	3.38	-45.09
COC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)C=CO1	REAL250004579260	1	26	-1.0	-48.40	244.73	3.37	-45.03
CC1=CC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=NO1	REAL250004579261	0	31	-1.0	-48.50	283.79	2.66	-45.84
CC1=CC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=NO1	REAL250004579261	1	31	-1.0	-48.60	283.69	2.68	-45.92
O=C(NC1=NN=N[N-]1)C1=CSC=C1Br	REAL250004579262	0	17	-1.0	-45.95	196.40	3.34	-42.61
O=C(NC1=N[N-]N=N1)C1=CSC=C1Br	REAL250004579262	1	17	-1.0	-45.84	196.50	3.33	-42.51
COC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1F	REAL250004579263	0	30	-1.0	-48.25	268.31	4.63	-43.62
COC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1F	REAL250004579263	1	30	-1.0	-48.31	268.22	4.64	-43.67
CCC(C)(C)C1CCC2(CC2C(=O)NC2=N[N-]N=N2)CC1	REAL250004579264	0	45	-1.0	-44.40	324.31	7.86	-36.54
CCC(C)(C)C1CCC2(CC2C(=O)NC2=NN=N[N-]2)CC1	REAL250004579264	1	45	-1.0	-44.44	324.22	7.87	-36.57
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=NN=N[N-]1	REAL250004579265	0	27	-1.0	-49.98	258.78	-0.80	-50.78
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=N[N-]N=N1	REAL250004579265	1	27	-1.0	-49.90	258.87	-0.82	-50.72
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004579266	0	28	-1.0	-46.72	262.06	3.91	-42.81
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004579266	1	28	-1.0	-46.67	262.14	3.89	-42.78
O=C(CC1=CC=C2N=CSC2=C1)NC1=N[N-]N=N1	REAL250004579267	0	25	-1.0	-48.00	243.29	3.85	-44.15
O=C(CC1=CC=C2N=CSC2=C1)NC1=NN=N[N-]1	REAL250004579267	1	25	-1.0	-48.09	243.20	3.87	-44.22
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004579268	0	29	-1.0	-48.15	261.44	6.51	-41.64
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004579268	1	29	-1.0	-48.07	261.54	6.50	-41.57
CC(NC(=O)C1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004579269	0	33	-1.0	-41.10	274.44	2.72	-38.38
CC(NC(=O)C1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004579269	1	33	-1.0	-41.16	274.35	2.74	-38.42
C[C@H](NC(=O)C1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004579270	0	36	-1.0	-41.16	291.84	3.38	-37.78
C[C@H](NC(=O)C1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004579270	1	36	-1.0	-41.25	291.74	3.40	-37.85
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579271	0	31	-1.0	-55.62	265.76	5.82	-49.80
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579271	1	31	-1.0	-55.55	265.86	5.82	-49.73
O=C(NC1=N[N-]N=N1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004579272	0	28	-1.0	-41.85	264.86	5.16	-36.69
O=C(NC1=NN=N[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004579272	1	28	-1.0	-41.93	264.76	5.17	-36.76
O=C(NC1=N[N-]N=N1)C1CCC(=O)C2=CC=CC=C21	REAL250004579273	0	29	-1.0	-45.06	251.63	5.26	-39.80
O=C(NC1=NN=N[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL250004579273	1	29	-1.0	-45.07	251.53	5.28	-39.79
CC(NC(=O)CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004579274	0	39	-1.0	-41.35	310.51	4.09	-37.26
CC(NC(=O)CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004579274	1	39	-1.0	-41.39	310.42	4.11	-37.28
O=C(NC1=NN=N[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004579275	0	23	-1.0	-45.03	235.47	4.00	-41.03
O=C(NC1=N[N-]N=N1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004579275	1	23	-1.0	-44.98	235.57	3.99	-40.99
CC1=NC=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004579276	0	21	-1.0	-40.48	218.10	2.45	-38.03
CC1=NC=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004579276	1	21	-1.0	-40.55	218.01	2.45	-38.10
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004579277	0	29	-1.0	-59.75	260.43	2.19	-57.56
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004579277	1	29	-1.0	-59.85	260.33	2.20	-57.65
CC(C)(C(=O)NC1=N[N-]N=N1)S(=O)(=O)C1CC1	REAL250004579278	0	29	-1.0	-60.03	256.66	1.39	-58.64
CC(C)(C(=O)NC1=NN=N[N-]1)S(=O)(=O)C1CC1	REAL250004579278	1	29	-1.0	-60.08	256.56	1.40	-58.68
CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004579279	0	26	-1.0	-52.14	252.42	1.36	-50.78
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004579279	1	26	-1.0	-52.03	252.50	1.33	-50.70
CC1(CC(=O)NC2=N[N-]N=N2)CC1(Cl)Cl	REAL250004579280	0	23	-1.0	-46.09	232.13	4.47	-41.62
CC1(CC(=O)NC2=NN=N[N-]2)CC1(Cl)Cl	REAL250004579280	1	23	-1.0	-46.18	232.03	4.47	-41.71
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL250004579281	0	29	-1.0	-49.73	260.97	3.05	-46.68
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL250004579281	1	29	-1.0	-49.64	261.07	3.05	-46.59
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CCOCC1	REAL250004579282	0	37	-1.0	-48.80	292.44	5.42	-43.38
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CCOCC1	REAL250004579282	1	37	-1.0	-48.90	292.35	5.44	-43.46
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004579283	0	30	-1.0	-45.97	280.92	6.84	-39.13
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004579283	1	30	-1.0	-46.06	280.83	6.85	-39.21
CC1=CC=C(Br)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004579284	0	26	-1.0	-44.29	250.59	5.62	-38.67
CC1=CC=C(Br)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004579284	1	26	-1.0	-44.34	250.50	5.64	-38.70
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004579285	0	29	-1.0	-45.60	264.62	1.78	-43.82
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004579285	1	29	-1.0	-45.51	264.72	1.76	-43.75
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)F)C=C1	REAL250004579286	0	23	-1.0	-46.81	234.06	0.89	-45.92
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)F)C=C1	REAL250004579286	1	23	-1.0	-46.86	233.96	0.90	-45.96
O=C(NC1=NN=N[N-]1)C1=CC=C(C2OCCO2)C=C1	REAL250004579287	0	29	-1.0	-45.63	254.82	3.44	-42.19
O=C(NC1=N[N-]N=N1)C1=CC=C(C2OCCO2)C=C1	REAL250004579287	1	29	-1.0	-45.55	254.91	3.42	-42.13
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1N1C=CC=N1	REAL250004579288	0	27	-1.0	-61.69	252.03	5.03	-56.66
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1N1C=CC=N1	REAL250004579288	1	27	-1.0	-61.65	252.12	5.03	-56.62
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL250004579289	0	31	-1.0	-45.27	273.26	4.59	-40.68
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL250004579289	1	31	-1.0	-45.20	273.36	4.58	-40.62
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004579290	0	27	-1.0	-47.75	254.31	6.23	-41.52
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004579290	1	27	-1.0	-47.82	254.21	6.25	-41.57
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL250004579291	0	26	-1.0	-44.72	251.77	5.64	-39.08
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL250004579291	1	26	-1.0	-44.79	251.68	5.66	-39.13
CC(F)(F)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579292	0	26	-1.0	-43.45	240.57	5.34	-38.11
CC(F)(F)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579292	1	26	-1.0	-43.39	240.67	5.32	-38.07
O=C(CC1COC2=CC=CC=C2O1)NC1=N[N-]N=N1	REAL250004579293	0	29	-1.0	-51.88	255.29	4.42	-47.46
O=C(CC1COC2=CC=CC=C2O1)NC1=NN=N[N-]1	REAL250004579293	1	29	-1.0	-51.98	255.20	4.43	-47.55
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250004579294	0	23	-1.0	-45.65	225.89	1.22	-44.43
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC(F)F)=C1	REAL250004579294	1	23	-1.0	-45.60	225.99	1.22	-44.38
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=C1OC	REAL250004579295	0	31	-1.0	-47.61	288.33	4.24	-43.37
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=C1OC	REAL250004579295	1	31	-1.0	-47.70	288.24	4.26	-43.44
COC1=CC(C(=O)NC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004579296	0	26	-1.0	-47.70	247.35	4.80	-42.90
COC1=CC(C(=O)NC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004579296	1	26	-1.0	-47.62	247.45	4.79	-42.83
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC=C1Cl	REAL250004579297	0	27	-1.0	-47.77	254.32	6.23	-41.54
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250004579297	1	27	-1.0	-47.83	254.22	6.25	-41.58
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL250004579298	0	30	-1.0	-48.25	278.97	3.10	-45.15
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL250004579298	1	30	-1.0	-48.18	279.06	3.08	-45.10
O=C(NC1=NN=N[N-]1)C1=C(Br)SC=C1	REAL250004579299	0	17	-1.0	-44.68	196.38	3.44	-41.24
O=C(NC1=N[N-]N=N1)C1=C(Br)SC=C1	REAL250004579299	1	17	-1.0	-44.63	196.48	3.43	-41.20
CC1=C(C(=O)NC2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004579300	0	26	-1.0	-41.22	242.80	3.59	-37.63
CC1=C(C(=O)NC2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004579300	1	26	-1.0	-41.14	242.90	3.57	-37.57
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004579301	0	27	-1.0	-45.83	257.68	4.32	-41.51
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004579301	1	27	-1.0	-45.92	257.59	4.34	-41.58
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579302	0	23	-1.0	-38.06	229.08	2.51	-35.55
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579302	1	23	-1.0	-37.99	229.18	2.53	-35.46
CC1=CC(F)=C(CC(=O)NC2=N[N-]N=N2)C=C1F	REAL250004579303	0	26	-1.0	-45.45	244.28	5.22	-40.23
CC1=CC(F)=C(CC(=O)NC2=NN=N[N-]2)C=C1F	REAL250004579303	1	26	-1.0	-45.50	244.18	5.24	-40.26
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579304	0	35	-1.0	-51.01	298.61	4.40	-46.61
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579304	1	35	-1.0	-50.91	298.71	4.39	-46.52
CC1=CC(C)=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004579305	0	26	-1.0	-42.32	242.93	5.67	-36.65
CC1=CC(C)=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004579305	1	26	-1.0	-42.24	243.03	5.66	-36.58
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004579306	0	23	-1.0	-45.99	233.80	5.36	-40.63
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004579306	1	23	-1.0	-45.86	233.89	5.35	-40.51
CC1CC(C(=O)NC2=N[N-]N=N2)(C2=CC=CC(Cl)=C2)C1	REAL250004579307	0	33	-1.0	-45.57	293.68	7.22	-38.35
CC1CC(C(=O)NC2=NN=N[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL250004579307	1	33	-1.0	-45.61	293.59	7.23	-38.38
CCC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004579308	0	29	-1.0	-44.34	257.88	5.65	-38.69
CCC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004579308	1	29	-1.0	-44.27	257.98	5.64	-38.63
CC(OCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004579309	0	33	-1.0	-46.78	287.93	6.28	-40.50
CC(OCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004579309	1	33	-1.0	-46.85	287.84	6.29	-40.56
C=CCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579310	0	31	-1.0	-46.22	276.41	5.28	-40.94
C=CCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579310	1	31	-1.0	-46.26	276.31	5.30	-40.96
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL250004579311	0	23	-1.0	-41.91	242.76	1.64	-40.27
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL250004579311	1	23	-1.0	-41.86	242.86	1.63	-40.23
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004579312	0	30	-1.0	-55.75	274.58	1.19	-54.56
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004579312	1	30	-1.0	-55.71	274.68	1.17	-54.54
O=C(NC1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004579313	0	23	-1.0	-42.58	226.97	2.91	-39.67
O=C(NC1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004579313	1	23	-1.0	-42.51	227.07	2.91	-39.60
CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004579314	0	34	-1.0	-48.81	287.45	5.35	-43.46
CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004579314	1	34	-1.0	-48.77	287.55	5.35	-43.42
CCOC(=O)C1=C(C)NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579315	0	30	-1.0	-44.84	270.92	3.71	-41.13
CCOC(=O)C1=C(C)NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579315	1	30	-1.0	-44.76	271.02	3.70	-41.06
CC(=O)NC[C@H](CC(=O)NC1=N[N-]N=N1)CC(C)C	REAL250004579316	0	38	-1.0	-47.00	300.86	4.09	-42.91
CC(=O)NC[C@H](CC(=O)NC1=NN=N[N-]1)CC(C)C	REAL250004579316	1	38	-1.0	-47.09	300.76	4.10	-42.99
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C=C1F	REAL250004579317	0	30	-1.0	-45.02	271.47	6.59	-38.43
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL250004579317	1	30	-1.0	-45.09	271.38	6.61	-38.48
CCOCC1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579318	0	29	-1.0	-42.81	269.13	2.29	-40.52
CCOCC1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579318	1	29	-1.0	-42.88	269.03	2.30	-40.58
CC=CCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579319	0	34	-1.0	-47.28	298.11	6.14	-41.14
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CC(=O)NC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004579329	0	30	-1.0	-42.30	270.89	3.72	-38.58
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O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL250004579330	1	20	-1.0	-41.69	239.49	5.01	-36.68
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579331	0	31	-1.0	-64.17	272.33	3.46	-60.71
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579331	1	31	-1.0	-64.12	272.43	3.45	-60.67
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O=C(NC1=NN=N[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004579333	0	30	-1.0	-50.47	276.74	3.45	-47.02
O=C(NC1=N[N-]N=N1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004579333	1	30	-1.0	-50.44	276.84	3.43	-47.01
O=C(NC1=N[N-]N=N1)C1CCCC1C1=CC=CC=C1	REAL250004579334	0	33	-1.0	-45.98	271.82	6.90	-39.08
O=C(NC1=NN=N[N-]1)C1CCCC1C1=CC=CC=C1	REAL250004579334	1	33	-1.0	-46.03	271.73	6.92	-39.11
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=N[N-]N=N1	REAL250004579335	0	33	-1.0	-41.53	268.09	1.93	-39.60
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=NN=N[N-]1	REAL250004579335	1	33	-1.0	-41.61	268.00	1.95	-39.66
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004579336	0	36	-1.0	-46.27	276.59	7.09	-39.18
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004579336	1	36	-1.0	-46.33	276.45	7.09	-39.24
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O=C(NC1=N[N-]N=N1)C1=CN=C(F)C(Br)=C1	REAL250004579337	1	19	-1.0	-38.62	209.53	2.55	-36.07
N#CC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579338	0	21	-1.0	-48.71	226.04	4.67	-44.04
N#CC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579338	1	21	-1.0	-48.61	226.13	4.66	-43.95
CC1CCCN(C2=CC(C(=O)NC3=NN=N[N-]3)=CC=N2)C1	REAL250004579339	0	37	-1.0	-43.54	299.27	5.07	-38.47
CC1CCCN(C2=CC(C(=O)NC3=N[N-]N=N3)=CC=N2)C1	REAL250004579339	1	37	-1.0	-43.44	299.36	5.06	-38.38
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004579340	0	25	-1.0	-45.49	234.95	4.27	-41.22
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004579340	1	25	-1.0	-45.40	235.05	4.27	-41.13
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004579341	0	35	-1.0	-49.38	295.64	4.78	-44.60
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004579341	1	35	-1.0	-49.42	295.54	4.80	-44.62
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579342	0	27	-1.0	-45.77	253.74	5.32	-40.45
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579342	1	27	-1.0	-45.66	253.84	5.30	-40.36
O=C(NC1=N[N-]N=N1)C1CCC(OCC2CCCO2)CC1	REAL250004579343	0	41	-1.0	-44.78	324.58	4.38	-40.40
O=C(NC1=NN=N[N-]1)C1CCC(OCC2CCCO2)CC1	REAL250004579343	1	41	-1.0	-44.84	324.49	4.40	-40.44
O=C(CC1=CSC=C1Br)NC1=N[N-]N=N1	REAL250004579344	0	20	-1.0	-43.67	221.52	3.95	-39.72
O=C(CC1=CSC=C1Br)NC1=NN=N[N-]1	REAL250004579344	1	20	-1.0	-43.72	221.43	3.98	-39.74
O=C(NC1=NN=N[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004579345	0	32	-1.0	-44.65	291.45	4.77	-39.88
O=C(NC1=N[N-]N=N1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004579345	1	32	-1.0	-44.62	291.55	4.76	-39.86
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004579346	0	35	-1.0	-48.00	279.82	7.29	-40.71
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004579346	1	35	-1.0	-47.93	279.92	7.28	-40.65
CN(C)C1=CC(C#N)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579347	0	29	-1.0	-44.21	260.68	4.60	-39.61
CN(C)C1=CC(C#N)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579347	1	29	-1.0	-44.15	260.78	4.59	-39.56
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004579348	0	29	-1.0	-47.34	265.80	2.94	-44.40
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004579348	1	29	-1.0	-47.28	265.90	2.93	-44.35
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004579349	0	22	-1.0	-37.39	232.70	2.67	-34.72
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004579349	1	22	-1.0	-37.49	232.60	2.68	-34.81
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=N[N-]N=N1	REAL250004579350	0	27	-1.0	-49.72	256.71	4.89	-44.83
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=NN=N[N-]1	REAL250004579350	1	27	-1.0	-49.83	256.62	4.90	-44.93
N#CC1=CC(C(=O)NC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL250004579351	0	23	-1.0	-39.58	239.31	3.19	-36.39
N#CC1=CC(C(=O)NC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL250004579351	1	23	-1.0	-39.52	239.41	3.19	-36.33
CC(C)C(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004579352	0	32	-1.0	-47.12	280.26	3.87	-43.25
CC(C)C(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004579352	1	32	-1.0	-47.07	280.35	3.85	-43.22
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004579353	0	24	-1.0	-44.53	232.78	3.47	-41.06
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004579353	1	24	-1.0	-44.49	232.87	3.47	-41.02
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579354	0	34	-1.0	-42.91	277.43	5.20	-37.71
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579354	1	34	-1.0	-42.83	277.53	5.20	-37.63
CN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004579355	0	20	-1.0	-48.17	212.26	2.23	-45.94
CN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004579355	1	20	-1.0	-48.08	212.35	2.22	-45.86
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004579356	0	29	-1.0	-45.98	254.11	3.68	-42.30
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004579356	1	29	-1.0	-46.08	254.01	3.70	-42.38
CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004579357	0	25	-1.0	-42.88	244.07	5.51	-37.37
CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004579357	1	25	-1.0	-42.80	244.17	5.49	-37.31
CC1(C)C(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004579358	0	31	-1.0	-46.81	270.63	3.31	-43.50
CC1(C)C(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004579358	1	31	-1.0	-46.70	270.73	3.31	-43.39
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004579359	0	26	-1.0	-45.33	241.45	2.07	-43.26
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004579359	1	26	-1.0	-45.25	241.55	2.05	-43.20
CCOC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004579360	0	28	-1.0	-42.54	261.43	3.67	-38.87
CCOC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004579360	1	28	-1.0	-42.41	261.53	3.65	-38.76
C#CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579361	0	29	-1.0	-45.20	265.95	5.37	-39.83
C#CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579361	1	29	-1.0	-45.16	266.04	5.37	-39.79
CC(C(=O)NC1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004579362	0	31	-1.0	-47.95	269.44	5.40	-42.55
CC(C(=O)NC1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004579362	1	31	-1.0	-48.01	269.35	5.41	-42.60
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004579363	0	20	-1.0	-39.70	222.49	4.88	-34.82
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004579363	1	20	-1.0	-39.63	222.59	4.87	-34.76
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=N[N-]N=N1	REAL250004579364	0	24	-1.0	-44.83	243.65	4.89	-39.94
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=NN=N[N-]1	REAL250004579364	1	24	-1.0	-44.93	243.56	4.90	-40.03
COC1=CC=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004579365	0	30	-1.0	-46.16	274.24	2.80	-43.36
COC1=CC=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004579365	1	30	-1.0	-46.06	274.34	2.79	-43.27
O=C(CC1CCCS(=O)(=O)C1)NC1=N[N-]N=N1	REAL250004579366	0	29	-1.0	-52.64	250.79	0.77	-51.87
O=C(CC1CCCS(=O)(=O)C1)NC1=NN=N[N-]1	REAL250004579366	1	29	-1.0	-52.69	250.70	0.78	-51.91
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2C(Cl)=C1	REAL250004579367	0	25	-1.0	-44.15	245.42	4.68	-39.47
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2C(Cl)=C1	REAL250004579367	1	25	-1.0	-44.06	245.52	4.67	-39.39
CN(C)C1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004579368	0	30	-1.0	-44.35	272.04	5.18	-39.17
CN(C)C1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004579368	1	30	-1.0	-44.30	272.14	5.16	-39.14
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004579369	0	33	-1.0	-45.35	288.15	6.57	-38.78
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004579369	1	33	-1.0	-45.38	288.07	6.58	-38.80
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL250004579370	0	29	-1.0	-44.23	277.46	5.88	-38.35
CCC1=C(C(=O)NC2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL250004579370	1	29	-1.0	-44.18	277.57	5.88	-38.30
COC1=CC=CC(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004579371	0	31	-1.0	-44.33	271.51	3.40	-40.93
COC1=CC=CC(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004579371	1	31	-1.0	-44.42	271.41	3.42	-41.00
NC(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579372	0	30	-1.0	-49.02	268.09	2.06	-46.96
NC(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579372	1	30	-1.0	-49.08	267.99	2.08	-47.00
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004579373	0	31	-1.0	-55.36	258.86	6.45	-48.91
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004579373	1	31	-1.0	-55.45	258.76	6.47	-48.98
O=C(NC1=NN=N[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004579374	0	25	-1.0	-44.51	240.54	4.30	-40.21
O=C(NC1=N[N-]N=N1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004579374	1	25	-1.0	-44.44	240.63	4.30	-40.14
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004579375	0	27	-1.0	-44.48	261.96	6.22	-38.26
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004579375	1	27	-1.0	-44.42	262.06	6.21	-38.21
COCCOCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579376	0	34	-1.0	-47.99	297.95	3.77	-44.22
COCCOCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579376	1	34	-1.0	-47.92	298.05	3.75	-44.17
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL250004579377	0	29	-1.0	-45.03	252.22	5.42	-39.61
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)CCCC2=C1	REAL250004579377	1	29	-1.0	-44.96	252.32	5.40	-39.56
CC1=CC=C(Br)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004579378	0	26	-1.0	-43.57	248.22	5.26	-38.31
CC1=CC=C(Br)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004579378	1	26	-1.0	-43.54	248.31	5.25	-38.29
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1Br	REAL250004579379	0	20	-1.0	-46.48	209.38	4.46	-42.02
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1Br	REAL250004579379	1	20	-1.0	-46.35	209.48	4.45	-41.90
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004579380	0	26	-1.0	-44.88	243.64	3.21	-41.67
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004579380	1	26	-1.0	-44.90	243.54	3.22	-41.68
O=C(NC1=N[N-]N=N1)C1=NOC(CN2C=CC=N2)=C1	REAL250004579381	0	26	-1.0	-49.02	250.52	2.90	-46.12
O=C(NC1=NN=N[N-]1)C1=NOC(CN2C=CC=N2)=C1	REAL250004579381	1	26	-1.0	-49.07	250.42	2.90	-46.17
CC1=CC=C2SN=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579382	0	25	-1.0	-46.10	239.45	4.46	-41.64
CC1=CC=C2SN=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579382	1	25	-1.0	-46.02	239.55	4.45	-41.57
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL250004579383	0	26	-1.0	-42.73	249.38	5.63	-37.10
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL250004579383	1	26	-1.0	-42.80	249.28	5.65	-37.15
COC1=CC(Cl)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579384	0	24	-1.0	-43.19	233.61	3.64	-39.55
COC1=CC(Cl)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579384	1	24	-1.0	-43.15	233.71	3.61	-39.54
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1=N[N-]N=N1	REAL250004579385	0	33	-1.0	-45.61	283.07	4.77	-40.84
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1=NN=N[N-]1	REAL250004579385	1	33	-1.0	-45.65	282.97	4.79	-40.86
COC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004579386	0	36	-1.0	-44.95	286.59	5.38	-39.57
COC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004579386	1	36	-1.0	-45.01	286.49	5.39	-39.62
O=C(CC1=C(Br)C=CS1)NC1=N[N-]N=N1	REAL250004579387	0	20	-1.0	-43.20	221.82	4.12	-39.08
O=C(CC1=C(Br)C=CS1)NC1=NN=N[N-]1	REAL250004579387	1	20	-1.0	-43.28	221.73	4.14	-39.14
CN(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C=C1	REAL250004579388	0	35	-1.0	-47.67	288.87	5.90	-41.77
CN(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C=C1	REAL250004579388	1	35	-1.0	-47.76	288.78	5.92	-41.84
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1=N[N-]N=N1	REAL250004579389	0	31	-1.0	-51.87	268.68	3.72	-48.15
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1=NN=N[N-]1	REAL250004579389	1	31	-1.0	-51.95	268.59	3.73	-48.22
CC(C)(C)OC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004579390	0	32	-1.0	-44.12	265.03	3.05	-41.07
CC(C)(C)OC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004579390	1	32	-1.0	-44.09	265.13	3.05	-41.04
CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2C=C1	REAL250004579391	0	28	-1.0	-46.57	252.23	4.91	-41.66
CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2C=C1	REAL250004579391	1	28	-1.0	-46.50	252.32	4.90	-41.60
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N1C	REAL250004579392	0	27	-1.0	-42.12	244.55	3.78	-38.34
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N1C	REAL250004579392	1	27	-1.0	-42.07	244.65	3.78	-38.29
CC1=CC(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C12	REAL250004579393	0	29	-1.0	-49.28	256.90	3.41	-45.87
CC1=CC(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C12	REAL250004579393	1	29	-1.0	-49.20	257.00	3.40	-45.80
CS(=O)(=O)C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004579394	0	30	-1.0	-42.69	252.29	-0.94	-43.63
CS(=O)(=O)C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004579394	1	30	-1.0	-42.79	252.20	-0.93	-43.72
O=C(CC1=CC=CC(Cl)=C1F)NC1=N[N-]N=N1	REAL250004579395	0	23	-1.0	-47.82	233.75	5.02	-42.80
O=C(CC1=CC=CC(Cl)=C1F)NC1=NN=N[N-]1	REAL250004579395	1	23	-1.0	-47.89	233.65	5.03	-42.86
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004579396	0	28	-1.0	-49.06	256.36	5.66	-43.40
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004579396	1	28	-1.0	-49.17	256.27	5.68	-43.49
CC(C)OC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004579397	0	33	-1.0	-46.49	282.25	6.07	-40.42
CC(C)OC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004579397	1	33	-1.0	-46.62	282.15	6.08	-40.54
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004579398	0	32	-1.0	-49.23	269.21	4.04	-45.19
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004579398	1	32	-1.0	-49.28	269.12	4.06	-45.22
CC1=C(C(=O)NC2=N[N-]N=N2)SC(Br)=N1	REAL250004579399	0	19	-1.0	-38.40	213.39	2.15	-36.25
CC1=C(C(=O)NC2=NN=N[N-]2)SC(Br)=N1	REAL250004579399	1	19	-1.0	-38.52	213.47	2.17	-36.35
CC1=NC(C(=O)NC2=N[N-]N=N2)=C(Br)S1	REAL250004579400	0	19	-1.0	-44.54	214.45	2.23	-42.31
CC1=NC(C(=O)NC2=NN=N[N-]2)=C(Br)S1	REAL250004579400	1	19	-1.0	-44.66	214.35	2.25	-42.41
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL250004579401	0	33	-1.0	-44.16	270.90	6.98	-37.18
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCCC2)C=C1	REAL250004579401	1	33	-1.0	-44.09	270.99	6.96	-37.13
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2Cl)C1	REAL250004579402	0	32	-1.0	-42.78	278.03	4.54	-38.24
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL250004579402	1	32	-1.0	-42.84	277.94	4.55	-38.29
CC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004579403	0	26	-1.0	-44.20	247.85	5.89	-38.31
CC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004579403	1	26	-1.0	-44.18	247.96	5.88	-38.30
O=C(CCCC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004579404	0	29	-1.0	-46.66	267.71	6.43	-40.23
O=C(CCCC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004579404	1	29	-1.0	-46.74	267.62	6.45	-40.29
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=N[N-]N=N1	REAL250004579405	0	35	-1.0	-60.37	291.73	5.47	-54.90
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=NN=N[N-]1	REAL250004579405	1	35	-1.0	-60.45	291.64	5.48	-54.97
O=C(COC1=CC(F)=CC(F)=C1)NC1=N[N-]N=N1	REAL250004579406	0	24	-1.0	-45.05	233.89	4.45	-40.60
O=C(COC1=CC(F)=CC(F)=C1)NC1=NN=N[N-]1	REAL250004579406	1	24	-1.0	-45.16	233.79	4.46	-40.70
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CCCC2)C=C1	REAL250004579407	0	31	-1.0	-43.94	268.03	7.15	-36.79
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CCCC2)C=C1	REAL250004579407	1	31	-1.0	-43.86	268.21	7.13	-36.73
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004579408	0	32	-1.0	-41.91	270.87	6.33	-35.58
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004579408	1	32	-1.0	-41.83	270.96	6.32	-35.51
CSCC1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004579409	0	26	-1.0	-47.65	243.57	3.98	-43.67
CSCC1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004579409	1	26	-1.0	-47.54	243.67	3.96	-43.58
O=C(NC1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL250004579410	0	22	-1.0	-42.94	223.09	3.14	-39.80
O=C(NC1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL250004579410	1	22	-1.0	-42.88	223.18	3.13	-39.75
O=C(NC1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL250004579411	0	25	-1.0	-43.79	246.47	-0.05	-43.84
O=C(NC1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL250004579411	1	25	-1.0	-43.71	246.57	-0.05	-43.76
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004579412	0	36	-1.0	-47.67	271.85	7.07	-40.60
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004579412	1	36	-1.0	-47.66	271.76	7.08	-40.58
O=C(NC1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL250004579413	0	30	-1.0	-43.93	261.19	0.98	-42.95
O=C(NC1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL250004579413	1	30	-1.0	-43.88	261.30	0.96	-42.92
CC1=CC=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004579414	0	23	-1.0	-46.79	230.69	4.72	-42.07
CC1=CC=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004579414	1	23	-1.0	-46.76	230.79	4.72	-42.04
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004579415	0	25	-1.0	-47.23	243.31	4.77	-42.46
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004579415	1	25	-1.0	-47.20	243.41	4.77	-42.43
CC1=C2SC(C(=O)NC3=NN=N[N-]3)=CC2=CC=C1	REAL250004579416	0	26	-1.0	-44.70	246.79	5.86	-38.84
CC1=C2SC(C(=O)NC3=N[N-]N=N3)=CC2=CC=C1	REAL250004579416	1	26	-1.0	-44.64	246.89	5.84	-38.80
CN1N=NC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004579417	0	19	-1.0	-37.86	209.26	0.58	-37.28
CN1N=NC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004579417	1	19	-1.0	-37.81	209.36	0.56	-37.25
O=C(NC1=NN=N[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL250004579418	0	23	-1.0	-43.39	242.35	4.76	-38.63
O=C(NC1=N[N-]N=N1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL250004579418	1	23	-1.0	-43.29	242.44	4.75	-38.54
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004579419	0	26	-1.0	-57.59	233.86	3.22	-54.37
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004579419	1	26	-1.0	-57.49	233.96	3.21	-54.28
O=C(NC1=N[N-]N=N1)C12CCC(C(F)(F)F)(CC1)CC2	REAL250004579420	0	33	-1.0	-41.93	267.87	5.60	-36.33
O=C(NC1=NN=N[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL250004579420	1	33	-1.0	-41.99	267.78	5.61	-36.38
CC1(C)COC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004579421	0	31	-1.0	-44.97	264.12	4.77	-40.20
CC1(C)COC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004579421	1	31	-1.0	-44.93	264.22	4.77	-40.16
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004579422	0	25	-1.0	-48.59	242.69	3.64	-44.95
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004579422	1	25	-1.0	-48.66	242.60	3.65	-45.01
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2F)C1	REAL250004579423	0	32	-1.0	-43.36	269.88	4.02	-39.34
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL250004579423	1	32	-1.0	-43.41	269.78	4.03	-39.38
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CS2)CCCCC1	REAL250004579424	0	36	-1.0	-50.19	292.02	6.94	-43.25
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL250004579424	1	36	-1.0	-50.33	291.93	6.95	-43.38
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579425	0	22	-1.0	-37.18	230.87	3.55	-33.63
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579425	1	22	-1.0	-37.22	230.77	3.55	-33.67
CC1=NOC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=C1	REAL250004579426	0	31	-1.0	-47.64	283.80	2.68	-44.96
CC1=NOC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=C1	REAL250004579426	1	31	-1.0	-47.74	283.69	2.69	-45.05
CCOC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579427	0	29	-1.0	-43.33	264.02	5.40	-37.93
CCOC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579427	1	29	-1.0	-43.23	264.11	5.39	-37.84
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL250004579428	0	26	-1.0	-42.35	247.52	5.91	-36.44
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL250004579428	1	26	-1.0	-42.24	247.62	5.90	-36.34
O=C(NC1=NN=N[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL250004579429	0	28	-1.0	-41.45	254.63	4.53	-36.92
O=C(NC1=N[N-]N=N1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL250004579429	1	28	-1.0	-41.41	254.73	4.52	-36.89
COC1=CC=C(C2=C(C(=O)NC3=NN=N[N-]3)N=CO2)C=C1	REAL250004579430	0	30	-1.0	-46.74	272.32	1.51	-45.23
COC1=CC=C(C2=C(C(=O)NC3=N[N-]N=N3)N=CO2)C=C1	REAL250004579430	1	30	-1.0	-46.69	272.41	1.49	-45.20
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=NN=N[N-]1	REAL250004579431	0	34	-1.0	-45.15	279.69	5.87	-39.28
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=N[N-]N=N1	REAL250004579431	1	34	-1.0	-45.10	279.79	5.84	-39.26
CC(=O)C1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL250004579432	0	34	-1.0	-49.64	301.81	6.09	-43.55
CC(=O)C1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL250004579432	1	34	-1.0	-49.70	301.71	6.11	-43.59
O=C(CCSC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004579433	0	27	-1.0	-41.90	269.07	6.24	-35.66
O=C(CCSC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004579433	1	27	-1.0	-41.98	268.98	6.26	-35.72
CN(C)C1=CC(C(=O)NC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004579434	0	33	-1.0	-45.86	284.97	4.10	-41.76
CN(C)C1=CC(C(=O)NC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004579434	1	33	-1.0	-45.82	285.06	4.09	-41.73
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL250004579435	0	34	-1.0	-50.96	280.46	3.20	-47.76
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL250004579435	1	34	-1.0	-50.91	280.56	3.19	-47.72
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL250004579436	0	26	-1.0	-46.66	247.39	2.84	-43.82
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)CSC2=C1	REAL250004579436	1	26	-1.0	-46.52	247.49	2.84	-43.68
O=C(NC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL250004579437	0	22	-1.0	-41.03	221.52	3.01	-38.02
O=C(NC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL250004579437	1	22	-1.0	-40.97	221.62	3.01	-37.96
COC(C)(C)C1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579438	0	32	-1.0	-43.47	279.22	2.34	-41.13
COC(C)(C)C1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579438	1	32	-1.0	-43.58	279.11	2.35	-41.23
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=N[N-]N=N1	REAL250004579439	0	26	-1.0	-48.97	254.63	3.32	-45.65
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=NN=N[N-]1	REAL250004579439	1	26	-1.0	-49.00	254.53	3.33	-45.67
O=C(NC1=N[N-]N=N1)C1CN(C(=O)C2CCCCC2)C1	REAL250004579440	0	37	-1.0	-46.80	302.63	4.54	-42.26
O=C(NC1=NN=N[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL250004579440	1	37	-1.0	-46.86	302.54	4.54	-42.32
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL250004579441	0	31	-1.0	-47.83	269.57	5.12	-42.71
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL250004579441	1	31	-1.0	-47.86	269.47	5.13	-42.73
CC(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004579442	0	29	-1.0	-44.95	262.37	5.99	-38.96
CC(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004579442	1	29	-1.0	-44.86	262.46	5.97	-38.89
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004579443	0	28	-1.0	-44.62	244.95	4.85	-39.77
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004579443	1	28	-1.0	-44.58	245.04	4.84	-39.74
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004579444	0	33	-1.0	-44.57	283.96	6.50	-38.07
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004579444	1	33	-1.0	-44.62	283.86	6.50	-38.12
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004579445	0	25	-1.0	-51.07	249.46	6.19	-44.88
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004579445	1	25	-1.0	-50.96	249.59	6.18	-44.78
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL250004579446	0	30	-1.0	-50.86	273.36	6.62	-44.24
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL250004579446	1	30	-1.0	-50.89	273.27	6.64	-44.25
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL250004579447	0	30	-1.0	-44.25	278.79	6.82	-37.43
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL250004579447	1	30	-1.0	-44.33	278.70	6.83	-37.50
O=C(COCC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004579448	0	27	-1.0	-48.59	263.36	5.33	-43.26
O=C(COCC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004579448	1	27	-1.0	-48.64	263.26	5.34	-43.30
CC1=CC=C(OC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2)C=C1	REAL250004579449	0	33	-1.0	-42.99	294.70	5.62	-37.37
CC1=CC=C(OC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2)C=C1	REAL250004579449	1	33	-1.0	-42.92	294.80	5.62	-37.30
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CO1	REAL250004579450	0	17	-1.0	-41.43	193.33	2.45	-38.98
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CO1	REAL250004579450	1	17	-1.0	-41.35	193.44	2.43	-38.92
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004579451	0	33	-1.0	-43.98	294.21	5.62	-38.36
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004579451	1	33	-1.0	-43.89	294.31	5.63	-38.26
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=N[N-]N=N1	REAL250004579452	0	37	-1.0	-47.03	306.03	6.73	-40.30
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=NN=N[N-]1	REAL250004579452	1	37	-1.0	-47.09	305.93	6.75	-40.34
CC1=CC=CC(OC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2)=C1	REAL250004579453	0	33	-1.0	-43.96	296.45	5.65	-38.31
CC1=CC=CC(OC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2)=C1	REAL250004579453	1	33	-1.0	-43.85	296.55	5.65	-38.20
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004579454	0	32	-1.0	-42.03	279.88	6.64	-35.39
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004579454	1	32	-1.0	-42.09	279.78	6.64	-35.45
O=C(NC1=NN=N[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL250004579455	0	23	-1.0	-60.55	225.70	3.06	-57.49
O=C(NC1=N[N-]N=N1)C1=C(N2C=CN=N2)C=CS1	REAL250004579455	1	23	-1.0	-60.47	225.81	3.05	-57.42
O=C(NC1=NN=N[N-]1)C1=CN=C(Br)S1	REAL250004579456	0	16	-1.0	-39.12	196.37	1.56	-37.56
O=C(NC1=N[N-]N=N1)C1=CN=C(Br)S1	REAL250004579456	1	16	-1.0	-39.03	196.38	1.52	-37.51
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=N[N-]N=N1	REAL250004579457	0	31	-1.0	-44.65	271.22	7.09	-37.56
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=NN=N[N-]1	REAL250004579457	1	31	-1.0	-44.71	271.12	7.10	-37.61
CC1=CC(Br)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579458	0	20	-1.0	-43.98	219.00	4.23	-39.75
CC1=CC(Br)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579458	1	20	-1.0	-43.92	219.10	4.21	-39.71
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004579459	0	40	-1.0	-45.43	318.01	3.71	-41.72
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004579459	1	40	-1.0	-45.51	317.91	3.72	-41.79
COC(=O)C1=C(CCC(=O)NC2=NN=N[N-]2)OC=N1	REAL250004579460	0	28	-1.0	-49.41	261.98	0.59	-48.82
COC(=O)C1=C(CCC(=O)NC2=N[N-]N=N2)OC=N1	REAL250004579460	1	28	-1.0	-49.35	262.07	0.57	-48.78
CN1C=CN=C1CN1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579461	0	38	-1.0	-51.60	302.87	3.42	-48.18
CN1C=CN=C1CN1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579461	1	38	-1.0	-51.68	302.78	3.43	-48.25
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)F)CC1	REAL250004579462	0	31	-1.0	-45.41	251.22	2.08	-43.33
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)F)CC1	REAL250004579462	1	31	-1.0	-45.48	251.13	2.10	-43.38
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL250004579463	0	33	-1.0	-42.63	277.79	2.70	-39.93
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL250004579463	1	33	-1.0	-42.57	277.89	2.68	-39.89
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004579464	0	20	-1.0	-43.78	213.40	2.04	-41.74
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004579464	1	20	-1.0	-43.69	213.50	2.02	-41.67
COC1=CC(Cl)=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579465	0	24	-1.0	-46.18	237.59	3.68	-42.50
COC1=CC(Cl)=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579465	1	24	-1.0	-46.11	237.69	3.65	-42.46
CCSC1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004579466	0	26	-1.0	-49.67	240.94	3.92	-45.75
CCSC1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004579466	1	26	-1.0	-49.62	241.04	3.90	-45.72
C[C@H](C(=O)NC1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL250004579467	0	30	-1.0	-53.63	270.90	4.82	-48.81
C[C@H](C(=O)NC1=NN=N[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL250004579467	1	30	-1.0	-53.70	270.81	4.84	-48.86
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004579468	0	29	-1.0	-48.99	246.50	6.60	-42.39
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004579468	1	29	-1.0	-48.87	246.60	6.60	-42.27
CN1C=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)O2)C=N1	REAL250004579469	0	27	-1.0	-46.03	256.27	3.45	-42.58
CN1C=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)C=N1	REAL250004579469	1	27	-1.0	-45.99	256.38	3.44	-42.55
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=N[N-]N=N1	REAL250004579470	0	27	-1.0	-46.83	260.84	4.87	-41.96
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=NN=N[N-]1	REAL250004579470	1	27	-1.0	-46.87	260.75	4.89	-41.98
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579471	0	30	-1.0	-41.73	267.28	5.11	-36.62
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579471	1	30	-1.0	-41.66	267.38	5.10	-36.56
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004579472	0	30	-1.0	-43.65	278.59	6.53	-37.12
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004579472	1	30	-1.0	-43.75	278.49	6.54	-37.21
CN1N=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004579473	0	20	-1.0	-39.96	214.29	2.03	-37.93
CN1N=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004579473	1	20	-1.0	-39.88	214.39	2.02	-37.86
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL250004579474	0	27	-1.0	-45.30	271.97	6.79	-38.51
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL250004579474	1	27	-1.0	-45.37	271.88	6.81	-38.56
O=C(CC1CSC2=CC=CC=C2O1)NC1=N[N-]N=N1	REAL250004579475	0	29	-1.0	-50.40	264.85	5.77	-44.63
O=C(CC1CSC2=CC=CC=C2O1)NC1=NN=N[N-]1	REAL250004579475	1	29	-1.0	-50.48	264.75	5.78	-44.70
O=C(NC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004579476	0	33	-1.0	-47.81	290.21	8.26	-39.55
O=C(NC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004579476	1	33	-1.0	-47.78	290.30	8.24	-39.54
CC(C)OC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004579477	0	32	-1.0	-41.98	282.62	6.10	-35.88
CC(C)OC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004579477	1	32	-1.0	-41.89	282.72	6.07	-35.82
CC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004579478	0	29	-1.0	-44.46	260.31	4.24	-40.22
CC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004579478	1	29	-1.0	-44.42	260.41	4.22	-40.20
CCOC1=CC=C(CC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579479	0	36	-1.0	-43.71	300.24	5.96	-37.75
CCOC1=CC=C(CC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579479	1	36	-1.0	-43.77	300.15	5.99	-37.78
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004579480	0	29	-1.0	-46.50	268.28	6.49	-40.01
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004579480	1	29	-1.0	-46.55	268.19	6.51	-40.04
CC1(C)CC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004579481	0	34	-1.0	-44.92	277.36	5.48	-39.44
CC1(C)CC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004579481	1	34	-1.0	-44.94	277.27	5.50	-39.44
CCC(CC)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579482	0	36	-1.0	-44.64	292.55	6.07	-38.57
CCC(CC)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579482	1	36	-1.0	-44.55	292.65	6.06	-38.49
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=N[N-]N=N1	REAL250004579483	0	35	-1.0	-51.09	296.30	4.17	-46.92
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=NN=N[N-]1	REAL250004579483	1	35	-1.0	-51.14	296.20	4.19	-46.95
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL250004579484	0	28	-1.0	-49.20	260.91	6.20	-43.00
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL250004579484	1	28	-1.0	-49.28	260.81	6.22	-43.06
CS(=O)(=O)C1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004579485	0	25	-1.0	-50.54	232.79	0.61	-49.93
CS(=O)(=O)C1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004579485	1	25	-1.0	-50.49	232.88	0.60	-49.89
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=N1	REAL250004579486	0	32	-1.0	-44.52	279.45	4.74	-39.78
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL250004579486	1	32	-1.0	-44.58	279.35	4.74	-39.84
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004579487	0	27	-1.0	-43.92	256.79	6.34	-37.58
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004579487	1	27	-1.0	-43.98	256.70	6.36	-37.62
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COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004579488	1	31	-1.0	-48.86	268.35	5.19	-43.67
CCC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004579489	0	32	-1.0	-44.46	279.19	4.99	-39.47
CCC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004579489	1	32	-1.0	-44.38	279.29	4.98	-39.40
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CCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1=CC=CC=C1	REAL250004579491	1	35	-1.0	-45.53	305.41	5.14	-40.39
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CC(C)=CCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579494	0	37	-1.0	-47.56	315.82	6.74	-40.82
CC(C)=CCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004579494	1	37	-1.0	-47.64	315.73	6.76	-40.88
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O=C(NC1=NN=N[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004579496	1	34	-1.0	-52.31	271.40	6.09	-46.22
COC1=CC=C2ON=C(CC(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579497	0	29	-1.0	-51.28	265.04	3.08	-48.20
COC1=CC=C2ON=C(CC(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579497	1	29	-1.0	-51.39	264.95	3.09	-48.30
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=N[N-]N=N1	REAL250004579498	0	25	-1.0	-48.91	241.99	3.85	-45.06
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COC1CCCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004579499	0	34	-1.0	-49.65	272.53	3.08	-46.57
COC1CCCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004579499	1	34	-1.0	-49.67	272.44	3.09	-46.58
CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=N[N-]N=N2)C1	REAL250004579500	0	37	-1.0	-43.72	304.20	3.69	-40.03
CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=NN=N[N-]2)C1	REAL250004579500	1	37	-1.0	-43.78	304.10	3.70	-40.08
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004579501	0	40	-1.0	-50.09	327.76	3.51	-46.58
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004579501	1	40	-1.0	-50.12	327.67	3.51	-46.61
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579502	0	23	-1.0	-48.91	242.14	0.40	-48.51
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579502	1	23	-1.0	-48.80	242.25	0.39	-48.41
CN1N=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004579503	0	29	-1.0	-51.00	262.00	4.35	-46.65
CN1N=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004579503	1	29	-1.0	-50.94	262.10	4.33	-46.61
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004579504	0	28	-1.0	-43.49	247.66	5.68	-37.81
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004579504	1	28	-1.0	-43.43	247.79	5.66	-37.77
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004579505	0	30	-1.0	-47.49	261.28	5.94	-41.55
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004579505	1	30	-1.0	-47.40	261.38	5.93	-41.47
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL250004579506	0	33	-1.0	-47.51	293.46	5.34	-42.17
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL250004579506	1	33	-1.0	-47.42	293.56	5.33	-42.09
CC1CCC(C)(C=CC(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004579507	0	39	-1.0	-44.20	292.41	6.39	-37.81
CC1CCC(C)(C=CC(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004579507	1	39	-1.0	-44.28	292.32	6.40	-37.88
O=C(NC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004579508	0	30	-1.0	-46.80	260.11	6.20	-40.60
O=C(NC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004579508	1	30	-1.0	-46.82	259.99	6.20	-40.62
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL250004579509	0	37	-1.0	-47.36	306.20	3.82	-43.54
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL250004579509	1	37	-1.0	-47.49	306.10	3.83	-43.66
O=C(CC1=NSC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004579510	0	25	-1.0	-49.20	242.89	4.45	-44.75
O=C(CC1=NSC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004579510	1	25	-1.0	-49.24	242.80	4.47	-44.77
CC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL250004579511	0	30	-1.0	-43.84	276.36	6.50	-37.34
CC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL250004579511	1	30	-1.0	-43.90	276.25	6.50	-37.40
COC1=CC2=NC=C(C(=O)NC3=NN=N[N-]3)N2C=C1	REAL250004579512	0	27	-1.0	-45.81	242.48	3.42	-42.39
COC1=CC2=NC=C(C(=O)NC3=N[N-]N=N3)N2C=C1	REAL250004579512	1	27	-1.0	-45.69	242.59	3.40	-42.29
CC1=C(Br)C=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004579513	0	20	-1.0	-42.60	221.74	4.19	-38.41
CC1=C(Br)C=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004579513	1	20	-1.0	-42.53	221.85	4.18	-38.35
CCC(CC1=CC=CC=C1C)C(=O)NC1=N[N-]N=N1	REAL250004579514	0	35	-1.0	-43.15	279.35	6.61	-36.54
CCC(CC1=CC=CC=C1C)C(=O)NC1=NN=N[N-]1	REAL250004579514	1	35	-1.0	-43.19	279.28	6.62	-36.57
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=NN=N[N-]1	REAL250004579515	0	29	-1.0	-50.10	262.98	7.46	-42.64
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=N[N-]N=N1	REAL250004579515	1	29	-1.0	-49.97	263.07	7.44	-42.53
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=N[N-]N=N1	REAL250004579516	0	30	-1.0	-45.90	272.81	4.87	-41.03
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=NN=N[N-]1	REAL250004579516	1	30	-1.0	-45.96	272.71	4.88	-41.08
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Br)O1	REAL250004579517	0	20	-1.0	-40.24	210.77	3.31	-36.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Br)O1	REAL250004579517	1	20	-1.0	-40.19	210.87	3.30	-36.89
CC(=O)NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579518	0	30	-1.0	-49.61	268.24	3.38	-46.23
CC(=O)NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004579518	1	30	-1.0	-49.67	268.15	3.40	-46.27
O=C(NC1=NN=N[N-]1)C1=COC(=O)C2=CC=CC=C12	REAL250004579519	0	25	-1.0	-43.78	230.78	5.13	-38.65
O=C(NC1=N[N-]N=N1)C1=COC(=O)C2=CC=CC=C12	REAL250004579519	1	25	-1.0	-43.69	230.88	5.13	-38.56
COC(=O)N1CC2CCC1C(C(=O)NC1=N[N-]N=N1)C2	REAL250004579520	0	35	-1.0	-56.62	280.76	4.36	-52.26
COC(=O)N1CC2CCC1C(C(=O)NC1=NN=N[N-]1)C2	REAL250004579520	1	35	-1.0	-56.71	280.67	4.37	-52.34
COC(=O)N1CC2C=CC1C(C(=O)NC1=N[N-]N=N1)C2	REAL250004579521	0	33	-1.0	-55.89	272.75	4.41	-51.48
COC(=O)N1CC2C=CC1C(C(=O)NC1=NN=N[N-]1)C2	REAL250004579521	1	33	-1.0	-55.96	272.66	4.43	-51.53
O=C(NC1=N[N-]N=N1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL250004579522	0	33	-1.0	-40.69	258.70	5.61	-35.08
O=C(NC1=NN=N[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL250004579522	1	33	-1.0	-40.72	258.57	5.62	-35.10
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004579523	0	34	-1.0	-50.45	287.66	2.95	-47.50
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004579523	1	34	-1.0	-50.53	287.57	2.96	-47.57
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579524	0	36	-1.0	-46.39	307.94	6.87	-39.52
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579524	1	36	-1.0	-46.36	308.04	6.86	-39.50
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004579525	0	33	-1.0	-44.24	275.51	6.82	-37.42
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004579525	1	33	-1.0	-44.24	275.42	6.83	-37.41
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579526	0	30	-1.0	-45.02	272.88	5.63	-39.39
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579526	1	30	-1.0	-44.94	272.98	5.62	-39.32
CC(C)(C)OC(=O)CC1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004579527	0	38	-1.0	-52.95	303.62	6.36	-46.59
CC(C)(C)OC(=O)CC1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004579527	1	38	-1.0	-52.99	303.53	6.38	-46.61
O=C(NC1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL250004579528	0	22	-1.0	-51.28	235.93	3.93	-47.35
O=C(NC1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL250004579528	1	22	-1.0	-51.24	236.03	3.92	-47.32
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004579529	0	27	-1.0	-44.03	254.79	5.03	-39.00
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004579529	1	27	-1.0	-43.97	254.89	5.03	-38.94
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004579530	0	32	-1.0	-43.12	267.05	4.98	-38.14
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004579530	1	32	-1.0	-43.18	266.95	5.00	-38.18
COC1=CC=C2C(=C1)C(C(=O)NC1=NN=N[N-]1)=C(C)N2C	REAL250004579531	0	34	-1.0	-55.19	293.49	5.18	-50.01
COC1=CC=C2C(=C1)C(C(=O)NC1=N[N-]N=N1)=C(C)N2C	REAL250004579531	1	34	-1.0	-55.15	293.59	5.16	-49.99
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004579532	0	29	-1.0	-44.84	273.13	6.24	-38.60
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004579532	1	29	-1.0	-44.85	273.04	6.26	-38.59
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004579533	0	34	-1.0	-42.40	294.46	4.79	-37.61
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004579533	1	34	-1.0	-42.35	294.55	4.77	-37.58
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004579534	0	23	-1.0	-44.08	242.85	5.73	-38.35
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004579534	1	23	-1.0	-44.03	242.96	5.72	-38.31
O=C(CC1=CC=C2OCCCC2=C1)NC1=N[N-]N=N1	REAL250004579535	0	31	-1.0	-46.70	265.85	5.11	-41.59
O=C(CC1=CC=C2OCCCC2=C1)NC1=NN=N[N-]1	REAL250004579535	1	31	-1.0	-46.81	265.76	5.12	-41.69
CSC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579536	0	33	-1.0	-47.22	295.26	7.08	-40.14
CSC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579536	1	33	-1.0	-47.27	295.16	7.10	-40.17
O=C(CN1N=NN=C1C1=CSC=C1)NC1=N[N-]N=N1	REAL250004579537	0	25	-1.0	-48.91	246.16	2.39	-46.52
O=C(CN1N=NN=C1C1=CSC=C1)NC1=NN=N[N-]1	REAL250004579537	1	25	-1.0	-48.96	246.07	2.40	-46.56
CC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL250004579538	0	28	-1.0	-53.25	264.77	5.71	-47.54
CC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL250004579538	1	28	-1.0	-53.17	264.87	5.71	-47.46
CCOC(=O)C1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004579539	0	38	-1.0	-47.64	308.50	6.31	-41.33
CCOC(=O)C1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004579539	1	38	-1.0	-47.75	308.41	6.32	-41.43
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCC1	REAL250004579540	0	30	-1.0	-48.15	258.76	6.14	-42.01
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250004579540	1	30	-1.0	-48.24	258.66	6.14	-42.10
CC(C)(C)OC(=O)CCCC(=O)NC1=N[N-]N=N1	REAL250004579541	0	34	-1.0	-51.43	284.01	5.10	-46.33
CC(C)(C)OC(=O)CCCC(=O)NC1=NN=N[N-]1	REAL250004579541	1	34	-1.0	-51.51	283.91	5.11	-46.40
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=NN=N[N-]1	REAL250004579542	0	27	-1.0	-48.85	251.62	6.02	-42.83
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=N[N-]N=N1	REAL250004579542	1	27	-1.0	-48.77	251.72	6.01	-42.76
CC1(C)CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2O1	REAL250004579543	0	31	-1.0	-44.80	264.82	5.04	-39.76
CC1(C)CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2O1	REAL250004579543	1	31	-1.0	-44.69	264.92	5.04	-39.65
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CC1=NN=NN1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579601	1	28	-1.0	-48.16	254.80	3.83	-44.33
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004579602	0	36	-1.0	-48.56	307.53	5.68	-42.88
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004579602	1	36	-1.0	-48.66	307.43	5.70	-42.96
O=C(CCCC1=CC=C2CCCCC2=C1)NC1=N[N-]N=N1	REAL250004579603	0	39	-1.0	-46.49	317.74	8.56	-37.93
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O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OCCCO2	REAL250004579604	0	29	-1.0	-50.56	248.14	4.75	-45.81
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O=C(NC1=NN=N[N-]1)C1(N2C=NN=N2)CCCCC1	REAL250004579605	0	31	-1.0	-40.87	255.47	3.73	-37.14
O=C(NC1=N[N-]N=N1)C1(N2C=NN=N2)CCCCC1	REAL250004579605	1	31	-1.0	-40.77	255.55	3.73	-37.04
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004579606	0	30	-1.0	-46.39	265.67	6.41	-39.98
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004579606	1	30	-1.0	-46.40	265.56	6.42	-39.98
O=C(NC1=NN=N[N-]1)C1=NSC=C1Br	REAL250004579607	0	16	-1.0	-44.72	191.31	1.91	-42.81
O=C(NC1=N[N-]N=N1)C1=NSC=C1Br	REAL250004579607	1	16	-1.0	-44.66	191.41	1.91	-42.75
O=C(NC1=NN=N[N-]1)C(CC1CCCO1)C(F)(F)F	REAL250004579608	0	30	-1.0	-41.17	260.57	3.62	-37.55
O=C(NC1=N[N-]N=N1)C(CC1CCCO1)C(F)(F)F	REAL250004579608	1	30	-1.0	-41.09	260.66	3.61	-37.48
O=C(NC1=NN=N[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004579609	0	23	-1.0	-49.57	232.37	5.60	-43.97
O=C(NC1=N[N-]N=N1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004579609	1	23	-1.0	-49.51	232.47	5.59	-43.92
O=C(CC1(CN2C=NN=N2)CCCCC1)NC1=NN=N[N-]1	REAL250004579610	0	37	-1.0	-43.62	284.32	5.39	-38.23
O=C(CC1(CN2C=NN=N2)CCCCC1)NC1=N[N-]N=N1	REAL250004579610	1	37	-1.0	-43.51	284.41	5.38	-38.13
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004579611	0	26	-1.0	-43.68	244.79	5.54	-38.14
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004579611	1	26	-1.0	-43.74	244.70	5.56	-38.18
O=C(CC1C2CC3CC(C2)CC1C3)NC1=N[N-]N=N1	REAL250004579612	0	37	-1.0	-44.71	265.92	6.23	-38.48
O=C(CC1C2CC3CC(C2)CC1C3)NC1=NN=N[N-]1	REAL250004579612	1	37	-1.0	-44.85	265.83	6.24	-38.61
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004579613	0	34	-1.0	-49.77	288.95	1.99	-47.78
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004579613	1	34	-1.0	-49.85	288.86	2.01	-47.84
CC1=CC=CC(C2=CC=C(C(=O)NC3=NN=N[N-]3)N2C)=C1	REAL250004579614	0	34	-1.0	-44.76	286.55	7.10	-37.66
CC1=CC=CC(C2=CC=C(C(=O)NC3=N[N-]N=N3)N2C)=C1	REAL250004579614	1	34	-1.0	-44.68	286.66	7.09	-37.59
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004579615	0	30	-1.0	-44.70	260.60	2.90	-41.80
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004579615	1	30	-1.0	-44.77	260.50	2.92	-41.85
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NC1=N[N-]N=N1	REAL250004579616	0	26	-1.0	-46.37	251.75	3.58	-42.79
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NC1=NN=N[N-]1	REAL250004579616	1	26	-1.0	-46.48	251.66	3.59	-42.89
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004579617	0	38	-1.0	-50.91	304.67	6.05	-44.86
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004579617	1	38	-1.0	-50.96	304.58	6.08	-44.88
O=C(CC12CCCCC1C2(F)F)NC1=N[N-]N=N1	REAL250004579618	0	30	-1.0	-40.44	248.86	5.23	-35.21
O=C(CC12CCCCC1C2(F)F)NC1=NN=N[N-]1	REAL250004579618	1	30	-1.0	-40.47	248.77	5.24	-35.23
CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004579619	0	26	-1.0	-42.00	241.61	5.64	-36.36
CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004579619	1	26	-1.0	-41.93	241.71	5.63	-36.30
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579620	0	34	-1.0	-47.35	289.97	5.91	-41.44
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579620	1	34	-1.0	-47.44	289.88	5.92	-41.52
O=C(NC1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004579621	0	22	-1.0	-44.79	238.27	3.75	-41.04
O=C(NC1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004579621	1	22	-1.0	-44.74	238.37	3.74	-41.00
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250004579622	0	25	-1.0	-45.05	229.61	4.30	-40.75
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL250004579622	1	25	-1.0	-44.99	229.71	4.30	-40.69
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL250004579623	0	23	-1.0	-42.14	251.53	4.99	-37.15
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL250004579623	1	23	-1.0	-42.06	251.63	4.98	-37.08
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004579624	0	26	-1.0	-47.14	244.75	3.54	-43.60
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004579624	1	26	-1.0	-47.11	244.83	3.52	-43.59
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004579625	0	22	-1.0	-45.08	231.72	3.69	-41.39
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004579625	1	22	-1.0	-44.99	231.82	3.69	-41.30
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL250004579626	0	26	-1.0	-41.74	238.56	3.50	-38.24
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1	REAL250004579626	1	26	-1.0	-41.70	238.66	3.49	-38.21
O=C(NC1=N[N-]N=N1)C1COCC1C1=CC=CC=C1	REAL250004579627	0	31	-1.0	-46.71	263.15	4.29	-42.42
O=C(NC1=NN=N[N-]1)C1COCC1C1=CC=CC=C1	REAL250004579627	1	31	-1.0	-46.78	263.06	4.30	-42.48
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004579628	0	36	-1.0	-42.85	292.77	6.02	-36.83
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004579628	1	36	-1.0	-42.93	292.67	6.03	-36.90
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C(C)(C)C	REAL250004579629	0	40	-1.0	-49.93	309.81	6.61	-43.32
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C(C)(C)C	REAL250004579629	1	40	-1.0	-49.97	309.74	6.63	-43.34
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C1CC1	REAL250004579630	0	35	-1.0	-49.31	287.31	6.52	-42.79
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C1CC1	REAL250004579630	1	35	-1.0	-49.39	287.21	6.53	-42.86
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579631	0	41	-1.0	-53.67	316.36	6.56	-47.11
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579631	1	41	-1.0	-53.75	316.25	6.58	-47.17
COC1(C(=O)NC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004579632	0	30	-1.0	-39.53	244.17	2.91	-36.62
COC1(C(=O)NC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004579632	1	30	-1.0	-39.59	244.08	2.93	-36.66
CN1C=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004579633	0	31	-1.0	-51.17	267.42	6.69	-44.48
CN1C=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004579633	1	31	-1.0	-51.07	267.51	6.68	-44.39
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004579634	0	26	-1.0	-38.75	252.47	4.87	-33.88
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004579634	1	26	-1.0	-38.67	252.57	4.86	-33.81
CC1(C)CC(C(=O)NC2=N[N-]N=N2)CC(C)(C)C1	REAL250004579635	0	38	-1.0	-43.07	284.31	5.94	-37.13
CC1(C)CC(C(=O)NC2=NN=N[N-]2)CC(C)(C)C1	REAL250004579635	1	38	-1.0	-43.13	284.22	5.95	-37.18
CC1(C)OC(=O)C2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004579636	0	30	-1.0	-63.68	262.11	6.32	-57.36
CC1(C)OC(=O)C2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004579636	1	30	-1.0	-63.61	262.21	6.31	-57.30
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)O1	REAL250004579637	0	26	-1.0	-42.21	245.40	3.38	-38.83
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)O1	REAL250004579637	1	26	-1.0	-42.13	245.49	3.35	-38.78
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004579638	0	23	-1.0	-51.44	226.30	3.48	-47.96
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004579638	1	23	-1.0	-51.34	226.40	3.48	-47.86
O=C(NC1=NN=N[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL250004579639	0	24	-1.0	-42.63	243.77	5.28	-37.35
O=C(NC1=N[N-]N=N1)C1=CC=CC(SC(F)(F)F)=C1	REAL250004579639	1	24	-1.0	-42.52	243.87	5.26	-37.26
COC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004579640	0	27	-1.0	-43.29	249.00	3.96	-39.33
COC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004579640	1	27	-1.0	-43.35	248.91	3.98	-39.37
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC2=CC=NC=C21	REAL250004579641	0	25	-1.0	-52.55	237.66	4.09	-48.46
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC2=CC=NC=C21	REAL250004579641	1	25	-1.0	-52.51	237.76	4.08	-48.43
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250004579642	0	25	-1.0	-45.65	242.58	0.48	-45.17
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL250004579642	1	25	-1.0	-45.56	242.69	0.47	-45.09
COCCCN1N=C(C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004579643	0	32	-1.0	-42.02	286.98	1.63	-40.39
COCCCN1N=C(C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004579643	1	32	-1.0	-42.10	286.89	1.63	-40.47
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004579644	0	37	-1.0	-41.43	273.24	4.76	-36.67
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004579644	1	37	-1.0	-41.50	273.15	4.78	-36.72
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004579645	0	34	-1.0	-45.54	291.88	5.31	-40.23
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004579645	1	34	-1.0	-45.52	291.98	5.30	-40.22
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL250004579646	0	27	-1.0	-42.02	254.29	4.19	-37.83
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL250004579646	1	27	-1.0	-41.89	254.39	4.17	-37.72
CC(C)(C)N1N=NC(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004579647	0	30	-1.0	-51.15	265.51	2.04	-49.11
CC(C)(C)N1N=NC(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004579647	1	30	-1.0	-51.21	265.41	2.06	-49.15
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004579648	0	28	-1.0	-41.83	255.78	3.97	-37.86
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579648	1	28	-1.0	-41.73	255.88	3.97	-37.76
O=C(NC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004579649	0	23	-1.0	-42.22	243.20	5.73	-36.49
O=C(NC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004579649	1	23	-1.0	-42.16	243.30	5.71	-36.45
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579650	0	31	-1.0	-45.96	269.55	5.12	-40.84
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579650	1	31	-1.0	-46.00	269.46	5.13	-40.87
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004579651	0	29	-1.0	-46.82	266.64	5.46	-41.36
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004579651	1	29	-1.0	-46.71	266.74	5.44	-41.27
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=N[N-]N=N1	REAL250004579652	0	39	-1.0	-44.75	314.00	8.28	-36.47
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=NN=N[N-]1	REAL250004579652	1	39	-1.0	-44.85	313.91	8.30	-36.55
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCCCC1	REAL250004579653	0	29	-1.0	-41.92	239.08	4.80	-37.12
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCCCC1	REAL250004579653	1	29	-1.0	-41.94	238.98	4.81	-37.13
CN(C)C(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579654	0	36	-1.0	-47.94	283.84	3.86	-44.08
CN(C)C(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579654	1	36	-1.0	-47.97	283.73	3.88	-44.09
CC1=C(Br)C=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004579655	0	22	-1.0	-39.85	216.90	3.22	-36.63
CC1=C(Br)C=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004579655	1	22	-1.0	-39.95	216.81	3.22	-36.73
COC1=CC=C(OC(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579656	0	34	-1.0	-45.99	277.29	4.43	-41.56
COC1=CC=C(OC(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579656	1	34	-1.0	-46.03	277.20	4.45	-41.58
CC(C)CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004579657	0	35	-1.0	-42.63	303.08	7.46	-35.17
CC(C)CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004579657	1	35	-1.0	-42.71	302.99	7.48	-35.23
COC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004579658	0	27	-1.0	-47.91	255.18	4.24	-43.67
COC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004579658	1	27	-1.0	-47.96	255.08	4.26	-43.70
O=C(CCC1CC1(Cl)Cl)NC1=N[N-]N=N1	REAL250004579659	0	23	-1.0	-44.71	236.69	4.83	-39.88
O=C(CCC1CC1(Cl)Cl)NC1=NN=N[N-]1	REAL250004579659	1	23	-1.0	-44.78	236.59	4.84	-39.94
O=C(NC1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004579660	0	26	-1.0	-55.96	244.28	3.81	-52.15
O=C(NC1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004579660	1	26	-1.0	-55.90	244.38	3.78	-52.12
O=C(NC1=NN=N[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250004579661	0	29	-1.0	-44.54	243.13	1.26	-43.28
O=C(NC1=N[N-]N=N1)C1(N2C=NN=N2)CCOCC1	REAL250004579661	1	29	-1.0	-44.49	243.22	1.25	-43.24
CC(C)N(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004579662	0	39	-1.0	-49.37	309.59	4.84	-44.53
CC(C)N(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004579662	1	39	-1.0	-49.46	309.50	4.85	-44.61
CC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004579663	0	35	-1.0	-45.75	295.70	6.34	-39.41
CC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004579663	1	35	-1.0	-45.81	295.60	6.35	-39.46
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004579664	0	25	-1.0	-41.64	257.96	6.16	-35.48
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004579664	1	25	-1.0	-41.38	257.86	6.16	-35.22
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004579665	0	26	-1.0	-45.10	245.57	6.58	-38.52
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004579665	1	26	-1.0	-45.04	245.66	6.58	-38.46
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004579666	0	31	-1.0	-48.79	267.59	0.46	-48.33
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004579666	1	31	-1.0	-48.86	267.50	0.48	-48.38
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004579667	0	31	-1.0	-50.69	280.66	3.97	-46.72
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004579667	1	31	-1.0	-50.74	280.56	3.98	-46.76
CC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Br	REAL250004579668	0	26	-1.0	-44.93	248.56	5.55	-39.38
CC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Br	REAL250004579668	1	26	-1.0	-45.01	248.47	5.57	-39.44
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004579669	0	29	-1.0	-55.05	265.03	4.24	-50.81
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004579669	1	29	-1.0	-54.96	265.13	4.22	-50.74
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCOCC1	REAL250004579670	0	27	-1.0	-40.33	230.70	2.45	-37.88
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCOCC1	REAL250004579670	1	27	-1.0	-40.41	230.61	2.46	-37.95
CCC1(C(=O)NC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004579671	0	32	-1.0	-44.17	253.37	5.00	-39.17
CCC1(C(=O)NC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004579671	1	32	-1.0	-44.31	253.42	5.00	-39.31
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL250004579672	0	23	-1.0	-41.43	233.59	2.46	-38.97
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL250004579672	1	23	-1.0	-41.40	233.69	2.45	-38.95
O=C(NC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004579673	0	32	-1.0	-49.44	260.16	5.04	-44.40
O=C(NC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004579673	1	32	-1.0	-49.52	260.06	5.04	-44.48
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL250004579674	0	23	-1.0	-43.03	238.65	5.33	-37.70
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL250004579674	1	23	-1.0	-42.93	238.74	5.31	-37.62
O=C(NC1=N[N-]N=N1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL250004579675	0	33	-1.0	-45.53	279.68	7.06	-38.47
O=C(NC1=NN=N[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL250004579675	1	33	-1.0	-45.62	279.60	7.08	-38.54
COC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004579676	0	31	-1.0	-48.59	261.18	2.69	-45.90
COC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004579676	1	31	-1.0	-48.66	261.09	2.71	-45.95
O=C(CCC1=CC=CN=C1Cl)NC1=NN=N[N-]1	REAL250004579677	0	25	-1.0	-46.05	241.12	3.82	-42.23
O=C(CCC1=CC=CN=C1Cl)NC1=N[N-]N=N1	REAL250004579677	1	25	-1.0	-46.00	241.21	3.81	-42.19
COC(C)(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004579678	0	35	-1.0	-45.81	285.91	4.53	-41.28
COC(C)(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004579678	1	35	-1.0	-45.85	285.82	4.55	-41.30
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CC1(C)C	REAL250004579679	0	38	-1.0	-42.36	298.56	6.28	-36.08
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CC1(C)C	REAL250004579679	1	38	-1.0	-42.40	298.47	6.29	-36.11
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL250004579680	0	41	-1.0	-49.10	314.65	7.98	-41.12
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL250004579680	1	41	-1.0	-49.22	314.56	8.00	-41.22
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)O1	REAL250004579681	0	27	-1.0	-52.30	267.94	0.80	-51.50
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)O1	REAL250004579681	1	27	-1.0	-52.42	267.83	0.80	-51.62
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004579682	0	29	-1.0	-45.36	264.94	6.46	-38.90
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004579682	1	29	-1.0	-45.29	265.05	6.45	-38.84
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004579683	0	26	-1.0	-53.35	252.46	0.12	-53.23
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004579683	1	26	-1.0	-53.26	252.57	0.10	-53.16
O=C(NC1=NN=N[N-]1)C1=CC2=CSC=C2S1	REAL250004579684	0	20	-1.0	-45.02	217.56	4.17	-40.85
O=C(NC1=N[N-]N=N1)C1=CC2=CSC=C2S1	REAL250004579684	1	20	-1.0	-44.96	217.66	4.16	-40.80
O=C(NC1=N[N-]N=N1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004579685	0	28	-1.0	-47.69	254.92	6.75	-40.94
O=C(NC1=NN=N[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004579685	1	28	-1.0	-47.73	254.83	6.76	-40.97
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL250004579686	0	27	-1.0	-49.09	269.48	6.69	-42.40
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL250004579686	1	27	-1.0	-49.14	269.39	6.71	-42.43
CC1=CC=C2OC=C(CC(=O)NC3=NN=N[N-]3)C2=C1	REAL250004579687	0	29	-1.0	-48.93	261.37	5.52	-43.41
CC1=CC=C2OC=C(CC(=O)NC3=N[N-]N=N3)C2=C1	REAL250004579687	1	29	-1.0	-48.89	261.46	5.50	-43.39
COC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004579688	0	27	-1.0	-45.66	250.37	4.66	-41.00
COC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004579688	1	27	-1.0	-45.74	250.28	4.67	-41.07
CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004579689	0	32	-1.0	-42.14	285.88	6.97	-35.17
CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004579689	1	32	-1.0	-42.19	285.79	6.99	-35.20
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2CCCCC21	REAL250004579690	0	34	-1.0	-46.79	270.50	2.32	-44.47
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2CCCCC21	REAL250004579690	1	34	-1.0	-46.85	270.41	2.35	-44.50
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004579691	0	25	-1.0	-49.48	244.31	3.88	-45.60
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004579691	1	25	-1.0	-49.44	244.41	3.86	-45.58
O=C(NC1=N[N-]N=N1)C1CCC2=CC=CC=C2CC1	REAL250004579692	0	33	-1.0	-44.71	264.83	6.68	-38.03
O=C(NC1=NN=N[N-]1)C1CCC2=CC=CC=C2CC1	REAL250004579692	1	33	-1.0	-44.79	264.74	6.69	-38.10
CC1=CC=C(COC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579693	0	33	-1.0	-48.48	287.82	6.19	-42.29
CC1=CC=C(COC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579693	1	33	-1.0	-48.55	287.73	6.21	-42.34
CCCCCCCCC(C)C(=O)NC1=N[N-]N=N1	REAL250004579694	0	40	-1.0	-43.68	318.80	7.46	-36.22
CCCCCCCCC(C)C(=O)NC1=NN=N[N-]1	REAL250004579694	1	40	-1.0	-43.79	318.70	7.48	-36.31
CC(C)(C)OC(=O)NC1(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004579695	0	37	-1.0	-45.73	307.11	3.00	-42.73
CC(C)(C)OC(=O)NC1(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004579695	1	37	-1.0	-45.82	307.01	3.01	-42.81
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL250004579696	0	27	-1.0	-48.27	251.68	4.37	-43.90
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL250004579696	1	27	-1.0	-48.21	251.78	4.37	-43.84
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004579697	0	29	-1.0	-43.46	254.98	4.14	-39.32
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004579697	1	29	-1.0	-43.40	255.08	4.12	-39.28
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004579698	0	29	-1.0	-43.46	254.98	4.14	-39.32
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004579698	1	29	-1.0	-43.40	255.08	4.12	-39.28
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004579699	0	28	-1.0	-46.34	261.27	4.99	-41.35
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004579699	1	28	-1.0	-46.25	261.37	4.97	-41.28
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004579700	0	24	-1.0	-42.24	237.28	3.78	-38.46
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004579700	1	24	-1.0	-42.15	237.38	3.75	-38.40
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL250004579701	0	27	-1.0	-41.36	253.35	4.35	-37.01
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL250004579701	1	27	-1.0	-41.23	253.45	4.35	-36.88
O=C(NC1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL250004579702	0	28	-1.0	-40.78	248.44	4.40	-36.38
O=C(NC1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250004579702	1	28	-1.0	-40.85	248.35	4.41	-36.44
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004579703	0	26	-1.0	-50.12	252.34	0.19	-49.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004579703	1	26	-1.0	-50.01	252.44	0.17	-49.84
CC1=CC=CC=C1COC(C)C(=O)NC1=N[N-]N=N1	REAL250004579704	0	33	-1.0	-49.13	281.79	6.25	-42.88
CC1=CC=CC=C1COC(C)C(=O)NC1=NN=N[N-]1	REAL250004579704	1	33	-1.0	-49.22	281.70	6.27	-42.95
CC(C)(C)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579705	0	35	-1.0	-44.72	283.83	6.83	-37.89
CC(C)(C)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579705	1	35	-1.0	-44.66	283.93	6.81	-37.85
COC(=O)C1(C(=O)NC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004579706	0	33	-1.0	-42.98	275.56	5.32	-37.66
COC(=O)C1(C(=O)NC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004579706	1	33	-1.0	-43.04	275.46	5.33	-37.71
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004579707	0	29	-1.0	-45.35	248.74	4.64	-40.71
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004579707	1	29	-1.0	-45.43	248.65	4.65	-40.78
O=C(NC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250004579708	0	20	-1.0	-43.56	219.29	3.92	-39.64
O=C(NC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL250004579708	1	20	-1.0	-43.43	219.39	3.90	-39.53
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004579709	0	33	-1.0	-45.18	271.87	6.80	-38.38
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004579709	1	33	-1.0	-45.32	271.77	6.82	-38.50
COCCCN1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579710	0	30	-1.0	-47.24	269.14	2.27	-44.97
COCCCN1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579710	1	30	-1.0	-47.20	269.24	2.26	-44.94
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004579711	0	34	-1.0	-49.98	287.06	3.11	-46.87
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004579711	1	34	-1.0	-50.04	286.96	3.13	-46.91
CN1C=C(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)C=N1	REAL250004579712	0	31	-1.0	-46.58	272.96	2.58	-44.00
CN1C=C(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)C=N1	REAL250004579712	1	31	-1.0	-46.52	273.06	2.56	-43.96
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004579713	0	29	-1.0	-51.00	265.04	4.21	-46.79
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004579713	1	29	-1.0	-50.93	265.14	4.20	-46.73
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004579714	0	29	-1.0	-64.58	244.34	2.65	-61.93
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004579714	1	29	-1.0	-64.68	244.25	2.65	-62.03
CS(=O)(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579715	1	27	-1.0	-50.32	256.33	0.05	-50.27
CS(=O)(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579715	1	27	-1.0	-50.27	256.43	0.05	-50.22
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250004579716	0	26	-1.0	-45.37	234.26	3.00	-42.37
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL250004579716	1	26	-1.0	-45.26	234.36	3.00	-42.26
O=C(NC1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL250004579717	0	23	-1.0	-41.57	242.27	4.04	-37.53
O=C(NC1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)N=C1	REAL250004579717	1	23	-1.0	-41.50	242.37	4.04	-37.46
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL250004579718	0	31	-1.0	-43.06	268.16	2.27	-40.79
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL250004579718	1	31	-1.0	-42.96	268.25	2.25	-40.71
O=C(NC1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250004579719	0	23	-1.0	-51.82	226.10	4.81	-47.01
O=C(NC1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL250004579719	1	23	-1.0	-51.73	226.20	4.80	-46.93
O=C(NC1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL250004579720	0	34	-1.0	-52.24	287.07	4.69	-47.55
O=C(NC1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL250004579720	1	34	-1.0	-52.31	286.98	4.70	-47.61
O=C(NC1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004579721	0	27	-1.0	-47.06	254.83	4.93	-42.13
O=C(NC1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004579721	1	27	-1.0	-47.02	254.93	4.91	-42.11
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004579722	0	22	-1.0	-45.14	234.07	3.82	-41.32
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004579722	1	22	-1.0	-45.04	234.17	3.81	-41.23
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=N[N-]N=N1	REAL250004579723	0	30	-1.0	-46.45	269.55	3.72	-42.73
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=NN=N[N-]1	REAL250004579723	1	30	-1.0	-46.51	269.45	3.74	-42.77
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250004579724	0	32	-1.0	-46.71	265.23	4.33	-42.38
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL250004579724	1	32	-1.0	-46.70	265.33	4.31	-42.39
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1OC(C)C	REAL250004579725	0	34	-1.0	-49.55	281.14	5.70	-43.85
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1OC(C)C	REAL250004579725	1	34	-1.0	-49.51	281.26	5.69	-43.82
COC(=O)C=CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004579726	0	27	-1.0	-43.79	262.24	4.00	-39.79
COC(=O)C=CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004579726	1	27	-1.0	-43.86	262.14	4.00	-39.86
CC(C)(C)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579727	0	36	-1.0	-44.51	298.13	7.31	-37.20
CC(C)(C)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579727	1	36	-1.0	-44.56	298.03	7.32	-37.24
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL250004579728	0	20	-1.0	-46.94	219.03	4.20	-42.74
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC(F)=C1Cl	REAL250004579728	1	20	-1.0	-46.86	219.13	4.18	-42.68
COC(=O)C1=C(C)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004579729	0	26	-1.0	-40.26	246.43	3.21	-37.05
COC(=O)C1=C(C)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004579729	1	26	-1.0	-40.21	246.53	3.20	-37.01
COC(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)N=C1	REAL250004579730	0	26	-1.0	-52.33	249.13	2.61	-49.72
COC(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)N=C1	REAL250004579730	1	26	-1.0	-52.37	249.04	2.62	-49.75
C[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004579731	0	36	-1.0	-51.13	298.00	2.54	-48.59
C[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004579731	1	36	-1.0	-51.25	297.91	2.55	-48.70
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=N[N-]N=N2)C1	REAL250004579732	0	38	-1.0	-46.07	314.16	3.21	-42.86
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=NN=N[N-]2)C1	REAL250004579732	1	38	-1.0	-46.12	314.07	3.22	-42.90
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL250004579733	0	27	-1.0	-53.35	251.05	4.29	-49.06
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL250004579733	1	27	-1.0	-53.32	251.15	4.27	-49.05
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004579734	0	38	-1.0	-48.94	307.51	4.75	-44.19
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004579734	1	38	-1.0	-48.98	307.41	4.76	-44.22
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)O1	REAL250004579735	0	30	-1.0	-54.55	273.00	5.10	-49.45
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)O1	REAL250004579735	1	30	-1.0	-54.44	273.09	5.09	-49.35
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004579736	0	39	-1.0	-48.97	285.40	7.92	-41.05
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004579736	1	39	-1.0	-49.03	285.29	7.92	-41.11
CC1=CC(CC(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL250004579737	0	37	-1.0	-49.25	316.46	8.39	-40.86
CC1=CC(CC(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL250004579737	1	37	-1.0	-49.34	316.37	8.40	-40.94
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004579738	0	33	-1.0	-45.18	278.48	7.02	-38.16
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004579738	1	33	-1.0	-45.25	278.38	7.04	-38.21
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250004579739	0	20	-1.0	-47.73	212.24	3.89	-43.84
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL250004579739	1	20	-1.0	-47.67	212.34	3.89	-43.78
CC1=NN(C2CCOCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579740	0	34	-1.0	-41.38	283.94	3.18	-38.20
CC1=NN(C2CCOCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579740	1	34	-1.0	-41.49	283.84	3.18	-38.31
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004579741	0	39	-1.0	-41.06	313.21	0.67	-40.39
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004579741	1	39	-1.0	-41.11	313.12	0.70	-40.41
CN1N=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004579742	0	20	-1.0	-42.83	227.31	2.29	-40.54
CN1N=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004579742	1	20	-1.0	-42.77	227.41	2.26	-40.51
O=C(NC1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL250004579743	0	36	-1.0	-47.45	295.73	7.70	-39.75
O=C(NC1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL250004579743	1	36	-1.0	-47.57	295.64	7.71	-39.86
O=C(NC1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004579744	0	33	-1.0	-43.78	290.67	6.18	-37.60
O=C(NC1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004579744	1	33	-1.0	-43.71	290.77	6.17	-37.54
O=C(NC1=N[N-]N=N1)C1(C2CCCC2)CCNC1=O	REAL250004579745	0	34	-1.0	-49.98	262.01	1.90	-48.08
O=C(NC1=NN=N[N-]1)C1(C2CCCC2)CCNC1=O	REAL250004579745	1	34	-1.0	-50.04	261.91	1.91	-48.13
CCOC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579746	0	31	-1.0	-46.53	273.37	5.21	-41.32
CCOC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004579746	1	31	-1.0	-46.64	273.27	5.21	-41.43
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004579747	0	23	-1.0	-44.86	234.75	5.04	-39.82
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004579747	1	23	-1.0	-44.96	234.65	5.05	-39.91
CC1(C)CC1(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004579748	0	33	-1.0	-44.77	273.99	6.85	-37.92
CC1(C)CC1(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004579748	1	33	-1.0	-44.71	274.09	6.84	-37.87
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=N[N-]N=N1	REAL250004579749	0	27	-1.0	-44.20	264.60	4.67	-39.53
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=NN=N[N-]1	REAL250004579749	1	27	-1.0	-44.28	264.51	4.69	-39.59
O=C(NC1=NN=N[N-]1)C1=CSC=C1C(F)(F)F	REAL250004579750	0	20	-1.0	-49.36	211.91	3.80	-45.56
O=C(NC1=N[N-]N=N1)C1=CSC=C1C(F)(F)F	REAL250004579750	1	20	-1.0	-49.31	212.01	3.79	-45.52
CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004579751	0	32	-1.0	-43.04	285.88	6.98	-36.06
CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004579751	1	32	-1.0	-43.16	285.78	7.00	-36.16
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004579752	0	37	-1.0	-46.10	309.92	3.56	-42.54
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004579752	1	37	-1.0	-46.17	309.83	3.57	-42.60
COC1=CC=CC(C(OC)C(=O)NC2=N[N-]N=N2)=C1	REAL250004579753	0	31	-1.0	-46.19	273.98	3.86	-42.33
COC1=CC=CC(C(OC)C(=O)NC2=NN=N[N-]2)=C1	REAL250004579753	1	31	-1.0	-46.20	273.89	3.88	-42.32
COCCOCCOCCCC(=O)NC1=N[N-]N=N1	REAL250004579754	0	37	-1.0	-50.71	318.26	1.89	-48.82
COCCOCCOCCCC(=O)NC1=NN=N[N-]1	REAL250004579754	1	37	-1.0	-50.74	318.17	1.90	-48.84
COC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1OC	REAL250004579755	0	34	-1.0	-47.72	291.85	5.32	-42.40
COC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1OC	REAL250004579755	1	34	-1.0	-47.63	291.95	5.30	-42.33
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=NN=N[N-]1	REAL250004579756	0	32	-1.0	-59.00	262.71	2.65	-56.35
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=N[N-]N=N1	REAL250004579756	1	32	-1.0	-58.89	262.80	2.65	-56.24
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004579757	0	29	-1.0	-49.87	265.95	6.88	-42.99
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004579757	1	29	-1.0	-49.81	266.05	6.87	-42.94
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004579758	0	30	-1.0	-45.03	263.96	5.77	-39.26
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004579758	1	30	-1.0	-45.07	263.86	5.79	-39.28
CC(=CC1=CC=C(Br)O1)C(=O)NC1=N[N-]N=N1	REAL250004579759	0	24	-1.0	-42.58	238.39	4.71	-37.87
CC(=CC1=CC=C(Br)O1)C(=O)NC1=NN=N[N-]1	REAL250004579759	1	24	-1.0	-42.64	238.29	4.72	-37.92
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C2CCCCN21	REAL250004579760	0	30	-1.0	-48.27	270.06	4.64	-43.63
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL250004579760	1	30	-1.0	-48.34	269.96	4.65	-43.69
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004579761	0	22	-1.0	-41.47	230.27	2.88	-38.59
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004579761	1	22	-1.0	-41.41	230.38	2.87	-38.54
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004579762	0	34	-1.0	-53.51	302.37	2.87	-50.64
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004579762	1	34	-1.0	-53.61	302.28	2.88	-50.73
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL250004579763	0	33	-1.0	-45.29	295.89	5.34	-39.95
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL250004579763	1	33	-1.0	-45.24	295.99	5.34	-39.90
CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)S2)=CS1	REAL250004579764	0	26	-1.0	-44.66	267.39	4.36	-40.30
CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)S2)=CS1	REAL250004579764	1	26	-1.0	-44.60	267.49	4.36	-40.24
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004579765	0	34	-1.0	-50.22	290.27	6.54	-43.68
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004579765	1	34	-1.0	-50.30	290.17	6.55	-43.75
O=C(NC1=NN=N[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004579767	0	32	-1.0	-46.70	277.61	5.83	-40.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004579767	1	32	-1.0	-46.64	277.71	5.82	-40.82
O=C(NC1=N[N-]N=N1)C1(C2CCCCO2)CCC1	REAL250004579768	0	34	-1.0	-43.02	269.35	4.34	-38.68
O=C(NC1=NN=N[N-]1)C1(C2CCCCO2)CCC1	REAL250004579768	1	34	-1.0	-43.05	269.26	4.36	-38.69
O=C(NC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL250004579769	0	32	-1.0	-44.87	282.32	6.81	-38.06
O=C(NC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL250004579769	1	32	-1.0	-44.90	282.23	6.82	-38.08
COC1=CC=C(F)C(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004579770	0	28	-1.0	-50.15	259.19	2.52	-47.63
COC1=CC=C(F)C(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004579770	1	28	-1.0	-50.13	259.28	2.51	-47.62
COC1=CC=NC(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004579771	0	27	-1.0	-52.63	247.41	-0.20	-52.83
COC1=CC=NC(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004579771	1	27	-1.0	-52.55	247.51	-0.22	-52.77
COC(=O)C1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579772	0	26	-1.0	-40.56	244.50	2.09	-38.47
COC(=O)C1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579772	1	26	-1.0	-40.50	244.60	2.07	-38.43
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=N[N-]N=N2)C[C@H]1C	REAL250004579773	0	30	-1.0	-50.58	264.59	3.92	-46.66
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=NN=N[N-]2)C[C@H]1C	REAL250004579773	1	30	-1.0	-50.66	264.50	3.94	-46.72
O=C(C=CC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004579774	0	21	-1.0	-42.82	229.28	4.71	-38.11
O=C(C=CC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004579774	1	21	-1.0	-42.95	229.18	4.71	-38.24
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=N[N-]N=N1	REAL250004579775	0	28	-1.0	-47.79	266.89	4.84	-42.95
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=NN=N[N-]1	REAL250004579775	1	28	-1.0	-47.90	266.79	4.84	-43.06
O=C(NC1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250004579776	0	31	-1.0	-46.84	265.43	2.45	-44.39
O=C(NC1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL250004579776	1	31	-1.0	-46.79	265.53	2.43	-44.36
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=N[N-]N=N1)OC2=O	REAL250004579777	0	33	-1.0	-44.09	265.35	4.35	-39.74
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=NN=N[N-]1)OC2=O	REAL250004579777	1	33	-1.0	-44.14	265.25	4.37	-39.77
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL250004579778	0	30	-1.0	-43.50	268.44	6.35	-37.15
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL250004579778	1	30	-1.0	-43.46	268.53	6.33	-37.13
O=C(NC1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250004579779	0	28	-1.0	-52.96	247.56	2.17	-50.79
O=C(NC1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL250004579779	1	28	-1.0	-52.82	247.65	2.14	-50.68
CC1=CN(CC(=O)NC2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004579780	0	26	-1.0	-53.94	253.97	3.52	-50.42
CC1=CN(CC(=O)NC2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004579780	1	26	-1.0	-54.03	253.88	3.53	-50.50
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=NN=N[N-]1	REAL250004579781	0	34	-1.0	-46.75	296.11	8.41	-38.34
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=N[N-]N=N1	REAL250004579781	1	34	-1.0	-46.66	296.21	8.40	-38.26
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004579782	0	30	-1.0	-56.18	260.04	3.12	-53.06
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004579782	1	30	-1.0	-56.12	260.14	3.11	-53.01
O=C(CC1=CC=CC2=CN=CC=C21)NC1=NN=N[N-]1	REAL250004579783	0	28	-1.0	-48.16	249.85	4.84	-43.32
O=C(CC1=CC=CC2=CN=CC=C21)NC1=N[N-]N=N1	REAL250004579783	1	28	-1.0	-48.12	249.95	4.82	-43.30
CC1=NOC(C2(C(=O)NC3=N[N-]N=N3)CCOCC2)=C1	REAL250004579784	0	33	-1.0	-42.62	269.68	3.15	-39.47
CC1=NOC(C2(C(=O)NC3=NN=N[N-]3)CCOCC2)=C1	REAL250004579784	1	33	-1.0	-42.72	269.59	3.18	-39.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL250004579785	0	24	-1.0	-49.57	238.01	4.86	-44.71
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1OC(F)(F)F	REAL250004579785	1	24	-1.0	-49.47	238.11	4.85	-44.62
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004579786	0	32	-1.0	-47.91	275.18	5.93	-41.98
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004579786	1	32	-1.0	-47.83	275.28	5.91	-41.92
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004579787	0	38	-1.0	-46.37	309.11	2.76	-43.61
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004579787	1	38	-1.0	-46.46	309.02	2.78	-43.68
CC(C)(C)OC1=CC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004579788	0	32	-1.0	-43.69	270.83	4.17	-39.52
CC(C)(C)OC1=CC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004579788	1	32	-1.0	-43.62	270.92	4.18	-39.44
COC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004579789	0	30	-1.0	-41.90	275.61	4.10	-37.80
COC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004579789	1	30	-1.0	-41.85	275.71	4.09	-37.76
O=C(CC1=CC2=CC=NC=C2C=C1)NC1=NN=N[N-]1	REAL250004579790	0	28	-1.0	-47.34	253.06	4.97	-42.37
O=C(CC1=CC2=CC=NC=C2C=C1)NC1=N[N-]N=N1	REAL250004579790	1	28	-1.0	-47.27	253.15	4.95	-42.32
N#CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL250004579791	0	34	-1.0	-48.01	287.78	7.30	-40.71
N#CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL250004579791	1	34	-1.0	-48.10	287.69	7.32	-40.78
N#CC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004579792	0	28	-1.0	-50.03	267.48	5.21	-44.82
N#CC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004579792	1	28	-1.0	-50.08	267.38	5.22	-44.86
COC1=CC(COCC(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004579793	0	30	-1.0	-51.23	273.71	1.53	-49.70
COC1=CC(COCC(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004579793	1	30	-1.0	-51.33	273.62	1.54	-49.79
COC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=N1	REAL250004579794	0	30	-1.0	-50.99	273.58	1.52	-49.47
COC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=N1	REAL250004579794	1	30	-1.0	-50.94	273.67	1.51	-49.43
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O=C(NC1=N[N-]N=N1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004579796	0	27	-1.0	-44.87	239.84	4.57	-40.30
O=C(NC1=NN=N[N-]1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004579796	1	27	-1.0	-44.94	239.74	4.59	-40.35
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CSC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)S1	REAL250004579798	0	25	-1.0	-44.44	254.85	5.29	-39.15
CSC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)S1	REAL250004579798	1	25	-1.0	-44.54	254.74	5.29	-39.25
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL250004579799	0	30	-1.0	-42.46	258.56	1.87	-40.59
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2CCCC2)=N1	REAL250004579799	1	30	-1.0	-42.35	258.66	1.88	-40.47
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O=C(COC1=CC=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004579800	1	23	-1.0	-44.14	239.89	2.34	-41.80
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O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004579801	1	29	-1.0	-45.76	271.50	7.10	-38.66
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1N1CCOCC1	REAL250004579802	0	36	-1.0	-47.68	295.11	4.03	-43.65
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1N1CCOCC1	REAL250004579802	1	36	-1.0	-47.63	295.21	4.01	-43.62
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004579803	0	20	-1.0	-43.25	224.86	4.88	-38.37
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004579803	1	20	-1.0	-43.17	224.96	4.87	-38.30
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=C1	REAL250004579804	0	27	-1.0	-44.83	255.94	4.53	-40.30
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=C1	REAL250004579804	1	27	-1.0	-44.79	256.04	4.51	-40.28
COC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1C	REAL250004579805	0	33	-1.0	-49.17	289.45	4.87	-44.30
COC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1C	REAL250004579805	1	33	-1.0	-49.27	289.36	4.89	-44.38
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004579806	0	34	-1.0	-43.03	292.60	7.35	-35.68
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004579806	1	34	-1.0	-42.96	292.69	7.36	-35.60
CC1(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C2NC1=O	REAL250004579807	0	29	-1.0	-50.26	257.19	3.13	-47.13
CC1(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C2NC1=O	REAL250004579807	1	29	-1.0	-50.26	257.10	3.13	-47.13
CC1=C(C(=O)NC2=NN=N[N-]2)C=NC2=C(Cl)C=CC=C12	REAL250004579808	0	28	-1.0	-44.41	257.25	5.36	-39.05
CC1=C(C(=O)NC2=N[N-]N=N2)C=NC2=C(Cl)C=CC=C12	REAL250004579808	1	28	-1.0	-44.33	257.35	5.35	-38.98
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL250004579809	0	33	-1.0	-48.05	286.29	5.61	-42.44
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL250004579809	1	33	-1.0	-48.02	286.39	5.59	-42.43
CC(C)(C)C1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004579810	0	31	-1.0	-39.54	278.72	5.05	-34.49
CC(C)(C)C1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004579810	1	31	-1.0	-39.50	278.82	5.04	-34.46
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004579811	0	30	-1.0	-45.70	270.10	7.17	-38.53
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004579811	1	30	-1.0	-45.59	270.20	7.16	-38.43
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CN=C1F	REAL250004579812	0	19	-1.0	-43.52	208.29	2.60	-40.92
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CN=C1F	REAL250004579812	1	19	-1.0	-43.51	208.39	2.59	-40.92
O=C(NC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL250004579813	0	22	-1.0	-36.08	241.73	4.67	-31.41
O=C(NC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL250004579813	1	22	-1.0	-36.14	241.64	4.67	-31.47
CC1(C)CCC(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)C1	REAL250004579814	0	42	-1.0	-44.69	320.52	8.27	-36.42
CC1(C)CCC(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)C1	REAL250004579814	1	42	-1.0	-44.75	320.42	8.29	-36.46
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004579815	0	28	-1.0	-45.20	261.01	5.45	-39.75
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004579815	1	28	-1.0	-45.14	261.10	5.44	-39.70
CN1C(=O)COC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004579816	0	29	-1.0	-46.29	255.43	2.82	-43.47
CN1C(=O)COC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004579816	1	29	-1.0	-46.27	255.53	2.81	-43.46
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1F	REAL250004579817	0	23	-1.0	-56.73	224.95	4.77	-51.96
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1F	REAL250004579817	1	23	-1.0	-56.68	225.05	4.76	-51.92
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCOC2)N=N1	REAL250004579818	0	30	-1.0	-47.26	266.35	1.09	-46.17
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCOC2)N=N1	REAL250004579818	1	30	-1.0	-47.15	266.45	1.08	-46.07
O=C(CCC1=NN=C(C(F)F)O1)NC1=N[N-]N=N1	REAL250004579819	0	24	-1.0	-46.12	238.72	-1.52	-47.64
O=C(CCC1=NN=C(C(F)F)O1)NC1=NN=N[N-]1	REAL250004579819	1	24	-1.0	-46.19	238.63	-1.51	-47.70
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004579820	0	37	-1.0	-46.35	301.94	7.83	-38.52
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004579820	1	37	-1.0	-46.43	301.85	7.84	-38.59
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=C(F)C=C1	REAL250004579821	0	30	-1.0	-50.57	255.10	6.18	-44.39
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL250004579821	1	30	-1.0	-50.63	255.02	6.19	-44.44
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004579822	0	38	-1.0	-44.24	286.28	7.28	-36.96
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004579822	1	38	-1.0	-44.33	286.20	7.31	-37.02
C[C@@H]1C[C@]1(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004579823	0	35	-1.0	-42.54	283.34	5.73	-36.81
C[C@@H]1C[C@]1(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004579823	1	35	-1.0	-42.61	283.25	5.75	-36.86
CCC1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004579824	0	32	-1.0	-48.63	278.79	6.33	-42.30
CCC1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004579824	1	32	-1.0	-48.72	278.69	6.34	-42.38
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004579825	0	34	-1.0	-47.02	283.89	3.14	-43.88
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004579825	1	34	-1.0	-46.95	283.99	3.12	-43.83
O=C(NC1=NN=N[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004579826	0	32	-1.0	-45.56	279.39	6.01	-39.55
O=C(NC1=N[N-]N=N1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004579826	1	32	-1.0	-45.47	279.49	6.00	-39.47
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004579827	0	26	-1.0	-45.11	241.76	5.32	-39.79
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004579827	1	26	-1.0	-45.01	241.86	5.30	-39.71
CCOC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1	REAL250004579828	0	33	-1.0	-45.11	284.90	5.50	-39.61
CCOC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1	REAL250004579828	1	33	-1.0	-45.19	284.81	5.52	-39.67
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=N[N-]N=N1	REAL250004579829	0	39	-1.0	-52.06	312.34	5.29	-46.77
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=NN=N[N-]1	REAL250004579829	1	39	-1.0	-52.09	312.25	5.30	-46.79
CC1=CN2C=C(CC(=O)NC3=NN=N[N-]3)N=C2S1	REAL250004579830	0	26	-1.0	-57.41	250.53	5.12	-52.29
COC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004579831	0	24	-1.0	-45.83	242.59	3.44	-42.39
COC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004579831	1	24	-1.0	-45.76	242.69	3.43	-42.33
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NC1=N[N-]N=N1	REAL250004579832	0	33	-1.0	-52.60	281.03	5.81	-46.79
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NC1=NN=N[N-]1	REAL250004579832	1	33	-1.0	-52.69	280.94	5.82	-46.87
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004579833	0	26	-1.0	-50.84	252.69	4.91	-45.93
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004579833	1	26	-1.0	-50.73	252.80	4.90	-45.83
CC1(C(=O)NC2=N[N-]N=N2)COC2=CC=CC=C2O1	REAL250004579834	0	29	-1.0	-46.21	253.13	3.69	-42.52
CC1(C(=O)NC2=NN=N[N-]2)COC2=CC=CC=C2O1	REAL250004579834	1	29	-1.0	-46.28	253.04	3.70	-42.58
COC(=O)C=CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004579835	0	30	-1.0	-46.93	274.42	5.71	-41.22
COC(=O)C=CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004579835	1	30	-1.0	-47.00	274.32	5.72	-41.28
CC(C)CC1(C(=O)NC2=N[N-]N=N2)CCNC1=O	REAL250004579836	0	33	-1.0	-51.83	258.16	1.48	-50.35
CC(C)CC1(C(=O)NC2=NN=N[N-]2)CCNC1=O	REAL250004579836	1	33	-1.0	-51.93	258.07	1.50	-50.43
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004579837	0	34	-1.0	-50.62	298.25	3.17	-47.45
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004579837	1	34	-1.0	-50.56	298.35	3.15	-47.41
CC1=CC(C)=C(C=CC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004579838	0	33	-1.0	-45.10	277.82	6.72	-38.38
CC1=CC(C)=C(C=CC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004579838	1	33	-1.0	-45.01	277.92	6.71	-38.30
O=C(C=CC1=CSC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004579839	0	24	-1.0	-44.69	252.66	5.14	-39.55
O=C(C=CC1=CSC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004579839	1	24	-1.0	-44.77	252.56	5.14	-39.63
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004579840	0	29	-1.0	-46.23	238.91	4.65	-41.58
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004579840	1	29	-1.0	-46.33	238.83	4.66	-41.67
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004579841	0	27	-1.0	-45.88	256.82	6.20	-39.68
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004579841	1	27	-1.0	-45.95	256.72	6.21	-39.74
CC(C(=O)NC1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004579842	0	26	-1.0	-47.02	252.24	3.35	-43.67
CC(C(=O)NC1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004579842	1	26	-1.0	-47.07	252.15	3.37	-43.70
CC1=CC=CC(COC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004579843	0	33	-1.0	-48.60	287.78	6.18	-42.42
CC1=CC=CC(COC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004579843	1	33	-1.0	-48.64	287.69	6.20	-42.44
O=C(C=CC1=CC=CC=C1C(F)(F)F)NC1=N[N-]N=N1	REAL250004579844	0	27	-1.0	-49.36	255.57	5.81	-43.55
O=C(C=CC1=CC=CC=C1C(F)(F)F)NC1=NN=N[N-]1	REAL250004579844	1	27	-1.0	-49.42	255.47	5.82	-43.60
O=C(C=CC1=CC=C2NC=CC2=C1)NC1=NN=N[N-]1	REAL250004579845	0	28	-1.0	-48.52	253.26	5.02	-43.50
O=C(C=CC1=CC=C2NC=CC2=C1)NC1=N[N-]N=N1	REAL250004579845	1	28	-1.0	-48.44	253.36	5.02	-43.42
COC(=O)C1=COC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004579846	0	27	-1.0	-48.19	261.43	3.89	-44.30
COC(=O)C1=COC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004579846	1	27	-1.0	-48.26	261.32	3.89	-44.37
CC1(C)[C@H](C(=O)NC2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL250004579847	0	33	-1.0	-44.46	275.96	6.72	-37.74
CC1(C)[C@H](C(=O)NC2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL250004579847	1	33	-1.0	-44.57	275.87	6.73	-37.84
O=C(CCC1=CC=C(F)C2=C1CCCC2)NC1=N[N-]N=N1	REAL250004579848	0	36	-1.0	-42.63	295.09	7.56	-35.07
O=C(CCC1=CC=C(F)C2=C1CCCC2)NC1=NN=N[N-]1	REAL250004579848	1	36	-1.0	-42.71	295.00	7.57	-35.14
O=C(CC1=COC2=CC(Cl)=CC=C12)NC1=N[N-]N=N1	REAL250004579849	0	26	-1.0	-46.53	256.69	5.34	-41.19
O=C(CC1=COC2=CC(Cl)=CC=C12)NC1=NN=N[N-]1	REAL250004579849	1	26	-1.0	-46.66	256.60	5.36	-41.30
O=C(NC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004579850	0	25	-1.0	-46.28	220.23	2.30	-43.98
O=C(NC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004579850	1	25	-1.0	-46.28	220.14	2.31	-43.97
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004579851	0	32	-1.0	-43.50	281.58	7.42	-36.08
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004579851	1	32	-1.0	-43.60	281.49	7.44	-36.16
CCOC(=O)C1(CC(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004579852	0	36	-1.0	-51.30	288.99	3.97	-47.33
CCOC(=O)C1(CC(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004579852	1	36	-1.0	-51.34	288.90	3.98	-47.36
O=C(NC1=N[N-]N=N1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004579853	0	28	-1.0	-46.95	255.45	6.76	-40.19
O=C(NC1=NN=N[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004579853	1	28	-1.0	-47.02	255.36	6.77	-40.25
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL250004579854	0	34	-1.0	-45.11	279.94	5.18	-39.93
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCOCC2)C=C1	REAL250004579854	1	34	-1.0	-45.10	280.03	5.17	-39.93
CN1CC(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004579855	0	29	-1.0	-44.92	256.38	0.30	-44.62
CN1CC(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004579855	1	29	-1.0	-44.84	256.48	0.30	-44.54
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=N[N-]N=N1	REAL250004579856	0	24	-1.0	-47.73	247.72	4.96	-42.77
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=NN=N[N-]1	REAL250004579856	1	24	-1.0	-47.80	247.62	4.97	-42.83
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=N[N-]N=N1	REAL250004579857	0	29	-1.0	-44.11	265.73	6.15	-37.96
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=NN=N[N-]1	REAL250004579857	1	29	-1.0	-44.21	265.64	6.17	-38.04
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004579858	0	30	-1.0	-41.62	268.18	2.26	-39.36
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004579858	1	30	-1.0	-41.71	268.08	2.27	-39.44
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)N=C(Cl)S1	REAL250004579859	0	19	-1.0	-40.60	225.94	2.58	-38.02
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)N=C(Cl)S1	REAL250004579859	1	19	-1.0	-40.49	225.78	2.54	-37.95
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004579860	0	30	-1.0	-62.26	268.04	2.12	-60.14
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004579860	1	30	-1.0	-62.29	267.94	2.13	-60.16
COC1=CC=CC(C(C)(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004579861	0	33	-1.0	-48.63	272.67	4.68	-43.95
COC1=CC=CC(C(C)(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004579861	1	33	-1.0	-48.72	272.58	4.70	-44.02
CCOC1COCCC1CC(=O)NC1=N[N-]N=N1	REAL250004579862	0	34	-1.0	-43.99	275.44	2.74	-41.25
CCOC1COCCC1CC(=O)NC1=NN=N[N-]1	REAL250004579862	1	34	-1.0	-44.00	275.35	2.75	-41.25
O=C(C=CC1=CC=C(Cl)N=C1)NC1=N[N-]N=N1	REAL250004579863	0	23	-1.0	-44.72	233.78	3.65	-41.07
O=C(C=CC1=CC=C(Cl)N=C1)NC1=NN=N[N-]1	REAL250004579863	1	23	-1.0	-44.80	233.68	3.65	-41.15
COC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)O1	REAL250004579864	0	27	-1.0	-44.56	262.94	4.05	-40.51
COC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)O1	REAL250004579864	1	27	-1.0	-44.67	262.84	4.05	-40.62
CN1C=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=N1	REAL250004579865	0	30	-1.0	-49.99	267.38	5.10	-44.89
CN1C=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=N1	REAL250004579865	1	30	-1.0	-49.93	267.48	5.09	-44.84
CC1=NN(CC(=O)NC2=N[N-]N=N2)C(C(F)F)=C1	REAL250004579866	0	26	-1.0	-45.61	245.04	3.11	-42.50
CC1=NN(CC(=O)NC2=NN=N[N-]2)C(C(F)F)=C1	REAL250004579866	1	26	-1.0	-45.70	244.94	3.12	-42.58
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=N[N-]N=N1	REAL250004579867	0	26	-1.0	-53.43	244.69	5.15	-48.28
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=NN=N[N-]1	REAL250004579867	1	26	-1.0	-53.51	244.59	5.16	-48.35
O=C(NC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL250004579868	0	33	-1.0	-60.38	280.37	5.18	-55.20
O=C(NC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL250004579868	1	33	-1.0	-60.30	280.46	5.19	-55.11
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004579869	0	32	-1.0	-50.99	272.21	4.91	-46.08
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004579869	1	32	-1.0	-51.06	272.11	4.93	-46.13
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1C	REAL250004579870	0	29	-1.0	-45.80	258.16	5.01	-40.79
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1C	REAL250004579870	1	29	-1.0	-45.75	258.26	4.99	-40.76
CC(C)(C)N1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004579871	0	32	-1.0	-59.39	260.99	4.71	-54.68
CC(C)(C)N1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004579871	1	32	-1.0	-59.27	261.09	4.71	-54.56
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004579872	0	28	-1.0	-42.99	259.41	5.28	-37.71
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004579872	1	28	-1.0	-42.94	259.50	5.27	-37.67
CC1=CSC2=NC(CC(=O)NC3=NN=N[N-]3)=CN12	REAL250004579873	0	26	-1.0	-57.37	249.92	4.86	-52.51
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004579874	0	30	-1.0	-48.79	263.75	6.54	-42.25
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004579874	1	30	-1.0	-48.87	263.65	6.55	-42.32
O=C(CN1CCCCC(=O)C1=O)NC1=N[N-]N=N1	REAL250004579875	0	29	-1.0	-57.71	253.94	2.66	-55.05
O=C(CN1CCCCC(=O)C1=O)NC1=NN=N[N-]1	REAL250004579875	1	29	-1.0	-57.78	253.85	2.67	-55.11
O=C(NC1=N[N-]N=N1)C1CC2CCCCC(C1)C2=O	REAL250004579876	0	35	-1.0	-44.76	267.13	5.13	-39.63
O=C(NC1=NN=N[N-]1)C1CC2CCCCC(C1)C2=O	REAL250004579876	1	35	-1.0	-44.84	267.03	5.15	-39.69
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=N[N-]N=N2)O1	REAL250004579877	0	31	-1.0	-55.79	268.34	0.47	-55.32
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=NN=N[N-]2)O1	REAL250004579877	1	31	-1.0	-55.80	268.24	0.49	-55.31
CCC1=CC2=C(SC=C2CC(=O)NC2=NN=N[N-]2)S1	REAL250004579878	0	29	-1.0	-45.79	283.03	6.50	-39.29
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL250004579879	0	21	-1.0	-39.01	219.63	2.91	-36.10
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=N1	REAL250004579879	1	21	-1.0	-38.94	219.73	2.90	-36.04
O=C(CCCOC1CCOCC1)NC1=N[N-]N=N1	REAL250004579880	0	34	-1.0	-47.92	282.26	2.58	-45.34
O=C(CCCOC1CCOCC1)NC1=NN=N[N-]1	REAL250004579880	1	34	-1.0	-48.04	282.16	2.59	-45.45
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=NN=N[N-]1	REAL250004579881	0	34	-1.0	-58.68	285.92	2.72	-55.96
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=N[N-]N=N1	REAL250004579881	1	34	-1.0	-58.61	286.02	2.70	-55.91
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=N[N-]N=N1	REAL250004579882	0	38	-1.0	-47.75	326.87	2.97	-44.78
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=NN=N[N-]1	REAL250004579882	1	38	-1.0	-47.80	326.77	2.98	-44.82
CC1=CC2=C(SC=C2CC(=O)NC2=NN=N[N-]2)S1	REAL250004579883	0	26	-1.0	-46.06	261.54	5.73	-40.33
COC(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004579884	0	32	-1.0	-45.97	273.13	4.13	-41.84
COC(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004579884	1	32	-1.0	-46.01	273.04	4.13	-41.88
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004579885	0	32	-1.0	-44.72	276.04	7.40	-37.32
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004579885	1	32	-1.0	-44.78	275.94	7.42	-37.36
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CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004579955	0	35	-1.0	-47.05	288.60	5.44	-41.61
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004579955	1	35	-1.0	-47.07	288.51	5.45	-41.62
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CCOC(=O)N(C)CCCC(=O)NC1=NN=N[N-]1	REAL250004579974	1	33	-1.0	-51.61	286.94	3.55	-48.06
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CN1N=C(C2=CC=CN=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579986	1	29	-1.0	-42.27	262.40	3.33	-38.94
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CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004579987	1	29	-1.0	-41.78	262.53	3.35	-38.43
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COC1=CC2=CC=C(C=CC(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004579989	0	34	-1.0	-46.95	297.60	6.55	-40.40
COC1=CC2=CC=C(C=CC(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004579989	1	34	-1.0	-47.03	297.50	6.54	-40.49
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C[C@H](NC(=O)CCC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004579996	0	36	-1.0	-44.16	310.66	4.50	-39.66
C[C@H](NC(=O)CCC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004579996	1	36	-1.0	-44.24	310.57	4.51	-39.73
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CCSC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004579999	1	30	-1.0	-46.46	270.99	6.25	-40.21
COC1(C(=O)NC2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004580000	0	27	-1.0	-49.55	239.30	-1.50	-51.05
COC1(C(=O)NC2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004580000	1	27	-1.0	-49.63	239.20	-1.49	-51.12
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580001	0	38	-1.0	-52.97	302.77	2.79	-50.18
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580001	1	38	-1.0	-53.06	302.67	2.80	-50.26
CC12CC3CC(C1)CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL250004580002	0	37	-1.0	-44.65	272.50	6.22	-38.43
CC12CC3CC(C1)CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004580002	1	37	-1.0	-44.68	272.40	6.22	-38.46
O=C(NC1=N[N-]N=N1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL250004580003	0	33	-1.0	-51.83	282.64	4.66	-47.17
O=C(NC1=NN=N[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL250004580003	1	33	-1.0	-51.92	282.54	4.68	-47.24
COC1=CC=CC(C(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL250004580004	0	27	-1.0	-52.12	248.09	4.00	-48.12
COC1=CC=CC(C(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL250004580004	1	27	-1.0	-52.04	248.19	4.00	-48.04
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004580005	0	33	-1.0	-49.70	287.65	5.98	-43.72
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004580005	1	33	-1.0	-49.61	287.74	5.97	-43.64
COC(=O)C1=CC(C)=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004580006	0	26	-1.0	-40.54	246.43	3.31	-37.23
COC(=O)C1=CC(C)=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004580006	1	26	-1.0	-40.44	246.52	3.29	-37.15
CC1=CC=C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)C=C1	REAL250004580007	0	31	-1.0	-49.71	277.00	5.76	-43.95
CC1=CC=C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)C=C1	REAL250004580007	1	31	-1.0	-49.79	276.91	5.77	-44.02
CC1=CC=C(C)C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)=C1	REAL250004580008	0	34	-1.0	-49.11	292.39	6.61	-42.50
CC1=CC=C(C)C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)=C1	REAL250004580008	1	34	-1.0	-49.17	292.30	6.63	-42.54
O=C(NC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)F)=C1	REAL250004580009	0	23	-1.0	-49.55	232.84	1.01	-48.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)F)=C1	REAL250004580009	1	23	-1.0	-49.59	232.75	1.03	-48.56
O=C(CCCC1=CC=C(C2CC2)C=C1)NC1=N[N-]N=N1	REAL250004580010	0	36	-1.0	-46.30	304.26	8.16	-38.14
O=C(CCCC1=CC=C(C2CC2)C=C1)NC1=NN=N[N-]1	REAL250004580010	1	36	-1.0	-46.37	304.17	8.18	-38.19
COC1=CC(OC)=NC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580011	0	26	-1.0	-41.93	244.88	-1.68	-43.61
COC1=CC(OC)=NC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580011	1	26	-1.0	-41.87	244.97	-1.70	-43.57
O=C(NC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004580012	0	29	-1.0	-43.76	269.54	5.69	-38.07
O=C(NC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004580012	1	29	-1.0	-43.83	269.44	5.69	-38.14
COC1=CC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004580013	0	29	-1.0	-45.34	258.14	3.49	-41.85
COC1=CC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004580013	1	29	-1.0	-45.32	258.24	3.49	-41.83
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=N2)=NO1	REAL250004580014	0	27	-1.0	-49.94	251.69	3.36	-46.58
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC=N2)=NO1	REAL250004580014	1	27	-1.0	-49.89	251.78	3.34	-46.55
CS(C)(=O)=NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580015	0	30	-1.0	-63.60	268.36	2.20	-61.40
CS(C)(=O)=NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580015	1	30	-1.0	-63.66	268.26	2.21	-61.45
CS(C)(=O)=NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580016	0	30	-1.0	-61.51	266.55	2.40	-59.11
CS(C)(=O)=NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580016	1	30	-1.0	-61.38	266.65	2.40	-58.98
CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004580017	0	26	-1.0	-42.03	246.36	5.67	-36.36
CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004580017	1	26	-1.0	-42.00	246.46	5.66	-36.34
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL250004580018	0	29	-1.0	-46.40	273.84	5.56	-40.84
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC(F)=C2)=NO1	REAL250004580018	1	29	-1.0	-46.32	273.92	5.53	-40.79
COC1=CC=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=C1	REAL250004580020	0	27	-1.0	-41.73	251.25	3.86	-37.87
COC1=CC=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=C1	REAL250004580020	1	27	-1.0	-41.80	251.16	3.88	-37.92
O=C(NC1=NN=N[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL250004580021	0	26	-1.0	-61.52	248.25	4.16	-57.36
O=C(NC1=N[N-]N=N1)C1=CC=CN(CC(F)(F)F)C1=O	REAL250004580021	1	26	-1.0	-61.41	248.35	4.16	-57.25
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004580022	0	30	-1.0	-45.22	266.94	5.90	-39.32
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004580022	1	30	-1.0	-45.32	266.85	5.92	-39.40
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL250004580023	0	22	-1.0	-41.54	229.94	3.48	-38.06
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL250004580023	1	22	-1.0	-41.49	230.03	3.48	-38.01
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=N[N-]N=N1	REAL250004580024	0	28	-1.0	-44.49	274.39	6.32	-38.17
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=NN=N[N-]1	REAL250004580024	1	28	-1.0	-44.54	274.29	6.33	-38.21
CC1=CC=CN=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580025	0	33	-1.0	-46.76	294.12	4.89	-41.87
CC1=CC=CN=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580025	1	33	-1.0	-46.67	294.22	4.88	-41.79
O=C(NC1=N[N-]N=N1)C1CCOC2(CCCC2)C1	REAL250004580026	0	34	-1.0	-43.85	263.09	4.03	-39.82
O=C(NC1=NN=N[N-]1)C1CCOC2(CCCC2)C1	REAL250004580026	1	34	-1.0	-43.93	263.00	4.04	-39.89
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004580027	0	32	-1.0	-59.60	281.89	2.92	-56.68
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004580027	1	32	-1.0	-59.70	281.80	2.93	-56.77
CC1=CC=CC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004580028	0	33	-1.0	-47.78	282.98	7.90	-39.88
CC1=CC=CC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004580028	1	33	-1.0	-47.71	283.08	7.88	-39.83
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004580029	0	29	-1.0	-48.02	256.70	5.63	-42.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004580029	1	29	-1.0	-47.97	256.79	5.62	-42.35
CC1=CC=CC=C1C1=NOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004580030	0	31	-1.0	-49.48	270.97	5.95	-43.53
CC1=CC=CC=C1C1=NOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004580030	1	31	-1.0	-49.54	270.88	5.96	-43.58
CNC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580031	0	29	-1.0	-59.99	258.36	1.38	-58.61
CNC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580031	1	29	-1.0	-59.89	258.46	1.35	-58.54
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL250004580032	0	33	-1.0	-48.12	275.19	4.72	-43.40
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL250004580032	1	33	-1.0	-48.25	275.10	4.74	-43.51
CCOC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004580033	0	29	-1.0	-49.76	265.66	3.38	-46.38
CCOC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004580033	1	29	-1.0	-49.81	265.56	3.39	-46.42
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL250004580034	0	38	-1.0	-44.89	291.44	5.44	-39.45
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCCCC2)C=C1	REAL250004580034	1	38	-1.0	-44.87	291.54	5.43	-39.44
CC(SC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004580035	0	27	-1.0	-43.47	255.72	5.46	-38.01
CC(SC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004580035	1	27	-1.0	-43.57	255.62	5.48	-38.09
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004580036	0	33	-1.0	-44.59	285.75	7.50	-37.09
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004580036	1	33	-1.0	-44.65	285.66	7.51	-37.14
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250004580037	0	26	-1.0	-50.58	249.77	2.43	-48.15
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)O1	REAL250004580037	1	26	-1.0	-50.57	249.87	2.41	-48.16
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004580038	0	26	-1.0	-48.49	245.49	4.31	-44.18
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004580038	1	26	-1.0	-48.42	245.59	4.30	-44.12
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004580039	0	26	-1.0	-44.95	247.61	5.56	-39.39
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004580039	1	26	-1.0	-45.01	247.52	5.59	-39.42
O=C(NC1=NN=N[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL250004580040	0	22	-1.0	-40.67	236.04	3.56	-37.11
O=C(NC1=N[N-]N=N1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL250004580040	1	22	-1.0	-40.63	236.14	3.56	-37.07
O=C(NC1=NN=N[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004580041	0	25	-1.0	-42.43	240.29	4.69	-37.74
O=C(NC1=N[N-]N=N1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004580041	1	25	-1.0	-42.38	240.39	4.69	-37.69
O=C(NC1=NN=N[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004580042	0	29	-1.0	-53.33	255.70	1.04	-52.29
O=C(NC1=N[N-]N=N1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004580042	1	29	-1.0	-53.27	255.80	1.03	-52.24
COC1=CC=CC(CC(C)CC(=O)NC2=N[N-]N=N2)=C1	REAL250004580043	0	36	-1.0	-47.49	297.20	5.76	-41.73
COC1=CC=CC(CC(C)CC(=O)NC2=NN=N[N-]2)=C1	REAL250004580043	1	36	-1.0	-47.55	297.11	5.77	-41.78
O=C(CC1CCCC(C(F)(F)F)O1)NC1=N[N-]N=N1	REAL250004580044	0	30	-1.0	-49.88	258.48	4.23	-45.65
O=C(CC1CCCC(C(F)(F)F)O1)NC1=NN=N[N-]1	REAL250004580044	1	30	-1.0	-49.95	258.39	4.24	-45.71
O=C(NC1=N[N-]N=N1)C1CS(=O)(=O)CC(=O)N1	REAL250004580045	0	24	-1.0	-49.96	230.71	-3.55	-53.51
O=C(NC1=NN=N[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250004580045	1	24	-1.0	-50.00	230.62	-3.54	-53.54
O=C(NC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL250004580046	0	18	-1.0	-43.57	201.60	1.88	-41.69
O=C(NC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL250004580046	1	18	-1.0	-43.56	201.70	1.87	-41.69
COC(=O)C1=CC=CN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004580047	0	29	-1.0	-58.59	269.25	4.60	-53.99
COC(=O)C1=CC=CN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004580047	1	29	-1.0	-58.61	269.15	4.61	-54.00
O=C(NC1=N[N-]N=N1)C1(CCC2=CC=CC=C2)CC1	REAL250004580048	0	33	-1.0	-46.48	286.38	7.24	-39.24
O=C(NC1=NN=N[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250004580048	1	33	-1.0	-46.61	286.29	7.25	-39.36
CC1(C(=O)NC2=NN=N[N-]2)CCOC2=CC=CC=C21	REAL250004580049	0	31	-1.0	-43.85	250.96	4.71	-39.14
CC1(C(=O)NC2=N[N-]N=N2)CCOC2=CC=CC=C21	REAL250004580049	1	31	-1.0	-43.81	251.05	4.69	-39.12
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250004580050	0	31	-1.0	-44.42	261.55	4.69	-39.73
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCO1	REAL250004580050	1	31	-1.0	-44.37	261.65	4.67	-39.70
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580051	0	31	-1.0	-53.87	281.13	3.02	-50.85
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580051	1	31	-1.0	-53.92	281.04	3.05	-50.87
CN1C=C(N2CC(C(=O)NC3=NN=N[N-]3)CCC2=O)C=N1	REAL250004580052	0	34	-1.0	-47.15	284.99	3.12	-44.03
CN1C=C(N2CC(C(=O)NC3=N[N-]N=N3)CCC2=O)C=N1	REAL250004580052	1	34	-1.0	-47.04	285.08	3.10	-43.94
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004580053	0	28	-1.0	-46.69	267.11	2.55	-44.14
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004580053	1	28	-1.0	-46.77	267.01	2.56	-44.21
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004580054	0	27	-1.0	-46.93	257.42	3.31	-43.62
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004580054	1	27	-1.0	-46.81	257.52	3.31	-43.50
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004580055	0	31	-1.0	-48.28	265.91	3.46	-44.82
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004580055	1	31	-1.0	-48.36	265.81	3.47	-44.89
COC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004580056	0	28	-1.0	-50.24	259.49	2.12	-48.12
COC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004580056	1	28	-1.0	-50.31	259.39	2.14	-48.17
COC(=O)C1CCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004580057	0	33	-1.0	-50.85	285.03	4.06	-46.79
COC(=O)C1CCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004580057	1	33	-1.0	-50.90	284.93	4.07	-46.83
CC1=C(Br)OC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580058	0	20	-1.0	-40.00	214.13	3.19	-36.81
CC1=C(Br)OC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580058	1	20	-1.0	-39.93	214.23	3.17	-36.76
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004580059	0	31	-1.0	-46.54	270.33	2.71	-43.83
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004580059	1	31	-1.0	-46.44	270.43	2.70	-43.74
CNC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580060	0	29	-1.0	-52.93	258.54	1.32	-51.61
CNC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580060	1	29	-1.0	-52.88	258.63	1.32	-51.56
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CC(C)CN1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004580062	0	32	-1.0	-61.17	267.43	5.11	-56.06
CC(C)CN1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004580062	1	32	-1.0	-61.10	267.53	5.12	-55.98
CCC(C)(C)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580063	0	35	-1.0	-44.58	264.88	6.55	-38.03
CCC(C)(C)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580063	1	35	-1.0	-44.52	264.98	6.54	-37.98
CC(C)(C)CC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580064	0	35	-1.0	-44.73	271.31	6.60	-38.13
CC(C)(C)CC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580064	1	35	-1.0	-44.63	271.40	6.60	-38.03
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O=C(NC1=NN=N[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004580065	1	30	-1.0	-51.35	264.11	4.19	-47.16
CC1(C(=O)NC2=N[N-]N=N2)CCC2(CC1)OCCO2	REAL250004580066	0	35	-1.0	-47.45	271.25	3.28	-44.17
CC1(C(=O)NC2=NN=N[N-]2)CCC2(CC1)OCCO2	REAL250004580066	1	35	-1.0	-47.50	271.16	3.29	-44.21
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004580067	0	26	-1.0	-44.37	246.02	4.90	-39.47
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004580067	1	26	-1.0	-44.29	246.12	4.89	-39.40
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CC1=C(C)N2N=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004580069	0	29	-1.0	-50.46	253.96	4.72	-45.74
CC1=C(C)N2N=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004580069	1	29	-1.0	-50.39	254.07	4.71	-45.68
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O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004580070	1	29	-1.0	-47.71	259.33	5.52	-42.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004580071	0	28	-1.0	-56.33	244.21	5.14	-51.19
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004580071	1	28	-1.0	-56.29	244.31	5.14	-51.15
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O=C(NC1=N[N-]N=N1)C1=C2C=COC2=C(Cl)C=C1	REAL250004580072	1	23	-1.0	-45.47	229.36	4.63	-40.84
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COC(=O)C1(C(=O)NC2=N[N-]N=N2)CC1C1=CC=CC=C1	REAL250004580074	0	33	-1.0	-43.13	281.89	6.41	-36.72
COC(=O)C1(C(=O)NC2=NN=N[N-]2)CC1C1=CC=CC=C1	REAL250004580074	1	33	-1.0	-43.19	281.80	6.43	-36.76
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004580075	0	26	-1.0	-45.24	251.28	5.48	-39.76
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004580075	1	26	-1.0	-45.18	251.37	5.47	-39.71
COC1=CC=CN2N=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004580077	0	27	-1.0	-53.55	241.00	4.14	-49.41
COC1=CC=CN2N=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004580077	1	27	-1.0	-53.42	241.10	4.13	-49.29
COCCCOC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004580078	0	37	-1.0	-48.03	308.50	4.65	-43.38
COCCCOC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004580078	1	37	-1.0	-47.94	308.59	4.65	-43.29
CC(C)(C)C1=NC=C(C=CC(=O)NC2=N[N-]N=N2)S1	REAL250004580079	0	32	-1.0	-45.09	288.50	4.77	-40.32
CC(C)(C)C1=NC=C(C=CC(=O)NC2=NN=N[N-]2)S1	REAL250004580079	1	32	-1.0	-45.15	288.39	4.77	-40.38
CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004580080	0	37	-1.0	-49.10	310.95	6.70	-42.40
CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004580080	1	37	-1.0	-49.19	310.85	6.70	-42.49
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NC1=N[N-]N=N1	REAL250004580081	0	38	-1.0	-46.27	316.72	7.20	-39.07
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NC1=NN=N[N-]1	REAL250004580081	1	38	-1.0	-46.32	316.63	7.21	-39.11
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004580082	0	31	-1.0	-44.45	274.14	6.56	-37.89
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004580082	1	31	-1.0	-44.36	274.24	6.55	-37.81
CCC1=CC=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580083	0	26	-1.0	-42.23	242.95	5.84	-36.39
CCC1=CC=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580083	1	26	-1.0	-42.19	243.04	5.83	-36.36
COC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580084	0	24	-1.0	-43.10	238.17	3.74	-39.36
COC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580084	1	24	-1.0	-43.04	238.27	3.71	-39.33
CN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=CC1=O	REAL250004580085	0	23	-1.0	-46.27	229.04	3.22	-43.05
CN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=CC1=O	REAL250004580085	1	23	-1.0	-46.22	229.13	3.20	-43.02
CC1=C(OCC(=O)NC2=N[N-]N=N2)C(=O)C=CO1	REAL250004580086	0	26	-1.0	-55.11	243.33	3.65	-51.46
CC1=C(OCC(=O)NC2=NN=N[N-]2)C(=O)C=CO1	REAL250004580086	1	26	-1.0	-55.16	243.23	3.66	-51.50
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004580087	0	28	-1.0	-47.89	259.50	5.72	-42.17
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004580087	1	28	-1.0	-47.95	259.41	5.74	-42.21
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004580088	0	28	-1.0	-50.69	270.07	6.21	-44.48
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004580088	1	28	-1.0	-50.74	269.98	6.22	-44.52
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=N[N-]N=N1	REAL250004580089	0	26	-1.0	-49.37	260.81	3.44	-45.93
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=NN=N[N-]1	REAL250004580089	1	26	-1.0	-49.43	260.72	3.45	-45.98
CCC1=NOC(COCC(=O)NC2=N[N-]N=N2)=N1	REAL250004580090	0	28	-1.0	-53.61	259.68	1.03	-52.58
CCC1=NOC(COCC(=O)NC2=NN=N[N-]2)=N1	REAL250004580090	1	28	-1.0	-53.70	259.59	1.04	-52.66
CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004580091	0	25	-1.0	-39.70	241.84	3.86	-35.84
CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004580091	1	25	-1.0	-39.76	241.75	3.87	-35.89
CN(CCCC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=NC=C1	REAL250004580092	0	35	-1.0	-54.26	300.90	3.71	-50.55
CN(CCCC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=NC=C1	REAL250004580092	1	35	-1.0	-54.20	301.00	3.70	-50.50
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580093	0	33	-1.0	-46.38	276.35	7.70	-38.68
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580093	1	33	-1.0	-46.34	276.45	7.70	-38.64
COC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004580094	0	32	-1.0	-44.05	274.34	4.15	-39.90
COC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004580094	1	32	-1.0	-43.98	274.43	4.14	-39.84
CC1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580095	0	22	-1.0	-46.28	222.62	3.29	-42.99
CC1=CC=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580095	1	22	-1.0	-46.36	222.52	3.29	-43.07
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL250004580096	0	24	-1.0	-50.49	231.10	3.46	-47.03
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1F	REAL250004580096	1	24	-1.0	-50.40	231.20	3.46	-46.94
CC1=CC2=CC=C(C)C(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004580097	0	32	-1.0	-49.47	277.20	7.00	-42.47
CC1=CC2=CC=C(C)C(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004580097	1	32	-1.0	-49.58	276.58	6.97	-42.61
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(F)(F)F)=C1	REAL250004580098	0	27	-1.0	-47.96	252.62	5.48	-42.48
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(F)(F)F)=C1	REAL250004580098	1	27	-1.0	-47.89	252.72	5.47	-42.42
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004580099	0	35	-1.0	-49.88	302.03	5.63	-44.25
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004580099	1	35	-1.0	-49.83	302.12	5.63	-44.20
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004580100	0	31	-1.0	-54.02	278.65	3.63	-50.39
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004580100	1	31	-1.0	-54.08	278.56	3.65	-50.43
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004580101	0	26	-1.0	-47.06	244.35	3.80	-43.26
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004580101	1	26	-1.0	-46.99	244.45	3.80	-43.19
O=C(NC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250004580102	0	21	-1.0	-40.03	219.20	1.22	-38.81
O=C(NC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL250004580102	1	21	-1.0	-39.92	219.30	1.21	-38.71
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004580103	0	27	-1.0	-48.82	255.01	3.30	-45.52
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004580103	1	27	-1.0	-48.79	255.11	3.28	-45.51
CN1C(=O)CCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004580104	0	31	-1.0	-49.59	264.08	4.72	-44.87
CN1C(=O)CCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004580104	1	31	-1.0	-49.48	264.18	4.69	-44.79
CC1=CC=C2CC(C)(C(=O)NC3=N[N-]N=N3)OC(=O)C2=C1	REAL250004580105	0	33	-1.0	-48.87	284.17	6.01	-42.86
CC1=CC=C2CC(C)(C(=O)NC3=NN=N[N-]3)OC(=O)C2=C1	REAL250004580105	1	33	-1.0	-48.96	284.08	6.03	-42.93
O=C(NC1=NN=N[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL250004580106	0	24	-1.0	-40.75	246.47	3.72	-37.03
O=C(NC1=N[N-]N=N1)C1(N2C=C(Br)C=N2)CC1	REAL250004580106	1	24	-1.0	-40.70	246.57	3.68	-37.02
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004580107	0	37	-1.0	-49.70	297.67	1.27	-48.43
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004580107	1	37	-1.0	-49.73	297.58	1.28	-48.45
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1C(F)F	REAL250004580108	0	29	-1.0	-45.81	264.82	5.26	-40.55
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL250004580108	1	29	-1.0	-45.88	264.71	5.27	-40.61
CC1=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=CN=C1Cl	REAL250004580109	0	25	-1.0	-38.19	252.29	3.81	-34.38
CC1=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=CN=C1Cl	REAL250004580109	1	25	-1.0	-38.14	252.39	3.79	-34.35
CC1=NN(CC(=O)NC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004580110	0	28	-1.0	-54.47	257.69	3.85	-50.62
CC1=NN(CC(=O)NC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004580110	1	28	-1.0	-54.49	257.60	3.86	-50.63
CCCOC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL250004580111	0	36	-1.0	-44.81	303.88	7.09	-37.72
CCCOC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL250004580111	1	36	-1.0	-44.87	303.79	7.10	-37.77
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCCCC2)O1	REAL250004580112	0	35	-1.0	-43.52	290.43	3.56	-39.96
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL250004580112	1	35	-1.0	-43.59	290.32	3.58	-40.01
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580113	0	35	-1.0	-45.85	291.17	6.21	-39.64
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580113	1	35	-1.0	-45.83	291.08	6.23	-39.60
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC(OC)=C1	REAL250004580114	0	31	-1.0	-48.59	271.15	3.09	-45.50
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC(OC)=C1	REAL250004580114	1	31	-1.0	-48.68	271.06	3.10	-45.58
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004580115	0	29	-1.0	-48.29	261.46	5.71	-42.58
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004580115	1	29	-1.0	-48.24	261.56	5.71	-42.53
COC1=C2C=CSC2=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580116	0	27	-1.0	-48.04	251.02	4.48	-43.56
COC1=C2C=CSC2=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580116	1	27	-1.0	-47.94	251.13	4.48	-43.46
O=C(CCCCCCCCC1CC1)NC1=N[N-]N=N1	REAL250004580117	0	41	-1.0	-43.92	334.24	8.51	-35.41
O=C(CCCCCCCCC1CC1)NC1=NN=N[N-]1	REAL250004580117	1	41	-1.0	-43.99	334.15	8.52	-35.47
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C1	REAL250004580119	0	35	-1.0	-44.91	282.07	4.80	-40.11
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C1	REAL250004580119	1	35	-1.0	-44.85	282.18	4.79	-40.06
CC(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004580120	0	26	-1.0	-43.78	240.89	5.15	-38.63
CC(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004580120	1	26	-1.0	-43.86	240.80	5.17	-38.69
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004580121	0	27	-1.0	-51.67	251.79	1.69	-49.98
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004580121	1	27	-1.0	-51.60	251.88	1.67	-49.93
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004580122	0	23	-1.0	-41.83	243.22	5.73	-36.10
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004580122	1	23	-1.0	-41.75	243.32	5.71	-36.04
O=C(NC1=NN=N[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250004580123	0	26	-1.0	-47.19	244.05	4.81	-42.38
O=C(NC1=N[N-]N=N1)C1=NOC=C1C1=CC=CC=C1	REAL250004580123	1	26	-1.0	-47.10	244.16	4.80	-42.30
COC1=CC=CC(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL250004580124	0	31	-1.0	-51.62	278.27	4.26	-47.36
COC1=CC=CC(N2C=CC(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL250004580124	1	31	-1.0	-51.61	278.37	4.26	-47.35
COC(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004580125	0	27	-1.0	-44.58	257.31	4.70	-39.88
COC(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004580125	1	27	-1.0	-44.64	257.22	4.72	-39.92
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004580126	0	29	-1.0	-45.40	258.96	5.49	-39.91
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004580126	1	29	-1.0	-45.32	259.06	5.49	-39.83
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCCO2)N=N1	REAL250004580127	0	30	-1.0	-47.45	266.90	1.23	-46.22
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCCO2)N=N1	REAL250004580127	1	30	-1.0	-47.40	267.00	1.22	-46.18
O=C(NC1=NN=N[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL250004580128	0	24	-1.0	-48.94	248.91	5.07	-43.87
O=C(NC1=N[N-]N=N1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL250004580128	1	24	-1.0	-48.90	249.01	5.07	-43.83
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=N1	REAL250004580129	0	27	-1.0	-47.19	244.53	0.51	-46.68
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=N1	REAL250004580129	1	27	-1.0	-47.13	244.63	0.50	-46.63
CCC(=O)NC1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580130	0	29	-1.0	-54.61	258.91	1.72	-52.89
CCC(=O)NC1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580130	1	29	-1.0	-54.53	259.01	1.72	-52.81
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004580131	0	30	-1.0	-48.51	272.75	2.22	-46.29
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004580131	1	30	-1.0	-48.61	272.65	2.22	-46.39
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NC1=N[N-]N=N1)C2	REAL250004580132	0	38	-1.0	-54.92	304.04	4.86	-50.06
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NC1=NN=N[N-]1)C2	REAL250004580132	1	38	-1.0	-54.94	303.94	4.87	-50.07
COC1=C(C(=O)NC2=NN=N[N-]2)SC(Cl)=C1Cl	REAL250004580133	0	21	-1.0	-41.27	242.41	4.23	-37.04
COC1=C(C(=O)NC2=N[N-]N=N2)SC(Cl)=C1Cl	REAL250004580133	1	21	-1.0	-41.18	242.52	4.22	-36.96
O=C(CC(C(F)F)N1C=CC=N1)NC1=NN=N[N-]1	REAL250004580134	0	26	-1.0	-41.15	238.29	3.09	-38.06
O=C(CC(C(F)F)N1C=CC=N1)NC1=N[N-]N=N1	REAL250004580134	1	26	-1.0	-41.07	238.38	3.07	-38.00
CC(C)C1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580135	0	29	-1.0	-42.75	256.76	6.21	-36.54
CC(C)C1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580135	1	29	-1.0	-42.68	256.82	6.19	-36.49
CCC(C)(COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004580136	0	39	-1.0	-42.84	319.87	6.42	-36.42
CCC(C)(COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004580136	1	39	-1.0	-42.91	319.77	6.43	-36.48
CC1CN2N=C(C(=O)NC3=NN=N[N-]3)C=C2C(=O)N1	REAL250004580137	0	28	-1.0	-52.32	251.81	-0.10	-52.42
CC1CN2N=C(C(=O)NC3=N[N-]N=N3)C=C2C(=O)N1	REAL250004580137	1	28	-1.0	-52.28	251.92	-0.10	-52.38
CC1(C(=O)NC2=N[N-]N=N2)CC2CCC(C1)S2	REAL250004580138	0	31	-1.0	-48.08	242.24	5.05	-43.03
CC1(C(=O)NC2=NN=N[N-]2)CC2CCC(C1)S2	REAL250004580138	1	31	-1.0	-48.13	242.15	5.07	-43.06
CC1(C(=O)NC2=N[N-]N=N2)CC2CCC(C1)S2(=O)=O	REAL250004580139	0	33	-1.0	-57.54	260.18	1.41	-56.13
CC1(C(=O)NC2=NN=N[N-]2)CC2CCC(C1)S2(=O)=O	REAL250004580139	1	33	-1.0	-57.62	260.08	1.43	-56.19
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004580140	0	24	-1.0	-41.64	225.13	1.97	-39.67
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004580140	1	24	-1.0	-41.69	225.04	1.99	-39.70
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004580141	0	25	-1.0	-47.54	243.34	1.46	-46.08
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004580141	1	25	-1.0	-47.45	243.43	1.44	-46.01
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004580142	0	26	-1.0	-39.39	256.77	4.19	-35.20
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004580142	1	26	-1.0	-39.30	256.86	4.17	-35.13
O=C(CC(C(F)F)N1C=CN=C1)NC1=N[N-]N=N1	REAL250004580143	0	26	-1.0	-45.46	240.21	4.57	-40.89
O=C(CC(C(F)F)N1C=CN=C1)NC1=NN=N[N-]1	REAL250004580143	1	26	-1.0	-45.59	240.12	4.58	-41.01
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CS2)=NO1	REAL250004580144	0	26	-1.0	-43.47	260.59	4.72	-38.75
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CS2)=NO1	REAL250004580144	1	26	-1.0	-43.41	260.69	4.70	-38.71
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL250004580145	0	25	-1.0	-51.15	232.10	4.67	-46.48
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CN=C12	REAL250004580145	1	25	-1.0	-51.06	232.20	4.67	-46.39
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250004580146	0	23	-1.0	-51.84	232.31	2.97	-48.87
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1	REAL250004580146	1	23	-1.0	-51.74	232.41	2.95	-48.79
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL250004580147	0	31	-1.0	-46.45	279.30	5.40	-41.05
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL250004580147	1	31	-1.0	-46.50	279.21	5.41	-41.09
O=C(NC1=NN=N[N-]1)C1=NC=C(Cl)C=C1Cl	REAL250004580148	0	19	-1.0	-41.71	213.92	3.08	-38.63
O=C(NC1=N[N-]N=N1)C1=NC=C(Cl)C=C1Cl	REAL250004580148	1	19	-1.0	-41.64	214.02	3.08	-38.56
O=C(NC1=N[N-]N=N1)C1COC2=CC(Cl)=CC=C2C1	REAL250004580149	0	28	-1.0	-40.50	258.77	4.85	-35.65
O=C(NC1=NN=N[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL250004580149	1	28	-1.0	-40.57	258.67	4.86	-35.71
O=C(NC1=N[N-]N=N1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL250004580150	0	27	-1.0	-45.19	239.70	5.14	-40.05
O=C(NC1=NN=N[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL250004580150	1	27	-1.0	-45.25	239.61	5.16	-40.09
CN1C=C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)C=N1	REAL250004580151	0	28	-1.0	-51.87	260.11	2.95	-48.92
CN1C=C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)C=N1	REAL250004580151	1	28	-1.0	-51.79	260.20	2.93	-48.86
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=CN=CC=C12	REAL250004580152	0	29	-1.0	-48.78	252.30	3.64	-45.14
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=CN=CC=C12	REAL250004580152	1	29	-1.0	-48.69	252.40	3.63	-45.06
COC1=CC=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580153	0	26	-1.0	-39.07	248.83	1.25	-37.82
COC1=CC=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580153	1	26	-1.0	-39.01	248.92	1.24	-37.77
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004580154	0	25	-1.0	-44.64	240.12	5.70	-38.94
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004580154	1	25	-1.0	-44.56	240.22	5.71	-38.85
O=C(NC1=NN=N[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004580155	0	26	-1.0	-59.59	245.04	-2.74	-62.33
O=C(NC1=N[N-]N=N1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004580155	1	26	-1.0	-59.54	245.14	-2.76	-62.30
CC1=NC2=C(CCCC2CC(=O)NC2=N[N-]N=N2)O1	REAL250004580156	0	32	-1.0	-53.12	266.37	3.25	-49.87
CC1=NC2=C(CCCC2CC(=O)NC2=NN=N[N-]2)O1	REAL250004580156	1	32	-1.0	-53.17	266.28	3.26	-49.91
CCCCCC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004580157	0	38	-1.0	-44.71	319.53	8.24	-36.47
CCCCCC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004580157	1	38	-1.0	-44.76	319.44	8.26	-36.50
O=C(NC1=N[N-]N=N1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004580158	0	28	-1.0	-40.51	254.59	4.47	-36.04
O=C(NC1=NN=N[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004580158	1	28	-1.0	-40.62	254.49	4.48	-36.14
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004580159	0	35	-1.0	-51.50	297.69	5.69	-45.81
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004580159	1	35	-1.0	-51.58	297.59	5.70	-45.88
CCCCC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580160	0	28	-1.0	-42.90	260.33	3.98	-38.92
CCCCC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580160	1	28	-1.0	-42.97	260.23	3.99	-38.98
CC(C)(C)OCC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580161	0	32	-1.0	-42.87	286.43	2.81	-40.06
CC(C)(C)OCC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580161	1	32	-1.0	-42.93	286.32	2.82	-40.11
CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004580162	0	26	-1.0	-49.79	233.16	5.36	-44.43
CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004580162	1	26	-1.0	-49.76	233.26	5.34	-44.42
O=C(NC1=N[N-]N=N1)[C@]12CCO[C@@H]1CCCCC2	REAL250004580163	0	34	-1.0	-48.26	238.46	3.20	-45.06
O=C(NC1=NN=N[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250004580163	1	34	-1.0	-48.34	238.36	3.20	-45.14
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004580164	0	33	-1.0	-47.19	267.59	5.44	-41.75
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004580164	1	33	-1.0	-47.15	267.68	5.43	-41.72
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004580165	0	27	-1.0	-48.36	251.99	5.91	-42.45
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004580165	1	27	-1.0	-48.39	251.90	5.92	-42.47
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004580166	0	23	-1.0	-44.11	227.18	0.98	-43.13
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004580166	1	23	-1.0	-44.04	227.28	0.98	-43.06
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2CCCCC2=N1	REAL250004580167	0	32	-1.0	-42.77	261.43	5.12	-37.65
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2CCCCC2=N1	REAL250004580167	1	32	-1.0	-42.71	261.53	5.09	-37.62
CC[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004580168	0	39	-1.0	-50.60	311.88	3.06	-47.54
CC[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004580168	1	39	-1.0	-50.68	311.78	3.07	-47.61
CC[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004580169	0	39	-1.0	-50.61	311.83	3.07	-47.54
CC[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004580169	1	39	-1.0	-50.71	311.74	3.08	-47.63
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL250004580170	0	27	-1.0	-46.84	258.54	5.02	-41.82
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL250004580170	1	27	-1.0	-46.79	258.64	5.01	-41.78
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580171	0	34	-1.0	-45.05	290.56	3.28	-41.77
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580171	1	34	-1.0	-45.03	290.66	3.26	-41.77
CN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580172	0	31	-1.0	-45.26	268.95	2.41	-42.85
CN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580172	1	31	-1.0	-45.18	269.05	2.40	-42.78
CC1=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=NN1C	REAL250004580173	0	34	-1.0	-43.98	285.41	2.85	-41.13
CC1=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=NN1C	REAL250004580173	1	34	-1.0	-44.05	285.32	2.87	-41.18
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580174	0	34	-1.0	-45.57	274.24	3.27	-42.30
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580174	1	34	-1.0	-45.64	274.15	3.28	-42.36
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL250004580175	0	30	-1.0	-47.25	272.38	4.89	-42.36
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL250004580175	1	30	-1.0	-47.20	272.49	4.88	-42.32
O=C(NC1=N[N-]N=N1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004580176	0	29	-1.0	-56.29	257.70	4.90	-51.39
O=C(NC1=NN=N[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004580176	1	29	-1.0	-56.36	257.60	4.91	-51.45
COC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004580177	0	30	-1.0	-44.44	274.18	2.82	-41.62
COC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004580177	1	30	-1.0	-44.38	274.28	2.79	-41.59
CC(C)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C(C)C)O1	REAL250004580178	0	35	-1.0	-43.52	294.72	6.25	-37.27
CC(C)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C(C)C)O1	REAL250004580178	1	35	-1.0	-43.51	294.82	6.23	-37.28
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004580179	0	28	-1.0	-49.77	255.78	3.36	-46.41
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004580179	1	28	-1.0	-49.83	255.69	3.37	-46.46
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004580180	0	27	-1.0	-46.26	252.63	3.24	-43.02
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004580180	1	27	-1.0	-46.20	252.73	3.24	-42.96
COC(=O)C1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)O2)N1	REAL250004580181	0	27	-1.0	-42.37	259.71	2.49	-39.88
COC(=O)C1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)O2)N1	REAL250004580181	1	27	-1.0	-42.30	259.81	2.48	-39.82
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004580182	0	29	-1.0	-52.16	268.28	6.49	-45.67
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004580182	1	29	-1.0	-52.24	268.18	6.51	-45.73
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250004580183	0	23	-1.0	-45.16	226.57	4.77	-40.39
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL250004580183	1	23	-1.0	-45.04	226.67	4.74	-40.30
CS(=O)(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580184	0	32	-1.0	-50.92	294.24	2.81	-48.11
CS(=O)(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580184	1	32	-1.0	-51.00	294.15	2.82	-48.18
CC(C)CC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580185	0	28	-1.0	-43.09	255.58	3.67	-39.42
CC(C)CC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580185	1	28	-1.0	-43.17	255.48	3.68	-39.49
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004580186	0	35	-1.0	-53.63	283.57	5.44	-48.19
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004580186	1	35	-1.0	-53.70	283.48	5.46	-48.24
O=C(NC1=NN=N[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL250004580187	0	28	-1.0	-49.31	247.65	3.58	-45.73
O=C(NC1=N[N-]N=N1)C1=CN=C2CCCC(=O)C2=C1	REAL250004580187	1	28	-1.0	-49.20	247.75	3.58	-45.62
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250004580188	0	23	-1.0	-41.82	226.57	4.76	-37.06
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)F)C(F)=C1	REAL250004580188	1	23	-1.0	-41.74	226.67	4.74	-37.00
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=C1	REAL250004580189	0	33	-1.0	-44.65	283.53	6.82	-37.83
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=C1	REAL250004580189	1	33	-1.0	-44.54	283.62	6.78	-37.76
CC(C)(C)CC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580190	0	31	-1.0	-43.15	272.27	4.25	-38.90
CC(C)(C)CC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580190	1	31	-1.0	-43.24	272.17	4.26	-38.98
COC(=O)C1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580191	0	29	-1.0	-46.58	258.21	5.14	-41.44
COC(=O)C1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580191	1	29	-1.0	-46.52	258.31	5.13	-41.39
COC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004580192	0	34	-1.0	-42.70	258.39	3.58	-39.12
COC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004580192	1	34	-1.0	-42.75	258.30	3.59	-39.16
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580193	0	37	-1.0	-45.15	305.91	4.06	-41.09
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580193	1	37	-1.0	-45.24	305.82	4.08	-41.16
O=C(C=CC1=CC=C(Br)O1)NC1=N[N-]N=N1	REAL250004580194	0	21	-1.0	-43.02	226.35	3.92	-39.10
O=C(C=CC1=CC=C(Br)O1)NC1=NN=N[N-]1	REAL250004580194	1	21	-1.0	-43.12	226.24	3.92	-39.20
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL250004580195	0	32	-1.0	-46.55	277.26	5.03	-41.52
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL250004580195	1	32	-1.0	-46.48	277.36	5.04	-41.44
CSC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580196	0	30	-1.0	-43.97	273.76	6.30	-37.67
CSC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580196	1	30	-1.0	-44.04	273.67	6.32	-37.72
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1=N[N-]N=N1	REAL250004580197	0	25	-1.0	-48.61	239.61	4.76	-43.85
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1=NN=N[N-]1	REAL250004580197	1	25	-1.0	-48.67	239.52	4.77	-43.90
CP(C)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580198	0	29	-1.0	-50.65	267.40	3.38	-47.27
CP(C)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580198	1	29	-1.0	-50.60	267.50	3.37	-47.23
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580199	0	25	-1.0	-49.62	244.14	-0.59	-50.21
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580199	1	25	-1.0	-49.52	244.24	-0.59	-50.11
O=C(NC1=N[N-]N=N1)C1=NN2CCCCC(=O)C2=C1	REAL250004580200	0	29	-1.0	-48.82	256.00	3.04	-45.78
O=C(NC1=NN=N[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL250004580200	1	29	-1.0	-48.86	255.90	3.05	-45.81
O=C(NC1=NN=N[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL250004580201	0	28	-1.0	-45.29	260.77	7.11	-38.18
O=C(NC1=N[N-]N=N1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL250004580201	1	28	-1.0	-45.24	260.87	7.10	-38.14
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL250004580202	0	27	-1.0	-50.38	261.48	5.08	-45.30
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL250004580202	1	27	-1.0	-50.33	261.58	5.08	-45.25
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1CCCCC2	REAL250004580203	0	33	-1.0	-46.41	259.75	6.62	-39.79
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1CCCCC2	REAL250004580203	1	33	-1.0	-46.34	259.84	6.61	-39.73
O=C(CC1=NN(CC(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004580204	0	26	-1.0	-54.28	253.58	3.61	-50.67
O=C(CC1=NN(CC(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004580204	1	26	-1.0	-54.36	253.49	3.62	-50.74
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580205	0	30	-1.0	-40.89	273.61	5.17	-35.72
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580205	1	30	-1.0	-40.82	273.71	5.16	-35.66
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250004580206	0	28	-1.0	-49.08	247.14	6.93	-42.15
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=C1	REAL250004580206	1	28	-1.0	-48.99	247.24	6.90	-42.09
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1N1CCOCC1	REAL250004580207	0	32	-1.0	-44.85	268.13	2.06	-42.79
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1N1CCOCC1	REAL250004580207	1	32	-1.0	-44.75	268.23	2.03	-42.72
CCOC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004580208	0	33	-1.0	-55.87	287.28	6.10	-49.77
CCOC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004580208	1	33	-1.0	-55.83	287.38	6.09	-49.74
CC(C)(C(=O)NC1=N[N-]N=N1)C(F)C1=CC=CC=C1	REAL250004580209	0	32	-1.0	-45.72	266.04	6.11	-39.61
CC(C)(C(=O)NC1=NN=N[N-]1)C(F)C1=CC=CC=C1	REAL250004580209	1	32	-1.0	-45.75	265.95	6.12	-39.63
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004580210	0	37	-1.0	-43.65	309.24	0.62	-43.03
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004580210	1	37	-1.0	-43.70	309.15	0.63	-43.07
CC(C)CC1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580211	0	29	-1.0	-43.88	261.06	5.65	-38.23
CC(C)CC1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580211	1	29	-1.0	-43.79	261.17	5.64	-38.15
O=C(CCC1=CC=C2OCCCC2=C1)NC1=N[N-]N=N1	REAL250004580212	0	34	-1.0	-44.82	287.25	5.92	-38.90
O=C(CCC1=CC=C2OCCCC2=C1)NC1=NN=N[N-]1	REAL250004580212	1	34	-1.0	-44.87	287.16	5.93	-38.94
CC1=NN(C2=CC=CC=C2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580213	0	30	-1.0	-44.22	265.82	5.83	-38.39
CC1=NN(C2=CC=CC=C2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580213	1	30	-1.0	-44.14	265.92	5.82	-38.32
CN(C)C1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=CC=C1	REAL250004580214	0	31	-1.0	-46.10	280.81	4.70	-41.40
CN(C)C1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=CC=C1	REAL250004580214	1	31	-1.0	-46.02	280.92	4.69	-41.33
O=C(CC1=C(Br)SC=C1)NC1=N[N-]N=N1	REAL250004580215	0	20	-1.0	-44.08	222.08	4.09	-39.99
O=C(CC1=C(Br)SC=C1)NC1=NN=N[N-]1	REAL250004580215	1	20	-1.0	-44.14	221.99	4.11	-40.03
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004580216	0	29	-1.0	-48.39	255.86	5.51	-42.88
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004580216	1	29	-1.0	-48.31	255.96	5.49	-42.82
COC1=C(Cl)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580217	0	24	-1.0	-46.74	232.62	4.89	-41.85
COC1=C(Cl)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580217	1	24	-1.0	-46.65	232.73	4.88	-41.77
N#CC1=C2CCCCN2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580218	0	29	-1.0	-44.93	253.92	5.45	-39.48
N#CC1=C2CCCCN2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580218	1	29	-1.0	-44.82	254.02	5.44	-39.38
COC(=O)C1=C2CCCCN2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580219	0	34	-1.0	-45.44	286.85	5.63	-39.81
COC(=O)C1=C2CCCCN2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580219	1	34	-1.0	-45.39	286.95	5.62	-39.77
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004580220	0	26	-1.0	-44.76	254.65	4.33	-40.43
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004580220	1	26	-1.0	-44.71	254.75	4.31	-40.40
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CC1	REAL250004580221	0	33	-1.0	-43.09	283.99	7.17	-35.92
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250004580221	1	33	-1.0	-43.12	283.90	7.17	-35.95
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004580222	0	25	-1.0	-48.14	249.68	2.85	-45.29
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004580222	1	25	-1.0	-48.05	249.78	2.83	-45.22
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004580223	0	30	-1.0	-49.80	264.80	4.93	-44.87
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004580223	1	30	-1.0	-49.73	264.89	4.92	-44.81
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004580224	0	34	-1.0	-49.18	267.39	6.24	-42.94
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004580224	1	34	-1.0	-49.29	267.29	6.26	-43.03
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004580225	0	26	-1.0	-46.18	249.25	2.28	-43.90
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004580225	1	26	-1.0	-46.12	249.35	2.27	-43.85
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL250004580226	0	24	-1.0	-43.91	237.84	3.67	-40.24
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1F	REAL250004580226	1	24	-1.0	-43.83	237.94	3.67	-40.16
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004580227	0	22	-1.0	-38.01	233.51	3.21	-34.80
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004580227	1	22	-1.0	-37.95	233.61	3.19	-34.76
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004580228	0	22	-1.0	-35.20	225.14	3.83	-31.37
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004580228	1	22	-1.0	-35.28	225.05	3.84	-31.44
CC(C)[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004580229	0	42	-1.0	-50.09	328.35	3.56	-46.53
CC(C)[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004580229	1	42	-1.0	-50.18	328.25	3.57	-46.61
CC(C)[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004580230	0	42	-1.0	-50.31	331.90	4.04	-46.27
CC(C)[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004580230	1	42	-1.0	-50.39	331.80	4.05	-46.34
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=N[N-]N=N1	REAL250004580231	0	28	-1.0	-53.11	257.15	3.90	-49.21
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=NN=N[N-]1	REAL250004580231	1	28	-1.0	-53.21	257.06	3.91	-49.30
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL250004580232	0	34	-1.0	-47.07	287.57	3.69	-43.38
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCCCO2)N=C1	REAL250004580232	1	34	-1.0	-46.98	287.67	3.69	-43.29
O=C(NC1=NN=N[N-]1)C1=CSC2=C1CCCCCC2	REAL250004580233	0	33	-1.0	-45.72	263.39	6.27	-39.45
O=C(NC1=N[N-]N=N1)C1=CSC2=C1CCCCCC2	REAL250004580233	1	33	-1.0	-45.64	263.49	6.25	-39.39
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=NN=N[N-]1	REAL250004580234	0	33	-1.0	-45.58	274.03	6.29	-39.29
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=N[N-]N=N1	REAL250004580234	1	33	-1.0	-45.51	274.13	6.28	-39.23
O=C(NC1=NN=N[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL250004580235	0	28	-1.0	-57.14	246.99	2.27	-54.87
O=C(NC1=N[N-]N=N1)C1=CC=C2CCNC(=O)C2=C1	REAL250004580235	1	28	-1.0	-57.08	247.09	2.26	-54.82
CC1=CC2=CC=NC=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580236	0	28	-1.0	-49.41	245.26	4.92	-44.49
CC1=CC2=CC=NC=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580236	1	28	-1.0	-49.30	245.36	4.92	-44.38
CC(C)(C)OCCOCCC(=O)NC1=N[N-]N=N1	REAL250004580237	0	36	-1.0	-43.91	297.44	2.91	-41.00
CC(C)(C)OCCOCCC(=O)NC1=NN=N[N-]1	REAL250004580237	1	36	-1.0	-43.95	297.35	2.92	-41.03
CC(C)C1CCC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)C1	REAL250004580238	0	36	-1.0	-43.87	299.12	7.18	-36.69
CC(C)C1CCC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)C1	REAL250004580238	1	36	-1.0	-43.83	299.22	7.16	-36.67
O=C(NC1=NN=N[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL250004580239	0	28	-1.0	-49.83	247.24	2.99	-46.84
O=C(NC1=N[N-]N=N1)C1=CC=C2CCC(=O)NC2=C1	REAL250004580239	1	28	-1.0	-49.76	247.34	2.97	-46.79
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580240	0	30	-1.0	-44.91	272.88	5.63	-39.28
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580240	1	30	-1.0	-44.88	272.98	5.62	-39.26
CC1=CC=CN2C(CC(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004580241	0	29	-1.0	-52.12	260.11	5.44	-46.68
CC1=CC=CN2C(CC(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004580241	1	29	-1.0	-52.17	260.01	5.46	-46.71
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL250004580242	0	34	-1.0	-43.65	292.25	7.08	-36.57
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL250004580242	1	34	-1.0	-43.70	292.16	7.10	-36.60
CS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580243	0	29	-1.0	-55.30	272.84	1.99	-53.31
CS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580243	1	29	-1.0	-55.33	272.75	2.01	-53.32
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004580244	0	30	-1.0	-47.96	276.14	6.24	-41.72
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004580244	1	30	-1.0	-47.88	276.24	6.23	-41.65
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL250004580245	0	31	-1.0	-52.53	289.64	5.95	-46.58
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1OCC1CC1	REAL250004580245	1	31	-1.0	-52.52	289.74	5.93	-46.59
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2CCCCC2)=NO1	REAL250004580246	0	35	-1.0	-41.18	294.54	5.84	-35.34
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004580246	1	35	-1.0	-41.25	294.45	5.86	-35.39
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004580247	0	32	-1.0	-41.08	276.14	5.19	-35.89
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004580247	1	32	-1.0	-41.11	276.04	5.22	-35.89
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580248	0	33	-1.0	-48.16	294.91	7.22	-40.94
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580248	1	33	-1.0	-48.06	295.01	7.19	-40.87
CN1C=C(C2(C(=O)NC3=NN=N[N-]3)CCCO2)C=N1	REAL250004580249	0	31	-1.0	-46.62	266.64	2.41	-44.21
CN1C=C(C2(C(=O)NC3=N[N-]N=N3)CCCO2)C=N1	REAL250004580249	1	31	-1.0	-46.58	266.73	2.39	-44.19
COC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)C(C)=CO1	REAL250004580250	0	29	-1.0	-47.53	271.48	4.03	-43.50
COC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)C(C)=CO1	REAL250004580250	1	29	-1.0	-47.47	271.58	4.01	-43.46
O=C(NC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004580251	0	30	-1.0	-43.10	256.67	5.50	-37.60
O=C(NC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004580251	1	30	-1.0	-43.16	256.57	5.51	-37.65
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=N[N-]N=N1	REAL250004580252	0	32	-1.0	-58.99	280.75	1.60	-57.39
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=NN=N[N-]1	REAL250004580252	1	32	-1.0	-59.08	280.65	1.62	-57.46
CN1N=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004580253	0	20	-1.0	-43.76	224.08	2.46	-41.30
CN1N=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004580253	1	20	-1.0	-43.72	224.18	2.46	-41.26
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=N[N-]N=N1	REAL250004580254	0	40	-1.0	-54.07	321.46	4.74	-49.33
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=NN=N[N-]1	REAL250004580254	1	40	-1.0	-54.15	321.36	4.76	-49.39
CCC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004580255	0	31	-1.0	-45.96	270.48	5.21	-40.75
CCC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004580255	1	31	-1.0	-45.97	270.57	5.21	-40.76
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004580256	0	33	-1.0	-39.81	260.51	4.29	-35.52
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004580256	1	33	-1.0	-39.86	260.41	4.30	-35.56
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCCO1	REAL250004580257	0	32	-1.0	-43.74	259.15	3.26	-40.48
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCCO1	REAL250004580257	1	32	-1.0	-43.80	259.06	3.27	-40.53
O=C(C=CC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004580258	0	24	-1.0	-46.13	233.95	5.09	-41.04
O=C(C=CC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004580258	1	24	-1.0	-46.21	233.84	5.09	-41.12
O=C(CCC1=CN=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004580259	0	25	-1.0	-43.10	249.62	4.11	-38.99
O=C(CCC1=CN=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004580259	1	25	-1.0	-43.00	249.71	4.10	-38.90
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004580260	0	24	-1.0	-42.70	233.05	3.46	-39.24
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004580260	1	24	-1.0	-42.63	233.14	3.44	-39.19
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004580261	0	33	-1.0	-49.68	272.72	5.50	-44.18
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004580261	1	33	-1.0	-49.60	272.81	5.49	-44.11
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580262	0	31	-1.0	-43.90	271.57	4.75	-39.15
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580262	1	31	-1.0	-43.81	271.66	4.75	-39.06
CC1(C)OC(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004580263	0	30	-1.0	-52.82	267.66	5.50	-47.32
CC1(C)OC(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004580263	1	30	-1.0	-52.80	267.76	5.49	-47.31
O=C(NC1=NN=N[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL250004580264	0	26	-1.0	-43.59	253.85	4.90	-38.69
O=C(NC1=N[N-]N=N1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL250004580264	1	26	-1.0	-43.53	253.95	4.89	-38.64
NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580265	0	26	-1.0	-55.10	249.24	0.41	-54.69
NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580265	1	26	-1.0	-55.04	249.34	0.38	-54.66
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCO1	REAL250004580266	0	34	-1.0	-43.72	273.66	5.48	-38.24
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCO1	REAL250004580266	1	34	-1.0	-43.76	273.56	5.50	-38.26
CN1N=C(C2CCOCC2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580267	0	34	-1.0	-41.09	282.38	2.89	-38.20
CN1N=C(C2CCOCC2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580267	1	34	-1.0	-41.15	282.28	2.89	-38.26
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=NN=N[N-]1	REAL250004580268	0	30	-1.0	-53.65	271.70	5.80	-47.85
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=N[N-]N=N1	REAL250004580268	1	30	-1.0	-53.55	271.79	5.79	-47.76
COC(=O)C1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004580269	0	28	-1.0	-43.69	247.85	3.23	-40.46
COC(=O)C1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004580269	1	28	-1.0	-43.62	247.95	3.22	-40.40
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL250004580270	0	30	-1.0	-52.75	275.81	5.56	-47.19
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL250004580270	1	30	-1.0	-52.66	275.91	5.55	-47.11
CC(=O)NC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580271	0	33	-1.0	-45.92	268.52	2.79	-43.13
CC(=O)NC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580271	1	33	-1.0	-45.98	268.41	2.81	-43.17
CN(C)C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580272	0	29	-1.0	-43.71	256.46	2.91	-40.80
CN(C)C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580272	1	29	-1.0	-43.61	256.55	2.90	-40.71
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL250004580273	0	28	-1.0	-41.93	252.55	4.75	-37.18
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL250004580273	1	28	-1.0	-41.83	252.65	4.75	-37.08
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580274	0	29	-1.0	-55.27	271.17	1.85	-53.42
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580274	1	29	-1.0	-55.18	271.26	1.83	-53.35
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004580275	0	27	-1.0	-50.61	246.69	4.11	-46.50
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004580275	1	27	-1.0	-50.58	246.79	4.09	-46.49
CN1C=C(Br)C(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004580276	0	23	-1.0	-48.50	235.88	2.72	-45.78
CN1C=C(Br)C(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004580276	1	23	-1.0	-48.54	235.79	2.75	-45.79
C=CCCCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580277	0	33	-1.0	-45.16	286.10	7.36	-37.80
C=CCCCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580277	1	33	-1.0	-45.08	286.20	7.35	-37.73
CCC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004580278	0	29	-1.0	-45.05	262.16	6.59	-38.46
CCC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004580278	1	29	-1.0	-44.95	262.26	6.58	-38.37
CN1N=CC2=CC(CC(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004580279	0	29	-1.0	-48.76	261.50	4.46	-44.30
CN1N=CC2=CC(CC(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004580279	1	29	-1.0	-48.82	261.41	4.47	-44.35
CC1=CC=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004580280	0	28	-1.0	-44.63	248.80	5.01	-39.62
CC1=CC=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004580280	1	28	-1.0	-44.55	248.90	5.01	-39.54
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004580281	0	31	-1.0	-45.71	268.97	4.81	-40.90
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004580281	1	31	-1.0	-45.75	268.87	4.81	-40.94
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004580282	0	36	-1.0	-47.21	300.73	8.24	-38.97
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004580282	1	36	-1.0	-47.17	300.82	8.23	-38.94
CC1=CC(CC(=O)NC2=N[N-]N=N2)=NC=C1Cl	REAL250004580283	0	25	-1.0	-49.08	241.38	3.97	-45.11
CC1=CC(CC(=O)NC2=NN=N[N-]2)=NC=C1Cl	REAL250004580283	1	25	-1.0	-49.16	241.28	3.98	-45.18
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004580284	0	29	-1.0	-43.60	258.18	5.14	-38.46
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004580284	1	29	-1.0	-43.51	258.27	5.13	-38.38
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004580285	0	26	-1.0	-45.34	254.65	4.97	-40.37
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004580285	1	26	-1.0	-45.24	254.74	4.96	-40.28
CC1=CC(Cl)=CC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004580286	0	26	-1.0	-42.16	246.86	5.24	-36.92
CC1=CC(Cl)=CC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004580286	1	26	-1.0	-42.12	246.95	5.24	-36.88
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004580287	0	33	-1.0	-45.92	268.52	2.78	-43.14
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004580287	1	33	-1.0	-45.97	268.41	2.81	-43.16
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004580288	0	29	-1.0	-45.13	259.97	5.36	-39.77
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004580288	1	29	-1.0	-45.04	260.07	5.37	-39.67
CN1CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004580289	0	30	-1.0	-46.88	261.73	2.98	-43.90
CN1CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004580289	1	30	-1.0	-46.76	261.83	2.98	-43.78
CC(F)(F)C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004580290	0	30	-1.0	-39.96	241.46	2.72	-37.24
CC(F)(F)C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004580290	1	30	-1.0	-40.01	241.37	2.74	-37.27
O=C(NC1=N[N-]N=N1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004580291	0	31	-1.0	-48.41	250.61	1.46	-46.95
O=C(NC1=NN=N[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004580291	1	31	-1.0	-48.48	250.52	1.47	-47.01
O=C(NC1=N[N-]N=N1)C1(C2CCCCO2)CCCO1	REAL250004580292	0	35	-1.0	-43.45	276.67	3.26	-40.19
O=C(NC1=NN=N[N-]1)C1(C2CCCCO2)CCCO1	REAL250004580292	1	35	-1.0	-43.46	276.58	3.28	-40.18
CC1=CC=CC(C(C(=O)NC2=N[N-]N=N2)C2CCCCC2)=C1	REAL250004580293	0	42	-1.0	-44.29	328.98	8.76	-35.53
CC1=CC=CC(C(C(=O)NC2=NN=N[N-]2)C2CCCCC2)=C1	REAL250004580293	1	42	-1.0	-44.38	328.89	8.76	-35.62
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL250004580294	0	30	-1.0	-52.75	272.60	5.20	-47.55
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC(F)=C2)=N1	REAL250004580294	1	30	-1.0	-52.68	272.68	5.19	-47.49
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004580295	0	25	-1.0	-46.39	241.88	2.77	-43.62
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004580295	1	25	-1.0	-46.29	241.98	2.77	-43.52
CS(=O)(=O)C1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004580296	0	23	-1.0	-51.63	234.33	1.26	-50.37
CS(=O)(=O)C1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004580296	1	23	-1.0	-51.58	234.43	1.25	-50.33
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004580297	0	26	-1.0	-42.61	258.22	4.49	-38.12
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004580297	1	26	-1.0	-42.57	258.31	4.48	-38.09
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NC1=N[N-]N=N1	REAL250004580298	0	28	-1.0	-48.40	266.61	5.43	-42.97
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NC1=NN=N[N-]1	REAL250004580298	1	28	-1.0	-48.46	266.52	5.44	-43.02
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004580299	0	38	-1.0	-42.30	308.45	0.94	-41.36
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004580299	1	38	-1.0	-42.36	308.36	0.95	-41.41
CCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004580300	0	29	-1.0	-42.09	264.81	6.12	-35.97
CCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004580300	1	29	-1.0	-42.19	264.73	6.13	-36.06
CC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)CC2=C1	REAL250004580301	0	28	-1.0	-45.23	257.10	5.99	-39.24
CC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)CC2=C1	REAL250004580301	1	28	-1.0	-45.25	257.01	6.01	-39.24
O=C(CC1=CC=C(C2CCC2)C=C1)NC1=N[N-]N=N1	REAL250004580302	0	33	-1.0	-44.91	277.91	7.06	-37.85
O=C(CC1=CC=C(C2CCC2)C=C1)NC1=NN=N[N-]1	REAL250004580302	1	33	-1.0	-44.98	277.81	7.08	-37.90
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL250004580303	0	26	-1.0	-44.73	258.10	5.21	-39.52
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL250004580303	1	26	-1.0	-44.70	258.20	5.21	-39.49
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004580304	0	28	-1.0	-43.94	259.17	5.18	-38.76
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004580304	1	28	-1.0	-43.88	259.26	5.16	-38.72
O=C(NC1=NN=N[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250004580305	0	27	-1.0	-50.69	241.71	0.89	-49.80
O=C(NC1=N[N-]N=N1)C1=CC=C2CNC(=O)NC2=C1	REAL250004580305	1	27	-1.0	-50.58	241.81	0.87	-49.71
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004580306	0	33	-1.0	-47.59	272.23	5.59	-42.00
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004580306	1	33	-1.0	-47.54	272.32	5.56	-41.98
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)N(C)C2=C1	REAL250004580307	0	31	-1.0	-44.77	268.43	4.65	-40.12
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)N(C)C2=C1	REAL250004580307	1	31	-1.0	-44.71	268.53	4.64	-40.07
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004580308	0	23	-1.0	-42.61	228.77	2.37	-40.24
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004580308	1	23	-1.0	-42.53	228.87	2.36	-40.17
O=C(NC1=NN=N[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250004580309	0	24	-1.0	-46.60	232.45	3.18	-43.42
O=C(NC1=N[N-]N=N1)C1=CN(C2CC2(F)F)N=C1	REAL250004580309	1	24	-1.0	-46.52	232.56	3.17	-43.35
O=C(COCCC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004580310	0	27	-1.0	-46.00	275.39	5.31	-40.69
O=C(COCCC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004580310	1	27	-1.0	-46.08	275.30	5.32	-40.76
CC1=CC=C(C)C(C(C(=O)NC2=N[N-]N=N2)C(C)C)=C1	REAL250004580311	0	38	-1.0	-45.60	306.82	7.27	-38.33
CC1=CC=C(C)C(C(C(=O)NC2=NN=N[N-]2)C(C)C)=C1	REAL250004580311	1	38	-1.0	-45.67	306.72	7.28	-38.39
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOC2)S1	REAL250004580312	0	27	-1.0	-43.20	251.78	1.76	-41.44
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOC2)S1	REAL250004580312	1	27	-1.0	-43.28	251.67	1.77	-41.51
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL250004580313	0	27	-1.0	-44.97	261.81	6.35	-38.62
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL250004580313	1	27	-1.0	-44.90	261.92	6.34	-38.56
CN1C=CC(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)=N1	REAL250004580314	0	26	-1.0	-46.50	251.01	2.61	-43.89
CN1C=CC(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)=N1	REAL250004580314	1	26	-1.0	-46.43	251.10	2.60	-43.83
O=C(COCCC1=CC=CS1)NC1=N[N-]N=N1	REAL250004580315	0	27	-1.0	-46.57	258.35	4.69	-41.88
O=C(COCCC1=CC=CS1)NC1=NN=N[N-]1	REAL250004580315	1	27	-1.0	-46.66	258.25	4.70	-41.96
CC1=C(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N=N1	REAL250004580316	0	30	-1.0	-44.56	259.58	4.17	-40.39
CC1=C(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N=N1	REAL250004580316	1	30	-1.0	-44.45	259.67	4.15	-40.30
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004580317	0	34	-1.0	-46.05	273.37	7.26	-38.79
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004580317	1	34	-1.0	-46.16	273.28	7.27	-38.89
CCN1N=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004580318	0	23	-1.0	-40.35	236.10	2.91	-37.44
CCN1N=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004580318	1	23	-1.0	-40.24	236.20	2.90	-37.34
CCN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580319	0	23	-1.0	-48.07	233.57	3.08	-44.99
CCN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580319	1	23	-1.0	-48.00	233.67	3.07	-44.93
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004580320	0	33	-1.0	-51.12	273.24	2.37	-48.75
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004580320	1	33	-1.0	-51.18	273.15	2.39	-48.79
O=C(NC1=NN=N[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL250004580321	0	27	-1.0	-45.25	261.28	5.25	-40.00
O=C(NC1=N[N-]N=N1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL250004580321	1	27	-1.0	-45.18	261.38	5.23	-39.95
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL250004580322	0	34	-1.0	-49.61	288.40	4.20	-45.41
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL250004580322	1	34	-1.0	-49.57	288.50	4.19	-45.38
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004580323	0	33	-1.0	-49.34	296.40	6.12	-43.22
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004580323	1	33	-1.0	-49.42	296.30	6.14	-43.28
CC1OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1C	REAL250004580324	0	31	-1.0	-44.76	260.80	4.91	-39.85
CC1OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1C	REAL250004580324	1	31	-1.0	-44.70	260.90	4.91	-39.79
CN1C=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004580325	0	26	-1.0	-42.94	243.76	3.35	-39.59
CN1C=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004580325	1	26	-1.0	-43.03	243.66	3.36	-39.67
COC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=C1	REAL250004580326	0	31	-1.0	-49.41	273.39	3.83	-45.58
COC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=C1	REAL250004580326	1	31	-1.0	-49.35	273.48	3.81	-45.54
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004580327	0	35	-1.0	-43.30	308.84	7.08	-36.22
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004580327	1	35	-1.0	-43.22	308.94	7.05	-36.17
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL250004580328	0	39	-1.0	-44.93	306.41	8.16	-36.77
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL250004580328	1	39	-1.0	-45.01	306.34	8.19	-36.82
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=N[N-]N=N1	REAL250004580329	0	29	-1.0	-52.07	263.16	3.55	-48.52
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=NN=N[N-]1	REAL250004580329	1	29	-1.0	-52.16	263.07	3.57	-48.59
O=C(NC1=NN=N[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL250004580330	0	25	-1.0	-46.50	248.24	4.85	-41.65
O=C(NC1=N[N-]N=N1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL250004580330	1	25	-1.0	-46.43	248.33	4.84	-41.59
O=C(C=CC1=CC=C(C(F)F)O1)NC1=N[N-]N=N1	REAL250004580331	0	24	-1.0	-43.73	239.71	4.30	-39.43
O=C(C=CC1=CC=C(C(F)F)O1)NC1=NN=N[N-]1	REAL250004580331	1	24	-1.0	-43.82	239.61	4.30	-39.52
O=C(CCC1=CC=C(Cl)N=C1)NC1=NN=N[N-]1	REAL250004580332	0	25	-1.0	-44.34	245.16	3.93	-40.41
O=C(CCC1=CC=C(Cl)N=C1)NC1=N[N-]N=N1	REAL250004580332	1	25	-1.0	-44.27	245.26	3.92	-40.35
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580333	0	27	-1.0	-42.28	247.96	4.36	-37.92
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580333	1	27	-1.0	-42.22	248.06	4.35	-37.87
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=N[N-]N=N1	REAL250004580334	0	30	-1.0	-42.82	260.15	5.51	-37.31
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=NN=N[N-]1	REAL250004580334	1	30	-1.0	-42.92	260.06	5.53	-37.39
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=N[N-]N=N1	REAL250004580335	0	35	-1.0	-45.33	263.91	6.32	-39.01
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=NN=N[N-]1	REAL250004580335	1	35	-1.0	-45.40	263.82	6.33	-39.07
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004580336	0	29	-1.0	-43.84	270.09	6.46	-37.38
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004580336	1	29	-1.0	-43.92	269.99	6.47	-37.45
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004580337	0	29	-1.0	-44.88	263.68	6.27	-38.61
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004580337	1	29	-1.0	-44.99	263.58	6.28	-38.71
CC1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004580338	0	22	-1.0	-41.21	222.01	3.37	-37.84
CC1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004580338	1	22	-1.0	-41.14	222.10	3.35	-37.79
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004580339	0	29	-1.0	-42.74	267.13	6.04	-36.70
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004580339	1	29	-1.0	-42.83	267.03	6.06	-36.77
O=C(NC1=N[N-]N=N1)C1CCCC12CCOCC2	REAL250004580340	0	34	-1.0	-46.55	258.41	3.67	-42.88
O=C(NC1=NN=N[N-]1)C1CCCC12CCOCC2	REAL250004580340	1	34	-1.0	-46.55	258.32	3.68	-42.87
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004580341	0	26	-1.0	-41.30	252.00	1.60	-39.70
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004580341	1	26	-1.0	-41.27	252.24	1.61	-39.66
O=C(NC1=NN=N[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004580342	0	28	-1.0	-51.01	260.70	2.14	-48.87
O=C(NC1=N[N-]N=N1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004580342	1	28	-1.0	-50.90	260.80	2.12	-48.78
O=C(NC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004580343	0	25	-1.0	-48.55	246.37	3.37	-45.18
O=C(NC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004580343	1	25	-1.0	-48.59	246.27	3.38	-45.21
CC1(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004580344	0	30	-1.0	-46.08	265.25	6.42	-39.66
CC1(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004580344	1	30	-1.0	-46.02	265.35	6.40	-39.62
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=NN=N[N-]1	REAL250004580345	0	28	-1.0	-49.08	253.18	4.85	-44.23
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=N[N-]N=N1	REAL250004580345	1	28	-1.0	-48.97	253.27	4.83	-44.14
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004580346	0	20	-1.0	-40.42	233.69	4.93	-35.49
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004580346	1	20	-1.0	-40.35	233.80	4.92	-35.43
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004580347	0	29	-1.0	-45.18	258.20	4.93	-40.25
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004580347	1	29	-1.0	-45.23	258.11	4.93	-40.30
COC(=O)C1CC2(CC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL250004580348	0	33	-1.0	-47.39	282.50	5.29	-42.10
COC(=O)C1CC2(CC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL250004580348	1	33	-1.0	-47.45	282.40	5.30	-42.15
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL250004580349	0	23	-1.0	-41.26	239.22	5.21	-36.05
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL250004580349	1	23	-1.0	-41.17	239.31	5.20	-35.97
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004580350	0	31	-1.0	-51.63	276.98	4.65	-46.98
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004580350	1	31	-1.0	-51.74	276.88	4.67	-47.07
CC(=O)NC1=CN=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580351	0	29	-1.0	-50.39	254.93	1.59	-48.80
CC(=O)NC1=CN=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580351	1	29	-1.0	-50.36	255.03	1.58	-48.78
CC1CCCN2C(CC(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004580352	0	33	-1.0	-50.97	275.37	5.01	-45.96
CC1CCCN2C(CC(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004580352	1	33	-1.0	-51.01	275.27	5.03	-45.98
CC1=CC(C)=NC2=C(C(=O)NC3=NN=N[N-]3)C=CN21	REAL250004580353	0	29	-1.0	-61.46	258.74	5.70	-55.76
CC1=CC(C)=NC2=C(C(=O)NC3=N[N-]N=N3)C=CN21	REAL250004580353	1	29	-1.0	-61.34	258.85	5.69	-55.65
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C(Cl)S1	REAL250004580354	0	25	-1.0	-42.79	249.55	3.47	-39.32
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C(Cl)S1	REAL250004580354	1	25	-1.0	-42.69	249.65	3.46	-39.23
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004580355	0	32	-1.0	-47.17	284.30	2.49	-44.68
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004580355	1	32	-1.0	-47.27	284.21	2.51	-44.76
O=C(CSCCC(F)(F)F)NC1=N[N-]N=N1	REAL250004580356	0	23	-1.0	-44.37	236.29	4.01	-40.36
O=C(CSCCC(F)(F)F)NC1=NN=N[N-]1	REAL250004580356	1	23	-1.0	-44.54	236.20	4.01	-40.53
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(=O)(=O)F	REAL250004580357	0	26	-1.0	-48.89	248.26	1.80	-47.09
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(=O)(=O)F	REAL250004580357	1	26	-1.0	-48.96	248.16	1.82	-47.14
CC1=CC=C(S(=O)(=O)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580358	0	26	-1.0	-46.74	248.91	1.70	-45.04
CC1=CC=C(S(=O)(=O)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580358	1	26	-1.0	-46.81	248.81	1.71	-45.10
CC1=CC(S(=O)(=O)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580359	0	26	-1.0	-45.28	248.88	1.70	-43.58
CC1=CC(S(=O)(=O)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580359	1	26	-1.0	-45.36	248.78	1.70	-43.66
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580360	0	37	-1.0	-53.24	305.11	4.18	-49.06
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580360	1	37	-1.0	-53.25	305.01	4.21	-49.04
CC(C)(OCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004580361	0	26	-1.0	-49.31	238.01	3.38	-45.93
CC(C)(OCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004580361	1	26	-1.0	-49.38	237.92	3.39	-45.99
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004580362	0	28	-1.0	-45.56	250.58	4.47	-41.09
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004580362	1	28	-1.0	-45.54	250.67	4.47	-41.07
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CC1=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004580364	0	28	-1.0	-56.31	251.48	4.66	-51.65
CC1=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004580364	1	28	-1.0	-56.27	251.58	4.66	-51.61
CS(=O)(=O)C1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004580365	0	29	-1.0	-54.20	256.27	0.83	-53.37
CS(=O)(=O)C1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004580365	1	29	-1.0	-54.30	256.17	0.84	-53.46
COC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004580366	0	24	-1.0	-47.09	233.10	3.07	-44.02
COC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004580366	1	24	-1.0	-47.04	233.20	3.03	-44.01
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O=C(NC1=N[N-]N=N1)C1=NNN=C1C1=CC=CC=C1	REAL250004580367	1	26	-1.0	-42.29	238.49	2.36	-39.93
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004580368	0	42	-1.0	-46.13	325.91	8.49	-37.64
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004580368	1	42	-1.0	-46.20	325.77	8.50	-37.70
COC1=CC=CC=C1C1=C(C(=O)NC2=NN=N[N-]2)C=NO1	REAL250004580370	0	30	-1.0	-44.26	270.76	4.33	-39.93
COC1=CC=CC=C1C1=C(C(=O)NC2=N[N-]N=N2)C=NO1	REAL250004580370	1	30	-1.0	-44.24	270.86	4.31	-39.93
CC1=C(C(=O)NC2=N[N-]N=N2)C(CC2=CC=CC=C2)=NO1	REAL250004580371	0	32	-1.0	-42.87	292.27	6.38	-36.49
CC1=C(C(=O)NC2=NN=N[N-]2)C(CC2=CC=CC=C2)=NO1	REAL250004580371	1	32	-1.0	-42.95	292.17	6.41	-36.54
O=C(NC1=NN=N[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL250004580372	0	28	-1.0	-45.93	249.74	3.67	-42.26
O=C(NC1=N[N-]N=N1)C1=CC=C(C2(F)COC2)C=C1	REAL250004580372	1	28	-1.0	-45.90	249.83	3.64	-42.26
CC1=C(Cl)C2=NC=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004580373	0	28	-1.0	-43.55	258.18	5.36	-38.19
CC1=C(Cl)C2=NC=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004580373	1	28	-1.0	-43.45	258.28	5.36	-38.09
O=C(NC1=N[N-]N=N1)C1CCOC2(CCOCC2)C1	REAL250004580374	0	35	-1.0	-44.62	270.16	2.36	-42.26
O=C(NC1=NN=N[N-]1)C1CCOC2(CCOCC2)C1	REAL250004580374	1	35	-1.0	-44.70	270.07	2.38	-42.32
O=C(NC1=NN=N[N-]1)C1=CC2=C(SC=C2)S1	REAL250004580375	0	20	-1.0	-42.78	216.90	4.28	-38.50
COC1=NN2C(=NN=C2CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580376	0	31	-1.0	-49.02	283.02	2.04	-46.98
COC1=NN2C(=NN=C2CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580376	1	31	-1.0	-49.09	282.92	2.05	-47.04
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL250004580377	0	30	-1.0	-50.86	264.03	5.88	-44.98
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL250004580377	1	30	-1.0	-50.83	264.14	5.87	-44.96
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Br)S1	REAL250004580378	0	20	-1.0	-41.21	217.28	4.25	-36.96
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Br)S1	REAL250004580378	1	20	-1.0	-41.12	217.38	4.24	-36.88
COC1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)OC2=C1	REAL250004580379	0	30	-1.0	-42.71	268.97	4.14	-38.57
COC1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)OC2=C1	REAL250004580379	1	30	-1.0	-42.66	269.08	4.13	-38.53
CCC(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004580380	0	35	-1.0	-46.36	285.64	7.08	-39.28
CCC(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004580380	1	35	-1.0	-46.43	285.55	7.09	-39.34
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004580381	0	25	-1.0	-45.91	234.83	3.61	-42.30
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004580381	1	25	-1.0	-45.79	234.93	3.59	-42.20
O=C(NC1=NN=N[N-]1)C1=COC2=C1NC(=O)CCC2	REAL250004580382	0	28	-1.0	-50.89	247.46	1.47	-49.42
O=C(NC1=N[N-]N=N1)C1=COC2=C1NC(=O)CCC2	REAL250004580382	1	28	-1.0	-50.79	247.56	1.44	-49.35
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL250004580383	0	34	-1.0	-59.75	295.41	7.33	-52.42
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL250004580383	1	34	-1.0	-59.73	295.51	7.31	-52.42
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004580384	0	26	-1.0	-45.89	250.65	5.57	-40.32
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004580384	1	26	-1.0	-45.96	250.56	5.59	-40.37
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL250004580385	0	25	-1.0	-47.36	241.33	4.63	-42.73
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1Cl	REAL250004580385	1	25	-1.0	-47.29	241.43	4.63	-42.66
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL250004580386	0	25	-1.0	-45.94	247.72	4.71	-41.23
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL250004580386	1	25	-1.0	-45.84	247.82	4.70	-41.14
O=C(NC1=NN=N[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL250004580387	0	25	-1.0	-51.09	230.52	4.38	-46.71
O=C(NC1=N[N-]N=N1)C1=CN=CC2=CC=C(F)C=C21	REAL250004580387	1	25	-1.0	-50.99	230.62	4.38	-46.61
COC1=C(Br)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580388	0	24	-1.0	-46.47	237.01	5.00	-41.47
COC1=C(Br)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580388	1	24	-1.0	-46.41	237.10	4.99	-41.42
CCC(=O)N1CSC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580389	0	28	-1.0	-51.90	251.04	3.87	-48.03
CCC(=O)N1CSC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580389	1	28	-1.0	-52.00	250.95	3.87	-48.13
CC(C)OC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004580390	0	30	-1.0	-49.04	268.49	5.22	-43.82
CC(C)OC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004580390	1	30	-1.0	-48.96	268.58	5.19	-43.77
O=C(CC1=CN=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004580391	0	22	-1.0	-45.10	228.32	3.29	-41.81
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CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1(C)CC1	REAL250004580392	0	40	-1.0	-40.30	316.10	3.35	-36.95
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1(C)CC1	REAL250004580392	1	40	-1.0	-40.29	316.01	3.36	-36.93
O=C(NC1=NN=N[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004580393	0	25	-1.0	-44.89	233.92	1.00	-43.89
O=C(NC1=N[N-]N=N1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004580393	1	25	-1.0	-44.79	234.02	0.99	-43.80
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004580394	0	30	-1.0	-44.19	259.92	2.93	-41.26
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004580394	1	30	-1.0	-44.13	260.01	2.92	-41.21
COC1=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004580395	0	29	-1.0	-61.95	261.12	3.49	-58.46
COC1=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004580395	1	29	-1.0	-61.89	261.22	3.48	-58.41
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004580396	0	30	-1.0	-41.71	257.96	5.56	-36.15
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004580396	1	30	-1.0	-41.79	257.87	5.57	-36.22
COCC1(CC(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004580397	0	34	-1.0	-42.05	263.34	1.80	-40.25
COCC1(CC(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004580397	1	34	-1.0	-42.16	263.24	1.81	-40.35
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004580398	0	30	-1.0	-46.72	273.98	4.19	-42.53
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004580398	1	30	-1.0	-46.68	274.08	4.19	-42.49
CC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=NN2C(C(F)F)=C1	REAL250004580399	0	28	-1.0	-54.31	266.09	4.10	-50.21
CC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=NN2C(C(F)F)=C1	REAL250004580399	1	28	-1.0	-54.24	266.20	4.09	-50.15
O=C(NC1=N[N-]N=N1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL250004580400	0	35	-1.0	-53.02	291.27	5.47	-47.55
O=C(NC1=NN=N[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL250004580400	1	35	-1.0	-53.06	291.18	5.48	-47.58
CCC(C)C(=O)N1CSC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580401	0	34	-1.0	-53.78	285.27	4.80	-48.98
CCC(C)C(=O)N1CSC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580401	1	34	-1.0	-53.86	285.18	4.81	-49.05
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL250004580402	0	23	-1.0	-43.06	225.94	3.00	-40.06
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1Cl)OCO2	REAL250004580402	1	23	-1.0	-43.00	226.04	2.99	-40.01
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C2CCCCN21	REAL250004580403	0	36	-1.0	-50.91	284.93	5.44	-45.47
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C2CCCCN21	REAL250004580403	1	36	-1.0	-50.99	284.65	5.46	-45.53
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004580404	0	32	-1.0	-42.47	264.53	5.24	-37.23
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004580404	1	32	-1.0	-42.39	264.63	5.23	-37.16
CC(C)[C@@H]1C[C@H](CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004580405	0	39	-1.0	-43.35	307.38	7.86	-35.49
CC(C)[C@@H]1C[C@H](CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004580405	1	39	-1.0	-43.43	307.29	7.87	-35.56
O=C(NC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL250004580406	0	25	-1.0	-50.01	252.82	3.49	-46.52
O=C(NC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL250004580406	1	25	-1.0	-49.96	252.92	3.49	-46.47
COC1=CC=CC2=C1CC(C(=O)NC1=N[N-]N=N1)CO2	REAL250004580407	0	32	-1.0	-45.25	270.49	3.68	-41.57
COC1=CC=CC2=C1CC(C(=O)NC1=NN=N[N-]1)CO2	REAL250004580407	1	32	-1.0	-45.33	270.39	3.70	-41.63
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004580408	0	27	-1.0	-45.69	239.33	2.92	-42.77
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004580408	1	27	-1.0	-45.65	239.42	2.91	-42.74
CC1=CC=C(N2N=C(C(=O)NC3=N[N-]N=N3)CCC2=O)C=C1	REAL250004580409	0	34	-1.0	-41.97	298.22	5.13	-36.84
CC1=CC=C(N2N=C(C(=O)NC3=NN=N[N-]3)CCC2=O)C=C1	REAL250004580409	1	34	-1.0	-42.05	298.12	5.14	-36.91
O=C(NC1=N[N-]N=N1)C1CCC2C(CC1)C2(F)F	REAL250004580410	0	30	-1.0	-42.88	246.91	5.35	-37.53
O=C(NC1=NN=N[N-]1)C1CCC2C(CC1)C2(F)F	REAL250004580410	1	30	-1.0	-43.01	246.82	5.37	-37.64
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004580411	0	30	-1.0	-42.40	259.72	4.92	-37.48
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004580411	1	30	-1.0	-42.43	259.63	4.93	-37.50
COCCOCCN1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580412	0	34	-1.0	-48.66	303.49	1.75	-46.91
COCCOCCN1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580412	1	34	-1.0	-48.57	303.59	1.73	-46.84
COCCOCCN1N=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580413	0	34	-1.0	-47.00	298.81	1.65	-45.35
COCCOCCN1N=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580413	1	34	-1.0	-46.94	298.90	1.65	-45.29
O=C(NC1=NN=N[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL250004580414	0	36	-1.0	-45.92	311.70	9.05	-36.87
O=C(NC1=N[N-]N=N1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL250004580414	1	36	-1.0	-45.85	311.80	9.03	-36.82
O=C(NC1=NN=N[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL250004580415	0	26	-1.0	-48.02	253.97	3.60	-44.42
O=C(NC1=N[N-]N=N1)C1=NN(CCC(F)(F)F)C=C1	REAL250004580415	1	26	-1.0	-47.92	254.07	3.58	-44.34
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL250004580416	0	26	-1.0	-46.12	251.59	5.59	-40.53
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL250004580416	1	26	-1.0	-46.03	251.69	5.57	-40.46
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004580417	0	26	-1.0	-44.10	249.88	4.58	-39.52
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004580417	1	26	-1.0	-44.04	249.98	4.58	-39.46
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=N[N-]N=N1	REAL250004580418	0	34	-1.0	-48.44	276.90	5.82	-42.62
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=NN=N[N-]1	REAL250004580418	1	34	-1.0	-48.50	276.81	5.83	-42.67
O=C(NC1=N[N-]N=N1)C(CC1CCCCC1)C1=CC=CC=C1	REAL250004580419	0	42	-1.0	-44.13	330.24	8.81	-35.32
O=C(NC1=NN=N[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL250004580419	1	42	-1.0	-44.26	330.14	8.82	-35.44
CC(C(=O)NC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004580420	0	32	-1.0	-46.04	274.70	6.54	-39.50
CC(C(=O)NC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004580420	1	32	-1.0	-46.14	274.61	6.57	-39.57
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL250004580421	0	33	-1.0	-44.88	278.48	7.33	-37.55
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2CCC2)C=C1	REAL250004580421	1	33	-1.0	-44.78	278.57	7.31	-37.47
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL250004580422	0	24	-1.0	-43.46	239.60	3.69	-39.77
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL250004580422	1	24	-1.0	-43.39	239.70	3.67	-39.72
CN(C)C1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2O1	REAL250004580423	0	30	-1.0	-47.11	266.58	2.39	-44.72
CN(C)C1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2O1	REAL250004580423	1	30	-1.0	-47.03	266.68	2.39	-44.64
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL250004580424	0	23	-1.0	-39.93	232.74	4.62	-35.31
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL250004580424	1	23	-1.0	-39.95	232.65	4.64	-35.31
CC1=C(Br)C(C(=O)NC2=N[N-]N=N2)=NN1C	REAL250004580425	0	23	-1.0	-48.48	231.00	2.67	-45.81
CC1=C(Br)C(C(=O)NC2=NN=N[N-]2)=NN1C	REAL250004580425	1	23	-1.0	-48.52	230.90	2.67	-45.85
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL250004580426	0	23	-1.0	-46.63	233.23	4.86	-41.77
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL250004580426	1	23	-1.0	-46.52	233.33	4.86	-41.66
CC(=O)NCC1(CC(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004580427	0	39	-1.0	-53.13	295.84	3.56	-49.57
CC(=O)NCC1(CC(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004580427	1	39	-1.0	-53.23	295.76	3.57	-49.66
CC1(C)CC(C(=O)NC2=N[N-]N=N2)CC(C)(C)O1	REAL250004580428	0	36	-1.0	-42.40	279.33	4.29	-38.11
CC1(C)CC(C(=O)NC2=NN=N[N-]2)CC(C)(C)O1	REAL250004580428	1	36	-1.0	-42.51	279.24	4.31	-38.20
O=C(NC1=NN=N[N-]1)C1=CC=NC(Br)=C1F	REAL250004580429	0	19	-1.0	-45.45	208.01	2.62	-42.83
O=C(NC1=N[N-]N=N1)C1=CC=NC(Br)=C1F	REAL250004580429	1	19	-1.0	-45.42	208.10	2.60	-42.82
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004580430	0	26	-1.0	-41.99	247.69	1.74	-40.25
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004580430	1	26	-1.0	-42.04	247.60	1.74	-40.30
CS(C)(=O)=NC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004580431	0	26	-1.0	-64.06	257.97	0.10	-63.96
CS(C)(=O)=NC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004580431	1	26	-1.0	-64.12	257.88	0.10	-64.02
CC(C)CC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004580432	0	39	-1.0	-58.92	302.77	6.01	-52.91
CC(C)CC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004580432	1	39	-1.0	-58.99	302.68	6.03	-52.96
O=C(NC1=N[N-]N=N1)C12CCC(CC(=O)C1)S2(=O)=O	REAL250004580433	0	29	-1.0	-54.37	252.85	0.52	-53.85
O=C(NC1=NN=N[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL250004580433	1	29	-1.0	-54.39	252.75	0.53	-53.86
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCOCC1	REAL250004580434	0	35	-1.0	-47.23	267.22	2.61	-44.62
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCOCC1	REAL250004580434	1	35	-1.0	-47.28	267.13	2.64	-44.64
O=C(NC1=N[N-]N=N1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004580435	0	37	-1.0	-45.30	284.77	7.51	-37.79
O=C(NC1=NN=N[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004580435	1	37	-1.0	-45.38	284.66	7.53	-37.85
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=N[N-]N=N1	REAL250004580436	0	30	-1.0	-49.18	270.15	3.67	-45.51
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=NN=N[N-]1	REAL250004580436	1	30	-1.0	-49.25	270.06	3.68	-45.57
CCC1=NC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580437	0	24	-1.0	-40.86	235.81	2.96	-37.90
CCC1=NC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580437	1	24	-1.0	-40.90	235.72	2.96	-37.94
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL250004580438	0	27	-1.0	-51.53	263.18	6.17	-45.36
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL250004580438	1	27	-1.0	-51.59	263.09	6.17	-45.42
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCCC1	REAL250004580439	0	34	-1.0	-41.58	260.69	4.30	-37.28
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCCC1	REAL250004580439	1	34	-1.0	-41.65	260.60	4.32	-37.33
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC=CCO1	REAL250004580440	0	25	-1.0	-38.67	228.97	2.91	-35.76
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC=CCO1	REAL250004580440	1	25	-1.0	-38.72	228.87	2.92	-35.80
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004580441	0	41	-1.0	-42.83	325.10	8.07	-34.76
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004580441	1	41	-1.0	-42.86	325.00	8.10	-34.76
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC12CCOC2	REAL250004580442	0	32	-1.0	-51.83	253.68	-0.36	-52.19
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC12CCOC2	REAL250004580442	1	32	-1.0	-51.93	253.59	-0.34	-52.27
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCCC2=C1	REAL250004580443	0	28	-1.0	-44.44	249.99	5.99	-38.45
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCCC2=C1	REAL250004580443	1	28	-1.0	-44.39	250.09	5.99	-38.40
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCCCC2=C1	REAL250004580444	0	31	-1.0	-43.56	266.93	6.61	-36.95
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCCCC2=C1	REAL250004580444	1	31	-1.0	-43.49	267.09	6.60	-36.89
COC(=O)CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580445	0	32	-1.0	-47.97	285.75	6.05	-41.92
COC(=O)CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580445	1	32	-1.0	-47.93	285.85	6.04	-41.89
CC(C)=CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004580446	0	33	-1.0	-42.40	287.79	7.27	-35.13
CC(C)=CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004580446	1	33	-1.0	-42.34	287.89	7.24	-35.10
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004580447	0	27	-1.0	-45.63	254.15	3.36	-42.27
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004580447	1	27	-1.0	-45.62	254.24	3.35	-42.27
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004580448	0	28	-1.0	-49.44	253.24	4.84	-44.60
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004580448	1	28	-1.0	-49.36	253.33	4.82	-44.54
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004580449	0	31	-1.0	-39.11	252.04	1.93	-37.18
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004580449	1	31	-1.0	-39.17	252.01	1.95	-37.22
CC(C)(C)C1=NN(CC(=O)NC2=N[N-]N=N2)N=N1	REAL250004580450	0	30	-1.0	-50.01	266.20	2.11	-47.90
CC(C)(C)C1=NN(CC(=O)NC2=NN=N[N-]2)N=N1	REAL250004580450	1	30	-1.0	-50.08	266.11	2.12	-47.96
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004580451	0	25	-1.0	-40.50	246.70	5.42	-35.08
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004580451	1	25	-1.0	-40.43	246.80	5.40	-35.03
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL250004580452	0	31	-1.0	-43.49	282.08	6.88	-36.61
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC1CC1	REAL250004580452	1	31	-1.0	-43.42	282.16	6.87	-36.55
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL250004580453	0	30	-1.0	-45.85	278.23	7.74	-38.11
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL250004580453	1	30	-1.0	-45.82	278.33	7.73	-38.09
O=C(NC1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL250004580454	0	24	-1.0	-52.13	235.87	3.33	-48.80
O=C(NC1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL250004580454	1	24	-1.0	-52.07	235.97	3.31	-48.76
COC1=NC=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004580455	0	23	-1.0	-47.79	238.16	0.96	-46.83
COC1=NC=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004580455	1	23	-1.0	-47.75	238.25	0.95	-46.80
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CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004580457	0	26	-1.0	-44.37	246.36	5.66	-38.71
CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004580457	1	26	-1.0	-44.34	246.46	5.65	-38.69
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O=C(NC1=N[N-]N=N1)C1=COC2=CC(F)=CC(F)=C12	REAL250004580458	1	23	-1.0	-49.04	226.00	4.26	-44.78
N#CC1=C2N=CC(C(=O)NC3=NN=N[N-]3)=CN2N=C1	REAL250004580459	0	23	-1.0	-43.01	231.00	3.18	-39.83
N#CC1=C2N=CC(C(=O)NC3=N[N-]N=N3)=CN2N=C1	REAL250004580459	1	23	-1.0	-42.93	231.10	3.18	-39.75
O=C(NC1=NN=N[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL250004580460	0	30	-1.0	-46.44	272.21	3.95	-42.49
O=C(NC1=N[N-]N=N1)C1=NC=C(OCC2CC2)C=C1F	REAL250004580460	1	30	-1.0	-46.40	272.31	3.94	-42.46
COC1=CC=CC=C1N1C=NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580461	0	31	-1.0	-49.10	280.10	5.61	-43.49
COC1=CC=CC=C1N1C=NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580461	1	31	-1.0	-49.04	280.21	5.59	-43.45
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)N=C1	REAL250004580462	0	32	-1.0	-41.37	273.15	2.50	-38.87
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL250004580462	1	32	-1.0	-41.50	273.05	2.52	-38.98
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Br)=C1C	REAL250004580463	0	26	-1.0	-43.01	243.83	5.52	-37.49
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Br)=C1C	REAL250004580463	1	26	-1.0	-42.95	243.92	5.51	-37.44
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL250004580464	0	38	-1.0	-44.55	300.96	5.67	-38.88
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL250004580464	1	38	-1.0	-44.50	301.06	5.67	-38.83
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004580465	0	25	-1.0	-50.38	247.14	4.46	-45.92
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004580465	1	25	-1.0	-50.30	247.24	4.45	-45.85
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580466	0	31	-1.0	-43.73	266.06	2.79	-40.94
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580466	1	31	-1.0	-43.74	265.97	2.80	-40.94
COC1=CC=C(C(C)C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004580467	0	30	-1.0	-49.83	263.77	4.39	-45.44
COC1=CC=C(C(C)C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004580467	1	30	-1.0	-49.93	263.68	4.41	-45.52
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004580468	0	26	-1.0	-42.82	254.00	2.34	-40.48
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004580468	1	26	-1.0	-42.77	254.10	2.33	-40.44
O=C(COCC1=NC(C2CC2)=NO1)NC1=N[N-]N=N1	REAL250004580469	0	29	-1.0	-54.12	269.59	1.93	-52.19
O=C(COCC1=NC(C2CC2)=NO1)NC1=NN=N[N-]1	REAL250004580469	1	29	-1.0	-54.17	269.49	1.94	-52.23
CN1CCC2=CC(CC(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004580470	0	32	-1.0	-46.76	272.91	4.31	-42.45
CN1CCC2=CC(CC(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004580470	1	32	-1.0	-46.86	272.82	4.33	-42.53
O=C(CN1C=NC(Br)=C1)NC1=N[N-]N=N1	REAL250004580471	0	20	-1.0	-49.03	214.70	4.04	-44.99
O=C(CN1C=NC(Br)=C1)NC1=NN=N[N-]1	REAL250004580471	1	20	-1.0	-49.14	214.61	4.05	-45.09
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CN=C2)=NO1	REAL250004580472	0	25	-1.0	-40.41	241.08	3.03	-37.38
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CN=C2)=NO1	REAL250004580472	1	25	-1.0	-40.32	241.18	3.01	-37.31
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=N[N-]N=N1	REAL250004580473	0	29	-1.0	-41.85	255.86	5.85	-36.00
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=NN=N[N-]1	REAL250004580473	1	29	-1.0	-41.95	255.77	5.86	-36.09
CCOCC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004580474	0	26	-1.0	-46.52	252.21	1.53	-44.99
CCOCC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004580474	1	26	-1.0	-46.60	252.11	1.54	-45.06
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004580475	0	30	-1.0	-46.78	260.68	0.90	-45.88
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004580475	1	30	-1.0	-46.87	260.57	0.92	-45.95
N#CCCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580476	0	34	-1.0	-51.61	305.86	6.01	-45.60
N#CCCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580476	1	34	-1.0	-51.68	305.76	6.03	-45.65
O=C(NC1=N[N-]N=N1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL250004580477	0	30	-1.0	-44.28	267.52	6.87	-37.41
O=C(NC1=NN=N[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL250004580477	1	30	-1.0	-44.32	267.43	6.89	-37.43
O=C(NC1=N[N-]N=N1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004580478	0	30	-1.0	-45.39	257.20	6.43	-38.96
O=C(NC1=NN=N[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004580478	1	30	-1.0	-45.43	257.10	6.45	-38.98
O=C(CC1(N2C=NN=N2)CCSCC1)NC1=NN=N[N-]1	REAL250004580479	0	32	-1.0	-60.64	265.90	4.37	-56.27
O=C(CC1(N2C=NN=N2)CCSCC1)NC1=N[N-]N=N1	REAL250004580479	1	32	-1.0	-60.54	265.99	4.36	-56.18
NC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004580480	0	24	-1.0	-46.14	234.38	1.10	-45.04
NC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004580480	1	24	-1.0	-46.07	234.48	1.09	-44.98
O=C(C=CC1=NC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004580481	0	28	-1.0	-46.40	260.83	3.70	-42.70
O=C(C=CC1=NC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004580481	1	28	-1.0	-46.50	260.73	3.71	-42.79
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004580482	0	33	-1.0	-49.97	294.34	3.95	-46.02
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004580482	1	33	-1.0	-50.07	294.24	3.95	-46.12
CN1C=C(C=CC(=O)NC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004580483	0	30	-1.0	-54.21	268.32	3.35	-50.86
CN1C=C(C=CC(=O)NC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004580483	1	30	-1.0	-54.25	268.21	3.36	-50.89
COC1=NC=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004580484	0	23	-1.0	-44.89	230.39	1.18	-43.71
COC1=NC=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004580484	1	23	-1.0	-44.86	230.49	1.17	-43.69
COC1=NSC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004580485	0	24	-1.0	-42.70	241.27	0.99	-41.71
COC1=NSC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004580485	1	24	-1.0	-42.78	241.17	1.00	-41.78
CC(C)CC1=NN=C2C(C(=O)NC3=NN=N[N-]3)=CC=CN12	REAL250004580486	0	34	-1.0	-58.81	290.99	7.10	-51.71
CC(C)CC1=NN=C2C(C(=O)NC3=N[N-]N=N3)=CC=CN12	REAL250004580486	1	34	-1.0	-58.68	291.09	7.08	-51.60
O=C(NC1=N[N-]N=N1)C1=CSC(CC(F)(F)F)=N1	REAL250004580487	0	22	-1.0	-46.59	237.18	2.66	-43.93
O=C(NC1=NN=N[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL250004580487	1	22	-1.0	-46.66	237.08	2.67	-43.99
CC(C)(C)OC1CC(CC(=O)NC2=N[N-]N=N2)C12CCC2	REAL250004580488	0	43	-1.0	-47.56	336.16	6.45	-41.11
CC(C)(C)OC1CC(CC(=O)NC2=NN=N[N-]2)C12CCC2	REAL250004580488	1	43	-1.0	-47.62	336.06	6.46	-41.16
O=C(NC1=NN=N[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL250004580489	0	23	-1.0	-45.15	228.91	4.27	-40.88
O=C(NC1=N[N-]N=N1)C1=COC2=C(F)C=C(F)C=C12	REAL250004580489	1	23	-1.0	-45.06	229.02	4.26	-40.80
CCC1=CC=CC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C21	REAL250004580490	0	31	-1.0	-47.14	272.59	5.82	-41.32
CCC1=CC=CC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C21	REAL250004580490	1	31	-1.0	-47.04	272.68	5.81	-41.23
O=C(NC1=NN=N[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL250004580491	0	30	-1.0	-44.49	274.68	6.70	-37.79
O=C(NC1=N[N-]N=N1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL250004580491	1	30	-1.0	-44.45	274.78	6.69	-37.76
CC1(C(=O)NC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL250004580492	0	29	-1.0	-50.86	241.95	0.39	-50.47
CC1(C(=O)NC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL250004580492	1	29	-1.0	-50.92	241.86	0.41	-50.51
CC(F)(F)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580493	0	26	-1.0	-54.70	229.54	5.28	-49.42
CC(F)(F)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580493	1	26	-1.0	-54.63	229.64	5.27	-49.36
CC1(C(=O)NC2=N[N-]N=N2)CC2=CC=CC=C2NC1=O	REAL250004580494	0	31	-1.0	-43.24	265.33	3.30	-39.94
CC1(C(=O)NC2=NN=N[N-]2)CC2=CC=CC=C2NC1=O	REAL250004580494	1	31	-1.0	-43.27	265.24	3.31	-39.96
CC1(C)CC(C(=O)NC2=N[N-]N=N2)C1C(F)(F)F	REAL250004580495	0	29	-1.0	-48.34	235.74	5.21	-43.13
CC1(C)CC(C(=O)NC2=NN=N[N-]2)C1C(F)(F)F	REAL250004580495	1	29	-1.0	-48.42	235.63	5.21	-43.21
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL250004580496	0	36	-1.0	-50.63	294.98	7.44	-43.19
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL250004580496	1	36	-1.0	-50.69	294.88	7.46	-43.23
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL250004580497	0	28	-1.0	-46.69	246.96	2.27	-44.42
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCNC2=O	REAL250004580497	1	28	-1.0	-46.65	247.05	2.25	-44.40
CC(C)N1CC(C(=O)NC2=N[N-]N=N2)CCC1=O	REAL250004580498	0	33	-1.0	-42.97	264.67	3.55	-39.42
CC(C)N1CC(C(=O)NC2=NN=N[N-]2)CCC1=O	REAL250004580498	1	33	-1.0	-43.02	264.58	3.57	-39.45
CCOC(=O)C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004580499	0	25	-1.0	-47.21	253.80	2.51	-44.70
CCOC(=O)C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004580499	1	25	-1.0	-47.18	253.90	2.51	-44.67
C[C@@H](CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004580500	0	32	-1.0	-42.95	285.72	6.72	-36.23
C[C@@H](CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004580500	1	32	-1.0	-43.04	285.63	6.73	-36.31
C[C@@H](CC(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004580501	0	32	-1.0	-45.96	273.02	4.37	-41.59
C[C@@H](CC(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004580501	1	32	-1.0	-46.05	272.92	4.38	-41.67
O=C(CC1CCCC2(CCC2)O1)NC1=N[N-]N=N1	REAL250004580502	0	34	-1.0	-48.94	271.00	5.19	-43.75
O=C(CC1CCCC2(CCC2)O1)NC1=NN=N[N-]1	REAL250004580502	1	34	-1.0	-49.01	270.91	5.20	-43.81
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCCCO1	REAL250004580503	0	27	-1.0	-39.85	236.22	2.87	-36.98
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCCCO1	REAL250004580503	1	27	-1.0	-39.93	236.12	2.89	-37.04
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004580504	0	31	-1.0	-43.74	271.56	4.79	-38.95
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004580504	1	31	-1.0	-43.79	271.47	4.80	-38.99
O=C(NC1=N[N-]N=N1)C1=CON=C1C1CCCO1	REAL250004580505	0	27	-1.0	-45.61	241.37	2.07	-43.54
O=C(NC1=NN=N[N-]1)C1=CON=C1C1CCCO1	REAL250004580505	1	27	-1.0	-45.66	241.27	2.08	-43.58
CC1=C(Br)C=NN1CC(=O)NC1=N[N-]N=N1	REAL250004580506	0	23	-1.0	-47.34	234.75	2.95	-44.39
CC1=C(Br)C=NN1CC(=O)NC1=NN=N[N-]1	REAL250004580506	1	23	-1.0	-47.44	234.66	2.96	-44.48
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC12CCC2	REAL250004580507	0	31	-1.0	-51.13	250.12	1.73	-49.40
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC12CCC2	REAL250004580507	1	31	-1.0	-51.21	250.03	1.74	-49.47
O=C(CC1COCCN1CC(F)(F)F)NC1=N[N-]N=N1	REAL250004580508	0	32	-1.0	-43.78	270.62	0.99	-42.79
O=C(CC1COCCN1CC(F)(F)F)NC1=NN=N[N-]1	REAL250004580508	1	32	-1.0	-43.85	270.53	1.00	-42.85
O=C(CN1C=C(C2CCOC2)C=N1)NC1=N[N-]N=N1	REAL250004580509	0	31	-1.0	-51.62	269.34	2.60	-49.02
O=C(CN1C=C(C2CCOC2)C=N1)NC1=NN=N[N-]1	REAL250004580509	1	31	-1.0	-51.71	269.24	2.61	-49.10
CCC1=CC2=C(OCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580510	0	31	-1.0	-51.58	265.23	5.97	-45.61
CCC1=CC2=C(OCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580510	1	31	-1.0	-51.48	265.33	5.97	-45.51
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CS1	REAL250004580511	0	20	-1.0	-42.87	219.42	3.84	-39.03
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CS1	REAL250004580511	1	20	-1.0	-42.77	219.52	3.83	-38.94
CC(F)(F)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580512	0	26	-1.0	-46.40	240.61	5.33	-41.07
CC(F)(F)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580512	1	26	-1.0	-46.29	240.71	5.31	-40.98
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL250004580513	0	31	-1.0	-47.63	270.41	5.61	-42.02
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC2CC2)=C1	REAL250004580513	1	31	-1.0	-47.57	270.51	5.59	-41.98
CSC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004580514	0	24	-1.0	-45.27	239.97	5.33	-39.94
CSC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004580514	1	24	-1.0	-45.23	240.06	5.33	-39.90
O=C(NC1=NN=N[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL250004580515	0	25	-1.0	-49.85	251.81	4.22	-45.63
O=C(NC1=N[N-]N=N1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL250004580515	1	25	-1.0	-49.80	251.90	4.22	-45.58
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004580516	0	42	-1.0	-51.23	320.81	4.02	-47.21
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004580516	1	42	-1.0	-51.25	320.72	4.06	-47.19
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL250004580517	0	30	-1.0	-52.56	272.80	2.75	-49.81
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL250004580517	1	30	-1.0	-52.48	272.90	2.75	-49.73
CC1=NC=C2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004580518	0	31	-1.0	-43.95	263.37	4.10	-39.85
CC1=NC=C2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004580518	1	31	-1.0	-44.03	263.27	4.12	-39.91
CC1=C(CC(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004580519	0	26	-1.0	-46.49	253.40	4.26	-42.23
CC1=C(CC(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004580519	1	26	-1.0	-46.57	253.31	4.28	-42.29
CCC1=NC=C2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004580520	0	34	-1.0	-43.93	284.69	4.70	-39.23
CCC1=NC=C2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004580520	1	34	-1.0	-44.01	284.60	4.71	-39.30
CC1=CN(CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)N=C1	REAL250004580521	0	33	-1.0	-50.17	293.06	6.14	-44.03
CC1=CN(CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)N=C1	REAL250004580521	1	33	-1.0	-50.09	293.16	6.12	-43.97
O=C(NC1=N[N-]N=N1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004580522	0	34	-1.0	-46.00	267.29	5.82	-40.18
O=C(NC1=NN=N[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004580522	1	34	-1.0	-46.13	267.14	5.81	-40.32
O=C(NC1=N[N-]N=N1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004580523	0	34	-1.0	-47.90	276.23	6.47	-41.43
O=C(NC1=NN=N[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004580523	1	34	-1.0	-47.92	276.14	6.49	-41.43
CN1C=CC(C23CC(CC2)C3C(=O)NC2=NN=N[N-]2)=N1	REAL250004580524	0	34	-1.0	-53.90	280.13	5.36	-48.54
CN1C=CC(C23CC(CC2)C3C(=O)NC2=N[N-]N=N2)=N1	REAL250004580524	1	34	-1.0	-53.83	280.22	5.35	-48.48
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580525	0	26	-1.0	-44.25	250.57	3.58	-40.67
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580525	1	26	-1.0	-44.20	250.66	3.57	-40.63
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=N[N-]N=N1	REAL250004580526	0	29	-1.0	-44.09	260.90	5.87	-38.22
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=NN=N[N-]1	REAL250004580526	1	29	-1.0	-44.20	260.81	5.88	-38.32
O=C(COC1=CC=CC=C1C(F)F)NC1=N[N-]N=N1	REAL250004580527	0	27	-1.0	-54.27	253.64	5.28	-48.99
O=C(COC1=CC=CC=C1C(F)F)NC1=NN=N[N-]1	REAL250004580527	1	27	-1.0	-54.32	253.55	5.29	-49.03
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004580528	0	27	-1.0	-50.40	247.25	6.00	-44.40
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004580528	1	27	-1.0	-50.31	247.35	5.99	-44.32
CCOC1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=NC=C1	REAL250004580529	0	29	-1.0	-47.09	272.73	3.59	-43.50
CCOC1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=NC=C1	REAL250004580529	1	29	-1.0	-47.00	272.84	3.58	-43.42
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004580530	0	35	-1.0	-40.57	289.63	3.15	-37.42
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004580530	1	35	-1.0	-40.65	289.53	3.16	-37.49
O=C(NC1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL250004580531	0	28	-1.0	-44.96	232.49	4.95	-40.01
O=C(NC1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL250004580531	1	28	-1.0	-45.05	232.39	4.96	-40.09
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL250004580532	0	30	-1.0	-44.89	259.93	4.57	-40.32
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL250004580532	1	30	-1.0	-44.80	260.03	4.56	-40.24
O=C(NC1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL250004580533	0	35	-1.0	-44.60	267.11	2.76	-41.84
O=C(NC1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL250004580533	1	35	-1.0	-44.67	267.01	2.78	-41.89
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=N[N-]N=N1	REAL250004580534	0	23	-1.0	-44.41	242.12	4.92	-39.49
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=NN=N[N-]1	REAL250004580534	1	23	-1.0	-44.47	242.01	4.92	-39.55
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004580535	0	31	-1.0	-46.30	269.11	6.41	-39.89
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004580535	1	31	-1.0	-46.35	269.02	6.42	-39.93
O=C(NC1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004580536	0	26	-1.0	-54.73	248.70	-3.08	-57.81
O=C(NC1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004580536	1	26	-1.0	-54.74	248.81	-3.08	-57.82
CC1=NN(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580537	0	30	-1.0	-57.92	265.58	5.84	-52.08
CC1=NN(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580537	1	30	-1.0	-57.94	265.79	5.82	-52.12
O=C(NC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL250004580538	0	30	-1.0	-45.18	269.94	6.43	-38.75
O=C(NC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL250004580538	1	30	-1.0	-45.22	269.86	6.44	-38.78
CC1=C(C(=O)NC2=NN=N[N-]2)C(C)=C(Br)O1	REAL250004580539	0	23	-1.0	-41.06	236.57	3.89	-37.17
CC1=C(C(=O)NC2=N[N-]N=N2)C(C)=C(Br)O1	REAL250004580539	1	23	-1.0	-40.99	236.67	3.89	-37.10
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=NN=N[N-]1	REAL250004580540	0	34	-1.0	-48.39	274.84	4.76	-43.63
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=N[N-]N=N1	REAL250004580540	1	34	-1.0	-48.34	274.94	4.74	-43.60
CC12CC(C(=O)NC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL250004580541	0	36	-1.0	-45.13	281.13	2.52	-42.61
CC12CC(C(=O)NC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL250004580541	1	36	-1.0	-45.22	281.04	2.53	-42.69
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL250004580542	0	28	-1.0	-48.55	249.13	1.14	-47.41
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL250004580542	1	28	-1.0	-48.49	249.23	1.13	-47.36
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580543	0	38	-1.0	-47.45	307.86	6.58	-40.87
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580543	1	38	-1.0	-47.52	307.76	6.59	-40.93
O=C(NC1=N[N-]N=N1)C1(C2CCOCC2)CCOCC1	REAL250004580544	0	38	-1.0	-50.01	277.30	2.87	-47.14
O=C(NC1=NN=N[N-]1)C1(C2CCOCC2)CCOCC1	REAL250004580544	1	38	-1.0	-50.05	277.21	2.88	-47.17
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL250004580545	0	27	-1.0	-49.48	243.99	6.02	-43.46
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL250004580545	1	27	-1.0	-49.39	244.08	6.01	-43.38
CCC1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004580546	0	26	-1.0	-40.40	253.12	3.25	-37.15
CCC1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004580546	1	26	-1.0	-40.50	253.02	3.25	-37.25
O=C(CSC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004580547	0	24	-1.0	-45.44	237.08	5.02	-40.42
O=C(CSC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004580547	1	24	-1.0	-45.52	236.99	5.02	-40.50
O=C(NC1=N[N-]N=N1)C1CCC(=O)N1CCC(F)(F)F	REAL250004580548	0	30	-1.0	-49.68	274.39	3.56	-46.12
O=C(NC1=NN=N[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL250004580548	1	30	-1.0	-49.68	274.29	3.57	-46.11
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL250004580549	0	27	-1.0	-52.84	242.68	1.87	-50.97
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL250004580549	1	27	-1.0	-52.85	242.59	1.90	-50.95
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004580550	0	31	-1.0	-40.65	273.10	4.35	-36.30
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004580550	1	31	-1.0	-40.70	273.00	4.36	-36.34
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004580551	0	29	-1.0	-46.87	276.63	4.99	-41.88
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004580551	1	29	-1.0	-46.82	276.73	4.97	-41.85
CCC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004580552	0	26	-1.0	-46.95	256.37	4.38	-42.57
CCC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004580552	1	26	-1.0	-46.89	256.47	4.37	-42.52
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL250004580553	0	34	-1.0	-48.14	287.69	5.88	-42.26
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL250004580553	1	34	-1.0	-48.17	287.60	5.89	-42.28
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004580554	0	38	-1.0	-43.40	298.84	6.16	-37.24
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004580554	1	38	-1.0	-43.42	298.74	6.17	-37.25
O=C(NC1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL250004580555	0	26	-1.0	-45.42	239.68	3.90	-41.52
O=C(NC1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL250004580555	1	26	-1.0	-45.45	239.58	3.92	-41.53
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NC2=N[N-]N=N2)CC(=O)N1C	REAL250004580556	0	34	-1.0	-47.85	294.71	3.42	-44.43
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NC2=NN=N[N-]2)CC(=O)N1C	REAL250004580556	1	34	-1.0	-47.94	294.62	3.43	-44.51
O=C(CSC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004580557	0	24	-1.0	-44.84	247.40	5.46	-39.38
O=C(CSC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004580557	1	24	-1.0	-44.94	247.31	5.46	-39.48
COCC1=CN=C(OC)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580558	0	30	-1.0	-48.79	267.54	1.42	-47.37
COCC1=CN=C(OC)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580558	1	30	-1.0	-48.70	267.63	1.42	-47.28
COC1=CC=C(C(C)=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580559	0	31	-1.0	-43.68	271.34	5.10	-38.58
COC1=CC=C(C(C)=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580559	1	31	-1.0	-43.72	271.24	5.10	-38.62
CC1(C)OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2O1	REAL250004580560	0	29	-1.0	-45.63	255.53	4.09	-41.54
CC1(C)OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2O1	REAL250004580560	1	29	-1.0	-45.50	255.63	4.09	-41.41
COC1=CC=C(C(CC(=O)NC2=N[N-]N=N2)C(F)F)C=C1	REAL250004580561	0	33	-1.0	-42.79	285.43	5.14	-37.65
COC1=CC=C(C(CC(=O)NC2=NN=N[N-]2)C(F)F)C=C1	REAL250004580561	1	33	-1.0	-42.87	285.34	5.14	-37.73
COC1=CC2=C(OCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580562	0	29	-1.0	-50.11	251.83	3.83	-46.28
COC1=CC2=C(OCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580562	1	29	-1.0	-50.09	251.93	3.83	-46.26
O=C(NC1=NN=N[N-]1)C1=C2OC=CC2=CC=C1Cl	REAL250004580563	0	23	-1.0	-50.70	234.61	4.46	-46.24
O=C(NC1=N[N-]N=N1)C1=C2OC=CC2=CC=C1Cl	REAL250004580563	1	23	-1.0	-50.63	234.71	4.45	-46.18
CC1=CSC2=C(C(=O)NC3=NN=N[N-]3)N=CN=C12	REAL250004580564	0	24	-1.0	-42.86	236.01	3.82	-39.04
CC1=CSC2=C(C(=O)NC3=N[N-]N=N3)N=CN=C12	REAL250004580564	1	24	-1.0	-42.81	236.11	3.82	-38.99
O=C(NC1=N[N-]N=N1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL250004580565	0	34	-1.0	-45.57	290.15	4.05	-41.52
O=C(NC1=NN=N[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL250004580565	1	34	-1.0	-45.62	290.06	4.07	-41.55
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004580566	0	27	-1.0	-44.49	247.62	5.70	-38.79
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004580566	1	27	-1.0	-44.56	247.52	5.70	-38.86
COC(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004580567	0	29	-1.0	-48.30	266.14	4.76	-43.54
COC(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004580567	1	29	-1.0	-48.25	266.24	4.76	-43.49
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CSC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004580588	1	27	-1.0	-42.96	268.51	5.98	-36.98
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CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004580606	1	40	-1.0	-45.52	324.38	3.04	-42.48
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CCC1=C(C(=O)NC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004580608	1	34	-1.0	-46.82	291.69	6.50	-40.32
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=NN=N[N-]1	REAL250004580609	0	29	-1.0	-48.26	253.94	5.52	-42.74
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CCOC(=O)C12CC(C(=O)NC3=N[N-]N=N3)(C1)OC2	REAL250004580610	0	31	-1.0	-43.42	274.15	2.93	-40.49
CCOC(=O)C12CC(C(=O)NC3=NN=N[N-]3)(C1)OC2	REAL250004580610	1	31	-1.0	-43.48	274.05	2.95	-40.53
CC1(C)CC(CC(=O)NC2=N[N-]N=N2)CC(C)(C)O1	REAL250004580611	0	39	-1.0	-44.00	297.94	5.00	-39.00
CC1(C)CC(CC(=O)NC2=NN=N[N-]2)CC(C)(C)O1	REAL250004580611	1	39	-1.0	-44.10	297.85	5.01	-39.09
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CN1N=C(C(=O)NC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004580615	0	26	-1.0	-50.99	245.38	3.85	-47.14
CN1N=C(C(=O)NC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004580615	1	26	-1.0	-50.91	245.49	3.84	-47.07
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CN1C=C(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004580618	0	26	-1.0	-42.21	250.80	2.66	-39.55
CN1C=C(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004580618	1	26	-1.0	-42.17	250.90	2.65	-39.52
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CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004580623	0	33	-1.0	-47.06	284.79	7.95	-39.11
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004580623	1	33	-1.0	-47.00	284.89	7.93	-39.07
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580624	0	33	-1.0	-45.37	277.60	7.90	-37.47
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580624	1	33	-1.0	-45.32	277.69	7.89	-37.43
COC1=CC(OC)=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580625	0	28	-1.0	-47.68	258.14	2.98	-44.70
COC1=CC(OC)=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580625	1	28	-1.0	-47.63	258.23	2.95	-44.68
O=C(NC1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL250004580626	0	26	-1.0	-47.20	234.65	3.83	-43.37
O=C(NC1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL250004580626	1	26	-1.0	-47.27	234.56	3.85	-43.42
O=C(NC1=N[N-]N=N1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004580627	0	35	-1.0	-44.64	277.54	7.64	-37.00
O=C(NC1=NN=N[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004580627	1	35	-1.0	-44.75	277.43	7.66	-37.09
CC1(C)CCC(F)(F)CC1C(=O)NC1=N[N-]N=N1	REAL250004580628	0	32	-1.0	-41.19	249.10	4.97	-36.22
CC1(C)CCC(F)(F)CC1C(=O)NC1=NN=N[N-]1	REAL250004580628	1	32	-1.0	-41.30	249.00	4.99	-36.31
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004580629	0	32	-1.0	-46.81	287.46	6.51	-40.30
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004580629	1	32	-1.0	-46.73	287.55	6.51	-40.22
O=C(NC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL250004580630	0	19	-1.0	-38.18	215.87	2.12	-36.06
O=C(NC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL250004580630	1	19	-1.0	-38.14	215.97	2.11	-36.03
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=N[N-]N=N1	REAL250004580631	0	29	-1.0	-42.68	262.95	5.84	-36.84
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=NN=N[N-]1	REAL250004580631	1	29	-1.0	-42.74	262.87	5.85	-36.89
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C(=O)C1	REAL250004580632	0	30	-1.0	-46.04	267.24	3.34	-42.70
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL250004580632	1	30	-1.0	-46.14	267.15	3.35	-42.79
O=C(NC1=N[N-]N=N1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004580633	0	33	-1.0	-43.52	255.33	4.78	-38.74
O=C(NC1=NN=N[N-]1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004580633	1	33	-1.0	-43.57	255.24	4.81	-38.76
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1C2	REAL250004580634	0	30	-1.0	-42.85	245.07	5.07	-37.78
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL250004580634	1	30	-1.0	-42.95	244.97	5.09	-37.86
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL250004580635	0	26	-1.0	-46.05	238.20	5.53	-40.52
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CC(F)(F)F	REAL250004580635	1	26	-1.0	-45.96	238.29	5.52	-40.44
O=C(NC1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL250004580636	0	25	-1.0	-46.03	240.02	2.16	-43.87
O=C(NC1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL250004580636	1	25	-1.0	-46.00	240.12	2.14	-43.86
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004580637	0	26	-1.0	-37.68	242.14	5.02	-32.66
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004580637	1	26	-1.0	-37.73	242.04	5.04	-32.69
O=C(NC1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL250004580638	0	26	-1.0	-42.82	246.20	3.39	-39.43
O=C(NC1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL250004580638	1	26	-1.0	-42.76	246.30	3.36	-39.40
O=C(NC1=N[N-]N=N1)C1=C(CN2CCOCC2)C=CO1	REAL250004580639	0	33	-1.0	-45.86	280.01	0.98	-44.88
O=C(NC1=NN=N[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL250004580639	1	33	-1.0	-45.92	279.91	1.00	-44.92
O=C(CC1CCS(=O)(=O)CC1)NC1=N[N-]N=N1	REAL250004580640	0	29	-1.0	-51.19	250.64	0.76	-50.43
O=C(CC1CCS(=O)(=O)CC1)NC1=NN=N[N-]1	REAL250004580640	1	29	-1.0	-51.25	250.55	0.77	-50.48
CC1=NN=NN1C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004580641	0	31	-1.0	-53.34	277.12	4.28	-49.06
CC1=NN=NN1C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004580641	1	31	-1.0	-53.27	277.22	4.27	-49.00
O=C(NC1=NN=N[N-]1)C1CCCN1C1=CN=CC=N1	REAL250004580642	0	30	-1.0	-46.74	251.87	1.21	-45.53
O=C(NC1=N[N-]N=N1)C1CCCN1C1=CN=CC=N1	REAL250004580642	1	30	-1.0	-46.68	251.96	1.20	-45.48
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004580643	0	36	-1.0	-41.90	295.15	6.20	-35.70
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004580643	1	36	-1.0	-41.95	295.05	6.22	-35.73
O=C(NC1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004580644	0	26	-1.0	-50.68	237.14	6.13	-44.55
O=C(NC1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004580644	1	26	-1.0	-50.59	237.23	6.11	-44.48
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1N1C=NN=C1	REAL250004580645	0	26	-1.0	-48.76	239.67	4.95	-43.81
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1N1C=NN=C1	REAL250004580645	1	26	-1.0	-48.68	239.77	4.92	-43.76
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004580646	0	34	-1.0	-53.88	290.14	7.43	-46.45
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004580646	1	34	-1.0	-53.81	290.31	7.42	-46.39
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CCCCC1	REAL250004580647	0	42	-1.0	-45.14	320.77	9.01	-36.13
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL250004580647	1	42	-1.0	-45.19	320.68	9.03	-36.16
CCC1(C(=O)NC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004580648	0	36	-1.0	-45.36	276.23	7.04	-38.32
CCC1(C(=O)NC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004580648	1	36	-1.0	-45.28	276.32	7.02	-38.26
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004580649	0	26	-1.0	-44.55	247.10	5.49	-39.06
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004580649	1	26	-1.0	-44.44	247.20	5.47	-38.97
O=C(NC1=NN=N[N-]1)C1=CON=C1C1=CC=CC=C1	REAL250004580650	0	26	-1.0	-45.74	239.76	4.79	-40.95
O=C(NC1=N[N-]N=N1)C1=CON=C1C1=CC=CC=C1	REAL250004580650	1	26	-1.0	-45.67	239.86	4.78	-40.89
CN(C)C1(C(=O)NC2=N[N-]N=N2)COC2=CC=CC=C2C1	REAL250004580651	0	36	-1.0	-47.99	282.96	3.29	-44.70
CN(C)C1(C(=O)NC2=NN=N[N-]2)COC2=CC=CC=C2C1	REAL250004580651	1	36	-1.0	-48.08	282.86	3.30	-44.78
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580652	0	34	-1.0	-47.65	285.77	7.32	-40.33
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580652	1	34	-1.0	-47.57	285.87	7.33	-40.24
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580653	0	34	-1.0	-47.68	285.77	7.32	-40.36
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580653	1	34	-1.0	-47.58	285.88	7.31	-40.27
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=N[N-]N=N1	REAL250004580654	0	29	-1.0	-42.29	262.34	5.91	-36.38
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=NN=N[N-]1	REAL250004580654	1	29	-1.0	-42.38	262.25	5.92	-36.46
CN1C(=O)N(CC(=O)NC2=N[N-]N=N2)N=C1C1CC1	REAL250004580655	0	30	-1.0	-55.60	273.03	4.24	-51.36
CN1C(=O)N(CC(=O)NC2=NN=N[N-]2)N=C1C1CC1	REAL250004580655	1	30	-1.0	-55.69	272.94	4.25	-51.44
CCN1C(C)=NN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004580656	0	29	-1.0	-56.96	262.92	3.69	-53.27
CCN1C(C)=NN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004580656	1	29	-1.0	-57.04	262.82	3.70	-53.34
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004580657	0	29	-1.0	-46.55	255.47	5.50	-41.05
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004580657	1	29	-1.0	-46.58	255.38	5.53	-41.05
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004580658	0	33	-1.0	-44.70	284.21	6.39	-38.31
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004580658	1	33	-1.0	-44.80	284.12	6.41	-38.39
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580659	0	31	-1.0	-47.07	273.12	4.56	-42.51
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580659	1	31	-1.0	-46.99	273.21	4.55	-42.44
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2F)=NO1	REAL250004580660	0	29	-1.0	-43.63	269.56	5.50	-38.13
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2F)=NO1	REAL250004580660	1	29	-1.0	-43.59	269.66	5.48	-38.11
O=C(NC1=N[N-]N=N1)C1CCOCC12CCCCC2	REAL250004580661	0	37	-1.0	-44.08	266.56	4.28	-39.80
O=C(NC1=NN=N[N-]1)C1CCOCC12CCCCC2	REAL250004580661	1	37	-1.0	-44.16	266.46	4.29	-39.87
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1CC2	REAL250004580662	0	33	-1.0	-41.41	255.55	5.68	-35.73
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL250004580662	1	33	-1.0	-41.41	255.45	5.69	-35.72
CC(F)(F)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004580663	0	29	-1.0	-48.23	254.25	5.87	-42.36
CC(F)(F)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004580663	1	29	-1.0	-48.30	254.16	5.90	-42.40
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCOC1	REAL250004580664	0	31	-1.0	-45.41	255.40	4.36	-41.05
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCOC1	REAL250004580664	1	31	-1.0	-45.34	255.49	4.34	-41.00
CC1=CC=C(C2CCCCC2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580665	0	39	-1.0	-46.56	297.94	7.75	-38.81
CC1=CC=C(C2CCCCC2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580665	1	39	-1.0	-46.62	297.83	7.77	-38.85
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004580666	0	34	-1.0	-56.56	298.49	5.47	-51.09
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004580666	1	34	-1.0	-56.61	298.40	5.48	-51.13
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=N[N-]N=N1	REAL250004580667	0	30	-1.0	-45.30	274.51	6.15	-39.15
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=NN=N[N-]1	REAL250004580667	1	30	-1.0	-45.34	274.42	6.17	-39.17
CNS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580668	0	28	-1.0	-47.67	263.96	-0.01	-47.68
CNS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580668	1	28	-1.0	-47.58	264.05	-0.03	-47.61
CC1=CC=C(OC(C)C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004580669	0	33	-1.0	-46.85	279.98	6.27	-40.58
CC1=CC=C(OC(C)C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004580669	1	33	-1.0	-46.91	279.88	6.29	-40.62
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=N[N-]N=N1	REAL250004580670	0	33	-1.0	-50.56	284.24	0.08	-50.48
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=NN=N[N-]1	REAL250004580670	1	33	-1.0	-50.63	284.14	0.09	-50.54
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004580671	0	28	-1.0	-50.03	251.83	2.26	-47.77
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004580671	1	28	-1.0	-50.13	251.74	2.27	-47.86
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004580672	0	26	-1.0	-46.51	245.61	6.57	-39.94
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004580672	1	26	-1.0	-46.43	245.71	6.57	-39.86
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004580673	0	29	-1.0	-44.00	263.19	5.50	-38.50
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004580673	1	29	-1.0	-43.94	263.28	5.49	-38.45
O=C(NC1=NN=N[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL250004580674	0	18	-1.0	-40.26	223.62	2.13	-38.13
O=C(NC1=N[N-]N=N1)C1=C(Cl)SC2=C1SN=N2	REAL250004580674	1	18	-1.0	-40.20	223.72	2.12	-38.08
COC(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004580675	0	29	-1.0	-48.55	252.34	5.01	-43.54
COC(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004580675	1	29	-1.0	-48.48	252.43	5.00	-43.48
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL250004580676	0	32	-1.0	-48.68	280.32	4.75	-43.93
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL250004580676	1	32	-1.0	-48.62	280.43	4.74	-43.88
CC1=NN=C(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)O1	REAL250004580677	0	30	-1.0	-49.08	278.97	-2.54	-51.62
CC1=NN=C(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)O1	REAL250004580677	1	30	-1.0	-49.13	278.87	-2.52	-51.65
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004580678	0	38	-1.0	-50.45	309.47	3.25	-47.20
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004580678	1	38	-1.0	-50.50	309.38	3.25	-47.25
CNS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580679	0	27	-1.0	-46.23	260.00	-1.96	-48.19
CNS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580679	1	27	-1.0	-46.14	260.10	-1.96	-48.10
O=C(NC1=NN=N[N-]1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL250004580680	0	25	-1.0	-44.11	250.52	3.38	-40.73
O=C(NC1=N[N-]N=N1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL250004580680	1	25	-1.0	-44.04	250.62	3.37	-40.67
COCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004580682	0	30	-1.0	-44.15	263.57	1.95	-42.20
COCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004580682	1	30	-1.0	-44.25	263.47	1.97	-42.28
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O=C(NC1=N[N-]N=N1)C1=CC=C2CCOC(=O)C2=C1	REAL250004580684	1	27	-1.0	-55.47	243.29	4.73	-50.74
CC1=C(C(=O)NC2=NN=N[N-]2)CN2N=CN=C2N1C	REAL250004580685	0	29	-1.0	-43.91	244.70	6.24	-37.67
CC1=C(C(=O)NC2=N[N-]N=N2)CN2N=CN=C2N1C	REAL250004580685	1	29	-1.0	-43.82	244.81	6.23	-37.59
O=C(NC1=N[N-]N=N1)C1COCCN1CC(F)F	REAL250004580686	0	29	-1.0	-43.10	237.80	-0.16	-43.26
O=C(NC1=NN=N[N-]1)C1COCCN1CC(F)F	REAL250004580686	1	29	-1.0	-43.12	237.71	-0.14	-43.26
CC1=C(C(=O)NC2=NN=N[N-]2)CN2N=NN=C2N1C	REAL250004580687	0	28	-1.0	-42.17	239.68	3.93	-38.24
CC1=C(C(=O)NC2=N[N-]N=N2)CN2N=NN=C2N1C	REAL250004580687	1	28	-1.0	-42.12	239.78	3.92	-38.20
O=C(CCCCC1CSSC1)NC1=N[N-]N=N1	REAL250004580689	0	31	-1.0	-47.13	279.99	6.96	-40.17
O=C(CCCCC1CSSC1)NC1=NN=N[N-]1	REAL250004580689	1	31	-1.0	-47.24	279.89	6.98	-40.26
CNC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580690	0	32	-1.0	-51.76	262.79	1.77	-49.99
CNC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580690	1	32	-1.0	-51.85	262.70	1.80	-50.05
O=C(NC1=NN=N[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004580691	0	25	-1.0	-42.56	238.62	4.71	-37.85
O=C(NC1=N[N-]N=N1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004580691	1	25	-1.0	-42.52	238.71	4.71	-37.81
CC1=CC2=CC=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580692	0	28	-1.0	-55.70	247.84	5.27	-50.43
CC1=CC2=CC=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580692	1	28	-1.0	-55.67	247.94	5.27	-50.40
O=C(CC1=CC(Br)=CS1)NC1=N[N-]N=N1	REAL250004580693	0	20	-1.0	-43.47	223.84	4.20	-39.27
O=C(CC1=CC(Br)=CS1)NC1=NN=N[N-]1	REAL250004580693	1	20	-1.0	-43.51	223.75	4.22	-39.29
CN1C=C(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580694	0	30	-1.0	-52.87	263.16	5.08	-47.79
CN1C=C(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580694	1	30	-1.0	-52.79	263.25	5.08	-47.71
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004580695	0	28	-1.0	-46.41	250.23	4.43	-41.98
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004580695	1	28	-1.0	-46.32	250.33	4.43	-41.89
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NC1=N[N-]N=N1	REAL250004580696	0	31	-1.0	-45.80	290.28	7.79	-38.01
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COC1(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)COC1	REAL250004580697	0	32	-1.0	-49.61	267.91	3.10	-46.51
COC1(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)COC1	REAL250004580697	1	32	-1.0	-49.56	268.01	3.09	-46.47
COCCN1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004580698	0	34	-1.0	-50.94	293.99	5.47	-45.47
COCCN1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004580698	1	34	-1.0	-50.82	294.56	5.48	-45.34
CC(C)N1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004580699	0	33	-1.0	-51.69	278.58	6.91	-44.78
CC(C)N1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004580699	1	33	-1.0	-51.58	278.97	6.90	-44.68
CCC(CC(=O)NC1=N[N-]N=N1)CC(F)(F)F	REAL250004580700	0	28	-1.0	-46.54	237.86	4.26	-42.28
CCC(CC(=O)NC1=NN=N[N-]1)CC(F)(F)F	REAL250004580700	1	28	-1.0	-46.62	237.77	4.27	-42.35
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL250004580701	0	26	-1.0	-40.39	258.65	5.09	-35.30
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL250004580701	1	26	-1.0	-40.30	258.75	5.07	-35.23
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL250004580702	0	30	-1.0	-51.80	268.61	2.34	-49.46
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL250004580702	1	30	-1.0	-51.75	268.71	2.33	-49.42
O=C(NC1=N[N-]N=N1)C12CCN(CCC1)S2(=O)=O	REAL250004580703	0	29	-1.0	-52.58	245.94	-0.01	-52.59
O=C(NC1=NN=N[N-]1)C12CCN(CCC1)S2(=O)=O	REAL250004580703	1	29	-1.0	-52.69	245.84	0.01	-52.68
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004580704	0	29	-1.0	-53.40	266.89	3.52	-49.88
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004580704	1	29	-1.0	-53.34	266.99	3.52	-49.82
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CC2(F)F)=C1	REAL250004580705	0	30	-1.0	-46.75	276.00	6.52	-40.23
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CC2(F)F)=C1	REAL250004580705	1	30	-1.0	-46.79	275.90	6.53	-40.26
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CC1=C(C(=O)NC2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL250004580707	0	29	-1.0	-45.53	245.57	6.64	-38.89
CC1=C(C(=O)NC2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL250004580707	1	29	-1.0	-45.44	245.67	6.63	-38.81
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC(=O)CC2)C=C1	REAL250004580708	0	38	-1.0	-45.54	303.88	6.80	-38.74
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC(=O)CC2)C=C1	REAL250004580708	1	38	-1.0	-45.59	303.79	6.81	-38.78
O=C(NC1=N[N-]N=N1)C1(C2CCOCC2)CC1(F)F	REAL250004580709	0	31	-1.0	-46.55	257.52	3.93	-42.62
O=C(NC1=NN=N[N-]1)C1(C2CCOCC2)CC1(F)F	REAL250004580709	1	31	-1.0	-46.65	257.43	3.95	-42.70
O=C(NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL250004580710	0	23	-1.0	-49.25	234.60	5.02	-44.23
O=C(NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL250004580710	1	23	-1.0	-49.15	234.69	5.02	-44.13
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004580711	0	27	-1.0	-47.22	262.10	6.24	-40.98
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004580711	1	27	-1.0	-47.27	262.01	6.26	-41.01
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004580712	0	27	-1.0	-52.23	248.23	2.77	-49.46
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004580712	1	27	-1.0	-52.14	248.33	2.77	-49.37
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=N[N-]N=N1	REAL250004580713	0	23	-1.0	-46.31	233.78	3.69	-42.62
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=NN=N[N-]1	REAL250004580713	1	23	-1.0	-46.40	233.69	3.70	-42.70
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=C(C)S1	REAL250004580714	0	26	-1.0	-44.86	261.24	5.77	-39.09
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=C(C)S1	REAL250004580714	1	26	-1.0	-44.82	261.34	5.76	-39.06
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=N[N-]N=N1)C2	REAL250004580715	0	32	-1.0	-49.25	261.72	0.51	-48.74
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=NN=N[N-]1)C2	REAL250004580715	1	32	-1.0	-49.36	261.62	0.53	-48.83
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=NN=N[N-]1	REAL250004580716	0	27	-1.0	-47.81	251.72	6.03	-41.78
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=N[N-]N=N1	REAL250004580716	1	27	-1.0	-47.70	251.81	6.02	-41.68
COC1=CC2=NC=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004580717	0	29	-1.0	-44.19	252.92	3.48	-40.71
COC1=CC2=NC=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004580717	1	29	-1.0	-44.07	253.02	3.48	-40.59
CCSC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580718	0	33	-1.0	-48.88	269.76	5.82	-43.06
CCSC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580718	1	33	-1.0	-48.96	269.65	5.84	-43.12
CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004580719	0	29	-1.0	-45.97	254.82	6.73	-39.24
CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004580719	1	29	-1.0	-45.91	254.92	6.71	-39.20
O=C(NC1=NN=N[N-]1)C1=CSC(Cl)=C1Cl	REAL250004580720	0	17	-1.0	-45.03	208.73	3.84	-41.19
O=C(NC1=N[N-]N=N1)C1=CSC(Cl)=C1Cl	REAL250004580720	1	17	-1.0	-44.97	208.83	3.83	-41.14
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL250004580721	0	32	-1.0	-53.71	280.73	3.29	-50.42
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCOCC2=O)=C1	REAL250004580721	1	32	-1.0	-53.62	280.83	3.26	-50.36
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004580722	0	27	-1.0	-45.24	254.79	5.04	-40.20
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004580722	1	27	-1.0	-45.16	254.89	5.03	-40.13
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004580723	0	30	-1.0	-54.86	285.35	3.42	-51.44
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004580723	1	30	-1.0	-54.93	285.26	3.44	-51.49
O=C(NC1=N[N-]N=N1)C1CC(OC(F)(F)F)C1	REAL250004580724	0	24	-1.0	-44.99	231.12	2.34	-42.65
O=C(NC1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL250004580724	1	24	-1.0	-45.01	231.03	2.35	-42.66
CS(=O)(=O)C1=COC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580725	0	23	-1.0	-51.27	234.68	-0.72	-51.99
CS(=O)(=O)C1=COC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580725	1	23	-1.0	-51.16	234.78	-0.74	-51.90
O=C(CC1=CC=C2COCCC2=C1)NC1=N[N-]N=N1	REAL250004580726	0	31	-1.0	-47.03	265.86	4.56	-42.47
O=C(CC1=CC=C2COCCC2=C1)NC1=NN=N[N-]1	REAL250004580726	1	31	-1.0	-47.07	265.77	4.57	-42.50
O=C(CC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004580727	0	31	-1.0	-47.04	265.86	4.55	-42.49
O=C(CC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004580727	1	31	-1.0	-47.09	265.76	4.57	-42.52
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004580728	0	29	-1.0	-42.65	263.19	5.49	-37.16
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004580728	1	29	-1.0	-42.61	263.29	5.49	-37.12
CC1=NC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004580729	0	22	-1.0	-41.69	224.44	3.20	-38.49
CC1=NC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004580729	1	22	-1.0	-41.74	224.34	3.19	-38.55
COC1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004580730	0	23	-1.0	-46.15	233.44	3.20	-42.95
COC1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004580730	1	23	-1.0	-46.08	233.54	3.19	-42.89
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL250004580731	0	27	-1.0	-50.64	251.87	5.10	-45.54
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCC(=O)C2=C1	REAL250004580731	1	27	-1.0	-50.55	251.97	5.09	-45.46
CCC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004580732	0	32	-1.0	-43.68	287.58	4.95	-38.73
CCC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004580732	1	32	-1.0	-43.63	287.69	4.94	-38.69
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004580733	0	41	-1.0	-44.55	325.99	8.49	-36.06
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004580733	1	41	-1.0	-44.65	325.90	8.51	-36.14
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004580734	0	31	-1.0	-42.67	269.86	5.63	-37.04
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004580734	1	31	-1.0	-42.60	269.96	5.61	-36.99
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580735	0	28	-1.0	-41.86	262.57	3.94	-37.92
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580735	1	28	-1.0	-49.19	262.71	3.91	-45.28
CC1(C)CCC(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004580736	0	35	-1.0	-52.60	285.89	6.22	-46.38
CC1(C)CCC(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004580736	1	35	-1.0	-52.53	285.99	6.21	-46.32
O=C(NC1=N[N-]N=N1)C1CCC(=O)N(C2CC2)C1	REAL250004580737	0	31	-1.0	-43.91	257.77	3.47	-40.44
O=C(NC1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL250004580737	1	31	-1.0	-43.94	257.67	3.49	-40.45
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=N[N-]N=N1	REAL250004580738	0	36	-1.0	-46.52	296.15	3.31	-43.21
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=NN=N[N-]1	REAL250004580738	1	36	-1.0	-46.58	296.06	3.32	-43.26
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL250004580739	0	33	-1.0	-48.70	284.56	4.97	-43.73
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL250004580739	1	33	-1.0	-48.76	284.47	4.98	-43.78
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CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004580759	0	38	-1.0	-42.37	302.47	7.53	-34.84
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CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004580766	1	29	-1.0	-43.52	259.59	5.84	-37.68
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CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004580775	1	29	-1.0	-49.79	268.88	4.54	-45.25
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CCCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004580791	0	36	-1.0	-45.84	306.50	6.28	-39.56
CCCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004580791	1	36	-1.0	-45.90	306.41	6.30	-39.60
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COC1CC2(C1)CCC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004580794	1	37	-1.0	-45.14	290.50	4.67	-40.47
CCCC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004580795	0	38	-1.0	-46.71	308.49	7.85	-38.86
CCCC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004580795	1	38	-1.0	-46.75	308.40	7.86	-38.89
CCC(C)(C)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580796	0	41	-1.0	-45.49	289.81	6.38	-39.11
CCC(C)(C)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580796	1	41	-1.0	-45.57	289.70	6.40	-39.17
CC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C2C=C1	REAL250004580797	0	28	-1.0	-44.29	250.08	4.83	-39.46
CC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C2C=C1	REAL250004580797	1	28	-1.0	-44.23	250.18	4.83	-39.40
CN1C=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)N=N1	REAL250004580798	0	25	-1.0	-48.93	244.97	1.41	-47.52
CN1C=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)N=N1	REAL250004580798	1	25	-1.0	-48.85	245.07	1.40	-47.45
O=C(NC1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250004580799	0	27	-1.0	-51.68	243.36	3.56	-48.12
O=C(NC1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL250004580799	1	27	-1.0	-51.56	243.46	3.55	-48.01
CCC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004580800	0	35	-1.0	-46.55	287.09	7.09	-39.46
CCC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004580800	1	35	-1.0	-46.62	286.99	7.11	-39.51
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004580801	0	30	-1.0	-40.23	246.96	4.13	-36.10
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004580801	1	30	-1.0	-40.23	246.86	4.14	-36.09
CCOC(=O)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004580802	0	32	-1.0	-51.27	284.95	6.87	-44.40
CCOC(=O)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004580802	1	32	-1.0	-51.22	285.04	6.86	-44.36
O=C(CCC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004580803	0	34	-1.0	-44.57	287.26	5.36	-39.21
O=C(CCC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004580803	1	34	-1.0	-44.64	287.16	5.38	-39.26
O=C(NC1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL250004580804	0	30	-1.0	-45.53	253.85	5.43	-40.10
O=C(NC1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL250004580804	1	30	-1.0	-45.62	253.75	5.43	-40.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Br	REAL250004580805	0	22	-1.0	-44.61	224.32	3.13	-41.48
CC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Br	REAL250004580805	1	22	-1.0	-44.52	224.41	3.14	-41.38
CN(C)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004580806	0	30	-1.0	-41.81	268.10	5.10	-36.71
CN(C)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004580806	1	30	-1.0	-41.74	268.20	5.08	-36.66
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004580807	0	24	-1.0	-41.86	235.43	3.65	-38.21
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004580807	1	24	-1.0	-41.78	235.53	3.65	-38.13
COC(=O)C1=CSC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580808	0	23	-1.0	-48.05	235.45	3.47	-44.58
COC(=O)C1=CSC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580808	1	23	-1.0	-47.99	235.56	3.45	-44.54
N#CC1=CC=C(C2=C(C(=O)NC3=NN=N[N-]3)N=CO2)C=C1	REAL250004580809	0	27	-1.0	-46.24	263.63	2.61	-43.63
N#CC1=CC=C(C2=C(C(=O)NC3=N[N-]N=N3)N=CO2)C=C1	REAL250004580809	1	27	-1.0	-46.16	263.69	2.60	-43.56
O=C(NC1=N[N-]N=N1)C12CCCN1C(=O)CCCC2	REAL250004580810	0	34	-1.0	-46.13	265.72	4.13	-42.00
O=C(NC1=NN=N[N-]1)C12CCCN1C(=O)CCCC2	REAL250004580810	1	34	-1.0	-46.23	265.63	4.15	-42.08
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL250004580811	0	30	-1.0	-42.22	271.45	6.46	-35.76
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL250004580811	1	30	-1.0	-42.30	271.36	6.48	-35.82
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=N[N-]N=N1	REAL250004580812	0	31	-1.0	-49.66	262.77	5.51	-44.15
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=NN=N[N-]1	REAL250004580812	1	31	-1.0	-49.72	262.68	5.51	-44.21
CN1CCN2N=CC(C(=O)NC3=NN=N[N-]3)=C2S1(=O)=O	REAL250004580813	0	29	-1.0	-60.60	266.70	-0.99	-61.59
CN1CCN2N=CC(C(=O)NC3=N[N-]N=N3)=C2S1(=O)=O	REAL250004580813	1	29	-1.0	-60.49	266.79	-1.01	-61.50
CC1=CC=C(NC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)N=N1	REAL250004580814	0	33	-1.0	-49.72	290.96	5.31	-44.41
CC1=CC=C(NC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)N=N1	REAL250004580814	1	33	-1.0	-49.70	291.06	5.29	-44.41
CN(C)C1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004580815	0	34	-1.0	-47.09	284.40	6.44	-40.65
CN(C)C1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004580815	1	34	-1.0	-47.01	284.50	6.43	-40.58
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004580816	0	38	-1.0	-43.62	267.25	5.80	-37.82
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004580816	1	38	-1.0	-43.72	267.13	5.82	-37.90
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=N[N-]N=N3)C[C@@H]12	REAL250004580817	0	38	-1.0	-45.79	317.06	3.26	-42.53
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=NN=N[N-]3)C[C@@H]12	REAL250004580817	1	38	-1.0	-45.89	316.97	3.27	-42.62
CC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004580818	0	26	-1.0	-50.18	249.18	2.81	-47.37
CC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004580818	1	26	-1.0	-50.26	249.07	2.83	-47.43
CCC1=CC=C(C(=O)C(=O)NC2=N[N-]N=N2)S1	REAL250004580819	0	25	-1.0	-39.75	242.99	4.26	-35.49
CCC1=CC=C(C(=O)C(=O)NC2=NN=N[N-]2)S1	REAL250004580819	1	25	-1.0	-39.81	242.90	4.28	-35.53
CC1(C)OC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004580820	0	32	-1.0	-46.19	277.77	2.37	-43.82
CC1(C)OC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004580820	1	32	-1.0	-46.11	277.88	2.37	-43.74
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL250004580821	0	28	-1.0	-45.81	241.42	2.94	-42.87
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL250004580821	1	28	-1.0	-45.74	241.52	2.94	-42.80
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004580822	0	28	-1.0	-47.29	257.14	2.73	-44.56
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004580822	1	28	-1.0	-47.22	257.24	2.73	-44.49
COC(=O)C1=CC=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C12	REAL250004580823	0	32	-1.0	-44.92	278.20	6.53	-38.39
COC(=O)C1=CC=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C12	REAL250004580823	1	32	-1.0	-44.86	278.30	6.53	-38.33
O=C(NC1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL250004580824	0	27	-1.0	-41.06	236.71	0.46	-40.60
O=C(NC1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL250004580824	1	27	-1.0	-40.99	236.81	0.46	-40.53
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC=C1C(F)F	REAL250004580825	0	25	-1.0	-44.33	233.23	3.45	-40.88
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC=C1C(F)F	REAL250004580825	1	25	-1.0	-44.33	233.13	3.44	-40.89
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL250004580826	0	28	-1.0	-51.11	256.95	2.08	-49.03
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL250004580826	1	28	-1.0	-51.03	257.05	2.07	-48.96
CN(C)C(=O)C1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580827	0	29	-1.0	-42.70	254.54	1.88	-40.82
CN(C)C(=O)C1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580827	1	29	-1.0	-42.62	254.64	1.87	-40.75
O=C(NC1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004580828	0	24	-1.0	-47.77	242.03	3.00	-44.77
O=C(NC1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004580828	1	24	-1.0	-47.71	242.12	2.99	-44.72
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCOCC1	REAL250004580829	0	34	-1.0	-45.65	283.06	3.07	-42.58
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCOCC1	REAL250004580829	1	34	-1.0	-45.74	282.96	3.09	-42.65
COC1=CC=CC=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL250004580830	0	31	-1.0	-51.74	266.94	4.68	-47.06
COC1=CC=CC=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL250004580830	1	31	-1.0	-51.88	266.85	4.70	-47.18
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004580831	0	34	-1.0	-52.81	291.55	2.65	-50.16
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004580831	1	34	-1.0	-52.89	291.45	2.67	-50.22
N#CC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004580832	0	24	-1.0	-47.10	238.62	4.61	-42.49
N#CC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004580832	1	24	-1.0	-47.21	238.53	4.63	-42.58
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004580833	0	29	-1.0	-45.10	263.73	5.56	-39.54
O=C(NC1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL250004580834	0	32	-1.0	-46.73	266.10	3.09	-43.64
O=C(NC1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL250004580834	1	32	-1.0	-46.81	266.01	3.10	-43.71
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004580835	0	25	-1.0	-39.70	241.31	3.04	-36.66
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004580835	1	25	-1.0	-39.62	241.40	3.03	-36.59
O=C(NC1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL250004580836	0	29	-1.0	-38.48	265.30	6.18	-32.30
O=C(NC1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL250004580836	1	29	-1.0	-38.56	265.20	6.20	-32.36
CC1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)S1	REAL250004580837	0	23	-1.0	-43.42	238.53	5.11	-38.31
CC1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)S1	REAL250004580837	1	23	-1.0	-43.34	238.63	5.10	-38.24
CC(C)OCC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004580838	0	36	-1.0	-45.96	303.56	5.97	-39.99
CC(C)OCC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004580838	1	36	-1.0	-46.02	303.47	5.98	-40.04
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL250004580839	0	27	-1.0	-45.23	268.72	6.61	-38.62
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL250004580839	1	27	-1.0	-45.31	268.63	6.63	-38.68
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004580840	0	36	-1.0	-44.98	286.53	7.36	-37.62
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004580840	1	36	-1.0	-45.08	286.44	7.38	-37.70
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL250004580841	0	30	-1.0	-40.55	274.79	4.85	-35.70
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=NN1C1CCCC1	REAL250004580841	1	30	-1.0	-40.50	274.89	4.84	-35.66
O=C(NC1=NN=N[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL250004580842	0	30	-1.0	-53.16	275.34	0.17	-52.99
O=C(NC1=N[N-]N=N1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL250004580842	1	30	-1.0	-53.06	275.44	0.15	-52.91
CP(C)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580844	0	29	-1.0	-54.10	267.43	3.38	-50.72
CP(C)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580844	1	29	-1.0	-53.99	267.53	3.36	-50.63
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580845	0	30	-1.0	-53.07	275.55	1.22	-51.85
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580845	1	30	-1.0	-52.96	275.65	1.20	-51.76
CCCSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580846	0	30	-1.0	-47.00	270.55	6.48	-40.52
CCCSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580846	1	30	-1.0	-46.93	270.65	6.45	-40.48
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=N[N-]N=N1	REAL250004580847	0	34	-1.0	-45.50	278.70	5.48	-40.02
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=NN=N[N-]1	REAL250004580847	1	34	-1.0	-45.60	278.61	5.51	-40.09
COC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580848	0	23	-1.0	-44.09	229.34	1.17	-42.92
COC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580848	1	23	-1.0	-44.01	229.44	1.16	-42.85
CCCCSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580849	0	33	-1.0	-47.05	292.05	7.26	-39.79
CCCCSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580849	1	33	-1.0	-46.97	292.15	7.23	-39.74
CC1=NC=NC2=C1CC(C(=O)NC1=N[N-]N=N1)CC2	REAL250004580850	0	31	-1.0	-43.35	258.28	4.66	-38.69
CC1=NC=NC2=C1CC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004580850	1	31	-1.0	-43.43	258.19	4.68	-38.75
CC1C(=O)N(CC(=O)NC2=N[N-]N=N2)C(=O)C1C	REAL250004580851	0	29	-1.0	-50.89	253.40	2.56	-48.33
CC1C(=O)N(CC(=O)NC2=NN=N[N-]2)C(=O)C1C	REAL250004580851	1	29	-1.0	-50.97	253.31	2.57	-48.40
O=C(NC1=N[N-]N=N1)C1CCC(OC(F)(F)F)CC1	REAL250004580852	0	30	-1.0	-47.05	255.19	3.37	-43.68
O=C(NC1=NN=N[N-]1)C1CCC(OC(F)(F)F)CC1	REAL250004580852	1	30	-1.0	-47.16	255.09	3.39	-43.77
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004580853	0	30	-1.0	-48.18	260.91	5.91	-42.27
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004580853	1	30	-1.0	-48.14	261.01	5.90	-42.24
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004580854	0	25	-1.0	-44.68	235.59	-0.60	-45.28
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004580854	1	25	-1.0	-44.76	235.50	-0.60	-45.36
O=C(CC1CCC2(CCCC2)CC1)NC1=N[N-]N=N1	REAL250004580855	0	39	-1.0	-44.42	289.91	6.88	-37.54
O=C(CC1CCC2(CCCC2)CC1)NC1=NN=N[N-]1	REAL250004580855	1	39	-1.0	-44.51	289.82	6.90	-37.61
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004580856	0	26	-1.0	-45.45	254.67	4.83	-40.62
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004580856	1	26	-1.0	-45.38	254.77	4.82	-40.56
O=C(CC1COCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004580857	0	31	-1.0	-45.52	257.47	4.33	-41.19
O=C(CC1COCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004580857	1	31	-1.0	-45.59	257.37	4.34	-41.25
O=C(CC1CCCCCC1(F)F)NC1=N[N-]N=N1	REAL250004580858	0	32	-1.0	-41.26	250.01	5.17	-36.09
O=C(CC1CCCCCC1(F)F)NC1=NN=N[N-]1	REAL250004580858	1	32	-1.0	-41.32	249.92	5.18	-36.14
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL250004580859	0	32	-1.0	-45.67	284.06	7.05	-38.62
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL250004580859	1	32	-1.0	-53.86	284.12	7.05	-46.81
CC1CC(C(=O)NC2=N[N-]N=N2)CCS1(=O)=O	REAL250004580860	0	29	-1.0	-50.16	245.18	0.62	-49.54
CC1CC(C(=O)NC2=NN=N[N-]2)CCS1(=O)=O	REAL250004580860	1	29	-1.0	-50.26	245.09	0.63	-49.63
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004580861	0	34	-1.0	-44.04	275.49	7.35	-36.69
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004580861	1	34	-1.0	-44.07	275.40	7.36	-36.71
CC(C1CC1)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004580862	0	34	-1.0	-43.82	278.99	4.29	-39.53
CC(C1CC1)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004580862	1	34	-1.0	-43.91	278.89	4.30	-39.61
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004580863	0	37	-1.0	-53.13	305.08	3.62	-49.51
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004580863	1	37	-1.0	-53.15	304.99	3.63	-49.52
CCC1=CN2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004580864	0	33	-1.0	-43.46	275.55	5.26	-38.20
CCC1=CN2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004580864	1	33	-1.0	-43.50	275.46	5.27	-38.23
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004580865	0	33	-1.0	-46.35	290.20	8.26	-38.09
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004580865	1	33	-1.0	-46.30	290.30	8.25	-38.05
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004580866	0	25	-1.0	-44.12	237.78	3.66	-40.46
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004580866	1	25	-1.0	-44.21	237.68	3.65	-40.56
CC1(C)CC2=CC=CC(CC(=O)NC3=N[N-]N=N3)=C2O1	REAL250004580867	0	34	-1.0	-49.31	289.43	5.69	-43.62
CC1(C)CC2=CC=CC(CC(=O)NC3=NN=N[N-]3)=C2O1	REAL250004580867	1	34	-1.0	-49.40	289.34	5.71	-43.69
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004580868	0	32	-1.0	-53.45	291.72	5.53	-47.92
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004580868	1	32	-1.0	-53.50	291.63	5.55	-47.95
CN1C=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1=O	REAL250004580869	0	28	-1.0	-55.91	253.87	4.48	-51.43
CN1C=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1=O	REAL250004580869	1	28	-1.0	-55.87	253.97	4.47	-51.40
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580870	0	40	-1.0	-51.30	320.91	3.28	-48.02
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580870	1	40	-1.0	-51.40	320.81	3.29	-48.11
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004580871	0	20	-1.0	-38.30	226.14	4.88	-33.42
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004580871	1	20	-1.0	-38.22	226.23	4.85	-33.37
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580872	0	34	-1.0	-58.64	295.99	4.98	-53.66
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580872	1	34	-1.0	-58.57	296.09	4.95	-53.62
O=C(NC1=NN=N[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004580873	0	27	-1.0	-46.14	248.32	0.46	-45.68
O=C(NC1=N[N-]N=N1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004580873	1	27	-1.0	-46.08	248.42	0.44	-45.64
CC1CCC(OCCCC(=O)NC2=N[N-]N=N2)CC1	REAL250004580874	0	39	-1.0	-46.67	309.82	5.70	-40.97
CC1CCC(OCCCC(=O)NC2=NN=N[N-]2)CC1	REAL250004580874	1	39	-1.0	-46.70	309.73	5.72	-40.98
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580875	0	34	-1.0	-51.36	295.86	4.96	-46.40
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580875	1	34	-1.0	-51.29	295.96	4.96	-46.33
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=N[N-]N=N1	REAL250004580876	0	31	-1.0	-55.11	265.59	4.73	-50.38
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=NN=N[N-]1	REAL250004580876	1	31	-1.0	-55.18	265.49	4.74	-50.44
CC1(C)C(=O)NC2CCC(C(=O)NC3=N[N-]N=N3)CC21	REAL250004580877	0	37	-1.0	-46.08	289.78	2.24	-43.84
CC1(C)C(=O)NC2CCC(C(=O)NC3=NN=N[N-]3)CC21	REAL250004580877	1	37	-1.0	-46.16	289.69	2.27	-43.89
CN1C=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2C1=O	REAL250004580878	0	28	-1.0	-50.02	253.55	4.49	-45.53
CN1C=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2C1=O	REAL250004580878	1	28	-1.0	-49.99	253.65	4.48	-45.51
CN1N=CC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580879	0	30	-1.0	-46.38	262.63	4.79	-41.59
CN1N=CC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580879	1	30	-1.0	-46.29	262.73	4.78	-41.51
O=C(NC1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL250004580880	0	30	-1.0	-49.71	247.35	0.89	-48.82
O=C(NC1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL250004580880	1	30	-1.0	-49.78	247.26	0.90	-48.88
O=C(CCC1=C(F)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004580881	0	26	-1.0	-45.64	252.91	5.73	-39.91
O=C(CCC1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004580881	1	26	-1.0	-45.74	252.81	5.74	-40.00
CN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL250004580882	0	27	-1.0	-53.98	258.80	6.01	-47.97
CN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL250004580882	1	27	-1.0	-53.92	258.91	6.00	-47.92
CCC1=CC=CC(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004580883	0	35	-1.0	-44.38	280.58	6.75	-37.63
CCC1=CC=CC(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004580883	1	35	-1.0	-44.44	280.49	6.76	-37.68
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=N[N-]N=N1	REAL250004580884	0	34	-1.0	-47.06	295.18	6.28	-40.78
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=NN=N[N-]1	REAL250004580884	1	34	-1.0	-47.10	295.09	6.30	-40.80
CC(C)N1C=C(C2CC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580885	0	33	-1.0	-52.33	277.05	4.86	-47.47
CC(C)N1C=C(C2CC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580885	1	33	-1.0	-52.22	277.14	4.85	-47.37
NC(=O)C1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580886	0	24	-1.0	-50.01	228.31	0.68	-49.33
NC(=O)C1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580886	1	24	-1.0	-49.93	228.41	0.66	-49.27
CN1N=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580887	0	19	-1.0	-42.08	207.31	0.41	-41.67
CN1N=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580887	1	19	-1.0	-42.01	207.41	0.41	-41.60
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004580888	0	28	-1.0	-44.22	258.45	6.63	-37.59
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004580888	1	28	-1.0	-44.14	258.55	6.62	-37.52
O=C(NC1=N[N-]N=N1)C1CCOC2(CCCCC2)C1	REAL250004580889	0	37	-1.0	-43.80	278.75	4.79	-39.01
O=C(NC1=NN=N[N-]1)C1CCOC2(CCCCC2)C1	REAL250004580889	1	37	-1.0	-43.86	278.66	4.80	-39.06
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=N[N-]N=N1	REAL250004580890	0	33	-1.0	-44.30	291.40	7.32	-36.98
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=NN=N[N-]1	REAL250004580890	1	33	-1.0	-44.38	291.30	7.33	-37.05
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004580891	0	32	-1.0	-46.15	269.87	7.14	-39.01
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004580891	1	32	-1.0	-46.07	269.96	7.13	-38.94
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(F)=C1F	REAL250004580892	0	24	-1.0	-39.72	229.38	3.26	-36.46
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(F)=C1F	REAL250004580892	1	24	-1.0	-39.70	229.47	3.24	-36.46
COC1=CC2=CC=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580893	0	29	-1.0	-54.54	255.89	3.91	-50.63
COC1=CC2=CC=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580893	1	29	-1.0	-54.50	255.99	3.91	-50.59
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL250004580894	0	22	-1.0	-39.22	235.79	3.64	-35.58
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL250004580894	1	22	-1.0	-39.12	235.89	3.63	-35.49
CCN1N=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580895	0	22	-1.0	-41.75	229.12	1.26	-40.49
CCN1N=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580895	1	22	-1.0	-41.67	229.21	1.25	-40.42
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004580896	0	31	-1.0	-45.88	274.28	5.07	-40.81
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004580896	1	31	-1.0	-45.86	274.38	5.06	-40.80
CC(=O)NC1=C2C=CN(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004580897	0	34	-1.0	-53.80	300.57	4.85	-48.95
CC(=O)NC1=C2C=CN(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004580897	1	34	-1.0	-53.84	300.48	4.86	-48.98
CN1C(=O)NC2(CCC(C(=O)NC3=N[N-]N=N3)CC2)C1=O	REAL250004580898	0	35	-1.0	-46.94	289.41	1.79	-45.15
CN1C(=O)NC2(CCC(C(=O)NC3=NN=N[N-]3)CC2)C1=O	REAL250004580898	1	35	-1.0	-47.05	289.32	1.82	-45.23
O=C(NC1=N[N-]N=N1)C1CCC2(CCOCC2)O1	REAL250004580899	0	32	-1.0	-48.68	260.42	2.92	-45.76
O=C(NC1=NN=N[N-]1)C1CCC2(CCOCC2)O1	REAL250004580899	1	32	-1.0	-48.75	260.32	2.93	-45.82
CC1=CC=CC=C1C1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004580900	0	29	-1.0	-42.23	266.25	5.46	-36.77
CC1=CC=CC=C1C1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004580900	1	29	-1.0	-42.20	266.35	5.45	-36.75
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004580901	0	26	-1.0	-42.92	241.75	5.44	-37.48
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004580901	1	26	-1.0	-43.00	241.65	5.46	-37.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004580902	0	32	-1.0	-47.40	284.58	6.47	-40.93
O=C(NC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004580902	1	32	-1.0	-47.35	284.68	6.45	-40.90
O=C(NC1=NN=N[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004580903	0	23	-1.0	-44.56	239.23	4.73	-39.83
O=C(NC1=N[N-]N=N1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004580903	1	23	-1.0	-44.42	239.33	4.72	-39.70
CCCN1C=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580904	0	26	-1.0	-48.07	250.96	3.70	-44.37
CCCN1C=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580904	1	26	-1.0	-47.96	251.05	3.70	-44.26
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004580905	0	25	-1.0	-46.34	233.79	3.62	-42.72
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004580905	1	25	-1.0	-46.43	233.69	3.63	-42.80
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004580906	0	32	-1.0	-43.89	288.70	6.15	-37.74
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004580906	1	32	-1.0	-43.84	288.79	6.14	-37.70
NC(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580907	0	24	-1.0	-54.74	226.43	0.71	-54.03
NC(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580907	1	24	-1.0	-54.65	226.53	0.68	-53.97
O=C(NC1=N[N-]N=N1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004580908	0	30	-1.0	-43.74	267.84	6.58	-37.16
O=C(NC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004580908	1	30	-1.0	-43.79	267.74	6.60	-37.19
CC1=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=CS1	REAL250004580909	0	23	-1.0	-38.63	234.57	4.35	-34.28
CC1=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=CS1	REAL250004580909	1	23	-1.0	-38.67	234.48	4.36	-34.31
CC1=NN(CC(F)(F)F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580910	0	26	-1.0	-42.01	249.69	3.44	-38.57
CC1=NN(CC(F)(F)F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580910	1	26	-1.0	-42.06	249.60	3.44	-38.62
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004580911	0	22	-1.0	-37.09	229.71	3.50	-33.59
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004580911	1	22	-1.0	-37.05	229.81	3.48	-33.57
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(N2C=NN=N2)S1	REAL250004580912	0	28	-1.0	-59.44	269.66	4.29	-55.15
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(N2C=NN=N2)S1	REAL250004580912	1	28	-1.0	-59.32	269.76	4.28	-55.04
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004580913	0	40	-1.0	-43.53	298.81	6.74	-36.79
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004580913	1	40	-1.0	-43.56	298.72	6.74	-36.82
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004580914	0	25	-1.0	-43.12	241.48	-0.28	-43.40
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004580914	1	25	-1.0	-43.05	241.57	-0.30	-43.35
O=C(NC1=NN=N[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL250004580915	0	25	-1.0	-44.28	256.53	3.21	-41.07
O=C(NC1=N[N-]N=N1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL250004580915	1	25	-1.0	-44.22	256.63	3.20	-41.02
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)C=C1	REAL250004580916	0	36	-1.0	-45.66	296.34	2.88	-42.78
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL250004580916	1	36	-1.0	-45.75	296.25	2.90	-42.85
CCNC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580917	0	35	-1.0	-49.82	284.30	2.59	-47.23
CCNC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580917	1	35	-1.0	-49.89	284.21	2.62	-47.27
COC1=CC([C@@H](C)CC(=O)NC2=N[N-]N=N2)=CC=C1C	REAL250004580918	0	36	-1.0	-44.23	296.56	5.75	-38.48
COC1=CC([C@@H](C)CC(=O)NC2=NN=N[N-]2)=CC=C1C	REAL250004580918	1	36	-1.0	-44.28	296.47	5.76	-38.52
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004580919	0	32	-1.0	-45.96	275.77	5.06	-40.90
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004580919	1	32	-1.0	-46.03	275.66	5.07	-40.96
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004580920	0	36	-1.0	-44.56	305.23	5.89	-38.67
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004580920	1	36	-1.0	-44.64	305.14	5.91	-38.73
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004580921	0	36	-1.0	-45.51	302.82	6.09	-39.42
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004580921	1	36	-1.0	-45.47	302.91	6.08	-39.39
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL250004580922	0	34	-1.0	-47.66	300.44	7.06	-40.60
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL250004580922	1	34	-1.0	-47.62	300.53	7.04	-40.58
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=NN=N[N-]1	REAL250004580923	0	26	-1.0	-41.90	247.18	3.85	-38.05
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=N[N-]N=N1	REAL250004580923	1	26	-1.0	-41.85	247.27	3.83	-38.02
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CCOCC1	REAL250004580924	0	31	-1.0	-42.87	260.50	4.15	-38.72
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CCOCC1	REAL250004580924	1	31	-1.0	-42.91	260.41	4.17	-38.74
CC1=CC=C(C(C(=O)NC2=N[N-]N=N2)C2CC2)C=C1	REAL250004580925	0	33	-1.0	-44.88	282.84	7.19	-37.69
CC1=CC=C(C(C(=O)NC2=NN=N[N-]2)C2CC2)C=C1	REAL250004580925	1	33	-1.0	-44.92	282.75	7.20	-37.72
O=C(NC1=NN=N[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL250004580927	0	22	-1.0	-52.51	228.16	3.11	-49.40
O=C(NC1=N[N-]N=N1)C1=NN2C=CC=NC2=C1Cl	REAL250004580927	1	22	-1.0	-52.42	228.26	3.10	-49.32
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004580928	0	29	-1.0	-47.23	260.74	5.38	-41.85
CCC1=C(C(=O)NC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004580928	1	29	-1.0	-47.15	260.84	5.38	-41.77
CC1=CC(F)=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580929	0	30	-1.0	-44.06	263.51	6.14	-37.92
CC1=CC(F)=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580929	1	30	-1.0	-44.11	263.41	6.16	-37.95
CC1=CC=C(F)C=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580930	0	30	-1.0	-42.80	263.52	6.14	-36.66
CC1=CC=C(F)C=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580930	1	30	-1.0	-42.89	263.43	6.16	-36.73
O=C(NC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004580931	0	29	-1.0	-47.51	266.35	6.19	-41.32
O=C(NC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004580931	1	29	-1.0	-47.64	266.26	6.20	-41.44
COC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004580932	0	29	-1.0	-50.91	260.53	3.29	-47.62
COC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004580932	1	29	-1.0	-50.85	260.63	3.28	-47.57
COCCN1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004580933	0	30	-1.0	-58.06	264.28	2.91	-55.15
COCCN1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004580933	1	30	-1.0	-57.97	264.38	2.91	-55.06
O=C(NC1=NN=N[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL250004580934	0	28	-1.0	-53.87	242.30	3.41	-50.46
O=C(NC1=N[N-]N=N1)C1=C2NC(=O)CCC2=CC=C1	REAL250004580934	1	28	-1.0	-53.76	242.39	3.40	-50.36
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL250004580935	0	23	-1.0	-51.54	247.43	3.46	-48.08
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1Cl	REAL250004580935	1	23	-1.0	-51.44	247.53	3.45	-47.99
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004580937	0	26	-1.0	-38.48	242.09	5.02	-33.46
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004580937	1	26	-1.0	-38.56	242.00	5.04	-33.52
O=C(NC1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250004580938	0	30	-1.0	-59.81	253.63	4.77	-55.04
O=C(NC1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL250004580938	1	30	-1.0	-59.70	253.73	4.76	-54.94
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL250004580939	0	25	-1.0	-55.26	251.11	4.31	-50.95
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL250004580939	1	25	-1.0	-55.23	251.20	4.30	-50.93
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004580940	0	23	-1.0	-40.21	232.74	4.62	-35.59
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004580940	1	23	-1.0	-40.26	232.65	4.65	-35.61
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004580941	0	23	-1.0	-44.37	232.63	4.62	-39.75
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004580941	1	23	-1.0	-44.43	232.54	4.64	-39.79
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004580942	0	29	-1.0	-40.50	253.02	5.52	-34.98
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004580942	1	29	-1.0	-40.56	252.92	5.54	-35.02
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=NN=N[N-]1	REAL250004580943	0	31	-1.0	-54.42	275.63	4.78	-49.64
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=N[N-]N=N1	REAL250004580943	1	31	-1.0	-54.41	275.72	4.77	-49.64
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=NN=N[N-]1	REAL250004580944	0	31	-1.0	-50.34	262.21	3.33	-47.01
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=N[N-]N=N1	REAL250004580944	1	31	-1.0	-50.25	262.31	3.32	-46.93
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004580945	0	22	-1.0	-43.24	238.15	3.76	-39.48
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004580945	1	22	-1.0	-43.13	238.25	3.74	-39.39
O=C(NC1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL250004580946	0	27	-1.0	-44.83	249.16	2.50	-42.33
O=C(NC1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL250004580946	1	27	-1.0	-44.91	249.06	2.50	-42.41
COC1=C2NC=C(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004580947	0	31	-1.0	-50.06	273.49	3.82	-46.24
COC1=C2NC=C(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004580947	1	31	-1.0	-49.99	273.58	3.80	-46.19
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004580948	0	32	-1.0	-47.54	283.66	5.60	-41.94
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004580948	1	32	-1.0	-47.64	283.56	5.62	-42.02
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004580949	0	29	-1.0	-62.65	265.55	0.41	-62.24
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004580949	1	29	-1.0	-62.72	265.46	0.41	-62.31
COC(=O)C1=CSC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004580950	0	26	-1.0	-48.32	258.58	4.26	-44.06
COC(=O)C1=CSC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004580950	1	26	-1.0	-48.37	258.48	4.28	-44.09
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1F	REAL250004580951	0	29	-1.0	-49.87	271.51	5.17	-44.70
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1F	REAL250004580951	1	29	-1.0	-49.96	271.42	5.18	-44.78
C[C@H]1C(=O)N(CC(=O)NC2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004580952	0	29	-1.0	-50.92	253.45	2.55	-48.37
C[C@H]1C(=O)N(CC(=O)NC2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004580952	1	29	-1.0	-50.99	253.36	2.57	-48.42
O=C(NC1=N[N-]N=N1)C1CCC2(CNC(=O)C2)CC1	REAL250004580953	0	34	-1.0	-52.65	269.44	1.90	-50.75
O=C(NC1=NN=N[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250004580953	1	34	-1.0	-52.69	269.35	1.92	-50.77
O=C(NC1=N[N-]N=N1)C1CC(C2CCOCC2)=NO1	REAL250004580954	0	32	-1.0	-50.16	271.19	3.01	-47.15
O=C(NC1=NN=N[N-]1)C1CC(C2CCOCC2)=NO1	REAL250004580954	1	32	-1.0	-50.22	271.09	3.03	-47.19
O=C(NC1=N[N-]N=N1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004580955	0	31	-1.0	-51.70	278.11	5.94	-45.76
O=C(NC1=NN=N[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004580955	1	31	-1.0	-51.76	278.01	5.95	-45.81
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)S1	REAL250004580956	0	30	-1.0	-43.76	270.69	2.52	-41.24
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)S1	REAL250004580956	1	30	-1.0	-43.86	270.59	2.53	-41.33
O=C(NC1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL250004580957	0	25	-1.0	-40.38	236.82	2.37	-38.01
O=C(NC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250004580957	1	25	-1.0	-40.41	236.72	2.39	-38.02
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004580958	0	28	-1.0	-40.16	249.91	5.90	-34.26
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004580958	1	28	-1.0	-40.06	250.02	5.88	-34.18
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004580959	0	26	-1.0	-48.70	251.07	3.29	-45.41
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004580959	1	26	-1.0	-48.72	250.97	3.30	-45.42
CN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL250004580960	0	27	-1.0	-49.09	253.23	5.81	-43.28
CN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL250004580960	1	27	-1.0	-49.03	253.33	5.80	-43.23
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=NN=N[N-]1	REAL250004580961	0	29	-1.0	-42.29	264.71	5.52	-36.77
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=N[N-]N=N1	REAL250004580961	1	29	-1.0	-42.20	264.80	5.51	-36.69
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004580962	0	25	-1.0	-41.23	240.20	2.47	-38.76
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004580962	1	25	-1.0	-41.18	240.30	2.47	-38.71
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250004580963	0	25	-1.0	-44.56	230.41	4.34	-40.22
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=CN=CC=C21	REAL250004580963	1	25	-1.0	-44.53	230.51	4.34	-40.19
CN1N=NC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580964	0	29	-1.0	-48.19	256.90	3.58	-44.61
CN1N=NC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580964	1	29	-1.0	-48.11	257.00	3.57	-44.54
CC1=C(F)C=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004580965	0	30	-1.0	-45.97	261.82	6.11	-39.86
CC1=C(F)C=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004580965	1	30	-1.0	-46.00	261.72	6.13	-39.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CCCC1	REAL250004580966	0	30	-1.0	-43.42	255.62	5.97	-37.45
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CCCC1	REAL250004580966	1	30	-1.0	-43.47	255.53	5.99	-37.48
CC(F)(F)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004580967	0	25	-1.0	-42.50	238.76	3.84	-38.66
CC(F)(F)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004580967	1	25	-1.0	-42.44	238.86	3.85	-38.59
O=C(NC1=N[N-]N=N1)C(C1=CC=CS1)C1CCCCC1	REAL250004580968	0	36	-1.0	-44.59	299.55	7.32	-37.27
O=C(NC1=NN=N[N-]1)C(C1=CC=CS1)C1CCCCC1	REAL250004580968	1	36	-1.0	-44.66	299.46	7.33	-37.33
CCOC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004580969	0	39	-1.0	-44.60	308.45	6.30	-38.30
CCOC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004580969	1	39	-1.0	-44.70	308.36	6.31	-38.39
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004580970	0	27	-1.0	-47.55	247.80	5.93	-41.62
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004580970	1	27	-1.0	-47.51	247.90	5.93	-41.58
O=C(CCC1=CC=C2OC=NC2=C1)NC1=N[N-]N=N1	REAL250004580971	0	28	-1.0	-48.43	255.27	2.19	-46.24
O=C(CCC1=CC=C2OC=NC2=C1)NC1=NN=N[N-]1	REAL250004580971	1	28	-1.0	-48.48	255.18	2.20	-46.28
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCSC2)N=C1Cl	REAL250004580972	0	27	-1.0	-44.23	258.74	4.68	-39.55
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL250004580972	1	27	-1.0	-44.31	258.65	4.68	-39.63
CN1N=C(C(F)(F)F)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004580973	0	26	-1.0	-47.76	254.51	2.98	-44.78
CN1N=C(C(F)(F)F)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004580973	1	26	-1.0	-47.85	254.42	3.00	-44.85
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL250004580974	0	27	-1.0	-44.94	257.91	3.77	-41.17
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL250004580974	1	27	-1.0	-44.84	258.01	3.76	-41.08
CCC1=CN2CCC(C(=O)NC3=N[N-]N=N3)CC2=N1	REAL250004580975	0	33	-1.0	-45.86	275.70	5.28	-40.58
CCC1=CN2CCC(C(=O)NC3=NN=N[N-]3)CC2=N1	REAL250004580975	1	33	-1.0	-45.91	275.61	5.29	-40.62
O=C(CC1CCCC2CCCCC12)NC1=N[N-]N=N1	REAL250004580976	0	39	-1.0	-43.76	289.91	6.92	-36.84
O=C(CC1CCCC2CCCCC12)NC1=NN=N[N-]1	REAL250004580976	1	39	-1.0	-43.80	289.82	6.93	-36.87
COC1=C2C(C(=O)NC3=NN=N[N-]3)=CSC2=CC=C1	REAL250004580977	0	27	-1.0	-49.30	247.44	5.80	-43.50
COC1=C2C(C(=O)NC3=N[N-]N=N3)=CSC2=CC=C1	REAL250004580977	1	27	-1.0	-49.19	247.54	5.79	-43.40
CCOC1=CC=C(Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL250004580978	0	26	-1.0	-49.86	250.85	3.94	-45.92
CCOC1=CC=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004580978	1	26	-1.0	-49.79	250.94	3.93	-45.86
O=C(NC1=NN=N[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL250004580979	0	27	-1.0	-52.61	255.07	3.63	-48.98
O=C(NC1=N[N-]N=N1)C1=COC(CN2C=CC=N2)=C1	REAL250004580979	1	27	-1.0	-52.53	255.17	3.62	-48.91
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004580980	0	24	-1.0	-50.68	242.78	3.56	-47.12
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004580980	1	24	-1.0	-50.64	242.88	3.53	-47.11
O=C(NC1=N[N-]N=N1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004580981	0	29	-1.0	-47.31	240.86	-0.80	-48.11
O=C(NC1=NN=N[N-]1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004580981	1	29	-1.0	-47.39	240.77	-0.79	-48.18
CN(C)C1=NC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C2O1	REAL250004580982	0	30	-1.0	-56.98	266.48	2.61	-54.37
CN(C)C1=NC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C2O1	REAL250004580982	1	30	-1.0	-56.88	266.58	2.60	-54.28
CS(C)(=O)=NC1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004580983	0	27	-1.0	-64.64	262.86	1.23	-63.41
CS(C)(=O)=NC1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004580983	1	27	-1.0	-64.66	262.76	1.23	-63.43
CN1CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004580984	0	32	-1.0	-46.80	260.82	4.26	-42.54
CN1CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004580984	1	32	-1.0	-46.73	260.91	4.24	-42.49
O=C1NC(=O)C2=CC=CC=C2C1=CNC1=NN=N[N-]1	REAL250004580985	0	26	-1.0	-35.49	235.45	3.04	-32.45
O=C1NC(=O)C2=CC=CC=C2C1=CNC1=N[N-]N=N1	REAL250004580985	1	26	-1.0	-35.33	235.52	3.04	-32.29
CCOC(=O)C(C#N)=CNC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004580986	0	32	-1.0	-44.94	296.73	5.17	-39.77
CCOC(=O)C(C#N)=CNC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004580986	1	32	-1.0	-44.84	296.79	5.16	-39.68
O=S(=O)(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004580988	0	28	-1.0	-44.36	254.90	0.86	-43.50
O=S(=O)(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004580988	1	28	-1.0	-44.37	254.87	0.87	-43.50
COCCS(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580989	0	31	-1.0	-43.95	286.84	-0.53	-44.48
COCCS(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580989	1	31	-1.0	-43.96	286.83	-0.53	-44.49
CC(C)N(C)S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580991	0	35	-1.0	-41.49	300.10	1.44	-40.05
CC(C)N(C)S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580991	1	35	-1.0	-41.45	300.13	1.44	-40.01
CN(C)S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580992	0	29	-1.0	-41.67	261.07	-0.04	-41.71
CN(C)S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580992	1	29	-1.0	-41.67	261.09	-0.04	-41.71
O=S(=O)(NC1=CC=C(C2=N[N-]N=N2)C=C1)N1CCCC1	REAL250004580993	0	33	-1.0	-41.72	289.32	1.18	-40.54
O=S(=O)(NC1=CC=C(C2=NN=N[N-]2)C=C1)N1CCCC1	REAL250004580993	1	33	-1.0	-41.71	289.35	1.17	-40.54
CCN(C)S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580994	0	32	-1.0	-41.47	282.90	0.88	-40.59
CCN(C)S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580994	1	32	-1.0	-41.44	282.92	0.87	-40.57
O=S(=O)(CCC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580995	0	34	-1.0	-43.57	306.30	2.75	-40.82
O=S(=O)(CCC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580995	1	34	-1.0	-43.67	306.27	2.76	-40.91
COC(C)CS(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004580997	0	34	-1.0	-43.80	305.90	0.39	-43.41
COC(C)CS(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580997	1	34	-1.0	-43.79	305.88	0.40	-43.39
O=S(=O)(CCCCF)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004581000	0	33	-1.0	-44.94	302.76	2.10	-42.84
O=S(=O)(CCCCF)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004581000	1	33	-1.0	-44.95	302.74	2.11	-42.84
CS(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004581001	0	25	-1.0	-42.06	238.01	-2.34	-44.40
O=C1[N-]N=NN1C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL250004581002	0	29	-1.0	-43.59	269.14	-0.58	-44.17
COCCS(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004581003	0	32	-1.0	-41.84	293.31	-2.37	-44.21
CN(C)S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004581004	0	30	-1.0	-42.27	268.29	-1.92	-44.19
CCN(C)S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004581005	0	33	-1.0	-41.94	289.42	-0.97	-42.91
CS(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004581006	0	25	-1.0	-40.97	234.27	-2.23	-43.20
O=C1[N-]N=NN1C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL250004581007	0	29	-1.0	-39.93	265.18	-0.46	-40.39
COCCS(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004581008	0	32	-1.0	-41.04	289.41	-2.25	-43.29
CN(C)S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004581009	0	30	-1.0	-39.06	269.00	-1.79	-40.85
CCN(C)S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004581010	0	33	-1.0	-38.59	288.69	-0.95	-39.54
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCC1	REAL250004581011	0	41	-1.0	-46.38	326.38	4.62	-41.76
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCC1	REAL250004581011	1	41	-1.0	-46.43	326.43	4.63	-41.80
CN(CC1=NC=CN1C(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004581012	0	35	-1.0	-56.79	303.59	3.93	-52.86
CN(CC1=NC=CN1C(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004581012	1	35	-1.0	-56.83	303.65	3.95	-52.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC(=O)NC2=C1	REAL250004581013	0	32	-1.0	-52.02	284.81	0.88	-51.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC(=O)NC2=C1	REAL250004581013	1	32	-1.0	-52.01	284.87	0.89	-51.12
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=CC=CC=C21	REAL250004581014	0	32	-1.0	-54.40	282.11	3.26	-51.14
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=CC=CC=C21	REAL250004581014	1	32	-1.0	-54.39	282.17	3.28	-51.11
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=C1C=CO2	REAL250004581015	0	36	-1.0	-50.25	297.50	3.35	-46.90
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=C1C=CO2	REAL250004581015	1	36	-1.0	-50.31	297.56	3.37	-46.94
O=C(CCCC1=N[N-]N=N1)NCCC(=O)N1CCOCC1	REAL250004581016	0	40	-1.0	-57.67	329.16	0.34	-57.33
O=C(CCCC1=NN=N[N-]1)NCCC(=O)N1CCOCC1	REAL250004581016	1	40	-1.0	-57.71	329.21	0.36	-57.35
CC1=CSC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004581017	0	34	-1.0	-50.37	307.17	1.96	-48.41
CC1=CSC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004581017	1	34	-1.0	-50.40	307.23	1.98	-48.42
CN(CC1=CC=C(Cl)S1)C(=O)CCCC1=N[N-]N=N1	REAL250004581018	0	32	-1.0	-49.37	304.45	5.31	-44.06
CN(CC1=CC=C(Cl)S1)C(=O)CCCC1=NN=N[N-]1	REAL250004581018	1	32	-1.0	-49.38	304.51	5.33	-44.05
N#CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581019	0	34	-1.0	-55.11	303.73	3.36	-51.75
N#CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581019	1	34	-1.0	-55.13	303.78	3.37	-51.76
CN(CCOC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581020	0	39	-1.0	-47.36	324.85	5.27	-42.09
CN(CCOC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581020	1	39	-1.0	-47.32	324.91	5.29	-42.03
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004581021	0	36	-1.0	-46.71	304.44	3.40	-43.31
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004581021	1	36	-1.0	-46.73	304.50	3.41	-43.32
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004581022	0	36	-1.0	-36.50	315.05	3.19	-33.31
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004581022	1	36	-1.0	-36.51	315.12	3.19	-33.32
CC1=NN(CCCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004581023	0	41	-1.0	-50.38	344.76	3.28	-47.10
CC1=NN(CCCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004581023	1	41	-1.0	-50.37	344.82	3.29	-47.08
COC1=CC=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581024	0	39	-1.0	-48.12	320.05	5.08	-43.04
COC1=CC=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581024	1	39	-1.0	-48.13	320.11	5.10	-43.03
CCC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581025	0	41	-1.0	-49.13	339.17	7.03	-42.10
CCC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581025	1	41	-1.0	-49.17	339.23	7.04	-42.13
CN(CC1=CC=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581026	0	35	-1.0	-46.53	302.69	5.66	-40.87
CN(CC1=CC=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581026	1	35	-1.0	-46.57	302.74	5.67	-40.90
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCNC(=O)C1	REAL250004581027	0	33	-1.0	-53.54	275.53	2.19	-51.35
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCNC(=O)C1	REAL250004581027	1	33	-1.0	-53.34	275.71	2.26	-51.08
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCNC(=O)C1	REAL250004581028	0	30	-1.0	-40.08	261.61	-0.03	-40.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCNC(=O)C1	REAL250004581028	1	30	-1.0	-40.08	261.68	-0.01	-40.09
CC1=CC=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581029	0	38	-1.0	-48.61	311.88	6.77	-41.84
CC1=CC=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581029	1	38	-1.0	-48.61	311.94	6.79	-41.82
CC1=CC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004581030	0	38	-1.0	-53.52	318.79	4.70	-48.82
CC1=CC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004581030	1	38	-1.0	-53.50	318.84	4.71	-48.79
C#CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581031	0	31	-1.0	-51.96	280.27	4.56	-47.40
C#CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581031	1	31	-1.0	-52.00	280.33	4.57	-47.43
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581032	0	31	-1.0	-38.85	291.14	4.34	-34.51
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581032	1	31	-1.0	-38.85	291.20	4.34	-34.51
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004581033	0	32	-1.0	-48.19	280.42	0.09	-48.10
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004581033	1	32	-1.0	-48.17	280.36	0.08	-48.09
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004581034	0	32	-1.0	-35.76	290.79	-0.12	-35.88
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004581034	1	32	-1.0	-35.82	290.72	-0.13	-35.95
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)C=C1	REAL250004581035	0	35	-1.0	-48.35	317.31	4.77	-43.58
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)C=C1	REAL250004581035	1	35	-1.0	-48.37	317.37	4.78	-43.59
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CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004581054	0	38	-1.0	-53.27	299.69	6.79	-46.48
CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004581054	1	38	-1.0	-54.13	299.64	6.74	-47.39
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004581055	0	35	-1.0	-35.15	285.75	4.41	-30.74
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004581055	1	35	-1.0	-35.15	285.82	4.42	-30.73
CC1=CC=CC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581056	0	36	-1.0	-47.04	307.95	2.87	-44.17
CC1=CC=CC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581056	1	36	-1.0	-47.04	308.01	2.88	-44.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=CN=C21	REAL250004581057	0	34	-1.0	-50.04	293.63	3.91	-46.13
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COC(=O)CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581058	0	40	-1.0	-50.23	339.13	3.60	-46.63
COC(=O)CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581058	1	40	-1.0	-50.23	339.19	3.61	-46.62
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004581059	0	35	-1.0	-49.02	307.44	4.47	-44.55
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004581059	1	35	-1.0	-49.04	307.50	4.48	-44.56
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004581060	0	35	-1.0	-46.76	309.27	4.43	-42.33
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004581060	1	35	-1.0	-46.78	309.33	4.45	-42.33
CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581061	0	35	-1.0	-47.77	296.18	4.79	-42.98
CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581061	1	35	-1.0	-47.77	296.23	4.81	-42.96
CCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581062	0	35	-1.0	-35.85	306.83	4.60	-31.25
CCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581062	1	35	-1.0	-36.28	306.47	4.58	-31.70
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CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004581066	1	34	-1.0	-45.97	292.83	4.74	-41.23
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CCCCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581069	0	41	-1.0	-46.49	339.20	2.84	-43.65
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N#CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581078	0	30	-1.0	-39.29	284.51	3.55	-35.74
N#CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581078	1	30	-1.0	-39.34	284.44	3.55	-35.79
COC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004581079	0	36	-1.0	-48.25	307.53	2.82	-45.43
COC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004581079	1	36	-1.0	-48.29	307.59	2.83	-45.46
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC)=C1	REAL250004581080	0	37	-1.0	-47.59	310.49	2.07	-45.52
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC)=C1	REAL250004581080	1	37	-1.0	-47.63	310.55	2.09	-45.54
CCOCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581082	0	38	-1.0	-52.44	320.95	4.14	-48.30
CCOCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581082	1	38	-1.0	-52.21	321.01	4.16	-48.05
CCOCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581083	0	35	-1.0	-35.99	306.79	1.05	-34.94
CCOCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581083	1	35	-1.0	-35.94	306.86	1.07	-34.87
CC(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581084	0	38	-1.0	-48.78	313.47	5.27	-43.51
CC(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581084	1	38	-1.0	-48.78	313.52	5.28	-43.50
CCCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581085	0	38	-1.0	-47.93	317.39	5.58	-42.35
CCCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581085	1	38	-1.0	-47.97	317.44	5.60	-42.37
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COC1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004581087	0	39	-1.0	-49.76	328.91	3.61	-46.15
COC1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004581087	1	39	-1.0	-49.74	328.97	3.62	-46.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CO)=C1	REAL250004581088	0	33	-1.0	-49.53	285.81	0.69	-48.84
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CCCCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581090	0	40	-1.0	-54.28	318.28	7.45	-46.83
CCCCN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581090	1	40	-1.0	-54.43	318.41	7.51	-46.92
CCCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581091	0	37	-1.0	-35.78	306.24	5.83	-29.95
CCCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581091	1	37	-1.0	-35.80	306.31	5.85	-29.95
CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004581092	0	38	-1.0	-46.35	296.33	4.42	-41.93
CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004581092	1	38	-1.0	-46.34	296.39	4.43	-41.91
CC1CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581093	0	38	-1.0	-35.28	306.92	4.21	-31.07
CC1CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581093	1	38	-1.0	-35.22	306.99	4.23	-30.99
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=C1	REAL250004581094	0	33	-1.0	-49.58	292.53	2.92	-46.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=C1	REAL250004581094	1	33	-1.0	-49.54	292.59	2.94	-46.60
CNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581095	0	36	-1.0	-50.51	309.65	1.64	-48.87
CNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581095	1	36	-1.0	-50.55	309.70	1.66	-48.89
NC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004581096	0	36	-1.0	-54.97	292.50	0.26	-54.71
NC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004581096	1	36	-1.0	-54.98	292.56	0.27	-54.71
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004581097	0	34	-1.0	-46.91	292.97	2.73	-44.18
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004581097	1	34	-1.0	-46.96	293.03	2.74	-44.22
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004581098	0	34	-1.0	-38.36	303.56	2.53	-35.83
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004581098	1	34	-1.0	-38.32	303.63	2.54	-35.78
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004581099	0	35	-1.0	-47.47	313.30	4.82	-42.65
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004581099	1	35	-1.0	-47.47	313.35	4.84	-42.63
CC1=CC=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004581100	0	38	-1.0	-46.82	310.90	4.81	-42.01
CC1=CC=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004581100	1	38	-1.0	-46.78	310.96	4.83	-41.95
CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004581101	0	35	-1.0	-46.04	296.21	4.28	-41.76
CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004581101	1	35	-1.0	-46.03	296.26	4.29	-41.74
CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581102	0	35	-1.0	-35.49	306.81	4.06	-31.43
CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581102	1	35	-1.0	-35.45	306.88	4.06	-31.39
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=C1F	REAL250004581103	0	35	-1.0	-50.00	306.15	4.28	-45.72
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=C1F	REAL250004581103	1	35	-1.0	-50.03	306.20	4.30	-45.73
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCCC1	REAL250004581104	0	39	-1.0	-45.86	317.68	2.47	-43.39
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCCC1	REAL250004581104	1	39	-1.0	-45.86	317.73	2.48	-43.38
CC(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581105	0	34	-1.0	-52.54	284.30	4.86	-47.68
CC(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581105	1	34	-1.0	-52.32	284.36	4.88	-47.44
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581106	0	36	-1.0	-47.04	308.58	2.78	-44.26
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581106	1	36	-1.0	-47.07	308.64	2.79	-44.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(Cl)=C1	REAL250004581107	0	29	-1.0	-45.48	275.60	3.93	-41.55
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250004581107	1	29	-1.0	-45.50	275.65	3.94	-41.56
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004581108	0	37	-1.0	-51.52	311.99	1.97	-49.55
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004581108	1	37	-1.0	-51.54	312.05	1.98	-49.56
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004581109	0	35	-1.0	-48.42	296.08	4.69	-43.73
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004581109	1	35	-1.0	-48.46	296.14	4.71	-43.75
CC1=CC(C)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581110	0	35	-1.0	-36.37	306.74	4.50	-31.87
CC1=CC(C)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581110	1	35	-1.0	-36.40	306.67	4.49	-31.91
NC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581111	0	36	-1.0	-55.82	292.49	0.27	-55.55
NC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581111	1	36	-1.0	-55.87	292.54	0.29	-55.58
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1F	REAL250004581112	0	29	-1.0	-43.67	275.67	3.98	-39.69
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1F	REAL250004581112	1	29	-1.0	-43.69	275.72	4.00	-39.69
CC1=CC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581113	0	32	-1.0	-50.81	277.22	4.28	-46.53
CC1=CC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581113	1	32	-1.0	-50.82	277.28	4.29	-46.53
CC1=CC=C(F)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581114	0	32	-1.0	-37.02	287.84	4.08	-32.94
CC1=CC=C(F)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581114	1	32	-1.0	-37.04	287.78	4.07	-32.97
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581115	0	35	-1.0	-48.13	295.88	4.80	-43.33
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581115	1	35	-1.0	-48.18	295.94	4.82	-43.36
CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004581116	0	35	-1.0	-35.79	306.54	4.60	-31.19
CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004581116	1	35	-1.0	-35.86	306.47	4.58	-31.28
O=C(NC1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581117	0	35	-1.0	-53.41	287.57	5.52	-47.89
O=C(NC1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581117	1	35	-1.0	-53.21	287.67	5.55	-47.66
O=C(NC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581118	0	32	-1.0	-35.11	273.79	2.42	-32.69
O=C(NC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581118	1	32	-1.0	-35.14	273.86	2.43	-32.71
O=C(CCCC1=N[N-]N=N1)NC1CCCCCCC1	REAL250004581119	0	41	-1.0	-47.06	303.71	3.97	-43.09
O=C(CCCC1=NN=N[N-]1)NC1CCCCCCC1	REAL250004581119	1	41	-1.0	-47.10	303.76	3.99	-43.11
COC1=CC=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581120	0	36	-1.0	-48.15	303.23	3.45	-44.70
COC1=CC=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581120	1	36	-1.0	-48.21	303.29	3.46	-44.75
CCOC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004581121	0	41	-1.0	-51.37	333.27	5.14	-46.23
CCOC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004581121	1	41	-1.0	-51.38	333.33	5.15	-46.23
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC=C1	REAL250004581122	0	38	-1.0	-47.17	322.08	5.03	-42.14
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC=C1	REAL250004581122	1	38	-1.0	-47.20	322.13	5.04	-42.16
COC1=CC=C(OC)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581123	0	37	-1.0	-51.41	310.46	2.07	-49.34
COC1=CC=C(OC)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581123	1	37	-1.0	-51.44	310.52	2.08	-49.36
CCC(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581124	0	37	-1.0	-52.88	299.01	5.75	-47.13
CCC(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581124	1	37	-1.0	-52.64	299.08	5.77	-46.87
CCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581125	0	34	-1.0	-35.30	284.85	2.64	-32.66
CCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581125	1	34	-1.0	-35.26	284.93	2.65	-32.61
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004581126	0	32	-1.0	-51.36	279.71	4.07	-47.29
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004581126	1	32	-1.0	-51.34	279.77	4.08	-47.26
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL250004581127	0	32	-1.0	-37.53	290.65	3.86	-33.67
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL250004581127	1	32	-1.0	-37.56	290.58	3.84	-33.72
O=C(CCCC1=N[N-]N=N1)NCCC1=CNC2=CC=CC=C12	REAL250004581128	0	39	-1.0	-51.65	332.49	4.30	-47.35
O=C(CCCC1=NN=N[N-]1)NCCC1=CNC2=CC=CC=C12	REAL250004581128	1	39	-1.0	-51.74	332.55	4.32	-47.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CC=CC=C21	REAL250004581129	0	39	-1.0	-49.02	312.44	5.17	-43.85
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CC=CC=C21	REAL250004581129	1	39	-1.0	-49.00	312.50	5.19	-43.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=N1	REAL250004581130	0	34	-1.0	-51.91	294.77	2.47	-49.44
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=N1	REAL250004581130	1	34	-1.0	-51.93	294.82	2.48	-49.45
O=C(NCCC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581131	0	34	-1.0	-38.94	305.37	2.26	-36.68
O=C(NCCC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581131	1	34	-1.0	-38.96	305.44	2.27	-36.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CS1	REAL250004581132	0	29	-1.0	-45.70	269.31	2.57	-43.13
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CS1	REAL250004581132	1	29	-1.0	-45.72	269.37	2.59	-43.13
O=C(NCC1=CC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581133	0	29	-1.0	-35.26	279.90	2.37	-32.89
O=C(NCC1=CC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581133	1	29	-1.0	-35.24	279.97	2.37	-32.87
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004581134	0	36	-1.0	-48.79	301.38	3.26	-45.53
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004581134	1	36	-1.0	-48.83	301.43	3.28	-45.55
O=C(NC1=CC=CC(O)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581135	0	33	-1.0	-57.69	288.93	3.43	-54.26
O=C(NC1=CC=CC(O)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581135	1	33	-1.0	-58.23	288.44	3.43	-54.80
O=C(NC1=CC=CC(O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581136	0	30	-1.0	-38.32	274.60	0.29	-38.03
O=C(NC1=CC=CC(O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581136	1	30	-1.0	-38.32	274.67	0.30	-38.02
COC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581137	0	35	-1.0	-49.18	307.99	4.01	-45.17
COC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581137	1	35	-1.0	-49.23	308.05	4.02	-45.21
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1	REAL250004581138	0	33	-1.0	-52.90	270.51	3.70	-49.20
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1	REAL250004581138	1	33	-1.0	-52.03	270.04	3.73	-48.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1	REAL250004581139	0	30	-1.0	-34.96	255.62	1.45	-33.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1	REAL250004581139	1	30	-1.0	-35.01	255.74	1.47	-33.54
CCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581140	0	34	-1.0	-54.53	276.74	5.97	-48.56
CCN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581140	1	34	-1.0	-52.95	276.98	5.98	-46.97
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581141	0	36	-1.0	-50.04	291.65	2.49	-47.55
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581141	1	36	-1.0	-50.01	291.71	2.50	-47.51
CC(C)(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581142	0	41	-1.0	-48.06	329.44	5.67	-42.39
CC(C)(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581142	1	41	-1.0	-48.03	329.50	5.69	-42.34
CC(=O)NC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581143	0	36	-1.0	-52.36	309.13	2.26	-50.10
CC(=O)NC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581143	1	36	-1.0	-52.36	309.19	2.28	-50.08
O=C(NC1=CC=CC=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581144	0	32	-1.0	-50.78	282.44	6.39	-44.39
O=C(NC1=CC=CC=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581144	1	32	-1.0	-50.60	282.54	6.40	-44.20
O=C(NC1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581145	0	29	-1.0	-36.51	269.56	3.27	-33.24
O=C(NC1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581145	1	29	-1.0	-36.54	269.50	3.26	-33.28
CC1=C(Cl)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581146	0	32	-1.0	-45.82	284.85	4.64	-41.18
CC1=C(Cl)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581146	1	32	-1.0	-45.80	284.91	4.65	-41.15
CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581147	0	34	-1.0	-52.74	286.92	4.89	-47.85
CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581147	1	34	-1.0	-52.50	286.98	4.91	-47.59
CC1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004581148	0	38	-1.0	-46.44	298.51	4.78	-41.66
CC1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004581148	1	38	-1.0	-46.45	298.56	4.80	-41.65
CC1CC(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004581149	0	38	-1.0	-35.09	301.59	5.28	-29.81
CC1CC(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004581149	1	38	-1.0	-35.04	301.66	5.29	-29.75
O=C(NCC1=CC=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581150	0	34	-1.0	-53.68	298.36	4.55	-49.13
O=C(NCC1=CC=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581150	1	34	-1.0	-53.55	298.46	4.56	-48.99
O=C(NCC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581151	0	31	-1.0	-37.99	284.63	1.43	-36.56
O=C(NCC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581151	1	31	-1.0	-38.01	284.70	1.43	-36.58
O=C(NCC1=CC=NC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581152	0	34	-1.0	-51.69	298.30	4.63	-47.06
O=C(NCC1=CC=NC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581152	1	34	-1.0	-51.56	298.78	4.61	-46.95
O=C(NCC1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581153	0	31	-1.0	-36.58	284.55	1.49	-35.09
O=C(NCC1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581153	1	31	-1.0	-36.54	284.62	1.51	-35.03
O=C(NCC1=CC=CN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581154	0	34	-1.0	-52.23	298.29	4.59	-47.64
O=C(NCC1=CC=CN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581154	1	34	-1.0	-52.00	298.39	4.62	-47.38
O=C(NCC1=CC=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581155	0	31	-1.0	-37.02	284.51	1.49	-35.53
O=C(NCC1=CC=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581155	1	31	-1.0	-37.00	284.57	1.49	-35.51
CCCN(CCC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581156	0	40	-1.0	-53.87	319.14	7.44	-46.43
CCCN(CCC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581156	1	40	-1.0	-52.29	319.37	7.46	-44.83
CCCN(CCC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581157	0	37	-1.0	-35.58	306.47	5.73	-29.85
CCCN(CCC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581157	1	37	-1.0	-35.54	306.54	5.73	-29.81
CCOC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581158	0	41	-1.0	-51.41	333.28	5.16	-46.25
CCOC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581158	1	41	-1.0	-51.46	333.34	5.18	-46.28
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COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581169	0	39	-1.0	-49.84	330.09	3.55	-46.29
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CC(CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004581170	0	41	-1.0	-47.57	341.83	6.02	-41.55
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CC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581172	1	34	-1.0	-59.97	295.85	3.87	-56.10
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CN(CC1=CC=CC=C1Cl)C(=O)CCCC1=N[N-]N=N1	REAL250004581181	0	35	-1.0	-48.20	308.15	6.64	-41.56
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CN1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004581200	0	37	-1.0	-37.60	295.67	3.64	-33.96
CN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004581200	1	37	-1.0	-37.75	295.57	3.60	-34.15
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004581201	0	34	-1.0	-34.92	280.76	1.38	-33.54
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004581201	1	34	-1.0	-34.88	280.82	1.39	-33.49
COCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581202	0	32	-1.0	-52.89	277.52	2.43	-50.46
COCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581202	1	32	-1.0	-52.71	277.59	2.46	-50.25
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O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=NC=C1	REAL250004581203	1	32	-1.0	-47.18	287.13	0.46	-46.72
CCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581204	0	34	-1.0	-53.46	285.17	5.13	-48.33
CCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581204	1	34	-1.0	-53.21	285.25	5.15	-48.06
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O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL250004581205	1	36	-1.0	-47.12	295.51	5.78	-41.34
CCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581206	0	37	-1.0	-52.71	308.42	5.67	-47.04
CCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581206	1	37	-1.0	-52.47	308.48	5.69	-46.78
CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581207	0	34	-1.0	-34.85	294.26	2.58	-32.27
CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581207	1	34	-1.0	-34.82	294.33	2.59	-32.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004581210	0	35	-1.0	-46.82	296.56	4.31	-42.51
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004581210	1	35	-1.0	-46.83	296.62	4.33	-42.50
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004581211	0	35	-1.0	-35.69	307.16	4.11	-31.58
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004581211	1	35	-1.0	-35.64	307.22	4.13	-31.51
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(Cl)=C1	REAL250004581212	0	35	-1.0	-48.63	317.31	4.76	-43.87
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(Cl)=C1	REAL250004581212	1	35	-1.0	-48.64	317.37	4.77	-43.87
CC(=O)NCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581213	0	35	-1.0	-55.36	304.43	1.70	-53.66
CC(=O)NCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581213	1	35	-1.0	-55.17	304.49	1.72	-53.45
CC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581214	0	32	-1.0	-41.17	290.58	-1.40	-42.57
CC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581214	1	32	-1.0	-41.21	290.64	-1.39	-42.60
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O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1	REAL250004581215	1	32	-1.0	-45.53	295.87	4.01	-41.52
CC(C)N(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004581217	0	35	-1.0	-52.38	286.06	0.26	-52.12
CC(C)N(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004581217	1	35	-1.0	-52.39	286.12	0.28	-52.11
CC(C)N(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581218	0	35	-1.0	-41.94	293.89	0.81	-41.13
CC(C)N(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581218	1	35	-1.0	-41.98	293.96	0.83	-41.15
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC=C1	REAL250004581219	0	36	-1.0	-47.87	308.98	3.09	-44.78
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CC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1CCOCC1	REAL250004581220	0	44	-1.0	-46.13	334.81	0.38	-45.75
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1CCOCC1	REAL250004581220	1	44	-1.0	-46.15	334.87	0.39	-45.76
COC1=CC=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004581221	0	39	-1.0	-50.02	323.88	3.71	-46.31
COC1=CC=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004581221	1	39	-1.0	-50.03	323.93	3.72	-46.31
CN(C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004581222	0	40	-1.0	-48.73	325.98	0.94	-47.79
CN(C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004581222	1	40	-1.0	-48.77	326.03	0.95	-47.82
CN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581223	0	35	-1.0	-46.42	313.01	6.10	-40.32
CN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581223	1	35	-1.0	-46.44	313.07	6.11	-40.33
CN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581224	0	34	-1.0	-48.19	291.02	3.81	-44.38
CN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581224	1	34	-1.0	-48.19	290.96	3.80	-44.39
CN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581225	0	34	-1.0	-37.36	299.27	4.21	-33.15
CN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581225	1	34	-1.0	-37.44	299.20	4.19	-33.25
CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581226	0	35	-1.0	-49.04	296.27	5.59	-43.45
CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581226	1	35	-1.0	-49.06	296.33	5.60	-43.46
CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581227	0	35	-1.0	-36.91	304.15	5.98	-30.93
CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581227	1	35	-1.0	-36.85	304.22	6.00	-30.85
CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004581228	0	38	-1.0	-46.16	290.01	4.87	-41.29
CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004581228	1	38	-1.0	-46.20	290.07	4.88	-41.32
CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581229	0	38	-1.0	-35.03	297.28	5.07	-29.96
CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581229	1	38	-1.0	-34.95	297.35	5.09	-29.86
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O=C(NCC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581231	1	32	-1.0	-35.51	289.74	3.27	-32.24
COCCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004581232	0	36	-1.0	-47.76	311.74	-1.97	-49.73
COCCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004581232	1	36	-1.0	-47.76	311.80	-1.95	-49.71
NC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581233	0	33	-1.0	-50.26	287.72	0.14	-50.12
NC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581233	1	33	-1.0	-50.30	287.77	0.16	-50.14
CC(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581234	0	37	-1.0	-52.75	304.49	5.40	-47.35
CC(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581234	1	37	-1.0	-52.55	304.55	5.42	-47.13
CC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581235	0	34	-1.0	-34.83	290.33	2.31	-32.52
CC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581235	1	34	-1.0	-34.80	290.40	2.32	-32.48
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(Cl)=C1	REAL250004581236	0	32	-1.0	-45.14	288.49	4.64	-40.50
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(Cl)=C1	REAL250004581236	1	32	-1.0	-45.15	288.55	4.66	-40.49
COCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004581241	0	39	-1.0	-46.79	320.14	1.86	-44.93
COCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004581241	1	39	-1.0	-46.78	320.19	1.87	-44.91
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004581242	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004581242	1	33	-1.0	-56.70	295.41	3.80	-52.90
CCCCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581243	0	41	-1.0	-47.88	338.88	6.36	-41.52
CCCCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581243	1	41	-1.0	-47.91	338.94	6.38	-41.53
CC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581244	0	38	-1.0	-48.05	313.46	5.27	-42.78
CC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581244	1	38	-1.0	-48.08	313.52	5.28	-42.80
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1	REAL250004581245	0	32	-1.0	-38.96	265.50	5.41	-33.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1	REAL250004581245	1	32	-1.0	-38.81	265.59	5.42	-33.39
O=C(NC1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581246	0	38	-1.0	-53.99	305.78	6.10	-47.89
O=C(NC1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581246	1	38	-1.0	-53.65	306.25	6.07	-47.58
O=C(NC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581247	0	35	-1.0	-35.24	292.02	2.95	-32.29
O=C(NC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581247	1	35	-1.0	-35.23	292.08	2.98	-32.25
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=C1	REAL250004581248	0	35	-1.0	-48.30	300.58	4.25	-44.05
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=C1	REAL250004581248	1	35	-1.0	-48.28	300.63	4.26	-44.02
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O=C(NCC1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581251	1	33	-1.0	-36.90	286.60	0.56	-36.34
O=C(NC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581253	0	32	-1.0	-54.72	278.01	6.22	-48.50
O=C(NC1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581253	1	32	-1.0	-54.49	278.06	6.25	-48.24
O=C(NC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581254	0	29	-1.0	-36.01	263.64	3.15	-32.86
O=C(NC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581254	1	29	-1.0	-36.06	263.58	3.14	-32.92
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL250004581255	0	35	-1.0	-54.92	286.50	7.19	-47.73
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL250004581255	1	35	-1.0	-54.76	286.59	7.20	-47.56
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004581256	0	32	-1.0	-36.22	272.76	5.11	-31.11
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004581256	1	32	-1.0	-36.14	272.82	5.12	-31.02
CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004581257	0	35	-1.0	-54.57	299.55	6.89	-47.68
CC1=CC=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004581257	1	35	-1.0	-54.83	299.45	6.92	-47.91
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581258	0	32	-1.0	-36.10	285.35	3.83	-32.27
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581258	1	32	-1.0	-36.33	284.98	3.82	-32.51
CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581259	0	35	-1.0	-54.38	296.14	7.15	-47.23
CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581259	1	35	-1.0	-54.21	296.24	7.17	-47.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581260	0	32	-1.0	-36.06	281.47	4.02	-32.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581260	1	32	-1.0	-36.08	281.40	4.00	-32.08
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581261	0	33	-1.0	-52.35	282.49	2.66	-49.69
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581261	1	33	-1.0	-52.31	282.56	2.67	-49.64
COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581262	0	33	-1.0	-38.84	293.14	2.45	-36.39
COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581262	1	33	-1.0	-38.90	293.07	2.44	-36.46
COC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581263	0	33	-1.0	-47.72	281.00	2.79	-44.93
COC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581263	1	33	-1.0	-47.68	281.06	2.81	-44.87
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581264	0	33	-1.0	-37.79	292.47	2.56	-35.23
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581264	1	33	-1.0	-37.85	292.40	2.55	-35.30
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004581265	0	35	-1.0	-48.31	292.19	4.88	-43.43
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004581265	1	35	-1.0	-48.28	292.25	4.89	-43.39
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004581266	0	35	-1.0	-36.14	302.87	4.68	-31.46
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004581266	1	35	-1.0	-36.16	302.80	4.67	-31.49
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581267	0	36	-1.0	-49.51	304.64	3.57	-45.94
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581267	1	36	-1.0	-49.49	304.69	3.58	-45.91
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004581268	0	31	-1.0	-57.86	281.21	4.03	-53.83
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004581268	1	31	-1.0	-57.86	281.26	4.05	-53.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1Cl	REAL250004581269	0	29	-1.0	-45.24	267.08	3.98	-41.26
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1Cl	REAL250004581269	1	29	-1.0	-45.25	267.14	3.99	-41.26
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581270	0	34	-1.0	-57.34	298.99	4.87	-52.47
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581270	1	34	-1.0	-57.39	299.06	4.89	-52.50
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL250004581271	0	35	-1.0	-54.36	299.55	6.90	-47.46
CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL250004581271	1	35	-1.0	-54.14	299.57	6.92	-47.22
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004581272	0	32	-1.0	-36.08	285.05	3.83	-32.25
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004581272	1	32	-1.0	-36.07	284.98	3.82	-32.25
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581273	0	33	-1.0	-49.69	282.51	2.65	-47.04
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581273	1	33	-1.0	-49.68	282.57	2.67	-47.01
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004581274	0	33	-1.0	-36.80	293.16	2.45	-34.35
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004581274	1	33	-1.0	-36.84	293.09	2.43	-34.41
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1	REAL250004581275	0	29	-1.0	-49.63	269.73	3.88	-45.75
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1	REAL250004581275	1	29	-1.0	-49.67	269.79	3.89	-45.78
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581276	0	32	-1.0	-56.79	284.32	6.35	-50.44
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581276	1	32	-1.0	-57.69	283.83	6.36	-51.33
O=C(NC1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581277	0	29	-1.0	-37.15	270.06	3.22	-33.93
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CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004581278	0	32	-1.0	-49.88	288.45	4.47	-45.41
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004581278	1	32	-1.0	-49.90	288.51	4.48	-45.42
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1	REAL250004581279	0	35	-1.0	-48.96	299.13	5.64	-43.32
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL250004581279	1	35	-1.0	-48.96	299.19	5.66	-43.30
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1	REAL250004581280	0	29	-1.0	-47.04	269.73	3.88	-43.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1	REAL250004581280	1	29	-1.0	-47.05	269.79	3.89	-43.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL250004581281	0	32	-1.0	-45.67	292.00	4.35	-41.32
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL250004581281	1	32	-1.0	-45.71	292.06	4.37	-41.34
COC1=CC=C(Cl)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581282	0	33	-1.0	-48.54	297.72	3.29	-45.25
COC1=CC=C(Cl)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581282	1	33	-1.0	-48.60	297.78	3.31	-45.29
CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004581283	0	38	-1.0	-54.17	300.39	6.78	-47.39
CC1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004581283	1	38	-1.0	-54.00	300.47	6.80	-47.20
CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004581284	0	35	-1.0	-35.23	285.85	4.44	-30.79
CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004581284	1	35	-1.0	-35.18	285.92	4.44	-30.74
CCCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004581285	0	38	-1.0	-46.41	309.76	5.80	-40.61
CCCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004581285	1	38	-1.0	-46.40	309.82	5.81	-40.59
CCCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581286	0	38	-1.0	-35.58	316.76	6.52	-29.06
CCCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581286	1	38	-1.0	-35.61	316.83	6.53	-29.08
C=CCNC(=S)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581287	0	32	-1.0	-52.36	293.47	2.12	-50.24
C=CCNC(=S)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581287	1	32	-1.0	-52.40	293.53	2.14	-50.26
CC(C)NC(=S)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581288	0	34	-1.0	-52.71	299.58	2.26	-50.45
CC(C)NC(=S)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581288	1	34	-1.0	-52.73	299.63	2.27	-50.46
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1CCCCC1	REAL250004581289	0	41	-1.0	-51.36	332.44	1.55	-49.81
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1CCCCC1	REAL250004581289	1	41	-1.0	-51.36	332.50	1.56	-49.80
CC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581290	0	32	-1.0	-47.38	278.20	4.32	-43.06
CC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581290	1	32	-1.0	-47.40	278.26	4.33	-43.07
CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581291	0	32	-1.0	-34.76	287.88	4.07	-30.69
CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581291	1	32	-1.0	-34.77	287.80	4.07	-30.70
COC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581292	0	35	-1.0	-57.69	307.80	4.02	-53.67
COC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581292	1	35	-1.0	-57.69	307.86	4.04	-53.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1F	REAL250004581293	0	32	-1.0	-47.89	284.75	3.50	-44.39
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1F	REAL250004581293	1	32	-1.0	-47.89	284.81	3.51	-44.38
O=C(NCC1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581294	0	32	-1.0	-37.54	295.34	3.29	-34.25
O=C(NCC1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581294	1	32	-1.0	-37.51	295.41	3.29	-34.22
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NC=CC=C12	REAL250004581295	0	34	-1.0	-50.20	290.72	3.88	-46.32
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NC=CC=C12	REAL250004581295	1	34	-1.0	-50.18	290.66	3.87	-46.31
CC(C)C(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581296	0	35	-1.0	-49.77	300.80	3.41	-46.36
CC(C)C(=O)NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581296	1	35	-1.0	-49.61	300.87	3.43	-46.18
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581298	0	35	-1.0	-46.13	300.49	4.16	-41.97
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581298	1	35	-1.0	-46.13	300.54	4.17	-41.96
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004581299	0	35	-1.0	-35.58	311.08	3.94	-31.64
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004581299	1	35	-1.0	-35.57	311.15	3.95	-31.62
CC(C)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581300	0	38	-1.0	-46.66	316.47	2.01	-44.65
CC(C)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581300	1	38	-1.0	-46.66	316.53	2.02	-44.64
CC(C)OCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581301	0	38	-1.0	-35.89	327.07	1.80	-34.09
CC(C)OCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581301	1	38	-1.0	-35.91	327.13	1.81	-34.10
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CC=C1	REAL250004581302	0	36	-1.0	-48.09	316.51	2.92	-45.17
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CC=C1	REAL250004581302	1	36	-1.0	-48.15	316.56	2.93	-45.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC2=C1	REAL250004581303	0	36	-1.0	-48.57	298.82	5.26	-43.31
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC2=C1	REAL250004581303	1	36	-1.0	-48.60	298.88	5.27	-43.33
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004581304	0	33	-1.0	-47.36	283.93	1.30	-46.06
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004581304	1	33	-1.0	-47.31	283.99	1.31	-46.00
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(O)=C1	REAL250004581305	0	33	-1.0	-36.76	295.33	1.08	-35.68
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(O)=C1	REAL250004581305	1	33	-1.0	-36.72	295.40	1.09	-35.63
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581306	0	36	-1.0	-47.72	308.59	2.78	-44.94
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581306	1	36	-1.0	-47.71	308.65	2.79	-44.92
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581307	0	38	-1.0	-51.74	311.42	4.24	-47.50
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581307	1	38	-1.0	-51.75	311.48	4.25	-47.50
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004581308	0	33	-1.0	-51.90	298.80	3.20	-48.70
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004581308	1	33	-1.0	-51.88	298.86	3.22	-48.66
CNC(=O)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581309	0	35	-1.0	-46.95	298.04	3.11	-43.84
CNC(=O)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581309	1	35	-1.0	-46.75	298.14	3.13	-43.62
CNC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581310	0	32	-1.0	-43.78	283.54	0.87	-42.91
CNC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581310	1	32	-1.0	-43.76	283.61	0.88	-42.88
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004581311	0	34	-1.0	-47.27	291.55	2.53	-44.74
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004581311	1	34	-1.0	-47.28	291.49	2.52	-44.76
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL250004581312	0	34	-1.0	-37.58	302.08	2.31	-35.27
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL250004581312	1	34	-1.0	-37.56	302.15	2.32	-35.24
O=C(CCCC1=N[N-]N=N1)NC1CCOC2=CC=CC=C21	REAL250004581313	0	37	-1.0	-48.42	303.73	3.30	-45.12
O=C(CCCC1=NN=N[N-]1)NC1CCOC2=CC=CC=C21	REAL250004581313	1	37	-1.0	-48.39	303.78	3.31	-45.08
CC1=CC=CC(OCCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581314	0	39	-1.0	-47.93	330.39	3.77	-44.16
CC1=CC=CC(OCCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581314	1	39	-1.0	-47.95	330.45	3.78	-44.17
CSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581315	0	33	-1.0	-52.09	293.20	4.38	-47.71
CSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581315	1	33	-1.0	-52.08	293.26	4.40	-47.68
CC(CCC1=CC=CO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004581316	0	38	-1.0	-48.07	322.59	4.14	-43.93
CC(CCC1=CC=CO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004581316	1	38	-1.0	-48.07	322.65	4.15	-43.92
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=N1)C1CC1	REAL250004581318	0	38	-1.0	-50.09	313.05	5.57	-44.52
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=N1)C1CC1	REAL250004581318	1	38	-1.0	-50.07	313.11	5.59	-44.48
CC(C)NC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004581320	0	35	-1.0	-47.01	298.77	-0.23	-47.24
CC(C)NC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004581320	1	35	-1.0	-47.05	298.82	-0.21	-47.26
CC(C)NC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581321	0	35	-1.0	-40.18	309.36	-0.44	-40.62
CC(C)NC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581321	1	35	-1.0	-40.14	309.43	-0.43	-40.57
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004581322	0	38	-1.0	-46.78	326.97	4.81	-41.97
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004581322	1	38	-1.0	-46.84	327.02	4.83	-42.01
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004581323	0	36	-1.0	-46.71	290.01	2.78	-43.93
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004581323	1	36	-1.0	-46.73	290.07	2.79	-43.94
CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004581324	0	36	-1.0	-34.59	297.61	3.04	-31.55
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004581324	1	36	-1.0	-34.68	297.72	3.05	-31.63
CN(CC1=CC=C(Cl)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004581325	0	34	-1.0	-52.60	307.80	4.23	-48.37
CN(CC1=CC=C(Cl)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004581325	1	34	-1.0	-52.61	307.74	4.22	-48.39
O=C(CCCC1=N[N-]N=N1)NCCSC1=CC=CC=C1	REAL250004581326	0	36	-1.0	-49.00	319.38	4.69	-44.31
O=C(CCCC1=NN=N[N-]1)NCCSC1=CC=CC=C1	REAL250004581326	1	36	-1.0	-49.01	319.44	4.71	-44.30
CN(CC1=NC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004581327	0	35	-1.0	-45.60	294.07	3.97	-41.63
CN(CC1=NC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004581327	1	35	-1.0	-45.58	294.13	3.98	-41.60
CN(CC1=NC=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581328	0	35	-1.0	-44.26	300.54	4.26	-40.00
CN(CC1=NC=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581328	1	35	-1.0	-44.27	300.61	4.26	-40.01
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581329	0	40	-1.0	-47.11	331.60	3.90	-43.21
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581329	1	40	-1.0	-47.12	331.66	3.92	-43.20
N#CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581330	0	33	-1.0	-52.79	295.51	4.52	-48.27
N#CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581330	1	33	-1.0	-52.79	295.57	4.54	-48.25
CCN(CC)C(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581331	0	41	-1.0	-54.49	335.40	4.31	-50.18
CCN(CC)C(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581331	1	41	-1.0	-54.46	335.45	4.33	-50.13
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004581333	0	38	-1.0	-44.70	319.44	4.51	-40.19
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004581333	1	38	-1.0	-44.70	319.50	4.53	-40.17
CCCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004581334	0	35	-1.0	-46.81	299.64	-0.28	-47.09
CCCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004581334	1	35	-1.0	-46.81	299.70	-0.26	-47.07
CCCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581335	0	35	-1.0	-39.94	310.23	-0.49	-40.43
CCCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581335	1	35	-1.0	-39.90	310.30	-0.48	-40.38
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1CC1	REAL250004581336	0	33	-1.0	-46.86	288.25	-0.17	-47.03
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1CC1	REAL250004581336	1	33	-1.0	-46.89	288.31	-0.15	-47.04
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)NC1CC1	REAL250004581337	0	33	-1.0	-40.03	298.85	-0.38	-40.41
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)NC1CC1	REAL250004581337	1	33	-1.0	-40.04	298.92	-0.37	-40.41
CC(C)NC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581341	0	38	-1.0	-53.84	317.97	2.13	-51.71
CC(C)NC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581341	1	38	-1.0	-53.83	318.02	2.14	-51.69
CN1C=CC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581342	0	34	-1.0	-48.29	297.35	1.66	-46.63
CN1C=CC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581342	1	34	-1.0	-48.31	297.40	1.67	-46.64
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CN1	REAL250004581343	0	31	-1.0	-48.36	279.00	0.02	-48.34
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=CN1	REAL250004581343	1	31	-1.0	-48.35	279.06	0.04	-48.31
CN(C)C(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581346	0	35	-1.0	-54.54	293.62	2.39	-52.15
CN(C)C(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581346	1	35	-1.0	-54.54	293.68	2.41	-52.13
CN(C)C(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581347	0	35	-1.0	-43.95	301.31	2.79	-41.16
CN(C)C(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581347	1	35	-1.0	-43.88	301.38	2.80	-41.08
CC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581350	0	39	-1.0	-53.73	315.09	1.92	-51.81
CC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581350	1	39	-1.0	-53.75	315.15	1.93	-51.82
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC=CC=C21	REAL250004581351	0	35	-1.0	-48.86	295.59	5.76	-43.10
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=CC=C21	REAL250004581351	1	35	-1.0	-48.87	295.65	5.77	-43.10
CC1=CC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581352	0	32	-1.0	-46.94	288.52	4.76	-42.18
CC1=CC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581352	1	32	-1.0	-46.96	288.57	4.77	-42.19
NC(=O)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581353	0	33	-1.0	-50.67	282.94	0.61	-50.06
NC(=O)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581353	1	33	-1.0	-50.70	283.00	0.62	-50.08
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004581354	0	32	-1.0	-45.55	279.51	4.16	-41.39
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004581354	1	32	-1.0	-45.54	279.56	4.17	-41.37
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(F)=C1	REAL250004581355	0	32	-1.0	-36.22	290.98	3.94	-32.28
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(F)=C1	REAL250004581355	1	32	-1.0	-36.23	290.91	3.93	-32.30
CC1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581356	0	32	-1.0	-46.18	280.33	4.14	-42.04
CC1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581356	1	32	-1.0	-46.18	280.39	4.15	-42.03
CC1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004581357	0	32	-1.0	-36.57	290.98	3.94	-32.63
CC1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004581357	1	32	-1.0	-36.56	290.92	3.93	-32.63
CC1CCC2=CC=CC=C2N1C(=O)CCCC1=N[N-]N=N1	REAL250004581358	0	39	-1.0	-50.21	299.82	6.32	-43.89
CC1CCC2=CC=CC=C2N1C(=O)CCCC1=NN=N[N-]1	REAL250004581358	1	39	-1.0	-50.22	299.87	6.34	-43.88
CN(CC(=O)NC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004581359	0	36	-1.0	-53.82	307.45	2.19	-51.63
CN(CC(=O)NC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004581359	1	36	-1.0	-53.84	307.51	2.20	-51.64
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CC=C2S1	REAL250004581360	0	31	-1.0	-54.73	286.95	4.37	-50.36
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CC=C2S1	REAL250004581360	1	31	-1.0	-54.71	286.89	4.35	-50.36
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCC2)S1	REAL250004581361	0	32	-1.0	-54.34	285.39	3.94	-50.40
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCC2)S1	REAL250004581361	1	32	-1.0	-54.38	285.45	3.95	-50.43
CCC1=C(C)SC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004581362	0	34	-1.0	-46.03	300.06	3.55	-42.48
CCC1=C(C)SC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004581362	1	34	-1.0	-46.06	300.12	3.57	-42.49
CC1=CC(Cl)=CC=C1OC(=O)CCCC1=N[N-]N=N1	REAL250004581363	0	31	-1.0	-43.11	288.38	6.77	-36.34
CC1=CC(Cl)=CC=C1OC(=O)CCCC1=NN=N[N-]1	REAL250004581363	1	31	-1.0	-43.16	288.44	6.79	-36.37
CCOC1=CC=C(OC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581364	0	35	-1.0	-45.04	303.84	5.87	-39.17
CCOC1=CC=C(OC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581364	1	35	-1.0	-45.01	303.90	5.88	-39.13
CC(C1=CC=CC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004581365	0	38	-1.0	-48.40	307.01	6.00	-42.40
CC(C1=CC=CC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004581365	1	38	-1.0	-48.45	307.07	6.02	-42.43
CC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL250004581366	0	34	-1.0	-57.16	297.04	1.01	-56.15
CC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL250004581366	1	34	-1.0	-57.18	297.10	1.03	-56.15
CN1C=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004581367	0	32	-1.0	-54.40	279.35	5.02	-49.38
CN1C=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004581367	1	32	-1.0	-54.21	279.84	5.00	-49.21
CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004581368	0	29	-1.0	-39.69	265.68	1.91	-37.78
CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004581368	1	29	-1.0	-39.71	265.61	1.88	-37.83
CCN(CC(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581369	0	40	-1.0	-53.48	311.42	7.22	-46.26
CCN(CC(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581369	1	40	-1.0	-53.68	311.08	7.31	-46.37
CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581370	0	37	-1.0	-35.67	299.76	5.52	-30.15
CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581370	1	37	-1.0	-35.66	299.83	5.53	-30.13
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CC=C2N1	REAL250004581371	0	32	-1.0	-47.44	278.72	4.79	-42.65
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CC=C2N1	REAL250004581371	1	32	-1.0	-47.48	278.78	4.81	-42.67
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O=C(NC1=NC=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581372	1	28	-1.0	-58.55	264.32	4.86	-53.69
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O=C(NC1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581373	1	25	-1.0	-38.56	250.09	1.74	-36.82
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O=C(CCCC1=NN=N[N-]1)NCCCOC1CCCCC1	REAL250004581374	1	45	-1.0	-46.50	358.15	3.95	-42.55
COC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581375	0	34	-1.0	-49.01	296.13	2.04	-46.97
COC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581375	1	34	-1.0	-49.00	296.19	2.05	-46.95
COC(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581376	0	34	-1.0	-39.50	306.73	1.83	-37.67
COC(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581376	1	34	-1.0	-39.44	306.79	1.84	-37.60
O=C(CCCC1=N[N-]N=N1)NCCC1=NC2=CC=CC=C2N1	REAL250004581379	0	38	-1.0	-56.43	326.83	2.95	-53.48
O=C(CCCC1=NN=N[N-]1)NCCC1=NC2=CC=CC=C2N1	REAL250004581379	1	38	-1.0	-56.43	326.89	2.96	-53.47
CC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581380	0	34	-1.0	-54.94	294.34	3.77	-51.17
CC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581380	1	34	-1.0	-54.94	294.40	3.78	-51.16
CC1=NN(C)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581381	0	35	-1.0	-52.35	297.92	2.11	-50.24
CC1=NN(C)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581381	1	35	-1.0	-52.38	297.98	2.12	-50.26
CC1=NN(C)C(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581382	0	35	-1.0	-39.84	308.53	1.89	-37.95
CC1=NN(C)C(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581382	1	35	-1.0	-39.83	308.60	1.90	-37.93
CSC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581383	0	33	-1.0	-49.35	293.21	4.38	-44.97
CSC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581383	1	33	-1.0	-49.39	293.27	4.40	-44.99
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CNC=N2)C=C1	REAL250004581384	0	36	-1.0	-52.69	311.59	4.57	-48.12
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CNC=N2)C=C1	REAL250004581384	1	36	-1.0	-52.71	311.64	4.59	-48.12
CC(C)COCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581385	0	41	-1.0	-46.53	337.80	2.76	-43.77
CC(C)COCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581385	1	41	-1.0	-46.54	337.86	2.78	-43.76
CC(=O)NC1=CC=CC(OC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581386	0	35	-1.0	-54.15	308.45	4.56	-49.59
CC(=O)NC1=CC=CC(OC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581386	1	35	-1.0	-54.20	308.50	4.58	-49.62
CC(=O)NC1=CC=C(OC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004581387	0	35	-1.0	-51.51	308.75	4.54	-46.97
CC(=O)NC1=CC=C(OC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004581387	1	35	-1.0	-51.52	308.81	4.56	-46.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(F)(F)F)C=C1	REAL250004581388	0	32	-1.0	-47.34	291.72	4.36	-42.98
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(F)(F)F)C=C1	REAL250004581388	1	32	-1.0	-47.34	291.78	4.38	-42.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=C1	REAL250004581389	0	33	-1.0	-53.52	288.81	0.19	-53.33
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=C1	REAL250004581389	1	33	-1.0	-53.57	288.87	0.20	-53.37
CC(C)OC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004581390	0	37	-1.0	-53.24	316.74	2.85	-50.39
CC(C)OC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004581390	1	37	-1.0	-53.27	316.80	2.87	-50.40
COC1=CC=CC=C1OC(=O)CCCC1=N[N-]N=N1	REAL250004581391	0	32	-1.0	-47.53	282.33	5.38	-42.15
COC1=CC=CC=C1OC(=O)CCCC1=NN=N[N-]1	REAL250004581391	1	32	-1.0	-47.57	282.39	5.39	-42.18
COC1=CC=CC=C1OC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581392	0	32	-1.0	-40.40	294.11	4.97	-35.43
COC1=CC=CC=C1OC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581392	1	32	-1.0	-40.36	294.17	4.98	-35.38
O=C(CCCC1=N[N-]N=N1)NC1C=CS(=O)(=O)C1	REAL250004581393	0	30	-1.0	-51.90	274.23	-1.64	-53.54
O=C(CCCC1=NN=N[N-]1)NC1C=CS(=O)(=O)C1	REAL250004581393	1	30	-1.0	-51.92	274.29	-1.64	-53.56
CC(C)(C)NC(=S)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581394	0	37	-1.0	-51.07	310.26	2.06	-49.01
CC(C)(C)NC(=S)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581394	1	37	-1.0	-51.04	310.32	2.08	-48.96
O=C(CCCC1=N[N-]N=N1)NCCCOCC1CC1	REAL250004581399	0	39	-1.0	-46.77	327.87	2.84	-43.93
O=C(CCCC1=NN=N[N-]1)NCCCOCC1CC1	REAL250004581399	1	39	-1.0	-46.75	327.93	2.86	-43.89
COCCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581400	0	39	-1.0	-48.66	329.82	0.52	-48.14
COCCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581400	1	39	-1.0	-48.66	329.88	0.54	-48.12
CN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004581401	0	35	-1.0	-55.78	296.17	0.29	-55.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004581401	1	35	-1.0	-55.85	296.23	0.30	-55.55
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL250004581402	0	28	-1.0	-36.42	259.89	2.35	-34.07
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL250004581402	1	28	-1.0	-36.44	259.96	2.35	-34.09
O=C(NC1=CC=NC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581403	0	31	-1.0	-53.63	272.31	4.51	-49.12
O=C(NC1=CC=NC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581403	1	31	-1.0	-53.39	272.41	4.53	-48.86
O=C(NC1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581404	0	28	-1.0	-35.85	258.80	1.41	-34.44
O=C(NC1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581404	1	28	-1.0	-35.88	258.73	1.41	-34.47
CC(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581405	0	35	-1.0	-49.42	295.29	3.64	-45.78
CC(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581405	1	35	-1.0	-49.40	295.23	3.62	-45.78
CC(C)N1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581406	0	35	-1.0	-35.94	305.96	3.42	-32.52
CC(C)N1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581406	1	35	-1.0	-35.92	305.89	3.41	-32.51
CC(C)NC(=O)C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004581407	0	36	-1.0	-47.78	315.89	-1.57	-49.35
CC(C)NC(=O)C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004581407	1	36	-1.0	-47.79	315.95	-1.56	-49.35
CCNC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581408	0	41	-1.0	-53.29	327.84	2.26	-51.03
CCNC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581408	1	41	-1.0	-53.29	327.89	2.27	-51.02
CC(C)CCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004581409	0	41	-1.0	-48.83	335.78	4.94	-43.89
CC(C)CCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004581409	1	41	-1.0	-48.83	335.73	4.93	-43.90
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=NN=N2)=C1	REAL250004581410	0	34	-1.0	-51.97	301.38	3.55	-48.42
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=NN=N2)=C1	REAL250004581410	1	34	-1.0	-51.97	301.32	3.53	-48.44
O=C(CCCC1=N[N-]N=N1)NCCCOC1=CC=CC=C1	REAL250004581411	0	39	-1.0	-48.12	330.55	3.83	-44.29
O=C(CCCC1=NN=N[N-]1)NCCCOC1=CC=CC=C1	REAL250004581411	1	39	-1.0	-48.12	330.61	3.85	-44.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCCCC2C1	REAL250004581412	0	45	-1.0	-45.81	338.80	5.89	-39.92
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCCCC2C1	REAL250004581412	1	45	-1.0	-45.85	338.85	5.90	-39.95
NC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004581413	0	33	-1.0	-61.69	287.55	0.14	-61.55
NC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004581413	1	33	-1.0	-61.72	287.61	0.16	-61.56
CN1C=CC=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004581414	0	40	-1.0	-53.98	320.85	5.83	-48.15
CN1C=CC=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004581414	1	40	-1.0	-54.00	320.88	5.84	-48.16
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CN=C1	REAL250004581415	0	38	-1.0	-51.02	315.66	5.15	-45.87
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CCCCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581562	0	41	-1.0	-54.01	338.36	6.49	-47.52
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CC(C)OCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581581	0	36	-1.0	-52.36	306.67	3.38	-48.98
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CCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL250004581583	0	33	-1.0	-53.83	292.48	2.67	-51.16
CCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL250004581583	1	33	-1.0	-53.78	292.55	2.66	-51.12
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1COCCO1	REAL250004581584	0	32	-1.0	-56.69	275.58	1.89	-54.80
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1COCCO1	REAL250004581584	1	32	-1.0	-56.65	275.65	1.88	-54.77
COC(=O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581585	0	29	-1.0	-64.02	262.81	3.45	-60.57
COC(=O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581585	1	29	-1.0	-63.99	262.88	3.44	-60.55
O=C(CCC1CCCO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581586	0	37	-1.0	-52.85	309.06	3.69	-49.16
O=C(CCC1CCCO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581586	1	37	-1.0	-52.78	309.13	3.68	-49.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC=C1	REAL250004581587	0	27	-1.0	-55.10	249.35	1.36	-53.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC=C1	REAL250004581587	1	27	-1.0	-55.05	249.41	1.35	-53.70
COCCSCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581588	0	34	-1.0	-55.78	309.34	2.99	-52.79
COCCSCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581588	1	34	-1.0	-55.77	309.41	2.98	-52.79
CC(=O)N(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581589	0	33	-1.0	-62.72	287.43	2.62	-60.10
CC(=O)N(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581589	1	33	-1.0	-62.65	287.49	2.61	-60.04
CCC(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581590	0	35	-1.0	-54.20	285.16	4.39	-49.81
CCC(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581590	1	35	-1.0	-54.17	285.22	4.39	-49.78
CN1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1=O	REAL250004581591	0	34	-1.0	-55.22	293.44	2.46	-52.76
CN1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1=O	REAL250004581591	1	34	-1.0	-55.21	293.50	2.45	-52.76
CC1=NNC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581592	0	30	-1.0	-58.34	266.47	1.95	-56.39
CC1=NNC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581592	1	30	-1.0	-58.28	266.53	1.94	-56.34
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSN=N1	REAL250004581593	0	25	-1.0	-49.61	248.58	1.25	-48.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSN=N1	REAL250004581593	1	25	-1.0	-49.63	248.51	1.26	-48.37
COC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004581594	0	33	-1.0	-56.91	293.98	1.60	-55.31
COC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004581594	1	33	-1.0	-56.96	293.92	1.62	-55.34
CCCCC(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581595	0	41	-1.0	-53.74	328.19	5.91	-47.83
CCCCC(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581595	1	41	-1.0	-53.65	328.26	5.91	-47.74
COC(=O)N(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581596	0	34	-1.0	-62.16	301.38	2.59	-59.57
COC(=O)N(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581596	1	34	-1.0	-62.07	301.45	2.58	-59.49
CCC(=O)NC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581597	0	36	-1.0	-52.39	309.45	1.92	-50.47
CCC(=O)NC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581597	1	36	-1.0	-52.38	309.52	1.91	-50.47
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=[N+]1[O-]	REAL250004581598	0	30	-1.0	-61.12	269.63	3.70	-57.42
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=[N+]1[O-]	REAL250004581598	1	30	-1.0	-62.17	270.01	3.68	-58.49
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)SC=N1	REAL250004581599	0	29	-1.0	-53.13	270.42	2.68	-50.45
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)SC=N1	REAL250004581599	1	29	-1.0	-52.97	270.77	2.67	-50.30
CCOCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581600	0	36	-1.0	-57.42	307.90	3.40	-54.02
CCOCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581600	1	36	-1.0	-57.38	307.96	3.40	-53.98
O=C(COCC1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581601	0	34	-1.0	-58.59	297.12	4.42	-54.17
O=C(COCC1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581601	1	34	-1.0	-58.60	297.18	4.41	-54.19
O=C(CC1CCCO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581602	0	34	-1.0	-59.25	287.17	3.47	-55.78
O=C(CC1CCCO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581602	1	34	-1.0	-59.26	287.23	3.46	-55.80
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)S(C)(=O)=O	REAL250004581603	0	32	-1.0	-74.20	289.80	0.36	-73.84
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)S(C)(=O)=O	REAL250004581603	1	32	-1.0	-74.20	289.86	0.34	-73.86
CC1=CNC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581604	0	31	-1.0	-60.76	272.23	3.45	-57.31
CC1=CNC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581604	1	31	-1.0	-60.74	272.29	3.45	-57.29
CSC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581605	0	30	-1.0	-57.16	272.48	3.59	-53.57
CSC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581605	1	30	-1.0	-57.08	272.55	3.60	-53.48
CCOC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581606	0	33	-1.0	-57.42	285.16	3.54	-53.88
CCOC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581606	1	33	-1.0	-57.40	285.22	3.53	-53.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNN=C1	REAL250004581607	0	27	-1.0	-53.73	248.65	1.34	-52.39
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CNN=C1	REAL250004581607	1	27	-1.0	-53.75	248.71	1.33	-52.42
NC(=O)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CN1	REAL250004581608	0	32	-1.0	-70.54	290.65	-0.55	-71.09
NC(=O)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CN1	REAL250004581608	1	32	-1.0	-70.48	290.72	-0.55	-71.03
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL250004581609	0	36	-1.0	-54.01	309.44	3.87	-50.14
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL250004581609	1	36	-1.0	-53.97	309.50	3.86	-50.11
CC(C)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL250004581610	0	36	-1.0	-53.21	311.82	3.30	-49.91
CC(C)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL250004581610	1	36	-1.0	-53.15	311.89	3.29	-49.86
O=C(CCC1=CC=NC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581611	0	35	-1.0	-53.71	307.43	4.61	-49.10
O=C(CCC1=CC=NC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581611	1	35	-1.0	-53.68	307.49	4.60	-49.08
CN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CC1=O	REAL250004581612	0	33	-1.0	-54.16	290.99	3.72	-50.44
CN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CC1=O	REAL250004581612	1	33	-1.0	-54.10	291.06	3.71	-50.39
CC(C)(C#N)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581613	0	30	-1.0	-61.16	269.01	3.38	-57.78
CC(C)(C#N)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581613	1	30	-1.0	-61.05	269.08	3.37	-57.68
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC(=O)NC1	REAL250004581615	0	34	-1.0	-56.19	289.25	1.13	-55.06
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(=O)NC1	REAL250004581615	1	34	-1.0	-56.19	289.31	1.12	-55.07
COCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581616	0	33	-1.0	-57.20	286.04	2.44	-54.76
COCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581616	1	33	-1.0	-57.18	286.10	2.43	-54.75
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC2=C1CCC2	REAL250004581617	0	34	-1.0	-55.58	294.64	3.23	-52.35
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC2=C1CCC2	REAL250004581617	1	34	-1.0	-55.58	294.70	3.22	-52.36
CC(F)(F)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581618	0	32	-1.0	-50.83	284.98	4.27	-46.56
CC(F)(F)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581618	1	32	-1.0	-50.79	285.05	4.27	-46.52
O=C(COC1CCCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581619	0	37	-1.0	-58.41	310.39	4.88	-53.53
O=C(COC1CCCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581619	1	37	-1.0	-58.39	310.46	4.88	-53.51
CC1=NC=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581620	0	31	-1.0	-51.61	272.52	3.58	-48.03
CC1=NC=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581620	1	31	-1.0	-51.57	272.59	3.58	-47.99
CCC1=NC=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581621	0	34	-1.0	-51.10	291.67	4.27	-46.83
CCC1=NC=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581621	1	34	-1.0	-51.05	291.74	4.26	-46.79
C=CCSCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581622	0	31	-1.0	-56.89	288.21	4.48	-52.41
C=CCSCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581622	1	31	-1.0	-56.83	288.27	4.47	-52.36
CCOC1CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581623	0	34	-1.0	-51.92	296.96	3.27	-48.65
CCOC1CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581623	1	34	-1.0	-51.86	297.02	3.26	-48.60
CC1=NC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004581624	0	31	-1.0	-50.21	280.34	2.95	-47.26
CC1=NC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004581624	1	31	-1.0	-50.20	280.41	2.94	-47.26
CCSCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581625	0	33	-1.0	-51.88	297.07	4.72	-47.16
CCSCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581625	1	33	-1.0	-51.81	297.13	4.72	-47.09
COC(=O)NCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581626	0	31	-1.0	-52.87	280.37	-0.30	-53.17
COC(=O)NCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581626	1	31	-1.0	-52.82	280.43	-0.31	-53.13
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])N1	REAL250004581627	0	30	-1.0	-49.84	284.08	4.32	-45.52
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])N1	REAL250004581627	1	30	-1.0	-49.79	284.15	4.32	-45.47
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NSN=C1	REAL250004581628	0	25	-1.0	-48.75	247.55	0.86	-47.89
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NSN=C1	REAL250004581628	1	25	-1.0	-48.81	247.49	0.87	-47.94
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=NS1	REAL250004581629	0	25	-1.0	-51.30	248.60	1.50	-49.80
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=NS1	REAL250004581629	1	25	-1.0	-51.33	248.54	1.51	-49.82
CC1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004581630	0	35	-1.0	-58.78	307.60	4.40	-54.38
CC1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004581630	1	35	-1.0	-58.77	307.67	4.39	-54.38
CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)N1	REAL250004581631	0	33	-1.0	-53.43	290.70	2.72	-50.71
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)N1	REAL250004581631	1	33	-1.0	-53.44	290.76	2.71	-50.73
CCCSCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581632	0	33	-1.0	-56.31	297.17	4.72	-51.59
CCCSCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581632	1	33	-1.0	-56.27	297.23	4.70	-51.57
CC(=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004581633	0	34	-1.0	-52.24	288.29	5.35	-46.89
CC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581633	1	34	-1.0	-52.17	288.35	5.35	-46.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NOC=C1	REAL250004581634	0	26	-1.0	-52.20	245.30	2.14	-50.06
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NOC=C1	REAL250004581634	1	26	-1.0	-52.25	245.24	2.15	-50.10
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CS1	REAL250004581635	0	26	-1.0	-54.02	253.75	2.04	-51.98
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CS1	REAL250004581635	1	26	-1.0	-54.02	253.69	2.05	-51.97
O=C(C=C(C1CC1)C1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581636	0	38	-1.0	-52.86	315.35	6.64	-46.22
O=C(C=C(C1CC1)C1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581636	1	38	-1.0	-52.83	315.41	6.63	-46.20
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL250004581637	0	30	-1.0	-54.15	271.28	1.92	-52.23
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL250004581637	1	30	-1.0	-54.16	271.35	1.92	-52.24
CC1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL250004581638	0	33	-1.0	-64.42	293.01	3.68	-60.74
CC1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL250004581638	1	33	-1.0	-64.50	292.95	3.69	-60.81
O=C(C=C1CCCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581639	0	34	-1.0	-54.02	286.27	5.21	-48.81
O=C(C=C1CCCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581639	1	34	-1.0	-54.03	286.34	5.19	-48.84
CC1=NN(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581640	0	33	-1.0	-54.17	287.07	3.39	-50.78
CC1=NN(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581640	1	33	-1.0	-54.15	287.13	3.38	-50.77
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CC(OCC1CC1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581655	0	37	-1.0	-58.45	317.55	5.10	-53.35
CC(OCC1CC1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581655	1	37	-1.0	-58.38	317.61	5.10	-53.28
CC(C)OCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581656	0	33	-1.0	-58.10	285.72	3.56	-54.54
CC(C)OCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581656	1	33	-1.0	-58.09	285.78	3.55	-54.54
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004581657	0	36	-1.0	-53.03	299.03	5.40	-47.63
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581657	1	36	-1.0	-52.95	299.09	5.40	-47.55
CC1CCCCC1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581658	0	42	-1.0	-54.04	321.13	6.11	-47.93
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CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CN=C1	REAL250004581668	1	33	-1.0	-60.82	289.26	4.72	-56.10
CC(C)N(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581669	1	37	-1.0	-54.18	296.38	2.08	-52.10
CC(C)N(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581669	1	37	-1.0	-54.20	296.44	2.08	-52.12
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CCCOCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581672	0	33	-1.0	-57.58	287.22	3.64	-53.94
CCCOCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581672	1	33	-1.0	-57.57	287.28	3.63	-53.94
CCCCOC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581673	0	39	-1.0	-57.53	328.15	5.11	-52.42
CCCCOC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581673	1	39	-1.0	-57.52	328.22	5.10	-52.42
CC(C)CCOCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581674	0	39	-1.0	-57.64	326.28	4.93	-52.71
CC(C)CCOCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581674	1	39	-1.0	-57.59	326.34	4.92	-52.67
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NC(=O)CCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581676	0	33	-1.0	-67.28	290.32	0.20	-67.08
NC(=O)CCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581676	1	33	-1.0	-67.23	290.38	0.20	-67.03
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CCC(OC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581680	0	33	-1.0	-56.31	284.86	3.43	-52.88
CCC(OC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581680	1	33	-1.0	-56.30	284.93	3.42	-52.88
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CCCC1=NNC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581683	0	36	-1.0	-58.01	309.73	3.43	-54.58
CCCC1=NNC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581683	1	36	-1.0	-58.00	309.80	3.42	-54.58
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CN1C=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004581685	1	33	-1.0	-60.14	293.97	3.37	-56.77
CCN1N=C(C)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581686	0	36	-1.0	-53.96	305.14	4.53	-49.43
CCN1N=C(C)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581686	1	36	-1.0	-53.94	305.21	4.52	-49.42
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CCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581688	0	35	-1.0	-53.86	283.84	4.32	-49.54
CCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581688	1	35	-1.0	-53.77	283.91	4.31	-49.46
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COC(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581690	0	33	-1.0	-54.75	283.68	3.12	-51.63
COC(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581690	1	33	-1.0	-54.69	283.74	3.11	-51.58
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL250004581691	0	37	-1.0	-53.86	296.26	3.15	-50.71
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL250004581691	1	37	-1.0	-53.81	296.32	3.14	-50.67
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL250004581692	0	36	-1.0	-53.92	291.79	5.06	-48.86
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL250004581692	1	36	-1.0	-53.87	291.85	5.05	-48.82
CC1CCCC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581693	0	42	-1.0	-41.81	324.81	6.22	-35.59
CC1CCCC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581693	1	42	-1.0	-41.75	324.87	6.22	-35.53
CC(=O)NC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581694	0	36	-1.0	-54.29	301.25	1.78	-52.51
CC(=O)NC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581694	1	36	-1.0	-54.22	301.32	1.77	-52.45
CCCC(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581695	0	38	-1.0	-53.53	308.82	5.38	-48.15
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CC1CCC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581754	1	42	-1.0	-54.29	324.59	6.24	-48.05
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL250004581755	0	38	-1.0	-52.27	296.87	4.83	-47.44
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL250004581755	1	38	-1.0	-52.27	296.93	4.82	-47.45
CC(CC1CCCC1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581756	0	42	-1.0	-54.82	332.46	6.56	-48.26
CC(CC1CCCC1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581756	1	42	-1.0	-54.74	332.52	6.56	-48.18
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CC(C)C1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581758	1	35	-1.0	-48.27	307.76	4.19	-44.08
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL250004581767	0	33	-1.0	-55.74	299.32	5.31	-50.43
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CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1	REAL250004581773	1	33	-1.0	-54.37	298.17	5.13	-49.24
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CCOCC2	REAL250004581810	1	38	-1.0	-53.64	314.06	3.92	-49.72
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC=N1	REAL250004581811	0	29	-1.0	-52.27	263.21	0.23	-52.04
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC=N1	REAL250004581811	1	29	-1.0	-52.25	263.28	0.22	-52.03
CN1CCCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581812	0	38	-1.0	-41.17	305.44	2.71	-38.46
CN1CCCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581812	1	38	-1.0	-41.13	305.50	2.71	-38.42
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1C2CCCC21	REAL250004581813	0	34	-1.0	-53.76	279.38	5.29	-48.47
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C2CCCC21	REAL250004581813	1	34	-1.0	-53.74	279.45	5.28	-48.46
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004581814	0	33	-1.0	-53.40	280.18	4.74	-48.66
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581814	1	33	-1.0	-53.39	280.24	4.73	-48.66
O=C(CC1CCCCCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581815	0	42	-1.0	-54.66	323.05	6.23	-48.43
O=C(CC1CCCCCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581815	1	42	-1.0	-54.63	323.12	6.22	-48.41
N#CC1=CNC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581816	0	29	-1.0	-60.53	274.46	3.16	-57.37
N#CC1=CNC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581816	1	29	-1.0	-60.51	274.52	3.16	-57.35
O=C(C#CC1=CC=CC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581817	0	32	-1.0	-53.70	298.29	6.26	-47.44
O=C(C#CC1=CC=CC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581817	1	32	-1.0	-53.81	298.08	6.26	-47.55
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C)N=C1	REAL250004581818	0	36	-1.0	-60.30	311.91	3.92	-56.38
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C)N=C1	REAL250004581818	1	36	-1.0	-60.37	311.84	3.93	-56.44
O=C(CCC1=COC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581819	0	33	-1.0	-54.29	293.29	4.33	-49.96
O=C(CCC1=COC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581819	1	33	-1.0	-54.25	293.35	4.32	-49.93
CC(C)CC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581820	0	41	-1.0	-52.57	319.07	5.55	-47.02
CC(C)CC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581820	1	41	-1.0	-52.54	319.13	5.54	-47.00
CC1=CC=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581821	0	32	-1.0	-52.25	279.41	3.85	-48.40
CC1=CC=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581821	1	32	-1.0	-52.27	279.35	3.86	-48.41
CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581822	0	36	-1.0	-41.43	295.13	4.86	-36.57
CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581822	1	36	-1.0	-41.45	295.19	4.85	-36.60
CC1(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1(C)C	REAL250004581823	0	39	-1.0	-52.46	311.49	5.55	-46.91
CC1(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1(C)C	REAL250004581823	1	39	-1.0	-52.40	311.55	5.54	-46.86
O=C(CCC1=NN=CN1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581824	0	32	-1.0	-56.19	286.27	3.79	-52.40
O=C(CCC1=NN=CN1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581824	1	32	-1.0	-56.12	286.34	3.79	-52.33
CNS(=O)(=O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581825	0	31	-1.0	-68.60	287.56	-1.98	-70.58
CNS(=O)(=O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581825	1	31	-1.0	-68.54	287.63	-2.00	-70.54
CSC=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581826	0	28	-1.0	-52.33	266.47	3.54	-48.79
CSC=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581826	1	28	-1.0	-52.29	266.53	3.53	-48.76
O=C(CCC1CCOC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581827	0	37	-1.0	-56.20	306.59	3.36	-52.84
O=C(CCC1CCOC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581827	1	37	-1.0	-56.18	306.66	3.36	-52.82
N#CC1=CSC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581828	0	28	-1.0	-57.25	279.31	4.30	-52.95
N#CC1=CSC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581828	1	28	-1.0	-57.23	279.37	4.29	-52.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)(F)C(F)F	REAL250004581829	0	26	-1.0	-48.85	254.36	3.08	-45.77
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)(F)C(F)F	REAL250004581829	1	26	-1.0	-48.80	254.43	3.07	-45.73
O=C(CN1C=CN=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581830	0	29	-1.0	-70.52	265.01	1.71	-68.81
O=C(CN1C=CN=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581830	1	29	-1.0	-70.56	264.95	1.72	-68.84
O=CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004581831	0	30	-1.0	-57.79	277.99	2.31	-55.48
O=CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004581831	1	30	-1.0	-57.73	278.05	2.30	-55.43
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL250004581832	0	31	-1.0	-55.44	271.72	3.35	-52.09
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL250004581832	1	31	-1.0	-55.41	271.78	3.34	-52.07
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581833	0	33	-1.0	-53.73	275.10	4.40	-49.33
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581833	1	33	-1.0	-53.70	275.17	4.39	-49.31
C=CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581834	0	33	-1.0	-54.33	286.67	4.71	-49.62
C=CCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581834	1	33	-1.0	-54.29	286.74	4.70	-49.59
CC1=CC=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004581835	0	36	-1.0	-53.95	314.95	5.33	-48.62
CC1=CC=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004581835	1	36	-1.0	-53.89	315.01	5.32	-48.57
COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004581836	0	33	-1.0	-51.36	295.71	1.76	-49.60
COC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004581836	1	33	-1.0	-51.41	295.65	1.76	-49.65
O=C(COC1CCOC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581837	0	35	-1.0	-58.07	301.14	2.28	-55.79
O=C(COC1CCOC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581837	1	35	-1.0	-58.03	301.21	2.27	-55.76
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC12CCCC2	REAL250004581838	0	37	-1.0	-54.01	303.88	5.89	-48.12
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CCCC2	REAL250004581838	1	37	-1.0	-53.99	303.95	5.88	-48.11
O=CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004581839	0	29	-1.0	-64.42	280.83	3.66	-60.76
O=CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004581839	1	29	-1.0	-64.43	280.89	3.65	-60.78
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(F)(F)C1	REAL250004581840	0	30	-1.0	-52.53	271.13	4.04	-48.49
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(F)(F)C1	REAL250004581840	1	30	-1.0	-52.51	271.19	4.03	-48.48
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)NC=C1	REAL250004581841	0	30	-1.0	-66.87	271.51	1.82	-65.05
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)NC=C1	REAL250004581841	1	30	-1.0	-66.86	271.57	1.81	-65.05
CCCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581842	0	36	-1.0	-41.08	305.39	5.38	-35.70
CCCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581842	1	36	-1.0	-41.00	305.45	5.37	-35.63
CCC(CC)(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581843	0	41	-1.0	-54.95	315.43	5.27	-49.68
CCC(CC)(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581843	1	41	-1.0	-54.95	315.50	5.26	-49.69
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CCCC1	REAL250004581844	0	31	-1.0	-53.85	267.37	4.49	-49.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CCCC1	REAL250004581844	1	31	-1.0	-53.85	267.43	4.48	-49.37
CC1=NNC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581845	0	33	-1.0	-59.93	292.72	2.49	-57.44
CC1=NNC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581845	1	33	-1.0	-59.88	292.78	2.48	-57.40
CN1C=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581846	0	31	-1.0	-56.24	276.58	4.50	-51.74
CN1C=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581846	1	31	-1.0	-56.18	276.64	4.48	-51.70
O=C(C=C1CCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581847	0	31	-1.0	-54.27	270.29	4.59	-49.68
O=C(C=C1CCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581847	1	31	-1.0	-54.24	270.35	4.58	-49.66
COCC(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581848	0	36	-1.0	-43.72	302.32	3.05	-40.67
COCC(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581848	1	36	-1.0	-43.70	302.38	3.05	-40.65
O=C(CC1CCCCO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581849	0	37	-1.0	-55.99	305.26	4.43	-51.56
O=C(CC1CCCCO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581849	1	37	-1.0	-55.93	305.32	4.42	-51.51
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCO1	REAL250004581850	0	34	-1.0	-50.48	285.12	2.82	-47.66
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCO1	REAL250004581850	1	34	-1.0	-50.47	285.18	2.81	-47.66
CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)COC1	REAL250004581851	0	34	-1.0	-42.03	283.99	2.60	-39.43
CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)COC1	REAL250004581851	1	34	-1.0	-42.02	284.06	2.59	-39.43
CC(C)N1N=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581852	0	36	-1.0	-52.29	308.55	4.20	-48.09
CC(C)N1N=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581852	1	36	-1.0	-52.33	308.48	4.20	-48.13
O=C(CC1=CC=CN=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581853	0	32	-1.0	-56.60	286.05	3.78	-52.82
O=C(CC1=CC=CN=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581853	1	32	-1.0	-56.66	285.99	3.79	-52.87
O=C(CC1=CC=C(O)C=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581854	0	34	-1.0	-57.73	302.18	2.72	-55.01
O=C(CC1=CC=C(O)C=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581854	1	34	-1.0	-57.67	302.24	2.71	-54.96
CC1=CC=CC(C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581855	0	36	-1.0	-53.91	309.27	5.82	-48.09
CC1=CC=CC(C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581855	1	36	-1.0	-53.90	309.33	5.81	-48.09
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCNC(=O)C1	REAL250004581856	0	34	-1.0	-55.58	289.15	1.16	-54.42
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCNC(=O)C1	REAL250004581856	1	34	-1.0	-55.52	289.21	1.15	-54.37
CC1(C)CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581857	0	42	-1.0	-53.34	326.25	6.03	-47.31
CC1(C)CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581857	1	42	-1.0	-53.28	326.31	6.03	-47.25
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)=C1CCCC1	REAL250004581858	0	34	-1.0	-48.44	291.63	5.29	-43.15
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)=C1CCCC1	REAL250004581858	1	34	-1.0	-48.43	291.69	5.28	-43.15
CCC1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581859	0	36	-1.0	-53.39	300.21	6.27	-47.12
CCC1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581859	1	36	-1.0	-53.37	300.28	6.26	-47.11
CCC1(C)CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581860	0	36	-1.0	-52.88	295.34	5.23	-47.65
CCC1(C)CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581860	1	36	-1.0	-52.83	295.40	5.22	-47.61
CCCC(C)(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581861	0	36	-1.0	-50.33	299.39	1.45	-48.88
CCCC(C)(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581861	1	36	-1.0	-50.32	299.45	1.44	-48.88
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC12CCC2	REAL250004581862	0	34	-1.0	-53.93	288.97	5.30	-48.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CCC2	REAL250004581862	1	34	-1.0	-53.89	289.04	5.29	-48.60
CC1=CC=CC(F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581863	0	33	-1.0	-54.77	296.04	5.34	-49.43
CC1=CC=CC(F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581863	1	33	-1.0	-54.75	296.11	5.33	-49.42
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(F)=C1	REAL250004581864	0	29	-1.0	-53.15	267.74	3.19	-49.96
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(F)=C1	REAL250004581864	1	29	-1.0	-53.15	267.67	3.20	-49.95
CCCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581865	0	39	-1.0	-41.30	316.58	5.65	-35.65
CCCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581865	1	39	-1.0	-41.28	316.65	5.64	-35.64
CCC(=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)CC	REAL250004581866	0	36	-1.0	-51.78	300.56	5.39	-46.39
CCC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CC	REAL250004581866	1	36	-1.0	-51.75	300.62	5.39	-46.36
CC1=CC(=O)NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581867	0	33	-1.0	-46.20	285.95	2.55	-43.65
CC1=CC(=O)NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581867	1	33	-1.0	-46.20	286.04	2.54	-43.66
CC(C)[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL250004581868	1	40	-1.0	-50.66	312.11	3.46	-47.20
N#CC1=NN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004581869	0	30	-1.0	-71.06	287.22	3.87	-67.19
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CC1CC(C#N)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581870	0	34	-1.0	-50.95	297.95	4.66	-46.29
CC1CC(C#N)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581870	1	34	-1.0	-50.91	298.01	4.65	-46.26
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNC(C2CC2)=N1	REAL250004581871	0	34	-1.0	-53.33	301.57	3.79	-49.54
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CC1CCC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581872	0	39	-1.0	-53.78	314.89	5.82	-47.96
CC1CCC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581872	1	39	-1.0	-53.75	314.96	5.81	-47.94
CCC(CC)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581873	0	38	-1.0	-53.79	301.67	5.15	-48.64
CCC(CC)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581873	1	38	-1.0	-53.75	301.74	5.14	-48.61
CC=C(C=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)CC	REAL250004581874	0	37	-1.0	-53.70	314.80	5.81	-47.89
CC=C(C=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CC	REAL250004581874	1	37	-1.0	-53.70	314.86	5.80	-47.90
CC1CCC(=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581875	0	37	-1.0	-53.44	307.38	5.82	-47.62
CC1CCC(=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581875	1	37	-1.0	-53.42	307.45	5.82	-47.60
CC(C)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581876	0	36	-1.0	-40.86	296.29	4.94	-35.92
CC(C)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581876	1	36	-1.0	-40.86	296.36	4.93	-35.93
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CC1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581878	0	33	-1.0	-53.41	278.87	4.52	-48.89
CC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581878	1	33	-1.0	-54.19	278.66	4.52	-49.67
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)=C1CCCC1	REAL250004581879	0	37	-1.0	-54.26	302.29	5.90	-48.36
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)=C1CCCC1	REAL250004581879	1	37	-1.0	-54.30	302.35	5.89	-48.41
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COCC(C)(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581882	0	34	-1.0	-49.21	294.22	-0.42	-49.63
COCC(C)(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581882	1	34	-1.0	-49.19	294.28	-0.43	-49.62
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CN1C=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581883	1	30	-1.0	-55.30	272.14	4.12	-51.18
COC(=O)CC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581884	0	35	-1.0	-51.00	302.20	3.90	-47.10
COC(=O)CC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581884	1	35	-1.0	-50.95	302.27	3.90	-47.05
CC1=C(C)OC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581885	0	33	-1.0	-52.73	292.29	4.34	-48.39
CC1=C(C)OC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581885	1	33	-1.0	-52.69	292.35	4.33	-48.36
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CCC1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004581888	0	37	-1.0	-59.30	309.43	4.67	-54.63
CCC1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004581888	1	37	-1.0	-59.28	309.49	4.66	-54.62
CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL250004581889	0	39	-1.0	-55.46	310.61	5.55	-49.91
CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL250004581889	1	39	-1.0	-55.42	310.68	5.54	-49.88
CC(C)CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581890	0	42	-1.0	-53.89	325.62	6.28	-47.61
CC(C)CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581890	1	42	-1.0	-53.86	325.69	6.27	-47.59
CC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004581891	0	33	-1.0	-61.64	291.11	5.61	-56.03
CC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004581891	1	33	-1.0	-61.60	291.17	5.60	-56.00
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CSCCC(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581893	0	34	-1.0	-53.79	306.88	2.43	-51.36
CSCCC(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581893	1	34	-1.0	-53.74	306.95	2.42	-51.32
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CC1(C)C[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581896	0	33	-1.0	-53.04	277.99	4.59	-48.45
CC1(C)C[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581896	1	33	-1.0	-53.05	278.05	4.58	-48.47
CNC(=O)NCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581897	0	32	-1.0	-52.95	284.40	-1.06	-54.01
CNC(=O)NCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581897	1	32	-1.0	-52.93	284.46	-1.07	-54.00
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL250004581898	0	32	-1.0	-52.84	285.25	3.81	-49.03
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CC1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004581899	0	33	-1.0	-58.61	293.82	4.53	-54.08
CC1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004581899	1	33	-1.0	-58.62	293.88	4.52	-54.10
CCCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)C	REAL250004581900	0	41	-1.0	-53.98	323.22	6.05	-47.93
CCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)C	REAL250004581900	1	41	-1.0	-53.99	323.28	6.04	-47.95
CC(C)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NO1	REAL250004581901	0	35	-1.0	-49.89	309.18	4.42	-45.47
CC(C)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NO1	REAL250004581901	1	35	-1.0	-49.91	309.24	4.41	-45.50
CCC(C)C(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581902	0	36	-1.0	-53.47	296.73	2.58	-50.89
CCC(C)C(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581902	1	36	-1.0	-53.44	296.79	2.57	-50.87
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CN1CCOCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581905	0	36	-1.0	-53.33	297.50	0.27	-53.06
CN1CCOCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581905	1	36	-1.0	-53.31	297.56	0.28	-53.03
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CC(C)N1C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581907	0	37	-1.0	-55.69	311.25	6.03	-49.66
CC(C)N1C=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581907	1	37	-1.0	-55.66	311.31	6.02	-49.64
CC1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1=O	REAL250004581908	0	38	-1.0	-58.44	310.79	4.70	-53.74
CC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1=O	REAL250004581908	1	38	-1.0	-58.39	310.86	4.69	-53.70
CCCC(CCC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581909	0	41	-1.0	-54.61	328.07	5.95	-48.66
CCCC(CCC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581909	1	41	-1.0	-54.55	328.13	5.94	-48.61
CC1CC(=O)CCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581910	0	38	-1.0	-58.77	313.83	4.88	-53.89
CC1CC(=O)CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581910	1	38	-1.0	-58.78	313.90	4.87	-53.91
CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL250004581911	0	42	-1.0	-52.82	318.93	6.09	-46.73
CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL250004581911	1	42	-1.0	-52.77	319.00	6.08	-46.69
CC1=NN=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581912	0	31	-1.0	-55.50	272.71	2.72	-52.78
CC1=NN=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581912	1	31	-1.0	-55.44	272.77	2.71	-52.73
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCO1	REAL250004581913	0	35	-1.0	-52.33	288.95	4.02	-48.31
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCO1	REAL250004581913	1	35	-1.0	-52.32	289.01	4.01	-48.31
COCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581914	0	36	-1.0	-52.04	301.22	3.02	-49.02
COCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581914	1	36	-1.0	-51.97	301.28	3.01	-48.96
O=C(CN1CCCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581915	0	35	-1.0	-54.07	287.13	1.83	-52.24
O=C(CN1CCCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581915	1	35	-1.0	-54.06	287.19	1.82	-52.24
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CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(O)=C1	REAL250004581917	0	34	-1.0	-57.78	296.77	4.00	-53.78
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(O)=C1	REAL250004581917	1	34	-1.0	-57.72	296.83	3.99	-53.73
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CSC(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581920	0	33	-1.0	-54.90	291.42	4.39	-50.51
CSC(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581920	1	33	-1.0	-54.87	291.49	4.39	-50.48
CN1C(=O)C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581921	0	33	-1.0	-59.16	285.89	3.59	-55.57
CN1C(=O)C=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581921	1	33	-1.0	-59.12	285.95	3.58	-55.54
NC(=O)NC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581922	0	33	-1.0	-49.01	293.33	-1.30	-50.31
NC(=O)NC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581922	1	33	-1.0	-48.99	293.39	-1.31	-50.30
CCC1=CC=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581923	0	35	-1.0	-52.07	298.26	4.60	-47.47
CCC1=CC=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581923	1	35	-1.0	-52.10	298.19	4.62	-47.48
COCCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581924	0	37	-1.0	-41.52	317.56	3.66	-37.86
COCCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581924	1	37	-1.0	-41.46	317.62	3.66	-37.80
CCCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL250004581925	0	35	-1.0	-50.76	310.45	2.84	-47.92
CCCN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL250004581925	1	35	-1.0	-50.75	310.39	2.85	-47.90
CC1=CC(F)=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581926	0	33	-1.0	-51.97	288.52	5.66	-46.31
CC1=CC(F)=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581926	1	33	-1.0	-51.98	288.58	5.65	-46.33
CCC(SC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581927	0	33	-1.0	-53.58	292.42	4.52	-49.06
CCC(SC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581927	1	33	-1.0	-53.54	292.49	4.51	-49.03
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=CC=C1	REAL250004581928	0	34	-1.0	-43.83	294.25	5.31	-38.52
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CC=C1	REAL250004581928	1	34	-1.0	-43.78	294.31	5.31	-38.47
CCN(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004581929	0	38	-1.0	-41.93	307.07	2.93	-39.00
CCN(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581929	1	38	-1.0	-41.94	307.13	2.92	-39.02
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC=N1	REAL250004581930	0	26	-1.0	-59.91	244.15	2.03	-57.88
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC=N1	REAL250004581930	1	26	-1.0	-59.86	244.21	2.02	-57.84
CC1(OCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581931	0	37	-1.0	-57.78	308.33	4.63	-53.15
CC1(OCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581931	1	37	-1.0	-57.75	308.40	4.63	-53.12
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCO1	REAL250004581932	0	34	-1.0	-58.04	284.51	3.88	-54.16
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCO1	REAL250004581932	1	34	-1.0	-58.04	284.58	3.88	-54.16
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004581933	0	31	-1.0	-52.49	289.11	-0.23	-52.72
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004581933	1	31	-1.0	-52.42	289.17	-0.24	-52.66
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004581934	0	34	-1.0	-52.64	283.70	5.16	-47.48
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004581934	1	34	-1.0	-52.59	283.76	5.15	-47.44
CC1=NNC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1=O	REAL250004581935	0	31	-1.0	-44.72	281.88	0.35	-44.37
CC1=NNC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1=O	REAL250004581935	1	31	-1.0	-44.67	281.94	0.34	-44.33
CCC(C)OCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581936	0	36	-1.0	-58.08	306.49	4.37	-53.71
CCC(C)OCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581936	1	36	-1.0	-58.01	306.55	4.36	-53.65
CC(C)C(O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581937	0	36	-1.0	-58.09	299.71	2.18	-55.91
CC(C)C(O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581937	1	36	-1.0	-58.09	299.78	2.17	-55.92
CCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL250004581938	1	37	-1.0	-51.81	296.71	2.20	-49.61
CCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL250004581938	1	37	-1.0	-51.81	296.78	2.19	-49.62
O=C(CC1COC(=O)C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581939	0	33	-1.0	-57.58	287.44	3.71	-53.87
O=C(CC1COC(=O)C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581939	1	33	-1.0	-57.54	287.50	3.70	-53.84
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NC=N1	REAL250004581940	0	31	-1.0	-49.88	280.47	3.60	-46.28
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NC=N1	REAL250004581940	1	31	-1.0	-49.84	280.53	3.59	-46.25
CCCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL250004581941	1	40	-1.0	-51.66	317.34	2.99	-48.67
CCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL250004581941	1	40	-1.0	-51.64	317.40	2.98	-48.66
O=C(CC1=CC=CO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581942	0	30	-1.0	-57.91	271.91	3.71	-54.20
O=C(CC1=CC=CO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581942	1	30	-1.0	-57.91	271.97	3.70	-54.21
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(C=CO2)N1	REAL250004581943	0	31	-1.0	-56.39	280.72	2.91	-53.48
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(C=CO2)N1	REAL250004581943	1	31	-1.0	-56.53	280.51	2.91	-53.62
CC1(C)CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581944	0	33	-1.0	-53.06	277.99	4.59	-48.47
CC1(C)CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581944	1	33	-1.0	-53.03	278.05	4.58	-48.45
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004581945	0	29	-1.0	-52.25	274.66	3.00	-49.25
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004581945	1	29	-1.0	-52.22	274.72	2.99	-49.23
CCOC=C(C#N)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581946	0	32	-1.0	-48.93	296.79	3.30	-45.63
CCOC=C(C#N)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581946	1	32	-1.0	-48.90	296.85	3.29	-45.61
O=C(CCCN1C=CC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581947	0	37	-1.0	-59.31	319.57	6.26	-53.05
O=C(CCCN1C=CC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581947	1	37	-1.0	-59.26	319.63	6.26	-53.00
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCC(CC1)C2	REAL250004581948	0	37	-1.0	-54.11	299.48	5.41	-48.70
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCC(CC1)C2	REAL250004581948	1	37	-1.0	-54.06	299.54	5.40	-48.66
CCC1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004581949	0	32	-1.0	-50.84	289.02	1.00	-49.84
CCC1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004581949	1	32	-1.0	-50.79	289.08	0.99	-49.80
COC(=O)CCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581950	0	35	-1.0	-63.47	308.10	4.17	-59.30
COC(=O)CCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581950	1	35	-1.0	-63.40	308.16	4.16	-59.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=N1	REAL250004581951	0	29	-1.0	-49.58	270.21	3.24	-46.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=N1	REAL250004581951	1	29	-1.0	-49.65	270.15	3.25	-46.40
CCC(C)=C(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581952	0	36	-1.0	-52.75	295.44	5.32	-47.43
CCC(C)=C(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581952	1	36	-1.0	-52.70	295.50	5.32	-47.38
CC1=NSC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581953	0	29	-1.0	-53.24	268.58	3.17	-50.07
CC1=NSC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581953	1	29	-1.0	-53.24	268.64	3.16	-50.08
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCS1	REAL250004581954	0	34	-1.0	-54.98	293.80	4.89	-50.09
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCS1	REAL250004581954	1	34	-1.0	-54.93	293.87	4.88	-50.05
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)COC1	REAL250004581955	0	31	-1.0	-52.57	267.03	1.70	-50.87
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)COC1	REAL250004581955	1	31	-1.0	-52.53	267.09	1.68	-50.85
O=C(CC(=O)NC1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581956	0	34	-1.0	-68.64	298.56	3.22	-65.42
O=C(CC(=O)NC1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581956	1	34	-1.0	-68.65	298.63	3.21	-65.44
C#CCNC(=O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581957	0	32	-1.0	-67.19	294.49	2.87	-64.32
C#CCNC(=O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581957	1	32	-1.0	-67.17	294.55	2.86	-64.31
CC1CCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581958	0	36	-1.0	-54.14	294.97	5.08	-49.06
CC1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581958	1	36	-1.0	-54.09	295.03	5.07	-49.02
CC1OCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581959	0	34	-1.0	-54.72	286.54	2.69	-52.03
CC1OCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581959	1	34	-1.0	-54.65	286.60	2.67	-51.98
COCCCOCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581960	0	37	-1.0	-60.50	320.89	2.71	-57.79
COCCCOCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581960	1	37	-1.0	-60.45	320.95	2.70	-57.75
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC=CO1	REAL250004581961	0	32	-1.0	-57.07	276.35	4.17	-52.90
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC=CO1	REAL250004581961	1	32	-1.0	-57.02	276.41	4.16	-52.86
CC(C)(C)OCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581962	0	36	-1.0	-57.46	300.02	3.96	-53.50
CC(C)(C)OCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581962	1	36	-1.0	-57.41	300.08	3.95	-53.46
N#CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CN1	REAL250004581963	0	29	-1.0	-61.63	274.67	3.03	-58.60
N#CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CN1	REAL250004581963	1	29	-1.0	-61.58	274.73	3.02	-58.56
COCCCC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581964	0	39	-1.0	-53.54	324.24	3.72	-49.82
COCCCC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581964	1	39	-1.0	-53.47	324.30	3.71	-49.76
CCC1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004581965	0	35	-1.0	-53.43	306.72	4.60	-48.83
CCC1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004581965	1	35	-1.0	-53.39	306.79	4.59	-48.80
O=C(CCCC(F)(F)F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581966	0	32	-1.0	-57.82	292.00	4.53	-53.29
O=C(CCCC(F)(F)F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581966	1	32	-1.0	-57.78	292.06	4.52	-53.26
CCCC(=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)CCC	REAL250004581967	0	42	-1.0	-51.83	343.55	6.94	-44.89
CCCC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CCC	REAL250004581967	1	42	-1.0	-51.75	343.62	6.94	-44.81
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1O	REAL250004581968	0	34	-1.0	-42.75	297.29	2.82	-39.93
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1O	REAL250004581968	1	34	-1.0	-42.72	297.35	2.81	-39.91
CSC(C)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581969	0	36	-1.0	-52.95	313.34	5.13	-47.82
CSC(C)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581969	1	36	-1.0	-52.92	313.41	5.13	-47.79
C#CCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581970	0	34	-1.0	-54.12	301.42	5.44	-48.68
C#CCCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581970	1	34	-1.0	-54.08	301.48	5.43	-48.65
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(O)C=C1F	REAL250004581971	0	31	-1.0	-60.93	281.77	2.14	-58.79
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(O)C=C1F	REAL250004581971	1	31	-1.0	-60.91	281.84	2.13	-58.78
COCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581972	0	34	-1.0	-42.99	290.51	3.70	-39.29
COCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581972	1	34	-1.0	-42.97	290.58	3.69	-39.28
CC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=N1	REAL250004581973	0	34	-1.0	-51.82	294.36	3.54	-48.28
CC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL250004581973	1	34	-1.0	-51.80	294.42	3.53	-48.27
CCC1=NN(C)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581974	0	36	-1.0	-58.68	311.17	3.97	-54.71
CCC1=NN(C)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581974	1	36	-1.0	-58.68	311.23	3.96	-54.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(CCC2)N1	REAL250004581975	0	35	-1.0	-56.41	299.27	4.54	-51.87
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(CCC2)N1	REAL250004581975	1	35	-1.0	-56.35	299.33	4.53	-51.82
CC(Cl)(Cl)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581976	0	26	-1.0	-46.81	261.50	3.75	-43.06
CC(Cl)(Cl)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581976	1	26	-1.0	-46.78	261.56	3.74	-43.04
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(O)CCSC1	REAL250004581977	0	32	-1.0	-54.34	281.76	1.18	-53.16
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(O)CCSC1	REAL250004581977	1	32	-1.0	-54.31	281.83	1.17	-53.14
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1SCCS1	REAL250004581978	0	29	-1.0	-53.59	274.19	4.28	-49.31
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1SCCS1	REAL250004581978	1	29	-1.0	-53.55	274.26	4.27	-49.28
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)N=N1	REAL250004581979	0	34	-1.0	-55.03	294.35	3.32	-51.71
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)N=N1	REAL250004581979	1	34	-1.0	-54.94	294.41	3.31	-51.63
CC1(C)CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581980	0	42	-1.0	-53.43	326.07	6.01	-47.42
CC1(C)CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581980	1	42	-1.0	-53.38	326.14	6.00	-47.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=N1	REAL250004581981	0	29	-1.0	-50.78	270.23	3.12	-47.66
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=N1	REAL250004581981	1	29	-1.0	-50.82	270.16	3.13	-47.69
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC(=O)N1	REAL250004581982	0	33	-1.0	-64.46	292.96	2.39	-62.07
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(=O)N1	REAL250004581982	1	33	-1.0	-64.43	293.03	2.39	-62.04
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=NC=N1	REAL250004581983	0	32	-1.0	-59.12	285.05	4.76	-54.36
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=NC=N1	REAL250004581983	1	32	-1.0	-59.13	284.98	4.77	-54.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CCCO1	REAL250004581984	0	31	-1.0	-58.66	267.37	3.03	-55.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCCO1	REAL250004581984	1	31	-1.0	-58.63	267.43	3.02	-55.61
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1CCCO1	REAL250004581985	0	31	-1.0	-59.03	267.57	3.09	-55.94
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1CCCO1	REAL250004581985	1	31	-1.0	-58.98	267.63	3.08	-55.90
COC(=O)N[C@@H](C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581986	0	34	-1.0	-53.48	299.99	0.58	-52.90
COC(=O)N[C@@H](C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581986	1	34	-1.0	-53.45	300.05	0.57	-52.88
C#CCOCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581987	0	32	-1.0	-53.46	292.18	3.18	-50.28
C#CCOCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581987	1	32	-1.0	-53.40	292.24	3.18	-50.22
CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC1	REAL250004581988	0	42	-1.0	-41.36	323.12	6.05	-35.31
CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC1	REAL250004581988	1	42	-1.0	-41.34	323.18	6.06	-35.28
CC(O)(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004581989	0	37	-1.0	-56.82	303.19	2.92	-53.90
CC(O)(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581989	1	37	-1.0	-56.74	303.25	2.91	-53.83
CCC(CC)C(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581990	0	41	-1.0	-52.43	317.77	5.62	-46.81
CCC(CC)C(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581990	1	41	-1.0	-52.41	317.84	5.62	-46.79
CC1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCO1	REAL250004581991	0	37	-1.0	-54.60	304.63	3.49	-51.11
CC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCO1	REAL250004581991	1	37	-1.0	-54.57	304.69	3.48	-51.09
CC1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004581992	0	36	-1.0	-53.26	295.75	5.08	-48.18
CC1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004581992	1	36	-1.0	-53.20	295.81	5.08	-48.12
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(O)C(F)=C1	REAL250004581993	0	31	-1.0	-52.77	283.72	2.13	-50.64
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(O)C(F)=C1	REAL250004581993	1	31	-1.0	-52.73	283.78	2.12	-50.61
CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL250004581994	0	42	-1.0	-41.58	317.64	6.53	-35.05
CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL250004581994	1	42	-1.0	-41.57	317.72	6.51	-35.06
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CN=C1	REAL250004581995	0	28	-1.0	-52.94	256.53	2.92	-50.02
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CN=C1	REAL250004581995	1	28	-1.0	-52.93	256.47	2.92	-50.01
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=CC=C1O	REAL250004581996	1	30	-1.0	-56.24	272.59	1.63	-54.61
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=CC=C1O	REAL250004581996	1	30	-1.0	-56.18	272.66	1.62	-54.56
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC12CCOC2	REAL250004581997	0	35	-1.0	-41.98	293.93	3.30	-38.68
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CCOC2	REAL250004581997	1	35	-1.0	-42.03	293.99	3.30	-38.73
CN1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1N	REAL250004581998	0	32	-1.0	-53.40	281.68	1.64	-51.76
CN1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1N	REAL250004581998	1	32	-1.0	-53.40	281.62	1.64	-51.76
CCCC1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004581999	0	35	-1.0	-50.48	310.52	1.77	-48.71
CCCC1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004581999	1	35	-1.0	-50.43	310.58	1.76	-48.67
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CCOCC1	REAL250004582000	0	32	-1.0	-53.39	273.95	2.72	-50.67
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CCOCC1	REAL250004582000	1	32	-1.0	-53.32	274.01	2.71	-50.61
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=COC(C2CC2)=N1	REAL250004582001	0	33	-1.0	-50.72	299.00	1.81	-48.91
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=COC(C2CC2)=N1	REAL250004582001	1	33	-1.0	-50.71	299.07	1.80	-48.91
CCC(C)(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582002	0	38	-1.0	-54.38	299.50	4.79	-49.59
CCC(C)(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582002	1	38	-1.0	-54.29	299.56	4.78	-49.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC(=O)N1	REAL250004582003	0	27	-1.0	-56.15	262.48	0.72	-55.43
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC(=O)N1	REAL250004582003	1	27	-1.0	-56.14	262.55	0.71	-55.43
CC(C)(O)C(F)(F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582004	0	33	-1.0	-49.99	287.77	1.96	-48.03
CC(C)(O)C(F)(F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582004	1	33	-1.0	-49.95	287.83	1.95	-48.00
CC1=CN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(O)=C1	REAL250004582005	1	33	-1.0	-55.40	293.82	2.25	-53.15
CC1=CN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(O)=C1	REAL250004582005	1	33	-1.0	-55.40	293.76	2.27	-53.13
COC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582006	0	33	-1.0	-52.09	291.66	4.24	-47.85
COC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582006	1	33	-1.0	-52.07	291.73	4.24	-47.83
CC#CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582007	0	34	-1.0	-58.07	301.47	5.62	-52.45
CC#CCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582007	1	34	-1.0	-58.01	301.54	5.62	-52.39
C#CCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582008	0	34	-1.0	-52.67	293.08	4.89	-47.78
C#CCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582008	1	34	-1.0	-52.60	293.14	4.89	-47.71
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCOC1	REAL250004582009	0	34	-1.0	-52.55	283.14	2.41	-50.14
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCOC1	REAL250004582009	1	34	-1.0	-52.50	283.21	2.40	-50.10
COCCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582010	0	39	-1.0	-57.01	317.51	3.39	-53.62
COCCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582010	1	39	-1.0	-56.98	317.58	3.38	-53.60
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1C=CCCC1	REAL250004582011	0	34	-1.0	-52.44	283.84	5.05	-47.39
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C=CCCC1	REAL250004582011	1	34	-1.0	-52.40	283.90	5.05	-47.35
COC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004582012	0	34	-1.0	-39.86	286.38	2.63	-37.23
COC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004582012	1	34	-1.0	-39.84	286.45	2.62	-37.22
COC1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582013	0	30	-1.0	-48.67	278.25	0.32	-48.35
COC1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582013	1	30	-1.0	-48.71	278.19	0.32	-48.39
NC(=O)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004582014	0	31	-1.0	-64.69	288.05	-0.29	-64.98
NC(=O)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004582014	1	31	-1.0	-64.68	288.11	-0.30	-64.98
O=C(CC1=CC=CC(O)=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582015	0	34	-1.0	-45.47	302.19	2.72	-42.75
O=C(CC1=CC=CC(O)=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582015	1	34	-1.0	-45.42	302.25	2.71	-42.71
CCNC(=O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582016	0	33	-1.0	-68.08	288.71	2.37	-65.71
CCNC(=O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582016	1	33	-1.0	-68.05	288.78	2.36	-65.69
CNC(=O)CCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582017	0	36	-1.0	-67.87	312.25	1.69	-66.18
CNC(=O)CCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582017	1	36	-1.0	-67.78	312.31	1.68	-66.10
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCCC1	REAL250004582018	0	42	-1.0	-54.72	305.81	6.28	-48.44
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCCC1	REAL250004582018	1	42	-1.0	-54.73	305.87	6.27	-48.46
CCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1C	REAL250004582019	0	36	-1.0	-55.69	313.52	3.92	-51.77
CCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1C	REAL250004582019	1	36	-1.0	-55.65	313.58	3.91	-51.74
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCOC1	REAL250004582020	0	37	-1.0	-55.06	297.44	3.30	-51.76
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCOC1	REAL250004582020	1	37	-1.0	-55.01	297.50	3.28	-51.73
C#CCCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582021	0	37	-1.0	-56.63	322.65	6.23	-50.40
C#CCCCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582021	1	37	-1.0	-56.57	322.71	6.22	-50.35
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(O)CCC1	REAL250004582022	0	31	-1.0	-53.37	266.04	0.82	-52.55
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(O)CCC1	REAL250004582022	1	31	-1.0	-53.34	266.10	0.81	-52.53
CC1CC(C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582023	0	42	-1.0	-52.80	326.74	6.10	-46.70
CC1CC(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582023	1	42	-1.0	-52.76	326.81	6.09	-46.67
CC1(C)CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582024	0	39	-1.0	-53.59	315.11	5.63	-47.96
CC1(C)CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582024	1	39	-1.0	-53.56	315.17	5.62	-47.94
CCCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004582025	0	36	-1.0	-53.87	314.66	4.27	-49.60
CCCN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004582025	1	36	-1.0	-53.97	314.60	4.28	-49.69
COC(C)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582026	0	36	-1.0	-53.71	305.58	3.21	-50.50
COC(C)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582026	1	36	-1.0	-53.68	305.64	3.20	-50.48
C[C@H](C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL250004582027	0	36	-1.0	-54.41	306.87	6.10	-48.31
C[C@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL250004582027	1	36	-1.0	-54.34	306.93	6.09	-48.25
C[C@@H](C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL250004582028	0	36	-1.0	-54.41	306.86	6.10	-48.31
C[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL250004582028	1	36	-1.0	-54.35	306.92	6.10	-48.25
CCC(C)C(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582029	0	38	-1.0	-53.06	302.98	5.09	-47.97
CCC(C)C(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582029	1	38	-1.0	-53.00	303.04	5.08	-47.92
CC(C)OCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582030	0	39	-1.0	-57.38	328.16	4.15	-53.23
CC(C)OCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582030	1	39	-1.0	-57.32	328.23	4.14	-53.18
CN1C(=O)CC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582031	0	34	-1.0	-62.06	292.03	2.58	-59.48
CN1C(=O)CC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582031	1	34	-1.0	-62.05	292.10	2.58	-59.47
O=C(NCC(F)F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582032	0	30	-1.0	-50.65	282.65	0.59	-50.06
O=C(NCC(F)F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582032	1	30	-1.0	-50.61	282.71	0.58	-50.03
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CN1C(=O)CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582090	1	34	-1.0	-63.14	295.59	2.93	-60.21
CC1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004582091	0	29	-1.0	-51.37	267.53	0.23	-51.14
CC1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004582091	1	29	-1.0	-51.36	267.60	0.22	-51.14
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL250004582092	0	36	-1.0	-42.84	306.88	6.10	-36.74
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL250004582092	1	36	-1.0	-42.79	306.94	6.09	-36.70
C[C@H](NC(N)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582093	0	32	-1.0	-53.56	282.09	-1.67	-55.23
C[C@H](NC(N)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582093	1	32	-1.0	-53.53	282.15	-1.68	-55.21
CC(=O)OC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582094	0	35	-1.0	-54.87	297.73	4.60	-50.27
CC(=O)OC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582094	1	35	-1.0	-54.80	297.80	4.58	-50.22
CC1=CC(C)=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582095	0	35	-1.0	-53.12	306.85	4.45	-48.67
CC1=CC(C)=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582095	1	35	-1.0	-53.08	306.91	4.44	-48.64
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC(F)C1	REAL250004582096	0	33	-1.0	-54.55	280.41	4.56	-49.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(F)C1	REAL250004582096	1	33	-1.0	-54.51	280.48	4.55	-49.96
CN1C=C(C(O)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004582097	0	34	-1.0	-46.83	303.48	1.21	-45.62
CN1C=C(C(O)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004582097	1	34	-1.0	-46.86	303.41	1.21	-45.65
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C2CC2)=NO1	REAL250004582098	0	33	-1.0	-48.53	297.32	4.42	-44.11
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C2CC2)=NO1	REAL250004582098	1	33	-1.0	-48.48	297.38	4.41	-44.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1CCCC(=O)N1	REAL250004582099	0	34	-1.0	-61.49	290.65	1.44	-60.05
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1CCCC(=O)N1	REAL250004582099	1	34	-1.0	-61.48	290.71	1.43	-60.05
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(F)CCC1	REAL250004582100	0	30	-1.0	-50.53	264.30	3.90	-46.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(F)CCC1	REAL250004582100	1	30	-1.0	-50.50	264.36	3.90	-46.60
CCOCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582101	0	37	-1.0	-43.18	312.37	4.67	-38.51
CCOCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582101	1	37	-1.0	-43.12	312.43	4.67	-38.45
CC1CC(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004582102	0	37	-1.0	-58.42	304.88	4.55	-53.87
CC1CC(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582102	1	37	-1.0	-58.39	304.94	4.54	-53.85
CCC1CCCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582103	0	42	-1.0	-53.20	326.91	6.34	-46.86
CCC1CCCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582103	1	42	-1.0	-53.20	326.99	6.33	-46.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CON=C1C1CC1	REAL250004582104	0	33	-1.0	-56.98	295.44	4.54	-52.44
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CON=C1C1CC1	REAL250004582104	1	33	-1.0	-56.97	295.51	4.53	-52.44
CCCC(C)(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582105	0	41	-1.0	-54.24	321.27	5.55	-48.69
CCCC(C)(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582105	1	41	-1.0	-54.17	321.34	5.54	-48.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=N1	REAL250004582106	0	29	-1.0	-49.58	270.21	3.24	-46.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=N1	REAL250004582106	1	29	-1.0	-49.65	270.15	3.25	-46.40
CSCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582107	0	36	-1.0	-51.62	309.40	4.87	-46.75
CSCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582107	1	36	-1.0	-51.53	309.46	4.86	-46.67
O=C(C=CC1=CN=CS1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582108	0	30	-1.0	-54.52	286.09	3.38	-51.14
O=C(C=CC1=CN=CS1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582108	1	30	-1.0	-54.50	286.15	3.37	-51.13
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H]1C(F)F	REAL250004582109	0	30	-1.0	-57.21	276.16	4.30	-52.91
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H]1C(F)F	REAL250004582109	1	30	-1.0	-57.20	276.23	4.30	-52.90
CCCCC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582110	0	38	-1.0	-53.61	312.06	5.43	-48.18
CCCCC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582110	1	38	-1.0	-53.57	312.13	5.42	-48.15
CC(CC(N)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582111	0	33	-1.0	-51.48	284.41	0.02	-51.46
CC(CC(N)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582111	1	33	-1.0	-51.46	284.48	0.02	-51.44
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C=O)N1	REAL250004582112	0	33	-1.0	-56.66	295.15	2.92	-53.74
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C=O)N1	REAL250004582112	1	33	-1.0	-56.58	295.21	2.91	-53.67
CN1N=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582113	0	29	-1.0	-41.78	259.66	1.44	-40.34
CN1N=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582113	1	29	-1.0	-41.79	259.59	1.45	-40.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCOCC1	REAL250004582114	0	37	-1.0	-53.31	294.67	3.24	-50.07
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCOCC1	REAL250004582114	1	37	-1.0	-53.28	294.73	3.23	-50.05
COC(C)(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582115	0	36	-1.0	-56.76	293.40	3.75	-53.01
COC(C)(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582115	1	36	-1.0	-56.73	293.46	3.75	-52.98
CNC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004582116	0	34	-1.0	-54.69	296.33	2.76	-51.93
CNC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004582116	1	34	-1.0	-54.77	296.26	2.77	-52.00
CC1=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC=N1	REAL250004582118	0	33	-1.0	-60.31	291.26	3.64	-56.67
CC1=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC=N1	REAL250004582118	1	33	-1.0	-60.30	291.32	3.63	-56.67
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=CS1	REAL250004582119	0	26	-1.0	-50.70	254.72	2.00	-48.70
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=CS1	REAL250004582119	1	26	-1.0	-50.71	254.65	2.00	-48.71
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C#N)O1	REAL250004582120	0	31	-1.0	-50.48	288.64	4.22	-46.26
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C#N)O1	REAL250004582120	1	31	-1.0	-50.48	288.71	4.21	-46.27
CC(C)(C#N)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582121	0	33	-1.0	-50.31	283.34	4.10	-46.21
CC(C)(C#N)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582121	1	33	-1.0	-50.28	283.41	4.09	-46.19
CCC(C)(OC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582122	0	36	-1.0	-58.55	293.89	3.70	-54.85
CCC(C)(OC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582122	1	36	-1.0	-58.55	293.95	3.69	-54.86
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC(F)(F)C1	REAL250004582123	0	33	-1.0	-58.33	286.78	4.65	-53.68
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(F)(F)C1	REAL250004582123	1	33	-1.0	-58.30	286.84	4.65	-53.65
CC1(C)CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004582124	0	37	-1.0	-59.39	308.31	4.43	-54.96
CC1(C)CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582124	1	37	-1.0	-59.33	308.37	4.42	-54.91
CCN1C=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582125	0	33	-1.0	-51.37	289.44	4.23	-47.14
CCN1C=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582125	1	33	-1.0	-51.44	289.37	4.24	-47.20
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC=C1	REAL250004582126	0	31	-1.0	-56.32	271.33	3.38	-52.94
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC=C1	REAL250004582126	1	31	-1.0	-56.15	271.69	3.36	-52.79
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL250004582127	0	33	-1.0	-52.99	289.70	4.46	-48.53
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL250004582127	1	33	-1.0	-52.98	289.77	4.45	-48.53
C#CC1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582128	0	31	-1.0	-54.66	288.81	4.30	-50.36
C#CC1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582128	1	31	-1.0	-54.61	288.87	4.29	-50.32
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CN=C1F	REAL250004582129	0	29	-1.0	-63.85	265.88	3.10	-60.75
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CN=C1F	REAL250004582129	1	29	-1.0	-63.88	265.81	3.11	-60.77
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(O)=C1	REAL250004582130	0	30	-1.0	-54.95	272.56	0.25	-54.70
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(O)=C1	REAL250004582130	1	30	-1.0	-54.86	272.62	0.24	-54.62
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004582131	0	32	-1.0	-54.20	283.33	3.74	-50.46
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004582131	1	32	-1.0	-54.16	283.40	3.73	-50.43
O=C(CCC1=NC=CN1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582132	0	33	-1.0	-53.42	291.94	3.06	-50.36
O=C(CCC1=NC=CN1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582132	1	33	-1.0	-53.36	292.01	3.05	-50.31
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=N1	REAL250004582133	0	35	-1.0	-56.06	301.45	4.19	-51.87
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=N1	REAL250004582133	1	35	-1.0	-56.00	301.51	4.18	-51.82
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC(O)CC1	REAL250004582134	0	37	-1.0	-57.03	301.10	1.93	-55.10
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(O)CC1	REAL250004582134	1	37	-1.0	-57.02	301.17	1.92	-55.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(CO)=C1	REAL250004582135	0	34	-1.0	-58.01	299.35	2.21	-55.80
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(CO)=C1	REAL250004582135	1	34	-1.0	-57.96	299.41	2.20	-55.76
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CS1	REAL250004582136	0	26	-1.0	-54.02	253.75	2.04	-51.98
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CS1	REAL250004582136	1	26	-1.0	-54.02	253.69	2.05	-51.97
O=C(CC1CCCOC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582137	0	37	-1.0	-57.65	301.71	3.49	-54.16
O=C(CC1CCCOC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582137	1	37	-1.0	-57.58	301.77	3.48	-54.10
O=C(CCC1=CN=CC=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582138	0	34	-1.0	-54.38	301.25	2.75	-51.63
O=C(CCC1=CN=CC=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582138	1	34	-1.0	-54.33	301.31	2.74	-51.59
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CN1C	REAL250004582139	0	34	-1.0	-55.93	292.32	5.00	-50.93
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1C	REAL250004582139	1	34	-1.0	-55.90	292.39	4.99	-50.91
CC(C)N1C=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582140	0	36	-1.0	-54.08	313.60	5.40	-48.68
CC(C)N1C=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582140	1	36	-1.0	-54.19	313.54	5.41	-48.78
C=CC(C)(O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582141	0	34	-1.0	-52.49	285.98	2.46	-50.03
C=CC(C)(O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582141	1	34	-1.0	-52.45	286.04	2.46	-49.99
CC1COCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582142	0	37	-1.0	-55.09	300.26	3.30	-51.79
CC1COCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582142	1	37	-1.0	-55.06	300.32	3.29	-51.77
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NS1	REAL250004582143	0	29	-1.0	-51.73	274.96	3.18	-48.55
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NS1	REAL250004582143	1	29	-1.0	-51.70	275.03	3.17	-48.53
CC(C)C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL250004582144	0	36	-1.0	-53.33	309.69	5.09	-48.24
CC(C)C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL250004582144	1	36	-1.0	-53.30	309.75	5.08	-48.22
CCC1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582145	0	35	-1.0	-53.29	304.26	4.53	-48.76
CCC1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582145	1	35	-1.0	-53.34	304.19	4.54	-48.80
CC(C)(C(N)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582146	0	33	-1.0	-68.23	281.20	1.29	-66.94
CC(C)(C(N)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582146	1	33	-1.0	-68.16	281.27	1.28	-66.88
CSC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004582147	0	34	-1.0	-39.61	299.15	4.92	-34.69
CSC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004582147	1	34	-1.0	-39.62	299.21	4.92	-34.70
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004582148	0	32	-1.0	-40.77	295.59	3.59	-37.18
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582148	1	32	-1.0	-40.80	295.66	3.58	-37.22
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCN1C1CC1	REAL250004582149	0	39	-1.0	-56.88	322.20	3.74	-53.14
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCN1C1CC1	REAL250004582149	1	39	-1.0	-56.85	322.26	3.73	-53.12
O=C(CC1=NC=CC=C1F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582150	0	32	-1.0	-57.29	291.19	3.75	-53.54
O=C(CC1=NC=CC=C1F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582150	1	32	-1.0	-57.26	291.26	3.74	-53.52
CC1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582151	0	31	-1.0	-59.03	281.04	2.99	-56.04
CC1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582151	1	31	-1.0	-59.06	281.10	2.99	-56.07
CC(C)(O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582152	0	33	-1.0	-52.57	275.32	1.91	-50.66
CC(C)(O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582152	1	33	-1.0	-52.53	275.39	1.90	-50.63
O=C(CCOCC(F)F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582153	0	33	-1.0	-54.14	299.41	2.96	-51.18
O=C(CCOCC(F)F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582153	1	33	-1.0	-54.12	299.47	2.95	-51.17
CC1C(=O)CCC1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582154	0	38	-1.0	-54.53	317.70	4.92	-49.61
CC1C(=O)CCC1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582154	1	38	-1.0	-54.48	317.77	4.91	-49.57
O=C(CCC(F)F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582155	0	29	-1.0	-55.39	265.03	3.64	-51.75
O=C(CCC(F)F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582155	1	29	-1.0	-55.34	265.09	3.63	-51.71
CC=C(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582156	0	33	-1.0	-53.81	280.24	4.60	-49.21
CC=C(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582156	1	33	-1.0	-53.80	280.29	4.59	-49.21
CN1C=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582157	0	30	-1.0	-43.66	266.25	4.04	-39.62
CN1C=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582157	1	30	-1.0	-43.67	266.18	4.04	-39.63
COC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004582158	0	34	-1.0	-55.51	291.31	4.29	-51.22
COC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004582158	1	34	-1.0	-55.47	291.38	4.29	-51.18
CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)F	REAL250004582159	0	32	-1.0	-52.55	279.24	3.99	-48.56
CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)F	REAL250004582159	1	32	-1.0	-52.49	279.31	3.99	-48.50
CN1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C#N	REAL250004582160	0	31	-1.0	-59.96	289.99	2.76	-57.20
CN1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C#N	REAL250004582160	1	31	-1.0	-60.01	289.93	2.77	-57.24
COC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL250004582161	0	37	-1.0	-39.61	299.71	3.26	-36.35
COC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL250004582161	1	37	-1.0	-39.55	300.17	3.20	-36.35
CN1C=CC(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582162	0	35	-1.0	-56.64	309.51	5.84	-50.80
CN1C=CC(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582162	1	35	-1.0	-56.62	309.58	5.83	-50.79
CCC(C)C(OC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582163	0	39	-1.0	-56.80	316.40	4.42	-52.38
CCC(C)C(OC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582163	1	39	-1.0	-56.72	316.47	4.42	-52.30
COC1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582164	0	32	-1.0	-49.79	290.85	-0.14	-49.93
COC1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582164	1	32	-1.0	-49.83	290.78	-0.14	-49.97
O=C(C[C@H]1CCOC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582165	0	34	-1.0	-56.58	285.07	2.65	-53.93
O=C(C[C@H]1CCOC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582165	1	34	-1.0	-56.51	285.14	2.64	-53.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)OC=C1	REAL250004582166	0	27	-1.0	-55.67	264.88	3.45	-52.22
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)OC=C1	REAL250004582166	1	27	-1.0	-55.62	264.94	3.44	-52.18
CSC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582167	0	31	-1.0	-39.70	285.65	4.40	-35.30
CSC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582167	1	31	-1.0	-39.65	285.72	4.40	-35.25
CN1C=CC=C1C(=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582169	0	33	-1.0	-51.14	291.30	4.19	-46.95
CN1C=CC=C1C(=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582169	1	33	-1.0	-51.06	291.36	4.19	-46.87
CC(C)[C@H](O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582170	0	33	-1.0	-53.59	277.88	1.89	-51.70
CC(C)[C@H](O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582170	1	33	-1.0	-53.55	277.95	1.88	-51.67
CCC(C)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582171	0	38	-1.0	-53.88	309.66	5.31	-48.57
CCC(C)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582171	1	38	-1.0	-53.79	309.73	5.30	-48.49
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2CCCC2=CO1	REAL250004582172	0	34	-1.0	-54.15	295.88	4.83	-49.32
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2CCCC2=CO1	REAL250004582172	1	34	-1.0	-54.07	295.95	4.82	-49.25
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(O)C1=CC=CN=C1	REAL250004582173	0	33	-1.0	-58.08	293.17	1.76	-56.32
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(O)C1=CC=CN=C1	REAL250004582173	1	33	-1.0	-58.10	293.10	1.77	-56.33
CC1=NOC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582174	0	32	-1.0	-61.57	288.08	3.76	-57.81
CC1=NOC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582174	1	32	-1.0	-61.52	288.15	3.75	-57.77
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(O)C1CC1	REAL250004582175	0	31	-1.0	-53.14	269.95	2.16	-50.98
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(O)C1CC1	REAL250004582175	1	31	-1.0	-53.14	270.02	2.15	-50.99
CCC1OCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582176	0	37	-1.0	-53.37	308.20	3.51	-49.86
CCC1OCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582176	1	37	-1.0	-53.29	308.26	3.50	-49.79
COC(=O)COCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582177	0	33	-1.0	-68.38	300.22	3.33	-65.05
COC(=O)COCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582177	1	33	-1.0	-68.31	300.28	3.32	-64.99
CC(C)[C@@H](O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582178	0	33	-1.0	-53.62	278.31	1.88	-51.74
CC(C)[C@@H](O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582178	1	33	-1.0	-53.63	278.37	1.87	-51.76
CC(O)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004582179	0	34	-1.0	-50.87	286.83	1.32	-49.55
CC(O)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004582179	1	34	-1.0	-50.79	286.90	1.31	-49.48
CC1(C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582180	0	36	-1.0	-41.02	291.60	4.86	-36.16
CC1(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582180	1	36	-1.0	-40.92	291.66	4.85	-36.07
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004582181	0	30	-1.0	-55.19	279.73	4.62	-50.57
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004582181	1	30	-1.0	-55.16	279.80	4.62	-50.54
CC1=COC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004582182	0	33	-1.0	-52.44	289.74	4.27	-48.17
CC1=COC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004582182	1	33	-1.0	-52.42	290.09	4.25	-48.17
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL250004582183	0	34	-1.0	-55.32	293.36	4.07	-51.25
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL250004582183	1	34	-1.0	-55.31	293.43	4.06	-51.25
CC(C)C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL250004582184	0	37	-1.0	-55.88	313.48	4.65	-51.23
CC(C)C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL250004582184	1	37	-1.0	-55.88	313.54	4.65	-51.23
CCC(C)(C#N)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582185	0	33	-1.0	-53.08	285.62	3.85	-49.23
CCC(C)(C#N)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582185	1	33	-1.0	-53.05	285.69	3.85	-49.20
O=C(COC(F)F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582186	0	27	-1.0	-55.51	255.19	2.23	-53.28
O=C(COC(F)F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582186	1	27	-1.0	-55.50	255.25	2.22	-53.28
CC1=NC=CC=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582187	0	35	-1.0	-57.20	302.96	4.24	-52.96
CC1=NC=CC=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582187	1	35	-1.0	-57.17	303.03	4.23	-52.94
COCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004582188	0	37	-1.0	-53.23	306.22	4.12	-49.11
COCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004582188	1	37	-1.0	-53.23	306.29	4.11	-49.12
CN1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582189	0	29	-1.0	-42.57	266.90	1.05	-41.52
CN1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582189	1	29	-1.0	-42.56	266.84	1.05	-41.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1COC(=O)N1	REAL250004582190	0	29	-1.0	-63.87	263.25	-0.81	-64.68
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1COC(=O)N1	REAL250004582190	1	29	-1.0	-63.86	263.32	-0.81	-64.67
CC1=COC(C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582191	0	33	-1.0	-54.64	295.04	4.29	-50.35
CC1=COC(C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582191	1	33	-1.0	-54.59	295.11	4.29	-50.30
CC(C)C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC=C1	REAL250004582192	0	36	-1.0	-53.26	309.55	4.92	-48.34
CC(C)C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC=C1	REAL250004582192	1	36	-1.0	-53.24	309.62	4.91	-48.33
CC1=NC=CN1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582193	0	33	-1.0	-61.75	292.71	4.45	-57.30
CC1=NC=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582193	1	33	-1.0	-61.65	292.78	4.44	-57.21
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CN=C1F	REAL250004582194	0	32	-1.0	-51.45	288.06	3.69	-47.76
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CN=C1F	REAL250004582194	1	32	-1.0	-51.50	288.00	3.70	-47.80
C=CC(C)(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582195	0	31	-1.0	-50.24	271.91	0.75	-49.49
C=CC(C)(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582195	1	31	-1.0	-50.20	271.97	0.74	-49.46
CN(C)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582196	0	35	-1.0	-39.97	292.56	2.23	-37.74
CN(C)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582196	1	35	-1.0	-39.94	292.63	2.23	-37.71
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=CN1	REAL250004582197	0	27	-1.0	-51.82	249.62	1.63	-50.19
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=CN1	REAL250004582197	1	27	-1.0	-51.77	249.69	1.62	-50.15
CC(C)C#CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582199	0	31	-1.0	-53.49	280.52	4.63	-48.86
CC(C)C#CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582199	1	31	-1.0	-53.06	280.58	4.63	-48.43
O=CN1CCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582200	0	34	-1.0	-62.30	294.01	2.80	-59.50
O=CN1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582200	1	34	-1.0	-62.30	294.08	2.79	-59.51
O=C(CCC1=NNN=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582201	0	32	-1.0	-53.04	286.07	1.45	-51.59
O=C(CCC1=NNN=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582201	1	32	-1.0	-52.97	286.14	1.44	-51.53
CC1=CNN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582202	0	30	-1.0	-54.83	267.51	2.05	-52.78
CC1=CNN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582202	1	30	-1.0	-54.75	267.58	2.05	-52.70
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC=CCC1	REAL250004582203	0	37	-1.0	-54.61	299.45	5.38	-49.23
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC=CCC1	REAL250004582203	1	37	-1.0	-54.53	299.51	5.37	-49.16
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004582204	0	30	-1.0	-53.20	274.48	4.61	-48.59
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004582204	1	30	-1.0	-53.16	274.54	4.60	-48.56
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CN1N=CC(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582206	0	35	-1.0	-54.66	309.14	2.55	-52.11
CN1N=CC(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582206	1	35	-1.0	-54.63	309.20	2.54	-52.09
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CC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582209	0	33	-1.0	-53.60	284.44	4.80	-48.80
CC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582209	1	33	-1.0	-53.54	284.51	4.79	-48.75
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1(F)F	REAL250004582210	1	27	-1.0	-52.00	254.72	3.51	-48.49
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CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL250004582212	0	39	-1.0	-54.63	308.51	5.49	-49.14
CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582212	1	39	-1.0	-54.65	308.57	5.48	-49.17
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)=C1CCC1	REAL250004582214	0	34	-1.0	-54.76	287.81	5.37	-49.39
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)=C1CCC1	REAL250004582214	1	34	-1.0	-54.73	287.87	5.36	-49.37
CCC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582215	0	35	-1.0	-41.11	307.02	4.56	-36.55
CCC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582215	1	35	-1.0	-41.09	307.08	4.56	-36.53
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C(=O)C2CC2)CC1	REAL250004582216	0	36	-1.0	-41.34	318.16	5.35	-35.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C(=O)C2CC2)CC1	REAL250004582216	1	36	-1.0	-41.28	318.23	5.34	-35.94
O=C(C#CC1=CC=CS1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582217	0	29	-1.0	-52.91	287.75	5.34	-47.57
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CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582218	0	39	-1.0	-53.93	324.96	6.13	-47.80
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582218	1	39	-1.0	-53.92	325.03	6.12	-47.80
CC1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1C	REAL250004582219	0	42	-1.0	-53.79	322.85	6.01	-47.78
CC1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1C	REAL250004582219	1	42	-1.0	-53.75	322.93	6.00	-47.75
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582220	0	35	-1.0	-53.77	299.89	3.24	-50.53
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582220	1	35	-1.0	-53.75	299.96	3.23	-50.52
CC(C)CCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582221	0	38	-1.0	-54.02	312.93	5.44	-48.58
CC(C)CCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582221	1	38	-1.0	-53.96	312.99	5.43	-48.53
CCCC1CCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582222	0	42	-1.0	-54.08	336.41	6.57	-47.51
CCCC1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582222	1	42	-1.0	-54.05	336.48	6.56	-47.49
CC1=CN=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582223	0	32	-1.0	-52.74	277.79	3.80	-48.94
CC1=CN=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582223	1	32	-1.0	-52.80	277.73	3.81	-48.99
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004582224	0	32	-1.0	-57.73	291.02	-0.57	-58.30
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004582224	1	32	-1.0	-57.79	291.09	-0.59	-58.38
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CCC1CCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582227	0	39	-1.0	-54.37	310.21	5.66	-48.71
CCC1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582227	1	39	-1.0	-54.33	310.27	5.65	-48.68
C#CCOC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582228	0	32	-1.0	-60.26	290.94	4.08	-56.18
C#CCOC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582228	1	32	-1.0	-60.22	291.00	4.08	-56.14
CCC(C)=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582229	0	33	-1.0	-52.19	282.11	4.67	-47.52
CCC(C)=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582229	1	33	-1.0	-52.14	282.18	4.66	-47.48
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O=C(C=CC1CCOC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582230	1	35	-1.0	-56.26	300.86	3.27	-52.99
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN2CCCC2=C1	REAL250004582231	0	34	-1.0	-56.99	295.99	3.53	-53.46
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN2CCCC2=C1	REAL250004582231	1	34	-1.0	-56.91	296.05	3.52	-53.39
CC1CCCC1(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582232	0	39	-1.0	-55.13	305.41	5.89	-49.24
CC1CCCC1(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582232	1	39	-1.0	-55.10	305.48	5.88	-49.22
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C#N)N1	REAL250004582233	0	32	-1.0	-52.64	292.42	3.62	-49.02
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C#N)N1	REAL250004582233	1	32	-1.0	-52.64	292.49	3.61	-49.03
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2CCCN2N=C1	REAL250004582234	0	34	-1.0	-55.94	295.31	3.44	-52.50
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O=C(C=CC1=CNN=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582235	0	31	-1.0	-56.22	281.58	2.64	-53.58
O=C(C=CC1=CNN=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582235	1	31	-1.0	-55.99	281.80	2.63	-53.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)NN=C1	REAL250004582236	0	29	-1.0	-57.29	266.47	0.43	-56.86
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)NN=C1	REAL250004582236	1	29	-1.0	-57.27	266.53	0.42	-56.85
CC1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582237	0	31	-1.0	-64.77	276.53	3.15	-61.62
CC1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582237	1	31	-1.0	-64.68	276.60	3.15	-61.53
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CNC(=O)O1	REAL250004582238	0	29	-1.0	-51.64	263.57	-0.42	-52.06
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CNC(=O)O1	REAL250004582238	1	29	-1.0	-51.65	263.64	-0.44	-52.09
CC1=NN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL250004582239	0	28	-1.0	-50.19	271.67	1.65	-48.54
CC1=NN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL250004582239	1	28	-1.0	-50.13	271.73	1.64	-48.49
C=CC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582240	0	33	-1.0	-53.93	278.37	4.21	-49.72
C=CC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582240	1	33	-1.0	-53.94	278.44	4.20	-49.74
CC(F)(F)C(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582241	0	35	-1.0	-61.85	292.65	4.41	-57.44
CC(F)(F)C(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582241	1	35	-1.0	-61.80	292.72	4.40	-57.40
O=C(CSC1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582242	0	31	-1.0	-56.07	286.26	4.72	-51.35
O=C(CSC1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582242	1	31	-1.0	-56.07	286.32	4.71	-51.36
CC1=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL250004582243	0	36	-1.0	-60.48	313.06	3.85	-56.63
CC1=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL250004582243	1	36	-1.0	-60.43	313.13	3.85	-56.58
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H]1C1CC1	REAL250004582244	0	34	-1.0	-54.40	295.07	5.62	-48.78
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H]1C1CC1	REAL250004582244	1	34	-1.0	-54.35	295.13	5.61	-48.74
CC1=NN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004582245	0	33	-1.0	-65.45	293.28	3.59	-61.86
CC1=NN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004582245	1	33	-1.0	-65.37	293.35	3.58	-61.79
CNC(=O)NCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582246	0	35	-1.0	-66.69	306.53	-0.43	-67.12
CNC(=O)NCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582246	1	35	-1.0	-66.68	306.59	-0.45	-67.13
CCN1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582247	0	32	-1.0	-51.57	288.70	1.88	-49.69
CCN1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582247	1	32	-1.0	-51.63	288.64	1.89	-49.74
CCOC1=NNC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582248	0	34	-1.0	-52.72	303.56	0.13	-52.59
CCOC1=NNC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582248	1	34	-1.0	-52.77	303.49	0.14	-52.63
CCCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NO1	REAL250004582249	0	35	-1.0	-50.08	310.16	4.55	-45.53
CCCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NO1	REAL250004582249	1	35	-1.0	-49.99	310.22	4.54	-45.45
N#CC1=CSC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582250	0	28	-1.0	-67.98	275.95	4.12	-63.86
N#CC1=CSC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582250	1	28	-1.0	-67.93	276.01	4.11	-63.82
CCC1CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582251	0	33	-1.0	-53.32	278.97	4.81	-48.51
CCC1CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582251	1	33	-1.0	-53.32	279.03	4.80	-48.52
O=C(CC1=NC=CN1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582252	0	30	-1.0	-65.55	269.74	2.31	-63.24
O=C(CC1=NC=CN1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582252	1	30	-1.0	-65.47	269.80	2.30	-63.17
O=C(CCC1=NOC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582253	0	32	-1.0	-54.08	287.25	3.68	-50.40
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)(F)F	REAL250004582254	0	32	-1.0	-61.32	278.51	4.02	-57.30
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)(F)F	REAL250004582254	1	32	-1.0	-61.24	278.57	4.02	-57.22
CC(O)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL250004582255	0	37	-1.0	-50.95	304.29	2.32	-48.63
CC(O)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582255	1	37	-1.0	-50.90	304.35	2.31	-48.59
CCN1N=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582256	0	32	-1.0	-40.72	277.56	2.59	-38.13
CCN1N=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582256	1	32	-1.0	-40.74	277.50	2.60	-38.14
N#CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582257	0	30	-1.0	-63.29	273.22	3.88	-59.41
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CCC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582272	0	36	-1.0	-53.66	305.96	5.58	-48.08
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582272	1	36	-1.0	-53.59	306.02	5.57	-48.02
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CCC(O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582276	0	33	-1.0	-58.47	283.04	1.67	-56.80
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CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004582296	0	36	-1.0	-41.70	292.77	5.04	-36.66
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CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1C	REAL250004582299	1	37	-1.0	-56.04	313.03	5.69	-50.35
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CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL250004582303	0	39	-1.0	-53.20	308.85	5.68	-47.52
CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL250004582303	1	39	-1.0	-53.15	308.92	5.68	-47.47
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CCOC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582305	1	37	-1.0	-56.39	313.26	3.79	-52.60
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC(=O)N1	REAL250004582306	0	31	-1.0	-51.28	275.93	0.24	-51.04
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC(=O)N1	REAL250004582306	1	31	-1.0	-51.23	276.27	0.22	-51.01
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CC1CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582315	1	37	-1.0	-53.47	303.23	5.73	-47.74
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CC(C)CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582317	0	41	-1.0	-54.07	334.42	6.22	-47.85
CC(C)CCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582317	1	41	-1.0	-54.03	334.49	6.21	-47.82
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CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCO1	REAL250004582318	1	37	-1.0	-50.43	297.96	3.63	-46.80
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL250004582322	0	36	-1.0	-54.39	297.28	5.22	-49.17
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582322	1	36	-1.0	-54.34	297.35	5.21	-49.13
CCC(CC(F)F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582323	0	35	-1.0	-54.89	297.45	4.62	-50.27
CCC(CC(F)F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582323	1	35	-1.0	-54.84	297.51	4.61	-50.23
CCC(C)(C)OCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582324	0	39	-1.0	-57.92	316.56	4.61	-53.31
CCC(C)(C)OCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582324	1	39	-1.0	-57.85	316.62	4.60	-53.25
CC(C)(C)C1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582325	0	42	-1.0	-53.98	331.21	6.09	-47.89
CC(C)(C)C1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582325	1	42	-1.0	-53.95	331.27	6.09	-47.86
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CC(C)(C)C#CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582327	0	34	-1.0	-53.17	300.66	5.17	-48.00
CC(C)(C)C#CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582327	1	34	-1.0	-53.15	300.72	5.16	-47.99
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CC1=NON=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582328	1	31	-1.0	-65.82	283.44	2.09	-63.73
CC1=CN(C)N=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582329	0	33	-1.0	-55.75	290.40	3.37	-52.38
CC1=CN(C)N=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582329	1	33	-1.0	-55.82	290.34	3.38	-52.44
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CCC(CC(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582332	0	41	-1.0	-53.10	325.67	5.92	-47.18
CCC(CC(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582332	1	41	-1.0	-53.10	325.73	5.90	-47.20
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC(=O)CC1	REAL250004582333	0	38	-1.0	-55.33	307.22	4.60	-50.73
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC(=O)CC1	REAL250004582333	1	38	-1.0	-55.30	307.29	4.60	-50.70
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL250004582334	0	33	-1.0	-41.92	290.32	3.34	-38.58
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COCC(C)(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582335	1	39	-1.0	-54.88	316.00	3.67	-51.21
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CCC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582337	0	35	-1.0	-52.78	306.02	4.59	-48.19
CCC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582337	1	35	-1.0	-52.74	306.08	4.58	-48.16
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CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1C	REAL250004582339	0	35	-1.0	-53.18	302.39	4.34	-48.84
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1C	REAL250004582339	1	35	-1.0	-53.14	302.46	4.33	-48.81
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COC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL250004582341	0	34	-1.0	-56.63	303.29	1.87	-54.76
COC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL250004582341	1	34	-1.0	-56.62	303.22	1.88	-54.74
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CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL250004582343	0	31	-1.0	-51.58	280.18	2.65	-48.93
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL250004582343	1	31	-1.0	-51.52	280.24	2.64	-48.88
CCCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL250004582344	0	37	-1.0	-55.71	314.86	4.84	-50.87
CCCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL250004582344	1	37	-1.0	-55.72	314.93	4.84	-50.88
COC(CC(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582345	0	39	-1.0	-56.98	317.83	5.00	-51.98
COC(CC(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582345	1	39	-1.0	-56.94	317.90	5.00	-51.94
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2CC2C1	REAL250004582346	1	37	-1.0	-40.57	299.22	5.77	-34.80
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC12CC2	REAL250004582347	0	31	-1.0	-54.48	273.84	4.84	-49.64
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CC2	REAL250004582347	1	31	-1.0	-54.45	273.90	4.83	-49.62
CC1=C(F)C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582348	0	33	-1.0	-55.55	287.26	5.62	-49.93
CC1=C(F)C=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582348	1	33	-1.0	-55.51	287.33	5.62	-49.89
CN1C=NC=C1C=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582349	0	34	-1.0	-56.25	300.67	5.22	-51.03
CN1C=NC=C1C=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582349	1	34	-1.0	-56.21	300.74	5.21	-51.00
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1(F)F	REAL250004582350	0	30	-1.0	-57.60	270.46	4.17	-53.43
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1(F)F	REAL250004582350	1	30	-1.0	-57.61	270.53	4.16	-53.45
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CC=N1	REAL250004582351	0	36	-1.0	-55.12	307.91	4.03	-51.09
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=CC=N1	REAL250004582351	1	36	-1.0	-55.15	307.85	4.05	-51.10
C=CC(=O)N(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582352	0	34	-1.0	-62.26	300.06	3.18	-59.08
C=CC(=O)N(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582352	1	34	-1.0	-62.19	300.13	3.17	-59.02
O=C(CC1=NN=CN1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582353	0	29	-1.0	-71.12	264.38	2.98	-68.14
O=C(CC1=NN=CN1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582353	1	29	-1.0	-71.05	264.44	2.97	-68.08
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)=C1CCC1	REAL250004582354	0	31	-1.0	-49.17	275.93	4.67	-44.50
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)=C1CCC1	REAL250004582354	1	31	-1.0	-49.16	275.99	4.66	-44.50
CNC1=CN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004582355	0	33	-1.0	-53.93	293.54	0.94	-52.99
CNC1=CN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004582355	1	33	-1.0	-53.96	293.47	0.94	-53.02
CC1CCCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582356	0	39	-1.0	-53.11	308.06	5.71	-47.40
CC1CCCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582356	1	39	-1.0	-53.07	308.13	5.70	-47.37
NC1=NN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004582357	0	31	-1.0	-68.09	281.63	4.00	-64.09
NC1=NN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004582357	1	31	-1.0	-68.07	281.57	4.02	-64.05
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CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1(F)Cl	REAL250004582359	0	30	-1.0	-51.43	279.91	4.50	-46.93
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1(F)Cl	REAL250004582359	1	30	-1.0	-51.38	279.97	4.49	-46.89
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1F	REAL250004582360	0	30	-1.0	-58.83	264.25	4.07	-54.76
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1F	REAL250004582360	1	30	-1.0	-58.78	264.31	4.07	-54.71
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CN1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC1=O	REAL250004582362	0	33	-1.0	-64.61	289.42	0.36	-64.25
CN1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC1=O	REAL250004582362	1	33	-1.0	-64.59	289.48	0.34	-64.25
CCC(CC)(CO)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582363	0	39	-1.0	-59.81	309.41	1.54	-58.27
CCC(CC)(CO)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582363	1	39	-1.0	-59.77	309.47	1.53	-58.24
CC1=C(C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582364	0	40	-1.0	-52.43	322.54	6.22	-46.21
CC1=C(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582364	1	40	-1.0	-52.43	322.60	6.21	-46.22
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2CCCC2=N1	REAL250004582365	0	34	-1.0	-56.34	295.79	4.50	-51.84
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL250004582366	0	35	-1.0	-56.12	302.11	4.34	-51.78
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CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CN=C1	REAL250004582404	1	36	-1.0	-53.33	308.51	5.52	-47.81
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CCC(C#N)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582408	0	30	-1.0	-49.47	270.64	3.51	-45.96
CCC(C#N)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582408	1	30	-1.0	-49.44	270.71	3.50	-45.94
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CCCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582410	0	38	-1.0	-53.98	305.34	5.08	-48.90
CCCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582410	1	38	-1.0	-53.94	305.41	5.07	-48.87
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CC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL250004582412	1	39	-1.0	-52.07	314.52	5.55	-46.52
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CSC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582414	0	33	-1.0	-57.35	286.54	4.16	-53.19
CSC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582414	1	33	-1.0	-57.33	286.61	4.16	-53.17
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CC(C)(O)C(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582416	0	34	-1.0	-52.98	285.40	-1.05	-54.03
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CCC(O)C(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582418	0	36	-1.0	-57.31	296.37	2.62	-54.69
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CC=CC(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582422	1	31	-1.0	-52.28	274.27	1.93	-50.35
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCNC1=O	REAL250004582423	0	34	-1.0	-51.31	290.43	0.67	-50.64
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCNC1=O	REAL250004582423	1	34	-1.0	-51.27	290.49	0.66	-50.61
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CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CC=N1	REAL250004582429	0	36	-1.0	-65.22	305.62	4.24	-60.98
CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=CC=N1	REAL250004582429	1	36	-1.0	-65.27	305.56	4.24	-61.03
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CCCCC(C)(F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582431	0	38	-1.0	-51.68	317.32	5.41	-46.27
CCCCC(C)(F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582431	1	38	-1.0	-51.66	317.39	5.40	-46.26
CC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(N)=N1	REAL250004582432	0	33	-1.0	-50.94	288.35	2.01	-48.93
CC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(N)=N1	REAL250004582432	1	33	-1.0	-50.95	288.41	2.00	-48.95
CC(CC1=CC=CO1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582434	0	36	-1.0	-52.86	309.42	4.99	-47.87
CC(CC1=CC=CO1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582434	1	36	-1.0	-52.79	309.48	4.98	-47.81
CC1(C)CCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582435	0	36	-1.0	-53.26	294.97	4.86	-48.40
CC1(C)CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582435	1	36	-1.0	-53.21	295.04	4.85	-48.36
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582436	0	37	-1.0	-44.04	300.38	4.75	-39.29
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582436	1	37	-1.0	-44.02	300.44	4.74	-39.28
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CC(F)(F)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582438	0	33	-1.0	-40.99	289.11	4.91	-36.08
CC(F)(F)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582438	1	33	-1.0	-40.98	289.12	4.90	-36.08
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CCCC=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582440	0	33	-1.0	-53.37	287.29	4.74	-48.63
CCCC=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582440	1	33	-1.0	-53.33	287.35	4.73	-48.60
CC1=CCC(C)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582441	0	40	-1.0	-54.60	320.76	6.00	-48.60
CC1=CCC(C)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582441	1	40	-1.0	-54.56	320.83	5.99	-48.57
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CC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004582443	0	29	-1.0	-52.02	267.53	0.35	-51.67
CC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582443	1	29	-1.0	-52.00	267.60	0.34	-51.66
CC1=COC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582444	0	30	-1.0	-57.52	268.50	3.57	-53.95
CC1=COC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582444	1	30	-1.0	-57.47	268.57	3.57	-53.90
COCC(OC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582445	0	34	-1.0	-55.82	294.36	2.03	-53.79
COCC(OC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582445	1	34	-1.0	-55.77	294.43	2.03	-53.74
CN1CCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582446	0	35	-1.0	-55.98	291.56	1.93	-54.05
CN1CCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582446	1	35	-1.0	-56.01	291.62	1.91	-54.10
CN1CCC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582447	0	35	-1.0	-56.44	291.84	2.13	-54.31
CN1CCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582447	1	35	-1.0	-56.37	291.90	2.12	-54.25
C[C@H](C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL250004582448	0	34	-1.0	-54.53	278.36	1.31	-53.22
C[C@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL250004582448	1	34	-1.0	-54.55	278.42	1.30	-53.25
CCC(C)(C)C(O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582449	0	39	-1.0	-53.11	306.28	3.34	-49.77
CCC(C)(C)C(O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582449	1	39	-1.0	-53.07	306.35	3.33	-49.74
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CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CO1	REAL250004582451	0	36	-1.0	-42.41	309.99	5.05	-37.36
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CO1	REAL250004582451	1	36	-1.0	-42.40	310.05	5.05	-37.35
CCCC(OCC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582452	0	39	-1.0	-55.40	325.33	5.10	-50.30
CCCC(OCC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582452	1	39	-1.0	-55.36	325.39	5.10	-50.26
COC1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582453	0	34	-1.0	-52.42	291.26	2.86	-49.56
COC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582453	1	34	-1.0	-52.42	291.32	2.85	-49.57
CCOC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004582454	0	37	-1.0	-57.76	312.61	5.07	-52.69
CCOC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004582454	1	37	-1.0	-57.75	312.68	5.06	-52.69
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O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1COC(=O)N1	REAL250004582457	0	29	-1.0	-64.53	263.33	-0.82	-65.35
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1COC(=O)N1	REAL250004582457	1	29	-1.0	-64.52	263.39	-0.83	-65.35
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O=C(CC1=CSC=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582458	1	29	-1.0	-59.86	274.73	2.73	-57.13
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC2(CC2)C1	REAL250004582459	0	40	-1.0	-53.51	323.97	6.43	-47.08
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2(CC2)C1	REAL250004582459	1	40	-1.0	-53.45	324.04	6.42	-47.03
CCCN1N=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582460	0	36	-1.0	-52.20	310.30	4.23	-47.97
CCCN1N=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582460	1	36	-1.0	-52.25	310.24	4.24	-48.01
CC1=CN=CN1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582461	0	33	-1.0	-61.99	292.80	5.16	-56.83
CC1=CN=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582461	1	33	-1.0	-61.92	292.86	5.15	-56.77
CCOC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004582462	0	37	-1.0	-39.66	308.91	3.57	-36.09
CCOC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004582462	1	37	-1.0	-39.61	308.97	3.57	-36.04
CCC(F)(F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582463	0	29	-1.0	-47.35	262.71	3.51	-43.84
CCC(F)(F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582463	1	29	-1.0	-47.31	262.78	3.51	-43.80
COC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL250004582464	0	37	-1.0	-57.68	303.09	4.67	-53.01
COC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582464	1	37	-1.0	-57.67	303.15	4.66	-53.01
CCN1C=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582465	0	33	-1.0	-54.87	294.02	5.01	-49.86
CCN1C=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582465	1	33	-1.0	-54.89	293.95	5.02	-49.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004582466	0	32	-1.0	-51.84	276.94	2.75	-49.09
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004582466	1	32	-1.0	-51.74	277.00	2.74	-49.00
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004582467	0	34	-1.0	-53.28	285.58	5.21	-48.07
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O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2(CC2)CC1	REAL250004582468	0	40	-1.0	-53.06	323.46	6.43	-46.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2(CC2)CC1	REAL250004582468	1	40	-1.0	-53.03	323.52	6.43	-46.60
CC1=NC=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582469	0	31	-1.0	-52.09	274.78	1.96	-50.13
CC1=NC=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582469	1	31	-1.0	-52.04	274.84	1.95	-50.09
C=C1CC(C)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582470	0	34	-1.0	-53.06	288.97	4.90	-48.16
C=C1CC(C)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582470	1	34	-1.0	-53.07	289.03	4.89	-48.18
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC2(CC2)C1	REAL250004582471	0	34	-1.0	-53.06	290.23	5.26	-47.80
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC2(CC2)C1	REAL250004582471	1	34	-1.0	-53.02	290.30	5.25	-47.77
CN1C=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL250004582472	0	35	-1.0	-56.46	309.07	2.86	-53.60
CN1C=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL250004582472	1	35	-1.0	-56.42	309.13	2.86	-53.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=NO1	REAL250004582473	0	26	-1.0	-47.00	262.11	2.75	-44.25
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O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1COC(=O)N1	REAL250004582474	0	29	-1.0	-63.24	263.58	-0.82	-64.06
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1COC(=O)N1	REAL250004582474	1	29	-1.0	-63.20	263.64	-0.82	-64.02
CN1C(=O)NCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582475	0	33	-1.0	-64.59	288.22	0.39	-64.20
CN1C(=O)NCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582475	1	33	-1.0	-64.57	288.28	0.37	-64.20
C[C@@H](C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL250004582476	0	34	-1.0	-54.43	278.78	1.30	-53.13
C[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL250004582476	1	34	-1.0	-54.36	278.84	1.30	-53.06
CCC(C)(C)C(=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582477	0	37	-1.0	-45.85	302.66	4.13	-41.72
CCC(C)(C)C(=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582477	1	37	-1.0	-45.85	302.44	4.13	-41.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H](O)C1	REAL250004582478	0	31	-1.0	-59.04	269.32	0.46	-58.58
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H](O)C1	REAL250004582478	1	31	-1.0	-59.03	269.38	0.45	-58.58
O=C(C=CCN1C=NC=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582479	0	33	-1.0	-63.34	301.21	5.63	-57.71
O=C(C=CCN1C=NC=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582479	1	33	-1.0	-63.35	301.15	5.64	-57.71
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CC1=C(CO)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582483	1	34	-1.0	-57.36	304.35	1.09	-56.27
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CN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N(C)C1=O	REAL250004582499	0	34	-1.0	-62.02	298.40	3.66	-58.36
CN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N(C)C1=O	REAL250004582499	1	34	-1.0	-62.01	298.47	3.65	-58.36
CC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1C	REAL250004582500	0	33	-1.0	-58.37	284.85	4.01	-54.36
CC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1C	REAL250004582500	1	33	-1.0	-58.29	284.91	4.00	-54.29
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CC[C@H](C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL250004582503	1	37	-1.0	-40.00	295.93	2.38	-37.62
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CN(C)C(=O)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582506	0	36	-1.0	-52.30	308.25	2.87	-49.43
CN(C)C(=O)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582506	1	36	-1.0	-52.25	308.32	2.87	-49.38
CC1=CC=CC(O)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582507	0	34	-1.0	-57.20	300.56	2.49	-54.71
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CCC(NC(C)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582510	0	36	-1.0	-52.00	302.53	1.73	-50.27
CCC(NC(C)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582510	1	36	-1.0	-51.95	302.60	1.72	-50.23
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CC(C)C1=NOC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582514	0	35	-1.0	-56.27	305.05	4.28	-51.99
CC(C)C1=NOC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582514	1	35	-1.0	-56.18	305.11	4.27	-51.91
CC1=CC(C)=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL250004582515	0	33	-1.0	-52.55	297.12	5.38	-47.17
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CCOC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582519	0	36	-1.0	-58.38	297.49	3.98	-54.40
CCOC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582519	1	36	-1.0	-58.36	297.56	3.97	-54.39
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CC(=C(F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL250004582522	0	34	-1.0	-47.48	292.82	5.40	-42.08
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CC1C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1C1CC1	REAL250004582525	0	37	-1.0	-52.76	308.26	6.21	-46.55
CC1C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1C1CC1	REAL250004582525	1	37	-1.0	-52.67	308.33	6.21	-46.46
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CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2CCC1C2	REAL250004582527	0	40	-1.0	-55.21	311.14	5.76	-49.45
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2CCC1C2	REAL250004582527	1	40	-1.0	-55.23	311.20	5.75	-49.48
CCC(C#N)(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582528	0	36	-1.0	-52.59	301.56	4.34	-48.25
CCC(C#N)(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582528	1	36	-1.0	-52.57	301.62	4.33	-48.24
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COC1=CC=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582530	0	33	-1.0	-58.14	291.03	3.64	-54.50
COC1=CC=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582530	1	33	-1.0	-58.22	290.97	3.64	-54.58
CC1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C)O1	REAL250004582531	0	37	-1.0	-53.71	308.39	3.46	-50.25
CC1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C)O1	REAL250004582531	1	37	-1.0	-53.62	308.46	3.45	-50.17
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CCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL250004582533	1	36	-1.0	-59.04	310.98	4.11	-54.93
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CC1=CN=C(F)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582535	0	32	-1.0	-62.17	287.34	3.74	-58.43
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CC1=CC(F)=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582536	1	32	-1.0	-50.28	283.82	3.75	-46.53
N#CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004582537	0	28	-1.0	-57.90	270.79	3.41	-54.49
N#CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004582537	1	28	-1.0	-57.84	270.86	3.40	-54.44
NC1=CC=CN=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582538	0	31	-1.0	-51.46	274.12	1.39	-50.07
NC1=CC=CN=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582538	1	31	-1.0	-51.50	274.05	1.40	-50.10
N#CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCOC1	REAL250004582539	0	35	-1.0	-52.77	300.32	2.78	-49.99
N#CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCOC1	REAL250004582539	1	35	-1.0	-52.74	300.38	2.77	-49.97
CC1=CON=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582540	0	29	-1.0	-51.99	263.85	2.83	-49.16
CC1=CON=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582540	1	29	-1.0	-52.00	263.78	2.84	-49.16
CC1CC1C1CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582541	0	37	-1.0	-54.49	313.74	6.22	-48.27
CC1CC1C1CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582541	1	37	-1.0	-54.41	313.81	6.21	-48.20
CCN1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004582542	0	36	-1.0	-53.78	308.65	4.01	-49.77
CCN1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004582542	1	36	-1.0	-53.74	308.71	4.01	-49.73
CC(C)C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NO1	REAL250004582543	0	35	-1.0	-50.85	304.65	4.56	-46.29
CC(C)C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NO1	REAL250004582543	1	35	-1.0	-50.84	304.71	4.56	-46.28
CC1(CCCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL250004582544	0	35	-1.0	-61.05	306.30	0.01	-61.04
CC1(CCCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL250004582544	1	35	-1.0	-60.97	306.37	0.00	-60.97
CN(C)C(=O)C=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582545	0	34	-1.0	-52.57	300.37	2.65	-49.92
CN(C)C(=O)C=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582545	1	34	-1.0	-52.67	300.16	2.65	-50.02
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CNC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL250004582548	0	34	-1.0	-54.22	298.76	1.95	-52.27
CNC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL250004582548	1	34	-1.0	-54.27	298.70	1.96	-52.31
CCC1CCCC1(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582549	0	42	-1.0	-54.72	326.15	6.16	-48.56
CCC1CCCC1(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582549	1	42	-1.0	-54.60	326.21	6.15	-48.45
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NC1=CC(F)=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582551	0	32	-1.0	-50.23	283.14	3.17	-47.06
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NC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004582554	0	31	-1.0	-42.45	276.68	1.89	-40.56
NC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004582554	1	31	-1.0	-42.46	276.61	1.90	-40.56
CCCC(CC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582555	0	38	-1.0	-53.71	306.69	5.13	-48.58
CCCC(CC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582555	1	38	-1.0	-53.67	306.76	5.12	-48.55
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CCN1C=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004582558	0	37	-1.0	-55.80	313.48	5.88	-49.92
CCN1C=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004582558	1	37	-1.0	-55.78	313.55	5.88	-49.90
CC1=COC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582559	0	30	-1.0	-52.83	272.65	3.60	-49.23
CC1=COC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582559	1	30	-1.0	-52.73	272.72	3.59	-49.14
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC(F)(F)C1	REAL250004582560	0	33	-1.0	-52.02	286.37	4.52	-47.50
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC(F)(F)C1	REAL250004582560	1	33	-1.0	-51.99	286.43	4.51	-47.48
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C[C@@]1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC(=O)N1	REAL250004582561	1	34	-1.0	-51.36	291.32	1.26	-50.10
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CC1=CN(C)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582571	0	34	-1.0	-60.46	294.77	5.20	-55.26
CC1=CN(C)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582571	1	34	-1.0	-60.45	294.83	5.19	-55.26
COC1=NC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582572	0	32	-1.0	-50.20	291.01	-0.29	-50.49
COC1=NC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582572	1	32	-1.0	-50.23	290.95	-0.28	-50.51
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CC1COC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582574	0	34	-1.0	-58.04	287.71	3.66	-54.38
CC1COC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582574	1	34	-1.0	-58.04	287.78	3.65	-54.39
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(O)=C1F	REAL250004582576	1	31	-1.0	-63.87	281.98	2.11	-61.76
CCN1CCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582577	0	35	-1.0	-57.33	294.45	1.45	-55.88
CCN1CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582577	1	35	-1.0	-57.31	294.51	1.44	-55.87
CCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NO1	REAL250004582578	0	32	-1.0	-50.33	288.66	3.77	-46.56
CCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NO1	REAL250004582578	1	32	-1.0	-50.27	288.72	3.76	-46.51
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CC1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1O	REAL250004582580	0	33	-1.0	-56.02	292.91	2.32	-53.70
CC1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1O	REAL250004582580	1	33	-1.0	-55.99	292.98	2.31	-53.68
O=C(CCCCCO)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582582	0	36	-1.0	-57.81	306.78	1.60	-56.21
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C=C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582583	0	37	-1.0	-53.72	304.19	5.59	-48.13
C=C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582583	1	37	-1.0	-53.76	304.26	5.58	-48.18
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC=CCCC1	REAL250004582584	0	40	-1.0	-51.93	310.59	5.98	-45.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC=CCCC1	REAL250004582584	1	40	-1.0	-51.91	310.66	5.97	-45.94
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CC1=CN=C(F)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582586	0	32	-1.0	-49.93	283.98	3.74	-46.19
CC1=CN=C(F)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582586	1	32	-1.0	-49.94	283.92	3.75	-46.19
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCO1	REAL250004582587	0	37	-1.0	-59.24	303.13	4.28	-54.96
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCO1	REAL250004582587	1	37	-1.0	-59.19	303.20	4.28	-54.91
NC1=NN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL250004582588	0	30	-1.0	-63.23	277.85	1.28	-61.95
NC1=NN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL250004582588	1	30	-1.0	-63.30	277.78	1.29	-62.01
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2CC2)CCC1	REAL250004582590	1	37	-1.0	-41.50	299.53	5.81	-35.69
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)=C1CC1	REAL250004582725	0	31	-1.0	-54.44	273.85	4.84	-49.60
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)=C1CC1	REAL250004582725	1	31	-1.0	-54.46	273.91	4.83	-49.63
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CC(=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)C	REAL250004582729	0	36	-1.0	-52.14	298.92	5.16	-46.98
CC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)C	REAL250004582729	1	36	-1.0	-52.09	298.99	5.16	-46.93
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=CS1	REAL250004582730	0	29	-1.0	-51.92	270.88	2.68	-49.24
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=CS1	REAL250004582730	1	29	-1.0	-51.93	270.81	2.69	-49.24
CC1(C)CC(C)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582731	0	39	-1.0	-54.01	311.00	5.34	-48.67
CC1(C)CC(C)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582731	1	39	-1.0	-53.99	311.06	5.34	-48.65
CSC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)C	REAL250004582732	0	36	-1.0	-53.67	308.28	5.10	-48.57
CSC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)C	REAL250004582732	1	36	-1.0	-53.60	308.35	5.09	-48.51
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CC1(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1(F)F	REAL250004582793	0	33	-1.0	-51.12	287.93	4.68	-46.44
CC1(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1(F)F	REAL250004582793	1	33	-1.0	-51.12	287.99	4.67	-46.45
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)S(N)(=O)=O	REAL250004582795	0	31	-1.0	-70.18	284.65	-2.34	-72.52
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CCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=CC=N1	REAL250004582800	1	36	-1.0	-54.46	307.13	4.29	-50.17
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CC1(C)OC[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL250004582804	0	35	-1.0	-57.20	300.27	2.86	-54.34
CC1(C)OC[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL250004582804	1	35	-1.0	-57.20	300.33	2.85	-54.35
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CC(C)C1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004582806	0	35	-1.0	-50.42	309.83	1.59	-48.83
CC(C)C1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004582806	1	35	-1.0	-50.37	309.90	1.58	-48.79
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CC1CCC(C)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582817	0	39	-1.0	-54.19	312.42	5.63	-48.56
CC1CCC(C)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582817	1	39	-1.0	-54.20	312.48	5.62	-48.58
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=CO1	REAL250004582818	0	36	-1.0	-54.26	316.53	5.08	-49.18
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=CO1	REAL250004582818	1	36	-1.0	-54.26	316.59	5.07	-49.19
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCCC1CCC2	REAL250004582819	0	40	-1.0	-55.47	314.07	6.09	-49.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCCC1CCC2	REAL250004582819	1	40	-1.0	-55.40	314.13	6.08	-49.32
CCSC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582820	0	33	-1.0	-56.99	294.12	4.48	-52.51
CCSC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582820	1	33	-1.0	-56.91	294.18	4.47	-52.44
O=C(CC1COCCO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582821	0	35	-1.0	-58.81	296.15	2.46	-56.35
O=C(CC1COCCO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582821	1	35	-1.0	-58.80	296.22	2.45	-56.35
CCC1(C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582822	0	39	-1.0	-41.61	309.41	5.45	-36.16
CCC1(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582822	1	39	-1.0	-41.59	309.46	5.44	-36.15
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)F	REAL250004582823	0	32	-1.0	-43.13	280.79	4.17	-38.96
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)F	REAL250004582823	1	32	-1.0	-43.15	280.85	4.16	-38.99
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)C=N1	REAL250004582824	0	35	-1.0	-52.66	299.11	4.42	-48.24
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)C=N1	REAL250004582824	1	35	-1.0	-52.59	299.18	4.41	-48.18
CC1=NC=NC(C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582825	0	34	-1.0	-51.01	299.76	3.79	-47.22
CC1=NC=NC(C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582825	1	34	-1.0	-50.97	299.83	3.79	-47.18
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NC(C)=N1	REAL250004582826	0	34	-1.0	-50.13	302.30	3.54	-46.59
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NC(C)=N1	REAL250004582826	1	34	-1.0	-50.10	302.37	3.54	-46.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=NN1C1CC1	REAL250004582827	0	33	-1.0	-53.97	291.62	2.93	-51.04
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=NN1C1CC1	REAL250004582827	1	33	-1.0	-54.01	291.56	2.94	-51.07
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NS1	REAL250004582828	0	29	-1.0	-50.89	269.50	3.35	-47.54
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NS1	REAL250004582828	1	29	-1.0	-50.88	269.57	3.35	-47.53
O=C(C=CC1=CN=CC=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582829	0	32	-1.0	-54.55	293.00	2.74	-51.81
O=C(C=CC1=CN=CC=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582829	1	32	-1.0	-54.50	293.06	2.73	-51.77
COC(=O)C(OC)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582830	0	33	-1.0	-59.16	296.71	3.20	-55.96
COC(=O)C(OC)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582830	1	33	-1.0	-59.07	296.78	3.19	-55.88
N#CCN1C=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582831	0	31	-1.0	-62.67	292.66	3.27	-59.40
N#CCN1C=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582831	1	31	-1.0	-62.69	292.60	3.28	-59.41
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582832	0	38	-1.0	-57.03	312.12	3.90	-53.13
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582832	1	38	-1.0	-57.02	312.18	3.90	-53.12
CCN1C=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582833	0	32	-1.0	-60.49	288.49	4.19	-56.30
CCN1C=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582833	1	32	-1.0	-60.55	288.42	4.19	-56.36
N#CCN1N=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582834	0	31	-1.0	-58.29	287.97	3.22	-55.07
N#CCN1N=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582834	1	31	-1.0	-58.34	287.91	3.23	-55.11
CC(C)CC(F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582835	0	35	-1.0	-54.23	297.59	4.69	-49.54
CC(C)CC(F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582835	1	35	-1.0	-54.20	297.66	4.68	-49.52
C=C(Cl)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582836	0	30	-1.0	-51.92	282.20	4.46	-47.46
C=C(Cl)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582836	1	30	-1.0	-51.89	282.26	4.45	-47.44
CC(CC1CCC1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582837	0	39	-1.0	-53.84	316.33	5.95	-47.89
CC(CC1CCC1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582837	1	39	-1.0	-53.75	316.40	5.94	-47.81
O=C(CCCC1CCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582838	0	39	-1.0	-54.02	322.37	6.22	-47.80
O=C(CCCC1CCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582838	1	39	-1.0	-53.97	322.43	6.21	-47.76
CC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1N	REAL250004582839	0	35	-1.0	-52.16	295.32	3.89	-48.27
CC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1N	REAL250004582839	1	35	-1.0	-52.11	295.38	3.88	-48.23
NC1=CC=CC(F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582840	0	32	-1.0	-53.13	289.91	2.68	-50.45
NC1=CC=CC(F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582840	1	32	-1.0	-53.05	289.97	2.67	-50.38
NC1=C(F)C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582841	0	32	-1.0	-52.97	282.45	3.21	-49.76
NC1=C(F)C=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582841	1	32	-1.0	-52.93	282.52	3.20	-49.73
O=C(CC1=CC=C(O)C=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582842	0	33	-1.0	-62.25	295.62	1.11	-61.14
O=C(CC1=CC=C(O)C=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582842	1	33	-1.0	-59.93	295.42	1.11	-58.82
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)=CC1=CNC=N1	REAL250004582843	0	31	-1.0	-55.22	286.82	4.14	-51.08
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)=CC1=CNC=N1	REAL250004582843	1	31	-1.0	-55.16	286.88	4.14	-51.02
CC1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1C	REAL250004582844	0	32	-1.0	-59.98	286.52	3.13	-56.85
CC1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1C	REAL250004582844	1	32	-1.0	-59.96	286.58	3.12	-56.84
CCC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004582845	0	34	-1.0	-55.28	297.05	3.99	-51.29
CCC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004582845	1	34	-1.0	-55.23	297.12	3.99	-51.24
CN1NC(=O)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582846	0	31	-1.0	-51.34	277.19	0.73	-50.61
CN1NC(=O)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582846	1	31	-1.0	-51.34	277.26	0.73	-50.61
CCC1(C)C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582847	0	37	-1.0	-54.18	311.01	5.63	-48.55
CCC1(C)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582847	1	37	-1.0	-54.11	311.07	5.63	-48.48
O=C(C[C@@H]1CCC[C@H]1O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582848	0	37	-1.0	-58.52	305.03	1.87	-56.65
O=C(C[C@@H]1CCC[C@H]1O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582848	1	37	-1.0	-58.49	305.09	1.86	-56.63
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582849	0	36	-1.0	-46.57	311.64	3.57	-43.00
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582849	1	36	-1.0	-46.58	311.70	3.57	-43.01
O=C(CC1CCC(=O)C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582850	0	35	-1.0	-47.11	297.85	4.32	-42.79
O=C(CC1CCC(=O)C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582850	1	35	-1.0	-47.11	297.92	4.31	-42.80
CC1(C)CC(O)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582851	0	37	-1.0	-53.36	303.81	2.19	-51.17
CC1(C)CC(O)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582851	1	37	-1.0	-53.30	303.87	2.18	-51.12
CCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C=CN=C1	REAL250004582852	0	36	-1.0	-59.80	305.50	5.65	-54.15
CCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C=CN=C1	REAL250004582852	1	36	-1.0	-59.76	305.56	5.65	-54.11
CCC(F)(F)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582853	0	32	-1.0	-61.39	282.95	4.25	-57.14
CCC(F)(F)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582853	1	32	-1.0	-61.34	283.01	4.25	-57.09
C=CCC(C)(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582854	0	39	-1.0	-52.78	313.22	5.58	-47.20
C=CCC(C)(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582854	1	39	-1.0	-52.76	313.28	5.57	-47.19
CCC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)OC	REAL250004582855	0	36	-1.0	-55.06	299.53	3.77	-51.29
CCC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)OC	REAL250004582855	1	36	-1.0	-55.03	299.59	3.77	-51.26
CCC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL250004582856	0	42	-1.0	-53.77	330.64	6.46	-47.31
CCC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582856	1	42	-1.0	-53.70	330.71	6.45	-47.25
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC2CCC(C2)C1	REAL250004582857	0	40	-1.0	-43.50	291.63	5.98	-37.52
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC2CCC(C2)C1	REAL250004582857	1	40	-1.0	-43.54	291.67	5.97	-37.57
CC1(C)C(=O)CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582858	0	35	-1.0	-53.01	296.58	4.03	-48.98
CC1(C)C(=O)CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582858	1	35	-1.0	-52.95	296.64	4.02	-48.93
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582859	0	36	-1.0	-53.69	303.52	5.35	-48.34
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582859	1	36	-1.0	-53.63	303.59	5.34	-48.29
CCCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC=N1	REAL250004582860	0	35	-1.0	-52.33	306.22	1.74	-50.59
CCCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC=N1	REAL250004582860	1	35	-1.0	-52.25	306.28	1.73	-50.52
CC1=CC=C(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004582861	0	35	-1.0	-52.24	301.19	4.47	-47.77
CC1=CC=C(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004582861	1	35	-1.0	-52.18	301.26	4.46	-47.72
CC12CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(C1)CO2	REAL250004582862	0	35	-1.0	-52.88	297.36	2.98	-49.90
CC12CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(C1)CO2	REAL250004582862	1	35	-1.0	-52.85	297.42	2.98	-49.87
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CCCC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004582866	0	37	-1.0	-55.03	318.55	4.77	-50.26
CCCC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004582866	1	37	-1.0	-54.97	318.61	4.77	-50.20
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C#CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL250004582870	0	38	-1.0	-42.66	312.74	6.44	-36.22
C#CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL250004582870	1	38	-1.0	-42.62	312.80	6.44	-36.18
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCC(C1)OC2	REAL250004582927	1	35	-1.0	-53.56	291.28	2.97	-50.59
CCC1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582928	0	32	-1.0	-48.61	288.66	3.66	-44.95
CCC1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582928	1	32	-1.0	-48.58	288.72	3.66	-44.92
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582929	0	42	-1.0	-54.14	328.11	6.15	-47.99
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582929	1	42	-1.0	-54.12	328.18	6.14	-47.98
C[C@@H]1C[C@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@H]12	REAL250004582930	0	34	-1.0	-53.80	289.50	5.18	-48.62
C[C@@H]1C[C@]2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[C@H]12	REAL250004582930	1	34	-1.0	-53.73	289.56	5.18	-48.55
O=C(C=CC1=CC=NC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582931	0	33	-1.0	-55.31	295.81	4.35	-50.96
O=C(C=CC1=CC=NC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582931	1	33	-1.0	-55.29	295.88	4.34	-50.95
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(C2CC2)=NO1	REAL250004582932	0	35	-1.0	-64.27	307.82	4.76	-59.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(C2CC2)=NO1	REAL250004582932	1	35	-1.0	-64.21	307.89	4.75	-59.46
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1COC(=O)O1	REAL250004582933	0	28	-1.0	-66.34	259.75	2.92	-63.42
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1COC(=O)O1	REAL250004582933	1	28	-1.0	-66.26	259.81	2.91	-63.35
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCOC1	REAL250004582934	0	37	-1.0	-42.34	303.78	3.24	-39.10
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCOC1	REAL250004582934	1	37	-1.0	-42.35	303.85	3.23	-39.12
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004582935	0	34	-1.0	-55.22	280.57	5.02	-50.20
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004582935	1	34	-1.0	-55.10	280.64	5.01	-50.09
CC1CCOC1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582936	0	37	-1.0	-45.22	301.60	3.92	-41.30
CC1CCOC1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582936	1	37	-1.0	-45.20	301.66	3.91	-41.29
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)C2	REAL250004582937	0	38	-1.0	-52.75	320.28	6.26	-46.49
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)C2	REAL250004582937	1	38	-1.0	-52.71	320.34	6.25	-46.46
O=C(CC12CCC(CC1)C2)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582938	0	40	-1.0	-55.30	314.43	6.16	-49.14
O=C(CC12CCC(CC1)C2)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582938	1	40	-1.0	-55.25	314.49	6.15	-49.10
CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004582939	0	31	-1.0	-55.71	275.57	3.26	-52.45
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004582939	1	31	-1.0	-55.68	275.63	3.25	-52.43
CCCOCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582940	0	39	-1.0	-57.25	329.40	4.20	-53.05
CCCOCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582940	1	39	-1.0	-57.22	329.46	4.20	-53.02
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582941	0	31	-1.0	-45.13	288.58	2.96	-42.17
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582941	1	31	-1.0	-45.16	288.50	2.96	-42.20
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@@H]12	REAL250004582942	0	35	-1.0	-58.87	303.52	3.55	-55.32
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[C@@H]12	REAL250004582942	1	35	-1.0	-58.87	303.59	3.53	-55.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(C2CC2)C=CO1	REAL250004582943	0	34	-1.0	-54.23	298.16	5.06	-49.17
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(C2CC2)C=CO1	REAL250004582943	1	34	-1.0	-54.25	298.51	5.05	-49.20
CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCO1	REAL250004582944	0	37	-1.0	-43.09	298.36	4.25	-38.84
CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCO1	REAL250004582944	1	37	-1.0	-43.11	298.43	4.25	-38.86
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1C2C3CC1C(=O)C32	REAL250004582945	0	34	-1.0	-51.10	291.12	4.61	-46.49
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C2C3CC1C(=O)C32	REAL250004582945	1	34	-1.0	-51.06	291.18	4.60	-46.46
COCC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N1	REAL250004582946	0	35	-1.0	-56.35	308.11	2.39	-53.96
COCC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N1	REAL250004582946	1	35	-1.0	-56.28	308.17	2.38	-53.90
O=C(CC1CC2(CC2)C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582947	0	37	-1.0	-55.03	311.42	6.04	-48.99
O=C(CC1CC2(CC2)C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582947	1	37	-1.0	-54.96	311.48	6.03	-48.93
CC1=NN(C)C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582948	0	36	-1.0	-61.01	313.36	3.66	-57.35
CC1=NN(C)C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582948	1	36	-1.0	-60.99	313.42	3.65	-57.34
CCC(C)CC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582949	0	41	-1.0	-53.60	325.95	5.81	-47.79
CCC(C)CC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582949	1	41	-1.0	-53.55	326.02	5.80	-47.75
CC1(C)CC2(CC2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582950	0	40	-1.0	-54.18	329.56	6.40	-47.78
CC1(C)CC2(CC2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582950	1	40	-1.0	-54.12	329.62	6.39	-47.73
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC12CCC2	REAL250004582951	0	40	-1.0	-41.80	317.14	6.36	-35.44
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC12CCC2	REAL250004582951	1	40	-1.0	-41.76	317.21	6.35	-35.41
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@H]1CC1(F)F	REAL250004582952	0	27	-1.0	-56.28	253.16	3.56	-52.72
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@H]1CC1(F)F	REAL250004582952	1	27	-1.0	-56.26	253.23	3.55	-52.71
CC12CC(CC(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(C1)CO2	REAL250004582953	0	38	-1.0	-58.77	313.84	3.78	-54.99
CC12CC(CC(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(C1)CO2	REAL250004582953	1	38	-1.0	-58.73	313.91	3.76	-54.97
C[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@@H]12	REAL250004582954	0	34	-1.0	-54.47	290.80	5.22	-49.25
C[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[C@@H]12	REAL250004582954	1	34	-1.0	-54.45	290.86	5.22	-49.23
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CCC(=O)O1	REAL250004582955	0	30	-1.0	-68.07	269.51	3.81	-64.26
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCC(=O)O1	REAL250004582955	1	30	-1.0	-67.98	269.58	3.81	-64.17
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)C1CCC1	REAL250004582956	0	33	-1.0	-41.05	281.66	4.64	-36.41
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)C1CCC1	REAL250004582956	1	33	-1.0	-41.06	281.72	4.64	-36.42
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)C1CCOC1	REAL250004582957	0	34	-1.0	-54.62	288.39	2.66	-51.96
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)C1CCOC1	REAL250004582957	1	34	-1.0	-54.59	288.45	2.65	-51.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC2(CCC2)CO1	REAL250004582958	0	38	-1.0	-58.63	314.49	4.84	-53.79
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC2(CCC2)CO1	REAL250004582958	1	38	-1.0	-58.54	314.56	4.84	-53.70
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CC(C1)OC2	REAL250004582959	0	32	-1.0	-53.11	275.42	2.37	-50.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CC(C1)OC2	REAL250004582959	1	32	-1.0	-53.04	275.48	2.36	-50.68
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582960	0	32	-1.0	-49.87	288.00	0.52	-49.35
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582960	1	32	-1.0	-49.84	288.06	0.51	-49.33
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582961	0	35	-1.0	-55.95	303.55	1.12	-54.83
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582961	1	35	-1.0	-55.89	303.61	1.11	-54.78
COC1=CN=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582962	0	32	-1.0	-51.98	288.64	1.32	-50.66
COC1=CN=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582962	1	32	-1.0	-52.03	288.57	1.33	-50.70
C[C@H]1C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@H]1C	REAL250004582963	0	33	-1.0	-53.38	279.52	4.58	-48.80
C[C@H]1C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[C@H]1C	REAL250004582963	1	33	-1.0	-53.34	279.58	4.57	-48.77
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582964	0	33	-1.0	-52.01	295.13	4.90	-47.11
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582964	1	33	-1.0	-52.04	295.20	4.90	-47.14
COC1(C#N)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582965	0	35	-1.0	-56.06	308.80	2.95	-53.11
COC1(C#N)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582965	1	35	-1.0	-55.99	308.86	2.93	-53.06
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582966	0	34	-1.0	-55.67	281.75	2.57	-53.10
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582966	1	34	-1.0	-55.62	281.81	2.56	-53.06
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC(=O)C1	REAL250004582967	0	38	-1.0	-51.25	306.46	4.72	-46.53
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC(=O)C1	REAL250004582967	1	38	-1.0	-51.21	306.52	4.72	-46.49
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2(CCC2)O1	REAL250004582968	0	38	-1.0	-59.98	315.55	5.07	-54.91
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2(CCC2)O1	REAL250004582968	1	38	-1.0	-59.91	315.61	5.06	-54.85
CC1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582969	0	42	-1.0	-52.25	323.55	6.20	-46.05
CC1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582969	1	42	-1.0	-52.18	323.62	6.19	-45.99
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CC1(F)F	REAL250004582970	0	27	-1.0	-52.03	254.68	3.52	-48.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CC1(F)F	REAL250004582970	1	27	-1.0	-52.00	254.74	3.51	-48.49
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004582971	0	30	-1.0	-54.86	268.67	4.35	-50.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004582971	1	30	-1.0	-54.82	268.73	4.34	-50.48
N#CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC(=O)C1	REAL250004582972	0	30	-1.0	-52.27	279.60	3.11	-49.16
N#CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC(=O)C1	REAL250004582972	1	30	-1.0	-52.29	279.66	3.10	-49.19
CC12CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(C1)CCO2	REAL250004582973	0	38	-1.0	-53.49	308.33	3.73	-49.76
CC12CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(C1)CCO2	REAL250004582973	1	38	-1.0	-53.46	308.40	3.72	-49.74
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@@H]12	REAL250004582974	0	33	-1.0	-57.41	300.24	1.19	-56.22
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[C@@H]12	REAL250004582974	1	33	-1.0	-57.33	300.31	1.17	-56.16
CC(C)(C#N)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582975	0	36	-1.0	-61.49	306.88	4.67	-56.82
CC(C)(C#N)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582975	1	36	-1.0	-61.47	306.94	4.66	-56.81
[N-]=[N+]=NCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582976	0	28	-1.0	-51.58	261.00	-0.78	-52.36
[N-]=[N+]=NCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582976	1	28	-1.0	-51.58	261.07	-0.79	-52.37
[N-]=[N+]=NCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582977	0	31	-1.0	-56.87	282.50	0.02	-56.85
[N-]=[N+]=NCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582977	1	31	-1.0	-56.82	282.57	0.01	-56.81
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(C2CCC2)C1	REAL250004582978	0	40	-1.0	-54.29	326.15	6.53	-47.76
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(C2CCC2)C1	REAL250004582978	1	40	-1.0	-54.26	326.23	6.52	-47.74
CNC(=O)NC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582979	0	35	-1.0	-53.90	304.01	-0.22	-54.12
CNC(=O)NC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582979	1	35	-1.0	-53.88	304.08	-0.23	-54.11
CNC(=O)N[C@@H](C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582980	0	35	-1.0	-53.92	304.02	-0.22	-54.14
CNC(=O)N[C@@H](C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582980	1	35	-1.0	-53.90	304.08	-0.23	-54.13
CNC(=O)N[C@H](C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582981	0	35	-1.0	-53.82	304.18	-0.21	-54.03
CNC(=O)N[C@H](C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582981	1	35	-1.0	-53.74	304.24	-0.22	-53.96
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CCCC1	REAL250004582982	0	37	-1.0	-52.95	299.70	5.47	-47.48
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CCCC1	REAL250004582982	1	37	-1.0	-52.94	299.76	5.46	-47.48
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CC(C)(F)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582984	0	35	-1.0	-53.62	296.37	4.68	-48.94
CC(C)(F)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582984	1	35	-1.0	-53.52	296.44	4.67	-48.85
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CCC1=C(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NO1	REAL250004582985	1	35	-1.0	-50.36	305.62	4.39	-45.97
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COCC(C)(O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582987	1	37	-1.0	-54.94	307.72	1.40	-53.54
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004582988	0	33	-1.0	-53.16	295.87	5.38	-47.78
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004582988	1	33	-1.0	-53.14	295.94	5.37	-47.77
CCC1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582990	0	34	-1.0	-64.72	297.23	4.01	-60.71
CCC1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582990	1	34	-1.0	-64.68	297.29	4.01	-60.67
CCC1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004582991	0	35	-1.0	-53.43	306.72	4.60	-48.83
CCC1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004582991	1	35	-1.0	-53.39	306.79	4.59	-48.80
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)SN=C1	REAL250004582992	0	29	-1.0	-50.64	271.36	3.21	-47.43
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)SN=C1	REAL250004582992	1	29	-1.0	-50.67	271.30	3.22	-47.45
CC(C)(CCC#N)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582993	0	36	-1.0	-61.61	304.70	4.81	-56.80
CC(C)(CCC#N)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582993	1	36	-1.0	-61.51	304.76	4.80	-56.71
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CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583007	0	37	-1.0	-46.40	291.02	1.91	-44.49
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583007	1	37	-1.0	-46.36	291.08	1.92	-44.44
CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004583008	0	37	-1.0	-34.73	297.58	2.04	-32.69
CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004583008	1	37	-1.0	-34.72	297.65	2.05	-32.67
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CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1N(C)C	REAL250004583010	0	40	-1.0	-48.09	328.07	4.00	-44.09
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1N(C)C	REAL250004583010	1	40	-1.0	-48.12	328.12	4.02	-44.10
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C=C(C)CN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583013	0	38	-1.0	-54.11	308.87	7.13	-46.98
C=C(C)CN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583013	1	38	-1.0	-54.45	308.98	7.19	-47.26
C=C(C)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583014	0	35	-1.0	-35.54	296.89	5.54	-30.00
C=C(C)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583014	1	35	-1.0	-35.57	296.96	5.54	-30.03
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CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004583016	0	35	-1.0	-48.42	288.77	4.80	-43.62
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004583016	1	35	-1.0	-48.43	288.82	4.81	-43.62
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL250004583017	0	35	-1.0	-36.18	299.17	4.57	-31.61
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL250004583017	1	35	-1.0	-36.24	299.11	4.56	-31.68
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004583018	0	34	-1.0	-58.25	296.95	4.54	-53.71
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004583018	1	34	-1.0	-58.29	297.01	4.55	-53.74
CN(C)C(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583019	0	35	-1.0	-51.07	298.77	2.92	-48.15
CN(C)C(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583019	1	35	-1.0	-50.89	298.83	2.94	-47.95
CN(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583020	0	32	-1.0	-40.40	284.64	-0.20	-40.60
CN(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583020	1	32	-1.0	-40.35	284.71	-0.19	-40.54
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004583021	0	32	-1.0	-45.38	288.23	3.39	-41.99
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004583021	1	32	-1.0	-45.37	288.28	3.41	-41.96
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CCCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583023	0	38	-1.0	-47.26	313.18	5.80	-41.46
CCCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583023	1	38	-1.0	-47.24	313.23	5.82	-41.42
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583024	0	35	-1.0	-47.29	306.19	0.19	-47.10
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583024	1	35	-1.0	-47.29	306.13	0.17	-47.12
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583025	0	36	-1.0	-48.01	289.27	2.63	-45.38
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583025	1	36	-1.0	-48.03	289.33	2.65	-45.38
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004583026	0	36	-1.0	-35.89	296.95	2.88	-33.01
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004583026	1	36	-1.0	-35.90	297.02	2.89	-33.01
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004583027	0	35	-1.0	-45.97	305.81	4.18	-41.79
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004583027	1	35	-1.0	-45.96	305.87	4.19	-41.77
CNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583028	0	39	-1.0	-55.95	314.42	1.79	-54.16
CNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583028	1	39	-1.0	-55.96	314.48	1.80	-54.16
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL250004583029	0	36	-1.0	-40.50	291.67	4.50	-36.00
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL250004583029	1	36	-1.0	-40.33	291.77	4.50	-35.83
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004583030	0	33	-1.0	-34.84	276.69	2.19	-32.65
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004583030	1	33	-1.0	-34.77	276.76	2.20	-32.57
CC(C)CNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583031	0	38	-1.0	-46.57	318.52	0.47	-46.10
CC(C)CNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583031	1	38	-1.0	-46.54	318.57	0.48	-46.06
CN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583032	0	34	-1.0	-49.70	291.43	3.83	-45.87
CN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583032	1	34	-1.0	-49.72	291.48	3.85	-45.87
CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583033	0	34	-1.0	-37.98	299.30	4.24	-33.74
CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583033	1	34	-1.0	-37.98	299.37	4.25	-33.73
COCCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583034	0	41	-1.0	-45.18	322.96	3.92	-41.26
COCCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583034	1	41	-1.0	-45.15	323.02	3.94	-41.21
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=C1	REAL250004583035	0	39	-1.0	-48.96	320.71	6.93	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=C1	REAL250004583035	1	39	-1.0	-49.02	320.77	6.95	-42.07
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)S1	REAL250004583036	0	29	-1.0	-45.01	286.35	3.19	-41.82
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)S1	REAL250004583036	1	29	-1.0	-45.05	286.41	3.21	-41.84
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004583037	0	36	-1.0	-48.67	314.81	2.85	-45.82
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004583037	1	36	-1.0	-48.68	314.87	2.87	-45.81
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O=C(CCCC1=NN=N[N-]1)N1CCCCCCC1	REAL250004583038	1	38	-1.0	-47.24	280.35	5.30	-41.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCCCC1	REAL250004583039	0	38	-1.0	-36.49	285.34	5.85	-30.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCCCC1	REAL250004583039	1	38	-1.0	-36.50	285.42	5.85	-30.65
O=C(CCCC1=N[N-]N=N1)NCCC1=CN2C=CC=CC2=N1	REAL250004583041	0	38	-1.0	-57.76	327.50	4.74	-53.02
O=C(CCCC1=NN=N[N-]1)NCCC1=CN2C=CC=CC2=N1	REAL250004583041	1	38	-1.0	-57.76	327.55	4.75	-53.01
CCCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583042	0	37	-1.0	-54.02	296.78	6.67	-47.35
CCCN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583042	1	37	-1.0	-54.26	296.91	6.72	-47.54
CCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583043	0	34	-1.0	-35.73	284.74	5.05	-30.68
CCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583043	1	34	-1.0	-35.73	284.81	5.07	-30.66
CC(C)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583044	0	37	-1.0	-38.44	295.45	6.52	-31.92
CC(C)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583044	1	37	-1.0	-38.36	295.56	6.54	-31.82
CC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583045	0	34	-1.0	-35.69	281.37	4.28	-31.41
CC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583045	1	34	-1.0	-35.64	281.44	4.31	-31.33
CCCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583046	0	40	-1.0	-45.94	314.65	5.56	-40.38
CCCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583046	1	40	-1.0	-45.94	314.71	5.58	-40.36
CCCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583047	0	40	-1.0	-35.55	321.27	6.28	-29.27
CCCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583047	1	40	-1.0	-35.53	321.33	6.28	-29.25
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1CCCC1	REAL250004583048	0	39	-1.0	-46.70	322.17	1.13	-45.57
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1CCCC1	REAL250004583048	1	39	-1.0	-46.76	322.22	1.14	-45.62
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CC1	REAL250004583049	0	39	-1.0	-46.37	329.36	5.46	-40.91
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CC1	REAL250004583049	1	39	-1.0	-46.36	329.42	5.47	-40.89
CN(CC1=CN(C)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583050	0	35	-1.0	-48.67	300.05	3.42	-45.25
CN(CC1=CN(C)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583050	1	35	-1.0	-48.67	299.99	3.40	-45.27
CN(CC1=CN(C)N=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583051	0	35	-1.0	-41.58	307.75	3.81	-37.77
CN(CC1=CN(C)N=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583051	1	35	-1.0	-41.63	307.68	3.79	-37.84
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2N=C1	REAL250004583052	0	34	-1.0	-49.92	294.64	3.75	-46.17
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2N=C1	REAL250004583052	1	34	-1.0	-49.96	294.58	3.74	-46.22
CN(C)C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004583053	0	39	-1.0	-47.46	327.68	3.28	-44.18
CN(C)C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004583053	1	39	-1.0	-47.47	327.74	3.30	-44.17
O=C(CCCC1=N[N-]N=N1)N1CCCC1CC1=CC=CC=C1	REAL250004583054	0	42	-1.0	-49.84	337.85	7.16	-42.68
O=C(CCCC1=NN=N[N-]1)N1CCCC1CC1=CC=CC=C1	REAL250004583054	1	42	-1.0	-49.85	337.91	7.18	-42.67
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CC=N2)C=C1	REAL250004583055	0	36	-1.0	-54.87	311.40	4.58	-50.29
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CC=N2)C=C1	REAL250004583055	1	36	-1.0	-54.88	311.34	4.56	-50.32
O=C(CCCC1=N[N-]N=N1)NCC#CC1=CC=CC=C1	REAL250004583057	0	34	-1.0	-46.67	306.75	4.96	-41.71
O=C(CCCC1=NN=N[N-]1)NCC#CC1=CC=CC=C1	REAL250004583057	1	34	-1.0	-46.69	306.81	4.97	-41.72
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CO1	REAL250004583058	0	35	-1.0	-51.42	304.28	5.32	-46.10
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CO1	REAL250004583058	1	35	-1.0	-51.23	304.38	5.34	-45.89
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CO1	REAL250004583059	0	32	-1.0	-36.31	290.51	2.19	-34.12
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL250004583059	1	32	-1.0	-36.27	290.58	2.21	-34.06
NC(=O)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583060	0	36	-1.0	-55.16	312.17	0.84	-54.32
NC(=O)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583060	1	36	-1.0	-55.14	312.22	0.85	-54.29
CN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004583061	0	32	-1.0	-59.70	279.58	4.00	-55.70
CN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004583061	1	32	-1.0	-59.47	279.68	4.02	-55.45
CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583062	0	29	-1.0	-39.66	265.86	0.91	-38.75
CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583062	1	29	-1.0	-39.62	265.79	0.90	-38.72
C=CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583063	0	39	-1.0	-48.09	330.23	7.10	-40.99
C=CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583063	1	39	-1.0	-48.15	330.29	7.11	-41.04
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=CC=C21	REAL250004583064	0	34	-1.0	-49.38	280.98	4.16	-45.22
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=CC=C21	REAL250004583064	1	34	-1.0	-49.42	281.04	4.18	-45.24
COC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583065	0	34	-1.0	-45.31	285.88	1.89	-43.42
COC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583065	1	34	-1.0	-45.31	285.94	1.91	-43.40
COC(=O)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583066	0	34	-1.0	-35.28	296.46	1.67	-33.61
COC(=O)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583066	1	34	-1.0	-35.29	296.53	1.69	-33.60
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583067	0	41	-1.0	-46.02	327.53	5.38	-40.64
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583067	1	41	-1.0	-46.02	327.59	5.40	-40.62
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C2CC2)C=C1	REAL250004583068	0	42	-1.0	-46.21	342.97	6.43	-39.78
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C2CC2)C=C1	REAL250004583068	1	42	-1.0	-46.25	343.03	6.44	-39.81
NC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583069	0	35	-1.0	-59.77	302.39	-0.56	-60.33
NC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583069	1	35	-1.0	-59.76	302.45	-0.54	-60.30
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CCC1	REAL250004583070	0	42	-1.0	-45.96	341.08	5.92	-40.04
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CCC1	REAL250004583070	1	42	-1.0	-45.94	341.13	5.93	-40.01
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1	REAL250004583071	0	33	-1.0	-46.84	286.04	4.92	-41.92
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1	REAL250004583071	1	33	-1.0	-46.84	286.10	4.93	-41.91
CN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004583072	0	35	-1.0	-44.52	307.17	5.62	-38.90
CN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004583072	1	35	-1.0	-44.52	307.22	5.63	-38.89
CC1CC2=CC=CC=C2N1C(=O)CCCC1=N[N-]N=N1	REAL250004583073	0	36	-1.0	-46.18	291.47	5.98	-40.20
CC1CC2=CC=CC=C2N1C(=O)CCCC1=NN=N[N-]1	REAL250004583073	1	36	-1.0	-46.21	291.53	6.00	-40.21
CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583074	0	38	-1.0	-48.44	316.24	6.50	-41.94
CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583074	1	38	-1.0	-48.44	316.30	6.52	-41.92
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCCC2	REAL250004583075	0	39	-1.0	-48.06	312.15	6.02	-42.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCCC2	REAL250004583075	1	39	-1.0	-48.05	312.21	6.04	-42.01
CSC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583076	0	33	-1.0	-47.26	290.38	4.49	-42.77
CSC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583076	1	33	-1.0	-47.28	290.43	4.51	-42.77
CCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583077	0	36	-1.0	-47.46	302.85	3.72	-43.74
CCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583077	1	36	-1.0	-47.50	302.91	3.73	-43.77
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OC(F)F	REAL250004583078	0	33	-1.0	-48.44	290.77	3.05	-45.39
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OC(F)F	REAL250004583078	1	33	-1.0	-48.43	290.83	3.07	-45.36
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004583079	0	30	-1.0	-53.66	272.53	-6.49	-60.15
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004583079	1	30	-1.0	-53.67	272.59	-6.48	-60.15
NC(=O)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004583080	0	30	-1.0	-48.47	283.14	-6.69	-55.16
NC(=O)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004583080	1	30	-1.0	-48.45	283.21	-6.69	-55.14
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004583081	0	38	-1.0	-47.66	295.08	4.96	-42.70
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004583081	1	38	-1.0	-47.69	295.13	4.98	-42.71
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL250004583082	0	38	-1.0	-35.56	302.86	5.35	-30.21
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL250004583082	1	38	-1.0	-35.55	302.92	5.38	-30.17
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CN=CC=C21	REAL250004583083	0	34	-1.0	-48.78	290.77	3.99	-44.79
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CN=CC=C21	REAL250004583083	1	34	-1.0	-48.76	290.71	3.98	-44.78
O=C(NC1=CC=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583084	0	31	-1.0	-60.07	273.77	6.01	-54.06
O=C(NC1=CC=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583084	1	31	-1.0	-59.87	273.86	6.03	-53.84
O=C(NC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583085	0	28	-1.0	-39.93	259.91	2.85	-37.08
O=C(NC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583085	1	28	-1.0	-39.90	259.84	2.85	-37.05
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004583087	0	35	-1.0	-47.56	306.17	0.19	-47.37
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004583087	1	35	-1.0	-47.59	306.23	0.20	-47.39
CCCCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583088	0	43	-1.0	-46.76	346.42	5.35	-41.41
CCCCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583088	1	43	-1.0	-46.74	346.48	5.37	-41.37
CNC(=O)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583089	0	36	-1.0	-50.82	304.06	2.09	-48.73
CNC(=O)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583089	1	36	-1.0	-50.82	304.12	2.10	-48.72
CC(C1CC1)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583090	0	38	-1.0	-53.02	301.33	6.97	-46.05
CC(C1CC1)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583090	1	38	-1.0	-52.81	301.43	6.99	-45.82
CC(C1CC1)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583091	0	35	-1.0	-35.78	287.38	4.86	-30.92
CC(C1CC1)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583091	1	35	-1.0	-35.75	287.44	4.87	-30.88
O=C(NCC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583092	0	32	-1.0	-52.49	275.04	4.94	-47.55
O=C(NCC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583092	1	32	-1.0	-52.42	275.54	4.92	-47.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CNN=C21	REAL250004583093	0	32	-1.0	-52.73	279.17	2.13	-50.60
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CNN=C21	REAL250004583093	1	32	-1.0	-52.73	279.22	2.14	-50.59
O=C(NC(C1CC1)C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583094	0	39	-1.0	-53.86	323.55	7.16	-46.70
O=C(NC(C1CC1)C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583094	1	39	-1.0	-53.19	327.76	7.25	-45.94
O=C(NC(C1CC1)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583095	0	36	-1.0	-35.34	312.00	4.19	-31.15
O=C(NC(C1CC1)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583095	1	36	-1.0	-35.34	312.07	4.19	-31.15
O=C(CCCC1=N[N-]N=N1)NC1C2CC3CC(C2)CC1C3	REAL250004583096	0	43	-1.0	-47.32	317.96	5.29	-42.03
O=C(CCCC1=NN=N[N-]1)NC1C2CC3CC(C2)CC1C3	REAL250004583096	1	43	-1.0	-47.32	318.01	5.30	-42.02
C=CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004583097	0	36	-1.0	-48.21	321.37	6.21	-42.00
C=CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004583097	1	36	-1.0	-48.23	321.42	6.22	-42.01
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=NC=C1	REAL250004583098	0	38	-1.0	-50.54	315.86	5.13	-45.41
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=NC=C1	REAL250004583098	1	38	-1.0	-50.56	315.91	5.14	-45.42
CC(C)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583099	0	37	-1.0	-52.96	296.93	5.37	-47.59
CC(C)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583099	1	37	-1.0	-52.74	297.01	5.39	-47.35
CC(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583100	0	34	-1.0	-35.23	287.60	2.56	-32.67
CC(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583100	1	34	-1.0	-35.13	287.67	2.58	-32.55
CCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583101	0	41	-1.0	-47.99	337.74	7.26	-40.73
CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583101	1	41	-1.0	-47.98	337.79	7.27	-40.71
CC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004583102	0	39	-1.0	-49.67	310.99	6.62	-43.05
CC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004583102	1	39	-1.0	-49.67	311.04	6.64	-43.03
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583103	0	41	-1.0	-46.22	331.91	5.68	-40.54
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583103	1	41	-1.0	-46.25	331.97	5.70	-40.55
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C2CCC1CC2	REAL250004583104	0	36	-1.0	-56.19	288.18	6.76	-49.43
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C2CCC1CC2	REAL250004583104	1	36	-1.0	-56.45	288.71	6.80	-49.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CC2	REAL250004583105	0	33	-1.0	-37.44	274.00	4.46	-32.98
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CC2	REAL250004583105	1	33	-1.0	-37.41	274.07	4.47	-32.94
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCC1	REAL250004583106	0	38	-1.0	-52.79	298.89	6.81	-45.98
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCC1	REAL250004583106	1	38	-1.0	-53.49	299.54	6.88	-46.61
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004583107	0	35	-1.0	-35.32	285.02	4.78	-30.54
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004583107	1	35	-1.0	-35.30	285.08	4.79	-30.51
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CS1)C1CC1	REAL250004583108	0	36	-1.0	-44.81	313.16	4.83	-39.98
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CS1)C1CC1	REAL250004583108	1	36	-1.0	-44.84	313.22	4.84	-40.00
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CN=C12	REAL250004583110	0	37	-1.0	-50.31	310.81	4.73	-45.58
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CN=C12	REAL250004583110	1	37	-1.0	-50.33	310.75	4.71	-45.62
CC1=CC(C)=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583111	0	35	-1.0	-49.85	305.36	3.92	-45.93
CC1=CC(C)=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583111	1	35	-1.0	-49.85	305.42	3.94	-45.91
CCCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583112	0	40	-1.0	-52.60	329.92	6.45	-46.15
CCCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583112	1	40	-1.0	-52.41	329.98	6.47	-45.94
CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583113	0	37	-1.0	-34.87	315.76	3.36	-31.51
CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583113	1	37	-1.0	-34.81	315.83	3.37	-31.44
CC(C)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583114	0	40	-1.0	-46.72	320.99	4.30	-42.42
CC(C)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583114	1	40	-1.0	-46.72	321.05	4.31	-42.41
CC(C)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583115	0	40	-1.0	-35.43	331.58	4.09	-31.34
CC(C)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583115	1	40	-1.0	-35.40	331.65	4.11	-31.29
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004583116	0	38	-1.0	-50.79	321.36	7.37	-43.42
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004583116	1	38	-1.0	-50.76	321.42	7.39	-43.37
NC(=O)NC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583117	0	35	-1.0	-54.07	302.05	-0.54	-54.61
NC(=O)NC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583117	1	35	-1.0	-54.08	302.11	-0.52	-54.60
CC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004583118	0	34	-1.0	-51.38	306.83	1.97	-49.41
CC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004583118	1	34	-1.0	-51.40	306.89	1.98	-49.42
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C2CCCN12	REAL250004583119	0	35	-1.0	-53.02	299.68	2.96	-50.06
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C2CCCN12	REAL250004583119	1	35	-1.0	-53.03	299.73	2.98	-50.05
CC1(NC(=O)CCCC2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004583120	0	35	-1.0	-52.16	295.29	-0.98	-53.14
CC1(NC(=O)CCCC2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004583120	1	35	-1.0	-52.16	295.35	-0.97	-53.13
O=C(CCCC1=N[N-]N=N1)NN1C=NC2=CC=CC=C21	REAL250004583121	0	32	-1.0	-51.02	279.67	4.24	-46.78
O=C(CCCC1=NN=N[N-]1)NN1C=NC2=CC=CC=C21	REAL250004583121	1	32	-1.0	-51.00	279.72	4.26	-46.74
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583122	0	36	-1.0	-52.31	312.36	0.53	-51.78
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583122	1	36	-1.0	-52.31	312.41	0.55	-51.76
CCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583123	0	35	-1.0	-47.60	291.76	5.03	-42.57
CCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583123	1	35	-1.0	-47.61	291.82	5.04	-42.57
CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583124	0	35	-1.0	-35.89	301.67	4.79	-31.10
CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583124	1	35	-1.0	-35.94	301.61	4.78	-31.16
CCCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583125	0	39	-1.0	-47.09	324.36	4.51	-42.58
CCCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583125	1	39	-1.0	-47.13	324.42	4.52	-42.61
O=C(CCCC1=N[N-]N=N1)NOCC1=CC=CC=C1	REAL250004583126	0	33	-1.0	-51.62	292.45	4.60	-47.02
O=C(CCCC1=NN=N[N-]1)NOCC1=CC=CC=C1	REAL250004583126	1	33	-1.0	-51.69	292.51	4.62	-47.07
O=C(NOCC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583127	0	33	-1.0	-37.52	303.05	4.40	-33.12
O=C(NOCC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583127	1	33	-1.0	-37.46	303.11	4.40	-33.06
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC=C1F	REAL250004583128	0	36	-1.0	-50.81	315.21	3.16	-47.65
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC=C1F	REAL250004583128	1	36	-1.0	-50.83	315.27	3.17	-47.66
COC(=O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004583129	0	32	-1.0	-46.53	283.95	-1.85	-48.38
COC(=O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004583129	1	32	-1.0	-46.49	284.01	-1.83	-48.32
COC(=O)C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583130	0	32	-1.0	-39.81	294.54	-2.05	-41.86
COC(=O)C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583130	1	32	-1.0	-39.83	294.61	-2.03	-41.86
COC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583131	0	34	-1.0	-49.88	297.53	4.35	-45.53
COC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583131	1	34	-1.0	-49.55	298.02	4.32	-45.23
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583132	0	31	-1.0	-37.20	283.80	1.19	-36.01
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583132	1	31	-1.0	-37.20	283.87	1.22	-35.98
CCC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583133	0	44	-1.0	-47.38	322.44	6.25	-41.13
CCC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583133	1	44	-1.0	-47.40	322.49	6.26	-41.14
CC1CCCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583134	0	41	-1.0	-47.66	315.93	5.57	-42.09
CC1CCCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583134	1	41	-1.0	-47.70	315.98	5.59	-42.11
CC(C1=CC=CO1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583135	0	35	-1.0	-47.45	292.10	4.29	-43.16
CC(C1=CC=CO1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583135	1	35	-1.0	-47.47	292.16	4.31	-43.16
CC(C1=CC=CO1)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583136	0	35	-1.0	-36.74	300.38	4.59	-32.15
CC(C1=CC=CO1)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583136	1	35	-1.0	-36.70	300.45	4.60	-32.10
CCOC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583137	0	37	-1.0	-48.76	317.99	2.95	-45.81
CCOC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583137	1	37	-1.0	-48.80	318.05	2.97	-45.83
COC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583138	0	31	-1.0	-49.48	277.26	3.47	-46.01
COC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583138	1	31	-1.0	-49.30	277.32	3.49	-45.81
COC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583139	0	28	-1.0	-37.42	263.10	0.37	-37.05
COC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583139	1	28	-1.0	-37.37	263.17	0.38	-36.99
CC1=CC=C(OCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583140	0	39	-1.0	-47.82	330.39	3.77	-44.05
CC1=CC=C(OCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583140	1	39	-1.0	-47.86	330.44	3.78	-44.08
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(=O)CC1	REAL250004583141	0	34	-1.0	-48.37	288.29	5.47	-42.90
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(=O)CC1	REAL250004583141	1	34	-1.0	-48.13	288.38	5.49	-42.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(=O)CC1	REAL250004583142	0	31	-1.0	-36.17	267.84	3.00	-33.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(=O)CC1	REAL250004583142	1	31	-1.0	-36.12	267.91	3.01	-33.11
CN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583143	0	35	-1.0	-47.16	308.97	5.71	-41.45
CN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583143	1	35	-1.0	-47.15	309.03	5.72	-41.43
O=C(NCC(F)(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583144	0	28	-1.0	-48.44	263.24	3.81	-44.63
O=C(NCC(F)(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583144	1	28	-1.0	-48.24	263.31	3.84	-44.40
O=C(NCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583145	0	25	-1.0	-34.57	249.09	0.72	-33.85
O=C(NCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583145	1	25	-1.0	-34.55	249.15	0.73	-33.82
COC(=O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583146	0	34	-1.0	-59.98	299.38	4.12	-55.86
COC(=O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583146	1	34	-1.0	-59.80	299.45	4.14	-55.66
COC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583147	0	31	-1.0	-39.42	285.23	1.04	-38.38
COC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583147	1	31	-1.0	-39.39	285.29	1.05	-38.34
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583148	0	37	-1.0	-49.70	305.83	3.77	-45.93
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583148	1	37	-1.0	-49.73	305.88	3.79	-45.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CC=N2)N=C1	REAL250004583149	0	35	-1.0	-52.04	308.92	3.90	-48.14
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CC=N2)N=C1	REAL250004583149	1	35	-1.0	-52.04	308.86	3.88	-48.16
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNC=C2C1	REAL250004583150	0	33	-1.0	-51.00	275.25	2.19	-48.81
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNC=C2C1	REAL250004583150	1	33	-1.0	-51.01	275.31	2.20	-48.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=NNC=C2C1	REAL250004583151	0	33	-1.0	-37.87	282.66	2.44	-35.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=NNC=C2C1	REAL250004583151	1	33	-1.0	-37.89	282.72	2.45	-35.44
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL250004583152	0	35	-1.0	-54.36	299.55	6.90	-47.46
CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL250004583152	1	35	-1.0	-54.14	299.57	6.92	-47.22
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004583153	0	32	-1.0	-36.08	285.05	3.83	-32.25
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004583153	1	32	-1.0	-36.07	284.98	3.82	-32.25
CC(C)CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583154	0	43	-1.0	-46.69	342.49	5.08	-41.61
CC(C)CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583154	1	43	-1.0	-46.69	342.55	5.09	-41.60
CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583155	0	31	-1.0	-47.12	285.67	1.20	-45.92
CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583155	1	31	-1.0	-47.17	285.73	1.22	-45.95
CN(CC1=NN=C2CCCN12)C(=O)CCCC1=N[N-]N=N1	REAL250004583156	0	38	-1.0	-48.91	314.22	5.12	-43.79
CN(CC1=NN=C2CCCN12)C(=O)CCCC1=NN=N[N-]1	REAL250004583156	1	38	-1.0	-48.91	314.28	5.14	-43.77
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CN=C2)C=C1	REAL250004583157	0	36	-1.0	-51.20	308.94	5.74	-45.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CN=C2)C=C1	REAL250004583157	1	36	-1.0	-51.15	309.00	5.76	-45.39
NC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583158	0	36	-1.0	-54.28	313.63	0.25	-54.03
NC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583158	1	36	-1.0	-54.26	313.69	0.27	-53.99
CN(CC1=NC2=CC=CC=C2N1)C(=O)CCCC1=NN=N[N-]1	REAL250004583159	0	38	-1.0	-58.91	323.28	4.37	-54.54
CN(CC1=NC2=CC=CC=C2N1)C(=O)CCCC1=N[N-]N=N1	REAL250004583159	1	38	-1.0	-58.93	323.22	4.36	-54.57
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004583160	0	37	-1.0	-44.60	304.31	2.89	-41.71
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004583160	1	37	-1.0	-44.61	304.36	2.91	-41.70
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC2=CC=CC=C21	REAL250004583161	0	42	-1.0	-48.34	332.69	7.62	-40.72
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC2=CC=CC=C21	REAL250004583161	1	42	-1.0	-48.36	332.75	7.63	-40.73
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1	REAL250004583162	0	31	-1.0	-46.64	276.33	3.05	-43.59
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1	REAL250004583162	1	31	-1.0	-46.66	276.39	3.06	-43.60
O=C(NNC1=CC=C(F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583163	0	31	-1.0	-35.12	286.92	2.83	-32.29
O=C(NNC1=CC=C(F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583163	1	31	-1.0	-35.10	286.99	2.84	-32.26
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NC=N2)C=C1	REAL250004583164	0	35	-1.0	-55.52	306.33	5.90	-49.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NC=N2)C=C1	REAL250004583164	1	35	-1.0	-55.50	306.28	5.88	-49.62
CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583165	0	34	-1.0	-52.76	277.73	4.66	-48.10
CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583165	1	34	-1.0	-52.58	277.80	4.68	-47.90
CC(C)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583166	0	38	-1.0	-47.48	309.08	5.47	-42.01
CC(C)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583166	1	38	-1.0	-47.42	309.14	5.49	-41.93
CC(C)(C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583167	0	43	-1.0	-45.56	311.73	4.83	-40.73
CC(C)(C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583167	1	43	-1.0	-45.55	311.78	4.84	-40.71
CCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583168	0	37	-1.0	-52.49	291.96	5.17	-47.32
CCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583168	1	37	-1.0	-52.28	292.03	5.19	-47.09
CCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583169	0	34	-1.0	-35.16	277.80	2.07	-33.09
CCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583169	1	34	-1.0	-35.10	277.87	2.08	-33.02
O=C(CCCC1=N[N-]N=N1)NC12CC3CC(CC(C3)C1)C2	REAL250004583170	0	43	-1.0	-47.51	314.76	4.78	-42.73
O=C(CCCC1=NN=N[N-]1)NC12CC3CC(CC(C3)C1)C2	REAL250004583170	1	43	-1.0	-47.49	314.81	4.79	-42.70
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2)CC1	REAL250004583171	0	40	-1.0	-47.62	330.48	7.19	-40.43
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2)CC1	REAL250004583171	1	40	-1.0	-47.61	330.54	7.21	-40.40
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NNC=C2C=C1	REAL250004583172	0	32	-1.0	-52.31	279.17	2.10	-50.21
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NNC=C2C=C1	REAL250004583172	1	32	-1.0	-52.32	279.23	2.11	-50.21
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583173	0	35	-1.0	-46.17	300.49	4.15	-42.02
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583173	1	35	-1.0	-46.21	300.54	4.16	-42.05
CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004583174	0	35	-1.0	-35.58	311.08	3.94	-31.64
CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004583174	1	35	-1.0	-35.57	311.15	3.94	-31.63
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(Cl)=C1	REAL250004583175	0	31	-1.0	-47.06	286.64	3.50	-43.56
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(Cl)=C1	REAL250004583175	1	31	-1.0	-47.02	286.69	3.51	-43.51
NC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004583176	0	33	-1.0	-54.21	292.08	0.23	-53.98
NC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004583176	1	33	-1.0	-54.25	292.14	0.24	-54.01
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CNN=C2C=C1	REAL250004583177	0	32	-1.0	-51.43	279.59	2.08	-49.35
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CNN=C2C=C1	REAL250004583177	1	32	-1.0	-51.42	279.65	2.09	-49.33
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CN=C1)C1CC1	REAL250004583178	0	38	-1.0	-51.57	314.08	5.12	-46.45
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CN=C1)C1CC1	REAL250004583178	1	38	-1.0	-51.57	314.03	5.11	-46.46
COC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583179	0	32	-1.0	-49.05	298.09	3.17	-45.88
COC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583179	1	32	-1.0	-49.04	298.15	3.18	-45.86
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004583180	0	41	-1.0	-47.54	307.72	5.45	-42.09
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004583180	1	41	-1.0	-47.57	307.78	5.46	-42.11
CC1CC(=O)NN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583181	0	30	-1.0	-38.68	264.68	1.14	-37.54
CC1CC(=O)NN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583181	1	30	-1.0	-38.68	264.74	1.15	-37.53
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004583182	0	42	-1.0	-46.78	322.42	4.85	-41.93
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004583182	1	42	-1.0	-46.80	322.48	4.86	-41.94
CCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583183	0	34	-1.0	-54.53	276.74	5.97	-48.56
CCN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583183	1	34	-1.0	-52.95	276.98	5.98	-46.97
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC=CC2=C1	REAL250004583184	0	33	-1.0	-50.46	284.78	3.39	-47.07
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC=CC2=C1	REAL250004583184	1	33	-1.0	-50.46	284.83	3.40	-47.06
CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583185	0	35	-1.0	-54.38	296.14	7.15	-47.23
CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583185	1	35	-1.0	-54.21	296.24	7.17	-47.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583186	0	32	-1.0	-36.06	281.47	4.02	-32.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583186	1	32	-1.0	-36.08	281.40	4.00	-32.08
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583187	0	35	-1.0	-48.31	292.19	4.88	-43.43
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583187	1	35	-1.0	-48.28	292.25	4.89	-43.39
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004583188	0	35	-1.0	-36.14	302.87	4.68	-31.46
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004583188	1	35	-1.0	-36.16	302.80	4.67	-31.49
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL250004583189	0	39	-1.0	-48.67	313.65	6.37	-42.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL250004583189	1	39	-1.0	-48.71	313.71	6.38	-42.33
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CC2=CC=CC=C21	REAL250004583190	0	37	-1.0	-48.72	316.82	3.75	-44.97
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CC2=CC=CC=C21	REAL250004583190	1	37	-1.0	-48.72	316.88	3.76	-44.96
O=C(CCCC1=N[N-]N=N1)NCCC1CCCO1	REAL250004583191	0	36	-1.0	-49.71	297.09	1.55	-48.16
O=C(CCCC1=NN=N[N-]1)NCCC1CCCO1	REAL250004583191	1	36	-1.0	-49.69	297.15	1.57	-48.12
O=C(NCCC1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583192	0	36	-1.0	-37.12	307.68	1.36	-35.76
O=C(NCCC1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583192	1	36	-1.0	-37.09	307.75	1.36	-35.73
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CN=C1	REAL250004583193	0	34	-1.0	-50.44	295.47	2.48	-47.96
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CN=C1	REAL250004583193	1	34	-1.0	-50.45	295.41	2.46	-47.99
O=C(NCCC1=CC=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583194	0	34	-1.0	-38.16	306.08	2.27	-35.89
O=C(NCCC1=CC=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583194	1	34	-1.0	-38.14	306.01	2.26	-35.88
CN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004583195	0	35	-1.0	-55.78	296.17	0.29	-55.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004583195	1	35	-1.0	-55.85	296.23	0.30	-55.55
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)(=O)C1	REAL250004583196	0	32	-1.0	-54.22	283.21	-1.43	-55.65
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)(=O)C1	REAL250004583196	1	32	-1.0	-54.23	283.27	-1.42	-55.65
O=C(NC1=NCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583197	0	27	-1.0	-35.75	257.33	0.26	-35.49
O=C(NC1=NCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583197	1	27	-1.0	-35.75	257.40	0.27	-35.48
CC(C)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583198	1	40	-1.0	-46.27	305.12	2.28	-43.99
CC(C)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583198	1	40	-1.0	-46.27	305.18	2.29	-43.98
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)N=C1	REAL250004583199	0	28	-1.0	-46.71	265.07	2.05	-44.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)N=C1	REAL250004583199	1	28	-1.0	-46.70	265.01	2.03	-44.67
O=C(CCCC1=N[N-]N=N1)NCCOCC(F)(F)F	REAL250004583200	0	32	-1.0	-49.91	294.20	0.97	-48.94
O=C(CCCC1=NN=N[N-]1)NCCOCC(F)(F)F	REAL250004583200	1	32	-1.0	-49.88	294.25	0.99	-48.89
CCCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583201	0	37	-1.0	-38.55	302.46	6.77	-31.78
CCCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583201	1	37	-1.0	-38.45	302.56	6.79	-31.66
CCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583202	0	34	-1.0	-35.66	287.95	4.52	-31.14
CCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583202	1	34	-1.0	-35.68	288.02	4.55	-31.13
CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583203	0	38	-1.0	-58.90	323.86	7.44	-51.46
CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583203	1	38	-1.0	-58.87	323.80	7.43	-51.44
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CO1	REAL250004583204	0	36	-1.0	-51.18	319.89	-0.06	-51.24
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CO1	REAL250004583204	1	36	-1.0	-51.17	319.95	-0.05	-51.22
CC1=NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2O1	REAL250004583205	0	34	-1.0	-50.92	296.91	1.01	-49.91
CC1=NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2O1	REAL250004583205	1	34	-1.0	-50.96	296.97	1.02	-49.94
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CC1	REAL250004583206	0	39	-1.0	-46.25	321.53	5.75	-40.50
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CC1	REAL250004583206	1	39	-1.0	-46.34	321.59	5.77	-40.57
CC1=CC=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583207	0	42	-1.0	-49.19	342.14	7.60	-41.59
CC1=CC=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583207	1	42	-1.0	-49.19	342.20	7.62	-41.57
CN(CC1=CSC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583208	0	32	-1.0	-48.50	286.89	4.53	-43.97
CN(CC1=CSC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583208	1	32	-1.0	-48.49	286.95	4.55	-43.94
CN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004583209	0	32	-1.0	-49.18	287.41	4.70	-44.48
CN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004583209	1	32	-1.0	-49.18	287.46	4.71	-44.47
CC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583210	0	41	-1.0	-47.38	304.20	5.59	-41.79
CC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583210	1	41	-1.0	-47.40	304.26	5.60	-41.80
CC(C)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583211	0	42	-1.0	-52.97	332.05	3.83	-49.14
CC(C)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583211	1	42	-1.0	-53.06	332.11	3.85	-49.21
CC1C2=C(CCN1C(=O)CCCC1=N[N-]N=N1)SC=C2	REAL250004583212	0	36	-1.0	-46.62	298.73	5.42	-41.20
CC1C2=C(CCN1C(=O)CCCC1=NN=N[N-]1)SC=C2	REAL250004583212	1	36	-1.0	-46.59	298.79	5.43	-41.16
CCNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583213	0	35	-1.0	-47.40	297.70	-0.19	-47.59
CCNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583213	1	35	-1.0	-47.36	297.76	-0.18	-47.54
CCNC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583214	0	35	-1.0	-40.27	308.30	-0.41	-40.68
CCNC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583214	1	35	-1.0	-40.31	308.36	-0.39	-40.70
COCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583215	0	36	-1.0	-48.30	308.35	3.08	-45.22
COCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583215	1	36	-1.0	-48.34	308.41	3.10	-45.24
COC(=O)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583216	0	34	-1.0	-43.63	293.88	5.62	-38.01
COC(=O)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583216	1	34	-1.0	-43.42	293.99	5.64	-37.78
COC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583217	0	31	-1.0	-40.29	279.39	3.37	-36.92
COC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583217	1	31	-1.0	-40.25	279.45	3.38	-36.87
CCN(CCC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004583218	0	38	-1.0	-47.33	328.87	6.38	-40.95
CCN(CCC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004583218	1	38	-1.0	-47.36	328.93	6.39	-40.97
O=C(CCCC1=N[N-]N=N1)NCCC(=O)N1CCCC1	REAL250004583219	0	39	-1.0	-57.32	324.36	2.01	-55.31
O=C(CCCC1=NN=N[N-]1)NCCC(=O)N1CCCC1	REAL250004583219	1	39	-1.0	-57.35	324.42	2.02	-55.33
NC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583220	0	29	-1.0	-51.62	259.47	-0.48	-52.10
NC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583220	1	29	-1.0	-51.46	259.54	-0.45	-51.91
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004583221	0	35	-1.0	-52.80	289.73	5.54	-47.26
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004583221	1	35	-1.0	-52.62	289.84	5.56	-47.06
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583222	0	32	-1.0	-35.09	275.95	2.42	-32.67
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583222	1	32	-1.0	-35.06	276.02	2.43	-32.63
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583223	0	36	-1.0	-48.01	289.27	2.63	-45.38
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583223	1	36	-1.0	-48.03	289.33	2.65	-45.38
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004583224	0	36	-1.0	-35.89	296.95	2.88	-33.01
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004583224	1	36	-1.0	-35.90	297.02	2.89	-33.01
CNC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583225	0	32	-1.0	-51.68	281.40	1.00	-50.68
CNC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583225	1	32	-1.0	-51.48	281.47	1.02	-50.46
CNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583226	0	29	-1.0	-40.62	267.25	-2.10	-42.72
CNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583226	1	29	-1.0	-40.57	267.32	-2.09	-42.66
COCC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583227	0	39	-1.0	-46.15	328.81	3.34	-42.81
COCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583227	1	39	-1.0	-46.16	328.87	3.35	-42.81
CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004583228	0	35	-1.0	-48.54	307.38	5.61	-42.93
CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004583228	1	35	-1.0	-48.57	307.43	5.62	-42.95
O=C(NCC1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583229	0	35	-1.0	-52.57	291.73	5.46	-47.11
O=C(NCC1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583229	1	35	-1.0	-52.40	291.83	5.45	-46.95
O=C(NCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583230	0	32	-1.0	-34.83	278.00	2.33	-32.50
O=C(NCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583230	1	32	-1.0	-34.83	278.07	2.33	-32.50
CCOC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583231	0	38	-1.0	-48.81	327.02	1.18	-47.63
CCOC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583231	1	38	-1.0	-48.82	326.96	1.17	-47.65
O=C(CCCC1=N[N-]N=N1)NCC1CCS(=O)(=O)C1	REAL250004583232	0	35	-1.0	-55.90	303.67	-0.80	-56.70
O=C(CCCC1=NN=N[N-]1)NCC1CCS(=O)(=O)C1	REAL250004583232	1	35	-1.0	-55.89	303.73	-0.78	-56.67
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583233	0	38	-1.0	-46.39	295.33	5.33	-41.06
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583233	1	38	-1.0	-46.46	295.39	5.34	-41.12
CC(C)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583234	0	38	-1.0	-35.66	304.85	6.07	-29.59
CC(C)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583234	1	38	-1.0	-35.60	304.92	6.07	-29.53
CC(C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583235	0	41	-1.0	-45.72	320.58	6.08	-39.64
CC(C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583235	1	41	-1.0	-45.73	320.64	6.09	-39.64
CC(C)C(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583236	0	40	-1.0	-38.39	312.49	7.49	-30.90
CC(C)C(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583236	1	40	-1.0	-38.23	312.59	7.51	-30.72
CC(C)C(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583237	0	37	-1.0	-35.81	298.74	5.19	-30.62
CC(C)C(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583237	1	37	-1.0	-35.81	298.80	5.21	-30.60
O=C(NNC1=NC=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583238	0	32	-1.0	-54.67	286.38	5.56	-49.11
O=C(NNC1=NC=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583238	1	32	-1.0	-54.55	286.47	5.58	-48.97
O=C(NNC1=NC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583239	0	29	-1.0	-38.63	272.59	2.49	-36.14
O=C(NNC1=NC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583239	1	29	-1.0	-38.64	272.66	2.49	-36.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004583240	0	37	-1.0	-47.84	313.87	6.14	-41.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004583240	1	37	-1.0	-47.87	313.93	6.16	-41.71
CC1C2=CC=CN2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583241	0	37	-1.0	-50.11	301.00	5.24	-44.87
CC1C2=CC=CN2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583241	1	37	-1.0	-50.15	301.06	5.26	-44.89
O=C(CCCC1=NN=N[N-]1)N1CCN2C3=CC=CC=C3N=C12	REAL250004583242	0	36	-1.0	-48.33	307.24	7.42	-40.91
O=C(CCCC1=N[N-]N=N1)N1CCN2C3=CC=CC=C3N=C12	REAL250004583242	1	36	-1.0	-48.32	307.18	7.41	-40.91
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CS1)C1CC1	REAL250004583243	0	36	-1.0	-47.09	307.10	5.96	-41.13
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CS1)C1CC1	REAL250004583243	1	36	-1.0	-47.14	307.15	5.97	-41.17
COC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583244	0	35	-1.0	-48.87	305.17	0.24	-48.63
COC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583244	1	35	-1.0	-48.86	305.11	0.22	-48.64
CC(C)CN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004583245	0	38	-1.0	-55.84	311.68	1.24	-54.60
CC(C)CN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004583245	1	38	-1.0	-55.90	311.73	1.25	-54.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1N1C=NC=N1	REAL250004583246	0	35	-1.0	-51.20	301.65	6.57	-44.63
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1N1C=NC=N1	REAL250004583246	1	35	-1.0	-51.23	301.59	6.55	-44.68
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004583247	0	38	-1.0	-48.20	302.70	2.49	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004583247	1	38	-1.0	-48.22	302.76	2.50	-45.72
CS(=O)(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583248	0	36	-1.0	-55.76	319.21	-2.61	-58.37
CS(=O)(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583248	1	36	-1.0	-55.78	319.27	-2.59	-58.37
CCCCC(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583249	0	43	-1.0	-46.26	334.92	4.74	-41.52
CCCCC(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583249	1	43	-1.0	-46.27	334.98	4.75	-41.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CN=C2)N=C1	REAL250004583250	0	35	-1.0	-49.97	306.33	5.04	-44.93
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CN=C2)N=C1	REAL250004583250	1	35	-1.0	-49.99	306.39	5.05	-44.94
CC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583251	0	35	-1.0	-55.13	301.46	-0.41	-55.54
CC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583251	1	35	-1.0	-55.12	301.52	-0.40	-55.52
CC(=O)NCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583252	0	35	-1.0	-41.99	312.08	-0.63	-42.62
CC(=O)NCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583252	1	35	-1.0	-41.92	312.14	-0.62	-42.54
CCCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583253	0	40	-1.0	-46.70	324.92	4.57	-42.13
CCCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583253	1	40	-1.0	-46.71	324.98	4.59	-42.12
CCCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583254	0	40	-1.0	-35.44	335.51	4.36	-31.08
CCCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583254	1	40	-1.0	-35.48	335.58	4.39	-31.09
CC(C)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583255	0	46	-1.0	-46.33	365.73	5.63	-40.70
CC(C)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583255	1	46	-1.0	-46.31	365.79	5.65	-40.66
CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583256	0	46	-1.0	-46.31	369.66	5.91	-40.40
CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583256	1	46	-1.0	-46.30	369.72	5.92	-40.38
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=CC=CC=C21	REAL250004583257	0	42	-1.0	-48.23	335.54	5.83	-42.40
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=CC=CC=C21	REAL250004583257	1	42	-1.0	-48.25	335.60	5.85	-42.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NC=N2)N=C1	REAL250004583258	0	34	-1.0	-51.53	303.73	5.24	-46.29
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NC=N2)N=C1	REAL250004583258	1	34	-1.0	-51.45	303.68	5.22	-46.23
CN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004583259	0	41	-1.0	-47.92	315.06	5.76	-42.16
CN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004583259	1	41	-1.0	-47.91	315.11	5.77	-42.14
COCCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004583260	0	39	-1.0	-53.13	321.62	3.86	-49.27
COCCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004583260	1	39	-1.0	-53.10	321.67	3.88	-49.22
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004583261	0	35	-1.0	-48.70	311.33	6.44	-42.26
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004583261	1	35	-1.0	-48.68	311.39	6.45	-42.23
CCC1=CC=C(N(CC)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583262	0	41	-1.0	-48.04	337.48	7.36	-40.68
CCC1=CC=C(N(CC)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583262	1	41	-1.0	-48.06	337.54	7.38	-40.68
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(OC)=C1	REAL250004583263	0	39	-1.0	-49.09	324.09	5.22	-43.87
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(OC)=C1	REAL250004583263	1	39	-1.0	-49.12	324.15	5.23	-43.89
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583264	0	35	-1.0	-48.17	294.60	5.92	-42.25
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583264	1	35	-1.0	-48.19	294.65	5.93	-42.26
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004583265	0	35	-1.0	-36.06	291.12	6.31	-29.75
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004583265	1	35	-1.0	-36.05	291.18	6.31	-29.74
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C)=C1	REAL250004583266	0	38	-1.0	-48.29	316.02	6.59	-41.70
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C)=C1	REAL250004583266	1	38	-1.0	-48.29	316.08	6.60	-41.69
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004583267	0	39	-1.0	-48.59	324.11	5.21	-43.38
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004583267	1	39	-1.0	-48.60	324.17	5.23	-43.37
CN1N=CC2=C1CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004583268	0	39	-1.0	-54.67	318.78	2.86	-51.81
CN1N=CC2=C1CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004583268	1	39	-1.0	-54.67	318.83	2.87	-51.80
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=CO2)=C1	REAL250004583269	0	34	-1.0	-60.59	304.22	-0.73	-61.32
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=CO2)=C1	REAL250004583269	1	34	-1.0	-60.61	304.28	-0.72	-61.33
CN1C=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583270	0	31	-1.0	-51.90	274.63	2.53	-49.37
CN1C=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583270	1	31	-1.0	-51.96	274.69	2.54	-49.42
CN1C=NN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583271	0	34	-1.0	-56.49	299.00	5.42	-51.07
CN1C=NN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583271	1	34	-1.0	-56.29	299.10	5.45	-50.84
CN1C=NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583272	0	31	-1.0	-42.36	285.22	2.32	-40.04
CN1C=NN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583272	1	31	-1.0	-42.30	285.29	2.32	-39.98
CN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583273	0	32	-1.0	-39.22	268.44	2.00	-37.22
CN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583273	1	32	-1.0	-39.11	268.54	2.02	-37.09
O=C(NCCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583274	0	32	-1.0	-53.16	276.84	0.76	-52.40
O=C(NCCCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583274	1	32	-1.0	-52.97	276.91	0.79	-52.18
CCC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583275	0	35	-1.0	-52.49	288.24	1.57	-50.92
CCC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583275	1	35	-1.0	-52.25	288.30	1.59	-50.66
CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583276	0	32	-1.0	-36.47	281.23	-1.22	-37.69
CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583276	1	32	-1.0	-36.46	281.30	-1.20	-37.66
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CO	REAL250004583277	0	36	-1.0	-46.17	279.20	2.35	-43.82
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CO	REAL250004583277	1	36	-1.0	-46.13	279.26	2.36	-43.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CO	REAL250004583278	0	36	-1.0	-36.94	288.53	2.60	-34.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CO	REAL250004583278	1	36	-1.0	-36.92	288.58	2.60	-34.32
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1=CC=CC=C1	REAL250004583279	0	39	-1.0	-49.95	325.51	3.29	-46.66
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1=CC=CC=C1	REAL250004583279	1	39	-1.0	-49.94	325.57	3.30	-46.64
CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583280	0	35	-1.0	-53.64	285.13	2.84	-50.80
CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583280	1	35	-1.0	-53.48	285.22	2.85	-50.63
CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583281	0	32	-1.0	-35.98	274.85	0.88	-35.10
CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583281	1	32	-1.0	-35.95	274.92	0.89	-35.06
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(O)C1	REAL250004583282	0	36	-1.0	-52.29	291.29	2.79	-49.50
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(O)C1	REAL250004583282	1	36	-1.0	-52.97	291.44	2.86	-50.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(O)C1	REAL250004583283	0	33	-1.0	-35.54	276.07	0.48	-35.06
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(O)C1	REAL250004583283	1	33	-1.0	-35.53	276.14	0.48	-35.05
O=C(CCCC1=N[N-]N=N1)N1CCN(CCO)CC1	REAL250004583284	0	38	-1.0	-48.44	301.49	-1.46	-49.90
O=C(CCCC1=NN=N[N-]1)N1CCN(CCO)CC1	REAL250004583284	1	38	-1.0	-48.48	301.55	-1.44	-49.92
CC(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583285	0	32	-1.0	-51.88	276.08	0.85	-51.03
CC(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583285	1	32	-1.0	-51.70	276.15	0.87	-50.83
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CC(F)=C1	REAL250004583286	0	32	-1.0	-45.40	291.91	3.62	-41.78
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CC(F)=C1	REAL250004583286	1	32	-1.0	-45.40	291.96	3.63	-41.77
O=C(CCCC1=N[N-]N=N1)N1CCCC(CO)C1	REAL250004583287	0	36	-1.0	-48.74	288.31	0.91	-47.83
O=C(CCCC1=NN=N[N-]1)N1CCCC(CO)C1	REAL250004583287	1	36	-1.0	-48.73	288.37	0.92	-47.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CO)C1	REAL250004583288	0	36	-1.0	-38.69	296.66	1.08	-37.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CO)C1	REAL250004583288	1	36	-1.0	-38.64	296.73	1.09	-37.55
CCCCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004583289	0	38	-1.0	-48.82	309.50	1.82	-47.00
CCCCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004583289	1	38	-1.0	-48.84	309.56	1.83	-47.01
CCCCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583290	0	38	-1.0	-35.94	317.47	2.46	-33.48
CCCCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583290	1	38	-1.0	-35.93	317.54	2.48	-33.45
O=C(NCCOCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583291	0	36	-1.0	-56.39	310.75	0.29	-56.10
O=C(NCCOCCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583291	1	36	-1.0	-56.17	310.82	0.32	-55.85
O=C(NCCOCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583292	0	33	-1.0	-39.14	296.59	-2.80	-41.94
O=C(NCCOCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583292	1	33	-1.0	-39.14	296.66	-2.79	-41.93
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CCO	REAL250004583293	0	39	-1.0	-51.09	301.31	1.50	-49.59
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CCO	REAL250004583293	1	39	-1.0	-51.08	301.37	1.51	-49.57
CCCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583294	0	38	-1.0	-53.94	306.85	3.61	-50.33
CCCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583294	1	38	-1.0	-53.69	306.94	3.61	-50.08
CCCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583295	0	35	-1.0	-35.91	295.97	1.68	-34.23
CCCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583295	1	35	-1.0	-35.93	296.04	1.69	-34.24
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)CC1	REAL250004583296	0	36	-1.0	-39.69	292.61	2.81	-36.88
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)CC1	REAL250004583296	1	36	-1.0	-39.52	292.72	2.81	-36.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)CC1	REAL250004583297	0	33	-1.0	-36.54	275.65	0.54	-36.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)CC1	REAL250004583297	1	33	-1.0	-36.52	275.71	0.54	-35.98
O=C(CCCC1=N[N-]N=N1)NCC(O)CN1CCOCC1	REAL250004583298	0	42	-1.0	-47.54	340.06	-3.39	-50.93
O=C(CCCC1=NN=N[N-]1)NCC(O)CN1CCOCC1	REAL250004583298	1	42	-1.0	-47.49	340.11	-3.37	-50.86
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=CO1	REAL250004583299	0	39	-1.0	-48.19	327.32	1.09	-47.10
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=CO1	REAL250004583299	1	39	-1.0	-48.27	327.38	1.10	-47.17
CC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583300	0	32	-1.0	-53.17	274.21	0.98	-52.19
CC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583300	1	32	-1.0	-53.07	274.29	1.00	-52.07
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NNC=C2)=C1	REAL250004583301	0	36	-1.0	-58.73	312.14	3.39	-55.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC=C2)=C1	REAL250004583301	1	36	-1.0	-58.76	312.20	3.40	-55.36
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=N1	REAL250004583302	0	35	-1.0	-49.55	303.13	2.23	-47.32
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=N1	REAL250004583302	1	35	-1.0	-49.58	303.08	2.22	-47.36
O=C(NCCCN1C=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583303	0	35	-1.0	-39.98	313.74	2.02	-37.96
O=C(NCCCN1C=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583303	1	35	-1.0	-39.96	313.67	2.03	-37.93
CC1=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004583304	0	38	-1.0	-49.58	317.18	2.47	-47.11
CC1=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004583304	1	38	-1.0	-49.55	317.24	2.49	-47.06
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=C1	REAL250004583306	0	32	-1.0	-46.60	285.49	3.55	-43.05
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=C1	REAL250004583306	1	32	-1.0	-46.61	285.55	3.56	-43.05
O=C(NCC1=CC=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583307	0	32	-1.0	-36.24	296.08	3.34	-32.90
O=C(NCC1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583307	1	32	-1.0	-36.23	296.15	3.34	-32.89
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C(F)=C1	REAL250004583308	0	32	-1.0	-47.10	291.79	3.60	-43.50
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C(F)=C1	REAL250004583308	1	32	-1.0	-47.09	291.85	3.61	-43.48
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583309	0	38	-1.0	-46.83	318.03	4.99	-41.84
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583309	1	38	-1.0	-46.84	318.08	5.00	-41.84
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583310	0	38	-1.0	-46.18	310.41	4.93	-41.25
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583310	1	38	-1.0	-46.17	310.47	4.95	-41.22
CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583311	0	38	-1.0	-49.31	318.67	6.37	-42.94
CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583311	1	38	-1.0	-49.30	318.73	6.39	-42.91
COC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583312	0	39	-1.0	-47.94	326.06	3.62	-44.32
COC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583312	1	39	-1.0	-47.94	326.12	3.64	-44.30
COC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583313	0	39	-1.0	-49.11	326.07	3.60	-45.51
COC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583313	1	39	-1.0	-49.13	326.12	3.62	-45.51
O=C(CCCC1=N[N-]N=N1)NCC1=C(F)C=CC=C1Cl	REAL250004583314	0	32	-1.0	-48.66	298.44	3.91	-44.75
O=C(CCCC1=NN=N[N-]1)NCC1=C(F)C=CC=C1Cl	REAL250004583314	1	32	-1.0	-48.68	298.50	3.92	-44.76
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1F	REAL250004583315	0	32	-1.0	-46.74	291.07	3.57	-43.17
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1F	REAL250004583315	1	32	-1.0	-46.73	291.12	3.58	-43.15
CC(C1=CC=CC=C1F)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583316	0	38	-1.0	-53.46	315.65	5.95	-47.51
CC(C1=CC=CC=C1F)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583316	1	38	-1.0	-53.45	315.70	5.96	-47.49
CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583317	0	39	-1.0	-46.85	330.44	3.70	-43.15
CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583317	1	39	-1.0	-46.82	330.50	3.72	-43.10
COC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583318	0	35	-1.0	-54.67	294.72	4.27	-50.40
COC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583318	1	35	-1.0	-54.71	294.80	4.28	-50.43
CC(C)CCN(CCC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583319	0	49	-1.0	-46.33	378.37	7.59	-38.74
CC(C)CCN(CCC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583319	1	49	-1.0	-46.35	378.42	7.60	-38.75
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=C1	REAL250004583320	0	34	-1.0	-60.17	295.22	6.65	-53.52
CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=C1	REAL250004583320	1	34	-1.0	-60.01	295.31	6.66	-53.35
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004583321	0	31	-1.0	-39.85	281.36	3.48	-36.37
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004583321	1	31	-1.0	-39.86	281.30	3.48	-36.38
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004583322	0	41	-1.0	-46.82	312.61	5.94	-40.88
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004583322	1	41	-1.0	-46.86	312.67	5.95	-40.91
CC(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583323	0	34	-1.0	-38.40	275.56	5.73	-32.67
CC(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583323	1	34	-1.0	-38.24	275.67	5.75	-32.49
O=C(CCCC1=N[N-]N=N1)NCC1CC1(Cl)Cl	REAL250004583324	0	29	-1.0	-47.58	282.16	3.04	-44.54
O=C(CCCC1=NN=N[N-]1)NCC1CC1(Cl)Cl	REAL250004583324	1	29	-1.0	-47.53	282.22	3.06	-44.47
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004583325	0	39	-1.0	-48.40	316.32	5.41	-42.99
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004583325	1	39	-1.0	-48.39	316.38	5.42	-42.97
CCC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004583326	0	40	-1.0	-48.82	328.10	3.76	-45.06
CCC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004583326	1	40	-1.0	-48.87	328.16	3.77	-45.10
CC1=CC=CC=C1CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583327	0	42	-1.0	-47.68	339.08	8.08	-39.60
CC1=CC=CC=C1CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583327	1	42	-1.0	-47.67	339.14	8.10	-39.57
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583328	0	38	-1.0	-45.98	317.63	4.94	-41.04
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583328	1	38	-1.0	-45.97	317.68	4.95	-41.02
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583329	0	38	-1.0	-45.93	321.97	4.92	-41.01
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583329	1	38	-1.0	-45.94	322.03	4.94	-41.00
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583330	0	41	-1.0	-45.95	335.12	5.17	-40.78
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583330	1	41	-1.0	-45.95	335.17	5.19	-40.76
CCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583331	0	41	-1.0	-47.11	320.50	4.41	-42.70
CCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583331	1	41	-1.0	-47.14	320.55	4.43	-42.71
CC(C)(C)C1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004583332	0	47	-1.0	-46.90	344.06	6.11	-40.79
CC(C)(C)C1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004583332	1	47	-1.0	-46.89	344.11	6.13	-40.76
CC(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583333	0	41	-1.0	-45.78	339.31	5.41	-40.37
CC(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583333	1	41	-1.0	-45.79	339.36	5.42	-40.37
N#CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583334	0	33	-1.0	-49.24	299.95	3.86	-45.38
N#CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583334	1	33	-1.0	-49.29	300.00	3.88	-45.41
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004583335	0	36	-1.0	-49.00	317.39	4.71	-44.29
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004583335	1	36	-1.0	-49.01	317.45	4.72	-44.29
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004583336	0	41	-1.0	-47.05	334.99	5.52	-41.53
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004583336	1	41	-1.0	-47.08	335.04	5.53	-41.55
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004583337	0	33	-1.0	-47.13	294.00	1.73	-45.40
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004583337	1	33	-1.0	-47.17	294.06	1.73	-45.44
CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583338	0	41	-1.0	-48.66	337.65	7.18	-41.48
CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583338	1	41	-1.0	-48.67	337.71	7.19	-41.48
CCN(CC1=CC=CC=C1C)C(=O)CCCC1=N[N-]N=N1	REAL250004583339	0	41	-1.0	-47.92	331.71	7.67	-40.25
CCN(CC1=CC=CC=C1C)C(=O)CCCC1=NN=N[N-]1	REAL250004583339	1	41	-1.0	-47.92	331.77	7.68	-40.24
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583340	0	41	-1.0	-48.48	335.55	5.90	-42.58
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583340	1	41	-1.0	-48.44	335.61	5.92	-42.52
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL250004583341	0	35	-1.0	-47.83	307.44	4.48	-43.35
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL250004583341	1	35	-1.0	-47.89	307.50	4.49	-43.40
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583342	0	38	-1.0	-49.07	317.68	6.25	-42.82
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583342	1	38	-1.0	-49.08	317.74	6.27	-42.81
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004583343	0	36	-1.0	-46.60	288.25	2.73	-43.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004583343	1	36	-1.0	-46.62	288.31	2.74	-43.88
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)CO1	REAL250004583344	0	36	-1.0	-34.57	291.56	2.88	-31.69
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)CO1	REAL250004583344	1	36	-1.0	-34.56	291.63	2.88	-31.68
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1N1C=CN=C1	REAL250004583345	0	36	-1.0	-46.95	309.66	6.03	-40.92
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1N1C=CN=C1	REAL250004583345	1	36	-1.0	-46.99	309.72	6.04	-40.95
CN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583346	0	36	-1.0	-55.36	317.08	5.97	-49.39
CN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583346	1	36	-1.0	-55.31	317.14	5.99	-49.32
CC1=CC=C(C(C)N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583347	0	41	-1.0	-48.93	327.30	6.45	-42.48
CC1=CC=C(C(C)N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583347	1	41	-1.0	-48.91	327.35	6.46	-42.45
CN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583348	0	36	-1.0	-50.49	317.09	5.98	-44.51
CN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583348	1	36	-1.0	-50.47	317.15	6.00	-44.47
CC1=CC=CC=C1C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583349	0	41	-1.0	-47.17	323.35	6.52	-40.65
CC1=CC=CC=C1C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583349	1	41	-1.0	-47.21	323.41	6.54	-40.67
COC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583350	0	33	-1.0	-46.02	287.42	2.86	-43.16
COC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583350	1	33	-1.0	-45.99	287.48	2.87	-43.12
CCN(CC)C(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583351	0	44	-1.0	-50.32	359.83	3.43	-46.89
CCN(CC)C(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583351	1	44	-1.0	-50.37	359.89	3.45	-46.92
CC1=NNC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583352	0	35	-1.0	-53.09	304.63	3.42	-49.67
CC1=NNC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583352	1	35	-1.0	-52.83	304.73	3.45	-49.38
CC1=NNC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583353	0	32	-1.0	-38.48	290.85	0.32	-38.16
CC1=NNC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583353	1	32	-1.0	-38.44	290.92	0.32	-38.12
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004583354	0	36	-1.0	-46.49	284.98	2.76	-43.73
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004583354	1	36	-1.0	-46.50	285.04	2.77	-43.73
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004583355	0	36	-1.0	-34.76	292.60	3.02	-31.74
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004583355	1	36	-1.0	-34.75	292.66	3.03	-31.72
CC1=NNC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583356	0	38	-1.0	-50.20	322.66	2.05	-48.15
CC1=NNC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583356	1	38	-1.0	-50.23	322.71	2.07	-48.16
CC(CN1C=CC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583358	0	35	-1.0	-54.61	302.02	2.29	-52.32
CC(CN1C=CC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583358	1	35	-1.0	-54.58	301.96	2.28	-52.30
CC(CN1C=CC=N1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583359	0	35	-1.0	-41.15	312.62	2.10	-39.05
CC(CN1C=CC=N1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583359	1	35	-1.0	-41.20	312.55	2.07	-39.13
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL250004583360	0	38	-1.0	-47.73	324.83	3.10	-44.63
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL250004583360	1	38	-1.0	-47.71	324.88	3.12	-44.59
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004583361	0	36	-1.0	-45.93	293.64	2.04	-43.89
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004583361	1	36	-1.0	-45.90	293.70	2.05	-43.85
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCO1	REAL250004583362	0	36	-1.0	-35.75	304.23	1.85	-33.90
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCO1	REAL250004583362	1	36	-1.0	-35.72	304.30	1.86	-33.86
CCN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004583363	0	35	-1.0	-59.66	301.12	4.87	-54.79
CCN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004583363	1	35	-1.0	-59.47	301.21	4.89	-54.58
CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583364	0	32	-1.0	-39.61	287.40	1.78	-37.83
CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583364	1	32	-1.0	-39.59	287.33	1.77	-37.82
CCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004583365	0	41	-1.0	-46.34	314.77	5.04	-41.30
CCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004583365	1	41	-1.0	-46.32	314.82	5.05	-41.27
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC(F)=C1	REAL250004583366	0	36	-1.0	-49.07	315.39	3.16	-45.91
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC(F)=C1	REAL250004583366	1	36	-1.0	-49.09	315.45	3.18	-45.91
CC(C)(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583367	0	40	-1.0	-52.87	320.65	5.77	-47.10
CC(C)(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583367	1	40	-1.0	-52.64	320.72	5.79	-46.85
CC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583368	0	37	-1.0	-34.82	306.50	2.68	-32.14
CC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583368	1	37	-1.0	-34.77	306.56	2.69	-32.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1N1C=CC=N1	REAL250004583370	0	36	-1.0	-50.69	306.91	5.23	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1N1C=CC=N1	REAL250004583370	1	36	-1.0	-50.70	306.86	5.22	-45.48
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004583371	0	38	-1.0	-46.32	325.69	4.76	-41.56
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004583371	1	38	-1.0	-46.35	325.74	4.78	-41.57
CC(CC1=CC=CO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583372	0	35	-1.0	-48.93	301.59	3.26	-45.67
CC(CC1=CC=CO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583372	1	35	-1.0	-48.94	301.65	3.28	-45.66
CC(CC1=CC=CO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583373	0	35	-1.0	-38.44	311.97	3.10	-35.34
CC(CC1=CC=CO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583373	1	35	-1.0	-38.40	312.04	3.12	-35.28
NC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004583374	0	40	-1.0	-47.84	319.36	-2.05	-49.89
NC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004583374	1	40	-1.0	-47.78	319.42	-2.03	-49.81
CN(C)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583375	0	37	-1.0	-46.28	306.39	3.22	-43.06
CN(C)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583375	1	37	-1.0	-46.35	306.45	3.23	-43.12
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583376	0	38	-1.0	-47.00	295.84	4.85	-42.15
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583376	1	38	-1.0	-47.00	295.90	4.86	-42.14
CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004583377	0	38	-1.0	-35.01	303.87	5.10	-29.91
CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004583377	1	38	-1.0	-34.99	303.94	5.11	-29.88
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(N)=O	REAL250004583378	0	36	-1.0	-49.99	299.41	1.01	-48.98
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(N)=O	REAL250004583378	1	36	-1.0	-49.98	299.46	1.03	-48.95
CC(CNC(=O)CCCC1=N[N-]N=N1)N1CCOCC1	REAL250004583379	0	41	-1.0	-46.47	320.49	-0.28	-46.75
CC(CNC(=O)CCCC1=NN=N[N-]1)N1CCOCC1	REAL250004583379	1	41	-1.0	-46.48	320.55	-0.27	-46.75
CC(C)N(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004583380	0	38	-1.0	-46.52	301.86	5.39	-41.13
CC(C)N(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004583380	1	38	-1.0	-46.51	301.91	5.40	-41.11
CC(C)N(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583381	0	38	-1.0	-35.26	302.66	6.20	-29.06
CC(C)N(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583381	1	38	-1.0	-35.22	302.73	6.20	-29.02
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL250004583382	0	45	-1.0	-46.51	329.94	6.34	-40.17
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL250004583382	1	45	-1.0	-46.53	329.99	6.36	-40.17
CCOC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583383	0	35	-1.0	-46.65	301.34	1.14	-45.51
CCOC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583383	1	35	-1.0	-46.65	301.28	1.13	-45.52
CCCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583384	0	39	-1.0	-52.22	326.12	4.37	-47.85
CCCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583384	1	39	-1.0	-52.22	326.17	4.39	-47.83
O=C(CCCC1=N[N-]N=N1)NCCC1CCCCC1	REAL250004583385	0	41	-1.0	-46.52	321.36	4.41	-42.11
O=C(CCCC1=NN=N[N-]1)NCCC1CCCCC1	REAL250004583385	1	41	-1.0	-46.53	321.42	4.43	-42.10
COC1=C(C)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004583386	0	39	-1.0	-47.32	320.62	4.36	-42.96
COC1=C(C)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004583386	1	39	-1.0	-47.38	320.68	4.37	-43.01
CC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583387	0	38	-1.0	-46.16	297.83	4.18	-41.98
CC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583387	1	38	-1.0	-46.15	297.89	4.20	-41.95
CC1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004583388	0	38	-1.0	-35.03	312.86	3.57	-31.46
CC1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004583388	1	38	-1.0	-35.02	312.92	3.59	-31.43
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583389	0	39	-1.0	-48.11	327.73	3.30	-44.81
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583389	1	39	-1.0	-48.15	327.79	3.32	-44.83
CC1COCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583390	0	36	-1.0	-52.16	284.93	4.26	-47.90
CC1COCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583390	1	36	-1.0	-51.95	285.01	4.27	-47.68
CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583391	0	33	-1.0	-34.69	270.19	2.05	-32.64
CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583391	1	33	-1.0	-34.66	270.25	2.08	-32.58
O=C(NCC1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583392	0	38	-1.0	-52.64	308.66	6.05	-46.59
O=C(NCC1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583392	1	38	-1.0	-52.47	308.75	6.08	-46.39
O=C(NCC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583393	0	35	-1.0	-34.81	294.88	2.94	-31.87
O=C(NCC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583393	1	35	-1.0	-34.79	294.94	2.95	-31.84
COC1=CC=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583394	0	33	-1.0	-48.74	294.32	1.15	-47.59
COC1=CC=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583394	1	33	-1.0	-48.73	294.38	1.16	-47.57
NC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583395	0	36	-1.0	-55.86	288.16	1.50	-54.36
NC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583395	1	36	-1.0	-55.88	288.22	1.52	-54.36
CC1(C)C2CCC1(C)C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004583396	0	45	-1.0	-46.70	333.55	5.40	-41.30
CC1(C)C2CCC1(C)C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004583396	1	45	-1.0	-46.72	333.61	5.41	-41.31
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=C(F)C=C1	REAL250004583397	0	36	-1.0	-47.98	315.39	3.15	-44.83
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=C(F)C=C1	REAL250004583397	1	36	-1.0	-47.95	315.45	3.17	-44.78
COCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583398	0	39	-1.0	-47.37	334.15	3.21	-44.16
COCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583398	1	39	-1.0	-47.40	334.20	3.23	-44.17
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004583399	0	32	-1.0	-44.50	305.25	4.01	-40.49
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004583399	1	32	-1.0	-44.51	305.31	4.02	-40.49
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN=C1N1C=CC=N1	REAL250004583400	0	35	-1.0	-48.93	305.18	4.47	-44.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=CN=C1N1C=CC=N1	REAL250004583400	1	35	-1.0	-48.94	305.13	4.46	-44.48
CC1=NOC(C)=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583401	0	37	-1.0	-47.17	304.45	4.20	-42.97
CC1=NOC(C)=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583401	1	37	-1.0	-47.18	304.50	4.22	-42.96
O=C(CCCC1=N[N-]N=N1)NC1CCCCNC1=O	REAL250004583402	0	36	-1.0	-57.07	285.79	0.77	-56.30
O=C(CCCC1=NN=N[N-]1)NC1CCCCNC1=O	REAL250004583402	1	36	-1.0	-57.12	285.85	0.79	-56.33
CC1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004583403	0	36	-1.0	-53.68	306.69	3.97	-49.71
CC1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004583403	1	36	-1.0	-53.69	306.75	3.98	-49.71
O=C(NCCN1C=CN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583405	0	35	-1.0	-58.94	305.54	5.98	-52.96
O=C(NCCN1C=CN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583405	1	35	-1.0	-59.17	305.44	5.96	-53.21
O=C(NCCN1C=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583406	0	32	-1.0	-39.95	291.65	2.85	-37.10
O=C(NCCN1C=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583406	1	32	-1.0	-39.95	291.72	2.86	-37.09
CCCCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583407	0	38	-1.0	-46.90	304.20	5.42	-41.48
CCCCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583407	1	38	-1.0	-46.90	304.26	5.43	-41.47
CCCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583408	0	38	-1.0	-35.77	310.07	6.26	-29.51
CCCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583408	1	38	-1.0	-35.75	310.13	6.28	-29.47
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCCC1	REAL250004583409	0	44	-1.0	-46.35	342.86	5.20	-41.15
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCCC1	REAL250004583409	1	44	-1.0	-46.36	342.92	5.21	-41.15
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004583410	0	35	-1.0	-50.33	303.25	3.18	-47.15
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004583410	1	35	-1.0	-50.33	303.31	3.20	-47.13
CC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004583411	0	35	-1.0	-37.79	313.84	2.98	-34.81
CC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004583411	1	35	-1.0	-37.76	313.91	2.99	-34.77
COC(=O)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583412	0	43	-1.0	-52.20	360.63	4.38	-47.82
COC(=O)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583412	1	43	-1.0	-52.23	360.69	4.39	-47.84
CCCC(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583413	0	40	-1.0	-38.40	317.50	7.57	-30.83
CCCC(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583413	1	40	-1.0	-38.29	317.61	7.59	-30.70
CCCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583414	0	37	-1.0	-35.92	303.20	5.34	-30.58
CCCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583414	1	37	-1.0	-35.88	303.27	5.35	-30.53
O=C(NCC1CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583415	0	36	-1.0	-54.17	299.71	3.52	-50.65
O=C(NCC1CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583415	1	36	-1.0	-54.03	299.78	3.54	-50.49
O=C(NCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583416	0	33	-1.0	-36.68	285.56	0.43	-36.25
O=C(NCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583416	1	33	-1.0	-36.72	285.62	0.44	-36.28
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583417	0	35	-1.0	-45.74	312.68	4.15	-41.59
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583417	1	35	-1.0	-45.73	312.73	4.16	-41.57
NC(=O)CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583418	0	36	-1.0	-53.86	309.27	1.02	-52.84
NC(=O)CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583418	1	36	-1.0	-53.89	309.32	1.04	-52.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NN=CO2)C=C1	REAL250004583419	0	34	-1.0	-51.84	304.18	-0.74	-52.58
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NN=CO2)C=C1	REAL250004583419	1	34	-1.0	-51.82	304.24	-0.73	-52.55
CN(CC(N)=O)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583420	0	32	-1.0	-46.62	276.10	1.63	-44.99
CN(CC(N)=O)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583420	1	32	-1.0	-46.47	276.21	1.66	-44.81
CN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583421	0	29	-1.0	-43.57	261.61	-0.61	-44.18
CN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583421	1	29	-1.0	-43.57	261.67	-0.60	-44.17
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004583424	0	44	-1.0	-52.67	346.57	3.73	-48.94
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004583424	1	44	-1.0	-52.67	346.63	3.74	-48.93
CC(CN1C=CN=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583428	0	35	-1.0	-54.00	300.99	3.93	-50.07
CC(CN1C=CN=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583428	1	35	-1.0	-54.04	301.05	3.94	-50.10
CC(CN1C=CN=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583429	0	35	-1.0	-42.91	311.56	3.70	-39.21
CC(CN1C=CN=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583429	1	35	-1.0	-42.86	311.65	3.73	-39.13
CC1=CC(N(C)C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583430	0	40	-1.0	-49.64	323.30	4.64	-45.00
CC1=CC(N(C)C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583430	1	40	-1.0	-49.65	323.36	4.66	-44.99
CC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004583431	0	37	-1.0	-49.84	307.13	3.73	-46.11
CC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004583431	1	37	-1.0	-49.89	307.19	3.74	-46.15
CC(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583432	0	41	-1.0	-47.79	328.44	0.05	-47.74
CC(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583432	1	41	-1.0	-47.80	328.50	0.07	-47.73
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC=C1	REAL250004583433	0	36	-1.0	-50.12	303.69	6.00	-44.12
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC=C1	REAL250004583433	1	36	-1.0	-50.13	303.75	6.01	-44.12
NC(=O)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583434	0	35	-1.0	-56.12	303.10	0.95	-55.17
NC(=O)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583434	1	35	-1.0	-55.91	303.17	0.97	-54.94
NC(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583435	0	32	-1.0	-42.02	288.94	-2.14	-44.16
NC(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583435	1	32	-1.0	-42.04	289.01	-2.12	-44.16
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2)CC1	REAL250004583436	0	42	-1.0	-47.67	334.30	7.08	-40.59
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2)CC1	REAL250004583436	1	42	-1.0	-47.70	334.36	7.09	-40.61
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=C1	REAL250004583437	0	29	-1.0	-45.54	269.07	2.41	-43.13
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=C1	REAL250004583437	1	29	-1.0	-45.58	269.12	2.43	-43.15
O=C(NCC1=CSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583438	0	29	-1.0	-35.01	279.66	2.21	-32.80
O=C(NCC1=CSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583438	1	29	-1.0	-35.01	279.72	2.21	-32.80
CCCCN(CCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004583439	0	43	-1.0	-46.55	343.23	6.58	-39.97
CCCCN(CCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004583439	1	43	-1.0	-46.53	343.29	6.60	-39.93
CCCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004583440	0	38	-1.0	-56.10	318.52	1.51	-54.59
CCCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004583440	1	38	-1.0	-56.14	318.57	1.52	-54.62
CCC(CC)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004583441	0	43	-1.0	-47.22	329.43	6.09	-41.13
CCC(CC)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004583441	1	43	-1.0	-47.22	329.49	6.11	-41.11
COC(=O)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583442	0	37	-1.0	-52.79	314.23	4.16	-48.63
COC(=O)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583442	1	37	-1.0	-52.79	314.28	4.18	-48.61
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=N2)=C1	REAL250004583443	0	36	-1.0	-59.31	311.67	4.57	-54.74
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=N2)=C1	REAL250004583443	1	36	-1.0	-59.29	311.62	4.55	-54.74
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC=C2C1	REAL250004583444	0	37	-1.0	-50.40	310.53	3.45	-46.95
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC=C2C1	REAL250004583444	1	37	-1.0	-50.37	310.58	3.46	-46.91
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)(=O)CC1	REAL250004583445	0	35	-1.0	-53.60	300.27	-0.81	-54.41
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)(=O)CC1	REAL250004583445	1	35	-1.0	-53.60	300.32	-0.79	-54.39
O=C(NCC1=NNC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583446	0	32	-1.0	-54.52	283.31	2.77	-51.75
O=C(NCC1=NNC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583446	1	32	-1.0	-54.32	283.41	2.77	-51.55
O=C(NCC1=NNC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583447	0	29	-1.0	-39.04	269.58	-0.35	-39.39
O=C(NCC1=NNC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583447	1	29	-1.0	-39.07	269.65	-0.35	-39.42
CC(C)OC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583448	0	39	-1.0	-47.64	322.40	4.37	-43.27
CC(C)OC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583448	1	39	-1.0	-47.66	322.46	4.39	-43.27
NC(=O)NCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583450	0	41	-1.0	-54.32	329.49	-0.14	-54.46
NC(=O)NCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583450	1	41	-1.0	-54.36	329.55	-0.13	-54.49
CC1=CC=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004583451	0	34	-1.0	-59.91	295.13	6.61	-53.30
CC1=CC=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004583451	1	34	-1.0	-59.77	295.23	6.64	-53.13
CC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004583452	0	31	-1.0	-39.59	281.34	3.51	-36.08
CC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004583452	1	31	-1.0	-39.58	281.41	3.52	-36.06
CC1=CC=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583453	0	31	-1.0	-39.93	277.74	3.63	-36.30
CC1=CC=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583453	1	31	-1.0	-39.98	277.68	3.63	-36.35
CC12CC(CC(C)(C)C1)N(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004583454	0	45	-1.0	-47.47	337.35	6.66	-40.81
CC12CC(CC(C)(C)C1)N(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004583454	1	45	-1.0	-47.51	337.41	6.68	-40.83
CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004583455	0	34	-1.0	-61.05	295.20	6.55	-54.50
CC1=CC=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004583455	1	34	-1.0	-60.49	295.48	6.59	-53.90
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004583456	0	31	-1.0	-40.36	281.45	3.44	-36.92
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004583456	1	31	-1.0	-40.31	281.52	3.44	-36.87
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CC=C2C=C1	REAL250004583458	0	34	-1.0	-58.26	295.61	5.21	-53.05
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CC=C2C=C1	REAL250004583458	1	34	-1.0	-58.24	295.55	5.20	-53.04
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NC=N1	REAL250004583459	0	34	-1.0	-51.27	297.89	3.68	-47.59
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NC=N1	REAL250004583459	1	34	-1.0	-51.28	297.84	3.66	-47.62
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583460	0	34	-1.0	-41.91	308.50	3.47	-38.44
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583460	1	34	-1.0	-41.89	308.43	3.47	-38.42
CC(C)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004583461	0	38	-1.0	-56.91	320.90	0.40	-56.51
CC(C)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004583461	1	38	-1.0	-56.92	320.96	0.41	-56.51
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CN=C2C=C1	REAL250004583462	0	34	-1.0	-50.48	294.56	3.75	-46.73
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CN=C2C=C1	REAL250004583462	1	34	-1.0	-50.48	294.50	3.73	-46.75
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004583463	0	34	-1.0	-49.46	293.51	3.18	-46.28
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004583463	1	34	-1.0	-49.46	293.57	3.20	-46.26
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=CN1C	REAL250004583464	0	34	-1.0	-43.14	304.58	2.99	-40.15
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=CN1C	REAL250004583464	1	34	-1.0	-43.11	304.65	3.00	-40.11
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=CC=C21	REAL250004583465	0	36	-1.0	-49.84	302.04	4.72	-45.12
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=CC=C21	REAL250004583465	1	36	-1.0	-49.87	302.09	4.74	-45.13
COC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583466	0	39	-1.0	-50.15	330.09	3.55	-46.60
COC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583466	1	39	-1.0	-50.23	330.15	3.56	-46.67
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2CCCC2=C1	REAL250004583467	0	39	-1.0	-46.24	324.63	5.39	-40.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2CCCC2=C1	REAL250004583467	1	39	-1.0	-46.30	324.68	5.40	-40.90
COCC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583468	0	39	-1.0	-47.66	334.15	3.20	-44.46
COCC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583468	1	39	-1.0	-47.66	334.20	3.22	-44.44
CC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004583469	0	35	-1.0	-49.43	295.24	2.99	-46.44
CC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004583469	1	35	-1.0	-49.40	295.30	3.00	-46.40
CC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL250004583470	0	35	-1.0	-36.59	301.76	2.82	-33.77
CC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL250004583470	1	35	-1.0	-36.56	301.83	2.83	-33.73
CC(CNC(=O)CCCC1=NN=N[N-]1)CN1C=CC=N1	REAL250004583471	0	38	-1.0	-48.97	321.00	3.10	-45.87
CC(CNC(=O)CCCC1=N[N-]N=N1)CN1C=CC=N1	REAL250004583471	1	38	-1.0	-48.98	320.94	3.08	-45.90
CC1=NOC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583472	0	38	-1.0	-54.66	317.30	5.25	-49.41
CC1=NOC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583472	1	38	-1.0	-54.66	317.36	5.27	-49.39
CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583473	0	39	-1.0	-47.50	330.44	3.70	-43.80
CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583473	1	39	-1.0	-47.56	330.50	3.72	-43.84
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2O1	REAL250004583474	0	35	-1.0	-47.90	306.97	3.99	-43.91
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2O1	REAL250004583474	1	35	-1.0	-47.94	307.02	4.01	-43.93
COCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583475	0	38	-1.0	-54.82	320.59	3.96	-50.86
COCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583475	1	38	-1.0	-54.62	320.66	3.98	-50.64
COCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583476	0	35	-1.0	-36.37	306.44	0.87	-35.50
COCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583476	1	35	-1.0	-36.33	306.50	0.88	-35.45
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OC(F)F)=C1	REAL250004583477	0	33	-1.0	-51.87	292.52	2.93	-48.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OC(F)F)=C1	REAL250004583477	1	33	-1.0	-51.87	292.57	2.95	-48.92
CCN1C=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583478	0	34	-1.0	-51.44	296.13	3.42	-48.02
CCN1C=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583478	1	34	-1.0	-51.45	296.19	3.44	-48.01
CCN1C=NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583479	0	34	-1.0	-41.60	306.72	3.22	-38.38
CCN1C=NN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583479	1	34	-1.0	-41.55	306.79	3.22	-38.33
O=C(CCCC1=N[N-]N=N1)NCCSC(F)(F)F	REAL250004583480	0	29	-1.0	-46.85	283.64	2.27	-44.58
O=C(CCCC1=NN=N[N-]1)NCCSC(F)(F)F	REAL250004583480	1	29	-1.0	-46.82	283.70	2.28	-44.54
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CS1	REAL250004583481	0	28	-1.0	-47.05	263.87	0.61	-46.44
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CS1	REAL250004583481	1	28	-1.0	-47.09	263.93	0.63	-46.46
O=C(NCC1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583482	0	28	-1.0	-36.79	274.46	0.40	-36.39
O=C(NCC1=NC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583482	1	28	-1.0	-36.79	274.53	0.41	-36.38
O=C(CCCC1=N[N-]N=N1)NCCCCN1CCOCC1	REAL250004583483	1	44	-1.0	-48.38	350.51	0.50	-47.88
O=C(CCCC1=NN=N[N-]1)NCCCCN1CCOCC1	REAL250004583483	1	44	-1.0	-48.43	350.56	0.52	-47.91
NC(=O)C1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583484	0	33	-1.0	-58.14	292.61	0.26	-57.88
NC(=O)C1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583484	1	33	-1.0	-58.17	292.66	0.28	-57.89
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CSC=C1	REAL250004583486	0	36	-1.0	-48.31	311.32	5.72	-42.59
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CSC=C1	REAL250004583486	1	36	-1.0	-48.34	311.38	5.74	-42.60
CC(C)(C)C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004583487	0	35	-1.0	-46.13	294.94	1.11	-45.02
CC(C)(C)C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004583487	1	35	-1.0	-46.13	294.99	1.12	-45.01
COCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583489	0	36	-1.0	-47.75	303.12	3.38	-44.37
COCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583489	1	36	-1.0	-47.74	303.18	3.40	-44.34
CC1CCCCC1OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583490	0	45	-1.0	-46.55	354.25	4.01	-42.54
CC1CCCCC1OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583490	1	45	-1.0	-46.50	354.31	4.02	-42.48
NC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583491	0	33	-1.0	-64.80	292.31	-1.78	-66.58
NC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583491	1	33	-1.0	-64.80	292.25	-1.80	-66.60
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC1)OCCO2	REAL250004583492	0	41	-1.0	-48.37	326.92	2.03	-46.34
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC1)OCCO2	REAL250004583492	1	41	-1.0	-48.37	326.98	2.04	-46.33
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583493	0	34	-1.0	-47.37	295.53	2.30	-45.07
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583493	1	34	-1.0	-47.41	295.59	2.32	-45.09
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583494	0	34	-1.0	-37.25	306.12	2.10	-35.15
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583494	1	34	-1.0	-37.20	306.19	2.10	-35.10
NC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583495	0	39	-1.0	-50.61	311.27	0.99	-49.62
NC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583495	1	39	-1.0	-50.61	311.33	1.01	-49.60
N#CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583496	0	34	-1.0	-57.63	303.71	3.37	-54.26
N#CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583496	1	34	-1.0	-57.65	303.77	3.38	-54.27
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004583498	0	35	-1.0	-56.63	290.17	-1.28	-57.91
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004583498	1	35	-1.0	-56.69	290.22	-1.27	-57.96
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004583499	0	35	-1.0	-41.60	300.76	-1.49	-43.09
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004583499	1	35	-1.0	-41.54	300.83	-1.48	-43.02
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C2CCCCN12	REAL250004583500	0	38	-1.0	-51.40	316.52	3.45	-47.95
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C2CCCCN12	REAL250004583500	1	38	-1.0	-51.35	316.57	3.47	-47.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C(F)=C1	REAL250004583501	0	29	-1.0	-45.39	275.59	3.93	-41.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C(F)=C1	REAL250004583501	1	29	-1.0	-45.41	275.65	3.94	-41.47
COCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583502	0	40	-1.0	-56.36	325.23	2.68	-53.68
COCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583502	1	40	-1.0	-56.33	325.29	2.70	-53.63
CN(C)C(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004583503	0	35	-1.0	-57.22	296.15	0.71	-56.51
CN(C)C(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004583503	1	35	-1.0	-57.30	296.20	0.73	-56.57
CN(C)C(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583504	0	35	-1.0	-42.07	306.74	0.51	-41.56
CN(C)C(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583504	1	35	-1.0	-42.04	306.81	0.52	-41.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CN=C2)=C1	REAL250004583505	0	36	-1.0	-49.84	309.23	5.73	-44.11
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CN=C2)=C1	REAL250004583505	1	36	-1.0	-49.84	309.29	5.75	-44.09
CCN(CC(C)C#N)C(=O)CCCC1=N[N-]N=N1	REAL250004583506	0	35	-1.0	-49.78	292.71	4.44	-45.34
CCN(CC(C)C#N)C(=O)CCCC1=NN=N[N-]1	REAL250004583506	1	35	-1.0	-49.81	292.77	4.46	-45.35
CCN(CC(C)C#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583507	0	38	-1.0	-52.62	310.74	6.88	-45.74
CCN(CC(C)C#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583507	1	38	-1.0	-53.62	310.40	6.97	-46.65
CCN(CC(C)C#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583508	0	35	-1.0	-37.56	299.08	5.18	-32.38
CCN(CC(C)C#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583508	1	35	-1.0	-37.54	299.15	5.19	-32.35
CCOCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583509	0	35	-1.0	-52.89	299.38	3.41	-49.48
CCOCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583509	1	35	-1.0	-52.63	299.44	3.43	-49.20
CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583510	0	32	-1.0	-36.64	285.22	0.31	-36.33
CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583510	1	32	-1.0	-36.60	285.29	0.32	-36.28
COC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583511	0	32	-1.0	-46.79	279.48	0.21	-46.58
COC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583511	1	32	-1.0	-46.76	279.43	0.19	-46.57
COC1=NC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583512	0	32	-1.0	-37.01	289.30	0.01	-37.00
COC1=NC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583512	1	32	-1.0	-37.06	289.23	-0.01	-37.07
CC(C)OC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583513	0	38	-1.0	-46.52	320.69	2.07	-44.45
CC(C)OC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583513	1	38	-1.0	-46.49	320.63	2.06	-44.43
NS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004583514	0	30	-1.0	-59.61	275.90	-4.54	-64.15
NS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004583514	1	30	-1.0	-59.56	275.95	-4.53	-64.09
NS(=O)(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583515	0	30	-1.0	-45.32	286.64	-4.76	-50.08
NS(=O)(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583515	1	30	-1.0	-45.32	286.70	-4.75	-50.07
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583516	0	36	-1.0	-48.14	288.82	3.55	-44.59
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583516	1	36	-1.0	-48.19	288.88	3.57	-44.62
COCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583517	0	36	-1.0	-35.52	300.75	3.83	-31.69
COCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583517	1	36	-1.0	-35.54	300.82	3.83	-31.71
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1[N+](=O)[O-]	REAL250004583518	0	34	-1.0	-53.63	300.80	4.24	-49.39
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1[N+](=O)[O-]	REAL250004583518	1	34	-1.0	-53.63	300.86	4.26	-49.37
CCCCCN(CCCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004583519	0	49	-1.0	-46.61	386.22	8.14	-38.47
CCCCCN(CCCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004583519	1	49	-1.0	-46.65	386.28	8.16	-38.49
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583520	0	39	-1.0	-48.41	322.41	4.21	-44.20
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583520	1	39	-1.0	-48.45	322.47	4.23	-44.22
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCSCC1	REAL250004583521	0	33	-1.0	-50.49	277.66	5.94	-44.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCSCC1	REAL250004583521	1	33	-1.0	-49.04	277.64	5.90	-43.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSCC1	REAL250004583522	0	30	-1.0	-34.40	265.36	3.67	-30.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSCC1	REAL250004583522	1	30	-1.0	-34.32	265.43	3.67	-30.65
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004583523	0	33	-1.0	-53.69	289.00	2.72	-50.97
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004583523	1	33	-1.0	-53.70	289.06	2.73	-50.97
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583524	0	32	-1.0	-45.90	291.19	3.37	-42.53
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583524	1	32	-1.0	-45.92	291.25	3.38	-42.54
CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583525	0	41	-1.0	-48.84	338.64	7.29	-41.55
CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583525	1	41	-1.0	-48.84	338.69	7.30	-41.54
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)S1	REAL250004583526	0	32	-1.0	-48.24	307.85	3.96	-44.28
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)S1	REAL250004583526	1	32	-1.0	-48.29	307.91	3.97	-44.32
O=C(CCCC1=N[N-]N=N1)NCCCOCC(F)(F)F	REAL250004583527	0	35	-1.0	-48.21	315.77	1.72	-46.49
O=C(CCCC1=NN=N[N-]1)NCCCOCC(F)(F)F	REAL250004583527	1	35	-1.0	-48.17	315.83	1.74	-46.43
O=C(CCCC1=N[N-]N=N1)N1CCCC1C(=O)NC1CC1	REAL250004583528	0	40	-1.0	-58.45	329.46	4.00	-54.45
O=C(CCCC1=NN=N[N-]1)N1CCCC1C(=O)NC1CC1	REAL250004583528	1	40	-1.0	-58.51	329.52	4.02	-54.49
COCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583529	0	36	-1.0	-52.22	310.49	1.02	-51.20
COCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583529	1	36	-1.0	-52.17	310.43	1.01	-51.16
CCC(CC)N(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004583530	0	44	-1.0	-45.10	334.46	5.84	-39.26
CCC(CC)N(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004583530	1	44	-1.0	-45.14	334.51	5.86	-39.28
CCOC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583531	0	36	-1.0	-45.73	310.08	3.77	-41.96
CCOC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583531	1	36	-1.0	-45.77	310.14	3.79	-41.98
CC(C1=CC=CS1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583532	0	35	-1.0	-46.96	297.89	4.96	-42.00
CC(C1=CC=CS1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583532	1	35	-1.0	-46.97	297.95	4.97	-42.00
O=C(CCCC1=N[N-]N=N1)N1CCOC2CCCCC21	REAL250004583533	0	40	-1.0	-46.22	304.45	3.63	-42.59
O=C(CCCC1=NN=N[N-]1)N1CCOC2CCCCC21	REAL250004583533	1	40	-1.0	-46.25	304.51	3.65	-42.60
CC1=CC=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)O1	REAL250004583534	0	39	-1.0	-48.59	322.11	5.98	-42.61
CC1=CC=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)O1	REAL250004583534	1	39	-1.0	-48.58	322.17	6.00	-42.58
CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583535	0	35	-1.0	-52.24	303.46	2.05	-50.19
CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583535	1	35	-1.0	-52.25	303.40	2.03	-50.22
CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583536	0	35	-1.0	-39.89	314.06	1.84	-38.05
CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583536	1	35	-1.0	-39.95	313.99	1.82	-38.13
CCCCCCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004583537	0	44	-1.0	-48.83	352.50	3.38	-45.45
CCCCCCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004583537	1	44	-1.0	-48.86	352.56	3.40	-45.46
CCCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583538	0	37	-1.0	-53.30	306.67	5.90	-47.40
CCCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583538	1	37	-1.0	-53.10	306.74	5.92	-47.18
CCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583539	0	34	-1.0	-35.33	292.52	2.80	-32.53
CCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583539	1	34	-1.0	-35.32	292.59	2.82	-32.50
CC(=O)NC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583540	0	39	-1.0	-54.16	316.54	1.96	-52.20
CC(=O)NC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583540	1	39	-1.0	-54.18	316.59	1.97	-52.21
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCSC1	REAL250004583541	0	30	-1.0	-49.19	265.15	5.16	-44.03
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCSC1	REAL250004583541	1	30	-1.0	-48.95	265.23	5.17	-43.78
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSC1	REAL250004583542	0	27	-1.0	-35.28	249.01	2.83	-32.45
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSC1	REAL250004583542	1	27	-1.0	-35.27	249.08	2.83	-32.44
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NC=CN=C2C=C1	REAL250004583543	0	33	-1.0	-51.00	289.45	1.81	-49.19
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NC=CN=C2C=C1	REAL250004583543	1	33	-1.0	-50.93	289.40	1.80	-49.13
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC(F)(F)F	REAL250004583544	0	32	-1.0	-46.52	297.46	-0.58	-47.10
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC(F)(F)F	REAL250004583544	1	32	-1.0	-46.55	297.52	-0.57	-47.12
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004583545	0	38	-1.0	-48.15	307.39	6.76	-41.39
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004583545	1	38	-1.0	-48.11	307.44	6.78	-41.33
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC(F)=CC=C21	REAL250004583546	0	36	-1.0	-48.61	296.44	6.13	-42.48
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC(F)=CC=C21	REAL250004583546	1	36	-1.0	-48.66	296.50	6.15	-42.51
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004583547	0	39	-1.0	-49.32	306.95	6.52	-42.80
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004583547	1	39	-1.0	-49.33	307.01	6.53	-42.80
CCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL250004583548	0	38	-1.0	-54.16	324.66	3.84	-50.32
CCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL250004583548	1	38	-1.0	-54.16	324.72	3.85	-50.31
O=C(CCCC1=N[N-]N=N1)NCCC1=C(F)C=CC=C1F	REAL250004583549	0	35	-1.0	-49.52	311.22	4.30	-45.22
O=C(CCCC1=NN=N[N-]1)NCCC1=C(F)C=CC=C1F	REAL250004583549	1	35	-1.0	-49.52	311.28	4.32	-45.20
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004583550	0	30	-1.0	-48.81	271.19	-3.58	-52.39
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004583550	1	30	-1.0	-48.82	271.25	-3.57	-52.39
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004583551	0	30	-1.0	-39.42	281.78	-3.79	-43.21
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004583551	1	30	-1.0	-39.42	281.85	-3.79	-43.21
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004583552	0	31	-1.0	-47.82	285.65	1.17	-46.65
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004583552	1	31	-1.0	-47.81	285.71	1.19	-46.62
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2C=CC=CN21	REAL250004583553	0	31	-1.0	-64.18	276.73	6.33	-57.85
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2C=CC=CN21	REAL250004583553	1	31	-1.0	-64.16	276.67	6.32	-57.84
CCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583554	0	35	-1.0	-53.87	297.34	1.32	-52.55
CCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583554	1	35	-1.0	-53.87	297.40	1.33	-52.54
CCNC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583555	0	35	-1.0	-43.42	305.02	1.71	-41.71
CCNC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583555	1	35	-1.0	-43.41	305.10	1.72	-41.69
CCOC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583556	0	34	-1.0	-49.19	299.12	4.39	-44.80
CCOC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583556	1	34	-1.0	-49.01	299.18	4.41	-44.60
CCOC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583557	0	31	-1.0	-37.20	284.96	1.29	-35.91
CCOC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583557	1	31	-1.0	-37.17	285.03	1.30	-35.87
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1	REAL250004583558	0	32	-1.0	-52.88	278.73	4.23	-48.65
CC1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1	REAL250004583558	1	32	-1.0	-52.72	278.81	4.25	-48.47
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004583559	0	29	-1.0	-38.23	264.58	1.14	-37.09
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004583559	1	29	-1.0	-38.17	264.64	1.16	-37.01
O=C(NC1=NN=CS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583560	0	27	-1.0	-61.75	259.28	3.82	-57.93
O=C(NC1=NN=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583560	1	27	-1.0	-61.59	259.77	3.80	-57.79
O=C(NC1=NN=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583561	1	24	-1.0	-40.37	245.54	0.68	-39.69
O=C(NC1=NN=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583561	1	24	-1.0	-40.31	245.61	0.69	-39.62
CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583562	0	28	-1.0	-45.39	259.27	2.10	-43.29
CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583562	1	28	-1.0	-45.41	259.33	2.12	-43.29
CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004583563	0	28	-1.0	-35.37	269.83	1.90	-33.47
CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004583563	1	28	-1.0	-35.33	269.90	1.91	-33.42
CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583564	0	28	-1.0	-52.51	261.49	2.75	-49.76
CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583564	1	28	-1.0	-52.47	261.44	2.74	-49.73
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004583565	0	28	-1.0	-38.55	272.07	2.54	-36.01
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004583565	1	28	-1.0	-38.56	272.00	2.54	-36.02
CC1=NN(C)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004583566	0	35	-1.0	-54.94	299.74	5.51	-49.43
CC1=NN(C)C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004583566	1	35	-1.0	-54.81	299.84	5.53	-49.28
CC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004583567	0	32	-1.0	-36.87	285.96	2.39	-34.48
CC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004583567	1	32	-1.0	-36.86	286.02	2.40	-34.46
CC1CC1C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004583568	0	39	-1.0	-46.55	331.95	4.69	-41.86
CC1CC1C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004583568	1	39	-1.0	-46.59	332.01	4.70	-41.89
CCOCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583569	0	38	-1.0	-48.45	317.70	2.04	-46.41
CCOCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583569	1	38	-1.0	-48.46	317.75	2.06	-46.40
CCOCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583570	0	38	-1.0	-36.28	328.29	1.84	-34.44
CCOCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583570	1	38	-1.0	-36.25	328.36	1.85	-34.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)N=C1	REAL250004583571	0	31	-1.0	-47.04	290.85	2.13	-44.91
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)N=C1	REAL250004583571	1	31	-1.0	-47.00	290.79	2.12	-44.88
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2N=CC=N2)N=C1	REAL250004583572	0	34	-1.0	-53.74	302.70	2.39	-51.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2N=CC=N2)N=C1	REAL250004583572	1	34	-1.0	-53.75	302.64	2.37	-51.38
CNC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583574	0	36	-1.0	-64.93	314.25	-0.30	-65.23
CNC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583574	1	36	-1.0	-64.90	314.20	-0.32	-65.22
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCCC1	REAL250004583575	0	45	-1.0	-49.07	336.98	7.11	-41.96
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCCC1	REAL250004583575	1	45	-1.0	-49.10	337.04	7.13	-41.97
CN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583576	0	35	-1.0	-54.95	289.88	6.65	-48.30
CN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583576	1	35	-1.0	-53.72	289.86	6.71	-47.01
CN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583577	0	32	-1.0	-35.60	276.63	4.55	-31.05
CN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583577	1	32	-1.0	-35.57	276.70	4.56	-31.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CN=CO2)C=C1	REAL250004583578	0	35	-1.0	-50.82	307.90	1.77	-49.05
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CN=CO2)C=C1	REAL250004583578	1	35	-1.0	-50.83	307.84	1.76	-49.07
O=C(CCCC1=N[N-]N=N1)NCC1CC2=CC=CC=C21	REAL250004583579	0	36	-1.0	-48.10	306.32	4.77	-43.33
O=C(CCCC1=NN=N[N-]1)NCC1CC2=CC=CC=C21	REAL250004583579	1	36	-1.0	-48.15	306.37	4.78	-43.37
CCOC1=CC(C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583581	0	39	-1.0	-47.77	325.07	4.37	-43.40
CCOC1=CC(C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583581	1	39	-1.0	-47.79	325.12	4.39	-43.40
CC1=NC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583582	0	34	-1.0	-48.68	303.88	3.55	-45.13
CC1=NC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583582	1	34	-1.0	-48.67	303.94	3.57	-45.10
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=N1	REAL250004583583	0	28	-1.0	-52.59	255.75	3.13	-49.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=N1	REAL250004583583	1	28	-1.0	-52.57	255.70	3.11	-49.46
O=C(NC1=CC=C(F)C=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583584	0	31	-1.0	-58.96	280.20	6.06	-52.90
O=C(NC1=CC=C(F)C=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583584	1	31	-1.0	-58.72	280.29	6.08	-52.64
O=C(NC1=CC=C(F)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583585	0	28	-1.0	-38.28	266.35	2.91	-35.37
O=C(NC1=CC=C(F)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583585	1	28	-1.0	-38.26	266.28	2.90	-35.36
CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL250004583586	0	35	-1.0	-54.44	303.16	3.08	-51.36
CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL250004583586	1	35	-1.0	-54.45	303.22	3.09	-51.36
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583587	0	34	-1.0	-48.55	295.65	2.25	-46.30
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583587	1	34	-1.0	-48.56	295.71	2.26	-46.30
CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004583588	0	34	-1.0	-38.24	306.24	2.04	-36.20
CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004583588	1	34	-1.0	-38.19	306.31	2.04	-36.15
O=C(NC1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583589	0	36	-1.0	-52.76	296.75	3.67	-49.09
O=C(NC1CCOCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583589	1	36	-1.0	-52.55	296.85	3.69	-48.86
O=C(NC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583590	0	33	-1.0	-35.61	282.96	0.58	-35.03
O=C(NC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583590	1	33	-1.0	-35.59	283.03	0.58	-35.01
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004583591	0	32	-1.0	-47.60	281.52	5.15	-42.45
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004583591	1	32	-1.0	-47.65	281.58	5.17	-42.48
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL250004583592	0	32	-1.0	-35.11	279.18	5.18	-29.93
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL250004583592	1	32	-1.0	-35.07	279.25	5.19	-29.88
CC1=NN(C(C)C)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583593	0	41	-1.0	-52.13	344.09	3.76	-48.37
CC1=NN(C(C)C)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583593	1	41	-1.0	-52.17	344.14	3.77	-48.40
CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583595	0	36	-1.0	-52.41	304.35	3.58	-48.83
CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583595	1	36	-1.0	-52.42	304.41	3.60	-48.82
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CC=C1	REAL250004583596	0	36	-1.0	-48.02	312.23	1.85	-46.17
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CC=C1	REAL250004583596	1	36	-1.0	-48.03	312.29	1.87	-46.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CN=CO2)=C1	REAL250004583597	0	35	-1.0	-54.90	307.94	1.78	-53.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CN=CO2)=C1	REAL250004583597	1	35	-1.0	-54.94	307.88	1.76	-53.18
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2CC2)CC1	REAL250004583598	1	41	-1.0	-46.24	322.61	3.44	-42.80
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2CC2)CC1	REAL250004583598	1	41	-1.0	-46.22	322.66	3.45	-42.77
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCC1	REAL250004583600	0	39	-1.0	-46.97	319.32	2.61	-44.36
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCC1	REAL250004583600	1	39	-1.0	-46.99	319.37	2.62	-44.37
COC(=O)CCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583601	0	43	-1.0	-49.86	347.24	5.50	-44.36
COC(=O)CCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583601	1	43	-1.0	-49.85	347.30	5.51	-44.34
CC1=NC=CN1CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583602	0	41	-1.0	-49.90	339.05	4.35	-45.55
CC1=NC=CN1CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583602	1	41	-1.0	-49.92	339.11	4.36	-45.56
CN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004583603	0	35	-1.0	-53.27	295.65	5.60	-47.67
CN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004583603	1	35	-1.0	-53.27	295.70	5.61	-47.66
CC1=CC=CC=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583604	0	42	-1.0	-49.45	335.23	7.47	-41.98
CC1=CC=CC=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583604	1	42	-1.0	-49.53	335.29	7.48	-42.05
CC(C)N(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004583605	0	40	-1.0	-46.23	323.27	5.68	-40.55
CC(C)N(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004583605	1	40	-1.0	-46.26	323.32	5.70	-40.56
CN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004583606	0	34	-1.0	-46.86	292.04	3.78	-43.08
CN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004583606	1	34	-1.0	-46.89	292.10	3.79	-43.10
CN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583607	0	34	-1.0	-41.08	299.82	4.17	-36.91
CN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583607	1	34	-1.0	-41.01	299.89	4.18	-36.83
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CSC1=O	REAL250004583608	0	33	-1.0	-53.12	304.55	0.58	-52.54
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CSC1=O	REAL250004583608	1	33	-1.0	-53.16	304.61	0.60	-52.56
CCC1=CC=CC2=C1N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004583609	0	39	-1.0	-46.46	305.36	6.35	-40.11
CCC1=CC=CC2=C1N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004583609	1	39	-1.0	-46.47	305.42	6.37	-40.10
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004583610	0	41	-1.0	-47.60	322.05	4.90	-42.70
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004583610	1	41	-1.0	-47.62	322.10	4.92	-42.70
O=C(CCCC1=N[N-]N=N1)NCC1CCCCCCC1	REAL250004583611	0	44	-1.0	-45.85	323.18	4.75	-41.10
O=C(CCCC1=NN=N[N-]1)NCC1CCCCCCC1	REAL250004583611	1	44	-1.0	-45.88	323.23	4.78	-41.10
O=C(CCCC1=N[N-]N=N1)N(CC1CCCCC1)C1CC1	REAL250004583612	0	45	-1.0	-46.61	335.96	7.15	-39.46
O=C(CCCC1=NN=N[N-]1)N(CC1CCCCC1)C1CC1	REAL250004583612	1	45	-1.0	-46.62	336.02	7.16	-39.46
CC(C)CCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583613	0	40	-1.0	-38.37	320.03	7.26	-31.11
CC(C)CCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583613	1	40	-1.0	-38.30	320.12	7.28	-31.02
CC(C)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583614	0	37	-1.0	-35.70	305.52	5.03	-30.67
CC(C)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583614	1	37	-1.0	-35.70	305.59	5.06	-30.64
CC1=NC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583615	0	33	-1.0	-48.11	290.71	1.41	-46.70
CC1=NC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583615	1	33	-1.0	-48.12	290.76	1.42	-46.70
CC1=NC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004583616	0	33	-1.0	-38.20	301.30	1.20	-37.00
CC1=NC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004583616	1	33	-1.0	-38.23	301.37	1.20	-37.03
CCCNC(=O)CN(CCC)C(=O)CCCC1=N[N-]N=N1	REAL250004583617	0	44	-1.0	-52.50	360.30	3.75	-48.75
CCCNC(=O)CN(CCC)C(=O)CCCC1=NN=N[N-]1	REAL250004583617	1	44	-1.0	-52.48	360.36	3.76	-48.72
COC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583618	0	37	-1.0	-50.37	304.73	2.37	-48.00
COC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583618	1	37	-1.0	-50.42	304.79	2.38	-48.04
O=C(CCCC1=N[N-]N=N1)NCC1COCCO1	REAL250004583619	0	34	-1.0	-47.26	285.22	-0.32	-47.58
O=C(CCCC1=NN=N[N-]1)NCC1COCCO1	REAL250004583619	1	34	-1.0	-47.25	285.28	-0.30	-47.55
O=C(NCC1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583620	0	34	-1.0	-36.97	295.53	-0.45	-37.42
O=C(NCC1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583620	1	34	-1.0	-36.97	295.60	-0.45	-37.42
CNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004583621	0	42	-1.0	-55.38	329.45	1.88	-53.50
CNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004583621	1	42	-1.0	-55.40	329.51	1.90	-53.50
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583622	0	39	-1.0	-48.49	323.14	4.48	-44.01
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583622	1	39	-1.0	-48.48	323.20	4.49	-43.99
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C([N+](=O)[O-])C=C1	REAL250004583624	0	34	-1.0	-48.53	307.30	4.15	-44.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C([N+](=O)[O-])C=C1	REAL250004583624	1	34	-1.0	-48.53	307.36	4.17	-44.36
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004583625	0	37	-1.0	-38.38	290.34	6.29	-32.09
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004583625	1	37	-1.0	-38.31	290.43	6.29	-32.02
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004583626	0	34	-1.0	-35.74	276.04	4.60	-31.14
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004583626	1	34	-1.0	-35.75	276.11	4.61	-31.14
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004583627	0	36	-1.0	-47.31	310.58	3.65	-43.66
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004583627	1	36	-1.0	-47.29	310.64	3.67	-43.62
COC1=C(F)C=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004583628	0	33	-1.0	-49.29	298.90	2.90	-46.39
COC1=C(F)C=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004583628	1	33	-1.0	-49.34	298.96	2.91	-46.43
COCCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004583629	0	42	-1.0	-49.55	343.93	2.51	-47.04
COCCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004583629	1	42	-1.0	-49.52	343.98	2.53	-46.99
CCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004583630	0	37	-1.0	-50.12	312.70	4.27	-45.85
CCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004583630	1	37	-1.0	-50.14	312.75	4.28	-45.86
CCNC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004583631	0	38	-1.0	-53.05	317.30	2.22	-50.83
CCNC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004583631	1	38	-1.0	-53.10	317.36	2.24	-50.86
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583632	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583632	1	38	-1.0	-50.65	322.36	3.62	-47.03
CCCCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004583633	0	43	-1.0	-46.83	334.66	6.20	-40.63
CCCCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004583633	1	43	-1.0	-46.84	334.72	6.21	-40.63
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCCC2)S1	REAL250004583634	0	35	-1.0	-53.37	303.27	4.51	-48.86
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCCC2)S1	REAL250004583634	1	35	-1.0	-53.38	303.33	4.53	-48.85
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583635	0	38	-1.0	-48.22	322.19	1.95	-46.27
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583635	1	38	-1.0	-48.19	322.13	1.94	-46.25
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC(=O)C=CC2=C1	REAL250004583636	0	34	-1.0	-51.10	300.90	4.85	-46.25
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC(=O)C=CC2=C1	REAL250004583636	1	34	-1.0	-51.10	300.96	4.87	-46.23
CC1=CC(C)=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583637	0	38	-1.0	-49.10	318.00	6.42	-42.68
CC1=CC(C)=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583637	1	38	-1.0	-49.13	318.05	6.43	-42.70
CCC(=O)N1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583638	0	42	-1.0	-55.08	331.23	4.69	-50.39
CCC(=O)N1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583638	1	42	-1.0	-55.09	331.29	4.70	-50.39
CCCCCCCC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583642	0	49	-1.0	-46.09	385.27	6.50	-39.59
CCCCCCCC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583642	1	49	-1.0	-46.09	385.33	6.52	-39.57
CCCNC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004583643	0	38	-1.0	-56.80	321.77	0.36	-56.44
CCCNC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004583643	1	38	-1.0	-56.83	321.83	0.37	-56.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004583644	0	31	-1.0	-49.79	281.47	4.02	-45.77
O=C(CCCC1=NN=N[N-]1)NC1=CC=C([N+](=O)[O-])C=C1	REAL250004583644	1	31	-1.0	-49.84	281.53	4.04	-45.80
CC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583645	0	38	-1.0	-47.41	311.04	5.61	-41.80
CC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583645	1	38	-1.0	-47.42	311.10	5.63	-41.79
CCC1=CC=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583646	0	38	-1.0	-47.11	313.68	5.88	-41.23
CCC1=CC=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583646	1	38	-1.0	-47.17	313.74	5.89	-41.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C(F)(F)F	REAL250004583647	0	32	-1.0	-45.04	287.87	4.64	-40.40
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CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004583650	1	35	-1.0	-44.74	302.10	4.02	-40.72
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CC1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004583661	1	27	-1.0	-40.34	267.53	1.39	-38.95
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CC1=CC=CC=C1OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583669	0	39	-1.0	-47.70	329.06	3.85	-43.85
CC1=CC=CC=C1OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583669	1	39	-1.0	-47.69	329.12	3.86	-43.83
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC(C)=CC(C)=C1	REAL250004583670	0	41	-1.0	-48.61	337.40	7.25	-41.36
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC(C)=CC(C)=C1	REAL250004583670	1	41	-1.0	-48.63	337.45	7.27	-41.36
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CC1=NN(CCC#N)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583671	1	36	-1.0	-51.91	318.02	3.99	-47.92
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CC(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583673	0	34	-1.0	-45.23	298.66	3.38	-41.85
CC(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583673	1	34	-1.0	-45.22	298.72	3.40	-41.82
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COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004583676	1	38	-1.0	-48.09	307.61	3.86	-44.23
CCN(CCC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583677	0	35	-1.0	-41.43	297.96	6.45	-34.98
CCN(CCC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583677	1	35	-1.0	-41.28	298.06	6.45	-34.83
CCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583678	0	32	-1.0	-38.85	284.36	4.71	-34.14
CCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583678	1	32	-1.0	-38.75	284.43	4.71	-34.04
CCCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004583679	0	40	-1.0	-44.92	324.47	3.63	-41.29
CCCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004583679	1	40	-1.0	-44.91	324.53	3.64	-41.27
CCN(CCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004583680	0	40	-1.0	-48.52	328.80	5.38	-43.14
CCN(CCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004583680	1	40	-1.0	-48.51	328.86	5.40	-43.11
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CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583682	0	39	-1.0	-48.25	329.38	3.74	-44.51
CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583682	1	39	-1.0	-48.25	329.44	3.76	-44.49
CC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004583683	0	38	-1.0	-46.15	290.87	4.08	-42.07
CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004583683	1	38	-1.0	-46.16	290.93	4.10	-42.06
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL250004583684	0	38	-1.0	-35.41	301.45	3.88	-31.53
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL250004583684	1	38	-1.0	-35.36	301.53	3.87	-31.49
N#CCCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004583685	0	33	-1.0	-55.14	298.94	4.49	-50.65
N#CCCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004583685	1	33	-1.0	-55.17	299.00	4.50	-50.67
N#CCCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583686	0	33	-1.0	-44.49	305.23	5.18	-39.31
N#CCCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583686	1	33	-1.0	-44.49	305.28	5.20	-39.29
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=C2CCCN21	REAL250004583687	0	38	-1.0	-50.89	319.87	3.65	-47.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=C2CCCN21	REAL250004583687	1	38	-1.0	-50.91	319.93	3.66	-47.25
CCCCN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583688	0	37	-1.0	-47.74	313.80	5.29	-42.45
CCCCN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583688	1	37	-1.0	-47.80	313.86	5.31	-42.49
CC(C#N)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583689	0	35	-1.0	-40.78	294.77	6.19	-34.59
CC(C#N)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583689	1	35	-1.0	-40.65	294.88	6.21	-34.44
CC(C#N)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583690	0	32	-1.0	-37.54	280.40	3.95	-33.59
CC(C#N)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583690	1	32	-1.0	-37.48	280.47	3.96	-33.52
CCCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583691	0	41	-1.0	-53.18	335.73	4.08	-49.10
CCCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583691	1	41	-1.0	-53.15	335.79	4.09	-49.06
CCCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583692	1	36	-1.0	-55.81	320.94	3.79	-52.02
CCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583693	1	33	-1.0	-55.85	299.44	3.00	-52.85
CC(C)C1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583694	1	33	-1.0	-55.88	298.76	2.84	-53.04
CC(C)(C)C1=NN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583695	1	36	-1.0	-56.13	317.06	3.34	-52.79
CC(C)(C)C1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583695	1	36	-1.0	-56.14	317.00	3.33	-52.81
CN(CC1=COC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583696	0	35	-1.0	-55.15	299.73	6.08	-49.07
CN(CC1=COC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583696	1	35	-1.0	-54.98	299.82	6.10	-48.88
CN(CC1=COC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583697	0	32	-1.0	-37.02	285.60	3.97	-33.05
CN(CC1=COC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583697	1	32	-1.0	-37.03	285.67	3.98	-33.05
CC(CC1=CSC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583698	0	35	-1.0	-48.60	309.67	4.16	-44.44
CC(CC1=CSC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583698	1	35	-1.0	-48.60	309.73	4.17	-44.43
CC1=CC=CC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583699	0	42	-1.0	-49.26	342.08	7.62	-41.64
CC1=CC=CC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583699	1	42	-1.0	-49.27	342.14	7.63	-41.64
NC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583700	0	33	-1.0	-59.26	292.11	-0.79	-60.05
NC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583700	1	33	-1.0	-59.30	292.05	-0.81	-60.11
CC1=CC2=NC(CNC(=O)CCCC3=N[N-]N=N3)=CN2C=C1	REAL250004583702	0	38	-1.0	-52.52	327.49	4.63	-47.89
CC1=CC2=NC(CNC(=O)CCCC3=NN=N[N-]3)=CN2C=C1	REAL250004583702	1	38	-1.0	-52.52	327.55	4.65	-47.87
CC(CC1=CC=CC=C1F)NC(=O)CCCC1=N[N-]N=N1	REAL250004583703	0	38	-1.0	-47.10	319.84	5.52	-41.58
CC(CC1=CC=CC=C1F)NC(=O)CCCC1=NN=N[N-]1	REAL250004583703	1	38	-1.0	-47.06	319.89	5.54	-41.52
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCO2	REAL250004583704	0	35	-1.0	-49.32	305.10	2.13	-47.19
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCO2	REAL250004583704	1	35	-1.0	-49.30	305.16	2.14	-47.16
COC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583705	0	39	-1.0	-48.28	331.97	3.43	-44.85
COC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583705	1	39	-1.0	-48.29	332.02	3.44	-44.85
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CCC1C2	REAL250004583706	0	36	-1.0	-57.27	285.36	6.63	-50.64
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CCC1C2	REAL250004583706	1	36	-1.0	-57.02	285.45	6.65	-50.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC1C2	REAL250004583707	0	33	-1.0	-37.16	274.02	4.35	-32.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC1C2	REAL250004583707	1	33	-1.0	-37.11	274.08	4.35	-32.76
CN(CC1CCCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004583708	0	39	-1.0	-50.69	309.98	4.27	-46.42
CN(CC1CCCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004583708	1	39	-1.0	-50.65	310.04	4.28	-46.37
CCCN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004583709	0	47	-1.0	-46.55	357.92	7.51	-39.04
CCCN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004583709	1	47	-1.0	-46.57	357.98	7.52	-39.05
CS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583710	0	34	-1.0	-55.83	304.31	-1.22	-57.05
CS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583710	1	34	-1.0	-55.81	304.37	-1.21	-57.02
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004583711	0	39	-1.0	-48.40	316.32	5.41	-42.99
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004583711	1	39	-1.0	-48.39	316.38	5.42	-42.97
CCCN(CC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004583712	0	38	-1.0	-52.87	317.32	2.14	-50.73
CCCN(CC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004583712	1	38	-1.0	-52.88	317.38	2.15	-50.73
NC(=O)CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583713	0	32	-1.0	-53.90	295.88	-0.92	-54.82
NC(=O)CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583713	1	32	-1.0	-53.87	295.94	-0.91	-54.78
CCCCCCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583714	0	49	-1.0	-47.47	387.76	8.03	-39.44
CCCCCCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583714	1	49	-1.0	-47.45	387.82	8.05	-39.40
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCCC1	REAL250004583715	0	42	-1.0	-46.77	336.53	3.19	-43.58
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCCC1	REAL250004583715	1	42	-1.0	-46.78	336.59	3.20	-43.58
CCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583716	1	30	-1.0	-56.19	277.94	2.24	-53.95
CC(C)CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583717	1	36	-1.0	-55.86	316.40	3.48	-52.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NNC=C2)C=C1	REAL250004583718	0	36	-1.0	-51.42	312.12	3.38	-48.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NNC=C2)C=C1	REAL250004583718	1	36	-1.0	-51.42	312.18	3.39	-48.03
CCCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583720	0	47	-1.0	-47.05	363.49	5.95	-41.10
CCCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583720	1	47	-1.0	-47.06	363.55	5.96	-41.10
CC(C)C(C)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583721	0	41	-1.0	-45.66	316.48	6.39	-39.27
CC(C)C(C)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583721	1	41	-1.0	-45.69	316.54	6.41	-39.28
O=C(NCCN1C=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583722	0	35	-1.0	-60.69	305.92	4.37	-56.32
O=C(NCCN1C=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583722	1	35	-1.0	-60.06	306.40	4.34	-55.72
O=C(NCCN1C=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583723	0	32	-1.0	-40.07	292.24	1.26	-38.81
O=C(NCCN1C=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583723	1	32	-1.0	-40.11	292.17	1.24	-38.87
CCN(CC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583724	0	32	-1.0	-58.44	274.63	5.67	-52.77
CCN(CC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583724	1	32	-1.0	-57.57	274.76	5.72	-51.85
CCN(CC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583725	0	29	-1.0	-40.66	264.29	3.78	-36.88
CCN(CC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583725	1	29	-1.0	-40.60	264.36	3.78	-36.82
CCOC(=O)CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583726	0	41	-1.0	-47.65	337.37	5.74	-41.91
CCOC(=O)CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583726	1	41	-1.0	-47.68	337.42	5.75	-41.93
CN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583727	0	31	-1.0	-47.78	276.90	3.73	-44.05
CN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583727	1	31	-1.0	-47.80	276.96	3.74	-44.06
C#CCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583728	0	33	-1.0	-54.75	281.06	6.43	-48.32
C#CCN(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583728	1	33	-1.0	-54.91	281.19	6.49	-48.42
C#CCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583729	0	30	-1.0	-36.80	270.72	4.60	-32.20
C#CCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583729	1	30	-1.0	-36.71	270.79	4.61	-32.10
CNC(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583730	0	31	-1.0	-56.67	273.45	0.83	-55.84
CNC(=O)NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583730	1	31	-1.0	-56.48	273.52	0.85	-55.63
CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583733	0	38	-1.0	-46.16	290.01	4.87	-41.29
CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583733	1	38	-1.0	-46.20	290.07	4.88	-41.32
CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583734	0	38	-1.0	-35.03	297.28	5.07	-29.96
CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583734	1	38	-1.0	-34.95	297.35	5.09	-29.86
CN(CCC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583735	0	37	-1.0	-50.01	313.55	4.61	-45.40
CN(CCC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583735	1	37	-1.0	-50.03	313.61	4.62	-45.41
CCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583736	0	39	-1.0	-48.10	311.12	3.57	-44.53
CCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583736	1	39	-1.0	-48.13	311.18	3.58	-44.55
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN=C1N1C=NC=N1	REAL250004583737	0	34	-1.0	-48.50	300.00	5.84	-42.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=CN=C1N1C=NC=N1	REAL250004583737	1	34	-1.0	-48.51	299.95	5.83	-42.68
CC(=O)NCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583738	0	42	-1.0	-54.79	336.52	2.68	-52.11
CC(=O)NCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583738	1	42	-1.0	-54.77	336.57	2.70	-52.07
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004583739	0	40	-1.0	-52.75	315.37	6.28	-46.47
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004583739	1	40	-1.0	-52.53	315.44	6.28	-46.25
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004583740	0	37	-1.0	-35.29	301.37	3.12	-32.17
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004583740	1	37	-1.0	-35.29	301.44	3.14	-32.15
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C#N)=C1	REAL250004583742	0	33	-1.0	-51.82	296.02	5.48	-46.34
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C#N)=C1	REAL250004583742	1	33	-1.0	-51.86	296.09	5.49	-46.37
CC1=NOC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583743	0	34	-1.0	-46.77	296.21	2.25	-44.52
CC1=NOC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583743	1	34	-1.0	-46.79	296.27	2.26	-44.53
CC1=NOC(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583744	0	34	-1.0	-37.17	306.95	2.05	-35.12
CC1=NOC(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583744	1	34	-1.0	-37.12	307.02	2.05	-35.07
CC(C)C1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583745	0	41	-1.0	-49.06	335.37	6.99	-42.07
CC(C)C1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583745	1	41	-1.0	-49.11	335.43	7.01	-42.10
CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004583746	0	39	-1.0	-50.04	323.44	5.40	-44.64
CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004583746	1	39	-1.0	-50.07	323.50	5.41	-44.66
CN(CC1=CSC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004583747	0	31	-1.0	-53.20	281.53	2.58	-50.62
CN(CC1=CSC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004583747	1	31	-1.0	-53.23	281.59	2.60	-50.63
C=CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583748	0	37	-1.0	-52.74	317.25	4.17	-48.57
C=CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583748	1	37	-1.0	-52.73	317.31	4.18	-48.55
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C)=C1C	REAL250004583749	0	41	-1.0	-48.40	324.39	7.30	-41.10
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C)=C1C	REAL250004583749	1	41	-1.0	-48.43	324.44	7.31	-41.12
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC(F)=CC=C21	REAL250004583750	0	36	-1.0	-48.99	308.45	4.79	-44.20
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC(F)=CC=C21	REAL250004583750	1	36	-1.0	-49.01	308.50	4.80	-44.21
COCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583751	0	36	-1.0	-49.55	308.25	-0.22	-49.77
COCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583751	1	36	-1.0	-49.54	308.31	-0.20	-49.74
COCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583752	0	36	-1.0	-38.61	318.85	-0.42	-39.03
COCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583752	1	36	-1.0	-38.56	318.91	-0.41	-38.97
CCC1=NC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004583753	0	37	-1.0	-53.42	325.23	4.07	-49.35
CCC1=NC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004583753	1	37	-1.0	-53.49	325.29	4.08	-49.41
CCOC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004583754	0	41	-1.0	-47.91	329.42	4.77	-43.14
CCOC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004583754	1	41	-1.0	-47.95	329.47	4.78	-43.17
CC1=C2C=C(NC(=O)CCCC3=N[N-]N=N3)C=NC2=NN1	REAL250004583755	0	34	-1.0	-60.19	296.35	1.85	-58.34
CC1=C2C=C(NC(=O)CCCC3=NN=N[N-]3)C=NC2=NN1	REAL250004583755	1	34	-1.0	-60.18	296.40	1.87	-58.31
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004583757	0	39	-1.0	-46.86	328.66	3.52	-43.34
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004583757	1	39	-1.0	-46.86	328.72	3.54	-43.32
CN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583758	0	28	-1.0	-48.01	252.88	2.93	-45.08
CN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583758	1	28	-1.0	-48.03	252.93	2.95	-45.08
CN(CC(F)(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583759	0	28	-1.0	-36.36	260.99	3.34	-33.02
CN(CC(F)(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583759	1	28	-1.0	-36.31	261.06	3.35	-32.96
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004583760	0	38	-1.0	-52.52	313.54	6.35	-46.17
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004583760	1	38	-1.0	-52.34	313.64	6.35	-45.99
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583761	0	35	-1.0	-34.77	299.80	3.21	-31.56
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583761	1	35	-1.0	-34.75	299.87	3.22	-31.53
CCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583762	0	44	-1.0	-47.09	341.99	5.17	-41.92
CCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583762	1	44	-1.0	-47.09	342.05	5.18	-41.91
COC1=C(Cl)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583763	0	33	-1.0	-44.77	300.98	3.45	-41.32
COC1=C(Cl)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583763	1	33	-1.0	-44.78	301.04	3.46	-41.32
CN1C=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004583764	0	35	-1.0	-53.97	306.22	4.20	-49.77
CN1C=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004583764	1	35	-1.0	-53.78	306.32	4.19	-49.59
CN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583765	0	32	-1.0	-38.92	292.49	1.07	-37.85
CN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583765	1	32	-1.0	-38.95	292.56	1.07	-37.88
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004583766	0	42	-1.0	-49.50	336.70	6.85	-42.65
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004583766	1	42	-1.0	-49.52	336.76	6.86	-42.66
CN(C)C(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583767	0	38	-1.0	-50.86	318.06	1.51	-49.35
CN(C)C(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583767	1	38	-1.0	-50.89	318.11	1.53	-49.36
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583768	0	38	-1.0	-49.25	317.68	6.26	-42.99
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583768	1	38	-1.0	-49.26	317.74	6.28	-42.98
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583769	0	41	-1.0	-46.06	322.01	4.49	-41.57
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583769	1	41	-1.0	-46.13	322.07	4.51	-41.62
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583770	0	41	-1.0	-45.98	314.98	4.28	-41.70
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583770	1	41	-1.0	-45.95	315.04	4.29	-41.66
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=N1	REAL250004583771	0	38	-1.0	-51.29	316.11	5.01	-46.28
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=N1	REAL250004583771	1	38	-1.0	-51.30	316.17	5.03	-46.27
CC(C1=CC=CO1)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583772	0	39	-1.0	-46.97	318.03	5.75	-41.22
CC(C1=CC=CO1)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583772	1	39	-1.0	-46.91	318.09	5.76	-41.15
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004583773	0	38	-1.0	-50.61	321.13	7.84	-42.77
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004583773	1	38	-1.0	-50.65	321.18	7.86	-42.79
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004583774	0	32	-1.0	-46.96	287.88	5.21	-41.75
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004583774	1	32	-1.0	-46.94	287.94	5.22	-41.72
CC(C)C1CCC(C)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004583775	0	47	-1.0	-47.04	346.34	5.40	-41.64
CC(C)C1CCC(C)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004583775	1	47	-1.0	-47.05	346.40	5.42	-41.63
CN(C(=O)CCCC1=N[N-]N=N1)C1CC2=CC=CC=C2C1	REAL250004583776	0	39	-1.0	-47.98	314.88	6.42	-41.56
CN(C(=O)CCCC1=NN=N[N-]1)C1CC2=CC=CC=C2C1	REAL250004583776	1	39	-1.0	-48.00	314.93	6.43	-41.57
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583777	0	35	-1.0	-45.48	310.08	4.19	-41.29
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583777	1	35	-1.0	-45.52	310.14	4.20	-41.32
CCOC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583778	0	34	-1.0	-45.23	295.07	2.34	-42.89
CCOC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583778	1	34	-1.0	-45.20	295.12	2.35	-42.85
CCOC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583779	0	34	-1.0	-36.96	305.66	2.12	-34.84
CCOC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583779	1	34	-1.0	-36.90	305.73	2.14	-34.76
COC1=CC=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583782	0	33	-1.0	-48.64	296.56	3.27	-45.37
COC1=CC=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583782	1	33	-1.0	-48.66	296.62	3.28	-45.38
CCCCNC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004583783	0	37	-1.0	-51.05	313.19	0.39	-50.66
CCCCNC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004583783	1	37	-1.0	-51.06	313.25	0.40	-50.66
O=C(CCCC1=NN=N[N-]1)NCC1=CN2C=CSC2=N1	REAL250004583784	0	32	-1.0	-52.42	296.52	3.20	-49.22
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004583785	0	39	-1.0	-48.54	324.69	4.32	-44.22
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004583785	1	39	-1.0	-48.56	324.75	4.34	-44.22
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1CC1	REAL250004583786	0	32	-1.0	-51.09	280.31	-0.29	-51.38
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1CC1	REAL250004583786	1	32	-1.0	-51.14	280.36	-0.27	-51.41
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCC1	REAL250004583788	0	38	-1.0	-53.19	300.56	5.91	-47.28
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCC1	REAL250004583788	1	38	-1.0	-53.20	301.02	5.90	-47.30
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004583789	0	35	-1.0	-35.49	287.87	2.81	-32.68
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004583789	1	35	-1.0	-35.48	287.94	2.81	-32.67
O=C(NC1CCN(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583791	1	38	-1.0	-34.64	321.70	1.11	-33.53
O=C(NC1CCN(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583791	1	38	-1.0	-34.65	321.77	1.12	-33.53
O=C(CCCC1=N[N-]N=N1)NNC(=O)NCC1=CC=CO1	REAL250004583792	0	35	-1.0	-50.98	310.85	-0.02	-51.00
O=C(CCCC1=NN=N[N-]1)NNC(=O)NCC1=CC=CO1	REAL250004583792	1	35	-1.0	-50.97	310.91	-0.01	-50.98
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2N=C1	REAL250004583793	0	37	-1.0	-48.63	320.32	3.85	-44.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2N=C1	REAL250004583793	1	37	-1.0	-48.59	320.26	3.83	-44.76
CCNC(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583794	0	34	-1.0	-55.96	294.94	1.68	-54.28
CCNC(=O)NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583794	1	34	-1.0	-55.76	295.01	1.71	-54.05
O=C(CCCC1=N[N-]N=N1)NNC(=O)NCC1CC1	REAL250004583796	0	35	-1.0	-50.94	301.73	0.40	-50.54
O=C(CCCC1=NN=N[N-]1)NNC(=O)NCC1CC1	REAL250004583796	1	35	-1.0	-50.95	301.79	0.41	-50.54
COCCCNC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004583797	0	38	-1.0	-51.65	325.36	-1.32	-52.97
COCCCNC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004583797	1	38	-1.0	-51.66	325.42	-1.31	-52.97
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583798	0	31	-1.0	-47.07	276.01	1.65	-45.42
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583798	1	31	-1.0	-47.10	276.07	1.66	-45.44
CC1=NOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004583799	0	34	-1.0	-51.10	300.34	4.57	-46.53
CC1=NOC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004583799	1	34	-1.0	-50.95	300.43	4.56	-46.39
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004583800	0	31	-1.0	-37.48	286.60	1.44	-36.04
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004583800	1	31	-1.0	-37.52	286.67	1.44	-36.08
CC(C)(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583801	0	39	-1.0	-49.50	324.76	3.33	-46.17
CC(C)(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583801	1	39	-1.0	-49.49	324.70	3.32	-46.17
O=C(NCC1CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583802	0	36	-1.0	-54.17	299.71	3.52	-50.65
O=C(NCC1CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583802	1	36	-1.0	-54.03	299.78	3.54	-50.49
O=C(NCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583803	0	33	-1.0	-36.68	285.56	0.43	-36.25
O=C(NCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583803	1	33	-1.0	-36.72	285.62	0.44	-36.28
CN1N=C2CCCC2=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583804	0	36	-1.0	-50.43	297.44	3.83	-46.60
CN1N=C2CCCC2=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583804	1	36	-1.0	-50.44	297.49	3.85	-46.59
CC(C)N(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004583805	0	38	-1.0	-46.66	317.43	5.92	-40.74
CC(C)N(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004583805	1	38	-1.0	-46.66	317.49	5.93	-40.73
CCOC(=O)CN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004583806	0	38	-1.0	-56.40	331.81	1.29	-55.11
CCOC(=O)CN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004583806	1	38	-1.0	-56.38	331.87	1.30	-55.08
O=C(NCC1=NNC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583807	0	31	-1.0	-56.25	278.01	3.46	-52.79
O=C(NCC1=NNC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583807	1	31	-1.0	-56.03	278.11	3.46	-52.57
O=C(NCC1=NNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583808	0	28	-1.0	-40.78	264.28	0.32	-40.46
O=C(NCC1=NNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583808	1	28	-1.0	-40.75	264.35	0.32	-40.43
O=C(NCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583808	1	28	-1.0	-42.36	263.69	0.71	-41.65
N#CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004583809	0	33	-1.0	-57.56	285.40	6.16	-51.40
N#CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004583809	1	33	-1.0	-57.38	285.50	6.17	-51.21
N#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583810	0	30	-1.0	-38.68	272.27	4.17	-34.51
N#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583810	1	30	-1.0	-38.69	272.34	4.17	-34.52
CC(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583811	0	37	-1.0	-52.27	301.30	5.57	-46.70
CC(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583811	1	37	-1.0	-52.02	301.37	5.59	-46.43
CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583812	0	34	-1.0	-34.73	287.15	2.48	-32.25
CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583812	1	34	-1.0	-34.72	287.22	2.50	-32.22
O=C(CCCC1=NN=N[N-]1)NCCNC1=CN=CC=N1	REAL250004583815	0	35	-1.0	-50.98	303.85	-0.34	-51.32
O=C(CCCC1=N[N-]N=N1)NCCNC1=CN=CC=N1	REAL250004583815	1	35	-1.0	-50.95	303.79	-0.35	-51.30
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004583816	0	32	-1.0	-53.41	265.36	5.55	-47.86
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004583816	1	32	-1.0	-54.09	265.49	5.62	-48.47
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC(C)(C)C	REAL250004583817	0	41	-1.0	-47.05	331.53	1.11	-45.94
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC(C)(C)C	REAL250004583817	1	41	-1.0	-47.03	331.59	1.12	-45.91
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2CC2)=NO1	REAL250004583818	0	34	-1.0	-46.36	302.04	0.60	-45.76
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2CC2)=NO1	REAL250004583818	1	34	-1.0	-46.41	302.10	0.62	-45.79
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1CC1	REAL250004583819	0	36	-1.0	-50.07	310.79	0.39	-49.68
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1CC1	REAL250004583819	1	36	-1.0	-50.08	310.85	0.41	-49.67
CC1=NOC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583820	0	31	-1.0	-49.79	275.96	2.12	-47.67
CC1=NOC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583820	1	31	-1.0	-49.78	276.02	2.14	-47.64
CC1=NOC(C)=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583821	0	34	-1.0	-54.51	292.49	5.03	-49.48
CC1=NOC(C)=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583821	1	34	-1.0	-54.29	292.55	5.03	-49.26
CC1=NOC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583822	0	31	-1.0	-36.35	278.66	1.91	-34.44
CC1=NOC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583822	1	31	-1.0	-36.32	278.68	1.93	-34.39
COCCCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583823	0	42	-1.0	-54.15	352.51	1.14	-53.01
COCCCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583823	1	42	-1.0	-54.11	352.57	1.16	-52.95
N#CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004583824	0	33	-1.0	-62.67	288.88	4.77	-57.90
N#CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004583824	1	33	-1.0	-62.45	288.94	4.79	-57.66
N#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004583825	0	30	-1.0	-39.92	274.72	1.68	-38.24
N#CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004583825	1	30	-1.0	-39.89	274.79	1.68	-38.21
CN(CCC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583826	0	32	-1.0	-41.69	280.32	5.71	-35.98
CN(CCC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583826	1	32	-1.0	-41.59	280.41	5.73	-35.86
CN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583827	0	29	-1.0	-38.66	265.81	3.47	-35.19
CN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583827	1	29	-1.0	-38.65	265.88	3.50	-35.15
CCOC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583828	0	38	-1.0	-52.38	318.66	5.43	-46.95
CCOC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583828	1	38	-1.0	-52.39	318.72	5.46	-46.93
N#CCCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004583829	0	36	-1.0	-54.78	300.86	6.87	-47.91
N#CCCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004583829	1	36	-1.0	-54.77	300.16	6.99	-47.78
N#CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583830	0	33	-1.0	-39.65	287.92	5.23	-34.42
N#CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583830	1	33	-1.0	-39.66	287.99	5.25	-34.41
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004583831	0	31	-1.0	-46.72	285.79	1.43	-45.29
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004583831	1	31	-1.0	-46.75	285.84	1.45	-45.30
N#CCCN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004583832	0	38	-1.0	-52.05	332.18	5.24	-46.81
N#CCCN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004583832	1	38	-1.0	-52.00	332.13	5.23	-46.77
CC(C)CN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004583833	0	38	-1.0	-49.89	312.63	5.23	-44.66
CC(C)CN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004583833	1	38	-1.0	-49.90	312.69	5.24	-44.66
CC(C)CN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583834	0	38	-1.0	-38.46	317.07	5.92	-32.54
CC(C)CN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583834	1	38	-1.0	-38.42	317.13	5.92	-32.50
CCOC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583835	0	34	-1.0	-51.26	293.56	3.91	-47.35
CCOC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583835	1	34	-1.0	-51.29	293.62	3.92	-47.37
CCOC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583836	0	34	-1.0	-40.08	301.25	4.29	-35.79
CCOC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583836	1	34	-1.0	-40.07	301.32	4.31	-35.76
CC(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583837	0	29	-1.0	-48.85	263.85	3.84	-45.01
CC(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583837	1	29	-1.0	-48.64	263.92	3.86	-44.78
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583838	0	41	-1.0	-48.38	337.33	5.37	-43.01
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583838	1	41	-1.0	-48.38	337.39	5.39	-42.99
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC=NC2=C1	REAL250004583839	0	32	-1.0	-51.59	278.82	3.00	-48.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC=NC2=C1	REAL250004583839	1	32	-1.0	-51.58	278.88	3.02	-48.56
CCOC(=O)CN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004583840	0	43	-1.0	-49.39	349.83	6.10	-43.29
CCOC(=O)CN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004583840	1	43	-1.0	-49.38	349.89	6.11	-43.27
CC1CCC(N(C(=O)CCCC2=N[N-]N=N2)C2CC2)CC1	REAL250004583841	0	45	-1.0	-46.16	326.66	6.82	-39.34
CC1CCC(N(C(=O)CCCC2=NN=N[N-]2)C2CC2)CC1	REAL250004583841	1	45	-1.0	-46.17	326.71	6.83	-39.34
CC[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004583843	0	40	-1.0	-45.24	324.88	3.54	-41.70
CC[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004583843	1	40	-1.0	-45.25	324.94	3.56	-41.69
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CN1C(F)F	REAL250004583844	0	32	-1.0	-52.61	291.81	1.98	-50.63
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CN1C(F)F	REAL250004583844	1	32	-1.0	-52.62	291.87	1.99	-50.63
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O=C(CCCC1=NN=N[N-]1)N1CCN2CCCCC2C1	REAL250004583845	1	41	-1.0	-46.94	314.35	2.90	-44.04
CCN(CC1CCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004583846	0	39	-1.0	-48.08	308.79	3.53	-44.55
CCN(CC1CCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004583846	1	39	-1.0	-48.04	308.85	3.55	-44.49
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(F)=C1F	REAL250004583847	0	29	-1.0	-44.47	264.41	3.53	-40.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(F)=C1F	REAL250004583847	1	29	-1.0	-44.51	264.46	3.55	-40.96
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC2)CC1	REAL250004583848	0	38	-1.0	-46.19	298.56	2.48	-43.71
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC2)CC1	REAL250004583848	1	38	-1.0	-46.19	298.62	2.50	-43.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2CC2)CC1	REAL250004583849	0	38	-1.0	-34.66	310.27	2.94	-31.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2CC2)CC1	REAL250004583849	1	38	-1.0	-34.62	310.34	2.95	-31.67
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2)C1	REAL250004583850	0	39	-1.0	-48.15	319.80	6.31	-41.84
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2)C1	REAL250004583850	1	39	-1.0	-48.16	319.85	6.32	-41.84
CC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583851	0	33	-1.0	-52.50	292.16	-0.15	-52.65
CC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583851	1	33	-1.0	-52.49	292.22	-0.13	-52.62
CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583852	0	34	-1.0	-38.52	280.96	5.99	-32.53
CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583852	1	34	-1.0	-38.41	281.06	6.01	-32.40
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1OC	REAL250004583853	0	39	-1.0	-50.11	322.24	5.51	-44.60
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1OC	REAL250004583853	1	39	-1.0	-50.08	322.30	5.52	-44.56
CN(CC1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004583854	0	38	-1.0	-47.63	297.55	5.09	-42.54
CN(CC1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004583854	1	38	-1.0	-47.69	297.61	5.10	-42.59
CN(CC1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583855	0	38	-1.0	-35.61	304.57	5.55	-30.06
CN(CC1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583855	1	38	-1.0	-35.62	304.64	5.56	-30.06
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583856	0	35	-1.0	-52.22	297.58	3.48	-48.74
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583856	1	35	-1.0	-52.20	297.64	3.49	-48.71
N#CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583857	0	30	-1.0	-61.33	276.15	1.71	-59.62
N#CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583857	1	30	-1.0	-61.30	276.09	1.69	-59.61
N#CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004583858	0	30	-1.0	-47.10	286.72	1.51	-45.59
N#CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004583858	1	30	-1.0	-47.12	286.65	1.50	-45.62
CC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004583859	0	36	-1.0	-51.23	298.86	6.24	-44.99
CC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004583859	1	36	-1.0	-51.26	298.92	6.25	-45.01
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004583860	0	44	-1.0	-45.54	323.41	6.27	-39.27
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004583860	1	44	-1.0	-45.52	323.47	6.28	-39.24
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004583861	0	39	-1.0	-46.06	306.18	3.48	-42.58
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004583861	1	39	-1.0	-46.06	306.24	3.49	-42.57
CCCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583862	0	39	-1.0	-47.09	324.36	4.51	-42.58
CCCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583862	1	39	-1.0	-47.13	324.42	4.52	-42.61
COC1=CC=C(C)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583863	0	39	-1.0	-48.17	328.92	3.48	-44.69
COC1=CC=C(C)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583863	1	39	-1.0	-48.12	328.98	3.50	-44.62
CC(C)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583864	0	41	-1.0	-46.75	335.19	2.61	-44.14
CC(C)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583864	1	41	-1.0	-46.72	335.25	2.63	-44.09
CCCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583865	0	38	-1.0	-46.79	317.62	2.10	-44.69
CCCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583865	1	38	-1.0	-46.80	317.68	2.12	-44.68
CCCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583866	0	38	-1.0	-36.61	328.22	1.89	-34.72
CCCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583866	1	38	-1.0	-36.54	328.29	1.91	-34.63
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004583867	0	41	-1.0	-45.95	335.12	5.17	-40.78
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004583867	1	41	-1.0	-45.95	335.17	5.19	-40.76
O=C(NCC1=COC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583868	0	32	-1.0	-52.57	284.19	4.34	-48.23
O=C(NCC1=COC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583868	1	32	-1.0	-52.34	284.29	4.37	-47.97
O=C(NCC1=COC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583869	0	29	-1.0	-36.66	270.41	1.24	-35.42
O=C(NCC1=COC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583869	1	29	-1.0	-36.58	270.48	1.24	-35.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2N=CC=N2)C=C1	REAL250004583870	0	35	-1.0	-52.74	306.92	3.25	-49.49
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2N=CC=N2)C=C1	REAL250004583870	1	35	-1.0	-52.73	306.86	3.24	-49.49
CC(=O)N(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583871	0	42	-1.0	-51.50	329.28	3.73	-47.77
CC(=O)N(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583871	1	42	-1.0	-51.56	329.34	3.74	-47.82
COC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004583872	0	35	-1.0	-48.76	302.31	1.80	-46.96
COC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004583872	1	35	-1.0	-48.75	302.25	1.79	-46.96
COC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583873	0	38	-1.0	-54.57	306.23	5.17	-49.40
COC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583873	1	38	-1.0	-54.55	306.29	5.19	-49.36
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1(C#N)CCC1	REAL250004583874	0	36	-1.0	-62.18	299.85	6.23	-55.95
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1(C#N)CCC1	REAL250004583874	1	36	-1.0	-61.99	299.92	6.24	-55.75
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C#N)CCC1	REAL250004583875	0	33	-1.0	-40.50	285.68	4.03	-36.47
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C#N)CCC1	REAL250004583875	1	33	-1.0	-40.48	285.75	4.04	-36.44
COCC(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583876	0	38	-1.0	-51.96	317.24	3.96	-48.00
COCC(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583876	1	38	-1.0	-51.79	317.31	3.98	-47.81
COCC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583877	0	35	-1.0	-35.67	303.08	0.86	-34.81
COCC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583877	1	35	-1.0	-35.65	303.15	0.87	-34.78
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SC=C1	REAL250004583878	0	32	-1.0	-45.76	288.47	3.13	-42.63
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SC=C1	REAL250004583878	1	32	-1.0	-45.77	288.53	3.14	-42.63
COCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583879	0	35	-1.0	-38.69	290.68	4.41	-34.28
COCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583879	1	35	-1.0	-38.54	290.79	4.43	-34.11
COCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583880	0	32	-1.0	-36.01	276.58	2.15	-33.86
COCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583880	1	32	-1.0	-35.92	276.65	2.18	-33.74
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=C2)N=C1	REAL250004583881	0	36	-1.0	-53.20	311.31	4.53	-48.67
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=C2)N=C1	REAL250004583881	1	36	-1.0	-53.16	311.26	4.52	-48.64
CCOC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004583882	0	34	-1.0	-53.13	296.50	2.16	-50.97
CCOC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004583882	1	34	-1.0	-53.13	296.55	2.17	-50.96
CCOC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583883	0	34	-1.0	-39.11	307.09	1.95	-37.16
CCOC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583883	1	34	-1.0	-39.13	307.16	1.96	-37.17
CCCNC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004583884	0	34	-1.0	-51.21	291.69	-0.39	-51.60
CCCNC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004583884	1	34	-1.0	-51.23	291.75	-0.37	-51.60
CC(C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004583886	0	47	-1.0	-46.13	353.48	7.20	-38.93
CC(C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004583886	1	47	-1.0	-46.15	353.54	7.21	-38.94
O=C(NCC1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583887	0	39	-1.0	-52.09	318.15	6.64	-45.45
O=C(NCC1CC=CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583887	1	39	-1.0	-51.88	318.22	6.66	-45.22
O=C(NCC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583888	0	36	-1.0	-34.99	303.99	3.55	-31.44
O=C(NCC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583888	1	36	-1.0	-35.01	304.06	3.56	-31.45
CC(C)(C)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583889	0	38	-1.0	-46.81	308.93	1.66	-45.15
CC(C)(C)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583889	1	38	-1.0	-46.80	308.99	1.67	-45.13
CC(C)(C)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583890	0	38	-1.0	-36.47	319.52	1.45	-35.02
CC(C)(C)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583890	1	38	-1.0	-36.42	319.59	1.46	-34.96
CC(C)N(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004583892	0	38	-1.0	-47.76	308.83	5.10	-42.66
CC(C)N(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004583892	1	38	-1.0	-47.75	308.89	5.12	-42.63
O=C(CCCC1=N[N-]N=N1)NCCN1C=NC2=CC=CC=C21	REAL250004583893	0	38	-1.0	-55.19	327.93	5.06	-50.13
O=C(CCCC1=NN=N[N-]1)NCCN1C=NC2=CC=CC=C21	REAL250004583893	1	38	-1.0	-55.17	327.99	5.07	-50.10
CC1=CC=C(C(N)=O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583894	0	36	-1.0	-61.61	305.31	0.97	-60.64
CC1=CC=C(C(N)=O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583894	1	36	-1.0	-61.63	305.37	0.99	-60.64
O=C(CCCC1=NN=N[N-]1)NCCCNC1=NC=CC=N1	REAL250004583895	0	38	-1.0	-52.07	327.41	2.96	-49.11
O=C(CCCC1=N[N-]N=N1)NCCCNC1=NC=CC=N1	REAL250004583895	1	38	-1.0	-52.08	327.35	2.94	-49.14
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=NNC=C21	REAL250004583897	0	35	-1.0	-53.12	300.11	2.76	-50.36
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=NNC=C21	REAL250004583897	1	35	-1.0	-53.12	300.17	2.78	-50.34
CN(C)C(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583898	0	34	-1.0	-50.62	292.30	2.89	-47.73
CN(C)C(=O)NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583898	1	34	-1.0	-50.41	292.37	2.90	-47.51
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL250004583900	0	42	-1.0	-48.01	342.76	6.18	-41.83
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL250004583900	1	42	-1.0	-47.98	342.82	6.19	-41.79
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC)=N1	REAL250004583901	0	36	-1.0	-46.46	311.67	-1.05	-47.51
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC)=N1	REAL250004583901	1	36	-1.0	-46.48	311.62	-1.07	-47.55
O=C(CCCC1=N[N-]N=N1)NNC(=O)N1CCOCC1	REAL250004583903	0	36	-1.0	-51.42	295.96	-0.23	-51.65
O=C(CCCC1=NN=N[N-]1)NNC(=O)N1CCOCC1	REAL250004583903	1	36	-1.0	-51.47	296.01	-0.22	-51.69
CC(C)(C)OC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583905	0	42	-1.0	-49.00	345.69	0.23	-48.77
CC(C)(C)OC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583905	1	42	-1.0	-49.02	345.74	0.25	-48.77
COC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583906	0	34	-1.0	-51.77	302.62	3.18	-48.59
COC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583906	1	34	-1.0	-51.79	302.68	3.19	-48.60
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC=C21	REAL250004583907	0	34	-1.0	-46.00	292.97	2.66	-43.34
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC=C21	REAL250004583907	1	34	-1.0	-46.02	293.03	2.67	-43.35
CC(C)CC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583908	0	41	-1.0	-49.79	333.90	4.95	-44.84
CC(C)CC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583908	1	41	-1.0	-49.83	333.96	4.96	-44.87
CC(COCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004583909	0	35	-1.0	-48.20	313.15	1.91	-46.29
CC(COCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004583909	1	35	-1.0	-48.25	313.20	1.92	-46.33
CC(=O)NCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004583910	0	42	-1.0	-53.69	336.27	2.65	-51.04
CC(=O)NCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004583910	1	42	-1.0	-53.69	336.33	2.66	-51.03
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583911	0	35	-1.0	-48.27	306.25	0.12	-48.15
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583911	1	35	-1.0	-48.27	306.31	0.13	-48.14
N#CCCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004583912	0	36	-1.0	-53.28	313.63	4.94	-48.34
N#CCCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004583912	1	36	-1.0	-53.32	313.69	4.95	-48.37
CCN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583913	0	31	-1.0	-47.15	272.84	3.84	-43.31
CCN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583913	1	31	-1.0	-47.16	272.90	3.86	-43.30
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC(=O)NC1=O	REAL250004583914	0	35	-1.0	-54.51	295.00	0.42	-54.09
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC(=O)NC1=O	REAL250004583914	1	35	-1.0	-54.54	295.06	0.42	-54.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NC=CN2)C=C1	REAL250004583915	0	36	-1.0	-55.60	311.93	3.88	-51.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NC=CN2)C=C1	REAL250004583915	1	36	-1.0	-55.59	311.98	3.89	-51.70
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NC=CN1	REAL250004583916	0	39	-1.0	-52.66	310.59	3.46	-49.20
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NC=CN1	REAL250004583916	1	39	-1.0	-52.67	310.65	3.47	-49.20
CC1=NOC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583917	0	33	-1.0	-46.37	291.00	-0.16	-46.53
CC1=NOC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583917	1	33	-1.0	-46.43	291.06	-0.14	-46.57
O=C(CCCC1=N[N-]N=N1)NOC1CCCCO1	REAL250004583918	0	34	-1.0	-52.16	286.15	2.69	-49.47
O=C(CCCC1=NN=N[N-]1)NOC1CCCCO1	REAL250004583918	1	34	-1.0	-52.18	286.21	2.70	-49.48
O=C(NOC1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583919	0	34	-1.0	-38.09	296.74	2.49	-35.60
O=C(NOC1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583919	1	34	-1.0	-38.06	296.81	2.50	-35.56
COC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583921	0	32	-1.0	-52.65	277.85	2.48	-50.17
COC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583921	1	32	-1.0	-52.61	277.80	2.47	-50.14
COC1=CC=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583922	0	32	-1.0	-41.35	288.43	2.27	-39.08
COC1=CC=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583922	1	32	-1.0	-41.38	288.36	2.26	-39.12
NC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004583923	0	34	-1.0	-50.83	285.87	-0.89	-51.72
NC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004583923	1	34	-1.0	-50.81	285.92	-0.88	-51.69
CN(C)C1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004583925	0	40	-1.0	-46.99	332.58	3.31	-43.68
CN(C)C1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004583925	1	40	-1.0	-47.01	332.64	3.33	-43.68
COC1=CC=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583926	0	32	-1.0	-49.91	277.07	0.96	-48.95
COC1=CC=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583926	1	32	-1.0	-49.94	277.13	0.97	-48.97
COC1=CC=NC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583927	0	32	-1.0	-38.54	287.67	0.74	-37.80
COC1=CC=NC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583927	1	32	-1.0	-38.48	287.73	0.76	-37.72
C#CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004583928	0	34	-1.0	-51.37	304.42	5.17	-46.20
C#CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004583928	1	34	-1.0	-51.38	304.48	5.19	-46.19
CCCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583929	0	40	-1.0	-52.26	313.46	5.92	-46.34
CCCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583929	1	40	-1.0	-52.07	313.52	5.94	-46.13
CCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583930	0	37	-1.0	-35.01	299.30	2.82	-32.19
CCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583930	1	37	-1.0	-34.97	299.37	2.83	-32.14
CCC(CC)(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004583931	0	38	-1.0	-54.76	301.29	-0.50	-55.26
CCC(CC)(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004583931	1	38	-1.0	-54.81	301.35	-0.48	-55.29
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004583932	0	39	-1.0	-47.03	321.14	2.01	-45.02
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004583932	1	39	-1.0	-47.04	321.20	2.02	-45.02
N#CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004583933	0	36	-1.0	-42.89	301.69	6.43	-36.46
N#CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004583933	1	36	-1.0	-42.75	301.80	6.43	-36.32
N#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004583934	0	33	-1.0	-39.48	285.07	4.09	-35.39
N#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004583934	1	33	-1.0	-39.45	285.14	4.10	-35.35
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=CC=CN=C21	REAL250004583935	0	37	-1.0	-51.30	319.24	3.98	-47.32
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=CC=CN=C21	REAL250004583935	1	37	-1.0	-51.31	319.19	3.97	-47.34
CCCN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583936	0	34	-1.0	-51.32	285.74	4.37	-46.95
CCCN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583936	1	34	-1.0	-51.32	285.80	4.38	-46.94
CCCN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583937	0	34	-1.0	-39.12	294.91	5.19	-33.93
CCCN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583937	1	34	-1.0	-39.12	294.98	5.20	-33.92
O=C(CCCC1=N[N-]N=N1)NNC(=O)C(=O)N1CCCC1	REAL250004583938	0	37	-1.0	-48.67	316.31	-0.05	-48.72
O=C(CCCC1=NN=N[N-]1)NNC(=O)C(=O)N1CCCC1	REAL250004583938	1	37	-1.0	-48.73	316.37	-0.03	-48.76
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004583940	0	41	-1.0	-46.25	315.09	6.02	-40.23
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004583940	1	41	-1.0	-46.28	315.15	6.03	-40.25
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004583941	0	38	-1.0	-47.63	319.59	3.84	-43.79
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004583941	1	38	-1.0	-47.67	319.65	3.86	-43.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=C1Cl	REAL250004583942	0	35	-1.0	-49.05	313.26	4.62	-44.43
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=C1Cl	REAL250004583942	1	35	-1.0	-49.07	313.32	4.63	-44.44
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004583943	0	36	-1.0	-54.75	301.09	3.43	-51.32
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004583943	1	36	-1.0	-54.70	301.03	3.41	-51.29
CC(C)NC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004583944	0	34	-1.0	-51.54	290.81	-0.33	-51.87
CC(C)NC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004583944	1	34	-1.0	-51.51	290.87	-0.32	-51.83
CCN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004583946	0	34	-1.0	-47.25	296.87	4.64	-42.61
CCN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004583946	1	34	-1.0	-47.25	296.92	4.66	-42.59
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004583947	0	38	-1.0	-45.73	305.37	4.76	-40.97
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004583947	1	38	-1.0	-45.77	305.43	4.78	-40.99
N#CC1=CC=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004583948	0	34	-1.0	-48.30	312.69	2.60	-45.70
N#CC1=CC=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004583948	1	34	-1.0	-48.28	312.75	2.62	-45.66
CN1N=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583949	0	32	-1.0	-54.39	277.78	4.93	-49.46
CN1N=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583949	1	32	-1.0	-54.22	278.26	4.91	-49.31
CN1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583950	0	29	-1.0	-36.32	264.09	1.80	-34.52
CN1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583950	1	29	-1.0	-36.41	264.02	1.79	-34.62
CCCCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583951	0	38	-1.0	-48.97	318.22	4.44	-44.53
CCCCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583951	1	38	-1.0	-48.99	318.16	4.43	-44.56
CC(C)N(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004583952	0	35	-1.0	-48.87	291.02	4.37	-44.50
CC(C)N(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004583952	1	35	-1.0	-48.87	291.08	4.39	-44.48
CC(C)N(CCC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583953	0	38	-1.0	-56.61	308.11	6.54	-50.07
CC(C)N(CCC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583953	1	38	-1.0	-55.49	307.04	6.69	-48.80
CC(C)N(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583954	0	35	-1.0	-39.22	296.82	5.07	-34.15
CC(C)N(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583954	1	35	-1.0	-39.18	296.88	5.06	-34.12
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004583955	0	40	-1.0	-46.11	306.12	5.15	-40.96
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004583955	1	40	-1.0	-46.09	306.18	5.17	-40.92
CC(C)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004583956	0	40	-1.0	-35.85	311.02	5.78	-30.07
CC(C)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004583956	1	40	-1.0	-35.83	311.09	5.78	-30.05
CCCC(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583957	0	35	-1.0	-55.63	305.97	5.57	-50.06
CCCC(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583957	1	35	-1.0	-55.38	306.04	5.59	-49.79
CCCC(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583958	0	32	-1.0	-37.68	291.82	2.46	-35.22
CCCC(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583958	1	32	-1.0	-37.71	291.88	2.48	-35.23
CCC(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583959	0	32	-1.0	-54.87	284.47	4.80	-50.07
CCC(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583959	1	32	-1.0	-54.68	284.54	4.83	-49.85
CCC(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583960	0	29	-1.0	-38.00	270.32	1.70	-36.30
CCC(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583960	1	29	-1.0	-37.99	270.39	1.71	-36.28
CCC(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583961	0	37	-1.0	-38.46	296.00	6.80	-31.66
CCC(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583961	1	37	-1.0	-38.31	296.11	6.82	-31.49
CCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583962	0	34	-1.0	-35.89	281.70	4.57	-31.32
CCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583962	1	34	-1.0	-35.84	281.77	4.58	-31.26
CN1C=CSC1=NC(=O)CCCC1=N[N-]N=N1	REAL250004583963	0	28	-1.0	-51.74	259.38	2.55	-49.19
CN1C=CSC1=NC(=O)CCCC1=NN=N[N-]1	REAL250004583963	1	28	-1.0	-51.78	259.44	2.57	-49.21
CN1C=CSC1=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583964	0	28	-1.0	-45.19	270.67	2.33	-42.86
CN1C=CSC1=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583964	1	28	-1.0	-45.15	270.73	2.34	-42.81
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCCC1	REAL250004583965	0	42	-1.0	-46.58	340.89	3.36	-43.22
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCCC1	REAL250004583965	1	42	-1.0	-46.58	340.94	3.37	-43.21
O=C(NC1=CC=CNC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583966	0	32	-1.0	-69.64	283.20	4.32	-65.32
O=C(NC1=CC=CNC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583966	1	32	-1.0	-69.39	283.30	4.33	-65.06
O=C(NC1=CC=CNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583967	0	29	-1.0	-49.66	269.39	1.20	-48.46
O=C(NC1=CC=CNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583967	1	29	-1.0	-49.62	269.46	1.22	-48.40
C=C(Br)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583969	0	26	-1.0	-45.45	253.31	1.64	-43.81
C=C(Br)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583969	1	26	-1.0	-45.45	253.37	1.66	-43.79
CCOC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004583970	0	41	-1.0	-55.04	327.87	6.10	-48.94
CCOC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004583970	1	41	-1.0	-55.05	327.93	6.11	-48.94
CSC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004583971	0	29	-1.0	-51.90	273.41	3.33	-48.57
CSC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004583971	1	29	-1.0	-51.91	273.47	3.35	-48.56
O=C(CCCC1=N[N-]N=N1)NC1CCCNC1=O	REAL250004583972	0	33	-1.0	-57.50	276.17	-0.65	-58.15
O=C(CCCC1=NN=N[N-]1)NC1CCCNC1=O	REAL250004583972	1	33	-1.0	-57.46	276.23	-0.64	-58.10
O=C(NC1CCCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583973	0	33	-1.0	-44.37	286.84	-0.91	-45.28
O=C(NC1CCCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583973	1	33	-1.0	-44.33	286.90	-0.91	-45.24
COCCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004583974	0	38	-1.0	-40.47	314.63	5.06	-35.41
COCCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004583974	1	38	-1.0	-40.36	314.73	5.08	-35.28
COCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583975	0	35	-1.0	-37.54	300.12	2.81	-34.73
COCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583975	1	35	-1.0	-37.55	300.20	2.84	-34.71
COCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583976	0	38	-1.0	-47.64	317.34	1.86	-45.78
COCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583976	1	38	-1.0	-47.66	317.40	1.87	-45.79
COCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583977	0	38	-1.0	-36.48	327.93	1.65	-34.83
COCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583977	1	38	-1.0	-36.45	328.00	1.66	-34.79
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OCCC2=C1	REAL250004583978	0	34	-1.0	-50.18	289.19	3.19	-46.99
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OCCC2=C1	REAL250004583978	1	34	-1.0	-50.23	289.25	3.21	-47.02
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=CC1=O	REAL250004583979	0	38	-1.0	-56.92	325.89	3.32	-53.60
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=CC1=O	REAL250004583979	1	38	-1.0	-56.89	325.95	3.33	-53.56
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004583980	0	39	-1.0	-46.86	328.66	3.52	-43.34
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004583980	1	39	-1.0	-46.86	328.72	3.54	-43.32
CC(C1=CC=CC=N1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583983	0	37	-1.0	-47.89	305.30	4.96	-42.93
CC(C1=CC=CC=N1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583983	1	37	-1.0	-47.84	305.36	4.98	-42.86
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004583984	0	34	-1.0	-46.92	292.98	2.73	-44.19
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004583984	1	34	-1.0	-46.94	293.04	2.74	-44.20
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004583985	0	34	-1.0	-38.35	303.56	2.53	-35.82
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004583985	1	34	-1.0	-38.28	303.63	2.54	-35.74
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1C1CCCC21	REAL250004583986	0	43	-1.0	-47.15	325.62	5.14	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1C1CCCC21	REAL250004583986	1	43	-1.0	-47.20	325.68	5.15	-42.05
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004583987	0	35	-1.0	-51.00	292.35	4.09	-46.91
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004583987	1	35	-1.0	-51.01	292.41	4.11	-46.90
CC1=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL250004583988	0	35	-1.0	-37.92	304.99	5.13	-32.79
CC1=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL250004583988	1	35	-1.0	-37.91	305.06	5.13	-32.78
CC(C1=CC=NC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583989	0	37	-1.0	-49.45	300.99	4.02	-45.43
CC(C1=CC=NC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583989	1	37	-1.0	-49.49	301.05	4.04	-45.45
NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004583990	0	39	-1.0	-54.71	307.04	0.35	-54.36
NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004583990	1	39	-1.0	-54.75	307.10	0.37	-54.38
CN(C)C1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583991	0	36	-1.0	-46.02	299.00	2.71	-43.31
CN(C)C1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583991	1	36	-1.0	-46.03	299.06	2.72	-43.31
CC1=CC(C(N)=O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583992	0	36	-1.0	-50.25	306.16	1.03	-49.22
CC1=CC(C(N)=O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583992	1	36	-1.0	-50.22	306.22	1.05	-49.17
CC(C1CC1)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583993	0	39	-1.0	-45.40	306.39	5.97	-39.43
CC(C1CC1)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583993	1	39	-1.0	-45.48	306.44	5.99	-39.49
CC(C1CC1)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583994	0	39	-1.0	-35.49	313.79	6.67	-28.82
CC(C1CC1)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583994	1	39	-1.0	-35.47	313.86	6.69	-28.78
COC1=CC(C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004583995	0	36	-1.0	-47.89	302.41	3.46	-44.43
COC1=CC(C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004583995	1	36	-1.0	-47.93	302.47	3.47	-44.46
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=CO1	REAL250004583996	0	35	-1.0	-52.37	305.30	5.12	-47.25
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=CO1	REAL250004583996	1	35	-1.0	-52.13	305.40	5.15	-46.98
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL250004583997	0	32	-1.0	-36.39	291.52	2.02	-34.37
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL250004583997	1	32	-1.0	-36.40	291.59	2.02	-34.38
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC(=O)N2)CC1	REAL250004583998	0	37	-1.0	-51.23	301.73	0.78	-50.45
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC(=O)N2)CC1	REAL250004583998	1	37	-1.0	-51.26	301.79	0.79	-50.47
CC(C1=CC=CN=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004583999	0	37	-1.0	-49.35	302.55	4.22	-45.13
CC(C1=CC=CN=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004583999	1	37	-1.0	-49.35	302.50	4.20	-45.15
O=C(CCCC1=N[N-]N=N1)NCC1CCCCO1	REAL250004584000	0	36	-1.0	-46.73	294.04	1.63	-45.10
O=C(CCCC1=NN=N[N-]1)NCC1CCCCO1	REAL250004584000	1	36	-1.0	-46.71	294.10	1.64	-45.07
O=C(NCC1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584001	0	36	-1.0	-36.21	304.94	1.36	-34.85
O=C(NCC1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584001	1	36	-1.0	-36.15	305.01	1.36	-34.79
CN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004584002	0	35	-1.0	-54.95	289.88	6.65	-48.30
CN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004584002	1	35	-1.0	-53.72	289.86	6.71	-47.01
CN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584003	0	32	-1.0	-35.60	276.63	4.55	-31.05
CN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584003	1	32	-1.0	-35.57	276.70	4.56	-31.01
CCN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004584004	0	39	-1.0	-50.65	312.19	4.25	-46.40
CCN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004584004	1	39	-1.0	-50.62	312.25	4.27	-46.35
CC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004584005	0	38	-1.0	-49.34	313.56	6.29	-43.05
CC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004584005	1	38	-1.0	-49.31	313.62	6.30	-43.01
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CS1	REAL250004584006	0	31	-1.0	-50.12	285.37	1.37	-48.75
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CS1	REAL250004584006	1	31	-1.0	-50.16	285.43	1.39	-48.77
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004584007	0	42	-1.0	-48.49	319.29	5.20	-43.29
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004584007	1	42	-1.0	-48.50	319.34	5.21	-43.29
C#CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004584008	0	31	-1.0	-47.18	283.91	-0.54	-47.72
C#CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004584008	1	31	-1.0	-47.13	283.97	-0.53	-47.66
C#CCNC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004584009	0	34	-1.0	-51.24	308.67	2.34	-48.90
C#CCNC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004584009	1	34	-1.0	-51.08	308.73	2.36	-48.72
C#CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584010	0	31	-1.0	-39.89	294.51	-0.76	-40.65
C#CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584010	1	31	-1.0	-39.86	294.58	-0.74	-40.60
CC1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004584011	0	35	-1.0	-53.22	300.81	2.85	-50.37
CC1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004584011	1	35	-1.0	-53.27	300.87	2.86	-50.41
CC1=NC=CN1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584012	0	35	-1.0	-39.99	311.40	2.64	-37.35
CC1=NC=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584012	1	35	-1.0	-39.99	311.47	2.65	-37.34
CN(CC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004584013	0	29	-1.0	-43.55	258.81	4.98	-38.57
CN(CC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004584013	1	29	-1.0	-43.36	258.91	5.00	-38.36
O=C(CCCC1=N[N-]N=N1)N(C1CC1)C1CC(=O)NC1=O	REAL250004584014	0	36	-1.0	-52.26	292.84	0.92	-51.34
O=C(CCCC1=NN=N[N-]1)N(C1CC1)C1CC(=O)NC1=O	REAL250004584014	1	36	-1.0	-52.20	292.90	0.93	-51.27
CN(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004584015	0	40	-1.0	-47.07	331.60	3.89	-43.18
CN(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004584015	1	40	-1.0	-47.08	331.66	3.91	-43.17
CCCN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004584016	0	34	-1.0	-47.77	292.30	4.51	-43.26
CCCN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004584016	1	34	-1.0	-47.81	292.36	4.53	-43.28
CN(C(=O)CCCC1=N[N-]N=N1)C(C1CC1)C1CC1	REAL250004584017	0	39	-1.0	-48.04	317.23	6.19	-41.85
CN(C(=O)CCCC1=NN=N[N-]1)C(C1CC1)C1CC1	REAL250004584017	1	39	-1.0	-48.02	317.29	6.21	-41.81
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C1CC1)C1CC1	REAL250004584018	0	39	-1.0	-36.05	319.26	6.85	-29.20
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C1CC1)C1CC1	REAL250004584018	1	39	-1.0	-35.98	319.33	6.85	-29.13
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=N1	REAL250004584019	0	28	-1.0	-47.76	263.70	0.46	-47.30
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=N1	REAL250004584019	1	28	-1.0	-47.82	263.76	0.47	-47.35
O=C(NCC1=CSC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584020	0	28	-1.0	-37.38	274.29	0.24	-37.14
O=C(NCC1=CSC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584020	1	28	-1.0	-37.34	274.36	0.25	-37.09
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=NC=N2)CC1	REAL250004584021	0	38	-1.0	-51.51	311.45	5.58	-45.93
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=NC=N2)CC1	REAL250004584021	1	38	-1.0	-51.50	311.39	5.57	-45.93
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CN=C2)CC1	REAL250004584022	0	39	-1.0	-51.40	317.05	5.80	-45.60
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CN=C2)CC1	REAL250004584022	1	39	-1.0	-51.40	317.11	5.81	-45.59
CC(N(C)C(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004584023	0	40	-1.0	-45.58	298.74	4.90	-40.68
CC(N(C)C(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004584023	1	40	-1.0	-45.58	298.80	4.91	-40.67
CC(N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004584024	0	40	-1.0	-35.87	306.74	5.46	-30.41
CC(N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004584024	1	40	-1.0	-35.84	306.81	5.47	-30.37
CCOCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004584025	0	38	-1.0	-51.48	318.32	4.35	-47.13
CCOCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004584025	1	38	-1.0	-51.34	318.39	4.37	-46.97
CCOCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584026	0	35	-1.0	-35.94	304.17	1.25	-34.69
CCOCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584026	1	35	-1.0	-35.92	304.23	1.26	-34.66
CC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004584028	0	39	-1.0	-50.36	316.52	1.96	-48.40
CC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004584028	1	39	-1.0	-50.38	316.58	1.97	-48.41
CC(CN1C=NC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004584029	0	34	-1.0	-53.89	295.05	4.19	-49.70
CC(CN1C=NC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004584029	1	34	-1.0	-53.89	294.99	4.18	-49.71
CC(CN1C=NC=N1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584030	0	34	-1.0	-43.59	307.44	3.52	-40.07
CC(CN1C=NC=N1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004584030	1	34	-1.0	-43.64	307.38	3.50	-40.14
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CC(=O)C1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584137	1	33	-1.0	-58.30	298.86	3.25	-55.05
O=C(CC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584138	0	36	-1.0	-46.17	294.02	5.21	-40.96
O=C(CC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584138	1	36	-1.0	-46.11	294.35	5.19	-40.92
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL250004584139	0	33	-1.0	-45.07	289.83	4.52	-40.55
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004584139	1	33	-1.0	-45.07	289.86	4.51	-40.56
CC1=NN(C)C(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584140	0	36	-1.0	-47.59	313.94	3.64	-43.95
CC1=NN(C)C(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584140	1	36	-1.0	-47.59	313.98	3.63	-43.96
CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584141	0	33	-1.0	-43.78	288.51	5.66	-38.12
CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584141	1	33	-1.0	-43.80	288.55	5.65	-38.15
CCOC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584142	0	34	-1.0	-46.70	302.49	0.62	-46.08
CCOC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584142	1	34	-1.0	-46.68	302.53	0.61	-46.07
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004584143	0	33	-1.0	-44.11	294.11	4.51	-39.60
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004584143	1	33	-1.0	-44.04	294.16	4.51	-39.53
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CCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004584146	0	36	-1.0	-45.71	314.22	3.44	-42.27
CCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004584146	1	36	-1.0	-45.68	314.27	3.44	-42.24
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CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004584148	0	32	-1.0	-45.90	283.11	3.73	-42.17
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584148	1	32	-1.0	-45.87	283.16	3.73	-42.14
CN1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584149	0	31	-1.0	-45.63	271.31	4.35	-41.28
CN1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584149	1	31	-1.0	-45.67	271.35	4.34	-41.33
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(C2CC2)=C1	REAL250004584150	1	33	-1.0	-43.03	298.83	4.56	-38.47
CC1=NOC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004584151	0	34	-1.0	-47.79	304.11	1.97	-45.82
CC1=NOC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004584151	1	34	-1.0	-47.79	304.15	1.97	-45.82
CC1=C(C)SC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584152	0	33	-1.0	-44.88	298.74	5.24	-39.64
CC1=C(C)SC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584152	1	33	-1.0	-44.89	298.79	5.24	-39.65
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004584153	0	33	-1.0	-47.36	287.11	3.14	-44.22
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004584153	1	33	-1.0	-47.38	287.15	3.13	-44.25
CCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584154	0	35	-1.0	-46.03	295.62	4.92	-41.11
CCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584154	1	35	-1.0	-46.05	295.66	4.91	-41.14
CC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584155	0	35	-1.0	-45.09	284.30	4.47	-40.62
CC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584155	1	35	-1.0	-45.08	284.34	4.46	-40.62
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COC1=NC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584159	0	33	-1.0	-51.40	291.58	2.78	-48.62
COC1=NC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584159	1	33	-1.0	-51.41	291.54	2.79	-48.62
CCCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584160	0	36	-1.0	-48.00	318.36	5.50	-42.50
CCCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584160	1	36	-1.0	-48.02	318.40	5.49	-42.53
CCCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584161	0	41	-1.0	-45.95	338.62	6.48	-39.47
CCCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584161	1	41	-1.0	-45.95	338.66	6.47	-39.48
CCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584162	0	38	-1.0	-46.01	317.12	5.70	-40.31
CCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584162	1	38	-1.0	-46.01	317.16	5.69	-40.32
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CC(C)SCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584165	0	33	-1.0	-47.98	293.92	4.54	-43.44
CC(C)SCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584165	1	33	-1.0	-47.99	293.97	4.53	-43.46
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004584166	0	32	-1.0	-45.41	285.33	3.79	-41.62
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004584166	1	32	-1.0	-45.38	285.37	3.78	-41.60
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CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1O	REAL250004584168	0	34	-1.0	-48.45	295.42	4.05	-44.40
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1O	REAL250004584168	1	34	-1.0	-48.49	295.47	4.05	-44.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2CC2)=C1	REAL250004584169	0	34	-1.0	-45.35	303.20	3.49	-41.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2CC2)=C1	REAL250004584169	1	34	-1.0	-45.38	303.24	3.48	-41.90
CC1=CC=C(O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584170	0	34	-1.0	-47.95	296.80	4.01	-43.94
CC1=CC=C(O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584170	1	34	-1.0	-47.95	296.76	4.01	-43.94
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1O	REAL250004584171	0	34	-1.0	-48.46	297.58	2.78	-45.68
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1O	REAL250004584171	1	34	-1.0	-48.48	297.63	2.78	-45.70
CN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004584172	0	33	-1.0	-57.35	291.69	3.70	-53.65
CN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004584172	1	33	-1.0	-57.32	291.73	3.70	-53.62
N#CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584173	0	28	-1.0	-56.10	274.71	3.66	-52.44
N#CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584173	1	28	-1.0	-56.12	274.75	3.65	-52.47
CS(=O)(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584174	0	32	-1.0	-52.31	294.47	0.16	-52.15
CS(=O)(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584174	1	32	-1.0	-52.33	294.51	0.15	-52.18
CN1N=CC=C1C=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584175	0	34	-1.0	-48.73	302.15	3.72	-45.01
CN1N=CC=C1C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584175	1	34	-1.0	-48.72	302.19	3.71	-45.01
CNC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584176	0	35	-1.0	-45.22	295.98	4.09	-41.13
CNC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584176	1	35	-1.0	-45.24	296.01	4.09	-41.15
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=N1	REAL250004584177	0	33	-1.0	-50.54	290.16	3.46	-47.08
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=N1	REAL250004584177	1	33	-1.0	-50.54	290.12	3.48	-47.06
CCC1=NNC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584178	0	33	-1.0	-49.84	288.21	2.65	-47.19
CCC1=NNC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584178	1	33	-1.0	-49.86	288.26	2.65	-47.21
O=C(CN1C=NC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584179	0	29	-1.0	-56.89	266.14	4.44	-52.45
O=C(CN1C=NC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584179	1	29	-1.0	-56.80	266.10	4.45	-52.35
CC(C)OCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584180	0	36	-1.0	-45.16	306.64	3.38	-41.78
CC(C)OCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584180	1	36	-1.0	-45.20	306.68	3.38	-41.82
O=C(CN1C=CC=NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584181	0	32	-1.0	-62.38	290.25	2.04	-60.34
O=C(CN1C=CC=NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584181	1	32	-1.0	-62.40	290.29	2.03	-60.37
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004584182	0	33	-1.0	-46.00	292.74	2.66	-43.34
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004584182	1	33	-1.0	-46.02	292.79	2.65	-43.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COCCO1	REAL250004584183	0	32	-1.0	-48.34	275.72	1.91	-46.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COCCO1	REAL250004584183	1	32	-1.0	-48.18	275.55	1.88	-46.30
COC(=O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584184	0	29	-1.0	-54.50	263.07	3.45	-51.05
COC(=O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584184	1	29	-1.0	-54.50	263.11	3.44	-51.06
O=C(CCC1CCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584185	0	37	-1.0	-46.04	309.03	3.69	-42.35
O=C(CCC1CCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584185	1	37	-1.0	-46.12	308.79	3.69	-42.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=C1	REAL250004584186	0	27	-1.0	-47.36	249.31	1.36	-46.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=C1	REAL250004584186	1	27	-1.0	-47.32	249.35	1.35	-45.97
COCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584187	0	34	-1.0	-47.97	309.04	2.99	-44.98
COCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584187	1	34	-1.0	-48.00	309.08	2.99	-45.01
CC(=O)N(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584188	0	33	-1.0	-56.05	287.47	2.61	-53.44
CC(=O)N(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584188	1	33	-1.0	-56.03	287.52	2.60	-53.43
CCC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584189	0	35	-1.0	-45.10	284.05	4.82	-40.28
CCC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584189	1	35	-1.0	-45.11	284.08	4.81	-40.30
CN1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1=O	REAL250004584190	0	34	-1.0	-49.82	293.68	2.46	-47.36
CN1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1=O	REAL250004584190	1	34	-1.0	-49.83	293.72	2.45	-47.38
CC1=NNC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584191	0	30	-1.0	-50.06	266.42	1.95	-48.11
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COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004584193	0	33	-1.0	-48.24	293.94	1.61	-46.63
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004584193	1	33	-1.0	-48.24	293.90	1.62	-46.62
CCCCC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584194	0	41	-1.0	-45.09	328.24	6.41	-38.68
CCCCC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584194	1	41	-1.0	-45.06	328.32	6.42	-38.64
COC(=O)N(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584195	0	34	-1.0	-53.58	301.37	2.58	-51.00
COC(=O)N(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584195	1	34	-1.0	-53.58	301.41	2.57	-51.01
CCC(=O)NC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584196	0	36	-1.0	-46.16	309.42	1.92	-44.24
CCC(=O)NC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584196	1	36	-1.0	-46.15	309.47	1.92	-44.23
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CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=N1	REAL250004584198	0	29	-1.0	-45.20	270.38	2.69	-42.51
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=N1	REAL250004584198	1	29	-1.0	-45.18	270.41	2.69	-42.49
CCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584199	0	36	-1.0	-48.99	308.15	3.39	-45.60
CCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584199	1	36	-1.0	-48.98	308.19	3.39	-45.59
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O=C(CC1CCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584201	1	34	-1.0	-50.02	286.97	3.54	-46.48
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)S(C)(=O)=O	REAL250004584202	0	32	-1.0	-62.43	289.76	0.36	-62.07
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)S(C)(=O)=O	REAL250004584202	1	32	-1.0	-62.38	289.81	0.35	-62.03
CC1=CNC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584203	0	31	-1.0	-51.16	272.22	3.46	-47.70
CC1=CNC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584203	1	31	-1.0	-51.19	272.25	3.45	-47.74
CSC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584204	0	30	-1.0	-48.03	272.62	3.59	-44.44
CSC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584204	1	30	-1.0	-48.02	272.67	3.58	-44.44
CCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584205	0	33	-1.0	-48.68	284.46	3.56	-45.12
CCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584205	1	33	-1.0	-48.70	284.51	3.57	-45.13
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1	REAL250004584206	1	27	-1.0	-47.19	248.67	1.33	-45.86
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004584207	0	32	-1.0	-60.33	290.63	-0.55	-60.88
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004584207	1	32	-1.0	-60.32	290.67	-0.55	-60.87
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004584208	0	36	-1.0	-47.20	309.44	3.87	-43.33
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004584208	1	36	-1.0	-47.22	309.48	3.86	-43.36
CC(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004584209	0	36	-1.0	-45.35	311.79	3.29	-42.06
CC(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004584209	1	36	-1.0	-45.36	311.83	3.28	-42.08
CCOC(=O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584210	0	32	-1.0	-54.39	284.93	4.36	-50.03
CCOC(=O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584210	1	32	-1.0	-54.39	284.98	4.36	-50.03
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CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC1=O	REAL250004584212	0	33	-1.0	-48.84	290.95	3.72	-45.12
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC1=O	REAL250004584212	1	33	-1.0	-48.84	291.00	3.70	-45.14
CC(C)(C#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584213	0	30	-1.0	-52.29	268.69	3.39	-48.90
CC(C)(C#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584213	1	30	-1.0	-52.22	268.74	3.38	-48.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(=O)NC1	REAL250004584215	0	34	-1.0	-49.94	288.99	1.14	-48.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(=O)NC1	REAL250004584215	1	34	-1.0	-49.91	289.03	1.14	-48.77
COCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584216	0	33	-1.0	-48.99	286.30	2.43	-46.56
COCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584216	1	33	-1.0	-48.99	286.34	2.42	-46.57
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC2=C1CCC2	REAL250004584217	1	34	-1.0	-47.23	294.63	3.22	-44.01
CC(F)(F)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584218	0	32	-1.0	-44.58	284.95	4.27	-40.31
CC(F)(F)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584218	1	32	-1.0	-44.60	284.99	4.27	-40.33
O=C(COC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584219	0	37	-1.0	-49.25	310.65	4.89	-44.36
O=C(COC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584219	1	37	-1.0	-49.27	310.69	4.88	-44.39
CC1=NC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584220	0	31	-1.0	-44.77	273.03	3.59	-41.18
CC1=NC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584220	1	31	-1.0	-44.83	273.07	3.58	-41.25
CCC1=NC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584221	0	34	-1.0	-44.64	291.64	4.27	-40.37
CCC1=NC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584221	1	34	-1.0	-44.67	291.69	4.26	-40.41
C=CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584222	0	31	-1.0	-48.38	288.17	4.48	-43.90
C=CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584222	1	31	-1.0	-48.36	288.22	4.47	-43.89
CCOC1CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584223	0	34	-1.0	-44.34	296.91	3.27	-41.07
CCOC1CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584223	1	34	-1.0	-44.32	296.96	3.26	-41.06
CC1=NC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004584224	0	31	-1.0	-43.54	280.58	2.94	-40.60
CC1=NC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004584224	1	31	-1.0	-43.52	280.63	2.94	-40.58
CCSCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584225	0	33	-1.0	-44.82	297.03	4.72	-40.10
CCSCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584225	1	33	-1.0	-44.81	297.08	4.72	-40.09
COC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584226	0	31	-1.0	-46.94	280.62	-0.31	-47.25
COC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584226	1	31	-1.0	-46.93	280.67	-0.32	-47.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])N1	REAL250004584227	0	30	-1.0	-44.46	284.06	4.32	-40.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])N1	REAL250004584227	1	30	-1.0	-44.49	284.10	4.33	-40.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NSN=C1	REAL250004584228	0	25	-1.0	-42.45	247.51	0.85	-41.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NSN=C1	REAL250004584228	1	25	-1.0	-42.41	247.47	0.87	-41.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=NS1	REAL250004584229	0	25	-1.0	-44.38	248.83	1.49	-42.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=NS1	REAL250004584229	1	25	-1.0	-44.36	248.79	1.50	-42.86
CC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004584230	0	35	-1.0	-50.68	307.56	4.40	-46.28
CC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584230	1	35	-1.0	-50.72	307.33	4.40	-46.32
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)N1	REAL250004584231	0	33	-1.0	-52.12	289.91	2.71	-49.41
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)N1	REAL250004584231	1	33	-1.0	-52.11	289.96	2.71	-49.40
CCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584232	0	33	-1.0	-48.04	296.86	4.72	-43.32
CCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584232	1	33	-1.0	-48.06	296.91	4.71	-43.35
CC(=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004584233	0	34	-1.0	-44.68	287.99	5.36	-39.32
CC(=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004584233	1	34	-1.0	-44.64	288.04	5.35	-39.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC=C1	REAL250004584234	0	26	-1.0	-45.14	244.97	2.15	-42.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC=C1	REAL250004584234	1	26	-1.0	-45.16	244.93	2.16	-43.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CS1	REAL250004584235	0	26	-1.0	-45.80	253.69	2.05	-43.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CS1	REAL250004584235	1	26	-1.0	-45.79	253.37	2.07	-43.72
O=C(C=C(C1CC1)C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584236	0	38	-1.0	-44.71	312.11	6.53	-38.18
O=C(C=C(C1CC1)C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584236	1	38	-1.0	-44.74	312.17	6.52	-38.22
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004584237	0	30	-1.0	-46.40	271.24	1.91	-44.49
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004584237	1	30	-1.0	-46.39	271.28	1.92	-44.47
CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004584238	0	33	-1.0	-54.24	293.24	3.67	-50.57
CC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004584238	1	33	-1.0	-54.21	293.19	3.68	-50.53
O=C(C=C1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584239	0	34	-1.0	-45.66	286.23	5.22	-40.44
O=C(C=C1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584239	1	34	-1.0	-45.68	286.55	5.20	-40.48
CC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584240	0	33	-1.0	-45.36	288.66	3.23	-42.13
CC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584240	1	33	-1.0	-45.36	288.70	3.22	-42.14
CN1C=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584241	0	36	-1.0	-49.26	315.39	4.15	-45.11
CN1C=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004584241	1	36	-1.0	-49.28	315.35	4.16	-45.12
CCC=C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584242	0	33	-1.0	-45.47	279.74	4.61	-40.86
CCC=C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584242	1	33	-1.0	-45.49	279.78	4.60	-40.89
CC1=CN(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004584243	0	36	-1.0	-46.47	315.44	4.22	-42.25
CC1=CN(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004584243	1	36	-1.0	-46.47	315.40	4.23	-42.24
CC(C)COC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584244	0	39	-1.0	-48.50	326.06	5.04	-43.46
CC(C)COC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584244	1	39	-1.0	-48.50	326.11	5.05	-43.45
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004584245	0	37	-1.0	-44.93	307.53	4.95	-39.98
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CCCCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584273	0	39	-1.0	-48.56	327.45	5.14	-43.42
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NC(=O)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584276	1	33	-1.0	-58.09	290.35	0.20	-57.89
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CCC(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584281	1	33	-1.0	-47.42	285.01	3.43	-43.99
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CCCC1=NNC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584284	0	36	-1.0	-49.83	309.71	3.43	-46.40
CCCC1=NNC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584284	1	36	-1.0	-49.88	309.75	3.42	-46.46
CCCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1	REAL250004584284	1	36	-1.0	-46.11	309.55	3.42	-42.69
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CN1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584286	0	33	-1.0	-52.23	294.00	3.36	-48.87
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CCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584289	0	35	-1.0	-45.46	283.53	4.32	-41.14
CCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584289	1	35	-1.0	-45.47	283.57	4.31	-41.16
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COC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584291	0	33	-1.0	-47.24	283.94	3.13	-44.11
COC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584291	1	33	-1.0	-47.27	283.98	3.11	-44.16
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL250004584292	0	37	-1.0	-46.22	296.22	3.15	-43.07
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL250004584292	1	37	-1.0	-46.22	296.26	3.14	-43.08
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004584293	0	36	-1.0	-45.50	291.75	5.06	-40.44
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004584293	1	36	-1.0	-45.48	291.79	5.05	-40.43
CC1CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004584294	0	42	-1.0	-45.94	331.81	6.45	-39.49
CC1CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004584294	1	42	-1.0	-45.95	331.85	6.44	-39.51
CC(=O)NC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584295	0	36	-1.0	-46.66	301.83	1.78	-44.88
CC(=O)NC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584295	1	36	-1.0	-47.21	301.56	1.78	-45.43
CCCC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584296	0	38	-1.0	-45.73	308.79	5.38	-40.35
CCCC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584296	1	38	-1.0	-45.76	308.83	5.37	-40.39
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CCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584298	0	33	-1.0	-45.21	286.36	2.64	-42.57
CCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584298	1	33	-1.0	-45.22	286.40	2.63	-42.59
CC(C)CC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584299	0	41	-1.0	-45.70	326.23	5.87	-39.83
CC(C)CC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584299	1	41	-1.0	-45.70	325.98	5.88	-39.82
CNC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584300	0	34	-1.0	-48.33	295.33	1.87	-46.46
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CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=N1	REAL250004584414	0	29	-1.0	-45.19	263.18	0.24	-44.95
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=N1	REAL250004584414	1	29	-1.0	-45.18	263.22	0.23	-44.95
CN1CCCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584415	0	38	-1.0	-45.67	305.69	2.69	-42.98
CN1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584415	1	38	-1.0	-45.64	305.73	2.68	-42.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCCC21	REAL250004584416	0	34	-1.0	-45.52	279.58	5.34	-40.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCCC21	REAL250004584416	1	34	-1.0	-45.49	279.62	5.33	-40.16
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004584417	0	33	-1.0	-45.36	280.88	4.74	-40.62
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004584417	1	33	-1.0	-45.39	280.92	4.73	-40.66
O=C(CC1CCCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584418	0	42	-1.0	-46.11	322.24	6.24	-39.87
O=C(CC1CCCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584418	1	42	-1.0	-46.13	322.28	6.24	-39.89
N#CC1=CNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584419	0	29	-1.0	-52.29	274.42	3.17	-49.12
N#CC1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584419	1	29	-1.0	-52.20	274.74	3.16	-49.04
O=C(C#CC1=CC=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584420	0	32	-1.0	-45.30	298.27	6.26	-39.04
O=C(C#CC1=CC=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584420	1	32	-1.0	-45.07	298.32	6.25	-38.82
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C)N=C1	REAL250004584421	0	36	-1.0	-52.47	312.18	3.92	-48.55
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C)N=C1	REAL250004584421	1	36	-1.0	-52.46	312.13	3.93	-48.53
O=C(CCC1=COC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584422	0	33	-1.0	-47.10	293.27	4.33	-42.77
O=C(CCC1=COC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584422	1	33	-1.0	-47.15	293.32	4.32	-42.83
CC(C)CC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584423	0	41	-1.0	-45.60	318.97	5.54	-40.06
CC(C)CC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584423	1	41	-1.0	-45.60	319.02	5.53	-40.07
CC1=CC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584424	0	32	-1.0	-44.97	279.37	3.86	-41.11
CC1=CC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584424	1	32	-1.0	-44.95	279.33	3.87	-41.08
CC(C)=C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584425	0	33	-1.0	-45.01	274.69	4.58	-40.43
CC(C)=C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584425	1	33	-1.0	-45.00	274.74	4.57	-40.43
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004584426	0	36	-1.0	-45.80	295.11	4.86	-40.94
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584426	1	36	-1.0	-45.77	295.15	4.87	-40.90
CC1(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL250004584427	0	39	-1.0	-44.59	311.45	5.55	-39.04
CC1(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL250004584427	1	39	-1.0	-44.54	311.64	5.54	-39.00
O=C(CCC1=NN=CN1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584428	0	32	-1.0	-51.41	286.53	3.78	-47.63
O=C(CCC1=NN=CN1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584428	1	32	-1.0	-51.41	286.57	3.78	-47.63
CNS(=O)(=O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584429	0	31	-1.0	-58.97	287.55	-1.99	-60.96
CNS(=O)(=O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584429	1	31	-1.0	-58.95	287.60	-2.00	-60.95
CSC=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584430	0	28	-1.0	-44.80	266.72	3.53	-41.27
CSC=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584430	1	28	-1.0	-44.83	266.77	3.52	-41.31
O=C(CCC1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584431	0	37	-1.0	-48.10	306.57	3.36	-44.74
O=C(CCC1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584431	1	37	-1.0	-48.10	306.62	3.36	-44.74
N#CC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584432	0	28	-1.0	-48.70	279.55	4.30	-44.40
N#CC1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584432	1	28	-1.0	-48.71	279.59	4.29	-44.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C(F)F	REAL250004584433	0	26	-1.0	-40.53	255.52	3.05	-37.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C(F)F	REAL250004584433	1	26	-1.0	-40.54	255.56	3.05	-37.49
O=C(CN1C=CN=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584434	0	29	-1.0	-59.58	265.25	1.70	-57.88
O=C(CN1C=CN=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584434	1	29	-1.0	-59.59	265.21	1.71	-57.88
O=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004584435	0	30	-1.0	-48.43	277.93	2.31	-46.12
O=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004584435	1	30	-1.0	-48.51	278.25	2.29	-46.22
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CN1	REAL250004584436	0	31	-1.0	-47.39	271.96	3.34	-44.05
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CN1	REAL250004584436	1	31	-1.0	-47.38	271.71	3.34	-44.04
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004584437	0	33	-1.0	-45.45	275.34	4.41	-41.04
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584437	1	33	-1.0	-45.47	275.39	4.41	-41.06
C=CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584438	0	33	-1.0	-46.55	286.93	4.70	-41.85
C=CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584438	1	33	-1.0	-46.55	286.98	4.69	-41.86
CC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004584439	0	36	-1.0	-47.02	315.20	5.32	-41.70
CC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004584439	1	36	-1.0	-47.03	315.24	5.31	-41.72
COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004584440	0	33	-1.0	-44.34	295.95	1.76	-42.58
COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004584440	1	33	-1.0	-44.38	295.91	1.75	-42.63
O=C(COC1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584441	0	35	-1.0	-52.93	301.15	2.29	-50.64
O=C(COC1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584441	1	35	-1.0	-53.00	301.20	2.28	-50.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCCC2	REAL250004584442	0	37	-1.0	-45.43	303.85	5.89	-39.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCCC2	REAL250004584442	1	37	-1.0	-45.43	303.88	5.88	-39.55
O=CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL250004584443	0	29	-1.0	-47.72	280.89	3.65	-44.07
O=CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL250004584443	1	29	-1.0	-47.72	280.94	3.65	-44.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(F)(F)C1	REAL250004584444	0	30	-1.0	-45.89	271.09	4.04	-41.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL250004584444	1	30	-1.0	-45.92	271.14	4.04	-41.88
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NC=C1	REAL250004584445	0	30	-1.0	-57.11	271.47	1.82	-55.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC=C1	REAL250004584445	1	30	-1.0	-57.10	271.51	1.81	-55.29
CCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584446	0	36	-1.0	-45.54	305.37	5.37	-40.17
CCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584446	1	36	-1.0	-45.56	305.39	5.36	-40.20
CCC(CC)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584447	0	41	-1.0	-45.98	315.68	5.26	-40.72
CCC(CC)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584447	1	41	-1.0	-45.96	315.73	5.25	-40.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCC1	REAL250004584448	0	31	-1.0	-45.19	267.81	4.47	-40.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCC1	REAL250004584448	1	31	-1.0	-45.22	267.85	4.46	-40.76
CC1=NNC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584449	0	33	-1.0	-52.05	293.01	2.47	-49.58
CC1=NNC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584449	1	33	-1.0	-52.01	292.97	2.48	-49.53
CN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584450	0	31	-1.0	-47.99	276.54	4.50	-43.49
CN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584450	1	31	-1.0	-48.01	276.59	4.49	-43.52
O=C(C=C1CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584451	0	31	-1.0	-45.93	270.27	4.60	-41.33
O=C(C=C1CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584451	1	31	-1.0	-45.97	270.31	4.59	-41.38
COCC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584452	0	36	-1.0	-48.44	302.29	3.05	-45.39
COCC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584452	1	36	-1.0	-48.41	302.04	3.07	-45.34
O=C(CC1CCCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584453	0	37	-1.0	-48.60	305.22	4.43	-44.17
O=C(CC1CCCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584453	1	37	-1.0	-48.52	304.98	4.43	-44.09
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004584454	0	34	-1.0	-43.02	285.04	2.81	-40.21
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004584454	1	34	-1.0	-43.05	285.08	2.80	-40.25
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004584455	0	34	-1.0	-44.65	283.98	2.61	-42.04
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004584455	1	34	-1.0	-44.17	284.07	2.64	-41.53
CN(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004584456	1	38	-1.0	-44.97	298.47	2.55	-42.42
CN(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584456	1	38	-1.0	-44.93	298.51	2.54	-42.39
CC(C)N1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584457	0	36	-1.0	-44.64	304.74	4.54	-40.10
CC(C)N1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584457	1	36	-1.0	-44.71	304.62	4.55	-40.16
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584458	0	32	-1.0	-50.15	286.01	3.78	-46.37
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584458	1	32	-1.0	-50.16	285.97	3.79	-46.37
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CC1=CC=CC(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584460	0	36	-1.0	-45.56	309.23	5.82	-39.74
CC1=CC=CC(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584460	1	36	-1.0	-45.56	309.28	5.81	-39.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCNC(=O)C1	REAL250004584461	0	34	-1.0	-49.26	289.72	1.17	-48.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCNC(=O)C1	REAL250004584461	1	34	-1.0	-49.22	289.76	1.17	-48.05
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584462	0	42	-1.0	-45.08	326.05	6.02	-39.06
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584462	1	42	-1.0	-45.03	326.09	6.02	-39.01
COC(=O)C(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584463	0	35	-1.0	-45.22	303.06	3.97	-41.25
COC(=O)C(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584463	1	35	-1.0	-45.24	303.10	3.96	-41.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)=C1CCCC1	REAL250004584464	0	34	-1.0	-41.61	291.59	5.29	-36.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)=C1CCCC1	REAL250004584464	1	34	-1.0	-41.69	291.90	5.27	-36.42
CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584465	0	36	-1.0	-45.30	300.20	6.27	-39.03
CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584465	1	36	-1.0	-45.32	300.23	6.27	-39.05
CCC1(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584466	0	36	-1.0	-44.98	295.31	5.23	-39.75
CCC1(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584466	1	36	-1.0	-45.00	295.36	5.22	-39.78
CCCC(C)(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584467	0	36	-1.0	-43.37	299.34	1.45	-41.92
CCCC(C)(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584467	1	36	-1.0	-43.51	299.67	1.44	-42.07
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CCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584471	1	39	-1.0	-45.72	315.26	5.68	-40.04
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CC(C)[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004584474	1	40	-1.0	-46.12	307.20	2.78	-43.34
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CC1CC(C#N)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004584476	0	34	-1.0	-43.28	297.36	4.67	-38.61
CC1CC(C#N)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004584476	1	34	-1.0	-43.27	297.40	4.66	-38.61
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CC1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004584478	0	39	-1.0	-46.11	314.88	5.82	-40.29
CC1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004584478	1	39	-1.0	-46.11	314.92	5.81	-40.30
CCC(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584479	0	38	-1.0	-45.84	301.92	5.14	-40.70
CCC(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584479	1	38	-1.0	-45.88	301.97	5.13	-40.75
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CC=C(C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC	REAL250004584480	1	37	-1.0	-45.49	315.10	5.79	-39.70
CC1CCC(=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004584481	0	37	-1.0	-45.24	306.41	5.83	-39.41
CC1CCC(=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004584481	1	37	-1.0	-45.25	306.45	5.82	-39.43
CC(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584482	0	36	-1.0	-44.87	294.04	5.04	-39.83
CC(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584482	1	36	-1.0	-44.88	294.09	5.03	-39.85
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CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004584484	0	33	-1.0	-45.23	277.57	4.47	-40.76
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004584484	1	33	-1.0	-45.28	277.34	4.47	-40.81
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)=C1CCCC1	REAL250004584485	0	37	-1.0	-45.61	302.42	5.90	-39.71
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)=C1CCCC1	REAL250004584485	1	37	-1.0	-45.60	302.46	5.89	-39.71
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COCC(C)(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584488	0	34	-1.0	-43.30	293.34	-0.60	-43.90
COCC(C)(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584488	1	34	-1.0	-43.48	293.66	-0.62	-44.10
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CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004584495	0	39	-1.0	-45.88	308.74	5.53	-40.35
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004584495	1	39	-1.0	-45.85	308.78	5.52	-40.33
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CSCCC(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584499	0	34	-1.0	-47.10	307.46	2.42	-44.68
CSCCC(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584499	1	34	-1.0	-47.05	307.50	2.41	-44.64
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CC(C)(C)C(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584502	0	36	-1.0	-45.42	291.38	2.76	-42.66
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CC1(C)C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584503	0	33	-1.0	-45.01	277.95	4.59	-40.42
CC1(C)C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584503	1	33	-1.0	-45.01	278.00	4.58	-40.43
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CNC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584504	1	32	-1.0	-47.67	284.70	-1.08	-48.75
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CC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004584506	0	33	-1.0	-50.27	293.80	4.53	-45.74
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CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004584507	0	41	-1.0	-45.29	324.69	5.80	-39.49
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CC(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004584508	0	35	-1.0	-42.96	309.44	4.41	-38.55
CC(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004584508	1	35	-1.0	-42.95	309.48	4.40	-38.55
CCC(C)C(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584509	0	36	-1.0	-45.88	293.95	2.54	-43.34
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CN1CCOCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584512	0	36	-1.0	-45.62	297.76	0.27	-45.35
CN1CCOCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584512	1	36	-1.0	-45.59	297.80	0.26	-45.33
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CC(C)N1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584514	0	37	-1.0	-46.85	307.69	6.01	-40.84
CC(C)N1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584514	1	37	-1.0	-46.88	307.72	5.99	-40.89
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1=O	REAL250004584515	0	38	-1.0	-50.45	314.86	4.91	-45.54
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1=O	REAL250004584515	1	38	-1.0	-50.45	314.90	4.91	-45.54
CCCC(CCC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584516	0	41	-1.0	-45.16	326.97	6.36	-38.80
CCCC(CCC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584516	1	41	-1.0	-45.19	327.01	6.36	-38.83
CC1CC(=O)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584517	0	38	-1.0	-51.10	313.76	4.88	-46.22
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CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004584518	0	42	-1.0	-45.19	318.91	6.09	-39.10
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL250004584518	1	42	-1.0	-45.21	318.95	6.08	-39.13
CC1=NN=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584519	0	31	-1.0	-47.95	272.98	2.73	-45.22
CC1=NN=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584519	1	31	-1.0	-47.93	273.02	2.72	-45.21
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CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004584520	1	35	-1.0	-46.10	295.72	3.65	-42.45
COCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584521	0	36	-1.0	-44.35	300.91	3.02	-41.33
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O=C(CN1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584522	1	35	-1.0	-46.13	286.85	1.83	-44.30
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CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(O)=C1	REAL250004584524	0	34	-1.0	-48.23	296.75	4.00	-44.23
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(O)=C1	REAL250004584524	1	34	-1.0	-48.28	296.80	4.00	-44.28
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COCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584531	1	37	-1.0	-45.68	317.56	3.65	-42.03
CCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004584532	0	35	-1.0	-45.48	310.69	2.83	-42.65
CCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004584532	1	35	-1.0	-45.48	310.65	2.84	-42.64
CC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584533	0	33	-1.0	-44.57	288.68	5.64	-38.93
CC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584533	1	33	-1.0	-44.55	288.73	5.64	-38.91
CCC(SC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584534	0	33	-1.0	-46.00	291.87	4.23	-41.77
CCC(SC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584534	1	33	-1.0	-46.04	291.91	4.23	-41.81
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=C1	REAL250004584535	0	34	-1.0	-49.10	294.21	5.32	-43.78
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=C1	REAL250004584535	1	34	-1.0	-49.08	294.25	5.32	-43.76
CCN(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004584536	0	38	-1.0	-46.32	309.47	3.16	-43.16
CCN(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004584536	1	38	-1.0	-46.32	309.51	3.14	-43.18
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CC1(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584540	1	37	-1.0	-49.05	308.06	4.62	-44.43
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COC(=O)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584561	0	35	-1.0	-54.74	308.08	4.17	-50.57
COC(=O)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584561	1	35	-1.0	-54.78	308.13	4.16	-50.62
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CCC(C)=C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584563	0	36	-1.0	-44.62	295.71	5.32	-39.30
CCC(C)=C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584563	1	36	-1.0	-44.64	295.75	5.32	-39.32
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CC1=NSC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584565	0	29	-1.0	-45.75	268.84	3.15	-42.60
CC1=NSC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584565	1	29	-1.0	-45.71	268.88	3.15	-42.56
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CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004584567	0	31	-1.0	-48.13	266.94	1.67	-46.46
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004584567	1	31	-1.0	-48.14	266.98	1.67	-46.47
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CC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584570	0	36	-1.0	-45.85	290.12	4.94	-40.91
CC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584570	1	36	-1.0	-45.87	290.16	4.93	-40.94
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COCCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584572	0	37	-1.0	-51.70	320.59	2.70	-49.00
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CC(C)(C)OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584574	0	36	-1.0	-48.80	300.01	3.96	-44.84
CC(C)(C)OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584574	1	36	-1.0	-48.80	300.04	3.95	-44.85
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CCC(C)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584616	0	38	-1.0	-45.74	299.45	4.79	-40.95
CCC(C)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584616	1	38	-1.0	-45.70	299.79	4.77	-40.93
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CC(C)(O)C(F)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584618	0	33	-1.0	-42.59	287.72	1.96	-40.63
CC(C)(O)C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584618	1	33	-1.0	-42.47	288.06	1.95	-40.52
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(O)=C1	REAL250004584619	1	33	-1.0	-47.06	294.02	2.26	-44.80
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(O)=C1	REAL250004584619	1	33	-1.0	-47.04	294.06	2.25	-44.79
COC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584620	0	33	-1.0	-44.26	291.36	4.26	-40.00
COC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584620	1	33	-1.0	-44.19	291.39	4.26	-39.93
CC#CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584621	0	34	-1.0	-49.91	301.73	5.61	-44.30
CC#CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584621	1	34	-1.0	-49.93	301.77	5.61	-44.32
C#CCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584622	0	34	-1.0	-44.92	292.77	4.89	-40.03
C#CCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584622	1	34	-1.0	-44.93	292.81	4.89	-40.04
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004584623	0	34	-1.0	-44.89	284.02	2.39	-42.50
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004584623	1	34	-1.0	-44.90	284.06	2.38	-42.52
COCCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584624	0	39	-1.0	-48.18	317.21	3.39	-44.79
COCCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584624	1	39	-1.0	-48.18	317.24	3.38	-44.80
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COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004584626	0	34	-1.0	-42.74	283.50	3.05	-39.69
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584626	1	34	-1.0	-42.74	283.57	3.05	-39.69
COC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584627	0	30	-1.0	-42.65	278.21	0.31	-42.34
COC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584627	1	30	-1.0	-42.69	278.17	0.32	-42.37
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CC1OC(=O)NC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584685	0	32	-1.0	-56.60	279.37	0.14	-56.46
CC1OC(=O)NC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584685	1	32	-1.0	-56.61	279.41	0.13	-56.48
CC(C)(CO)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584686	0	33	-1.0	-44.67	278.65	0.62	-44.05
CC(C)(CO)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584686	1	33	-1.0	-44.67	278.69	0.61	-44.06
CCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584687	0	33	-1.0	-45.03	288.21	3.50	-41.53
CCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584687	1	33	-1.0	-45.06	288.17	3.51	-41.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCCCC1	REAL250004584688	0	37	-1.0	-45.09	297.11	5.69	-39.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCCCC1	REAL250004584688	1	37	-1.0	-45.08	297.15	5.68	-39.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(O)C=CC=C1F	REAL250004584689	1	31	-1.0	-50.15	287.28	2.00	-48.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(O)C=CC=C1F	REAL250004584689	1	31	-1.0	-50.12	287.24	2.01	-48.11
CC1=CN=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584690	0	35	-1.0	-50.36	307.17	4.43	-45.93
CC1=CN=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584690	1	35	-1.0	-50.40	307.41	4.43	-45.97
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N(C)C=C1	REAL250004584691	0	34	-1.0	-46.03	298.39	4.91	-41.12
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N(C)C=C1	REAL250004584691	1	34	-1.0	-46.07	298.43	4.90	-41.17
CC(C)C(C)(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584692	0	36	-1.0	-43.40	292.82	1.42	-41.98
CC(C)C(C)(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584692	1	36	-1.0	-43.45	292.87	1.41	-42.04
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004584693	0	36	-1.0	-48.09	299.10	3.91	-44.18
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004584693	1	36	-1.0	-48.08	299.14	3.90	-44.18
CN1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL250004584694	0	34	-1.0	-45.54	293.75	2.46	-43.08
CN1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL250004584694	1	34	-1.0	-45.55	293.80	2.45	-43.10
CC1(C)CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584695	0	39	-1.0	-45.40	309.80	5.50	-39.90
CC1(C)CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584695	1	39	-1.0	-45.23	309.31	5.63	-39.60
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(O)=C1O	REAL250004584696	1	32	-1.0	-49.94	286.14	1.03	-48.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(O)CCOCC1	REAL250004584697	0	35	-1.0	-46.58	290.66	-0.19	-46.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CCOCC1	REAL250004584697	1	35	-1.0	-46.61	290.70	-0.20	-46.81
CN1C=NC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584698	0	33	-1.0	-53.84	290.92	4.66	-49.18
CN1C=NC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584698	1	33	-1.0	-53.85	290.96	4.65	-49.20
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CNC(=O)C1	REAL250004584699	0	34	-1.0	-51.82	290.10	0.71	-51.11
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CNC(=O)C1	REAL250004584699	1	34	-1.0	-51.82	290.15	0.70	-51.12
CC(C)(O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584700	0	36	-1.0	-45.55	300.71	1.37	-44.18
CC(C)(O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584700	1	36	-1.0	-45.58	300.75	1.36	-44.22
CN1N=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584701	0	36	-1.0	-48.10	312.80	3.92	-44.18
CN1N=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584701	1	36	-1.0	-48.10	312.84	3.91	-44.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCCC1	REAL250004584702	0	33	-1.0	-43.34	280.14	4.49	-38.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCCC1	REAL250004584702	1	33	-1.0	-43.36	280.19	4.50	-38.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC=N1	REAL250004584703	0	28	-1.0	-43.60	258.81	2.99	-40.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=N1	REAL250004584703	1	28	-1.0	-43.61	258.77	2.98	-40.63
CC1=CN=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584704	0	35	-1.0	-49.69	303.19	4.27	-45.42
CC1=CN=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584704	1	35	-1.0	-49.74	303.23	4.27	-45.47
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CC1CCCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584706	0	39	-1.0	-46.04	314.83	5.82	-40.22
CC1CCCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584706	1	39	-1.0	-46.02	314.88	5.81	-40.21
CN1C(=O)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584707	0	34	-1.0	-53.54	290.69	2.59	-50.95
CN1C(=O)CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584707	1	34	-1.0	-53.61	290.73	2.58	-51.03
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004584708	0	29	-1.0	-44.57	267.51	0.24	-44.33
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004584708	1	29	-1.0	-44.58	267.55	0.23	-44.35
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004584709	0	36	-1.0	-47.21	306.99	6.13	-41.08
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004584709	1	36	-1.0	-47.11	307.35	6.11	-41.00
C[C@H](NC(N)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584710	0	32	-1.0	-47.03	282.54	-1.66	-48.69
C[C@H](NC(N)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584710	1	32	-1.0	-47.01	282.58	-1.67	-48.68
CC(=O)OC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584711	0	35	-1.0	-46.93	297.40	4.60	-42.33
CC(=O)OC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584711	1	35	-1.0	-46.88	297.45	4.59	-42.29
CC1=CC(C)=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584712	0	35	-1.0	-45.19	306.82	4.45	-40.74
CC1=CC(C)=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584712	1	35	-1.0	-45.25	306.87	4.44	-40.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(F)C1	REAL250004584713	0	33	-1.0	-48.28	281.76	4.57	-43.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(F)C1	REAL250004584713	1	33	-1.0	-48.30	281.81	4.56	-43.74
CN1C=C(C(O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584714	0	34	-1.0	-51.95	303.73	1.20	-50.75
CN1C=C(C(O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004584714	1	34	-1.0	-51.90	303.68	1.20	-50.70
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCCC(=O)N1	REAL250004584716	0	34	-1.0	-53.36	290.65	1.43	-51.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCCC(=O)N1	REAL250004584716	1	34	-1.0	-53.34	290.69	1.42	-51.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCC1	REAL250004584717	0	30	-1.0	-42.99	264.30	3.91	-39.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCC1	REAL250004584717	1	30	-1.0	-42.62	264.05	3.91	-38.71
CCOCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584718	0	37	-1.0	-44.47	313.92	4.49	-39.98
CCOCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584718	1	37	-1.0	-44.47	313.97	4.49	-39.98
CC1CC(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004584719	0	37	-1.0	-48.80	304.84	4.55	-44.25
CC1CC(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004584719	1	37	-1.0	-48.76	304.88	4.55	-44.21
CCC1CCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584720	0	42	-1.0	-44.89	326.87	6.35	-38.54
CCC1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584720	1	42	-1.0	-44.96	326.62	6.34	-38.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CON=C1C1CC1	REAL250004584721	0	33	-1.0	-48.78	295.39	4.54	-44.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CON=C1C1CC1	REAL250004584721	1	33	-1.0	-48.78	295.43	4.53	-44.25
CCCC(C)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584722	0	41	-1.0	-45.85	321.25	5.55	-40.30
CCCC(C)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584722	1	41	-1.0	-45.85	321.30	5.54	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=N1	REAL250004584723	0	29	-1.0	-42.90	270.17	3.25	-39.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=N1	REAL250004584723	1	29	-1.0	-42.93	270.13	3.25	-39.68
CSCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584724	0	36	-1.0	-44.10	309.09	4.87	-39.23
CSCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584724	1	36	-1.0	-44.12	309.13	4.86	-39.26
O=C(C=CC1=CN=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584725	0	30	-1.0	-47.01	286.35	3.37	-43.64
O=C(C=CC1=CN=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584725	1	30	-1.0	-47.00	286.39	3.36	-43.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@@H]1C(F)F	REAL250004584726	0	30	-1.0	-45.37	274.26	4.25	-41.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@@H]1C(F)F	REAL250004584726	1	30	-1.0	-45.40	274.30	4.25	-41.15
CCCCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584727	0	38	-1.0	-45.56	312.03	5.44	-40.12
CCCCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584727	1	38	-1.0	-45.55	312.07	5.43	-40.12
CC(CC(N)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584728	0	33	-1.0	-46.04	284.38	0.02	-46.02
CC(CC(N)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584728	1	33	-1.0	-46.07	284.42	0.03	-46.04
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C=O)N1	REAL250004584729	0	33	-1.0	-49.31	295.13	2.90	-46.41
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C=O)N1	REAL250004584729	1	33	-1.0	-49.25	295.18	2.89	-46.36
CN1N=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584730	0	29	-1.0	-45.57	261.75	1.25	-44.32
CN1N=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584730	1	29	-1.0	-45.46	261.99	1.25	-44.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCOCC1	REAL250004584731	0	37	-1.0	-46.03	294.36	3.25	-42.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCOCC1	REAL250004584731	1	37	-1.0	-46.03	294.66	3.23	-42.80
COC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584732	0	36	-1.0	-48.17	293.38	3.75	-44.42
COC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584732	1	36	-1.0	-48.17	293.42	3.76	-44.41
CNC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004584733	0	34	-1.0	-47.08	296.29	2.77	-44.31
CNC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004584733	1	34	-1.0	-47.05	296.25	2.77	-44.28
CC1=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC=N1	REAL250004584735	0	33	-1.0	-52.92	291.49	3.63	-49.29
CC1=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC=N1	REAL250004584735	1	33	-1.0	-52.94	291.26	3.63	-49.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CS1	REAL250004584736	0	26	-1.0	-43.65	254.38	2.02	-41.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CS1	REAL250004584736	1	26	-1.0	-43.64	254.34	2.02	-41.62
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C#N)O1	REAL250004584737	0	31	-1.0	-44.97	290.50	4.24	-40.73
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C#N)O1	REAL250004584737	1	31	-1.0	-44.97	290.54	4.23	-40.74
CC(C)(C#N)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584738	0	33	-1.0	-45.77	283.60	4.09	-41.68
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CCC(C)(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584739	0	36	-1.0	-49.04	293.84	3.70	-45.34
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CCC(C)C(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584781	0	39	-1.0	-47.42	320.93	4.62	-42.80
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CSC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584786	1	31	-1.0	-43.29	287.01	4.39	-38.90
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CC(C)[C@H](O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584789	0	33	-1.0	-45.71	278.27	1.92	-43.79
CC(C)[C@H](O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584789	1	33	-1.0	-45.60	277.97	1.94	-43.66
CCC(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584790	0	38	-1.0	-45.90	309.63	5.31	-40.59
CCC(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584790	1	38	-1.0	-45.92	309.67	5.30	-40.62
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CC1=NOC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584793	0	32	-1.0	-52.73	287.78	3.77	-48.96
CC1=NOC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004584793	1	32	-1.0	-52.77	287.82	3.76	-49.01
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CC1=NN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004584863	0	28	-1.0	-43.91	271.65	1.66	-42.25
CC1=NN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004584863	1	28	-1.0	-43.92	271.69	1.65	-42.27
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CC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004584892	0	30	-1.0	-44.73	280.27	4.57	-40.16
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CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584897	1	36	-1.0	-45.47	305.97	5.57	-39.90
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CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004584900	1	32	-1.0	-44.06	285.55	1.05	-43.01
CCC(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584901	0	33	-1.0	-49.92	283.30	1.67	-48.25
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CC1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1C1CC1	REAL250004585157	0	37	-1.0	-44.48	308.24	6.21	-38.27
CC1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1C1CC1	REAL250004585157	1	37	-1.0	-44.49	308.29	6.21	-38.28
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CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL250004585159	0	40	-1.0	-46.45	311.35	5.80	-40.65
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL250004585159	1	40	-1.0	-46.49	311.40	5.78	-40.71
CCC(C#N)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585160	0	36	-1.0	-45.13	301.54	4.34	-40.79
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COC1=CC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585162	0	33	-1.0	-49.64	291.27	3.64	-46.00
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CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)O1	REAL250004585163	0	37	-1.0	-46.16	308.33	3.46	-42.70
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)O1	REAL250004585163	1	37	-1.0	-46.31	308.10	3.47	-42.84
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CC1(C#CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585175	0	32	-1.0	-45.12	291.12	5.31	-39.81
CC1(C#CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585175	1	32	-1.0	-44.85	290.87	5.31	-39.54
CN1CCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585176	0	38	-1.0	-45.62	305.68	2.70	-42.92
CN1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585176	1	38	-1.0	-45.73	305.44	2.69	-43.04
CC(C)C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NO1	REAL250004585177	0	35	-1.0	-44.10	304.92	4.55	-39.55
CC(C)C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NO1	REAL250004585177	1	35	-1.0	-44.09	304.96	4.54	-39.55
CC1(CCCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004585178	0	35	-1.0	-52.22	306.28	0.01	-52.21
CC1(CCCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004585178	1	35	-1.0	-52.25	306.33	0.00	-52.25
C=CC=CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585179	0	31	-1.0	-46.87	279.29	4.56	-42.31
C=CC=CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585179	1	31	-1.0	-46.89	279.33	4.55	-42.34
CN(C)C(=O)C=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585180	0	34	-1.0	-46.79	300.96	2.68	-44.11
CN(C)C(=O)C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585180	1	34	-1.0	-46.81	301.00	2.66	-44.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004585181	0	38	-1.0	-50.46	306.51	4.57	-45.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004585181	1	38	-1.0	-50.47	306.55	4.56	-45.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=C1C1CC1	REAL250004585182	0	35	-1.0	-52.16	301.88	4.91	-47.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=C1C1CC1	REAL250004585182	1	35	-1.0	-52.14	301.92	4.90	-47.24
CNC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004585183	0	34	-1.0	-46.44	298.72	1.97	-44.47
CNC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004585183	1	34	-1.0	-46.43	298.67	1.96	-44.47
CCC1CCCC1(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585184	0	42	-1.0	-45.91	326.18	6.16	-39.75
CCC1CCCC1(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585184	1	42	-1.0	-45.95	325.94	6.17	-39.78
O=C(CC1=CC=C(F)C=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585185	0	32	-1.0	-52.14	291.01	4.03	-48.11
O=C(CC1=CC=C(F)C=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585185	1	32	-1.0	-52.12	291.06	4.02	-48.10
NC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585186	0	32	-1.0	-44.00	283.23	3.20	-40.80
NC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585186	1	32	-1.0	-43.97	283.28	3.19	-40.78
O=C(CO)NCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585187	0	34	-1.0	-61.89	302.40	-1.19	-63.08
O=C(CO)NCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585187	1	34	-1.0	-61.89	302.44	-1.20	-63.09
O=C(CC1CCNC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585188	0	34	-1.0	-59.48	290.09	2.12	-57.36
O=C(CC1CCNC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585188	1	34	-1.0	-59.49	290.14	2.11	-57.38
NC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004585189	0	31	-1.0	-46.79	276.91	1.88	-44.91
NC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004585189	1	31	-1.0	-46.78	276.87	1.88	-44.90
CCCC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585190	0	38	-1.0	-45.13	306.74	5.63	-39.50
CCCC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585190	1	38	-1.0	-45.09	306.82	5.64	-39.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2(CC2)C12CC2	REAL250004585191	0	35	-1.0	-45.68	306.56	6.32	-39.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2(CC2)C12CC2	REAL250004585191	1	35	-1.0	-45.68	306.60	6.31	-39.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC=CCC1	REAL250004585192	0	37	-1.0	-45.51	297.85	5.60	-39.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC=CCC1	REAL250004585192	1	37	-1.0	-45.45	297.90	5.59	-39.86
CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL250004585193	0	37	-1.0	-47.45	313.37	5.85	-41.60
CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL250004585193	1	37	-1.0	-47.47	313.41	5.84	-41.63
CC1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585194	0	30	-1.0	-44.91	272.61	3.60	-41.31
CC1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585194	1	30	-1.0	-44.90	272.65	3.60	-41.30
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(F)(F)C1	REAL250004585195	0	33	-1.0	-44.89	286.14	4.52	-40.37
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1	REAL250004585195	1	33	-1.0	-44.95	285.88	4.52	-40.43
C[C@@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(=O)N1	REAL250004585196	0	34	-1.0	-47.13	291.22	1.26	-45.87
C[C@@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(=O)N1	REAL250004585196	1	34	-1.0	-47.15	291.27	1.25	-45.90
O=C(C=CC1=CSC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585197	0	31	-1.0	-46.21	291.11	5.07	-41.14
O=C(C=CC1=CSC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585197	1	31	-1.0	-46.22	291.16	5.06	-41.16
CCC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585198	0	36	-1.0	-45.20	310.10	3.98	-41.22
CCC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585198	1	36	-1.0	-45.19	310.14	3.97	-41.22
NC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585199	0	31	-1.0	-45.91	278.88	1.06	-44.85
NC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585199	1	31	-1.0	-45.88	278.83	1.07	-44.81
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585200	0	37	-1.0	-46.68	315.74	6.39	-40.29
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585200	1	37	-1.0	-46.66	315.79	6.38	-40.28
C=CC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585201	0	36	-1.0	-44.69	292.97	4.87	-39.82
C=CC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585201	1	36	-1.0	-44.71	292.73	4.87	-39.84
O=C(COC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585202	0	31	-1.0	-50.27	276.07	3.62	-46.65
O=C(COC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585202	1	31	-1.0	-50.26	276.11	3.61	-46.65
O=C(COC1=CC=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585203	0	33	-1.0	-49.39	297.59	2.81	-46.58
O=C(COC1=CC=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585203	1	33	-1.0	-49.42	297.55	2.82	-46.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)C=CN1	REAL250004585204	0	30	-1.0	-58.99	271.13	2.66	-56.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)C=CN1	REAL250004585204	1	30	-1.0	-58.84	271.45	2.65	-56.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSN=C1	REAL250004585205	0	26	-1.0	-46.68	252.45	2.53	-44.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSN=C1	REAL250004585205	1	26	-1.0	-46.63	252.40	2.54	-44.09
CC1=CN(C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585206	0	34	-1.0	-50.78	294.72	5.20	-45.58
CC1=CN(C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585206	1	34	-1.0	-50.81	294.76	5.19	-45.62
COC1=NC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004585207	0	32	-1.0	-44.60	290.97	-0.27	-44.87
COC1=NC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004585207	1	32	-1.0	-44.62	290.92	-0.27	-44.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)O1	REAL250004585208	0	27	-1.0	-41.91	257.16	3.02	-38.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)O1	REAL250004585208	1	27	-1.0	-41.91	257.20	3.02	-38.89
CC1COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585209	0	34	-1.0	-49.48	287.63	3.67	-45.81
CC1COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585209	1	34	-1.0	-49.31	287.96	3.67	-45.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCO[C@H]1C1CC1	REAL250004585210	0	38	-1.0	-45.84	315.85	4.39	-41.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCO[C@H]1C1CC1	REAL250004585210	1	38	-1.0	-45.83	315.89	4.38	-41.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(O)=C1F	REAL250004585211	0	31	-1.0	-53.39	281.88	2.11	-51.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(O)=C1F	REAL250004585211	1	31	-1.0	-53.46	281.92	2.12	-51.34
CCN1CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585212	0	35	-1.0	-48.48	294.55	1.27	-47.21
CCN1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585212	1	35	-1.0	-48.43	294.31	1.28	-47.15
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004585213	0	32	-1.0	-43.39	288.62	3.77	-39.62
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004585213	1	32	-1.0	-43.33	288.66	3.76	-39.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(CO)=C1	REAL250004585214	0	33	-1.0	-49.66	292.49	0.57	-49.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(CO)=C1	REAL250004585214	1	33	-1.0	-49.64	292.53	0.57	-49.07
CC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1O	REAL250004585215	0	33	-1.0	-47.48	292.88	2.32	-45.16
CC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1O	REAL250004585215	1	33	-1.0	-47.47	292.92	2.31	-45.16
O=C(CCCCCO)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585217	0	36	-1.0	-49.55	307.04	1.58	-47.97
O=C(CCCCCO)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585217	1	36	-1.0	-49.54	307.08	1.57	-47.97
C=C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585218	0	37	-1.0	-45.51	304.90	5.59	-39.92
C=C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585218	1	37	-1.0	-45.50	304.94	5.58	-39.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC=CCCC1	REAL250004585219	0	40	-1.0	-44.21	310.54	5.98	-38.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC=CCCC1	REAL250004585219	1	40	-1.0	-44.32	310.85	5.97	-38.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1CC1	REAL250004585220	0	34	-1.0	-45.40	296.53	4.37	-41.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1CC1	REAL250004585220	1	34	-1.0	-45.40	296.48	4.38	-41.02
CC1=CN=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585221	0	32	-1.0	-44.06	284.24	3.76	-40.30
CC1=CN=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585221	1	32	-1.0	-44.06	284.18	3.77	-40.29
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCO1	REAL250004585222	0	37	-1.0	-49.48	302.86	4.30	-45.18
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCO1	REAL250004585222	1	37	-1.0	-49.46	302.90	4.29	-45.17
NC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004585223	0	30	-1.0	-54.96	277.52	1.29	-53.67
NC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004585223	1	30	-1.0	-54.97	277.48	1.30	-53.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NS1	REAL250004585224	0	26	-1.0	-44.15	253.76	2.54	-41.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NS1	REAL250004585224	1	26	-1.0	-44.12	253.71	2.55	-41.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CCC1	REAL250004585225	0	37	-1.0	-45.30	298.85	5.83	-39.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CCC1	REAL250004585225	1	37	-1.0	-45.26	298.88	5.82	-39.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CC1	REAL250004585226	0	34	-1.0	-45.62	283.33	5.56	-40.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CC1	REAL250004585226	1	34	-1.0	-45.64	283.38	5.56	-40.08
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585227	0	33	-1.0	-52.80	293.24	4.26	-48.54
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585227	1	33	-1.0	-52.82	293.27	4.26	-48.56
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585228	0	38	-1.0	-49.70	312.20	4.08	-45.62
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585228	1	38	-1.0	-49.69	312.24	4.07	-45.62
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585229	0	37	-1.0	-45.31	302.16	5.68	-39.63
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585229	1	37	-1.0	-45.31	302.20	5.67	-39.64
C#CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585230	0	29	-1.0	-50.59	281.14	4.44	-46.15
C#CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585230	1	29	-1.0	-50.56	281.17	4.44	-46.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC=N1	REAL250004585231	0	28	-1.0	-49.79	259.37	2.38	-47.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC=N1	REAL250004585231	1	28	-1.0	-49.81	259.33	2.39	-47.42
N#CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL250004585232	0	28	-1.0	-54.35	276.11	4.26	-50.09
N#CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL250004585232	1	28	-1.0	-54.34	276.16	4.26	-50.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCC(=O)C21	REAL250004585233	0	33	-1.0	-46.93	280.76	4.06	-42.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCC(=O)C21	REAL250004585233	1	33	-1.0	-47.46	278.26	4.02	-43.44
CC1=NOC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585234	0	34	-1.0	-45.03	295.47	2.83	-42.20
CC1=NOC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585234	1	34	-1.0	-45.03	295.51	2.82	-42.21
CCOC1C(C)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585235	0	37	-1.0	-49.04	310.25	4.19	-44.85
CCOC1C(C)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585235	1	37	-1.0	-49.06	310.30	4.18	-44.88
O=C(CCN1C=NN=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585236	0	31	-1.0	-50.50	281.81	2.73	-47.77
O=C(CCN1C=NN=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585236	1	31	-1.0	-50.50	282.05	2.73	-47.77
NC1=CC=NN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585237	0	32	-1.0	-52.59	286.28	1.77	-50.82
NC1=CC=NN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585237	1	32	-1.0	-52.59	286.24	1.77	-50.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1CCC2	REAL250004585238	0	34	-1.0	-45.48	286.24	5.17	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1CCC2	REAL250004585238	1	34	-1.0	-45.44	286.28	5.17	-40.27
CN1C=NC(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585239	0	34	-1.0	-49.96	305.56	5.54	-44.42
CN1C=NC(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585239	1	34	-1.0	-49.95	305.60	5.55	-44.40
O=C(CC1CC=CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585240	0	37	-1.0	-46.78	303.21	5.75	-41.03
O=C(CC1CC=CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585240	1	37	-1.0	-46.80	303.25	5.74	-41.06
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C=O	REAL250004585242	0	32	-1.0	-46.67	292.41	2.26	-44.41
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C=O	REAL250004585242	1	32	-1.0	-46.70	292.36	2.28	-44.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC1)N=N2	REAL250004585243	0	36	-1.0	-48.00	304.91	-0.27	-48.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC1)N=N2	REAL250004585243	1	36	-1.0	-48.02	304.95	-0.28	-48.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004585244	0	40	-1.0	-46.15	308.77	6.24	-39.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004585244	1	40	-1.0	-46.11	308.81	6.23	-39.88
C=C(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585245	0	36	-1.0	-44.81	301.46	5.15	-39.66
C=C(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585245	1	36	-1.0	-44.83	301.51	5.14	-39.69
O=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004585246	0	31	-1.0	-48.07	287.08	2.91	-45.16
O=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004585246	1	31	-1.0	-48.09	287.03	2.92	-45.17
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C=O	REAL250004585247	0	33	-1.0	-49.60	295.13	4.07	-45.53
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C=O	REAL250004585247	1	33	-1.0	-49.64	295.17	4.06	-45.58
O=CC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585248	0	31	-1.0	-47.17	284.85	2.84	-44.33
O=CC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585248	1	31	-1.0	-47.21	284.81	2.83	-44.38
CC(C)N1C=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585249	0	36	-1.0	-44.71	308.63	4.83	-39.88
CC(C)N1C=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585249	1	36	-1.0	-44.67	308.58	4.82	-39.85
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CCC1	REAL250004585250	0	34	-1.0	-45.04	285.71	4.90	-40.14
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CCC1	REAL250004585250	1	34	-1.0	-45.00	285.76	4.90	-40.10
CCCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585251	0	39	-1.0	-45.71	326.87	6.14	-39.57
CCCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585251	1	39	-1.0	-45.68	326.90	6.13	-39.55
CCC[C@H](O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585252	0	33	-1.0	-45.65	284.24	1.96	-43.69
CCC[C@H](O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585252	1	33	-1.0	-45.64	284.28	1.96	-43.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)CO	REAL250004585253	0	27	-1.0	-43.28	253.58	-0.49	-43.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)CO	REAL250004585253	1	27	-1.0	-43.28	253.63	-0.48	-43.76
CC1=NNC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585254	0	36	-1.0	-47.94	314.37	3.31	-44.63
CC1=NNC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585254	1	36	-1.0	-47.96	314.42	3.30	-44.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CO)N=C1	REAL250004585255	0	33	-1.0	-47.05	292.27	0.56	-46.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CO)N=C1	REAL250004585255	1	33	-1.0	-47.06	292.31	0.56	-46.50
CCOC=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585256	0	31	-1.0	-44.85	277.74	2.83	-42.02
CCOC=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585256	1	31	-1.0	-44.88	277.79	2.84	-42.04
CN1C=CN=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585257	0	36	-1.0	-49.52	312.20	4.68	-44.84
CN1C=CN=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585257	1	36	-1.0	-49.53	312.23	4.67	-44.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CCO)N=C1	REAL250004585258	0	34	-1.0	-48.09	304.52	0.16	-47.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CCO)N=C1	REAL250004585258	1	34	-1.0	-48.10	304.48	0.16	-47.94
CC1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004585259	0	29	-1.0	-48.27	267.37	0.16	-48.11
CC1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004585259	1	29	-1.0	-48.31	267.41	0.15	-48.16
CCC(C)(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585260	0	33	-1.0	-43.30	277.85	0.68	-42.62
CCC(C)(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585260	1	33	-1.0	-43.51	278.17	0.67	-42.84
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C=O)O1	REAL250004585261	0	32	-1.0	-45.46	291.01	3.51	-41.95
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C=O)O1	REAL250004585261	1	32	-1.0	-45.50	291.04	3.50	-42.00
C=CC(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585262	0	36	-1.0	-46.30	302.66	5.17	-41.13
C=CC(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585262	1	36	-1.0	-46.34	302.71	5.16	-41.18
CC1=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004585263	0	35	-1.0	-47.08	309.42	4.49	-42.59
CC1=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004585263	1	35	-1.0	-47.07	309.48	4.48	-42.59
CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004585264	0	32	-1.0	-46.07	289.19	2.08	-43.99
CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004585264	1	32	-1.0	-46.07	289.15	2.09	-43.98
CC[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585265	0	37	-1.0	-46.03	308.42	3.48	-42.55
CC[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585265	1	37	-1.0	-46.00	308.18	3.49	-42.51
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=N1	REAL250004585266	0	32	-1.0	-43.94	291.13	1.44	-42.50
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=N1	REAL250004585266	1	32	-1.0	-43.93	291.09	1.44	-42.49
CC(C)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)F	REAL250004585268	0	35	-1.0	-46.71	294.29	4.64	-42.07
CC(C)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)F	REAL250004585268	1	35	-1.0	-46.81	294.05	4.64	-42.17
CN1C(=O)CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585269	0	34	-1.0	-53.90	290.48	2.59	-51.31
CN1C(=O)CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585269	1	34	-1.0	-53.89	290.52	2.58	-51.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1F	REAL250004585270	0	36	-1.0	-48.56	296.48	5.14	-43.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1F	REAL250004585270	1	36	-1.0	-48.78	296.27	5.14	-43.64
CC1(C)C(C)(C)C1(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585271	0	42	-1.0	-44.49	320.51	5.93	-38.56
CC1(C)C(C)(C)C1(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585271	1	42	-1.0	-44.54	320.56	5.92	-38.62
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004585272	0	35	-1.0	-44.45	300.81	4.50	-39.95
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004585272	1	35	-1.0	-44.45	300.77	4.51	-39.94
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004585273	0	34	-1.0	-45.70	284.73	4.91	-40.79
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004585273	1	34	-1.0	-45.68	284.77	4.90	-40.78
CC(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004585274	0	37	-1.0	-44.08	296.57	3.00	-41.08
CC(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004585274	1	37	-1.0	-44.07	296.61	3.00	-41.07
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL250004585275	0	35	-1.0	-45.38	302.44	4.37	-41.01
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL250004585275	1	35	-1.0	-45.34	302.48	4.37	-40.97
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CNN=C21	REAL250004585276	0	34	-1.0	-48.24	292.92	3.05	-45.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CNN=C21	REAL250004585276	1	34	-1.0	-48.27	292.96	3.04	-45.23
C=CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004585277	0	34	-1.0	-47.30	305.90	4.06	-43.24
C=CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004585277	1	34	-1.0	-47.29	305.86	4.07	-43.22
CC1CCC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585278	0	42	-1.0	-45.18	325.02	6.03	-39.15
CC1CCC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585278	1	42	-1.0	-45.23	324.77	6.04	-39.19
CN1C=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004585279	0	32	-1.0	-59.65	286.88	2.13	-57.52
CN1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004585279	1	32	-1.0	-59.68	286.92	2.12	-57.56
CC1=NOC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585280	0	35	-1.0	-47.95	309.45	4.54	-43.41
CC1=NOC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585280	1	35	-1.0	-47.99	309.49	4.54	-43.45
CC1(C)C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL250004585281	0	42	-1.0	-46.37	334.07	6.22	-40.15
CC1(C)C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL250004585281	1	42	-1.0	-46.35	334.11	6.20	-40.15
NC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585282	0	32	-1.0	-43.48	283.00	3.18	-40.30
NC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585282	1	32	-1.0	-43.51	283.04	3.17	-40.34
O=C(CC1=CN=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585283	0	31	-1.0	-51.76	280.55	3.59	-48.17
O=C(CC1=CN=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585283	1	31	-1.0	-51.73	280.51	3.59	-48.14
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN=N1	REAL250004585284	0	31	-1.0	-45.81	278.30	2.66	-43.15
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN=N1	REAL250004585284	1	31	-1.0	-45.81	278.35	2.66	-43.15
CC[C@H](C)[C@H](O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585285	0	36	-1.0	-45.54	296.53	2.56	-42.98
CC[C@H](C)[C@H](O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585285	1	36	-1.0	-45.53	296.59	2.55	-42.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(O)=C1	REAL250004585286	0	31	-1.0	-47.93	283.72	2.11	-45.82
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C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=NN=N1	REAL250004585290	0	31	-1.0	-55.66	278.84	2.54	-53.12
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=NN=N1	REAL250004585290	1	31	-1.0	-55.66	278.79	2.54	-53.12
CNC(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585291	0	33	-1.0	-47.17	290.45	0.92	-46.25
CNC(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585291	1	33	-1.0	-47.17	290.49	0.91	-46.26
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1F	REAL250004585292	0	32	-1.0	-44.41	290.53	3.74	-40.67
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1F	REAL250004585292	1	32	-1.0	-44.40	290.49	3.74	-40.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004585293	0	35	-1.0	-44.64	293.16	3.42	-41.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004585293	1	35	-1.0	-44.67	293.20	3.41	-41.26
CC1(C)CC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585294	0	39	-1.0	-46.03	324.25	6.07	-39.96
CC1(C)CC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585294	1	39	-1.0	-46.01	324.30	6.06	-39.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[C@H]1C1CC1	REAL250004585295	0	40	-1.0	-45.81	322.80	6.49	-39.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1C1CC1	REAL250004585295	1	40	-1.0	-45.82	322.84	6.48	-39.34
COC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585296	0	37	-1.0	-48.70	306.39	3.62	-45.08
COC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585296	1	37	-1.0	-48.69	306.44	3.61	-45.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCCC21	REAL250004585297	0	37	-1.0	-45.97	300.50	5.61	-40.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCCC21	REAL250004585297	1	37	-1.0	-46.01	300.54	5.60	-40.41
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CC1(C)CCC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585302	0	40	-1.0	-44.61	318.32	6.07	-38.54
CC1(C)CCC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585302	1	40	-1.0	-44.60	318.37	6.06	-38.54
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CC1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585305	0	36	-1.0	-46.08	300.59	5.28	-40.80
CC1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585305	1	36	-1.0	-46.08	300.62	5.28	-40.80
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NC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004585307	0	28	-1.0	-45.42	260.71	-2.31	-47.73
NC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004585307	1	28	-1.0	-45.44	260.67	-2.30	-47.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1F	REAL250004585308	0	30	-1.0	-49.46	263.63	3.91	-45.55
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004585309	0	38	-1.0	-45.36	306.38	6.19	-39.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004585309	1	38	-1.0	-45.37	306.41	6.18	-39.19
CC1CC2CC2CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585310	0	40	-1.0	-45.61	317.73	6.32	-39.29
CC1CC2CC2CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585310	1	40	-1.0	-45.60	317.77	6.30	-39.30
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CN1C=CC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585311	1	33	-1.0	-54.94	290.59	4.40	-50.54
CCC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004585312	0	33	-1.0	-46.99	292.86	2.91	-44.08
CCC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004585312	1	33	-1.0	-47.00	292.90	2.90	-44.10
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004585315	1	40	-1.0	-45.45	311.44	6.18	-39.27
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CC1=NOC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585317	0	32	-1.0	-52.05	287.95	3.57	-48.48
CC1=NOC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585317	1	32	-1.0	-52.07	288.00	3.56	-48.51
CCN1C(=O)NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585318	0	34	-1.0	-53.23	297.88	2.54	-50.69
CCN1C(=O)NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585318	1	34	-1.0	-53.20	298.19	2.52	-50.68
CNC1=NC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585319	0	34	-1.0	-46.63	293.01	3.45	-43.18
CNC1=NC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585319	1	34	-1.0	-46.61	292.97	3.46	-43.15
COC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585320	0	34	-1.0	-49.48	292.82	4.18	-45.30
COC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585320	1	34	-1.0	-49.50	292.86	4.18	-45.32
O=C(CC1CCC2CC2C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585321	0	40	-1.0	-46.28	318.72	6.45	-39.83
O=C(CC1CCC2CC2C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585321	1	40	-1.0	-46.31	318.76	6.44	-39.87
CC1=NSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585322	0	29	-1.0	-43.84	275.44	3.13	-40.71
CC1=NSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585322	1	29	-1.0	-43.89	275.48	3.12	-40.77
C#CC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585323	0	31	-1.0	-47.69	275.13	4.26	-43.43
C#CC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585323	1	31	-1.0	-47.68	275.17	4.25	-43.43
C=C(CCC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585324	0	33	-1.0	-44.79	284.12	4.64	-40.15
C=C(CCC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585324	1	33	-1.0	-44.76	284.17	4.63	-40.13
C#CC1(O)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585325	0	33	-1.0	-48.08	295.57	1.57	-46.51
C#CC1(O)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585325	1	33	-1.0	-48.09	295.61	1.56	-46.53
C=CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004585326	1	38	-1.0	-45.67	306.49	2.37	-43.30
C=CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004585326	1	38	-1.0	-45.56	306.65	2.34	-43.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1CF	REAL250004585327	0	30	-1.0	-47.79	269.64	4.17	-43.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1CF	REAL250004585327	1	30	-1.0	-47.76	269.69	4.16	-43.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1CCCO1	REAL250004585328	0	38	-1.0	-44.42	317.61	4.48	-39.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1CCCO1	REAL250004585328	1	38	-1.0	-44.41	317.65	4.47	-39.94
CC(C)(CF)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585329	0	32	-1.0	-43.67	274.30	3.90	-39.77
CC(C)(CF)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585329	1	32	-1.0	-43.65	274.34	3.90	-39.75
CC1=CSC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585330	0	33	-1.0	-47.50	303.01	5.36	-42.14
CC1=CSC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585330	1	33	-1.0	-47.50	303.05	5.35	-42.15
O=C(C#CC1CCCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585331	0	36	-1.0	-44.81	313.05	4.15	-40.66
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CCO1	REAL250004585333	0	32	-1.0	-48.52	276.89	3.74	-44.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCO1	REAL250004585333	1	32	-1.0	-48.51	276.93	3.73	-44.78
O=C(CC1CC(F)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585334	0	33	-1.0	-46.60	285.59	4.75	-41.85
O=C(CC1CC(F)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585334	1	33	-1.0	-46.57	285.63	4.74	-41.83
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC(C=O)=C1	REAL250004585335	0	33	-1.0	-48.28	296.08	2.99	-45.29
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC(C=O)=C1	REAL250004585335	1	33	-1.0	-48.29	296.12	2.98	-45.31
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N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585340	1	28	-1.0	-47.61	262.38	3.78	-43.83
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CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(=O)C1	REAL250004585422	0	35	-1.0	-51.79	294.53	4.13	-47.66
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COC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585430	0	33	-1.0	-47.08	291.11	2.37	-44.71
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CCCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585589	0	39	-1.0	-48.79	329.65	4.19	-44.60
CCCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585589	1	39	-1.0	-48.77	329.69	4.19	-44.58
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CN1N=CC(C#N)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585590	1	31	-1.0	-47.69	293.88	2.80	-44.89
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CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004585591	1	35	-1.0	-48.76	303.25	3.55	-45.21
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CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004585593	0	37	-1.0	-49.41	302.26	4.27	-45.14
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004585593	1	37	-1.0	-49.35	302.31	4.26	-45.09
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COCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004585595	1	35	-1.0	-47.64	308.13	2.39	-45.25
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CC1=NN(C)C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585597	0	36	-1.0	-53.34	313.34	3.66	-49.68
CC1=NN(C)C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585597	1	36	-1.0	-53.36	313.38	3.65	-49.71
CCC(C)CC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585598	0	41	-1.0	-45.50	325.91	5.82	-39.68
CCC(C)CC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585598	1	41	-1.0	-45.50	325.96	5.81	-39.69
CC1(C)CC2(CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585599	0	40	-1.0	-45.62	329.54	6.40	-39.22
CC1(C)CC2(CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585599	1	40	-1.0	-45.62	329.58	6.39	-39.23
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC1(F)F	REAL250004585601	0	27	-1.0	-46.51	254.36	3.53	-42.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC1(F)F	REAL250004585601	1	27	-1.0	-46.47	254.40	3.52	-42.95
CC12CC(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CO2	REAL250004585602	0	38	-1.0	-50.60	313.74	3.78	-46.82
CC12CC(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CO2	REAL250004585602	1	38	-1.0	-50.63	313.79	3.77	-46.86
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004585603	0	34	-1.0	-45.52	291.03	5.21	-40.31
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004585603	1	34	-1.0	-45.50	291.07	5.20	-40.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC(=O)O1	REAL250004585604	0	30	-1.0	-58.70	269.18	3.76	-54.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC(=O)O1	REAL250004585604	1	30	-1.0	-58.32	269.51	3.76	-54.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCC1	REAL250004585605	0	33	-1.0	-45.83	282.92	4.65	-41.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCC1	REAL250004585605	1	33	-1.0	-45.88	282.96	4.65	-41.23
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CC1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585618	1	42	-1.0	-44.45	323.59	6.19	-38.26
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[N-]=[N+]=NCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585626	1	31	-1.0	-49.59	282.80	-0.00	-49.59
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CNC(=O)NC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585628	1	35	-1.0	-47.53	304.03	-0.22	-47.75
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585629	0	35	-1.0	-47.20	304.47	-0.21	-47.41
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585629	1	35	-1.0	-47.23	304.52	-0.21	-47.44
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585630	0	35	-1.0	-47.56	304.00	-0.22	-47.78
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585630	1	35	-1.0	-47.54	304.04	-0.22	-47.76
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CCCC1	REAL250004585631	0	37	-1.0	-44.92	300.36	5.52	-39.40
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CCCC1	REAL250004585631	1	37	-1.0	-44.89	300.40	5.51	-39.38
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CC(C)(F)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585633	0	35	-1.0	-45.80	296.34	4.68	-41.12
CC(C)(F)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585633	1	35	-1.0	-45.78	296.38	4.67	-41.11
CCC1=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004585634	0	35	-1.0	-43.40	305.51	4.40	-39.00
CCC1=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004585634	1	35	-1.0	-43.39	305.55	4.39	-39.00
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COCC(C)(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585636	0	37	-1.0	-47.52	307.93	1.42	-46.10
COCC(C)(O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585636	1	37	-1.0	-47.53	307.97	1.41	-46.12
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL250004585637	0	33	-1.0	-45.05	296.18	5.37	-39.68
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL250004585637	1	33	-1.0	-45.02	296.23	5.37	-39.65
CCC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585639	0	34	-1.0	-54.50	297.18	4.01	-50.49
CCC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585639	1	34	-1.0	-54.51	297.22	4.02	-50.49
CCC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004585640	0	35	-1.0	-45.36	306.70	4.60	-40.76
CCC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004585640	1	35	-1.0	-45.33	306.74	4.59	-40.74
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SN=C1	REAL250004585641	0	29	-1.0	-43.61	271.29	3.21	-40.40
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SN=C1	REAL250004585641	1	29	-1.0	-43.64	271.54	3.21	-40.43
CC(C)(CCC#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585642	0	36	-1.0	-53.54	304.38	4.82	-48.72
CC(C)(CCC#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585642	1	36	-1.0	-53.54	304.42	4.81	-48.73
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585643	0	35	-1.0	-44.51	292.93	4.49	-40.02
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585643	1	35	-1.0	-44.79	293.22	4.47	-40.32
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CC2C1	REAL250004585644	0	35	-1.0	-44.76	298.36	5.00	-39.76
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CC2C1	REAL250004585644	1	35	-1.0	-44.07	298.10	5.00	-39.07
C#CCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585645	0	29	-1.0	-52.23	271.20	3.37	-48.86
C#CCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585645	1	29	-1.0	-52.31	271.23	3.36	-48.95
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585646	0	29	-1.0	-49.05	264.50	4.53	-44.52
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585646	1	29	-1.0	-49.01	264.55	4.52	-44.49
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CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL250004585652	0	34	-1.0	-51.48	295.21	4.97	-46.51
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL250004585652	1	34	-1.0	-51.47	295.25	4.97	-46.50
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CC1=NC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004585654	0	36	-1.0	-46.81	303.05	0.15	-46.66
CC1=NC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004585654	1	36	-1.0	-46.78	303.11	0.17	-46.61
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CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004585658	1	40	-1.0	-50.92	326.67	5.02	-45.90
CCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004585659	0	41	-1.0	-46.49	305.30	4.99	-41.50
CCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004585659	1	41	-1.0	-46.47	305.36	5.01	-41.46
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CC1=CC=CC=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004585660	1	42	-1.0	-48.22	336.80	6.85	-41.37
CCN1N=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004585661	0	38	-1.0	-52.30	324.02	4.18	-48.12
CCN1N=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004585661	1	38	-1.0	-52.33	323.97	4.17	-48.16
CC1(C)CN(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004585662	0	44	-1.0	-47.67	343.49	0.46	-47.21
CC1(C)CN(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004585662	1	44	-1.0	-47.70	343.55	0.47	-47.23
CC1=NOC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)C=C12	REAL250004585663	0	33	-1.0	-50.62	292.76	0.37	-50.25
CC1=NOC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)C=C12	REAL250004585663	1	33	-1.0	-50.65	292.82	0.38	-50.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(F)C=CC=C21	REAL250004585664	0	36	-1.0	-47.32	308.42	4.79	-42.53
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(F)C=CC=C21	REAL250004585664	1	36	-1.0	-47.31	308.48	4.80	-42.51
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1CCCC1	REAL250004585665	0	38	-1.0	-51.22	314.21	1.02	-50.20
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1CCCC1	REAL250004585665	1	38	-1.0	-51.24	314.27	1.03	-50.21
CC(C)(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004585666	0	38	-1.0	-52.65	315.27	3.12	-49.53
CC(C)(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004585666	1	38	-1.0	-52.62	315.21	3.11	-49.51
O=C(CCCC1=NN=N[N-]1)NC1=CN(C(F)F)N=C1	REAL250004585667	0	29	-1.0	-48.58	268.65	1.31	-47.27
O=C(CCCC1=N[N-]N=N1)NC1=CN(C(F)F)N=C1	REAL250004585667	1	29	-1.0	-48.58	268.59	1.29	-47.29
CN(C)C(=O)C1CSCN1C(=O)CCCC1=N[N-]N=N1	REAL250004585668	0	37	-1.0	-55.89	314.34	2.66	-53.23
CN(C)C(=O)C1CSCN1C(=O)CCCC1=NN=N[N-]1	REAL250004585668	1	37	-1.0	-55.92	314.41	2.68	-53.24
O=C(CCCC1=N[N-]N=N1)N1CCCSCC1	REAL250004585669	0	33	-1.0	-48.26	274.13	4.29	-43.97
O=C(CCCC1=NN=N[N-]1)N1CCCSCC1	REAL250004585669	1	33	-1.0	-48.29	274.18	4.31	-43.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCSCC1	REAL250004585670	0	33	-1.0	-35.63	278.65	4.92	-30.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCSCC1	REAL250004585670	1	33	-1.0	-35.59	278.72	4.95	-30.64
CC1=CC=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)NC2=C1	REAL250004585671	0	37	-1.0	-52.51	305.46	4.75	-47.76
CC1=CC=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)NC2=C1	REAL250004585671	1	37	-1.0	-52.50	305.40	4.73	-47.77
CS(=O)(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585672	0	34	-1.0	-59.30	297.77	-2.20	-61.50
CS(=O)(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585672	1	34	-1.0	-59.30	297.82	-2.17	-61.47
CC1=NNC(C)=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585673	0	39	-1.0	-51.71	321.26	3.02	-48.69
CC1=NNC(C)=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585673	1	39	-1.0	-51.68	321.20	2.99	-48.69
O=C(C1=CC=C2CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585674	0	37	-1.0	-43.56	290.71	4.98	-38.58
O=C(C1=CC=C2CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585674	1	37	-1.0	-43.54	290.76	4.98	-38.56
O=C(CCC1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004585675	0	33	-1.0	-51.39	290.95	4.56	-46.83
O=C(CCC1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004585675	1	33	-1.0	-51.41	291.01	4.58	-46.83
O=C(COCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585676	0	37	-1.0	-57.33	313.79	5.07	-52.26
O=C(COCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585676	1	37	-1.0	-57.33	313.85	5.10	-52.23
CCC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585677	0	42	-1.0	-51.53	343.61	6.91	-44.62
CCC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585677	1	42	-1.0	-51.52	343.66	6.93	-44.59
O=C(CCC1=CC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585678	0	36	-1.0	-52.02	306.21	5.51	-46.51
O=C(CCC1=CC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585678	1	36	-1.0	-52.02	306.26	5.53	-46.49
O=C(C1=CC=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585679	0	30	-1.0	-54.33	257.12	3.61	-50.72
O=C(C1=CC=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585679	1	30	-1.0	-54.35	257.17	3.64	-50.71
O=C(C1=CC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585680	0	36	-1.0	-56.21	296.18	5.90	-50.31
O=C(C1=CC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585680	1	36	-1.0	-56.21	296.12	5.89	-50.32
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585681	0	33	-1.0	-54.78	272.16	4.24	-50.54
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585681	1	33	-1.0	-54.79	272.10	4.21	-50.58
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCCC1C1=N[N-]N=N1	REAL250004585682	0	29	-1.0	-45.67	266.33	2.67	-43.00
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCCC1C1=NN=N[N-]1	REAL250004585682	1	29	-1.0	-45.70	266.39	2.69	-43.01
O=C(C1=CC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004585683	0	30	-1.0	-40.40	257.67	3.59	-36.81
O=C(C1=CC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004585683	1	30	-1.0	-40.43	257.73	3.59	-36.84
CC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004585684	0	34	-1.0	-53.24	292.66	4.16	-49.08
CC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004585684	1	34	-1.0	-53.22	292.72	4.18	-49.04
O=C(CNC(=O)C1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004585685	0	34	-1.0	-51.74	297.84	0.46	-51.28
O=C(CNC(=O)C1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004585685	1	34	-1.0	-51.74	297.90	0.48	-51.26
O=C(C1CC2C=CC1C2)N1CCCC1C1=N[N-]N=N1	REAL250004585686	0	35	-1.0	-53.41	275.16	4.27	-49.14
O=C(C1CC2C=CC1C2)N1CCCC1C1=NN=N[N-]1	REAL250004585686	1	35	-1.0	-53.40	275.21	4.30	-49.10
CC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585687	0	36	-1.0	-52.97	296.39	5.20	-47.77
CC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585687	1	36	-1.0	-52.97	296.44	5.22	-47.75
O=C(C1=COCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004585688	0	30	-1.0	-51.72	250.85	0.97	-50.75
O=C(C1=COCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004585688	1	30	-1.0	-51.71	250.91	0.99	-50.72
O=C(C1=CC=C(F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004585689	0	30	-1.0	-37.18	264.06	3.65	-33.53
O=C(C1=CC=C(F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004585689	1	30	-1.0	-37.18	264.12	3.65	-33.53
O=C(C1=CNC(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585690	0	30	-1.0	-42.60	249.60	0.01	-42.59
O=C(C1=CNC(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585690	1	30	-1.0	-42.61	249.65	0.01	-42.60
O=C(CSC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585691	0	33	-1.0	-53.30	292.97	3.37	-49.93
O=C(CSC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585691	1	33	-1.0	-53.30	293.02	3.40	-49.90
CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585692	0	37	-1.0	-57.21	309.56	5.26	-51.95
CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585692	1	37	-1.0	-57.21	309.62	5.29	-51.92
CC1=NOC(C)=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585693	0	38	-1.0	-51.60	317.94	4.25	-47.35
CC1=NOC(C)=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585693	1	38	-1.0	-51.62	318.00	4.28	-47.34
O=C(CN1C=CC=CC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585694	0	33	-1.0	-68.63	283.41	3.25	-65.38
O=C(CN1C=CC=CC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585694	1	33	-1.0	-68.67	283.47	3.28	-65.39
CC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585695	0	37	-1.0	-53.62	309.64	5.83	-47.79
CC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585695	1	37	-1.0	-53.68	309.69	5.85	-47.83
CC(C)CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585696	0	42	-1.0	-52.45	332.41	6.27	-46.18
CC(C)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585696	1	42	-1.0	-52.44	332.47	6.29	-46.15
COCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585697	0	37	-1.0	-52.78	306.35	3.32	-49.46
COCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585697	1	37	-1.0	-52.79	306.41	3.33	-49.46
O=C(CC1=CC=C2CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585698	0	40	-1.0	-53.98	324.78	6.59	-47.39
O=C(CC1=CC=C2CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585698	1	40	-1.0	-53.97	324.84	6.61	-47.36
O=C(C1=CC=CN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004585699	0	29	-1.0	-39.54	252.74	1.77	-37.77
O=C(C1=CC=CN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004585699	1	29	-1.0	-39.53	252.68	1.75	-37.78
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004585700	0	39	-1.0	-50.86	314.08	5.91	-44.95
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004585700	1	39	-1.0	-50.83	314.14	5.93	-44.90
CSC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585701	0	34	-1.0	-52.18	291.33	4.59	-47.59
CSC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585701	1	34	-1.0	-52.18	291.39	4.61	-47.57
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585702	0	34	-1.0	-54.10	285.78	0.36	-53.74
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585702	1	34	-1.0	-54.13	285.84	0.38	-53.75
O=C(CC1=CC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585703	0	33	-1.0	-57.79	284.66	4.70	-53.09
O=C(CC1=CC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585703	1	33	-1.0	-57.80	284.71	4.73	-53.07
CC1=CC=CC=C1OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585704	0	37	-1.0	-56.78	308.23	5.30	-51.48
CC1=CC=CC=C1OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585704	1	37	-1.0	-56.76	308.28	5.32	-51.44
O=C(CCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585705	0	36	-1.0	-51.67	300.72	5.47	-46.20
O=C(CCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585705	1	36	-1.0	-51.66	300.77	5.49	-46.17
O=C(CC1=CNC2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004585706	0	37	-1.0	-58.91	311.16	4.72	-54.19
O=C(CC1=CNC2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004585706	1	37	-1.0	-58.90	311.22	4.75	-54.15
CC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585707	0	33	-1.0	-62.23	280.01	-0.00	-62.23
CC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585707	1	33	-1.0	-62.22	280.07	0.03	-62.19
O=C(CN1CCCCCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585708	0	40	-1.0	-65.64	311.27	3.67	-61.97
O=C(CN1CCCCCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585708	1	40	-1.0	-65.67	311.33	3.70	-61.97
CCC1=C(C)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585709	0	36	-1.0	-54.16	303.22	4.59	-49.57
CCC1=C(C)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585709	1	36	-1.0	-54.22	303.28	4.62	-49.60
CSCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004585710	0	34	-1.0	-51.86	302.51	4.08	-47.78
CSCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004585710	1	34	-1.0	-51.88	302.57	4.11	-47.77
O=C(CSC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585711	0	34	-1.0	-53.98	297.85	5.14	-48.84
O=C(CSC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585711	1	34	-1.0	-53.93	297.91	5.17	-48.76
COC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585712	0	37	-1.0	-53.95	307.55	4.02	-49.93
COC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585712	1	37	-1.0	-53.94	307.61	4.04	-49.90
O=C(CN1C(=O)CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585713	0	32	-1.0	-62.16	279.62	-0.83	-62.99
O=C(CN1C(=O)CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585713	1	32	-1.0	-62.13	279.68	-0.81	-62.94
O=C(CCCC1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004585714	0	36	-1.0	-53.39	312.44	5.34	-48.05
O=C(CCCC1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004585714	1	36	-1.0	-53.39	312.50	5.36	-48.03
O=C(C1=CC=C(CO)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585715	0	34	-1.0	-55.36	284.11	0.92	-54.44
O=C(C1=CC=C(CO)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585715	1	34	-1.0	-55.37	284.16	0.93	-54.44
O=C(C1=CC2=NC=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585716	0	34	-1.0	-54.85	286.93	2.01	-52.84
O=C(C1=CC2=NC=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585716	1	34	-1.0	-54.91	286.87	1.98	-52.93
O=C(COC1=CC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585717	0	34	-1.0	-62.06	294.37	4.65	-57.41
O=C(COC1=CC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585717	1	34	-1.0	-62.10	294.43	4.67	-57.43
CC1=CC=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585718	0	37	-1.0	-53.79	305.75	5.68	-48.11
CC1=CC=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585718	1	37	-1.0	-53.80	305.81	5.69	-48.11
CC1=CC=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585719	0	37	-1.0	-53.84	309.62	5.81	-48.03
CC1=CC=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585719	1	37	-1.0	-53.83	309.68	5.84	-47.99
N#CC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585720	0	35	-1.0	-54.08	308.96	5.56	-48.52
N#CC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585720	1	35	-1.0	-54.06	309.02	5.57	-48.49
O=C(CN1C(=O)CCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585721	0	33	-1.0	-61.06	284.95	1.70	-59.36
O=C(CN1C(=O)CCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585721	1	33	-1.0	-61.13	285.01	1.72	-59.41
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N1C	REAL250004585722	0	37	-1.0	-57.28	293.34	4.18	-53.10
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N1C	REAL250004585722	1	37	-1.0	-57.30	293.40	4.20	-53.10
NC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004585723	0	39	-1.0	-60.59	303.57	0.15	-60.44
NC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004585723	1	39	-1.0	-60.55	303.63	0.17	-60.38
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004585724	0	39	-1.0	-53.64	317.65	5.87	-47.77
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004585724	1	39	-1.0	-53.64	317.71	5.89	-47.75
N#CC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585725	0	35	-1.0	-56.63	309.00	4.99	-51.64
N#CC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585725	1	35	-1.0	-56.66	309.06	5.02	-51.64
CC1=NC(CC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004585726	0	32	-1.0	-55.50	284.70	2.54	-52.96
CC1=NC(CC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004585726	1	32	-1.0	-55.51	284.75	2.57	-52.94
CC(C)(C)SCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585727	0	36	-1.0	-53.97	298.71	4.12	-49.85
CC(C)(C)SCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585727	1	36	-1.0	-53.95	298.77	4.14	-49.81
O=C(COC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585728	0	34	-1.0	-55.11	294.59	4.66	-50.45
O=C(COC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585728	1	34	-1.0	-55.08	294.65	4.68	-50.40
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC1C1=N[N-]N=N1	REAL250004585729	0	29	-1.0	-47.50	271.35	3.31	-44.19
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC1C1=NN=N[N-]1	REAL250004585729	1	29	-1.0	-47.52	271.41	3.34	-44.18
N#CC1=CC=CC=C1OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585730	0	35	-1.0	-66.76	308.38	4.99	-61.77
N#CC1=CC=CC=C1OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585730	1	35	-1.0	-66.77	308.44	5.00	-61.77
O=C(CCC1NC(=O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585731	0	35	-1.0	-58.35	298.59	-2.07	-60.42
O=C(CCC1NC(=O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585731	1	35	-1.0	-58.36	298.65	-2.05	-60.41
CC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004585732	0	40	-1.0	-59.83	309.70	2.67	-57.16
CC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004585732	1	40	-1.0	-59.83	309.76	2.69	-57.14
CC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585733	0	37	-1.0	-56.79	309.59	5.26	-51.53
CC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585733	1	37	-1.0	-56.75	309.64	5.29	-51.46
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC1=O	REAL250004585734	0	32	-1.0	-49.14	274.54	1.30	-47.84
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC1=O	REAL250004585734	1	32	-1.0	-49.10	274.60	1.33	-47.77
CSC1=CC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585735	0	34	-1.0	-43.08	280.84	4.08	-39.00
CSC1=CC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585735	1	34	-1.0	-43.10	280.91	4.08	-39.02
O=C(C1=CC=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585736	0	35	-1.0	-63.24	292.89	4.30	-58.94
O=C(C1=CC=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585736	1	35	-1.0	-63.23	292.83	4.29	-58.94
CC(OC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585737	0	37	-1.0	-57.95	300.58	4.88	-53.07
CC(OC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585737	1	37	-1.0	-57.95	300.64	4.91	-53.04
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585738	0	30	-1.0	-54.92	257.78	2.20	-52.72
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585738	1	30	-1.0	-54.92	257.83	2.21	-52.71
COC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585739	0	37	-1.0	-53.82	308.76	3.97	-49.85
COC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585739	1	37	-1.0	-53.83	308.81	3.99	-49.84
O=C(CCC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004585740	0	42	-1.0	-51.66	321.42	5.65	-46.01
O=C(CCC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004585740	1	42	-1.0	-51.68	321.47	5.67	-46.01
O=C(COC1=CC=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004585741	0	35	-1.0	-59.33	298.92	2.27	-57.06
O=C(COC1=CC=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004585741	1	35	-1.0	-59.41	298.97	2.30	-57.11
O=C(C1=CC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL250004585742	0	27	-1.0	-49.47	258.51	3.10	-46.37
O=C(C1=CC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL250004585742	1	27	-1.0	-49.47	258.57	3.13	-46.34
CC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585743	0	39	-1.0	-52.44	311.45	5.50	-46.94
CC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585743	1	39	-1.0	-52.46	311.51	5.52	-46.94
O=C(CC1=CC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004585744	0	33	-1.0	-54.62	293.12	5.09	-49.53
O=C(CC1=CC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004585744	1	33	-1.0	-54.67	293.17	5.11	-49.56
N#CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585745	0	31	-1.0	-52.33	271.58	3.93	-48.40
N#CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585745	1	31	-1.0	-52.29	271.64	3.95	-48.34
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004585746	0	38	-1.0	-50.46	320.95	5.29	-45.17
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004585746	1	38	-1.0	-50.44	321.00	5.31	-45.13
O=C(CC1=CC=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585747	0	33	-1.0	-51.43	285.66	4.74	-46.69
O=C(CC1=CC=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585747	1	33	-1.0	-51.44	285.72	4.76	-46.68
O=C(CC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004585748	0	39	-1.0	-52.30	299.11	4.94	-47.36
O=C(CC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004585748	1	39	-1.0	-52.33	299.17	4.96	-47.37
CC(=O)NC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585749	0	33	-1.0	-49.39	276.48	-0.04	-49.43
CC(=O)NC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585749	1	33	-1.0	-49.40	276.54	-0.02	-49.42
CC(NC(N)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585750	0	32	-1.0	-49.90	269.54	-2.80	-52.70
CC(NC(N)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585750	1	32	-1.0	-49.90	269.60	-2.79	-52.69
CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585751	0	37	-1.0	-52.45	302.55	3.82	-48.63
CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585751	1	37	-1.0	-52.44	302.61	3.84	-48.60
O=C(C1=CC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004585752	0	33	-1.0	-52.09	282.90	4.45	-47.64
O=C(C1=CC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004585752	1	33	-1.0	-52.06	282.85	4.42	-47.64
O=C(C1=NNC(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585753	0	29	-1.0	-48.01	253.21	-0.32	-48.33
O=C(C1=NNC(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585753	1	29	-1.0	-48.00	253.27	-0.29	-48.29
O=C(CC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585754	0	33	-1.0	-52.00	285.65	4.73	-47.27
O=C(CC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585754	1	33	-1.0	-51.99	285.70	4.76	-47.23
CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004585755	0	31	-1.0	-53.32	264.94	1.48	-51.84
CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004585755	1	31	-1.0	-53.31	264.99	1.50	-51.81
O=C(C1=CC=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585756	0	30	-1.0	-38.69	256.07	3.21	-35.48
O=C(C1=CC=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585756	1	30	-1.0	-38.72	256.14	3.22	-35.50
O=C(CC1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585757	0	30	-1.0	-52.01	269.25	3.61	-48.40
O=C(CC1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585757	1	30	-1.0	-52.02	269.31	3.63	-48.39
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585758	0	33	-1.0	-53.19	272.75	4.28	-48.91
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585758	1	33	-1.0	-53.20	272.69	4.26	-48.94
O=C(COC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585759	0	34	-1.0	-56.89	288.24	4.57	-52.32
O=C(COC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585759	1	34	-1.0	-56.89	288.30	4.60	-52.29
O=C(C1=CC2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585760	0	36	-1.0	-55.30	296.91	5.82	-49.48
O=C(C1=CC2=CC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585760	1	36	-1.0	-55.32	296.88	5.80	-49.52
COC1=CC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585761	0	34	-1.0	-45.19	272.44	3.65	-41.54
COC1=CC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585761	1	34	-1.0	-45.21	272.50	3.65	-41.56
O=C(C1=NC2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585762	0	35	-1.0	-54.75	294.81	4.88	-49.87
O=C(C1=NC2=CC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585762	1	35	-1.0	-54.74	294.75	4.86	-49.88
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585763	0	42	-1.0	-53.42	326.83	5.87	-47.55
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585763	1	42	-1.0	-53.44	326.88	5.89	-47.55
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585764	0	32	-1.0	-48.35	279.47	4.25	-44.10
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585764	1	32	-1.0	-48.35	279.53	4.27	-44.08
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL250004585765	0	30	-1.0	-52.70	258.34	3.16	-49.54
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL250004585765	1	30	-1.0	-52.64	258.40	3.19	-49.45
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004585766	0	30	-1.0	-52.75	264.09	3.39	-49.36
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004585766	1	30	-1.0	-52.73	264.15	3.40	-49.33
O=C(C1=CC=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585767	0	30	-1.0	-53.62	267.43	4.05	-49.57
O=C(C1=CC=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585767	1	30	-1.0	-53.60	267.49	4.08	-49.52
O=C(C=CC1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004585768	0	31	-1.0	-53.29	270.76	3.34	-49.95
O=C(C=CC1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004585768	1	31	-1.0	-53.28	270.82	3.36	-49.92
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585769	0	34	-1.0	-52.69	280.70	2.89	-49.80
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585769	1	34	-1.0	-52.68	280.75	2.90	-49.78
O=C(C1=CC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585770	0	30	-1.0	-42.71	249.68	3.16	-39.55
O=C(C1=CC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585770	1	30	-1.0	-42.69	249.74	3.16	-39.53
O=C(C1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004585771	0	31	-1.0	-57.12	260.59	-0.49	-57.61
O=C(C1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004585771	1	31	-1.0	-57.14	260.65	-0.46	-57.60
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585772	0	36	-1.0	-52.70	294.18	5.03	-47.67
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585772	1	36	-1.0	-52.66	294.24	5.04	-47.62
COC1=CC=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585773	0	38	-1.0	-55.85	317.76	4.45	-51.40
COC1=CC=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585773	1	38	-1.0	-55.91	317.82	4.47	-51.44
O=C(C1=NNC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585774	0	33	-1.0	-56.92	280.59	2.87	-54.05
O=C(C1=NNC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585774	1	33	-1.0	-56.92	280.54	2.85	-54.07
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585775	0	34	-1.0	-57.04	280.19	2.84	-54.20
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585775	1	34	-1.0	-57.03	280.24	2.87	-54.16
COC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585776	0	37	-1.0	-54.33	308.75	3.97	-50.36
COC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585776	1	37	-1.0	-54.36	308.80	3.99	-50.37
COC1=CC=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585777	0	38	-1.0	-58.39	316.57	4.52	-53.87
COC1=CC=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585777	1	38	-1.0	-58.42	316.63	4.54	-53.88
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585778	0	30	-1.0	-48.65	258.30	1.79	-46.86
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585778	1	30	-1.0	-48.65	258.35	1.77	-46.88
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL250004585779	0	36	-1.0	-55.30	293.19	4.91	-50.39
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL250004585779	1	36	-1.0	-55.31	293.27	4.93	-50.38
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585780	0	33	-1.0	-51.86	276.75	2.20	-49.66
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585780	1	33	-1.0	-51.90	276.81	2.23	-49.67
O=C(C1=CC=C(Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585781	0	29	-1.0	-48.59	262.54	2.15	-46.44
O=C(C1=CC=C(Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585781	1	29	-1.0	-48.54	262.49	2.13	-46.41
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585782	0	31	-1.0	-50.59	272.10	3.98	-46.61
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585782	1	31	-1.0	-50.62	272.16	3.99	-46.63
CC1=CC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585783	0	33	-1.0	-52.33	270.85	4.25	-48.08
CC1=CC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585783	1	33	-1.0	-52.29	270.79	4.24	-48.05
CN(C)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585784	0	38	-1.0	-55.85	302.20	3.94	-51.91
CN(C)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585784	1	38	-1.0	-55.85	302.25	3.97	-51.88
CN(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585785	0	38	-1.0	-54.77	303.55	4.01	-50.76
CN(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585785	1	38	-1.0	-54.74	303.61	4.03	-50.71
CC1=CC=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585786	0	36	-1.0	-55.16	293.21	4.91	-50.25
CC1=CC=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585786	1	36	-1.0	-55.18	293.27	4.93	-50.25
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1	REAL250004585787	0	36	-1.0	-42.20	287.70	4.41	-37.79
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1	REAL250004585787	1	36	-1.0	-42.22	287.74	4.40	-37.82
O=C(CC1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585788	0	33	-1.0	-51.50	295.97	5.19	-46.31
O=C(CC1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585788	1	33	-1.0	-51.50	296.03	5.21	-46.29
O=C(CCC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004585789	0	39	-1.0	-51.84	304.93	5.07	-46.77
O=C(CCC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004585789	1	39	-1.0	-51.89	304.99	5.09	-46.80
O=C(C1=CC=CC(Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585790	0	29	-1.0	-51.03	265.42	3.16	-47.87
O=C(C1=CC=CC(Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585790	1	29	-1.0	-51.06	265.36	3.14	-47.92
O=C(C1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585791	0	30	-1.0	-49.62	257.69	3.64	-45.98
O=C(C1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585791	1	30	-1.0	-49.62	257.75	3.66	-45.96
O=C(C1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585792	0	30	-1.0	-49.60	268.01	4.10	-45.50
O=C(C1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585792	1	30	-1.0	-49.59	268.07	4.12	-45.47
O=C(CC1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004585793	0	30	-1.0	-52.76	269.47	3.78	-48.98
O=C(CC1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004585793	1	30	-1.0	-52.76	269.52	3.81	-48.95
CC1=NOC(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585794	0	35	-1.0	-56.18	296.40	3.45	-52.73
CC1=NOC(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585794	1	35	-1.0	-56.19	296.45	3.47	-52.72
O=C(C1=CC=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585795	0	30	-1.0	-47.34	264.04	3.70	-43.64
O=C(C1=CC=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585795	1	30	-1.0	-47.32	264.09	3.72	-43.60
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL250004585796	0	34	-1.0	-51.49	286.35	2.92	-48.57
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL250004585796	1	34	-1.0	-51.48	286.41	2.95	-48.53
O=C(C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004585797	0	34	-1.0	-54.85	267.24	1.52	-53.33
O=C(C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004585797	1	34	-1.0	-54.88	267.30	1.55	-53.33
O=C(CCC1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585798	0	33	-1.0	-50.57	290.65	4.40	-46.17
O=C(CCC1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585798	1	33	-1.0	-50.59	290.71	4.43	-46.16
CCC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585799	0	40	-1.0	-53.40	331.12	6.59	-46.81
CCC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585799	1	40	-1.0	-53.40	331.18	6.62	-46.78
CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004585800	0	37	-1.0	-63.97	304.24	5.30	-58.67
CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004585800	1	37	-1.0	-63.96	304.18	5.28	-58.68
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL250004585801	0	33	-1.0	-52.56	282.07	4.10	-48.46
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL250004585801	1	33	-1.0	-52.54	282.12	4.12	-48.42
NC(=O)NCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585802	0	38	-1.0	-61.76	316.04	-1.22	-62.98
NC(=O)NCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585802	1	38	-1.0	-61.80	316.10	-1.19	-62.99
COCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585803	0	37	-1.0	-56.89	305.77	3.27	-53.62
COCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585803	1	37	-1.0	-56.88	305.83	3.29	-53.59
O=C(C1=CC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL250004585804	0	33	-1.0	-53.87	288.50	4.91	-48.96
O=C(C1=CC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL250004585804	1	33	-1.0	-53.84	288.45	4.88	-48.96
O=C(CCC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585805	0	36	-1.0	-50.41	307.13	5.53	-44.88
O=C(CCC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585805	1	36	-1.0	-50.43	307.18	5.56	-44.87
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL250004585806	0	34	-1.0	-42.90	279.06	2.45	-40.45
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL250004585806	1	34	-1.0	-42.94	279.12	2.45	-40.49
O=C(C1=CC(F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585807	0	30	-1.0	-42.31	256.10	3.23	-39.08
O=C(C1=CC(F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585807	1	30	-1.0	-42.31	256.16	3.22	-39.09
O=C(CCC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585808	0	35	-1.0	-51.29	295.49	3.69	-47.60
O=C(CCC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585808	1	35	-1.0	-51.29	295.55	3.72	-47.57
CC(C)(C)C(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585809	0	39	-1.0	-48.47	316.66	1.39	-47.08
CC(C)(C)C(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585809	1	39	-1.0	-48.45	316.72	1.41	-47.04
O=C(C1=CC2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL250004585810	0	34	-1.0	-53.27	283.56	4.08	-49.19
O=C(C1=CC2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL250004585810	1	34	-1.0	-53.26	283.50	4.06	-49.20
O=C(CN1CCCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585811	0	34	-1.0	-64.29	284.29	2.31	-61.98
O=C(CN1CCCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585811	1	34	-1.0	-64.32	284.35	2.34	-61.98
O=C(C1=CC=C2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585812	0	40	-1.0	-42.05	307.08	5.52	-36.53
O=C(C1=CC=C2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585812	1	40	-1.0	-42.03	307.15	5.52	-36.51
O=C(CC1CCS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004585813	0	36	-1.0	-56.60	301.05	0.32	-56.28
O=C(CC1CCS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004585813	1	36	-1.0	-56.60	301.11	0.34	-56.26
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585814	0	36	-1.0	-53.08	300.65	5.34	-47.74
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585814	1	36	-1.0	-53.12	300.70	5.37	-47.75
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SN=N1	REAL250004585815	0	31	-1.0	-47.39	271.36	1.48	-45.91
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SN=N1	REAL250004585815	1	31	-1.0	-47.36	271.41	1.51	-45.85
O=C(C1=CN2C=CC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585816	0	33	-1.0	-57.25	282.05	4.93	-52.32
O=C(C1=CN2C=CC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585816	1	33	-1.0	-57.22	281.99	4.90	-52.32
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL250004585817	0	33	-1.0	-52.97	278.05	4.30	-48.67
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL250004585817	1	33	-1.0	-52.98	278.10	4.32	-48.66
O=C(CN1CCSC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585818	0	32	-1.0	-55.92	283.12	1.98	-53.94
O=C(CN1CCSC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585818	1	32	-1.0	-55.87	283.18	2.01	-53.86
O=C(C1=CC2=C(CCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL250004585819	0	34	-1.0	-54.26	287.44	4.50	-49.76
O=C(C1=CC2=C(CCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL250004585819	1	34	-1.0	-54.22	287.49	4.54	-49.68
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585820	0	34	-1.0	-53.86	289.88	2.93	-50.93
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585820	1	34	-1.0	-53.83	289.82	2.90	-50.93
CC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585821	0	34	-1.0	-62.36	285.34	3.15	-59.21
CC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585821	1	34	-1.0	-62.37	285.40	3.18	-59.19
CC1=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004585822	0	33	-1.0	-55.59	287.97	1.54	-54.05
CC1=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004585822	1	33	-1.0	-55.60	288.03	1.56	-54.04
O=C(CN1C=CC(=O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585823	0	33	-1.0	-55.59	288.14	0.50	-55.09
O=C(CN1C=CC(=O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585823	1	33	-1.0	-55.55	288.20	0.52	-55.03
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL250004585824	0	37	-1.0	-42.92	300.77	3.28	-39.64
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL250004585824	1	37	-1.0	-42.92	300.83	3.29	-39.63
O=C(C1COC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004585825	0	38	-1.0	-50.63	305.02	4.21	-46.42
O=C(C1COC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004585825	1	38	-1.0	-50.62	305.07	4.24	-46.38
CC1=NNC(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585826	0	36	-1.0	-56.75	299.85	2.24	-54.51
CC1=NNC(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585826	1	36	-1.0	-56.75	299.79	2.22	-54.53
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004585827	0	36	-1.0	-52.19	300.60	5.11	-47.08
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004585827	1	36	-1.0	-52.16	300.66	5.14	-47.02
CC(=O)N1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004585828	0	40	-1.0	-54.58	310.83	2.72	-51.86
CC(=O)N1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004585828	1	40	-1.0	-54.63	310.89	2.74	-51.89
O=C(C1CCS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004585829	0	33	-1.0	-62.35	281.40	-0.55	-62.90
O=C(C1CCS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004585829	1	33	-1.0	-62.40	281.46	-0.54	-62.94
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004585830	0	33	-1.0	-52.33	285.57	4.18	-48.15
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004585830	1	33	-1.0	-52.34	285.63	4.20	-48.14
O=C(C1CC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004585831	0	35	-1.0	-57.64	292.63	4.82	-52.82
O=C(C1CC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004585831	1	35	-1.0	-57.63	292.69	4.84	-52.79
CC1=NOC(C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585832	0	32	-1.0	-50.41	278.44	2.81	-47.60
CC1=NOC(C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585832	1	32	-1.0	-50.43	278.50	2.84	-47.59
O=C(CCN1C(=O)CCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585833	0	36	-1.0	-61.11	306.06	2.11	-59.00
O=C(CCN1C(=O)CCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585833	1	36	-1.0	-61.16	306.12	2.14	-59.02
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004585834	0	32	-1.0	-53.41	285.36	3.05	-50.36
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004585834	1	32	-1.0	-53.39	285.42	3.08	-50.31
O=C(CCN1CCSC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585835	0	35	-1.0	-62.15	304.22	2.40	-59.75
O=C(CCN1CCSC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585835	1	35	-1.0	-62.17	304.28	2.43	-59.74
CN1CC(=O)N(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004585836	0	35	-1.0	-62.90	301.60	1.58	-61.32
CN1CC(=O)N(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004585836	1	35	-1.0	-62.86	301.66	1.60	-61.26
NC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585837	0	32	-1.0	-62.25	272.95	-2.79	-65.04
NC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585837	1	32	-1.0	-62.24	273.01	-2.77	-65.01
O=C(CN1CSCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585838	0	32	-1.0	-59.79	283.53	2.01	-57.78
O=C(CN1CSCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585838	1	32	-1.0	-59.79	283.59	2.04	-57.75
O=C(CC1=NOC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585839	0	35	-1.0	-62.99	302.59	3.99	-59.00
O=C(CC1=NOC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585839	1	35	-1.0	-63.00	302.65	4.02	-58.98
CCC1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004585840	0	36	-1.0	-53.54	303.19	4.61	-48.93
CCC1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004585840	1	36	-1.0	-53.55	303.25	4.64	-48.91
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SN=N1	REAL250004585841	0	28	-1.0	-47.53	249.86	0.76	-46.77
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SN=N1	REAL250004585841	1	28	-1.0	-47.54	249.91	0.79	-46.75
CN1C=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004585842	0	34	-1.0	-56.11	291.89	2.98	-53.13
CN1C=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004585842	1	34	-1.0	-56.12	291.95	2.99	-53.13
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004585843	0	33	-1.0	-49.59	280.63	4.54	-45.05
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004585843	1	33	-1.0	-49.62	280.69	4.56	-45.06
O=C(C1=CC=NC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585844	0	29	-1.0	-48.71	262.54	2.24	-46.47
O=C(C1=CC=NC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585844	1	29	-1.0	-48.67	262.49	2.22	-46.45
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004585845	0	33	-1.0	-51.70	277.67	0.27	-51.43
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004585845	1	33	-1.0	-51.72	277.61	0.26	-51.46
O=C(C1=CC2=NNN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585846	0	32	-1.0	-40.30	263.77	0.27	-40.03
O=C(C1=CC2=NNN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585846	1	32	-1.0	-40.32	263.71	0.28	-40.04
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1C	REAL250004585847	0	34	-1.0	-53.13	275.36	3.62	-49.51
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1C	REAL250004585847	1	34	-1.0	-53.11	275.42	3.64	-49.47
NC(=O)N1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004585848	0	39	-1.0	-53.62	305.21	0.26	-53.36
NC(=O)N1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004585848	1	39	-1.0	-53.60	305.26	0.28	-53.32
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL250004585849	0	34	-1.0	-47.54	283.74	1.34	-46.20
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL250004585849	1	34	-1.0	-47.54	283.80	1.36	-46.18
O=C(C1=CC=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585850	0	30	-1.0	-38.90	266.40	3.67	-35.23
O=C(C1=CC=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585850	1	30	-1.0	-38.91	266.46	3.68	-35.23
O=C(CCC1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004585851	0	33	-1.0	-52.21	281.42	3.59	-48.62
O=C(CCC1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004585851	1	33	-1.0	-52.21	281.48	3.62	-48.59
CC1=CC=CC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN21	REAL250004585852	0	36	-1.0	-57.31	302.64	5.43	-51.88
CC1=CC=CC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN21	REAL250004585852	1	36	-1.0	-57.31	302.58	5.41	-51.90
O=C(C1=CC(Cl)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004585853	0	30	-1.0	-40.94	266.11	3.69	-37.25
O=C(C1=CC(Cl)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004585853	1	30	-1.0	-40.95	266.16	3.67	-37.28
CCCCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585854	0	42	-1.0	-52.74	337.18	6.59	-46.15
CCCCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585854	1	42	-1.0	-52.75	337.24	6.60	-46.15
O=C(C1=CC2=CC=CC=C2OC1)N1CCCC1C1=N[N-]N=N1	REAL250004585855	0	36	-1.0	-52.98	305.69	4.37	-48.61
O=C(C1=CC2=CC=CC=C2OC1)N1CCCC1C1=NN=N[N-]1	REAL250004585855	1	36	-1.0	-52.98	305.75	4.39	-48.59
O=C(C1=CC(Cl)=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004585856	0	28	-1.0	-53.80	253.93	2.44	-51.36
O=C(C1=CC(Cl)=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004585856	1	28	-1.0	-53.78	253.99	2.46	-51.32
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004585857	0	30	-1.0	-55.68	267.60	2.69	-52.99
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004585857	1	30	-1.0	-55.67	267.65	2.71	-52.96
CC1=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004585858	0	36	-1.0	-55.02	305.02	4.21	-50.81
CC1=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004585858	1	36	-1.0	-55.04	305.07	4.23	-50.81
O=C(CCOC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585859	0	37	-1.0	-51.76	309.11	4.30	-47.46
O=C(CCOC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585859	1	37	-1.0	-51.75	309.16	4.32	-47.43
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004585860	0	36	-1.0	-53.20	288.23	4.78	-48.42
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004585860	1	36	-1.0	-53.23	288.29	4.79	-48.44
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004585861	0	36	-1.0	-42.81	289.60	4.44	-38.37
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004585861	1	36	-1.0	-42.80	289.67	4.45	-38.35
O=C(CC1CC2CCC1C2)N1CCCC1C1=N[N-]N=N1	REAL250004585862	0	40	-1.0	-54.09	304.41	5.26	-48.83
O=C(CC1CC2CCC1C2)N1CCCC1C1=NN=N[N-]1	REAL250004585862	1	40	-1.0	-54.10	304.44	5.28	-48.82
N#CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585863	0	37	-1.0	-52.11	321.57	5.86	-46.25
N#CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585863	1	37	-1.0	-52.08	321.63	5.89	-46.19
O=C(CCCC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004585864	0	45	-1.0	-52.23	342.94	6.42	-45.81
O=C(CCCC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004585864	1	45	-1.0	-52.26	343.00	6.45	-45.81
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585865	0	32	-1.0	-57.58	278.90	4.20	-53.38
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585865	1	32	-1.0	-57.57	278.95	4.23	-53.34
CCN1C(C)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004585866	0	40	-1.0	-56.98	315.15	5.07	-51.91
CCN1C(C)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004585866	1	40	-1.0	-57.00	315.21	5.08	-51.92
CC1=CC=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585867	0	39	-1.0	-51.58	322.07	6.14	-45.44
CC1=CC=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585867	1	39	-1.0	-51.62	322.13	6.17	-45.45
CC(C)=CC1C(C(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004585868	0	43	-1.0	-56.41	332.76	6.02	-50.39
CC(C)=CC1C(C(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004585868	1	43	-1.0	-56.39	332.82	6.05	-50.34
COCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004585869	0	34	-1.0	-51.98	291.45	1.92	-50.06
COCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004585869	1	34	-1.0	-52.01	291.51	1.94	-50.07
CN1C=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585870	0	31	-1.0	-50.27	271.29	3.62	-46.65
CN1C=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585870	1	31	-1.0	-50.27	271.35	3.63	-46.64
O=C(C1=CC(F)=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585871	0	30	-1.0	-37.90	258.00	3.21	-34.69
O=C(C1=CC(F)=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585871	1	30	-1.0	-37.94	258.06	3.19	-34.75
CC1=CC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN2C=C1	REAL250004585872	0	36	-1.0	-56.58	303.26	5.56	-51.02
CC1=CC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN2C=C1	REAL250004585872	1	36	-1.0	-56.59	303.32	5.59	-51.00
CC(=O)C1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585873	0	33	-1.0	-64.81	281.28	2.41	-62.40
CC(=O)C1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585873	1	33	-1.0	-64.83	281.34	2.42	-62.41
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004585874	0	33	-1.0	-51.83	274.77	3.32	-48.51
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004585874	1	33	-1.0	-51.81	274.83	3.34	-48.47
O=C(CC1=CC=C2OCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585875	0	38	-1.0	-54.85	315.16	4.52	-50.33
O=C(CC1=CC=C2OCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585875	1	38	-1.0	-54.85	315.22	4.54	-50.31
CC1=NN(C)C(C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585876	0	36	-1.0	-55.89	303.37	2.74	-53.15
CC1=NN(C)C(C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585876	1	36	-1.0	-55.83	303.42	2.76	-53.07
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585877	0	33	-1.0	-49.74	284.41	3.81	-45.93
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585877	1	33	-1.0	-49.75	284.47	3.83	-45.92
CCOC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585878	0	34	-1.0	-49.17	290.62	-0.32	-49.49
CCOC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585878	1	34	-1.0	-49.17	290.68	-0.30	-49.47
O=C(C1=CSC2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004585879	0	33	-1.0	-55.60	287.41	4.97	-50.63
O=C(C1=CSC2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004585879	1	33	-1.0	-55.64	287.35	4.95	-50.69
N#CC1=CC=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585880	0	35	-1.0	-63.23	307.05	5.37	-57.86
N#CC1=CC=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585880	1	35	-1.0	-63.24	307.10	5.40	-57.84
CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL250004585881	0	42	-1.0	-51.34	338.81	6.66	-44.68
CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL250004585881	1	42	-1.0	-51.32	338.87	6.69	-44.63
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004585882	0	33	-1.0	-51.91	279.28	3.64	-48.27
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004585882	1	33	-1.0	-51.94	279.33	3.67	-48.27
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004585883	0	35	-1.0	-53.04	290.80	3.98	-49.06
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004585883	1	35	-1.0	-53.06	290.74	3.97	-49.09
O=C(C1=CC=C(Cl)O1)N1CCCC1C1=N[N-]N=N1	REAL250004585884	0	27	-1.0	-47.66	252.92	2.65	-45.01
O=C(C1=CC=C(Cl)O1)N1CCCC1C1=NN=N[N-]1	REAL250004585884	1	27	-1.0	-47.67	252.98	2.67	-45.00
CCOC1=NC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585885	0	36	-1.0	-58.32	299.29	2.23	-56.09
CCOC1=NC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585885	1	36	-1.0	-58.35	299.22	2.22	-56.13
COC1=CC=C(F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585886	0	34	-1.0	-45.67	278.86	3.70	-41.97
COC1=CC=C(F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585886	1	34	-1.0	-45.67	278.93	3.71	-41.96
CCOC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585887	0	37	-1.0	-58.10	312.72	0.34	-57.76
CCOC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585887	1	37	-1.0	-58.10	312.78	0.36	-57.74
O=C(NC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585888	0	34	-1.0	-46.94	289.25	2.23	-44.71
O=C(NC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585888	1	34	-1.0	-46.94	289.31	2.26	-44.68
O=C(C1CC2CCC1C2)N1CCCC1C1=N[N-]N=N1	REAL250004585889	0	37	-1.0	-54.54	283.00	4.38	-50.16
O=C(C1CC2CCC1C2)N1CCCC1C1=NN=N[N-]1	REAL250004585889	1	37	-1.0	-54.55	283.06	4.41	-50.14
CC1=CC=C(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585890	0	35	-1.0	-47.84	293.84	4.48	-43.36
CC1=CC=C(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585890	1	35	-1.0	-47.81	293.90	4.50	-43.31
CCCC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585891	0	36	-1.0	-49.22	297.06	2.61	-46.61
CCCC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585891	1	36	-1.0	-49.22	297.12	2.62	-46.60
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004585892	0	39	-1.0	-55.27	310.50	5.54	-49.73
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004585892	1	39	-1.0	-55.27	310.55	5.57	-49.70
O=C(CC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585893	0	32	-1.0	-53.40	274.10	2.90	-50.50
O=C(CC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585893	1	32	-1.0	-53.42	274.16	2.92	-50.50
O=C(C1=CC2=C(N1)SC=C2)N1CCCC1C1=NN=N[N-]1	REAL250004585894	0	31	-1.0	-52.31	273.91	3.15	-49.16
O=C(C1=CC2=C(N1)SC=C2)N1CCCC1C1=N[N-]N=N1	REAL250004585894	1	31	-1.0	-52.30	273.85	3.14	-49.16
CC1=CC(C)=NN1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585895	0	39	-1.0	-50.15	324.18	3.73	-46.42
CC1=CC(C)=NN1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585895	1	39	-1.0	-50.13	324.24	3.75	-46.38
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004585896	0	32	-1.0	-54.14	267.07	2.39	-51.75
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004585896	1	32	-1.0	-54.08	267.12	2.41	-51.67
CC(C)(C)C(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585897	0	42	-1.0	-61.52	338.76	2.05	-59.47
CC(C)(C)C(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585897	1	42	-1.0	-61.51	338.82	2.07	-59.44
CC1=CC=NC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=NN21	REAL250004585898	0	34	-1.0	-63.97	293.98	5.14	-58.83
CC1=CC=NC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=NN21	REAL250004585898	1	34	-1.0	-63.98	294.04	5.17	-58.81
CC(=O)C1=CN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585899	0	36	-1.0	-56.51	297.05	3.49	-53.02
CC(=O)C1=CN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585899	1	36	-1.0	-56.51	297.10	3.51	-53.00
O=C(C1=NOC(C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585900	0	33	-1.0	-50.48	283.96	3.86	-46.62
O=C(C1=NOC(C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585900	1	33	-1.0	-50.45	284.02	3.89	-46.56
CC1=NOC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004585901	0	34	-1.0	-50.54	292.21	1.07	-49.47
CC1=NOC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004585901	1	34	-1.0	-50.53	292.27	1.09	-49.44
CC1=C(C)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585902	0	33	-1.0	-53.27	283.07	3.98	-49.29
CC1=C(C)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585902	1	33	-1.0	-53.27	283.13	3.99	-49.28
O=C(C1=C2NN=CC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585903	0	33	-1.0	-54.29	272.00	1.87	-52.42
O=C(C1=C2NN=CC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585903	1	33	-1.0	-54.30	271.93	1.87	-52.43
O=C(C1=CC=CC2=CNN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585903	1	33	-1.0	-54.29	272.00	1.87	-52.42
O=C(C1=CC=CC2=CNN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585903	1	33	-1.0	-54.30	271.93	1.87	-52.43
CC1=NOC2=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL250004585904	0	34	-1.0	-49.52	289.70	1.02	-48.50
CC1=NOC2=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL250004585904	1	34	-1.0	-49.53	289.76	1.04	-48.49
O=C(C1=CC=NC2=NC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004585905	0	31	-1.0	-53.62	276.55	4.74	-48.88
O=C(C1=CC=NC2=NC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004585905	1	31	-1.0	-53.61	276.50	4.73	-48.88
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL250004585906	0	33	-1.0	-52.78	272.78	1.86	-50.92
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL250004585906	1	33	-1.0	-52.83	272.83	1.88	-50.95
O=C(C1CC1(Cl)Cl)N1CCCC1C1=N[N-]N=N1	REAL250004585907	0	27	-1.0	-50.62	261.86	3.43	-47.19
O=C(C1CC1(Cl)Cl)N1CCCC1C1=NN=N[N-]1	REAL250004585907	1	27	-1.0	-50.65	261.92	3.46	-47.19
CC(NC(=O)C(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585908	0	42	-1.0	-49.06	335.35	2.01	-47.05
CC(NC(=O)C(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585908	1	42	-1.0	-49.05	335.40	2.03	-47.02
CC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004585909	0	32	-1.0	-52.47	275.46	2.00	-50.47
CC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004585909	1	32	-1.0	-52.48	275.52	2.02	-50.46
CC1=NN(C)C(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585910	0	39	-1.0	-58.59	321.16	3.47	-55.12
CC1=NN(C)C(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585910	1	39	-1.0	-58.64	321.22	3.49	-55.15
O=C(CCN1C=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585911	0	32	-1.0	-49.04	276.43	4.10	-44.94
O=C(CCN1C=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585911	1	32	-1.0	-49.00	276.38	4.08	-44.92
O=C(CNC(=O)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004585912	0	34	-1.0	-48.93	288.70	0.92	-48.01
O=C(CNC(=O)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004585912	1	34	-1.0	-48.94	288.76	0.95	-47.99
O=C(C1CCCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004585913	0	40	-1.0	-57.77	316.14	6.05	-51.72
O=C(C1CCCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004585913	1	40	-1.0	-57.81	316.19	6.06	-51.75
COC1=NC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585914	0	33	-1.0	-57.97	277.46	1.30	-56.67
COC1=NC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585914	1	33	-1.0	-57.93	277.40	1.29	-56.64
CCCCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585915	0	36	-1.0	-53.70	306.84	4.60	-49.10
CCCCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585915	1	36	-1.0	-53.69	306.90	4.62	-49.07
CCCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585916	0	44	-1.0	-51.96	348.30	6.35	-45.61
CCCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585916	1	44	-1.0	-51.99	348.36	6.37	-45.62
CCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585917	0	41	-1.0	-51.93	326.81	5.57	-46.36
CCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585917	1	41	-1.0	-51.90	326.86	5.59	-46.31
CCCCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585918	0	47	-1.0	-51.91	369.80	7.13	-44.78
CCCCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585918	1	47	-1.0	-51.92	369.86	7.15	-44.77
CCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585919	0	38	-1.0	-51.97	305.31	4.79	-47.18
CCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585919	1	38	-1.0	-51.95	305.36	4.81	-47.14
O=C(CCN1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585920	0	33	-1.0	-49.13	281.68	2.68	-46.45
O=C(CCN1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585920	1	33	-1.0	-49.13	281.62	2.65	-46.48
O=C(C1=CC=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585921	0	30	-1.0	-45.05	244.92	-0.00	-45.05
O=C(C1=CC=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585921	1	30	-1.0	-45.00	244.98	-0.00	-45.00
CC(=O)NCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585922	0	42	-1.0	-56.79	344.62	2.35	-54.44
CC(=O)NCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585922	1	42	-1.0	-56.85	344.68	2.38	-54.47
O=C(C1CC(=O)N(C2CC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004585923	0	38	-1.0	-49.58	303.78	2.99	-46.59
O=C(C1CC(=O)N(C2CC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004585923	1	38	-1.0	-49.62	303.84	3.01	-46.61
CC(C)SCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585924	0	33	-1.0	-53.81	282.12	3.65	-50.16
CC(C)SCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585924	1	33	-1.0	-53.83	282.17	3.67	-50.16
O=C(C1=C2N=CC=CN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585925	0	32	-1.0	-65.69	274.11	2.54	-63.15
O=C(C1=C2N=CC=CN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585925	1	32	-1.0	-65.69	274.05	2.53	-63.16
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004585926	0	32	-1.0	-54.46	270.10	3.32	-51.14
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004585926	1	32	-1.0	-54.41	270.16	3.34	-51.07
O=C(C1=C2C=NNC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585927	0	33	-1.0	-55.82	276.82	2.17	-53.65
O=C(C1=C2C=NNC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585927	1	33	-1.0	-55.84	276.76	2.15	-53.69
CC1=CC=C2NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=C1	REAL250004585928	0	37	-1.0	-52.71	305.45	4.76	-47.95
CC1=CC=C2NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=C1	REAL250004585928	1	37	-1.0	-52.69	305.39	4.75	-47.94
O=C(C1=CC=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004585929	0	31	-1.0	-41.36	254.03	1.63	-39.73
O=C(C1=CC=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004585929	1	31	-1.0	-41.33	253.96	1.63	-39.70
O=C(CCNC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585931	0	38	-1.0	-53.36	314.34	3.58	-49.78
O=C(CCNC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585931	1	38	-1.0	-53.34	314.40	3.60	-49.74
O=C(C1=CC2=CNN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585932	0	33	-1.0	-56.00	277.47	2.31	-53.69
O=C(C1=CC2=CNN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585932	1	33	-1.0	-56.02	277.41	2.29	-53.73
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1O	REAL250004585933	0	34	-1.0	-40.52	272.58	2.35	-38.17
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1O	REAL250004585933	1	34	-1.0	-40.54	272.52	2.33	-38.21
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1O	REAL250004585934	0	35	-1.0	-59.34	290.47	1.65	-57.69
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1O	REAL250004585934	1	35	-1.0	-59.33	290.53	1.67	-57.66
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL250004585935	0	35	-1.0	-41.18	283.34	0.93	-40.25
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL250004585935	1	35	-1.0	-41.18	283.40	0.93	-40.25
O=C(CC1=CN2C=CC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585938	0	36	-1.0	-63.61	305.37	5.28	-58.33
O=C(CC1=CN2C=CC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585938	1	36	-1.0	-63.59	305.42	5.30	-58.29
O=C(C1=CC(C2CC2)=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004585939	0	34	-1.0	-50.33	283.44	2.57	-47.76
O=C(C1=CC(C2CC2)=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004585939	1	34	-1.0	-50.34	283.50	2.58	-47.76
CC1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585940	0	34	-1.0	-41.39	272.20	2.38	-39.01
CC1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585940	1	34	-1.0	-41.38	272.15	2.38	-39.00
COC1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585941	0	35	-1.0	-44.25	283.44	0.90	-43.35
COC1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585941	1	35	-1.0	-44.23	283.50	0.91	-43.32
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1O	REAL250004585942	0	34	-1.0	-54.02	282.42	1.48	-52.54
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1O	REAL250004585942	1	34	-1.0	-53.99	282.47	1.50	-52.49
O=C(CCOCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004585943	0	33	-1.0	-48.87	294.33	2.19	-46.68
O=C(CCOCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004585943	1	33	-1.0	-48.91	294.38	2.21	-46.70
CN1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL250004585944	0	37	-1.0	-54.39	293.15	1.97	-52.42
CN1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL250004585944	1	37	-1.0	-54.40	293.21	1.99	-52.41
C=CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585945	0	38	-1.0	-52.38	315.45	4.41	-47.97
C=CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585945	1	38	-1.0	-52.42	315.51	4.42	-48.00
CN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004585946	0	33	-1.0	-62.19	284.81	2.71	-59.48
CN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004585946	1	33	-1.0	-62.21	284.86	2.73	-59.48
NC(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585947	0	34	-1.0	-45.28	278.62	-0.18	-45.46
NC(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585947	1	34	-1.0	-45.29	278.68	-0.19	-45.48
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004585948	0	34	-1.0	-52.56	294.34	2.17	-50.39
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004585948	1	34	-1.0	-52.60	294.39	2.18	-50.42
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585949	0	32	-1.0	-61.30	289.70	2.81	-58.49
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585949	1	32	-1.0	-61.29	289.64	2.78	-58.51
CCN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL250004585950	0	37	-1.0	-54.14	302.14	2.45	-51.69
CCN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL250004585950	1	37	-1.0	-54.16	302.20	2.48	-51.68
O=C(C1=NNC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004585951	0	37	-1.0	-56.66	295.80	3.02	-53.64
O=C(C1=NNC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004585951	1	37	-1.0	-56.65	295.86	3.05	-53.60
N#CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585952	0	28	-1.0	-59.50	263.19	2.76	-56.74
N#CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585952	1	28	-1.0	-59.43	263.25	2.79	-56.64
CS(=O)(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585953	0	32	-1.0	-55.86	282.89	-0.77	-56.63
CS(=O)(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585953	1	32	-1.0	-55.83	282.95	-0.74	-56.57
CN1N=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585954	0	34	-1.0	-53.23	290.68	2.77	-50.46
CN1N=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585954	1	34	-1.0	-53.22	290.73	2.80	-50.42
O=C(C1=CC=C2OCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585955	0	35	-1.0	-43.30	281.06	2.93	-40.37
O=C(C1=CC=C2OCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585955	1	35	-1.0	-43.28	281.12	2.92	-40.36
CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)NC1=O	REAL250004585956	0	33	-1.0	-43.89	269.46	-0.81	-44.70
CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)NC1=O	REAL250004585956	1	33	-1.0	-43.92	269.53	-0.82	-44.74
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004585957	0	33	-1.0	-57.03	277.86	2.32	-54.71
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004585957	1	33	-1.0	-56.98	277.80	2.31	-54.67
O=C(CSC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004585958	0	27	-1.0	-49.23	262.11	2.73	-46.50
O=C(CSC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004585958	1	27	-1.0	-49.23	262.16	2.76	-46.47
CN(CC(=O)N1CCCC1C1=N[N-]N=N1)S(C)(=O)=O	REAL250004585959	0	34	-1.0	-49.49	293.62	-0.84	-50.33
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)S(C)(=O)=O	REAL250004585959	1	34	-1.0	-49.49	293.67	-0.81	-50.30
O=C(CCN1C=CC=CC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585960	0	36	-1.0	-55.76	304.44	3.74	-52.02
O=C(CCN1C=CC=CC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585960	1	36	-1.0	-55.81	304.50	3.77	-52.04
CC(C)OCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585961	0	36	-1.0	-49.99	295.03	2.47	-47.52
CC(C)OCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585961	1	36	-1.0	-49.95	295.08	2.48	-47.47
O=C(CN1C=CC=NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585962	0	32	-1.0	-61.25	278.35	1.10	-60.15
O=C(CN1C=CC=NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585962	1	32	-1.0	-61.26	278.41	1.12	-60.14
CCC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585963	0	33	-1.0	-50.05	274.99	1.80	-48.25
CCC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585963	1	33	-1.0	-50.02	275.05	1.82	-48.20
O=C(C1COCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004585964	0	32	-1.0	-54.11	260.33	0.91	-53.20
O=C(C1COCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004585964	1	32	-1.0	-54.06	260.39	0.93	-53.13
CCCCCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585965	0	42	-1.0	-55.43	339.88	5.17	-50.26
CCCCCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585965	1	42	-1.0	-55.43	339.94	5.20	-50.23
O=C(CCCNC(=O)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004585966	0	40	-1.0	-53.88	332.36	2.39	-51.49
O=C(CCCNC(=O)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004585966	1	40	-1.0	-53.87	332.42	2.41	-51.46
O=C(CCC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004585967	0	37	-1.0	-53.24	297.23	2.80	-50.44
O=C(CCC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004585967	1	37	-1.0	-53.28	297.28	2.83	-50.45
CN(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004585968	0	37	-1.0	-55.20	299.01	3.36	-51.84
CN(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004585968	1	37	-1.0	-55.24	299.07	3.39	-51.85
COCCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585969	0	34	-1.0	-52.86	297.51	2.09	-50.77
COCCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585969	1	34	-1.0	-52.87	297.57	2.12	-50.75
O=C(CN1CCCCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585970	0	37	-1.0	-64.47	299.54	2.92	-61.55
O=C(CN1CCCCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585970	1	37	-1.0	-64.47	299.60	2.95	-61.52
O=C(CN1CCCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004585971	0	36	-1.0	-65.93	294.84	0.83	-65.10
O=C(CN1CCCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004585971	1	36	-1.0	-65.91	294.90	0.85	-65.06
CC(=O)N(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585972	0	33	-1.0	-55.07	277.12	1.73	-53.34
CC(=O)N(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585972	1	33	-1.0	-55.07	277.17	1.76	-53.31
CN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL250004585973	0	34	-1.0	-50.04	277.12	1.39	-48.65
CN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL250004585973	1	34	-1.0	-50.03	277.18	1.42	-48.61
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C#N	REAL250004585974	0	33	-1.0	-49.45	288.67	3.56	-45.89
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C#N	REAL250004585974	1	33	-1.0	-49.50	288.73	3.59	-45.91
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585975	0	34	-1.0	-53.56	286.45	0.35	-53.21
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585975	1	34	-1.0	-53.55	286.49	0.38	-53.17
O=C(C1=CSN=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585976	0	25	-1.0	-49.07	233.56	0.59	-48.48
O=C(C1=CSN=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585976	1	25	-1.0	-49.06	233.50	0.58	-48.48
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004585977	0	33	-1.0	-39.25	271.36	-0.19	-39.44
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004585977	1	33	-1.0	-39.26	271.29	-0.21	-39.47
CC(=O)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585978	0	38	-1.0	-58.14	319.75	5.06	-53.08
CC(=O)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585978	1	38	-1.0	-58.12	319.81	5.08	-53.04
CCCCC(CC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585979	0	41	-1.0	-52.16	313.32	4.87	-47.29
CCCCC(CC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585979	1	41	-1.0	-52.18	313.38	4.89	-47.29
COC(=O)N(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585980	0	34	-1.0	-54.69	289.77	1.65	-53.04
COC(=O)N(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585980	1	34	-1.0	-54.73	289.83	1.68	-53.05
CC1=NOC(CCCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004585981	0	37	-1.0	-58.73	313.74	1.85	-56.88
CC1=NOC(CCCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004585981	1	37	-1.0	-58.71	313.79	1.88	-56.83
CCC(=O)NC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585982	0	36	-1.0	-49.02	296.77	0.78	-48.24
CCC(=O)NC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585982	1	36	-1.0	-49.03	296.83	0.80	-48.23
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004585983	0	35	-1.0	-53.04	294.02	4.07	-48.97
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004585983	1	35	-1.0	-53.01	294.08	4.09	-48.92
O=C(C1=CC=CC=[N+]1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004585984	0	30	-1.0	-83.25	254.25	3.72	-79.53
O=C(C1=CC=CC=[N+]1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004585984	1	30	-1.0	-83.27	254.31	3.75	-79.52
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL250004585985	0	29	-1.0	-52.19	253.52	1.28	-50.91
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL250004585985	1	29	-1.0	-52.24	253.58	1.31	-50.93
O=C(CCCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585986	0	39	-1.0	-53.98	322.15	6.26	-47.72
O=C(CCCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585986	1	39	-1.0	-53.97	322.21	6.28	-47.69
O=C(C1=C2C=CNC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585987	0	34	-1.0	-60.25	282.26	3.59	-56.66
O=C(C1=C2C=CNC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585987	1	34	-1.0	-60.27	282.20	3.58	-56.69
CCOCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585988	0	36	-1.0	-54.82	296.34	2.48	-52.34
CCOCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585988	1	36	-1.0	-54.82	296.40	2.51	-52.31
O=C(CCOCC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004585989	0	41	-1.0	-51.75	331.86	2.19	-49.56
O=C(CCOCC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004585989	1	41	-1.0	-51.76	331.91	2.22	-49.54
O=C(COCC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004585990	0	34	-1.0	-56.02	285.56	3.61	-52.41
O=C(COCC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004585990	1	34	-1.0	-56.06	285.62	3.64	-52.42
O=C(CC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004585991	0	34	-1.0	-56.40	275.33	2.71	-53.69
O=C(CC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004585991	1	34	-1.0	-56.38	275.39	2.73	-53.65
CC(C(=O)N1CCCC1C1=N[N-]N=N1)S(C)(=O)=O	REAL250004585992	0	32	-1.0	-70.20	275.38	-0.61	-70.81
CC(C(=O)N1CCCC1C1=NN=N[N-]1)S(C)(=O)=O	REAL250004585992	1	32	-1.0	-70.21	275.43	-0.59	-70.80
O=C(C1=CC=C2C=CNC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585993	0	34	-1.0	-56.38	282.15	3.57	-52.81
O=C(C1=CC=C2C=CNC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585993	1	34	-1.0	-56.37	282.09	3.55	-52.82
CC1=CC(NC(=O)C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004585994	0	33	-1.0	-47.45	285.34	1.43	-46.02
CC1=CC(NC(=O)C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004585994	1	33	-1.0	-47.42	285.40	1.46	-45.96
O=C(CC1=NN2C=CC=NC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004585995	0	34	-1.0	-68.48	296.48	4.58	-63.90
O=C(CC1=NN2C=CC=NC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004585995	1	34	-1.0	-68.51	296.53	4.61	-63.90
NC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004585996	0	32	-1.0	-66.40	273.93	-1.82	-68.22
NC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004585996	1	32	-1.0	-66.40	273.99	-1.80	-68.20
CC(C)CC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585997	0	39	-1.0	-49.90	315.66	3.10	-46.80
CC(C)CC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585997	1	39	-1.0	-49.86	315.71	3.12	-46.74
CC(C)C1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004585998	0	36	-1.0	-50.03	293.84	2.34	-47.69
CC(C)C1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004585998	1	36	-1.0	-50.05	293.89	2.36	-47.69
CCOC(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004585999	0	32	-1.0	-59.66	273.07	3.57	-56.09
CCOC(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004585999	1	32	-1.0	-59.67	273.12	3.60	-56.07
O=C(CCC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586000	0	35	-1.0	-51.30	295.54	3.71	-47.59
O=C(CCC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586000	1	35	-1.0	-51.32	295.59	3.74	-47.58
CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC1=O	REAL250004586001	0	33	-1.0	-49.01	284.59	2.68	-46.33
CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC1=O	REAL250004586001	1	33	-1.0	-49.01	284.64	2.69	-46.32
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586002	0	37	-1.0	-58.65	301.37	4.35	-54.30
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586002	1	37	-1.0	-58.65	301.43	4.37	-54.28
N#CCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586003	0	34	-1.0	-58.49	292.94	4.71	-53.78
N#CCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586003	1	34	-1.0	-58.47	293.00	4.73	-53.74
O=C(C1CCC(=O)NC1)N1CCCC1C1=N[N-]N=N1	REAL250004586004	0	34	-1.0	-52.68	277.66	0.10	-52.58
O=C(C1CCC(=O)NC1)N1CCCC1C1=NN=N[N-]1	REAL250004586004	1	34	-1.0	-52.66	277.72	0.11	-52.55
CC(C)(C)C1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586005	0	39	-1.0	-50.20	313.82	2.94	-47.26
CC(C)(C)C1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586005	1	39	-1.0	-50.21	313.88	2.96	-47.25
O=C(C1=NNC2=C1CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586006	0	34	-1.0	-57.00	280.03	2.50	-54.50
O=C(C1=NNC2=C1CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586006	1	34	-1.0	-57.04	280.08	2.53	-54.51
CC(F)(F)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586007	0	32	-1.0	-48.84	273.37	3.36	-45.48
CC(F)(F)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586007	1	32	-1.0	-48.86	273.43	3.39	-45.47
CC1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=NC2=NN1	REAL250004586008	0	35	-1.0	-56.58	294.77	2.00	-54.58
CC1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=NC2=NN1	REAL250004586008	1	35	-1.0	-56.61	294.83	2.03	-54.58
O=C(COC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586009	0	37	-1.0	-56.08	298.74	4.09	-51.99
O=C(COC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586009	1	37	-1.0	-56.07	298.80	4.11	-51.96
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586010	0	32	-1.0	-63.42	289.97	3.76	-59.66
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586010	1	32	-1.0	-63.42	289.92	3.74	-59.68
O=C(COC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586011	0	40	-1.0	-55.88	315.70	4.69	-51.19
O=C(COC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586011	1	40	-1.0	-55.90	315.76	4.72	-51.18
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586012	0	29	-1.0	-49.10	270.80	3.32	-45.78
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586012	1	29	-1.0	-49.10	270.85	3.34	-45.76
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1	REAL250004586013	0	33	-1.0	-49.88	285.37	4.61	-45.27
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1	REAL250004586013	1	33	-1.0	-49.87	285.43	4.64	-45.23
CC1=NC=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586014	0	31	-1.0	-48.07	259.92	2.14	-45.93
CC1=NC=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586014	1	31	-1.0	-48.06	259.98	2.16	-45.90
C=CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586015	0	31	-1.0	-53.75	276.65	3.58	-50.17
C=CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586015	1	31	-1.0	-53.75	276.71	3.60	-50.15
CCOC1CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586016	0	34	-1.0	-49.62	284.41	2.31	-47.31
CCOC1CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586016	1	34	-1.0	-49.63	284.46	2.34	-47.29
CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586017	0	36	-1.0	-51.51	299.52	1.21	-50.30
CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586017	1	36	-1.0	-51.50	299.46	1.19	-50.31
CC1=NC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586018	0	31	-1.0	-50.20	265.40	2.46	-47.74
CC1=NC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586018	1	31	-1.0	-50.20	265.46	2.49	-47.71
O=C(C1=CC=CC2=C1OCO2)N1CCCC1C1=N[N-]N=N1	REAL250004586019	0	33	-1.0	-42.32	268.93	2.32	-40.00
O=C(C1=CC=CC2=C1OCO2)N1CCCC1C1=NN=N[N-]1	REAL250004586019	1	33	-1.0	-42.37	268.98	2.34	-40.03
O=C(C1=C(Cl)N=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586020	0	26	-1.0	-54.80	250.61	1.11	-53.69
O=C(C1=C(Cl)N=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586020	1	26	-1.0	-54.79	250.54	1.10	-53.69
N#CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586021	0	35	-1.0	-59.76	309.03	4.98	-54.78
N#CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586021	1	35	-1.0	-59.79	309.09	5.00	-54.79
CCSCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586022	0	33	-1.0	-49.54	285.46	3.81	-45.73
CCSCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586022	1	33	-1.0	-49.51	285.52	3.84	-45.67
COC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586023	0	31	-1.0	-49.18	268.76	-1.25	-50.43
COC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586023	1	31	-1.0	-49.21	268.81	-1.22	-50.43
O=C(C1=NOC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586024	0	36	-1.0	-53.04	292.17	4.16	-48.88
O=C(C1=NOC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586024	1	36	-1.0	-53.00	292.23	4.19	-48.81
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCC1C1=N[N-]N=N1	REAL250004586025	0	30	-1.0	-46.29	267.85	3.58	-42.71
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCC1C1=NN=N[N-]1	REAL250004586025	1	30	-1.0	-46.27	267.90	3.60	-42.67
O=C(C1=NSN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586026	0	25	-1.0	-47.83	232.54	0.23	-47.60
O=C(C1=NSN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586026	1	25	-1.0	-47.81	232.48	0.20	-47.61
O=C(C1=CN=NS1)N1CCCC1C1=NN=N[N-]1	REAL250004586027	0	25	-1.0	-48.22	231.98	0.20	-48.02
O=C(C1=CN=NS1)N1CCCC1C1=N[N-]N=N1	REAL250004586027	1	25	-1.0	-48.23	231.92	0.17	-48.06
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586028	0	35	-1.0	-56.01	295.68	3.49	-52.52
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586028	1	35	-1.0	-56.04	295.74	3.51	-52.53
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1	REAL250004586029	0	33	-1.0	-65.85	284.82	1.34	-64.51
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1	REAL250004586029	1	33	-1.0	-65.79	284.88	1.35	-64.44
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004586030	0	44	-1.0	-51.63	327.35	5.28	-46.35
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004586030	1	44	-1.0	-51.63	327.41	5.31	-46.32
CCCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586031	0	33	-1.0	-53.71	285.34	3.82	-49.89
CCCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586031	1	33	-1.0	-53.74	285.40	3.84	-49.90
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL250004586032	0	33	-1.0	-50.21	294.87	2.86	-47.35
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL250004586032	1	33	-1.0	-50.18	294.82	2.84	-47.34
O=C(C1=CN=C2NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004586033	0	33	-1.0	-69.78	286.36	3.29	-66.49
O=C(C1=CN=C2NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004586033	1	33	-1.0	-69.80	286.30	3.28	-66.52
O=C(C1=CN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586034	0	26	-1.0	-53.13	236.60	0.67	-52.46
O=C(C1=CN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586034	1	26	-1.0	-53.09	236.55	0.65	-52.44
O=C(C=C(C1CC1)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004586035	0	38	-1.0	-51.84	303.92	5.69	-46.15
O=C(C=C(C1CC1)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004586035	1	38	-1.0	-51.83	303.98	5.72	-46.11
O=C(CCN1C=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586036	0	33	-1.0	-49.69	298.79	3.18	-46.51
O=C(CCN1C=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586036	1	33	-1.0	-49.72	298.73	3.16	-46.56
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586037	0	37	-1.0	-51.12	308.29	5.93	-45.19
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586037	1	37	-1.0	-51.08	308.34	5.96	-45.12
O=C(C1=CN=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586038	0	35	-1.0	-56.17	291.25	4.10	-52.07
O=C(C1=CN=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586038	1	35	-1.0	-56.18	291.19	4.08	-52.10
CC1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586039	0	33	-1.0	-57.73	281.40	2.76	-54.97
CC1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586039	1	33	-1.0	-57.71	281.34	2.74	-54.97
CC(C)S(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586040	0	35	-1.0	-70.26	299.36	0.18	-70.08
CC(C)S(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586040	1	35	-1.0	-70.33	299.42	0.21	-70.12
CC1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586041	0	33	-1.0	-51.09	271.18	1.98	-49.11
CC1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586041	1	33	-1.0	-51.12	271.24	1.99	-49.13
CCOC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586042	0	37	-1.0	-56.97	302.04	3.77	-53.20
CCOC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586042	1	37	-1.0	-56.96	302.10	3.80	-53.16
CN1C=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586043	0	36	-1.0	-54.78	303.54	3.29	-51.49
CN1C=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586043	1	36	-1.0	-54.79	303.48	3.26	-51.53
O=C(CC1=CC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004586044	0	36	-1.0	-57.12	307.13	5.20	-51.92
O=C(CC1=CC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004586044	1	36	-1.0	-57.12	307.19	5.22	-51.90
O=C(CSC1=NN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586045	0	29	-1.0	-51.29	280.99	1.48	-49.81
O=C(CSC1=NN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586045	1	29	-1.0	-51.35	280.93	1.45	-49.90
CC(C)(C)CC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586046	0	42	-1.0	-47.67	331.42	2.03	-45.64
CC(C)(C)CC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586046	1	42	-1.0	-47.69	331.48	2.06	-45.63
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586047	0	38	-1.0	-51.76	311.87	3.06	-48.70
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586047	1	38	-1.0	-51.74	311.93	3.07	-48.67
CCCCSC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586048	0	39	-1.0	-53.70	322.70	5.06	-48.64
CCCCSC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586048	1	39	-1.0	-53.70	322.75	5.08	-48.62
CC(=O)NCC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586049	0	37	-1.0	-52.06	316.91	-2.17	-54.23
CC(=O)NCC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586049	1	37	-1.0	-52.08	316.96	-2.15	-54.23
O=C(CN1C=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586050	0	37	-1.0	-55.36	312.41	6.11	-49.25
O=C(CN1C=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586050	1	37	-1.0	-55.36	312.46	6.13	-49.23
CC1=CC=C2OC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=C1	REAL250004586051	0	36	-1.0	-51.89	304.19	5.10	-46.79
CC1=CC=C2OC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=C1	REAL250004586051	1	36	-1.0	-51.85	304.25	5.13	-46.72
CC1=CN(CCC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586052	0	36	-1.0	-49.11	303.56	3.35	-45.76
CC1=CN(CCC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586052	1	36	-1.0	-49.08	303.50	3.32	-45.76
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004586053	0	37	-1.0	-53.15	300.72	5.18	-47.97
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004586053	1	37	-1.0	-53.13	300.67	5.17	-47.96
CCOCCOC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586054	0	40	-1.0	-59.64	324.58	2.70	-56.94
CCOCCOC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586054	1	40	-1.0	-59.61	324.64	2.72	-56.89
CC(C)COC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586055	0	39	-1.0	-56.43	310.68	3.95	-52.48
CC(C)COC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586055	1	39	-1.0	-56.39	310.74	3.98	-52.41
O=C(CCC1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586056	0	32	-1.0	-53.27	285.43	2.59	-50.68
O=C(CCC1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586056	1	32	-1.0	-53.24	285.48	2.61	-50.63
CC(C)CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586057	0	39	-1.0	-53.51	324.40	5.11	-48.40
CC(C)CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586057	1	39	-1.0	-53.51	324.46	5.14	-48.37
O=C(CN1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586058	0	39	-1.0	-54.48	317.02	4.08	-50.40
O=C(CN1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586058	1	39	-1.0	-54.49	317.08	4.11	-50.38
O=C(C1=NC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586059	0	35	-1.0	-56.55	289.63	5.00	-51.55
O=C(C1=NC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586059	1	35	-1.0	-56.51	289.57	4.97	-51.54
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586060	0	35	-1.0	-55.53	291.99	3.95	-51.58
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586060	1	35	-1.0	-55.53	291.93	3.92	-51.61
CC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586061	0	29	-1.0	-53.34	258.52	1.37	-51.97
CC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586061	1	29	-1.0	-53.37	258.58	1.40	-51.97
CCOC(CC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586062	0	36	-1.0	-54.80	288.79	3.27	-51.53
CCOC(CC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586062	1	36	-1.0	-54.77	288.85	3.28	-51.49
CN(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586063	0	38	-1.0	-55.86	309.87	4.86	-51.00
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586063	1	38	-1.0	-55.90	309.93	4.89	-51.01
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586064	0	33	-1.0	-52.11	291.36	4.58	-47.53
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586064	1	33	-1.0	-52.12	291.42	4.60	-47.52
O=C(C=C1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586065	0	37	-1.0	-51.60	289.08	4.77	-46.83
O=C(C=C1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586065	1	37	-1.0	-51.59	289.14	4.80	-46.79
CCCS(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586066	0	35	-1.0	-70.39	303.72	0.39	-70.00
CCCS(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586066	1	35	-1.0	-70.40	303.78	0.42	-69.98
NC(=O)C1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586067	0	31	-1.0	-64.47	277.33	-0.76	-65.23
NC(=O)C1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586067	1	31	-1.0	-64.46	277.39	-0.73	-65.19
CS(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586069	0	29	-1.0	-71.09	260.76	-1.30	-72.39
CS(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586069	1	29	-1.0	-71.05	260.81	-1.27	-72.32
CCS(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586070	0	32	-1.0	-70.85	282.22	-0.40	-71.25
CCS(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586070	1	32	-1.0	-70.81	282.28	-0.38	-71.19
O=C(CCN1CCOC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586071	0	35	-1.0	-62.64	295.58	1.81	-60.83
O=C(CCN1CCOC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586071	1	35	-1.0	-62.63	295.64	1.84	-60.79
O=C(C1=CC=CC2=C1CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586072	0	37	-1.0	-54.00	296.01	5.49	-48.51
O=C(C1=CC=CC2=C1CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586072	1	37	-1.0	-54.00	296.09	5.50	-48.50
CCC1=NC(CC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586073	0	35	-1.0	-55.97	306.18	3.30	-52.67
CCC1=NC(CC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586073	1	35	-1.0	-55.96	306.24	3.32	-52.64
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL250004586074	0	33	-1.0	-52.67	279.59	3.90	-48.77
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL250004586074	1	33	-1.0	-52.70	279.64	3.92	-48.78
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004586075	0	33	-1.0	-39.22	282.64	2.49	-36.73
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004586075	1	33	-1.0	-39.26	282.57	2.47	-36.79
CC(OCC1CC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586076	0	37	-1.0	-57.05	300.24	4.02	-53.03
CC(OCC1CC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586076	1	37	-1.0	-57.06	300.30	4.04	-53.02
CC1CCCCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586077	0	42	-1.0	-52.42	316.06	5.42	-47.00
CC1CCCCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586077	1	42	-1.0	-52.41	316.12	5.44	-46.97
COCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586078	0	33	-1.0	-54.55	294.26	1.19	-53.36
COCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586078	1	33	-1.0	-54.53	294.32	1.22	-53.31
O=C(CC(C1CC1)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004586079	0	40	-1.0	-51.58	318.74	5.99	-45.59
O=C(CC(C1CC1)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004586079	1	40	-1.0	-51.55	318.80	6.01	-45.54
CCC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586080	0	32	-1.0	-52.88	280.01	2.12	-50.76
CCC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586080	1	32	-1.0	-52.89	280.07	2.15	-50.74
O=C(CCCN1C=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586081	0	36	-1.0	-58.62	302.64	5.05	-53.57
O=C(CCCN1C=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586081	1	36	-1.0	-58.58	302.69	5.08	-53.50
C=CCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586082	0	34	-1.0	-55.15	288.20	3.39	-51.76
C=CCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586082	1	34	-1.0	-55.15	288.26	3.42	-51.73
O=C(CCC1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586083	0	32	-1.0	-51.32	284.94	2.50	-48.82
O=C(CCC1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586083	1	32	-1.0	-51.31	285.00	2.52	-48.79
N#CC1=CC=C(NCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586085	0	36	-1.0	-51.20	312.90	3.35	-47.85
N#CC1=CC=C(NCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586085	1	36	-1.0	-51.18	312.96	3.38	-47.80
O=C(C1=CC=NC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586086	0	29	-1.0	-51.87	252.09	1.75	-50.12
O=C(C1=CC=NC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586086	1	29	-1.0	-51.88	252.04	1.73	-50.15
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586087	0	33	-1.0	-55.81	283.24	-0.48	-56.29
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586087	1	33	-1.0	-55.79	283.18	-0.50	-56.29
O=C(CCCN1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586088	0	36	-1.0	-59.64	303.21	3.46	-56.18
O=C(CCCN1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586088	1	36	-1.0	-59.65	303.16	3.44	-56.21
O=C(CC1=C2C=CC=CC2=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004586089	0	36	-1.0	-57.59	306.13	3.23	-54.36
O=C(CC1=C2C=CC=CC2=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004586089	1	36	-1.0	-57.58	306.19	3.25	-54.33
COCCOCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586090	0	37	-1.0	-51.14	308.41	0.99	-50.15
COCCOCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586090	1	37	-1.0	-51.12	308.47	1.01	-50.11
C#CCN1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586091	1	40	-1.0	-55.48	317.94	2.71	-52.77
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004586092	0	33	-1.0	-56.51	275.52	3.45	-53.06
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004586092	1	33	-1.0	-56.50	275.57	3.47	-53.03
CC(C)(C)OC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586095	0	40	-1.0	-49.39	323.64	0.77	-48.62
CC(C)(C)OC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586095	1	40	-1.0	-49.36	323.70	0.80	-48.56
O=C(C1CNC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586096	0	31	-1.0	-53.10	258.02	-0.87	-53.97
O=C(C1CNC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586096	1	31	-1.0	-53.12	258.08	-0.84	-53.96
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586097	0	42	-1.0	-50.53	324.72	6.23	-44.30
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586097	1	42	-1.0	-50.55	324.78	6.26	-44.29
CCCCOC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586098	0	39	-1.0	-56.23	312.10	4.06	-52.17
CCCCOC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586098	1	39	-1.0	-56.22	312.16	4.07	-52.15
CCCCC(NC(N)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586099	0	41	-1.0	-59.73	324.63	0.56	-59.17
CCCCC(NC(N)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586099	1	41	-1.0	-59.69	324.69	0.59	-59.10
CC(C)CCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586100	0	39	-1.0	-55.33	314.45	4.12	-51.21
CC(C)CCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586100	1	39	-1.0	-55.31	314.51	4.15	-51.16
CC(C)CCOC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586101	0	42	-1.0	-56.08	329.67	4.58	-51.50
CC(C)CCOC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586101	1	42	-1.0	-56.10	329.73	4.59	-51.51
COCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586102	0	36	-1.0	-51.73	295.98	2.29	-49.44
COCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586102	1	36	-1.0	-51.74	296.04	2.32	-49.42
NC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586103	0	33	-1.0	-64.74	278.40	-0.70	-65.44
NC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586103	1	33	-1.0	-64.73	278.46	-0.69	-65.42
CC(OCC1CCCO1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586104	0	41	-1.0	-59.03	327.33	3.03	-56.00
CC(OCC1CCCO1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586104	1	41	-1.0	-59.04	327.39	3.05	-55.99
CC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004586105	0	32	-1.0	-55.39	283.43	1.88	-53.51
CC1=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL250004586105	1	32	-1.0	-62.56	286.33	2.02	-60.54
CC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004586105	1	32	-1.0	-55.37	283.49	1.89	-53.48
CC1=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL250004586105	1	32	-1.0	-62.58	286.39	2.04	-60.54
O=C(C1=CSC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586106	0	33	-1.0	-53.14	290.46	3.66	-49.48
O=C(C1=CSC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586106	1	33	-1.0	-53.14	290.52	3.68	-49.46
C=CCCOC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586107	0	37	-1.0	-56.08	303.41	3.84	-52.24
C=CCCOC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586107	1	37	-1.0	-56.11	303.47	3.85	-52.26
CC1=NN=C2C=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN12	REAL250004586108	0	35	-1.0	-49.38	302.74	5.01	-44.37
CC1=NN=C2C=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN12	REAL250004586108	1	35	-1.0	-49.36	302.80	5.02	-44.34
CC1=C2OC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=CC=C1	REAL250004586109	0	36	-1.0	-52.21	304.25	5.09	-47.12
CC1=C2OC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=CC=C1	REAL250004586109	1	36	-1.0	-52.22	304.31	5.11	-47.11
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586110	0	31	-1.0	-54.37	279.25	-0.67	-55.04
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586110	1	31	-1.0	-54.36	279.31	-0.64	-55.00
CN(C)C1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586111	0	37	-1.0	-55.84	301.38	3.17	-52.67
CN(C)C1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586111	1	37	-1.0	-55.83	301.44	3.19	-52.64
O=C(C1=CC=C2COCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586112	0	35	-1.0	-53.30	286.68	2.84	-50.46
O=C(C1=CC=C2COCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586112	1	35	-1.0	-53.34	286.74	2.87	-50.47
O=C(C1=CN2C=NN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586113	0	32	-1.0	-50.61	280.40	5.13	-45.48
O=C(C1=CN2C=NN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586113	1	32	-1.0	-50.61	280.35	5.11	-45.50
O=C(C=CC1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586115	0	30	-1.0	-54.07	274.62	2.33	-51.74
O=C(C=CC1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586115	1	30	-1.0	-54.10	274.68	2.35	-51.75
CCC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586116	0	35	-1.0	-51.19	297.94	2.87	-48.32
CCC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586116	1	35	-1.0	-51.21	298.00	2.89	-48.32
CN1C=C(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586117	0	32	-1.0	-51.48	277.31	1.61	-49.87
CN1C=C(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586117	1	32	-1.0	-51.48	277.37	1.63	-49.85
O=C(CCN1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586118	0	39	-1.0	-52.04	307.58	0.15	-51.89
O=C(CCN1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586118	1	39	-1.0	-52.04	307.63	0.17	-51.87
CC1=NOC(Cl)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586119	0	32	-1.0	-51.60	292.00	3.25	-48.35
CC1=NOC(Cl)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586119	1	32	-1.0	-51.61	292.06	3.28	-48.33
O=C(CCC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586120	0	35	-1.0	-52.02	294.82	3.70	-48.32
O=C(CCC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586120	1	35	-1.0	-52.00	294.88	3.73	-48.27
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL250004586121	0	45	-1.0	-51.32	333.91	6.05	-45.27
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL250004586121	1	45	-1.0	-51.30	333.97	6.08	-45.22
NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004586122	0	31	-1.0	-51.58	277.79	0.96	-50.62
NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004586122	1	31	-1.0	-51.59	277.73	0.94	-50.65
O=C(CCN1C=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586123	0	33	-1.0	-50.01	281.11	4.24	-45.77
O=C(CCN1C=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586123	1	33	-1.0	-50.03	281.17	4.27	-45.76
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586124	0	33	-1.0	-50.99	282.48	-1.37	-52.36
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586124	1	33	-1.0	-51.00	282.42	-1.40	-52.40
CN1C=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586125	0	33	-1.0	-57.51	282.14	2.49	-55.02
CN1C=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586125	1	33	-1.0	-57.49	282.08	2.47	-55.02
CCN1N=C(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586126	0	36	-1.0	-51.06	292.98	2.83	-48.23
CCN1N=C(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586126	1	36	-1.0	-51.07	293.03	2.85	-48.22
O=C(COC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586127	0	33	-1.0	-55.99	283.09	2.83	-53.16
O=C(COC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586127	1	33	-1.0	-55.95	283.03	2.80	-53.15
O=C(C1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586128	0	39	-1.0	-53.06	292.64	4.48	-48.58
O=C(C1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586128	1	39	-1.0	-53.03	292.69	4.50	-48.53
O=C(C1=CC=CC(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586129	0	30	-1.0	-56.77	264.51	3.73	-53.04
O=C(C1=CC=CC(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586129	1	30	-1.0	-56.75	264.56	3.75	-53.00
CC1CCCC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586130	0	42	-1.0	-52.57	312.89	5.32	-47.25
CC1CCCC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586130	1	42	-1.0	-52.61	312.95	5.35	-47.26
N#CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586131	0	34	-1.0	-52.52	300.09	5.06	-47.46
N#CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586131	1	34	-1.0	-52.54	300.15	5.08	-47.46
O=C(C1=CC=C(C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586132	0	33	-1.0	-52.13	285.44	4.51	-47.62
O=C(C1=CC=C(C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586132	1	33	-1.0	-52.15	285.50	4.52	-47.63
CN1C=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL250004586133	0	37	-1.0	-59.70	305.94	5.38	-54.32
CN1C=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL250004586133	1	37	-1.0	-59.68	305.88	5.36	-54.32
CC(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586134	0	35	-1.0	-52.89	301.73	3.46	-49.43
CC(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586134	1	35	-1.0	-52.85	301.79	3.48	-49.37
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C2NN=CC2=C1	REAL250004586135	0	36	-1.0	-56.90	298.97	2.95	-53.95
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C2NN=CC2=C1	REAL250004586135	1	36	-1.0	-56.87	298.91	2.93	-53.94
CC1=CC2=CNN=C2C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586135	1	36	-1.0	-66.72	301.40	3.04	-63.68
CC1=CC2=CNN=C2C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586135	1	36	-1.0	-66.68	301.35	3.03	-63.65
COC(=O)CSCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586136	0	36	-1.0	-51.89	319.25	3.84	-48.05
COC(=O)CSCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586136	1	36	-1.0	-51.83	319.30	3.87	-47.96
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CCOCC1	REAL250004586137	0	39	-1.0	-52.78	293.32	-0.36	-53.14
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CCOCC1	REAL250004586137	1	39	-1.0	-52.77	293.38	-0.33	-53.10
CC1=NC=CN1CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586138	0	39	-1.0	-58.91	322.44	4.83	-54.08
CC1=NC=CN1CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586138	1	39	-1.0	-58.89	322.50	4.85	-54.04
O=C(CC1=CC=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586139	0	33	-1.0	-51.03	295.98	5.18	-45.85
O=C(CC1=CC=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586139	1	33	-1.0	-51.03	296.04	5.20	-45.83
CCCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586140	0	38	-1.0	-51.46	297.27	4.46	-47.00
CCCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586140	1	38	-1.0	-51.43	297.32	4.48	-46.95
CC1=NOC(C)=C1C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586142	0	38	-1.0	-55.77	304.54	3.67	-52.10
CC1=NOC(C)=C1C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586142	1	38	-1.0	-55.79	304.60	3.69	-52.10
CC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586143	0	36	-1.0	-53.04	300.65	5.33	-47.71
CC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586143	1	36	-1.0	-53.07	300.71	5.36	-47.71
O=C(C1CCOC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586144	0	38	-1.0	-54.92	306.79	4.19	-50.73
O=C(C1CCOC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586144	1	38	-1.0	-54.90	306.85	4.21	-50.69
CCC1=CC=C(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586145	0	42	-1.0	-55.15	338.37	6.54	-48.61
CCC1=CC=C(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586145	1	42	-1.0	-55.15	338.43	6.56	-48.59
CC(C)CC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586146	0	41	-1.0	-51.11	314.63	4.99	-46.12
CC(C)CC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586146	1	41	-1.0	-51.11	314.69	5.02	-46.09
CCCCCCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586147	0	47	-1.0	-51.59	361.76	6.80	-44.79
CCCCCCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586147	1	47	-1.0	-51.58	361.82	6.83	-44.75
CC1=CC=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586148	0	33	-1.0	-57.68	278.35	4.28	-53.40
CC1=CC=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586148	1	33	-1.0	-57.66	278.41	4.30	-53.36
O=C(CCN1CCCC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586149	0	37	-1.0	-55.21	305.37	2.73	-52.48
O=C(CCN1CCCC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586149	1	37	-1.0	-55.21	305.43	2.75	-52.46
CC1=CC=C(C)C(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586150	0	39	-1.0	-53.20	317.42	5.82	-47.38
CC1=CC=C(C)C(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586150	1	39	-1.0	-53.19	317.48	5.84	-47.35
O=C(C1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586151	0	34	-1.0	-50.86	271.43	1.69	-49.17
O=C(C1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586151	1	34	-1.0	-50.83	271.49	1.71	-49.12
CC(C)CCC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586152	0	42	-1.0	-48.31	338.79	2.21	-46.10
CC(C)CCC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586152	1	42	-1.0	-48.30	338.85	2.23	-46.07
O=C(C1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586153	0	26	-1.0	-53.93	238.72	1.48	-52.45
O=C(C1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586153	1	26	-1.0	-53.93	238.66	1.45	-52.48
CCNC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586154	0	39	-1.0	-64.88	321.82	1.63	-63.25
CCNC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586154	1	39	-1.0	-64.85	321.88	1.64	-63.21
CCNC(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586155	0	36	-1.0	-50.38	300.32	0.84	-49.54
CCNC(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586155	1	36	-1.0	-50.40	300.38	0.87	-49.53
CCCNC(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586156	0	39	-1.0	-50.19	321.82	1.60	-48.59
CCCNC(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586156	1	39	-1.0	-50.19	321.88	1.62	-48.57
CCCNC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586157	0	42	-1.0	-64.80	343.36	2.39	-62.41
CCCNC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586157	1	42	-1.0	-64.80	343.41	2.42	-62.38
CC(C)NC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586158	0	42	-1.0	-65.07	342.45	2.43	-62.64
CC(C)NC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586158	1	42	-1.0	-65.09	342.51	2.44	-62.65
O=C(C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586159	0	30	-1.0	-36.68	270.21	3.43	-33.25
O=C(C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586159	1	30	-1.0	-36.67	270.29	3.43	-33.24
CCC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586160	0	33	-1.0	-48.72	278.23	0.15	-48.57
CCC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586160	1	33	-1.0	-48.65	278.28	0.18	-48.47
O=C(CN1C=C2C=CC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586161	0	36	-1.0	-62.47	306.28	4.33	-58.14
O=C(CN1C=C2C=CC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586161	1	36	-1.0	-62.50	306.22	4.30	-58.20
COC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL250004586162	0	31	-1.0	-59.50	270.32	2.86	-56.64
COC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL250004586162	1	31	-1.0	-59.49	270.38	2.88	-56.61
O=C(C1=CN2C=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586163	0	33	-1.0	-50.22	285.73	4.38	-45.84
O=C(C1=CN2C=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586163	1	33	-1.0	-50.19	285.79	4.40	-45.79
CC1=CC=C(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586164	0	39	-1.0	-55.48	312.26	5.57	-49.91
CC1=CC=C(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586164	1	39	-1.0	-55.47	312.32	5.59	-49.88
O=C(CNCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586165	0	31	-1.0	-54.24	276.32	0.26	-53.98
O=C(CNCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586165	1	31	-1.0	-54.26	276.38	0.28	-53.98
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL250004586166	0	33	-1.0	-52.43	286.77	4.68	-47.75
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL250004586166	1	33	-1.0	-52.43	286.83	4.71	-47.72
COCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586167	0	34	-1.0	-59.46	287.51	1.28	-58.18
COCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586167	1	34	-1.0	-59.46	287.57	1.30	-58.16
CC(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004586168	0	36	-1.0	-54.35	296.87	3.01	-51.34
CC(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004586168	1	36	-1.0	-54.34	296.92	3.03	-51.31
O=C(C1=CN2C=CC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586169	0	34	-1.0	-57.09	283.89	5.25	-51.84
O=C(C1=CN2C=CC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586169	1	34	-1.0	-57.10	283.84	5.23	-51.87
CN(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)C1CC1	REAL250004586170	0	37	-1.0	-55.88	307.55	3.22	-52.66
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)C1CC1	REAL250004586170	1	37	-1.0	-55.91	307.61	3.25	-52.66
COCC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586171	0	37	-1.0	-65.28	313.04	0.17	-65.11
COCC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586171	1	37	-1.0	-65.32	313.10	0.20	-65.12
NC(=O)CSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586172	0	31	-1.0	-64.56	279.80	-0.89	-65.45
NC(=O)CSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586172	1	31	-1.0	-64.57	279.85	-0.87	-65.44
O=C(C1=CSC2=CN=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004586174	0	30	-1.0	-48.15	275.99	4.06	-44.09
O=C(C1=CSC2=CN=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004586174	1	30	-1.0	-48.16	276.05	4.07	-44.09
O=C(CN1CCC(=O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586176	0	35	-1.0	-57.32	296.60	0.11	-57.21
O=C(CN1CCC(=O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586176	1	35	-1.0	-57.31	296.66	0.13	-57.18
O=C(C1=C2C=CC=CN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586177	0	33	-1.0	-58.82	280.46	3.36	-55.46
O=C(C1=C2C=CC=CN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586177	1	33	-1.0	-58.82	280.42	3.35	-55.47
C#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586178	0	31	-1.0	-52.56	275.74	3.91	-48.65
C#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586178	1	31	-1.0	-52.58	275.79	3.94	-48.64
O=C(C1=CC=CC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586179	0	33	-1.0	-54.69	282.88	4.40	-50.29
O=C(C1=CC=CC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586179	1	33	-1.0	-54.65	282.94	4.43	-50.22
O=C(CC1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586180	0	34	-1.0	-55.61	280.55	0.41	-55.20
O=C(CC1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586180	1	34	-1.0	-55.63	280.60	0.44	-55.19
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586181	0	42	-1.0	-51.91	333.77	6.56	-45.35
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586181	1	42	-1.0	-51.93	333.83	6.58	-45.35
O=C(C1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586182	0	37	-1.0	-55.23	301.95	5.61	-49.62
O=C(C1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586182	1	37	-1.0	-55.18	302.00	5.62	-49.56
O=C(CN1N=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586183	0	36	-1.0	-60.52	307.98	4.26	-56.26
O=C(CN1N=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586183	1	36	-1.0	-60.54	307.93	4.24	-56.30
O=C([C@H]1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586184	0	31	-1.0	-58.31	259.40	-0.55	-58.86
O=C([C@H]1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586184	1	31	-1.0	-58.33	259.46	-0.52	-58.85
CC1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586185	0	39	-1.0	-51.24	317.35	6.00	-45.24
CC1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586185	1	39	-1.0	-51.32	317.40	6.02	-45.30
COC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586187	0	34	-1.0	-58.30	290.86	-0.59	-58.89
COC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586187	1	34	-1.0	-58.28	290.91	-0.56	-58.84
O=C(C1=CC=C(F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586188	0	29	-1.0	-48.71	252.10	1.67	-47.04
O=C(C1=CC=C(F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586188	1	29	-1.0	-48.64	252.04	1.65	-46.99
O=C(C1=CC2=C(C=CS2)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586189	0	31	-1.0	-53.67	273.67	3.13	-50.54
O=C(C1=CC2=C(C=CS2)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586189	1	31	-1.0	-53.66	273.62	3.11	-50.55
O=C(CCCC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586190	0	38	-1.0	-59.73	316.32	4.47	-55.26
O=C(CCCC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586190	1	38	-1.0	-59.76	316.38	4.50	-55.26
O=C(C1=CC=C2NC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586191	0	34	-1.0	-56.92	282.19	3.59	-53.33
O=C(C1=CC=C2NC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586191	1	34	-1.0	-56.92	282.14	3.57	-53.35
COC(=O)NCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586192	0	37	-1.0	-53.71	312.44	0.19	-53.52
COC(=O)NCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586192	1	37	-1.0	-53.73	312.50	0.22	-53.51
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CCN(C)CC1	REAL250004586193	0	43	-1.0	-54.86	327.88	-0.12	-54.98
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CCN(C)CC1	REAL250004586193	1	43	-1.0	-54.87	327.93	-0.11	-54.98
COC(=O)N(C)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586194	0	40	-1.0	-62.37	332.08	2.79	-59.58
COC(=O)N(C)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586194	1	40	-1.0	-62.39	332.14	2.81	-59.58
CN1C=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004586195	0	33	-1.0	-68.88	283.99	2.62	-66.26
CN1C=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004586195	1	33	-1.0	-68.87	284.04	2.63	-66.24
CC1=CC=C2OC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=N1	REAL250004586196	0	35	-1.0	-54.54	299.29	3.21	-51.33
CC1=CC=C2OC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=N1	REAL250004586196	1	35	-1.0	-54.52	299.35	3.24	-51.28
CC1=NNC(C)=C1C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586197	0	39	-1.0	-57.50	305.31	2.28	-55.22
CC1=NNC(C)=C1C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586197	1	39	-1.0	-57.52	305.25	2.26	-55.26
C#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586198	0	31	-1.0	-54.67	272.85	2.84	-51.83
C#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586198	1	31	-1.0	-54.66	272.91	2.87	-51.79
O=C(CC1=CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586199	0	37	-1.0	-52.56	295.12	4.89	-47.67
O=C(CC1=CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586199	1	37	-1.0	-52.55	295.18	4.92	-47.63
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004586200	0	41	-1.0	-51.97	305.96	4.63	-47.34
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004586200	1	41	-1.0	-51.95	306.02	4.66	-47.29
O=C(C1=CN=C(C2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL250004586201	0	33	-1.0	-53.12	289.70	3.04	-50.08
O=C(C1=CN=C(C2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL250004586201	1	33	-1.0	-53.14	289.75	3.06	-50.08
CN1N=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL250004586202	0	35	-1.0	-40.57	288.01	1.48	-39.09
CN1N=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL250004586202	1	35	-1.0	-40.55	287.94	1.48	-39.07
CC(C)(C)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586203	0	41	-1.0	-52.05	317.54	4.91	-47.14
CC(C)(C)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586203	1	41	-1.0	-52.01	317.60	4.94	-47.07
CC(=O)C1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586204	0	32	-1.0	-63.11	283.29	2.90	-60.21
CC(=O)C1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586204	1	32	-1.0	-63.14	283.34	2.93	-60.21
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL250004586205	0	33	-1.0	-38.14	270.80	3.74	-34.40
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL250004586205	1	33	-1.0	-38.16	270.86	3.74	-34.42
O=C(COCC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586206	0	38	-1.0	-59.94	310.87	2.50	-57.44
O=C(COCC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586206	1	38	-1.0	-59.94	310.92	2.53	-57.41
O=C(C1COC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586207	0	35	-1.0	-57.30	289.17	3.49	-53.81
O=C(C1COC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586207	1	35	-1.0	-57.31	289.22	3.51	-53.80
O=C(C1=COC2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004586208	0	33	-1.0	-56.63	281.68	4.08	-52.55
O=C(C1=COC2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004586208	1	33	-1.0	-56.63	281.63	4.07	-52.56
O=C(C=CC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586209	0	38	-1.0	-53.54	306.37	3.14	-50.40
O=C(C=CC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586209	1	38	-1.0	-53.54	306.42	3.17	-50.37
O=C(C1=CC=NC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586210	0	35	-1.0	-50.18	295.94	4.15	-46.03
O=C(C1=CC=NC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586210	1	35	-1.0	-50.21	295.99	4.18	-46.03
CS(=O)(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586211	0	35	-1.0	-68.43	304.45	0.01	-68.42
CS(=O)(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586211	1	35	-1.0	-68.44	304.51	0.03	-68.41
CC1=NN(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586212	0	33	-1.0	-54.48	274.55	1.97	-52.51
CC1=NN(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586212	1	33	-1.0	-54.52	274.61	1.98	-52.54
CSC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586213	0	31	-1.0	-50.93	279.10	3.21	-47.72
CSC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586213	1	31	-1.0	-50.95	279.16	3.23	-47.72
CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586214	0	39	-1.0	-51.74	311.75	5.63	-46.11
CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586214	1	39	-1.0	-51.71	311.81	5.65	-46.06
CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586215	0	33	-1.0	-57.56	275.96	2.21	-55.35
CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586215	1	33	-1.0	-57.55	275.90	2.20	-55.35
COC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586216	0	32	-1.0	-48.67	272.48	-1.76	-50.43
COC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586216	1	32	-1.0	-48.64	272.42	-1.79	-50.43
CCCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586217	0	36	-1.0	-55.43	296.89	3.61	-51.82
CCCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586217	1	36	-1.0	-55.43	296.94	3.64	-51.79
CC(C)(C)C(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586218	0	34	-1.0	-45.58	273.78	2.75	-42.83
CC(C)(C)C(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586218	1	34	-1.0	-45.60	273.84	2.77	-42.83
O=C(CC1=CC=C(Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586220	0	32	-1.0	-54.82	291.01	3.33	-51.49
O=C(CC1=CC=C(Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586220	1	32	-1.0	-54.89	290.95	3.31	-51.58
CCN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC1=O	REAL250004586221	0	35	-1.0	-49.07	295.63	2.19	-46.88
CCN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC1=O	REAL250004586221	1	35	-1.0	-49.05	295.69	2.22	-46.83
O=C(C(O)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586222	0	34	-1.0	-52.23	281.41	2.40	-49.83
O=C(C(O)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586222	1	34	-1.0	-52.24	281.47	2.42	-49.82
CCCCCC(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586223	0	42	-1.0	-55.88	335.98	3.15	-52.73
CCCCCC(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586223	1	42	-1.0	-55.91	336.04	3.18	-52.73
CC1CCCCC1OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586224	0	43	-1.0	-55.95	335.51	5.34	-50.61
CC1CCCCC1OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586224	1	43	-1.0	-55.95	335.57	5.37	-50.58
O=C(CC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586225	0	37	-1.0	-51.18	290.16	2.55	-48.63
O=C(CC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586225	1	37	-1.0	-51.17	290.22	2.58	-48.59
CCC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586226	0	42	-1.0	-54.18	327.24	6.34	-47.84
CCC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586226	1	42	-1.0	-54.21	327.29	6.37	-47.84
CSCC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586227	0	33	-1.0	-49.25	282.58	3.40	-45.85
CSCC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586227	1	33	-1.0	-49.28	282.64	3.42	-45.86
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004586228	0	36	-1.0	-51.40	295.89	4.91	-46.49
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004586228	1	36	-1.0	-51.38	295.95	4.93	-46.45
CC1=CC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004586229	0	33	-1.0	-68.00	285.40	2.10	-65.90
CC1=CC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004586229	1	33	-1.0	-67.98	285.46	2.12	-65.86
O=CNC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586230	0	34	-1.0	-58.34	285.05	1.74	-56.60
O=CNC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586230	1	34	-1.0	-58.34	285.11	1.76	-56.58
CC1=CC=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586231	0	32	-1.0	-51.54	264.93	2.38	-49.16
CC1=CC=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586231	1	32	-1.0	-51.52	264.99	2.39	-49.13
CC(C)(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586232	0	38	-1.0	-50.21	313.55	4.22	-45.99
CC(C)(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586232	1	38	-1.0	-50.24	313.49	4.19	-46.05
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL250004586233	0	37	-1.0	-54.55	301.52	3.58	-50.97
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL250004586233	1	37	-1.0	-54.57	301.58	3.59	-50.98
CCN1CCOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586234	0	39	-1.0	-55.40	299.29	0.71	-54.69
CCN1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586234	1	39	-1.0	-55.40	299.35	0.74	-54.66
CC1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586235	0	39	-1.0	-53.57	296.92	4.52	-49.05
CC1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586235	1	39	-1.0	-53.62	296.97	4.55	-49.07
CN(C)C(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586236	0	39	-1.0	-65.62	318.11	2.74	-62.88
CN(C)C(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586236	1	39	-1.0	-65.60	318.17	2.76	-62.84
CC1=NN(C)C=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586237	0	39	-1.0	-54.56	323.60	3.78	-50.78
CC1=NN(C)C=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586237	1	39	-1.0	-54.53	323.66	3.81	-50.72
CC1=NC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586238	0	35	-1.0	-51.40	306.88	3.20	-48.20
CC1=NC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586238	1	35	-1.0	-51.42	306.93	3.23	-48.19
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004586239	0	40	-1.0	-51.09	325.89	6.50	-44.59
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004586239	1	40	-1.0	-51.03	325.95	6.52	-44.51
O=C(COC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586240	0	38	-1.0	-56.78	306.89	2.30	-54.48
O=C(COC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586240	1	38	-1.0	-56.79	306.95	2.33	-54.46
CCCCC(CC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586241	0	44	-1.0	-52.32	336.60	5.86	-46.46
CCCCC(CC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586241	1	44	-1.0	-52.31	336.66	5.88	-46.43
O=C(CC1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586242	0	40	-1.0	-57.62	316.74	6.45	-51.17
O=C(CC1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586242	1	40	-1.0	-57.61	316.81	6.47	-51.14
CC1CCCC(OCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586243	0	43	-1.0	-55.56	336.57	5.30	-50.26
CC1CCCC(OCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586243	1	43	-1.0	-55.57	336.62	5.33	-50.24
CC1=CC=CC=C1C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586244	0	42	-1.0	-51.41	331.57	6.44	-44.97
CC1=CC=CC=C1C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586244	1	42	-1.0	-51.45	331.62	6.47	-44.98
CC(NS(C)(=O)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586245	0	34	-1.0	-56.79	289.21	-2.50	-59.29
CC(NS(C)(=O)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586245	1	34	-1.0	-56.76	289.26	-2.48	-59.24
O=C(C1CCS(=O)(=O)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004586246	0	36	-1.0	-59.73	300.20	0.15	-59.58
O=C(C1CCS(=O)(=O)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004586246	1	36	-1.0	-59.71	300.26	0.16	-59.55
O=C(C1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586247	0	34	-1.0	-52.39	275.75	3.61	-48.78
O=C(C1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586247	1	34	-1.0	-52.40	275.81	3.64	-48.76
CC(C)N1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586248	0	36	-1.0	-56.23	297.33	3.35	-52.88
CC(C)N1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586248	1	36	-1.0	-56.24	297.27	3.33	-52.91
CC(CC1CCCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586249	0	45	-1.0	-52.67	337.54	6.02	-46.65
CC(CC1CCCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586249	1	45	-1.0	-52.68	337.60	6.04	-46.64
CC1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586250	0	42	-1.0	-52.78	319.91	5.54	-47.24
CC1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586250	1	42	-1.0	-52.78	319.97	5.57	-47.21
CC1=NOC(COCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586251	0	35	-1.0	-62.08	305.37	0.67	-61.41
CC1=NOC(COCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586251	1	35	-1.0	-62.14	305.43	0.70	-61.44
CC(CC1CCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586252	0	42	-1.0	-55.47	323.32	5.46	-50.01
CC(CC1CCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586252	1	42	-1.0	-55.40	323.38	5.48	-49.92
CCC(CC1CCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586253	0	45	-1.0	-53.26	340.00	6.05	-47.21
CCC(CC1CCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586253	1	45	-1.0	-53.24	340.05	6.08	-47.16
O=C(CCC1CCCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586254	0	40	-1.0	-51.06	315.24	3.60	-47.46
O=C(CCC1CCCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586254	1	40	-1.0	-51.08	315.30	3.63	-47.45
CCC(OC1CCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586255	0	43	-1.0	-57.38	328.74	5.12	-52.26
CCC(OC1CCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586255	1	43	-1.0	-57.38	328.80	5.15	-52.23
CC(OC1CCCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586256	0	43	-1.0	-55.72	328.37	5.09	-50.63
CC(OC1CCCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586256	1	43	-1.0	-55.72	328.43	5.11	-50.61
CCCCCCC(CC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586257	0	47	-1.0	-52.25	356.32	6.44	-45.81
CCCCCCC(CC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586257	1	47	-1.0	-52.22	356.38	6.45	-45.77
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586258	0	30	-1.0	-50.37	269.40	3.14	-47.23
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586258	1	30	-1.0	-50.38	269.34	3.12	-47.26
CC(C)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586259	0	35	-1.0	-46.81	292.89	3.16	-43.65
CC(C)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586259	1	35	-1.0	-46.80	292.94	3.19	-43.61
O=C(CC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586260	0	32	-1.0	-53.18	274.07	2.88	-50.30
O=C(CC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586260	1	32	-1.0	-53.18	274.13	2.91	-50.27
CN1CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586261	1	35	-1.0	-51.82	270.91	0.43	-51.39
CN1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586261	1	35	-1.0	-51.87	270.96	0.46	-51.41
CC1=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586262	0	32	-1.0	-57.92	275.42	2.85	-55.07
CC1=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586262	1	32	-1.0	-57.92	275.48	2.88	-55.04
O=C(CC1(O)CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586263	0	40	-1.0	-54.78	305.75	2.90	-51.88
O=C(CC1(O)CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586263	1	40	-1.0	-54.75	305.80	2.92	-51.83
CN(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004586264	0	37	-1.0	-53.74	300.35	3.31	-50.43
CN(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004586264	1	37	-1.0	-53.78	300.29	3.28	-50.50
CC(OC1CCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586265	0	40	-1.0	-56.77	310.56	4.39	-52.38
CC(OC1CCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586265	1	40	-1.0	-56.75	310.61	4.41	-52.34
O=C(C1CC2CCC1O2)N1CCCC1C1=N[N-]N=N1	REAL250004586266	0	35	-1.0	-56.32	272.99	1.96	-54.36
O=C(C1CC2CCC1O2)N1CCCC1C1=NN=N[N-]1	REAL250004586266	1	35	-1.0	-56.33	273.04	1.99	-54.34
NC1=NC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586267	0	30	-1.0	-51.35	253.39	0.02	-51.33
NC1=NC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586267	1	30	-1.0	-51.34	253.33	-0.01	-51.35
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004586268	0	36	-1.0	-51.40	297.26	4.97	-46.43
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004586268	1	36	-1.0	-51.43	297.32	4.98	-46.45
O=C(NC1CC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586269	0	31	-1.0	-45.80	265.26	0.23	-45.57
O=C(NC1CC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586269	1	31	-1.0	-45.82	265.32	0.26	-45.56
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=NN1C	REAL250004586270	0	32	-1.0	-51.74	269.18	1.03	-50.71
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=NN1C	REAL250004586270	1	32	-1.0	-51.74	269.24	1.05	-50.69
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CS1	REAL250004586271	0	33	-1.0	-54.05	288.47	4.32	-49.73
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CS1	REAL250004586271	1	33	-1.0	-54.05	288.53	4.33	-49.72
CC(C)(C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586272	0	38	-1.0	-51.87	295.95	4.15	-47.72
CC(C)(C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586272	1	38	-1.0	-51.89	296.01	4.17	-47.72
O=C(C1=CC=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586273	0	29	-1.0	-49.59	265.31	3.25	-46.34
O=C(C1=CC=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586273	1	29	-1.0	-49.62	265.25	3.22	-46.40
O=C(C1=CC2=C(C=CO2)S1)N1CCCC1C1=N[N-]N=N1	REAL250004586274	0	30	-1.0	-54.82	268.98	2.80	-52.02
O=C(C1=CC2=C(C=CO2)S1)N1CCCC1C1=NN=N[N-]1	REAL250004586274	1	30	-1.0	-54.83	269.04	2.83	-52.00
O=C(CC1(O)CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586275	0	37	-1.0	-49.78	288.56	2.07	-47.71
O=C(CC1(O)CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586275	1	37	-1.0	-49.79	288.61	2.10	-47.69
O=C(C1CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586276	0	34	-1.0	-51.75	281.33	5.08	-46.67
O=C(C1CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586276	1	34	-1.0	-51.76	281.39	5.10	-46.66
CC1=CC=CC(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586277	0	39	-1.0	-55.18	312.27	5.57	-49.61
CC1=CC=CC(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586277	1	39	-1.0	-55.17	312.33	5.58	-49.59
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CSC=C1	REAL250004586278	0	33	-1.0	-53.31	287.31	4.10	-49.21
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CSC=C1	REAL250004586278	1	33	-1.0	-53.32	287.37	4.12	-49.20
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=CO1	REAL250004586279	0	32	-1.0	-52.05	270.06	0.96	-51.09
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=CO1	REAL250004586279	1	32	-1.0	-52.07	270.01	0.93	-51.14
O=C(C1=NC=CN2C=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004586281	0	32	-1.0	-66.67	275.25	3.46	-63.21
O=C(C1=NC=CN2C=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004586281	1	32	-1.0	-66.64	275.19	3.45	-63.19
CCCCSCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586282	0	39	-1.0	-49.32	328.46	5.39	-43.93
CCCCSCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586282	1	39	-1.0	-49.30	328.51	5.41	-43.89
O=C(C=CC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586283	0	40	-1.0	-52.32	315.39	5.55	-46.77
O=C(C=CC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586283	1	40	-1.0	-52.31	315.45	5.57	-46.74
CC(=O)N[C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)C(N)=O	REAL250004586284	0	37	-1.0	-59.09	314.37	-2.60	-61.69
CC(=O)N[C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)C(N)=O	REAL250004586284	1	37	-1.0	-59.03	314.42	-2.58	-61.61
CC(OC1=CC=CN=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586285	0	36	-1.0	-59.18	295.67	3.16	-56.02
CC(OC1=CC=CN=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586285	1	36	-1.0	-59.14	295.61	3.13	-56.01
CC1CCC(=CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586286	0	40	-1.0	-52.80	309.68	5.37	-47.43
CC1CCC(=CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586286	1	40	-1.0	-52.79	309.74	5.39	-47.40
CSCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586287	0	36	-1.0	-51.33	307.04	4.46	-46.87
CSCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586287	1	36	-1.0	-51.35	307.10	4.49	-46.86
CCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004586288	0	36	-1.0	-49.80	299.67	1.26	-48.54
CCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004586288	1	36	-1.0	-49.78	299.61	1.23	-48.55
O=C(CC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586289	0	34	-1.0	-53.39	273.59	1.72	-51.67
O=C(CC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586289	1	34	-1.0	-53.42	273.64	1.75	-51.67
CC1=NC=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586290	0	31	-1.0	-49.57	278.13	2.98	-46.59
CC1=NC=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586290	1	31	-1.0	-49.59	278.19	3.00	-46.59
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004586291	0	36	-1.0	-63.16	301.31	5.55	-57.61
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004586291	1	36	-1.0	-63.19	301.26	5.53	-57.66
NC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(=O)NC1=O	REAL250004586292	0	32	-1.0	-45.92	272.44	-3.41	-49.33
NC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(=O)NC1=O	REAL250004586292	1	32	-1.0	-45.90	272.50	-3.40	-49.30
CC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586293	0	39	-1.0	-53.64	290.47	4.47	-49.17
CC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586293	1	39	-1.0	-53.63	290.52	4.47	-49.16
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586295	0	32	-1.0	-48.95	275.84	-0.41	-49.36
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586295	1	32	-1.0	-48.91	275.79	-0.44	-49.35
O=C(C1=CC=NC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586296	0	29	-1.0	-54.11	252.22	1.88	-52.23
O=C(C1=CC=NC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586296	1	29	-1.0	-54.16	252.16	1.86	-52.30
CCC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586297	0	39	-1.0	-52.99	322.21	6.10	-46.89
CCC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586297	1	39	-1.0	-52.97	322.27	6.13	-46.84
O=C(C(O)C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586299	0	38	-1.0	-51.44	294.31	0.32	-51.12
O=C(C(O)C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586299	1	38	-1.0	-51.48	294.37	0.35	-51.13
O=C(C1CCCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586301	0	42	-1.0	-52.32	295.47	4.68	-47.64
O=C(C1CCCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586301	1	42	-1.0	-52.31	295.53	4.71	-47.60
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004586302	0	33	-1.0	-56.38	279.47	3.35	-53.03
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004586302	1	33	-1.0	-56.35	279.53	3.37	-52.98
CC1=CC(F)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586303	0	33	-1.0	-50.95	278.58	4.28	-46.67
CC1=CC(F)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586303	1	33	-1.0	-50.97	278.63	4.29	-46.68
CC1CCC(CCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586304	0	40	-1.0	-51.13	318.41	3.56	-47.57
CC1CCC(CCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586304	1	40	-1.0	-51.11	318.47	3.58	-47.53
CCC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586305	0	38	-1.0	-50.42	286.68	4.06	-46.36
CCC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586305	1	38	-1.0	-50.46	286.73	4.09	-46.37
O=C(C1CCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004586306	0	31	-1.0	-54.37	262.18	3.26	-51.11
O=C(C1CCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004586306	1	31	-1.0	-54.35	262.24	3.29	-51.06
COCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586307	0	33	-1.0	-52.08	286.00	1.33	-50.75
COCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586307	1	33	-1.0	-52.06	286.05	1.36	-50.70
CCCC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586308	0	35	-1.0	-52.46	301.49	2.90	-49.56
CCCC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586308	1	35	-1.0	-52.45	301.55	2.92	-49.53
O=C(C1=CC=NC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586309	0	29	-1.0	-51.15	260.65	2.29	-48.86
O=C(C1=CC=NC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586309	1	29	-1.0	-51.12	260.59	2.28	-48.84
O=C(CCC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586310	0	40	-1.0	-53.87	312.64	3.24	-50.63
O=C(CCC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586310	1	40	-1.0	-53.88	312.70	3.27	-50.61
CC1=CC=C(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586311	0	36	-1.0	-57.59	301.72	4.19	-53.40
CC1=CC=C(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586311	1	36	-1.0	-57.56	301.78	4.21	-53.35
CN1CCOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586312	0	36	-1.0	-55.20	284.82	0.20	-55.00
CN1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586312	1	36	-1.0	-55.16	284.88	0.23	-54.93
CC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586313	0	32	-1.0	-51.03	270.64	0.10	-50.93
CC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586313	1	32	-1.0	-51.01	270.70	0.12	-50.89
CN(C)C(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586314	0	33	-1.0	-65.81	273.12	2.67	-63.14
CN(C)C(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586314	1	33	-1.0	-65.83	273.17	2.69	-63.14
O=C(C1=CC=CC(F)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586315	0	30	-1.0	-53.05	272.73	4.16	-48.89
O=C(C1=CC=CC(F)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586315	1	30	-1.0	-53.11	272.79	4.18	-48.93
CC1=NC(SCC(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL250004586316	0	33	-1.0	-56.64	298.00	2.19	-54.45
CC1=NC(SCC(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL250004586316	1	33	-1.0	-56.71	298.06	2.22	-54.49
O=C(CCCC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586317	0	42	-1.0	-52.13	326.45	5.84	-46.29
O=C(CCCC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586317	1	42	-1.0	-52.12	326.51	5.86	-46.26
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1CC1	REAL250004586318	0	37	-1.0	-57.38	307.56	3.95	-53.43
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1CC1	REAL250004586318	1	37	-1.0	-57.40	307.61	3.98	-53.42
CCCCCCC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586319	0	44	-1.0	-52.23	344.15	6.00	-46.23
CCCCCCC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586319	1	44	-1.0	-52.25	344.21	6.01	-46.24
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004586320	0	29	-1.0	-52.99	250.38	2.39	-50.60
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004586320	1	29	-1.0	-53.05	250.44	2.41	-50.64
CCCCCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586321	0	44	-1.0	-51.49	340.26	6.02	-45.47
CCCCCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586321	1	44	-1.0	-51.51	340.32	6.05	-45.46
O=C(C1=CC=CC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586322	0	30	-1.0	-50.31	256.73	1.09	-49.22
O=C(C1=CC=CC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586322	1	30	-1.0	-50.33	256.79	1.10	-49.23
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCC1	REAL250004586323	0	39	-1.0	-53.01	295.37	4.55	-48.46
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCC1	REAL250004586323	1	39	-1.0	-53.00	295.43	4.57	-48.43
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL250004586324	0	33	-1.0	-43.12	271.08	3.83	-39.29
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL250004586324	1	33	-1.0	-43.13	271.14	3.83	-39.30
NC(=O)C1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586325	0	32	-1.0	-65.68	274.41	-1.31	-66.99
NC(=O)C1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586325	1	32	-1.0	-65.69	274.46	-1.29	-66.98
CC1=CSC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586326	0	30	-1.0	-52.67	260.42	3.24	-49.43
CC1=CSC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586326	1	30	-1.0	-52.68	260.47	3.26	-49.42
O=C(C1=C2NC=CC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586327	0	34	-1.0	-54.13	282.22	3.67	-50.46
O=C(C1=C2NC=CC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586327	1	34	-1.0	-54.11	282.16	3.66	-50.45
O=C(CC1=CC(F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586328	0	33	-1.0	-51.93	291.11	4.76	-47.17
O=C(CC1=CC(F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586328	1	33	-1.0	-51.92	291.17	4.78	-47.14
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586329	0	28	-1.0	-49.38	263.10	3.05	-46.33
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586329	1	28	-1.0	-49.36	263.16	3.07	-46.29
CC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586330	0	33	-1.0	-52.60	275.69	3.52	-49.08
CC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586330	1	33	-1.0	-52.54	275.74	3.55	-48.99
NC(=O)CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586331	0	33	-1.0	-62.30	289.76	-2.41	-64.71
NC(=O)CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586331	1	33	-1.0	-62.24	289.71	-2.44	-64.68
O=C(CCN1C=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586332	0	34	-1.0	-48.71	286.45	4.54	-44.17
O=C(CCN1C=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586332	1	34	-1.0	-48.69	286.51	4.56	-44.13
O=C(C1CCC2=CNN=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004586333	0	37	-1.0	-55.55	294.12	2.44	-53.11
O=C(C1CCC2=CNN=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004586333	1	37	-1.0	-55.56	294.18	2.46	-53.10
C#CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586334	0	36	-1.0	-54.11	308.34	4.36	-49.75
C#CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586334	1	36	-1.0	-54.09	308.39	4.38	-49.71
C=CCOCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586335	0	37	-1.0	-55.06	309.24	3.05	-52.01
C=CCOCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586335	1	37	-1.0	-55.06	309.30	3.08	-51.98
O=C(C1CC1C1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586336	0	43	-1.0	-53.51	321.40	6.04	-47.47
O=C(C1CC1C1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586336	1	43	-1.0	-53.53	321.45	6.05	-47.48
CC(C)CC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586337	0	42	-1.0	-61.35	338.55	2.16	-59.19
CC(C)CC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586337	1	42	-1.0	-61.32	338.61	2.19	-59.13
CC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586338	0	32	-1.0	-53.51	267.07	2.44	-51.07
CC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586338	1	32	-1.0	-53.51	267.01	2.42	-51.09
O=C(C1=CC=CC2=CN=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586339	0	35	-1.0	-57.75	290.14	4.04	-53.71
O=C(C1=CC=CC2=CN=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586339	1	35	-1.0	-57.74	290.08	4.02	-53.72
O=C(CCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586340	0	29	-1.0	-48.12	258.94	2.83	-45.29
O=C(CCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586340	1	29	-1.0	-48.10	259.00	2.85	-45.25
O=C(C1CC12CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586341	0	38	-1.0	-52.95	298.71	3.14	-49.81
O=C(C1CC12CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586341	1	38	-1.0	-52.97	298.77	3.17	-49.80
CN1CCCC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586342	1	38	-1.0	-52.98	291.32	1.65	-51.33
CN1CCCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586342	1	38	-1.0	-52.99	291.38	1.68	-51.31
O=C(CC1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586343	0	42	-1.0	-52.09	310.82	5.34	-46.75
O=C(CC1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586343	1	42	-1.0	-52.08	310.88	5.37	-46.71
N#CC1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586344	0	29	-1.0	-55.64	258.50	2.40	-53.24
N#CC1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586344	1	29	-1.0	-55.66	258.56	2.42	-53.24
O=C(C#CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586345	0	32	-1.0	-53.30	286.88	5.35	-47.95
O=C(C#CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586345	1	32	-1.0	-53.29	286.94	5.38	-47.91
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004586346	0	36	-1.0	-60.44	295.72	2.73	-57.71
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004586346	1	36	-1.0	-60.45	295.66	2.70	-57.75
O=C(C1=CN2N=NN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586347	0	31	-1.0	-36.03	260.13	1.21	-34.82
O=C(C1=CN2N=NN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586347	1	31	-1.0	-36.01	260.06	1.19	-34.82
O=C(CCC1=COC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586348	0	33	-1.0	-52.75	281.37	3.43	-49.32
O=C(CCC1=COC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586348	1	33	-1.0	-52.80	281.43	3.45	-49.35
O=C(CCC1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586349	0	40	-1.0	-51.75	312.56	3.25	-48.50
O=C(CCC1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586349	1	40	-1.0	-51.78	312.62	3.28	-48.50
CC1=CC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586350	0	32	-1.0	-53.87	264.47	3.44	-50.43
CC1=CC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586350	1	32	-1.0	-53.85	264.42	3.42	-50.43
CN1N=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C21	REAL250004586351	0	35	-1.0	-44.93	289.70	2.09	-42.84
CN1N=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C21	REAL250004586351	1	35	-1.0	-44.91	289.64	2.11	-42.80
O=C(C1CSCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004586352	0	32	-1.0	-51.01	282.13	3.68	-47.33
O=C(C1CSCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004586352	1	32	-1.0	-51.03	282.19	3.71	-47.32
O=C(CCOC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586353	0	41	-1.0	-50.22	327.93	1.99	-48.23
O=C(CCOC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586353	1	41	-1.0	-50.17	327.99	2.02	-48.15
CC1(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004586354	0	39	-1.0	-51.91	298.79	4.63	-47.28
CC1(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004586354	1	39	-1.0	-51.87	298.84	4.65	-47.22
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1F	REAL250004586355	0	33	-1.0	-51.51	284.89	4.39	-47.12
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1F	REAL250004586355	1	33	-1.0	-51.56	284.95	4.40	-47.16
O=C(C1=CC=C(F)C(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586356	0	30	-1.0	-37.34	262.22	3.29	-34.05
O=C(C1=CC=C(F)C(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586356	1	30	-1.0	-37.37	262.29	3.29	-34.08
O=C(CCC1=NN=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004586357	0	32	-1.0	-52.74	274.62	2.88	-49.86
O=C(CCC1=NN=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004586357	1	32	-1.0	-52.71	274.67	2.90	-49.81
CNS(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586358	0	31	-1.0	-65.17	275.74	-2.88	-68.05
CNS(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586358	1	31	-1.0	-65.15	275.80	-2.85	-68.00
CN1C(=O)NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004586359	0	33	-1.0	-42.60	266.74	-0.44	-43.04
CN1C(=O)NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004586359	1	33	-1.0	-42.58	266.78	-0.43	-43.01
O=C(CCC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586360	0	37	-1.0	-54.63	294.68	2.47	-52.16
O=C(CCC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586360	1	37	-1.0	-54.64	294.73	2.49	-52.15
N#CC1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586361	0	28	-1.0	-54.53	262.44	2.87	-51.66
N#CC1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586361	1	28	-1.0	-54.50	262.50	2.90	-51.60
CC(C)C1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586362	0	39	-1.0	-50.62	311.45	3.25	-47.37
CC(C)C1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586362	1	39	-1.0	-50.66	311.50	3.27	-47.39
CC(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004586363	0	39	-1.0	-57.12	316.67	3.69	-53.43
CC(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004586363	1	39	-1.0	-57.14	316.73	3.72	-53.42
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C(F)F	REAL250004586364	0	26	-1.0	-44.12	241.65	1.97	-42.15
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C(F)F	REAL250004586364	1	26	-1.0	-44.13	241.70	1.99	-42.14
O=C(C1=NC=NC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586365	0	28	-1.0	-49.57	256.36	3.08	-46.49
O=C(C1=NC=NC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586365	1	28	-1.0	-49.59	256.30	3.05	-46.54
O=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004586366	0	30	-1.0	-54.94	261.24	1.53	-53.41
O=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004586366	1	30	-1.0	-54.95	261.29	1.54	-53.41
CC(CS(C)(=O)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586367	0	35	-1.0	-53.56	298.10	-0.08	-53.64
CC(CS(C)(=O)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586367	1	35	-1.0	-53.53	298.16	-0.07	-53.60
COC1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586368	0	31	-1.0	-54.33	272.03	1.81	-52.52
COC1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586368	1	31	-1.0	-54.29	272.09	1.84	-52.45
CC(C)CCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586369	0	44	-1.0	-51.96	344.37	6.07	-45.89
CC(C)CCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586369	1	44	-1.0	-51.95	344.43	6.10	-45.85
CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586370	0	36	-1.0	-51.27	303.29	4.41	-46.86
CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586370	1	36	-1.0	-51.26	303.35	4.44	-46.82
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586371	0	33	-1.0	-52.10	278.12	1.57	-50.53
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586371	1	33	-1.0	-52.14	278.06	1.55	-50.59
O=C(COC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586372	0	35	-1.0	-58.56	289.25	1.48	-57.08
O=C(COC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586372	1	35	-1.0	-58.56	289.31	1.51	-57.05
O=C(C1CC12CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586373	0	37	-1.0	-55.09	291.91	4.84	-50.25
O=C(C1CC12CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586373	1	37	-1.0	-55.08	291.97	4.86	-50.22
O=CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586374	0	29	-1.0	-52.49	264.21	2.36	-50.13
O=CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586374	1	29	-1.0	-52.48	264.27	2.39	-50.09
O=C(C1CC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586375	0	30	-1.0	-49.59	258.62	3.11	-46.48
O=C(C1CC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586375	1	30	-1.0	-49.58	258.68	3.13	-46.45
O=C(C1=CC(=O)NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586376	0	30	-1.0	-61.59	264.61	0.83	-60.76
O=C(C1=CC(=O)NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586376	1	30	-1.0	-61.58	264.67	0.85	-60.73
CCC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586377	0	38	-1.0	-55.42	314.34	4.86	-50.56
CCC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586377	1	38	-1.0	-55.40	314.39	4.88	-50.52
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL250004586378	0	34	-1.0	-49.72	287.04	2.94	-46.78
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL250004586378	1	34	-1.0	-49.71	287.10	2.97	-46.74
CC1=NNC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586379	0	33	-1.0	-55.25	281.07	1.57	-53.68
CC1=NNC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586379	1	33	-1.0	-55.23	281.13	1.60	-53.63
CCC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586380	0	42	-1.0	-52.38	329.89	6.15	-46.23
CCC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586380	1	42	-1.0	-52.38	329.95	6.17	-46.21
O=C(C1=CC=CC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586381	0	30	-1.0	-55.57	274.39	4.18	-51.39
O=C(C1=CC=CC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586381	1	30	-1.0	-55.55	274.44	4.19	-51.36
O=C(CC1=CC=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586382	0	33	-1.0	-50.32	291.11	4.76	-45.56
O=C(CC1=CC=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586382	1	33	-1.0	-50.31	291.17	4.78	-45.53
O=C(CC1=CC=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586383	0	33	-1.0	-54.50	291.95	4.79	-49.71
O=C(CC1=CC=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586383	1	33	-1.0	-54.50	292.01	4.81	-49.69
O=C(CC1=C(F)C=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586384	0	33	-1.0	-54.74	289.89	4.72	-50.02
O=C(CC1=C(F)C=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586384	1	33	-1.0	-54.72	289.95	4.75	-49.97
COCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586385	0	36	-1.0	-53.99	290.48	2.15	-51.84
COCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586385	1	36	-1.0	-54.02	290.54	2.18	-51.84
O=C(C1CC1CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586386	0	40	-1.0	-53.11	326.95	6.89	-46.22
O=C(C1CC1CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586386	1	40	-1.0	-53.10	327.01	6.92	-46.18
O=C(CC1=CC=CC(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586387	0	33	-1.0	-60.19	291.00	4.75	-55.44
O=C(CC1=CC=CC(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586387	1	33	-1.0	-60.19	291.06	4.78	-55.41
CC(C)CC(C)OCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586388	0	45	-1.0	-49.99	354.50	4.61	-45.38
CC(C)CC(C)OCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586388	1	45	-1.0	-49.99	354.56	4.64	-45.35
O=C(CC1CCCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586389	0	37	-1.0	-56.53	293.35	3.59	-52.94
O=C(CC1CCCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586389	1	37	-1.0	-56.55	293.41	3.61	-52.94
CCN(CC)C(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586390	0	42	-1.0	-50.43	338.38	3.88	-46.55
CCN(CC)C(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586390	1	42	-1.0	-50.48	338.44	3.90	-46.58
CC1=CC(Cl)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586391	0	33	-1.0	-51.00	288.90	4.71	-46.29
CC1=CC(Cl)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586391	1	33	-1.0	-50.97	288.95	4.72	-46.25
CC1=NC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL250004586392	0	35	-1.0	-57.75	304.73	3.03	-54.72
CC1=NC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL250004586392	1	35	-1.0	-57.72	304.79	3.06	-54.66
CC(O)C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586393	0	36	-1.0	-72.04	307.77	-1.26	-73.30
CC(O)C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586393	1	36	-1.0	-72.05	307.83	-1.23	-73.28
CC(C)N1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586394	0	36	-1.0	-50.93	291.76	3.01	-47.92
CC(C)N1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586394	1	36	-1.0	-50.89	291.70	2.99	-47.90
O=C(CC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586395	0	32	-1.0	-53.18	274.07	2.88	-50.30
O=C(CC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586395	1	32	-1.0	-53.18	274.13	2.91	-50.27
O=C(CC1=CC=C(O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586396	0	34	-1.0	-54.74	290.26	1.81	-52.93
O=C(CC1=CC=C(O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586396	1	34	-1.0	-54.74	290.32	1.84	-52.90
CC1CCN(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586397	1	41	-1.0	-52.82	315.65	2.71	-50.11
O=C(C1CCNC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586398	0	34	-1.0	-54.10	273.40	-0.02	-54.12
O=C(C1CCNC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586398	1	34	-1.0	-54.14	273.45	0.00	-54.14
O=C(C=CC1=CC=CC(CO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586399	0	38	-1.0	-56.59	321.10	2.47	-54.12
O=C(C=CC1=CC=CC(CO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586399	1	38	-1.0	-56.60	321.16	2.49	-54.11
CC1(C)CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586400	0	42	-1.0	-53.34	310.16	4.81	-48.53
CC1(C)CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586400	1	42	-1.0	-53.32	310.22	4.84	-48.48
COC(=O)C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586401	0	35	-1.0	-48.56	291.25	3.06	-45.50
COC(=O)C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586401	1	35	-1.0	-48.59	291.30	3.08	-45.51
O=C(C(F)=C1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586402	0	34	-1.0	-48.67	276.93	4.24	-44.43
O=C(C(F)=C1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586402	1	34	-1.0	-48.65	276.99	4.26	-44.39
CCC1=CC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586403	0	36	-1.0	-53.25	290.45	4.91	-48.34
CCC1=CC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586403	1	36	-1.0	-53.26	290.51	4.92	-48.34
O=C(C1CCCC2=NNC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586404	0	37	-1.0	-53.17	297.46	2.53	-50.64
O=C(C1CCCC2=NNC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586404	1	37	-1.0	-53.21	297.52	2.54	-50.67
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586405	0	33	-1.0	-48.41	292.84	2.85	-45.56
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586405	1	33	-1.0	-48.44	292.90	2.88	-45.56
CC1=CC(F)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL250004586406	0	33	-1.0	-42.83	276.36	3.86	-38.97
CC1=CC(F)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL250004586406	1	33	-1.0	-42.80	276.42	3.86	-38.94
O=C(C1=CC=CC2=NC=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004586407	0	33	-1.0	-51.51	285.24	4.16	-47.35
O=C(C1=CC=CC2=NC=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004586407	1	33	-1.0	-51.53	285.30	4.18	-47.35
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586408	0	30	-1.0	-47.20	273.91	4.15	-43.05
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586408	1	30	-1.0	-47.23	273.97	4.17	-43.06
O=C(C1=CN=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586409	0	29	-1.0	-48.90	251.96	1.85	-47.05
O=C(C1=CN=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586409	1	29	-1.0	-48.90	251.90	1.83	-47.07
CC1=CC(=O)NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586410	0	33	-1.0	-50.45	282.65	1.30	-49.15
CC1=CC(=O)NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586410	1	33	-1.0	-50.45	282.71	1.31	-49.14
CCCC(O)(CCC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586411	0	45	-1.0	-49.78	340.36	3.90	-45.88
CCCC(O)(CCC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586411	1	45	-1.0	-49.77	340.42	3.93	-45.84
CC(C)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586412	0	38	-1.0	-53.77	308.62	4.54	-49.23
CC(C)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586412	1	38	-1.0	-53.77	308.68	4.57	-49.20
N#CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586413	0	30	-1.0	-66.08	275.60	2.95	-63.13
N#CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586413	1	30	-1.0	-66.08	275.54	2.93	-63.15
O=C(C1=CNC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586414	0	34	-1.0	-54.56	286.52	3.34	-51.22
O=C(C1=CNC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586414	1	34	-1.0	-54.50	286.57	3.36	-51.14
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL250004586415	0	33	-1.0	-50.94	286.13	4.64	-46.30
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL250004586415	1	33	-1.0	-50.97	286.19	4.67	-46.30
CC1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586416	0	39	-1.0	-52.05	302.98	4.93	-47.12
CC1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586416	1	39	-1.0	-52.04	303.04	4.95	-47.09
CCC(CC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586417	0	38	-1.0	-52.13	289.90	4.21	-47.92
CCC(CC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586417	1	38	-1.0	-52.14	289.96	4.24	-47.90
CC=C(C=CC(=O)N1CCCC1C1=N[N-]N=N1)CC	REAL250004586418	0	37	-1.0	-52.89	303.26	4.89	-48.00
CC=C(C=CC(=O)N1CCCC1C1=NN=N[N-]1)CC	REAL250004586418	1	37	-1.0	-52.88	303.32	4.92	-47.96
CC1CCC(=CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586419	0	37	-1.0	-52.93	294.63	4.89	-48.04
CC1CCC(=CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586419	1	37	-1.0	-52.96	294.68	4.92	-48.04
O=C(C1CCSC1)N1CCCC1C1=N[N-]N=N1	REAL250004586420	0	31	-1.0	-50.40	258.18	3.10	-47.30
O=C(C1CCSC1)N1CCCC1C1=NN=N[N-]1	REAL250004586420	1	31	-1.0	-50.41	258.24	3.13	-47.28
CC(C(=O)N1CCCC1C1=N[N-]N=N1)=C1CCCC1	REAL250004586421	0	37	-1.0	-55.36	296.71	4.70	-50.66
CC(C(=O)N1CCCC1C1=NN=N[N-]1)=C1CCCC1	REAL250004586421	1	37	-1.0	-55.34	296.76	4.72	-50.62
O=C(CC1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586422	0	37	-1.0	-50.98	298.97	4.63	-46.35
O=C(CC1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586422	1	37	-1.0	-50.96	299.03	4.65	-46.31
CCOC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004586423	0	42	-1.0	-54.55	326.83	4.37	-50.18
CCOC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004586423	1	42	-1.0	-54.58	326.89	4.39	-50.19
O=C(CN1C=C(C2CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586424	0	36	-1.0	-61.93	305.22	2.85	-59.08
O=C(CN1C=C(C2CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586424	1	36	-1.0	-61.91	305.28	2.87	-59.04
CCS(=O)(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586425	0	34	-1.0	-62.27	297.22	-1.96	-64.23
CCS(=O)(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586425	1	34	-1.0	-62.32	297.28	-1.94	-64.26
COC(=O)CC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586426	0	35	-1.0	-48.18	291.13	2.90	-45.28
COC(=O)CC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586426	1	35	-1.0	-48.19	291.19	2.92	-45.27
CC1=C(C)OC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586427	0	33	-1.0	-53.13	278.89	3.52	-49.61
CC1=C(C)OC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586427	1	33	-1.0	-53.15	278.95	3.55	-49.60
C=CCC(CC=C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586428	0	37	-1.0	-51.68	299.84	4.53	-47.15
C=CCC(CC=C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586428	1	37	-1.0	-51.65	299.90	4.54	-47.11
CC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004586429	0	34	-1.0	-53.94	277.44	3.19	-50.75
CC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004586429	1	34	-1.0	-53.94	277.50	3.21	-50.73
O=C(C1=CC=C2SC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586430	0	33	-1.0	-53.12	287.72	4.90	-48.22
O=C(C1=CC=C2SC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586430	1	33	-1.0	-53.06	287.66	4.89	-48.17
O=C(C1=CC=C(C2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL250004586431	0	34	-1.0	-52.55	293.91	4.91	-47.64
O=C(C1=CC=C(C2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL250004586431	1	34	-1.0	-52.56	293.97	4.93	-47.63
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586432	0	30	-1.0	-48.61	273.91	4.12	-44.49
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586432	1	30	-1.0	-48.57	273.96	4.14	-44.43
CCC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586433	0	37	-1.0	-57.75	296.11	3.68	-54.07
CCC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586433	1	37	-1.0	-57.79	296.17	3.71	-54.08
O=C(CC1=CN=C2NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004586434	0	36	-1.0	-70.18	305.57	3.97	-66.21
O=C(CC1=CN=C2NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004586434	1	36	-1.0	-70.19	305.63	4.00	-66.19
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL250004586435	0	33	-1.0	-58.68	277.26	4.26	-54.42
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL250004586435	1	33	-1.0	-58.70	277.32	4.27	-54.43
CSCCC(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586436	0	34	-1.0	-50.66	291.70	1.43	-49.23
CSCCC(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586436	1	34	-1.0	-50.70	291.76	1.45	-49.25
O=C([C@@H](O)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586437	0	34	-1.0	-53.21	280.81	2.37	-50.84
O=C([C@@H](O)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586437	1	34	-1.0	-53.24	280.87	2.39	-50.85
O=C([C@H](O)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586438	0	34	-1.0	-52.99	277.15	2.26	-50.73
O=C([C@H](O)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586438	1	34	-1.0	-53.00	277.20	2.29	-50.71
CC(C)(C)C(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586439	0	36	-1.0	-49.56	273.62	1.49	-48.07
CC(C)(C)C(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586439	1	36	-1.0	-49.57	273.68	1.51	-48.06
COC(=O)CC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586441	0	41	-1.0	-57.62	318.62	4.10	-53.52
COC(=O)CC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586441	1	41	-1.0	-57.63	318.68	4.12	-53.51
CN1C=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL250004586442	0	36	-1.0	-47.65	292.39	4.35	-43.30
CN1C=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL250004586442	1	36	-1.0	-47.61	292.33	4.35	-43.26
CCN1N=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586443	0	37	-1.0	-52.93	312.59	3.65	-49.28
CCN1N=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586443	1	37	-1.0	-52.97	312.65	3.66	-49.31
O=C(C1=NC(Cl)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586444	0	29	-1.0	-54.35	269.98	3.23	-51.12
O=C(C1=NC(Cl)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586444	1	29	-1.0	-54.40	269.92	3.21	-51.19
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL250004586445	0	29	-1.0	-64.91	258.26	2.25	-62.66
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL250004586445	1	29	-1.0	-64.89	258.32	2.27	-62.62
CNC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586446	0	32	-1.0	-50.05	272.79	-2.01	-52.06
CNC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586446	1	32	-1.0	-50.05	272.84	-1.99	-52.04
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586447	0	32	-1.0	-54.18	270.00	3.40	-50.78
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586447	1	32	-1.0	-54.17	269.95	3.37	-50.80
O=C(C1=CC=C2N=CNC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586448	0	32	-1.0	-55.89	274.10	3.42	-52.47
O=C(C1=CC=C2N=CNC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586448	1	32	-1.0	-55.86	274.05	3.39	-52.47
O=C(C1=CC=C2N=CN=C2N1)N1CCCC1C1=NN=N[N-]1	REAL250004586448	1	32	-1.0	-47.46	272.76	3.10	-44.36
O=C(C1=CC=C2N=CN=C2N1)N1CCCC1C1=N[N-]N=N1	REAL250004586448	1	32	-1.0	-47.44	272.71	3.08	-44.36
CN(C)CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586449	0	37	-1.0	-50.91	307.55	1.10	-49.81
CN(C)CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586449	1	37	-1.0	-50.88	307.61	1.12	-49.76
O=C(CSCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586450	0	30	-1.0	-55.16	282.76	3.45	-51.71
O=C(CSCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586450	1	30	-1.0	-55.15	282.82	3.48	-51.67
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586451	0	33	-1.0	-56.55	281.93	3.64	-52.91
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586451	1	33	-1.0	-56.56	281.99	3.65	-52.91
CCCC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004586452	0	41	-1.0	-52.08	305.77	4.50	-47.58
CCCC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004586452	1	41	-1.0	-52.09	305.82	4.51	-47.58
CC(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586453	0	35	-1.0	-50.27	294.62	3.69	-46.58
CC(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586453	1	35	-1.0	-50.25	294.68	3.72	-46.53
CCC(C)C(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586454	0	36	-1.0	-51.81	278.30	1.59	-50.22
CCC(C)C(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586454	1	36	-1.0	-51.81	278.35	1.61	-50.20
CN1CCOCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586455	0	36	-1.0	-51.10	283.71	-0.76	-51.86
CN1CCOCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586455	1	36	-1.0	-51.10	283.77	-0.74	-51.84
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1F	REAL250004586456	0	36	-1.0	-40.25	298.29	4.56	-35.69
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1F	REAL250004586456	1	36	-1.0	-40.30	298.36	4.56	-35.74
CC(C)N1C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586457	0	37	-1.0	-54.40	294.97	4.50	-49.90
CC(C)N1C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586457	1	37	-1.0	-54.43	295.03	4.52	-49.91
CC1=C(C)NC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586458	0	35	-1.0	-71.07	291.06	2.05	-69.02
CC1=C(C)NC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586458	1	35	-1.0	-71.08	291.12	2.07	-69.01
CC1(CCC(=O)N2CCCC2C2=N[N-]N=N2)CCC(=O)N1	REAL250004586459	0	40	-1.0	-53.83	319.57	1.70	-52.13
CC1(CCC(=O)N2CCCC2C2=NN=N[N-]2)CCC(=O)N1	REAL250004586459	1	40	-1.0	-53.85	319.63	1.72	-52.13
CC1=CC=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586460	0	33	-1.0	-50.88	287.70	4.75	-46.13
CC1=CC=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586460	1	33	-1.0	-50.87	287.76	4.77	-46.10
CC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL250004586461	0	38	-1.0	-55.42	303.28	3.83	-51.59
CC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL250004586461	1	38	-1.0	-55.43	303.33	3.85	-51.58
O=C(C1=CN=C2C=CC=CN12)N1CCCC1C1=NN=N[N-]1	REAL250004586462	0	33	-1.0	-57.37	274.88	3.89	-53.48
O=C(C1=CN=C2C=CC=CN12)N1CCCC1C1=N[N-]N=N1	REAL250004586462	1	33	-1.0	-57.44	274.82	3.88	-53.56
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586463	0	45	-1.0	-53.36	331.97	5.64	-47.72
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586463	1	45	-1.0	-53.36	332.03	5.66	-47.70
CCN1C=C(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586464	0	35	-1.0	-51.59	298.82	2.47	-49.12
CCN1C=C(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586464	1	35	-1.0	-51.57	298.88	2.50	-49.07
CC1CC(=O)CCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586465	0	38	-1.0	-56.43	301.16	3.62	-52.81
CC1CC(=O)CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586465	1	38	-1.0	-56.45	301.21	3.63	-52.82
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL250004586466	0	33	-1.0	-54.78	285.05	4.62	-50.16
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL250004586466	1	33	-1.0	-54.86	285.11	4.63	-50.23
CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL250004586467	0	42	-1.0	-51.38	307.02	5.19	-46.19
CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL250004586467	1	42	-1.0	-51.38	307.08	5.22	-46.16
CC1=NN=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586468	0	31	-1.0	-49.57	260.02	1.37	-48.20
CC1=NN=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586468	1	31	-1.0	-49.56	260.09	1.38	-48.18
CC1(C)OCC(C)(C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL250004586469	0	41	-1.0	-49.93	305.92	1.90	-48.03
CC1(C)OCC(C)(C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL250004586469	1	41	-1.0	-49.98	305.98	1.92	-48.06
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)CCCO1	REAL250004586470	0	35	-1.0	-51.30	281.61	3.00	-48.30
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)CCCO1	REAL250004586470	1	35	-1.0	-51.30	281.67	3.01	-48.29
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCOCC1	REAL250004586471	0	40	-1.0	-52.67	304.15	2.82	-49.85
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCOCC1	REAL250004586471	1	40	-1.0	-52.62	304.21	2.84	-49.78
CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=NN2C=C1	REAL250004586472	0	36	-1.0	-59.01	301.77	4.01	-55.00
CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=NN2C=C1	REAL250004586472	1	36	-1.0	-59.01	301.72	3.99	-55.02
O=C(CN1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586473	1	35	-1.0	-52.04	275.19	0.89	-51.15
O=C(CN1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586473	1	35	-1.0	-52.06	275.25	0.92	-51.14
O=C(CN1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586474	0	36	-1.0	-52.46	285.73	-0.37	-52.83
O=C(CN1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586474	1	36	-1.0	-52.48	285.78	-0.35	-52.83
CC(CN1CCOCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586475	0	42	-1.0	-52.82	325.34	1.00	-51.82
CC(CN1CCOCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586475	1	42	-1.0	-52.86	325.40	1.01	-51.85
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586476	0	32	-1.0	-66.22	281.12	3.61	-62.61
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586476	1	32	-1.0	-66.14	281.06	3.58	-62.56
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL250004586477	0	34	-1.0	-41.90	275.37	2.28	-39.62
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL250004586477	1	34	-1.0	-41.92	275.43	2.29	-39.63
O=C(C1=CC=C(O)C=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004586478	0	32	-1.0	-42.45	264.92	-1.21	-43.66
O=C(C1=CC=C(O)C=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004586478	1	32	-1.0	-42.45	264.98	-1.21	-43.66
O=C(C1=CC(F)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004586479	0	31	-1.0	-41.72	260.39	1.69	-40.03
O=C(C1=CC(F)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004586479	1	31	-1.0	-41.76	260.45	1.69	-40.07
CCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1O	REAL250004586480	0	37	-1.0	-44.08	295.61	3.08	-41.00
CCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1O	REAL250004586480	1	37	-1.0	-44.07	295.67	3.07	-41.00
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1O	REAL250004586481	0	35	-1.0	-41.92	284.71	0.04	-41.88
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1O	REAL250004586481	1	35	-1.0	-41.92	284.77	0.04	-41.88
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1C	REAL250004586482	0	37	-1.0	-56.31	299.59	3.11	-53.20
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1C	REAL250004586482	1	37	-1.0	-56.34	299.64	3.13	-53.21
C=CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586483	0	40	-1.0	-52.31	328.55	6.50	-45.81
C=CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586483	1	40	-1.0	-52.35	328.61	6.52	-45.83
O=C(C1=C(O)C=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586484	0	31	-1.0	-56.43	285.29	1.46	-54.97
O=C(C1=C(O)C=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586484	1	31	-1.0	-56.40	285.34	1.49	-54.91
CCC1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586485	0	37	-1.0	-41.39	293.64	3.14	-38.25
CCC1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586485	1	37	-1.0	-41.39	293.69	3.14	-38.25
CSC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586486	0	33	-1.0	-55.38	279.87	3.48	-51.90
CSC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586486	1	33	-1.0	-55.38	279.93	3.51	-51.87
N#CC1=CC=C(NCC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586487	0	35	-1.0	-54.72	307.68	2.45	-52.27
N#CC1=CC=C(NCC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586487	1	35	-1.0	-54.66	307.62	2.42	-52.24
CN1C(=O)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586488	0	33	-1.0	-49.63	281.37	2.27	-47.36
CN1C(=O)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586488	1	33	-1.0	-49.64	281.43	2.29	-47.35
CN(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCSC1	REAL250004586489	1	39	-1.0	-51.54	309.46	2.23	-49.31
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCSC1	REAL250004586489	1	39	-1.0	-51.50	309.52	2.25	-49.25
CC1=CN2C(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C2C=C1	REAL250004586490	0	36	-1.0	-57.26	296.68	4.57	-52.69
CC1=CN2C(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C2C=C1	REAL250004586490	1	36	-1.0	-57.26	296.63	4.55	-52.71
NC(=O)NC1(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586491	0	33	-1.0	-69.26	276.48	-1.95	-71.21
NC(=O)NC1(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586491	1	33	-1.0	-69.28	276.53	-1.93	-71.21
CN(C)C1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586492	0	36	-1.0	-55.19	297.95	2.39	-52.80
CN(C)C1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586492	1	36	-1.0	-55.17	297.89	2.36	-52.81
CN1C=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004586493	0	33	-1.0	-67.71	287.86	3.09	-64.62
CN1C=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004586493	1	33	-1.0	-67.73	287.92	3.12	-64.61
O=C(C1=CC=NC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586494	0	29	-1.0	-53.88	268.52	2.30	-51.58
O=C(C1=CC=NC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586494	1	29	-1.0	-53.87	268.46	2.29	-51.58
CCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586495	0	35	-1.0	-50.54	295.72	2.15	-48.39
CCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586495	1	35	-1.0	-50.53	295.66	2.12	-48.41
O=C(C1OCCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586496	0	38	-1.0	-56.49	302.03	4.85	-51.64
O=C(C1OCCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586496	1	38	-1.0	-56.49	302.09	4.86	-51.63
CC1=CC(F)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586497	0	33	-1.0	-51.32	278.51	4.33	-46.99
CC1=CC(F)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586497	1	33	-1.0	-51.34	278.57	4.35	-46.99
CCC(SC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586498	0	33	-1.0	-51.93	280.61	3.35	-48.58
CCC(SC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586498	1	33	-1.0	-51.99	280.67	3.36	-48.63
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CC=C1	REAL250004586499	0	34	-1.0	-55.41	278.30	4.07	-51.34
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CC=C1	REAL250004586499	1	34	-1.0	-55.43	278.36	4.09	-51.34
O=C(C1CCN2C=NC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004586500	0	37	-1.0	-51.45	299.75	4.78	-46.67
O=C(C1CCN2C=NC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004586500	1	37	-1.0	-51.47	299.81	4.79	-46.68
CCN(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004586501	1	38	-1.0	-53.69	295.54	2.22	-51.47
CCN(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586501	1	38	-1.0	-53.72	295.60	2.24	-51.48
CC(C)C1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586502	0	35	-1.0	-52.64	300.77	2.72	-49.92
CC(C)C1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586502	1	35	-1.0	-52.68	300.83	2.74	-49.94
O=C(C1=CC2=NC=CN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586503	0	33	-1.0	-41.46	270.21	3.61	-37.85
O=C(C1=CC2=NC=CN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586503	1	33	-1.0	-41.49	270.28	3.62	-37.87
CC(=O)C(C)(C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586504	0	40	-1.0	-62.97	315.21	3.91	-59.06
CC(=O)C(C)(C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586504	1	40	-1.0	-62.92	315.27	3.93	-58.99
C=CC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586505	0	34	-1.0	-62.06	292.17	0.53	-61.53
C=CC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586505	1	34	-1.0	-62.09	292.23	0.56	-61.53
CC1(OCC(=O)N2CCCC2C2=N[N-]N=N2)CCC1	REAL250004586506	0	37	-1.0	-56.38	296.42	3.85	-52.53
CC1(OCC(=O)N2CCCC2C2=NN=N[N-]2)CCC1	REAL250004586506	1	37	-1.0	-56.38	296.48	3.87	-52.51
O=C(C1CCCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586507	0	34	-1.0	-56.98	268.64	2.81	-54.17
O=C(C1CCCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586507	1	34	-1.0	-56.99	268.70	2.84	-54.15
O=C(C1=CC(F)=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586508	0	30	-1.0	-38.71	262.30	3.26	-35.45
O=C(C1=CC(F)=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586508	1	30	-1.0	-38.71	262.36	3.26	-35.45
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586509	0	31	-1.0	-50.79	274.52	-1.12	-51.91
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586509	1	31	-1.0	-50.81	274.58	-1.09	-51.90
CC1=C2NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=CC=C1	REAL250004586510	0	37	-1.0	-53.24	304.76	4.72	-48.52
CC1=C2NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=CC=C1	REAL250004586510	1	37	-1.0	-53.24	304.70	4.71	-48.53
CCC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586511	0	40	-1.0	-62.63	323.09	3.00	-59.63
CCC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586511	1	40	-1.0	-62.61	323.14	3.02	-59.59
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC(=O)N1	REAL250004586512	0	33	-1.0	-49.34	281.29	1.38	-47.96
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC(=O)N1	REAL250004586512	1	33	-1.0	-49.35	281.35	1.40	-47.95
CC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004586513	0	31	-1.0	-52.91	267.48	-0.65	-53.56
CC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004586513	1	31	-1.0	-52.90	267.54	-0.62	-53.52
CC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586514	0	38	-1.0	-51.33	305.73	3.54	-47.79
CC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586514	1	38	-1.0	-51.33	305.79	3.56	-47.77
CC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1	REAL250004586515	0	42	-1.0	-51.76	343.48	6.80	-44.96
CC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1	REAL250004586515	1	42	-1.0	-51.78	343.54	6.83	-44.95
CC1(C)CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586516	0	45	-1.0	-52.48	333.14	5.82	-46.66
CC1(C)CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586516	1	45	-1.0	-52.49	333.20	5.85	-46.64
CC(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586517	0	35	-1.0	-39.24	284.39	3.46	-35.78
CC(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586517	1	35	-1.0	-39.61	284.91	3.42	-36.19
CCC(C)OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586518	0	36	-1.0	-55.73	294.93	3.56	-52.17
CCC(C)OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586518	1	36	-1.0	-55.77	294.99	3.59	-52.18
CC(C)C(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586519	0	36	-1.0	-55.23	288.16	1.33	-53.90
CC(C)C(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586519	1	36	-1.0	-55.24	288.22	1.36	-53.88
CC1=CC(Cl)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586520	0	33	-1.0	-48.31	288.43	4.82	-43.49
CC1=CC(Cl)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586520	1	33	-1.0	-48.31	288.49	4.84	-43.47
O=C(CC1COC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586522	0	33	-1.0	-54.18	276.43	2.90	-51.28
O=C(CC1COC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586522	1	33	-1.0	-54.19	276.49	2.93	-51.26
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC=N1	REAL250004586523	0	31	-1.0	-49.95	265.25	3.14	-46.81
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC=N1	REAL250004586523	1	31	-1.0	-49.97	265.31	3.17	-46.80
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1(O)CCC1	REAL250004586524	0	34	-1.0	-48.94	282.31	0.35	-48.59
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1(O)CCC1	REAL250004586524	1	34	-1.0	-48.93	282.37	0.37	-48.56
CC(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586525	0	42	-1.0	-53.72	336.49	6.60	-47.12
CC(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586525	1	42	-1.0	-53.71	336.55	6.63	-47.08
CCOC(=O)NCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586526	0	40	-1.0	-53.66	334.30	1.12	-52.54
CCOC(=O)NCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586526	1	40	-1.0	-53.69	334.36	1.15	-52.54
CC1(C)CCCCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586527	0	45	-1.0	-52.54	325.81	5.55	-46.99
CC1(C)CCCCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586527	1	45	-1.0	-52.56	325.86	5.58	-46.98
O=C(CC1CSCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004586528	0	35	-1.0	-54.57	301.61	4.52	-50.05
O=C(CC1CSCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004586528	1	35	-1.0	-54.60	301.67	4.54	-50.06
O=C(C1=CC2=C(C=CO2)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586529	0	31	-1.0	-54.92	263.99	2.14	-52.78
O=C(C1=CC2=C(C=CO2)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586529	1	31	-1.0	-54.95	263.93	2.12	-52.83
CCCC(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586530	0	36	-1.0	-55.37	292.98	1.59	-53.78
CCCC(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586530	1	36	-1.0	-55.36	293.04	1.61	-53.75
O=C(C1=CC2=CN=CN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586531	0	33	-1.0	-55.02	286.28	5.27	-49.75
O=C(C1=CC2=CN=CN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586531	1	33	-1.0	-55.04	286.34	5.28	-49.76
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CCSCC1	REAL250004586532	0	39	-1.0	-53.02	306.78	2.15	-50.87
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CCSCC1	REAL250004586532	1	39	-1.0	-53.03	306.84	2.17	-50.86
O=C(C1=C2CCCCN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586533	0	37	-1.0	-53.46	295.33	3.01	-50.45
O=C(C1=C2CCCCN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586533	1	37	-1.0	-53.44	295.39	3.03	-50.41
CC1=NC(Cl)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586534	0	32	-1.0	-52.18	283.68	2.86	-49.32
CC1=NC(Cl)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586534	1	32	-1.0	-52.20	283.75	2.88	-49.32
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL250004586535	0	32	-1.0	-52.84	277.65	2.94	-49.90
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL250004586535	1	32	-1.0	-52.82	277.71	2.96	-49.86
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL250004586536	0	32	-1.0	-52.13	275.00	1.99	-50.14
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL250004586536	1	32	-1.0	-52.18	275.06	2.01	-50.17
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004586537	0	29	-1.0	-49.30	258.18	2.21	-47.09
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004586537	1	29	-1.0	-49.31	258.23	2.23	-47.08
O=C(C1=C2NC=NC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586538	0	33	-1.0	-52.92	278.09	3.32	-49.60
O=C(C1=C2NC=NC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586538	1	33	-1.0	-52.88	278.03	3.31	-49.57
CCOC=C(C#N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586539	0	32	-1.0	-48.28	280.37	1.97	-46.31
CCOC=C(C#N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586539	1	32	-1.0	-48.33	280.43	2.00	-46.33
O=C(CCCN1C=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586540	0	37	-1.0	-56.01	307.93	5.35	-50.66
O=C(CCCN1C=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586540	1	37	-1.0	-56.01	307.98	5.37	-50.64
CCCC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004586541	0	43	-1.0	-54.96	324.59	3.77	-51.19
CCCC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004586541	1	43	-1.0	-54.98	324.64	3.80	-51.18
O=C(CCCC1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586542	0	36	-1.0	-53.63	312.12	5.18	-48.45
O=C(CCCC1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586542	1	36	-1.0	-53.63	312.17	5.21	-48.42
O=C(COCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586543	0	30	-1.0	-58.27	273.46	2.48	-55.79
O=C(COCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586543	1	30	-1.0	-58.25	273.52	2.51	-55.74
CCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004586544	0	32	-1.0	-51.27	274.00	0.83	-50.44
CCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004586544	1	32	-1.0	-51.29	274.06	0.85	-50.44
O=C(C1=NC2=NNN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586545	0	31	-1.0	-50.34	268.32	1.06	-49.28
O=C(C1=NC2=NNN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586545	1	31	-1.0	-50.33	268.38	1.09	-49.24
CC1=CC=NC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586546	0	36	-1.0	-53.25	300.96	3.91	-49.34
CC1=CC=NC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586546	1	36	-1.0	-53.29	301.02	3.93	-49.36
COC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586548	0	35	-1.0	-60.56	296.22	3.27	-57.29
COC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586548	1	35	-1.0	-60.60	296.27	3.29	-57.31
CN1N=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C21	REAL250004586549	0	34	-1.0	-43.11	290.24	0.81	-42.30
CN1N=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C21	REAL250004586549	1	34	-1.0	-43.03	290.17	0.81	-42.22
O=C(C1=CC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586550	0	29	-1.0	-49.71	254.96	2.83	-46.88
O=C(C1=CC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586550	1	29	-1.0	-49.66	254.90	2.81	-46.85
O=C(C1=CC=NC(C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586551	0	36	-1.0	-40.42	288.86	3.35	-37.07
O=C(C1=CC=NC(C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586551	1	36	-1.0	-40.42	288.93	3.35	-37.07
CO[C@@H](C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586552	0	37	-1.0	-58.65	301.39	4.34	-54.31
CO[C@@H](C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586552	1	37	-1.0	-58.64	301.45	4.36	-54.28
CC1=NSC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586553	0	29	-1.0	-48.23	253.65	1.90	-46.33
CC1=NSC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586553	1	29	-1.0	-48.27	253.71	1.91	-46.36
O=C(C1=CC2=NNN=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586554	0	31	-1.0	-44.07	260.00	-0.53	-44.60
O=C(C1=CC2=NNN=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586554	1	31	-1.0	-44.09	260.06	-0.55	-44.64
O=C(C1CCCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004586555	0	34	-1.0	-51.80	281.39	3.91	-47.89
O=C(C1CCCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004586555	1	34	-1.0	-51.78	281.45	3.94	-47.84
O=C(CN1C=NC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586556	0	36	-1.0	-58.60	306.95	5.70	-52.90
O=C(CN1C=NC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586556	1	36	-1.0	-58.62	307.00	5.71	-52.91
O=C(CC(=O)N1CCCC1C1=N[N-]N=N1)NC1CC1	REAL250004586557	0	34	-1.0	-65.02	286.90	2.42	-62.60
O=C(CC(=O)N1CCCC1C1=NN=N[N-]1)NC1CC1	REAL250004586557	1	34	-1.0	-65.03	286.96	2.44	-62.59
C#CCNC(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586558	0	32	-1.0	-63.95	282.61	2.08	-61.87
C#CCNC(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586558	1	32	-1.0	-63.94	282.66	2.10	-61.84
CC1OCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586559	0	34	-1.0	-50.99	271.23	1.60	-49.39
CC1OCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586559	1	34	-1.0	-51.03	271.29	1.63	-49.40
CCC(C)CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586560	0	44	-1.0	-51.92	341.10	5.95	-45.97
CCC(C)CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586560	1	44	-1.0	-51.92	341.16	5.97	-45.95
O=C(CCCCC1=NNN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586561	0	38	-1.0	-54.03	317.45	2.10	-51.93
O=C(CCCCC1=NNN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586561	1	38	-1.0	-54.03	317.51	2.13	-51.90
CC1=CC(C)=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL250004586562	0	42	-1.0	-53.56	334.83	6.34	-47.22
CC1=CC(C)=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL250004586562	1	42	-1.0	-53.59	334.88	6.36	-47.23
COCCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586563	0	37	-1.0	-57.95	309.06	1.90	-56.05
COCCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586563	1	37	-1.0	-57.91	309.12	1.93	-55.98
CCCCCC(CC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586564	0	44	-1.0	-52.26	334.82	5.65	-46.61
CCCCCC(CC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586564	1	44	-1.0	-52.29	334.88	5.67	-46.62
CC1=CC=C(CC(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586565	0	42	-1.0	-51.76	335.14	6.42	-45.34
CC1=CC=C(CC(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586565	1	42	-1.0	-51.76	335.20	6.44	-45.32
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC2=CN=CN21	REAL250004586566	0	36	-1.0	-50.37	302.24	5.66	-44.71
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004586566	1	36	-1.0	-50.39	302.28	5.68	-44.71
O=C(C1=NN(C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586567	0	30	-1.0	-52.83	270.63	2.20	-50.63
O=C(C1=NN(C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586567	1	30	-1.0	-52.82	270.57	2.17	-50.65
C=CCCOCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586568	0	43	-1.0	-51.72	352.15	4.63	-47.09
C=CCCOCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586568	1	43	-1.0	-51.69	352.20	4.65	-47.04
CC(C)(C)OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586569	0	36	-1.0	-55.68	288.19	3.16	-52.52
CC(C)(C)OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586569	1	36	-1.0	-55.71	288.25	3.18	-52.53
N#CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004586570	0	29	-1.0	-56.67	257.95	1.75	-54.92
N#CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004586570	1	29	-1.0	-56.64	258.01	1.78	-54.86
COCCCC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586571	0	39	-1.0	-51.48	313.33	2.72	-48.76
COCCCC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586571	1	39	-1.0	-51.49	313.39	2.74	-48.75
O=C(C(F)CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586572	0	36	-1.0	-53.93	305.33	5.43	-48.50
O=C(C(F)CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586572	1	36	-1.0	-54.00	305.39	5.45	-48.55
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1O	REAL250004586574	0	37	-1.0	-56.70	310.35	2.57	-54.13
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1O	REAL250004586574	1	37	-1.0	-56.70	310.41	2.59	-54.11
CN1N=NN=C1SCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586575	0	32	-1.0	-49.96	292.60	1.30	-48.66
CN1N=NN=C1SCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586575	1	32	-1.0	-49.95	292.54	1.28	-48.67
CCC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586576	0	35	-1.0	-54.71	291.47	4.16	-50.55
CCC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586576	1	35	-1.0	-54.69	291.52	4.19	-50.50
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1CC	REAL250004586577	0	42	-1.0	-42.81	328.20	5.79	-37.02
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1CC	REAL250004586577	1	42	-1.0	-42.81	328.27	5.80	-37.01
CC1=CC=CC(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586578	0	39	-1.0	-53.23	313.42	5.68	-47.55
CC1=CC=CC(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586578	1	39	-1.0	-53.27	313.47	5.71	-47.56
N#CCC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586579	0	37	-1.0	-51.00	315.76	5.54	-45.46
N#CCC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586579	1	37	-1.0	-50.99	315.82	5.57	-45.42
COC1=NC(C)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586580	0	36	-1.0	-56.46	300.15	1.97	-54.49
COC1=NC(C)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586580	1	36	-1.0	-56.45	300.21	1.99	-54.46
O=C(C=C1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586581	0	35	-1.0	-50.58	289.37	4.39	-46.19
O=C(C=C1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586581	1	35	-1.0	-50.60	289.43	4.42	-46.18
CCCC(CCC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586582	0	44	-1.0	-52.70	332.85	5.74	-46.96
CCCC(CCC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586582	1	44	-1.0	-52.73	332.91	5.77	-46.96
O=C(CCCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586583	0	32	-1.0	-54.45	280.39	3.62	-50.83
O=C(CCCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586583	1	32	-1.0	-54.47	280.44	3.65	-50.82
CCCC(=CC(=O)N1CCCC1C1=N[N-]N=N1)CCC	REAL250004586584	0	42	-1.0	-50.96	331.20	5.98	-44.98
CCCC(=CC(=O)N1CCCC1C1=NN=N[N-]1)CCC	REAL250004586584	1	42	-1.0	-50.92	331.25	6.01	-44.91
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1O	REAL250004586585	0	34	-1.0	-39.61	275.12	0.94	-38.67
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1O	REAL250004586585	1	34	-1.0	-39.60	275.19	0.94	-38.66
O=C(C1=CC=C2C=CNC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586586	0	33	-1.0	-56.38	279.74	3.82	-52.56
O=C(C1=CC=C2C=CNC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586586	1	33	-1.0	-56.40	279.68	3.79	-52.61
CC1=CC(O)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586587	0	34	-1.0	-53.04	283.19	1.36	-51.68
CC1=CC(O)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586587	1	34	-1.0	-53.08	283.25	1.37	-51.71
CN1C=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C21	REAL250004586588	0	35	-1.0	-50.21	288.61	3.45	-46.76
CN1C=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C21	REAL250004586588	1	35	-1.0	-50.17	288.55	3.45	-46.72
CSC(C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586589	0	36	-1.0	-50.52	301.70	4.22	-46.30
CSC(C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586589	1	36	-1.0	-50.51	301.76	4.24	-46.27
O=C(C1=CC=C2C=CC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004586590	0	33	-1.0	-66.39	278.19	3.41	-62.98
O=C(C1=CC=C2C=CC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004586590	1	33	-1.0	-66.39	278.14	3.38	-63.01
O=C(C1=CC=C(O)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586591	0	31	-1.0	-43.41	260.64	0.31	-43.10
O=C(C1=CC=C(O)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586591	1	31	-1.0	-43.43	260.70	0.31	-43.12
CC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL250004586592	0	34	-1.0	-48.38	281.75	2.10	-46.28
CC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL250004586592	1	34	-1.0	-48.39	281.81	2.12	-46.27
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(=O)N1	REAL250004586593	0	36	-1.0	-58.18	307.00	2.07	-56.11
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(=O)N1	REAL250004586593	1	36	-1.0	-58.20	307.06	2.08	-56.12
CCC1=NN(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586594	0	36	-1.0	-56.21	294.60	2.69	-53.52
CCC1=NN(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586594	1	36	-1.0	-56.23	294.66	2.71	-53.52
O=C(C1=CC2=C(CCC2)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586595	0	35	-1.0	-55.20	283.06	3.80	-51.40
O=C(C1=CC2=C(CCC2)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586595	1	35	-1.0	-55.18	283.12	3.81	-51.37
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C(C)C	REAL250004586596	0	39	-1.0	-52.63	314.32	3.41	-49.22
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C(C)C	REAL250004586596	1	39	-1.0	-52.64	314.38	3.42	-49.22
CC1=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1	REAL250004586597	0	40	-1.0	-53.70	331.00	6.47	-47.23
CC1=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1	REAL250004586597	1	40	-1.0	-53.73	331.06	6.48	-47.25
COC(=O)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586598	0	32	-1.0	-47.05	287.57	1.90	-45.15
COC(=O)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586598	1	32	-1.0	-47.01	287.52	1.87	-45.14
COCC(=O)N(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586599	0	37	-1.0	-57.61	310.15	1.91	-55.70
COCC(=O)N(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586599	1	37	-1.0	-57.62	310.20	1.93	-55.69
O=C(C1SCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004586600	0	29	-1.0	-53.06	260.29	3.08	-49.98
O=C(C1SCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004586600	1	29	-1.0	-53.07	260.34	3.10	-49.97
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N=N1	REAL250004586601	0	34	-1.0	-49.39	281.68	1.97	-47.42
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N=N1	REAL250004586601	1	34	-1.0	-49.37	281.73	1.98	-47.39
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL250004586602	0	34	-1.0	-59.72	287.50	2.98	-56.74
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL250004586602	1	34	-1.0	-59.75	287.56	3.00	-56.75
O=C(C1=CNC2=NC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586603	0	32	-1.0	-48.32	265.42	1.90	-46.42
O=C(C1=CNC2=NC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586603	1	32	-1.0	-48.33	265.35	1.90	-46.43
CC1=CN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586604	0	32	-1.0	-53.40	285.95	2.57	-50.83
CC1=CN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586604	1	32	-1.0	-53.38	286.00	2.59	-50.79
CC1(C)CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586605	0	42	-1.0	-53.72	310.04	4.80	-48.92
CC1(C)CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586605	1	42	-1.0	-53.75	310.10	4.83	-48.92
O=C(C1=CC=CC(F)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586606	0	29	-1.0	-51.26	254.97	2.71	-48.55
O=C(C1=CC=CC(F)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586606	1	29	-1.0	-51.28	254.91	2.68	-48.60
CC(=O)CCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586607	0	43	-1.0	-54.96	349.89	5.48	-49.48
CC(=O)CCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586607	1	43	-1.0	-54.94	349.95	5.51	-49.43
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586608	0	37	-1.0	-58.65	301.37	4.35	-54.30
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586608	1	37	-1.0	-58.65	301.43	4.37	-54.28
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(=O)N1	REAL250004586609	0	33	-1.0	-59.63	285.59	1.34	-58.29
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(=O)N1	REAL250004586609	1	33	-1.0	-59.61	285.64	1.36	-58.25
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586610	0	32	-1.0	-49.43	288.69	2.20	-47.23
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586610	1	32	-1.0	-49.43	288.64	2.19	-47.24
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=NC=N1	REAL250004586611	0	32	-1.0	-57.52	272.71	3.56	-53.96
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=NC=N1	REAL250004586611	1	32	-1.0	-57.51	272.65	3.55	-53.96
CC1=C(C#N)C(CC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586612	0	33	-1.0	-55.58	297.53	3.27	-52.31
CC1=C(C#N)C(CC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586612	1	33	-1.0	-55.57	297.59	3.30	-52.27
O=C(C1CCC2=NNC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004586613	0	37	-1.0	-53.90	294.16	2.44	-51.46
O=C(C1CCC2=NNC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004586613	1	37	-1.0	-53.91	294.22	2.47	-51.44
O=C(CCC1=CN=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586614	0	35	-1.0	-50.35	301.97	3.79	-46.56
O=C(CCC1=CN=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586614	1	35	-1.0	-50.39	301.91	3.76	-46.63
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586615	0	30	-1.0	-47.27	273.92	4.16	-43.11
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586615	1	30	-1.0	-47.25	273.98	4.18	-43.07
COC(=O)N[C@@H](C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586616	0	34	-1.0	-50.20	287.90	-0.59	-50.79
COC(=O)N[C@@H](C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586616	1	34	-1.0	-50.17	287.96	-0.57	-50.74
N#CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586617	0	34	-1.0	-60.72	293.54	4.76	-55.96
N#CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586617	1	34	-1.0	-60.72	293.59	4.77	-55.95
CC(C)(C)SCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586618	0	42	-1.0	-54.73	341.82	5.68	-49.05
CC(C)(C)SCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586618	1	42	-1.0	-54.75	341.88	5.70	-49.05
C=C(C)C(CC(=O)N1CCCC1C1=N[N-]N=N1)OCC	REAL250004586619	0	40	-1.0	-52.36	327.23	4.42	-47.94
C=C(C)C(CC(=O)N1CCCC1C1=NN=N[N-]1)OCC	REAL250004586619	1	40	-1.0	-52.36	327.28	4.45	-47.91
CC(O)(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004586620	0	37	-1.0	-53.97	291.27	2.09	-51.88
CC(O)(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586620	1	37	-1.0	-54.01	291.33	2.12	-51.89
CCC(CC)C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586621	0	41	-1.0	-51.55	304.94	4.59	-46.96
CCC(CC)C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586621	1	41	-1.0	-51.56	304.99	4.61	-46.95
CC1=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL250004586622	0	39	-1.0	-52.82	320.91	3.66	-49.16
CC1=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL250004586622	1	39	-1.0	-52.83	320.97	3.69	-49.14
COC1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586623	0	43	-1.0	-54.00	331.51	3.93	-50.07
COC1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586623	1	43	-1.0	-54.02	331.57	3.96	-50.06
CC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004586624	0	37	-1.0	-54.81	288.38	2.29	-52.52
CC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004586624	1	37	-1.0	-54.77	288.44	2.31	-52.46
CC1=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL250004586625	0	37	-1.0	-56.01	309.97	3.42	-52.59
CC1=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL250004586625	1	37	-1.0	-56.00	310.03	3.44	-52.56
O=C(C1=CC=C(O)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586626	0	31	-1.0	-51.72	267.91	0.77	-50.95
O=C(C1=CC=C(O)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586626	1	31	-1.0	-51.70	267.97	0.80	-50.90
CNC1=NN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586627	0	33	-1.0	-60.68	297.07	0.92	-59.76
CNC1=NN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586627	1	33	-1.0	-60.64	297.13	0.94	-59.70
CCC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586628	0	37	-1.0	-52.81	314.16	4.94	-47.87
CCC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586628	1	37	-1.0	-52.81	314.21	4.97	-47.84
CC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586629	0	36	-1.0	-52.35	305.09	4.76	-47.59
CC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586629	1	36	-1.0	-52.35	305.15	4.77	-47.58
CN(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586630	0	37	-1.0	-55.79	301.11	3.17	-52.62
CN(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586630	1	37	-1.0	-55.76	301.05	3.14	-52.62
CN1CCN(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL250004586631	0	39	-1.0	-64.30	311.04	0.03	-64.27
CN1CCN(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL250004586631	1	39	-1.0	-64.30	311.09	0.06	-64.24
O=C(C1=NC=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004586632	0	30	-1.0	-55.55	257.38	1.29	-54.26
O=C(C1=NC=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004586632	1	30	-1.0	-55.52	257.44	1.31	-54.21
O=C(C1=C2SC=CC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586633	0	33	-1.0	-56.26	288.61	4.99	-51.27
O=C(C1=C2SC=CC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586633	1	33	-1.0	-56.26	288.55	4.97	-51.29
O=C(C1CC12CCOC2)N1CCCC1C1=N[N-]N=N1	REAL250004586634	0	35	-1.0	-51.38	281.98	2.37	-49.01
O=C(C1CC12CCOC2)N1CCCC1C1=NN=N[N-]1	REAL250004586634	1	35	-1.0	-51.35	282.03	2.40	-48.95
CN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004586635	0	32	-1.0	-52.97	264.43	0.36	-52.61
CN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004586635	1	32	-1.0	-52.96	264.38	0.35	-52.61
CCCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004586636	0	35	-1.0	-50.82	295.50	1.60	-49.22
CCCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004586636	1	35	-1.0	-50.86	295.56	1.62	-49.24
O=C(C1=COC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586637	0	33	-1.0	-51.04	283.99	1.64	-49.40
O=C(C1=COC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586637	1	33	-1.0	-51.05	284.05	1.67	-49.38
O=C(C1=CSC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586638	0	27	-1.0	-45.76	247.89	0.05	-45.71
O=C(C1=CSC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586638	1	27	-1.0	-45.76	247.95	0.06	-45.70
CC(C)(O)C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586639	0	33	-1.0	-42.77	271.80	1.04	-41.73
CC(C)(O)C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586639	1	33	-1.0	-42.79	271.86	1.07	-41.72
CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL250004586640	0	33	-1.0	-54.86	278.79	1.92	-52.94
CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL250004586640	1	33	-1.0	-54.88	278.85	1.95	-52.93
O=C(C1=C2C=CC=NN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586641	0	32	-1.0	-58.48	276.25	1.64	-56.84
O=C(C1=C2C=CC=NN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586641	1	32	-1.0	-58.51	276.19	1.63	-56.88
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC(C2CC2)=N1	REAL250004586642	0	36	-1.0	-50.25	301.95	1.78	-48.47
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC(C2CC2)=N1	REAL250004586642	1	36	-1.0	-50.29	302.01	1.81	-48.48
O=C(CC1=CC=C2COCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586643	0	38	-1.0	-53.82	315.21	3.97	-49.85
O=C(CC1=CC=C2COCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586643	1	38	-1.0	-53.81	315.27	3.99	-49.82
CC(CCC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586644	0	44	-1.0	-52.61	334.89	5.34	-47.27
CC(CCC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586644	1	44	-1.0	-52.60	334.95	5.36	-47.24
O=C(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004586645	0	32	-1.0	-44.79	278.83	3.87	-40.92
O=C(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004586645	1	32	-1.0	-44.80	278.89	3.90	-40.90
CC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1C	REAL250004586646	0	37	-1.0	-52.90	298.34	2.63	-50.27
CC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1C	REAL250004586646	1	37	-1.0	-52.94	298.40	2.65	-50.29
CN1N=NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL250004586647	0	35	-1.0	-42.88	287.32	1.59	-41.29
CN1N=NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL250004586647	1	35	-1.0	-42.82	287.25	1.61	-41.21
CC1(C)CC(CC(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004586648	0	43	-1.0	-52.32	324.86	3.71	-48.61
CC1(C)CC(CC(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004586648	1	43	-1.0	-52.34	324.92	3.73	-48.61
CC1CCN(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586649	0	40	-1.0	-45.61	311.31	2.97	-42.64
CC1CCN(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586649	1	40	-1.0	-45.59	311.37	3.00	-42.59
CC1CCCN(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586650	0	40	-1.0	-46.11	310.98	2.85	-43.26
CC1CCCN(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586650	1	40	-1.0	-46.13	311.04	2.88	-43.25
NC(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586651	0	33	-1.0	-51.86	282.84	-0.41	-52.27
NC(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586651	1	33	-1.0	-51.81	282.78	-0.44	-52.25
COC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586652	0	30	-1.0	-46.25	263.42	-0.69	-46.94
COC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586652	1	30	-1.0	-46.27	263.37	-0.71	-46.98
CCOC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004586653	0	33	-1.0	-49.49	285.37	-0.38	-49.87
CCOC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004586653	1	33	-1.0	-49.47	285.31	-0.41	-49.88
CCC1=NN=C(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586654	0	37	-1.0	-49.41	302.84	2.66	-46.75
CCC1=NN=C(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586654	1	37	-1.0	-49.43	302.89	2.67	-46.76
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N=N1	REAL250004586655	0	37	-1.0	-47.72	303.78	2.82	-44.90
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N=N1	REAL250004586655	1	37	-1.0	-47.77	303.84	2.83	-44.94
NC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004586656	0	31	-1.0	-51.96	271.34	-1.53	-53.49
NC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004586656	1	31	-1.0	-51.93	271.40	-1.52	-53.45
N#CC1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL250004586657	0	38	-1.0	-56.62	314.90	5.15	-51.47
N#CC1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL250004586657	1	38	-1.0	-56.63	314.96	5.18	-51.45
CCC1CC(CC(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004586658	0	43	-1.0	-52.19	332.12	4.14	-48.05
CCC1CC(CC(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004586658	1	43	-1.0	-52.18	332.17	4.16	-48.02
O=C(C=CC1=CC=C(O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586659	0	35	-1.0	-54.57	299.20	2.32	-52.25
O=C(C=CC1=CC=C(O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586659	1	35	-1.0	-54.55	299.25	2.34	-52.21
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1O	REAL250004586660	0	35	-1.0	-53.75	290.92	0.69	-53.06
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1O	REAL250004586660	1	35	-1.0	-53.77	290.98	0.72	-53.05
O=C(CC1=CC=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586661	0	34	-1.0	-54.55	290.28	1.81	-52.74
O=C(CC1=CC=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586661	1	34	-1.0	-54.54	290.33	1.84	-52.70
O=C(CCC1=CC=C(O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586662	0	37	-1.0	-52.14	311.74	2.61	-49.53
O=C(CCC1=CC=C(O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586662	1	37	-1.0	-52.10	311.80	2.64	-49.46
O=C(C1=CC=CC2=NNN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586663	0	32	-1.0	-44.47	265.94	0.40	-44.07
O=C(C1=CC=CC2=NNN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586663	1	32	-1.0	-44.47	265.87	0.42	-44.05
CCNC(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586665	0	33	-1.0	-64.90	276.83	1.58	-63.32
CCNC(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586665	1	33	-1.0	-64.92	276.89	1.60	-63.32
CNC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586666	0	36	-1.0	-65.27	300.34	0.78	-64.49
CNC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586666	1	36	-1.0	-65.26	300.39	0.80	-64.46
O=C(C1=CC(=O)NC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586667	0	30	-1.0	-52.47	280.91	1.15	-51.32
O=C(C1=CC(=O)NC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586667	1	30	-1.0	-52.50	280.97	1.17	-51.33
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004586668	0	36	-1.0	-57.09	297.92	3.17	-53.92
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004586668	1	36	-1.0	-57.05	297.97	3.20	-53.85
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586669	0	33	-1.0	-56.18	281.86	1.08	-55.10
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586669	1	33	-1.0	-56.17	281.80	1.05	-55.12
C#CCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586670	0	37	-1.0	-54.25	311.09	5.30	-48.95
C#CCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586670	1	37	-1.0	-54.29	311.15	5.33	-48.96
CC1CC(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586671	0	42	-1.0	-53.08	322.28	5.30	-47.78
CC1CC(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586671	1	42	-1.0	-53.09	322.33	5.32	-47.77
CC1(C)CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586672	0	39	-1.0	-53.50	300.35	4.50	-49.00
CC1(C)CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586672	1	39	-1.0	-53.54	300.41	4.53	-49.01
CCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586673	0	36	-1.0	-57.09	297.46	2.97	-54.12
CCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586673	1	36	-1.0	-57.11	297.40	2.96	-54.15
COC(C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586674	0	36	-1.0	-51.13	293.94	2.30	-48.83
COC(C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586674	1	36	-1.0	-51.15	293.99	2.31	-48.84
C[C@H](C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586675	0	36	-1.0	-55.17	290.85	4.88	-50.29
C[C@H](C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586675	1	36	-1.0	-55.18	290.91	4.91	-50.27
C[C@@H](C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586676	0	36	-1.0	-55.50	295.14	5.06	-50.44
C[C@@H](C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586676	1	36	-1.0	-55.47	295.19	5.08	-50.39
CCC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004586677	0	40	-1.0	-54.60	309.15	3.11	-51.49
CCC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004586677	1	40	-1.0	-54.57	309.21	3.14	-51.43
CC(C)CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586678	0	39	-1.0	-53.40	317.13	3.74	-49.66
CC(C)CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586678	1	39	-1.0	-53.40	317.08	3.72	-49.68
CCC(C)C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586679	0	38	-1.0	-52.26	286.67	3.87	-48.39
CCC(C)C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586679	1	38	-1.0	-52.29	286.72	3.90	-48.39
CC(C)OCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586680	0	39	-1.0	-54.87	316.61	3.22	-51.65
CC(C)OCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586680	1	39	-1.0	-54.88	316.67	3.25	-51.63
O=C(C1CCCCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL250004586681	0	36	-1.0	-72.31	297.15	0.96	-71.35
O=C(C1CCCCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL250004586681	1	36	-1.0	-72.31	297.20	0.99	-71.32
O=C(NCC(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586682	0	30	-1.0	-49.05	267.92	-0.32	-49.37
O=C(NCC(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586682	1	30	-1.0	-49.06	267.98	-0.29	-49.35
O=C(C1=NN2CCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586683	0	35	-1.0	-56.35	290.42	1.05	-55.30
O=C(C1=NN2CCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586683	1	35	-1.0	-56.34	290.36	1.02	-55.32
O=C(C1CC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004586684	0	37	-1.0	-52.49	297.18	5.56	-46.93
O=C(C1CC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004586684	1	37	-1.0	-52.45	297.23	5.59	-46.86
COC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCC1	REAL250004586685	0	37	-1.0	-56.10	292.70	2.56	-53.54
COC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCC1	REAL250004586685	1	37	-1.0	-56.09	292.76	2.59	-53.50
CC1OCCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586686	0	37	-1.0	-55.70	285.10	3.45	-52.25
CC1OCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586686	1	37	-1.0	-55.69	285.16	3.46	-52.23
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)CCCO1	REAL250004586687	0	38	-1.0	-50.95	302.08	4.06	-46.89
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)CCCO1	REAL250004586687	1	38	-1.0	-50.97	302.14	4.08	-46.89
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL250004586688	0	29	-1.0	-63.36	255.54	2.64	-60.72
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL250004586688	1	29	-1.0	-63.39	255.60	2.66	-60.73
CC1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL250004586689	0	30	-1.0	-54.36	275.12	3.60	-50.76
CC1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL250004586689	1	30	-1.0	-54.36	275.18	3.63	-50.73
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586690	0	40	-1.0	-53.51	316.43	6.15	-47.36
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586690	1	40	-1.0	-53.55	316.49	6.16	-47.39
O=C(CCC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586691	0	35	-1.0	-52.02	294.82	3.70	-48.32
O=C(CCC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586691	1	35	-1.0	-52.00	294.88	3.73	-48.27
O=C(C1=CC(Cl)=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586692	0	27	-1.0	-52.04	258.41	3.00	-49.04
O=C(C1=CC(Cl)=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586692	1	27	-1.0	-52.08	258.47	3.03	-49.05
O=C(CCC1=CC=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586693	0	34	-1.0	-50.42	289.80	3.50	-46.92
O=C(CCC1=CC=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586693	1	34	-1.0	-50.44	289.86	3.52	-46.92
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(Cl)S1	REAL250004586694	0	29	-1.0	-49.03	272.83	2.77	-46.26
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(Cl)S1	REAL250004586694	1	29	-1.0	-49.06	272.76	2.75	-46.31
CC1=CN2C=CN=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=N1	REAL250004586696	0	35	-1.0	-67.50	297.13	4.06	-63.44
CC1=CN2C=CN=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=N1	REAL250004586696	1	35	-1.0	-67.49	297.07	4.04	-63.45
CCC(C(=O)OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586697	0	35	-1.0	-53.42	293.29	2.89	-50.53
CCC(C(=O)OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586697	1	35	-1.0	-53.42	293.34	2.91	-50.51
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL250004586698	0	37	-1.0	-41.56	296.85	3.05	-38.51
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL250004586698	1	37	-1.0	-41.54	296.91	3.06	-38.48
O=C(C1=CN=CC(Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586699	0	28	-1.0	-47.64	260.24	1.28	-46.36
O=C(C1=CN=CC(Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586699	1	28	-1.0	-47.64	260.18	1.26	-46.38
O=C(C1=CSC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586700	0	27	-1.0	-50.18	257.86	3.11	-47.07
O=C(C1=CSC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586700	1	27	-1.0	-50.17	257.92	3.13	-47.04
COC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586701	0	40	-1.0	-51.56	308.53	2.91	-48.65
COC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586701	1	40	-1.0	-51.59	308.59	2.94	-48.65
O=C(C1=CNC=C(F)C1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586702	0	30	-1.0	-70.20	270.33	1.60	-68.60
O=C(C1=CNC=C(F)C1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586702	1	30	-1.0	-70.19	270.39	1.61	-68.58
O=C(CCN1C=CN=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586703	0	32	-1.0	-52.61	275.54	1.44	-51.17
O=C(CCN1C=CN=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586703	1	32	-1.0	-52.63	275.48	1.42	-51.21
O=C(CC1OCCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586704	0	35	-1.0	-54.40	284.56	2.06	-52.34
O=C(CC1OCCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586704	1	35	-1.0	-54.38	284.62	2.09	-52.29
O=C(CC1OCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004586705	0	32	-1.0	-53.76	266.38	1.12	-52.64
O=C(CC1OCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004586705	1	32	-1.0	-53.79	266.44	1.15	-52.64
CCN1C=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586706	0	36	-1.0	-57.78	303.67	3.35	-54.43
CCN1C=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586706	1	36	-1.0	-57.79	303.62	3.34	-54.45
CC(C)N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586707	0	36	-1.0	-56.56	294.60	2.72	-53.84
CC(C)N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586707	1	36	-1.0	-56.56	294.55	2.71	-53.85
NC(=O)C1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586708	0	40	-1.0	-67.25	311.82	0.58	-66.67
NC(=O)C1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586708	1	40	-1.0	-67.23	311.87	0.60	-66.63
CCC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586709	0	39	-1.0	-52.58	314.92	5.80	-46.78
CCC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586709	1	39	-1.0	-52.58	314.98	5.83	-46.75
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004586710	0	41	-1.0	-60.18	307.70	5.45	-54.73
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004586710	1	41	-1.0	-60.22	307.76	5.47	-54.75
COC1=CC(C)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586711	0	37	-1.0	-46.00	293.85	4.30	-41.70
COC1=CC(C)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586711	1	37	-1.0	-45.97	293.91	4.31	-41.66
O=C(C=CC1=CC=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004586712	0	32	-1.0	-55.35	273.23	3.05	-52.30
O=C(C=CC1=CC=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004586712	1	32	-1.0	-55.37	273.29	3.07	-52.30
O=C(C1=CC=NC(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586713	0	29	-1.0	-54.80	258.50	1.80	-53.00
O=C(C1=CC=NC(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586713	1	29	-1.0	-54.80	258.44	1.78	-53.02
O=C(CCC1=CNC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586714	0	33	-1.0	-57.01	279.98	3.01	-54.00
O=C(CCC1=CNC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586714	1	33	-1.0	-57.04	280.03	3.04	-54.00
O=C(CCC1=CN=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004586714	1	33	-1.0	-52.01	280.01	2.99	-49.02
O=C(C=CC1=CNC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586715	0	31	-1.0	-57.73	269.98	2.89	-54.84
O=C(C=CC1=CNC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586715	1	31	-1.0	-57.71	270.04	2.91	-54.80
CC(=O)CC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586716	0	40	-1.0	-59.15	307.75	4.18	-54.97
CC(=O)CC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586716	1	40	-1.0	-59.19	307.81	4.20	-54.99
CC(=O)N1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586717	0	34	-1.0	-55.02	285.51	1.37	-53.65
CC(=O)N1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586717	1	34	-1.0	-55.03	285.56	1.39	-53.64
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1O	REAL250004586718	0	32	-1.0	-49.58	282.51	1.16	-48.42
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1O	REAL250004586718	1	32	-1.0	-49.57	282.57	1.18	-48.39
O=C(NCC1CC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586719	0	34	-1.0	-45.43	286.68	0.92	-44.51
O=C(NCC1CC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586719	1	34	-1.0	-45.48	286.74	0.93	-44.55
COCCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586720	0	37	-1.0	-52.87	304.77	1.31	-51.56
COCCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586720	1	37	-1.0	-52.86	304.71	1.30	-51.56
CC[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586721	0	42	-1.0	-51.86	320.04	5.38	-46.48
CC[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586721	1	42	-1.0	-51.87	320.10	5.40	-46.47
CC(C)C1(C)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586722	0	39	-1.0	-52.59	302.92	4.64	-47.95
CC(C)C1(C)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586722	1	39	-1.0	-52.61	302.98	4.67	-47.94
COCCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586723	0	37	-1.0	-55.59	312.28	1.90	-53.69
COCCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586723	1	37	-1.0	-55.62	312.22	1.88	-53.74
O=C(CC1=CN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586724	0	29	-1.0	-52.79	264.04	1.94	-50.85
O=C(CC1=CN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586724	1	29	-1.0	-52.81	263.98	1.93	-50.88
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004586725	0	34	-1.0	-56.02	280.94	0.31	-55.71
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004586725	1	34	-1.0	-56.06	280.89	0.28	-55.78
CNC(=O)CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586726	0	39	-1.0	-54.92	321.92	1.56	-53.36
CNC(=O)CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586726	1	39	-1.0	-54.89	321.98	1.58	-53.31
O=C(C(O)C1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586727	0	40	-1.0	-51.64	303.44	2.70	-48.94
O=C(C(O)C1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586727	1	40	-1.0	-51.67	303.50	2.72	-48.95
O=C(C1=C2C=NC=CN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586728	0	32	-1.0	-54.93	275.66	1.57	-53.36
O=C(C1=C2C=NC=CN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586728	1	32	-1.0	-54.92	275.60	1.54	-53.38
CC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL250004586729	0	34	-1.0	-51.93	272.17	1.63	-50.30
CC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL250004586729	1	34	-1.0	-51.94	272.23	1.65	-50.29
O=C(CC1=CC2=NNC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586730	0	36	-1.0	-63.77	305.52	3.39	-60.38
O=C(CC1=CC2=NNC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586730	1	36	-1.0	-63.77	305.57	3.41	-60.36
CN1C=NC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586731	0	36	-1.0	-54.35	301.18	4.59	-49.76
CN1C=NC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586731	1	36	-1.0	-54.37	301.23	4.62	-49.75
CC1OC(=O)NC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586732	0	32	-1.0	-55.97	268.20	-1.23	-57.20
CC1OC(=O)NC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586732	1	32	-1.0	-55.96	268.25	-1.21	-57.17
CCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586733	0	33	-1.0	-50.96	271.09	2.26	-48.70
CCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586733	1	33	-1.0	-50.95	271.04	2.25	-48.70
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586734	0	32	-1.0	-45.42	280.75	3.12	-42.30
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586734	1	32	-1.0	-45.36	280.70	3.11	-42.25
O=C(C1=CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586735	0	37	-1.0	-39.86	275.24	3.85	-36.01
O=C(C1=CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586735	1	37	-1.0	-39.86	275.32	3.85	-36.01
O=C(C1=C(O)C=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586736	1	31	-1.0	-58.19	275.79	1.08	-57.11
O=C(C1=C(O)C=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586736	1	31	-1.0	-58.19	275.85	1.11	-57.08
CC1=CN=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586737	0	35	-1.0	-53.50	295.54	3.53	-49.97
CC1=CN=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586737	1	35	-1.0	-53.51	295.60	3.55	-49.96
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N(C)C=C1	REAL250004586738	0	34	-1.0	-51.69	287.27	3.97	-47.72
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N(C)C=C1	REAL250004586738	1	34	-1.0	-51.70	287.22	3.95	-47.75
CN1N=C2C=CC=CC2=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586739	0	36	-1.0	-54.44	307.27	3.82	-50.62
CN1N=C2C=CC=CC2=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586739	1	36	-1.0	-54.48	307.22	3.80	-50.68
CN1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004586740	0	34	-1.0	-56.20	273.80	1.46	-54.74
CN1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004586740	1	34	-1.0	-56.19	273.85	1.49	-54.70
CC1(C)CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586741	0	39	-1.0	-53.57	292.60	4.29	-49.28
CC1(C)CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586741	1	39	-1.0	-53.60	292.66	4.30	-49.30
CCOC1CC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586742	0	40	-1.0	-56.13	322.29	3.70	-52.43
CCOC1CC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586742	1	40	-1.0	-56.15	322.35	3.72	-52.43
O=C(C1=CC=CC(O)=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004586743	0	32	-1.0	-59.44	272.05	-0.43	-59.87
O=C(C1=CC=CC(O)=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004586743	1	32	-1.0	-59.46	272.10	-0.41	-59.87
CN1C=NC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586744	0	33	-1.0	-55.78	279.00	3.75	-52.03
CN1C=NC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586744	1	33	-1.0	-55.82	279.06	3.77	-52.05
CC(C)(O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586745	0	36	-1.0	-51.99	289.14	0.45	-51.54
CC(C)(O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586745	1	36	-1.0	-52.00	289.19	0.48	-51.52
CN1N=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586746	0	36	-1.0	-50.92	300.99	3.00	-47.92
CN1N=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586746	1	36	-1.0	-50.91	301.04	3.03	-47.88
O=C(N1CCCC1C1=N[N-]N=N1)C1(F)CCCC1	REAL250004586747	0	33	-1.0	-51.19	263.83	3.38	-47.81
O=C(N1CCCC1C1=NN=N[N-]1)C1(F)CCCC1	REAL250004586747	1	33	-1.0	-51.19	263.89	3.40	-47.79
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004586748	0	32	-1.0	-51.01	284.15	2.80	-48.21
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004586748	1	32	-1.0	-51.01	284.21	2.82	-48.19
N#CC1=CC(O)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586749	0	32	-1.0	-40.89	276.90	0.60	-40.29
N#CC1=CC(O)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586749	1	32	-1.0	-40.93	276.96	0.59	-40.34
CC1=CN=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586750	0	35	-1.0	-53.45	291.29	3.37	-50.08
CC1=CN=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586750	1	35	-1.0	-53.46	291.35	3.38	-50.08
O=C(CC1=CC=CC=C1CO)N1CCCC1C1=N[N-]N=N1	REAL250004586751	0	37	-1.0	-54.62	306.25	2.02	-52.60
O=C(CC1=CC=CC=C1CO)N1CCCC1C1=NN=N[N-]1	REAL250004586751	1	37	-1.0	-54.65	306.31	2.05	-52.60
O=C(CC1C=CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586752	0	37	-1.0	-52.59	291.44	4.84	-47.75
O=C(CC1C=CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586752	1	37	-1.0	-52.61	291.50	4.86	-47.75
CC1CCCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586753	0	39	-1.0	-52.46	302.90	4.92	-47.54
CC1CCCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586753	1	39	-1.0	-52.47	302.96	4.94	-47.53
CN1C(=O)CCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586754	0	34	-1.0	-59.58	282.44	1.94	-57.64
CN1C(=O)CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586754	1	34	-1.0	-59.58	282.50	1.97	-57.61
O=C(C1=CC=NC2=CC=NC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586756	0	34	-1.0	-53.96	284.20	2.11	-51.85
O=C(C1=CC=NC2=CC=NC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586756	1	34	-1.0	-54.01	284.14	2.10	-51.91
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004586757	0	36	-1.0	-54.88	296.59	5.14	-49.74
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004586757	1	36	-1.0	-54.90	296.65	5.15	-49.75
C[C@H](NC(N)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586758	0	32	-1.0	-49.03	266.07	-2.91	-51.94
C[C@H](NC(N)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586758	1	32	-1.0	-49.05	266.13	-2.89	-51.94
CCOC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586759	0	35	-1.0	-49.66	297.40	0.31	-49.35
CCOC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586759	1	35	-1.0	-49.66	297.34	0.28	-49.38
O=C(C1=NC=CC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586760	0	29	-1.0	-57.64	269.47	3.32	-54.32
O=C(C1=NC=CC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586760	1	29	-1.0	-57.67	269.41	3.30	-54.37
O=C(C1=CSC(Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586761	0	26	-1.0	-49.65	255.79	1.97	-47.68
O=C(C1=CSC(Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586761	1	26	-1.0	-49.64	255.73	1.95	-47.69
O=C(C1=COC(CC2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586762	0	36	-1.0	-50.43	305.62	2.37	-48.06
O=C(C1=COC(CC2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586762	1	36	-1.0	-50.44	305.68	2.40	-48.04
CN1CCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL250004586763	0	39	-1.0	-43.13	305.85	2.92	-40.21
CN1CCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL250004586763	1	39	-1.0	-43.14	305.91	2.91	-40.23
O=C(CC1CC1(Cl)Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586764	0	30	-1.0	-47.60	283.24	4.27	-43.33
O=C(CC1CC1(Cl)Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586764	1	30	-1.0	-47.61	283.29	4.30	-43.31
CC1=CC(C)=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586765	0	35	-1.0	-54.63	291.61	3.97	-50.66
CC1=CC(C)=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586765	1	35	-1.0	-54.67	291.67	4.00	-50.67
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586766	0	39	-1.0	-54.57	311.24	5.21	-49.36
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586766	1	39	-1.0	-54.55	311.30	5.23	-49.32
O=C(C1CCC(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586767	0	33	-1.0	-51.91	266.45	3.48	-48.43
O=C(C1CCC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586767	1	33	-1.0	-51.90	266.51	3.51	-48.39
COC1=COC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004586768	0	33	-1.0	-56.60	284.01	1.98	-54.62
COC1=COC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004586768	1	33	-1.0	-56.58	284.07	2.00	-54.58
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586769	0	34	-1.0	-50.81	287.60	2.23	-48.58
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586769	1	34	-1.0	-50.81	287.54	2.20	-48.61
CC1=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=C1	REAL250004586770	0	37	-1.0	-51.08	313.51	6.15	-44.93
CC1=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=C1	REAL250004586770	1	37	-1.0	-51.10	313.45	6.14	-44.96
CC(O)C1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586771	0	33	-1.0	-54.88	291.79	-1.13	-56.01
CC(O)C1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586771	1	33	-1.0	-54.88	291.85	-1.11	-55.99
CN1C=C(C(O)C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586772	0	34	-1.0	-55.96	286.11	0.05	-55.91
CN1C=C(C(O)C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586772	1	34	-1.0	-55.95	286.06	0.03	-55.92
O=C(C1=CC(C2CC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004586773	0	33	-1.0	-47.08	282.51	3.37	-43.71
O=C(C1=CC(C2CC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004586773	1	33	-1.0	-47.12	282.57	3.40	-43.72
O=C([C@H]1CCCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586774	0	34	-1.0	-58.61	275.41	0.35	-58.26
O=C([C@H]1CCCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586774	1	34	-1.0	-58.65	275.46	0.37	-58.28
CC1=C(C#N)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586775	0	34	-1.0	-52.65	289.73	4.48	-48.17
CC1=C(C#N)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586775	1	34	-1.0	-52.66	289.77	4.49	-48.17
CC1=NC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2N1	REAL250004586776	0	36	-1.0	-44.04	290.93	2.72	-41.32
CC1=NC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2N1	REAL250004586776	1	36	-1.0	-44.01	290.88	2.72	-41.29
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL250004586777	0	34	-1.0	-53.87	291.31	4.47	-49.40
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL250004586777	1	34	-1.0	-53.83	291.37	4.50	-49.33
CN1N=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CN=C21	REAL250004586778	0	34	-1.0	-63.77	290.36	1.34	-62.43
CN1N=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CN=C21	REAL250004586778	1	34	-1.0	-63.76	290.31	1.33	-62.43
CC1CC(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586779	0	37	-1.0	-58.10	290.19	3.41	-54.69
CC1CC(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586779	1	37	-1.0	-58.16	290.25	3.44	-54.72
O=C(COC1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586780	0	31	-1.0	-55.45	279.01	3.56	-51.89
O=C(COC1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586780	1	31	-1.0	-55.45	279.06	3.58	-51.87
CCC1CCCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586781	0	42	-1.0	-52.59	305.63	5.04	-47.55
CCC1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586781	1	42	-1.0	-52.62	305.69	5.06	-47.56
CC(C)N1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004586782	0	38	-1.0	-52.22	308.81	1.95	-50.27
CC(C)N1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004586782	1	38	-1.0	-52.24	308.76	1.93	-50.31
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586783	0	37	-1.0	-51.12	306.01	3.13	-47.99
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586783	1	37	-1.0	-51.14	306.07	3.15	-47.99
CNC1=NC(C)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586784	0	36	-1.0	-51.40	302.36	3.62	-47.78
CNC1=NC(C)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586784	1	36	-1.0	-51.39	302.42	3.64	-47.75
O=C(C1=CC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586785	0	29	-1.0	-49.71	254.96	2.83	-46.88
O=C(C1=CC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586785	1	29	-1.0	-49.66	254.90	2.81	-46.85
O=C(C=CC1=CN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586786	0	30	-1.0	-53.08	273.45	2.41	-50.67
O=C(C=CC1=CN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586786	1	30	-1.0	-53.09	273.51	2.44	-50.65
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586787	0	30	-1.0	-57.56	264.22	3.37	-54.19
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586787	1	30	-1.0	-57.60	264.27	3.40	-54.20
O=C(CC1=CC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL250004586788	0	30	-1.0	-52.05	286.51	4.40	-47.65
O=C(CC1=CC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL250004586788	1	30	-1.0	-52.05	286.57	4.42	-47.63
CCC(C)CCC(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586789	0	45	-1.0	-55.32	350.28	3.53	-51.79
CCC(C)CCC(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586789	1	45	-1.0	-55.38	350.34	3.56	-51.82
CCCCC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586790	0	38	-1.0	-52.11	301.16	4.43	-47.68
CCCCC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586790	1	38	-1.0	-52.15	301.21	4.45	-47.70
O=C(C1CCCC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586791	0	36	-1.0	-48.26	291.91	4.23	-44.03
O=C(C1CCCC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586791	1	36	-1.0	-48.32	291.97	4.25	-44.07
CC(CC(N)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586792	0	33	-1.0	-49.00	273.34	-0.98	-49.98
CC(CC(N)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586792	1	33	-1.0	-48.97	273.40	-0.96	-49.93
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C=O)N1	REAL250004586793	0	33	-1.0	-53.25	281.03	1.68	-51.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C=O)N1	REAL250004586793	1	33	-1.0	-53.29	281.09	1.69	-51.60
CC1=C(Cl)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586794	0	33	-1.0	-51.03	285.20	4.67	-46.36
CC1=C(Cl)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586794	1	33	-1.0	-51.04	285.25	4.68	-46.36
O=C(C1CCCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586796	0	37	-1.0	-51.69	284.55	2.17	-49.52
O=C(C1CCCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586796	1	37	-1.0	-51.72	284.60	2.19	-49.53
COC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586797	0	36	-1.0	-53.77	282.18	2.94	-50.83
COC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586797	1	36	-1.0	-53.74	282.24	2.96	-50.78
N#CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL250004586798	0	31	-1.0	-48.42	278.07	4.01	-44.41
N#CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL250004586798	1	31	-1.0	-48.39	278.13	4.04	-44.35
CNC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586799	0	34	-1.0	-54.81	280.24	1.41	-53.40
CNC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586799	1	34	-1.0	-54.86	280.30	1.44	-53.42
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)NC=N1	REAL250004586800	0	33	-1.0	-55.17	279.61	2.73	-52.44
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)NC=N1	REAL250004586800	1	33	-1.0	-55.17	279.67	2.75	-52.42
O=C(C1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586801	0	26	-1.0	-57.29	236.82	0.55	-56.74
O=C(C1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586801	1	26	-1.0	-57.29	236.76	0.53	-56.76
CC1=C(C)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586802	0	32	-1.0	-51.76	281.58	2.88	-48.88
CC1=C(C)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586802	1	32	-1.0	-51.74	281.64	2.91	-48.83
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C#N)O1	REAL250004586803	0	31	-1.0	-47.14	273.52	2.98	-44.16
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C#N)O1	REAL250004586803	1	31	-1.0	-47.11	273.58	3.00	-44.11
O=C(CC1CCC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586804	0	36	-1.0	-52.78	295.70	4.48	-48.30
O=C(CC1CCC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586804	1	36	-1.0	-52.75	295.76	4.51	-48.24
O=C(CCCC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586805	0	43	-1.0	-52.81	334.05	4.03	-48.78
O=C(CCCC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586805	1	43	-1.0	-52.83	334.11	4.06	-48.77
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586806	0	40	-1.0	-54.90	316.43	6.12	-48.78
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586806	1	40	-1.0	-54.91	316.49	6.14	-48.77
COC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586807	0	36	-1.0	-56.42	302.29	2.30	-54.12
COC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586807	1	36	-1.0	-56.42	302.35	2.33	-54.09
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004586808	0	37	-1.0	-64.28	307.78	2.12	-62.16
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004586808	1	37	-1.0	-64.30	307.72	2.09	-62.21
CC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL250004586809	0	38	-1.0	-39.23	301.42	4.17	-35.06
CC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL250004586809	1	38	-1.0	-39.22	301.48	4.17	-35.05
O=C(C1=CC=NN1CC(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586810	0	33	-1.0	-49.48	284.26	2.52	-46.96
O=C(C1=CC=NN1CC(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586810	1	33	-1.0	-49.50	284.20	2.51	-46.99
O=C(C1CCC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586811	0	33	-1.0	-49.90	272.97	3.57	-46.33
O=C(C1CCC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586811	1	33	-1.0	-49.87	273.03	3.59	-46.28
CC1(C)CCC(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586812	0	37	-1.0	-57.66	294.03	3.47	-54.19
CC1(C)CCC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586812	1	37	-1.0	-57.66	294.09	3.50	-54.16
CC1=CSC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586813	0	35	-1.0	-53.50	307.22	3.18	-50.32
CC1=CSC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586813	1	35	-1.0	-53.52	307.28	3.20	-50.32
CCN1C=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586814	0	33	-1.0	-53.05	274.46	3.79	-49.26
CCN1C=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586814	1	33	-1.0	-53.00	274.40	3.77	-49.23
O=C(C1=COC(C2CCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586815	0	36	-1.0	-50.62	300.53	2.14	-48.48
O=C(C1=COC(C2CCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586815	1	36	-1.0	-50.63	300.59	2.17	-48.46
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CO1	REAL250004586816	0	33	-1.0	-53.39	272.06	3.21	-50.18
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CO1	REAL250004586816	1	33	-1.0	-53.37	272.12	3.23	-50.14
CC1C(C(=O)N2CCCC2C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004586817	0	40	-1.0	-52.97	327.16	6.54	-46.43
CC1C(C(=O)N2CCCC2C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004586817	1	40	-1.0	-52.92	327.22	6.57	-46.35
C#CC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586818	0	31	-1.0	-52.36	272.99	2.89	-49.47
C#CC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586818	1	31	-1.0	-52.36	273.05	2.91	-49.45
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004586819	0	35	-1.0	-45.87	287.45	3.81	-42.06
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004586819	1	35	-1.0	-45.90	287.51	3.84	-42.06
O=C(C1=CC=CN=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586820	0	29	-1.0	-41.55	244.65	1.30	-40.25
O=C(C1=CC=CN=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586820	1	29	-1.0	-41.55	244.58	1.28	-40.27
O=C(C1=CN=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586821	0	30	-1.0	-51.55	256.52	-1.10	-52.65
O=C(C1=CN=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586821	1	30	-1.0	-51.58	256.59	-1.08	-52.66
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004586822	0	32	-1.0	-51.22	267.13	2.42	-48.80
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004586822	1	32	-1.0	-51.15	267.19	2.45	-48.70
O=C(CCC1=NC=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004586823	0	33	-1.0	-51.20	280.01	2.15	-49.05
O=C(CCC1=NC=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004586823	1	33	-1.0	-51.15	280.06	2.18	-48.97
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=N1	REAL250004586824	0	35	-1.0	-55.44	290.68	3.22	-52.22
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=N1	REAL250004586824	1	35	-1.0	-55.45	290.74	3.23	-52.22
O=C(C1=NN(CC(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586825	0	33	-1.0	-56.22	291.58	3.14	-53.08
O=C(C1=NN(CC(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586825	1	33	-1.0	-56.17	291.52	3.11	-53.06
O=C(C1=C2NC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586826	0	33	-1.0	-62.15	276.70	1.85	-60.30
O=C(C1=C2NC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586826	1	33	-1.0	-62.14	276.65	1.83	-60.31
O=C(C1CCC(O)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004586827	0	37	-1.0	-53.21	291.68	0.75	-52.46
O=C(C1CCC(O)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004586827	1	37	-1.0	-53.23	291.74	0.76	-52.47
O=C(C1=CC=CC(CO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586828	0	34	-1.0	-56.60	283.51	0.86	-55.74
O=C(C1=CC=CC(CO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586828	1	34	-1.0	-56.61	283.57	0.89	-55.72
O=C(C1=CN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586829	0	26	-1.0	-53.13	236.60	0.67	-52.46
O=C(C1=CN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586829	1	26	-1.0	-53.09	236.55	0.65	-52.44
CCC1=CSC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586830	0	35	-1.0	-56.97	306.99	3.15	-53.82
CCC1=CSC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586830	1	35	-1.0	-56.98	307.05	3.18	-53.80
O=C(CC1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586831	0	37	-1.0	-54.87	290.12	2.58	-52.29
O=C(CC1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586831	1	37	-1.0	-54.89	290.18	2.60	-52.29
O=C(CCC1=CN=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586832	0	34	-1.0	-52.10	289.62	1.84	-50.26
O=C(CCC1=CN=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586832	1	34	-1.0	-52.06	289.68	1.86	-50.20
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586833	0	33	-1.0	-55.52	284.66	2.03	-53.49
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586833	1	33	-1.0	-55.55	284.60	2.00	-53.55
CC1=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL250004586834	0	35	-1.0	-43.74	287.62	0.69	-43.05
CC1=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL250004586834	1	35	-1.0	-43.80	287.68	0.69	-43.11
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586835	0	33	-1.0	-60.34	285.56	2.52	-57.82
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586835	1	33	-1.0	-60.36	285.50	2.49	-57.87
CC1=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2O1	REAL250004586836	0	35	-1.0	-64.27	295.63	1.27	-63.00
CC1=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2O1	REAL250004586836	1	35	-1.0	-64.26	295.57	1.26	-63.00
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1CO	REAL250004586837	0	37	-1.0	-47.51	300.17	1.31	-46.20
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1CO	REAL250004586837	1	37	-1.0	-47.48	300.24	1.31	-46.17
CN1C=NC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL250004586838	0	36	-1.0	-52.37	295.52	4.87	-47.50
CN1C=NC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL250004586838	1	36	-1.0	-52.36	295.47	4.86	-47.50
COC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004586839	0	32	-1.0	-48.66	287.44	2.28	-46.38
COC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004586839	1	32	-1.0	-48.68	287.39	2.25	-46.43
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1C	REAL250004586840	0	34	-1.0	-57.14	277.93	3.77	-53.37
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1C	REAL250004586840	1	34	-1.0	-57.07	277.99	3.78	-53.29
CC(C)N1C=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586841	0	36	-1.0	-55.59	298.53	4.99	-50.60
CC(C)N1C=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586841	1	36	-1.0	-55.58	298.47	4.97	-50.61
C=CC(C)(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586842	0	34	-1.0	-48.05	274.09	1.60	-46.45
C=CC(C)(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586842	1	34	-1.0	-48.05	274.15	1.63	-46.42
CC(=O)CSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586843	0	32	-1.0	-63.23	286.82	2.95	-60.28
CC(=O)CSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586843	1	32	-1.0	-63.23	286.87	2.98	-60.25
COC1=CC=CN=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586844	0	36	-1.0	-58.45	302.60	2.19	-56.26
COC1=CC=CN=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586844	1	36	-1.0	-58.40	302.66	2.21	-56.19
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SCCO1	REAL250004586845	0	33	-1.0	-57.56	284.92	2.60	-54.96
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SCCO1	REAL250004586845	1	33	-1.0	-57.58	284.97	2.62	-54.96
O=C(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL250004586846	0	33	-1.0	-47.58	283.23	0.98	-46.60
O=C(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL250004586846	1	33	-1.0	-47.58	283.29	1.00	-46.58
CC1COCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586847	0	37	-1.0	-54.74	290.13	2.18	-52.56
CC1COCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586847	1	37	-1.0	-54.77	290.19	2.20	-52.57
O=C(C1CC2CCCC(C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586848	0	43	-1.0	-52.68	314.10	5.47	-47.21
O=C(C1CC2CCCC(C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586848	1	43	-1.0	-52.71	314.16	5.48	-47.23
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NS1	REAL250004586849	0	29	-1.0	-52.35	259.89	2.52	-49.83
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NS1	REAL250004586849	1	29	-1.0	-52.35	259.95	2.55	-49.80
CCC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586850	0	35	-1.0	-52.77	288.56	3.20	-49.57
CCC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586850	1	35	-1.0	-52.73	288.50	3.19	-49.54
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586851	0	32	-1.0	-49.77	281.83	2.70	-47.07
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586851	1	32	-1.0	-49.78	281.89	2.73	-47.05
O=C(C1CC(=O)C2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586852	0	36	-1.0	-55.71	301.19	4.61	-51.10
O=C(C1CC(=O)C2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586852	1	36	-1.0	-55.74	301.25	4.63	-51.11
CC1=CC(=O)N(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004586853	0	36	-1.0	-69.13	304.87	3.91	-65.22
CC1=CC(=O)N(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004586853	1	36	-1.0	-69.12	304.92	3.94	-65.18
O=C(CC1=NC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586854	0	32	-1.0	-56.29	279.56	2.83	-53.46
O=C(CC1=NC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586854	1	32	-1.0	-56.30	279.62	2.86	-53.44
CC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586855	0	31	-1.0	-59.94	265.78	2.54	-57.40
CC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586855	1	31	-1.0	-59.92	265.84	2.56	-57.36
O=C(CCC1=CNC(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586856	0	36	-1.0	-54.67	305.24	2.36	-52.31
O=C(CCC1=CNC(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586856	1	36	-1.0	-54.66	305.30	2.39	-52.27
CC1CCC(OCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586857	0	43	-1.0	-57.53	334.54	5.38	-52.15
CC1CCC(OCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586857	1	43	-1.0	-57.58	334.60	5.40	-52.18
O=C(CCOCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586858	0	33	-1.0	-51.89	287.77	2.04	-49.85
O=C(CCOCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586858	1	33	-1.0	-51.90	287.82	2.07	-49.83
O=C(C(F)CC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586859	0	42	-1.0	-49.48	326.24	5.61	-43.87
O=C(C(F)CC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586859	1	42	-1.0	-49.48	326.30	5.63	-43.85
O=C(CC1=CC2=CNN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586860	0	36	-1.0	-57.15	305.49	3.38	-53.77
O=C(CC1=CC2=CNN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586860	1	36	-1.0	-57.14	305.55	3.41	-53.73
CC1C(=O)CCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586861	0	38	-1.0	-51.64	301.13	3.86	-47.78
CC1C(=O)CCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586861	1	38	-1.0	-51.69	301.19	3.89	-47.80
COC1CCCC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586862	0	43	-1.0	-51.01	331.54	3.94	-47.07
COC1CCCC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586862	1	43	-1.0	-51.00	331.60	3.96	-47.04
O=C(C1CC2=CC=C(F)C=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586863	0	34	-1.0	-49.29	287.74	5.15	-44.14
O=C(C1CC2=CC=C(F)C=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586863	1	34	-1.0	-49.29	287.80	5.17	-44.12
O=C(C1=CC=C2C=CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586864	0	38	-1.0	-54.70	305.87	5.92	-48.78
O=C(C1=CC=C2C=CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586864	1	38	-1.0	-54.70	305.92	5.95	-48.75
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004586865	0	34	-1.0	-57.27	276.38	3.14	-54.13
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586865	1	34	-1.0	-57.28	276.44	3.16	-54.12
O=C(C[C@@H]1CCCC[C@H]1O)N1CCCC1C1=N[N-]N=N1	REAL250004586866	0	40	-1.0	-53.00	308.96	1.66	-51.34
O=C(C[C@@H]1CCCC[C@H]1O)N1CCCC1C1=NN=N[N-]1	REAL250004586866	1	40	-1.0	-53.00	309.02	1.69	-51.31
O=C(C[C@H]1CCCC[C@@H]1O)N1CCCC1C1=N[N-]N=N1	REAL250004586867	0	40	-1.0	-55.41	308.96	1.66	-53.75
O=C(C[C@H]1CCCC[C@@H]1O)N1CCCC1C1=NN=N[N-]1	REAL250004586867	1	40	-1.0	-55.39	309.01	1.69	-53.70
O=C(C(F)=CC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586868	0	40	-1.0	-47.20	317.44	5.50	-41.70
O=C(C(F)=CC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586868	1	40	-1.0	-47.21	317.50	5.52	-41.69
CC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C=O	REAL250004586869	0	38	-1.0	-54.99	310.41	4.64	-50.35
CC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C=O	REAL250004586869	1	38	-1.0	-55.02	310.47	4.66	-50.36
CC(C)(C)N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586870	0	38	-1.0	-50.90	312.88	2.47	-48.43
CC(C)(C)N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586870	1	38	-1.0	-50.94	312.82	2.46	-48.48
CC(C)N1CCOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586871	0	42	-1.0	-55.28	316.37	1.32	-53.96
CC(C)N1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586871	1	42	-1.0	-55.22	316.42	1.35	-53.87
CN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C#N	REAL250004586872	0	31	-1.0	-54.53	275.64	1.53	-53.00
CN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C#N	REAL250004586872	1	31	-1.0	-54.48	275.59	1.51	-52.97
CN1C=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586873	0	35	-1.0	-56.85	296.95	4.86	-51.99
CN1C=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586873	1	35	-1.0	-56.83	297.01	4.89	-51.94
COC1=CC(C)=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586874	0	36	-1.0	-59.49	297.51	3.96	-55.53
COC1=CC(C)=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586874	1	36	-1.0	-59.48	297.45	3.93	-55.55
CCC(C)C(OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586875	0	39	-1.0	-55.16	299.68	3.78	-51.38
CCC(C)C(OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586875	1	39	-1.0	-55.16	299.74	3.78	-51.38
O=C(C1=CC=C(CO)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586876	0	34	-1.0	-51.08	287.85	1.13	-49.95
O=C(C1=CC=C(CO)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586876	1	34	-1.0	-51.10	287.91	1.16	-49.94
O=C(C1=NC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL250004586877	0	26	-1.0	-52.73	253.85	1.18	-51.55
O=C(C1=NC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL250004586877	1	26	-1.0	-52.76	253.79	1.15	-51.61
CC(C)(C)OC(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586878	0	41	-1.0	-49.46	329.60	4.50	-44.96
CC(C)(C)OC(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586878	1	41	-1.0	-49.46	329.66	4.53	-44.93
O=C(C1=NC=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586880	0	29	-1.0	-53.31	259.52	2.92	-50.39
O=C(C1=NC=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586880	1	29	-1.0	-53.27	259.46	2.89	-50.38
O=C(C1=CC(O)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586881	0	31	-1.0	-52.97	277.34	1.19	-51.78
O=C(C1=CC(O)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586881	1	31	-1.0	-53.01	277.39	1.21	-51.80
COC(=CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586882	0	38	-1.0	-51.58	308.98	4.87	-46.71
COC(=CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586882	1	38	-1.0	-51.55	309.04	4.90	-46.65
COC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586883	0	32	-1.0	-49.52	273.70	-0.30	-49.82
COC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586883	1	32	-1.0	-49.50	273.64	-0.32	-49.82
O=C(C[C@H]1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586884	0	34	-1.0	-53.40	273.44	1.75	-51.65
O=C(C[C@H]1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586884	1	34	-1.0	-53.40	273.50	1.77	-51.63
O=C(C1=CN=C2CCCCN12)N1CCCC1C1=N[N-]N=N1	REAL250004586885	0	37	-1.0	-54.14	292.70	3.65	-50.49
O=C(C1=CN=C2CCCCN12)N1CCCC1C1=NN=N[N-]1	REAL250004586885	1	37	-1.0	-54.14	292.76	3.66	-50.48
O=C(C1=C(Cl)OC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586886	0	27	-1.0	-54.41	247.37	2.23	-52.18
O=C(C1=C(Cl)OC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586886	1	27	-1.0	-54.41	247.43	2.25	-52.16
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL250004586887	0	33	-1.0	-40.96	279.07	4.24	-36.72
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL250004586887	1	33	-1.0	-40.95	279.13	4.25	-36.70
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586888	0	35	-1.0	-53.72	292.71	3.99	-49.73
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586888	1	35	-1.0	-53.74	292.65	3.96	-49.78
O=C(C1CCCS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586890	0	36	-1.0	-54.84	299.83	0.12	-54.72
O=C(C1CCCS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586890	1	36	-1.0	-54.91	299.89	0.13	-54.78
CN1C=CC=C1C(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586891	0	33	-1.0	-51.37	276.54	3.29	-48.08
CN1C=CC=C1C(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586891	1	33	-1.0	-51.35	276.59	3.31	-48.04
CCC(C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586892	0	38	-1.0	-51.88	298.02	4.39	-47.49
CCC(C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586892	1	38	-1.0	-51.92	298.07	4.42	-47.50
O=C(C1=C2CCCC2=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004586893	0	34	-1.0	-54.66	281.28	3.95	-50.71
O=C(C1=C2CCCC2=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004586893	1	34	-1.0	-54.70	281.34	3.98	-50.72
NC(=O)CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CO1	REAL250004586894	0	34	-1.0	-56.91	288.34	-0.73	-57.64
NC(=O)CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CO1	REAL250004586894	1	34	-1.0	-56.92	288.40	-0.71	-57.63
O=C(C(O)C1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586895	0	33	-1.0	-53.97	276.46	0.63	-53.34
O=C(C(O)C1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586895	1	33	-1.0	-53.97	276.40	0.61	-53.36
CC1=NOC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586896	0	32	-1.0	-54.42	276.19	2.86	-51.56
CC1=NOC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586896	1	32	-1.0	-54.42	276.25	2.88	-51.54
O=C(C1=C2CCOCC2=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004586897	0	35	-1.0	-54.80	287.83	2.08	-52.72
O=C(C1=C2CCOCC2=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004586897	1	35	-1.0	-54.79	287.89	2.10	-52.69
CCC1OCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586898	0	37	-1.0	-57.10	288.61	2.27	-54.83
CCC1OCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586898	1	37	-1.0	-57.10	288.66	2.29	-54.81
CC1=CN=C(COCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004586899	0	36	-1.0	-63.21	311.21	0.61	-62.60
CC1=CN=C(COCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004586899	1	36	-1.0	-63.19	311.27	0.63	-62.56
COCC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586900	0	33	-1.0	-52.97	292.18	0.41	-52.56
COCC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586900	1	33	-1.0	-53.00	292.24	0.44	-52.56
COC(=O)COCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586901	0	33	-1.0	-64.97	288.34	2.53	-62.44
COC(=O)COCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586901	1	33	-1.0	-64.96	288.40	2.56	-62.40
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004586902	0	38	-1.0	-50.69	312.81	2.24	-48.45
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004586902	1	38	-1.0	-50.73	312.87	2.27	-48.46
CC(C)(C)CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586903	0	44	-1.0	-51.90	338.98	5.70	-46.20
CC(C)(C)CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586903	1	44	-1.0	-51.90	339.04	5.73	-46.17
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004586904	0	37	-1.0	-55.69	297.46	-4.70	-60.39
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004586904	1	37	-1.0	-55.69	297.51	-4.68	-60.37
CN1C=NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=C21	REAL250004586905	0	35	-1.0	-56.52	296.81	5.04	-51.48
CN1C=NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=C21	REAL250004586905	1	35	-1.0	-56.54	296.75	5.02	-51.52
O=C(C1=NN2C=CC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586906	0	32	-1.0	-60.95	277.76	3.00	-57.95
O=C(C1=NN2C=CC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586906	1	32	-1.0	-60.94	277.71	2.97	-57.97
O=C(C1CCC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586907	0	36	-1.0	-52.02	289.89	4.23	-47.79
O=C(C1CCC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586907	1	36	-1.0	-52.00	289.94	4.25	-47.75
CC(C)(C)OCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586908	0	42	-1.0	-54.80	330.59	3.63	-51.17
CC(C)(C)OCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586908	1	42	-1.0	-54.80	330.64	3.65	-51.15
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586909	0	30	-1.0	-53.87	262.68	3.30	-50.57
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586909	1	30	-1.0	-53.88	262.74	3.31	-50.57
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004586910	0	29	-1.0	-47.57	262.09	2.16	-45.41
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004586910	1	29	-1.0	-47.59	262.15	2.18	-45.41
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C(C)C)O1	REAL250004586911	0	39	-1.0	-51.71	315.28	4.71	-47.00
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C(C)C)O1	REAL250004586911	1	39	-1.0	-51.68	315.34	4.72	-46.96
CC1=CSC(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586912	0	35	-1.0	-51.93	298.94	2.65	-49.28
CC1=CSC(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586912	1	35	-1.0	-51.93	298.99	2.68	-49.25
CC1=COC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004586913	0	33	-1.0	-52.80	275.15	3.38	-49.42
CC1=COC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004586913	1	33	-1.0	-52.78	275.21	3.40	-49.38
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1	REAL250004586914	0	34	-1.0	-55.99	276.65	2.85	-53.14
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1	REAL250004586914	1	34	-1.0	-55.96	276.71	2.87	-53.09
CC(C)C1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1	REAL250004586915	0	37	-1.0	-57.33	299.43	3.44	-53.89
CC(C)C1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1	REAL250004586915	1	37	-1.0	-57.35	299.49	3.45	-53.90
CC1=NC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586916	0	35	-1.0	-53.81	291.44	3.40	-50.41
CC1=NC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586916	1	35	-1.0	-53.79	291.50	3.42	-50.37
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586917	0	37	-1.0	-54.72	307.11	5.99	-48.73
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586917	1	37	-1.0	-54.68	307.17	6.01	-48.67
O=C(C1=C(Cl)C=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586918	0	27	-1.0	-54.30	255.27	2.99	-51.31
O=C(C1=C(Cl)C=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586918	1	27	-1.0	-54.30	255.33	3.02	-51.28
O=C(CC1=COC2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004586919	0	36	-1.0	-55.61	307.16	5.03	-50.58
O=C(CC1=COC2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004586919	1	36	-1.0	-55.62	307.22	5.05	-50.57
CN1N=CC=C1COCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586920	0	37	-1.0	-61.16	314.58	2.77	-58.39
CN1N=CC=C1COCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586920	1	37	-1.0	-61.16	314.63	2.80	-58.36
O=C(C1=CN2C=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586921	0	33	-1.0	-49.91	286.74	5.30	-44.61
O=C(C1=CN2C=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586921	1	33	-1.0	-49.88	286.80	5.32	-44.56
O=C(C1COC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586922	0	29	-1.0	-58.56	250.70	-1.81	-60.37
O=C(C1COC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586922	1	29	-1.0	-58.60	250.75	-1.78	-60.38
CC1=COC(C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586923	0	33	-1.0	-55.00	283.58	3.38	-51.62
CC1=COC(C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586923	1	33	-1.0	-54.97	283.63	3.41	-51.56
COCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL250004586924	0	33	-1.0	-54.27	287.18	0.32	-53.95
COCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL250004586924	1	33	-1.0	-54.25	287.24	0.34	-53.91
O=C(C1=CC=NC2=NNN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004586925	0	31	-1.0	-59.04	267.89	0.22	-58.82
O=C(C1=CC=NC2=NNN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004586925	1	31	-1.0	-59.03	267.83	0.20	-58.83
CC(C)C1=NN=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586926	0	34	-1.0	-48.82	299.09	2.30	-46.52
CC(C)C1=NN=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586926	1	34	-1.0	-48.81	299.15	2.32	-46.49
O=C(CCCC1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586927	0	35	-1.0	-56.94	306.95	3.37	-53.57
O=C(CCCC1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586927	1	35	-1.0	-56.95	307.01	3.40	-53.55
CC1=NC=CN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586928	0	33	-1.0	-56.45	280.83	3.52	-52.93
CC1=NC=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586928	1	33	-1.0	-56.46	280.89	3.54	-52.92
COCC1=NN(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586929	0	37	-1.0	-59.82	306.77	1.00	-58.82
COCC1=NN(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586929	1	37	-1.0	-59.83	306.83	1.02	-58.81
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL250004586930	0	30	-1.0	-52.46	273.32	2.34	-50.12
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL250004586930	1	30	-1.0	-52.46	273.26	2.32	-50.14
CC1(C=CC(=O)N2CCCC2C2=N[N-]N=N2)CCOCC1	REAL250004586931	0	41	-1.0	-53.83	315.94	3.33	-50.50
CC1(C=CC(=O)N2CCCC2C2=NN=N[N-]2)CCOCC1	REAL250004586931	1	41	-1.0	-53.81	316.00	3.35	-50.46
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1F	REAL250004586932	0	32	-1.0	-41.34	266.45	1.66	-39.68
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1F	REAL250004586932	1	32	-1.0	-41.36	266.38	1.67	-39.69
N#CC1=CC=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586933	0	31	-1.0	-42.20	270.18	3.55	-38.65
N#CC1=CC=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586933	1	31	-1.0	-42.25	270.23	3.55	-38.70
CN1C=C(C=O)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586935	0	33	-1.0	-57.11	278.30	2.81	-54.30
CN1C=C(C=O)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586935	1	33	-1.0	-57.14	278.36	2.83	-54.31
CN1C(C=O)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586936	0	33	-1.0	-57.75	274.37	2.64	-55.11
CN1C(C=O)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586936	1	33	-1.0	-57.81	274.42	2.65	-55.16
O=C(CCC1=NNN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586937	0	32	-1.0	-50.12	274.43	0.53	-49.59
O=C(CCC1=NNN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586937	1	32	-1.0	-50.12	274.48	0.56	-49.56
CCC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004586938	0	38	-1.0	-60.68	315.62	4.45	-56.23
CCC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004586938	1	38	-1.0	-60.66	315.67	4.48	-56.18
O=C(CCC1(O)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586939	0	37	-1.0	-53.31	296.76	1.34	-51.97
O=C(CCC1(O)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586939	1	37	-1.0	-53.28	296.82	1.37	-51.91
CC1CC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL250004586940	0	38	-1.0	-47.03	301.20	4.58	-42.45
CC1CC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL250004586940	1	38	-1.0	-47.02	301.27	4.59	-42.43
O=C(C1=CN(CC2CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586941	0	36	-1.0	-50.66	305.57	2.95	-47.71
O=C(C1=CN(CC2CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586941	1	36	-1.0	-50.65	305.51	2.92	-47.73
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586942	0	35	-1.0	-53.44	291.88	4.06	-49.38
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586942	1	35	-1.0	-53.44	291.82	4.04	-49.40
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CCC2	REAL250004586943	0	40	-1.0	-55.28	314.36	6.00	-49.28
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CCC2	REAL250004586943	1	40	-1.0	-55.31	314.42	6.02	-49.29
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CS1	REAL250004586944	0	30	-1.0	-52.51	260.18	3.29	-49.22
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CS1	REAL250004586944	1	30	-1.0	-52.50	260.24	3.31	-49.19
O=C(CC1(O)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586945	0	34	-1.0	-50.28	273.94	1.83	-48.45
O=C(CC1(O)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586945	1	34	-1.0	-50.28	273.99	1.86	-48.42
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C(C)C	REAL250004586946	0	39	-1.0	-57.17	318.78	4.00	-53.17
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C(C)C	REAL250004586946	1	39	-1.0	-57.15	318.84	4.02	-53.13
CN1N=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004586947	0	35	-1.0	-51.96	297.49	1.64	-50.32
CN1N=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004586947	1	35	-1.0	-51.98	297.55	1.66	-50.32
CCC(CC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586948	0	35	-1.0	-49.21	293.07	3.83	-45.38
CCC(CC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586948	1	35	-1.0	-49.18	293.13	3.85	-45.33
O=C(CC1CCC2CC21)N1CCCC1C1=N[N-]N=N1	REAL250004586949	0	37	-1.0	-52.17	291.10	4.99	-47.18
O=C(CC1CCC2CC21)N1CCCC1C1=NN=N[N-]1	REAL250004586949	1	37	-1.0	-52.19	291.16	5.02	-47.17
CC1=NN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586950	0	31	-1.0	-54.75	280.43	1.43	-53.32
CC1=NN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586950	1	31	-1.0	-54.72	280.49	1.46	-53.26
CC1=CC=C(F)C(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586951	0	36	-1.0	-57.61	306.08	5.37	-52.24
CC1=CC=C(F)C(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586951	1	36	-1.0	-57.60	306.14	5.40	-52.20
CC1=CN=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586952	0	38	-1.0	-51.25	316.94	4.34	-46.91
CC1=CN=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586952	1	38	-1.0	-51.27	317.00	4.35	-46.92
O=C(CCC1=CN=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586953	0	34	-1.0	-50.91	290.35	3.51	-47.40
O=C(CCC1=CN=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586953	1	34	-1.0	-50.94	290.29	3.49	-47.45
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004586954	0	38	-1.0	-50.19	312.95	1.46	-48.73
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004586954	1	38	-1.0	-50.15	313.01	1.48	-48.67
CC(C)CC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586955	0	47	-1.0	-50.79	343.69	6.12	-44.67
CC(C)CC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586955	1	47	-1.0	-50.79	343.74	6.13	-44.66
O=C(CCCC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004586956	0	38	-1.0	-62.27	316.53	4.75	-57.52
O=C(CCCC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586956	1	38	-1.0	-62.30	316.59	4.77	-57.53
O=C(C1CC12CCSCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586957	0	38	-1.0	-51.25	312.76	5.13	-46.12
O=C(C1CC12CCSCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586957	1	38	-1.0	-51.32	312.82	5.15	-46.17
CC1=NC2=CC=NN2C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586958	0	35	-1.0	-49.69	302.41	3.37	-46.32
CC1=NC2=CC=NN2C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586958	1	35	-1.0	-49.68	302.47	3.39	-46.29
CCCCCC(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586959	0	39	-1.0	-50.99	311.38	2.53	-48.46
CCCCCC(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586959	1	39	-1.0	-50.98	311.44	2.55	-48.43
O=C(C1=CNC2=NC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586960	0	33	-1.0	-50.16	285.39	3.20	-46.96
O=C(C1=CNC2=NC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586960	1	33	-1.0	-50.13	285.33	3.18	-46.95
O=C(C1=CN=C2NC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586960	1	33	-1.0	-48.70	271.59	2.23	-46.47
O=C(C1=CN=C2NC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586960	1	33	-1.0	-48.69	271.52	2.24	-46.45
O=C(CSC(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586961	0	27	-1.0	-51.36	255.53	2.53	-48.83
O=C(CSC(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586961	1	27	-1.0	-51.36	255.58	2.56	-48.80
CC(=O)C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004586962	0	34	-1.0	-62.56	299.84	1.13	-61.43
CC(=O)C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004586962	1	34	-1.0	-62.60	299.90	1.16	-61.44
O=C(C#CC1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586963	0	29	-1.0	-52.74	276.55	4.42	-48.32
O=C(C#CC1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586963	1	29	-1.0	-52.77	276.61	4.44	-48.33
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586964	0	39	-1.0	-52.76	313.25	5.18	-47.58
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586964	1	39	-1.0	-52.82	313.31	5.21	-47.61
O=C(C1=CC2=C(CCCC2)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586965	0	38	-1.0	-55.53	300.38	4.33	-51.20
O=C(C1=CC2=C(CCCC2)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586965	1	38	-1.0	-55.55	300.44	4.34	-51.21
O=C(CCC1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004586966	0	37	-1.0	-59.06	302.96	1.15	-57.91
O=C(CCC1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004586966	1	37	-1.0	-59.10	303.01	1.18	-57.92
O=C(CC1=CC=C(O)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586967	0	34	-1.0	-53.85	296.48	1.89	-51.96
O=C(CC1=CC=C(O)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586967	1	34	-1.0	-53.90	296.54	1.92	-51.98
O=C(C1CCCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004586968	0	36	-1.0	-58.86	289.22	4.17	-54.69
O=C(C1CCCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004586968	1	36	-1.0	-58.83	289.28	4.19	-54.64
CC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1C	REAL250004586969	0	42	-1.0	-51.65	308.30	5.00	-46.65
CC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1C	REAL250004586969	1	42	-1.0	-51.68	308.36	5.02	-46.66
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586970	0	35	-1.0	-56.20	285.08	2.20	-54.00
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586970	1	35	-1.0	-56.20	285.14	2.23	-53.97
COC1COCCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586971	0	41	-1.0	-53.45	320.67	1.98	-51.47
COC1COCCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586971	1	41	-1.0	-53.44	320.73	2.00	-51.44
CC(C)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586972	0	38	-1.0	-52.00	301.37	4.51	-47.49
CC(C)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586972	1	38	-1.0	-51.98	301.43	4.54	-47.44
CCCC1CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586973	0	42	-1.0	-54.16	320.84	5.42	-48.74
CCCC1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586973	1	42	-1.0	-54.16	320.90	5.45	-48.71
CN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL250004586974	0	30	-1.0	-51.82	268.57	1.75	-50.07
CN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL250004586974	1	30	-1.0	-51.81	268.51	1.73	-50.08
CCOC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586975	0	33	-1.0	-46.17	285.28	0.27	-45.90
CCOC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586975	1	33	-1.0	-46.16	285.22	0.24	-45.92
CC(C)(CCC(=O)N1CCCC1C1=N[N-]N=N1)[N+](=O)[O-]	REAL250004586976	0	37	-1.0	-58.89	302.60	3.73	-55.16
CC(C)(CCC(=O)N1CCCC1C1=NN=N[N-]1)[N+](=O)[O-]	REAL250004586976	1	37	-1.0	-58.89	302.66	3.75	-55.14
CC1=CN=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586977	0	32	-1.0	-49.28	266.27	2.55	-46.73
CC1=CN=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586977	1	32	-1.0	-49.30	266.22	2.53	-46.77
CC(C)(C)C(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586978	0	43	-1.0	-62.07	342.79	4.98	-57.09
CC(C)(C)C(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586978	1	43	-1.0	-62.04	342.85	5.01	-57.03
O=C(C1=C2CCCCC2=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004586979	0	36	-1.0	-48.48	291.80	3.66	-44.82
O=C(C1=C2CCCCC2=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004586979	1	36	-1.0	-48.49	291.85	3.68	-44.81
O=C(CC1CC(=O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586980	0	33	-1.0	-59.15	279.04	0.83	-58.32
O=C(CC1CC(=O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586980	1	33	-1.0	-59.15	279.10	0.85	-58.30
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004586981	0	32	-1.0	-54.64	274.28	-1.36	-56.00
NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004586981	1	32	-1.0	-54.66	274.33	-1.35	-56.01
O=C(C1=C2C=CNC2=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004586982	0	33	-1.0	-60.28	277.76	2.79	-57.49
O=C(C1=C2C=CNC2=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004586982	1	33	-1.0	-60.29	277.70	2.76	-57.53
N#CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004586983	0	28	-1.0	-54.13	261.78	3.07	-51.06
N#CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004586983	1	28	-1.0	-54.16	261.84	3.09	-51.07
O=C(C1=CC=CC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004586984	0	40	-1.0	-54.88	311.26	5.98	-48.90
O=C(C1=CC=CC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004586984	1	40	-1.0	-54.86	311.31	6.00	-48.86
O=C(C1=NSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586985	0	26	-1.0	-52.29	238.00	1.75	-50.54
O=C(C1=NSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586985	1	26	-1.0	-52.26	237.94	1.72	-50.54
CCC1CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586986	0	39	-1.0	-54.03	294.63	4.97	-49.06
CCC1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586986	1	39	-1.0	-54.05	294.69	4.99	-49.06
O=C(C=CC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004586987	0	35	-1.0	-52.62	288.01	2.33	-50.29
O=C(C=CC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004586987	1	35	-1.0	-52.62	288.07	2.34	-50.28
O=C(C1=NN2CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586988	0	34	-1.0	-58.51	281.10	2.81	-55.70
O=C(C1=NN2CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586988	1	34	-1.0	-58.48	281.16	2.83	-55.65
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C#N)N1	REAL250004586989	0	32	-1.0	-50.71	278.30	2.39	-48.32
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C#N)N1	REAL250004586989	1	32	-1.0	-50.70	278.36	2.40	-48.30
O=C(C1=C2CCCN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586990	0	34	-1.0	-55.55	280.21	2.17	-53.38
O=C(C1=C2CCCN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586990	1	34	-1.0	-55.54	280.27	2.19	-53.35
O=C(C=CC1=CNN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586991	0	31	-1.0	-55.32	269.02	1.69	-53.63
O=C(C=CC1=CNN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586991	1	31	-1.0	-55.31	268.96	1.67	-53.64
O=C(C1=CC(=O)NN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586992	0	29	-1.0	-38.24	244.07	-1.52	-39.76
O=C(C1=CC(=O)NN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586992	1	29	-1.0	-38.26	244.14	-1.52	-39.78
CC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004586993	0	31	-1.0	-60.08	262.94	2.25	-57.83
CC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586993	1	31	-1.0	-60.08	263.00	2.27	-57.81
O=C([C@@H]1CNC(=O)O1)N1CCCC1C1=N[N-]N=N1	REAL250004586994	0	29	-1.0	-62.12	250.27	-1.36	-63.48
O=C([C@@H]1CNC(=O)O1)N1CCCC1C1=NN=N[N-]1	REAL250004586994	1	29	-1.0	-62.14	250.33	-1.33	-63.47
C[Si](C)(C)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586995	0	41	-1.0	-53.64	334.22	7.08	-46.56
C[Si](C)(C)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586995	1	41	-1.0	-53.65	334.28	7.10	-46.55
CN1C=C(C=C(C#N)C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004586996	0	35	-1.0	-48.69	301.36	2.72	-45.97
CN1C=C(C=C(C#N)C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004586996	1	35	-1.0	-48.67	301.42	2.74	-45.93
O=C(C1CCC2=NC=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL250004586997	0	37	-1.0	-52.15	299.59	3.98	-48.17
O=C(C1CCC2=NC=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL250004586997	1	37	-1.0	-52.07	299.64	3.99	-48.08
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586998	0	37	-1.0	-54.56	310.30	5.18	-49.38
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586998	1	37	-1.0	-54.51	310.35	5.20	-49.31
CC1=NN=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586999	0	28	-1.0	-49.61	256.80	0.95	-48.66
CC1=NN=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586999	1	28	-1.0	-49.64	256.85	0.97	-48.67
O=C(CSC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587000	0	31	-1.0	-53.56	274.35	3.84	-49.72
O=C(CSC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587000	1	31	-1.0	-53.57	274.41	3.87	-49.70
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL250004587001	0	36	-1.0	-57.65	300.58	2.91	-54.74
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL250004587001	1	36	-1.0	-57.68	300.63	2.93	-54.75
O=C(C1=C2OCCCN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587002	0	35	-1.0	-59.66	288.88	0.63	-59.03
O=C(C1=C2OCCCN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587002	1	35	-1.0	-59.68	288.82	0.61	-59.07
CC1=CC(C#N)=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587003	0	33	-1.0	-49.47	285.57	3.83	-45.64
CC1=CC(C#N)=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587003	1	33	-1.0	-49.44	285.51	3.80	-45.64
CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587004	0	33	-1.0	-58.63	281.38	2.64	-55.99
CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587004	1	33	-1.0	-58.62	281.43	2.66	-55.96
COC1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587005	0	40	-1.0	-56.69	308.52	2.91	-53.78
COC1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587005	1	40	-1.0	-56.66	308.58	2.93	-53.73
CNC(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587006	0	35	-1.0	-62.80	294.89	-1.35	-64.15
CNC(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587006	1	35	-1.0	-62.81	294.94	-1.33	-64.14
CCN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587007	0	32	-1.0	-51.09	274.12	1.19	-49.90
CCN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587007	1	32	-1.0	-51.08	274.06	1.16	-49.92
CCOC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587008	0	34	-1.0	-49.39	286.99	-0.77	-50.16
CCOC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587008	1	34	-1.0	-49.38	287.05	-0.75	-50.13
O=C(C1CCC2=CN=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587009	0	37	-1.0	-51.47	294.69	4.52	-46.95
O=C(C1CCC2=CN=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587009	1	37	-1.0	-51.49	294.75	4.55	-46.94
O=C(C1CC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587010	0	37	-1.0	-52.49	297.18	5.56	-46.93
O=C(C1CC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587010	1	37	-1.0	-52.45	297.23	5.59	-46.86
O=C(C1=NC=CN2C=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587011	0	32	-1.0	-66.67	275.25	3.46	-63.21
O=C(C1=NC=CN2C=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587011	1	32	-1.0	-66.64	275.19	3.45	-63.19
CC(C)(C)N1C=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587012	0	38	-1.0	-60.52	311.95	4.71	-55.81
CC(C)(C)N1C=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587012	1	38	-1.0	-60.50	311.89	4.69	-55.81
CCCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004587013	0	35	-1.0	-50.27	295.32	3.84	-46.43
CCCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004587013	1	35	-1.0	-50.24	295.38	3.87	-46.37
NC1=NC(Cl)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587014	0	31	-1.0	-46.85	276.51	1.30	-45.55
NC1=NC(Cl)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587014	1	31	-1.0	-46.81	276.45	1.28	-45.53
CCC1=CC=C(C#CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587015	0	38	-1.0	-52.95	329.72	6.80	-46.15
CCC1=CC=C(C#CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587015	1	38	-1.0	-52.91	329.78	6.82	-46.09
O=C(CCC1=NOC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587016	0	32	-1.0	-51.72	275.59	2.76	-48.96
O=C(CCC1=NOC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587016	1	32	-1.0	-51.72	275.65	2.79	-48.93
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)(F)F	REAL250004587017	0	32	-1.0	-59.70	262.02	2.82	-56.88
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)(F)F	REAL250004587017	1	32	-1.0	-59.70	262.08	2.84	-56.86
CCN1N=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587018	0	32	-1.0	-47.92	266.14	0.84	-47.08
CCN1N=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587018	1	32	-1.0	-47.97	266.08	0.82	-47.15
CC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004587019	0	33	-1.0	-53.17	272.35	2.15	-51.02
CC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004587019	1	33	-1.0	-53.19	272.41	2.17	-51.02
CN1C=NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL250004587020	0	36	-1.0	-47.65	292.39	4.35	-43.30
CN1C=NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL250004587020	1	36	-1.0	-47.61	292.33	4.35	-43.26
CCN1N=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587021	0	35	-1.0	-51.07	292.63	1.75	-49.32
CCN1N=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587021	1	35	-1.0	-51.11	292.69	1.78	-49.33
O=CC1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587022	0	30	-1.0	-65.77	261.08	1.68	-64.09
O=CC1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587022	1	30	-1.0	-65.80	261.13	1.69	-64.11
O=C(CC1=CN=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587023	0	33	-1.0	-56.04	285.14	0.02	-56.02
O=C(CC1=CN=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587023	1	33	-1.0	-56.01	285.19	0.05	-55.96
CN1C=NN(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004587024	0	36	-1.0	-62.89	308.86	3.64	-59.25
CN1C=NN(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004587024	1	36	-1.0	-62.88	308.92	3.66	-59.22
CC1=NC=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587025	0	37	-1.0	-50.73	311.64	3.46	-47.27
CC1=NC=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587025	1	37	-1.0	-50.77	311.70	3.49	-47.28
O=C(CCN1C=NC=CC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587026	0	35	-1.0	-61.35	299.48	3.49	-57.86
O=C(CCN1C=NC=CC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587026	1	35	-1.0	-61.35	299.42	3.46	-57.89
CC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004587027	0	32	-1.0	-61.96	283.79	3.11	-58.85
CC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004587027	1	32	-1.0	-61.99	283.85	3.14	-58.85
COC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587028	0	32	-1.0	-57.71	273.87	1.25	-56.46
COC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587028	1	32	-1.0	-57.70	273.81	1.23	-56.47
O=C(C1CC2CCC1CC2)N1CCCC1C1=N[N-]N=N1	REAL250004587029	0	40	-1.0	-52.80	292.99	4.89	-47.91
O=C(C1CC2CCC1CC2)N1CCCC1C1=NN=N[N-]1	REAL250004587029	1	40	-1.0	-52.80	293.05	4.92	-47.88
COCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587030	0	34	-1.0	-54.82	289.61	0.65	-54.17
COCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587030	1	34	-1.0	-54.81	289.55	0.63	-54.18
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1C(C)C	REAL250004587031	0	40	-1.0	-56.26	318.03	5.17	-51.09
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1C(C)C	REAL250004587031	1	40	-1.0	-56.25	318.09	5.18	-51.07
CC1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587032	0	30	-1.0	-52.59	263.87	3.26	-49.33
CC1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587032	1	30	-1.0	-52.60	263.93	3.28	-49.32
O=C(CC1=CNC2=CN=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587033	0	36	-1.0	-59.62	305.88	2.97	-56.65
O=C(CC1=CNC2=CN=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587033	1	36	-1.0	-59.60	305.94	2.99	-56.61
CCCC(OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587034	0	36	-1.0	-55.15	290.01	3.12	-52.03
CCCC(OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587034	1	36	-1.0	-55.13	290.06	3.15	-51.98
O=C(C1=NC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587035	0	29	-1.0	-55.49	261.11	3.27	-52.22
O=C(C1=NC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587035	1	29	-1.0	-55.48	261.05	3.24	-52.24
O=C(C1=NN2CCCNC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587036	0	35	-1.0	-60.52	289.51	3.40	-57.12
O=C(C1=NN2CCCNC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587036	1	35	-1.0	-60.50	289.45	3.38	-57.12
O=C(C1=C(C2CC2)OC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587037	0	33	-1.0	-53.66	280.37	1.75	-51.91
O=C(C1=C(C2CC2)OC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587037	1	33	-1.0	-53.67	280.32	1.72	-51.95
O=C(C1=C(F)C=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587038	0	27	-1.0	-58.49	246.64	2.54	-55.95
O=C(C1=C(F)C=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587038	1	27	-1.0	-58.51	246.70	2.57	-55.94
COCC(C)C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587039	0	39	-1.0	-54.13	301.38	2.33	-51.80
COCC(C)C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587039	1	39	-1.0	-54.16	301.44	2.35	-51.81
O=C(C1CCC2=CC=CC(O)=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587040	0	38	-1.0	-60.66	310.40	2.78	-57.88
O=C(C1CCC2=CC=CC(O)=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587040	1	38	-1.0	-60.70	310.47	2.80	-57.90
CN1C=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587041	0	36	-1.0	-54.09	303.44	3.17	-50.92
CN1C=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587041	1	36	-1.0	-54.15	303.50	3.19	-50.96
COC1CCCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587042	0	40	-1.0	-55.42	312.54	3.09	-52.33
COC1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587042	1	40	-1.0	-55.40	312.60	3.10	-52.30
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004587043	0	32	-1.0	-51.51	270.51	0.88	-50.63
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004587043	1	32	-1.0	-51.48	270.56	0.91	-50.57
O=C(C1=CC(F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587044	0	30	-1.0	-40.49	264.08	3.65	-36.84
O=C(C1=CC(F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587044	1	30	-1.0	-40.49	264.15	3.65	-36.84
CC(C)N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587045	0	35	-1.0	-50.65	293.03	1.91	-48.74
CC(C)N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587045	1	35	-1.0	-50.60	292.97	1.88	-48.72
O=C(CCC1=NC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587046	0	34	-1.0	-55.59	290.59	2.67	-52.92
O=C(CCC1=NC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587046	1	34	-1.0	-55.61	290.65	2.70	-52.91
O=C(C1=CC2=CN=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004587047	0	32	-1.0	-50.09	277.70	2.71	-47.38
O=C(C1=CC2=CN=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004587047	1	32	-1.0	-50.11	277.64	2.69	-47.42
O=C(CCC1=CN=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587048	0	32	-1.0	-51.46	285.45	2.73	-48.73
O=C(CCC1=CN=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587048	1	32	-1.0	-51.46	285.39	2.70	-48.76
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587049	0	39	-1.0	-54.96	316.56	4.47	-50.49
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587049	1	39	-1.0	-54.97	316.63	4.48	-50.49
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004587050	0	39	-1.0	-50.29	296.12	4.83	-45.46
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004587050	1	39	-1.0	-50.32	296.18	4.85	-45.47
O=C(C1CCCC2=C1NN=N2)N1CCCC1C1=N[N-]N=N1	REAL250004587051	0	36	-1.0	-55.60	293.06	1.19	-54.41
O=C(C1CCCC2=C1NN=N2)N1CCCC1C1=NN=N[N-]1	REAL250004587051	1	36	-1.0	-55.62	293.12	1.21	-54.41
CCC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587052	0	35	-1.0	-50.35	292.12	0.86	-49.49
CCC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587052	1	35	-1.0	-50.35	292.18	0.89	-49.46
O=C(C1=NOC(CO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587053	0	30	-1.0	-52.83	263.74	-1.06	-53.89
O=C(C1=NOC(CO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587053	1	30	-1.0	-52.79	263.80	-1.03	-53.82
O=C(CC1=CC=NC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587054	0	32	-1.0	-52.71	280.55	2.84	-49.87
O=C(CC1=CC=NC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587054	1	32	-1.0	-52.70	280.61	2.87	-49.83
CC1=CC=C(O)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587055	0	34	-1.0	-52.50	282.01	1.38	-51.12
CC1=CC=C(O)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587055	1	34	-1.0	-52.51	282.07	1.40	-51.11
COCC1=NOC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587056	0	33	-1.0	-54.95	281.17	0.82	-54.13
COCC1=NOC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587056	1	33	-1.0	-54.96	281.22	0.84	-54.12
COC(=O)CC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587057	0	38	-1.0	-59.67	308.85	3.70	-55.97
COC(=O)CC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587057	1	38	-1.0	-59.62	308.90	3.73	-55.89
O=C(C1=C(C2CC2)N=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004587058	0	33	-1.0	-52.96	280.24	1.00	-51.96
O=C(C1=C(C2CC2)N=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004587058	1	33	-1.0	-52.91	280.29	1.02	-51.89
O=C(N1CCCC1C1=N[N-]N=N1)C1(F)CCCCC1	REAL250004587059	0	36	-1.0	-48.07	278.65	3.85	-44.22
O=C(N1CCCC1C1=NN=N[N-]1)C1(F)CCCCC1	REAL250004587059	1	36	-1.0	-48.06	278.71	3.88	-44.18
N#CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587060	0	30	-1.0	-51.80	269.52	3.05	-48.75
N#CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587060	1	30	-1.0	-51.83	269.47	3.02	-48.81
CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587061	0	36	-1.0	-50.70	312.75	5.36	-45.34
CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587061	1	36	-1.0	-50.73	312.80	5.39	-45.34
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004587062	0	33	-1.0	-53.83	281.07	2.26	-51.57
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004587062	1	33	-1.0	-53.85	281.13	2.27	-51.58
O=C(CC1CCCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587063	0	37	-1.0	-57.38	296.96	1.32	-56.06
O=C(CC1CCCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587063	1	37	-1.0	-57.34	297.02	1.35	-55.99
O=C(C1CCCSC1)N1CCCC1C1=N[N-]N=N1	REAL250004587064	0	34	-1.0	-49.96	275.91	3.64	-46.32
O=C(C1CCCSC1)N1CCCC1C1=NN=N[N-]1	REAL250004587064	1	34	-1.0	-49.95	275.97	3.66	-46.29
O=C(C1=NN2CCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587065	0	32	-1.0	-55.72	272.04	-0.07	-55.79
O=C(C1=NN2CCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587065	1	32	-1.0	-55.70	271.98	-0.09	-55.79
C#CC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587066	0	35	-1.0	-53.97	304.40	5.74	-48.23
C#CC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587066	1	35	-1.0	-53.99	304.46	5.77	-48.22
O=C(C1=CC2=NON=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587067	0	31	-1.0	-35.59	259.14	1.84	-33.75
O=C(C1=CC2=NON=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587067	1	31	-1.0	-35.56	259.07	1.83	-33.73
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587068	0	32	-1.0	-60.36	271.84	-2.74	-63.10
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587068	1	32	-1.0	-60.32	271.90	-2.71	-63.03
O=C(C=CCN1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587069	0	40	-1.0	-53.13	321.55	0.78	-52.35
O=C(C=CCN1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587069	1	40	-1.0	-53.13	321.61	0.81	-52.32
O=C(C1CCC2=NN=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587070	0	36	-1.0	-52.90	289.41	4.49	-48.41
O=C(C1CCC2=NN=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587070	1	36	-1.0	-52.91	289.47	4.52	-48.39
O=C(C1CCCCCC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587071	0	41	-1.0	-56.07	303.00	3.93	-52.14
O=C(C1CCCCCC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587071	1	41	-1.0	-56.04	303.06	3.95	-52.09
CC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587072	0	38	-1.0	-52.82	308.95	4.63	-48.19
CC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587072	1	38	-1.0	-52.83	308.89	4.60	-48.23
C=CC(=O)N(CC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587073	0	37	-1.0	-55.23	310.26	3.21	-52.02
C=CC(=O)N(CC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587073	1	37	-1.0	-55.22	310.32	3.24	-51.98
O=C(CC1=CN=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587074	0	32	-1.0	-52.04	288.65	3.34	-48.70
O=C(CC1=CN=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587074	1	32	-1.0	-52.06	288.60	3.31	-48.75
CCOC(=O)C(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587075	0	41	-1.0	-47.41	328.04	4.50	-42.91
CCOC(=O)C(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587075	1	41	-1.0	-47.42	328.10	4.52	-42.90
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL250004587076	0	34	-1.0	-41.50	278.70	0.08	-41.42
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL250004587076	1	34	-1.0	-41.51	278.64	0.09	-41.42
CC1=NSC(C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587077	0	32	-1.0	-48.25	285.11	2.77	-45.48
CC1=NSC(C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587077	1	32	-1.0	-48.24	285.16	2.80	-45.44
O=C(C1=CN(CCF)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587078	0	33	-1.0	-55.82	282.55	2.35	-53.47
O=C(C1=CN(CCF)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587078	1	33	-1.0	-55.86	282.50	2.33	-53.53
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1O	REAL250004587079	0	37	-1.0	-53.66	302.45	2.23	-51.43
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1O	REAL250004587079	1	37	-1.0	-53.65	302.51	2.26	-51.39
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004587080	0	34	-1.0	-50.77	293.88	2.47	-48.30
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004587080	1	34	-1.0	-50.75	293.94	2.48	-48.27
CN1C=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CN=C21	REAL250004587081	0	35	-1.0	-64.14	295.48	4.10	-60.04
CN1C=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CN=C21	REAL250004587081	1	35	-1.0	-64.16	295.42	4.08	-60.08
CCCC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587082	0	38	-1.0	-49.94	313.65	1.62	-48.32
CCCC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587082	1	38	-1.0	-49.93	313.71	1.64	-48.29
O=C(N1CCCC1C1=N[N-]N=N1)C1(F)CCOC1	REAL250004587084	0	31	-1.0	-46.06	255.56	0.87	-45.19
O=C(N1CCCC1C1=NN=N[N-]1)C1(F)CCOC1	REAL250004587084	1	31	-1.0	-46.02	255.62	0.89	-45.13
O=C(N1CCCC1C1=N[N-]N=N1)C1(CCF)CC1	REAL250004587085	0	33	-1.0	-50.80	274.68	3.52	-47.28
O=C(N1CCCC1C1=NN=N[N-]1)C1(CCF)CC1	REAL250004587085	1	33	-1.0	-50.82	274.73	3.54	-47.28
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1C	REAL250004587086	0	37	-1.0	-57.44	298.50	4.45	-52.99
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1C	REAL250004587086	1	37	-1.0	-57.46	298.55	4.46	-53.00
O=C(CN1C=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587087	0	30	-1.0	-55.97	276.58	2.59	-53.38
O=C(CN1C=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587087	1	30	-1.0	-55.95	276.53	2.56	-53.39
CC1=NN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587088	0	31	-1.0	-58.22	271.34	-2.40	-60.62
CC1=NN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587088	1	31	-1.0	-58.22	271.39	-2.39	-60.61
CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCC1	REAL250004587089	0	39	-1.0	-51.10	296.94	4.77	-46.33
CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCC1	REAL250004587089	1	39	-1.0	-51.18	297.00	4.79	-46.39
O=C(COCC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587090	0	36	-1.0	-58.18	308.62	3.33	-54.85
O=C(COCC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587090	1	36	-1.0	-58.22	308.67	3.35	-54.87
N#CCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587091	0	36	-1.0	-58.96	304.66	4.52	-54.44
N#CCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587091	1	36	-1.0	-58.99	304.72	4.55	-54.44
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587092	0	39	-1.0	-51.57	316.45	5.82	-45.75
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587092	1	39	-1.0	-51.56	316.51	5.83	-45.73
O=C(CC1(C(F)(F)F)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587093	0	33	-1.0	-55.22	284.88	4.02	-51.20
O=C(CC1(C(F)(F)F)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587093	1	33	-1.0	-55.28	284.94	4.04	-51.24
CCOC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587094	0	37	-1.0	-50.01	300.74	2.89	-47.12
CCOC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587094	1	37	-1.0	-50.05	300.80	2.91	-47.14
O=C(COCC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587095	0	36	-1.0	-59.47	308.63	3.33	-56.14
O=C(COCC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587095	1	36	-1.0	-59.46	308.57	3.30	-56.16
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587096	0	37	-1.0	-54.45	311.63	3.82	-50.63
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587096	1	37	-1.0	-54.42	311.57	3.80	-50.62
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587097	0	36	-1.0	-52.30	301.18	4.18	-48.12
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587097	1	36	-1.0	-52.33	301.24	4.20	-48.13
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587098	0	34	-1.0	-57.65	289.72	3.95	-53.70
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587098	1	34	-1.0	-57.70	289.66	3.93	-53.77
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(=O)N1	REAL250004587099	0	31	-1.0	-48.82	259.81	-0.43	-49.25
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(=O)N1	REAL250004587099	1	31	-1.0	-48.79	259.87	-0.42	-49.21
CC1=NN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004587100	0	32	-1.0	-62.81	274.49	1.93	-60.88
CC1=NN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004587100	1	32	-1.0	-62.82	274.55	1.96	-60.86
O=C(C1CCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587101	0	31	-1.0	-51.33	253.59	-0.86	-52.19
O=C(C1CCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587101	1	31	-1.0	-51.37	253.65	-0.83	-52.20
O=C(C1=CC(C(F)F)=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004587102	0	30	-1.0	-50.91	266.69	1.31	-49.60
O=C(C1=CC(C(F)F)=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004587102	1	30	-1.0	-50.91	266.75	1.32	-49.59
O=C(C=CC1=NC=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004587104	0	31	-1.0	-53.80	270.62	2.09	-51.71
O=C(C=CC1=NC=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004587104	1	31	-1.0	-53.81	270.68	2.11	-51.70
CC(CC1=CNC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587105	0	36	-1.0	-54.74	293.42	3.21	-51.53
CC(CC1=CNC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587105	1	36	-1.0	-54.69	293.48	3.24	-51.45
CC(CC1=CN=CN1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587105	1	36	-1.0	-51.31	295.79	3.25	-48.06
O=C(CC1CCC(=O)NC1)N1CCCC1C1=N[N-]N=N1	REAL250004587106	0	37	-1.0	-55.45	296.09	0.95	-54.50
O=C(CC1CCC(=O)NC1)N1CCCC1C1=NN=N[N-]1	REAL250004587106	1	37	-1.0	-55.45	296.15	0.98	-54.47
O=C(COCC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587107	0	40	-1.0	-55.72	319.19	4.78	-50.94
O=C(COCC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587107	1	40	-1.0	-55.71	319.25	4.80	-50.91
O=C(CC1CC2CCC1O2)N1CCCC1C1=N[N-]N=N1	REAL250004587108	0	38	-1.0	-52.54	297.56	2.88	-49.66
O=C(CC1CC2CCC1O2)N1CCCC1C1=NN=N[N-]1	REAL250004587108	1	38	-1.0	-52.56	297.62	2.91	-49.65
O=C(C1CCN2C=CN=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587109	0	37	-1.0	-52.29	299.59	4.00	-48.29
O=C(C1CCN2C=CN=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587109	1	37	-1.0	-52.32	299.65	4.02	-48.30
CC1(C)CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587110	0	40	-1.0	-52.52	311.67	5.02	-47.50
CC1(C)CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587110	1	40	-1.0	-52.52	311.73	5.03	-47.49
CC1CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587111	0	37	-1.0	-53.05	296.03	4.64	-48.41
CC1CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587111	1	37	-1.0	-53.00	296.08	4.66	-48.34
CC(C(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587112	0	41	-1.0	-59.09	328.08	4.28	-54.81
CC(C(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587112	1	41	-1.0	-59.11	328.14	4.30	-54.81
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC1C1=N[N-]N=N1	REAL250004587113	0	35	-1.0	-56.57	274.59	2.02	-54.55
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC1C1=NN=N[N-]1	REAL250004587113	1	35	-1.0	-56.56	274.65	2.05	-54.51
CC(CC1=CN(C)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587114	0	39	-1.0	-54.04	320.85	3.61	-50.43
CC(CC1=CN(C)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587114	1	39	-1.0	-54.04	320.80	3.60	-50.44
CC(C)CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587115	0	41	-1.0	-51.87	322.87	5.29	-46.58
CC(C)CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587115	1	41	-1.0	-51.85	322.93	5.32	-46.53
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCC1C1=N[N-]N=N1	REAL250004587116	0	36	-1.0	-66.86	281.40	4.86	-62.00
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCC1C1=NN=N[N-]1	REAL250004587116	1	36	-1.0	-66.88	281.46	4.89	-61.99
CN1C(=O)CCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587117	0	37	-1.0	-49.84	301.39	2.45	-47.39
CN1C(=O)CCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587117	1	37	-1.0	-49.86	301.46	2.47	-47.39
O=C(CC1CC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587118	0	31	-1.0	-53.72	264.19	-1.38	-55.10
O=C(CC1CC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587118	1	31	-1.0	-53.75	264.24	-1.35	-55.10
O=C(C1CCOC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587119	0	32	-1.0	-59.34	266.35	-0.75	-60.09
O=C(C1CCOC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587119	1	32	-1.0	-59.37	266.41	-0.73	-60.10
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCC(=O)N1	REAL250004587120	0	37	-1.0	-62.50	294.45	1.03	-61.47
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCC(=O)N1	REAL250004587120	1	37	-1.0	-62.51	294.50	1.04	-61.47
O=C(C1=CSC(CO)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587121	0	30	-1.0	-56.14	272.01	-1.21	-57.35
O=C(C1=CSC(CO)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587121	1	30	-1.0	-56.14	272.07	-1.18	-57.32
O=C(CCC1=CNN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587122	0	33	-1.0	-52.03	280.54	1.97	-50.06
O=C(CCC1=CNN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587122	1	33	-1.0	-52.07	280.49	1.95	-50.12
CCC1=NN=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587123	0	31	-1.0	-49.08	278.28	1.70	-47.38
CCC1=NN=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587123	1	31	-1.0	-49.11	278.34	1.72	-47.39
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC=C1C#N	REAL250004587124	0	33	-1.0	-49.54	288.73	3.64	-45.90
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC=C1C#N	REAL250004587124	1	33	-1.0	-49.54	288.78	3.66	-45.88
CCC(CC(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587125	0	35	-1.0	-53.47	282.33	3.57	-49.90
CCC(CC(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587125	1	35	-1.0	-53.44	282.39	3.58	-49.86
CCC(C)(C)OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587126	0	39	-1.0	-56.01	305.00	3.81	-52.20
CCC(C)(C)OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587126	1	39	-1.0	-55.97	305.06	3.84	-52.13
CC(C)(C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587127	0	42	-1.0	-52.04	319.21	5.18	-46.86
CC(C)(C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587127	1	42	-1.0	-52.08	319.27	5.20	-46.88
NS(=O)(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587128	0	34	-1.0	-65.61	297.68	-2.56	-68.17
NS(=O)(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587128	1	34	-1.0	-65.65	297.74	-2.53	-68.18
O=C(C1=CN=C2C=CC=NN12)N1CCCC1C1=NN=N[N-]1	REAL250004587129	0	32	-1.0	-63.85	274.28	2.27	-61.58
O=C(C1=CN=C2C=CC=NN12)N1CCCC1C1=N[N-]N=N1	REAL250004587129	1	32	-1.0	-63.81	274.23	2.25	-61.56
CC1=NON=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587130	0	31	-1.0	-54.25	271.47	1.20	-53.05
CC1=NON=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587130	1	31	-1.0	-54.25	271.53	1.22	-53.03
CC1=CN(C)N=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587131	0	33	-1.0	-57.15	275.81	2.68	-54.47
CC1=CN(C)N=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587131	1	33	-1.0	-57.14	275.75	2.66	-54.48
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004587132	0	39	-1.0	-52.66	319.63	3.80	-48.86
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004587132	1	39	-1.0	-52.66	319.58	3.77	-48.89
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587133	0	37	-1.0	-53.06	306.25	5.97	-47.09
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587133	1	37	-1.0	-53.07	306.31	6.00	-47.07
CC1=CC=CC2=C1OC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL250004587134	0	38	-1.0	-57.74	313.88	5.48	-52.26
CC1=CC=CC2=C1OC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL250004587134	1	38	-1.0	-57.76	313.93	5.50	-52.26
O=C(C1=CN=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587135	0	29	-1.0	-48.95	262.30	2.30	-46.65
O=C(C1=CN=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587135	1	29	-1.0	-48.95	262.24	2.27	-46.68
O=C(CS(=O)(=O)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587136	0	33	-1.0	-68.77	291.43	0.45	-68.32
O=C(CS(=O)(=O)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587136	1	33	-1.0	-68.79	291.49	0.48	-68.31
O=C(C(O)C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587137	0	34	-1.0	-51.06	269.04	1.68	-49.38
O=C(C(O)C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587137	1	34	-1.0	-51.08	269.10	1.71	-49.37
CC(C)CC1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587138	0	40	-1.0	-54.81	319.60	4.65	-50.16
CC(C)CC1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587138	1	40	-1.0	-54.82	319.66	4.66	-50.16
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587139	0	38	-1.0	-58.06	318.15	3.13	-54.93
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587139	1	38	-1.0	-58.04	318.20	3.16	-54.88
CCC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587140	0	41	-1.0	-52.72	311.34	4.70	-48.02
CCC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587140	1	41	-1.0	-52.70	311.40	4.72	-47.98
O=C(C1=CC2=CC=CNC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587141	0	33	-1.0	-72.84	281.51	3.74	-69.10
O=C(C1=CC2=CC=CNC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587141	1	33	-1.0	-72.89	281.45	3.71	-69.18
CC(=O)C1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587142	0	31	-1.0	-49.32	282.36	1.28	-48.04
CC(=O)C1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587142	1	31	-1.0	-49.32	282.42	1.29	-48.03
O=C(C1=NN2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587143	0	37	-1.0	-57.00	299.07	3.60	-53.40
O=C(C1=NN2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587143	1	37	-1.0	-56.98	299.12	3.63	-53.35
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N(C)N=C1	REAL250004587144	0	33	-1.0	-51.37	281.80	2.22	-49.15
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N(C)N=C1	REAL250004587144	1	33	-1.0	-51.36	281.74	2.20	-49.16
COCC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587145	0	39	-1.0	-52.29	304.05	2.79	-49.50
COCC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587145	1	39	-1.0	-52.32	304.11	2.81	-49.51
CCCCCCOC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587146	0	45	-1.0	-56.27	355.10	5.62	-50.65
CCCCCCOC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587146	1	45	-1.0	-56.27	355.15	5.63	-50.64
O=C(C1CCC(F)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587147	0	36	-1.0	-51.36	286.97	4.17	-47.19
O=C(C1CCC(F)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587147	1	36	-1.0	-51.36	287.03	4.19	-47.17
CCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587148	0	35	-1.0	-54.24	290.77	4.11	-50.13
CCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587148	1	35	-1.0	-54.27	290.83	4.14	-50.13
O=C(CC1CC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587149	0	33	-1.0	-53.55	280.39	3.92	-49.63
O=C(CC1CC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587149	1	33	-1.0	-53.52	280.45	3.95	-49.57
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1C	REAL250004587150	0	35	-1.0	-54.73	287.14	3.87	-50.86
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1C	REAL250004587150	1	35	-1.0	-54.72	287.20	3.89	-50.83
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587151	0	34	-1.0	-52.66	289.68	3.10	-49.56
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587151	1	34	-1.0	-52.68	289.62	3.08	-49.60
C[C@]1(C(=O)N2CCCC2C2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL250004587152	0	40	-1.0	-55.96	320.12	6.16	-49.80
C[C@]1(C(=O)N2CCCC2C2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250004587152	1	40	-1.0	-55.95	320.18	6.17	-49.78
CC1=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL250004587153	0	35	-1.0	-51.07	304.69	3.20	-47.87
CC1=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL250004587153	1	35	-1.0	-51.06	304.75	3.23	-47.83
O=C(C1CCC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004587154	0	38	-1.0	-59.49	307.72	5.52	-53.97
O=C(C1CCC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004587154	1	38	-1.0	-59.47	307.77	5.53	-53.94
CCCN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL250004587155	0	40	-1.0	-54.12	323.63	3.21	-50.91
CCCN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL250004587155	1	40	-1.0	-54.14	323.69	3.24	-50.90
CC(OC1=CC=CC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587156	0	36	-1.0	-57.12	300.84	2.66	-54.46
CC(OC1=CC=CC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587156	1	36	-1.0	-57.16	300.79	2.63	-54.53
COC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL250004587157	0	34	-1.0	-54.02	289.51	0.21	-53.81
COC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL250004587157	1	34	-1.0	-53.97	289.45	0.19	-53.78
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587158	0	39	-1.0	-59.78	313.22	4.01	-55.77
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587158	1	39	-1.0	-59.81	313.28	4.04	-55.77
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL250004587159	0	29	-1.0	-48.29	257.79	2.77	-45.52
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL250004587159	1	29	-1.0	-48.28	257.85	2.80	-45.48
CC1=CC(Cl)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587160	0	32	-1.0	-48.07	281.81	2.79	-45.28
CC1=CC(Cl)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587160	1	32	-1.0	-48.10	281.87	2.81	-45.29
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587161	0	40	-1.0	-53.02	328.47	6.77	-46.25
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587161	1	40	-1.0	-52.99	328.53	6.79	-46.20
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587162	0	31	-1.0	-51.89	265.22	1.92	-49.97
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587162	1	31	-1.0	-51.91	265.28	1.94	-49.97
CCCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN1	REAL250004587163	0	37	-1.0	-56.30	298.15	3.63	-52.67
CCCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN1	REAL250004587163	1	37	-1.0	-56.29	298.21	3.64	-52.65
COC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587164	0	39	-1.0	-53.02	308.12	3.72	-49.30
COC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587164	1	39	-1.0	-53.05	308.18	3.74	-49.31
COCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587165	0	36	-1.0	-50.10	307.90	0.45	-49.65
COCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587165	1	36	-1.0	-50.11	307.84	0.42	-49.69
O=C(C1SCCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004587166	0	32	-1.0	-55.04	275.04	3.50	-51.54
O=C(C1SCCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004587166	1	32	-1.0	-55.06	275.10	3.53	-51.53
O=C(C1CCC2CC2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587167	0	37	-1.0	-52.39	283.52	4.53	-47.86
O=C(C1CCC2CC2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587167	1	37	-1.0	-52.40	283.57	4.56	-47.84
CC1=C(F)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587168	0	33	-1.0	-51.44	276.38	4.26	-47.18
CC1=C(F)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587168	1	33	-1.0	-51.45	276.44	4.28	-47.17
CN1C=NC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587169	0	34	-1.0	-55.18	288.69	4.28	-50.90
CN1C=NC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587169	1	34	-1.0	-55.21	288.75	4.29	-50.92
CC1=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004587170	0	33	-1.0	-57.79	291.35	2.95	-54.84
CC1=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004587170	1	33	-1.0	-57.77	291.41	2.97	-54.80
CN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL250004587171	0	37	-1.0	-52.30	292.68	1.90	-50.40
CN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL250004587171	1	37	-1.0	-52.29	292.73	1.92	-50.37
CCN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL250004587172	0	40	-1.0	-52.09	314.22	2.88	-49.21
CCN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL250004587172	1	40	-1.0	-52.05	314.27	2.91	-49.14
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004587173	0	36	-1.0	-49.23	296.24	3.14	-46.09
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004587173	1	36	-1.0	-49.23	296.19	3.11	-46.12
C=CC(=O)N(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587174	0	34	-1.0	-55.57	288.45	2.24	-53.33
C=CC(=O)N(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587174	1	34	-1.0	-55.58	288.51	2.27	-53.31
O=C(CC1CS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587175	0	33	-1.0	-59.72	286.01	-0.36	-60.08
O=C(CC1CS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587175	1	33	-1.0	-59.72	286.07	-0.33	-60.05
COC1=NSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587176	0	30	-1.0	-48.51	270.18	-0.58	-49.09
COC1=NSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587176	1	30	-1.0	-48.55	270.13	-0.60	-49.15
CC1=C2OC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=CC=C1	REAL250004587177	0	36	-1.0	-56.67	303.09	4.75	-51.92
CC1=C2OC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=CC=C1	REAL250004587177	1	36	-1.0	-56.70	303.04	4.74	-51.96
O=C(C(F)=C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587178	0	31	-1.0	-49.33	260.96	3.62	-45.71
O=C(C(F)=C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587178	1	31	-1.0	-49.31	261.01	3.65	-45.66
CNC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587179	0	33	-1.0	-54.55	278.28	0.53	-54.02
CNC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587179	1	33	-1.0	-54.57	278.22	0.51	-54.06
CC1CCCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587180	0	39	-1.0	-52.82	299.16	4.59	-48.23
CC1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587180	1	39	-1.0	-52.82	299.22	4.61	-48.21
C=CCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587181	0	36	-1.0	-50.27	308.53	2.70	-47.57
C=CCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587181	1	36	-1.0	-50.24	308.48	2.67	-47.57
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587182	0	34	-1.0	-52.37	289.67	3.13	-49.24
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587182	1	34	-1.0	-52.40	289.61	3.10	-49.30
NC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587183	0	31	-1.0	-65.19	269.68	3.09	-62.10
NC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587183	1	31	-1.0	-65.17	269.63	3.07	-62.10
O=C(C1CCCC(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587184	0	36	-1.0	-54.31	282.43	4.01	-50.30
O=C(C1CCCC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587184	1	36	-1.0	-54.33	282.49	4.03	-50.30
CN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)NC1=O	REAL250004587185	0	33	-1.0	-59.25	276.55	-0.65	-59.90
CN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)NC1=O	REAL250004587185	1	33	-1.0	-59.30	276.61	-0.62	-59.92
CC1=C(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587186	0	40	-1.0	-51.81	305.84	5.06	-46.75
CC1=C(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587186	1	40	-1.0	-51.81	305.90	5.07	-46.74
O=C(C1=CN2CCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587187	0	34	-1.0	-57.99	281.02	4.03	-53.96
O=C(C1=CN2CCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587187	1	34	-1.0	-58.04	281.08	4.05	-53.99
CON1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587188	0	39	-1.0	-51.05	311.12	1.90	-49.15
CON1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587188	1	39	-1.0	-51.05	311.18	1.92	-49.13
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=NC=C1	REAL250004587190	0	35	-1.0	-53.39	288.47	3.28	-50.11
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=NC=C1	REAL250004587190	1	35	-1.0	-53.40	288.52	3.30	-50.10
O=C(C1CC2(CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587191	0	37	-1.0	-52.02	294.24	4.78	-47.24
O=C(C1CC2(CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587191	1	37	-1.0	-52.06	294.29	4.80	-47.26
COC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587192	0	33	-1.0	-56.39	278.28	2.09	-54.30
COC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587192	1	33	-1.0	-56.40	278.22	2.06	-54.34
CCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587193	0	33	-1.0	-56.89	278.61	2.85	-54.04
CCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587193	1	33	-1.0	-56.92	278.55	2.83	-54.09
O=C(C=CC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587194	0	37	-1.0	-52.62	297.23	4.91	-47.71
O=C(C=CC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587194	1	37	-1.0	-52.64	297.28	4.93	-47.71
O=C(C1=CN2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587195	0	38	-1.0	-57.18	300.84	4.88	-52.30
O=C(C1=CN2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587195	1	38	-1.0	-57.18	300.89	4.89	-52.29
CCNC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004587197	0	34	-1.0	-52.55	297.83	2.38	-50.17
CCNC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004587197	1	34	-1.0	-52.55	297.77	2.35	-50.20
COCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587198	0	37	-1.0	-51.06	302.38	2.90	-48.16
COCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587198	1	37	-1.0	-51.04	302.43	2.93	-48.11
O=C(C1CCC2=NC=NC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587199	0	38	-1.0	-51.58	304.04	4.03	-47.55
O=C(C1CCC2=NC=NC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587199	1	38	-1.0	-51.59	304.10	4.06	-47.53
CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1(F)Cl	REAL250004587200	0	33	-1.0	-46.74	289.48	4.26	-42.48
CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1(F)Cl	REAL250004587200	1	33	-1.0	-46.75	289.54	4.29	-42.46
O=C(CC1=C2C=CC=CN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587201	0	36	-1.0	-60.25	307.04	4.49	-55.76
O=C(CC1=C2C=CC=CN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587201	1	36	-1.0	-60.20	306.98	4.47	-55.73
CC(C)CN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587202	0	39	-1.0	-51.11	310.46	3.80	-47.31
CC(C)CN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587202	1	39	-1.0	-51.11	310.40	3.78	-47.33
O=C(C1=NN2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587203	0	35	-1.0	-56.58	289.97	1.20	-55.38
O=C(C1=NN2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587203	1	35	-1.0	-56.55	290.03	1.23	-55.32
CC(C)=CCCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587204	0	45	-1.0	-51.39	349.47	6.47	-44.92
CC(C)=CCCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587204	1	45	-1.0	-51.38	349.53	6.50	-44.88
CN1C=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587205	0	33	-1.0	-59.19	281.27	2.44	-56.75
CN1C=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587205	1	33	-1.0	-59.19	281.33	2.46	-56.73
O=C(C1=CC=CC2=CC=NC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587206	0	35	-1.0	-57.07	291.13	4.10	-52.97
O=C(C1=CC=CC2=CC=NC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587206	1	35	-1.0	-57.07	291.07	4.08	-52.99
C=CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587207	0	33	-1.0	-51.14	287.03	1.94	-49.20
C=CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587207	1	33	-1.0	-51.14	286.97	1.91	-49.23
O=C(C1=CN(C2CCC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587208	0	36	-1.0	-51.10	296.14	2.40	-48.70
O=C(C1=CN(C2CCC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587208	1	36	-1.0	-51.11	296.08	2.37	-48.74
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587209	0	42	-1.0	-52.92	329.10	5.58	-47.34
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587209	1	42	-1.0	-52.95	329.16	5.60	-47.35
O=C(C1CS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587210	0	30	-1.0	-56.07	264.56	-1.14	-57.21
O=C(C1CS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587210	1	30	-1.0	-56.11	264.62	-1.12	-57.23
O=C(C1CCCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587211	0	34	-1.0	-67.41	276.98	0.85	-66.56
O=C(C1CCCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587211	1	34	-1.0	-67.46	277.03	0.87	-66.59
CN1C(=O)NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587212	0	31	-1.0	-55.13	259.65	0.30	-54.83
CN1C(=O)NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587212	1	31	-1.0	-55.12	259.71	0.31	-54.81
O=C(CC1CSC1)N1CCCC1C1=N[N-]N=N1	REAL250004587213	0	31	-1.0	-53.55	267.02	3.36	-50.19
O=C(CC1CSC1)N1CCCC1C1=NN=N[N-]1	REAL250004587213	1	31	-1.0	-53.52	267.07	3.39	-50.13
COC1=NN(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587214	0	34	-1.0	-61.03	289.32	-0.66	-61.69
COC1=NN(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587214	1	34	-1.0	-61.04	289.26	-0.68	-61.72
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587215	0	31	-1.0	-50.57	277.67	2.86	-47.71
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587215	1	31	-1.0	-50.58	277.73	2.87	-47.71
CC1=NN(C(C)C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587216	0	39	-1.0	-53.73	314.71	3.36	-50.37
CC1=NN(C(C)C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587216	1	39	-1.0	-53.68	314.77	3.38	-50.30
O=C(C1=CC=C(C(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587217	0	32	-1.0	-50.16	280.03	2.63	-47.53
O=C(C1=CC=C(C(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587217	1	32	-1.0	-50.17	280.09	2.66	-47.51
CC(C)(C)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587219	0	42	-1.0	-55.03	326.86	5.87	-49.16
CC(C)(C)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587219	1	42	-1.0	-55.01	326.91	5.89	-49.12
O=C(C1=CC=CC(C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587220	0	37	-1.0	-54.88	299.90	5.64	-49.24
O=C(C1=CC=CC(C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587220	1	37	-1.0	-54.88	299.95	5.67	-49.21
CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1C	REAL250004587221	0	36	-1.0	-67.80	308.87	2.94	-64.86
CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1C	REAL250004587221	1	36	-1.0	-67.77	308.93	2.96	-64.81
O=C(CC1OCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587222	0	38	-1.0	-58.56	313.40	4.71	-53.85
O=C(CC1OCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587222	1	38	-1.0	-58.56	313.46	4.73	-53.83
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587223	0	31	-1.0	-50.27	268.84	2.37	-47.90
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587223	1	31	-1.0	-50.28	268.90	2.39	-47.89
O=C(CCC1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587224	0	45	-1.0	-51.55	333.33	6.04	-45.51
O=C(CCC1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587224	1	45	-1.0	-51.53	333.39	6.07	-45.46
O=C(C1CCCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL250004587225	0	33	-1.0	-68.12	277.54	0.79	-67.33
O=C(C1CCCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL250004587225	1	33	-1.0	-68.12	277.60	0.82	-67.30
CC(C)(C)N1CCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587226	1	41	-1.0	-48.83	285.06	0.55	-48.28
CC(C)(C)N1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587226	1	41	-1.0	-48.85	285.12	0.56	-48.29
O=C(CC1=CC=CN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587227	0	32	-1.0	-58.73	288.23	3.26	-55.47
O=C(CC1=CC=CN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587227	1	32	-1.0	-58.71	288.18	3.23	-55.48
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC=N1	REAL250004587229	0	33	-1.0	-54.50	270.98	3.02	-51.48
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC=N1	REAL250004587229	1	33	-1.0	-54.53	271.04	3.03	-51.50
CC1=CN=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CN12	REAL250004587230	0	36	-1.0	-42.20	292.45	4.12	-38.08
CC1=CN=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CN12	REAL250004587230	1	36	-1.0	-42.18	292.50	4.12	-38.06
CN1C(Cl)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587231	0	30	-1.0	-48.82	265.74	2.48	-46.34
CN1C(Cl)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587231	1	30	-1.0	-48.80	265.69	2.46	-46.34
CN1C(=O)CSC1=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587232	0	33	-1.0	-52.81	287.94	2.44	-50.37
CN1C(=O)CSC1=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587232	1	33	-1.0	-52.84	288.00	2.45	-50.39
CC1=CC=CC2=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N21	REAL250004587233	0	36	-1.0	-55.15	288.01	4.51	-50.64
CC1=CC=CC2=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N21	REAL250004587233	1	36	-1.0	-55.13	287.95	4.49	-50.64
CC(=CC1=CC=NC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587234	0	36	-1.0	-53.65	290.75	3.59	-50.06
CC(=CC1=CC=NC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587234	1	36	-1.0	-53.63	290.81	3.60	-50.03
CC(=CC1=CC=CC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587235	0	36	-1.0	-53.82	293.11	4.54	-49.28
CC(=CC1=CC=CC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587235	1	36	-1.0	-53.84	293.16	4.56	-49.28
CC(=CC1=CC=CN=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587236	0	36	-1.0	-51.94	301.54	3.87	-48.07
CC(=CC1=CC=CN=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587236	1	36	-1.0	-51.91	301.59	3.88	-48.03
CC(=CC1=CC=CO1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587237	0	34	-1.0	-53.57	277.83	3.71	-49.86
CC(=CC1=CC=CO1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587237	1	34	-1.0	-53.59	277.89	3.73	-49.86
O=C(C1=COC(CO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587238	0	31	-1.0	-53.80	266.54	-0.87	-54.67
O=C(C1=COC(CO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587238	1	31	-1.0	-53.80	266.60	-0.86	-54.66
C[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587239	0	39	-1.0	-51.90	301.62	4.73	-47.17
C[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587239	1	39	-1.0	-51.91	301.68	4.74	-47.17
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587240	0	35	-1.0	-53.59	292.65	4.03	-49.56
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587240	1	35	-1.0	-53.54	292.71	4.06	-49.48
O=C(C1=C2NC=NC2=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587242	0	32	-1.0	-45.75	263.96	1.03	-44.72
O=C(C1=CNC=C2N=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587242	1	32	-1.0	-68.18	280.19	1.87	-66.31
O=C(C1=C2NC=NC2=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587242	1	32	-1.0	-45.75	263.90	1.04	-44.71
O=C(C1=CNC=C2N=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587242	1	32	-1.0	-68.14	280.13	1.85	-66.29
O=C(CNC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587243	0	34	-1.0	-55.06	286.91	2.03	-53.03
O=C(CNC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587243	1	34	-1.0	-55.05	286.97	2.06	-52.99
O=C(C1CCS(=O)(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587244	0	32	-1.0	-64.39	274.60	-2.87	-67.26
O=C(C1CCS(=O)(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587244	1	32	-1.0	-64.39	274.65	-2.84	-67.23
O=C(C=CC1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587245	0	43	-1.0	-52.17	327.01	5.96	-46.21
O=C(C=CC1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587245	1	43	-1.0	-52.20	327.07	5.98	-46.22
O=C(C1CCC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587246	0	40	-1.0	-52.32	314.40	6.05	-46.27
O=C(C1CCC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587246	1	40	-1.0	-52.37	314.46	6.08	-46.29
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587247	0	37	-1.0	-53.76	299.40	5.16	-48.60
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587247	1	37	-1.0	-53.80	299.46	5.19	-48.61
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCC1C1=N[N-]N=N1	REAL250004587248	0	38	-1.0	-55.16	289.34	4.79	-50.37
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCC1C1=NN=N[N-]1	REAL250004587248	1	38	-1.0	-55.13	289.39	4.82	-50.31
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004587249	0	36	-1.0	-48.84	296.79	4.60	-44.24
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004587249	1	36	-1.0	-48.85	296.85	4.63	-44.22
CCN1C=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587250	0	36	-1.0	-62.85	302.79	3.29	-59.56
CCN1C=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587250	1	36	-1.0	-62.79	302.84	3.32	-59.47
CSC1=CC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587251	0	33	-1.0	-57.37	283.45	3.73	-53.64
CSC1=CC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587251	1	33	-1.0	-57.34	283.39	3.72	-53.62
CSC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587252	0	33	-1.0	-52.16	286.89	3.72	-48.44
CSC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587252	1	33	-1.0	-52.16	286.84	3.69	-48.47
CCC1=NOC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587253	0	32	-1.0	-52.37	268.14	2.48	-49.89
CCC1=NOC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587253	1	32	-1.0	-52.39	268.20	2.50	-49.89
O=C(C1CC1C1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587254	0	40	-1.0	-53.42	310.50	5.79	-47.63
O=C(C1CC1C1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587254	1	40	-1.0	-53.49	310.56	5.81	-47.68
COC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004587255	0	33	-1.0	-49.90	287.31	2.56	-47.34
COC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004587255	1	33	-1.0	-49.88	287.37	2.58	-47.30
CSCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587256	0	37	-1.0	-50.23	311.65	4.81	-45.42
CSCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587256	1	37	-1.0	-50.19	311.70	4.83	-45.36
NC(=O)C1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587257	0	33	-1.0	-74.20	292.15	-0.50	-74.70
NC(=O)C1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587257	1	33	-1.0	-74.17	292.10	-0.53	-74.70
CC(C)(C)N1N=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587258	0	37	-1.0	-52.91	308.84	1.93	-50.98
CC(C)(C)N1N=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587258	1	37	-1.0	-52.88	308.79	1.92	-50.96
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C#N	REAL250004587259	0	35	-1.0	-52.16	300.38	3.26	-48.90
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C#N	REAL250004587259	1	35	-1.0	-52.14	300.44	3.28	-48.86
CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=CN2C=C1	REAL250004587260	0	36	-1.0	-63.98	301.32	6.39	-57.59
CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=CN2C=C1	REAL250004587260	1	36	-1.0	-63.95	301.26	6.38	-57.57
N#CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL250004587261	0	40	-1.0	-57.77	311.94	4.64	-53.13
N#CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL250004587261	1	40	-1.0	-57.80	312.00	4.68	-53.12
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)(C)C	REAL250004587262	0	39	-1.0	-51.30	302.43	4.61	-46.69
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)(C)C	REAL250004587262	1	39	-1.0	-51.32	302.49	4.64	-46.68
COC1=NOC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587263	0	36	-1.0	-49.87	308.57	1.05	-48.82
COC1=NOC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587263	1	36	-1.0	-49.84	308.63	1.08	-48.76
O=C(C1=C2C=CNC2=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587264	0	32	-1.0	-55.20	272.99	3.61	-51.59
O=C(C1=C2C=CNC2=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587264	1	32	-1.0	-55.18	272.93	3.59	-51.59
CN1C=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587265	0	33	-1.0	-56.41	289.01	1.69	-54.72
CN1C=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587265	1	33	-1.0	-56.44	289.07	1.72	-54.72
CNC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004587266	0	31	-1.0	-53.31	276.35	1.55	-51.76
CNC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004587266	1	31	-1.0	-53.29	276.29	1.52	-51.77
O=C(CN1C=C(C2CC2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587267	0	37	-1.0	-62.19	310.81	4.21	-57.98
O=C(CN1C=C(C2CC2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587267	1	37	-1.0	-62.24	310.75	4.19	-58.05
O=C(C1=CC=CC2=C1COCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587268	0	38	-1.0	-54.91	302.43	3.62	-51.29
O=C(C1=CC=CC2=C1COCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587268	1	38	-1.0	-54.90	302.49	3.63	-51.27
O=C(C1CC2(CC2(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587269	0	34	-1.0	-51.13	291.03	4.47	-46.66
O=C(C1CC2(CC2(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587269	1	34	-1.0	-51.14	291.08	4.49	-46.65
O=C(C(CO)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587270	0	37	-1.0	-53.60	301.69	1.55	-52.05
O=C(C(CO)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587270	1	37	-1.0	-53.59	301.74	1.58	-52.01
CC(C)(O)C(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587271	0	34	-1.0	-53.38	267.16	-1.79	-55.17
CC(C)(O)C(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587271	1	34	-1.0	-53.39	267.22	-1.79	-55.18
CCC(O)C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587272	0	36	-1.0	-55.95	280.24	1.26	-54.69
CCC(O)C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587272	1	36	-1.0	-55.92	280.30	1.28	-54.64
CCC1=CNC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587273	0	36	-1.0	-64.25	301.22	2.75	-61.50
CCC1=CNC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587273	1	36	-1.0	-64.29	301.27	2.77	-61.52
O=C(C1=NN2C=CC=NC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587274	0	31	-1.0	-63.84	272.52	4.61	-59.23
O=C(C1=NN2C=CC=NC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587274	1	31	-1.0	-63.85	272.46	4.58	-59.27
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004587275	0	34	-1.0	-50.74	287.82	4.01	-46.73
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004587275	1	34	-1.0	-50.78	287.87	4.03	-46.75
CC1=NNC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL250004587276	0	36	-1.0	-41.74	293.63	2.34	-39.40
CC1=NNC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL250004587276	1	36	-1.0	-41.74	293.57	2.34	-39.40
CC1=CC=NC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587277	0	35	-1.0	-55.25	291.54	3.43	-51.82
CC1=CC=NC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587277	1	35	-1.0	-55.25	291.59	3.46	-51.79
O=C(C1=CC=NN1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587278	0	30	-1.0	-56.91	261.21	1.60	-55.31
O=C(C1=CC=NN1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587278	1	30	-1.0	-56.92	261.16	1.57	-55.35
CC1=NN(C(C)CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587279	0	39	-1.0	-54.45	318.13	3.69	-50.76
CC1=NN(C(C)CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587279	1	39	-1.0	-54.43	318.19	3.72	-50.71
O=C(C1CCCC2CC21)N1CCCC1C1=N[N-]N=N1	REAL250004587280	0	37	-1.0	-54.19	282.49	4.50	-49.69
O=C(C1CCCC2CC21)N1CCCC1C1=NN=N[N-]1	REAL250004587280	1	37	-1.0	-54.19	282.55	4.53	-49.66
O=C(CCCC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587281	0	38	-1.0	-55.30	316.97	4.47	-50.83
O=C(CCCC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587281	1	38	-1.0	-55.27	317.03	4.50	-50.77
O=C(C1=CC=C(CF)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587282	0	33	-1.0	-54.05	279.28	4.40	-49.65
O=C(C1=CC=C(CF)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587282	1	33	-1.0	-54.06	279.33	4.42	-49.64
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCOC1	REAL250004587283	0	38	-1.0	-59.07	300.95	1.67	-57.40
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCOC1	REAL250004587283	1	38	-1.0	-59.10	301.01	1.70	-57.40
O=C(C1=CC=C2COCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587284	0	38	-1.0	-42.16	298.04	3.14	-39.02
O=C(C1=CC=C2COCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587284	1	38	-1.0	-42.16	298.11	3.13	-39.03
O=C(CCC1CC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587285	0	33	-1.0	-55.13	284.40	4.16	-50.97
O=C(CCC1CC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587285	1	33	-1.0	-55.15	284.46	4.19	-50.96
COCCCOCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587286	0	40	-1.0	-50.58	329.96	1.60	-48.98
COCCCOCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587286	1	40	-1.0	-50.59	330.01	1.62	-48.97
COCC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587287	0	36	-1.0	-52.23	300.65	1.50	-50.73
COCC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587287	1	36	-1.0	-52.19	300.59	1.48	-50.71
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)OC=C1	REAL250004587288	0	33	-1.0	-55.92	280.54	3.44	-52.48
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)OC=C1	REAL250004587288	1	33	-1.0	-55.93	280.60	3.47	-52.46
O=C(C1=CN=C2CCCN12)N1CCCC1C1=N[N-]N=N1	REAL250004587289	0	34	-1.0	-56.45	277.72	3.11	-53.34
O=C(C1=CN=C2CCCN12)N1CCCC1C1=NN=N[N-]1	REAL250004587289	1	34	-1.0	-56.48	277.78	3.13	-53.35
CC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(N)=N1	REAL250004587290	0	33	-1.0	-48.33	274.69	0.50	-47.83
CC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(N)=N1	REAL250004587290	1	33	-1.0	-48.32	274.75	0.51	-47.81
O=C(C1=C2CCCCN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587292	0	38	-1.0	-58.15	301.93	4.92	-53.23
O=C(C1=C2CCCCN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587292	1	38	-1.0	-58.15	301.98	4.94	-53.21
CCNC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587293	0	34	-1.0	-54.36	295.62	1.53	-52.83
CCNC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587293	1	34	-1.0	-54.34	295.56	1.51	-52.83
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587294	0	37	-1.0	-52.43	300.51	5.69	-46.74
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587294	1	37	-1.0	-52.42	300.57	5.71	-46.71
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCC1	REAL250004587295	0	40	-1.0	-53.53	311.25	4.33	-49.20
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCC1	REAL250004587295	1	40	-1.0	-53.53	311.31	4.35	-49.18
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587296	0	40	-1.0	-54.29	324.32	6.50	-47.79
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587296	1	40	-1.0	-54.28	324.38	6.53	-47.75
O=C(C1CC2=CC=CC=C2CO1)N1CCCC1C1=N[N-]N=N1	REAL250004587297	0	38	-1.0	-56.35	307.32	4.97	-51.38
O=C(C1CC2=CC=CC=C2CO1)N1CCCC1C1=NN=N[N-]1	REAL250004587297	1	38	-1.0	-56.34	307.38	4.99	-51.35
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL250004587298	0	43	-1.0	-53.54	328.74	4.91	-48.63
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL250004587298	1	43	-1.0	-53.56	328.79	4.92	-48.64
CC(CC1=CC=CO1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587299	0	36	-1.0	-51.23	292.96	3.78	-47.45
CC(CC1=CC=CO1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587299	1	36	-1.0	-51.27	293.01	3.80	-47.47
CC1CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL250004587300	0	38	-1.0	-44.01	302.08	3.69	-40.32
CC1CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL250004587300	1	38	-1.0	-43.99	302.14	3.67	-40.32
O=C(C1CC2(C1)CCCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587301	0	43	-1.0	-52.39	324.82	5.82	-46.57
O=C(C1CC2(C1)CCCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587301	1	43	-1.0	-52.40	324.87	5.85	-46.55
COCC1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587302	0	34	-1.0	-55.56	296.83	2.20	-53.36
COCC1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587302	1	34	-1.0	-55.55	296.89	2.23	-53.32
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587303	0	37	-1.0	-57.70	286.97	3.62	-54.08
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587303	1	37	-1.0	-57.74	287.03	3.63	-54.11
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCO1	REAL250004587304	0	40	-1.0	-53.33	310.30	3.24	-50.09
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCO1	REAL250004587304	1	40	-1.0	-53.32	310.36	3.27	-50.05
O=C(C1=NOC2=C1COCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587305	0	34	-1.0	-51.67	283.47	1.80	-49.87
O=C(C1=NOC2=C1COCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587305	1	34	-1.0	-51.66	283.53	1.82	-49.84
CC1=CN2C=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=N1	REAL250004587306	0	36	-1.0	-42.10	292.13	4.22	-37.88
CC1=CN2C=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=N1	REAL250004587306	1	36	-1.0	-42.10	292.20	4.22	-37.88
O=C(C1=CN(C2CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587307	0	33	-1.0	-50.95	282.49	2.05	-48.90
O=C(C1=CN(C2CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587307	1	33	-1.0	-50.95	282.43	2.03	-48.92
CNC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL250004587308	0	35	-1.0	-55.30	291.00	2.44	-52.86
CNC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL250004587308	1	35	-1.0	-55.28	291.06	2.46	-52.82
O=C(C1CCC2C(C1)C2(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587309	0	37	-1.0	-56.44	297.07	4.76	-51.68
O=C(C1CCC2C(C1)C2(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587309	1	37	-1.0	-56.45	297.13	4.77	-51.68
O=C(COCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587310	0	30	-1.0	-62.13	266.90	2.33	-59.80
O=C(COCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587310	1	30	-1.0	-62.15	266.96	2.36	-59.79
COC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587311	0	30	-1.0	-49.93	263.50	-1.31	-51.24
COC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587311	1	30	-1.0	-49.93	263.44	-1.34	-51.27
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587312	0	40	-1.0	-50.15	319.68	3.48	-46.67
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587312	1	40	-1.0	-50.15	319.74	3.50	-46.65
O=C(C1=NC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587313	0	29	-1.0	-59.51	253.12	2.84	-56.67
O=C(C1=NC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587313	1	29	-1.0	-59.49	253.06	2.81	-56.68
CC1=CC=CC=C1CC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587314	0	42	-1.0	-51.91	327.54	6.07	-45.84
CC1=CC=CC=C1CC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587314	1	42	-1.0	-51.89	327.60	6.10	-45.79
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004587315	0	33	-1.0	-49.85	288.39	3.79	-46.06
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004587315	1	33	-1.0	-49.85	288.45	3.81	-46.04
CC(C)C1=NC=CN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587316	0	39	-1.0	-56.41	321.84	4.52	-51.89
CC(C)C1=NC=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587316	1	39	-1.0	-56.43	321.90	4.55	-51.88
O=C(C1CN(C2CCOC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587317	0	40	-1.0	-52.09	316.98	-0.22	-52.31
O=C(C1CN(C2CCOC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587317	1	40	-1.0	-52.13	317.03	-0.21	-52.34
COCC(OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587318	0	34	-1.0	-53.07	281.37	0.78	-52.29
COCC(OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587318	1	34	-1.0	-53.04	281.43	0.81	-52.23
O=C(C1=CN=C2COCCN12)N1CCCC1C1=N[N-]N=N1	REAL250004587319	0	35	-1.0	-52.43	283.57	1.26	-51.17
O=C(C1=CN=C2COCCN12)N1CCCC1C1=NN=N[N-]1	REAL250004587319	1	35	-1.0	-52.45	283.62	1.28	-51.17
N#CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCOCC1	REAL250004587320	0	38	-1.0	-62.96	303.49	2.32	-60.64
N#CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCOCC1	REAL250004587320	1	38	-1.0	-62.95	303.55	2.34	-60.61
CN1CCC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587321	1	35	-1.0	-55.01	277.89	0.86	-54.15
CN1CCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587321	1	35	-1.0	-55.06	277.95	0.88	-54.18
CN1CCC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587322	1	35	-1.0	-55.02	279.22	1.15	-53.87
CN1CCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587322	1	35	-1.0	-55.03	279.28	1.17	-53.86
O=C(C1=CN=C(C2CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587323	0	33	-1.0	-50.77	283.72	1.18	-49.59
O=C(C1=CN=C(C2CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587323	1	33	-1.0	-50.78	283.77	1.20	-49.58
CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)O1	REAL250004587325	0	32	-1.0	-63.54	283.55	-0.51	-64.05
CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)O1	REAL250004587325	1	32	-1.0	-63.57	283.61	-0.49	-64.06
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004587326	0	36	-1.0	-50.77	298.06	4.15	-46.62
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004587326	1	36	-1.0	-50.78	298.12	4.16	-46.62
O=C(C1C2CCCCCCC21)N1CCCC1C1=N[N-]N=N1	REAL250004587327	0	43	-1.0	-54.81	312.62	5.64	-49.17
O=C(C1C2CCCCCCC21)N1CCCC1C1=NN=N[N-]1	REAL250004587327	1	43	-1.0	-54.86	312.68	5.65	-49.21
O=C(C1=CC2=NN=NN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587328	0	31	-1.0	-36.13	260.45	1.20	-34.93
O=C(C1=CC2=NN=NN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587328	1	31	-1.0	-36.10	260.38	1.19	-34.91
O=C(C1CCC(C2CC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587329	0	43	-1.0	-55.62	320.22	5.83	-49.79
O=C(C1CCC(C2CC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587329	1	43	-1.0	-55.65	320.27	5.86	-49.79
CCCC(OCC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587331	0	39	-1.0	-54.62	309.97	4.01	-50.61
CCCC(OCC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587331	1	39	-1.0	-54.59	310.02	4.03	-50.56
COC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587332	0	34	-1.0	-51.64	278.79	1.92	-49.72
COC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587332	1	34	-1.0	-51.66	278.84	1.95	-49.71
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC1C1=N[N-]N=N1	REAL250004587333	0	38	-1.0	-54.02	304.92	6.38	-47.64
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC1C1=NN=N[N-]1	REAL250004587333	1	38	-1.0	-54.04	304.98	6.41	-47.63
CCOC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004587334	0	37	-1.0	-57.47	298.25	4.08	-53.39
CCOC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004587334	1	37	-1.0	-57.44	298.30	4.11	-53.33
CSC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587335	0	34	-1.0	-51.02	296.96	3.90	-47.12
CSC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587335	1	34	-1.0	-51.03	297.02	3.92	-47.11
O=C(C=CC1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587336	0	31	-1.0	-52.74	278.36	4.23	-48.51
O=C(C=CC1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587336	1	31	-1.0	-52.72	278.42	4.25	-48.47
CC(C)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587337	0	39	-1.0	-54.88	310.88	5.45	-49.43
CC(C)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587337	1	39	-1.0	-54.86	310.94	5.48	-49.38
O=C(C1=CN(C2CC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587338	0	34	-1.0	-52.93	284.43	2.91	-50.02
O=C(C1=CN(C2CC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587338	1	34	-1.0	-52.93	284.37	2.89	-50.04
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=NC=C1	REAL250004587339	0	38	-1.0	-51.88	309.47	4.15	-47.73
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=NC=C1	REAL250004587339	1	38	-1.0	-51.91	309.53	4.17	-47.74
O=C([C@@H]1COC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587340	0	29	-1.0	-57.58	250.49	-1.82	-59.40
O=C([C@@H]1COC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587340	1	29	-1.0	-57.61	250.54	-1.79	-59.40
O=C(CC1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587341	0	29	-1.0	-54.93	262.73	1.85	-53.08
O=C(CC1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587341	1	29	-1.0	-54.92	262.79	1.87	-53.05
O=C(CN1C=CC(C(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587342	0	33	-1.0	-61.42	294.06	2.90	-58.52
O=C(CN1C=CC(C(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587342	1	33	-1.0	-61.43	294.11	2.92	-58.51
CC1=CN2C=CN=C2C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587343	0	36	-1.0	-60.69	308.03	5.17	-55.52
CC1=CN2C=CN=C2C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587343	1	36	-1.0	-60.64	308.09	5.18	-55.46
O=C(C1CCCC2(CC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587344	0	40	-1.0	-53.24	307.57	5.21	-48.03
O=C(C1CCCC2(CC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587344	1	40	-1.0	-53.23	307.62	5.23	-48.00
CCCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587345	0	36	-1.0	-51.08	292.59	3.02	-48.06
CCCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587345	1	36	-1.0	-51.11	292.54	3.00	-48.11
CC1=CN=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587346	0	33	-1.0	-56.62	281.21	4.23	-52.39
CC1=CN=CN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587346	1	33	-1.0	-56.65	281.16	4.21	-52.44
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587347	0	37	-1.0	-54.05	299.22	3.60	-50.45
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587347	1	37	-1.0	-54.05	299.29	3.61	-50.44
CCC1=CNC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587348	0	36	-1.0	-65.14	306.75	2.23	-62.91
CCC1=CNC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587348	1	36	-1.0	-65.18	306.81	2.24	-62.94
O=C(C(O)CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587349	0	37	-1.0	-52.13	306.23	3.20	-48.93
O=C(C(O)CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587349	1	37	-1.0	-52.08	306.29	3.21	-48.87
CN1N=CC(Cl)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587350	0	30	-1.0	-51.56	277.19	2.08	-49.48
CN1N=CC(Cl)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587350	1	30	-1.0	-51.54	277.13	2.06	-49.48
CC1=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1	REAL250004587351	0	39	-1.0	-53.63	322.06	5.99	-47.64
CC1=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1	REAL250004587351	1	39	-1.0	-53.62	322.11	6.01	-47.61
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587352	0	34	-1.0	-51.27	287.30	1.27	-50.00
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587352	1	34	-1.0	-51.30	287.36	1.28	-50.02
CCN1N=CC(Cl)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587353	0	33	-1.0	-47.74	298.98	2.95	-44.79
CCN1N=CC(Cl)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587353	1	33	-1.0	-47.75	298.92	2.94	-44.81
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCC1	REAL250004587354	0	37	-1.0	-55.88	293.47	3.75	-52.13
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCC1	REAL250004587354	1	37	-1.0	-55.88	293.53	3.77	-52.11
CCCCC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004587355	0	44	-1.0	-52.01	327.27	5.28	-46.73
CCCCC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004587355	1	44	-1.0	-52.01	327.32	5.29	-46.72
CCN1C=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587356	0	33	-1.0	-56.24	278.96	4.61	-51.63
CCN1C=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587356	1	33	-1.0	-56.27	278.90	4.59	-51.68
O=C(C1CCC2(CC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587357	0	40	-1.0	-52.05	312.48	5.41	-46.64
O=C(C1CCC2(CC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587357	1	40	-1.0	-52.03	312.54	5.43	-46.60
CN1C=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587358	0	30	-1.0	-57.20	272.44	2.52	-54.68
CN1C=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587358	1	30	-1.0	-57.19	272.38	2.50	-54.69
COC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587359	0	38	-1.0	-54.40	317.62	4.46	-49.94
COC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587359	1	38	-1.0	-54.33	317.68	4.49	-49.84
O=C(C1=C(Cl)SC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587360	0	27	-1.0	-53.62	257.38	3.12	-50.50
O=C(C1=C(Cl)SC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587360	1	27	-1.0	-53.66	257.44	3.12	-50.54
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CS1	REAL250004587361	0	34	-1.0	-50.31	296.83	5.00	-45.31
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CS1	REAL250004587361	1	34	-1.0	-50.28	296.88	5.03	-45.25
CC1=NC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587362	0	31	-1.0	-52.51	259.46	1.53	-50.98
CC1=NC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587362	1	31	-1.0	-52.48	259.52	1.56	-50.92
CN1C=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587363	0	35	-1.0	-53.58	297.42	1.95	-51.63
CN1C=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587363	1	35	-1.0	-53.59	297.48	1.97	-51.62
CCOCCOCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587364	0	43	-1.0	-58.21	351.82	2.71	-55.50
CCOCCOCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587364	1	43	-1.0	-58.20	351.88	2.73	-55.47
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004587365	0	34	-1.0	-50.38	297.30	3.71	-46.67
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004587365	1	34	-1.0	-50.38	297.36	3.73	-46.65
O=C(C1=CC(Cl)=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004587366	0	26	-1.0	-44.07	247.56	1.73	-42.34
O=C(C1=CC(Cl)=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004587366	1	26	-1.0	-44.07	247.50	1.70	-42.37
O=C([C@H]1COC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587367	0	29	-1.0	-57.65	250.64	-1.81	-59.46
O=C([C@H]1COC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587367	1	29	-1.0	-57.71	250.69	-1.78	-59.49
CN1C(=O)NCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587368	0	33	-1.0	-58.37	274.61	-0.65	-59.02
CN1C(=O)NCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587368	1	33	-1.0	-58.37	274.67	-0.62	-58.99
CCC(C)(C)C(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587369	0	37	-1.0	-45.40	287.96	3.22	-42.18
CCC(C)(C)C(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587369	1	37	-1.0	-45.41	288.02	3.24	-42.17
O=C(CC1=CC(C2CC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004587370	0	36	-1.0	-55.05	306.34	4.35	-50.70
O=C(CC1=CC(C2CC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004587370	1	36	-1.0	-55.01	306.39	4.37	-50.64
CC1=NOC(C2(C(=O)N3CCCC3C3=N[N-]N=N3)CC2)=C1	REAL250004587371	0	36	-1.0	-47.65	305.43	3.94	-43.71
CC1=NOC(C2(C(=O)N3CCCC3C3=NN=N[N-]3)CC2)=C1	REAL250004587371	1	36	-1.0	-47.70	305.49	3.95	-43.75
CC1CN(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587373	0	39	-1.0	-55.58	306.00	0.95	-54.63
CC1CN(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587373	1	39	-1.0	-55.54	306.06	0.97	-54.57
CN1C=NC2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL250004587374	0	35	-1.0	-49.10	291.47	3.03	-46.07
CN1C=NC2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL250004587374	1	35	-1.0	-49.12	291.52	3.04	-46.08
O=C(C=CCN1C=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587376	0	33	-1.0	-62.54	288.66	4.71	-57.83
O=C(C=CCN1C=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587376	1	33	-1.0	-62.49	288.60	4.69	-57.80
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587377	0	34	-1.0	-60.40	287.58	3.58	-56.82
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587377	1	34	-1.0	-60.41	287.64	3.61	-56.80
CC1=CC=NN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587378	0	33	-1.0	-54.87	281.22	2.55	-52.32
CC1=CC=NN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587378	1	33	-1.0	-54.88	281.28	2.58	-52.30
O=C(C=CC=C(Cl)Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587379	0	28	-1.0	-52.13	274.96	3.88	-48.25
O=C(C=CC=C(Cl)Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587379	1	28	-1.0	-52.14	275.02	3.90	-48.24
CC1=C(CO)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587380	0	34	-1.0	-57.98	289.80	0.24	-57.74
CC1=C(CO)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587380	1	34	-1.0	-58.02	289.86	0.27	-57.75
CN1CCCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004587381	0	40	-1.0	-47.89	295.16	3.43	-44.46
CN1CCCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004587381	1	40	-1.0	-47.91	295.21	3.45	-44.46
CN1C=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004587383	0	32	-1.0	-62.65	274.19	3.05	-59.60
CN1C=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004587383	1	32	-1.0	-62.63	274.13	3.02	-59.61
O=C(CC=CCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587384	0	40	-1.0	-54.12	334.84	6.88	-47.24
O=C(CC=CCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587384	1	40	-1.0	-54.16	334.90	6.90	-47.26
CN1CCOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004587385	0	35	-1.0	-59.36	281.56	1.06	-58.30
CN1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004587385	1	35	-1.0	-59.39	281.62	1.08	-58.31
O=C(CC1CCCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL250004587386	0	36	-1.0	-76.36	300.52	0.52	-75.84
O=C(CC1CCCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL250004587386	1	36	-1.0	-76.36	300.58	0.54	-75.82
CC1=C(C)NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587388	0	33	-1.0	-51.97	276.31	2.24	-49.73
CC1=C(C)NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587388	1	33	-1.0	-51.98	276.37	2.27	-49.71
CC1=NN=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587389	0	34	-1.0	-54.31	292.74	-1.60	-55.91
CC1=NN=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587389	1	34	-1.0	-54.34	292.80	-1.58	-55.92
O=C(C1=NN=C(C2CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587390	0	32	-1.0	-50.20	278.89	-0.77	-50.97
O=C(C1=NN=C(C2CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587390	1	32	-1.0	-50.17	278.94	-0.74	-50.91
O=C(C1=CC=CN2N=NN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587391	0	31	-1.0	-60.56	268.14	1.80	-58.76
O=C(C1=CC=CN2N=NN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587391	1	31	-1.0	-60.57	268.08	1.78	-58.79
O=C(C1=CC(F)=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587392	0	30	-1.0	-40.87	253.16	-0.13	-41.00
O=C(C1=CC(F)=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587392	1	30	-1.0	-40.88	253.24	-0.14	-41.02
C#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587393	0	32	-1.0	-52.42	278.50	4.77	-47.65
C#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587393	1	32	-1.0	-52.45	278.56	4.79	-47.66
N#CC1(C(=O)N2CCCC2C2=N[N-]N=N2)CCOC1	REAL250004587394	0	32	-1.0	-43.57	266.39	0.67	-42.90
N#CC1(C(=O)N2CCCC2C2=NN=N[N-]2)CCOC1	REAL250004587394	1	32	-1.0	-43.58	266.45	0.70	-42.88
O=CC1=CC=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587395	0	32	-1.0	-40.04	272.43	2.89	-37.15
O=CC1=CC=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587395	1	32	-1.0	-40.10	272.47	2.90	-37.20
O=CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587396	0	35	-1.0	-54.37	302.60	4.39	-49.98
O=CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587396	1	35	-1.0	-54.41	302.66	4.41	-50.00
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CN=CC=N1	REAL250004587397	0	34	-1.0	-55.29	285.44	1.32	-53.97
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CN=CC=N1	REAL250004587397	1	34	-1.0	-55.30	285.50	1.33	-53.97
O=C(CC(F)(F)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587398	0	29	-1.0	-52.53	269.24	2.98	-49.55
O=C(CC(F)(F)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587398	1	29	-1.0	-52.56	269.29	3.01	-49.55
O=CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL250004587399	0	32	-1.0	-51.29	280.08	3.36	-47.93
O=CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL250004587399	1	32	-1.0	-51.29	280.14	3.39	-47.90
O=C(C1=CSN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587400	0	26	-1.0	-50.76	250.89	1.74	-49.02
O=C(C1=CSN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587400	1	26	-1.0	-50.75	250.83	1.73	-49.02
O=C(CCOC1COC1)N1CCCC1C1=N[N-]N=N1	REAL250004587401	0	35	-1.0	-50.12	292.58	0.30	-49.82
O=C(CCOC1COC1)N1CCCC1C1=NN=N[N-]1	REAL250004587401	1	35	-1.0	-50.13	292.64	0.33	-49.80
O=C(C1=CSC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587402	0	27	-1.0	-54.21	257.66	3.09	-51.12
O=C(C1=CSC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587402	1	27	-1.0	-54.21	257.72	3.10	-51.11
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587403	0	41	-1.0	-54.74	323.49	3.89	-50.85
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587403	1	41	-1.0	-54.74	323.55	3.92	-50.82
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)(C)C	REAL250004587404	0	44	-1.0	-52.07	319.12	4.98	-47.09
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)(C)C	REAL250004587404	1	44	-1.0	-52.02	319.17	5.01	-47.01
CCC1=CC=C(F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587405	0	36	-1.0	-50.65	296.78	5.00	-45.65
CCC1=CC=C(F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587405	1	36	-1.0	-50.64	296.84	5.01	-45.63
COCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CS1	REAL250004587406	0	34	-1.0	-53.97	293.84	2.35	-51.62
COCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CS1	REAL250004587406	1	34	-1.0	-53.96	293.90	2.37	-51.59
CN1C=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL250004587407	0	37	-1.0	-56.95	304.58	5.28	-51.67
CN1C=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL250004587407	1	37	-1.0	-56.97	304.52	5.26	-51.71
O=C(CC1CCC(F)(F)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587408	0	39	-1.0	-50.15	310.23	5.07	-45.08
O=C(CC1CCC(F)(F)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587408	1	39	-1.0	-50.17	310.29	5.10	-45.07
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587409	0	40	-1.0	-53.17	327.67	6.64	-46.53
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587409	1	40	-1.0	-53.16	327.73	6.67	-46.49
O=C(C1=CC=C(C(F)F)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587410	0	30	-1.0	-51.45	270.49	3.12	-48.33
O=C(C1=CC=C(C(F)F)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587410	1	30	-1.0	-51.47	270.55	3.15	-48.32
O=C(C1=C(C(F)F)N=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004587411	0	29	-1.0	-56.25	260.22	-0.38	-56.63
O=C(C1=C(C(F)F)N=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004587411	1	29	-1.0	-56.27	260.28	-0.35	-56.62
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587412	0	36	-1.0	-55.61	311.21	2.35	-53.26
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587412	1	36	-1.0	-55.62	311.26	2.37	-53.25
O=C(C1=CC(=O)N=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004587413	0	29	-1.0	-53.10	245.38	-0.74	-53.84
O=C(C1=CC(=O)N=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004587413	1	29	-1.0	-53.15	245.45	-0.73	-53.88
O=C(CN1CCOC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587414	0	32	-1.0	-57.90	274.56	1.45	-56.45
O=C(CN1CCOC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587414	1	32	-1.0	-57.88	274.62	1.48	-56.40
O=C(CCCN1C=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587415	0	35	-1.0	-63.65	297.93	4.91	-58.74
O=C(CCCN1C=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587415	1	35	-1.0	-63.68	297.87	4.88	-58.80
CC1=C(C=O)C(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004587416	0	36	-1.0	-52.88	295.76	2.90	-49.98
CC1=C(C=O)C(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004587416	1	36	-1.0	-52.87	295.82	2.91	-49.96
O=C(CN1CCNC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587417	0	36	-1.0	-51.71	286.58	-2.32	-54.03
O=C(CN1CCNC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587417	1	36	-1.0	-51.71	286.63	-2.29	-54.00
CCCC=CC(O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587418	0	37	-1.0	-51.00	300.98	2.52	-48.48
CCCC=CC(O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587418	1	37	-1.0	-51.03	301.04	2.53	-48.50
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=NN1	REAL250004587419	0	30	-1.0	-55.67	277.50	1.33	-54.34
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=NN1	REAL250004587419	1	30	-1.0	-55.68	277.55	1.35	-54.33
CC1=NC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587420	0	32	-1.0	-56.77	276.67	0.27	-56.50
CC1=NC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587420	1	32	-1.0	-56.84	276.73	0.30	-56.54
CC1=NC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587421	0	33	-1.0	-53.17	295.40	3.13	-50.04
CC1=NC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587421	1	33	-1.0	-53.20	295.46	3.15	-50.05
O=C(C1=CC=NC2=CC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004587422	0	32	-1.0	-53.29	281.97	2.68	-50.61
O=C(C1=CC=NC2=CC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004587422	1	32	-1.0	-53.27	281.91	2.66	-50.61
O=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587423	0	29	-1.0	-54.51	266.18	2.33	-52.18
O=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587423	1	29	-1.0	-54.46	266.23	2.35	-52.11
O=C(C1=NC=CN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587425	0	28	-1.0	-55.47	256.04	1.35	-54.12
O=C(C1=NC=CN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587425	1	28	-1.0	-55.42	255.98	1.32	-54.10
O=C(C1=NC2=CC=NN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587426	0	32	-1.0	-50.44	275.99	3.43	-47.01
O=C(C1=NC2=CC=NN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587426	1	32	-1.0	-50.46	275.94	3.41	-47.05
CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N(C)C1=O	REAL250004587427	0	34	-1.0	-56.16	282.77	2.36	-53.80
CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N(C)C1=O	REAL250004587427	1	34	-1.0	-56.20	282.83	2.37	-53.83
CC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1C	REAL250004587428	0	33	-1.0	-52.56	269.81	2.53	-50.03
CC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1C	REAL250004587428	1	33	-1.0	-52.57	269.87	2.54	-50.03
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587429	0	31	-1.0	-63.00	266.22	-0.95	-63.95
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587429	1	31	-1.0	-63.00	266.28	-0.92	-63.92
O=CC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587431	0	36	-1.0	-58.08	311.39	4.87	-53.21
O=CC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587431	1	36	-1.0	-58.10	311.45	4.90	-53.20
O=C(C1=CN2CCOCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587437	0	35	-1.0	-56.28	289.75	2.21	-54.07
O=C(C1=CN2CCOCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587437	1	35	-1.0	-56.28	289.81	2.24	-54.04
O=C(C1=NC(C2CC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587438	0	33	-1.0	-58.07	287.41	2.60	-55.47
O=C(C1=NC(C2CC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587438	1	33	-1.0	-58.15	287.47	2.63	-55.52
CC(=O)N1CCC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587439	0	37	-1.0	-69.63	299.35	2.34	-67.29
CC(=O)N1CCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587439	1	37	-1.0	-69.64	299.41	2.36	-67.28
CN(C)C(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587440	0	36	-1.0	-50.76	297.02	1.94	-48.82
CN(C)C(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587440	1	36	-1.0	-50.72	297.07	1.97	-48.75
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL250004587441	0	34	-1.0	-51.46	290.74	4.23	-47.23
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL250004587441	1	34	-1.0	-51.49	290.79	4.26	-47.23
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587442	0	35	-1.0	-71.84	289.25	-0.25	-72.09
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587442	1	35	-1.0	-71.83	289.31	-0.22	-72.05
O=C(C1=CN(C2CC2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587443	0	34	-1.0	-55.70	286.39	5.07	-50.63
O=C(C1=CN(C2CC2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587443	1	34	-1.0	-55.71	286.33	5.05	-50.66
CCC(NC(C)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587444	0	36	-1.0	-48.72	290.33	0.59	-48.13
CCC(NC(C)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587444	1	36	-1.0	-48.72	290.38	0.60	-48.12
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1F	REAL250004587445	0	33	-1.0	-41.34	276.23	3.88	-37.46
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1F	REAL250004587445	1	33	-1.0	-41.39	276.30	3.87	-37.52
O=C([C@H]1CCC(=O)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587446	0	30	-1.0	-57.33	255.81	2.84	-54.49
O=C([C@H]1CCC(=O)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587446	1	30	-1.0	-57.32	255.86	2.87	-54.45
CNC1=NC(C)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587447	0	37	-1.0	-51.03	302.07	2.70	-48.33
CNC1=NC(C)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587447	1	37	-1.0	-51.06	302.13	2.71	-48.35
CC1=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=C2C=C1	REAL250004587448	0	36	-1.0	-56.35	303.44	5.58	-50.77
CC1=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=C2C=C1	REAL250004587448	1	36	-1.0	-56.34	303.38	5.56	-50.78
CN1C(=O)OCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587449	0	32	-1.0	-56.17	268.20	0.80	-55.37
CN1C(=O)OCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587449	1	32	-1.0	-56.19	268.25	0.83	-55.36
O=C(C1=NC=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004587450	0	33	-1.0	-57.97	278.96	4.96	-53.01
O=C(C1=NC=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004587450	1	33	-1.0	-57.95	278.90	4.93	-53.02
CC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587451	0	33	-1.0	-52.31	280.88	4.07	-48.24
CC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587451	1	33	-1.0	-52.27	280.94	4.09	-48.18
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004587453	0	36	-1.0	-59.65	303.23	4.18	-55.47
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004587453	1	36	-1.0	-59.65	303.18	4.15	-55.50
CC1OC(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)C1C	REAL250004587454	0	40	-1.0	-55.00	302.12	2.93	-52.07
CC1OC(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)C1C	REAL250004587454	1	40	-1.0	-54.99	302.18	2.95	-52.04
CN1C(=O)CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004587455	0	35	-1.0	-63.37	302.05	1.59	-61.78
CN1C(=O)CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004587455	1	35	-1.0	-63.38	302.11	1.62	-61.76
O=C(C1=COC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587456	0	30	-1.0	-50.74	268.28	2.75	-47.99
O=C(C1=COC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587456	1	30	-1.0	-50.72	268.33	2.77	-47.95
O=C(C1CC(C2CC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587457	0	37	-1.0	-55.42	297.82	5.09	-50.33
O=C(C1CC(C2CC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587457	1	37	-1.0	-55.40	297.88	5.12	-50.28
CSCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587458	0	42	-1.0	-52.39	350.04	6.02	-46.37
CSCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587458	1	42	-1.0	-52.40	350.10	6.05	-46.35
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587459	0	34	-1.0	-53.31	297.87	4.94	-48.37
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587459	1	34	-1.0	-53.32	297.93	4.96	-48.36
O=C(CC1C(=O)N=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587460	0	33	-1.0	-65.78	282.35	0.65	-65.13
O=C(CC1C(=O)N=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587460	1	33	-1.0	-65.77	282.41	0.67	-65.10
CC(=C(F)C(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004587461	0	34	-1.0	-47.47	277.90	4.35	-43.12
CC(=C(F)C(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004587461	1	34	-1.0	-47.48	277.96	4.38	-43.10
O=C([C@@H]1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587462	0	31	-1.0	-57.45	260.64	-0.49	-57.94
O=C([C@@H]1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587462	1	31	-1.0	-57.41	260.70	-0.47	-57.88
CC1C(C(=O)N2CCCC2C2=N[N-]N=N2)C1C1CC1	REAL250004587464	0	37	-1.0	-51.32	288.40	5.07	-46.25
CC1C(C(=O)N2CCCC2C2=NN=N[N-]2)C1C1CC1	REAL250004587464	1	37	-1.0	-51.36	288.45	5.10	-46.26
O=C(C1CCCC12CC2)N1CCCC1C1=N[N-]N=N1	REAL250004587465	0	37	-1.0	-53.24	292.24	4.63	-48.61
O=C(C1CCCC12CC2)N1CCCC1C1=NN=N[N-]1	REAL250004587465	1	37	-1.0	-53.25	292.30	4.65	-48.60
COC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587466	0	36	-1.0	-50.57	293.38	1.76	-48.81
COC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587466	1	36	-1.0	-50.60	293.44	1.75	-48.85
O=C(CC1CC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004587467	0	38	-1.0	-62.25	314.18	4.81	-57.44
O=C(CC1CC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004587467	1	38	-1.0	-62.22	314.23	4.84	-57.38
COCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587468	0	37	-1.0	-55.95	309.64	1.26	-54.69
COCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587468	1	37	-1.0	-55.94	309.58	1.25	-54.69
CC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587469	0	37	-1.0	-69.54	297.53	2.25	-67.29
CC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587469	1	37	-1.0	-69.58	297.58	2.27	-67.31
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587470	0	40	-1.0	-53.94	323.96	6.47	-47.47
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587470	1	40	-1.0	-53.96	324.01	6.50	-47.46
COC1=CC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587471	0	33	-1.0	-59.99	276.09	3.33	-56.66
COC1=CC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587471	1	33	-1.0	-59.99	276.03	3.32	-56.67
CC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)O1	REAL250004587472	0	37	-1.0	-55.51	286.35	2.36	-53.15
CC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)O1	REAL250004587472	1	37	-1.0	-55.54	286.41	2.38	-53.16
O=C(C1CC2CC1C1CC12)N1CCCC1C1=N[N-]N=N1	REAL250004587473	0	38	-1.0	-52.58	279.07	4.70	-47.88
O=C(C1CC2CC1C1CC12)N1CCCC1C1=NN=N[N-]1	REAL250004587473	1	38	-1.0	-52.56	279.13	4.72	-47.84
CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL250004587474	0	36	-1.0	-56.94	293.88	2.80	-54.14
CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL250004587474	1	36	-1.0	-56.97	293.94	2.81	-54.16
N#CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587475	0	33	-1.0	-55.86	295.11	3.21	-52.65
N#CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587475	1	33	-1.0	-55.83	295.06	3.18	-52.65
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587476	0	35	-1.0	-59.23	292.45	3.99	-55.24
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587476	1	35	-1.0	-59.19	292.40	3.97	-55.22
O=C(C1=CN=CC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587477	0	32	-1.0	-53.75	279.84	2.69	-51.06
O=C(C1=CN=CC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587477	1	32	-1.0	-53.70	279.78	2.68	-51.02
O=C(C1=C2N=CC=CN2C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587478	0	32	-1.0	-70.92	276.62	4.90	-66.02
O=C(C1=C2N=CC=CN2C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587478	1	32	-1.0	-70.89	276.56	4.87	-66.02
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004587479	0	37	-1.0	-54.52	311.64	5.27	-49.25
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004587479	1	37	-1.0	-54.52	311.69	5.29	-49.23
CCOC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCOC1	REAL250004587480	0	41	-1.0	-57.62	322.77	2.64	-54.98
CCOC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCOC1	REAL250004587480	1	41	-1.0	-57.62	322.83	2.65	-54.97
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C(C)(C)C	REAL250004587481	0	44	-1.0	-52.82	314.01	4.99	-47.83
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C(C)(C)C	REAL250004587481	1	44	-1.0	-52.86	314.07	5.01	-47.85
O=C(C=CCCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587482	0	40	-1.0	-52.84	334.39	6.81	-46.03
O=C(C=CCCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587482	1	40	-1.0	-52.83	334.45	6.84	-45.99
COC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL250004587483	0	33	-1.0	-56.91	282.61	2.12	-54.79
COC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL250004587483	1	33	-1.0	-56.92	282.55	2.10	-54.82
CC1=NN(CC(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587484	0	39	-1.0	-51.50	313.23	3.72	-47.78
CC1=NN(CC(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587484	1	39	-1.0	-51.52	313.28	3.75	-47.77
CC1=CN=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587485	0	32	-1.0	-55.94	274.50	2.46	-53.48
CC1=CN=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587485	1	32	-1.0	-55.94	274.44	2.44	-53.50
CC1=CC(F)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587486	0	32	-1.0	-48.02	271.37	2.31	-45.71
CC1=CC(F)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587486	1	32	-1.0	-48.04	271.43	2.33	-45.71
COC1=NSC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587487	0	30	-1.0	-55.06	268.77	0.13	-54.93
COC1=NSC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587487	1	30	-1.0	-55.04	268.71	0.11	-54.93
O=C(C=CC1=CC=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587488	0	35	-1.0	-55.28	299.32	2.30	-52.98
O=C(C=CC1=CC=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587488	1	35	-1.0	-55.26	299.37	2.32	-52.94
CCOC1CC2(CC2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587489	0	41	-1.0	-56.92	332.35	4.31	-52.61
CCOC1CC2(CC2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587489	1	41	-1.0	-56.89	332.41	4.33	-52.56
N#CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587490	0	28	-1.0	-48.27	253.98	2.15	-46.12
N#CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587490	1	28	-1.0	-48.26	254.04	2.17	-46.09
O=C(C1=CN(C(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587491	0	30	-1.0	-53.82	266.88	1.48	-52.34
O=C(C1=CN(C(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587491	1	30	-1.0	-53.80	266.82	1.46	-52.34
CCCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587492	0	36	-1.0	-52.12	307.06	4.96	-47.16
CCCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587492	1	36	-1.0	-52.10	307.12	4.97	-47.13
CCOCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587493	0	42	-1.0	-54.31	339.34	4.04	-50.27
CCOCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587493	1	42	-1.0	-54.32	339.39	4.07	-50.25
O=C(C1=NC=C2CCCCN21)N1CCCC1C1=NN=N[N-]1	REAL250004587494	0	37	-1.0	-53.45	295.81	4.52	-48.93
O=C(C1=NC=C2CCCCN21)N1CCCC1C1=N[N-]N=N1	REAL250004587494	1	37	-1.0	-53.45	295.75	4.49	-48.96
NC1=CC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587495	0	31	-1.0	-52.46	258.74	0.99	-51.47
NC1=CC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587495	1	31	-1.0	-52.42	258.68	0.97	-51.45
O=C(C1CCC12CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587496	0	41	-1.0	-54.48	296.93	3.07	-51.41
O=C(C1CCC12CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587496	1	41	-1.0	-54.52	296.98	3.09	-51.43
O=C(C1=CN2C=CN=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587497	0	32	-1.0	-50.51	280.73	4.98	-45.53
O=C(C1=CN2C=CN=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587497	1	32	-1.0	-50.49	280.67	4.97	-45.52
CCOC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCC1	REAL250004587498	0	43	-1.0	-57.46	325.99	4.83	-52.63
CCOC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCC1	REAL250004587498	1	43	-1.0	-57.43	326.05	4.84	-52.59
CC1CC1C1CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587499	0	37	-1.0	-53.26	301.20	5.26	-48.00
CC1CC1C1CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587499	1	37	-1.0	-53.28	301.26	5.29	-47.99
CCN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587500	0	36	-1.0	-52.71	294.58	2.73	-49.98
CCN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587500	1	36	-1.0	-52.73	294.65	2.75	-49.98
CN1CCCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587502	1	38	-1.0	-53.01	291.30	1.65	-51.36
CN1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587502	1	38	-1.0	-53.01	291.35	1.67	-51.34
O=C(N1CCCC1C1=N[N-]N=N1)C1(Cl)CC2CCC1O2	REAL250004587503	0	35	-1.0	-53.86	283.55	2.16	-51.70
O=C(N1CCCC1C1=NN=N[N-]1)C1(Cl)CC2CCC1O2	REAL250004587503	1	35	-1.0	-53.86	283.60	2.19	-51.67
O=C(C1CC2(CSC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587505	0	35	-1.0	-50.23	294.07	4.40	-45.83
O=C(C1CC2(CSC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587505	1	35	-1.0	-50.23	294.13	4.42	-45.81
O=C(C1=CN(CC2CC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587506	0	37	-1.0	-52.98	307.19	3.77	-49.21
O=C(C1=CN(CC2CC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587506	1	37	-1.0	-52.96	307.12	3.76	-49.20
O=C(C1=C2N=CNC2=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587507	0	31	-1.0	-61.24	268.93	3.36	-57.88
O=C(C1=C2N=CNC2=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587507	1	31	-1.0	-61.26	268.87	3.34	-57.92
CC1(CCCC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587508	0	35	-1.0	-58.69	294.41	-0.91	-59.60
CC1(CCCC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587508	1	35	-1.0	-58.73	294.47	-0.89	-59.62
C=CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004587509	0	37	-1.0	-52.25	304.11	5.50	-46.75
C=CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004587509	1	37	-1.0	-52.28	304.16	5.53	-46.75
O=C(C1CCCN2N=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587510	0	36	-1.0	-64.44	295.44	3.65	-60.79
O=C(C1CCCN2N=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587510	1	36	-1.0	-64.40	295.50	3.66	-60.74
CN(C)C(=O)C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587511	0	34	-1.0	-50.77	286.77	1.73	-49.04
CN(C)C(=O)C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587511	1	34	-1.0	-50.79	286.83	1.76	-49.03
O=C(C1=CC=CN2N=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587512	0	32	-1.0	-58.53	273.64	4.43	-54.10
O=C(C1=CC=CN2N=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587512	1	32	-1.0	-58.52	273.59	4.41	-54.11
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCC1C1=N[N-]N=N1	REAL250004587513	0	38	-1.0	-58.66	290.58	3.57	-55.09
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCC1C1=NN=N[N-]1	REAL250004587513	1	38	-1.0	-58.63	290.64	3.59	-55.04
CSC1=NC=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587514	0	32	-1.0	-55.46	281.83	2.15	-53.31
CSC1=NC=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587514	1	32	-1.0	-55.45	281.77	2.12	-53.33
CNC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587515	0	34	-1.0	-55.72	283.50	1.55	-54.17
CNC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587515	1	34	-1.0	-55.69	283.44	1.52	-54.17
CN1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004587516	0	37	-1.0	-71.86	300.25	3.57	-68.29
CN1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004587516	1	37	-1.0	-71.87	300.31	3.60	-68.27
CC1=CC(C)=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587517	0	36	-1.0	-52.21	310.51	5.16	-47.05
CC1=CC(C)=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587517	1	36	-1.0	-52.26	310.57	5.19	-47.07
O=C(CC1=CC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587518	0	32	-1.0	-54.79	279.12	3.11	-51.68
O=C(CC1=CC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587518	1	32	-1.0	-54.77	279.17	3.14	-51.63
CC1=CN=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587519	0	32	-1.0	-52.64	283.29	2.94	-49.70
CC1=CN=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587519	1	32	-1.0	-52.64	283.23	2.92	-49.72
O=C(C=CC1=CC=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587520	0	34	-1.0	-58.00	293.73	5.19	-52.81
O=C(C=CC1=CC=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587520	1	34	-1.0	-57.96	293.79	5.21	-52.75
O=C(C=CC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587521	0	34	-1.0	-52.28	294.64	5.22	-47.06
O=C(C=CC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587521	1	34	-1.0	-52.25	294.70	5.24	-47.01
NC1=CC(Cl)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587522	0	32	-1.0	-48.37	280.63	2.18	-46.19
NC1=CC(Cl)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587522	1	32	-1.0	-48.38	280.69	2.19	-46.19
NC1=CC(F)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587523	0	32	-1.0	-48.37	270.32	1.73	-46.64
NC1=CC(F)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587523	1	32	-1.0	-48.36	270.38	1.74	-46.62
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587524	0	32	-1.0	-49.22	279.43	1.36	-47.86
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587524	1	32	-1.0	-49.24	279.48	1.37	-47.87
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587525	0	32	-1.0	-40.51	271.42	1.07	-39.44
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587525	1	32	-1.0	-40.49	271.48	1.06	-39.43
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587526	0	35	-1.0	-52.22	302.81	0.87	-51.35
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587526	1	35	-1.0	-52.23	302.87	0.89	-51.34
O=C(C1=CC=CN2N=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587527	0	33	-1.0	-53.23	287.46	3.72	-49.51
O=C(C1=CC=CN2N=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587527	1	33	-1.0	-53.24	287.40	3.70	-49.54
O=C(CO)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587528	0	34	-1.0	-67.23	290.79	-2.11	-69.34
O=C(CO)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587528	1	34	-1.0	-67.23	290.85	-2.08	-69.31
O=C(CNC(=O)N1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587529	0	39	-1.0	-50.85	317.60	1.33	-49.52
O=C(CNC(=O)N1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587529	1	39	-1.0	-50.88	317.65	1.36	-49.52
O=C(CC1CCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587530	0	34	-1.0	-65.60	277.73	1.40	-64.20
O=C(CC1CCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587530	1	34	-1.0	-65.58	277.78	1.42	-64.16
O=C(C1=COC2=CC(O)=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004587531	0	34	-1.0	-56.37	289.72	1.20	-55.17
O=C(C1=COC2=CC(O)=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004587531	1	34	-1.0	-56.38	289.66	1.19	-55.19
O=C(C1=CN=C2C=CNC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587532	0	33	-1.0	-58.19	276.60	1.68	-56.51
O=C(C1=CN=C2C=CNC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587532	1	33	-1.0	-58.16	276.56	1.65	-56.51
COC1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004587533	0	34	-1.0	-59.19	286.26	1.91	-57.28
COC1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004587533	1	34	-1.0	-59.21	286.32	1.93	-57.28
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004587534	0	37	-1.0	-55.11	301.85	2.02	-53.09
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004587534	1	37	-1.0	-55.14	301.91	2.05	-53.09
NC1=NN=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587535	0	30	-1.0	-60.09	274.68	-0.08	-60.17
NC1=NN=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587535	1	30	-1.0	-60.11	274.74	-0.06	-60.17
NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004587536	0	31	-1.0	-40.37	254.25	0.07	-40.30
NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004587536	1	31	-1.0	-40.39	254.32	0.08	-40.31
CCCC(CC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587537	0	38	-1.0	-52.27	291.82	4.09	-48.18
CCCC(CC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587537	1	38	-1.0	-52.31	291.88	4.11	-48.20
O=C(C1C2(CC2)C12CC2)N1CCCC1C1=N[N-]N=N1	REAL250004587538	0	35	-1.0	-53.47	294.67	5.38	-48.09
O=C(C1C2(CC2)C12CC2)N1CCCC1C1=NN=N[N-]1	REAL250004587538	1	35	-1.0	-53.49	294.73	5.41	-48.08
O=C(C1=C(C(F)F)C=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587539	0	30	-1.0	-59.77	269.36	3.41	-56.36
O=C(C1=C(C(F)F)C=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587539	1	30	-1.0	-59.77	269.42	3.43	-56.34
CCOC(=O)C(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004587540	0	41	-1.0	-61.04	327.93	4.33	-56.71
CCOC(=O)C(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004587540	1	41	-1.0	-61.05	328.00	4.35	-56.70
CC1(C)CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)OC1	REAL250004587541	0	43	-1.0	-54.10	330.15	4.68	-49.42
CC1(C)CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)OC1	REAL250004587541	1	43	-1.0	-54.12	330.21	4.70	-49.42
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)CC(F)F	REAL250004587542	0	38	-1.0	-50.26	297.01	4.30	-45.96
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)CC(F)F	REAL250004587542	1	38	-1.0	-50.28	297.07	4.32	-45.96
O=C(C1CCC=CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587543	0	37	-1.0	-53.10	282.05	4.32	-48.78
O=C(C1CCC=CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587543	1	37	-1.0	-53.10	282.11	4.35	-48.75
CCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587544	0	37	-1.0	-56.58	299.09	4.65	-51.93
CCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587544	1	37	-1.0	-56.62	299.15	4.67	-51.95
O=C(CN1N=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587545	0	35	-1.0	-62.67	302.89	3.44	-59.23
O=C(CN1N=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587545	1	35	-1.0	-62.69	302.83	3.42	-59.27
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587546	0	40	-1.0	-58.68	313.70	3.37	-55.31
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587546	1	40	-1.0	-58.69	313.76	3.40	-55.29
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587547	0	36	-1.0	-61.91	290.72	3.81	-58.10
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587547	1	36	-1.0	-61.95	290.79	3.87	-58.08
O=C(C=CC1=CSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587548	0	31	-1.0	-53.26	278.30	4.10	-49.16
O=C(C=CC1=CSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587548	1	31	-1.0	-53.28	278.35	4.13	-49.15
O=C(CC1=CC=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587549	0	32	-1.0	-54.34	289.47	3.53	-50.81
O=C(CC1=CC=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587549	1	32	-1.0	-54.31	289.53	3.55	-50.76
CCC1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587550	0	36	-1.0	-50.41	293.58	2.76	-47.65
CCC1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587550	1	36	-1.0	-50.45	293.64	2.78	-47.67
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587551	0	38	-1.0	-50.68	314.35	2.00	-48.68
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587551	1	38	-1.0	-50.67	314.29	1.97	-48.70
NC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587552	0	31	-1.0	-54.89	263.60	0.63	-54.26
NC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587552	1	31	-1.0	-54.85	263.66	0.65	-54.20
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587553	0	37	-1.0	-52.98	303.75	5.49	-47.49
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587553	1	37	-1.0	-53.01	303.81	5.52	-47.49
CC1(C)COC(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587554	0	43	-1.0	-53.83	337.62	3.90	-49.93
CC1(C)COC(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587554	1	43	-1.0	-53.80	337.67	3.92	-49.88
CC(C)(C)C12CC(C(=O)N3CCCC3C3=N[N-]N=N3)(C1)C2	REAL250004587555	0	43	-1.0	-53.17	336.63	5.88	-47.29
CC(C)(C)C12CC(C(=O)N3CCCC3C3=NN=N[N-]3)(C1)C2	REAL250004587555	1	43	-1.0	-53.18	336.69	5.90	-47.28
O=C(C1=CN2CCCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587556	0	37	-1.0	-56.52	298.85	4.58	-51.94
O=C(C1=CN2CCCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587556	1	37	-1.0	-56.56	298.90	4.60	-51.96
O=C(COC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587557	0	33	-1.0	-56.57	285.70	2.05	-54.52
O=C(COC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587557	1	33	-1.0	-56.56	285.65	2.02	-54.54
O=C(C1=CC=CC2=C1OCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587558	0	35	-1.0	-46.59	280.06	3.83	-42.76
O=C(C1=CC=CC2=C1OCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587558	1	35	-1.0	-46.61	280.13	3.84	-42.77
O=C(C1=CC(=O)C=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004587559	0	30	-1.0	-59.02	256.98	1.77	-57.25
O=C(C1=CC(=O)C=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004587559	1	30	-1.0	-59.04	257.04	1.79	-57.25
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587560	0	29	-1.0	-46.49	268.31	2.17	-44.32
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587560	1	29	-1.0	-46.48	268.26	2.14	-44.34
CN1N=C(C2CC2)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587561	0	37	-1.0	-50.25	302.06	3.50	-46.75
CN1N=C(C2CC2)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587561	1	37	-1.0	-50.27	302.11	3.51	-46.76
O=C(C1=CSN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587562	0	26	-1.0	-51.27	235.34	1.29	-49.98
O=C(C1=CSN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587562	1	26	-1.0	-51.25	235.28	1.27	-49.98
CC1=CN(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587563	0	34	-1.0	-58.65	280.71	3.90	-54.75
CC1=CN(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587563	1	34	-1.0	-58.65	280.76	3.91	-54.74
COC1=NC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587564	0	32	-1.0	-50.03	275.79	-0.38	-50.41
COC1=NC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587564	1	32	-1.0	-50.06	275.74	-0.40	-50.46
O=C(C1=CN(C2CCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587565	0	37	-1.0	-52.37	300.13	3.38	-48.99
O=C(C1=CN(C2CCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587565	1	37	-1.0	-52.35	300.07	3.35	-49.00
O=C(C1=CC=C(F)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587566	0	27	-1.0	-46.90	242.29	2.16	-44.74
O=C(C1=CC=C(F)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587566	1	27	-1.0	-46.91	242.35	2.19	-44.72
O=C(C1=CC=NN1C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587567	0	37	-1.0	-51.34	297.50	3.65	-47.69
O=C(C1=CC=NN1C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587567	1	37	-1.0	-51.35	297.45	3.63	-47.72
O=C(C1=CC(C(F)F)=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587568	0	31	-1.0	-50.93	276.97	3.42	-47.51
O=C(C1=CC(C(F)F)=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587568	1	31	-1.0	-50.93	277.03	3.45	-47.48
CC1COC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587569	0	34	-1.0	-57.05	274.24	2.79	-54.26
CC1COC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587569	1	34	-1.0	-57.03	274.30	2.82	-54.21
O=C(C1CC2CCC(C1)S2)N1CCCC1C1=N[N-]N=N1	REAL250004587570	0	38	-1.0	-53.60	296.02	4.64	-48.96
O=C(C1CC2CCC(C1)S2)N1CCCC1C1=NN=N[N-]1	REAL250004587570	1	38	-1.0	-53.64	296.07	4.65	-48.99
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587571	0	38	-1.0	-52.29	301.25	3.31	-48.98
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587571	1	38	-1.0	-52.24	301.30	3.33	-48.91
O=C(C1=CSC=C1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587572	0	30	-1.0	-59.66	271.08	3.53	-56.13
O=C(C1=CSC=C1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587572	1	30	-1.0	-59.69	271.13	3.55	-56.14
O=C(CCC1=CC=CC(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587573	0	37	-1.0	-53.24	311.67	2.62	-50.62
O=C(CCC1=CC=CC(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587573	1	37	-1.0	-53.26	311.72	2.65	-50.61
O=C(C1=CC=CC(O)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587574	0	31	-1.0	-57.48	269.05	0.84	-56.64
O=C(C1=CC=CC(O)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587574	1	31	-1.0	-57.46	269.11	0.86	-56.60
CC1=CC(O)=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587575	0	37	-1.0	-52.84	307.02	2.30	-50.54
CC1=CC(O)=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587575	1	37	-1.0	-52.91	307.08	2.31	-50.60
O=C(C1CCC(Cl)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587576	0	36	-1.0	-56.24	292.76	4.46	-51.78
O=C(C1CCC(Cl)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587576	1	36	-1.0	-56.28	292.82	4.48	-51.80
CC1(C)OC[C@H](C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587577	0	39	-1.0	-54.03	321.84	2.60	-51.43
CC1(C)OC[C@H](C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587577	1	39	-1.0	-54.05	321.90	2.63	-51.42
O=C(C1=CS(=O)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587578	0	33	-1.0	-44.49	270.62	0.29	-44.20
O=C(C1=CS(=O)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587578	1	33	-1.0	-44.47	270.70	0.31	-44.16
CN1C(=O)CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587579	0	37	-1.0	-58.71	292.97	2.06	-56.65
CN1C(=O)CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587579	1	37	-1.0	-58.66	293.03	2.09	-56.57
CCN1CCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587580	0	35	-1.0	-56.00	282.22	0.28	-55.72
CCN1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587580	1	35	-1.0	-56.02	282.28	0.30	-55.72
O=C(COC1=NSC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587581	0	30	-1.0	-54.36	275.57	1.07	-53.29
O=C(COC1=NSC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587581	1	30	-1.0	-54.40	275.51	1.04	-53.36
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004587582	0	32	-1.0	-50.94	273.83	3.06	-47.88
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004587582	1	32	-1.0	-50.96	273.88	3.08	-47.88
CC(C)CN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587583	0	39	-1.0	-56.37	319.90	4.38	-51.99
CC(C)CN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587583	1	39	-1.0	-56.35	319.84	4.35	-52.00
O=C(CCCCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587584	0	42	-1.0	-52.41	343.66	7.04	-45.37
O=C(CCCCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587584	1	42	-1.0	-52.43	343.71	7.07	-45.36
CC1(C)COC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587585	0	40	-1.0	-57.91	315.97	3.78	-54.13
CC1(C)COC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587585	1	40	-1.0	-57.92	316.03	3.80	-54.12
O=C(CCN1CCC(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587586	1	38	-1.0	-54.42	306.33	1.80	-52.62
O=C(CCN1CCC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587586	1	38	-1.0	-54.40	306.39	1.82	-52.58
O=C(C1=CC=NC(CO)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587587	0	33	-1.0	-42.26	269.87	-1.24	-43.50
O=C(C1=CC=NC(CO)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587587	1	33	-1.0	-42.28	269.94	-1.24	-43.52
CC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1O	REAL250004587588	0	33	-1.0	-57.45	277.67	1.97	-55.48
CC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1O	REAL250004587588	1	33	-1.0	-57.45	277.72	1.99	-55.46
CN(C)CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587589	0	38	-1.0	-51.41	313.98	1.77	-49.64
CN(C)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587589	1	38	-1.0	-51.39	314.04	1.79	-49.60
O=C(CCCCCO)N1CCCC1C1=N[N-]N=N1	REAL250004587593	0	36	-1.0	-55.43	295.23	0.67	-54.76
O=C(CCCCCO)N1CCCC1C1=NN=N[N-]1	REAL250004587593	1	36	-1.0	-55.44	295.29	0.70	-54.74
CCCCC(O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587594	0	42	-1.0	-50.42	336.33	2.33	-48.09
CCCCC(O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587594	1	42	-1.0	-50.46	336.38	2.36	-48.10
CC1=CN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2N=C1	REAL250004587595	0	35	-1.0	-64.25	295.55	3.17	-61.08
CC1=CN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2N=C1	REAL250004587595	1	35	-1.0	-64.25	295.49	3.16	-61.09
O=C(CC1CCC2(CCC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587596	0	41	-1.0	-60.52	323.27	4.68	-55.84
O=C(CC1CCC2(CCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587596	1	41	-1.0	-60.52	323.33	4.70	-55.82
C=C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587597	0	37	-1.0	-52.82	288.45	4.33	-48.49
C=C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587597	1	37	-1.0	-52.87	288.50	4.35	-48.52
O=C(C1CCOC2(CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587598	0	41	-1.0	-52.72	317.61	3.63	-49.09
O=C(C1CCOC2(CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587598	1	41	-1.0	-52.72	317.67	3.64	-49.08
O=C(C1CCC=CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587599	0	40	-1.0	-50.86	299.89	4.98	-45.88
O=C(C1CCC=CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587599	1	40	-1.0	-50.80	299.95	5.00	-45.80
CN1N=C2CCCC2=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587600	0	37	-1.0	-53.51	305.61	3.42	-50.09
CN1N=C2CCCC2=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587600	1	37	-1.0	-53.51	305.67	3.43	-50.08
O=C(C1=CC=NN1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587601	0	34	-1.0	-51.98	281.53	3.05	-48.93
O=C(C1=CC=NN1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587601	1	34	-1.0	-51.97	281.48	3.02	-48.95
CC1=CN=C(F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587602	0	32	-1.0	-47.72	271.47	2.43	-45.29
CC1=CN=C(F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587602	1	32	-1.0	-47.71	271.41	2.41	-45.30
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCO1	REAL250004587603	0	37	-1.0	-59.67	290.31	2.47	-57.20
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCO1	REAL250004587603	1	37	-1.0	-59.65	290.37	2.48	-57.17
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCC1C1=N[N-]N=N1	REAL250004587604	0	37	-1.0	-53.36	307.71	4.98	-48.38
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCC1C1=NN=N[N-]1	REAL250004587604	1	37	-1.0	-53.36	307.77	5.00	-48.36
NC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587605	0	30	-1.0	-58.60	265.92	0.38	-58.22
NC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587605	1	30	-1.0	-58.59	265.87	0.35	-58.24
CC1=NC(C)=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587606	0	35	-1.0	-54.41	304.72	3.14	-51.27
CC1=NC(C)=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587606	1	35	-1.0	-54.44	304.77	3.16	-51.28
O=C(COCC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587607	0	36	-1.0	-57.13	306.48	3.39	-53.74
O=C(COCC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587607	1	36	-1.0	-57.16	306.54	3.41	-53.75
O=C(C1=CC=NS1)N1CCCC1C1=NN=N[N-]1	REAL250004587608	0	26	-1.0	-49.76	236.88	1.24	-48.52
O=C(C1=CC=NS1)N1CCCC1C1=N[N-]N=N1	REAL250004587608	1	26	-1.0	-49.74	236.82	1.21	-48.53
CCN1C=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587609	0	34	-1.0	-50.46	293.53	4.49	-45.97
CCN1C=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587609	1	34	-1.0	-50.49	293.58	4.51	-45.98
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587610	0	39	-1.0	-57.08	316.87	4.43	-52.65
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587610	1	39	-1.0	-57.11	316.93	4.46	-52.65
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587611	0	33	-1.0	-61.63	279.64	3.16	-58.47
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587611	1	33	-1.0	-61.65	279.61	3.20	-58.45
O=C(CC(F)(F)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587612	0	29	-1.0	-60.40	263.50	2.89	-57.51
O=C(CC(F)(F)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587612	1	29	-1.0	-60.39	263.56	2.92	-57.47
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587613	0	37	-1.0	-64.83	295.40	0.02	-64.81
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587613	1	37	-1.0	-64.82	295.46	0.04	-64.78
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587614	0	37	-1.0	-52.64	289.84	4.51	-48.13
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587614	1	37	-1.0	-52.61	289.90	4.53	-48.08
C#CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587615	0	29	-1.0	-55.85	269.62	3.54	-52.31
C#CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587615	1	29	-1.0	-55.86	269.68	3.57	-52.29
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587616	0	40	-1.0	-54.05	327.59	6.80	-47.25
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587616	1	40	-1.0	-54.03	327.64	6.82	-47.21
CC(=O)C1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587617	0	34	-1.0	-45.91	280.83	1.56	-44.35
CC(=O)C1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587617	1	34	-1.0	-45.89	280.89	1.55	-44.34
O=C(C1C2CCC(=O)C21)N1CCCC1C1=N[N-]N=N1	REAL250004587618	0	33	-1.0	-58.30	274.94	3.36	-54.94
O=C(C1C2CCC(=O)C21)N1CCCC1C1=NN=N[N-]1	REAL250004587618	1	33	-1.0	-58.28	275.00	3.38	-54.90
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004587619	0	38	-1.0	-39.49	301.44	4.17	-35.32
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004587619	1	38	-1.0	-39.52	301.52	4.17	-35.35
CC1=NNC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL250004587620	0	36	-1.0	-43.89	291.64	2.46	-41.43
CC1=NNC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL250004587620	1	36	-1.0	-43.85	291.58	2.47	-41.38
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004587621	1	42	-1.0	-52.27	323.48	-0.39	-52.66
O=C(CC1=NN=C(C2CC2)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587622	0	36	-1.0	-68.17	304.86	3.45	-64.72
O=C(CC1=NN=C(C2CC2)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587622	1	36	-1.0	-68.23	304.91	3.47	-64.76
O=C(CN1N=NC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587623	0	35	-1.0	-57.90	302.62	2.74	-55.16
O=C(CN1N=NC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587623	1	35	-1.0	-57.88	302.57	2.71	-55.17
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004587624	0	37	-1.0	-36.83	298.77	4.58	-32.25
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004587624	1	37	-1.0	-36.82	298.81	4.58	-32.24
CCOC1C(C)C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587625	0	37	-1.0	-49.74	304.87	3.15	-46.59
CCOC1C(C)C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587625	1	37	-1.0	-49.77	304.93	3.17	-46.60
CCCCCC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587626	0	42	-1.0	-48.40	342.72	2.48	-45.92
CCCCCC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587626	1	42	-1.0	-48.39	342.78	2.51	-45.88
O=C(CCN1C=NN=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587627	0	31	-1.0	-49.08	270.21	1.86	-47.22
O=C(CCN1C=NN=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587627	1	31	-1.0	-49.06	270.15	1.83	-47.23
NC1=CC=NN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587628	0	32	-1.0	-54.25	274.69	0.84	-53.41
NC1=CC=NN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587628	1	32	-1.0	-54.23	274.63	0.82	-53.41
O=C(CC1(O)CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587629	0	38	-1.0	-55.59	297.93	0.52	-55.07
O=C(CC1(O)CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587629	1	38	-1.0	-55.64	297.99	0.55	-55.09
O=C(C1=CC=C2NC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587630	0	33	-1.0	-57.98	279.86	2.74	-55.24
O=C(C1=CC=C2NC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587630	1	33	-1.0	-58.01	279.81	2.71	-55.30
CN1C=NC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587631	0	34	-1.0	-57.95	292.66	4.59	-53.36
CN1C=NC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587631	1	34	-1.0	-57.95	292.72	4.61	-53.34
O=C(CC1CC=CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587632	0	37	-1.0	-53.53	291.11	4.87	-48.66
O=C(CC1CC=CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587632	1	37	-1.0	-53.52	291.17	4.89	-48.63
O=C(C1=C(C(F)F)SC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587633	0	30	-1.0	-57.29	273.66	3.55	-53.74
O=C(C1=C(C(F)F)SC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587633	1	30	-1.0	-57.32	273.71	3.56	-53.76
O=C(CC1=CC=C(O)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587634	0	35	-1.0	-57.21	301.03	-0.26	-57.47
O=C(CC1=CC=C(O)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587634	1	35	-1.0	-57.21	301.09	-0.24	-57.45
O=C(CN1CCC(CO)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587635	0	42	-1.0	-53.10	326.39	-0.63	-53.73
O=C(CN1CCC(CO)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587635	1	42	-1.0	-53.07	326.45	-0.60	-53.67
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C=O	REAL250004587637	0	32	-1.0	-62.64	279.94	1.51	-61.13
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C=O	REAL250004587637	1	32	-1.0	-62.67	279.88	1.48	-61.19
O=C(C1=CS(=O)(=O)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587638	0	34	-1.0	-64.44	294.35	0.04	-64.40
O=C(C1=CS(=O)(=O)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587638	1	34	-1.0	-64.46	294.41	0.05	-64.41
O=C(C1CCC2(CC1)N=N2)N1CCCC1C1=N[N-]N=N1	REAL250004587639	0	36	-1.0	-54.61	289.02	-1.50	-56.11
O=C(C1CCC2(CC1)N=N2)N1CCCC1C1=NN=N[N-]1	REAL250004587639	1	36	-1.0	-54.60	289.08	-1.47	-56.07
CC1CN2CCN1CC2C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587640	1	41	-1.0	-54.83	301.64	-1.33	-56.16
CC1CN2CCN1CC2C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587640	1	41	-1.0	-54.85	301.69	-1.31	-56.16
O=C(C1=NC=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587641	0	34	-1.0	-65.01	287.85	3.56	-61.45
O=C(C1=NC=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587641	1	34	-1.0	-65.03	287.79	3.53	-61.50
CC1=CC=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL250004587642	0	37	-1.0	-56.94	304.37	5.88	-51.06
CC1=CC=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL250004587642	1	37	-1.0	-56.95	304.32	5.87	-51.08
CC(C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004587643	0	43	-1.0	-54.76	326.14	3.65	-51.11
CC(C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004587643	1	43	-1.0	-54.76	326.20	3.67	-51.09
O=C(C1=CC=CC2=C1CCOC2)N1CCCC1C1=N[N-]N=N1	REAL250004587644	0	38	-1.0	-55.66	302.45	3.58	-52.08
O=C(C1=CC=CC2=C1CCOC2)N1CCCC1C1=NN=N[N-]1	REAL250004587644	1	38	-1.0	-55.65	302.50	3.59	-52.06
O=C(CC1CCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587645	0	36	-1.0	-61.21	291.92	4.35	-56.86
O=C(CC1CCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587645	1	36	-1.0	-61.24	291.97	4.38	-56.86
O=C(CC1CCC(C2CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587646	0	41	-1.0	-60.16	326.13	5.16	-55.00
O=C(CC1CCC(C2CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587646	1	41	-1.0	-60.14	326.20	5.19	-54.95
COC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587647	0	36	-1.0	-61.28	304.89	1.64	-59.64
COC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587647	1	36	-1.0	-61.30	304.95	1.67	-59.63
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587648	0	40	-1.0	-52.94	295.70	4.95	-47.99
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587648	1	40	-1.0	-52.96	295.75	4.97	-47.99
O=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587649	0	31	-1.0	-54.62	271.86	2.48	-52.14
O=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587649	1	31	-1.0	-54.65	271.80	2.46	-52.19
CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C=O	REAL250004587650	0	33	-1.0	-55.96	278.08	2.79	-53.17
CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C=O	REAL250004587650	1	33	-1.0	-55.96	278.13	2.80	-53.16
O=CC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587651	0	31	-1.0	-56.17	268.96	1.51	-54.66
O=CC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587651	1	31	-1.0	-56.19	268.90	1.49	-54.70
CC(C)N1C=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587652	0	36	-1.0	-52.84	293.68	4.38	-48.46
CC(C)N1C=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587652	1	36	-1.0	-52.87	293.62	4.35	-48.52
CC1=CC=C(C#N)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587653	0	34	-1.0	-52.22	292.64	4.62	-47.60
CC1=CC=C(C#N)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587653	1	34	-1.0	-52.23	292.69	4.64	-47.59
O=C(C1=C2CCCNC2=NN1)N1CCCC1C1=N[N-]N=N1	REAL250004587654	0	36	-1.0	-51.27	288.22	1.18	-50.09
O=C(C1=C2CCCNC2=NN1)N1CCCC1C1=NN=N[N-]1	REAL250004587654	1	36	-1.0	-51.29	288.28	1.20	-50.09
O=C(C1=C2C=CC=CC2=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004587655	0	32	-1.0	-50.88	276.38	3.52	-47.36
O=C(C1=C2C=CC=CC2=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004587655	1	32	-1.0	-50.87	276.33	3.50	-47.37
O=C(C1=CC=C2OC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587656	0	32	-1.0	-43.45	265.69	-0.07	-43.52
O=C(C1=CC=C2OC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587656	1	32	-1.0	-43.48	265.62	-0.06	-43.54
CC1=NNC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587657	0	36	-1.0	-51.34	302.47	2.40	-48.94
CC1=NNC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587657	1	36	-1.0	-51.32	302.53	2.43	-48.89
O=C(C1=CC2=NNC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587658	0	32	-1.0	-48.63	265.48	-0.13	-48.76
O=C(C1=CC2=NNC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587658	1	32	-1.0	-48.57	265.42	-0.13	-48.70
O=C(C1=CC=C(CO)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587659	0	33	-1.0	-53.19	276.23	-0.79	-53.98
O=C(C1=CC=C(CO)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587659	1	33	-1.0	-53.20	276.28	-0.76	-53.96
CC1(O)CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587660	0	43	-1.0	-51.50	328.66	2.36	-49.14
CC1(O)CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587660	1	43	-1.0	-51.49	328.72	2.38	-49.11
CC(C)[C@H](NC(N)=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587661	0	38	-1.0	-47.91	294.84	-1.70	-49.61
CC(C)[C@H](NC(N)=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587661	1	38	-1.0	-47.88	294.90	-1.70	-49.58
C=C(CCC(=O)OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587662	0	36	-1.0	-55.60	310.09	3.60	-52.00
C=C(CCC(=O)OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587662	1	36	-1.0	-55.63	310.14	3.62	-52.01
O=C(CC1C=CS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587663	0	34	-1.0	-54.05	292.93	0.09	-53.96
O=C(CC1C=CS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587663	1	34	-1.0	-54.09	292.98	0.11	-53.98
O=C(C1=CSC2=CN=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004587664	0	30	-1.0	-48.15	275.99	4.06	-44.09
O=C(C1=CSC2=CN=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004587664	1	30	-1.0	-48.16	276.05	4.07	-44.09
CN1C=CN=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587665	0	36	-1.0	-52.03	301.15	3.81	-48.22
CN1C=CN=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587665	1	36	-1.0	-52.02	301.21	3.83	-48.19
O=C(C1=CN(CCO)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587666	0	34	-1.0	-56.39	287.38	-1.15	-57.54
O=C(C1=CN(CCO)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587666	1	34	-1.0	-56.37	287.33	-1.17	-57.54
COC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CN=C1F	REAL250004587667	0	33	-1.0	-54.36	285.18	2.10	-52.26
COC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CN=C1F	REAL250004587667	1	33	-1.0	-54.32	285.12	2.08	-52.24
CC1=CC(Cl)=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587668	0	32	-1.0	-50.67	286.87	3.80	-46.87
CC1=CC(Cl)=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587668	1	32	-1.0	-50.69	286.93	3.83	-46.86
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C=O)O1	REAL250004587669	0	32	-1.0	-54.60	274.69	2.88	-51.72
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C=O)O1	REAL250004587669	1	32	-1.0	-54.66	274.75	2.90	-51.76
O=C(C1=CC2=CNC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587670	0	33	-1.0	-75.28	281.33	2.74	-72.54
O=C(C1=CC2=CNC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587670	1	33	-1.0	-75.31	281.27	2.71	-72.60
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587671	0	37	-1.0	-54.54	310.65	3.64	-50.90
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587671	1	37	-1.0	-54.49	310.71	3.67	-50.82
O=C(C1=CC2=CC=CN2C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587672	0	33	-1.0	-58.45	280.50	6.01	-52.44
O=C(C1=CC2=CC=CN2C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587672	1	33	-1.0	-58.46	280.45	5.99	-52.47
C=CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL250004587673	0	43	-1.0	-50.34	315.65	5.45	-44.89
C=CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL250004587673	1	43	-1.0	-50.29	315.71	5.47	-44.82
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587674	0	36	-1.0	-52.86	307.23	4.04	-48.82
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587674	1	36	-1.0	-52.86	307.29	4.06	-48.80
O=C(C1=CC(Cl)=NC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587675	0	29	-1.0	-50.02	269.05	2.32	-47.70
O=C(C1=CC(Cl)=NC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587675	1	29	-1.0	-49.98	268.99	2.31	-47.67
CC1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)OC2=CC=C1	REAL250004587676	0	36	-1.0	-52.32	303.81	5.07	-47.25
CC1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)OC2=CC=C1	REAL250004587676	1	36	-1.0	-52.33	303.87	5.10	-47.23
CC(C)N1C=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587677	0	39	-1.0	-63.10	321.46	3.80	-59.30
CC(C)N1C=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587677	1	39	-1.0	-63.13	321.52	3.82	-59.31
O=C(C1=CC2=NC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004587678	0	32	-1.0	-54.49	277.75	2.62	-51.87
O=C(C1=CC2=NC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004587678	1	32	-1.0	-54.46	277.69	2.60	-51.86
CC1=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL250004587679	0	33	-1.0	-53.16	292.91	2.94	-50.22
CC1=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL250004587679	1	33	-1.0	-53.18	292.97	2.95	-50.23
CC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004587680	0	35	-1.0	-51.20	297.55	3.59	-47.61
CC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004587680	1	35	-1.0	-51.19	297.61	3.61	-47.58
O=C(C=CC1=CN=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587682	0	33	-1.0	-51.91	289.59	3.45	-48.46
O=C(C=CC1=CN=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587682	1	33	-1.0	-51.93	289.65	3.47	-48.46
CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587683	0	32	-1.0	-51.29	274.24	1.40	-49.89
CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587683	1	32	-1.0	-51.29	274.18	1.37	-49.92
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587684	0	37	-1.0	-52.18	292.83	2.38	-49.80
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587684	1	37	-1.0	-52.19	292.89	2.40	-49.79
CC1=CC=CC=C1C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587685	0	39	-1.0	-55.32	307.95	5.39	-49.93
CC1=CC=CC=C1C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587685	1	39	-1.0	-55.34	308.00	5.42	-49.92
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC=N1	REAL250004587686	0	32	-1.0	-50.85	275.94	1.01	-49.84
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC=N1	REAL250004587686	1	32	-1.0	-50.83	275.88	0.99	-49.84
O=C([C@@H]1CSCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587687	0	32	-1.0	-51.16	276.55	0.19	-50.97
O=C([C@@H]1CSCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587687	1	32	-1.0	-51.19	276.61	0.22	-50.97
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)C(F)F	REAL250004587689	0	35	-1.0	-52.00	282.43	3.75	-48.25
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)C(F)F	REAL250004587689	1	35	-1.0	-51.98	282.49	3.77	-48.21
CN1C(=O)CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587690	0	34	-1.0	-56.54	278.06	1.61	-54.93
CN1C(=O)CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587690	1	34	-1.0	-56.59	278.11	1.63	-54.96
O=C(C1CCCCC1F)N1CCCC1C1=N[N-]N=N1	REAL250004587691	0	36	-1.0	-53.11	286.55	4.21	-48.90
O=C(C1CCCCC1F)N1CCCC1C1=NN=N[N-]1	REAL250004587691	1	36	-1.0	-53.11	286.60	4.22	-48.89
CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL250004587692	0	35	-1.0	-53.30	286.21	4.06	-49.24
CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL250004587692	1	35	-1.0	-53.30	286.15	4.04	-49.26
O=C(C=CCl)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587693	0	34	-1.0	-59.04	309.06	1.15	-57.89
O=C(C=CCl)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587693	1	34	-1.0	-59.06	309.11	1.18	-57.88
O=C(C1=C2C=COC2=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587694	0	32	-1.0	-57.11	273.79	3.10	-54.01
O=C(C1=C2C=COC2=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587694	1	32	-1.0	-57.10	273.73	3.08	-54.02
CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004587695	0	35	-1.0	-54.86	287.23	3.93	-50.93
CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004587695	1	35	-1.0	-54.87	287.29	3.96	-50.91
CC1=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CNC2=N1	REAL250004587697	0	35	-1.0	-52.03	287.14	2.04	-49.99
CC1=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CNC2=N1	REAL250004587697	1	35	-1.0	-51.98	287.08	2.03	-49.95
O=C(C1CCC2=CNN=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587698	0	34	-1.0	-55.96	275.43	2.13	-53.83
O=C(C1CCC2=CNN=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587698	1	34	-1.0	-55.93	275.49	2.16	-53.77
O=C(CC1CCCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587699	0	40	-1.0	-52.03	302.16	2.98	-49.05
O=C(CC1CCCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587699	1	40	-1.0	-52.07	302.22	3.00	-49.07
C=CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587700	0	34	-1.0	-57.26	288.76	2.76	-54.50
C=CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587700	1	34	-1.0	-57.26	288.70	2.74	-54.52
O=C(C1CCCC2=C1NN=C2)N1CCCC1C1=N[N-]N=N1	REAL250004587701	0	37	-1.0	-54.62	298.46	2.53	-52.09
O=C(C1CCCC2=C1NN=C2)N1CCCC1C1=NN=N[N-]1	REAL250004587701	1	37	-1.0	-54.62	298.52	2.54	-52.08
CC1(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL250004587702	0	40	-1.0	-55.11	317.17	6.02	-49.09
CC1(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL250004587702	1	40	-1.0	-55.15	317.23	6.05	-49.10
CN1C=C(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004587703	0	32	-1.0	-62.88	275.28	1.21	-61.67
CN1C=C(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004587703	1	32	-1.0	-62.87	275.34	1.24	-61.63
CC1=NOC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587704	0	35	-1.0	-49.88	297.57	3.64	-46.24
CC1=NOC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587704	1	35	-1.0	-49.88	297.62	3.66	-46.22
O=C(C1=NOC(C2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587705	0	36	-1.0	-50.18	300.54	4.38	-45.80
O=C(C1=NOC(C2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587705	1	36	-1.0	-50.17	300.60	4.41	-45.76
CC1(C)C(CC(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004587706	0	42	-1.0	-53.50	322.30	5.31	-48.19
CC1(C)C(CC(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004587706	1	42	-1.0	-53.50	322.36	5.33	-48.17
CC1(C)CC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL250004587707	0	43	-1.0	-52.65	327.21	5.73	-46.92
CC1(C)CC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL250004587707	1	43	-1.0	-52.63	327.27	5.76	-46.87
NC1=CC=C(F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587708	0	32	-1.0	-49.35	270.00	1.82	-47.53
NC1=CC=C(F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587708	1	32	-1.0	-49.38	270.06	1.84	-47.54
O=C(CC1=CN=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587709	0	31	-1.0	-54.40	268.93	2.70	-51.70
O=C(CC1=CN=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587709	1	31	-1.0	-54.37	268.87	2.68	-51.69
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN=N1	REAL250004587710	0	31	-1.0	-43.13	256.13	0.72	-42.41
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN=N1	REAL250004587710	1	31	-1.0	-43.12	256.20	0.74	-42.38
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC(C)(C)C1	REAL250004587711	0	45	-1.0	-53.76	330.88	5.40	-48.36
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC(C)(C)C1	REAL250004587711	1	45	-1.0	-53.78	330.94	5.43	-48.35
O=C(C1=CN2C=CN=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587712	0	32	-1.0	-53.28	276.90	3.16	-50.12
O=C(C1=CN2C=CN=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587712	1	32	-1.0	-53.23	276.85	3.14	-50.09
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL250004587713	0	38	-1.0	-58.59	311.87	2.83	-55.76
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL250004587713	1	38	-1.0	-58.61	311.93	2.86	-55.75
CC[C@H](C)[C@H](O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587714	0	36	-1.0	-51.80	278.47	1.48	-50.32
CC[C@H](C)[C@H](O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587714	1	36	-1.0	-51.83	278.53	1.49	-50.34
CC(C)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004587715	0	44	-1.0	-52.85	326.52	5.15	-47.70
CC(C)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004587715	1	44	-1.0	-52.84	326.58	5.16	-47.68
CC1(C)C2CCC(C2)C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587716	0	43	-1.0	-51.33	305.86	5.24	-46.09
CC1(C)C2CCC(C2)C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587716	1	43	-1.0	-51.32	305.92	5.27	-46.05
O=C(C1=CC=C(F)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587717	0	31	-1.0	-48.86	268.56	0.80	-48.06
O=C(C1=CC=C(F)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587717	1	31	-1.0	-48.87	268.62	0.83	-48.04
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587719	1	31	-1.0	-48.86	278.37	1.29	-47.57
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587719	1	31	-1.0	-48.89	278.43	1.32	-47.57
CN1C=CC2=C1C=C(C(=O)N1CCCC1C1=NN=N[N-]1)N2	REAL250004587721	0	35	-1.0	-56.40	290.73	3.62	-52.78
CN1C=CC2=C1C=C(C(=O)N1CCCC1C1=N[N-]N=N1)N2	REAL250004587721	1	35	-1.0	-56.38	290.67	3.61	-52.77
C[C@@H](C(=O)N1CCCC1C1=NN=N[N-]1)N1C=NN=N1	REAL250004587723	0	31	-1.0	-55.22	262.41	1.31	-53.91
C[C@@H](C(=O)N1CCCC1C1=N[N-]N=N1)N1C=NN=N1	REAL250004587723	1	31	-1.0	-55.20	262.35	1.28	-53.92
CNC(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587724	0	33	-1.0	-50.81	278.84	0.00	-50.81
CNC(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587724	1	33	-1.0	-50.81	278.89	0.02	-50.79
C=C(F)C1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCC1	REAL250004587725	0	37	-1.0	-53.47	295.62	4.52	-48.95
C=C(F)C1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCC1	REAL250004587725	1	37	-1.0	-53.51	295.68	4.55	-48.96
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL250004587726	0	31	-1.0	-38.13	270.46	3.54	-34.59
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL250004587726	1	31	-1.0	-38.13	270.52	3.53	-34.60
NC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004587727	0	33	-1.0	-40.71	276.13	-1.84	-42.55
NC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004587727	1	33	-1.0	-40.74	276.06	-1.85	-42.59
O=C(CC(O)C1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587728	0	40	-1.0	-55.34	313.60	2.64	-52.70
O=C(CC(O)C1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587728	1	40	-1.0	-55.33	313.66	2.67	-52.66
NC(=O)C1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587729	0	33	-1.0	-65.78	283.46	-0.46	-66.24
NC(=O)C1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587729	1	33	-1.0	-65.74	283.41	-0.48	-66.22
CC1(OCC(=O)N2CCCC2C2=N[N-]N=N2)CCCC1	REAL250004587730	0	40	-1.0	-56.39	312.84	4.49	-51.90
CC1(OCC(=O)N2CCCC2C2=NN=N[N-]2)CCCC1	REAL250004587730	1	40	-1.0	-56.37	312.90	4.51	-51.86
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587731	0	35	-1.0	-57.38	294.71	5.04	-52.34
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587731	1	35	-1.0	-57.39	294.65	5.02	-52.37
O=C(CCC1CC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587732	0	36	-1.0	-51.84	302.29	4.69	-47.15
O=C(CCC1CC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587732	1	36	-1.0	-51.85	302.34	4.72	-47.13
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1F	REAL250004587733	0	32	-1.0	-50.94	275.33	3.33	-47.61
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1F	REAL250004587733	1	32	-1.0	-50.95	275.26	3.31	-47.64
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC1C1=N[N-]N=N1	REAL250004587734	0	35	-1.0	-52.56	280.34	2.48	-50.08
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC1C1=NN=N[N-]1	REAL250004587734	1	35	-1.0	-52.55	280.40	2.51	-50.04
CC1(C)CC1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587735	0	39	-1.0	-51.92	312.44	5.15	-46.77
CC1(C)CC1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587735	1	39	-1.0	-51.90	312.49	5.18	-46.72
O=C(COC1=CC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587736	0	33	-1.0	-53.21	292.13	2.11	-51.10
O=C(COC1=CC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587736	1	33	-1.0	-53.18	292.07	2.08	-51.10
CC1(C)COCC(CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587737	0	41	-1.0	-56.25	321.66	2.95	-53.30
CC1(C)COCC(CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587737	1	41	-1.0	-56.25	321.71	2.98	-53.27
CC1(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL250004587738	0	40	-1.0	-54.89	301.86	2.67	-52.22
CC1(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL250004587738	1	40	-1.0	-54.88	301.92	2.69	-52.19
O=C(CCCCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587739	0	35	-1.0	-50.98	301.94	4.39	-46.59
O=C(CCCCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587739	1	35	-1.0	-51.00	302.00	4.41	-46.59
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587740	0	34	-1.0	-55.14	291.09	2.28	-52.86
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587740	1	34	-1.0	-55.14	291.15	2.30	-52.84
CN1N=CC=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587741	0	33	-1.0	-48.86	286.45	2.10	-46.76
CN1N=CC=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587741	1	33	-1.0	-48.89	286.40	2.07	-46.82
COC1CCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587742	0	37	-1.0	-56.86	292.96	2.62	-54.24
COC1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587742	1	37	-1.0	-56.85	293.02	2.65	-54.20
O=C(C1CC2CCCC21)N1CCCC1C1=N[N-]N=N1	REAL250004587743	0	37	-1.0	-53.66	288.45	4.67	-48.99
O=C(C1CC2CCCC21)N1CCCC1C1=NN=N[N-]1	REAL250004587743	1	37	-1.0	-53.63	288.50	4.70	-48.93
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587744	0	36	-1.0	-62.13	300.28	3.59	-58.54
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587744	1	36	-1.0	-62.20	300.34	3.62	-58.58
CCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004587745	0	32	-1.0	-53.29	282.08	2.89	-50.40
CCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004587745	1	32	-1.0	-53.28	282.14	2.92	-50.36
O=C(C1=NNC=C1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587746	0	34	-1.0	-57.60	282.75	2.77	-54.83
O=C(C1=NNC=C1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587746	1	34	-1.0	-57.63	282.81	2.79	-54.84
O=C(C1CCC2CC2CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587747	0	40	-1.0	-52.14	304.61	5.27	-46.87
O=C(C1CCC2CC2CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587747	1	40	-1.0	-52.15	304.67	5.29	-46.86
O=C(CC1CCC=CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587748	0	40	-1.0	-52.57	305.35	5.36	-47.21
O=C(CC1CCC=CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587748	1	40	-1.0	-52.58	305.40	5.38	-47.20
CC(=O)N1CSC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587749	0	35	-1.0	-63.86	296.27	3.15	-60.71
CC(=O)N1CSC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587749	1	35	-1.0	-63.85	296.32	3.16	-60.69
O=C(C1=CCCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587750	0	35	-1.0	-52.28	282.05	2.32	-49.96
O=C(C1=CCCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587750	1	35	-1.0	-52.29	282.11	2.33	-49.96
CC1(C)CCC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587751	0	40	-1.0	-53.26	299.72	4.70	-48.56
CC1(C)CCC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587751	1	40	-1.0	-53.26	299.78	4.72	-48.54
O=C(C=CC1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587752	0	33	-1.0	-53.30	283.09	3.39	-49.91
O=C(C=CC1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587752	1	33	-1.0	-53.32	283.15	3.41	-49.91
O=C(C1=CC=C(C2CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587753	0	34	-1.0	-51.87	289.29	4.45	-47.42
O=C(C1=CC=C(C2CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587753	1	34	-1.0	-51.91	289.35	4.48	-47.43
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)F	REAL250004587754	0	33	-1.0	-54.86	287.62	2.64	-52.22
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)F	REAL250004587754	1	33	-1.0	-54.87	287.68	2.66	-52.21
O=CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587755	0	29	-1.0	-51.36	256.48	1.45	-49.91
O=CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587755	1	29	-1.0	-51.39	256.54	1.47	-49.92
O=C(C1=CN=C2SCCN12)N1CCCC1C1=NN=N[N-]1	REAL250004587756	0	32	-1.0	-53.09	277.53	2.75	-50.34
O=C(C1=CN=C2SCCN12)N1CCCC1C1=N[N-]N=N1	REAL250004587756	1	32	-1.0	-53.06	277.47	2.74	-50.32
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587757	0	38	-1.0	-53.42	294.35	5.25	-48.17
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587757	1	38	-1.0	-53.43	294.41	5.27	-48.16
CC1CC2CC2CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587758	0	40	-1.0	-52.05	302.13	5.07	-46.98
CC1CC2CC2CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587758	1	40	-1.0	-52.04	302.18	5.09	-46.95
CN1C=CC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587759	0	33	-1.0	-69.75	285.35	3.06	-66.69
CN1C=CC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587759	1	33	-1.0	-69.72	285.41	3.07	-66.65
O=C(CC1=NOC(C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587760	0	36	-1.0	-62.35	307.05	4.44	-57.91
O=C(CC1=NOC(C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587760	1	36	-1.0	-62.35	307.11	4.46	-57.89
CCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004587761	0	33	-1.0	-54.85	277.83	2.44	-52.41
CCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004587761	1	33	-1.0	-54.83	277.88	2.46	-52.37
O=C(C=CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587762	0	34	-1.0	-53.65	288.24	5.15	-48.50
O=C(C=CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587762	1	34	-1.0	-53.65	288.30	5.18	-48.47
O=C(C=CC1=CC=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587763	0	34	-1.0	-54.33	294.70	5.22	-49.11
O=C(C=CC1=CC=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587763	1	34	-1.0	-54.36	294.76	5.24	-49.12
O=C(C1=CC=CC(F)=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004587764	1	31	-1.0	-57.09	267.49	1.90	-55.19
O=C(C1=CC=CC(F)=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004587764	1	31	-1.0	-57.05	267.55	1.92	-55.13
COC1=CC(C#N)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587765	0	35	-1.0	-41.00	293.21	4.04	-36.96
COC1=CC(C#N)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587765	1	35	-1.0	-41.00	293.27	4.03	-36.97
COC1=CC(=O)NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587766	0	34	-1.0	-52.84	293.58	0.16	-52.68
COC1=CC(=O)NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587766	1	34	-1.0	-52.79	293.64	0.17	-52.62
CC1=CC=CC(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587767	0	35	-1.0	-47.65	293.87	4.48	-43.17
CC1=CC=CC(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587767	1	35	-1.0	-47.65	293.93	4.50	-43.15
O=C(COC1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587768	0	43	-1.0	-55.34	327.18	5.13	-50.21
O=C(COC1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587768	1	43	-1.0	-55.34	327.24	5.15	-50.19
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCC1C1=N[N-]N=N1	REAL250004587769	0	40	-1.0	-54.31	299.61	5.25	-49.06
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCC1C1=NN=N[N-]1	REAL250004587769	1	40	-1.0	-54.35	299.67	5.28	-49.07
CC1(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL250004587771	0	40	-1.0	-52.28	317.77	6.07	-46.21
CC1(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL250004587771	1	40	-1.0	-52.28	317.83	6.09	-46.19
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587772	0	38	-1.0	-53.59	311.10	4.51	-49.08
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587772	1	38	-1.0	-53.56	311.15	4.54	-49.02
O=C(C1=NC=CC2=NC=NC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587773	0	33	-1.0	-51.09	279.71	2.86	-48.23
O=C(C1=NC=CC2=NC=NC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587773	1	33	-1.0	-51.11	279.65	2.84	-48.27
O=C(C1=NC2=CNN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587774	0	32	-1.0	-57.46	274.65	1.37	-56.09
O=C(C1=NC2=CNN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587774	1	32	-1.0	-57.48	274.59	1.35	-56.13
O=C(C(O)C1(O)CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587775	0	39	-1.0	-52.32	297.16	-2.28	-54.60
O=C(C(O)C1(O)CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587775	1	39	-1.0	-52.33	297.22	-2.26	-54.59
O=C(C1=CC=C(CO)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587776	0	33	-1.0	-54.89	281.40	0.06	-54.83
O=C(C1=CC=C(CO)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587776	1	33	-1.0	-54.93	281.34	0.03	-54.90
CC1=NOC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587777	0	32	-1.0	-53.85	276.05	2.66	-51.19
CC1=NOC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587777	1	32	-1.0	-53.83	276.11	2.68	-51.15
CN1N=CC(Cl)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587778	0	33	-1.0	-55.38	296.88	2.70	-52.68
CN1N=CC(Cl)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587778	1	33	-1.0	-55.37	296.94	2.73	-52.64
O=C(C1=CN2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587779	0	36	-1.0	-56.98	291.79	2.49	-54.49
O=C(C1=CN2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587779	1	36	-1.0	-57.01	291.85	2.50	-54.51
CCN1C(=O)NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587780	0	34	-1.0	-54.71	281.46	1.25	-53.46
CCN1C(=O)NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587780	1	34	-1.0	-54.72	281.52	1.26	-53.46
CNC1=NC=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587781	0	34	-1.0	-50.81	280.48	2.09	-48.72
CNC1=NC=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587781	1	34	-1.0	-50.85	280.53	2.11	-48.74
COC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587782	0	34	-1.0	-54.81	281.94	2.49	-52.32
COC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587782	1	34	-1.0	-54.81	281.99	2.52	-52.29
O=C(CC1CCC2CC2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587783	0	40	-1.0	-52.53	306.73	5.56	-46.97
O=C(CC1CCC2CC2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587783	1	40	-1.0	-52.53	306.79	5.58	-46.95
CC1=NSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587784	0	29	-1.0	-49.80	258.53	1.80	-48.00
CC1=NSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587784	1	29	-1.0	-49.79	258.59	1.82	-47.97
CC(C)C(O)C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587785	0	36	-1.0	-47.41	294.30	0.97	-46.44
CC(C)C(O)C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587785	1	36	-1.0	-47.41	294.36	1.00	-46.41
C#CC1(O)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587786	0	33	-1.0	-53.60	283.67	0.66	-52.94
C#CC1(O)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587786	1	33	-1.0	-53.61	283.73	0.68	-52.93
O=C(C1=C2C=CC=CN2C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587787	0	33	-1.0	-63.07	279.90	5.75	-57.32
O=C(C1=C2C=CC=CN2C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587787	1	33	-1.0	-63.06	279.84	5.72	-57.34
CC1=CC=CN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL250004587788	0	36	-1.0	-58.51	303.61	4.49	-54.02
CC1=CC=CN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL250004587788	1	36	-1.0	-58.52	303.55	4.48	-54.04
CN1N=CC2=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL250004587789	0	35	-1.0	-44.35	289.35	0.99	-43.36
CN1N=CC2=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL250004587789	1	35	-1.0	-44.35	289.29	1.00	-43.35
CC1(C2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=NO2)CC1	REAL250004587791	0	35	-1.0	-54.56	299.11	1.87	-52.69
CC1(C2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=NO2)CC1	REAL250004587791	1	35	-1.0	-54.53	299.05	1.84	-52.69
CCOCCOCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587792	0	40	-1.0	-51.10	330.27	1.95	-49.15
CCOCCOCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587792	1	40	-1.0	-51.13	330.32	1.98	-49.15
CC1(OCC(=O)N2CCCC2C2=N[N-]N=N2)CCOCC1	REAL250004587793	0	41	-1.0	-56.17	319.01	2.73	-53.44
CC1(OCC(=O)N2CCCC2C2=NN=N[N-]2)CCOCC1	REAL250004587793	1	41	-1.0	-56.15	319.06	2.75	-53.40
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004587794	0	38	-1.0	-51.68	304.80	3.53	-48.15
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004587794	1	38	-1.0	-51.63	304.85	3.56	-48.07
CC1=CSC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587795	0	33	-1.0	-51.94	291.11	4.45	-47.49
CC1=CSC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587795	1	33	-1.0	-51.91	291.17	4.48	-47.43
O=C(C#CC1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004587796	0	36	-1.0	-52.56	301.67	3.24	-49.32
O=C(C#CC1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004587796	1	36	-1.0	-52.53	301.73	3.27	-49.26
O=C(CC1CC(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587798	0	33	-1.0	-50.58	273.68	3.83	-46.75
O=C(CC1CC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587798	1	33	-1.0	-50.58	273.74	3.86	-46.72
O=C(C1CC2(CC2(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587799	0	34	-1.0	-51.13	291.03	4.47	-46.66
O=C(C1CC2(CC2(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587799	1	34	-1.0	-51.14	291.08	4.49	-46.65
O=C(CSC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587800	0	33	-1.0	-53.90	295.90	3.59	-50.31
O=C(CSC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587800	1	33	-1.0	-53.90	295.84	3.57	-50.33
O=C(C1=CN2N=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587801	0	32	-1.0	-51.35	281.74	4.35	-47.00
O=C(C1=CN2N=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587801	1	32	-1.0	-51.34	281.68	4.33	-47.01
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(C=O)=C1	REAL250004587802	0	33	-1.0	-53.80	279.52	2.23	-51.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(C=O)=C1	REAL250004587802	1	33	-1.0	-53.78	279.58	2.25	-51.53
O=C(C1CCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL250004587803	0	30	-1.0	-61.71	262.55	-0.03	-61.74
O=C(C1CCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL250004587803	1	30	-1.0	-61.72	262.60	-0.01	-61.73
O=C(CC(O)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587804	0	34	-1.0	-55.18	282.20	1.56	-53.62
O=C(CC(O)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587804	1	34	-1.0	-55.21	282.25	1.58	-53.63
O=C(C1=C2NCCCN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587805	0	36	-1.0	-54.84	292.70	1.06	-53.78
O=C(C1=C2NCCCN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587805	1	36	-1.0	-54.80	292.65	1.05	-53.75
CC1=NSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004587806	0	31	-1.0	-49.77	267.53	-0.08	-49.85
CC1=NSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004587806	1	31	-1.0	-49.76	267.59	-0.05	-49.81
O=C(C=CC1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004587807	0	30	-1.0	-51.28	275.84	2.48	-48.80
O=C(C=CC1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004587807	1	30	-1.0	-51.25	275.90	2.50	-48.75
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004587808	0	37	-1.0	-40.67	293.56	3.09	-37.58
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004587808	1	37	-1.0	-40.68	293.62	3.08	-37.60
COC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CS1	REAL250004587809	0	31	-1.0	-58.61	273.29	2.40	-56.21
COC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CS1	REAL250004587809	1	31	-1.0	-58.62	273.35	2.42	-56.20
O=C(C1C(F)(F)C12CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587810	0	34	-1.0	-54.27	287.11	4.52	-49.75
O=C(C1C(F)(F)C12CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587810	1	34	-1.0	-54.29	287.17	4.54	-49.75
COCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCC1	REAL250004587811	0	43	-1.0	-52.20	329.04	3.96	-48.24
COCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCC1	REAL250004587811	1	43	-1.0	-52.18	329.10	3.98	-48.20
O=C(C1=CC=CC(CCl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587812	0	33	-1.0	-54.43	289.24	4.82	-49.61
O=C(C1=CC=CC(CCl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587812	1	33	-1.0	-54.49	289.30	4.85	-49.64
N#CC1=C(N)N(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587813	0	33	-1.0	-54.12	295.39	1.36	-52.76
N#CC1=C(N)N(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587813	1	33	-1.0	-54.12	295.33	1.33	-52.79
CCCC(C(=O)OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587814	0	38	-1.0	-49.90	305.42	3.77	-46.13
CCCC(C(=O)OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587814	1	38	-1.0	-49.91	305.47	3.80	-46.11
O=C(CCC[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL250004587815	0	31	-1.0	-57.98	269.91	2.85	-55.13
O=C(CCC[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL250004587815	1	31	-1.0	-58.01	269.97	2.88	-55.13
C[C@H](CC1CCCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587816	0	45	-1.0	-53.37	332.61	5.93	-47.44
C[C@H](CC1CCCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587816	1	45	-1.0	-53.35	332.67	5.96	-47.39
CC1=CC(COCC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004587817	0	36	-1.0	-56.45	309.93	3.26	-53.19
CC1=CC(COCC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004587817	1	36	-1.0	-56.42	309.98	3.28	-53.14
CCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL250004587818	0	39	-1.0	-56.48	315.38	3.56	-52.92
CCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL250004587818	1	39	-1.0	-56.52	315.44	3.57	-52.95
CCCN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587819	0	39	-1.0	-52.34	316.09	3.49	-48.85
CCCN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587819	1	39	-1.0	-52.36	316.14	3.50	-48.86
O=C(C#CC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587820	0	38	-1.0	-53.01	310.66	5.61	-47.40
O=C(C#CC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587820	1	38	-1.0	-53.03	310.72	5.63	-47.40
O=C(C1=NNC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587821	0	27	-1.0	-55.74	249.59	1.16	-54.58
O=C(C1=NNC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587821	1	27	-1.0	-55.70	249.65	1.18	-54.52
O=C(C(O)C1(O)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587822	0	35	-1.0	-48.16	276.06	-0.76	-48.92
O=C(C(O)C1(O)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587822	1	35	-1.0	-48.16	276.11	-0.74	-48.90
CC(O)C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587824	0	30	-1.0	-51.43	256.40	0.53	-50.90
CC(O)C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587824	1	30	-1.0	-51.42	256.46	0.56	-50.86
CC(CN1C=CN=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587825	0	36	-1.0	-48.62	298.40	4.65	-43.97
CC(CN1C=CN=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587825	1	36	-1.0	-48.62	298.46	4.67	-43.95
O=C(N1CC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587826	0	36	-1.0	-54.79	290.61	4.58	-50.21
O=C(N1CC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587826	1	36	-1.0	-54.78	290.66	4.59	-50.19
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004587827	0	38	-1.0	-52.68	295.38	3.99	-48.69
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004587827	1	38	-1.0	-52.68	295.43	4.00	-48.68
O=C(C1=CC=CC2=CC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004587828	0	33	-1.0	-58.17	286.56	3.46	-54.71
O=C(C1=CC=CC2=CC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004587828	1	33	-1.0	-58.22	286.50	3.45	-54.77
COC(=O)C1(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587829	0	39	-1.0	-49.31	309.52	3.80	-45.51
COC(=O)C1(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587829	1	39	-1.0	-49.34	309.57	3.81	-45.53
O=C(C1=COC2=C1COC2)N1CCCC1C1=N[N-]N=N1	REAL250004587830	0	32	-1.0	-55.09	271.00	1.15	-53.94
O=C(C1=COC2=C1COC2)N1CCCC1C1=NN=N[N-]1	REAL250004587830	1	32	-1.0	-55.11	271.06	1.16	-53.95
CC(C)N1C=NN=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587831	0	38	-1.0	-64.44	315.12	4.83	-59.61
CC(C)N1C=NN=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587831	1	38	-1.0	-64.40	315.18	4.85	-59.55
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587832	0	39	-1.0	-53.45	311.32	4.29	-49.16
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587832	1	39	-1.0	-53.45	311.38	4.31	-49.14
N#CC1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587833	0	31	-1.0	-57.65	280.78	2.54	-55.11
N#CC1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587833	1	31	-1.0	-57.62	280.72	2.51	-55.11
O=C(CCC1=CON=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587834	0	32	-1.0	-50.61	275.68	2.90	-47.71
O=C(CCC1=CON=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587834	1	32	-1.0	-50.63	275.62	2.87	-47.76
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587835	0	39	-1.0	-51.12	314.68	4.41	-46.71
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587835	1	39	-1.0	-51.11	314.74	4.43	-46.68
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004587836	0	33	-1.0	-57.52	276.59	2.44	-55.08
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004587836	1	33	-1.0	-57.49	276.65	2.47	-55.02
O=C(C1C2CCOCC21)N1CCCC1C1=N[N-]N=N1	REAL250004587837	0	35	-1.0	-51.72	282.19	2.53	-49.19
O=C(C1C2CCOCC21)N1CCCC1C1=NN=N[N-]1	REAL250004587837	1	35	-1.0	-51.72	282.25	2.56	-49.16
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587838	0	36	-1.0	-54.64	302.16	4.23	-50.41
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587838	1	36	-1.0	-54.66	302.21	4.25	-50.41
CC1=CC=C(C(C)CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587839	0	42	-1.0	-52.07	335.51	6.59	-45.48
CC1=CC=C(C(C)CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587839	1	42	-1.0	-52.05	335.57	6.61	-45.44
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)CC1CC1	REAL250004587840	0	33	-1.0	-46.51	279.47	3.97	-42.54
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)CC1CC1	REAL250004587840	1	33	-1.0	-46.51	279.53	4.00	-42.51
O=C(C#CC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004587841	0	33	-1.0	-55.89	283.82	2.62	-53.27
O=C(C#CC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004587841	1	33	-1.0	-55.88	283.88	2.64	-53.24
COC1=NOC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587842	0	33	-1.0	-57.52	287.17	0.27	-57.25
COC1=NOC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587842	1	33	-1.0	-57.46	287.23	0.29	-57.17
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C)O1	REAL250004587843	0	36	-1.0	-52.78	296.95	4.06	-48.72
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C)O1	REAL250004587843	1	36	-1.0	-52.81	297.00	4.08	-48.73
CN1N=NC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL250004587844	0	35	-1.0	-54.75	291.19	2.00	-52.75
CN1N=NC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL250004587844	1	35	-1.0	-54.74	291.13	1.98	-52.76
O=C(C1=CC=C(Cl)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587845	0	28	-1.0	-49.85	253.92	2.32	-47.53
O=C(C1=CC=C(Cl)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587845	1	28	-1.0	-49.79	253.98	2.34	-47.45
CC1=C(C)NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587846	0	34	-1.0	-54.88	279.76	3.16	-51.72
CC1=C(C)NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587846	1	34	-1.0	-54.88	279.82	3.17	-51.71
CCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004587847	0	36	-1.0	-52.01	296.20	4.10	-47.91
CCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004587847	1	36	-1.0	-51.99	296.26	4.12	-47.87
CC1OCCC1(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587848	0	34	-1.0	-50.52	274.47	1.59	-48.93
CC1OCCC1(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587848	1	34	-1.0	-50.53	274.53	1.62	-48.91
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587849	0	37	-1.0	-58.36	311.08	3.74	-54.62
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587849	1	37	-1.0	-58.36	311.14	3.77	-54.59
O=C(C1CCCC2=C1NC=N2)N1CCCC1C1=N[N-]N=N1	REAL250004587850	0	37	-1.0	-53.27	298.52	3.65	-49.62
O=C(C1CCCC2=C1NC=N2)N1CCCC1C1=NN=N[N-]1	REAL250004587850	1	37	-1.0	-53.29	298.58	3.66	-49.63
O=C(C1CCN2N=CN=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587851	0	36	-1.0	-50.88	295.03	3.85	-47.03
O=C(C1CCN2N=CN=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587851	1	36	-1.0	-50.86	295.09	3.86	-47.00
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCCOC1	REAL250004587852	0	41	-1.0	-55.99	315.57	2.54	-53.45
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCCOC1	REAL250004587852	1	41	-1.0	-56.00	315.63	2.55	-53.45
CN1C=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL250004587853	0	37	-1.0	-57.15	304.45	5.33	-51.82
CN1C=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL250004587853	1	37	-1.0	-57.13	304.40	5.30	-51.83
CCC(C)(C)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587854	0	44	-1.0	-52.05	331.77	5.41	-46.64
CCC(C)(C)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587854	1	44	-1.0	-52.06	331.82	5.44	-46.62
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004587855	0	40	-1.0	-54.81	328.54	6.66	-48.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004587855	1	40	-1.0	-54.87	328.60	6.69	-48.18
CCCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL250004587856	0	39	-1.0	-52.14	318.44	4.85	-47.29
CCCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL250004587856	1	39	-1.0	-52.16	318.49	4.86	-47.30
CN1C=CC2=CC=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL250004587857	0	36	-1.0	-59.00	302.22	3.56	-55.44
CN1C=CC2=CC=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL250004587857	1	36	-1.0	-59.01	302.17	3.54	-55.47
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC=N1	REAL250004587858	0	32	-1.0	-51.44	270.14	0.09	-51.35
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC=N1	REAL250004587858	1	32	-1.0	-51.41	270.20	0.12	-51.29
O=C(C1=CCCS1)N1CCCC1C1=N[N-]N=N1	REAL250004587859	0	29	-1.0	-52.47	251.07	2.73	-49.74
O=C(C1=CCCS1)N1CCCC1C1=NN=N[N-]1	REAL250004587859	1	29	-1.0	-52.51	251.13	2.74	-49.77
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587860	0	34	-1.0	-54.17	287.02	2.07	-52.10
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587860	1	34	-1.0	-54.16	286.96	2.04	-52.12
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=CS1	REAL250004587861	0	29	-1.0	-52.95	255.80	2.28	-50.67
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=CS1	REAL250004587861	1	29	-1.0	-52.94	255.74	2.27	-50.67
O=C(C1=CSC2=NC=CN12)N1CCCC1C1=NN=N[N-]1	REAL250004587862	0	30	-1.0	-49.05	276.11	3.40	-45.65
O=C(C1=CSC2=NC=CN12)N1CCCC1C1=N[N-]N=N1	REAL250004587862	1	30	-1.0	-49.06	276.06	3.39	-45.67
CSC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004587863	0	36	-1.0	-54.73	288.83	3.63	-51.10
CSC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004587863	1	36	-1.0	-54.77	288.89	3.64	-51.13
NC(=O)C1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004587864	0	32	-1.0	-48.36	280.38	-2.27	-50.63
NC(=O)C1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004587864	1	32	-1.0	-48.38	280.33	-2.30	-50.68
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=N1	REAL250004587865	0	35	-1.0	-51.57	288.75	3.03	-48.54
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=N1	REAL250004587865	1	35	-1.0	-51.57	288.81	3.04	-48.53
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004587866	0	36	-1.0	-50.53	297.63	5.08	-45.45
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004587866	1	36	-1.0	-50.53	297.68	5.10	-45.43
O=C(C1CCCC2=NC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004587867	0	36	-1.0	-65.60	294.99	4.01	-61.59
O=C(C1CCCC2=NC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004587867	1	36	-1.0	-65.66	295.05	4.02	-61.64
O=C(CC1(O)CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004587868	0	38	-1.0	-57.07	298.65	0.77	-56.30
O=C(CC1(O)CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004587868	1	38	-1.0	-57.07	298.71	0.80	-56.27
N#CC1=CNN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587869	0	28	-1.0	-62.96	254.84	1.13	-61.83
N#CC1=CNN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587869	1	28	-1.0	-62.95	254.90	1.14	-61.81
O=C(C=CC1=COC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587870	0	30	-1.0	-54.74	266.06	-0.05	-54.79
O=C(C=CC1=COC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587870	1	30	-1.0	-54.73	266.11	-0.02	-54.75
O=C(CCC1=NNC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587871	0	33	-1.0	-53.13	280.48	1.84	-51.29
O=C(CCC1=NNC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587871	1	33	-1.0	-53.13	280.54	1.87	-51.26
CN1C=CN=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587872	0	33	-1.0	-56.97	284.61	3.50	-53.47
CN1C=CN=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587872	1	33	-1.0	-56.98	284.55	3.47	-53.51
CCC1=CNC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587873	0	34	-1.0	-58.69	279.94	2.93	-55.76
CCC1=CNC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587873	1	34	-1.0	-58.72	279.99	2.95	-55.77
O=C(CC1(O)CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004587874	0	35	-1.0	-52.22	279.74	-0.21	-52.43
O=C(CC1(O)CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004587874	1	35	-1.0	-52.25	279.80	-0.19	-52.44
CN(C)C(=O)C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587875	0	34	-1.0	-50.77	286.77	1.73	-49.04
CN(C)C(=O)C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587875	1	34	-1.0	-50.79	286.83	1.76	-49.03
O=C(C=CC(=O)N1CCCC1C1=N[N-]N=N1)NC1CC1	REAL250004587876	0	35	-1.0	-50.50	301.80	1.51	-48.99
O=C(C=CC(=O)N1CCCC1C1=NN=N[N-]1)NC1CC1	REAL250004587876	1	35	-1.0	-50.54	301.86	1.53	-49.01
CC1=CN(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004587877	0	36	-1.0	-54.55	295.57	2.94	-51.61
CC1=CN(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004587877	1	36	-1.0	-54.56	295.51	2.91	-51.65
O=C(C=CC1=CC=C(F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587878	0	33	-1.0	-52.48	289.49	3.33	-49.15
O=C(C=CC1=CC=C(F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587878	1	33	-1.0	-52.52	289.55	3.34	-49.18
O=C(COC1=NOC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587879	0	30	-1.0	-56.46	266.19	0.72	-55.74
O=C(COC1=NOC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587879	1	30	-1.0	-56.50	266.13	0.69	-55.81
O=C(C1=CC2=NC=NN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587881	0	32	-1.0	-39.48	265.72	3.47	-36.01
O=C(C1=CC2=NC=NN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587881	1	32	-1.0	-39.50	265.66	3.47	-36.03
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCC1C1=N[N-]N=N1	REAL250004587882	0	38	-1.0	-53.58	286.64	2.58	-51.00
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCC1C1=NN=N[N-]1	REAL250004587882	1	38	-1.0	-53.59	286.70	2.60	-50.99
CN1N=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=CN=C21	REAL250004587883	0	34	-1.0	-50.30	290.58	3.40	-46.90
CN1N=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=CN=C21	REAL250004587883	1	34	-1.0	-50.27	290.52	3.38	-46.89
O=C(CC1(CO)CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587884	0	37	-1.0	-50.71	291.31	0.80	-49.91
O=C(CC1(CO)CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587884	1	37	-1.0	-50.74	291.37	0.83	-49.91
CC1=CC=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587885	0	33	-1.0	-54.14	287.72	4.71	-49.43
CC1=CC=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587885	1	33	-1.0	-54.14	287.78	4.72	-49.42
CCC(CCOC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587886	0	39	-1.0	-55.01	304.00	2.39	-52.62
CCC(CCOC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587886	1	39	-1.0	-55.01	304.06	2.40	-52.61
CC1=NC(N)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587887	0	33	-1.0	-49.44	275.17	1.50	-47.94
CC1=NC(N)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587887	1	33	-1.0	-49.52	275.22	1.51	-48.01
O=C(C1=CC=C(F)C(O)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587888	1	31	-1.0	-39.15	266.68	0.38	-38.77
O=C(C1=CC=C(F)C(O)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587888	1	31	-1.0	-39.14	266.74	0.38	-38.76
O=C(C1=COC2=CC=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL250004587889	0	34	-1.0	-51.97	289.15	3.94	-48.03
O=C(C1=COC2=CC=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL250004587889	1	34	-1.0	-51.96	289.21	3.96	-48.00
CN1N=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587890	0	33	-1.0	-55.67	279.51	2.19	-53.48
CN1N=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587890	1	33	-1.0	-55.67	279.57	2.22	-53.45
CC1(C#CC(=O)N2CCCC2C2=N[N-]N=N2)CCCO1	REAL250004587891	0	36	-1.0	-52.09	303.43	3.12	-48.97
CC1(C#CC(=O)N2CCCC2C2=NN=N[N-]2)CCCO1	REAL250004587891	1	36	-1.0	-52.09	303.48	3.15	-48.94
O=C(C1CSC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587892	0	29	-1.0	-56.33	259.79	-0.65	-56.98
O=C(C1CSC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587892	1	29	-1.0	-56.31	259.84	-0.63	-56.94
NC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL250004587893	0	31	-1.0	-59.14	271.94	-2.70	-61.84
NC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL250004587893	1	31	-1.0	-59.16	272.00	-2.67	-61.83
CC1(C)C(O)CC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587894	0	40	-1.0	-51.56	314.39	1.43	-50.13
CC1(C)C(O)CC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587894	1	40	-1.0	-51.52	314.44	1.46	-50.06
O=C(C1=CC2(C1)CCOC2)N1CCCC1C1=N[N-]N=N1	REAL250004587895	0	36	-1.0	-53.40	291.85	2.64	-50.76
O=C(C1=CC2(C1)CCOC2)N1CCCC1C1=NN=N[N-]1	REAL250004587895	1	36	-1.0	-53.45	291.90	2.67	-50.78
O=C(C1=CC=NN1CCF)N1CCCC1C1=NN=N[N-]1	REAL250004587896	0	33	-1.0	-51.22	277.68	2.40	-48.82
O=C(C1=CC=NN1CCF)N1CCCC1C1=N[N-]N=N1	REAL250004587896	1	33	-1.0	-51.21	277.62	2.38	-48.83
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=CS1	REAL250004587897	0	32	-1.0	-53.68	277.26	3.04	-50.64
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=CS1	REAL250004587897	1	32	-1.0	-53.67	277.21	3.01	-50.66
O=C(C1=CN=C2SC=CN12)N1CCCC1C1=NN=N[N-]1	REAL250004587898	0	30	-1.0	-55.52	267.05	3.12	-52.40
O=C(C1=CN=C2SC=CN12)N1CCCC1C1=N[N-]N=N1	REAL250004587898	1	30	-1.0	-55.50	267.00	3.10	-52.40
CC1=NC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587899	0	35	-1.0	-51.72	307.33	3.41	-48.31
CC1=NC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587899	1	35	-1.0	-51.73	307.39	3.44	-48.29
CCCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587900	0	36	-1.0	-56.25	300.11	3.61	-52.64
CCCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587900	1	36	-1.0	-56.26	300.05	3.58	-52.68
O=C(C1=NC(F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587901	0	29	-1.0	-51.14	267.52	3.21	-47.93
O=C(C1=NC(F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587901	1	29	-1.0	-51.11	267.46	3.18	-47.93
O=C(CN1N=CC2=NC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587902	0	35	-1.0	-56.99	302.65	2.36	-54.63
O=C(CN1N=CC2=NC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587902	1	35	-1.0	-56.99	302.59	2.33	-54.66
CCC(C)N1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587903	0	39	-1.0	-52.10	309.53	3.59	-48.51
CCC(C)N1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587903	1	39	-1.0	-52.09	309.47	3.57	-48.52
C[C@H](CC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587904	0	32	-1.0	-47.88	268.54	2.99	-44.89
C[C@H](CC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587904	1	32	-1.0	-47.87	268.59	3.01	-44.86
CCN1C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587905	0	34	-1.0	-53.83	276.47	3.97	-49.86
CCN1C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587905	1	34	-1.0	-53.82	276.52	3.99	-49.83
CC1=C(O)C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004587906	0	37	-1.0	-53.34	297.86	2.02	-51.32
CC1=C(O)C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004587906	1	37	-1.0	-53.36	297.92	2.04	-51.32
CC(=CN1C=CN=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587907	0	33	-1.0	-50.82	273.37	2.10	-48.72
CC(=CN1C=CN=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587907	1	33	-1.0	-50.85	273.42	2.12	-48.73
O=C(C(F)=CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587908	0	31	-1.0	-47.74	266.26	3.78	-43.96
O=C(C(F)=CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587908	1	31	-1.0	-47.74	266.32	3.81	-43.93
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004587909	0	34	-1.0	-49.32	283.75	4.33	-44.99
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004587909	1	34	-1.0	-49.32	283.81	4.34	-44.98
O=C(C1=CC2=C(CCCC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004587910	0	37	-1.0	-52.93	299.39	4.72	-48.21
O=C(C1=CC2=C(CCCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004587910	1	37	-1.0	-52.93	299.45	4.74	-48.19
CC1=CC=C2C(C(=O)N3CCCC3C3=NN=N[N-]3)=CNC2=C1	REAL250004587911	0	37	-1.0	-62.96	303.36	4.27	-58.69
CC1=CC=C2C(C(=O)N3CCCC3C3=N[N-]N=N3)=CNC2=C1	REAL250004587911	1	37	-1.0	-62.99	303.31	4.25	-58.74
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N(C)C=N1	REAL250004587912	0	33	-1.0	-55.63	281.56	3.54	-52.09
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N(C)C=N1	REAL250004587912	1	33	-1.0	-55.64	281.62	3.55	-52.09
COC1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587913	0	31	-1.0	-49.50	265.13	-1.72	-51.22
COC1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587913	1	31	-1.0	-49.47	265.19	-1.71	-51.18
CC1CC(=O)NC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587914	0	34	-1.0	-57.43	272.49	-0.21	-57.64
CC1CC(=O)NC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587914	1	34	-1.0	-57.40	272.54	-0.20	-57.60
CCC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL250004587915	0	41	-1.0	-54.03	308.58	4.26	-49.77
CCC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL250004587915	1	41	-1.0	-54.02	308.63	4.27	-49.75
COCC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587916	0	33	-1.0	-48.32	285.29	0.98	-47.34
COCC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587916	1	33	-1.0	-48.29	285.35	1.00	-47.29
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL250004587917	0	32	-1.0	-48.81	281.72	2.82	-45.99
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL250004587917	1	32	-1.0	-48.82	281.66	2.80	-46.02
O=C(C1CC2(C1)CCOC2)N1CCCC1C1=N[N-]N=N1	REAL250004587918	0	38	-1.0	-51.16	301.31	2.78	-48.38
O=C(C1CC2(C1)CCOC2)N1CCCC1C1=NN=N[N-]1	REAL250004587918	1	38	-1.0	-51.19	301.36	2.80	-48.39
O=C(C1=CC=C2CCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587919	0	36	-1.0	-54.52	294.04	4.56	-49.96
O=C(C1=CC=C2CCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587919	1	36	-1.0	-54.53	294.10	4.59	-49.94
CC(C)(C)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587920	0	40	-1.0	-63.02	320.94	4.09	-58.93
CC(C)(C)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587920	1	40	-1.0	-63.01	321.00	4.12	-58.89
O=C(C1=COC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587921	0	37	-1.0	-55.48	297.50	4.38	-51.10
O=C(C1=COC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587921	1	37	-1.0	-55.43	297.55	4.39	-51.04
CCC1(CC)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587922	0	42	-1.0	-52.02	319.37	5.20	-46.82
CCC1(CC)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587922	1	42	-1.0	-51.98	319.43	5.23	-46.75
CC(C)(C)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587923	0	38	-1.0	-47.03	313.03	3.77	-43.26
CC(C)(C)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587923	1	38	-1.0	-47.06	312.97	3.75	-43.31
CC1=NC2=NC=NN2C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587924	0	34	-1.0	-52.48	298.14	5.35	-47.13
CC1=NC2=NC=NN2C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587924	1	34	-1.0	-52.45	298.19	5.37	-47.08
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCC3C3=N[N-]N=N3)C[C@@H]21	REAL250004587925	0	40	-1.0	-54.33	306.88	5.14	-49.19
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCC3C3=NN=N[N-]3)C[C@@H]21	REAL250004587925	1	40	-1.0	-54.31	306.94	5.15	-49.16
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587926	0	36	-1.0	-56.90	301.58	4.15	-52.75
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587926	1	36	-1.0	-56.90	301.63	4.17	-52.73
COC1=CC=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587927	0	33	-1.0	-56.52	275.06	1.96	-54.56
COC1=CC=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587927	1	33	-1.0	-56.49	275.12	1.98	-54.51
CC(=O)OCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587928	0	35	-1.0	-54.67	297.82	3.41	-51.26
CC(=O)OCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587928	1	35	-1.0	-54.68	297.88	3.44	-51.24
CC(=O)NC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587929	0	42	-1.0	-58.55	327.41	3.31	-55.24
CC(=O)NC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587929	1	42	-1.0	-58.53	327.47	3.33	-55.20
CC1=C(C)OC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587930	0	38	-1.0	-54.18	318.67	1.59	-52.59
CC1=C(C)OC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587930	1	38	-1.0	-54.17	318.73	1.62	-52.55
O=C(C1=CC=CC2=C1CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL250004587931	0	35	-1.0	-52.16	293.15	0.99	-51.17
O=C(C1=CC=CC2=C1CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL250004587931	1	35	-1.0	-52.18	293.21	1.01	-51.17
O=C(C1=CN(C2COC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587932	0	34	-1.0	-50.05	288.76	-0.38	-50.43
O=C(C1=CN(C2COC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587932	1	34	-1.0	-50.06	288.71	-0.41	-50.47
O=C(C1=NN(CCF)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587933	0	33	-1.0	-55.72	285.20	2.99	-52.73
O=C(C1=NN(CCF)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587933	1	33	-1.0	-55.77	285.14	2.96	-52.81
O=C(CCC1=CC=C(F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587934	0	35	-1.0	-52.40	301.98	3.66	-48.74
O=C(CCC1=CC=C(F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587934	1	35	-1.0	-52.39	301.92	3.64	-48.75
CC1=NC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004587935	0	32	-1.0	-54.59	285.95	2.64	-51.95
CC1=NC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004587935	1	32	-1.0	-54.60	286.01	2.67	-51.93
O=C(C1=CN=C2CCCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587936	0	38	-1.0	-52.36	306.53	3.27	-49.09
O=C(C1=CN=C2CCCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587936	1	38	-1.0	-52.36	306.59	3.29	-49.07
CC1=C(C)NC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587937	0	37	-1.0	-53.83	312.25	3.19	-50.64
CC1=C(C)NC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587937	1	37	-1.0	-53.83	312.31	3.22	-50.61
CS(C)(=O)=NC(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587938	0	32	-1.0	-66.20	283.56	-1.66	-67.86
CS(C)(=O)=NC(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587938	1	32	-1.0	-66.17	283.61	-1.64	-67.81
O=C(C#CC1CCC(=O)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587939	0	37	-1.0	-56.94	313.50	4.71	-52.23
O=C(C#CC1CCC(=O)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587939	1	37	-1.0	-56.95	313.56	4.73	-52.22
CC(C(F)C(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004587940	0	32	-1.0	-47.34	280.26	3.21	-44.13
CC(C(F)C(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004587940	1	32	-1.0	-47.39	280.32	3.24	-44.15
CC1=CNC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587941	0	36	-1.0	-51.40	301.93	2.74	-48.66
CC1=CNC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587941	1	36	-1.0	-51.42	301.99	2.77	-48.65
CCCC(CC)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587943	0	41	-1.0	-52.17	315.10	5.08	-47.09
CCCC(CC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587943	1	41	-1.0	-52.18	315.15	5.10	-47.08
O=C(C1=COC2=C1CSC2)N1CCCC1C1=N[N-]N=N1	REAL250004587944	0	32	-1.0	-54.35	281.20	3.32	-51.03
O=C(C1=COC2=C1CSC2)N1CCCC1C1=NN=N[N-]1	REAL250004587944	1	32	-1.0	-54.33	281.25	3.34	-50.99
CC1=CC=C2OC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL250004587945	0	36	-1.0	-57.22	303.08	4.75	-52.47
CC1=CC=C2OC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL250004587945	1	36	-1.0	-57.21	303.02	4.74	-52.47
CC1=CC=C2C(C(=O)N3CCCC3C3=NN=N[N-]3)=COC2=C1	REAL250004587946	0	36	-1.0	-57.41	300.09	4.74	-52.67
CC1=CC=C2C(C(=O)N3CCCC3C3=N[N-]N=N3)=COC2=C1	REAL250004587946	1	36	-1.0	-57.40	300.03	4.72	-52.68
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587947	0	38	-1.0	-60.04	310.14	-1.06	-61.10
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587947	1	38	-1.0	-60.03	310.20	-1.04	-61.07
O=C(C1C(F)(F)C12CC2)N1CCCC1C1=N[N-]N=N1	REAL250004587948	0	31	-1.0	-49.46	275.18	4.05	-45.41
O=C(C1C(F)(F)C12CC2)N1CCCC1C1=NN=N[N-]1	REAL250004587948	1	31	-1.0	-49.46	275.23	4.07	-45.39
O=C(C(F)C1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587949	0	33	-1.0	-50.75	288.29	4.71	-46.04
O=C(C(F)C1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587949	1	33	-1.0	-50.75	288.35	4.73	-46.02
C=CCOC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587950	0	35	-1.0	-49.05	303.52	0.25	-48.80
C=CCOC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587950	1	35	-1.0	-49.05	303.58	0.28	-48.77
COCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC=C1	REAL250004587951	0	34	-1.0	-52.20	288.12	1.85	-50.35
COCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC=C1	REAL250004587951	1	34	-1.0	-52.25	288.18	1.88	-50.37
O=C(C1=CN(CCCF)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587952	0	35	-1.0	-52.78	302.31	2.29	-50.49
O=C(C1=CN(CCCF)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587952	1	35	-1.0	-52.82	302.25	2.26	-50.56
O=C(C1CC2C=CCC(C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587953	0	41	-1.0	-52.55	308.27	5.40	-47.15
O=C(C1CC2C=CCC(C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587953	1	41	-1.0	-52.56	308.33	5.42	-47.14
COC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587954	0	33	-1.0	-52.80	275.31	0.98	-51.82
COC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587954	1	33	-1.0	-52.76	275.26	0.96	-51.80
O=C(C[C@H]1COC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004587955	0	32	-1.0	-59.12	270.41	-0.90	-60.02
O=C(C[C@H]1COC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004587955	1	32	-1.0	-59.20	270.46	-0.88	-60.08
O=C(CC1=CC=NC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004587956	0	32	-1.0	-50.43	288.60	3.32	-47.11
O=C(CC1=CC=NC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004587956	1	32	-1.0	-50.46	288.66	3.34	-47.12
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCC1C1=NN=N[N-]1	REAL250004587957	0	35	-1.0	-52.77	295.09	1.23	-51.54
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCC1C1=N[N-]N=N1	REAL250004587957	1	35	-1.0	-52.76	295.03	1.22	-51.54
O=C(COC1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004587958	0	38	-1.0	-54.88	306.77	2.31	-52.57
O=C(COC1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004587958	1	38	-1.0	-54.88	306.83	2.34	-52.54
CC(C)(C)C1(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587959	0	45	-1.0	-53.53	323.92	5.07	-48.46
CC(C)(C)C1(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587959	1	45	-1.0	-53.57	324.02	5.09	-48.48
CC(C)NC(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587960	0	33	-1.0	-45.91	275.79	0.16	-45.75
CC(C)NC(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587960	1	33	-1.0	-45.92	275.85	0.19	-45.73
CC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004587961	0	39	-1.0	-54.40	322.93	3.63	-50.77
CC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004587961	1	39	-1.0	-54.37	322.99	3.65	-50.72
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL250004587962	0	30	-1.0	-51.74	263.78	1.94	-49.80
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL250004587962	1	30	-1.0	-51.72	263.72	1.91	-49.81
CC1(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)C1(F)F	REAL250004587963	0	33	-1.0	-53.35	275.42	3.72	-49.63
CC1(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)C1(F)F	REAL250004587963	1	33	-1.0	-53.35	275.47	3.75	-49.60
O=C(C(F)CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587964	0	33	-1.0	-52.64	277.00	3.98	-48.66
O=C(C(F)CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587964	1	33	-1.0	-52.63	277.05	4.01	-48.62
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL250004587965	0	35	-1.0	-46.52	287.42	0.54	-45.98
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL250004587965	1	35	-1.0	-46.49	287.47	0.55	-45.94
O=C(C1=NC=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587966	0	28	-1.0	-53.75	260.95	2.44	-51.31
O=C(C1=NC=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587966	1	28	-1.0	-53.76	260.89	2.42	-51.34
CC(C(=O)N1CCCC1C1=N[N-]N=N1)S(N)(=O)=O	REAL250004587967	0	31	-1.0	-64.29	269.61	-3.33	-67.62
CC(C(=O)N1CCCC1C1=NN=N[N-]1)S(N)(=O)=O	REAL250004587967	1	31	-1.0	-64.38	269.66	-3.30	-67.68
CC1=CNC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587968	0	34	-1.0	-53.86	292.54	2.68	-51.18
CC1=CNC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587968	1	34	-1.0	-53.86	292.59	2.70	-51.16
O=C(C(O)C1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587969	0	43	-1.0	-51.72	315.69	3.01	-48.71
O=C(C(O)C1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587969	1	43	-1.0	-51.74	315.75	3.04	-48.70
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL250004587970	0	39	-1.0	-51.80	307.00	5.17	-46.63
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004587970	1	39	-1.0	-51.79	307.06	5.19	-46.60
O=C(C1=CC=C2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587971	0	38	-1.0	-42.15	304.92	3.33	-38.82
O=C(C1=CC=C2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587971	1	38	-1.0	-42.12	304.99	3.34	-38.78
O=C(C1=CC2(C1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL250004587972	0	39	-1.0	-53.65	309.15	3.38	-50.27
O=C(C1=CC2(C1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL250004587972	1	39	-1.0	-53.61	309.21	3.40	-50.21
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004587973	0	36	-1.0	-52.22	297.25	2.91	-49.31
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004587973	1	36	-1.0	-52.22	297.19	2.89	-49.33
O=C(C1CC2(CC(=O)N2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004587974	0	35	-1.0	-58.05	291.53	-0.01	-58.06
O=C(C1CC2(CC(=O)N2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587974	1	35	-1.0	-58.07	291.59	0.02	-58.05
O=C(C1CCC2=NN=NN2C1)N1CCCC1C1=N[N-]N=N1	REAL250004587975	0	35	-1.0	-49.36	288.95	1.61	-47.75
O=C(C1CCC2=NN=NN2C1)N1CCCC1C1=NN=N[N-]1	REAL250004587975	1	35	-1.0	-49.39	289.01	1.63	-47.76
O=C(CCOC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587976	0	34	-1.0	-49.93	285.12	2.50	-47.43
O=C(CCOC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587976	1	34	-1.0	-49.94	285.18	2.53	-47.41
COCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587977	0	34	-1.0	-53.24	283.12	-0.01	-53.25
COCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587977	1	34	-1.0	-53.20	283.06	-0.03	-53.23
CC1=C(C)NC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587978	0	39	-1.0	-51.52	321.68	3.27	-48.25
CC1=C(C)NC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587978	1	39	-1.0	-51.50	321.74	3.30	-48.20
O=C(CN1N=NN=C1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587979	0	35	-1.0	-63.14	301.88	2.56	-60.58
O=C(CN1N=NN=C1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587979	1	35	-1.0	-63.16	301.93	2.58	-60.58
NC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CCO	REAL250004587980	0	36	-1.0	-52.31	297.66	-2.13	-54.44
NC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CCO	REAL250004587980	1	36	-1.0	-52.30	297.61	-2.14	-54.44
CCN1C=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004587981	0	33	-1.0	-57.07	293.75	3.38	-53.69
CCN1C=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004587981	1	33	-1.0	-57.02	293.69	3.35	-53.67
CC1(C)OC[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004587982	0	35	-1.0	-54.47	284.88	1.92	-52.55
CC1(C)OC[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587982	1	35	-1.0	-54.42	284.93	1.95	-52.47
O=C(C=CC1=CC=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587983	0	32	-1.0	-51.85	280.66	3.43	-48.42
O=C(C=CC1=CC=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587983	1	32	-1.0	-51.79	280.72	3.46	-48.33
CC(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL250004587984	0	35	-1.0	-50.77	294.82	1.42	-49.35
CC(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL250004587984	1	35	-1.0	-50.77	294.88	1.45	-49.32
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCOCC1	REAL250004587985	0	43	-1.0	-52.42	317.41	3.22	-49.20
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCOCC1	REAL250004587985	1	43	-1.0	-52.37	317.47	3.25	-49.12
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587986	0	32	-1.0	-52.74	276.72	-0.19	-52.93
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587986	1	32	-1.0	-52.78	276.78	-0.17	-52.95
O=C(CCC1CCC(=O)NC1)N1CCCC1C1=N[N-]N=N1	REAL250004587987	0	40	-1.0	-55.45	318.78	1.64	-53.81
O=C(CCC1CCC(=O)NC1)N1CCCC1C1=NN=N[N-]1	REAL250004587987	1	40	-1.0	-55.50	318.84	1.67	-53.83
O=C(C(F)CC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004587988	0	39	-1.0	-49.65	310.08	5.03	-44.62
O=C(C(F)CC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004587988	1	39	-1.0	-49.65	310.14	5.06	-44.59
O=C(C1CC2(C1)CCCO2)N1CCCC1C1=N[N-]N=N1	REAL250004587989	0	38	-1.0	-55.39	301.29	2.97	-52.42
O=C(C1CC2(C1)CCCO2)N1CCCC1C1=NN=N[N-]1	REAL250004587989	1	38	-1.0	-55.35	301.34	2.99	-52.36
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587990	0	35	-1.0	-46.86	287.35	0.53	-46.33
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587990	1	35	-1.0	-46.83	287.41	0.54	-46.29
NC(=O)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004587991	0	30	-1.0	-49.26	269.26	-2.03	-51.29
NC(=O)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004587991	1	30	-1.0	-49.25	269.21	-2.06	-51.31
COC1C[C@@H]2CC(C(=O)N3CCCC3C3=N[N-]N=N3)C[C@H]12	REAL250004587992	0	41	-1.0	-52.40	315.32	3.44	-48.96
COC1C[C@@H]2CC(C(=O)N3CCCC3C3=NN=N[N-]3)C[C@H]12	REAL250004587992	1	41	-1.0	-52.39	315.38	3.47	-48.92
CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2O1	REAL250004587993	0	36	-1.0	-44.83	292.28	4.22	-40.61
CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2O1	REAL250004587993	1	36	-1.0	-44.84	292.22	4.24	-40.60
O=C([C@H]1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004587994	0	37	-1.0	-58.31	301.05	5.59	-52.72
O=C([C@H]1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004587994	1	37	-1.0	-58.27	301.11	5.61	-52.66
O=C(C1=C2C=CN=C2NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587995	0	33	-1.0	-67.12	285.27	3.24	-63.88
O=C(C1=C2C=CNC2=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587995	1	33	-1.0	-46.49	269.68	2.38	-44.11
O=C(C1=C2C=CN=C2NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587995	1	33	-1.0	-67.15	285.21	3.22	-63.93
O=C(C1=C2C=CNC2=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587995	1	33	-1.0	-46.53	269.63	2.38	-44.15
O=C(C1CCC2(CCC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004587996	0	43	-1.0	-52.26	324.98	5.77	-46.49
O=C(C1CCC2(CCC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587996	1	43	-1.0	-52.22	325.04	5.79	-46.43
O=C(C1=C2C=CSC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587997	0	33	-1.0	-53.65	287.17	4.96	-48.69
O=C(C1=C2C=CSC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587997	1	33	-1.0	-53.68	287.12	4.95	-48.73
O=C(C1=CC=C2C=CSC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587998	0	33	-1.0	-52.90	287.74	4.92	-47.98
O=C(C1=CC=C2C=CSC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587998	1	33	-1.0	-52.90	287.68	4.90	-48.00
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=N1	REAL250004587999	0	36	-1.0	-53.66	299.48	0.87	-52.79
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=N1	REAL250004587999	1	36	-1.0	-53.61	299.54	0.89	-52.72
COCCC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588000	0	42	-1.0	-50.27	320.40	3.12	-47.15
COCCC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588000	1	42	-1.0	-50.26	320.46	3.14	-47.12
O=C(C1=COC(C(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588001	0	29	-1.0	-51.28	265.66	0.32	-50.96
O=C(C1=COC(C(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588001	1	29	-1.0	-51.31	265.72	0.34	-50.97
CCSC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588002	0	33	-1.0	-53.89	281.00	3.51	-50.38
CCSC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588002	1	33	-1.0	-53.88	281.06	3.54	-50.34
O=C(CC1COCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004588003	0	35	-1.0	-57.19	284.23	1.62	-55.57
O=C(CC1COCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004588003	1	35	-1.0	-57.21	284.29	1.65	-55.56
CCC1(C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588004	0	39	-1.0	-53.24	302.95	4.66	-48.58
CCC1(C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588004	1	39	-1.0	-53.26	303.01	4.68	-48.58
CC(C)(CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)(F)F	REAL250004588005	0	38	-1.0	-47.55	296.20	4.14	-43.41
CC(C)(CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)(F)F	REAL250004588005	1	38	-1.0	-47.54	296.26	4.16	-43.38
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(F)F	REAL250004588006	0	32	-1.0	-50.25	268.79	3.26	-46.99
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(F)F	REAL250004588006	1	32	-1.0	-50.23	268.85	3.29	-46.94
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C=N1	REAL250004588007	0	35	-1.0	-49.44	287.81	3.15	-46.29
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C=N1	REAL250004588007	1	35	-1.0	-49.44	287.87	3.17	-46.27
O=C(C1CCCC2=CC=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004588008	0	37	-1.0	-65.10	300.19	3.30	-61.80
O=C(C1CCCC2=CC=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004588008	1	37	-1.0	-65.09	300.26	3.32	-61.77
O=C(C1=CN=C2CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588009	0	36	-1.0	-45.29	284.81	3.01	-42.28
O=C(C1=CN=C2CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588009	1	36	-1.0	-45.31	284.88	3.03	-42.28
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588010	0	38	-1.0	-47.68	313.56	3.91	-43.77
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588010	1	38	-1.0	-47.71	313.61	3.93	-43.78
CC1(C)CCOC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588011	0	40	-1.0	-58.09	309.43	3.60	-54.49
CC1(C)CCOC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588011	1	40	-1.0	-58.12	309.48	3.62	-54.50
CC1=NN=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)N1C	REAL250004588012	0	38	-1.0	-59.62	316.03	4.31	-55.31
CC1=NN=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)N1C	REAL250004588012	1	38	-1.0	-59.62	316.08	4.34	-55.28
CCC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL250004588013	0	37	-1.0	-48.12	303.24	2.71	-45.41
CCC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL250004588013	1	37	-1.0	-48.11	303.29	2.73	-45.38
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCC1C1=N[N-]N=N1	REAL250004588014	0	41	-1.0	-55.02	308.64	3.26	-51.76
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCC1C1=NN=N[N-]1	REAL250004588014	1	41	-1.0	-55.04	308.70	3.28	-51.76
O=C(C1=CC=NC2=NC=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004588015	0	33	-1.0	-48.93	274.68	1.03	-47.90
O=C(C1=CC=NC2=NC=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004588015	1	33	-1.0	-48.93	274.62	1.03	-47.90
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004588016	0	37	-1.0	-56.38	297.44	4.77	-51.61
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004588016	1	37	-1.0	-56.37	297.50	4.79	-51.58
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC(C)=N1	REAL250004588017	0	34	-1.0	-50.35	287.09	3.07	-47.28
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC(C)=N1	REAL250004588017	1	34	-1.0	-50.38	287.15	3.09	-47.29
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NS1	REAL250004588018	0	29	-1.0	-48.86	255.42	1.95	-46.91
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NS1	REAL250004588018	1	29	-1.0	-48.86	255.47	1.96	-46.90
O=C(C=CC1=CN=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588019	0	32	-1.0	-53.34	280.45	1.78	-51.56
O=C(C=CC1=CN=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588019	1	32	-1.0	-53.32	280.51	1.78	-51.54
CCCC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004588020	0	35	-1.0	-53.01	303.58	3.67	-49.34
CCCC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004588020	1	35	-1.0	-52.96	303.64	3.70	-49.26
CC1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL250004588021	0	33	-1.0	-51.90	298.93	2.65	-49.25
CC1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL250004588021	1	33	-1.0	-51.91	298.99	2.66	-49.25
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004588022	0	40	-1.0	-53.12	319.16	4.29	-48.83
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004588022	1	40	-1.0	-53.14	319.21	4.31	-48.83
O=C(C1=CN=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588023	0	29	-1.0	-46.52	258.41	1.72	-44.80
O=C(C1=CN=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588023	1	29	-1.0	-46.54	258.36	1.69	-44.85
COC(=O)C(OC)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588024	0	33	-1.0	-57.72	278.78	2.16	-55.56
COC(=O)C(OC)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588024	1	33	-1.0	-57.76	278.83	2.19	-55.57
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588025	0	36	-1.0	-59.46	300.56	4.02	-55.44
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588025	1	36	-1.0	-59.43	300.61	4.04	-55.39
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL250004588026	0	39	-1.0	-54.32	316.86	3.56	-50.76
CC(C)(C)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL250004588026	1	39	-1.0	-54.35	316.92	3.58	-50.77
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588027	0	37	-1.0	-57.93	301.99	5.64	-52.29
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588027	1	37	-1.0	-57.94	302.04	5.66	-52.28
CCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004588028	0	36	-1.0	-62.33	306.61	3.65	-58.68
CCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004588028	1	36	-1.0	-62.34	306.67	3.67	-58.67
O=C(C1=CC=C2CCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588029	0	35	-1.0	-57.36	286.62	3.38	-53.98
O=C(C1=CC=C2CCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588029	1	35	-1.0	-57.38	286.68	3.40	-53.98
COC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL250004588030	0	33	-1.0	-61.96	282.71	2.16	-59.80
COC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL250004588030	1	33	-1.0	-61.93	282.65	2.14	-59.79
N#CCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004588031	0	31	-1.0	-62.74	278.03	2.58	-60.16
N#CCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004588031	1	31	-1.0	-62.73	277.97	2.56	-60.17
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCC1C1=N[N-]N=N1	REAL250004588032	0	38	-1.0	-56.86	300.66	3.03	-53.83
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCC1C1=NN=N[N-]1	REAL250004588032	1	38	-1.0	-56.86	300.72	3.05	-53.81
O=C(CN1N=NC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588033	0	35	-1.0	-59.95	303.00	2.19	-57.76
O=C(CN1N=NC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588033	1	35	-1.0	-59.96	303.05	2.21	-57.75
CCN1C=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004588034	0	32	-1.0	-61.00	273.53	3.72	-57.28
CCN1C=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004588034	1	32	-1.0	-61.02	273.47	3.69	-57.33
N#CCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588035	0	31	-1.0	-51.16	270.45	2.00	-49.16
N#CCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588035	1	31	-1.0	-51.18	270.39	1.99	-49.19
CC(C)CC(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588036	0	35	-1.0	-49.69	284.66	3.70	-45.99
CC(C)CC(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588036	1	35	-1.0	-49.72	284.72	3.72	-46.00
C=C(Cl)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588037	0	30	-1.0	-48.99	270.56	3.54	-45.45
C=C(Cl)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588037	1	30	-1.0	-48.95	270.62	3.57	-45.38
CC(CC1CCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588038	0	39	-1.0	-52.29	303.77	4.88	-47.41
CC(CC1CCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588038	1	39	-1.0	-52.28	303.83	4.90	-47.38
O=C(CCCC1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004588039	0	39	-1.0	-52.26	310.54	5.30	-46.96
O=C(CCCC1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004588039	1	39	-1.0	-52.25	310.59	5.33	-46.92
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004588040	0	35	-1.0	-51.06	282.69	2.54	-48.52
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004588040	1	35	-1.0	-51.03	282.63	2.53	-48.50
NC1=CC=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588041	0	32	-1.0	-48.84	280.31	2.27	-46.57
NC1=CC=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588041	1	32	-1.0	-48.86	280.36	2.29	-46.57
NC1=C(Cl)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588042	0	32	-1.0	-49.87	278.33	2.23	-47.64
NC1=C(Cl)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588042	1	32	-1.0	-49.87	278.39	2.24	-47.63
NC1=CC(F)=C(F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588043	0	32	-1.0	-47.19	276.60	1.78	-45.41
NC1=CC(F)=C(F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588043	1	32	-1.0	-47.21	276.66	1.80	-45.41
NC1=C(F)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588044	0	32	-1.0	-50.38	269.41	1.75	-48.63
NC1=C(F)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588044	1	32	-1.0	-50.42	269.46	1.76	-48.66
CC1=CC=C(F)C(N)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588045	0	35	-1.0	-49.64	297.10	2.34	-47.30
CC1=CC=C(F)C(N)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588045	1	35	-1.0	-49.65	297.16	2.37	-47.28
CC1=CC(F)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004588046	0	35	-1.0	-50.05	288.08	2.50	-47.55
CC1=CC(F)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004588046	1	35	-1.0	-50.08	288.13	2.52	-47.56
CC1=C(F)C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004588047	0	35	-1.0	-48.57	286.93	2.46	-46.11
CC1=C(F)C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004588047	1	35	-1.0	-48.60	286.99	2.48	-46.12
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(N)C=C1F	REAL250004588048	0	35	-1.0	-48.36	290.57	2.36	-46.00
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(N)C=C1F	REAL250004588048	1	35	-1.0	-48.37	290.63	2.37	-46.00
CC1=C(F)C=CC(N)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588049	0	35	-1.0	-53.12	296.95	2.28	-50.84
CC1=C(F)C=CC(N)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588049	1	35	-1.0	-53.11	297.00	2.30	-50.81
O=C(CC1=CC=C(O)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588050	0	33	-1.0	-57.68	283.73	0.20	-57.48
O=C(CC1=CC=C(O)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588050	1	33	-1.0	-57.71	283.79	0.23	-57.48
C=CN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588051	0	31	-1.0	-52.37	262.55	2.46	-49.91
C=CN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588051	1	31	-1.0	-52.40	262.49	2.45	-49.95
O=C(NC1=NC=CN1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588053	0	31	-1.0	-47.00	267.98	1.67	-45.33
O=C(NC1=NC=CN1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588053	1	31	-1.0	-46.99	267.92	1.65	-45.34
O=C(N1CCCC1C1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL250004588054	1	40	-1.0	-52.65	309.62	3.83	-48.82
O=C(N1CCCC1C1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL250004588054	1	40	-1.0	-52.63	309.68	3.84	-48.79
O=C(C(F)=CC1=CNC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588055	0	31	-1.0	-55.71	272.12	3.08	-52.63
O=C(C(F)=CC1=CNC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588055	1	31	-1.0	-55.70	272.18	3.10	-52.60
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004588056	0	32	-1.0	-62.40	271.60	2.36	-60.04
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004588056	1	32	-1.0	-62.41	271.66	2.38	-60.03
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004588057	0	34	-1.0	-54.61	280.27	3.23	-51.38
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004588057	1	34	-1.0	-54.65	280.32	3.23	-51.42
O=C(C=CCOC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588058	0	38	-1.0	-55.05	321.46	4.85	-50.20
O=C(C=CCOC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588058	1	38	-1.0	-55.06	321.52	4.87	-50.19
O=C(CC1CC(=O)NC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588059	0	36	-1.0	-59.39	298.22	0.24	-59.15
O=C(CC1CC(=O)NC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588059	1	36	-1.0	-59.41	298.28	0.26	-59.15
CN1NC(=O)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588060	0	31	-1.0	-47.96	260.70	-0.53	-48.49
CN1NC(=O)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588060	1	31	-1.0	-48.00	260.76	-0.52	-48.52
O=C(C1=CC=NC2=NNC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588061	0	32	-1.0	-43.82	265.34	1.12	-42.70
O=C(C1=CC=NC2=NNC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588061	1	32	-1.0	-43.81	265.28	1.13	-42.68
O=C(CC1=CC=CC(F)=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004588062	0	34	-1.0	-60.50	295.30	1.95	-58.55
O=C(CC1=CC=CC(F)=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004588062	1	34	-1.0	-60.48	295.36	1.97	-58.51
CN1C(=S)NN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588063	0	30	-1.0	-44.77	269.02	2.87	-41.90
CN1C(=S)NN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588063	1	30	-1.0	-44.77	269.07	2.88	-41.89
O=C(C1=CC2=CNN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL250004588064	0	30	-1.0	-55.32	268.72	1.37	-53.95
O=C(C1=CC2=CNN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL250004588064	1	30	-1.0	-55.35	268.78	1.39	-53.96
CCC1(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588065	0	37	-1.0	-53.89	294.92	4.61	-49.28
CCC1(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588065	1	37	-1.0	-53.88	294.97	4.64	-49.24
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC1C1=N[N-]N=N1	REAL250004588066	0	37	-1.0	-56.55	293.87	0.93	-55.62
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC1C1=NN=N[N-]1	REAL250004588066	1	37	-1.0	-56.58	293.92	0.96	-55.62
O=C(C[C@@H]1COC[C@H]1O)N1CCCC1C1=N[N-]N=N1	REAL250004588067	0	35	-1.0	-58.43	284.60	-1.60	-60.03
O=C(C[C@@H]1COC[C@H]1O)N1CCCC1C1=NN=N[N-]1	REAL250004588067	1	35	-1.0	-58.42	284.66	-1.58	-60.00
CC1=NC=C2C=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN21	REAL250004588068	1	36	-1.0	-41.24	293.10	4.31	-36.93
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588069	0	36	-1.0	-57.28	299.23	2.76	-54.52
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588069	1	36	-1.0	-57.30	299.29	2.78	-54.52
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588070	0	33	-1.0	-50.23	296.62	3.61	-46.62
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588070	1	33	-1.0	-50.22	296.68	3.64	-46.58
O=C(CC1CCC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588071	0	35	-1.0	-56.83	285.79	3.42	-53.41
O=C(CC1CCC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588071	1	35	-1.0	-56.82	285.85	3.44	-53.38
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004588072	0	36	-1.0	-57.12	293.36	4.39	-52.73
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004588072	1	36	-1.0	-57.12	293.41	4.41	-52.71
CCC(F)(F)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588073	0	32	-1.0	-58.68	271.06	3.36	-55.32
CCC(F)(F)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588073	1	32	-1.0	-58.70	271.12	3.39	-55.31
O=C(C1CCC2(C1)N=N2)N1CCCC1C1=N[N-]N=N1	REAL250004588074	0	33	-1.0	-56.88	272.81	-1.88	-58.76
O=C(C1CCC2(C1)N=N2)N1CCCC1C1=NN=N[N-]1	REAL250004588074	1	33	-1.0	-56.83	272.86	-1.86	-58.69
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588075	0	36	-1.0	-53.87	295.85	5.55	-48.32
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588075	1	36	-1.0	-53.80	295.79	5.52	-48.28
CCN1CCOCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588076	0	42	-1.0	-53.72	320.68	0.70	-53.02
CCN1CCOCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588076	1	42	-1.0	-53.74	320.74	0.72	-53.02
O=C(C1=CN=C2OC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588077	0	32	-1.0	-47.89	267.56	0.24	-47.65
O=C(C1=CN=C2OC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588077	1	32	-1.0	-47.87	267.50	0.25	-47.62
C=CCC(C)(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588078	0	39	-1.0	-50.50	301.61	4.68	-45.82
C=CCC(C)(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588078	1	39	-1.0	-50.48	301.67	4.70	-45.78
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)OC	REAL250004588079	0	36	-1.0	-54.05	287.22	3.21	-50.84
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)OC	REAL250004588079	1	36	-1.0	-54.02	287.28	3.23	-50.79
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588080	0	43	-1.0	-54.48	335.94	4.05	-50.43
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588080	1	43	-1.0	-54.47	336.00	4.08	-50.39
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCC1	REAL250004588081	0	42	-1.0	-52.20	319.00	5.54	-46.66
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCC1	REAL250004588081	1	42	-1.0	-52.18	319.06	5.57	-46.61
CC1=NC=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588082	0	36	-1.0	-54.36	300.93	3.89	-50.47
CC1=NC=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588082	1	36	-1.0	-54.34	300.99	3.92	-50.42
CC1=CN=CC=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588083	0	36	-1.0	-53.11	301.08	3.92	-49.19
CC1=CN=CC=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588083	1	36	-1.0	-53.12	301.14	3.93	-49.19
COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL250004588084	0	36	-1.0	-52.60	292.33	1.08	-51.52
COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL250004588084	1	36	-1.0	-52.63	292.27	1.07	-51.56
CC(=CC1=CC=CS1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588085	0	34	-1.0	-53.49	283.58	4.17	-49.32
CC(=CC1=CC=CS1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588085	1	34	-1.0	-53.50	283.64	4.19	-49.31
O=C(C1CC2CCC(C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588086	0	40	-1.0	-57.61	260.76	4.87	-52.74
O=C(C1CC2CCC(C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588086	1	40	-1.0	-57.61	260.80	4.87	-52.74
CC1(C)C(=O)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588087	0	35	-1.0	-49.55	280.93	3.00	-46.55
CC1(C)C(=O)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588087	1	35	-1.0	-49.54	280.99	3.03	-46.51
CCCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC=N1	REAL250004588088	0	35	-1.0	-51.96	291.64	0.86	-51.10
CCCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC=N1	REAL250004588088	1	35	-1.0	-51.94	291.70	0.89	-51.05
CC1=CC=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004588089	0	35	-1.0	-53.61	286.34	3.97	-49.64
CC1=CC=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004588089	1	35	-1.0	-53.66	286.40	3.99	-49.67
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588090	0	36	-1.0	-54.61	296.35	2.28	-52.33
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588090	1	36	-1.0	-54.58	296.29	2.25	-52.33
CCCC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004588091	0	42	-1.0	-53.08	343.63	6.89	-46.19
CCCC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004588091	1	42	-1.0	-53.11	343.69	6.91	-46.20
O=C(C1=CNC(Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588092	0	27	-1.0	-50.86	251.54	1.69	-49.17
O=C(C1=CNC(Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588092	1	27	-1.0	-50.86	251.60	1.72	-49.14
C=CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCOCC1	REAL250004588093	0	41	-1.0	-49.93	307.34	3.09	-46.84
C=CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCOCC1	REAL250004588093	1	41	-1.0	-49.96	307.40	3.12	-46.84
O=C(C1=C2C=CNC2=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588094	0	33	-1.0	-51.17	269.09	1.20	-49.97
O=C(C1=C2C=CNC2=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588094	1	33	-1.0	-51.19	269.02	1.21	-49.98
CN1N=NC=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588095	0	32	-1.0	-48.80	280.75	0.88	-47.92
CN1N=NC=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588095	1	32	-1.0	-48.76	280.69	0.85	-47.91
O=CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004588096	0	33	-1.0	-57.48	288.01	1.98	-55.50
O=CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004588096	1	33	-1.0	-57.45	288.07	2.01	-55.44
O=C(C1=CC=CN2C=NN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004588097	0	32	-1.0	-64.59	281.44	5.26	-59.33
O=C(C1=CC=CN2C=NN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004588097	1	32	-1.0	-64.58	281.38	5.24	-59.34
CCCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004588098	0	37	-1.0	-54.35	301.76	4.01	-50.34
CCCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004588098	1	37	-1.0	-54.36	301.82	4.02	-50.34
N#CC1CCCC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588099	0	40	-1.0	-51.86	319.26	5.22	-46.64
N#CC1CCCC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588099	1	40	-1.0	-51.87	319.32	5.25	-46.62
O=C(CCC1=NC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588100	0	34	-1.0	-51.93	297.03	2.74	-49.19
O=C(CCC1=NC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588100	1	34	-1.0	-51.93	297.09	2.76	-49.17
O=C(C1=CN=CC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL250004588101	0	39	-1.0	-52.88	306.32	4.14	-48.74
O=C(C1=CN=CC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL250004588101	1	39	-1.0	-52.87	306.38	4.16	-48.71
CC1=CC=CN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C12	REAL250004588102	0	36	-1.0	-56.55	293.09	4.05	-52.50
CC1=CC=CN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C12	REAL250004588102	1	36	-1.0	-56.56	293.03	4.04	-52.52
O=C(C1=CC=CC2=CN=NN21)N1CCCC1C1=NN=N[N-]1	REAL250004588103	0	32	-1.0	-61.28	280.42	2.26	-59.02
O=C(C1=CC=CC2=CN=NN21)N1CCCC1C1=N[N-]N=N1	REAL250004588103	1	32	-1.0	-61.25	280.36	2.24	-59.01
CC1=C2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CN2N=C1	REAL250004588104	0	35	-1.0	-50.73	297.87	4.12	-46.61
CC1=C2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CN2N=C1	REAL250004588104	1	35	-1.0	-50.75	297.81	4.09	-46.66
COC(=O)C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588105	0	32	-1.0	-59.24	273.17	2.26	-56.98
COC(=O)C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588105	1	32	-1.0	-59.26	273.22	2.28	-56.98
O=C(C1=CC=C(C(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588106	0	32	-1.0	-52.77	280.87	3.60	-49.17
O=C(C1=CC=C(C(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588106	1	32	-1.0	-52.74	280.81	3.57	-49.17
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCCC1C1=N[N-]N=N1	REAL250004588107	0	35	-1.0	-56.11	289.85	3.22	-52.89
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCCC1C1=NN=N[N-]1	REAL250004588107	1	35	-1.0	-56.13	289.91	3.25	-52.88
CC1=CC=CN=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588108	0	36	-1.0	-54.03	303.25	4.16	-49.87
CC1=CC=CN=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588108	1	36	-1.0	-54.03	303.30	4.17	-49.86
CCC1=CSC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588109	0	33	-1.0	-52.04	281.32	4.03	-48.01
CCC1=CSC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588109	1	33	-1.0	-52.06	281.37	4.04	-48.02
CC(C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588110	0	39	-1.0	-52.87	306.65	4.84	-48.03
CC(C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588110	1	39	-1.0	-52.85	306.71	4.87	-47.98
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NNC1=O	REAL250004588111	0	32	-1.0	-47.69	273.67	0.35	-47.34
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NNC1=O	REAL250004588111	1	32	-1.0	-47.76	273.72	0.38	-47.38
O=C(C1=C2C=CC=CN2N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588112	0	32	-1.0	-58.21	275.28	2.58	-55.63
O=C(C1=C2C=CC=CN2N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588112	1	32	-1.0	-58.20	275.22	2.55	-55.65
CC1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1C	REAL250004588113	0	45	-1.0	-52.17	330.08	5.79	-46.38
CC1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1C	REAL250004588113	1	45	-1.0	-52.15	330.14	5.82	-46.33
O=C(C1=NC=CC2=NC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588114	0	34	-1.0	-52.56	284.69	3.10	-49.46
O=C(C1=NC=CC2=NC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588114	1	34	-1.0	-52.59	284.63	3.07	-49.52
CC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004588115	0	31	-1.0	-59.94	265.78	2.54	-57.40
CC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004588115	1	31	-1.0	-59.92	265.84	2.56	-57.36
O=C(C1=CN(CC(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588116	0	33	-1.0	-58.67	287.78	2.53	-56.14
O=C(C1=CN(CC(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588116	1	33	-1.0	-58.64	287.73	2.52	-56.12
CN1C=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL250004588117	0	32	-1.0	-64.02	279.26	2.45	-61.57
CN1C=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL250004588117	1	32	-1.0	-63.97	279.20	2.43	-61.54
CC1=CC=C(C=CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004588118	0	40	-1.0	-55.24	331.68	6.66	-48.58
CC1=CC=C(C=CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004588118	1	40	-1.0	-55.25	331.74	6.69	-48.56
O=C(C=CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588119	0	34	-1.0	-53.65	288.24	5.15	-48.50
O=C(C=CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588119	1	34	-1.0	-53.65	288.30	5.18	-48.47
O=C(C1CCCN2C=NN=C12)N1CCCC1C1=N[N-]N=N1	REAL250004588120	0	36	-1.0	-58.54	293.38	4.52	-54.02
O=C(C1CCCN2C=NN=C12)N1CCCC1C1=NN=N[N-]1	REAL250004588120	1	36	-1.0	-58.51	293.44	4.54	-53.97
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL250004588121	0	31	-1.0	-51.68	274.00	1.64	-50.04
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL250004588121	1	31	-1.0	-51.68	273.95	1.61	-50.07
CC(C)(C)OC(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588122	0	38	-1.0	-59.14	306.12	4.62	-54.52
CC(C)(C)OC(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588122	1	38	-1.0	-59.15	306.18	4.65	-54.50
COC1=CC=C(C#CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004588123	0	36	-1.0	-53.64	316.30	4.66	-48.98
COC1=CC=C(C#CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004588123	1	36	-1.0	-53.66	316.36	4.68	-48.98
O=C(C1=CC2=CN=CN=C2N1)N1CCCC1C1=NN=N[N-]1	REAL250004588124	0	32	-1.0	-49.87	273.07	3.18	-46.69
O=C(C1=CC2=CN=CN=C2N1)N1CCCC1C1=N[N-]N=N1	REAL250004588124	1	32	-1.0	-49.85	273.02	3.16	-46.69
CC(C)(C)C(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588125	0	40	-1.0	-48.88	321.33	4.20	-44.68
CC(C)(C)C(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588125	1	40	-1.0	-48.85	321.39	4.23	-44.62
O=C(C1=CN=CC(F)=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588126	0	28	-1.0	-47.55	249.78	0.85	-46.70
O=C(C1=CN=CC(F)=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588126	1	28	-1.0	-47.53	249.72	0.83	-46.70
CC1=NC(C#N)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588127	0	33	-1.0	-48.06	285.78	2.73	-45.33
CC1=NC(C#N)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588127	1	33	-1.0	-48.04	285.84	2.75	-45.29
O=C(C1=CC(C2CC2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588128	0	36	-1.0	-54.76	297.97	4.83	-49.93
O=C(C1=CC(C2CC2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588128	1	36	-1.0	-54.79	298.03	4.85	-49.94
CC(C)(C)C1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588129	0	38	-1.0	-50.47	314.28	1.41	-49.06
CC(C)(C)C1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588129	1	38	-1.0	-50.47	314.22	1.39	-49.08
O=C(C1=CC2=CC=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004588130	0	35	-1.0	-54.70	288.83	5.41	-49.29
O=C(C1=CC2=CC=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004588130	1	35	-1.0	-54.71	288.89	5.42	-49.29
CC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588131	0	32	-1.0	-54.80	269.98	3.40	-51.40
CC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588131	1	32	-1.0	-54.80	270.04	3.43	-51.37
CC1(F)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588132	0	33	-1.0	-48.53	273.04	3.62	-44.91
CC1(F)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588132	1	33	-1.0	-48.56	273.10	3.65	-44.91
C=CCCC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588133	0	45	-1.0	-50.92	340.03	5.80	-45.12
C=CCCC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588133	1	45	-1.0	-50.92	340.09	5.82	-45.10
C=CCC(CC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588134	0	42	-1.0	-50.19	317.90	5.10	-45.09
C=CCC(CC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588134	1	42	-1.0	-50.20	317.95	5.12	-45.08
CC(C)(C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004588135	0	40	-1.0	-46.28	316.35	3.25	-43.03
CC(C)(C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004588135	1	40	-1.0	-46.27	316.40	3.26	-43.01
CC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588136	0	34	-1.0	-57.61	274.74	2.92	-54.69
CC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588136	1	34	-1.0	-57.63	274.80	2.94	-54.69
CC1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=CC2=NN1	REAL250004588137	0	35	-1.0	-56.31	296.54	2.07	-54.24
CC1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=CC2=NN1	REAL250004588137	1	35	-1.0	-56.31	296.60	2.09	-54.22
O=C(C1=CN=C2N=CC=CN12)N1CCCC1C1=NN=N[N-]1	REAL250004588138	0	32	-1.0	-56.51	271.14	4.54	-51.97
O=C(C1=CN=C2N=CC=CN12)N1CCCC1C1=N[N-]N=N1	REAL250004588138	1	32	-1.0	-56.49	271.08	4.53	-51.96
C[C@@H](C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004588139	0	36	-1.0	-55.03	301.53	5.13	-49.90
C[C@@H](C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004588139	1	36	-1.0	-55.06	301.59	5.15	-49.91
O=C(C1=CC=NN1CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL250004588140	0	37	-1.0	-50.79	302.77	3.82	-46.97
O=C(C1=CC=NN1CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL250004588140	1	37	-1.0	-50.84	302.71	3.80	-47.04
O=C(C1CCC(F)(F)CO1)N1CCCC1C1=N[N-]N=N1	REAL250004588141	0	34	-1.0	-59.35	280.77	2.99	-56.36
O=C(C1CCC(F)(F)CO1)N1CCCC1C1=NN=N[N-]1	REAL250004588141	1	34	-1.0	-59.35	280.83	3.02	-56.33
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C[C@H](C)O1	REAL250004588142	0	40	-1.0	-53.55	313.84	3.21	-50.34
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C[C@H](C)O1	REAL250004588142	1	40	-1.0	-53.57	313.90	3.23	-50.34
O=C(C1CC2(CC2F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588143	0	34	-1.0	-55.54	284.64	4.41	-51.13
O=C(C1CC2(CC2F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588143	1	34	-1.0	-55.56	284.70	4.44	-51.12
O=C(C1=NN2CC(F)CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588144	0	34	-1.0	-60.98	287.58	2.89	-58.09
O=C(C1=NN2CC(F)CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588144	1	34	-1.0	-60.95	287.64	2.91	-58.04
CC1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2)O1	REAL250004588145	0	34	-1.0	-54.56	285.83	2.95	-51.61
CC1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2)O1	REAL250004588145	1	34	-1.0	-54.58	285.89	2.97	-51.61
CC1=CC=CC([C@@H](C)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588146	0	39	-1.0	-55.53	316.54	5.73	-49.80
CC1=CC=CC([C@@H](C)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588146	1	39	-1.0	-55.53	316.60	5.75	-49.78
COC1=CC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004588147	0	36	-1.0	-49.57	297.13	0.89	-48.68
COC1=CC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004588147	1	36	-1.0	-49.57	297.18	0.91	-48.66
O=C(C[C@@H]1CC=CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004588148	0	37	-1.0	-53.58	291.16	4.86	-48.72
O=C(C[C@@H]1CC=CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004588148	1	37	-1.0	-53.59	291.22	4.89	-48.70
CCC1=CNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588149	0	34	-1.0	-54.87	280.78	3.40	-51.47
CCC1=CNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588149	1	34	-1.0	-54.90	280.83	3.42	-51.48
O=C(C1=C2CCCCC2=CN1)N1CCCC1C1=N[N-]N=N1	REAL250004588150	0	38	-1.0	-56.67	297.79	4.41	-52.26
O=C(C1=C2CCCCC2=CN1)N1CCCC1C1=NN=N[N-]1	REAL250004588150	1	38	-1.0	-56.73	297.85	4.43	-52.30
COCCOCC=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588151	0	38	-1.0	-57.41	320.73	1.52	-55.89
COCCOCC=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588151	1	38	-1.0	-57.42	320.79	1.55	-55.87
O=C(C=CC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL250004588152	0	35	-1.0	-54.00	288.46	2.51	-51.49
O=C(C=CC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL250004588152	1	35	-1.0	-54.00	288.52	2.54	-51.46
CC1=CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588153	0	37	-1.0	-52.06	289.17	4.47	-47.59
CC1=CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588153	1	37	-1.0	-52.04	289.23	4.50	-47.54
CC[C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL250004588154	0	41	-1.0	-51.94	306.88	4.64	-47.30
CC[C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL250004588154	1	41	-1.0	-51.96	306.94	4.67	-47.29
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL250004588155	0	33	-1.0	-53.18	288.63	4.36	-48.82
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL250004588155	1	33	-1.0	-53.19	288.68	4.38	-48.81
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=NC=N1	REAL250004588156	0	35	-1.0	-52.62	291.88	4.20	-48.42
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=NC=N1	REAL250004588156	1	35	-1.0	-52.60	291.82	4.19	-48.41
CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1C	REAL250004588157	0	39	-1.0	-61.29	320.85	3.68	-57.61
CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1C	REAL250004588157	1	39	-1.0	-61.32	320.90	3.70	-57.62
CC(=O)C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004588158	0	31	-1.0	-56.38	283.52	2.00	-54.38
CC(=O)C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004588158	1	31	-1.0	-56.37	283.58	2.02	-54.35
O=C(C1=CN2N=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588159	0	33	-1.0	-40.61	270.79	2.86	-37.75
O=C(C1=CN2N=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588159	1	33	-1.0	-40.65	270.72	2.86	-37.79
O=C(C1CCCC2=NN=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004588160	0	36	-1.0	-60.35	293.50	4.51	-55.84
O=C(C1CCCC2=NN=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004588160	1	36	-1.0	-60.33	293.55	4.53	-55.80
CC1(C)CCCC(CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588161	0	43	-1.0	-54.83	328.11	4.73	-50.10
CC1(C)CCCC(CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588161	1	43	-1.0	-54.85	328.17	4.76	-50.09
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CN=C1	REAL250004588162	0	36	-1.0	-62.12	296.38	2.57	-59.55
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CN=C1	REAL250004588162	1	36	-1.0	-62.11	296.33	2.55	-59.56
CCN1C(=O)CCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588163	0	37	-1.0	-58.68	300.26	2.87	-55.81
CCN1C(=O)CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588163	1	37	-1.0	-58.71	300.32	2.90	-55.81
O=C(C1=CC=NC2=C1CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004588164	0	36	-1.0	-52.47	291.25	3.64	-48.83
O=C(C1=CC=NC2=C1CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004588164	1	36	-1.0	-52.48	291.31	3.65	-48.83
O=C(CCC1=CC=CC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL250004588165	0	36	-1.0	-53.14	305.28	2.26	-50.88
O=C(CCC1=CC=CC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL250004588165	1	36	-1.0	-53.11	305.34	2.29	-50.82
CCC1=C(C)SC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588166	0	36	-1.0	-53.22	300.56	4.69	-48.53
CCC1=C(C)SC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588166	1	36	-1.0	-53.24	300.62	4.70	-48.54
O=C(C1CCOC(=O)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004588167	0	36	-1.0	-57.95	289.74	3.20	-54.75
O=C(C1CCOC(=O)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004588167	1	36	-1.0	-57.95	289.80	3.21	-54.74
O=C(CCCCCF)N1CCCC1C1=N[N-]N=N1	REAL250004588168	0	35	-1.0	-53.90	290.40	4.14	-49.76
O=C(CCCCCF)N1CCCC1C1=NN=N[N-]1	REAL250004588168	1	35	-1.0	-53.93	290.46	4.17	-49.76
CCN1N=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL250004588169	0	35	-1.0	-51.50	291.01	1.89	-49.61
CCN1N=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL250004588169	1	35	-1.0	-51.45	291.07	1.91	-49.54
O=C(C1CC(=O)CO1)N1CCCC1C1=N[N-]N=N1	REAL250004588170	0	30	-1.0	-57.58	256.64	1.21	-56.37
O=C(C1CC(=O)CO1)N1CCCC1C1=NN=N[N-]1	REAL250004588170	1	30	-1.0	-57.56	256.70	1.24	-56.32
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN(C)C1=O	REAL250004588171	0	36	-1.0	-50.16	303.51	3.31	-46.85
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN(C)C1=O	REAL250004588171	1	36	-1.0	-50.20	303.57	3.33	-46.87
O=C(CC1CCCC(F)(F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588172	0	39	-1.0	-51.89	310.22	5.05	-46.84
O=C(CC1CCCC(F)(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588172	1	39	-1.0	-51.89	310.28	5.08	-46.81
CC1=NN=NN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588173	0	31	-1.0	-63.85	269.20	1.03	-62.82
CC1=NN=NN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588173	1	31	-1.0	-63.87	269.26	1.06	-62.81
O=C(CC1CC(C(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588174	0	36	-1.0	-58.50	296.87	4.53	-53.97
O=C(CC1CC(C(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588174	1	36	-1.0	-58.49	296.92	4.56	-53.93
CC1=CC(Cl)=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004588175	0	30	-1.0	-53.46	277.82	3.89	-49.57
CC1=CC(Cl)=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004588175	1	30	-1.0	-53.42	277.87	3.91	-49.51
CN1N=NC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588176	0	32	-1.0	-57.02	273.62	0.99	-56.03
CN1N=NC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588176	1	32	-1.0	-57.00	273.68	1.00	-56.00
O=C(N1CCCC1C1=N[N-]N=N1)[C@]12C[C@H]1[C@H](F)C2	REAL250004588177	0	31	-1.0	-58.24	264.18	3.65	-54.59
O=C(N1CCCC1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL250004588177	1	31	-1.0	-58.26	264.23	3.67	-54.59
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL250004588178	0	35	-1.0	-72.44	291.22	2.35	-70.09
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL250004588178	1	35	-1.0	-72.49	291.28	2.37	-70.12
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588179	0	40	-1.0	-42.15	319.49	6.08	-36.07
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588179	1	40	-1.0	-42.18	319.56	6.09	-36.09
O=C(C1=NC=C(F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588180	0	28	-1.0	-53.92	250.58	2.03	-51.89
O=C(C1=NC=C(F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588180	1	28	-1.0	-53.92	250.52	2.00	-51.92
O=C(C1=CN=C2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588181	0	39	-1.0	-44.64	302.26	3.62	-41.02
O=C(C1=CN=C2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588181	1	39	-1.0	-44.67	302.33	3.61	-41.06
CC1(C)COCCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588182	0	40	-1.0	-54.85	296.81	2.58	-52.27
CC1(C)COCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588182	1	40	-1.0	-54.86	296.86	2.59	-52.27
O=C(C1=CC=CC2=NN=CN21)N1CCCC1C1=NN=N[N-]1	REAL250004588183	0	32	-1.0	-50.38	280.44	4.90	-45.48
O=C(C1=CC=CC2=NN=CN21)N1CCCC1C1=N[N-]N=N1	REAL250004588183	1	32	-1.0	-50.36	280.38	4.89	-45.47
CN1N=CC(C(F)F)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588184	0	33	-1.0	-52.23	295.57	2.55	-49.68
CN1N=CC(C(F)F)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588184	1	33	-1.0	-52.18	295.51	2.54	-49.64
CC1(C)CCCOC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588185	0	43	-1.0	-56.11	322.95	4.39	-51.72
CC1(C)CCCOC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588185	1	43	-1.0	-56.11	323.01	4.41	-51.70
CC1(C)OCC(CCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588186	0	41	-1.0	-50.26	330.84	2.84	-47.42
CC1(C)OCC(CCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588186	1	41	-1.0	-50.25	330.89	2.86	-47.39
CC1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004588187	0	31	-1.0	-58.08	271.54	0.68	-57.40
CC1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004588187	1	31	-1.0	-58.04	271.60	0.70	-57.34
O=C(C1=CC=C2C=COC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588188	0	33	-1.0	-54.17	278.04	3.88	-50.29
O=C(C1=CC=C2C=COC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588188	1	33	-1.0	-54.17	277.98	3.85	-50.32
C#CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588189	0	32	-1.0	-53.55	278.05	4.76	-48.79
C#CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588189	1	32	-1.0	-53.56	277.99	4.73	-48.83
CC1=C(C)NC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588190	0	36	-1.0	-45.89	284.19	1.16	-44.73
CC1=C(C)NC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588190	1	36	-1.0	-45.90	284.26	1.15	-44.75
CCN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL250004588191	0	36	-1.0	-57.10	298.40	3.31	-53.79
CCN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL250004588191	1	36	-1.0	-57.11	298.46	3.34	-53.77
CCCN1C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588192	0	37	-1.0	-54.14	297.96	4.73	-49.41
CCCN1C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588192	1	37	-1.0	-54.16	298.02	4.75	-49.41
O=C(CC1CC2CC2C1)N1CCCC1C1=N[N-]N=N1	REAL250004588193	0	37	-1.0	-53.05	291.25	5.00	-48.05
O=C(CC1CC2CC2C1)N1CCCC1C1=NN=N[N-]1	REAL250004588193	1	37	-1.0	-53.08	291.31	5.03	-48.05
CCC1=NON=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588194	0	31	-1.0	-44.11	266.65	2.15	-41.96
CCC1=NON=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588194	1	31	-1.0	-44.11	266.70	2.18	-41.93
O=C(C1=CN2N=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588195	0	32	-1.0	-38.79	266.73	1.55	-37.24
O=C(C1=CN2N=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588195	1	32	-1.0	-38.75	266.67	1.54	-37.21
O=C(C1=CN(CCO)N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588196	0	33	-1.0	-50.93	285.64	-1.97	-52.90
O=C(C1=CN(CCO)N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588196	1	33	-1.0	-50.92	285.59	-1.99	-52.91
O=C(CCNC1=CN=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588197	0	36	-1.0	-54.25	304.21	1.67	-52.58
O=C(CCNC1=CN=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588197	1	36	-1.0	-54.28	304.15	1.64	-52.64
O=C(CC1CC2(CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588198	0	40	-1.0	-52.96	315.93	5.60	-47.36
O=C(CC1CC2(CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588198	1	40	-1.0	-52.96	315.99	5.63	-47.33
O=C(C1CCCC(F)(F)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004588199	0	39	-1.0	-55.02	296.45	4.47	-50.55
O=C(C1CCCC(F)(F)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004588199	1	39	-1.0	-55.00	296.51	4.50	-50.50
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588200	0	37	-1.0	-55.86	307.54	3.17	-52.69
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588200	1	37	-1.0	-55.87	307.59	3.20	-52.67
O=C(C1=NOC(CF)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588201	0	29	-1.0	-52.03	258.92	2.42	-49.61
O=C(C1=NOC(CF)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588201	1	29	-1.0	-52.05	258.97	2.44	-49.61
O=C(C1CCC2=CC=NN2C1)N1CCCC1C1=N[N-]N=N1	REAL250004588202	0	37	-1.0	-51.12	300.33	3.12	-48.00
O=C(C1CCC2=CC=NN2C1)N1CCCC1C1=NN=N[N-]1	REAL250004588202	1	37	-1.0	-51.15	300.39	3.14	-48.01
O=C(C1=CC=CC2=NON=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588203	0	31	-1.0	-41.85	261.62	1.91	-39.94
O=C(C1=CC=CC2=NON=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588203	1	31	-1.0	-41.83	261.56	1.92	-39.91
CN1C=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004588204	0	34	-1.0	-57.60	293.01	2.38	-55.22
CN1C=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004588204	1	34	-1.0	-57.63	292.95	2.37	-55.26
CCC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588205	0	32	-1.0	-47.08	273.85	2.61	-44.47
CCC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588205	1	32	-1.0	-47.13	273.91	2.64	-44.49
O=C(C=CC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588206	0	33	-1.0	-53.19	283.34	3.40	-49.79
O=C(C=CC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588206	1	33	-1.0	-53.18	283.40	3.42	-49.76
O=C(C1CC(=O)CC12CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004588207	0	39	-1.0	-50.83	304.96	4.50	-46.33
O=C(C1CC(=O)CC12CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004588207	1	39	-1.0	-50.83	305.02	4.51	-46.32
CC1=CNC2=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL250004588208	0	36	-1.0	-47.67	298.20	3.24	-44.43
CC1=CNC2=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL250004588208	1	36	-1.0	-47.71	297.65	3.25	-44.46
O=C(C1CC2=CC=CN=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004588209	0	36	-1.0	-54.16	293.98	3.77	-50.39
O=C(C1CC2=CC=CN=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004588209	1	36	-1.0	-54.19	294.04	3.80	-50.39
O=C(C1CC(C2CC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004588210	0	35	-1.0	-59.21	294.82	3.90	-55.31
O=C(C1CC(C2CC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004588210	1	35	-1.0	-59.25	294.88	3.92	-55.33
O=C(C1COC(=O)O1)N1CCCC1C1=N[N-]N=N1	REAL250004588211	0	28	-1.0	-60.91	245.19	2.05	-58.86
O=C(C1COC(=O)O1)N1CCCC1C1=NN=N[N-]1	REAL250004588211	1	28	-1.0	-60.95	245.25	2.07	-58.88
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCOC1	REAL250004588212	0	37	-1.0	-52.90	286.38	1.95	-50.95
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCOC1	REAL250004588212	1	37	-1.0	-52.89	286.44	1.98	-50.91
O=C(C1COC2COCC21)N1CCCC1C1=N[N-]N=N1	REAL250004588213	0	36	-1.0	-50.00	282.02	0.16	-49.84
O=C(C1COC2COCC21)N1CCCC1C1=NN=N[N-]1	REAL250004588213	1	36	-1.0	-50.00	282.07	0.19	-49.81
CC1CCOC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588214	0	37	-1.0	-58.10	289.73	3.04	-55.06
CC1CCOC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588214	1	37	-1.0	-58.13	289.79	3.06	-55.07
COC1CC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004588215	0	43	-1.0	-55.50	335.54	3.87	-51.63
COC1CC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004588215	1	43	-1.0	-55.48	335.59	3.90	-51.58
O=C(C1CCC2(CC2(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588216	0	37	-1.0	-52.73	302.46	4.86	-47.87
O=C(C1CCC2(CC2(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588216	1	37	-1.0	-52.74	302.52	4.89	-47.85
O=C(C1CCCC2C1C2(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004588217	0	37	-1.0	-49.27	291.50	4.52	-44.75
O=C(C1CCCC2C1C2(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004588217	1	37	-1.0	-49.27	291.55	4.55	-44.72
C=C1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL250004588218	0	38	-1.0	-53.24	307.93	5.32	-47.92
C=C1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL250004588218	1	38	-1.0	-53.27	307.98	5.34	-47.93
O=C(C1CCC2C1C2(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004588219	0	34	-1.0	-60.93	274.00	4.24	-56.69
O=C(C1CCC2C1C2(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004588219	1	34	-1.0	-60.92	274.05	4.24	-56.68
CC1=C(Cl)C=NN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588220	0	33	-1.0	-53.67	296.71	3.00	-50.67
CC1=C(Cl)C=NN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588220	1	33	-1.0	-53.62	296.76	3.03	-50.59
CN1N=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL250004588221	0	35	-1.0	-67.95	296.38	2.20	-65.75
CN1N=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL250004588221	1	35	-1.0	-67.94	296.32	2.18	-65.76
O=C(CC12CCC(CC1)C2)N1CCCC1C1=N[N-]N=N1	REAL250004588222	0	40	-1.0	-53.58	302.82	5.25	-48.33
O=C(CC12CCC(CC1)C2)N1CCCC1C1=NN=N[N-]1	REAL250004588222	1	40	-1.0	-53.63	302.87	5.27	-48.36
O=C(C1CC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588223	0	38	-1.0	-54.32	309.77	6.01	-48.31
O=C(C1CC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588223	1	38	-1.0	-54.35	309.82	6.03	-48.32
CCCOCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588224	0	39	-1.0	-54.66	317.84	3.28	-51.38
CCCOCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588224	1	39	-1.0	-54.69	317.89	3.31	-51.38
O=C(C1=CN2C=NN=C2C=N1)N1CCCC1C1=NN=N[N-]1	REAL250004588225	0	31	-1.0	-50.43	269.38	4.03	-46.40
O=C(C1=CN2C=NN=C2C=N1)N1CCCC1C1=N[N-]N=N1	REAL250004588225	1	31	-1.0	-50.44	269.32	4.01	-46.43
CN1N=CC(C#N)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588226	0	31	-1.0	-56.99	281.97	1.80	-55.19
CN1N=CC(C#N)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588226	1	31	-1.0	-57.03	281.92	1.78	-55.25
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004588227	0	35	-1.0	-53.04	290.80	3.98	-49.06
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004588227	1	35	-1.0	-53.06	290.74	3.97	-49.09
CC1=CC2=C(OCC2)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588228	0	38	-1.0	-60.82	308.77	4.20	-56.62
CC1=CC2=C(OCC2)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588228	1	38	-1.0	-60.83	308.83	4.22	-56.61
CC(C)C(C)C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588229	0	44	-1.0	-51.65	324.79	5.19	-46.46
CC(C)C(C)C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588229	1	44	-1.0	-51.62	324.85	5.21	-46.41
COC1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL250004588230	0	41	-1.0	-53.68	327.85	3.76	-49.92
COC1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL250004588230	1	41	-1.0	-53.69	327.90	3.78	-49.91
CO[C@@H]1C[C@@]2(C(=O)N3CCCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004588231	0	35	-1.0	-56.96	288.59	2.49	-54.47
CO[C@@H]1C[C@@]2(C(=O)N3CCCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004588231	1	35	-1.0	-56.96	288.64	2.52	-54.44
CC1(C)CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL250004588232	0	40	-1.0	-50.64	306.20	2.86	-47.78
CC1(C)CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL250004588232	1	40	-1.0	-50.63	306.25	2.88	-47.75
O=C(CC1CCCNC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588233	0	40	-1.0	-68.01	311.56	1.52	-66.49
O=C(CC1CCCNC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588233	1	40	-1.0	-68.07	311.62	1.55	-66.52
CN1C=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL250004588234	0	36	-1.0	-53.39	293.12	4.55	-48.84
CN1C=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL250004588234	1	36	-1.0	-53.35	293.06	4.55	-48.80
CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCO1	REAL250004588235	0	37	-1.0	-55.18	290.42	3.43	-51.75
CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCO1	REAL250004588235	1	37	-1.0	-55.18	290.47	3.46	-51.72
O=C(C1=NC2=CC=CNC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588236	0	33	-1.0	-73.50	281.57	2.60	-70.90
O=C(C1=NC2=CC=CNC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588236	1	33	-1.0	-73.47	281.51	2.57	-70.90
O=C(C1C2C3CC1C(=O)C32)N1CCCC1C1=N[N-]N=N1	REAL250004588237	0	34	-1.0	-67.71	279.11	3.64	-64.07
O=C(C1C2C3CC1C(=O)C32)N1CCCC1C1=NN=N[N-]1	REAL250004588237	1	34	-1.0	-67.75	279.16	3.67	-64.08
O=C(C1=CC=CN2N=NC=C12)N1CCCC1C1=NN=N[N-]1	REAL250004588238	0	32	-1.0	-53.94	281.66	2.37	-51.57
O=C(C1=CC=CN2N=NC=C12)N1CCCC1C1=N[N-]N=N1	REAL250004588238	1	32	-1.0	-53.92	281.60	2.36	-51.56
COCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N1	REAL250004588239	0	35	-1.0	-54.94	291.32	1.61	-53.33
COCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N1	REAL250004588239	1	35	-1.0	-54.98	291.38	1.64	-53.34
O=C(CC1CC2(CC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588240	0	37	-1.0	-53.32	299.51	5.14	-48.18
O=C(CC1CC2(CC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588240	1	37	-1.0	-53.31	299.57	5.17	-48.14
CC1=NN(C)C(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588241	0	36	-1.0	-57.18	301.45	2.77	-54.41
CC1=NN(C)C(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588241	1	36	-1.0	-57.18	301.51	2.79	-54.39
CCC(C)CC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588242	0	41	-1.0	-54.27	315.09	4.80	-49.47
CCC(C)CC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588242	1	41	-1.0	-54.27	315.14	4.82	-49.45
CC(C)N(C)C(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588243	0	42	-1.0	-50.57	334.69	3.46	-47.11
CC(C)N(C)C(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588243	1	42	-1.0	-50.58	334.75	3.48	-47.10
O=C(CC1=CSC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588244	0	30	-1.0	-51.95	286.26	4.22	-47.73
O=C(CC1=CSC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588244	1	30	-1.0	-51.94	286.32	4.24	-47.70
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)CC(F)(F)F	REAL250004588245	0	35	-1.0	-54.24	292.01	4.04	-50.20
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)CC(F)(F)F	REAL250004588245	1	35	-1.0	-54.21	292.07	4.06	-50.15
CC1(C)CC2(CC2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588246	0	40	-1.0	-53.67	315.59	5.46	-48.21
CC1(C)CC2(CC2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588246	1	40	-1.0	-53.68	315.64	5.49	-48.19
O=C(C1CCCC12CCC2)N1CCCC1C1=N[N-]N=N1	REAL250004588247	0	40	-1.0	-53.58	300.67	4.89	-48.69
O=C(C1CCCC12CCC2)N1CCCC1C1=NN=N[N-]1	REAL250004588247	1	40	-1.0	-53.54	300.73	4.92	-48.62
CC1COC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL250004588248	0	38	-1.0	-47.36	300.96	4.45	-42.91
CC1COC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL250004588248	1	38	-1.0	-47.36	301.02	4.45	-42.91
C#CC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004588249	0	36	-1.0	-57.01	315.42	5.79	-51.22
C#CC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004588249	1	36	-1.0	-57.05	315.47	5.81	-51.24
CC1=NN=C2CC(C(=O)N3CCCC3C3=N[N-]N=N3)CN12	REAL250004588250	0	36	-1.0	-67.25	293.66	3.90	-63.35
CC1=NN=C2CC(C(=O)N3CCCC3C3=NN=N[N-]3)CN12	REAL250004588250	1	36	-1.0	-67.26	293.72	3.92	-63.34
CC12CC(CC(=O)N3CCCC3C3=N[N-]N=N3)(C1)CO2	REAL250004588251	0	38	-1.0	-55.52	301.92	2.88	-52.64
CC12CC(CC(=O)N3CCCC3C3=NN=N[N-]3)(C1)CO2	REAL250004588251	1	38	-1.0	-55.53	301.98	2.90	-52.63
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCC1C1=N[N-]N=N1	REAL250004588252	0	43	-1.0	-55.24	314.21	5.58	-49.66
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCC1C1=NN=N[N-]1	REAL250004588252	1	43	-1.0	-55.30	314.27	5.60	-49.70
O=C(CCC12CCC(CC1)C2)N1CCCC1C1=N[N-]N=N1	REAL250004588253	0	43	-1.0	-51.62	327.86	5.98	-45.64
O=C(CCC12CCC(CC1)C2)N1CCCC1C1=NN=N[N-]1	REAL250004588253	1	43	-1.0	-51.61	327.92	6.01	-45.60
O=C(CC12CC(C1)C(=O)NC2)N1CCCC1C1=N[N-]N=N1	REAL250004588254	0	38	-1.0	-56.40	302.59	1.20	-55.20
O=C(CC12CC(C1)C(=O)NC2)N1CCCC1C1=NN=N[N-]1	REAL250004588254	1	38	-1.0	-56.35	302.65	1.22	-55.13
CC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL250004588255	0	33	-1.0	-49.87	285.85	2.57	-47.30
CC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL250004588255	1	33	-1.0	-49.84	285.90	2.59	-47.25
O=C([C@@H]1CCC(=O)O1)N1CCCC1C1=N[N-]N=N1	REAL250004588256	0	30	-1.0	-65.08	254.04	2.81	-62.27
O=C([C@@H]1CCC(=O)O1)N1CCCC1C1=NN=N[N-]1	REAL250004588256	1	30	-1.0	-65.10	254.10	2.83	-62.27
O=C(C(F)C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL250004588257	0	33	-1.0	-53.39	268.27	3.67	-49.72
O=C(C(F)C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL250004588257	1	33	-1.0	-53.39	268.33	3.70	-49.69
O=C(C(F)C1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL250004588258	0	34	-1.0	-51.71	275.93	1.75	-49.96
O=C(C(F)C1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL250004588258	1	34	-1.0	-51.72	275.99	1.78	-49.94
CCC1(C)CCC(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588259	0	40	-1.0	-57.81	311.25	4.15	-53.66
CCC1(C)CCC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588259	1	40	-1.0	-57.82	311.31	4.18	-53.64
O=C(C1CC2(CCC2)CO1)N1CCCC1C1=N[N-]N=N1	REAL250004588260	0	38	-1.0	-56.80	298.29	3.88	-52.92
O=C(C1CC2(CCC2)CO1)N1CCCC1C1=NN=N[N-]1	REAL250004588260	1	38	-1.0	-56.83	298.34	3.90	-52.93
O=C(CC1CCCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004588261	0	39	-1.0	-48.91	308.63	5.01	-43.90
O=C(CC1CCCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004588261	1	39	-1.0	-48.94	308.68	5.04	-43.90
O=C(C1CC2(CC(F)C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588262	0	37	-1.0	-53.04	300.90	4.88	-48.16
O=C(C1CC2(CC(F)C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588262	1	37	-1.0	-53.04	300.96	4.90	-48.14
O=C(C1=CC2=CN=NN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588263	0	32	-1.0	-51.32	280.71	2.44	-48.88
O=C(C1=CC2=CN=NN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588263	1	32	-1.0	-51.30	280.65	2.42	-48.88
O=C(C1CCCC2=NC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL250004588264	0	39	-1.0	-53.03	311.36	4.32	-48.71
O=C(C1CCCC2=NC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL250004588264	1	39	-1.0	-53.05	311.42	4.34	-48.71
CN1C=C(SCC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004588265	0	34	-1.0	-54.88	303.00	3.01	-51.87
CN1C=C(SCC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004588265	1	34	-1.0	-54.86	302.95	2.98	-51.88
O=C(CC1CC2(CCC2)CO1)N1CCCC1C1=N[N-]N=N1	REAL250004588266	0	41	-1.0	-57.95	322.77	4.14	-53.81
O=C(CC1CC2(CCC2)CO1)N1CCCC1C1=NN=N[N-]1	REAL250004588266	1	41	-1.0	-57.94	322.83	4.17	-53.77
O=C(C1=CC=C(CCF)C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588267	0	36	-1.0	-52.75	300.77	5.17	-47.58
O=C(C1=CC=C(CCF)C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588267	1	36	-1.0	-52.75	300.83	5.18	-47.57
O=C(C1CC2=CSC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL250004588268	0	34	-1.0	-51.95	289.87	4.55	-47.40
O=C(C1CC2=CSC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL250004588268	1	34	-1.0	-51.96	289.92	4.56	-47.40
CC1=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=N1	REAL250004588269	0	36	-1.0	-50.52	307.65	4.98	-45.54
CC1=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=N1	REAL250004588269	1	36	-1.0	-50.54	307.70	4.99	-45.55
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588270	0	31	-1.0	-47.99	273.44	-0.58	-48.57
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588270	1	31	-1.0	-48.00	273.50	-0.57	-48.57
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588271	0	38	-1.0	-58.59	303.16	0.75	-57.84
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588271	1	38	-1.0	-58.59	303.22	0.78	-57.81
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588272	0	38	-1.0	-50.88	305.51	0.49	-50.39
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588272	1	38	-1.0	-50.88	305.57	0.51	-50.37
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588273	0	36	-1.0	-48.59	297.04	0.48	-48.11
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588273	1	36	-1.0	-48.63	297.09	0.50	-48.13
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588274	0	32	-1.0	-49.77	275.22	-0.48	-50.25
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588274	1	32	-1.0	-49.77	275.27	-0.45	-50.22
[N-]=[N+]=NC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588275	0	35	-1.0	-49.38	292.21	0.17	-49.21
[N-]=[N+]=NC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588275	1	35	-1.0	-49.41	292.27	0.18	-49.23
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C2C=CNC2=N1	REAL250004588276	0	35	-1.0	-55.66	294.80	3.55	-52.11
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C2C=CNC2=N1	REAL250004588276	1	35	-1.0	-55.66	294.74	3.52	-52.14
CC1(C)CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588277	0	45	-1.0	-51.52	322.73	5.34	-46.18
CC1(C)CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588277	1	45	-1.0	-51.53	322.79	5.35	-46.18
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588278	0	45	-1.0	-55.41	325.44	5.48	-49.93
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588278	1	45	-1.0	-55.36	325.49	5.51	-49.85
COC1=CN=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588279	0	32	-1.0	-51.99	273.43	0.61	-51.38
COC1=CN=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588279	1	32	-1.0	-51.97	273.37	0.59	-51.38
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588280	0	33	-1.0	-51.47	283.26	3.96	-47.51
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588280	1	33	-1.0	-51.46	283.32	3.98	-47.48
CC1CC(=O)NCC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588281	0	37	-1.0	-51.75	285.67	0.40	-51.35
CC1CC(=O)NCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588281	1	37	-1.0	-51.78	285.73	0.42	-51.36
CC1(C)C(C)(C)C1(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588282	0	39	-1.0	-48.27	300.33	4.34	-43.93
CC1(C)C(C)(C)C1(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588282	1	39	-1.0	-48.29	300.39	4.37	-43.92
COC1(C#N)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588283	0	35	-1.0	-54.14	296.59	2.03	-52.11
COC1(C#N)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588283	1	35	-1.0	-54.16	296.65	2.04	-52.12
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588284	0	34	-1.0	-55.41	269.46	1.49	-53.92
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588284	1	34	-1.0	-55.47	269.52	1.52	-53.95
CC1(C)CC(CC(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL250004588285	0	40	-1.0	-55.29	314.73	3.25	-52.04
CC1(C)CC(CC(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL250004588285	1	40	-1.0	-55.27	314.79	3.28	-51.99
O=C(CC1CCC(=O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004588286	0	36	-1.0	-68.12	296.00	1.63	-66.49
O=C(CC1CCC(=O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004588286	1	36	-1.0	-68.12	296.06	1.65	-66.47
O=C(C1CCCCC(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588287	0	38	-1.0	-49.91	299.32	3.76	-46.15
O=C(C1CCCCC(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588287	1	38	-1.0	-49.91	299.38	3.78	-46.13
CC1=C2NN=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=CC=C1	REAL250004588288	0	36	-1.0	-56.58	302.02	3.52	-53.06
CC1=C2NN=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=CC=C1	REAL250004588288	1	36	-1.0	-56.57	301.97	3.49	-53.08
O=C(C1CCC2(CCC2)O1)N1CCCC1C1=N[N-]N=N1	REAL250004588289	0	38	-1.0	-58.47	300.79	4.06	-54.41
O=C(C1CCC2(CCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL250004588289	1	38	-1.0	-58.48	300.85	4.09	-54.39
O=C(C1=CC=CC2=C1COC2)N1CCCC1C1=N[N-]N=N1	REAL250004588290	0	35	-1.0	-39.60	277.64	2.32	-37.28
O=C(C1=CC=CC2=C1COC2)N1CCCC1C1=NN=N[N-]1	REAL250004588290	1	35	-1.0	-39.60	277.70	2.32	-37.28
CC1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588291	0	42	-1.0	-52.21	307.76	4.99	-47.22
CC1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588291	1	42	-1.0	-52.21	307.82	5.02	-47.19
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL250004588292	0	30	-1.0	-54.81	256.74	3.40	-51.41
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL250004588292	1	30	-1.0	-54.74	256.78	3.43	-51.31
O=C(C1=NC2=NC=CN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588293	0	32	-1.0	-55.32	275.16	5.66	-49.66
O=C(C1=NC2=NC=CN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588293	1	32	-1.0	-55.30	275.10	5.63	-49.67
COC(=O)C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588294	0	39	-1.0	-56.79	311.33	3.97	-52.82
COC(=O)C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588294	1	39	-1.0	-56.78	311.39	4.00	-52.78
CC1=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL250004588295	0	30	-1.0	-55.25	271.07	1.69	-53.56
CC1=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL250004588295	1	30	-1.0	-55.22	271.12	1.72	-53.50
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004588296	0	33	-1.0	-53.96	285.29	0.14	-53.82
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004588296	1	33	-1.0	-53.98	285.35	0.16	-53.82
O=C(C1=CC(C2CCC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL250004588297	0	36	-1.0	-46.80	297.99	3.83	-42.97
O=C(C1=CC(C2CCC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL250004588297	1	36	-1.0	-46.79	298.04	3.86	-42.93
CC(C)C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588298	0	37	-1.0	-59.35	304.80	3.70	-55.65
CC(C)C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588298	1	37	-1.0	-59.36	304.85	3.73	-55.63
CC(C)(C#N)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588299	0	36	-1.0	-57.37	295.27	3.77	-53.60
CC(C)(C#N)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588299	1	36	-1.0	-57.37	295.33	3.79	-53.58
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588300	0	32	-1.0	-49.65	278.34	1.25	-48.40
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588300	1	32	-1.0	-49.66	278.40	1.28	-48.38
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004588301	0	32	-1.0	-51.52	287.91	-0.50	-52.02
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004588301	1	32	-1.0	-51.50	287.97	-0.47	-51.97
[N-]=[N+]=NCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588302	0	31	-1.0	-54.03	270.95	-0.90	-54.93
[N-]=[N+]=NCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588302	1	31	-1.0	-54.05	271.01	-0.88	-54.93
[N-]=[N+]=NCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588303	0	40	-1.0	-52.05	335.44	1.44	-50.61
[N-]=[N+]=NCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588303	1	40	-1.0	-52.03	335.50	1.46	-50.57
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588304	0	35	-1.0	-55.99	302.23	0.82	-55.17
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588304	1	35	-1.0	-55.99	302.29	0.85	-55.14
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL250004588305	0	35	-1.0	-41.02	292.75	1.74	-39.28
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL250004588305	1	35	-1.0	-40.99	292.81	1.73	-39.26
CCOCC(N=[N+]=[N-])C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588306	0	35	-1.0	-52.24	301.31	-1.83	-54.07
CCOCC(N=[N+]=[N-])C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588306	1	35	-1.0	-52.25	301.37	-1.80	-54.05
CN1C=C(C(F)(F)C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004588307	0	33	-1.0	-50.35	291.23	2.42	-47.93
CN1C=C(C(F)(F)C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004588307	1	33	-1.0	-50.34	291.17	2.41	-47.93
O=C(C1CC(C2CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588308	0	40	-1.0	-54.42	315.44	5.66	-48.76
O=C(C1CC(C2CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588308	1	40	-1.0	-54.47	315.50	5.69	-48.78
C#CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588309	0	36	-1.0	-59.72	315.44	5.78	-53.94
C#CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588309	1	36	-1.0	-59.71	315.50	5.81	-53.90
O=C(C1CCCC2(CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588310	0	43	-1.0	-53.23	324.87	5.78	-47.45
O=C(C1CCCC2(CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588310	1	43	-1.0	-53.27	324.93	5.80	-47.47
CNC(=O)NC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588311	0	35	-1.0	-50.41	291.47	-1.35	-51.76
CNC(=O)NC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588311	1	35	-1.0	-50.44	291.53	-1.34	-51.78
CNC(=O)N[C@@H](C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588312	0	35	-1.0	-50.85	291.93	-1.37	-52.22
CNC(=O)N[C@@H](C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588312	1	35	-1.0	-50.86	291.98	-1.35	-52.21
CNC(=O)N[C@H](C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588313	0	35	-1.0	-49.45	288.00	-1.46	-50.91
CNC(=O)N[C@H](C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588313	1	35	-1.0	-49.42	288.04	-1.44	-50.86
CC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CCS1	REAL250004588314	0	37	-1.0	-52.29	296.42	4.29	-48.00
CC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CCS1	REAL250004588314	1	37	-1.0	-52.26	296.47	4.32	-47.94
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588315	0	38	-1.0	-56.77	313.01	4.12	-52.65
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588315	1	38	-1.0	-56.77	313.07	4.15	-52.62
CC(C)(F)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588316	0	35	-1.0	-49.68	284.77	3.77	-45.91
CC(C)(F)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588316	1	35	-1.0	-49.69	284.82	3.80	-45.89
O=C(CC1=CC=C2OC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588317	0	35	-1.0	-56.64	301.00	1.58	-55.06
O=C(CC1=CC=C2OC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588317	1	35	-1.0	-56.56	301.05	1.60	-54.96
COC1CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588318	0	40	-1.0	-55.57	322.45	3.49	-52.08
COC1CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588318	1	40	-1.0	-55.53	322.50	3.51	-52.02
CCCCC[C@@H](O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588319	0	42	-1.0	-55.39	335.90	3.16	-52.23
CCCCC[C@@H](O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588319	1	42	-1.0	-55.37	335.96	3.19	-52.18
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004588320	0	36	-1.0	-53.69	307.23	4.82	-48.87
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004588320	1	36	-1.0	-53.67	307.17	4.80	-48.87
CCC1=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004588321	0	35	-1.0	-51.25	291.00	3.69	-47.56
CCC1=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004588321	1	35	-1.0	-51.25	291.06	3.71	-47.54
O=C(C1CCCCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004588322	0	37	-1.0	-47.62	275.98	1.08	-46.54
O=C(C1CCCCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004588322	1	37	-1.0	-47.63	276.04	1.10	-46.53
O=C(CC1=C2NC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588323	0	36	-1.0	-63.03	305.62	2.85	-60.18
O=C(CC1=C2NC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588323	1	36	-1.0	-63.00	305.68	2.87	-60.13
COCC(C)(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588324	0	37	-1.0	-57.59	298.60	0.13	-57.46
COCC(C)(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588324	1	37	-1.0	-57.57	298.66	0.16	-57.41
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CS1	REAL250004588325	0	33	-1.0	-52.76	281.67	4.07	-48.69
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CS1	REAL250004588325	1	33	-1.0	-52.81	281.73	4.08	-48.73
CCCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004588327	0	38	-1.0	-50.51	317.22	2.93	-47.58
CCCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004588327	1	38	-1.0	-50.50	317.16	2.90	-47.60
COC(=O)[C@@H]1[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL250004588328	0	39	-1.0	-55.69	314.23	4.24	-51.45
COC(=O)[C@@H]1[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL250004588328	1	39	-1.0	-55.71	314.29	4.26	-51.45
CCC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588329	0	34	-1.0	-62.89	282.07	3.10	-59.79
CCC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588329	1	34	-1.0	-62.93	282.13	3.13	-59.80
CC1=NOC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL250004588330	0	38	-1.0	-48.94	305.98	2.99	-45.95
CC1=NOC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL250004588330	1	38	-1.0	-48.87	306.04	3.02	-45.85
CCCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL250004588331	0	39	-1.0	-56.78	319.41	3.94	-52.84
CCCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL250004588331	1	39	-1.0	-56.81	319.47	3.97	-52.84
CCCC1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588332	0	39	-1.0	-50.25	315.08	3.54	-46.71
CCCC1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588332	1	39	-1.0	-50.26	315.14	3.55	-46.71
CC(C)CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004588334	0	38	-1.0	-50.92	313.75	4.38	-46.54
CC(C)CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004588334	1	38	-1.0	-50.88	313.80	4.41	-46.47
CC1=C(C2CC2)ON=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588335	0	36	-1.0	-51.08	301.58	4.49	-46.59
CC1=C(C2CC2)ON=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588335	1	36	-1.0	-51.08	301.64	4.51	-46.57
O=C(C(F)C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL250004588336	0	37	-1.0	-53.71	292.43	2.50	-51.21
O=C(C(F)C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004588336	1	37	-1.0	-53.72	292.49	2.53	-51.19
CCC1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588337	0	35	-1.0	-54.71	291.47	4.16	-50.55
CCC1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588337	1	35	-1.0	-54.69	291.52	4.19	-50.50
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SN=C1	REAL250004588338	0	29	-1.0	-49.57	254.71	1.90	-47.67
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SN=C1	REAL250004588338	1	29	-1.0	-49.57	254.64	1.87	-47.70
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC2=NNN=C21	REAL250004588339	0	35	-1.0	-51.43	293.06	1.45	-49.98
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC2=NNN=C21	REAL250004588339	1	35	-1.0	-51.42	293.12	1.48	-49.94
CC1(C)NC(=O)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588340	0	37	-1.0	-59.80	294.01	0.39	-59.41
CC1(C)NC(=O)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588340	1	37	-1.0	-59.80	294.07	0.40	-59.40
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCC1C1=N[N-]N=N1	REAL250004588341	0	35	-1.0	-57.28	285.39	0.58	-56.70
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCC1C1=NN=N[N-]1	REAL250004588341	1	35	-1.0	-57.25	285.45	0.60	-56.65
CC1CC(CC(=O)N2CCCC2C2=N[N-]N=N2)C(C)O1	REAL250004588342	0	40	-1.0	-52.18	316.12	3.26	-48.92
CC1CC(CC(=O)N2CCCC2C2=NN=N[N-]2)C(C)O1	REAL250004588342	1	40	-1.0	-52.15	316.17	3.29	-48.86
O=C(C1=COC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588343	0	27	-1.0	-48.48	250.28	2.26	-46.22
O=C(C1=COC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588343	1	27	-1.0	-48.48	250.34	2.27	-46.21
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(F)=C1	REAL250004588344	0	30	-1.0	-47.82	265.72	3.41	-44.41
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(F)=C1	REAL250004588344	1	30	-1.0	-47.78	265.78	3.42	-44.36
CC1(C)[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)[C@@H]1C(F)F	REAL250004588345	0	36	-1.0	-55.21	286.37	4.32	-50.89
CC1(C)[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)[C@@H]1C(F)F	REAL250004588345	1	36	-1.0	-55.20	286.43	4.33	-50.87
CN1N=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL250004588346	0	35	-1.0	-67.95	296.38	2.20	-65.75
CN1N=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL250004588346	1	35	-1.0	-67.94	296.32	2.18	-65.76
COC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL250004588347	0	35	-1.0	-48.24	292.06	-1.17	-49.41
COC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL250004588347	1	35	-1.0	-48.27	292.11	-1.16	-49.43
COC(=O)CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588348	0	39	-1.0	-49.00	321.66	4.36	-44.64
COC(=O)CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588348	1	39	-1.0	-48.98	321.71	4.39	-44.59
CC(CC1=CC=NC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588349	0	38	-1.0	-50.75	312.04	4.08	-46.67
CC(CC1=CC=NC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588349	1	38	-1.0	-50.72	312.10	4.10	-46.62
O=C(C1C2C3CC1CC32)N1CCCC1C1=N[N-]N=N1	REAL250004588350	0	35	-1.0	-55.54	273.16	4.40	-51.14
O=C(C1C2C3CC1CC32)N1CCCC1C1=NN=N[N-]1	REAL250004588350	1	35	-1.0	-55.52	273.21	4.42	-51.10
O=C(C1CC(N2C=CN=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL250004588351	0	37	-1.0	-53.41	303.81	4.90	-48.51
O=C(C1CC(N2C=CN=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004588351	1	37	-1.0	-53.43	303.86	4.92	-48.51
CC(C)CCCOCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588352	0	42	-1.0	-55.36	335.95	4.90	-50.46
CC(C)CCCOCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588352	1	42	-1.0	-55.31	336.01	4.92	-50.39
CC1=CC=CC(C(O)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004588353	0	37	-1.0	-52.97	298.56	2.92	-50.05
CC1=CC=CC(C(O)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004588353	1	37	-1.0	-52.96	298.62	2.95	-50.01
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CN1C	REAL250004588354	0	34	-1.0	-57.42	278.22	3.70	-53.72
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CN1C	REAL250004588354	1	34	-1.0	-57.38	278.28	3.72	-53.66
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL250004588355	0	36	-1.0	-42.59	292.57	4.59	-38.00
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL250004588355	1	36	-1.0	-42.57	292.63	4.60	-37.97
O=C(CC1=CN=NS1)N1CCCC1C1=N[N-]N=N1	REAL250004588356	0	28	-1.0	-53.74	258.00	1.32	-52.42
O=C(CC1=CN=NS1)N1CCCC1C1=NN=N[N-]1	REAL250004588356	1	28	-1.0	-53.76	258.05	1.34	-52.42
CCOC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CS1	REAL250004588357	0	34	-1.0	-58.97	295.12	3.36	-55.61
CCOC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CS1	REAL250004588357	1	34	-1.0	-58.93	295.17	3.38	-55.55
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL250004588359	0	37	-1.0	-54.72	307.11	5.99	-48.73
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL250004588359	1	37	-1.0	-54.68	307.17	6.01	-48.67
CCC(=CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588360	0	40	-1.0	-52.54	323.91	6.23	-46.31
CCC(=CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588360	1	40	-1.0	-52.51	323.97	6.24	-46.27
CC1=CC=C(N(CCC#N)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004588361	0	39	-1.0	-50.57	336.87	7.09	-43.48
CC1=CC=C(N(CCC#N)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004588361	1	39	-1.0	-50.57	336.93	7.11	-43.46
O=C(NC1=NNC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588362	0	29	-1.0	-53.01	256.39	3.71	-49.30
O=C(NC1=NNC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588362	1	29	-1.0	-52.89	256.88	3.68	-49.21
O=C(NC1=NNC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588363	0	26	-1.0	-38.71	242.65	0.57	-38.14
O=C(NC1=NNC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588363	1	26	-1.0	-38.66	242.72	0.59	-38.07
CC(COC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004588364	0	39	-1.0	-46.48	327.93	3.98	-42.50
CC(COC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004588364	1	39	-1.0	-46.51	327.99	3.99	-42.52
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=CC=C2C1	REAL250004588365	0	37	-1.0	-48.45	304.03	4.73	-43.72
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=CC=C2C1	REAL250004588365	1	37	-1.0	-48.47	304.09	4.74	-43.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2N=CSC2=C1	REAL250004588366	0	31	-1.0	-51.66	284.96	2.83	-48.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2N=CSC2=C1	REAL250004588366	1	31	-1.0	-51.65	284.90	2.82	-48.83
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NNC=C2)C1	REAL250004588367	0	39	-1.0	-54.59	315.46	3.46	-51.13
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NNC=C2)C1	REAL250004588367	1	39	-1.0	-54.60	315.52	3.48	-51.12
CC(CN1CCCC1=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004588368	0	39	-1.0	-57.20	320.76	2.73	-54.47
CC(CN1CCCC1=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004588368	1	39	-1.0	-57.20	320.82	2.75	-54.45
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004588369	0	38	-1.0	-48.41	322.58	4.88	-43.53
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004588369	1	38	-1.0	-48.42	322.63	4.90	-43.52
CC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004588370	0	41	-1.0	-46.04	318.16	4.34	-41.70
CC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004588370	1	41	-1.0	-46.06	318.22	4.35	-41.71
CC1=CC=CC=C1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004588371	0	41	-1.0	-48.72	336.14	5.59	-43.13
CC1=CC=CC=C1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004588371	1	41	-1.0	-48.72	336.20	5.61	-43.11
O=C(CCCC1=N[N-]N=N1)NCCC1CC2CCC1C2	REAL250004588372	0	42	-1.0	-46.65	325.79	4.79	-41.86
O=C(CCCC1=NN=N[N-]1)NCCC1CC2CCC1C2	REAL250004588372	1	42	-1.0	-46.67	325.85	4.80	-41.87
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004588373	0	42	-1.0	-48.53	352.62	7.88	-40.65
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004588373	1	42	-1.0	-48.57	352.68	7.90	-40.67
C#CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004588374	0	40	-1.0	-47.31	319.83	6.28	-41.03
C#CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004588374	1	40	-1.0	-47.35	319.89	6.29	-41.06
CC(C)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588375	0	37	-1.0	-38.44	295.45	6.52	-31.92
CC(C)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588375	1	37	-1.0	-38.36	295.56	6.54	-31.82
CC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588376	0	34	-1.0	-35.69	281.37	4.28	-31.41
CC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588376	1	34	-1.0	-35.64	281.44	4.31	-31.33
CCC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004588377	0	41	-1.0	-47.68	336.28	5.51	-42.17
CCC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004588377	1	41	-1.0	-47.71	336.34	5.52	-42.19
CCCC(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588378	0	40	-1.0	-52.76	320.51	6.52	-46.24
CCCC(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588378	1	40	-1.0	-52.53	320.58	6.54	-45.99
CCCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588379	0	37	-1.0	-35.25	306.36	3.41	-31.84
CCCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588379	1	37	-1.0	-35.24	306.42	3.42	-31.82
CCC(C)NC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004588380	0	41	-1.0	-47.30	338.96	1.57	-45.73
CCC(C)NC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004588380	1	41	-1.0	-47.32	339.02	1.59	-45.73
CCS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004588381	0	36	-1.0	-56.09	319.18	-2.49	-58.58
CCS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004588381	1	36	-1.0	-56.09	319.24	-2.48	-58.57
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004588382	0	44	-1.0	-45.41	329.47	5.38	-40.03
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004588382	1	44	-1.0	-45.40	329.53	5.39	-40.01
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2OCCC2=C1	REAL250004588383	0	37	-1.0	-47.52	314.97	3.32	-44.20
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2OCCC2=C1	REAL250004588383	1	37	-1.0	-47.51	315.03	3.34	-44.17
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCNC1=O	REAL250004588384	0	39	-1.0	-54.92	289.93	2.29	-52.63
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCNC1=O	REAL250004588384	1	39	-1.0	-54.93	289.98	2.30	-52.63
COC(=O)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004588385	0	34	-1.0	-52.64	293.26	1.97	-50.67
COC(=O)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004588385	1	34	-1.0	-52.67	293.32	1.99	-50.68
COC(=O)C(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588386	0	34	-1.0	-38.53	303.85	1.75	-36.78
COC(=O)C(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588386	1	34	-1.0	-38.48	303.92	1.77	-36.71
CNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004588387	0	39	-1.0	-55.87	315.21	0.81	-55.06
CNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004588387	1	39	-1.0	-55.86	315.26	0.82	-55.04
CC(C)(O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588388	1	44	-1.0	-47.10	340.13	1.07	-46.03
CC(C)(O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588388	1	44	-1.0	-47.10	340.19	1.08	-46.02
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CN=C1	REAL250004588389	0	35	-1.0	-48.46	307.18	0.11	-48.35
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CN=C1	REAL250004588389	1	35	-1.0	-48.39	307.12	0.10	-48.29
O=C(CCCC1=N[N-]N=N1)NCC(=O)OCC1CC1	REAL250004588390	0	35	-1.0	-44.96	306.04	3.08	-41.88
O=C(CCCC1=NN=N[N-]1)NCC(=O)OCC1CC1	REAL250004588390	1	35	-1.0	-44.98	306.09	3.09	-41.89
CN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004588391	0	36	-1.0	-47.24	292.24	2.98	-44.26
CN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004588391	1	36	-1.0	-47.25	292.30	2.99	-44.26
CN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588392	0	36	-1.0	-39.30	299.72	3.60	-35.70
CN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588392	1	36	-1.0	-39.31	299.78	3.62	-35.69
CCN1N=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588393	0	35	-1.0	-54.20	299.62	5.79	-48.41
CCN1N=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588393	1	35	-1.0	-54.01	299.72	5.81	-48.20
CCN1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588394	0	32	-1.0	-36.07	285.90	2.68	-33.39
CCN1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588394	1	32	-1.0	-36.15	285.83	2.67	-33.48
CC(C)CC(C#N)NC(=O)CCCC1=N[N-]N=N1	REAL250004588395	0	35	-1.0	-49.66	298.43	3.22	-46.44
CC(C)CC(C#N)NC(=O)CCCC1=NN=N[N-]1	REAL250004588395	1	35	-1.0	-49.64	298.49	3.23	-46.41
CC(C)CC(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588396	0	38	-1.0	-55.47	322.39	6.20	-49.27
CC(C)CC(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588396	1	38	-1.0	-55.41	323.19	6.17	-49.24
CC(C)CC(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588397	0	35	-1.0	-37.45	309.02	3.01	-34.44
CC(C)CC(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588397	1	35	-1.0	-37.44	309.08	3.02	-34.42
CCOC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004588398	0	40	-1.0	-49.93	325.71	5.14	-44.79
CCOC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004588398	1	40	-1.0	-49.95	325.77	5.16	-44.79
N#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004588399	0	34	-1.0	-50.31	293.73	0.93	-49.38
N#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004588399	1	34	-1.0	-50.36	293.79	0.94	-49.42
N#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004588400	0	34	-1.0	-40.30	301.13	0.56	-39.74
N#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004588400	1	34	-1.0	-40.28	301.20	0.56	-39.72
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N(CC2CC2)N=C1	REAL250004588401	0	39	-1.0	-47.90	327.64	4.96	-42.94
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N(CC2CC2)N=C1	REAL250004588401	1	39	-1.0	-47.90	327.58	4.94	-42.96
CN(CCC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004588402	0	44	-1.0	-47.62	339.46	6.53	-41.09
CN(CCC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004588402	1	44	-1.0	-47.61	339.52	6.54	-41.07
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C(Cl)=C1	REAL250004588403	0	32	-1.0	-46.44	301.68	4.04	-42.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C(Cl)=C1	REAL250004588403	1	32	-1.0	-46.37	301.74	4.05	-42.32
COCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004588404	0	36	-1.0	-48.74	310.30	2.01	-46.73
COCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004588404	1	36	-1.0	-48.72	310.25	1.99	-46.73
CC(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004588405	0	39	-1.0	-52.55	319.53	2.17	-50.38
CC(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004588405	1	39	-1.0	-52.58	319.59	2.18	-50.40
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C(F)F)=C1	REAL250004588406	0	32	-1.0	-48.26	285.46	4.22	-44.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C(F)F)=C1	REAL250004588406	1	32	-1.0	-48.26	285.52	4.23	-44.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2SC=NC2=C1	REAL250004588407	0	31	-1.0	-48.42	284.28	2.76	-45.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2SC=NC2=C1	REAL250004588407	1	31	-1.0	-48.39	284.22	2.75	-45.64
COC(=O)N1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588408	0	40	-1.0	-56.38	320.22	3.48	-52.90
COC(=O)N1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588408	1	40	-1.0	-56.43	320.28	3.49	-52.94
NC(=O)N1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588409	0	38	-1.0	-55.17	303.15	1.34	-53.83
NC(=O)N1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588409	1	38	-1.0	-55.18	303.20	1.35	-53.83
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004588410	0	41	-1.0	-46.12	331.82	5.61	-40.51
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004588410	1	41	-1.0	-46.12	331.88	5.62	-40.50
CSC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004588412	0	36	-1.0	-51.66	315.38	6.11	-45.55
CSC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004588412	1	36	-1.0	-51.66	315.44	6.12	-45.54
CC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004588413	0	35	-1.0	-48.70	296.57	5.76	-42.94
CC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004588413	1	35	-1.0	-48.73	296.63	5.78	-42.95
CC1=CC=C(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004588414	0	35	-1.0	-36.28	294.17	5.79	-30.49
CC1=CC=C(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004588414	1	35	-1.0	-36.20	294.23	5.80	-30.40
CC1CN(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004588415	0	41	-1.0	-48.04	328.69	-0.31	-48.35
CC1CN(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004588415	1	41	-1.0	-48.04	328.75	-0.30	-48.34
CC(C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588416	0	40	-1.0	-52.58	325.99	6.18	-46.40
CC(C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588416	1	40	-1.0	-52.44	326.05	6.20	-46.24
CC(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588417	0	37	-1.0	-34.82	311.83	3.10	-31.72
CC(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588417	1	37	-1.0	-34.82	311.89	3.11	-31.71
COCCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588418	0	38	-1.0	-52.53	318.85	4.19	-48.34
COCCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588418	1	38	-1.0	-52.31	318.92	4.21	-48.10
COCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588419	0	35	-1.0	-35.74	304.69	1.09	-34.65
COCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588419	1	35	-1.0	-35.73	304.76	1.11	-34.62
O=C(CCCC1=N[N-]N=N1)NC1CCCCC2=CC=CC=C21	REAL250004588420	0	42	-1.0	-48.38	332.05	6.29	-42.09
O=C(CCCC1=NN=N[N-]1)NC1CCCCC2=CC=CC=C21	REAL250004588420	1	42	-1.0	-48.33	332.11	6.31	-42.02
CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004588421	0	38	-1.0	-48.36	321.99	4.91	-43.45
CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004588421	1	38	-1.0	-48.39	322.05	4.93	-43.46
CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004588422	0	38	-1.0	-48.36	321.99	4.91	-43.45
CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004588422	1	38	-1.0	-48.39	322.05	4.93	-43.46
O=C(CCCC1=N[N-]N=N1)NCC1CCOCC1	REAL250004588423	0	36	-1.0	-47.72	292.28	1.47	-46.25
O=C(CCCC1=NN=N[N-]1)NCC1CCOCC1	REAL250004588423	1	36	-1.0	-47.73	292.33	1.49	-46.24
O=C(NCC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588424	0	36	-1.0	-35.87	302.86	1.26	-34.61
O=C(NCC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588424	1	36	-1.0	-35.85	302.94	1.27	-34.58
CC1=CN(CCCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004588425	0	38	-1.0	-49.35	325.00	2.91	-46.44
CC1=CN(CCCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004588425	1	38	-1.0	-49.38	324.95	2.90	-46.48
CCOCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004588426	0	39	-1.0	-48.14	330.21	4.05	-44.09
CCOCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004588426	1	39	-1.0	-48.17	330.27	4.06	-44.11
CC1CCC(C)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588427	0	41	-1.0	-46.27	308.42	4.01	-42.26
CC1CCC(C)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588427	1	41	-1.0	-46.30	308.48	4.02	-42.28
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CC1	REAL250004588428	0	36	-1.0	-48.47	304.44	4.87	-43.60
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CC1	REAL250004588428	1	36	-1.0	-48.51	304.49	4.88	-43.63
CC1=CC=CC=C1C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588429	0	42	-1.0	-46.10	343.59	5.97	-40.13
CC1=CC=CC=C1C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588429	1	42	-1.0	-46.11	343.65	5.98	-40.13
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CN=N2)C=C1	REAL250004588430	0	35	-1.0	-50.86	305.69	3.27	-47.59
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CN=N2)C=C1	REAL250004588430	1	35	-1.0	-50.87	305.63	3.25	-47.62
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NOC=N2)C=C1	REAL250004588431	0	34	-1.0	-53.12	303.60	1.95	-51.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NOC=N2)C=C1	REAL250004588431	1	34	-1.0	-53.10	303.54	1.94	-51.16
O=C(CCCC1=N[N-]N=N1)NC1CCSCC1	REAL250004588432	0	33	-1.0	-46.65	281.51	2.84	-43.81
O=C(CCCC1=NN=N[N-]1)NC1CCSCC1	REAL250004588432	1	33	-1.0	-46.69	281.57	2.85	-43.84
O=C(NC1CCSCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588433	0	33	-1.0	-35.17	292.10	2.65	-32.52
O=C(NC1CCSCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588433	1	33	-1.0	-35.11	292.17	2.65	-32.46
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588434	0	38	-1.0	-46.48	291.16	4.50	-41.98
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588434	1	38	-1.0	-46.48	291.22	4.52	-41.96
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004588435	0	38	-1.0	-34.85	298.85	4.76	-30.09
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004588435	1	38	-1.0	-34.84	298.92	4.76	-30.08
CN1C=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL250004588436	0	36	-1.0	-51.13	306.27	5.13	-46.00
CN1C=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL250004588436	1	36	-1.0	-51.18	306.33	5.14	-46.04
CCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588437	0	39	-1.0	-53.49	312.52	3.30	-50.19
CCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588437	1	39	-1.0	-53.52	312.58	3.31	-50.21
CC1=CSC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004588438	0	37	-1.0	-48.76	328.67	2.73	-46.03
CC1=CSC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004588438	1	37	-1.0	-48.77	328.73	2.75	-46.02
CCC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004588439	0	37	-1.0	-51.40	328.32	2.72	-48.68
CCC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004588439	1	37	-1.0	-51.40	328.38	2.73	-48.67
CC(C)C1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004588441	0	34	-1.0	-36.58	300.23	4.40	-32.18
CC(C)C1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004588441	1	34	-1.0	-36.59	300.16	4.40	-32.19
CCC(CC)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004588442	0	41	-1.0	-47.03	315.27	6.41	-40.62
CCC(CC)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004588442	1	41	-1.0	-46.98	315.33	6.43	-40.55
COCCN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004588443	0	35	-1.0	-49.01	295.62	2.78	-46.23
COCCN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004588443	1	35	-1.0	-49.00	295.68	2.80	-46.20
CCN(CC1=CC=C(O)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004588444	0	39	-1.0	-50.04	327.26	3.65	-46.39
CCN(CC1=CC=C(O)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004588444	1	39	-1.0	-50.04	327.31	3.66	-46.38
CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588445	0	40	-1.0	-38.11	307.91	7.10	-31.01
CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588445	1	40	-1.0	-37.98	308.01	7.12	-30.86
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588446	0	37	-1.0	-35.59	294.55	4.84	-30.75
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588446	1	37	-1.0	-35.55	294.61	4.84	-30.71
COCCOCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004588447	0	42	-1.0	-50.76	351.32	1.30	-49.46
COCCOCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004588447	1	42	-1.0	-50.80	351.38	1.32	-49.48
COC(=O)C(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004588448	0	41	-1.0	-46.60	328.94	5.30	-41.30
COC(=O)C(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004588448	1	41	-1.0	-46.63	328.99	5.32	-41.31
N#CC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004588449	0	36	-1.0	-54.16	292.16	2.88	-51.28
N#CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004588449	1	36	-1.0	-54.16	292.21	2.90	-51.26
N#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL250004588450	0	36	-1.0	-39.55	302.74	2.69	-36.86
N#CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL250004588450	1	36	-1.0	-39.52	302.81	2.70	-36.82
N#CCN(CC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588451	0	30	-1.0	-55.27	276.88	5.39	-49.88
N#CCN(CC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588451	1	30	-1.0	-54.13	277.11	5.41	-48.72
N#CCN(CC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588452	0	27	-1.0	-43.54	263.51	3.56	-39.98
N#CCN(CC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588452	1	27	-1.0	-43.53	263.57	3.57	-39.96
N#CC1(NC(=O)CCCC2=N[N-]N=N2)CCSC1	REAL250004588453	0	31	-1.0	-53.34	277.99	2.22	-51.12
N#CC1(NC(=O)CCCC2=NN=N[N-]2)CCSC1	REAL250004588453	1	31	-1.0	-53.35	278.05	2.23	-51.12
CCC(C)(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588454	0	32	-1.0	-39.35	280.80	1.59	-37.76
CCC(C)(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588454	1	32	-1.0	-39.29	280.87	1.61	-37.68
CCN(CC1=COC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004588456	0	35	-1.0	-47.84	297.89	4.49	-43.35
CCN(CC1=COC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004588456	1	35	-1.0	-47.85	297.95	4.51	-43.34
CCN(CC1=COC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588457	0	35	-1.0	-38.45	303.92	5.29	-33.16
CCN(CC1=COC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588457	1	35	-1.0	-38.40	303.99	5.30	-33.10
COC(=O)N1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004588458	0	40	-1.0	-58.13	329.32	1.82	-56.31
COC(=O)N1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004588458	1	40	-1.0	-58.15	329.38	1.84	-56.31
CN1C=C(CCCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004588459	0	38	-1.0	-50.75	324.95	2.83	-47.92
CN1C=C(CCCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004588459	1	38	-1.0	-50.73	324.90	2.81	-47.92
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CNC2=CC=C1	REAL250004588460	0	33	-1.0	-50.83	283.84	3.41	-47.42
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CNC2=CC=C1	REAL250004588460	1	33	-1.0	-50.85	283.90	3.43	-47.42
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004588461	0	37	-1.0	-44.94	302.97	2.85	-42.09
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004588461	1	37	-1.0	-45.00	303.03	2.87	-42.13
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(COCC2)S1	REAL250004588462	0	33	-1.0	-46.38	292.12	1.70	-44.68
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(COCC2)S1	REAL250004588462	1	33	-1.0	-46.35	292.17	1.72	-44.63
O=C(CCCC1=N[N-]N=N1)NCCC1=CC(F)=CC(F)=C1	REAL250004588463	0	35	-1.0	-49.01	313.41	4.38	-44.63
O=C(CCCC1=NN=N[N-]1)NCCC1=CC(F)=CC(F)=C1	REAL250004588463	1	35	-1.0	-49.00	313.47	4.40	-44.60
CC(C)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588464	0	41	-1.0	-48.21	319.25	5.56	-42.65
CC(C)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588464	1	41	-1.0	-48.24	319.30	5.57	-42.67
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2OCCO2)C1	REAL250004588465	0	41	-1.0	-48.50	323.16	3.17	-45.33
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2OCCO2)C1	REAL250004588465	1	41	-1.0	-48.51	323.21	3.19	-45.32
CCN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004588466	0	37	-1.0	-49.35	305.73	4.52	-44.83
CCN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004588466	1	37	-1.0	-49.38	305.79	4.54	-44.84
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCCCC1	REAL250004588467	0	44	-1.0	-47.64	318.82	5.85	-41.79
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCCCC1	REAL250004588467	1	44	-1.0	-47.64	318.88	5.87	-41.77
NC(=O)NCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588468	0	41	-1.0	-52.57	321.16	0.74	-51.83
NC(=O)NCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588468	1	41	-1.0	-52.65	321.22	0.76	-51.89
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004588469	0	35	-1.0	-47.49	309.29	5.49	-42.00
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004588469	1	35	-1.0	-47.52	309.35	5.51	-42.01
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)CC1	REAL250004588470	0	40	-1.0	-49.53	322.40	4.02	-45.51
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)CC1	REAL250004588470	1	40	-1.0	-49.59	322.46	4.03	-45.56
CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004588471	0	41	-1.0	-48.11	332.71	5.85	-42.26
CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004588471	1	41	-1.0	-48.14	332.76	5.87	-42.27
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004588472	0	36	-1.0	-47.30	285.91	3.46	-43.84
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004588472	1	36	-1.0	-47.31	285.97	3.48	-43.83
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL250004588473	0	36	-1.0	-35.39	291.70	3.99	-31.40
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL250004588473	1	36	-1.0	-35.36	291.77	4.01	-31.35
CC1CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588474	0	32	-1.0	-52.92	275.03	4.90	-48.02
CC1CC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588474	1	32	-1.0	-52.74	275.13	4.93	-47.81
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NC=CN2)C1	REAL250004588475	0	39	-1.0	-55.83	315.41	3.83	-52.00
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NC=CN2)C1	REAL250004588475	1	39	-1.0	-55.86	315.46	3.85	-52.01
N#CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004588476	0	30	-1.0	-53.52	279.77	3.79	-49.73
N#CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004588476	1	30	-1.0	-53.56	279.82	3.80	-49.76
COC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004588479	0	38	-1.0	-51.51	311.34	4.20	-47.31
COC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004588479	1	38	-1.0	-51.56	311.40	4.21	-47.35
COC(=O)[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004588480	0	38	-1.0	-51.59	311.39	4.21	-47.38
COC(=O)[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004588480	1	38	-1.0	-51.55	311.44	4.22	-47.33
COCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588481	0	38	-1.0	-53.15	309.34	3.85	-49.30
COCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588481	1	38	-1.0	-52.98	309.40	3.88	-49.10
COCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588482	0	35	-1.0	-35.15	295.18	0.76	-34.39
COCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588482	1	35	-1.0	-35.11	295.25	0.77	-34.34
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCC1	REAL250004588483	0	39	-1.0	-47.52	304.45	5.53	-41.99
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCC1	REAL250004588483	1	39	-1.0	-47.53	304.51	5.54	-41.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1CCC1	REAL250004588484	0	39	-1.0	-36.45	311.79	5.80	-30.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1CCC1	REAL250004588484	1	39	-1.0	-36.41	311.85	5.80	-30.61
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1C	REAL250004588485	0	44	-1.0	-43.04	315.48	5.96	-37.08
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1C	REAL250004588485	1	44	-1.0	-43.03	315.54	5.98	-37.05
NC(=O)CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004588487	0	42	-1.0	-54.61	333.59	1.69	-52.92
NC(=O)CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004588487	1	42	-1.0	-54.65	333.65	1.71	-52.94
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004588489	0	36	-1.0	-52.31	312.36	0.53	-51.78
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004588489	1	36	-1.0	-52.31	312.41	0.55	-51.76
CN(CCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004588490	0	34	-1.0	-57.15	300.90	0.11	-57.04
CN(CCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004588490	1	34	-1.0	-57.17	300.96	0.13	-57.04
CC(C)(C)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588491	0	41	-1.0	-56.06	334.10	0.90	-55.16
CC(C)(C)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588491	1	41	-1.0	-56.09	334.16	0.91	-55.18
CSC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004588492	0	32	-1.0	-47.76	291.71	2.78	-44.98
CSC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004588492	1	32	-1.0	-47.77	291.65	2.77	-45.00
CC1=NN2CC(NC(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004588493	0	38	-1.0	-54.85	317.60	2.81	-52.04
CC1=NN2CC(NC(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004588493	1	38	-1.0	-54.87	317.65	2.82	-52.05
CC(C)N(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004588494	0	38	-1.0	-53.11	299.05	6.87	-46.24
CC(C)N(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004588494	1	38	-1.0	-52.93	299.14	6.88	-46.05
CC(C)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004588495	0	35	-1.0	-36.38	275.15	5.53	-30.85
CC(C)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004588495	1	35	-1.0	-36.34	275.21	5.53	-30.81
COC(=O)CN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004588497	0	37	-1.0	-52.91	327.73	4.35	-48.56
COC(=O)CN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004588497	1	37	-1.0	-52.91	327.79	4.36	-48.55
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)CC1	REAL250004588498	0	32	-1.0	-53.22	275.79	-0.25	-53.47
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)CC1	REAL250004588498	1	32	-1.0	-53.20	275.84	-0.23	-53.43
CC(C)CCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004588501	0	47	-1.0	-46.24	359.79	6.38	-39.86
CC(C)CCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004588501	1	47	-1.0	-46.24	359.85	6.39	-39.85
CN(CCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004588502	0	37	-1.0	-49.03	312.59	4.58	-44.45
CN(CCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004588502	1	37	-1.0	-49.07	312.64	4.59	-44.48
CC1=CC(C)=C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004588503	0	42	-1.0	-50.27	328.42	7.26	-43.01
CC1=CC(C)=C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004588503	1	42	-1.0	-50.31	328.47	7.27	-43.04
CCN1N=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004588504	0	41	-1.0	-48.69	342.79	3.11	-45.58
CCN1N=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004588504	1	41	-1.0	-48.67	342.85	3.13	-45.54
CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588506	0	34	-1.0	-60.61	304.27	-1.11	-61.72
CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588506	1	34	-1.0	-60.63	304.33	-1.10	-61.73
CC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004588507	0	35	-1.0	-48.99	296.57	5.75	-43.24
CC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004588507	1	35	-1.0	-48.98	296.63	5.77	-43.21
CC1=CC=CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004588508	0	35	-1.0	-36.16	294.16	5.78	-30.38
CC1=CC=CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004588508	1	35	-1.0	-36.16	294.23	5.79	-30.37
CN(CCN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004588509	0	41	-1.0	-48.77	325.61	1.07	-47.70
CN(CCN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004588509	1	41	-1.0	-48.77	325.66	1.08	-47.69
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004588510	0	41	-1.0	-47.66	329.81	6.75	-40.91
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004588510	1	41	-1.0	-47.68	329.87	6.76	-40.92
COC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004588511	0	35	-1.0	-55.56	309.89	3.16	-52.40
COC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004588511	1	35	-1.0	-55.55	309.84	3.15	-52.40
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004588512	0	35	-1.0	-52.13	280.51	6.46	-45.67
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004588512	1	35	-1.0	-52.98	280.89	6.49	-46.49
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004588513	0	32	-1.0	-35.90	266.30	4.79	-31.11
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004588513	1	32	-1.0	-35.82	266.37	4.80	-31.02
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004588514	0	44	-1.0	-45.39	323.81	4.75	-40.64
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004588514	1	44	-1.0	-45.42	323.87	4.76	-40.66
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL250004588515	0	36	-1.0	-51.49	304.00	0.80	-50.69
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL250004588515	1	36	-1.0	-51.52	304.06	0.82	-50.70
CSCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004588516	0	36	-1.0	-48.83	319.12	5.25	-43.58
CSCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004588516	1	36	-1.0	-48.83	319.18	5.26	-43.57
CC1=NN(C)C=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004588517	0	38	-1.0	-50.85	319.84	2.62	-48.23
CC1=NN(C)C=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004588517	1	38	-1.0	-50.87	319.90	2.63	-48.24
O=C(CCCC1=N[N-]N=N1)N(CC1CC1)C1CCCCC1	REAL250004588518	0	45	-1.0	-46.37	345.98	7.56	-38.81
O=C(CCCC1=NN=N[N-]1)N(CC1CC1)C1CCCCC1	REAL250004588518	1	45	-1.0	-46.39	346.04	7.57	-38.82
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004588519	0	36	-1.0	-48.61	301.28	3.54	-45.07
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004588519	1	36	-1.0	-48.61	301.34	3.56	-45.05
CCCCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004588520	0	44	-1.0	-46.28	342.22	5.86	-40.42
CCCCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004588520	1	44	-1.0	-46.30	342.28	5.88	-40.42
CC1=NC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C2C=C1	REAL250004588521	0	37	-1.0	-49.90	314.33	4.52	-45.38
CC1=NC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C2C=C1	REAL250004588521	1	37	-1.0	-49.92	314.38	4.54	-45.38
CC1=NOC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004588522	0	36	-1.0	-49.97	313.66	0.62	-49.35
CC1=NOC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004588522	1	36	-1.0	-49.97	313.71	0.64	-49.33
O=C(CCCC1=N[N-]N=N1)NCCCN1CCOC1=O	REAL250004588523	0	37	-1.0	-56.36	316.95	1.40	-54.96
O=C(CCCC1=NN=N[N-]1)NCCCN1CCOC1=O	REAL250004588523	1	37	-1.0	-56.40	317.01	1.41	-54.99
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)CC1	REAL250004588524	0	33	-1.0	-49.00	269.47	0.35	-48.65
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)CC1	REAL250004588524	1	33	-1.0	-49.01	269.53	0.37	-48.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCNC(=O)CC1	REAL250004588525	0	33	-1.0	-38.91	278.12	0.50	-38.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCNC(=O)CC1	REAL250004588525	1	33	-1.0	-38.95	278.18	0.52	-38.43
CC1=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004588527	0	28	-1.0	-41.61	262.08	2.68	-38.93
O=C(CCCC1=N[N-]N=N1)N1CCCCC2=CC=CC=C21	REAL250004588528	0	39	-1.0	-45.21	312.29	6.97	-38.24
O=C(CCCC1=NN=N[N-]1)N1CCCCC2=CC=CC=C21	REAL250004588528	1	39	-1.0	-45.21	312.35	6.98	-38.23
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)OCCO2	REAL250004588530	0	35	-1.0	-50.15	289.98	1.61	-48.54
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)OCCO2	REAL250004588530	1	35	-1.0	-50.13	290.04	1.62	-48.51
CCN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004588531	0	34	-1.0	-50.45	291.66	3.89	-46.56
CCN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004588531	1	34	-1.0	-50.40	291.72	3.90	-46.50
CCN(CC(=O)OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588532	0	34	-1.0	-39.84	299.10	4.46	-35.38
CCN(CC(=O)OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588532	1	34	-1.0	-39.83	299.17	4.46	-35.37
CCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588534	1	40	-1.0	-46.25	312.52	2.66	-43.59
CCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588534	1	40	-1.0	-46.25	312.57	2.68	-43.57
CC1=NC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004588536	0	33	-1.0	-54.93	289.51	4.20	-50.73
CC1=NC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004588536	1	33	-1.0	-54.61	288.53	4.26	-50.35
CC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004588537	0	30	-1.0	-36.18	275.15	1.14	-35.04
CC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004588537	1	30	-1.0	-36.10	275.22	1.15	-34.95
O=C(CCCC1=N[N-]N=N1)NC1=CN=C(C2CC2)N=C1	REAL250004588538	0	34	-1.0	-50.21	295.29	3.01	-47.20
O=C(CCCC1=NN=N[N-]1)NC1=CN=C(C2CC2)N=C1	REAL250004588538	1	34	-1.0	-50.19	295.34	3.02	-47.17
CCC(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004588539	0	38	-1.0	-49.10	313.52	4.26	-44.84
CCC(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004588539	1	38	-1.0	-49.06	313.46	4.24	-44.82
CNC(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004588540	0	35	-1.0	-53.02	296.88	0.88	-52.14
CNC(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004588540	1	35	-1.0	-53.03	296.94	0.89	-52.14
CNC(=O)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588541	0	35	-1.0	-40.36	304.57	1.26	-39.10
CNC(=O)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588541	1	35	-1.0	-40.37	304.64	1.29	-39.08
CC1=CC2=CNN=C2C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004588542	0	35	-1.0	-59.98	296.64	2.95	-57.03
CC1=CC2=CNN=C2C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004588542	1	35	-1.0	-59.97	296.70	2.97	-57.00
CCN(CC1=CN(C)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004588543	0	38	-1.0	-48.06	320.02	4.33	-43.73
CCN(CC1=CN(C)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004588543	1	38	-1.0	-48.06	319.96	4.31	-43.75
O=C(CCCC1=N[N-]N=N1)NCCCC1=NC=CS1	REAL250004588544	0	34	-1.0	-48.60	306.87	2.14	-46.46
O=C(CCCC1=NN=N[N-]1)NCCCC1=NC=CS1	REAL250004588544	1	34	-1.0	-48.62	306.93	2.16	-46.46
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004588545	0	32	-1.0	-47.59	279.99	4.06	-43.53
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004588545	1	32	-1.0	-47.62	280.05	4.07	-43.55
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL250004588546	0	32	-1.0	-35.02	290.66	3.86	-31.16
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL250004588546	1	32	-1.0	-35.03	290.59	3.85	-31.18
COCCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004588547	0	36	-1.0	-49.33	309.46	3.17	-46.16
COCCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004588547	1	36	-1.0	-49.35	309.52	3.18	-46.17
CN1C2=CC=CC=C2N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004588549	0	38	-1.0	-49.99	325.49	3.80	-46.19
CN1C2=CC=CC=C2N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004588549	1	38	-1.0	-50.01	325.55	3.81	-46.20
CC1=C(C)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1	REAL250004588550	0	35	-1.0	-61.65	299.68	5.09	-56.56
CC1=C(C)C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1	REAL250004588550	1	35	-1.0	-61.52	299.78	5.11	-56.41
CC1=C(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004588551	0	32	-1.0	-41.02	286.82	1.99	-39.03
CC1=C(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004588551	1	32	-1.0	-41.08	286.89	2.01	-39.07
CC1=C(C2CC2)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004588552	0	36	-1.0	-53.98	305.56	3.74	-50.24
CC1=C(C2CC2)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004588552	1	36	-1.0	-53.95	305.62	3.76	-50.19
CC(C)CN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004588553	0	38	-1.0	-48.97	315.07	4.47	-44.50
CC(C)CN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004588553	1	38	-1.0	-49.01	315.01	4.45	-44.56
CN1N=C(C(C)(C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004588554	0	41	-1.0	-50.18	335.49	4.51	-45.67
CN1N=C(C(C)(C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004588554	1	41	-1.0	-50.21	335.43	4.50	-45.71
CC(C)C1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588555	0	39	-1.0	-52.76	308.77	1.92	-50.84
CC(C)C1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588555	1	39	-1.0	-52.75	308.83	1.94	-50.81
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCCCC1	REAL250004588556	0	39	-1.0	-46.50	315.86	2.08	-44.42
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCCCC1	REAL250004588556	1	39	-1.0	-46.55	315.92	2.10	-44.45
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NC=CN2)=C1	REAL250004588557	0	36	-1.0	-60.25	311.98	3.88	-56.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NC=CN2)=C1	REAL250004588557	1	36	-1.0	-60.29	312.03	3.89	-56.40
CC1(C)C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588558	0	36	-1.0	-51.69	287.17	0.89	-50.80
CC1(C)C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588558	1	36	-1.0	-51.73	287.23	0.90	-50.83
O=C(NC1=CNC=CC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588559	0	32	-1.0	-80.83	283.70	4.88	-75.95
O=C(NC1=CNC=CC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588559	1	32	-1.0	-80.63	283.78	4.89	-75.74
O=C(NC1=CNC=CC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588560	0	29	-1.0	-57.08	270.04	1.64	-55.44
O=C(NC1=CNC=CC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588560	1	29	-1.0	-57.08	270.11	1.65	-55.43
CC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588561	0	33	-1.0	-51.60	268.18	0.28	-51.32
CC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588561	1	33	-1.0	-51.66	268.24	0.30	-51.36
CC1C(=O)NCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588562	0	33	-1.0	-39.87	281.23	0.65	-39.22
CC1C(=O)NCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588562	1	33	-1.0	-39.84	281.30	0.66	-39.18
NC(=O)CN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004588563	0	33	-1.0	-58.49	292.17	-3.62	-62.11
NC(=O)CN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004588563	1	33	-1.0	-58.52	292.23	-3.60	-62.12
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1CC1	REAL250004588566	0	39	-1.0	-53.01	300.70	7.58	-45.43
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1CC1	REAL250004588566	1	39	-1.0	-52.84	300.79	7.60	-45.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1CC1	REAL250004588567	0	36	-1.0	-37.56	295.00	5.09	-32.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1CC1	REAL250004588567	1	36	-1.0	-37.56	295.07	5.10	-32.46
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=CC=C(F)C=C21	REAL250004588568	0	32	-1.0	-52.40	288.52	3.33	-49.07
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=CC=C(F)C=C21	REAL250004588568	1	32	-1.0	-52.43	288.58	3.34	-49.09
CCCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004588569	0	44	-1.0	-46.37	336.26	5.80	-40.57
CCCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004588569	1	44	-1.0	-46.40	336.32	5.82	-40.58
CN1C=CN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004588570	0	35	-1.0	-53.59	303.11	4.70	-48.89
CN1C=CN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004588570	1	35	-1.0	-53.40	303.21	4.72	-48.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004588571	0	32	-1.0	-39.28	290.19	1.60	-37.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004588571	1	32	-1.0	-39.27	290.26	1.61	-37.66
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCCC1	REAL250004588573	0	36	-1.0	-47.28	302.23	1.34	-45.94
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCCC1	REAL250004588573	1	36	-1.0	-47.28	302.28	1.36	-45.92
CC1(C)COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588574	0	44	-1.0	-47.54	335.74	-0.24	-47.78
CC1(C)COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588574	1	44	-1.0	-47.48	335.80	-0.22	-47.70
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004588575	0	31	-1.0	-49.51	268.54	1.65	-47.86
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004588575	1	31	-1.0	-49.53	268.60	1.66	-47.87
N#CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL250004588576	0	34	-1.0	-40.59	291.06	4.22	-36.37
N#CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL250004588576	1	34	-1.0	-40.43	291.14	4.22	-36.21
N#CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004588577	0	31	-1.0	-36.13	276.14	1.89	-34.24
N#CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004588577	1	31	-1.0	-37.66	276.25	1.92	-35.74
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CC=C2N1	REAL250004588578	0	35	-1.0	-49.31	305.40	2.20	-47.11
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CC=C2N1	REAL250004588578	1	35	-1.0	-49.33	305.46	2.21	-47.12
C=CCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1OC	REAL250004588579	0	35	-1.0	-37.90	304.94	1.95	-35.95
C=CCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1OC	REAL250004588579	1	35	-1.0	-37.88	304.99	1.96	-35.92
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL250004588580	0	33	-1.0	-38.49	291.92	3.46	-35.03
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL250004588580	1	33	-1.0	-38.54	291.86	3.45	-35.09
CC1=CC=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=C1	REAL250004588581	0	30	-1.0	-36.57	266.75	1.85	-34.72
CC1=CC=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=C1	REAL250004588581	1	30	-1.0	-36.56	266.69	1.84	-34.72
O=C(NCC1=NN=N[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL250004588582	0	36	-1.0	-41.14	302.03	1.22	-39.92
O=C(NCC1=N[N-]N=N1)C1CCCN(C2=NC=CC=N2)C1	REAL250004588582	1	36	-1.0	-41.16	301.97	1.21	-39.95
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCC1=NN=N[N-]1	REAL250004588583	0	33	-1.0	-42.09	295.08	3.14	-38.95
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCC1=N[N-]N=N1	REAL250004588583	1	33	-1.0	-42.08	295.02	3.12	-38.96
O=C(NCC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2N1	REAL250004588584	0	27	-1.0	-35.14	251.78	1.26	-33.88
O=C(NCC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2N1	REAL250004588584	1	27	-1.0	-35.14	251.72	1.25	-33.89
CC1=CC=C(OCCC(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004588585	0	36	-1.0	-36.97	304.45	2.77	-34.20
CC1=CC=C(OCCC(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004588585	1	36	-1.0	-36.92	304.51	2.78	-34.14
CC1=CC(OCCC(=O)NCC2=N[N-]N=N2)=CC(C)=C1	REAL250004588586	0	36	-1.0	-36.88	308.87	2.89	-33.99
CC1=CC(OCCC(=O)NCC2=NN=N[N-]2)=CC(C)=C1	REAL250004588586	1	36	-1.0	-36.88	308.93	2.90	-33.98
CC(=O)NC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CS1	REAL250004588587	0	33	-1.0	-41.32	306.06	0.57	-40.75
CC(=O)NC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CS1	REAL250004588587	1	33	-1.0	-41.32	306.11	0.59	-40.73
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL250004588588	0	25	-1.0	-35.19	246.30	0.50	-34.69
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1	REAL250004588588	1	25	-1.0	-35.17	246.25	0.49	-34.68
CC1=CC(C)=NC2=C(C(=O)NCC3=N[N-]N=N3)C=NN21	REAL250004588589	0	31	-1.0	-48.84	278.92	1.35	-47.49
CC1=CC(C)=NC2=C(C(=O)NCC3=NN=N[N-]3)C=NN21	REAL250004588589	1	31	-1.0	-48.80	278.97	1.36	-47.44
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL250004588590	0	25	-1.0	-36.36	247.96	0.54	-35.82
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=N1	REAL250004588590	1	25	-1.0	-36.37	247.90	0.52	-35.85
O=C(CCNC(=O)C1=CC=CS1)NCC1=N[N-]N=N1	REAL250004588591	0	30	-1.0	-42.95	284.81	-0.62	-43.57
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CCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1OCC	REAL250004588620	0	37	-1.0	-37.81	313.89	2.29	-35.52
CCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1OCC	REAL250004588620	1	37	-1.0	-37.83	313.94	2.30	-35.53
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004588621	0	29	-1.0	-39.83	266.95	1.98	-37.85
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004588621	1	29	-1.0	-39.85	267.01	2.00	-37.85
CC(C)(C)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004588622	0	41	-1.0	-35.07	306.14	3.48	-31.59
CC(C)(C)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004588622	1	41	-1.0	-35.08	306.19	3.50	-31.58
CC1=C(C(=O)NCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004588623	0	28	-1.0	-36.64	249.85	2.42	-34.22
CC1=C(C(=O)NCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004588623	1	28	-1.0	-36.65	249.91	2.44	-34.21
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COC1=CC(OC)=C(C(=O)NCC2=N[N-]N=N2)C=C1OC	REAL250004588625	0	35	-1.0	-41.69	297.43	1.04	-40.65
COC1=CC(OC)=C(C(=O)NCC2=NN=N[N-]2)C=C1OC	REAL250004588625	1	35	-1.0	-41.71	297.49	1.06	-40.65
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CC1=CC(OCC(=O)NCC2=NN=N[N-]2)=CC(C)=C1	REAL250004588626	1	33	-1.0	-38.86	287.98	3.16	-35.70
COC1=CC=CC=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004588627	0	31	-1.0	-42.65	274.35	1.57	-41.08
COC1=CC=CC=C1OCC(=O)NCC1=NN=N[N-]1	REAL250004588627	1	31	-1.0	-42.66	274.41	1.58	-41.08
CC1=CC=C(OCC(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004588628	0	33	-1.0	-39.06	283.50	3.02	-36.04
CC1=CC=C(OCC(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004588628	1	33	-1.0	-39.08	283.56	3.04	-36.04
COC1=CC=C(OC)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004588629	0	31	-1.0	-42.96	268.33	1.09	-41.87
COC1=CC=C(OC)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004588629	1	31	-1.0	-42.95	268.39	1.10	-41.85
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CCCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004588632	0	35	-1.0	-36.49	295.12	3.82	-32.67
CCCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004588632	1	35	-1.0	-36.47	295.18	3.83	-32.64
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COC1=CC=CC(C(=O)NCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004588637	0	34	-1.0	-40.00	300.01	-0.97	-40.97
COC1=CC=CC(C(=O)NCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004588637	1	34	-1.0	-39.97	300.07	-0.95	-40.92
CCOC(=O)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004588638	0	37	-1.0	-40.73	307.37	1.06	-39.67
CCOC(=O)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004588638	1	37	-1.0	-40.71	307.43	1.07	-39.64
CCCCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588639	0	36	-1.0	-36.29	305.82	3.07	-33.22
CCCCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588639	1	36	-1.0	-36.32	305.87	3.09	-33.23
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CCOC(=O)C1=C(C)NC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004588642	0	36	-1.0	-38.72	316.27	1.90	-36.82
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004588642	1	36	-1.0	-38.67	316.32	1.91	-36.76
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CC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588676	1	30	-1.0	-43.03	267.88	0.15	-42.88
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CCOC(=O)C1=C(C)C(C(=O)NCC2=N[N-]N=N2)=C(C)N1	REAL250004588682	0	36	-1.0	-40.13	318.02	1.59	-38.54
CCOC(=O)C1=C(C)C(C(=O)NCC2=NN=N[N-]2)=C(C)N1	REAL250004588682	1	36	-1.0	-40.13	318.08	1.60	-38.53
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004588683	0	37	-1.0	-37.74	309.95	1.99	-35.75
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004588683	1	37	-1.0	-37.74	310.01	2.01	-35.73
O=C(CN1C(=O)COC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004588684	0	32	-1.0	-43.50	282.68	0.69	-42.81
O=C(CN1C(=O)COC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004588684	1	32	-1.0	-43.52	282.73	0.70	-42.82
CCC1=CC=CC=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004588685	0	33	-1.0	-38.69	286.80	3.27	-35.42
CCC1=CC=CC=C1OCC(=O)NCC1=NN=N[N-]1	REAL250004588685	1	33	-1.0	-38.70	286.86	3.29	-35.41
O=C(CN1CCCCCC1=O)NCC1=N[N-]N=N1	REAL250004588686	0	33	-1.0	-44.19	268.13	0.96	-43.23
O=C(CN1CCCCCC1=O)NCC1=NN=N[N-]1	REAL250004588686	1	33	-1.0	-44.21	268.19	0.97	-43.24
CCC1=C(C)SC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004588687	0	29	-1.0	-37.02	264.39	2.31	-34.71
CCC1=C(C)SC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004588687	1	29	-1.0	-37.00	264.45	2.33	-34.67
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004588688	0	32	-1.0	-45.55	288.30	-0.56	-46.11
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004588688	1	32	-1.0	-45.55	288.36	-0.54	-46.09
CCN1N=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004588689	0	31	-1.0	-39.50	277.35	0.59	-38.91
CCN1N=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004588689	1	31	-1.0	-39.51	277.29	0.58	-38.93
CC(SC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004588690	0	30	-1.0	-37.06	278.47	3.10	-33.96
CC(SC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004588690	1	30	-1.0	-37.07	278.53	3.11	-33.96
CN(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004588691	0	33	-1.0	-38.46	291.80	2.50	-35.96
CN(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004588691	1	33	-1.0	-38.42	291.86	2.52	-35.90
CSCC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004588692	0	27	-1.0	-38.86	262.43	1.29	-37.57
CSCC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004588692	1	27	-1.0	-38.88	262.48	1.31	-37.57
O=C(NCC1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)O1	REAL250004588693	0	34	-1.0	-39.86	307.57	2.68	-37.18
O=C(NCC1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL250004588693	1	34	-1.0	-39.88	307.63	2.69	-37.19
CCC1=CC=C(C(=O)CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588695	0	37	-1.0	-37.84	320.69	4.00	-33.84
CCC1=CC=C(C(=O)CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588695	1	37	-1.0	-37.85	320.75	4.01	-33.84
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004588696	0	28	-1.0	-38.35	255.70	2.43	-35.92
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004588696	1	28	-1.0	-38.34	255.76	2.44	-35.90
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(OC)=C1C	REAL250004588697	0	34	-1.0	-36.00	289.19	0.66	-35.34
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(OC)=C1C	REAL250004588697	1	34	-1.0	-36.02	289.25	0.68	-35.34
COC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1OC	REAL250004588698	0	37	-1.0	-39.31	316.33	1.93	-37.38
COC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1OC	REAL250004588698	1	37	-1.0	-39.31	316.39	1.94	-37.37
CC1=CC=C(OC(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588699	0	33	-1.0	-38.09	283.95	3.07	-35.02
CC1=CC=C(OC(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588699	1	33	-1.0	-38.11	284.00	3.08	-35.03
CC1=CC=CC(OC(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004588700	0	33	-1.0	-38.37	283.94	3.07	-35.30
CC1=CC=CC(OC(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004588700	1	33	-1.0	-38.39	284.00	3.08	-35.31
CNC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004588701	0	30	-1.0	-39.04	269.26	0.91	-38.13
CNC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004588701	1	30	-1.0	-38.99	269.32	0.92	-38.07
CC(C)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588702	0	36	-1.0	-36.93	306.24	4.35	-32.58
CC(C)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588702	1	36	-1.0	-36.90	306.30	4.36	-32.54
O=C(NCC1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL250004588703	0	34	-1.0	-43.46	298.65	1.73	-41.73
O=C(NCC1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL250004588703	1	34	-1.0	-43.43	298.71	1.74	-41.69
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004588704	0	31	-1.0	-44.13	281.78	-3.13	-47.26
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004588704	1	31	-1.0	-44.09	281.84	-3.11	-47.20
O=C(CCCC1=CC=CS1)NCC1=N[N-]N=N1	REAL250004588705	0	29	-1.0	-37.35	269.31	2.61	-34.74
O=C(CCCC1=CC=CS1)NCC1=NN=N[N-]1	REAL250004588705	1	29	-1.0	-37.39	269.36	2.62	-34.77
O=C(CN1C=CC(C(F)(F)F)=N1)NCC1=NN=N[N-]1	REAL250004588706	0	26	-1.0	-43.85	257.80	0.35	-43.50
O=C(CN1C=CC(C(F)(F)F)=N1)NCC1=N[N-]N=N1	REAL250004588706	1	26	-1.0	-43.85	257.75	0.33	-43.52
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CC(C)CCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588800	1	39	-1.0	-36.16	323.44	3.61	-32.55
CC(C)OC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588801	0	33	-1.0	-37.00	280.73	2.12	-34.88
CC(C)OC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588801	1	33	-1.0	-37.00	280.79	2.13	-34.87
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CC1=CC=C(C)C(C(=O)CCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004588803	0	37	-1.0	-37.59	315.13	3.90	-33.69
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O=C(C=CC1=CC=CC=C1OC(F)F)NCC1=NN=N[N-]1	REAL250004588807	1	31	-1.0	-40.29	284.27	2.09	-38.20
O=C(CC1=CC=C(Cl)C=C1Cl)NCC1=N[N-]N=N1	REAL250004588808	0	26	-1.0	-36.38	267.15	2.87	-33.51
O=C(CC1=CC=C(Cl)C=C1Cl)NCC1=NN=N[N-]1	REAL250004588808	1	26	-1.0	-36.40	267.21	2.88	-33.52
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O=C(CN1C(=O)C2=CC=CC=C2C1=O)NCC1=NN=N[N-]1	REAL250004588809	1	30	-1.0	-45.65	281.45	1.12	-44.53
O=C(CCC(=O)C1=CC=C(F)C=C1)NCC1=N[N-]N=N1	REAL250004588810	0	31	-1.0	-37.21	284.20	2.62	-34.59
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O=C(NCC1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL250004588812	0	34	-1.0	-38.71	301.96	4.15	-34.56
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL250004588812	1	34	-1.0	-38.74	302.01	4.16	-34.58
O=C(CCC(=O)C1=CC=CS1)NCC1=N[N-]N=N1	REAL250004588813	0	28	-1.0	-37.90	268.69	1.65	-36.25
O=C(CCC(=O)C1=CC=CS1)NCC1=NN=N[N-]1	REAL250004588813	1	28	-1.0	-37.88	268.75	1.66	-36.22
NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004588814	0	27	-1.0	-39.33	250.01	-0.02	-39.35
NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004588814	1	27	-1.0	-39.29	250.07	-0.00	-39.29
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O=C(NCC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1	REAL250004588815	1	28	-1.0	-42.18	255.03	1.68	-40.50
CC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004588816	0	35	-1.0	-36.60	287.67	3.56	-33.04
CC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004588816	1	35	-1.0	-36.57	287.73	3.58	-32.99
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004588817	0	34	-1.0	-36.64	300.19	4.11	-32.53
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004588817	1	34	-1.0	-36.66	300.24	4.13	-32.53
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004588818	0	26	-1.0	-36.16	250.26	2.23	-33.93
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004588818	1	26	-1.0	-36.16	250.32	2.25	-33.91
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL250004588819	0	25	-1.0	-39.74	252.60	3.42	-36.32
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL250004588819	1	25	-1.0	-39.71	252.66	3.44	-36.27
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NCC1=N[N-]N=N1	REAL250004588820	0	29	-1.0	-38.61	274.27	3.10	-35.51
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CC(CC(=O)NCC1=NN=N[N-]1)NC(=O)C1=CC=CC=C1	REAL250004588869	1	36	-1.0	-43.83	312.08	1.53	-42.30
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CN1C(C(=O)NCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004589018	0	26	-1.0	-33.78	242.72	2.12	-31.66
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CC1=C(C)C=C2C(CC(=O)NCC3=N[N-]N=N3)=COC2=C1	REAL250004589023	0	35	-1.0	-41.03	303.09	3.51	-37.52
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CC1CC1C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004589027	1	34	-1.0	-38.41	298.91	3.59	-34.82
COC1=CC(C#N)=CC=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004589028	0	32	-1.0	-42.60	295.14	1.97	-40.63
COC1=CC(C#N)=CC=C1OCC(=O)NCC1=NN=N[N-]1	REAL250004589028	1	32	-1.0	-42.60	295.19	1.98	-40.62
CC1=CC=CC2=C1N=CN(CC(=O)NCC1=NN=N[N-]1)C2=O	REAL250004589029	0	34	-1.0	-46.09	302.05	3.28	-42.81
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CCN1C=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004589030	0	33	-1.0	-42.25	288.27	3.84	-38.41
CCN1C=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004589030	1	33	-1.0	-42.29	288.21	3.82	-38.47
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CC1CC1C1=CC=C(CCC(=O)NCC2=NN=N[N-]2)O1	REAL250004589032	1	36	-1.0	-37.01	310.47	3.94	-33.07
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CC(=O)N1CCC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004589035	0	34	-1.0	-39.59	288.05	2.14	-37.45
CC(=O)N1CCC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004589035	1	34	-1.0	-39.58	288.10	2.15	-37.43
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NC(=O)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004589037	0	32	-1.0	-44.29	265.21	-2.29	-46.58
NC(=O)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004589037	1	32	-1.0	-44.31	265.26	-2.27	-46.58
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CC(NC(=O)C1=CC=CS1)C(=O)NCC1=N[N-]N=N1	REAL250004589139	0	30	-1.0	-37.31	282.24	-0.42	-37.73
CC(NC(=O)C1=CC=CS1)C(=O)NCC1=NN=N[N-]1	REAL250004589139	1	30	-1.0	-37.32	282.30	-0.40	-37.72
CC1=NN(C)C(Cl)=C1C=CC(=O)NCC1=N[N-]N=N1	REAL250004589140	0	30	-1.0	-38.05	287.69	1.24	-36.81
CC1=NN(C)C(Cl)=C1C=CC(=O)NCC1=NN=N[N-]1	REAL250004589140	1	30	-1.0	-38.04	287.75	1.25	-36.79
CC1=NN(C)C2=C1C=C(C(=O)NCC1=NN=N[N-]1)S2	REAL250004589141	0	29	-1.0	-37.86	275.26	0.94	-36.92
CS(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589142	0	28	-1.0	-46.12	263.75	-0.15	-46.27
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CC(C)N1N=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CN=C21	REAL250004589144	0	34	-1.0	-38.18	298.68	1.98	-36.20
CC(C)N1N=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CN=C21	REAL250004589144	1	34	-1.0	-38.15	298.62	1.96	-36.19
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CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NN=N[N-]3)=C12	REAL250004589146	1	34	-1.0	-34.13	291.97	0.28	-33.85
COC1=CC=C(C2=NNC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589147	0	34	-1.0	-39.66	296.88	0.56	-39.10
COC1=CC=C(C2=NNC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004589147	1	34	-1.0	-39.67	296.94	0.57	-39.10
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CN1C=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004589149	0	26	-1.0	-39.50	247.21	1.41	-38.09
CN1C=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004589149	1	26	-1.0	-39.51	247.27	1.42	-38.09
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O=C(NCC1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL250004589151	1	34	-1.0	-44.50	290.84	2.23	-42.27
O=C(NCC1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL250004589152	0	26	-1.0	-38.58	245.99	2.57	-36.01
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CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004589154	0	31	-1.0	-35.27	275.52	2.37	-32.90
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004589154	1	31	-1.0	-35.22	275.57	2.38	-32.84
COC1=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)N=C2C=C1	REAL250004589155	0	32	-1.0	-40.58	284.42	1.00	-39.58
COC1=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)N=C2C=C1	REAL250004589155	1	32	-1.0	-40.55	284.37	0.98	-39.57
CC1=NN(C)C(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL250004589156	0	26	-1.0	-37.29	256.02	-0.13	-37.42
CC1=NN(C)C(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL250004589156	1	26	-1.0	-37.30	256.08	-0.12	-37.42
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CC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004589157	1	35	-1.0	-36.12	294.39	3.88	-32.24
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004589158	0	29	-1.0	-37.79	269.22	1.21	-36.58
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004589158	1	29	-1.0	-37.80	269.28	1.23	-36.57
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CC1=CC=CC(OCCC(=O)NCC2=N[N-]N=N2)=C1C	REAL250004589160	0	36	-1.0	-37.02	303.13	2.84	-34.18
CC1=CC=CC(OCCC(=O)NCC2=NN=N[N-]2)=C1C	REAL250004589160	1	36	-1.0	-37.03	303.19	2.86	-34.17
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CC1=NOC2=NC(C)=CC(C(=O)NCC3=NN=N[N-]3)=C12	REAL250004589197	1	30	-1.0	-35.17	263.81	-1.13	-36.30
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CC(C)(C)C(=O)NCCCC(=O)NCC1=N[N-]N=N1	REAL250004589199	0	38	-1.0	-40.15	317.21	0.11	-40.04
CC(C)(C)C(=O)NCCCC(=O)NCC1=NN=N[N-]1	REAL250004589199	1	38	-1.0	-40.15	317.26	0.12	-40.03
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CC(C(=O)NCC1=N[N-]N=N1)N1C(=O)OC2=CC=CC=C21	REAL250004589205	0	32	-1.0	-47.17	282.99	2.64	-44.53
CC(C(=O)NCC1=NN=N[N-]1)N1C(=O)OC2=CC=CC=C21	REAL250004589205	1	32	-1.0	-47.18	283.05	2.66	-44.52
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CCC(C)C1=CC=CC=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004589211	0	39	-1.0	-39.08	322.17	4.43	-34.65
CCC(C)C1=CC=CC=C1OCC(=O)NCC1=NN=N[N-]1	REAL250004589211	1	39	-1.0	-39.06	322.22	4.45	-34.61
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COC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004589215	0	33	-1.0	-37.87	303.12	2.58	-35.29
COC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004589215	1	33	-1.0	-37.86	303.17	2.60	-35.26
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004589216	0	33	-1.0	-35.90	288.40	3.22	-32.68
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004589216	1	33	-1.0	-35.87	288.45	3.23	-32.64
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1CC1=CC=CC=C1	REAL250004589217	0	36	-1.0	-37.40	305.25	5.46	-31.94
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1CC1=CC=CC=C1	REAL250004589217	1	36	-1.0	-37.39	305.31	5.47	-31.92
O=C(NCC1=N[N-]N=N1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL250004589218	0	37	-1.0	-35.75	292.36	3.62	-32.13
O=C(NCC1=NN=N[N-]1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL250004589218	1	37	-1.0	-35.75	292.41	3.64	-32.11
O=C(CN1N=C2C=CC=CN2C1=O)NCC1=N[N-]N=N1	REAL250004589219	0	29	-1.0	-49.01	269.89	1.64	-47.37
O=C(CN1N=C2C=CC=CN2C1=O)NCC1=NN=N[N-]1	REAL250004589219	1	29	-1.0	-49.00	269.95	1.65	-47.35
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2)CCC1	REAL250004589220	0	33	-1.0	-36.19	285.18	3.57	-32.62
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2)CCC1	REAL250004589220	1	33	-1.0	-36.20	285.24	3.58	-32.62
CC(C)(C)C(=O)NCCC(=O)NCC1=N[N-]N=N1	REAL250004589221	0	35	-1.0	-43.01	295.71	-0.70	-43.71
CC(C)(C)C(=O)NCCC(=O)NCC1=NN=N[N-]1	REAL250004589221	1	35	-1.0	-42.95	295.76	-0.68	-43.63
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2)CCCC1	REAL250004589222	0	36	-1.0	-37.84	296.07	4.64	-33.20
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2)CCCC1	REAL250004589222	1	36	-1.0	-37.85	296.13	4.65	-33.20
O=C(NCC1=NN=N[N-]1)C1=C2CCCC2=NC2=CC=CC=C21	REAL250004589223	0	35	-1.0	-39.97	300.68	3.24	-36.73
O=C(NCC1=N[N-]N=N1)C1=C2CCCC2=NC2=CC=CC=C21	REAL250004589223	1	35	-1.0	-39.96	300.62	3.23	-36.73
CC1=CC=NC2=NC(C(=O)NCC3=N[N-]N=N3)=NN21	REAL250004589224	0	27	-1.0	-50.64	254.01	1.96	-48.68
CC1=CC=NC2=NC(C(=O)NCC3=NN=N[N-]3)=NN21	REAL250004589224	1	27	-1.0	-50.64	254.06	1.98	-48.66
CC12CCC(=O)N1C(C(=O)NCC1=N[N-]N=N1)CS2	REAL250004589225	0	32	-1.0	-44.27	278.59	1.65	-42.62
CC12CCC(=O)N1C(C(=O)NCC1=NN=N[N-]1)CS2	REAL250004589225	1	32	-1.0	-44.30	278.64	1.67	-42.63
CC1(C(=O)NCC2=N[N-]N=N2)CC2=CC=CC=C2C(=O)O1	REAL250004589226	0	33	-1.0	-41.74	286.27	2.68	-39.06
CC1(C(=O)NCC2=NN=N[N-]2)CC2=CC=CC=C2C(=O)O1	REAL250004589226	1	33	-1.0	-41.76	286.33	2.69	-39.07
CS(=O)(=O)N1CCCC1C(=O)NCC1=N[N-]N=N1	REAL250004589227	0	31	-1.0	-49.73	273.31	-1.60	-51.33
CS(=O)(=O)N1CCCC1C(=O)NCC1=NN=N[N-]1	REAL250004589227	1	31	-1.0	-49.70	273.37	-1.59	-51.29
CSC1=NC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004589228	0	25	-1.0	-37.81	259.57	0.38	-37.43
CSC1=NC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004589228	1	25	-1.0	-37.86	259.51	0.36	-37.50
CC12CC3CC(C)(C1)CC(C(=O)NCC1=N[N-]N=N1)(C3)C2	REAL250004589229	0	43	-1.0	-36.04	316.71	4.16	-31.88
CC12CC3CC(C)(C1)CC(C(=O)NCC1=NN=N[N-]1)(C3)C2	REAL250004589229	1	43	-1.0	-36.00	316.77	4.17	-31.83
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL250004589230	0	33	-1.0	-36.99	295.46	4.03	-32.96
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL250004589230	1	33	-1.0	-36.97	295.51	4.04	-32.93
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CCC1	REAL250004589231	0	33	-1.0	-37.75	285.13	3.57	-34.18
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CCC1	REAL250004589231	1	33	-1.0	-37.72	285.19	3.59	-34.13
CC1=CC=CC(C2(C(=O)NCC3=N[N-]N=N3)CCC2)=C1	REAL250004589232	0	36	-1.0	-36.69	300.11	4.17	-32.52
CC1=CC=CC(C2(C(=O)NCC3=NN=N[N-]3)CCC2)=C1	REAL250004589232	1	36	-1.0	-36.64	300.17	4.19	-32.45
CC1=NOC(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=N1	REAL250004589233	0	31	-1.0	-36.99	283.97	0.62	-36.37
CC1=NOC(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=N1	REAL250004589233	1	31	-1.0	-37.01	283.92	0.61	-36.40
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1N1C=CC=C1	REAL250004589234	0	31	-1.0	-38.91	273.81	2.52	-36.39
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1N1C=CC=C1	REAL250004589234	1	31	-1.0	-38.89	273.76	2.51	-36.38
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC1	REAL250004589235	0	33	-1.0	-36.29	278.09	3.58	-32.71
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC1	REAL250004589235	1	33	-1.0	-36.30	278.15	3.60	-32.70
CC(C)N1C=NN=C1SCC(=O)NCC1=NN=N[N-]1	REAL250004589236	0	32	-1.0	-41.04	294.94	2.97	-38.07
CC(C)N1C=NN=C1SCC(=O)NCC1=N[N-]N=N1	REAL250004589236	1	32	-1.0	-41.05	294.88	2.96	-38.09
O=C(CSC1=NN=NN1C1CC1)NCC1=NN=N[N-]1	REAL250004589237	0	29	-1.0	-38.69	281.37	0.18	-38.51
O=C(CSC1=NN=NN1C1CC1)NCC1=N[N-]N=N1	REAL250004589237	1	29	-1.0	-38.70	281.31	0.16	-38.54
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004589238	0	28	-1.0	-36.47	262.34	0.10	-36.37
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004589238	1	28	-1.0	-36.49	262.28	0.09	-36.40
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004589239	0	37	-1.0	-41.47	308.14	3.16	-38.31
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004589239	1	37	-1.0	-41.43	308.19	3.18	-38.25
CSC1=CC=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004589240	0	30	-1.0	-38.88	267.79	2.94	-35.94
CSC1=CC=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004589240	1	30	-1.0	-38.86	267.85	2.95	-35.91
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004589241	0	30	-1.0	-40.15	271.66	2.91	-37.24
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004589241	1	30	-1.0	-40.16	271.60	2.90	-37.26
O=C(NCC1=N[N-]N=N1)C1C2CC3CC(C2)CC1C3	REAL250004589242	0	37	-1.0	-35.99	271.80	3.06	-32.93
O=C(NCC1=NN=N[N-]1)C1C2CC3CC(C2)CC1C3	REAL250004589242	1	37	-1.0	-35.96	271.85	3.08	-32.88
CC1=CC=CC=C1OCCCC(=O)NCC1=N[N-]N=N1	REAL250004589243	0	36	-1.0	-39.01	307.63	3.07	-35.94
CC1=CC=CC=C1OCCCC(=O)NCC1=NN=N[N-]1	REAL250004589243	1	36	-1.0	-38.98	307.69	3.09	-35.89
O=C(NCC1=NN=N[N-]1)C1=CC=CN=C1N1C=CC=N1	REAL250004589244	0	29	-1.0	-45.09	264.82	2.03	-43.06
O=C(NCC1=N[N-]N=N1)C1=CC=CN=C1N1C=CC=N1	REAL250004589244	1	29	-1.0	-45.11	264.77	2.02	-43.09
CC1=NC(C(=O)NCC2=N[N-]N=N2)=NN1C1=NN=CN1	REAL250004589245	0	28	-1.0	-41.94	264.24	2.97	-38.97
CC1=NC(C(=O)NCC2=NN=N[N-]2)=NN1C1=NN=CN1	REAL250004589245	1	28	-1.0	-41.94	264.30	2.99	-38.95
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2C=NC=N2)N=C1	REAL250004589246	0	28	-1.0	-36.88	262.01	3.12	-33.76
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2C=NC=N2)N=C1	REAL250004589246	1	28	-1.0	-36.87	261.96	3.10	-33.77
CC1=NOC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004589247	0	27	-1.0	-36.46	250.00	-1.33	-37.79
CC1=NOC2=NC=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004589247	1	27	-1.0	-36.48	250.05	-1.31	-37.79
O=C(CCCOC1=CC=C(F)C=C1)NCC1=N[N-]N=N1	REAL250004589248	0	33	-1.0	-38.50	293.96	2.39	-36.11
O=C(CCCOC1=CC=C(F)C=C1)NCC1=NN=N[N-]1	REAL250004589248	1	33	-1.0	-38.50	294.02	2.40	-36.10
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004589249	0	30	-1.0	-36.85	279.31	3.46	-33.39
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004589249	1	30	-1.0	-36.85	279.37	3.47	-33.38
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004589250	0	34	-1.0	-37.64	290.75	2.89	-34.75
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004589250	1	34	-1.0	-37.60	290.69	2.87	-34.73
O=C(NCC1=N[N-]N=N1)C1CC2CCCC(C1)C2=O	REAL250004589251	0	35	-1.0	-37.81	274.26	1.98	-35.83
O=C(NCC1=NN=N[N-]1)C1CC2CCCC(C1)C2=O	REAL250004589251	1	35	-1.0	-37.78	274.31	1.99	-35.79
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1N1C=NN=N1	REAL250004589252	0	28	-1.0	-52.22	257.81	1.46	-50.76
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1N1C=NN=N1	REAL250004589252	1	28	-1.0	-52.25	257.75	1.44	-50.81
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004589253	0	34	-1.0	-37.44	304.69	2.56	-34.88
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004589253	1	34	-1.0	-37.45	304.65	2.55	-34.90
CN1C(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C1=O	REAL250004589254	0	30	-1.0	-37.27	277.43	0.52	-36.75
CN1C(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C1=O	REAL250004589254	1	30	-1.0	-37.30	277.49	0.54	-36.76
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL250004589255	0	29	-1.0	-37.84	267.21	1.76	-36.08
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)N=C1	REAL250004589255	1	29	-1.0	-37.84	267.15	1.75	-36.09
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004589256	0	26	-1.0	-36.14	260.72	1.04	-35.10
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004589256	1	26	-1.0	-36.20	260.77	1.06	-35.14
CC1=NN2C(=C1)N=CC(C(=O)NCC1=N[N-]N=N1)=C2C	REAL250004589257	0	31	-1.0	-37.23	278.67	1.11	-36.12
CC1=NN2C(=C1)N=CC(C(=O)NCC1=NN=N[N-]1)=C2C	REAL250004589257	1	31	-1.0	-37.25	278.73	1.12	-36.13
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL250004589258	0	29	-1.0	-40.86	268.06	-1.74	-42.60
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL250004589258	1	29	-1.0	-40.90	268.12	-1.73	-42.63
O=C(NCC1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1F	REAL250004589259	0	23	-1.0	-33.23	234.95	1.50	-31.73
O=C(NCC1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1F	REAL250004589259	1	23	-1.0	-33.23	235.01	1.52	-31.71
CC1CCC2=C(C1)SC=C2C(=O)NCC1=N[N-]N=N1	REAL250004589260	0	33	-1.0	-37.09	283.34	3.41	-33.68
CC1CCC2=C(C1)SC=C2C(=O)NCC1=NN=N[N-]1	REAL250004589260	1	33	-1.0	-37.09	283.40	3.42	-33.67
CCCCC1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004589261	0	41	-1.0	-36.24	312.88	4.14	-32.10
CCCCC1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004589261	1	41	-1.0	-36.22	312.93	4.15	-32.07
CC(NC(=O)C(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004589262	0	35	-1.0	-36.42	293.14	-0.49	-36.91
CC(NC(=O)C(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004589262	1	35	-1.0	-36.49	293.20	-0.47	-36.96
O=C(NCC1=N[N-]N=N1)C12CCC(=O)N1CCS2	REAL250004589263	0	29	-1.0	-39.08	263.71	-0.14	-39.22
O=C(NCC1=NN=N[N-]1)C12CCC(=O)N1CCS2	REAL250004589263	1	29	-1.0	-39.10	263.76	-0.13	-39.23
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=N[N-]N=N1	REAL250004589264	0	35	-1.0	-49.18	304.24	3.77	-45.41
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=NN=N[N-]1	REAL250004589264	1	35	-1.0	-49.16	304.29	3.78	-45.38
O=C(CC1=CC=CC2=CC=CN=C21)NCC1=NN=N[N-]1	REAL250004589265	0	31	-1.0	-43.05	276.26	2.46	-40.59
O=C(CC1=CC=CC2=CC=CN=C21)NCC1=N[N-]N=N1	REAL250004589265	1	31	-1.0	-43.08	276.20	2.45	-40.63
CC1OC2=CC=CC=C2OC1C(=O)NCC1=N[N-]N=N1	REAL250004589266	0	32	-1.0	-37.56	274.12	2.55	-35.01
CC1OC2=CC=CC=C2OC1C(=O)NCC1=NN=N[N-]1	REAL250004589266	1	32	-1.0	-37.55	274.17	2.57	-34.98
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004589267	0	28	-1.0	-39.91	261.91	1.60	-38.31
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004589267	1	28	-1.0	-39.94	261.96	1.62	-38.32
CC(C)C1=CC=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=C1	REAL250004589268	0	36	-1.0	-36.22	305.36	3.09	-33.13
CC(C)C1=CC=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=C1	REAL250004589268	1	36	-1.0	-36.21	305.42	3.11	-33.10
O=C(NCC1=N[N-]N=N1)C1CCCC2=CC=CC=C21	REAL250004589269	0	33	-1.0	-38.04	273.35	3.72	-34.32
O=C(NCC1=NN=N[N-]1)C1CCCC2=CC=CC=C21	REAL250004589269	1	33	-1.0	-38.05	273.41	3.73	-34.32
CC(OC1=CC=CC(F)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004589270	0	30	-1.0	-38.45	268.95	2.46	-35.99
CC(OC1=CC=CC(F)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004589270	1	30	-1.0	-38.46	269.00	2.47	-35.99
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004589271	0	28	-1.0	-33.56	263.35	1.22	-32.34
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004589271	1	28	-1.0	-33.58	263.41	1.23	-32.35
CCCCCCCCCC(=O)NCC1=N[N-]N=N1	REAL250004589272	0	40	-1.0	-35.52	326.66	4.39	-31.13
CCCCCCCCCC(=O)NCC1=NN=N[N-]1	REAL250004589272	1	40	-1.0	-35.55	326.72	4.41	-31.14
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CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL250004589387	1	33	-1.0	-38.28	288.77	2.24	-36.04
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL250004589388	0	37	-1.0	-36.82	305.51	3.44	-33.38
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL250004589388	1	37	-1.0	-36.79	305.56	3.46	-33.33
CC1=CC=CC(NC(=O)NCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004589389	0	35	-1.0	-39.21	306.69	-0.36	-39.57
CC1=CC=CC(NC(=O)NCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004589389	1	35	-1.0	-39.21	306.75	-0.34	-39.55
CC(C)(C)N1CC(C(=O)NCC2=N[N-]N=N2)CC1=O	REAL250004589390	0	36	-1.0	-37.86	292.67	0.89	-36.97
CC(C)(C)N1CC(C(=O)NCC2=NN=N[N-]2)CC1=O	REAL250004589390	1	36	-1.0	-37.89	292.72	0.91	-36.98
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCCC1	REAL250004589391	0	36	-1.0	-35.90	291.51	4.43	-31.47
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCCC1	REAL250004589391	1	36	-1.0	-35.93	291.57	4.45	-31.48
O=C(NCC1=NN=N[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL250004589392	0	29	-1.0	-55.54	260.63	1.38	-54.16
O=C(NCC1=N[N-]N=N1)C1=CNC2=CC=CC=C2C1=O	REAL250004589392	1	29	-1.0	-55.55	260.58	1.36	-54.19
CC(=O)NC1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004589393	0	26	-1.0	-40.95	255.48	-1.68	-42.63
CC(=O)NC1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004589393	1	26	-1.0	-40.99	255.43	-1.69	-42.68
O=C(NCC1=N[N-]N=N1)C1CCCN(C(=O)C2CC2)C1	REAL250004589394	0	37	-1.0	-42.69	302.85	1.80	-40.89
O=C(NCC1=NN=N[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL250004589394	1	37	-1.0	-42.67	302.91	1.81	-40.86
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589395	0	36	-1.0	-42.14	307.45	1.60	-40.54
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004589395	1	36	-1.0	-42.14	307.51	1.62	-40.52
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2N1	REAL250004589396	0	27	-1.0	-35.00	262.03	1.67	-33.33
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL250004589396	1	27	-1.0	-35.01	262.08	1.68	-33.33
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(=O)NC2=C1	REAL250004589397	0	27	-1.0	-38.73	247.27	-1.95	-40.68
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(=O)NC2=C1	REAL250004589397	1	27	-1.0	-38.74	247.33	-1.93	-40.67
CC1=CC=C(C2=NOC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1	REAL250004589398	0	32	-1.0	-36.74	291.69	2.92	-33.82
CC1=CC=C(C2=NOC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1	REAL250004589398	1	32	-1.0	-36.74	291.63	2.90	-33.84
CC(C)C1=NOC(CCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004589399	0	33	-1.0	-37.10	291.46	-0.61	-37.71
CC(C)C1=NOC(CCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004589399	1	33	-1.0	-37.08	291.52	-0.59	-37.67
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004589400	0	30	-1.0	-49.25	277.50	2.56	-46.69
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004589400	1	30	-1.0	-49.20	277.44	2.55	-46.65
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCOCC1	REAL250004589401	0	37	-1.0	-36.23	295.27	2.16	-34.07
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCOCC1	REAL250004589401	1	37	-1.0	-36.21	295.33	2.17	-34.04
CC1=NC(C)=C(CC(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004589402	0	31	-1.0	-46.71	274.14	-0.90	-47.61
CC1=NC(C)=C(CC(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004589402	1	31	-1.0	-46.67	274.19	-0.88	-47.55
CC(C)(C)C1=NOC(CCCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004589403	0	39	-1.0	-41.63	332.38	0.72	-40.91
CC(C)(C)C1=NOC(CCCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004589403	1	39	-1.0	-41.66	332.43	0.73	-40.93
CC(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589404	0	31	-1.0	-41.06	277.47	2.35	-38.71
CC(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004589404	1	31	-1.0	-41.06	277.53	2.36	-38.70
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL250004589405	0	30	-1.0	-38.32	285.67	3.16	-35.16
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL250004589405	1	30	-1.0	-38.31	285.72	3.17	-35.14
CC1=CC=C(C2=NC(C(=O)NCC3=NN=N[N-]3)=CS2)O1	REAL250004589406	0	29	-1.0	-44.67	283.33	0.92	-43.75
CC1=CC=C(C2=NC(C(=O)NCC3=N[N-]N=N3)=CS2)O1	REAL250004589406	1	29	-1.0	-44.70	283.28	0.90	-43.80
CC1=NOC(CCCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004589407	0	30	-1.0	-41.71	270.66	-0.89	-42.60
CC1=NOC(CCCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004589407	1	30	-1.0	-41.69	270.71	-0.88	-42.57
CC1=C(C(=O)NCC2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004589408	0	32	-1.0	-41.68	277.90	1.74	-39.94
CC1=C(C(=O)NCC2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004589408	1	32	-1.0	-41.71	277.96	1.75	-39.96
CCC(CC)N1CC(C(=O)NCC2=N[N-]N=N2)CC1=O	REAL250004589409	0	39	-1.0	-38.11	316.98	2.53	-35.58
CCC(CC)N1CC(C(=O)NCC2=NN=N[N-]2)CC1=O	REAL250004589409	1	39	-1.0	-38.11	317.04	2.54	-35.57
O=C(NCC1=NN=N[N-]1)C1=CNC=C1C1=CC=CC=C1	REAL250004589410	0	31	-1.0	-42.93	275.45	2.77	-40.16
O=C(NCC1=N[N-]N=N1)C1=CNC=C1C1=CC=CC=C1	REAL250004589410	1	31	-1.0	-42.94	275.39	2.75	-40.19
CC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004589411	0	36	-1.0	-39.87	313.37	3.33	-36.54
CC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004589411	1	36	-1.0	-39.87	313.42	3.34	-36.53
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004589412	0	28	-1.0	-39.84	268.08	2.58	-37.26
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004589412	1	28	-1.0	-39.86	268.14	2.59	-37.27
NC(=S)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589413	0	27	-1.0	-42.34	259.23	0.48	-41.86
NC(=S)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004589413	1	27	-1.0	-42.35	259.28	0.49	-41.86
O=C(C=CC1=C(F)C=CC=C1F)NCC1=N[N-]N=N1	REAL250004589414	0	27	-1.0	-39.78	259.84	2.61	-37.17
O=C(C=CC1=C(F)C=CC=C1F)NCC1=NN=N[N-]1	REAL250004589414	1	27	-1.0	-39.80	259.90	2.63	-37.17
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=N1	REAL250004589415	0	30	-1.0	-44.76	268.05	3.10	-41.66
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=N1	REAL250004589415	1	30	-1.0	-44.73	267.99	3.08	-41.65
O=C(CCOC1=CC=C(Cl)C=C1)NCC1=N[N-]N=N1	REAL250004589416	0	30	-1.0	-35.22	282.78	2.07	-33.15
O=C(CCOC1=CC=C(Cl)C=C1)NCC1=NN=N[N-]1	REAL250004589416	1	30	-1.0	-35.20	282.84	2.09	-33.11
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2C=CN=C2)C=C1	REAL250004589417	0	33	-1.0	-43.13	294.84	4.51	-38.62
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL250004589417	1	33	-1.0	-43.09	294.90	4.53	-38.56
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004589418	0	33	-1.0	-39.50	290.19	4.72	-34.78
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004589418	1	33	-1.0	-39.47	290.24	4.74	-34.73
O=C(NCC1=N[N-]N=N1)C1=CC=CN=C1N1CCCCC1	REAL250004589419	0	37	-1.0	-38.95	303.88	2.82	-36.13
O=C(NCC1=NN=N[N-]1)C1=CC=CN=C1N1CCCCC1	REAL250004589419	1	37	-1.0	-38.93	303.94	2.84	-36.09
O=C(CCOCC1CCCO1)NCC1=N[N-]N=N1	REAL250004589420	0	34	-1.0	-37.95	288.78	-0.57	-38.52
O=C(CCOCC1CCCO1)NCC1=NN=N[N-]1	REAL250004589420	1	34	-1.0	-37.94	288.84	-0.55	-38.49
O=C(COCCOC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004589421	0	34	-1.0	-42.86	300.58	2.06	-40.80
O=C(COCCOC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004589421	1	34	-1.0	-42.89	300.64	2.07	-40.82
COC1=CC=CC(COCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004589422	0	34	-1.0	-41.73	300.17	1.61	-40.12
COC1=CC=CC(COCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004589422	1	34	-1.0	-41.70	300.23	1.63	-40.07
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004589423	0	26	-1.0	-37.01	245.65	-0.20	-37.21
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004589423	1	26	-1.0	-37.03	245.60	-0.22	-37.25
CC1=CC=C(N2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)C=C1	REAL250004589424	0	32	-1.0	-41.28	290.31	1.62	-39.66
CC1=CC=C(N2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)C=C1	REAL250004589424	1	32	-1.0	-41.31	290.26	1.61	-39.70
COCCS(=O)(=O)CC(=O)NCC1=N[N-]N=N1	REAL250004589425	0	29	-1.0	-47.80	272.84	-4.10	-51.90
COCCS(=O)(=O)CC(=O)NCC1=NN=N[N-]1	REAL250004589425	1	29	-1.0	-47.86	272.90	-4.08	-51.94
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=N[N-]N=N1	REAL250004589426	0	32	-1.0	-46.41	286.54	0.99	-45.42
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=NN=N[N-]1	REAL250004589426	1	32	-1.0	-46.37	286.60	1.00	-45.37
CC1=CC2=NC=C(C(=O)NCC3=N[N-]N=N3)C(=O)N2C=C1	REAL250004589427	0	31	-1.0	-51.13	275.24	2.07	-49.06
CC1=CC2=NC=C(C(=O)NCC3=NN=N[N-]3)C(=O)N2C=C1	REAL250004589427	1	31	-1.0	-51.14	275.30	2.09	-49.05
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL250004589428	0	29	-1.0	-37.06	278.41	2.16	-34.90
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)S1	REAL250004589428	1	29	-1.0	-37.05	278.36	2.15	-34.90
O=C(CCCN1C(=O)CCC1=O)NCC1=N[N-]N=N1	REAL250004589429	0	32	-1.0	-45.27	284.42	0.18	-45.09
O=C(CCCN1C(=O)CCC1=O)NCC1=NN=N[N-]1	REAL250004589429	1	32	-1.0	-45.27	284.48	0.20	-45.07
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCC1=N[N-]N=N1	REAL250004589430	0	30	-1.0	-36.46	288.64	2.12	-34.34
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCC1=NN=N[N-]1	REAL250004589430	1	30	-1.0	-36.40	288.70	2.14	-34.26
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004589431	0	29	-1.0	-40.77	280.81	-0.53	-41.30
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004589431	1	29	-1.0	-40.80	280.76	-0.54	-41.34
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL250004589432	0	29	-1.0	-35.59	276.70	2.31	-33.28
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL250004589432	1	29	-1.0	-35.58	276.64	2.29	-33.29
CCN1CCN(CC(=O)NCC2=N[N-]N=N2)C(=O)C1=O	REAL250004589433	0	34	-1.0	-52.73	296.53	0.25	-52.48
CCN1CCN(CC(=O)NCC2=NN=N[N-]2)C(=O)C1=O	REAL250004589433	1	34	-1.0	-52.75	296.58	0.27	-52.48
COC1=CC=C2NC=C(CC(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004589434	0	34	-1.0	-44.20	297.64	1.27	-42.93
COC1=CC=C2NC=C(CC(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004589434	1	34	-1.0	-44.18	297.70	1.28	-42.90
O=C(NCC1=NN=N[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL250004589435	0	36	-1.0	-40.13	299.95	2.05	-38.08
O=C(NCC1=N[N-]N=N1)C1CCN(C2=NC=CC=N2)CC1	REAL250004589435	1	36	-1.0	-40.17	299.89	2.03	-38.14
CCC1=CC(OCC(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004589436	0	33	-1.0	-37.47	300.58	3.61	-33.86
CCC1=CC(OCC(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004589436	1	33	-1.0	-37.43	300.64	3.63	-33.80
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=N[N-]N=N1	REAL250004589437	0	37	-1.0	-38.74	307.29	4.34	-34.40
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=NN=N[N-]1	REAL250004589437	1	37	-1.0	-38.75	307.35	4.35	-34.40
COC1=CC=CC(COC(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004589438	0	37	-1.0	-41.82	319.95	2.31	-39.51
COC1=CC=CC(COC(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004589438	1	37	-1.0	-41.80	320.01	2.33	-39.47
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C(C)C)=N1	REAL250004589439	0	31	-1.0	-35.65	279.94	1.07	-34.58
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C(C)C)=N1	REAL250004589439	1	31	-1.0	-35.70	280.00	1.09	-34.61
CCCC1=NC(C)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004589440	0	31	-1.0	-35.53	280.66	1.25	-34.28
CCCC1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004589440	1	31	-1.0	-35.53	280.72	1.27	-34.26
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2CCOC2=O)C=C1	REAL250004589441	0	32	-1.0	-44.66	280.10	1.32	-43.34
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL250004589441	1	32	-1.0	-44.72	280.16	1.34	-43.38
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004589442	0	33	-1.0	-52.17	284.01	-0.03	-52.20
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004589442	1	33	-1.0	-52.20	284.07	-0.01	-52.21
CC1=NN(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL250004589443	0	35	-1.0	-42.09	301.60	2.70	-39.39
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CC1=CC=C(CCCCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004589725	0	38	-1.0	-36.80	321.99	4.97	-31.83
CC1=CC=C(CCCCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004589725	1	38	-1.0	-36.82	322.04	4.99	-31.83
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NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004589785	1	24	-1.0	-35.44	238.79	-1.34	-36.78
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COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004589787	0	29	-1.0	-36.19	267.01	1.99	-34.20
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004589787	1	29	-1.0	-36.19	267.07	2.00	-34.19
CC1=C(C(=O)NCC2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL250004589788	0	33	-1.0	-36.92	291.34	2.29	-34.63
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CC(C)(C(=O)NCC1=NN=N[N-]1)N1C=C([N+](=O)[O-])C=N1	REAL250004589826	0	31	-1.0	-40.79	281.09	1.32	-39.47
CC(C)(C(=O)NCC1=N[N-]N=N1)N1C=C([N+](=O)[O-])C=N1	REAL250004589826	1	31	-1.0	-40.84	281.03	1.31	-39.53
CC1=CC2=CNN=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004589827	0	29	-1.0	-49.74	259.50	0.71	-49.03
CC1=CC2=CNN=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004589827	1	29	-1.0	-49.73	259.45	0.69	-49.04
COC(=O)CSCCC(=O)NCC1=N[N-]N=N1	REAL250004589828	0	29	-1.0	-38.91	276.16	1.10	-37.81
COC(=O)CSCCC(=O)NCC1=NN=N[N-]1	REAL250004589828	1	29	-1.0	-38.93	276.22	1.11	-37.82
CC(NC(=O)CC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004589829	0	42	-1.0	-36.47	334.56	1.53	-34.94
CC(NC(=O)CC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004589829	1	42	-1.0	-36.51	334.62	1.54	-34.97
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2CCCCC2)=N1	REAL250004589830	0	39	-1.0	-38.98	317.80	2.81	-36.17
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2CCCCC2)=N1	REAL250004589830	1	39	-1.0	-38.99	317.85	2.83	-36.16
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CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004589832	0	33	-1.0	-38.34	290.62	3.01	-35.33
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004589832	1	33	-1.0	-38.34	290.68	3.02	-35.32
CC(C)(C)N1C=CN=C1SCC(=O)NCC1=N[N-]N=N1	REAL250004589833	0	36	-1.0	-39.29	310.84	2.52	-36.77
CC(C)(C)N1C=CN=C1SCC(=O)NCC1=NN=N[N-]1	REAL250004589833	1	36	-1.0	-39.26	310.90	2.54	-36.72
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CC(C)(C)C1=NC(CC(=O)NCC2=N[N-]N=N2)=CS1	REAL250004589835	0	34	-1.0	-39.26	302.93	1.42	-37.84
CC(C)(C)C1=NC(CC(=O)NCC2=NN=N[N-]2)=CS1	REAL250004589835	1	34	-1.0	-39.28	302.99	1.43	-37.85
CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004589836	0	32	-1.0	-38.19	276.06	3.19	-35.00
CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004589836	1	32	-1.0	-38.16	276.12	3.20	-34.96
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CC1=NSC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004589841	0	27	-1.0	-36.10	258.77	0.08	-36.02
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CS(=O)(=O)C1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004589844	0	32	-1.0	-40.49	273.07	-1.56	-42.05
CS(=O)(=O)C1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004589844	1	32	-1.0	-40.52	273.13	-1.55	-42.07
CC(C)OC1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004589845	0	36	-1.0	-39.31	304.29	2.83	-36.48
CC(C)OC1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004589845	1	36	-1.0	-39.32	304.35	2.85	-36.47
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CCC(C(=O)NCC1=N[N-]N=N1)N1CCCC1=O	REAL250004590036	0	33	-1.0	-45.82	275.32	1.94	-43.88
CCC(C(=O)NCC1=NN=N[N-]1)N1CCCC1=O	REAL250004590036	1	33	-1.0	-45.82	275.38	1.95	-43.87
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CC(C)C(CC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590038	0	44	-1.0	-36.49	329.22	4.41	-32.08
CC(C)C(CC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590038	1	44	-1.0	-36.48	329.28	4.43	-32.05
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CCC(CC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590047	0	41	-1.0	-35.94	311.81	4.15	-31.79
CCC(CC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590047	1	41	-1.0	-35.95	311.86	4.16	-31.79
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CC1CCCC(OCC(=O)NCC2=N[N-]N=N2)C1	REAL250004590051	0	36	-1.0	-38.37	291.41	2.62	-35.75
CC1CCCC(OCC(=O)NCC2=NN=N[N-]2)C1	REAL250004590051	1	36	-1.0	-38.36	291.46	2.64	-35.72
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CC(CC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590060	0	38	-1.0	-35.33	294.13	3.40	-31.93
CC(CC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590060	1	38	-1.0	-35.33	294.18	3.42	-31.91
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CC1=NOC(COCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004590063	1	28	-1.0	-43.73	262.29	-2.08	-45.81
CCC(CC1CCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590064	0	38	-1.0	-36.35	298.65	3.40	-32.95
CCC(CC1CCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590064	1	38	-1.0	-36.35	298.71	3.42	-32.93
CC1=CC=C(N2CCCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590065	0	38	-1.0	-40.18	309.13	3.66	-36.52
CC1=CC=C(N2CCCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590065	1	38	-1.0	-40.21	309.19	3.68	-36.53
CCC(OC1CCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590066	0	36	-1.0	-36.35	295.52	2.91	-33.44
CCC(OC1CCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590066	1	36	-1.0	-36.33	295.57	2.93	-33.40
CC(OC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590067	0	36	-1.0	-37.33	288.62	2.57	-34.76
CC(OC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590067	1	36	-1.0	-37.32	288.68	2.58	-34.74
N#CCOC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590068	0	31	-1.0	-41.99	286.90	1.93	-40.06
N#CCOC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004590068	1	31	-1.0	-41.98	286.96	1.95	-40.03
CCCCCCC(CC)C(=O)NCC1=N[N-]N=N1	REAL250004590069	0	40	-1.0	-35.57	316.43	3.81	-31.76
CCCCCCC(CC)C(=O)NCC1=NN=N[N-]1	REAL250004590069	1	40	-1.0	-35.56	316.48	3.82	-31.74
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1OC1CCCC1	REAL250004590070	0	37	-1.0	-42.16	303.48	4.67	-37.49
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O=C(CN1C(=O)CCC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004590071	0	34	-1.0	-43.44	291.34	2.61	-40.83
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CC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(C(C)C)=N1	REAL250004590074	1	33	-1.0	-34.75	278.84	1.36	-33.39
CCC(SC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590075	0	33	-1.0	-36.54	293.07	3.55	-32.99
CCC(SC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004590075	1	33	-1.0	-36.58	293.12	3.57	-33.01
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COC1=C(C(=O)NCC2=N[N-]N=N2)SC(C)=C1	REAL250004590077	0	27	-1.0	-42.65	253.64	1.34	-41.31
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CNC(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590081	0	30	-1.0	-45.86	268.00	-0.47	-46.33
CNC(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590081	1	30	-1.0	-45.87	268.05	-0.45	-46.32
CC1=CC=CC(Cl)=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004590082	0	30	-1.0	-39.62	285.15	3.20	-36.42
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CC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004590181	0	29	-1.0	-35.46	268.84	2.98	-32.48
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004590181	1	29	-1.0	-35.45	268.90	2.99	-32.46
CCC1=CC=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)O2)C=C1	REAL250004590182	0	36	-1.0	-39.26	318.14	4.43	-34.83
CCC1=CC=C(C2=CC=C(C(=O)NCC3=NN=N[N-]3)O2)C=C1	REAL250004590182	1	36	-1.0	-39.27	318.20	4.45	-34.82
CC1(C(=O)NCC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL250004590183	0	36	-1.0	-36.02	289.24	3.91	-32.11
CC1(C(=O)NCC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL250004590183	1	36	-1.0	-36.01	289.29	3.93	-32.08
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CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004590186	0	38	-1.0	-38.26	312.72	5.09	-33.17
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CC1=NOC(C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590189	0	31	-1.0	-43.75	279.33	1.42	-42.33
CC1=NOC(C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590189	1	31	-1.0	-43.77	279.27	1.41	-42.36
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CC(C)(C)C(=O)CN1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004590191	0	36	-1.0	-50.12	314.16	0.28	-49.84
CC(C)(C)C(=O)CN1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004590191	1	36	-1.0	-50.11	314.10	0.26	-49.85
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CCOC1=C(F)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590194	0	30	-1.0	-38.89	268.76	2.84	-36.05
CCOC1=C(F)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590194	1	30	-1.0	-38.86	268.82	2.86	-36.00
CN(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004590195	0	33	-1.0	-45.51	291.91	2.72	-42.79
CN(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004590195	1	33	-1.0	-45.45	291.96	2.73	-42.72
CN1C(C(=O)NCC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL250004590196	0	34	-1.0	-38.04	289.34	3.88	-34.16
CN1C(C(=O)NCC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL250004590196	1	34	-1.0	-38.03	289.29	3.87	-34.16
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL250004590197	0	32	-1.0	-39.23	280.39	4.73	-34.50
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL250004590197	1	32	-1.0	-39.22	280.34	4.71	-34.51
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590198	0	32	-1.0	-39.02	280.88	4.46	-34.56
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590198	1	32	-1.0	-39.00	280.83	4.45	-34.55
CC1=NC(SCC(=O)NCC2=N[N-]N=N2)=NN1	REAL250004590199	0	26	-1.0	-41.26	254.86	-0.56	-41.82
CC1=NC(SCC(=O)NCC2=NN=N[N-]2)=NN1	REAL250004590199	1	26	-1.0	-41.28	254.92	-0.55	-41.83
CC(C(=O)NCC1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004590200	0	34	-1.0	-41.50	306.40	1.59	-39.91
CC(C(=O)NCC1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004590200	1	34	-1.0	-41.51	306.46	1.60	-39.91
O=C(NCC1=N[N-]N=N1)C1CC12CCC1=CC=CC=C12	REAL250004590201	0	34	-1.0	-38.59	284.41	4.33	-34.26
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CCC(C)OC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590280	0	36	-1.0	-36.97	301.50	2.92	-34.05
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CC1=CC(O)=CC(=O)N1CCC(=O)NCC1=NN=N[N-]1	REAL250004590284	1	33	-1.0	-44.96	287.66	-1.43	-46.39
CC1=CC(O)=CC(=O)N1CC(=O)NCC1=N[N-]N=N1	REAL250004590285	0	30	-1.0	-46.64	267.60	-1.90	-48.54
CC1=CC(O)=CC(=O)N1CC(=O)NCC1=NN=N[N-]1	REAL250004590285	1	30	-1.0	-46.63	267.66	-1.89	-48.52
CC1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004590286	0	28	-1.0	-41.21	264.87	3.85	-37.36
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CC1=C(C(=O)NCC2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL250004590290	1	31	-1.0	-39.23	265.34	2.19	-37.04
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(F)C=C1F	REAL250004590291	0	26	-1.0	-35.81	242.79	2.03	-33.78
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(F)C=C1F	REAL250004590291	1	26	-1.0	-35.81	242.85	2.04	-33.77
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CC1=C(C(=O)NCC2=N[N-]N=N2)C(=O)OC2=CC=CC=C21	REAL250004590293	0	31	-1.0	-49.05	271.36	3.27	-45.78
CC1=C(C(=O)NCC2=NN=N[N-]2)C(=O)OC2=CC=CC=C21	REAL250004590293	1	31	-1.0	-49.07	271.42	3.29	-45.78
NC(=O)C1=CC=C(OCCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590294	0	34	-1.0	-40.38	300.50	-1.65	-42.03
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CC(CC(=O)NCC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL250004590295	1	34	-1.0	-38.25	299.75	3.13	-35.12
CC1=CC=C2NC=C(CCC(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004590296	0	36	-1.0	-39.49	310.87	3.46	-36.03
CC1=CC=C2NC=C(CCC(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004590296	1	36	-1.0	-39.49	310.92	3.48	-36.01
CC1=NOC(C(F)F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004590297	0	25	-1.0	-37.64	248.10	0.34	-37.30
CC1=NOC(C(F)F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004590297	1	25	-1.0	-37.63	248.16	0.36	-37.27
CCC(OC1=CC=CC=C1Cl)C(=O)NCC1=N[N-]N=N1	REAL250004590298	0	33	-1.0	-39.55	292.85	3.56	-35.99
CCC(OC1=CC=CC=C1Cl)C(=O)NCC1=NN=N[N-]1	REAL250004590298	1	33	-1.0	-39.53	292.91	3.58	-35.95
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004590299	0	33	-1.0	-40.51	294.11	2.46	-38.05
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004590299	1	33	-1.0	-40.48	294.17	2.48	-38.00
O=C(NCC1=N[N-]N=N1)C1=C(Br)C=CO1	REAL250004590300	0	20	-1.0	-37.63	214.44	-0.14	-37.77
O=C(NCC1=NN=N[N-]1)C1=C(Br)C=CO1	REAL250004590300	1	20	-1.0	-37.60	214.50	-0.13	-37.73
CC(C(=O)NCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004590301	0	32	-1.0	-41.54	283.09	3.52	-38.02
CC(C(=O)NCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004590301	1	32	-1.0	-41.54	283.15	3.54	-38.00
NC(=O)C1=CC=CC(OCCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004590302	0	34	-1.0	-43.12	300.58	-1.66	-44.78
NC(=O)C1=CC=CC(OCCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004590302	1	34	-1.0	-43.16	300.63	-1.65	-44.81
CN1C(=O)NC=C(C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004590303	0	26	-1.0	-46.53	238.12	-2.07	-48.60
CN1C(=O)NC=C(C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004590303	1	26	-1.0	-46.48	238.18	-2.05	-48.53
CC1=CC=C(OCCCC(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004590304	0	39	-1.0	-39.38	325.95	3.53	-35.85
CC1=CC=C(OCCCC(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004590304	1	39	-1.0	-39.34	326.01	3.55	-35.79
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL250004590305	0	32	-1.0	-43.99	293.44	-1.77	-45.76
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL250004590305	1	32	-1.0	-43.98	293.38	-1.78	-45.76
CC(C)C1=NN=C(CCC(=O)NCC2=N[N-]N=N2)O1	REAL250004590306	0	33	-1.0	-38.99	291.99	-2.99	-41.98
CC(C)C1=NN=C(CCC(=O)NCC2=NN=N[N-]2)O1	REAL250004590306	1	33	-1.0	-38.98	292.05	-2.97	-41.95
COCCCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590307	0	37	-1.0	-37.77	317.99	1.36	-36.41
COCCCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004590307	1	37	-1.0	-37.76	318.05	1.38	-36.38
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CC1	REAL250004590308	0	33	-1.0	-39.15	289.19	3.89	-35.26
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CC1	REAL250004590308	1	33	-1.0	-39.17	289.25	3.90	-35.27
CC(=O)N1CCC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004590309	0	33	-1.0	-46.03	276.56	0.07	-45.96
CC(=O)N1CCC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004590309	1	33	-1.0	-46.04	276.62	0.08	-45.96
CSCC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004590310	0	30	-1.0	-36.17	282.96	3.16	-33.01
CSCC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004590310	1	30	-1.0	-36.19	283.02	3.17	-33.02
O=C(NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL250004590311	0	25	-1.0	-44.07	254.77	3.61	-40.46
O=C(NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL250004590311	1	25	-1.0	-44.06	254.83	3.62	-40.44
COC1=CC=C(C(C)CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590312	0	36	-1.0	-36.86	300.50	2.45	-34.41
COC1=CC=C(C(C)CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004590312	1	36	-1.0	-36.85	300.56	2.47	-34.38
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004590313	0	30	-1.0	-38.01	285.45	3.61	-34.40
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004590313	1	30	-1.0	-38.02	285.51	3.63	-34.39
N#CCSC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590314	0	28	-1.0	-43.32	272.56	2.85	-40.47
N#CCSC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590314	1	28	-1.0	-43.34	272.62	2.87	-40.47
CCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004590315	0	31	-1.0	-38.21	274.01	3.07	-35.14
CCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004590315	1	31	-1.0	-38.21	274.06	3.08	-35.13
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CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590377	0	35	-1.0	-35.40	303.91	4.07	-31.33
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004590377	1	35	-1.0	-35.32	303.97	4.09	-31.23
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CC1=CC=C(C2=CN=CC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1	REAL250004590384	0	35	-1.0	-37.50	302.39	3.57	-33.93
CC1=CC=C(C2=CN=CC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1	REAL250004590384	1	35	-1.0	-37.53	302.34	3.56	-33.97
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COC1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004590387	0	27	-1.0	-43.82	257.12	0.50	-43.32
COC1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004590387	1	27	-1.0	-43.78	257.18	0.51	-43.27
CCC(CC)N1N=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590388	0	35	-1.0	-35.55	292.12	2.06	-33.49
CCC(CC)N1N=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590388	1	35	-1.0	-35.54	292.06	2.04	-33.50
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COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004590390	0	26	-1.0	-36.55	252.75	0.07	-36.48
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004590390	1	26	-1.0	-36.56	252.81	0.08	-36.48
CC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004590391	0	26	-1.0	-37.83	242.79	2.03	-35.80
CC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004590391	1	26	-1.0	-37.80	242.85	2.04	-35.76
CCOCCC1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004590392	0	36	-1.0	-37.33	298.02	1.29	-36.04
CCOCCC1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004590392	1	36	-1.0	-37.35	298.08	1.31	-36.04
CCCOC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004590393	0	36	-1.0	-38.88	309.04	2.95	-35.93
CCCOC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004590393	1	36	-1.0	-38.88	309.10	2.97	-35.91
COCCCS(=O)(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004590394	0	34	-1.0	-44.94	309.30	-4.81	-49.75
COCCCS(=O)(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004590394	1	34	-1.0	-44.95	309.36	-4.80	-49.75
CCC(CC)N1C=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590395	0	35	-1.0	-41.84	295.83	1.90	-39.94
CCC(CC)N1C=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590395	1	35	-1.0	-41.86	295.77	1.88	-39.98
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=N[N-]N=N1	REAL250004590396	0	36	-1.0	-38.07	303.40	-2.45	-40.52
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=NN=N[N-]1	REAL250004590396	1	36	-1.0	-38.11	303.46	-2.43	-40.54
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CC1=CC=CC(C2=CN=CC(C(=O)NCC3=NN=N[N-]3)=C2)=C1	REAL250004590398	0	35	-1.0	-37.38	302.40	3.56	-33.82
CC1=CC=CC(C2=CN=CC(C(=O)NCC3=N[N-]N=N3)=C2)=C1	REAL250004590398	1	35	-1.0	-37.37	302.34	3.55	-33.82
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CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004590400	0	34	-1.0	-37.36	294.82	0.75	-36.61
CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004590400	1	34	-1.0	-37.37	294.88	0.76	-36.61
CC(C)OC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL250004590401	0	32	-1.0	-36.34	280.99	-0.15	-36.49
CC(C)OC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL250004590401	1	32	-1.0	-36.33	280.93	-0.16	-36.49
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N#CC1=CN=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004590404	1	23	-1.0	-37.05	242.15	0.43	-36.62
CNC(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590405	0	29	-1.0	-38.19	267.71	-2.15	-40.34
CNC(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590405	1	29	-1.0	-38.23	267.66	-2.17	-40.40
CC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004590406	0	29	-1.0	-37.79	271.83	3.02	-34.77
CC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004590406	1	29	-1.0	-37.77	271.89	3.04	-34.73
CCCN1N=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004590407	0	35	-1.0	-39.00	303.17	1.62	-37.38
CCCN1N=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004590407	1	35	-1.0	-39.00	303.23	1.63	-37.37
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CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590411	0	30	-1.0	-39.27	280.17	0.67	-38.60
CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590411	1	30	-1.0	-39.23	280.23	0.68	-38.55
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CC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004590412	1	30	-1.0	-44.11	280.40	0.66	-43.45
O=C(NCC1=N[N-]N=N1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL250004590413	0	31	-1.0	-40.21	275.85	0.52	-39.69
O=C(NCC1=NN=N[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL250004590413	1	31	-1.0	-40.21	275.90	0.53	-39.68
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CCCC(O)(CCC)CC(=O)NCC1=N[N-]N=N1	REAL250004590415	0	38	-1.0	-34.21	297.57	1.18	-33.03
CCCC(O)(CCC)CC(=O)NCC1=NN=N[N-]1	REAL250004590415	1	38	-1.0	-34.21	297.63	1.19	-33.02
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CCOCCS(=O)(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004590418	0	34	-1.0	-42.75	309.66	-4.64	-47.39
CCOCCS(=O)(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004590418	1	34	-1.0	-42.79	309.72	-4.63	-47.42
CCC1=NNC(=O)C(C(=O)NCC2=N[N-]N=N2)=C1CC	REAL250004590419	0	34	-1.0	-45.31	282.51	-0.17	-45.48
CCC1=NNC(=O)C(C(=O)NCC2=NN=N[N-]2)=C1CC	REAL250004590419	1	34	-1.0	-45.30	282.57	-0.16	-45.46
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=N[N-]N=N1	REAL250004590420	0	26	-1.0	-36.92	254.31	2.08	-34.84
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=NN=N[N-]1	REAL250004590420	1	26	-1.0	-36.91	254.36	2.10	-34.81
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004590421	0	26	-1.0	-34.82	246.97	2.34	-32.48
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004590421	1	26	-1.0	-34.75	247.03	2.35	-32.40
COC1=CC=CC(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL250004590422	0	31	-1.0	-45.62	273.69	-0.21	-45.83
COC1=CC=CC(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL250004590422	1	31	-1.0	-45.61	273.74	-0.19	-45.80
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O=C(NCC1=N[N-]N=N1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL250004590423	1	29	-1.0	-37.44	276.60	2.33	-35.11
COC1=CC=C(OCC(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004590424	0	34	-1.0	-39.32	294.66	1.85	-37.47
COC1=CC=C(OCC(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004590424	1	34	-1.0	-39.27	294.72	1.86	-37.41
CCC(OC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590425	0	39	-1.0	-36.42	312.31	3.48	-32.94
CCC(OC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590425	1	39	-1.0	-36.46	312.37	3.49	-32.97
COCCC1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004590426	0	36	-1.0	-37.57	288.65	1.05	-36.52
COCCC1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004590426	1	36	-1.0	-37.58	288.71	1.07	-36.51
CC(C)C1=NN=C(C=CC(=O)NCC2=N[N-]N=N2)O1	REAL250004590427	0	31	-1.0	-38.35	283.54	-3.09	-41.44
CC(C)C1=NN=C(C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004590427	1	31	-1.0	-38.37	283.59	-3.07	-41.44
O=C(NCC1=NN=N[N-]1)C1=CC=C2SC=CC2=C1	REAL250004590428	0	26	-1.0	-36.64	248.47	2.61	-34.03
O=C(NCC1=N[N-]N=N1)C1=CC=C2SC=CC2=C1	REAL250004590428	1	26	-1.0	-36.64	248.42	2.60	-34.04
CC(OC1CCCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590429	0	39	-1.0	-37.23	304.54	3.13	-34.10
CC(OC1CCCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590429	1	39	-1.0	-37.19	304.60	3.15	-34.04
O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=N[N-]N=N1	REAL250004590430	0	37	-1.0	-38.89	315.06	-1.70	-40.59
O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=NN=N[N-]1	REAL250004590430	1	37	-1.0	-38.86	315.12	-1.69	-40.55
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=N[N-]N=N1	REAL250004590431	0	42	-1.0	-38.59	338.95	0.21	-38.38
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NN=N[N-]1	REAL250004590431	1	42	-1.0	-38.65	339.01	0.23	-38.42
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CN(C)CC1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004590460	0	30	-1.0	-38.35	267.45	-1.85	-40.20
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CCOC1=CC(C=CC(=O)NCC2=N[N-]N=N2)=CC=C1O	REAL250004590467	0	35	-1.0	-39.06	308.14	0.52	-38.54
CCOC1=CC(C=CC(=O)NCC2=NN=N[N-]2)=CC=C1O	REAL250004590467	1	35	-1.0	-39.05	308.20	0.53	-38.52
CC(C)CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C1CC1	REAL250004590468	0	39	-1.0	-39.03	316.33	2.81	-36.22
CC(C)CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C1CC1	REAL250004590468	1	39	-1.0	-39.04	316.39	2.83	-36.21
COC1=CC(C=CC(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004590469	0	31	-1.0	-38.23	281.79	1.82	-36.41
COC1=CC(C=CC(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004590469	1	31	-1.0	-38.21	281.85	1.83	-36.38
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COC(=O)C1=CN=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590471	0	27	-1.0	-36.05	259.45	-1.71	-37.76
COC(=O)C1=CN=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590471	1	27	-1.0	-36.04	259.39	-1.72	-37.76
CC1(CCC(=O)NCC2=N[N-]N=N2)CCC(=O)N1	REAL250004590472	0	33	-1.0	-41.50	276.40	-1.04	-42.54
CC1(CCC(=O)NCC2=NN=N[N-]2)CCC(=O)N1	REAL250004590472	1	33	-1.0	-41.48	276.46	-1.03	-42.51
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CC(C)[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004590477	0	38	-1.0	-35.12	293.25	3.22	-31.90
CC(C)[C@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004590477	1	38	-1.0	-35.10	293.30	3.24	-31.86
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CC(=CC1=CC=CC(Cl)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590479	0	30	-1.0	-36.64	275.48	3.52	-33.12
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CC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004590482	1	26	-1.0	-38.34	242.87	2.35	-35.99
CCC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004590483	0	31	-1.0	-36.95	279.14	2.62	-34.33
CCC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004590483	1	31	-1.0	-36.98	279.20	2.63	-34.35
CC1(C)OCC(C)(C(=O)NCC2=N[N-]N=N2)CO1	REAL250004590484	0	34	-1.0	-41.04	272.02	0.24	-40.80
CC1(C)OCC(C)(C(=O)NCC2=NN=N[N-]2)CO1	REAL250004590484	1	34	-1.0	-41.04	272.08	0.25	-40.79
CCC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004590485	0	38	-1.0	-36.55	301.90	4.03	-32.52
CCC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004590485	1	38	-1.0	-36.53	301.96	4.04	-32.49
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CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004590489	0	33	-1.0	-39.28	294.94	2.35	-36.93
CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004590489	1	33	-1.0	-39.26	294.89	2.34	-36.92
CC(=O)C1=C(C)NC(C(=O)NCC2=N[N-]N=N2)=C1C(C)C	REAL250004590490	0	38	-1.0	-39.71	313.91	1.90	-37.81
CC(=O)C1=C(C)NC(C(=O)NCC2=NN=N[N-]2)=C1C(C)C	REAL250004590490	1	38	-1.0	-39.67	313.97	1.91	-37.76
CC1=CN(CC2=CC(C(=O)NCC3=N[N-]N=N3)=NO2)N=C1	REAL250004590491	0	32	-1.0	-43.60	296.45	1.02	-42.58
CC1=CN(CC2=CC(C(=O)NCC3=NN=N[N-]3)=NO2)N=C1	REAL250004590491	1	32	-1.0	-43.57	296.51	1.03	-42.54
CNS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CO1	REAL250004590492	0	28	-1.0	-41.74	273.96	-4.56	-46.30
CNS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CO1	REAL250004590492	1	28	-1.0	-41.75	274.02	-4.54	-46.29
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004590493	0	32	-1.0	-47.35	288.35	3.11	-44.24
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004590493	1	32	-1.0	-47.30	288.40	3.12	-44.18
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=NN2C=C1	REAL250004590494	0	29	-1.0	-43.56	260.37	1.65	-41.91
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=NN2C=C1	REAL250004590494	1	29	-1.0	-43.54	260.31	1.64	-41.90
O=C(NCC1=N[N-]N=N1)C1=NN(CCO)C(=O)CC1	REAL250004590495	0	31	-1.0	-39.06	276.41	-3.99	-43.05
O=C(NCC1=NN=N[N-]1)C1=NN(CCO)C(=O)CC1	REAL250004590495	1	31	-1.0	-39.06	276.47	-3.98	-43.04
COC(=O)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004590496	0	35	-1.0	-42.44	285.46	1.98	-40.46
COC(=O)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004590496	1	35	-1.0	-42.41	285.52	1.99	-40.42
CC(CN1CCOCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590497	1	35	-1.0	-35.76	283.62	-1.51	-37.27
CC(CN1CCOCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590497	1	35	-1.0	-35.78	283.56	-1.53	-37.31
COC(=O)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590498	0	28	-1.0	-37.85	261.55	0.14	-37.71
COC(=O)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590498	1	28	-1.0	-37.86	261.49	0.12	-37.74
CN(C)S(=O)(=O)CCC(=O)NCC1=N[N-]N=N1	REAL250004590499	0	30	-1.0	-41.00	274.14	-2.97	-43.97
CN(C)S(=O)(=O)CCC(=O)NCC1=NN=N[N-]1	REAL250004590499	1	30	-1.0	-40.99	274.20	-2.95	-43.94
O=C(CCC(=O)N1CCC(O)CC1)NCC1=N[N-]N=N1	REAL250004590500	0	37	-1.0	-40.63	306.00	-2.09	-42.72
O=C(CCC(=O)N1CCC(O)CC1)NCC1=NN=N[N-]1	REAL250004590500	1	37	-1.0	-40.62	306.05	-2.08	-42.70
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590501	0	25	-1.0	-46.78	241.03	0.66	-46.12
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590501	1	25	-1.0	-46.79	240.98	0.64	-46.15
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C=C1O	REAL250004590503	0	24	-1.0	-36.09	241.68	0.41	-35.68
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C=C1O	REAL250004590503	1	24	-1.0	-36.09	241.74	0.42	-35.67
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=C1O)OCO2	REAL250004590504	0	27	-1.0	-38.77	246.42	-1.55	-40.32
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=C1O)OCO2	REAL250004590504	1	27	-1.0	-38.78	246.48	-1.53	-40.31
CC(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(O)=C1	REAL250004590505	0	33	-1.0	-38.36	280.53	1.70	-36.66
CC(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(O)=C1	REAL250004590505	1	33	-1.0	-38.32	280.58	1.71	-36.61
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Br)=N1	REAL250004590506	0	25	-1.0	-37.60	244.59	0.60	-37.00
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Br)=N1	REAL250004590506	1	25	-1.0	-37.63	244.65	0.61	-37.02
CCCCS(=O)(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004590507	0	33	-1.0	-43.05	297.13	-3.10	-46.15
CCCCS(=O)(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004590507	1	33	-1.0	-43.04	297.19	-3.09	-46.13
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004590508	0	29	-1.0	-40.59	264.97	1.10	-39.49
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004590508	1	29	-1.0	-40.57	264.91	1.09	-39.48
C=CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004590509	0	33	-1.0	-35.95	285.50	3.74	-32.21
C=CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004590509	1	33	-1.0	-35.93	285.55	3.76	-32.17
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=N[N-]N=N1	REAL250004590510	0	35	-1.0	-41.74	303.77	3.14	-38.60
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=NN=N[N-]1	REAL250004590510	1	35	-1.0	-41.72	303.83	3.15	-38.57
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Br)=C1	REAL250004590511	0	26	-1.0	-37.33	249.23	2.53	-34.80
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Br)=C1	REAL250004590511	1	26	-1.0	-37.34	249.29	2.55	-34.79
CC1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004590512	0	26	-1.0	-42.22	248.14	1.83	-40.39
CC1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004590512	1	26	-1.0	-42.21	248.19	1.84	-40.37
O=C(NCC1=N[N-]N=N1)C1=C(O)C=CC=C1Cl	REAL250004590513	0	24	-1.0	-40.82	241.79	-1.27	-42.09
O=C(NCC1=NN=N[N-]1)C1=C(O)C=CC=C1Cl	REAL250004590513	1	24	-1.0	-40.82	241.85	-1.26	-42.08
CC(C)C1=CC=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590514	0	33	-1.0	-38.97	280.54	1.70	-37.27
CC(C)C1=CC=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590514	1	33	-1.0	-38.99	280.60	1.71	-37.28
COC1=CC(C)=CC(C(=O)NCC2=N[N-]N=N2)=C1O	REAL250004590515	0	31	-1.0	-40.41	270.99	0.21	-40.20
COC1=CC(C)=CC(C(=O)NCC2=NN=N[N-]2)=C1O	REAL250004590515	1	31	-1.0	-40.38	271.05	0.22	-40.16
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C(C)(C)C)=N1	REAL250004590516	0	35	-1.0	-37.48	285.61	1.38	-36.10
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C(C)(C)C)=N1	REAL250004590516	1	35	-1.0	-37.50	285.55	1.37	-36.13
N#CC1=CC=C(NCC(=O)NCC2=NN=N[N-]2)N=C1	REAL250004590517	0	28	-1.0	-38.65	264.63	-0.28	-38.93
N#CC1=CC=C(NCC(=O)NCC2=N[N-]N=N2)N=C1	REAL250004590517	1	28	-1.0	-38.64	264.57	-0.29	-38.93
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2OCCO2)=C1	REAL250004590518	0	32	-1.0	-39.08	278.86	0.88	-38.20
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2OCCO2)=C1	REAL250004590518	1	32	-1.0	-39.02	278.91	0.90	-38.12
CN(CC(=O)NCC1=N[N-]N=N1)C1CCSC1	REAL250004590519	1	32	-1.0	-36.22	266.33	-0.48	-36.70
CN(CC(=O)NCC1=NN=N[N-]1)C1CCSC1	REAL250004590519	1	32	-1.0	-36.26	266.39	-0.46	-36.72
NC(=O)C1=C2N=CC=C(C(=O)NCC3=NN=N[N-]3)N2N=C1	REAL250004590520	0	29	-1.0	-46.90	268.76	-2.74	-49.64
NC(=O)C1=C2N=CC=C(C(=O)NCC3=N[N-]N=N3)N2N=C1	REAL250004590520	1	29	-1.0	-46.91	268.70	-2.75	-49.66
NS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CO1	REAL250004590521	0	25	-1.0	-42.49	251.54	-5.77	-48.26
NS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CO1	REAL250004590521	1	25	-1.0	-42.51	251.60	-5.75	-48.26
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004590522	0	29	-1.0	-44.80	268.04	2.95	-41.85
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004590522	1	29	-1.0	-44.79	267.98	2.93	-41.86
CC(C)CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C(F)F	REAL250004590523	0	35	-1.0	-38.59	299.05	1.98	-36.61
CC(C)CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C(F)F	REAL250004590523	1	35	-1.0	-38.59	299.11	2.00	-36.59
CC1=CN2C(C(=O)NCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004590524	0	29	-1.0	-41.66	258.47	2.21	-39.45
CC1=CN2C(C(=O)NCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004590524	1	29	-1.0	-41.61	258.41	2.19	-39.42
COC(=O)C1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004590525	0	32	-1.0	-42.84	283.64	2.28	-40.56
COC(=O)C1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004590525	1	32	-1.0	-42.84	283.70	2.30	-40.54
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004590526	0	26	-1.0	-42.08	246.42	-0.15	-42.23
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004590526	1	26	-1.0	-42.06	246.48	-0.14	-42.20
O=C(NCC1=NN=N[N-]1)C1=CC=NC(Cl)=C1F	REAL250004590527	0	22	-1.0	-36.35	227.78	-0.01	-36.36
O=C(NCC1=N[N-]N=N1)C1=CC=NC(Cl)=C1F	REAL250004590527	1	22	-1.0	-36.35	227.72	-0.03	-36.38
CC(OC1=CC=CC(CO)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590528	0	34	-1.0	-41.01	295.35	-0.28	-41.29
CC(OC1=CC=CC(CO)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004590528	1	34	-1.0	-41.01	295.41	-0.26	-41.27
CC1=CC=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004590529	0	29	-1.0	-36.09	260.24	2.41	-33.68
CC1=CC=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004590529	1	29	-1.0	-36.07	260.18	2.39	-33.68
CSCC1=NOC(CCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004590530	0	31	-1.0	-38.69	293.88	-0.62	-39.31
CSCC1=NOC(CCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004590530	1	31	-1.0	-38.68	293.93	-0.61	-39.29
CC(C)(C(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL250004590531	0	38	-1.0	-35.82	282.98	2.98	-32.84
CC(C)(C(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL250004590531	1	38	-1.0	-35.84	283.04	3.00	-32.84
O=C(NCC1=N[N-]N=N1)C1OCCC2=CC=CC=C21	REAL250004590532	0	31	-1.0	-38.27	262.60	1.53	-36.74
O=C(NCC1=NN=N[N-]1)C1OCCC2=CC=CC=C21	REAL250004590532	1	31	-1.0	-38.28	262.65	1.54	-36.74
CS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590533	0	29	-1.0	-46.96	276.77	-1.14	-48.10
CS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590533	1	29	-1.0	-46.95	276.83	-1.12	-48.07
CC1(CCCC(=O)NCC2=N[N-]N=N2)NC(=O)NC1=O	REAL250004590534	0	34	-1.0	-43.43	291.61	-3.72	-47.15
CC1(CCCC(=O)NCC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004590534	1	34	-1.0	-43.43	291.66	-3.70	-47.13
CC(C)OC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590535	0	32	-1.0	-38.77	283.01	-0.03	-38.80
CC(C)OC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590535	1	32	-1.0	-38.81	282.95	-0.05	-38.86
CC1=C(C(=O)NCC2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL250004590536	0	35	-1.0	-42.04	292.96	4.34	-37.70
CC1=C(C(=O)NCC2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL250004590536	1	35	-1.0	-42.05	293.02	4.36	-37.69
COC1=CC=C2NC(C)=C(C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004590537	0	34	-1.0	-45.61	298.36	1.05	-44.56
COC1=CC=C2NC(C)=C(C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004590537	1	34	-1.0	-45.64	298.30	1.03	-44.61
CC1=NN(C)C(=O)C(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004590538	0	31	-1.0	-46.54	264.51	-0.10	-46.64
CC1=NN(C)C(=O)C(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004590538	1	31	-1.0	-46.50	264.56	-0.09	-46.59
CC(C)(C)C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590539	0	35	-1.0	-36.71	271.80	3.39	-33.32
CC(C)(C)C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590539	1	35	-1.0	-36.69	271.85	3.41	-33.28
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL250004590540	0	28	-1.0	-41.51	269.63	2.17	-39.34
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL250004590540	1	28	-1.0	-41.52	269.57	2.15	-39.37
CC(C)C1=NNC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004590541	0	31	-1.0	-36.35	287.34	0.45	-35.90
CC(C)C1=NNC(C(=O)NCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004590541	1	31	-1.0	-36.33	287.39	0.47	-35.86
O=C(NCC1=N[N-]N=N1)C1CCCC2=C1C=CS2	REAL250004590542	0	30	-1.0	-37.02	266.01	2.60	-34.42
O=C(NCC1=NN=N[N-]1)C1CCCC2=C1C=CS2	REAL250004590542	1	30	-1.0	-37.03	266.07	2.61	-34.42
CC(C)C1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004590543	0	28	-1.0	-36.63	262.18	0.47	-36.16
CC(C)C1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004590543	1	28	-1.0	-36.63	262.23	0.48	-36.15
COCCOC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004590544	0	37	-1.0	-41.18	321.17	1.42	-39.76
COCCOC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004590544	1	37	-1.0	-41.20	321.23	1.44	-39.76
CCCCN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004590545	0	35	-1.0	-38.87	296.94	1.89	-36.98
CCCCN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004590545	1	35	-1.0	-38.89	297.00	1.90	-36.99
CC1=C(CC(=O)NCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004590546	0	31	-1.0	-40.58	276.01	2.97	-37.61
CC1=C(CC(=O)NCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004590546	1	31	-1.0	-40.57	276.06	2.98	-37.59
CC1=NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004590547	0	31	-1.0	-39.35	274.30	2.24	-37.11
CC1=NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004590547	1	31	-1.0	-39.35	274.24	2.22	-37.13
O=C(CCCNC(=O)C1=CC=CN=C1)NCC1=NN=N[N-]1	REAL250004590548	0	35	-1.0	-41.79	309.21	-0.58	-42.37
O=C(CCCNC(=O)C1=CC=CN=C1)NCC1=N[N-]N=N1	REAL250004590548	1	35	-1.0	-41.83	309.15	-0.59	-42.42
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CC1=CC=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)S2)O1	REAL250004590811	0	30	-1.0	-37.71	288.21	2.97	-34.74
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CC1(CN2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)COC1	REAL250004590812	0	33	-1.0	-43.90	291.99	-1.50	-45.40
CC1(CN2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)COC1	REAL250004590812	1	33	-1.0	-43.91	291.93	-1.52	-45.43
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CCC1CC(CC(=O)NCC2=NN=N[N-]2)CCO1	REAL250004590814	1	36	-1.0	-35.51	282.58	1.20	-34.31
CC(C)(C)C(Br)C(=O)NCC1=N[N-]N=N1	REAL250004590815	0	28	-1.0	-34.14	248.58	1.12	-33.02
CC(C)(C)C(Br)C(=O)NCC1=NN=N[N-]1	REAL250004590815	1	28	-1.0	-34.11	248.64	1.13	-32.98
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CCCCC(ON=C(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004590822	0	38	-1.0	-38.86	321.05	3.41	-35.45
CCCCC(ON=C(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004590822	1	38	-1.0	-38.88	321.11	3.42	-35.46
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590823	0	36	-1.0	-37.75	302.64	3.18	-34.57
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590823	1	36	-1.0	-37.73	302.58	3.17	-34.56
CC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004590824	0	39	-1.0	-38.74	316.17	2.93	-35.81
CC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004590824	1	39	-1.0	-38.72	316.23	2.95	-35.77
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CN1C=NC(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=N1	REAL250004590827	0	32	-1.0	-42.91	289.68	3.37	-39.54
CN1C=NC(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=N1	REAL250004590827	1	32	-1.0	-42.92	289.62	3.35	-39.57
CC(O)(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004590828	0	33	-1.0	-35.86	276.43	0.97	-34.89
CC(O)(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004590828	1	33	-1.0	-35.87	276.49	0.98	-34.89
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1Br	REAL250004590829	0	23	-1.0	-36.99	234.13	-0.54	-37.53
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1Br	REAL250004590829	1	23	-1.0	-37.00	234.07	-0.56	-37.56
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=N1)OCCC2	REAL250004590830	0	30	-1.0	-39.98	262.45	0.17	-39.81
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=N1)OCCC2	REAL250004590830	1	30	-1.0	-39.97	262.50	0.19	-39.78
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL250004590831	0	27	-1.0	-43.28	258.08	1.90	-41.38
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL250004590831	1	27	-1.0	-43.33	258.14	1.91	-41.42
CC(C)(C)OC(=O)NCCCCC(=O)NCC1=N[N-]N=N1	REAL250004590832	0	42	-1.0	-41.19	345.68	0.26	-40.93
CC(C)(C)OC(=O)NCCCCC(=O)NCC1=NN=N[N-]1	REAL250004590832	1	42	-1.0	-41.18	345.74	0.28	-40.90
CC1=NN(C(C)(C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004590833	0	35	-1.0	-37.83	294.55	1.61	-36.22
CC1=NN(C(C)(C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004590833	1	35	-1.0	-37.85	294.61	1.62	-36.23
CC(C)OC1=CN=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590834	0	31	-1.0	-36.37	277.81	-1.98	-38.35
CC(C)OC1=CN=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590834	1	31	-1.0	-36.37	277.75	-2.00	-38.37
COCCN1C=C(C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004590835	0	33	-1.0	-37.67	289.90	-0.49	-38.16
COCCN1C=C(C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004590835	1	33	-1.0	-37.67	289.95	-0.47	-38.14
O=C(NCC1=N[N-]N=N1)C1CCCCS1(=O)=O	REAL250004590837	0	29	-1.0	-48.02	256.47	-1.69	-49.71
O=C(NCC1=NN=N[N-]1)C1CCCCS1(=O)=O	REAL250004590837	1	29	-1.0	-48.00	256.53	-1.68	-49.68
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C)N2N=CN=C2N1C	REAL250004590838	0	35	-1.0	-38.85	295.49	3.86	-34.99
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C)N2N=CN=C2N1C	REAL250004590838	1	35	-1.0	-38.86	295.43	3.85	-35.01
CC(C(=O)NCC1=N[N-]N=N1)N(C)CC(F)(F)F	REAL250004590839	0	30	-1.0	-36.70	260.52	-1.05	-37.75
CC(C(=O)NCC1=NN=N[N-]1)N(C)CC(F)(F)F	REAL250004590839	1	30	-1.0	-36.71	260.57	-1.03	-37.74
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC2=NNN=C21	REAL250004590840	0	25	-1.0	-38.46	238.60	-1.36	-39.82
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC2=NNN=C21	REAL250004590840	1	25	-1.0	-38.47	238.54	-1.38	-39.85
O=C(NCC1=N[N-]N=N1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004590841	0	34	-1.0	-36.08	293.88	4.40	-31.68
O=C(NCC1=NN=N[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004590841	1	34	-1.0	-36.06	293.94	4.42	-31.64
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004590842	0	31	-1.0	-37.47	280.36	3.13	-34.34
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004590842	1	31	-1.0	-37.48	280.42	3.14	-34.34
COC1=CC=C2CCC(C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004590843	0	34	-1.0	-39.54	286.63	2.31	-37.23
COC1=CC=C2CCC(C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004590843	1	34	-1.0	-39.57	286.67	2.33	-37.24
COC(=O)C12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)C2	REAL250004590844	0	36	-1.0	-39.06	300.44	2.27	-36.79
COC(=O)C12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)C2	REAL250004590844	1	36	-1.0	-39.08	300.49	2.29	-36.79
CCC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004590845	0	41	-1.0	-39.14	335.17	3.25	-35.89
CCC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004590845	1	41	-1.0	-39.16	335.23	3.26	-35.90
O=C(NCC1=NN=N[N-]1)C(F)(F)C1(O)CCCC1	REAL250004590846	0	30	-1.0	-35.20	258.53	-1.04	-36.24
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CCN1C=C([N+](=O)[O-])C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590848	0	28	-1.0	-46.62	262.34	1.50	-45.12
CCN1C=C([N+](=O)[O-])C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590848	1	28	-1.0	-46.64	262.29	1.49	-45.15
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CCCOC1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004590862	1	32	-1.0	-44.70	279.64	1.82	-42.88
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COCCOC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004590863	1	37	-1.0	-40.09	321.23	1.44	-38.65
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COC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004590866	0	33	-1.0	-38.58	273.68	1.73	-36.85
COC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004590866	1	33	-1.0	-38.57	273.74	1.74	-36.83
CCC1=NN(C)C(CC)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004590867	0	38	-1.0	-40.49	321.06	2.16	-38.33
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CCOC1=C(Cl)C=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004590868	1	33	-1.0	-39.70	303.95	2.82	-36.88
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CC1=CN2C=CN=C(C(=O)NCC3=NN=N[N-]3)C2=N1	REAL250004590870	0	28	-1.0	-48.77	257.36	0.85	-47.92
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C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590873	0	30	-1.0	-36.68	278.50	2.94	-33.74
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004590873	1	30	-1.0	-36.67	278.56	2.96	-33.71
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O=C(NCC1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250004590875	0	26	-1.0	-41.27	256.03	0.37	-40.90
O=C(NCC1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL250004590875	1	26	-1.0	-41.29	255.97	0.36	-40.93
CC(=O)NC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004590876	0	33	-1.0	-40.28	278.57	0.97	-39.31
CC(=O)NC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004590876	1	33	-1.0	-40.28	278.63	0.99	-39.29
CC(=O)NC1=CC=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590877	0	33	-1.0	-39.48	284.11	0.80	-38.68
CC(=O)NC1=CC=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590877	1	33	-1.0	-39.45	284.17	0.82	-38.63
CC(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004590878	0	32	-1.0	-35.34	285.37	3.59	-31.75
CC(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004590878	1	32	-1.0	-35.38	285.43	3.60	-31.78
CC1C(=O)CCC(C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004590879	0	37	-1.0	-37.05	283.42	2.02	-35.03
CC1C(=O)CCC(C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004590879	1	37	-1.0	-37.03	283.48	2.04	-34.99
CCCN1C(C(=O)NCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004590880	0	36	-1.0	-37.57	306.00	4.41	-33.16
CCCN1C(C(=O)NCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004590880	1	36	-1.0	-37.58	305.94	4.40	-33.18
O=C(CC1CCC2(CC1)OCCO2)NCC1=N[N-]N=N1	REAL250004590881	0	38	-1.0	-37.79	301.51	1.07	-36.72
O=C(CC1CCC2(CC1)OCCO2)NCC1=NN=N[N-]1	REAL250004590881	1	38	-1.0	-37.80	301.57	1.08	-36.72
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1=CSC=C1	REAL250004590882	0	27	-1.0	-38.76	258.10	0.30	-38.46
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=CSC=C1	REAL250004590882	1	27	-1.0	-38.77	258.04	0.28	-38.49
CC1=CC=C(C2=NNC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1C	REAL250004590883	0	36	-1.0	-36.52	311.44	2.48	-34.04
CC1=CC=C(C2=NNC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1C	REAL250004590883	1	36	-1.0	-36.49	311.50	2.50	-33.99
COC1C2CC3CC1CC(C(=O)NCC1=N[N-]N=N1)(C3)C2	REAL250004590884	0	41	-1.0	-38.34	306.75	2.30	-36.04
COC1C2CC3CC1CC(C(=O)NCC1=NN=N[N-]1)(C3)C2	REAL250004590884	1	41	-1.0	-38.34	306.81	2.31	-36.03
CN1C=C(C2=NN(C)C=C2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590885	0	33	-1.0	-44.30	294.33	0.35	-43.95
CN1C=C(C2=NN(C)C=C2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590885	1	33	-1.0	-44.28	294.27	0.34	-43.94
CC1=C(C)C(C(=O)NCC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004590886	0	36	-1.0	-41.52	313.21	4.21	-37.31
CC1=C(C)C(C(=O)NCC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004590886	1	36	-1.0	-41.52	313.15	4.20	-37.32
CCCC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004590887	0	32	-1.0	-34.60	288.49	3.82	-30.78
CCCC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004590887	1	32	-1.0	-34.59	288.55	3.83	-30.76
CCCCCC(C)(CC)C(=O)NCC1=N[N-]N=N1	REAL250004590888	0	40	-1.0	-36.00	309.25	3.47	-32.53
CCCCCC(C)(CC)C(=O)NCC1=NN=N[N-]1	REAL250004590888	1	40	-1.0	-36.00	309.32	3.48	-32.52
CN1C=C(C2=NNC=C2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590889	0	30	-1.0	-43.43	271.52	-0.95	-44.38
CN1C=C(C2=NNC=C2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590889	1	30	-1.0	-43.40	271.46	-0.97	-44.37
O=C(NCC1=NN=N[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL250004590890	0	29	-1.0	-38.42	257.51	0.49	-37.93
O=C(NCC1=N[N-]N=N1)C1=CNC(=O)C2=CC=CC=C12	REAL250004590890	1	29	-1.0	-38.40	257.45	0.48	-37.92
CN(CC(=O)NCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004590891	0	34	-1.0	-45.17	290.25	-4.02	-49.19
CN(CC(=O)NCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004590891	1	34	-1.0	-45.19	290.30	-4.00	-49.19
COC1=CC=CC(CC(O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590892	0	34	-1.0	-37.70	296.81	-0.05	-37.75
COC1=CC=CC(CC(O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590892	1	34	-1.0	-37.70	296.86	-0.04	-37.74
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004590893	0	37	-1.0	-46.44	306.68	1.29	-45.15
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004590893	1	37	-1.0	-46.44	306.74	1.31	-45.13
NC(=O)C1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004590894	0	33	-1.0	-44.96	273.09	-1.84	-46.80
NC(=O)C1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004590894	1	33	-1.0	-44.98	273.14	-1.83	-46.81
O=C(CCCC1=CC=C(O)C(F)=C1)NCC1=N[N-]N=N1	REAL250004590895	0	33	-1.0	-40.75	296.33	0.74	-40.01
O=C(CCCC1=CC=C(O)C(F)=C1)NCC1=NN=N[N-]1	REAL250004590895	1	33	-1.0	-40.76	296.38	0.75	-40.01
CC1=CC=C(Br)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004590896	0	25	-1.0	-39.76	246.34	0.71	-39.05
CC1=CC=C(Br)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004590896	1	25	-1.0	-39.75	246.28	0.69	-39.06
COC(=O)C1=CC(O)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590897	0	30	-1.0	-40.13	277.34	-0.96	-41.09
COC(=O)C1=CC(O)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590897	1	30	-1.0	-40.11	277.39	-0.94	-41.05
O=C(NCC1=N[N-]N=N1)C1=NOC2=C1CCCCC2	REAL250004590898	0	32	-1.0	-39.16	264.99	1.69	-37.47
O=C(NCC1=NN=N[N-]1)C1=NOC2=C1CCCCC2	REAL250004590898	1	32	-1.0	-39.18	265.05	1.71	-37.47
CC(=O)[C@@H]1C[C@H](C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004590899	0	34	-1.0	-42.33	279.10	1.75	-40.58
CC(=O)[C@@H]1C[C@H](C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004590899	1	34	-1.0	-42.35	279.16	1.76	-40.59
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=NC=C1Cl	REAL250004590900	0	22	-1.0	-33.60	236.38	0.42	-33.18
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=NC=C1Cl	REAL250004590900	1	22	-1.0	-33.61	236.32	0.40	-33.21
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N=NN1	REAL250004590901	0	29	-1.0	-35.49	263.30	-0.13	-35.62
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N=NN1	REAL250004590901	1	29	-1.0	-35.46	263.24	-0.14	-35.60
O=C(NCC1=NN=N[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL250004590901	1	29	-1.0	-37.56	262.64	-0.17	-37.73
O=C(NCC1=N[N-]N=N1)C1=NNN=C1C1=CC=CC=C1	REAL250004590901	1	29	-1.0	-37.55	262.58	-0.19	-37.74
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1N1C=NN=C1	REAL250004590902	0	29	-1.0	-40.88	261.39	2.25	-38.63
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1N1C=NN=C1	REAL250004590902	1	29	-1.0	-40.90	261.34	2.24	-38.66
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=CC=C2F)CC1	REAL250004590903	0	33	-1.0	-43.31	292.64	3.77	-39.54
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250004590903	1	33	-1.0	-43.28	292.70	3.79	-39.49
COC1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1OC	REAL250004590904	0	31	-1.0	-42.68	283.06	0.65	-42.03
COC1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1OC	REAL250004590904	1	31	-1.0	-42.67	283.12	0.66	-42.01
CC1=CC=CC=C1C1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004590905	0	36	-1.0	-36.42	291.87	3.88	-32.54
CC1=CC=CC=C1C1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004590905	1	36	-1.0	-36.42	291.93	3.89	-32.53
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL250004590906	0	32	-1.0	-41.06	286.01	3.32	-37.74
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL250004590906	1	32	-1.0	-41.06	286.07	3.33	-37.73
COCCN1N=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590907	0	30	-1.0	-35.88	267.31	-1.11	-36.99
COCCN1N=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590907	1	30	-1.0	-35.89	267.25	-1.12	-37.01
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004590908	0	29	-1.0	-41.07	275.62	2.09	-38.98
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004590908	1	29	-1.0	-41.11	275.56	2.08	-39.03
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004590909	0	29	-1.0	-38.46	270.84	1.97	-36.49
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004590909	1	29	-1.0	-38.48	270.90	1.99	-36.49
COC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004590910	0	34	-1.0	-40.56	306.43	1.80	-38.76
COC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004590910	1	34	-1.0	-40.54	306.37	1.79	-38.75
CC1=CC2=C(C=C1C)C(C(=O)NCC1=N[N-]N=N1)CO2	REAL250004590911	0	34	-1.0	-39.41	289.05	2.15	-37.26
CC1=CC2=C(C=C1C)C(C(=O)NCC1=NN=N[N-]1)CO2	REAL250004590911	1	34	-1.0	-39.40	289.11	2.16	-37.24
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=N1	REAL250004590912	0	26	-1.0	-41.57	248.10	-0.93	-42.50
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=N1	REAL250004590912	1	26	-1.0	-41.53	248.04	-0.95	-42.48
O=C(NCC1=N[N-]N=N1)C1=CC(O)=CC=C1C(F)(F)F	REAL250004590913	0	27	-1.0	-39.87	252.71	-0.57	-40.44
O=C(NCC1=NN=N[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL250004590913	1	27	-1.0	-39.87	252.77	-0.56	-40.43
COC1=C(C(=O)NCC2=N[N-]N=N2)NC(=O)NC1=O	REAL250004590914	0	27	-1.0	-35.72	250.48	-3.29	-39.01
COC1=C(C(=O)NCC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004590914	1	27	-1.0	-35.76	250.54	-3.28	-39.04
CC1=CC=C(N2C=NN=C2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590915	0	32	-1.0	-43.41	282.27	4.87	-38.54
CC1=CC=C(N2C=NN=C2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590915	1	32	-1.0	-43.40	282.21	4.86	-38.54
O=C(CC1=C2CCCCC2=NN1)NCC1=N[N-]N=N1	REAL250004590916	0	33	-1.0	-39.63	278.82	0.63	-39.00
O=C(CC1=C2CCCCC2=NN1)NCC1=NN=N[N-]1	REAL250004590916	1	33	-1.0	-39.61	278.88	0.64	-38.97
O=C(CC1=NNC2=C1CCCC2)NCC1=N[N-]N=N1	REAL250004590916	1	33	-1.0	-41.41	278.85	0.62	-40.79
O=C(CC1=NNC2=C1CCCC2)NCC1=NN=N[N-]1	REAL250004590916	1	33	-1.0	-41.40	278.92	0.63	-40.77
O=C(NCC1=NN=N[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004590917	0	29	-1.0	-34.81	270.35	1.90	-32.91
O=C(NCC1=N[N-]N=N1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004590917	1	29	-1.0	-34.83	270.30	1.89	-32.94
CC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)N=C1C	REAL250004590918	0	33	-1.0	-34.15	279.80	1.19	-32.96
CC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)N=C1C	REAL250004590918	1	33	-1.0	-34.16	279.85	1.20	-32.96
O=C(NCC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004590919	0	33	-1.0	-44.26	298.54	2.89	-41.37
O=C(NCC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004590919	1	33	-1.0	-44.22	298.48	2.88	-41.34
COCCN1C=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004590920	0	30	-1.0	-41.78	272.22	-1.07	-42.85
COCCN1C=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004590920	1	30	-1.0	-41.77	272.17	-1.08	-42.85
C=CCSC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004590921	0	31	-1.0	-39.61	281.56	3.65	-35.96
C=CCSC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004590921	1	31	-1.0	-39.62	281.61	3.67	-35.95
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004590922	0	33	-1.0	-39.33	295.37	3.95	-35.38
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004590922	1	33	-1.0	-39.32	295.42	3.96	-35.36
O=C(CCCCN1CCOCC1)NCC1=N[N-]N=N1	REAL250004590923	0	38	-1.0	-37.20	307.51	-1.01	-38.21
O=C(CCCCN1CCOCC1)NCC1=NN=N[N-]1	REAL250004590923	1	38	-1.0	-37.21	307.57	-1.00	-38.21
CS(=O)C1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004590924	0	31	-1.0	-49.69	277.81	1.13	-48.56
CS(=O)C1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004590924	1	31	-1.0	-49.67	277.87	1.15	-48.52
CSC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004590925	0	29	-1.0	-48.04	278.09	4.13	-43.91
CSC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004590925	1	29	-1.0	-48.02	278.15	4.15	-43.87
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004590926	0	26	-1.0	-34.59	255.81	2.31	-32.28
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004590926	1	26	-1.0	-34.58	255.87	2.32	-32.26
CC(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004590927	0	34	-1.0	-37.39	296.55	3.73	-33.66
CC(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004590927	1	34	-1.0	-37.41	296.61	3.75	-33.66
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004590928	0	33	-1.0	-39.77	299.07	4.17	-35.60
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004590928	1	33	-1.0	-39.77	299.13	4.18	-35.59
O=C(CC1=CC2=NNC=C2C=C1)NCC1=N[N-]N=N1	REAL250004590929	0	29	-1.0	-45.15	262.44	0.64	-44.51
O=C(CC1=CC2=NNC=C2C=C1)NCC1=NN=N[N-]1	REAL250004590929	1	29	-1.0	-45.17	262.49	0.65	-44.52
O=C(NCC1=N[N-]N=N1)C1COCCN1C1CCCC1	REAL250004590930	0	39	-1.0	-36.40	299.57	-0.92	-37.32
O=C(NCC1=NN=N[N-]1)C1COCCN1C1CCCC1	REAL250004590930	1	39	-1.0	-36.40	299.63	-0.90	-37.30
O=C(NCC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL250004590931	0	22	-1.0	-39.20	239.86	-0.65	-39.85
O=C(NCC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL250004590931	1	22	-1.0	-39.19	239.81	-0.66	-39.85
CN(C)C1=CC=CC(CCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004590932	0	37	-1.0	-37.18	308.70	3.11	-34.07
CN(C)C1=CC=CC(CCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004590932	1	37	-1.0	-37.17	308.76	3.13	-34.04
CN1N=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004590933	0	25	-1.0	-34.60	242.34	0.67	-33.93
CN1N=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004590933	1	25	-1.0	-34.62	242.28	0.66	-33.96
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004590934	0	39	-1.0	-35.08	313.80	-0.52	-35.60
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004590934	1	39	-1.0	-35.11	313.85	-0.51	-35.62
CC(C(=O)NCC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004590935	0	36	-1.0	-39.31	308.47	4.26	-35.05
CC(C(=O)NCC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004590935	1	36	-1.0	-39.31	308.53	4.28	-35.03
COC1=CC(C)=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004590936	0	30	-1.0	-37.26	273.03	1.80	-35.46
COC1=CC(C)=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004590936	1	30	-1.0	-37.29	273.09	1.81	-35.48
CCCCN1C=C(C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004590937	0	35	-1.0	-37.90	299.21	1.99	-35.91
CCCCN1C=C(C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004590937	1	35	-1.0	-37.94	299.27	2.01	-35.93
CN1N=C2C=CC=CC2=C1C(=O)NCC1=NN=N[N-]1	REAL250004590938	0	29	-1.0	-38.36	263.50	1.09	-37.27
CN1N=C2C=CC=CC2=C1C(=O)NCC1=N[N-]N=N1	REAL250004590938	1	29	-1.0	-38.33	263.45	1.07	-37.26
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCC1=NN=N[N-]1	REAL250004590939	0	33	-1.0	-41.42	293.65	3.46	-37.96
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCC1=N[N-]N=N1	REAL250004590939	1	33	-1.0	-41.38	293.59	3.45	-37.93
CC1=C(C(=O)NCC2=N[N-]N=N2)OC(CC2CC2)=N1	REAL250004590940	0	32	-1.0	-36.20	283.63	-0.39	-36.59
CC1=C(C(=O)NCC2=NN=N[N-]2)OC(CC2CC2)=N1	REAL250004590940	1	32	-1.0	-36.22	283.69	-0.37	-36.59
O=C(NCC1=N[N-]N=N1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250004590941	0	25	-1.0	-45.95	242.56	-0.21	-46.16
O=C(NCC1=NN=N[N-]1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250004590941	1	25	-1.0	-45.98	242.62	-0.19	-46.17
CC(C)(C)C1=CN=C(CCC(=O)NCC2=N[N-]N=N2)O1	REAL250004590942	0	37	-1.0	-37.81	316.07	0.19	-37.62
CC(C)(C)C1=CN=C(CCC(=O)NCC2=NN=N[N-]2)O1	REAL250004590942	1	37	-1.0	-37.84	316.13	0.20	-37.64
O=C(NCC1=N[N-]N=N1)C1=NNC2=C1CCCCC2	REAL250004590943	0	33	-1.0	-41.05	268.70	0.52	-40.53
O=C(NCC1=NN=N[N-]1)C1=NNC2=C1CCCCC2	REAL250004590943	1	33	-1.0	-41.03	268.76	0.53	-40.50
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(CC2CC2)=N1	REAL250004590944	0	32	-1.0	-35.66	290.78	2.03	-33.63
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(CC2CC2)=N1	REAL250004590944	1	32	-1.0	-35.70	290.83	2.04	-33.66
CC1=C(C)C=C2C(C(=O)NCC3=N[N-]N=N3)=COC2=C1	REAL250004590945	0	32	-1.0	-39.92	279.25	2.80	-37.12
CC1=C(C)C=C2C(C(=O)NCC3=NN=N[N-]3)=COC2=C1	REAL250004590945	1	32	-1.0	-39.90	279.31	2.81	-37.09
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004590946	0	27	-1.0	-37.90	266.28	0.29	-37.61
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004590946	1	27	-1.0	-37.92	266.34	0.30	-37.62
COCC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004590947	0	33	-1.0	-38.29	291.25	1.65	-36.64
COCC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004590947	1	33	-1.0	-38.28	291.31	1.66	-36.62
C=CCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004590948	0	33	-1.0	-36.55	287.43	3.62	-32.93
C=CCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004590948	1	33	-1.0	-36.55	287.49	3.64	-32.91
COC1=NC=C(C=CC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590949	0	29	-1.0	-39.53	268.00	-2.84	-42.37
COC1=NC=C(C=CC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590949	1	29	-1.0	-39.53	268.06	-2.83	-42.36
O=C(CCC1=CC=CC2=C1OCO2)NCC1=N[N-]N=N1	REAL250004590950	0	32	-1.0	-39.82	283.65	1.38	-38.44
O=C(CCC1=CC=CC2=C1OCO2)NCC1=NN=N[N-]1	REAL250004590950	1	32	-1.0	-39.80	283.70	1.40	-38.40
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004590951	0	30	-1.0	-40.91	284.20	-4.49	-45.40
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004590951	1	30	-1.0	-40.91	284.14	-4.50	-45.41
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004590952	0	26	-1.0	-36.59	251.44	1.27	-35.32
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004590952	1	26	-1.0	-36.57	251.50	1.29	-35.28
CCSCC1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004590953	0	29	-1.0	-39.24	278.39	1.44	-37.80
CCSCC1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004590953	1	29	-1.0	-39.24	278.45	1.45	-37.79
O=C(NCC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL250004590954	0	24	-1.0	-33.06	242.31	-0.33	-33.39
O=C(NCC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)N=C1	REAL250004590954	1	24	-1.0	-33.01	242.25	-0.35	-33.36
CN(C)C1=NOC(CCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004590955	0	32	-1.0	-38.97	285.71	0.56	-38.41
CN(C)C1=NOC(CCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004590955	1	32	-1.0	-38.96	285.77	0.57	-38.39
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=CC(F)=C2)CCC1	REAL250004590956	0	36	-1.0	-42.64	307.80	4.40	-38.24
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL250004590956	1	36	-1.0	-42.60	307.85	4.43	-38.17
CC(C)(C)OCC1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004590957	0	35	-1.0	-38.85	302.02	0.50	-38.35
CC(C)(C)OCC1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004590957	1	35	-1.0	-38.81	302.08	0.52	-38.29
C[C@H](OCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004590958	0	33	-1.0	-39.30	290.45	3.01	-36.29
C[C@H](OCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004590958	1	33	-1.0	-39.31	290.50	3.03	-36.28
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004590959	0	31	-1.0	-40.78	280.22	2.77	-38.01
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004590959	1	31	-1.0	-40.79	280.16	2.75	-38.04
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC(C2CC2)=C1	REAL250004590960	0	30	-1.0	-38.91	266.20	0.39	-38.52
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CC(O)(CCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591017	1	36	-1.0	-36.61	304.94	0.86	-35.75
COC1=C(C(=O)NCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004591018	0	29	-1.0	-39.79	264.55	2.88	-36.91
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O=C(NCC1=NN=N[N-]1)C1CCN(CC(F)F)CC1	REAL250004591028	1	34	-1.0	-38.10	275.33	-0.45	-38.55
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CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NCC1=NN=N[N-]1	REAL250004591032	1	34	-1.0	-45.44	298.45	2.30	-43.14
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CC(C)N1N=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004591034	0	31	-1.0	-39.27	268.57	-0.41	-39.68
CC(C)N1N=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004591034	1	31	-1.0	-39.26	268.51	-0.42	-39.68
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CC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(C2CC2)=N1	REAL250004591051	1	31	-1.0	-35.43	270.64	1.56	-33.87
CC1=CC=C2C(C(=O)NCC3=NN=N[N-]3)=CSC2=C1	REAL250004591052	0	29	-1.0	-38.36	267.39	3.23	-35.13
CC1=CC=C2C(C(=O)NCC3=N[N-]N=N3)=CSC2=C1	REAL250004591052	1	29	-1.0	-38.35	267.33	3.22	-35.13
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CC1=C(Cl)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591054	0	26	-1.0	-35.28	241.47	2.34	-32.94
CC1=C(Cl)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591054	1	26	-1.0	-35.29	241.53	2.36	-32.93
CC1=CC(=O)N(CC(C)(O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591055	0	36	-1.0	-43.91	305.21	-0.36	-44.27
CC1=CC(=O)N(CC(C)(O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591055	1	36	-1.0	-43.90	305.26	-0.35	-44.25
NC1=NC=CC(C(=O)NCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004591056	0	26	-1.0	-41.03	248.22	-0.04	-41.07
NC1=NC=CC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004591056	1	26	-1.0	-41.00	248.16	-0.05	-41.05
CC(C)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591058	0	33	-1.0	-37.97	281.79	0.59	-37.38
CC(C)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591058	1	33	-1.0	-37.96	281.84	0.61	-37.35
CN1CC(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004591059	0	34	-1.0	-42.29	291.10	1.96	-40.33
CN1CC(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004591059	1	34	-1.0	-42.31	291.15	1.97	-40.34
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O=C(NCC1=N[N-]N=N1)C1=CNC=C1C1=CC=CC=C1F	REAL250004591060	1	31	-1.0	-45.78	283.86	2.83	-42.95
CCCCCCCCCC(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591061	0	49	-1.0	-35.21	383.12	6.40	-28.81
CCCCCCCCCC(C)CC(=O)NCC1=NN=N[N-]1	REAL250004591061	1	49	-1.0	-35.21	383.17	6.41	-28.80
CC(CC(=O)NCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004591062	0	36	-1.0	-39.45	305.60	3.30	-36.15
CC(CC(=O)NCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004591062	1	36	-1.0	-39.43	305.65	3.31	-36.12
O=C(NCC1=NN=N[N-]1)C1=CC(O)=C2C=CSC2=C1	REAL250004591063	0	27	-1.0	-38.13	259.36	-0.23	-38.36
O=C(NCC1=N[N-]N=N1)C1=CC(O)=C2C=CSC2=C1	REAL250004591063	1	27	-1.0	-38.13	259.30	-0.24	-38.37
O=C(NCC1=NN=N[N-]1)C1=NC2=CC=CN=C2S1	REAL250004591064	0	24	-1.0	-41.46	241.02	-1.20	-42.66
O=C(NCC1=N[N-]N=N1)C1=NC2=CC=CN=C2S1	REAL250004591064	1	24	-1.0	-41.43	240.96	-1.21	-42.64
NC1=C(Cl)C=CC(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004591065	0	25	-1.0	-35.34	251.14	0.27	-35.07
NC1=C(Cl)C=CC(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004591065	1	25	-1.0	-35.37	251.20	0.28	-35.09
O=C(NCC1=N[N-]N=N1)C1=CC=C(NCC2CC2)N=C1	REAL250004591066	0	34	-1.0	-37.75	294.32	1.48	-36.27
O=C(NCC1=NN=N[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL250004591066	1	34	-1.0	-37.75	294.38	1.50	-36.25
CN1C=C2C(=N1)CCCC2C(=O)NCC1=N[N-]N=N1	REAL250004591067	0	33	-1.0	-37.46	273.82	1.50	-35.96
CN1C=C2C(=N1)CCCC2C(=O)NCC1=NN=N[N-]1	REAL250004591067	1	33	-1.0	-37.40	273.88	1.52	-35.88
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C2CC2)=N1	REAL250004591068	0	29	-1.0	-36.11	268.88	1.39	-34.72
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C2CC2)=N1	REAL250004591068	1	29	-1.0	-36.11	268.93	1.40	-34.71
CC1=NC2=C(CCCC2C(=O)NCC2=N[N-]N=N2)S1	REAL250004591069	0	32	-1.0	-40.80	280.66	2.00	-38.80
CC1=NC2=C(CCCC2C(=O)NCC2=NN=N[N-]2)S1	REAL250004591069	1	32	-1.0	-40.80	280.71	2.01	-38.79
O=C(CC1CC(C2=CC=CC=C2)C1)NCC1=N[N-]N=N1	REAL250004591070	0	36	-1.0	-36.85	300.91	4.51	-32.34
O=C(CC1CC(C2=CC=CC=C2)C1)NCC1=NN=N[N-]1	REAL250004591070	1	36	-1.0	-36.84	300.97	4.52	-32.32
O=C(CCCC1CCOCC1)NCC1=N[N-]N=N1	REAL250004591071	0	36	-1.0	-36.63	291.00	1.29	-35.34
O=C(CCCC1CCOCC1)NCC1=NN=N[N-]1	REAL250004591071	1	36	-1.0	-36.61	291.06	1.30	-35.31
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2CCC2)=C1	REAL250004591072	0	33	-1.0	-37.16	277.29	3.82	-33.34
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2CCC2)=C1	REAL250004591072	1	33	-1.0	-37.20	277.34	3.83	-33.37
CSC1=C(F)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591073	0	27	-1.0	-38.10	257.33	2.39	-35.71
CSC1=C(F)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591073	1	27	-1.0	-38.05	257.39	2.40	-35.65
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1CC1=CC=CC=C1	REAL250004591074	0	36	-1.0	-40.76	304.51	3.01	-37.75
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1CC1=CC=CC=C1	REAL250004591074	1	36	-1.0	-40.75	304.56	3.03	-37.72
COC(C(=O)NCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004591075	0	30	-1.0	-40.64	272.10	-0.17	-40.81
COC(C(=O)NCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004591075	1	30	-1.0	-40.69	272.05	-0.18	-40.87
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CC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1C	REAL250004591077	1	31	-1.0	-36.32	270.24	2.43	-33.89
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COC1=CC(CC(=O)NCC2=NN=N[N-]2)=CC(OC)=C1O	REAL250004591078	1	35	-1.0	-41.68	305.72	-1.05	-42.73
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COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1OCCO	REAL250004591083	0	35	-1.0	-41.06	303.41	-1.71	-42.77
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1OCCO	REAL250004591083	1	35	-1.0	-41.04	303.46	-1.69	-42.73
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CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2=COC=C2)=N1	REAL250004591085	0	30	-1.0	-41.03	272.80	0.69	-40.34
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2=COC=C2)=N1	REAL250004591085	1	30	-1.0	-41.00	272.74	0.68	-40.32
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CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(S(N)(=O)=O)O1	REAL250004591089	0	28	-1.0	-41.83	269.82	-4.97	-46.80
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(S(N)(=O)=O)O1	REAL250004591089	1	28	-1.0	-41.82	269.88	-4.96	-46.78
CC(C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004591090	0	34	-1.0	-38.19	286.67	1.71	-36.48
CC(C)C(C(=O)NCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004591090	1	34	-1.0	-38.13	286.62	1.69	-36.44
CC1=CC(OCC(=O)NCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004591091	0	32	-1.0	-39.46	289.29	3.00	-36.46
CC1=CC(OCC(=O)NCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004591091	1	32	-1.0	-39.46	289.35	3.02	-36.44
CC1C(C(=O)NCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004591092	0	33	-1.0	-36.98	277.54	3.84	-33.14
CC1C(C(=O)NCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004591092	1	33	-1.0	-36.94	277.60	3.86	-33.08
CC1=CC=CN=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004591093	0	28	-1.0	-40.24	255.07	1.43	-38.81
CC1=CC=CN=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004591093	1	28	-1.0	-40.21	255.01	1.41	-38.80
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COC(=O)[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004591098	0	35	-1.0	-37.50	292.00	2.13	-35.37
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CC1=NC(CN2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)=NO1	REAL250004591100	0	30	-1.0	-46.18	285.67	-3.09	-49.27
CC1=NC(CN2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)=NO1	REAL250004591100	1	30	-1.0	-46.18	285.73	-3.07	-49.25
CCSC1=NC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004591101	0	28	-1.0	-40.54	263.56	-0.20	-40.74
CCSC1=NC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004591101	1	28	-1.0	-40.57	263.50	-0.21	-40.78
O=C(NCC1=NN=N[N-]1)C1=NN(CC(F)F)C=C1	REAL250004591102	0	26	-1.0	-45.94	250.45	0.21	-45.73
O=C(NCC1=N[N-]N=N1)C1=NN(CC(F)F)C=C1	REAL250004591102	1	26	-1.0	-45.94	250.40	0.19	-45.75
O=C(CC1=CC=CN=C1Br)NCC1=NN=N[N-]1	REAL250004591103	0	25	-1.0	-40.20	249.00	0.53	-39.67
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CC(C(=O)NCC1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL250004591104	0	35	-1.0	-41.61	301.29	3.06	-38.55
CC(C(=O)NCC1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL250004591104	1	35	-1.0	-41.59	301.35	3.07	-38.52
CN1N=CC2=C1N(C)C=C(C(=O)NCC1=NN=N[N-]1)C2=O	REAL250004591105	0	32	-1.0	-55.89	277.87	1.24	-54.65
COC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004591106	0	29	-1.0	-48.46	268.01	2.40	-46.06
COC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004591106	1	29	-1.0	-48.44	268.07	2.41	-46.03
CN1C=C(C(=O)NCC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004591107	0	30	-1.0	-43.75	272.66	2.99	-40.76
CN1C=C(C(=O)NCC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004591107	1	30	-1.0	-43.72	272.60	2.97	-40.75
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591108	0	34	-1.0	-39.24	292.38	2.43	-36.81
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591108	1	34	-1.0	-39.24	292.32	2.41	-36.83
CC(C)(C(=O)NCC1=N[N-]N=N1)C1CCOCC1	REAL250004591109	0	36	-1.0	-35.93	273.96	0.59	-35.34
CC(C)(C(=O)NCC1=NN=N[N-]1)C1CCOCC1	REAL250004591109	1	36	-1.0	-35.93	274.02	0.60	-35.33
O=C(NCC1=NN=N[N-]1)C1=NC(C2=CC=CC=C2)=CS1	REAL250004591110	0	29	-1.0	-40.19	277.15	1.96	-38.23
O=C(NCC1=N[N-]N=N1)C1=NC(C2=CC=CC=C2)=CS1	REAL250004591110	1	29	-1.0	-40.21	277.10	1.95	-38.26
CCC1=CSC(CC(=O)NCC2=N[N-]N=N2)=N1	REAL250004591111	0	28	-1.0	-38.99	263.92	0.40	-38.59
CCC1=CSC(CC(=O)NCC2=NN=N[N-]2)=N1	REAL250004591111	1	28	-1.0	-38.97	263.98	0.41	-38.56
CN1N=CC2=C1CC(C(=O)NCC1=N[N-]N=N1)CC2	REAL250004591112	0	33	-1.0	-37.22	276.63	1.29	-35.93
CN1N=CC2=C1CC(C(=O)NCC1=NN=N[N-]1)CC2	REAL250004591112	1	33	-1.0	-37.27	276.69	1.30	-35.97
CS(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591113	0	31	-1.0	-48.44	288.40	0.52	-47.92
CS(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591113	1	31	-1.0	-48.42	288.46	0.53	-47.89
CCN1C=C(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004591114	0	29	-1.0	-39.90	272.54	0.87	-39.03
CCN1C=C(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004591114	1	29	-1.0	-39.90	272.48	0.85	-39.05
O=C(NCC1=N[N-]N=N1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL250004591115	0	30	-1.0	-36.39	270.52	3.34	-33.05
O=C(NCC1=NN=N[N-]1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL250004591115	1	30	-1.0	-36.38	270.57	3.36	-33.02
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004591116	0	33	-1.0	-42.82	294.84	4.50	-38.32
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004591116	1	33	-1.0	-42.82	294.90	4.52	-38.30
O=C(NCC1=NN=N[N-]1)C1=NC2=NC=CN=C2C=C1	REAL250004591117	0	26	-1.0	-45.32	244.93	-1.17	-46.49
O=C(NCC1=N[N-]N=N1)C1=NC2=NC=CN=C2C=C1	REAL250004591117	1	26	-1.0	-45.35	244.88	-1.19	-46.54
CC1=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2O1	REAL250004591118	0	28	-1.0	-39.58	255.13	-1.09	-40.67
CC1=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2O1	REAL250004591118	1	28	-1.0	-39.61	255.19	-1.08	-40.69
O=C(NCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N=N1	REAL250004591119	0	26	-1.0	-46.14	245.88	-0.45	-46.59
O=C(NCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N=N1	REAL250004591119	1	26	-1.0	-46.15	245.82	-0.46	-46.61
CC1=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C2O1	REAL250004591120	0	28	-1.0	-45.61	254.81	-0.86	-46.47
CC1=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C2O1	REAL250004591120	1	28	-1.0	-45.58	254.75	-0.87	-46.45
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NCC1=N[N-]N=N1	REAL250004591121	0	32	-1.0	-52.04	291.17	2.28	-49.76
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NCC1=NN=N[N-]1	REAL250004591121	1	32	-1.0	-52.06	291.23	2.29	-49.77
CN1C=NC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C21	REAL250004591122	0	29	-1.0	-39.33	254.45	2.37	-36.96
CN1C=NC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C21	REAL250004591122	1	29	-1.0	-39.35	254.39	2.36	-36.99
COC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004591123	0	25	-1.0	-36.09	247.32	-0.68	-36.77
COC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004591123	1	25	-1.0	-36.13	247.26	-0.69	-36.82
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591124	0	27	-1.0	-38.61	254.60	0.14	-38.47
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591124	1	27	-1.0	-38.60	254.65	0.15	-38.45
CC(C(=O)NCC1=N[N-]N=N1)C(C)S(C)(=O)=O	REAL250004591125	0	31	-1.0	-41.77	266.18	-2.23	-44.00
CC(C(=O)NCC1=NN=N[N-]1)C(C)S(C)(=O)=O	REAL250004591125	1	31	-1.0	-41.80	266.24	-2.22	-44.02
CCOC1=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2N1	REAL250004591126	0	33	-1.0	-39.61	291.84	-1.35	-40.96
CCOC1=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2N1	REAL250004591126	1	33	-1.0	-39.65	291.89	-1.34	-40.99
O=C(NCC1=N[N-]N=N1)C1=C(Br)OC=C1	REAL250004591127	0	20	-1.0	-36.66	213.97	-0.08	-36.74
O=C(NCC1=NN=N[N-]1)C1=C(Br)OC=C1	REAL250004591127	1	20	-1.0	-36.65	214.03	-0.07	-36.72
N#CC1=CC=CC(C2=NOC(C(=O)NCC3=NN=N[N-]3)=C2)=C1	REAL250004591128	0	30	-1.0	-40.34	291.17	2.62	-37.72
N#CC1=CC=CC(C2=NOC(C(=O)NCC3=N[N-]N=N3)=C2)=C1	REAL250004591128	1	30	-1.0	-40.31	291.11	2.61	-37.70
O=C(NCC1=N[N-]N=N1)C1CCCN1C1=CC=CC=C1	REAL250004591129	0	35	-1.0	-38.77	292.10	2.03	-36.74
O=C(NCC1=NN=N[N-]1)C1CCCN1C1=CC=CC=C1	REAL250004591129	1	35	-1.0	-38.77	292.15	2.04	-36.73
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(F)=C1Cl	REAL250004591130	0	26	-1.0	-38.85	250.97	2.40	-36.45
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(F)=C1Cl	REAL250004591130	1	26	-1.0	-38.81	251.03	2.41	-36.40
CC1=NN(CC(=O)NCC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004591131	0	36	-1.0	-43.06	315.76	3.48	-39.58
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CC(C)CC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591176	1	35	-1.0	-37.26	285.13	3.89	-33.37
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COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004591224	0	32	-1.0	-37.49	283.67	1.80	-35.69
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CCN1N=NC2=C1CCC(C(=O)NCC1=N[N-]N=N1)C2	REAL250004591229	0	35	-1.0	-43.22	293.96	0.82	-42.40
CCN1N=NC2=C1CCC(C(=O)NCC1=NN=N[N-]1)C2	REAL250004591229	1	35	-1.0	-43.19	294.02	0.83	-42.36
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O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL250004591248	0	23	-1.0	-34.18	244.11	1.41	-32.77
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250004591248	1	23	-1.0	-34.19	244.16	1.43	-32.76
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004591249	0	31	-1.0	-38.93	272.86	-1.24	-40.17
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004591249	1	31	-1.0	-38.88	272.92	-1.23	-40.11
O=C(COC1=CC=C(CO)C=C1)NCC1=N[N-]N=N1	REAL250004591250	0	31	-1.0	-40.76	277.92	-0.86	-41.62
O=C(COC1=CC=C(CO)C=C1)NCC1=NN=N[N-]1	REAL250004591250	1	31	-1.0	-40.77	277.97	-0.84	-41.61
O=C(NCC1=N[N-]N=N1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL250004591251	0	30	-1.0	-40.02	259.35	-6.99	-47.01
O=C(NCC1=NN=N[N-]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL250004591251	1	30	-1.0	-40.02	259.40	-6.97	-46.99
O=C(NCC1=NN=N[N-]1)C1=C(C(F)(F)F)N=CS1	REAL250004591252	0	22	-1.0	-37.92	232.86	-0.52	-38.44
O=C(NCC1=N[N-]N=N1)C1=C(C(F)(F)F)N=CS1	REAL250004591252	1	22	-1.0	-37.90	232.81	-0.54	-38.44
NS(=O)(=O)CCCCCC(=O)NCC1=N[N-]N=N1	REAL250004591253	0	33	-1.0	-47.44	297.54	-3.73	-51.17
NS(=O)(=O)CCCCCC(=O)NCC1=NN=N[N-]1	REAL250004591253	1	33	-1.0	-47.42	297.60	-3.72	-51.14
CN(C)S(=O)(=O)N(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591254	0	32	-1.0	-37.97	283.97	-3.13	-41.10
CN(C)S(=O)(=O)N(C)CC(=O)NCC1=NN=N[N-]1	REAL250004591254	1	32	-1.0	-38.00	284.03	-3.12	-41.12
NS(=O)(=O)CCCCCCC(=O)NCC1=N[N-]N=N1	REAL250004591255	0	36	-1.0	-45.89	319.04	-2.95	-48.84
NS(=O)(=O)CCCCCCC(=O)NCC1=NN=N[N-]1	REAL250004591255	1	36	-1.0	-45.90	319.09	-2.94	-48.84
CCCC(C(=O)NCC1=N[N-]N=N1)S(N)(=O)=O	REAL250004591256	0	30	-1.0	-39.39	265.18	-4.40	-43.79
CCCC(C(=O)NCC1=NN=N[N-]1)S(N)(=O)=O	REAL250004591256	1	30	-1.0	-39.41	265.23	-4.38	-43.79
CN1C=NC2=CC=C(C(=O)NCC3=NN=N[N-]3)N=C21	REAL250004591257	0	28	-1.0	-42.22	257.11	1.82	-40.40
CN1C=NC2=CC=C(C(=O)NCC3=N[N-]N=N3)N=C21	REAL250004591257	1	28	-1.0	-42.22	257.05	1.81	-40.41
CS(=O)(=O)C1=NC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591258	0	27	-1.0	-47.21	266.76	-4.03	-51.24
CS(=O)(=O)C1=NC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591258	1	27	-1.0	-47.25	266.70	-4.04	-51.29
O=C(NCC1=N[N-]N=N1)C1CCCN(CC(F)F)C1	REAL250004591259	0	34	-1.0	-39.39	275.21	-0.49	-39.88
O=C(NCC1=NN=N[N-]1)C1CCCN(CC(F)F)C1	REAL250004591259	1	34	-1.0	-39.38	275.27	-0.47	-39.85
CC1=CC=NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004591260	0	31	-1.0	-39.08	270.65	2.18	-36.90
CC1=CC=NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004591260	1	31	-1.0	-39.10	270.60	2.16	-36.94
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591261	0	32	-1.0	-37.49	276.62	2.21	-35.28
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591261	1	32	-1.0	-37.51	276.57	2.19	-35.32
O=C(C=CC1=CC=C(F)C(F)=C1)NCC1=N[N-]N=N1	REAL250004591262	0	27	-1.0	-37.93	258.79	2.55	-35.38
O=C(C=CC1=CC=C(F)C(F)=C1)NCC1=NN=N[N-]1	REAL250004591262	1	27	-1.0	-37.94	258.85	2.57	-35.37
CCC1=CC=CC=C1OCCC(=O)NCC1=N[N-]N=N1	REAL250004591263	0	36	-1.0	-36.55	307.75	3.05	-33.50
CCC1=CC=CC=C1OCCC(=O)NCC1=NN=N[N-]1	REAL250004591263	1	36	-1.0	-36.56	307.81	3.07	-33.49
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(C)=C1OC	REAL250004591264	0	34	-1.0	-37.34	288.71	1.32	-36.02
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(C)=C1OC	REAL250004591264	1	34	-1.0	-37.38	288.76	1.33	-36.05
COCCN1C=C(C(=O)NCC2=N[N-]N=N2)C(=O)C=C1C	REAL250004591265	0	36	-1.0	-58.94	305.68	1.08	-57.86
COCCN1C=C(C(=O)NCC2=NN=N[N-]2)C(=O)C=C1C	REAL250004591265	1	36	-1.0	-58.94	305.73	1.10	-57.84
CC1=NC=C2CCC(C(=O)NCC3=N[N-]N=N3)CN21	REAL250004591266	0	33	-1.0	-36.94	275.97	1.92	-35.02
CC1=NC=C2CCC(C(=O)NCC3=NN=N[N-]3)CN21	REAL250004591266	1	33	-1.0	-36.94	276.03	1.94	-35.00
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004591267	0	26	-1.0	-36.97	254.84	-0.72	-37.69
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004591267	1	26	-1.0	-36.99	254.78	-0.74	-37.73
CC1=NN=C(COCC(=O)NCC2=N[N-]N=N2)S1	REAL250004591268	0	28	-1.0	-44.87	271.85	-0.91	-45.78
CC1=NN=C(COCC(=O)NCC2=NN=N[N-]2)S1	REAL250004591268	1	28	-1.0	-44.89	271.91	-0.89	-45.78
COC1=CC=CC(C2(C(=O)NCC3=N[N-]N=N3)CC2)=C1	REAL250004591269	0	34	-1.0	-42.05	292.07	2.24	-39.81
COC1=CC=CC(C2(C(=O)NCC3=NN=N[N-]3)CC2)=C1	REAL250004591269	1	34	-1.0	-42.04	292.13	2.25	-39.79
CCC1=CC=C2OC=C(C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004591270	0	32	-1.0	-39.85	283.14	3.01	-36.84
CCC1=CC=C2OC=C(C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004591270	1	32	-1.0	-39.85	283.19	3.02	-36.83
CC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1O	REAL250004591271	0	29	-1.0	-40.28	261.59	0.25	-40.03
CC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1O	REAL250004591271	1	29	-1.0	-40.29	261.65	0.27	-40.02
CC(CN1C=CC2=CC=CC=C21)C(=O)NCC1=N[N-]N=N1	REAL250004591272	0	36	-1.0	-36.59	306.71	4.47	-32.12
CC(CN1C=CC2=CC=CC=C21)C(=O)NCC1=NN=N[N-]1	REAL250004591272	1	36	-1.0	-36.58	306.77	4.49	-32.09
O=C(NCC1=N[N-]N=N1)C(CO)C1=CC=C(Cl)C=C1	REAL250004591274	0	30	-1.0	-35.76	279.60	-0.34	-36.10
O=C(NCC1=NN=N[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL250004591274	1	30	-1.0	-35.76	279.66	-0.33	-36.09
CC(C)OC1=NC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591275	0	32	-1.0	-40.94	278.63	1.07	-39.87
CC(C)OC1=NC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591275	1	32	-1.0	-40.96	278.57	1.06	-39.90
O=C(NCC1=NN=N[N-]1)C1=NC=C(CC2=CC=CC=C2)O1	REAL250004591276	0	32	-1.0	-39.94	294.06	0.94	-39.00
O=C(NCC1=N[N-]N=N1)C1=NC=C(CC2=CC=CC=C2)O1	REAL250004591276	1	32	-1.0	-39.93	294.00	0.92	-39.01
CC1=CSC(C(C)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591277	0	28	-1.0	-37.09	260.20	0.22	-36.87
CC1=CSC(C(C)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591277	1	28	-1.0	-37.07	260.27	0.24	-36.83
N#CC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591278	0	24	-1.0	-38.99	244.90	2.15	-36.84
N#CC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591278	1	24	-1.0	-38.97	244.96	2.16	-36.81
CC(C)CC1=CC=CC(C(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591279	0	41	-1.0	-36.34	333.30	5.14	-31.20
CC(C)CC1=CC=CC(C(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591279	1	41	-1.0	-36.33	333.36	5.16	-31.17
O=C(NCC1=N[N-]N=N1)C1CCCC2CCCCC21	REAL250004591280	0	39	-1.0	-35.80	287.98	3.60	-32.20
O=C(NCC1=NN=N[N-]1)C1CCCC2CCCCC21	REAL250004591280	1	39	-1.0	-35.84	288.04	3.62	-32.22
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NN1	REAL250004591281	0	23	-1.0	-33.04	234.57	-1.32	-34.36
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NN1	REAL250004591281	1	23	-1.0	-33.06	234.62	-1.31	-34.37
CN(CCC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004591282	0	39	-1.0	-39.77	322.60	1.28	-38.49
CN(CCC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004591282	1	39	-1.0	-39.82	322.65	1.29	-38.53
O=C(NCC1=N[N-]N=N1)C1=CSC=C1Br	REAL250004591283	0	20	-1.0	-37.28	220.55	0.76	-36.52
O=C(NCC1=NN=N[N-]1)C1=CSC=C1Br	REAL250004591283	1	20	-1.0	-37.28	220.61	0.78	-36.50
COC1=CC=CC(CCC(=O)NCC2=N[N-]N=N2)=C1F	REAL250004591284	0	33	-1.0	-40.93	292.35	2.07	-38.86
COC1=CC=CC(CCC(=O)NCC2=NN=N[N-]2)=C1F	REAL250004591284	1	33	-1.0	-40.90	292.41	2.09	-38.81
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004591285	0	36	-1.0	-43.51	305.33	3.12	-40.39
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004591285	1	36	-1.0	-43.52	305.39	3.14	-40.38
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004591286	0	30	-1.0	-47.06	283.01	-3.36	-50.42
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004591286	1	30	-1.0	-47.04	282.95	-3.38	-50.42
O=C(NCC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250004591287	0	25	-1.0	-40.27	244.30	1.99	-38.28
O=C(NCC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250004591287	1	25	-1.0	-40.28	244.35	2.00	-38.28
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C(Cl)=NS1	REAL250004591288	0	19	-1.0	-32.34	229.43	-0.21	-32.55
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C(Cl)=NS1	REAL250004591288	1	19	-1.0	-32.32	229.37	-0.23	-32.55
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004591289	0	31	-1.0	-39.52	286.45	1.15	-38.37
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004591289	1	31	-1.0	-39.51	286.39	1.13	-38.38
O=C(CC1=CC=C2N=CSC2=C1)NCC1=NN=N[N-]1	REAL250004591290	0	28	-1.0	-40.01	267.39	1.32	-38.69
O=C(CC1=CC=C2N=CSC2=C1)NCC1=N[N-]N=N1	REAL250004591290	1	28	-1.0	-39.97	267.33	1.31	-38.66
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004591291	0	32	-1.0	-39.64	285.66	3.96	-35.68
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004591291	1	32	-1.0	-39.62	285.60	3.95	-35.67
CNC1=NC=CC(C(=O)NCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004591292	0	29	-1.0	-41.59	270.10	1.14	-40.45
CNC1=NC=CC(C(=O)NCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004591292	1	29	-1.0	-41.60	270.04	1.12	-40.48
CN(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004591293	0	36	-1.0	-40.43	309.18	1.54	-38.89
CN(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004591293	1	36	-1.0	-40.42	309.12	1.53	-38.89
CC1=CC(=O)C(C(=O)NCC2=N[N-]N=N2)=CN1C1CC1	REAL250004591294	0	33	-1.0	-55.33	281.45	2.59	-52.74
CC1=CC(=O)C(C(=O)NCC2=NN=N[N-]2)=CN1C1CC1	REAL250004591294	1	33	-1.0	-55.32	281.50	2.60	-52.72
COC(=O)CC1=C(C(=O)NCC2=N[N-]N=N2)C=CO1	REAL250004591295	0	29	-1.0	-41.67	268.78	0.82	-40.85
COC(=O)CC1=C(C(=O)NCC2=NN=N[N-]2)C=CO1	REAL250004591295	1	29	-1.0	-41.70	268.83	0.83	-40.87
CN(C)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591296	1	33	-1.0	-37.19	283.29	-0.86	-38.05
CN(C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591296	1	33	-1.0	-37.19	283.35	-0.84	-38.03
NC1=NC(C2CCCC2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591297	0	36	-1.0	-34.88	298.07	0.85	-34.03
NC1=NC(C2CCCC2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591297	1	36	-1.0	-34.91	298.13	0.86	-34.05
O=C(CC1=COC2=CC=CC=C12)NCC1=N[N-]N=N1	REAL250004591298	0	29	-1.0	-40.55	264.10	2.29	-38.26
O=C(CC1=COC2=CC=CC=C12)NCC1=NN=N[N-]1	REAL250004591298	1	29	-1.0	-40.60	264.16	2.30	-38.30
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NCC1=N[N-]N=N1	REAL250004591299	0	36	-1.0	-39.39	314.09	1.24	-38.15
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NCC1=NN=N[N-]1	REAL250004591299	1	36	-1.0	-39.36	314.14	1.26	-38.10
CN1N=CC=C1COCC(=O)NCC1=N[N-]N=N1	REAL250004591300	0	30	-1.0	-43.05	271.50	-0.01	-43.06
CN1N=CC=C1COCC(=O)NCC1=NN=N[N-]1	REAL250004591300	1	30	-1.0	-43.06	271.55	0.01	-43.05
CC1=CC2=C(C)C=CN=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591301	0	34	-1.0	-45.63	289.98	3.28	-42.35
CC1=CC2=C(C)C=CN=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591301	1	34	-1.0	-45.68	289.92	3.26	-42.42
O=C(NCC1=N[N-]N=N1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004591302	0	31	-1.0	-36.15	286.95	2.76	-33.39
O=C(NCC1=NN=N[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004591302	1	31	-1.0	-36.14	287.01	2.77	-33.37
O=C(NCC1=N[N-]N=N1)C1CCC(=O)C2=CC=CC=C21	REAL250004591303	0	32	-1.0	-37.76	275.65	2.78	-34.98
O=C(NCC1=NN=N[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL250004591303	1	32	-1.0	-37.75	275.71	2.79	-34.96
CC1=CSC(CCCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004591304	0	31	-1.0	-39.80	285.67	1.22	-38.58
CC1=CSC(CCCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004591304	1	31	-1.0	-39.79	285.73	1.23	-38.56
O=CC1=CN(CC(=O)NCC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004591305	0	32	-1.0	-42.13	293.07	3.12	-39.01
O=CC1=CN(CC(=O)NCC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004591305	1	32	-1.0	-42.09	293.13	3.13	-38.96
O=C(NCC1=N[N-]N=N1)C12C3C(=O)C4C1C1CC4C3C12	REAL250004591306	0	32	-1.0	-41.47	266.36	2.32	-39.15
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COCC1=C(C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004591309	1	26	-1.0	-38.02	249.45	-1.95	-39.97
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004591310	0	32	-1.0	-48.86	284.39	-0.28	-49.14
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004591310	1	32	-1.0	-48.85	284.45	-0.27	-49.12
CC(C)(C(=O)NCC1=N[N-]N=N1)S(=O)(=O)C1CC1	REAL250004591311	0	32	-1.0	-48.11	280.70	-1.15	-49.26
CC(C)(C(=O)NCC1=NN=N[N-]1)S(=O)(=O)C1CC1	REAL250004591311	1	32	-1.0	-48.13	280.75	-1.13	-49.26
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CC(C)(C)C(NC(N)=O)C(=O)NCC1=N[N-]N=N1	REAL250004591314	0	34	-1.0	-36.62	273.22	-3.01	-39.63
CC(C)(C)C(NC(N)=O)C(=O)NCC1=NN=N[N-]1	REAL250004591314	1	34	-1.0	-36.63	273.27	-3.00	-39.63
CC(C)C1=NN=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591315	0	27	-1.0	-38.37	259.00	-0.66	-39.03
CC(C)C1=NN=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591315	1	27	-1.0	-38.38	259.06	-0.64	-39.02
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CS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004591317	0	29	-1.0	-42.99	276.57	-1.21	-44.20
CS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004591317	1	29	-1.0	-43.01	276.63	-1.20	-44.21
CCC(C(=O)NCC1=N[N-]N=N1)N1CCOC(CC)C1	REAL250004591318	0	41	-1.0	-36.46	316.51	-0.32	-36.78
CCC(C(=O)NCC1=NN=N[N-]1)N1CCOC(CC)C1	REAL250004591318	1	41	-1.0	-36.43	316.57	-0.31	-36.74
CCCCCCCCC(O)CCC(=O)NCC1=N[N-]N=N1	REAL250004591319	0	47	-1.0	-35.91	379.23	2.71	-33.20
CCCCCCCCC(O)CCC(=O)NCC1=NN=N[N-]1	REAL250004591319	1	47	-1.0	-35.93	379.29	2.72	-33.21
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COC(=O)N[C@@H](CC(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004591320	1	36	-1.0	-34.68	293.88	-1.36	-36.04
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CC1(C=CC(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004591324	0	34	-1.0	-36.72	273.80	0.59	-36.13
CC1(C=CC(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004591324	1	34	-1.0	-36.70	273.86	0.60	-36.10
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CC1=CNC(CC(N)=O)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591331	0	31	-1.0	-47.98	281.89	-2.97	-50.95
CC1=CNC(CC(N)=O)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591331	1	31	-1.0	-47.90	281.95	-2.96	-50.86
CN1N=C(C(=O)NCC2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL250004591332	0	32	-1.0	-41.90	285.25	0.44	-41.46
CN1N=C(C(=O)NCC2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL250004591332	1	32	-1.0	-41.90	285.20	0.42	-41.48
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NC=C1C(N)=O	REAL250004591333	0	29	-1.0	-39.68	259.75	-3.02	-42.70
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NC=C1C(N)=O	REAL250004591333	1	29	-1.0	-39.71	259.81	-3.01	-42.72
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CC1CC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2O1	REAL250004591335	0	31	-1.0	-43.07	267.58	2.76	-40.31
CC1CC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2O1	REAL250004591335	1	31	-1.0	-43.08	267.64	2.77	-40.31
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(C(C)C)=N1	REAL250004591336	0	34	-1.0	-36.21	282.92	2.24	-33.97
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(C(C)C)=N1	REAL250004591336	1	34	-1.0	-36.23	282.98	2.25	-33.98
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CN=C2S1	REAL250004591337	0	25	-1.0	-40.78	245.49	0.76	-40.02
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CN=C2S1	REAL250004591337	1	25	-1.0	-40.81	245.44	0.74	-40.07
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=NC=C2C=C1	REAL250004591338	0	28	-1.0	-37.63	252.59	1.74	-35.89
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=NC=C2C=C1	REAL250004591338	1	28	-1.0	-37.65	252.54	1.73	-35.92
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C2=C1CCC2	REAL250004591339	0	33	-1.0	-38.54	273.67	3.70	-34.84
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C2=C1CCC2	REAL250004591339	1	33	-1.0	-38.53	273.72	3.72	-34.81
CCC(CC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL250004591340	0	28	-1.0	-33.73	244.75	1.05	-32.68
CCC(CC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004591340	1	28	-1.0	-33.69	244.81	1.06	-32.63
CC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004591341	0	32	-1.0	-42.57	288.89	-0.79	-43.36
CC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004591341	1	32	-1.0	-42.61	288.84	-0.81	-43.42
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004591342	0	30	-1.0	-38.86	278.35	3.69	-35.17
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004591342	1	30	-1.0	-38.87	278.41	3.70	-35.17
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCC1=N[N-]N=N1	REAL250004591343	0	32	-1.0	-43.62	287.20	1.01	-42.61
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCC1=NN=N[N-]1	REAL250004591343	1	32	-1.0	-43.68	287.26	1.02	-42.66
CC1=C(C(=O)NCC2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004591344	0	31	-1.0	-36.21	272.84	-1.34	-37.55
CC1=C(C(=O)NCC2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004591344	1	31	-1.0	-36.19	272.90	-1.32	-37.51
CC(F)(F)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591345	0	29	-1.0	-36.06	264.73	2.78	-33.28
CC(F)(F)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591345	1	29	-1.0	-36.05	264.79	2.79	-33.26
CC(C)CC(CC(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004591346	0	40	-1.0	-35.98	302.65	3.09	-32.89
CC(C)CC(CC(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004591346	1	40	-1.0	-35.95	302.71	3.11	-32.84
O=C(CC1COC2=CC=CC=C2O1)NCC1=N[N-]N=N1	REAL250004591347	0	32	-1.0	-42.30	279.39	1.85	-40.45
O=C(CC1COC2=CC=CC=C2O1)NCC1=NN=N[N-]1	REAL250004591347	1	32	-1.0	-42.29	279.45	1.87	-40.42
O=C(NCC1=NN=N[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250004591348	0	26	-1.0	-38.22	250.10	-1.31	-39.53
O=C(NCC1=N[N-]N=N1)C1=CC=NC(OC(F)F)=C1	REAL250004591348	1	26	-1.0	-38.25	250.04	-1.32	-39.57
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004591349	0	40	-1.0	-43.27	326.01	-0.25	-43.52
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004591349	1	40	-1.0	-43.26	326.07	-0.24	-43.50
COC1=CC(C(=O)NCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004591350	0	29	-1.0	-37.49	271.55	2.30	-35.19
COC1=CC(C(=O)NCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004591350	1	29	-1.0	-37.49	271.61	2.31	-35.18
O=C(NCC1=N[N-]N=N1)C1CC12CCSCC2	REAL250004591351	0	31	-1.0	-36.95	269.40	2.37	-34.58
O=C(NCC1=NN=N[N-]1)C1CC12CCSCC2	REAL250004591351	1	31	-1.0	-36.95	269.45	2.39	-34.56
CC(C)C1=C(C(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004591352	0	28	-1.0	-36.32	257.07	0.34	-35.98
CC(C)C1=C(C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004591352	1	28	-1.0	-36.28	257.13	0.35	-35.93
CC1=NC2=CC=NN2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591353	0	28	-1.0	-36.74	250.33	0.82	-35.92
CC1=NC2=CC=NN2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591353	1	28	-1.0	-36.68	250.39	0.83	-35.85
O=C(NCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1Cl	REAL250004591354	0	30	-1.0	-36.00	270.34	3.61	-32.39
O=C(NCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250004591354	1	30	-1.0	-36.00	270.39	3.62	-32.38
CC(=O)C1=CN(CC(=O)NCC2=N[N-]N=N2)N=N1	REAL250004591355	0	27	-1.0	-43.34	256.78	-1.57	-44.91
CC(=O)C1=CN(CC(=O)NCC2=NN=N[N-]2)N=N1	REAL250004591355	1	27	-1.0	-43.34	256.83	-1.56	-44.90
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CC1=C(C(=O)NCC2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004591357	0	29	-1.0	-33.54	266.95	1.04	-32.50
CC1=C(C(=O)NCC2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004591357	1	29	-1.0	-33.55	267.01	1.05	-32.50
COC1=CC(CC(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004591358	0	30	-1.0	-38.03	281.72	1.77	-36.26
COC1=CC(CC(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004591358	1	30	-1.0	-38.00	281.78	1.79	-36.21
O=C(CC1=CC=C(O)C(F)=C1)NCC1=N[N-]N=N1	REAL250004591359	0	27	-1.0	-39.69	253.43	-0.85	-40.54
O=C(CC1=CC=C(O)C(F)=C1)NCC1=NN=N[N-]1	REAL250004591359	1	27	-1.0	-39.69	253.49	-0.84	-40.53
CN1N=C(C(F)(F)F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591360	0	26	-1.0	-33.61	253.30	-0.02	-33.63
CN1N=C(C(F)(F)F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591360	1	26	-1.0	-33.59	253.24	-0.04	-33.63
CC1=CC(F)=C(CC(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004591361	0	29	-1.0	-37.69	268.32	2.67	-35.02
CC1=CC(F)=C(CC(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004591361	1	29	-1.0	-37.72	268.38	2.69	-35.03
COC1COCCC1CC(=O)NCC1=N[N-]N=N1	REAL250004591362	0	34	-1.0	-36.04	278.71	-1.13	-37.17
COC1COCCC1CC(=O)NCC1=NN=N[N-]1	REAL250004591362	1	34	-1.0	-36.03	278.76	-1.11	-37.14
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N1	REAL250004591363	0	24	-1.0	-34.17	239.79	-0.02	-34.19
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N1	REAL250004591363	1	24	-1.0	-34.18	239.84	-0.01	-34.19
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004591364	0	26	-1.0	-36.95	257.95	2.80	-34.15
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004591364	1	26	-1.0	-36.98	258.01	2.82	-34.16
CC(C)(C)C(=O)CCCC(=O)NCC1=N[N-]N=N1	REAL250004591365	0	36	-1.0	-42.74	299.74	2.24	-40.50
CC(C)(C)C(=O)CCCC(=O)NCC1=NN=N[N-]1	REAL250004591365	1	36	-1.0	-42.78	299.80	2.25	-40.53
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591366	0	38	-1.0	-37.94	318.29	-2.56	-40.50
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591366	1	38	-1.0	-37.89	318.35	-2.55	-40.44
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C)N2N=NN=C2N1C	REAL250004591367	0	34	-1.0	-37.33	290.65	1.81	-35.52
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C)N2N=NN=C2N1C	REAL250004591367	1	34	-1.0	-37.35	290.59	1.79	-35.56
CCC1=C(C(=O)NCC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004591368	0	32	-1.0	-39.53	282.05	3.08	-36.45
CCC1=C(C(=O)NCC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004591368	1	32	-1.0	-39.52	282.10	3.09	-36.43
CC(OCCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591369	0	36	-1.0	-38.01	311.94	3.78	-34.23
CC(OCCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591369	1	36	-1.0	-37.97	312.00	3.80	-34.17
C=CCOC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591370	0	34	-1.0	-38.33	300.45	2.73	-35.60
C=CCOC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591370	1	34	-1.0	-38.29	300.50	2.75	-35.54
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL250004591371	0	33	-1.0	-37.75	268.51	3.73	-34.02
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1CCCC2	REAL250004591371	1	33	-1.0	-37.76	268.57	3.75	-34.01
COC(CC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591372	0	33	-1.0	-37.15	281.54	2.49	-34.66
COC(CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591372	1	33	-1.0	-37.15	281.60	2.50	-34.65
O=C(NCC1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004591373	0	26	-1.0	-34.26	251.15	0.34	-33.92
O=C(NCC1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004591373	1	26	-1.0	-34.24	251.21	0.36	-33.88
CCCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(OC)=C1	REAL250004591374	0	37	-1.0	-39.94	311.61	2.85	-37.09
CCCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(OC)=C1	REAL250004591374	1	37	-1.0	-39.92	311.67	2.87	-37.05
CCOC(=O)C1=C(C)NC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591375	0	33	-1.0	-37.19	295.08	1.13	-36.06
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591375	1	33	-1.0	-37.22	295.14	1.15	-36.07
CC(=O)NC[C@H](CC(=O)NCC1=N[N-]N=N1)CC(C)C	REAL250004591376	0	41	-1.0	-39.78	323.99	0.68	-39.10
CC(=O)NC[C@H](CC(=O)NCC1=NN=N[N-]1)CC(C)C	REAL250004591376	1	41	-1.0	-39.78	324.05	0.69	-39.09
CCOCC1=NC(C)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591377	0	32	-1.0	-36.77	293.19	-0.27	-37.04
CCOCC1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591377	1	32	-1.0	-36.78	293.25	-0.26	-37.04
O=C(NCC1=N[N-]N=N1)C1=COC2=C1C(=O)CCC2	REAL250004591378	0	29	-1.0	-49.02	256.87	2.40	-46.62
O=C(NCC1=NN=N[N-]1)C1=COC2=C1C(=O)CCC2	REAL250004591378	1	29	-1.0	-48.99	256.93	2.42	-46.57
CC=CCOC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591379	0	37	-1.0	-39.26	322.15	3.60	-35.66
CC=CCOC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591379	1	37	-1.0	-39.26	322.21	3.62	-35.64
CN(C)C1=NC(Cl)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591380	0	27	-1.0	-39.28	269.05	0.58	-38.70
CN(C)C1=NC(Cl)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591380	1	27	-1.0	-39.31	268.99	0.56	-38.75
O=C(NCC1=NN=N[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004591381	0	36	-1.0	-42.86	319.96	3.66	-39.20
O=C(NCC1=N[N-]N=N1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004591381	1	36	-1.0	-42.89	319.90	3.65	-39.24
O=C(NCC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2)C1	REAL250004591382	0	35	-1.0	-37.61	290.25	1.57	-36.04
O=C(NCC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL250004591382	1	35	-1.0	-37.62	290.30	1.58	-36.04
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004591383	0	44	-1.0	-35.00	341.74	1.38	-33.62
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004591383	1	44	-1.0	-35.01	341.80	1.40	-33.61
CC(C)CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004591384	0	35	-1.0	-39.45	302.75	2.28	-37.17
CC(C)CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004591384	1	35	-1.0	-39.44	302.81	2.29	-37.15
O=C(NCC1=NN=N[N-]1)C1=CC=NN1CC(F)(F)F	REAL250004591385	0	26	-1.0	-35.90	251.76	0.30	-35.60
O=C(NCC1=N[N-]N=N1)C1=CC=NN1CC(F)(F)F	REAL250004591385	1	26	-1.0	-35.96	251.70	0.28	-35.68
COC(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591386	0	32	-1.0	-39.84	290.99	2.59	-37.25
COC(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591386	1	32	-1.0	-39.84	291.05	2.61	-37.23
COC1=CC(CC(=O)NCC2=N[N-]N=N2)=CC=C1O	REAL250004591387	0	31	-1.0	-40.28	276.45	-0.95	-41.23
COC1=CC(CC(=O)NCC2=NN=N[N-]2)=CC=C1O	REAL250004591387	1	31	-1.0	-40.28	276.50	-0.93	-41.21
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591388	0	33	-1.0	-39.05	296.86	3.08	-35.97
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591388	1	33	-1.0	-39.05	296.92	3.09	-35.96
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL250004591389	0	26	-1.0	-38.76	253.38	-0.74	-39.50
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL250004591389	1	26	-1.0	-38.77	253.44	-0.73	-39.50
CN1C=C(C=C(C#N)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591390	0	28	-1.0	-40.50	262.71	0.38	-40.12
CN1C=C(C=C(C#N)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591390	1	28	-1.0	-40.49	262.76	0.39	-40.10
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCC1=N[N-]N=N1	REAL250004591391	0	36	-1.0	-39.07	312.31	2.26	-36.81
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCC1=NN=N[N-]1	REAL250004591391	1	36	-1.0	-39.04	312.37	2.28	-36.76
N#CC1=C(F)C=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004591392	0	24	-1.0	-33.67	244.13	1.70	-31.97
N#CC1=C(F)C=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004591392	1	24	-1.0	-33.67	244.18	1.71	-31.96
O=C(NCC1=NN=N[N-]1)C1=CN(CC(O)CO)N=C1	REAL250004591393	0	31	-1.0	-45.69	280.42	-5.58	-51.27
O=C(NCC1=N[N-]N=N1)C1=CN(CC(O)CO)N=C1	REAL250004591393	1	31	-1.0	-45.70	280.36	-5.60	-51.30
O=C(NCC1=NN=N[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004591394	0	33	-1.0	-45.21	300.95	0.88	-44.33
O=C(NCC1=N[N-]N=N1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004591394	1	33	-1.0	-45.19	300.89	0.86	-44.33
O=C(NCC1=N[N-]N=N1)C1CCCC1C1=CC=CC=C1	REAL250004591395	0	36	-1.0	-36.88	295.92	4.38	-32.50
O=C(NCC1=NN=N[N-]1)C1CCCC1C1=CC=CC=C1	REAL250004591395	1	36	-1.0	-36.89	295.98	4.39	-32.50
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=N[N-]N=N1	REAL250004591396	0	36	-1.0	-35.77	293.96	-0.68	-36.45
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=NN=N[N-]1	REAL250004591396	1	36	-1.0	-35.74	294.02	-0.67	-36.41
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004591397	0	39	-1.0	-36.59	302.35	4.68	-31.91
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004591397	1	39	-1.0	-36.55	302.41	4.69	-31.86
CC(=O)N[C@H](C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL250004591398	0	35	-1.0	-36.58	282.32	-0.42	-37.00
CC(=O)N[C@H](C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL250004591398	1	35	-1.0	-36.51	282.38	-0.41	-36.92
CC1=NSC(NC2CC2)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591399	0	31	-1.0	-36.22	288.15	-0.05	-36.27
CC1=NSC(NC2CC2)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591399	1	31	-1.0	-36.21	288.21	-0.03	-36.24
CCN1N=C(C)C(CC(=O)NCC2=N[N-]N=N2)=C1C	REAL250004591400	0	35	-1.0	-41.00	299.89	1.57	-39.43
CCN1N=C(C)C(CC(=O)NCC2=NN=N[N-]2)=C1C	REAL250004591400	1	35	-1.0	-40.99	299.95	1.59	-39.40
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004591401	0	28	-1.0	-40.95	259.16	1.72	-39.23
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004591401	1	28	-1.0	-40.98	259.10	1.71	-39.27
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004591402	0	38	-1.0	-41.12	319.64	2.24	-38.88
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004591402	1	38	-1.0	-41.10	319.69	2.25	-38.85
CC1=CC(C=CC(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004591403	0	30	-1.0	-36.62	272.78	3.13	-33.49
CC1=CC(C=CC(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004591403	1	30	-1.0	-36.65	272.84	3.15	-33.50
O=C(NCC1=NN=N[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004591404	0	35	-1.0	-41.48	315.66	2.21	-39.27
O=C(NCC1=N[N-]N=N1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004591404	1	35	-1.0	-41.51	315.60	2.20	-39.31
CC1(C(=O)NCC2=N[N-]N=N2)CC1Br	REAL250004591405	0	23	-1.0	-36.88	221.09	0.99	-35.89
CC1(C(=O)NCC2=NN=N[N-]2)CC1Br	REAL250004591405	1	23	-1.0	-36.85	221.15	1.00	-35.85
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004591406	0	38	-1.0	-39.38	303.40	4.76	-34.62
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004591406	1	38	-1.0	-39.39	303.45	4.78	-34.61
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591407	0	32	-1.0	-38.35	284.83	2.04	-36.31
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591407	1	32	-1.0	-38.36	284.89	2.05	-36.31
CC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004591408	0	32	-1.0	-44.35	290.04	0.37	-43.98
CC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004591408	1	32	-1.0	-44.37	289.98	0.36	-44.01
CC(C)(C)N1C=NC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591410	0	31	-1.0	-44.09	271.98	1.53	-42.56
CC(C)(C)N1C=NC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591410	1	31	-1.0	-44.10	271.92	1.51	-42.59
NC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004591411	0	31	-1.0	-41.34	278.29	1.15	-40.19
NC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004591411	1	31	-1.0	-41.35	278.23	1.13	-40.22
COC(=O)CC1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004591412	0	29	-1.0	-40.50	275.29	1.72	-38.78
COC(=O)CC1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004591412	1	29	-1.0	-40.47	275.35	1.73	-38.74
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004591413	0	25	-1.0	-32.25	257.04	0.16	-32.09
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004591413	1	25	-1.0	-32.23	257.10	0.18	-32.05
NC1=NC(Cl)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591414	0	24	-1.0	-33.71	233.86	-0.99	-34.70
NC1=NC(Cl)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591414	1	24	-1.0	-33.69	233.80	-1.00	-34.69
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=N[N-]N=N1	REAL250004591415	0	30	-1.0	-42.34	280.75	2.34	-40.00
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=NN=N[N-]1	REAL250004591415	1	30	-1.0	-42.36	280.81	2.35	-40.01
CCC1=CC=C(C#CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591416	0	31	-1.0	-37.10	286.22	4.03	-33.07
CCC1=CC=C(C#CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591416	1	31	-1.0	-37.09	286.28	4.04	-33.05
N#CC1=CC(C(=O)NCC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL250004591417	0	26	-1.0	-33.71	264.71	0.78	-32.93
N#CC1=CC(C(=O)NCC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL250004591417	1	26	-1.0	-33.72	264.65	0.77	-32.95
CC(C)C(=O)NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL250004591418	0	35	-1.0	-41.27	304.03	1.32	-39.95
CC(C)C(=O)NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL250004591418	1	35	-1.0	-41.31	303.97	1.31	-40.00
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004591419	0	27	-1.0	-37.67	256.93	0.91	-36.76
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004591419	1	27	-1.0	-37.65	256.99	0.93	-36.72
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591420	0	34	-1.0	-35.71	282.97	1.95	-33.76
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591420	1	34	-1.0	-35.66	283.03	1.97	-33.69
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591421	0	37	-1.0	-35.59	301.59	2.65	-32.94
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591421	1	37	-1.0	-35.56	301.65	2.67	-32.89
CN1C=C(Br)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591422	0	23	-1.0	-41.87	236.47	-0.33	-42.20
CN1C=C(Br)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591422	1	23	-1.0	-41.88	236.41	-0.34	-42.22
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL250004591423	0	25	-1.0	-39.48	248.00	2.29	-37.19
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL250004591423	1	25	-1.0	-39.47	248.06	2.30	-37.17
CN(CC=CC(=O)NCC1=N[N-]N=N1)CC(F)(F)F	REAL250004591424	0	31	-1.0	-38.94	281.01	-0.26	-39.20
CN(CC=CC(=O)NCC1=NN=N[N-]1)CC(F)(F)F	REAL250004591424	1	31	-1.0	-38.96	281.07	-0.24	-39.20
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004591425	0	32	-1.0	-38.21	278.15	1.13	-37.08
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004591425	1	32	-1.0	-38.22	278.21	1.14	-37.08
CC1(C)C(=O)NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004591426	0	34	-1.0	-38.02	294.87	0.75	-37.27
CC1(C)C(=O)NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004591426	1	34	-1.0	-38.02	294.93	0.77	-37.25
NS(=O)(=O)C1=NNC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591427	0	25	-1.0	-45.35	242.61	-6.26	-51.61
NS(=O)(=O)C1=NNC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591427	1	25	-1.0	-45.40	242.66	-6.24	-51.64
CC(C)(C)CCC1(O)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591428	0	42	-1.0	-37.45	327.53	0.78	-36.67
CC(C)(C)CCC1(O)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591428	1	42	-1.0	-37.48	327.60	0.79	-36.69
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004591429	0	29	-1.0	-39.65	265.72	-0.51	-40.16
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004591429	1	29	-1.0	-39.64	265.67	-0.52	-40.16
CC1(C)OC(=O)C2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004591430	0	33	-1.0	-50.62	286.27	3.84	-46.78
CC1(C)OC(=O)C2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004591430	1	33	-1.0	-50.64	286.32	3.85	-46.79
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591431	0	37	-1.0	-39.57	303.20	0.68	-38.89
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591431	1	37	-1.0	-39.57	303.26	0.69	-38.88
CCOC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004591432	0	31	-1.0	-37.47	285.65	1.11	-36.36
CCOC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004591432	1	31	-1.0	-37.46	285.59	1.10	-36.36
CC1=CC(Cl)=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004591433	0	28	-1.0	-38.78	268.23	2.94	-35.84
CC1=CC(Cl)=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004591433	1	28	-1.0	-38.82	268.29	2.96	-35.86
CC(C(=O)NCC1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004591434	0	34	-1.0	-39.05	293.43	2.86	-36.19
CC(C(=O)NCC1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004591434	1	34	-1.0	-39.04	293.49	2.87	-36.17
O=C(NCC1=N[N-]N=N1)C1=NOC(CN2CCCC2)=C1	REAL250004591435	0	34	-1.0	-38.13	292.65	-0.76	-38.89
O=C(NCC1=NN=N[N-]1)C1=NOC(CN2CCCC2)=C1	REAL250004591435	1	34	-1.0	-38.11	292.71	-0.75	-38.86
CN1C=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004591436	0	29	-1.0	-43.74	259.91	2.59	-41.15
CN1C=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004591436	1	29	-1.0	-43.77	259.86	2.57	-41.20
CC(O)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004591437	0	30	-1.0	-35.09	275.85	-0.02	-35.11
CC(O)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004591437	1	30	-1.0	-35.09	275.91	-0.01	-35.10
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004591438	0	23	-1.0	-33.36	246.64	2.32	-31.04
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004591438	1	23	-1.0	-33.39	246.70	2.33	-31.06
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=NC=C1Cl	REAL250004591439	0	22	-1.0	-35.59	242.07	0.21	-35.38
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=NC=C1Cl	REAL250004591439	1	22	-1.0	-35.58	242.01	0.20	-35.38
COC1=CC(Cl)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591440	0	27	-1.0	-36.27	257.76	1.06	-35.21
COC1=CC(Cl)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591440	1	27	-1.0	-36.23	257.82	1.08	-35.15
C#CCCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591441	0	32	-1.0	-37.41	290.10	2.82	-34.59
C#CCCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591441	1	32	-1.0	-37.39	290.16	2.83	-34.56
O=C(COC1=CC=C(Cl)C(F)=C1)NCC1=N[N-]N=N1	REAL250004591442	0	27	-1.0	-37.23	267.69	2.38	-34.85
O=C(COC1=CC=C(Cl)C(F)=C1)NCC1=NN=N[N-]1	REAL250004591442	1	27	-1.0	-37.15	267.75	2.40	-34.75
O=C(NCC1=NN=N[N-]1)C1=C(Cl)SC(Cl)=N1	REAL250004591443	0	19	-1.0	-36.43	229.88	-0.56	-36.99
O=C(NCC1=N[N-]N=N1)C1=C(Cl)SC(Cl)=N1	REAL250004591443	1	19	-1.0	-36.44	229.83	-0.58	-37.02
O=C(CCN1C(=O)CCNC1=S)NCC1=N[N-]N=N1	REAL250004591444	0	31	-1.0	-49.31	283.14	0.13	-49.18
O=C(CCN1C(=O)CCNC1=S)NCC1=NN=N[N-]1	REAL250004591444	1	31	-1.0	-49.33	283.20	0.14	-49.19
NS(=O)(=O)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591445	0	33	-1.0	-41.53	284.98	-4.74	-46.27
NS(=O)(=O)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591445	1	33	-1.0	-41.51	285.03	-4.73	-46.24
CN1C=NN(CCC(=O)NCC2=N[N-]N=N2)C1=O	REAL250004591446	0	29	-1.0	-45.73	265.81	0.89	-44.84
CN1C=NN(CCC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004591446	1	29	-1.0	-45.74	265.87	0.91	-44.83
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591447	0	30	-1.0	-40.98	277.22	-4.96	-45.94
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591447	1	30	-1.0	-41.00	277.28	-4.95	-45.95
O=C(NCC1=N[N-]N=N1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004591448	0	29	-1.0	-41.34	267.36	-0.08	-41.42
O=C(NCC1=NN=N[N-]1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004591448	1	29	-1.0	-41.32	267.42	-0.06	-41.38
O=C(CN1N=NC2=C1CCCC2)NCC1=N[N-]N=N1	REAL250004591449	0	32	-1.0	-43.23	274.19	0.37	-42.86
O=C(CN1N=NC2=C1CCCC2)NCC1=NN=N[N-]1	REAL250004591449	1	32	-1.0	-43.23	274.25	0.39	-42.84
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1NC(=O)C1CC1	REAL250004591450	0	34	-1.0	-37.79	293.88	2.18	-35.61
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1NC(=O)C1CC1	REAL250004591450	1	34	-1.0	-37.79	293.94	2.20	-35.59
CC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004591451	0	25	-1.0	-41.56	244.83	0.72	-40.84
CC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004591451	1	25	-1.0	-41.53	244.89	0.73	-40.80
O=C(CC1CCCS(=O)(=O)C1)NCC1=N[N-]N=N1	REAL250004591452	0	32	-1.0	-44.24	274.83	-1.78	-46.02
O=C(CC1CCCS(=O)(=O)C1)NCC1=NN=N[N-]1	REAL250004591452	1	32	-1.0	-44.23	274.89	-1.77	-46.00
COCCOCCC1=NC=C(C(=O)NCC2=N[N-]N=N2)N1	REAL250004591453	0	37	-1.0	-38.07	326.07	-1.45	-39.52
COCCOCCC1=NC=C(C(=O)NCC2=NN=N[N-]2)N1	REAL250004591453	1	37	-1.0	-38.11	326.13	-1.43	-39.54
CC(OCC1=CC=NC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591454	0	32	-1.0	-40.28	285.32	1.24	-39.04
CC(OCC1=CC=NC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591454	1	32	-1.0	-40.29	285.38	1.26	-39.03
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004591455	0	34	-1.0	-46.12	282.00	4.14	-41.98
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004591455	1	34	-1.0	-46.12	282.05	4.15	-41.97
O=C(NCC1=NN=N[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004591456	0	28	-1.0	-38.59	264.75	1.76	-36.83
O=C(NCC1=N[N-]N=N1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004591456	1	28	-1.0	-38.60	264.69	1.74	-36.86
O=C(CC1=CNC2=CN=CC=C12)NCC1=N[N-]N=N1	REAL250004591457	0	29	-1.0	-41.86	262.82	0.22	-41.64
O=C(CC1=CNC2=CN=CC=C12)NCC1=NN=N[N-]1	REAL250004591457	1	29	-1.0	-41.85	262.88	0.24	-41.61
NC(=O)C1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591458	0	33	-1.0	-41.88	292.13	-0.48	-42.36
NC(=O)C1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591458	1	33	-1.0	-41.85	292.18	-0.47	-42.32
CC1=C(C(=O)NCC2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004591459	0	30	-1.0	-38.14	286.13	3.64	-34.50
CC1=C(C(=O)NCC2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004591459	1	30	-1.0	-38.15	286.19	3.66	-34.49
COCCOCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591460	0	37	-1.0	-40.19	322.10	1.20	-38.99
COCCOCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591460	1	37	-1.0	-40.19	322.16	1.22	-38.97
O=C(NCC1=N[N-]N=N1)C1CCC2=CC=CC(O)=C21	REAL250004591461	0	31	-1.0	-41.43	268.33	0.16	-41.27
O=C(NCC1=NN=N[N-]1)C1CCC2=CC=CC(O)=C21	REAL250004591461	1	31	-1.0	-41.37	268.39	0.18	-41.19
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=O)CCCC2=C1	REAL250004591462	0	32	-1.0	-39.27	276.40	2.85	-36.42
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL250004591462	1	32	-1.0	-39.27	276.46	2.86	-36.41
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL250004591463	0	23	-1.0	-36.70	230.49	1.83	-34.87
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL250004591463	1	23	-1.0	-36.68	230.55	1.84	-34.84
O=C(NCC1=N[N-]N=N1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004591464	0	29	-1.0	-38.74	267.69	0.64	-38.10
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004591464	1	29	-1.0	-38.76	267.75	0.66	-38.10
O=C(NCC1=N[N-]N=N1)C1=NOC(CN2C=CC=N2)=C1	REAL250004591465	0	29	-1.0	-43.78	274.58	0.35	-43.43
O=C(NCC1=NN=N[N-]1)C1=NOC(CN2C=CC=N2)=C1	REAL250004591465	1	29	-1.0	-43.76	274.63	0.37	-43.39
CC1=CC=C2SN=C(C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004591466	0	28	-1.0	-40.41	263.66	1.92	-38.49
CC1=CC=C2SN=C(C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004591466	1	28	-1.0	-40.40	263.61	1.91	-38.49
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591467	0	36	-1.0	-39.72	310.77	1.66	-38.06
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591467	1	36	-1.0	-39.71	310.83	1.67	-38.04
COC(=O)C12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CC2	REAL250004591468	0	39	-1.0	-36.68	310.64	2.83	-33.85
COC(=O)C12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CC2	REAL250004591468	1	39	-1.0	-36.69	310.69	2.85	-33.84
CC1=CC=CC(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591469	0	26	-1.0	-39.22	250.56	2.05	-37.17
CC1=CC=CC(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591469	1	26	-1.0	-39.25	250.62	2.07	-37.18
COC1=CC=CC(OCCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591470	0	34	-1.0	-37.76	295.55	0.85	-36.91
COC1=CC=CC(OCCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591470	1	34	-1.0	-37.75	295.60	0.87	-36.88
CC1=NC(C2CC2)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591471	0	32	-1.0	-35.87	272.60	2.16	-33.71
CC1=NC(C2CC2)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591471	1	32	-1.0	-35.89	272.66	2.17	-33.72
CN(C)C1=CC=C(C2(C(=O)NCC3=N[N-]N=N3)CC2)C=C1	REAL250004591472	0	38	-1.0	-39.25	314.07	3.34	-35.91
CN(C)C1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CC2)C=C1	REAL250004591472	1	38	-1.0	-39.28	314.12	3.36	-35.92
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=N[N-]N=N1	REAL250004591473	0	34	-1.0	-43.61	292.72	1.16	-42.45
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=NN=N[N-]1	REAL250004591473	1	34	-1.0	-43.62	292.78	1.17	-42.45
CC(C)(C)OC1=CC=C(C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004591474	0	35	-1.0	-38.40	289.25	0.51	-37.89
CC(C)(C)OC1=CC=C(C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004591474	1	35	-1.0	-38.42	289.19	0.50	-37.92
O=C(NCC1=N[N-]N=N1)C1=CNC(C(F)(F)F)=C1	REAL250004591475	0	24	-1.0	-37.46	239.72	0.10	-37.36
O=C(NCC1=NN=N[N-]1)C1=CNC(C(F)(F)F)=C1	REAL250004591475	1	24	-1.0	-37.45	239.78	0.11	-37.34
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004591476	0	28	-1.0	-40.99	274.42	2.43	-38.56
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004591476	1	28	-1.0	-41.03	274.47	2.45	-38.58
CC1=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)N=C2C=C1	REAL250004591477	0	31	-1.0	-41.61	276.44	2.35	-39.26
CC1=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)N=C2C=C1	REAL250004591477	1	31	-1.0	-41.61	276.38	2.33	-39.28
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)N1C	REAL250004591478	0	30	-1.0	-36.29	268.64	1.21	-35.08
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)N1C	REAL250004591478	1	30	-1.0	-36.27	268.70	1.23	-35.04
CCS(=O)(=O)NC(C)C(=O)NCC1=N[N-]N=N1	REAL250004591479	0	30	-1.0	-44.12	269.63	-4.13	-48.25
CCS(=O)(=O)NC(C)C(=O)NCC1=NN=N[N-]1	REAL250004591479	1	30	-1.0	-44.13	269.69	-4.10	-48.23
CC1=CC(=O)NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C12	REAL250004591481	0	32	-1.0	-40.22	282.37	0.91	-39.31
CC1=CC(=O)NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C12	REAL250004591481	1	32	-1.0	-40.25	282.43	0.92	-39.33
CS(=O)(=O)C1(C(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004591482	0	33	-1.0	-40.42	276.27	-3.47	-43.89
CS(=O)(=O)C1(C(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004591482	1	33	-1.0	-40.44	276.33	-3.45	-43.89
O=C(CC1=CC=CC(Cl)=C1F)NCC1=N[N-]N=N1	REAL250004591483	0	26	-1.0	-39.48	257.82	2.46	-37.02
O=C(CC1=CC=CC(Cl)=C1F)NCC1=NN=N[N-]1	REAL250004591483	1	26	-1.0	-39.47	257.88	2.47	-37.00
CC(C)OC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004591484	0	36	-1.0	-37.32	310.91	3.77	-33.55
CC(C)OC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004591484	1	36	-1.0	-37.32	310.97	3.78	-33.54
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004591485	0	35	-1.0	-40.26	293.25	1.51	-38.75
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004591485	1	35	-1.0	-40.28	293.31	1.53	-38.75
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL250004591486	0	27	-1.0	-37.78	271.62	0.06	-37.72
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL250004591486	1	27	-1.0	-37.80	271.69	0.06	-37.74
CC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)S1	REAL250004591487	0	29	-1.0	-35.93	269.69	2.62	-33.31
CC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)S1	REAL250004591487	1	29	-1.0	-35.92	269.75	2.63	-33.29
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CCCC2)C=C1	REAL250004591488	0	36	-1.0	-36.46	295.05	4.41	-32.05
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL250004591488	1	36	-1.0	-36.48	295.11	4.43	-32.05
CC1=CC=C2SC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL250004591489	0	29	-1.0	-38.08	272.02	3.30	-34.78
CC1=CC=C2SC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL250004591489	1	29	-1.0	-38.10	272.08	3.32	-34.78
O=C(CCCC1=CC=CC=C1Cl)NCC1=N[N-]N=N1	REAL250004591490	0	32	-1.0	-38.34	291.77	3.88	-34.46
O=C(CCCC1=CC=CC=C1Cl)NCC1=NN=N[N-]1	REAL250004591490	1	32	-1.0	-38.32	291.83	3.90	-34.42
CC1=CC(=O)C=C(C)N1CCCC(=O)NCC1=N[N-]N=N1	REAL250004591491	0	38	-1.0	-50.96	315.52	2.88	-48.08
CC1=CC(=O)C=C(C)N1CCCC(=O)NCC1=NN=N[N-]1	REAL250004591491	1	38	-1.0	-50.94	315.57	2.90	-48.04
O=C(COC1=CC(F)=CC(F)=C1)NCC1=N[N-]N=N1	REAL250004591492	0	27	-1.0	-36.66	257.93	1.95	-34.71
O=C(COC1=CC(F)=CC(F)=C1)NCC1=NN=N[N-]1	REAL250004591492	1	27	-1.0	-36.65	257.98	1.96	-34.69
O=C(NCC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2F)C1	REAL250004591493	0	35	-1.0	-37.17	298.59	1.83	-35.34
O=C(NCC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL250004591493	1	35	-1.0	-37.13	298.64	1.85	-35.28
COC(=O)CC1=C(C(=O)NCC2=N[N-]N=N2)C(C)=CO1	REAL250004591494	0	32	-1.0	-42.61	295.63	1.45	-41.16
COC(=O)CC1=C(C(=O)NCC2=NN=N[N-]2)C(C)=CO1	REAL250004591494	1	32	-1.0	-42.62	295.69	1.46	-41.16
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CN=C2)CCCC1	REAL250004591495	0	35	-1.0	-36.79	284.77	2.75	-34.04
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CN=C2)CCCC1	REAL250004591495	1	35	-1.0	-36.79	284.71	2.73	-34.06
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CCCC2)C=C1	REAL250004591496	0	34	-1.0	-36.33	292.26	4.58	-31.75
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CCCC2)C=C1	REAL250004591496	1	34	-1.0	-36.29	292.32	4.59	-31.70
CC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004591497	0	35	-1.0	-35.79	295.02	3.77	-32.02
CC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004591497	1	35	-1.0	-35.79	295.08	3.79	-32.00
O=C(NCC1=NN=N[N-]1)C1=CON=C1C(F)(F)F	REAL250004591498	0	22	-1.0	-36.80	228.24	-0.31	-37.11
O=C(NCC1=N[N-]N=N1)C1=CON=C1C(F)(F)F	REAL250004591498	1	22	-1.0	-36.78	228.19	-0.32	-37.10
CN(C)C1=NC(N)=NC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591499	0	30	-1.0	-39.84	271.30	1.99	-37.85
CN(C)C1=NC(N)=NC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591499	1	30	-1.0	-39.85	271.24	1.98	-37.87
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004591500	0	34	-1.0	-39.64	290.76	-0.25	-39.89
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004591500	1	34	-1.0	-39.67	290.82	-0.24	-39.91
O=C(C=CCN1CCOCC1)NCC1=N[N-]N=N1	REAL250004591501	0	33	-1.0	-37.36	279.34	-1.93	-39.29
O=C(C=CCN1CCOCC1)NCC1=NN=N[N-]1	REAL250004591501	1	33	-1.0	-37.39	279.40	-1.91	-39.30
COCC1(C(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004591502	0	34	-1.0	-37.53	270.78	-0.82	-38.35
COCC1(C(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004591502	1	34	-1.0	-37.54	270.84	-0.81	-38.35
CSCC1=CC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004591503	0	29	-1.0	-41.64	267.78	1.41	-40.23
CSCC1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004591503	1	29	-1.0	-41.67	267.73	1.40	-40.27
O=C(NCC1=N[N-]N=N1)C1CCCCCC(=O)C1	REAL250004591504	0	34	-1.0	-36.77	264.97	1.60	-35.17
O=C(NCC1=NN=N[N-]1)C1CCCCCC(=O)C1	REAL250004591504	1	34	-1.0	-36.75	265.03	1.61	-35.14
CN(C)S(=O)(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004591505	0	29	-1.0	-40.44	266.55	-5.12	-45.56
CN(C)S(=O)(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004591505	1	29	-1.0	-40.45	266.61	-5.11	-45.56
O=C(CC1=CN=CC=C1Cl)NCC1=NN=N[N-]1	REAL250004591506	0	25	-1.0	-37.86	245.59	0.58	-37.28
O=C(CC1=CN=CC=C1Cl)NCC1=N[N-]N=N1	REAL250004591506	1	25	-1.0	-37.84	245.53	0.57	-37.27
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1OC1CC1	REAL250004591507	0	31	-1.0	-42.88	269.93	3.47	-39.41
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1OC1CC1	REAL250004591507	1	31	-1.0	-42.89	269.99	3.49	-39.40
O=C(NCC1=N[N-]N=N1)C1=CN=C2NC(=O)NC2=C1	REAL250004591508	0	26	-1.0	-36.96	242.23	-2.72	-39.68
O=C(NCC1=NN=N[N-]1)C1=CN=C2NC(=O)NC2=C1	REAL250004591508	1	26	-1.0	-36.96	242.29	-2.71	-39.67
CCOC(=O)C(C)(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591509	0	34	-1.0	-35.30	284.90	1.76	-33.54
CCOC(=O)C(C)(C)CC(=O)NCC1=NN=N[N-]1	REAL250004591509	1	34	-1.0	-35.32	284.96	1.77	-33.55
CCOC(=O)NC1=C(C(=O)NCC2=N[N-]N=N2)N=CS1	REAL250004591510	0	30	-1.0	-38.70	284.47	-2.06	-40.76
CCOC(=O)NC1=C(C(=O)NCC2=NN=N[N-]2)N=CS1	REAL250004591510	1	30	-1.0	-38.70	284.52	-2.05	-40.75
O=C(NCC1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL250004591511	0	25	-1.0	-34.85	247.30	0.61	-34.24
O=C(NCC1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL250004591511	1	25	-1.0	-34.85	247.24	0.60	-34.25
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)N2	REAL250004591512	0	27	-1.0	-41.37	245.12	-1.73	-43.10
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)N2	REAL250004591512	1	27	-1.0	-41.41	245.06	-1.75	-43.16
CS(=O)(=O)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591513	0	27	-1.0	-45.57	265.47	-4.96	-50.53
CS(=O)(=O)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591513	1	27	-1.0	-45.62	265.42	-4.97	-50.59
O=C(NCC1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL250004591514	0	28	-1.0	-39.12	270.69	-2.58	-41.70
O=C(NCC1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL250004591514	1	28	-1.0	-39.14	270.63	-2.60	-41.74
CC(C)C1=C(C(=O)NCC2=NN=N[N-]2)N=CS1	REAL250004591515	0	28	-1.0	-40.01	256.68	0.40	-39.61
CC(C)C1=C(C(=O)NCC2=N[N-]N=N2)N=CS1	REAL250004591515	1	28	-1.0	-40.04	256.62	0.38	-39.66
CC1=CC=CC=C1C1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004591516	0	39	-1.0	-36.58	302.86	4.34	-32.24
CC1=CC=CC=C1C1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004591516	1	39	-1.0	-36.62	302.92	4.35	-32.27
O=C(NCC1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL250004591517	0	33	-1.0	-40.54	285.41	-1.59	-42.13
O=C(NCC1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL250004591517	1	33	-1.0	-40.58	285.35	-1.60	-42.18
CN1C=C(C2=NC=CC=C2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591518	0	32	-1.0	-42.30	283.31	0.71	-41.59
CN1C=C(C2=NC=CC=C2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591518	1	32	-1.0	-42.31	283.26	0.70	-41.61
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)N1	REAL250004591519	0	30	-1.0	-36.76	273.32	1.69	-35.07
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)N1	REAL250004591519	1	30	-1.0	-36.78	273.38	1.71	-35.07
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC(=O)C1	REAL250004591520	0	32	-1.0	-39.29	281.70	2.59	-36.70
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC(=O)C1	REAL250004591520	1	32	-1.0	-39.32	281.76	2.61	-36.71
CC1=CC=CC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591521	0	26	-1.0	-39.01	254.84	2.17	-36.84
CC1=CC=CC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591521	1	26	-1.0	-39.01	254.90	2.18	-36.83
O=C(NCC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004591522	0	28	-1.0	-41.79	267.52	2.22	-39.57
O=C(NCC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004591522	1	28	-1.0	-41.85	267.47	2.20	-39.65
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NO1	REAL250004591523	0	22	-1.0	-32.50	231.77	-0.34	-32.84
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NO1	REAL250004591523	1	22	-1.0	-32.52	231.71	-0.35	-32.87
O=C(NCC1=NN=N[N-]1)C1=NC2=CN=CC=C2S1	REAL250004591524	0	24	-1.0	-37.72	241.77	-0.99	-38.71
O=C(NCC1=N[N-]N=N1)C1=NC2=CN=CC=C2S1	REAL250004591524	1	24	-1.0	-37.74	241.71	-1.01	-38.75
CCOC(=O)C(CC(=O)NCC1=N[N-]N=N1)C(C)=O	REAL250004591525	0	33	-1.0	-40.11	294.84	1.10	-39.01
CCOC(=O)C(CC(=O)NCC1=NN=N[N-]1)C(C)=O	REAL250004591525	1	33	-1.0	-40.10	294.89	1.12	-38.98
O=C(NCC1=N[N-]N=N1)C1CC(C2=CC=CC=C2)OC1=O	REAL250004591527	0	33	-1.0	-40.06	292.24	3.17	-36.89
O=C(NCC1=NN=N[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL250004591527	1	33	-1.0	-40.05	292.30	3.18	-36.87
CC1=C2SC(C(=O)NCC3=N[N-]N=N3)=CC2=CC=C1	REAL250004591528	0	29	-1.0	-38.74	270.95	3.27	-35.47
CC1=C2SC(C(=O)NCC3=NN=N[N-]3)=CC2=CC=C1	REAL250004591528	1	29	-1.0	-38.73	271.00	3.29	-35.44
CN1N=NC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591529	0	22	-1.0	-34.61	233.33	-1.99	-36.60
CN1N=NC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591529	1	22	-1.0	-34.59	233.27	-2.01	-36.60
O=C(NCC1=NN=N[N-]1)C1=NC=C(Br)S1	REAL250004591531	0	19	-1.0	-34.58	220.67	-0.95	-35.53
O=C(NCC1=N[N-]N=N1)C1=NC=C(Br)S1	REAL250004591531	1	19	-1.0	-34.61	220.62	-0.97	-35.58
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004591532	0	29	-1.0	-46.61	258.07	0.68	-45.93
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004591532	1	29	-1.0	-46.62	258.01	0.66	-45.96
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCC1=N[N-]N=N1	REAL250004591533	0	36	-1.0	-37.68	312.07	3.84	-33.84
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCC1=NN=N[N-]1	REAL250004591533	1	36	-1.0	-37.67	312.13	3.85	-33.82
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)N1	REAL250004591534	0	27	-1.0	-35.69	255.66	-0.42	-36.11
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)N1	REAL250004591534	1	27	-1.0	-35.69	255.72	-0.40	-36.09
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004591535	0	42	-1.0	-34.89	332.68	0.31	-34.58
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004591535	1	42	-1.0	-34.91	332.74	0.33	-34.58
CN1C=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CN=C21	REAL250004591536	0	28	-1.0	-46.31	254.74	1.89	-44.42
CN1C=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CN=C21	REAL250004591536	1	28	-1.0	-46.30	254.68	1.87	-44.43
O=C(NCC1=N[N-]N=N1)C1=C(C2CC2)N=NS1	REAL250004591537	0	25	-1.0	-33.38	243.05	0.02	-33.36
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CCCC1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004591540	1	31	-1.0	-36.05	273.57	-1.16	-37.21
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CC(C)C(=O)N[C@@H](CO)C(=O)NCC1=N[N-]N=N1	REAL250004591547	0	33	-1.0	-38.05	285.16	-4.38	-42.43
CC(C)C(=O)N[C@@H](CO)C(=O)NCC1=NN=N[N-]1	REAL250004591547	1	33	-1.0	-38.04	285.22	-4.36	-42.40
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CC(C)(C)C1=NC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591552	1	33	-1.0	-34.85	283.43	1.22	-33.63
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CC(CC1=CN=CC2=CC=CC=C21)C(=O)NCC1=NN=N[N-]1	REAL250004591557	1	37	-1.0	-38.15	303.88	3.31	-34.84
CN1C(CC(=O)NCC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL250004591558	0	35	-1.0	-46.62	305.06	3.26	-43.36
CN1C(CC(=O)NCC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL250004591558	1	35	-1.0	-46.61	305.12	3.28	-43.33
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COC(C)(C)C1=NC(C)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591564	0	35	-1.0	-36.81	304.54	-0.09	-36.90
COC(C)(C)C1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591564	1	35	-1.0	-36.87	304.60	-0.08	-36.95
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CC(C(=O)NCC1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL250004591568	0	32	-1.0	-39.60	285.90	0.85	-38.75
CC(C(=O)NCC1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL250004591568	1	32	-1.0	-39.60	285.95	0.86	-38.74
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O=C(NCC1=NN=N[N-]1)C1CCC2=NN=NN2CC1	REAL250004591570	1	31	-1.0	-43.45	260.80	-0.34	-43.79
CC1(C2=NC=C(C(=O)NCC3=NN=N[N-]3)S2)OCCO1	REAL250004591571	0	31	-1.0	-38.70	287.99	-1.29	-39.99
CC1(C2=NC=C(C(=O)NCC3=N[N-]N=N3)S2)OCCO1	REAL250004591571	1	31	-1.0	-38.68	287.93	-1.30	-39.98
O=C(CCCC(O)C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004591572	0	36	-1.0	-39.02	307.68	1.17	-37.85
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591574	0	34	-1.0	-39.27	293.59	2.57	-36.70
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591574	1	34	-1.0	-39.26	293.65	2.59	-36.67
CC(C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004591575	0	32	-1.0	-37.86	286.52	3.42	-34.44
CC(C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004591575	1	32	-1.0	-37.85	286.58	3.44	-34.41
CC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591576	0	31	-1.0	-37.22	269.16	2.31	-34.91
CC1=NC2=CC=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591576	1	31	-1.0	-37.21	269.10	2.30	-34.91
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591577	0	36	-1.0	-37.44	308.01	3.95	-33.49
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591577	1	36	-1.0	-37.47	308.06	3.96	-33.51
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(C2CC2)=N1	REAL250004591578	0	32	-1.0	-36.85	275.35	2.39	-34.46
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(C2CC2)=N1	REAL250004591578	1	32	-1.0	-36.83	275.40	2.41	-34.42
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004591579	0	28	-1.0	-40.01	271.22	4.01	-36.00
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004591579	1	28	-1.0	-39.96	271.28	4.02	-35.94
CC(C(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004591580	0	34	-1.0	-40.00	282.43	2.55	-37.45
CC(C(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004591580	1	34	-1.0	-40.02	282.49	2.57	-37.45
O=C(COCC1=CC=CC(Cl)=C1)NCC1=N[N-]N=N1	REAL250004591581	0	30	-1.0	-39.63	287.39	2.82	-36.81
O=C(COCC1=CC=CC(Cl)=C1)NCC1=NN=N[N-]1	REAL250004591581	1	30	-1.0	-39.61	287.45	2.84	-36.77
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CO1	REAL250004591582	0	20	-1.0	-35.36	217.50	-0.12	-35.48
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CO1	REAL250004591582	1	20	-1.0	-35.37	217.56	-0.11	-35.48
C[C@H]1CC[C@@](C)(C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004591583	0	38	-1.0	-36.68	280.12	3.31	-33.37
C[C@H]1CC[C@@](C)(C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004591583	1	38	-1.0	-36.68	280.18	3.32	-33.36
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL250004591584	0	33	-1.0	-44.65	284.02	-2.37	-47.02
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL250004591584	1	33	-1.0	-44.65	284.08	-2.35	-47.00
CCON1CCC(CC(=O)NCC2=N[N-]N=N2)CC1	REAL250004591585	0	38	-1.0	-36.69	301.39	0.27	-36.42
CCON1CCC(CC(=O)NCC2=NN=N[N-]2)CC1	REAL250004591585	1	38	-1.0	-36.69	301.45	0.28	-36.41
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591586	0	35	-1.0	-34.89	303.91	4.08	-30.81
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591586	1	35	-1.0	-34.88	303.97	4.10	-30.78
O=C(NCC1=NN=N[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL250004591587	0	26	-1.0	-47.81	254.83	0.51	-47.30
O=C(NCC1=N[N-]N=N1)C1=C(N2C=CN=N2)C=CS1	REAL250004591587	1	26	-1.0	-47.82	254.77	0.50	-47.32
O=C(C=CC1=CC=C(C2CC2)C=C1)NCC1=N[N-]N=N1	REAL250004591588	0	34	-1.0	-37.06	295.28	4.54	-32.52
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COC(=O)C1=C(CCC(=O)NCC2=NN=N[N-]2)OC=N1	REAL250004591589	0	31	-1.0	-42.11	286.18	-1.96	-44.07
COC(=O)C1=C(CCC(=O)NCC2=N[N-]N=N2)OC=N1	REAL250004591589	1	31	-1.0	-42.11	286.13	-1.97	-44.08
NS(=O)(=O)C1=C(C(=O)NCC2=N[N-]N=N2)SC=C1	REAL250004591591	0	25	-1.0	-40.99	251.49	-3.64	-44.63
NS(=O)(=O)C1=C(C(=O)NCC2=NN=N[N-]2)SC=C1	REAL250004591591	1	25	-1.0	-40.96	251.55	-3.63	-44.59
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591592	1	29	-1.0	-45.89	274.57	-5.26	-51.15
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591592	1	29	-1.0	-45.88	274.63	-5.25	-51.13
CCC1(CN2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)COC1	REAL250004591595	0	36	-1.0	-43.68	305.48	-0.89	-44.57
CCC1(CN2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)COC1	REAL250004591595	1	36	-1.0	-43.67	305.42	-0.91	-44.58
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250004591597	0	24	-1.0	-36.50	243.41	-1.33	-37.83
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL250004591597	1	24	-1.0	-36.49	243.36	-1.34	-37.83
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=N[N-]N=N1	REAL250004591598	0	37	-1.0	-46.38	306.70	1.29	-45.09
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=NN=N[N-]1	REAL250004591598	1	37	-1.0	-46.39	306.75	1.30	-45.09
CNC1=NC=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004591599	0	32	-1.0	-40.49	281.44	1.46	-39.03
CNC1=NC=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004591599	1	32	-1.0	-40.49	281.38	1.44	-39.05
CN1N=C(C(=O)NCC2=NN=N[N-]2)C=C1Br	REAL250004591600	0	23	-1.0	-38.00	237.53	-0.53	-38.53
CN1N=C(C(=O)NCC2=N[N-]N=N2)C=C1Br	REAL250004591600	1	23	-1.0	-38.02	237.47	-0.55	-38.57
COC1=CC(Cl)=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591601	0	27	-1.0	-38.13	261.74	1.10	-37.03
COC1=CC(Cl)=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591601	1	27	-1.0	-38.10	261.80	1.12	-36.98
CCSC1=CC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004591602	0	29	-1.0	-42.65	265.16	1.38	-41.27
CCSC1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004591602	1	29	-1.0	-42.67	265.10	1.36	-41.31
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004591603	0	32	-1.0	-39.93	270.71	4.05	-35.88
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004591603	1	32	-1.0	-39.95	270.66	4.03	-35.92
O=C(NCC1=N[N-]N=N1)C1CC1(F)C1=CC=CC=C1	REAL250004591604	0	30	-1.0	-39.74	267.87	3.28	-36.46
O=C(NCC1=NN=N[N-]1)C1CC1(F)C1=CC=CC=C1	REAL250004591604	1	30	-1.0	-39.72	267.93	3.29	-36.43
CC1=CC=CC2=C1OC(C(=O)NCC1=N[N-]N=N1)C2	REAL250004591605	0	31	-1.0	-39.58	271.72	2.78	-36.80
CC1=CC=CC2=C1OC(C(=O)NCC1=NN=N[N-]1)C2	REAL250004591605	1	31	-1.0	-39.56	271.78	2.79	-36.77
CN1C=C(C2=CC=C(C(=O)NCC3=NN=N[N-]3)O2)C=N1	REAL250004591606	0	30	-1.0	-39.75	280.50	0.89	-38.86
CN1C=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)O2)C=N1	REAL250004591606	1	30	-1.0	-39.75	280.44	0.87	-38.88
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=N[N-]N=N1	REAL250004591607	0	30	-1.0	-38.75	284.88	2.32	-36.43
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=NN=N[N-]1	REAL250004591607	1	30	-1.0	-38.75	284.94	2.34	-36.41
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591608	0	33	-1.0	-36.41	291.67	2.56	-33.85
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591608	1	33	-1.0	-36.41	291.62	2.55	-33.86
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL250004591609	0	31	-1.0	-39.06	275.12	0.42	-38.64
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL250004591609	1	31	-1.0	-39.07	275.17	0.43	-38.64
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004591610	0	40	-1.0	-38.95	322.75	3.35	-35.60
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004591610	1	40	-1.0	-38.96	322.80	3.37	-35.59
CCC(O)(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004591612	0	36	-1.0	-35.55	292.46	1.59	-33.96
CCC(O)(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004591612	1	36	-1.0	-35.55	292.52	1.61	-33.94
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL250004591613	0	30	-1.0	-37.17	279.68	2.36	-34.81
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL250004591613	1	30	-1.0	-37.15	279.73	2.38	-34.77
CC(=O)C1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591614	0	24	-1.0	-35.85	243.56	-0.91	-36.76
CC(=O)C1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591614	1	24	-1.0	-35.90	243.61	-0.89	-36.79
CN1N=CC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591615	0	23	-1.0	-35.12	238.49	-0.52	-35.64
CN1N=CC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591615	1	23	-1.0	-35.13	238.44	-0.53	-35.66
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CN1	REAL250004591616	0	31	-1.0	-39.80	274.40	2.70	-37.10
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CN1	REAL250004591616	1	31	-1.0	-39.77	274.35	2.69	-37.08
CCCCCCOC(C)C(=O)NCC1=N[N-]N=N1	REAL250004591617	0	38	-1.0	-37.32	316.53	3.10	-34.22
CCCCCCOC(C)C(=O)NCC1=NN=N[N-]1	REAL250004591617	1	38	-1.0	-37.35	316.59	3.11	-34.24
O=C(CC1CSC2=CC=CC=C2O1)NCC1=N[N-]N=N1	REAL250004591618	0	32	-1.0	-41.10	288.88	3.26	-37.84
O=C(CC1CSC2=CC=CC=C2O1)NCC1=NN=N[N-]1	REAL250004591618	1	32	-1.0	-41.08	288.94	3.28	-37.80
O=C(NCC1=NN=N[N-]1)C1=NC2=CC=NC=C2C=C1	REAL250004591619	0	27	-1.0	-41.34	249.96	-0.09	-41.43
O=C(NCC1=N[N-]N=N1)C1=NC2=CC=NC=C2C=C1	REAL250004591619	1	27	-1.0	-41.34	249.90	-0.11	-41.45
C[C@]1(C(=O)NCC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL250004591620	0	33	-1.0	-36.86	276.28	3.69	-33.17
C[C@]1(C(=O)NCC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250004591620	1	33	-1.0	-36.87	276.33	3.71	-33.16
CC1=C(CCC(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004591621	0	28	-1.0	-36.78	261.56	0.47	-36.31
CC1=C(CCC(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004591621	1	28	-1.0	-36.79	261.62	0.48	-36.31
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004591622	0	36	-1.0	-39.00	314.36	5.69	-33.31
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004591622	1	36	-1.0	-39.00	314.42	5.71	-33.29
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004591623	0	32	-1.0	-41.52	284.52	1.67	-39.85
CC1=CC=CC=C1N1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004591623	1	32	-1.0	-41.53	284.46	1.66	-39.87
CCOC1=CC=C(CC(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591624	0	39	-1.0	-36.67	324.35	3.41	-33.26
CCOC1=CC=C(CC(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591624	1	39	-1.0	-36.66	324.41	3.44	-33.22
O=C(NCC1=N[N-]N=N1)C1CCC2=CC=CC=C2O1	REAL250004591625	0	31	-1.0	-38.76	268.05	2.94	-35.82
O=C(NCC1=NN=N[N-]1)C1CCC2=CC=CC=C2O1	REAL250004591625	1	31	-1.0	-38.75	268.11	2.96	-35.79
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004591626	0	32	-1.0	-38.90	292.32	3.95	-34.95
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004591626	1	32	-1.0	-38.89	292.38	3.96	-34.93
CC1(C)CC(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004591627	0	37	-1.0	-37.64	301.47	2.98	-34.66
CC1(C)CC(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004591627	1	37	-1.0	-37.67	301.52	3.00	-34.67
CCCN1CC(C(=O)NCC2=N[N-]N=N2)CC1=O	REAL250004591628	0	33	-1.0	-38.57	282.06	0.55	-38.02
CCCN1CC(C(=O)NCC2=NN=N[N-]2)CC1=O	REAL250004591628	1	33	-1.0	-38.55	282.12	0.57	-37.98
CN1N=C(C(=O)NCC2=N[N-]N=N2)C2=C1CCCC2	REAL250004591629	0	33	-1.0	-43.64	277.78	1.38	-42.26
CN1N=C(C(=O)NCC2=NN=N[N-]2)C2=C1CCCC2	REAL250004591629	1	33	-1.0	-43.63	277.84	1.40	-42.23
CCC(CC)OC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591630	0	39	-1.0	-37.11	316.30	3.48	-33.63
CCC(CC)OC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591630	1	39	-1.0	-37.08	316.36	3.50	-33.58
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591631	0	31	-1.0	-40.15	284.94	3.66	-36.49
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591631	1	31	-1.0	-40.17	284.99	3.67	-36.50
CS(=O)(=O)C1=CC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004591632	0	28	-1.0	-44.32	256.83	-1.88	-46.20
CS(=O)(=O)C1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004591632	1	28	-1.0	-44.28	256.78	-1.89	-46.17
COC(=O)[C@@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004591633	0	32	-1.0	-41.04	274.41	1.46	-39.58
COC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004591633	1	32	-1.0	-41.04	274.47	1.48	-39.56
O=C(NCC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=N1	REAL250004591634	0	35	-1.0	-39.55	303.51	2.17	-37.38
O=C(NCC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL250004591634	1	35	-1.0	-39.56	303.57	2.19	-37.37
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004591635	0	30	-1.0	-36.10	280.83	3.79	-32.31
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004591635	1	30	-1.0	-36.09	280.88	3.81	-32.28
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004591636	0	34	-1.0	-40.13	292.49	2.62	-37.51
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004591636	1	34	-1.0	-40.12	292.54	2.64	-37.48
CCC1=CC=CC=C1N1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004591637	0	35	-1.0	-41.53	303.40	2.43	-39.10
CCC1=CC=CC=C1N1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004591637	1	35	-1.0	-41.53	303.34	2.42	-39.11
CC1=CC(Cl)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591638	0	25	-1.0	-34.87	239.71	0.57	-34.30
CC1=CC(Cl)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591638	1	25	-1.0	-34.86	239.77	0.58	-34.28
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL250004591639	0	29	-1.0	-41.75	272.00	0.66	-41.09
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL250004591639	1	29	-1.0	-41.73	272.06	0.68	-41.05
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004591640	0	28	-1.0	-41.29	263.91	-0.83	-42.12
O=C(NCC1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004591640	1	28	-1.0	-41.27	263.86	-0.84	-42.11
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2CCC2)=N1	REAL250004591641	0	33	-1.0	-38.97	282.18	1.66	-37.31
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2CCC2)=N1	REAL250004591641	1	33	-1.0	-38.91	282.24	1.68	-37.23
O=C(CC1=CC=CC(C2CC2)=C1)NCC1=N[N-]N=N1	REAL250004591642	0	33	-1.0	-37.49	285.40	4.02	-33.47
O=C(CC1=CC=CC(C2CC2)=C1)NCC1=NN=N[N-]1	REAL250004591642	1	33	-1.0	-37.50	285.46	4.04	-33.46
COCCN1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004591643	0	29	-1.0	-40.81	267.93	-2.51	-43.32
COCCN1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004591643	1	29	-1.0	-40.82	267.87	-2.53	-43.35
O=C(NCC1=N[N-]N=N1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004591644	0	37	-1.0	-39.36	293.42	2.31	-37.05
O=C(NCC1=NN=N[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004591644	1	37	-1.0	-39.32	293.48	2.33	-36.99
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CCCC1	REAL250004591645	0	29	-1.0	-35.15	251.58	1.81	-33.34
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CCCC1	REAL250004591645	1	29	-1.0	-35.16	251.64	1.83	-33.33
COC1=CC=C2ON=C(CC(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004591646	0	32	-1.0	-43.11	289.09	0.53	-42.58
COC1=CC=C2ON=C(CC(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004591646	1	32	-1.0	-43.07	289.14	0.55	-42.52
O=C(CC1=NOC2=CC=C(F)C=C21)NCC1=N[N-]N=N1	REAL250004591647	0	28	-1.0	-40.85	266.04	1.31	-39.54
O=C(CC1=NOC2=CC=C(F)C=C21)NCC1=NN=N[N-]1	REAL250004591647	1	28	-1.0	-40.84	266.09	1.32	-39.52
COC1CCCCN(CC(=O)NCC2=N[N-]N=N2)C1=O	REAL250004591648	0	37	-1.0	-41.72	296.57	0.52	-41.20
COC1CCCCN(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004591648	1	37	-1.0	-41.71	296.63	0.54	-41.17
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591649	0	40	-1.0	-43.97	328.19	1.05	-42.92
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591649	1	40	-1.0	-43.94	328.25	1.07	-42.87
CS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591650	0	26	-1.0	-43.10	266.30	-2.16	-45.26
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591650	1	26	-1.0	-43.10	266.35	-2.15	-45.25
CN1N=C(CC(=O)NCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004591651	0	32	-1.0	-42.84	286.13	1.79	-41.05
CN1N=C(CC(=O)NCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004591651	1	32	-1.0	-42.87	286.19	1.80	-41.07
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004591652	0	31	-1.0	-39.88	274.67	3.22	-36.66
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004591652	1	31	-1.0	-39.89	274.72	3.24	-36.65
CC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004591653	0	34	-1.0	-38.91	285.33	1.83	-37.08
CC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004591653	1	34	-1.0	-38.93	285.27	1.82	-37.11
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004591654	0	33	-1.0	-38.88	285.47	3.39	-35.49
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004591654	1	33	-1.0	-38.88	285.41	3.37	-35.51
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1CCOCC1	REAL250004591655	0	34	-1.0	-38.02	285.80	-0.90	-38.92
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1CCOCC1	REAL250004591655	1	34	-1.0	-38.02	285.86	-0.89	-38.91
CC1CCC(C)(C=CC(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004591656	0	42	-1.0	-36.28	316.12	3.82	-32.46
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CCOCN1N=C(C)C(CC(=O)NCC2=N[N-]N=N2)=C1C	REAL250004591670	0	39	-1.0	-42.05	332.77	0.20	-41.85
CCOCN1N=C(C)C(CC(=O)NCC2=NN=N[N-]2)=C1C	REAL250004591670	1	39	-1.0	-42.03	332.83	0.22	-41.81
CC(=CC1CCC(C)CC1)C(=O)NCC1=N[N-]N=N1	REAL250004591671	0	39	-1.0	-36.04	301.12	3.91	-32.13
CC(=CC1CCC(C)CC1)C(=O)NCC1=NN=N[N-]1	REAL250004591671	1	39	-1.0	-36.03	301.17	3.93	-32.10
COC1=CC2=NC=C(C(=O)NCC3=NN=N[N-]3)N2C=C1	REAL250004591672	0	30	-1.0	-39.56	266.70	0.88	-38.68
COC1=CC2=NC=C(C(=O)NCC3=N[N-]N=N3)N2C=C1	REAL250004591672	1	30	-1.0	-39.54	266.64	0.86	-38.68
COC1=CC=CC(S(=O)CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591673	0	32	-1.0	-49.89	296.21	-0.70	-50.59
COC1=CC=CC(S(=O)CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591673	1	32	-1.0	-49.90	296.26	-0.69	-50.59
CC1=C2OC=C(C(=O)NCC3=NN=N[N-]3)C2=CC=C1	REAL250004591674	0	29	-1.0	-39.67	261.72	2.26	-37.41
CC1=C2OC=C(C(=O)NCC3=N[N-]N=N3)C2=CC=C1	REAL250004591674	1	29	-1.0	-39.69	261.67	2.25	-37.44
CCC(CC1=CC=CC=C1C)C(=O)NCC1=N[N-]N=N1	REAL250004591675	0	38	-1.0	-37.04	303.10	4.36	-32.68
CCC(CC1=CC=CC=C1C)C(=O)NCC1=NN=N[N-]1	REAL250004591675	1	38	-1.0	-37.06	303.16	4.38	-32.68
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CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(Br)O1	REAL250004591678	0	23	-1.0	-34.50	234.92	0.74	-33.76
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CC(=O)NC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591680	0	33	-1.0	-42.16	292.30	0.82	-41.34
CC(=O)NC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591680	1	33	-1.0	-42.18	292.36	0.84	-41.34
COC(=O)N1CC2CCC1C(C(=O)NCC1=N[N-]N=N1)C2	REAL250004591681	0	38	-1.0	-39.92	303.92	1.12	-38.80
COC(=O)N1CC2CCC1C(C(=O)NCC1=NN=N[N-]1)C2	REAL250004591681	1	38	-1.0	-39.92	303.97	1.13	-38.79
COC(=O)N1CC2C=CC1C(C(=O)NCC1=N[N-]N=N1)C2	REAL250004591682	0	36	-1.0	-44.84	296.70	1.95	-42.89
COC(=O)N1CC2C=CC1C(C(=O)NCC1=NN=N[N-]1)C2	REAL250004591682	1	36	-1.0	-44.86	296.76	1.97	-42.89
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CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004591684	0	37	-1.0	-39.59	312.38	-0.28	-39.87
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004591684	1	37	-1.0	-39.60	312.44	-0.27	-39.87
CC(C)(C)N1N=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004591685	0	34	-1.0	-39.45	280.47	0.08	-39.37
CC(C)(C)N1N=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004591685	1	34	-1.0	-39.45	280.41	0.06	-39.39
CC1=CC=C(C2(C(=O)NCC3=N[N-]N=N3)CCC2)C=C1	REAL250004591686	0	36	-1.0	-36.71	300.19	4.18	-32.53
CC1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CCC2)C=C1	REAL250004591686	1	36	-1.0	-36.70	300.25	4.19	-32.51
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=CC=CC(O)=C21	REAL250004591687	0	30	-1.0	-41.88	266.05	2.02	-39.86
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=CC=CC(O)=C21	REAL250004591687	1	30	-1.0	-41.89	266.00	2.01	-39.88
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NCC1=N[N-]N=N1	REAL250004591688	0	31	-1.0	-43.77	287.73	-2.11	-45.88
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NCC1=NN=N[N-]1	REAL250004591688	1	31	-1.0	-43.77	287.78	-2.10	-45.87
CN1C(C(=O)NCC2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL250004591691	0	32	-1.0	-42.13	273.56	2.35	-39.78
CN1C(C(=O)NCC2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL250004591691	1	32	-1.0	-42.10	273.50	2.34	-39.76
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CC(C)(C)OC(=O)CC1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004591693	0	41	-1.0	-42.02	327.05	3.32	-38.70
CC(C)(C)OC(=O)CC1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004591693	1	41	-1.0	-41.98	327.11	3.34	-38.64
O=C(NCC1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL250004591694	0	25	-1.0	-41.01	260.15	1.37	-39.64
O=C(NCC1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL250004591694	1	25	-1.0	-41.03	260.09	1.35	-39.68
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004591695	0	30	-1.0	-37.88	279.00	2.48	-35.40
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CCOC(=O)C1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004591696	0	35	-1.0	-36.11	290.98	2.46	-33.65
CCOC(=O)C1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004591696	1	35	-1.0	-36.06	291.04	2.48	-33.58
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCC1=N[N-]N=N1	REAL250004591697	0	28	-1.0	-43.12	264.90	2.58	-40.54
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCC1=NN=N[N-]1	REAL250004591697	1	28	-1.0	-43.12	264.96	2.59	-40.53
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCC1=NN=N[N-]1	REAL250004591698	0	30	-1.0	-41.95	285.35	-4.15	-46.10
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCC1=N[N-]N=N1	REAL250004591698	1	30	-1.0	-41.93	285.29	-4.16	-46.09
CCNC1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004591699	0	27	-1.0	-39.08	258.02	-0.86	-39.94
CCNC1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004591699	1	27	-1.0	-39.08	257.96	-0.88	-39.96
NC1=NC=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004591700	0	26	-1.0	-35.43	247.20	-0.93	-36.36
NC1=NC=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004591700	1	26	-1.0	-35.43	247.14	-0.94	-36.37
O=C(NCC1=N[N-]N=N1)C1(NC2=CC=CC=C2)CC1	REAL250004591701	0	32	-1.0	-37.01	278.62	1.65	-35.36
O=C(NCC1=NN=N[N-]1)C1(NC2=CC=CC=C2)CC1	REAL250004591701	1	32	-1.0	-37.01	278.68	1.67	-35.34
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=N[N-]N=N1	REAL250004591702	0	32	-1.0	-37.79	297.17	3.70	-34.09
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=NN=N[N-]1	REAL250004591702	1	32	-1.0	-37.78	297.23	3.71	-34.07
CN1N=C(C2CC2)N=C1CC(=O)NCC1=N[N-]N=N1	REAL250004591703	0	32	-1.0	-42.99	284.75	1.37	-41.62
CN1N=C(C2CC2)N=C1CC(=O)NCC1=NN=N[N-]1	REAL250004591703	1	32	-1.0	-43.00	284.81	1.38	-41.62
O=C(NCC1=N[N-]N=N1)C1CCC2=NC=NC=C2C1	REAL250004591704	0	31	-1.0	-36.48	265.49	1.59	-34.89
O=C(NCC1=NN=N[N-]1)C1CCC2=NC=NC=C2C1	REAL250004591704	1	31	-1.0	-36.52	265.55	1.60	-34.92
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004591705	0	26	-1.0	-39.10	267.02	3.15	-35.95
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004591705	1	26	-1.0	-39.09	267.07	3.16	-35.93
O=C(CC1=C2C=CC=CN2N=C1)NCC1=NN=N[N-]1	REAL250004591706	0	29	-1.0	-43.01	263.99	1.74	-41.27
O=C(CC1=C2C=CC=CN2N=C1)NCC1=N[N-]N=N1	REAL250004591706	1	29	-1.0	-42.99	263.93	1.73	-41.26
CC1CCN2N=CC(C(=O)NCC3=N[N-]N=N3)=C2C1	REAL250004591707	0	33	-1.0	-39.18	276.42	1.24	-37.94
CC1CCN2N=CC(C(=O)NCC3=NN=N[N-]3)=C2C1	REAL250004591707	1	33	-1.0	-39.18	276.48	1.26	-37.92
O=C(CC1=CC=C2OCCCC2=C1)NCC1=N[N-]N=N1	REAL250004591709	0	34	-1.0	-39.20	289.89	2.55	-36.65
O=C(CC1=CC=C2OCCCC2=C1)NCC1=NN=N[N-]1	REAL250004591709	1	34	-1.0	-39.20	289.95	2.57	-36.63
CSC1=CC=C(CCCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591710	0	36	-1.0	-38.60	319.30	4.54	-34.06
CSC1=CC=C(CCCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591710	1	36	-1.0	-38.55	319.35	4.55	-34.00
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=N[N-]N=N1	REAL250004591711	0	28	-1.0	-40.74	270.26	-0.17	-40.91
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=NN=N[N-]1	REAL250004591711	1	28	-1.0	-40.76	270.32	-0.15	-40.91
O=C(NCC1=N[N-]N=N1)C1=COC2=CC=C(F)C=C12	REAL250004591712	0	26	-1.0	-39.61	246.66	1.65	-37.96
O=C(NCC1=NN=N[N-]1)C1=COC2=CC=C(F)C=C12	REAL250004591712	1	26	-1.0	-39.59	246.72	1.66	-37.93
CCOC(=O)C1CCC(CC(=O)NCC2=N[N-]N=N2)CC1	REAL250004591713	0	41	-1.0	-38.97	332.53	3.76	-35.21
CCOC(=O)C1CCC(CC(=O)NCC2=NN=N[N-]2)CC1	REAL250004591713	1	41	-1.0	-38.96	332.60	3.77	-35.19
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCC1	REAL250004591714	0	33	-1.0	-39.53	283.56	3.51	-36.02
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250004591714	1	33	-1.0	-39.52	283.62	3.52	-36.00
CC(C)(C)OC(=O)CCCC(=O)NCC1=N[N-]N=N1	REAL250004591715	0	37	-1.0	-41.59	308.05	2.54	-39.05
CC(C)(C)OC(=O)CCCC(=O)NCC1=NN=N[N-]1	REAL250004591715	1	37	-1.0	-41.56	308.10	2.56	-39.00
O=C(CN1C=CC2=CC=C(F)C=C21)NCC1=N[N-]N=N1	REAL250004591716	0	30	-1.0	-40.44	275.76	3.46	-36.98
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CC(C)=CCCC(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591717	0	38	-1.0	-35.50	306.33	3.73	-31.77
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CC(C(=O)NCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004591746	0	39	-1.0	-38.38	314.50	1.24	-37.14
CC(C(=O)NCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004591746	1	39	-1.0	-38.33	314.56	1.26	-37.07
CC(CC1=CC=C(C#N)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004591747	0	33	-1.0	-37.57	293.78	3.59	-33.98
CC(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004591747	1	33	-1.0	-37.59	293.84	3.61	-33.98
CC1=C(C(=O)NCC2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL250004591748	0	31	-1.0	-43.15	280.72	2.91	-40.24
CC1=C(C(=O)NCC2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL250004591748	1	31	-1.0	-43.16	280.77	2.92	-40.24
CC(C)(C)OC(=O)CCCCC(=O)NCC1=N[N-]N=N1	REAL250004591749	0	40	-1.0	-38.40	329.54	3.33	-35.07
CC(C)(C)OC(=O)CCCCC(=O)NCC1=NN=N[N-]1	REAL250004591749	1	40	-1.0	-38.38	329.60	3.34	-35.04
C[C@H](NC(=O)C1=CC=CO1)C(=O)NCC1=N[N-]N=N1	REAL250004591750	0	30	-1.0	-38.39	274.32	-1.42	-39.81
C[C@H](NC(=O)C1=CC=CO1)C(=O)NCC1=NN=N[N-]1	REAL250004591750	1	30	-1.0	-38.32	274.38	-1.40	-39.72
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CC(C)(C)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591753	0	35	-1.0	-37.27	287.71	3.56	-33.71
CC(C)(C)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591753	1	35	-1.0	-37.29	287.77	3.58	-33.71
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CC1=NN(CC(=O)NCC2=N[N-]N=N2)C(=O)N1C	REAL250004591756	0	29	-1.0	-48.24	265.80	0.22	-48.02
CC1=NN(CC(=O)NCC2=NN=N[N-]2)C(=O)N1C	REAL250004591756	1	29	-1.0	-48.21	265.86	0.23	-47.98
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COC1=CC=C2CCCC(C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004591758	0	37	-1.0	-42.09	302.82	3.03	-39.06
COC1=CC=C2CCCC(C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004591758	1	37	-1.0	-42.11	302.87	3.05	-39.06
COC1=CN2N=CC(C(=O)NCC3=NN=N[N-]3)=C2C=C1	REAL250004591759	0	30	-1.0	-40.47	268.48	0.24	-40.23
COC1=CN2N=CC(C(=O)NCC3=N[N-]N=N3)=C2C=C1	REAL250004591759	1	30	-1.0	-40.48	268.42	0.23	-40.25
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CC1(C)CC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2O1	REAL250004591761	0	34	-1.0	-43.56	287.95	3.37	-40.19
CC1(C)CC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2O1	REAL250004591761	1	34	-1.0	-43.54	288.01	3.39	-40.15
NC1=NC(C2CC2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591762	0	30	-1.0	-35.21	264.17	0.03	-35.18
NC1=NC(C2CC2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591762	1	30	-1.0	-35.23	264.22	0.04	-35.19
CN1CCC(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004591763	0	35	-1.0	-37.54	285.50	1.78	-35.76
CN1CCC(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004591763	1	35	-1.0	-37.49	285.56	1.79	-35.70
CN(C)C1=NC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004591764	0	30	-1.0	-34.34	279.62	0.48	-33.86
CN(C)C1=NC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004591764	1	30	-1.0	-34.31	279.56	0.46	-33.85
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O=C(CC1=CC=CN=C1Cl)NCC1=N[N-]N=N1	REAL250004591765	1	25	-1.0	-40.55	245.12	0.48	-40.07
O=C(NCC1=N[N-]N=N1)C1=C2NC(=O)COC2=CC=C1	REAL250004591766	0	29	-1.0	-40.76	257.38	-1.13	-41.89
O=C(NCC1=NN=N[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL250004591766	1	29	-1.0	-40.80	257.44	-1.11	-41.91
CC(=NO)C1CC(C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004591767	0	36	-1.0	-40.18	294.48	-0.40	-40.58
CC(=NO)C1CC(C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004591767	1	36	-1.0	-40.17	294.54	-0.39	-40.56
CC1=CN=C2C=C(C(=O)NCC3=N[N-]N=N3)C=CN12	REAL250004591768	0	29	-1.0	-40.08	259.89	2.32	-37.76
CC1=CN=C2C=C(C(=O)NCC3=NN=N[N-]3)C=CN12	REAL250004591768	1	29	-1.0	-40.08	259.95	2.33	-37.75
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CC1CC2=CNN=C2C(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591771	0	33	-1.0	-40.94	273.24	0.52	-40.42
CC1CC2=CNN=C2C(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591771	1	33	-1.0	-40.88	273.30	0.54	-40.34
CC(C)(C)OC(=O)C1(C(=O)NCC2=N[N-]N=N2)CCCO1	REAL250004591772	0	39	-1.0	-38.04	319.81	1.56	-36.48
CC(C)(C)OC(=O)C1(C(=O)NCC2=NN=N[N-]2)CCCO1	REAL250004591772	1	39	-1.0	-38.05	319.87	1.57	-36.48
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O=C(CC(N1C=CN=C1)C(F)(F)F)NCC1=NN=N[N-]1	REAL250004591773	1	29	-1.0	-38.14	270.62	2.24	-35.90
O=C(NCC1=N[N-]N=N1)C1=CC(N2C=CN=C2)=CC=C1O	REAL250004591774	0	31	-1.0	-43.01	276.30	2.18	-40.83
O=C(NCC1=NN=N[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL250004591774	1	31	-1.0	-42.97	276.35	2.19	-40.78
O=C(NCC1=NN=N[N-]1)C1=CSC(Br)=N1	REAL250004591775	0	19	-1.0	-38.45	220.59	-1.17	-39.62
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CC(C)CC(C(=O)NCC1=N[N-]N=N1)N1C=CN=C1	REAL250004591776	0	35	-1.0	-37.27	293.19	3.37	-33.90
CC(C)CC(C(=O)NCC1=NN=N[N-]1)N1C=CN=C1	REAL250004591776	1	35	-1.0	-37.26	293.25	3.38	-33.88
CN1CCCC1C1=NNC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591777	0	35	-1.0	-35.90	296.74	-1.67	-37.57
CN1CCCC1C1=NNC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591777	1	35	-1.0	-35.92	296.80	-1.65	-37.57
CN1C(=O)CSC1=CC(=O)NCC1=N[N-]N=N1	REAL250004591778	0	26	-1.0	-38.16	245.93	-0.26	-38.42
CN1C(=O)CSC1=CC(=O)NCC1=NN=N[N-]1	REAL250004591778	1	26	-1.0	-38.19	245.99	-0.25	-38.44
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CC1(C(=O)NCC2=NN=N[N-]2)CC(C2=CC=CC=C2)=NO1	REAL250004591779	1	34	-1.0	-40.34	299.00	2.15	-38.19
CN(C)C(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004591780	0	34	-1.0	-34.87	302.69	1.64	-33.23
CN(C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004591780	1	34	-1.0	-34.89	302.74	1.66	-33.23
CC(C)(C)OC(=O)C1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004591781	0	38	-1.0	-36.21	307.77	3.02	-33.19
CC(C)(C)OC(=O)C1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004591781	1	38	-1.0	-36.23	307.83	3.04	-33.19
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CC(CC(=O)NCC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004591784	0	38	-1.0	-39.05	299.58	2.25	-36.80
CC(CC(=O)NCC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004591784	1	38	-1.0	-39.07	299.64	2.26	-36.81
CCN1C(=O)NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004591785	0	33	-1.0	-38.97	291.34	1.07	-37.90
CCN1C(=O)NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004591785	1	33	-1.0	-38.94	291.39	1.09	-37.85
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL250004591786	0	34	-1.0	-36.10	294.41	1.41	-34.69
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL250004591786	1	34	-1.0	-36.11	294.46	1.43	-34.68
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CCC(CC)(C(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004591793	0	43	-1.0	-40.54	336.47	4.26	-36.28
CCC(CC)(C(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004591793	1	43	-1.0	-40.58	336.52	4.27	-36.31
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CC(C)(O)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004591806	0	39	-1.0	-35.74	290.79	-0.22	-35.96
CC(C)(O)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004591806	1	39	-1.0	-35.74	290.85	-0.21	-35.95
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CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCC1=N[N-]N=N1	REAL250004591808	0	42	-1.0	-35.93	335.89	0.24	-35.69
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCC1=NN=N[N-]1	REAL250004591808	1	42	-1.0	-35.98	335.94	0.26	-35.72
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CC(COCC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004591810	0	36	-1.0	-38.38	308.97	3.62	-34.76
CC(COCC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004591810	1	36	-1.0	-38.36	309.03	3.63	-34.73
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CC1=NN=NN1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591815	0	31	-1.0	-39.41	278.86	1.28	-38.13
CC1=NN=NN1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591815	1	31	-1.0	-39.43	278.92	1.29	-38.14
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004591816	0	39	-1.0	-40.54	330.50	3.10	-37.44
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004591816	1	39	-1.0	-40.55	330.56	3.11	-37.44
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O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004591820	0	33	-1.0	-37.83	290.13	3.78	-34.05
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004591820	1	33	-1.0	-37.83	290.19	3.80	-34.03
CSC1=CC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004591821	0	26	-1.0	-42.69	243.70	0.53	-42.16
CSC1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004591821	1	26	-1.0	-42.69	243.64	0.51	-42.18
O=C(NCC1=NN=N[N-]1)C1=NSC=C1Br	REAL250004591822	0	19	-1.0	-38.73	215.52	-0.63	-39.36
O=C(NCC1=N[N-]N=N1)C1=NSC=C1Br	REAL250004591822	1	19	-1.0	-38.72	215.46	-0.65	-39.37
O=C(NCC1=N[N-]N=N1)C(CC1CCCO1)C(F)(F)F	REAL250004591823	0	33	-1.0	-35.68	282.42	1.09	-34.59
O=C(NCC1=NN=N[N-]1)C(CC1CCCO1)C(F)(F)F	REAL250004591823	1	33	-1.0	-35.66	282.47	1.10	-34.56
CCC1=NC=CN1C(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591824	0	35	-1.0	-36.47	294.51	2.40	-34.07
CCC1=NC=CN1C(C)CC(=O)NCC1=NN=N[N-]1	REAL250004591824	1	35	-1.0	-36.50	294.57	2.42	-34.08
CCCOC1=CC=NC(CC(=O)NCC2=N[N-]N=N2)=N1	REAL250004591825	0	34	-1.0	-40.46	301.84	-0.84	-41.30
CCCOC1=CC=NC(CC(=O)NCC2=NN=N[N-]2)=N1	REAL250004591825	1	34	-1.0	-40.47	301.90	-0.83	-41.30
O=C(NCC1=NN=N[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004591826	0	26	-1.0	-43.14	256.59	3.04	-40.10
O=C(NCC1=N[N-]N=N1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004591826	1	26	-1.0	-43.12	256.53	3.02	-40.10
O=C(CC1=CN2CCCCC2=N1)NCC1=N[N-]N=N1	REAL250004591827	0	33	-1.0	-45.82	279.20	2.23	-43.59
O=C(CC1=CN2CCCCC2=N1)NCC1=NN=N[N-]1	REAL250004591827	1	33	-1.0	-45.83	279.26	2.24	-43.59
CSC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591828	0	26	-1.0	-38.39	252.32	0.70	-37.69
CSC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591828	1	26	-1.0	-38.35	252.26	0.69	-37.66
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004591829	0	29	-1.0	-35.71	268.85	2.99	-32.72
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004591829	1	29	-1.0	-35.73	268.91	3.00	-32.73
COC(CC(=O)NCC1=N[N-]N=N1)C(F)(F)F	REAL250004591830	0	26	-1.0	-35.20	244.17	-0.17	-35.37
COC(CC(=O)NCC1=NN=N[N-]1)C(F)(F)F	REAL250004591830	1	26	-1.0	-35.23	244.23	-0.16	-35.39
O=C(CC1C2CC3CC(C2)CC1C3)NCC1=N[N-]N=N1	REAL250004591831	0	40	-1.0	-35.75	289.97	3.68	-32.07
O=C(CC1C2CC3CC(C2)CC1C3)NCC1=NN=N[N-]1	REAL250004591831	1	40	-1.0	-35.75	290.03	3.70	-32.05
O=C(NCC1=N[N-]N=N1)C12CC3CC(C(=O)N1)C2C3	REAL250004591832	0	32	-1.0	-38.15	261.13	-1.14	-39.29
O=C(NCC1=NN=N[N-]1)C12CC3CC(C(=O)N1)C2C3	REAL250004591832	1	32	-1.0	-38.15	261.19	-1.12	-39.27
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004591833	0	37	-1.0	-40.74	312.99	-0.56	-41.30
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004591833	1	37	-1.0	-40.76	313.05	-0.54	-41.30
NC(=O)C1=NN(CC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591834	0	26	-1.0	-51.06	249.08	-3.23	-54.29
NC(=O)C1=NN(CC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591834	1	26	-1.0	-51.06	249.02	-3.25	-54.31
CC1=CC=CC(C2=CC=C(C(=O)NCC3=N[N-]N=N3)N2C)=C1	REAL250004591835	0	37	-1.0	-37.67	310.17	4.81	-32.86
CC1=CC=CC(C2=CC=C(C(=O)NCC3=NN=N[N-]3)N2C)=C1	REAL250004591835	1	37	-1.0	-37.67	310.23	4.83	-32.84
O=C(NCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004591836	0	33	-1.0	-36.79	284.12	0.42	-36.37
O=C(NCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004591836	1	33	-1.0	-36.78	284.17	0.43	-36.35
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004591837	0	31	-1.0	-42.09	274.81	1.38	-40.71
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004591837	1	31	-1.0	-42.10	274.87	1.40	-40.70
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004591838	0	31	-1.0	-45.05	274.64	1.39	-43.66
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004591838	1	31	-1.0	-45.03	274.70	1.41	-43.62
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCC1=N[N-]N=N1	REAL250004591839	0	29	-1.0	-38.42	275.79	1.03	-37.39
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCC1=NN=N[N-]1	REAL250004591839	1	29	-1.0	-38.41	275.85	1.04	-37.37
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004591840	0	41	-1.0	-40.44	329.32	3.49	-36.95
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004591840	1	41	-1.0	-40.44	329.38	3.51	-36.93
CC(C)(C)N1N=NC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591841	0	30	-1.0	-39.51	268.82	-0.98	-40.49
CC(C)(C)N1N=NC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591841	1	30	-1.0	-39.51	268.77	-1.00	-40.51
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COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591844	0	37	-1.0	-38.77	314.01	3.36	-35.41
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591844	1	37	-1.0	-38.79	314.07	3.37	-35.42
O=C(NCC1=NN=N[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004591845	0	26	-1.0	-44.04	249.13	1.49	-42.55
O=C(NCC1=N[N-]N=N1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004591845	1	26	-1.0	-44.08	249.07	1.47	-42.61
CC(=O)NC(CCC(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004591846	0	38	-1.0	-44.00	309.48	1.49	-42.51
CC(=O)NC(CCC(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004591846	1	38	-1.0	-43.94	309.53	1.50	-42.44
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1C#N	REAL250004591847	0	28	-1.0	-36.58	261.18	0.96	-35.62
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1C#N	REAL250004591847	1	28	-1.0	-36.60	261.24	0.97	-35.63
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)N=CN2C=C1	REAL250004591848	0	29	-1.0	-48.75	261.32	3.19	-45.56
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)N=CN2C=C1	REAL250004591848	1	29	-1.0	-48.78	261.26	3.18	-45.60
O=C(NCC1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004591849	0	25	-1.0	-37.36	262.49	1.19	-36.17
O=C(NCC1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004591849	1	25	-1.0	-37.39	262.43	1.18	-36.21
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250004591850	0	28	-1.0	-36.21	253.83	1.74	-34.47
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL250004591850	1	28	-1.0	-36.22	253.77	1.72	-34.50
O=C(CC(N1C=CC=N1)C(F)(F)F)NCC1=NN=N[N-]1	REAL250004591851	0	29	-1.0	-38.75	268.90	1.00	-37.75
O=C(CC(N1C=CC=N1)C(F)(F)F)NCC1=N[N-]N=N1	REAL250004591851	1	29	-1.0	-38.71	268.84	0.98	-37.73
O=C(NCC1=NN=N[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004591852	0	25	-1.0	-37.46	255.93	1.13	-36.33
O=C(NCC1=N[N-]N=N1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004591852	1	25	-1.0	-37.43	255.88	1.12	-36.31
O=C(NCC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL250004591853	0	29	-1.0	-37.11	262.86	0.94	-36.17
O=C(NCC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1	REAL250004591853	1	29	-1.0	-37.08	262.80	0.93	-36.15
CC(C)(CC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL250004591854	0	28	-1.0	-33.39	242.34	1.06	-32.33
CC(C)(CC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004591854	1	28	-1.0	-33.42	242.40	1.07	-32.35
O=C(NCC1=N[N-]N=N1)C1COCC1C1=CC=CC=C1	REAL250004591855	0	34	-1.0	-37.79	287.05	1.74	-36.05
O=C(NCC1=NN=N[N-]1)C1COCC1C1=CC=CC=C1	REAL250004591855	1	34	-1.0	-37.77	287.11	1.76	-36.01
COC1=NOC(CCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591856	0	29	-1.0	-37.56	265.51	-1.69	-39.25
COC1=NOC(CCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591856	1	29	-1.0	-37.56	265.57	-1.68	-39.24
CC(C)(C)OC(=O)C1(C(=O)NCC2=N[N-]N=N2)CC=CC1	REAL250004591857	0	39	-1.0	-35.99	316.39	3.48	-32.51
CC(C)(C)OC(=O)C1(C(=O)NCC2=NN=N[N-]2)CC=CC1	REAL250004591857	1	39	-1.0	-36.01	316.45	3.50	-32.51
CC(C)(C)OC(=O)C(C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL250004591858	0	43	-1.0	-39.47	330.17	4.89	-34.58
CC(C)(C)OC(=O)C(C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL250004591858	1	43	-1.0	-39.49	330.21	4.91	-34.58
CC(C)(C)OC(=O)C(C(=O)NCC1=N[N-]N=N1)C1CC1	REAL250004591859	0	38	-1.0	-39.97	317.39	3.02	-36.95
CC(C)(C)OC(=O)C(C(=O)NCC1=NN=N[N-]1)C1CC1	REAL250004591859	1	38	-1.0	-39.98	317.45	3.03	-36.95
C=C(C)CC(NC(C)=O)C(=O)NCC1=N[N-]N=N1	REAL250004591860	0	33	-1.0	-43.38	279.59	0.57	-42.81
C=C(C)CC(NC(C)=O)C(=O)NCC1=NN=N[N-]1	REAL250004591860	1	33	-1.0	-43.38	279.65	0.58	-42.80
COC1(C(=O)NCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004591861	0	33	-1.0	-33.50	268.23	0.41	-33.09
COC1(C(=O)NCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004591861	1	33	-1.0	-33.49	268.29	0.43	-33.06
CN1C=CC(C(=O)NCC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004591862	0	34	-1.0	-42.89	291.60	4.13	-38.76
CN1C=CC(C(=O)NCC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004591862	1	34	-1.0	-42.89	291.55	4.11	-38.78
CCCCCC1=NNC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591863	0	35	-1.0	-34.99	301.25	1.37	-33.62
CCCCCC1=NNC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591863	1	35	-1.0	-35.02	301.31	1.39	-33.63
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL250004591864	0	33	-1.0	-35.26	286.44	-0.24	-35.50
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004591864	1	33	-1.0	-35.26	286.50	-0.23	-35.49
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004591865	0	29	-1.0	-35.63	276.69	2.31	-33.32
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004591865	1	29	-1.0	-35.61	276.63	2.29	-33.32
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591866	0	27	-1.0	-37.47	258.92	0.80	-36.67
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591866	1	27	-1.0	-37.43	258.98	0.82	-36.61
CC1(C)CC(C(=O)NCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004591867	0	41	-1.0	-35.18	308.17	3.37	-31.81
CC1(C)CC(C(=O)NCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004591867	1	41	-1.0	-35.16	308.23	3.38	-31.78
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1COCC2	REAL250004591868	0	31	-1.0	-38.41	259.71	1.37	-37.04
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1COCC2	REAL250004591868	1	31	-1.0	-38.43	259.76	1.38	-37.05
CN1N=CC(C2CCC2)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591869	0	33	-1.0	-36.47	285.06	1.52	-34.95
CN1N=CC(C2CCC2)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591869	1	33	-1.0	-36.47	285.00	1.50	-34.97
C[C@@H](C(=O)NCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004591870	0	39	-1.0	-38.12	315.72	1.30	-36.82
C[C@@H](C(=O)NCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004591870	1	39	-1.0	-38.11	315.78	1.31	-36.80
COC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)O1	REAL250004591871	0	29	-1.0	-37.90	269.55	0.82	-37.08
COC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)O1	REAL250004591871	1	29	-1.0	-37.91	269.61	0.84	-37.07
O=C(NCC1=N[N-]N=N1)C1CCN1C1CCCC1	REAL250004591872	1	35	-1.0	-34.80	273.39	-0.94	-35.74
O=C(NCC1=NN=N[N-]1)C1CCN1C1CCCC1	REAL250004591872	1	35	-1.0	-34.80	273.45	-0.92	-35.72
O=C(NCC1=NN=N[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL250004591873	0	30	-1.0	-47.31	269.26	-2.35	-49.66
O=C(NCC1=N[N-]N=N1)C1=C2N=C(CO)NC2=CC=C1	REAL250004591873	1	30	-1.0	-47.35	269.21	-2.37	-49.72
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004591874	0	31	-1.0	-40.60	274.09	2.27	-38.33
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004591874	1	31	-1.0	-40.60	274.15	2.29	-38.31
CC(=CC(=O)NCC1=N[N-]N=N1)CN1CCOCC1	REAL250004591875	0	36	-1.0	-36.87	293.74	-1.33	-38.20
CC(=CC(=O)NCC1=NN=N[N-]1)CN1CCOCC1	REAL250004591875	1	36	-1.0	-36.83	293.80	-1.31	-38.14
O=C(NCC1=N[N-]N=N1)C1=NN=C(C2=CC=CO2)O1	REAL250004591876	0	25	-1.0	-39.39	248.13	-4.63	-44.02
O=C(NCC1=NN=N[N-]1)C1=NN=C(C2=CC=CO2)O1	REAL250004591876	1	25	-1.0	-39.38	248.19	-4.61	-43.99
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004591877	0	26	-1.0	-40.62	250.48	0.95	-39.67
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004591877	1	26	-1.0	-40.60	250.54	0.97	-39.63
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004591878	0	30	-1.0	-39.06	273.11	1.43	-37.63
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004591878	1	30	-1.0	-39.07	273.05	1.42	-37.65
CC1=NNC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004591879	0	29	-1.0	-37.69	260.08	0.55	-37.14
CC1=NNC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004591879	1	29	-1.0	-37.68	260.02	0.54	-37.14
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC2=CC=NC=C21	REAL250004591880	0	28	-1.0	-44.02	261.87	1.54	-42.48
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC2=CC=NC=C21	REAL250004591880	1	28	-1.0	-43.99	261.82	1.53	-42.46
NC(=O)N=NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591881	0	29	-1.0	-40.18	272.69	-3.58	-43.76
NC(=O)N=NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591881	1	29	-1.0	-40.18	272.74	-3.56	-43.74
O=C(NCC1=N[N-]N=N1)C1=CNC(=S)N1C1CC1	REAL250004591882	0	28	-1.0	-39.07	255.94	1.42	-37.65
O=C(NCC1=NN=N[N-]1)C1=CNC(=S)N1C1CC1	REAL250004591882	1	28	-1.0	-39.08	256.00	1.43	-37.65
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=N[N-]N=N1	REAL250004591883	0	33	-1.0	-41.14	298.54	0.72	-40.42
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=NN=N[N-]1	REAL250004591883	1	33	-1.0	-41.11	298.59	0.73	-40.38
O=C(NCC1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250004591884	0	28	-1.0	-42.24	266.80	-2.08	-44.32
O=C(NCC1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL250004591884	1	28	-1.0	-42.24	266.74	-2.09	-44.33
COCCCN1N=C(C(=O)NCC2=N[N-]N=N2)C=CC1=O	REAL250004591885	0	35	-1.0	-37.70	311.04	-0.91	-38.61
COCCCN1N=C(C(=O)NCC2=NN=N[N-]2)C=CC1=O	REAL250004591885	1	35	-1.0	-37.76	311.09	-0.90	-38.66
O=C(NCC1=NN=N[N-]1)C1=C2C=CSC2=NC=N1	REAL250004591886	0	24	-1.0	-37.34	237.35	0.56	-36.78
O=C(NCC1=N[N-]N=N1)C1=C2C=CSC2=NC=N1	REAL250004591886	1	24	-1.0	-37.35	237.29	0.55	-36.80
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004591887	0	40	-1.0	-39.67	302.38	2.43	-37.24
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004591887	1	40	-1.0	-39.69	302.44	2.44	-37.25
O=C(NCC1=NN=N[N-]1)C1=C(C2=NOC=C2)OC=N1	REAL250004591888	0	25	-1.0	-47.83	241.05	-2.56	-50.39
O=C(NCC1=N[N-]N=N1)C1=C(C2=NOC=C2)OC=N1	REAL250004591888	1	25	-1.0	-47.86	240.99	-2.57	-50.43
CC(C)(C)N1N=NC(CC(=O)NCC2=N[N-]N=N2)=N1	REAL250004591889	0	33	-1.0	-42.73	289.55	-0.50	-43.23
CC(C)(C)N1N=NC(CC(=O)NCC2=NN=N[N-]2)=N1	REAL250004591889	1	33	-1.0	-42.76	289.61	-0.49	-43.25
O=C(NCC1=N[N-]N=N1)C1=CC=C2COCCC2=C1	REAL250004591890	0	31	-1.0	-37.89	265.31	1.35	-36.54
O=C(NCC1=NN=N[N-]1)C1=CC=C2COCCC2=C1	REAL250004591890	1	31	-1.0	-37.89	265.37	1.36	-36.53
O=C(NCC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004591891	0	26	-1.0	-35.86	267.36	3.15	-32.71
O=C(NCC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004591891	1	26	-1.0	-35.82	267.42	3.16	-32.66
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591892	0	34	-1.0	-37.90	293.59	2.57	-35.33
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591892	1	34	-1.0	-37.89	293.65	2.59	-35.30
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004591893	0	32	-1.0	-38.98	290.89	2.88	-36.10
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004591893	1	32	-1.0	-38.98	290.95	2.90	-36.08
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCC1=N[N-]N=N1	REAL250004591894	0	42	-1.0	-36.86	338.03	5.73	-31.13
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCC1=NN=N[N-]1	REAL250004591894	1	42	-1.0	-36.90	338.10	5.75	-31.15
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CCCCC1	REAL250004591895	0	32	-1.0	-35.27	263.12	2.29	-32.98
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CCCCC1	REAL250004591895	1	32	-1.0	-35.23	263.17	2.30	-32.93
CN(C)C(=O)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004591896	0	39	-1.0	-47.85	304.67	1.28	-46.57
CN(C)C(=O)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004591896	1	39	-1.0	-47.88	304.73	1.29	-46.59
CC1=C(Br)C=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591897	0	25	-1.0	-33.96	240.96	0.66	-33.30
CC1=C(Br)C=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591897	1	25	-1.0	-33.95	241.01	0.68	-33.27
COC1=CC=C(OC(C)(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591898	0	37	-1.0	-37.56	301.17	1.97	-35.59
COC1=CC=C(OC(C)(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591898	1	37	-1.0	-37.54	301.22	1.99	-35.55
COC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004591899	0	30	-1.0	-40.47	279.22	1.70	-38.77
COC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004591899	1	30	-1.0	-40.46	279.27	1.71	-38.75
CCC(C(=O)NCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004591900	0	42	-1.0	-37.74	335.99	2.46	-35.28
CCC(C(=O)NCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004591900	1	42	-1.0	-37.68	336.05	2.47	-35.21
O=C(CCC1CC1(Cl)Cl)NCC1=N[N-]N=N1	REAL250004591901	0	26	-1.0	-36.87	260.73	2.28	-34.59
O=C(CCC1CC1(Cl)Cl)NCC1=NN=N[N-]1	REAL250004591901	1	26	-1.0	-36.90	260.78	2.29	-34.61
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL250004591902	0	36	-1.0	-36.18	304.71	0.64	-35.54
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004591902	1	36	-1.0	-36.23	304.77	0.66	-35.57
O=C(NCC1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004591903	0	29	-1.0	-50.58	268.49	1.25	-49.33
O=C(NCC1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004591903	1	29	-1.0	-50.58	268.44	1.23	-49.35
O=C(NCC1=NN=N[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250004591904	0	32	-1.0	-37.25	267.32	-1.27	-38.52
O=C(NCC1=N[N-]N=N1)C1(N2C=NN=N2)CCOCC1	REAL250004591904	1	32	-1.0	-37.23	267.26	-1.28	-38.51
CC(C)N(CC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004591905	0	42	-1.0	-41.60	335.01	2.57	-39.03
CC(C)N(CC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004591905	1	42	-1.0	-41.63	335.06	2.58	-39.05
NC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004591906	0	35	-1.0	-39.81	306.72	1.90	-37.91
NC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004591906	1	35	-1.0	-39.80	306.66	1.89	-37.91
CCNC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004591907	0	27	-1.0	-37.51	257.76	-0.75	-38.26
CCNC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004591907	1	27	-1.0	-37.52	257.70	-0.76	-38.28
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004591908	0	33	-1.0	-36.65	281.30	3.79	-32.86
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004591908	1	33	-1.0	-36.68	281.36	3.81	-32.87
O=C(NCC1=N[N-]N=N1)C1CC2=CC=CC=C2CO1	REAL250004591909	0	31	-1.0	-38.15	268.56	2.45	-35.70
O=C(NCC1=NN=N[N-]1)C1CC2=CC=CC=C2CO1	REAL250004591909	1	31	-1.0	-38.15	268.62	2.46	-35.69
COC(C(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL250004591910	0	36	-1.0	-36.69	289.17	2.29	-34.40
COC(C(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL250004591910	1	36	-1.0	-36.70	289.23	2.31	-34.39
CC1CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2O1	REAL250004591911	0	31	-1.0	-37.53	268.44	1.83	-35.70
CC1CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2O1	REAL250004591911	1	31	-1.0	-37.56	268.50	1.84	-35.72
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004591912	0	29	-1.0	-37.91	269.78	4.02	-33.89
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004591912	1	29	-1.0	-37.92	269.72	4.01	-33.91
COCC1=CSC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591913	0	27	-1.0	-37.66	259.00	-0.04	-37.70
COCC1=CSC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591913	1	27	-1.0	-37.68	259.06	-0.02	-37.70
NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(Br)=N1	REAL250004591915	0	24	-1.0	-35.44	243.43	-1.24	-36.68
NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(Br)=N1	REAL250004591915	1	24	-1.0	-35.44	243.38	-1.26	-36.70
O=C(NCC1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL250004591916	0	27	-1.0	-39.27	243.35	-1.15	-40.42
O=C(NCC1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL250004591916	1	27	-1.0	-39.23	243.41	-1.14	-40.37
CC1=CN2C=CC(C(=O)NCC3=N[N-]N=N3)=CC2=N1	REAL250004591917	0	29	-1.0	-40.70	260.09	2.38	-38.32
CC1=CN2C=CC(C(=O)NCC3=NN=N[N-]3)=CC2=N1	REAL250004591917	1	29	-1.0	-40.68	260.15	2.39	-38.29
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004591918	0	31	-1.0	-42.37	275.85	-0.30	-42.67
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004591918	1	31	-1.0	-42.33	275.91	-0.28	-42.61
CNC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004591919	0	28	-1.0	-38.10	251.82	0.14	-37.96
CNC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004591919	1	28	-1.0	-38.11	251.88	0.16	-37.95
O=C(NCC1=N[N-]N=N1)C1CCC2C(C1)C2(F)F	REAL250004591920	0	30	-1.0	-37.64	253.99	2.22	-35.42
O=C(NCC1=NN=N[N-]1)C1CCC2C(C1)C2(F)F	REAL250004591920	1	30	-1.0	-37.65	254.04	2.23	-35.42
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004591921	0	34	-1.0	-42.60	291.68	-2.10	-44.70
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004591921	1	34	-1.0	-42.60	291.74	-2.08	-44.68
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004591922	0	32	-1.0	-45.81	289.24	1.68	-44.13
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004591922	1	32	-1.0	-45.80	289.18	1.67	-44.13
CC1=CC(CC(=O)NCC2=N[N-]N=N2)=NC=C1Cl	REAL250004591923	0	28	-1.0	-40.06	265.44	1.38	-38.68
CC1=CC(CC(=O)NCC2=NN=N[N-]2)=NC=C1Cl	REAL250004591923	1	28	-1.0	-40.05	265.50	1.40	-38.65
NC1=C(Cl)C=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004591924	0	25	-1.0	-35.00	255.21	0.29	-34.71
NC1=C(Cl)C=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004591924	1	25	-1.0	-35.02	255.27	0.30	-34.72
CCC1(C(=O)NCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004591925	0	35	-1.0	-35.20	277.69	2.45	-32.75
CCC1(C(=O)NCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004591925	1	35	-1.0	-35.23	277.75	2.46	-32.77
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004591926	0	26	-1.0	-35.88	257.79	-0.08	-35.96
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004591926	1	26	-1.0	-35.89	257.73	-0.10	-35.99
O=C(NCC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004591927	0	35	-1.0	-38.05	278.13	2.93	-35.12
O=C(NCC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004591927	1	35	-1.0	-38.06	278.18	2.94	-35.12
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CCOCC1	REAL250004591928	0	30	-1.0	-34.36	254.74	-0.06	-34.42
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CCOCC1	REAL250004591928	1	30	-1.0	-34.35	254.80	-0.05	-34.40
CSCC[C@H](NC(N)=O)C(=O)NCC1=N[N-]N=N1	REAL250004591929	0	32	-1.0	-47.40	286.55	-2.32	-49.72
CSCC[C@H](NC(N)=O)C(=O)NCC1=NN=N[N-]1	REAL250004591929	1	32	-1.0	-47.37	286.61	-2.31	-49.68
CCN1C(=O)NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004591930	0	33	-1.0	-39.26	291.30	1.06	-38.20
CCN1C(=O)NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004591930	1	33	-1.0	-39.25	291.35	1.07	-38.18
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL250004591931	0	34	-1.0	-38.87	296.33	1.71	-37.16
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL250004591931	1	34	-1.0	-38.88	296.39	1.73	-37.15
CC1(C)CCCC(O)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591932	0	36	-1.0	-35.25	276.53	-0.11	-35.36
CC1(C)CCCC(O)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591932	1	36	-1.0	-35.25	276.58	-0.10	-35.35
COC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004591933	0	34	-1.0	-39.77	285.18	0.16	-39.61
COC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004591933	1	34	-1.0	-39.78	285.23	0.17	-39.61
O=C(CCC1=CC=CN=C1Cl)NCC1=NN=N[N-]1	REAL250004591934	0	28	-1.0	-39.11	265.36	1.27	-37.84
O=C(CCC1=CC=CN=C1Cl)NCC1=N[N-]N=N1	REAL250004591934	1	28	-1.0	-39.13	265.31	1.26	-37.87
COC(C)(C(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004591935	0	38	-1.0	-38.06	309.92	2.14	-35.92
COC(C)(C(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004591935	1	38	-1.0	-38.03	309.98	2.15	-35.88
CC(C)(C)OC(=O)C1(C(=O)NCC2=N[N-]N=N2)CC1(C)C	REAL250004591936	0	41	-1.0	-36.38	322.61	3.74	-32.64
CC(C)(C)OC(=O)C1(C(=O)NCC2=NN=N[N-]2)CC1(C)C	REAL250004591936	1	41	-1.0	-36.36	322.67	3.76	-32.60
CS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)O1	REAL250004591937	0	30	-1.0	-46.61	292.00	-1.78	-48.39
CS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004591937	1	30	-1.0	-46.60	292.06	-1.76	-48.36
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CNC1=O	REAL250004591938	0	23	-1.0	-48.60	235.02	-0.93	-49.53
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CNC1=O	REAL250004591938	1	23	-1.0	-48.60	235.08	-0.91	-49.51
COCC1(C(=O)NCC2=N[N-]N=N2)CCCCC1	REAL250004591939	0	36	-1.0	-38.47	279.12	1.56	-36.91
COCC1(C(=O)NCC2=NN=N[N-]2)CCCCC1	REAL250004591939	1	36	-1.0	-38.47	279.17	1.57	-36.90
O=C(NCC1=N[N-]N=N1)C1=CN=C2CCCCCN12	REAL250004591940	0	33	-1.0	-38.57	267.87	1.60	-36.97
O=C(NCC1=NN=N[N-]1)C1=CN=C2CCCCCN12	REAL250004591940	1	33	-1.0	-38.59	267.93	1.61	-36.98
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004591941	0	32	-1.0	-40.09	289.17	3.90	-36.19
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004591941	1	32	-1.0	-40.13	289.11	3.89	-36.24
CC1=C(S(C)(=O)=O)C=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004591942	0	29	-1.0	-46.45	276.63	-2.46	-48.91
CC1=C(S(C)(=O)=O)C=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004591942	1	29	-1.0	-46.44	276.69	-2.44	-48.88
O=C(NCC1=N[N-]N=N1)C1=CC2=CSC=C2S1	REAL250004591943	0	23	-1.0	-39.27	241.72	1.61	-37.66
O=C(NCC1=NN=N[N-]1)C1=CC2=CSC=C2S1	REAL250004591943	1	23	-1.0	-39.26	241.78	1.62	-37.64
CC1=CC=CC=C1CC(C)C(=O)NCC1=N[N-]N=N1	REAL250004591944	0	35	-1.0	-35.58	289.01	3.68	-31.90
CC1=CC=CC=C1CC(C)C(=O)NCC1=NN=N[N-]1	REAL250004591944	1	35	-1.0	-35.57	289.06	3.69	-31.88
CC1=C(C(=O)NCC2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004591945	0	26	-1.0	-38.17	248.30	1.02	-37.15
CC1=C(C(=O)NCC2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004591945	1	26	-1.0	-38.16	248.36	1.03	-37.13
O=C(NCC1=N[N-]N=N1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004591946	0	31	-1.0	-35.52	286.80	4.30	-31.22
O=C(NCC1=NN=N[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004591946	1	31	-1.0	-35.48	286.85	4.32	-31.16
CC1=CC=C2OC=C(CC(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004591947	0	32	-1.0	-40.66	285.50	2.95	-37.71
CC1=CC=C2OC=C(CC(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004591947	1	32	-1.0	-40.67	285.56	2.97	-37.70
COC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004591948	0	30	-1.0	-36.79	274.92	2.13	-34.66
COC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004591948	1	30	-1.0	-36.81	274.98	2.15	-34.66
CCCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004591949	0	35	-1.0	-34.97	309.92	4.42	-30.55
CCCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004591949	1	35	-1.0	-34.99	309.97	4.43	-30.56
O=C(NCC1=N[N-]N=N1)C1CN(C2CCOC2)C1	REAL250004591950	1	33	-1.0	-35.46	274.40	-2.95	-38.41
O=C(NCC1=NN=N[N-]1)C1CN(C2CCOC2)C1	REAL250004591950	1	33	-1.0	-35.47	274.45	-2.93	-38.40
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCC1=N[N-]N=N1	REAL250004591951	0	33	-1.0	-40.24	292.14	4.31	-35.93
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCC1=NN=N[N-]1	REAL250004591951	1	33	-1.0	-40.22	292.20	4.32	-35.90
O=C(CN1CSCCSC1)NCC1=N[N-]N=N1	REAL250004591952	0	30	-1.0	-37.47	270.80	-0.27	-37.74
O=C(CN1CSCCSC1)NCC1=NN=N[N-]1	REAL250004591952	1	30	-1.0	-37.44	270.86	-0.25	-37.69
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCC1=N[N-]N=N1	REAL250004591954	0	31	-1.0	-41.86	285.07	2.60	-39.26
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCC1=NN=N[N-]1	REAL250004591954	1	31	-1.0	-41.88	285.13	2.61	-39.27
N#CC1(CC(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004591955	0	31	-1.0	-41.84	260.44	-0.43	-42.27
N#CC1(CC(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004591955	1	31	-1.0	-41.86	260.49	-0.42	-42.28
O=C(NCC1=N[N-]N=N1)C1CC(=O)NC2CCCCC21	REAL250004591956	0	37	-1.0	-38.11	294.53	-0.19	-38.30
O=C(NCC1=NN=N[N-]1)C1CC(=O)NC2CCCCC21	REAL250004591956	1	37	-1.0	-38.11	294.59	-0.18	-38.29
O=C(NCC1=NN=N[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL250004591960	0	34	-1.0	-37.29	291.02	-0.68	-37.97
O=C(NCC1=N[N-]N=N1)C1=CC(N2CCOCC2)=NC=N1	REAL250004591960	1	34	-1.0	-37.27	290.96	-0.69	-37.96
O=C(NCC1=NN=N[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL250004591961	0	31	-1.0	-41.29	276.48	-0.72	-42.01
O=C(NCC1=N[N-]N=N1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL250004591961	1	31	-1.0	-41.31	276.42	-0.73	-42.04
CN(CCC1=CC=CC=C1)CC(=O)NCC1=N[N-]N=N1	REAL250004591962	0	37	-1.0	-36.67	309.05	1.84	-34.83
CN(CCC1=CC=CC=C1)CC(=O)NCC1=NN=N[N-]1	REAL250004591962	1	37	-1.0	-36.66	309.11	1.86	-34.80
CC(C(=O)NCC1=N[N-]N=N1)N1CSCCSC1	REAL250004591964	0	33	-1.0	-38.92	285.74	0.22	-38.70
CC(C(=O)NCC1=NN=N[N-]1)N1CSCCSC1	REAL250004591964	1	33	-1.0	-38.86	285.79	0.24	-38.62
O=C(CCN1CSCCSC1)NCC1=N[N-]N=N1	REAL250004591965	0	33	-1.0	-36.83	290.14	0.02	-36.81
O=C(CCN1CSCCSC1)NCC1=NN=N[N-]1	REAL250004591965	1	33	-1.0	-36.86	290.20	0.03	-36.83
O=C(NCC1=N[N-]N=N1)C1CC2=C(Cl)C=CC=C21	REAL250004591966	0	27	-1.0	-36.04	258.17	2.98	-33.06
O=C(NCC1=NN=N[N-]1)C1CC2=C(Cl)C=CC=C21	REAL250004591966	1	27	-1.0	-36.04	258.23	3.00	-33.04
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004591967	0	28	-1.0	-40.11	268.47	1.30	-38.81
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004591967	1	28	-1.0	-40.11	268.53	1.32	-38.79
O=C(NCC1=N[N-]N=N1)C1CCC2=CC=CC=C2CC1	REAL250004591968	0	36	-1.0	-36.58	289.00	4.14	-32.44
O=C(NCC1=NN=N[N-]1)C1CCC2=CC=CC=C2CC1	REAL250004591968	1	36	-1.0	-36.60	289.05	4.16	-32.44
O=C(CC(C1CCC1)C1CCC1)NCC1=N[N-]N=N1	REAL250004591969	0	39	-1.0	-35.94	302.70	4.17	-31.77
O=C(CC(C1CCC1)C1CCC1)NCC1=NN=N[N-]1	REAL250004591969	1	39	-1.0	-35.92	302.76	4.18	-31.74
CC1=CC=C(COC(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591970	0	36	-1.0	-39.45	311.85	3.69	-35.76
CC1=CC=C(COC(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591970	1	36	-1.0	-39.44	311.91	3.70	-35.74
O=C(NCC1=NN=N[N-]1)C1=C2SC=CC2=NC=N1	REAL250004591971	0	24	-1.0	-38.41	238.55	0.60	-37.81
O=C(NCC1=N[N-]N=N1)C1=C2SC=CC2=NC=N1	REAL250004591971	1	24	-1.0	-38.41	238.50	0.59	-37.82
CCCCCCCCC(C)C(=O)NCC1=N[N-]N=N1	REAL250004591972	0	43	-1.0	-35.38	342.84	4.91	-30.47
CCCCCCCCC(C)C(=O)NCC1=NN=N[N-]1	REAL250004591972	1	43	-1.0	-35.38	342.90	4.93	-30.45
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=N[N-]N=N2)CC1	REAL250004591973	0	40	-1.0	-38.66	331.84	0.48	-38.18
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NN=N[N-]2)CC1	REAL250004591973	1	40	-1.0	-38.61	331.89	0.50	-38.11
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004591974	0	32	-1.0	-48.66	279.59	1.78	-46.88
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004591974	1	32	-1.0	-48.71	279.54	1.76	-46.95
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004591975	0	32	-1.0	-48.66	279.59	1.78	-46.88
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004591975	1	32	-1.0	-48.71	279.54	1.76	-46.95
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=NC=CS1	REAL250004591977	0	28	-1.0	-39.36	256.51	0.26	-39.10
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=NC=CS1	REAL250004591977	1	28	-1.0	-39.37	256.45	0.24	-39.13
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004591978	0	31	-1.0	-39.14	285.42	2.41	-36.73
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004591978	1	31	-1.0	-39.12	285.48	2.42	-36.70
O=C(NCC1=N[N-]N=N1)C1C2CC3=CC=CC=C3C21	REAL250004591979	0	31	-1.0	-36.71	270.67	3.80	-32.91
O=C(NCC1=NN=N[N-]1)C1C2CC3=CC=CC=C3C21	REAL250004591979	1	31	-1.0	-36.69	270.73	3.81	-32.88
O=C(NCC1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL250004591980	0	31	-1.0	-34.96	272.47	1.85	-33.11
O=C(NCC1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250004591980	1	31	-1.0	-34.96	272.53	1.87	-33.09
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004591981	0	29	-1.0	-44.40	276.50	-2.38	-46.78
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004591981	1	29	-1.0	-44.39	276.56	-2.37	-46.76
CC1=CC=CC=C1COC(C)C(=O)NCC1=N[N-]N=N1	REAL250004591982	0	36	-1.0	-39.64	305.81	3.75	-35.89
CC1=CC=CC=C1COC(C)C(=O)NCC1=NN=N[N-]1	REAL250004591982	1	36	-1.0	-39.62	305.87	3.76	-35.86
CSC1=CC(C)=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004591983	0	27	-1.0	-36.38	256.88	1.12	-35.26
CSC1=CC(C)=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004591983	1	27	-1.0	-36.41	256.94	1.14	-35.27
COC(=O)C1(C(=O)NCC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004591984	0	36	-1.0	-35.42	299.42	2.79	-32.63
COC(=O)C1(C(=O)NCC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004591984	1	36	-1.0	-35.44	299.48	2.80	-32.64
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004591985	0	32	-1.0	-37.45	272.17	2.11	-35.34
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004591985	1	32	-1.0	-37.45	272.23	2.12	-35.33
O=C(NCC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL250004591986	0	23	-1.0	-34.83	243.44	1.35	-33.48
O=C(NCC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250004591986	1	23	-1.0	-34.87	243.50	1.36	-33.51
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004591987	0	36	-1.0	-36.17	297.22	4.30	-31.87
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004591987	1	36	-1.0	-36.18	297.28	4.32	-31.86
COCCCN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591988	0	33	-1.0	-41.23	293.35	-0.29	-41.52
COCCCN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591988	1	33	-1.0	-41.23	293.29	-0.31	-41.54
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004591989	0	37	-1.0	-44.86	311.12	0.54	-44.32
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004591989	1	37	-1.0	-44.91	311.18	0.55	-44.36
CN1C=C(N2CC(C(=O)NCC3=NN=N[N-]3)CC2=O)C=N1	REAL250004591990	0	34	-1.0	-40.26	297.15	0.02	-40.24
CN1C=C(N2CC(C(=O)NCC3=N[N-]N=N3)CC2=O)C=N1	REAL250004591990	1	34	-1.0	-40.27	297.10	0.01	-40.26
O=C(NCC1=NN=N[N-]1)C1=C2C=CSC2=CN=C1	REAL250004591991	0	25	-1.0	-37.87	239.52	0.78	-37.09
O=C(NCC1=N[N-]N=N1)C1=C2C=CSC2=CN=C1	REAL250004591991	1	25	-1.0	-37.85	239.46	0.77	-37.08
CCOC1(C(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004591992	0	34	-1.0	-34.76	270.58	-1.16	-35.92
CCOC1(C(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004591992	1	34	-1.0	-34.75	270.63	-1.15	-35.90
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004591993	0	32	-1.0	-43.98	289.25	1.67	-42.31
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004591993	1	32	-1.0	-44.01	289.19	1.66	-42.35
CC1=CC=CC=C1COCC(=O)NCC1=N[N-]N=N1	REAL250004591994	0	33	-1.0	-40.14	286.83	3.00	-37.14
CC1=CC=CC=C1COCC(=O)NCC1=NN=N[N-]1	REAL250004591994	1	33	-1.0	-40.15	286.89	3.01	-37.14
CC1=CC=CC(COCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004591995	0	33	-1.0	-39.89	292.07	2.98	-36.91
CC1=CC=CC(COCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004591995	1	33	-1.0	-39.90	292.12	2.99	-36.91
O=C(NCC1=NN=N[N-]1)C1=C2SC=CC2=CC=N1	REAL250004591996	0	25	-1.0	-41.99	243.40	0.90	-41.09
O=C(NCC1=N[N-]N=N1)C1=C2SC=CC2=CC=N1	REAL250004591996	1	25	-1.0	-42.01	243.35	0.89	-41.12
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004591997	0	32	-1.0	-52.59	268.25	0.18	-52.41
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004591997	1	32	-1.0	-52.57	268.31	0.20	-52.37
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591998	1	30	-1.0	-44.23	280.54	-2.50	-46.73
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591998	1	30	-1.0	-44.23	280.49	-2.52	-46.75
O=C(CN1C=CC(C(F)F)=N1)NCC1=N[N-]N=N1	REAL250004591999	0	26	-1.0	-45.22	251.00	0.19	-45.03
O=C(CN1C=CC(C(F)F)=N1)NCC1=NN=N[N-]1	REAL250004591999	1	26	-1.0	-45.25	251.06	0.21	-45.04
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250004592000	0	29	-1.0	-38.52	258.47	0.46	-38.06
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL250004592000	1	29	-1.0	-38.52	258.41	0.44	-38.08
CC1=CN2C=CN=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592001	0	29	-1.0	-48.75	258.22	3.00	-45.75
CC1=CN2C=CN=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592001	1	29	-1.0	-48.75	258.28	3.02	-45.73
O=C(NCC1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL250004592002	0	34	-1.0	-38.93	292.38	-0.29	-39.22
O=C(NCC1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL250004592002	1	34	-1.0	-38.94	292.33	-0.30	-39.24
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004592003	0	40	-1.0	-38.67	328.75	0.04	-38.63
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004592003	1	40	-1.0	-38.65	328.81	0.06	-38.59
CC1=CC=C(COCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592004	0	33	-1.0	-39.80	292.07	2.99	-36.81
CC1=CC=C(COCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592004	1	33	-1.0	-39.78	292.13	3.00	-36.78
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL250004592005	0	26	-1.0	-44.21	250.26	2.25	-41.96
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250004592005	1	26	-1.0	-44.21	250.32	2.27	-41.94
O=C(NCC1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004592006	0	30	-1.0	-39.15	279.04	2.36	-36.79
O=C(NCC1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004592006	1	30	-1.0	-39.16	278.99	2.34	-36.82
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004592007	0	25	-1.0	-39.75	258.29	1.26	-38.49
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004592007	1	25	-1.0	-39.70	258.23	1.25	-38.45
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCC1=N[N-]N=N1	REAL250004592008	0	33	-1.0	-38.98	293.58	1.18	-37.80
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCC1=NN=N[N-]1	REAL250004592008	1	33	-1.0	-39.00	293.64	1.19	-37.81
CC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004592009	0	26	-1.0	-41.11	249.24	1.88	-39.23
CC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004592009	1	26	-1.0	-41.10	249.29	1.89	-39.21
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL250004592010	0	35	-1.0	-37.72	289.38	1.75	-35.97
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250004592010	1	35	-1.0	-37.69	289.44	1.76	-35.93
COC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1OC(C)C	REAL250004592011	0	37	-1.0	-40.42	303.28	2.91	-37.51
COC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1OC(C)C	REAL250004592011	1	37	-1.0	-40.41	303.33	2.92	-37.49
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL250004592012	0	34	-1.0	-39.12	296.26	1.71	-37.41
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL250004592012	1	34	-1.0	-39.11	296.32	1.72	-37.39
O=C(NCC1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004592013	0	34	-1.0	-41.01	297.62	1.75	-39.26
O=C(NCC1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004592013	1	34	-1.0	-40.98	297.68	1.77	-39.21
O=C(NCC1=N[N-]N=N1)C1=C2CC(=O)NC2=NC=C1	REAL250004592014	0	27	-1.0	-36.40	247.24	-1.10	-37.50
O=C(NCC1=NN=N[N-]1)C1=C2CC(=O)NC2=NC=C1	REAL250004592014	1	27	-1.0	-36.38	247.30	-1.08	-37.46
COC(=O)C=CC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004592015	0	30	-1.0	-38.71	286.31	1.45	-37.26
COC(=O)C=CC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004592015	1	30	-1.0	-38.75	286.36	1.46	-37.29
CC(C)(C)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592016	0	39	-1.0	-36.84	322.19	4.75	-32.09
CC(C)(C)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592016	1	39	-1.0	-36.85	322.25	4.77	-32.08
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC(F)=C1Cl	REAL250004592017	0	23	-1.0	-39.56	243.18	1.63	-37.93
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL250004592017	1	23	-1.0	-39.56	243.24	1.64	-37.92
CCN1N=CC(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592018	0	26	-1.0	-35.33	255.73	0.27	-35.06
CCN1N=CC(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592018	1	26	-1.0	-35.34	255.68	0.26	-35.08
COC(=O)C1=C(C)C=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004592019	0	29	-1.0	-36.45	270.60	0.65	-35.80
COC(=O)C1=C(C)C=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004592019	1	29	-1.0	-36.44	270.66	0.66	-35.78
COC(=O)C1=CN(CC(=O)NCC2=NN=N[N-]2)N=C1	REAL250004592020	0	29	-1.0	-43.30	273.23	0.06	-43.24
COC(=O)C1=CN(CC(=O)NCC2=N[N-]N=N2)N=C1	REAL250004592020	1	29	-1.0	-43.29	273.17	0.04	-43.25
C[C@@H](CC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004592021	0	39	-1.0	-41.69	322.04	-0.03	-41.72
C[C@@H](CC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004592021	1	39	-1.0	-41.68	322.10	-0.01	-41.69
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL250004592022	0	30	-1.0	-43.72	275.29	1.78	-41.94
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL250004592022	1	30	-1.0	-43.71	275.24	1.76	-41.95
NC(=O)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)O1	REAL250004592023	0	28	-1.0	-38.84	268.66	-2.47	-41.31
NC(=O)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004592023	1	28	-1.0	-38.85	268.72	-2.45	-41.30
CC1=C(C(=O)NCC2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL250004592024	0	28	-1.0	-43.07	270.29	-5.07	-48.14
CC1=C(C(=O)NCC2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL250004592024	1	28	-1.0	-43.08	270.35	-5.06	-48.14
CSC1=CC=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592025	0	28	-1.0	-40.58	260.54	0.80	-39.78
CSC1=CC=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592025	1	28	-1.0	-40.57	260.60	0.82	-39.75
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=NN=N[N-]2)O1	REAL250004592026	0	33	-1.0	-44.47	297.22	2.61	-41.86
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=N[N-]N=N2)O1	REAL250004592026	1	33	-1.0	-44.42	297.17	2.59	-41.83
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004592027	0	42	-1.0	-38.32	309.59	5.59	-32.73
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004592027	1	42	-1.0	-38.29	309.64	5.60	-32.69
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL250004592028	0	27	-1.0	-40.69	265.78	-0.27	-40.96
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL250004592028	1	27	-1.0	-40.66	265.84	-0.26	-40.92
O=C(NCC1=N[N-]N=N1)C1CCC2=CC(F)=CC=C21	REAL250004592029	0	30	-1.0	-35.84	263.51	3.08	-32.76
O=C(NCC1=NN=N[N-]1)C1CCC2=CC(F)=CC=C21	REAL250004592029	1	30	-1.0	-35.84	263.55	3.09	-32.75
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004592030	0	36	-1.0	-37.22	302.51	4.48	-32.74
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004592030	1	36	-1.0	-37.20	302.57	4.49	-32.71
CCOCCN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592031	0	33	-1.0	-38.36	293.70	-0.10	-38.46
CCOCCN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592031	1	33	-1.0	-38.36	293.65	-0.12	-38.48
O=C(NCC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL250004592032	0	23	-1.0	-38.34	236.38	1.35	-36.99
O=C(NCC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250004592032	1	23	-1.0	-38.33	236.44	1.37	-36.96
CC1=NN(C2CCOCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592033	0	37	-1.0	-35.64	307.92	0.62	-35.02
CC1=NN(C2CCOCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592033	1	37	-1.0	-35.62	307.98	0.63	-34.99
CN1N=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004592034	0	23	-1.0	-37.13	251.53	-0.28	-37.41
CN1N=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004592034	1	23	-1.0	-37.14	251.47	-0.29	-37.43
O=C(NCC1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL250004592035	0	39	-1.0	-36.93	313.55	4.99	-31.94
O=C(NCC1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL250004592035	1	39	-1.0	-36.93	313.61	5.00	-31.93
O=C(NCC1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004592036	0	36	-1.0	-36.31	315.00	3.64	-32.67
O=C(NCC1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004592036	1	36	-1.0	-36.29	314.94	3.62	-32.67
O=C(NCC1=N[N-]N=N1)C1(C2CCCC2)CCNC1=O	REAL250004592037	0	37	-1.0	-41.46	289.13	-0.65	-42.11
O=C(NCC1=NN=N[N-]1)C1(C2CCCC2)CCNC1=O	REAL250004592037	1	37	-1.0	-41.44	289.19	-0.63	-42.07
CCOC1=CC=CC(C=CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592038	0	34	-1.0	-38.25	297.43	2.66	-35.59
CCOC1=CC=CC(C=CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592038	1	34	-1.0	-38.24	297.49	2.67	-35.57
COC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592039	0	31	-1.0	-38.02	275.51	1.75	-36.27
COC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592039	1	31	-1.0	-38.01	275.57	1.76	-36.25
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=N[N-]N=N1	REAL250004592040	0	26	-1.0	-37.18	258.78	2.48	-34.70
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=NN=N[N-]1	REAL250004592040	1	26	-1.0	-37.18	258.84	2.50	-34.68
CC1(C)CC1(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004592041	0	36	-1.0	-37.67	296.69	4.02	-33.65
CC1(C)CC1(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004592041	1	36	-1.0	-37.68	296.75	4.03	-33.65
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=N[N-]N=N1	REAL250004592042	0	30	-1.0	-36.47	288.64	2.12	-34.35
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=NN=N[N-]1	REAL250004592042	1	30	-1.0	-36.49	288.70	2.14	-34.35
O=C(NCC1=N[N-]N=N1)C1=CSC=C1C(F)(F)F	REAL250004592043	0	23	-1.0	-39.38	236.07	1.23	-38.15
O=C(NCC1=NN=N[N-]1)C1=CSC=C1C(F)(F)F	REAL250004592043	1	23	-1.0	-39.33	236.12	1.24	-38.09
CCCC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004592044	0	35	-1.0	-35.33	309.91	4.43	-30.90
CCCC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004592044	1	35	-1.0	-35.31	309.97	4.44	-30.87
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=NN=N[N-]1	REAL250004592045	0	33	-1.0	-37.96	287.65	0.04	-37.92
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=N[N-]N=N1	REAL250004592045	1	33	-1.0	-37.98	287.59	0.03	-37.95
CCOCCOCCCC(=O)NCC1=N[N-]N=N1	REAL250004592046	0	36	-1.0	-40.23	308.68	-0.03	-40.26
CCOCCOCCCC(=O)NCC1=NN=N[N-]1	REAL250004592046	1	36	-1.0	-40.25	308.73	-0.01	-40.26
COC1=CC=CC(C(OC)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592047	0	34	-1.0	-39.42	297.50	1.38	-38.04
COC1=CC=CC(C(OC)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592047	1	34	-1.0	-39.42	297.56	1.39	-38.03
COCCOCCOCCCC(=O)NCC1=N[N-]N=N1	REAL250004592048	0	40	-1.0	-41.82	342.30	-0.66	-42.48
COCCOCCOCCCC(=O)NCC1=NN=N[N-]1	REAL250004592048	1	40	-1.0	-41.79	342.36	-0.65	-42.44
CSC1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)O1	REAL250004592049	0	27	-1.0	-36.88	257.65	1.23	-35.65
CSC1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)O1	REAL250004592049	1	27	-1.0	-36.88	257.71	1.24	-35.64
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=NN=N[N-]1	REAL250004592050	0	35	-1.0	-48.31	285.15	-0.06	-48.37
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=N[N-]N=N1	REAL250004592050	1	35	-1.0	-48.33	285.09	-0.07	-48.40
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592051	0	30	-1.0	-60.49	273.12	-2.64	-63.13
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592051	1	30	-1.0	-60.49	273.18	-2.63	-63.12
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL250004592052	0	31	-1.0	-38.81	285.95	4.15	-34.66
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL250004592052	1	31	-1.0	-38.81	285.89	4.13	-34.68
O=C(NCC1=N[N-]N=N1)C1=C(C(F)(F)F)C=NN1	REAL250004592055	0	23	-1.0	-34.88	229.63	-1.23	-36.11
O=C(NCC1=NN=N[N-]1)C1=C(C(F)(F)F)C=NN1	REAL250004592055	1	23	-1.0	-34.85	229.69	-1.21	-36.06
CN1C=CC(NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=N1	REAL250004592057	0	35	-1.0	-43.60	306.51	2.76	-40.84
CN1C=CC(NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=N1	REAL250004592057	1	35	-1.0	-43.62	306.45	2.75	-40.87
CN1C=NC2=CN=CC(C(=O)NCC3=N[N-]N=N3)=C21	REAL250004592059	0	28	-1.0	-38.35	245.57	0.72	-37.63
CN1C=NC2=CN=CC(C(=O)NCC3=NN=N[N-]3)=C21	REAL250004592059	1	28	-1.0	-38.35	245.62	0.73	-37.62
O=C(NCC1=NN=N[N-]1)C1CCCN1C1=NC=CC=N1	REAL250004592060	0	33	-1.0	-40.45	276.67	-0.05	-40.50
O=C(NCC1=N[N-]N=N1)C1CCCN1C1=NC=CC=N1	REAL250004592060	1	33	-1.0	-40.47	276.62	-0.06	-40.53
O=C(NCC1=N[N-]N=N1)C1=CC=C(NN2C=CN=C2)C=C1	REAL250004592061	0	32	-1.0	-40.97	282.69	2.39	-38.58
O=C(NCC1=NN=N[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL250004592061	1	32	-1.0	-40.99	282.74	2.40	-38.59
O=C(CCC1=NN=C(C2CC2)O1)NCC1=N[N-]N=N1	REAL250004592062	0	31	-1.0	-39.38	281.08	-2.70	-42.08
O=C(CCC1=NN=C(C2CC2)O1)NCC1=NN=N[N-]1	REAL250004592062	1	31	-1.0	-39.38	281.14	-2.68	-42.06
CC(=O)NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL250004592063	0	29	-1.0	-42.13	264.08	-0.15	-42.28
CC(=O)NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL250004592063	1	29	-1.0	-42.15	264.03	-0.16	-42.31
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004592064	0	32	-1.0	-42.49	290.16	4.34	-38.15
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004592064	1	32	-1.0	-42.53	290.11	4.32	-38.21
O=C(NCC1=NN=N[N-]1)C1=NC=C2C(F)=CC=CN21	REAL250004592065	0	26	-1.0	-41.25	245.37	1.84	-39.41
O=C(NCC1=N[N-]N=N1)C1=NC=C2C(F)=CC=CN21	REAL250004592065	1	26	-1.0	-41.24	245.31	1.82	-39.42
CN1CCCCC(C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592066	0	33	-1.0	-36.13	257.94	0.90	-35.23
CN1CCCCC(C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592066	1	33	-1.0	-36.12	258.00	0.92	-35.20
O=C(NCC1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004592067	0	31	-1.0	-39.58	287.81	1.15	-38.43
O=C(NCC1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004592067	1	31	-1.0	-39.56	287.87	1.17	-38.39
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCCC2O)NC1=O	REAL250004592068	0	34	-1.0	-50.88	284.38	-2.30	-53.18
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL250004592068	1	34	-1.0	-50.87	284.43	-2.28	-53.15
NC1=C2N=CN(CCC(=O)NCC3=N[N-]N=N3)C2=NC=N1	REAL250004592069	0	32	-1.0	-41.38	289.68	1.29	-40.09
NC1=C2N=CN(CCC(=O)NCC3=NN=N[N-]3)C2=NC=N1	REAL250004592069	1	32	-1.0	-41.42	289.73	1.30	-40.12
O=C(NCC1=N[N-]N=N1)C1=CC2=CC(O)=C(O)C=C2S1	REAL250004592070	0	28	-1.0	-39.72	272.40	-2.28	-42.00
O=C(NCC1=NN=N[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL250004592070	1	28	-1.0	-39.71	272.45	-2.26	-41.97
O=C(CC=CCC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592071	0	33	-1.0	-37.56	291.75	4.13	-33.43
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NC1=NN=NN1C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592078	0	30	-1.0	-44.53	272.71	1.16	-43.37
NC1=NN=NN1C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592078	1	30	-1.0	-44.51	272.65	1.15	-43.36
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CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004592080	0	33	-1.0	-37.32	288.00	3.24	-34.08
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004592080	1	33	-1.0	-37.35	288.05	3.26	-34.09
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COC1=CC=C(C=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592089	0	29	-1.0	-49.74	262.02	1.55	-48.19
COC1=CC=C(C=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592089	1	29	-1.0	-49.74	262.07	1.56	-48.18
CS(=O)(=O)N1CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592090	0	28	-1.0	-41.35	262.43	-3.78	-45.13
CS(=O)(=O)N1CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592090	1	28	-1.0	-41.32	262.49	-3.76	-45.08
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004592091	0	34	-1.0	-37.48	281.30	1.20	-36.28
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004592091	1	34	-1.0	-37.47	281.36	1.21	-36.26
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004592092	0	37	-1.0	-40.28	314.55	4.03	-36.25
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004592092	1	37	-1.0	-40.27	314.61	4.04	-36.23
COCC1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004592093	0	27	-1.0	-38.42	253.44	-0.01	-38.43
COCC1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004592093	1	27	-1.0	-38.42	253.50	0.01	-38.41
CN1C=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004592094	0	30	-1.0	-40.37	265.29	3.00	-37.37
CN1C=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004592094	1	30	-1.0	-40.35	265.23	2.98	-37.37
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O=C(NCC1=N[N-]N=N1)C1(C2CCCCO2)CCC1	REAL250004592096	0	37	-1.0	-39.05	286.36	2.73	-36.32
O=C(NCC1=NN=N[N-]1)C1(C2CCCCO2)CCC1	REAL250004592096	1	37	-1.0	-39.06	286.42	2.74	-36.32
COC1=CC=C(F)C(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592097	0	31	-1.0	-42.41	282.94	0.12	-42.29
COC1=CC=C(F)C(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592097	1	31	-1.0	-42.35	283.00	0.13	-42.22
COC1=CC=NC(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592098	0	30	-1.0	-44.43	271.63	-2.75	-47.18
COC1=CC=NC(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592098	1	30	-1.0	-44.42	271.57	-2.76	-47.18
COC(=O)C1=NN(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592099	0	29	-1.0	-37.12	268.42	-0.47	-37.59
COC(=O)C1=NN(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592099	1	29	-1.0	-37.10	268.36	-0.49	-37.59
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=N[N-]N=N2)C[C@H]1C	REAL250004592100	0	33	-1.0	-41.75	288.67	1.41	-40.34
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=NN=N[N-]2)C[C@H]1C	REAL250004592100	1	33	-1.0	-41.76	288.73	1.42	-40.34
O=C(C=CC1=CC=C(Cl)S1)NCC1=N[N-]N=N1	REAL250004592101	0	24	-1.0	-36.17	253.35	2.13	-34.04
O=C(C=CC1=CC=C(Cl)S1)NCC1=NN=N[N-]1	REAL250004592101	1	24	-1.0	-36.21	253.41	2.14	-34.07
O=C(NCC1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250004592102	0	34	-1.0	-40.93	289.65	-0.13	-41.06
O=C(NCC1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL250004592102	1	34	-1.0	-40.95	289.59	-0.15	-41.10
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=N[N-]N=N1)OC2=O	REAL250004592103	0	36	-1.0	-40.76	289.25	1.42	-39.34
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=NN=N[N-]1)OC2=O	REAL250004592103	1	36	-1.0	-40.78	289.31	1.43	-39.35
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL250004592104	0	33	-1.0	-37.61	292.59	3.77	-33.84
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL250004592104	1	33	-1.0	-37.59	292.65	3.79	-33.80
O=C(NCC1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL250004592105	0	31	-1.0	-43.30	271.75	-0.40	-43.70
O=C(NCC1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250004592105	1	31	-1.0	-43.24	271.81	-0.38	-43.62
O=C(CC1CCC(F)(F)CC1)NCC1=N[N-]N=N1	REAL250004592106	0	32	-1.0	-36.13	267.14	2.33	-33.80
O=C(CC1CCC(F)(F)CC1)NCC1=NN=N[N-]1	REAL250004592106	1	32	-1.0	-36.16	267.19	2.34	-33.82
CC1=CN(CC(=O)NCC2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004592107	0	29	-1.0	-43.86	278.07	0.97	-42.89
CC1=CN(CC(=O)NCC2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004592107	1	29	-1.0	-43.88	278.01	0.96	-42.92
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592108	0	33	-1.0	-36.97	285.51	3.94	-33.03
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592108	1	33	-1.0	-36.97	285.56	3.95	-33.02
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C#CCO)=C1	REAL250004592109	0	29	-1.0	-40.69	272.03	0.05	-40.64
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C#CCO)=C1	REAL250004592109	1	29	-1.0	-40.66	272.09	0.07	-40.59
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=N[N-]N=N1	REAL250004592110	0	37	-1.0	-37.84	311.02	-4.34	-42.18
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=NN=N[N-]1	REAL250004592110	1	37	-1.0	-37.79	311.08	-4.33	-42.12
COC1=CC(CO)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592111	0	31	-1.0	-42.94	271.69	-0.88	-43.82
COC1=CC(CO)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592111	1	31	-1.0	-42.94	271.74	-0.86	-43.80
O=C(CC1CCN(CC(F)F)CC1)NCC1=N[N-]N=N1	REAL250004592112	0	37	-1.0	-39.70	293.86	0.25	-39.45
O=C(CC1CCN(CC(F)F)CC1)NCC1=NN=N[N-]1	REAL250004592112	1	37	-1.0	-39.67	293.92	0.26	-39.41
COC1=CC(OC)=C(C(=O)NCC2=N[N-]N=N2)C=C1C=O	REAL250004592113	0	33	-1.0	-42.57	289.18	2.17	-40.40
COC1=CC(OC)=C(C(=O)NCC2=NN=N[N-]2)C=C1C=O	REAL250004592113	1	33	-1.0	-42.55	289.23	2.19	-40.36
O=C(CC(O)COCC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592115	0	37	-1.0	-42.84	322.96	0.62	-42.22
O=C(CC(O)COCC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592115	1	37	-1.0	-42.86	323.02	0.63	-42.23
CS(C)(=O)=NC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592116	0	33	-1.0	-54.23	292.07	-0.44	-54.67
CS(C)(=O)=NC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592116	1	33	-1.0	-54.22	292.13	-0.43	-54.65
CC1CCC2=NC(C(=O)NCC3=N[N-]N=N3)=CN2C1	REAL250004592117	0	33	-1.0	-43.40	279.69	1.98	-41.42
CC1CCC2=NC(C(=O)NCC3=NN=N[N-]3)=CN2C1	REAL250004592117	1	33	-1.0	-43.39	279.74	2.00	-41.39
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004592118	0	32	-1.0	-39.50	281.31	3.08	-36.42
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004592118	1	32	-1.0	-39.53	281.25	3.06	-36.47
CC1=NC=C(C=CC(=O)NCC2=N[N-]N=N2)S1	REAL250004592119	0	26	-1.0	-37.70	253.36	0.41	-37.29
CC1=NC=C(C=CC(=O)NCC2=NN=N[N-]2)S1	REAL250004592119	1	26	-1.0	-37.67	253.42	0.42	-37.25
O=C(NCC1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004592120	0	33	-1.0	-47.08	284.26	0.58	-46.50
O=C(NCC1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004592120	1	33	-1.0	-47.09	284.20	0.57	-46.52
NC(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592121	0	29	-1.0	-40.77	268.05	-3.01	-43.78
NC(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592121	1	29	-1.0	-40.77	267.99	-3.02	-43.79
CC1=C(C)C(=O)N(CCC(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592122	0	33	-1.0	-40.96	299.09	0.55	-40.41
CC1=C(C)C(=O)N(CCC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592122	1	33	-1.0	-40.96	299.14	0.57	-40.39
O=C(NCC1=N[N-]N=N1)C1CC2CSCC(C1)C2=O	REAL250004592123	0	33	-1.0	-37.29	270.94	1.86	-35.43
O=C(NCC1=NN=N[N-]1)C1CC2CSCC(C1)C2=O	REAL250004592123	1	33	-1.0	-37.26	271.00	1.87	-35.39
CCOC(=O)C1CCCN(CC(=O)NCC2=N[N-]N=N2)C1	REAL250004592124	0	40	-1.0	-41.54	328.60	0.91	-40.63
CCOC(=O)C1CCCN(CC(=O)NCC2=NN=N[N-]2)C1	REAL250004592124	1	40	-1.0	-41.50	328.66	0.93	-40.57
CCC(C)C(C(=O)NCC1=N[N-]N=N1)N1C=CC=C1C=O	REAL250004592125	0	38	-1.0	-38.44	298.22	3.17	-35.27
CCC(C)C(C(=O)NCC1=NN=N[N-]1)N1C=CC=C1C=O	REAL250004592125	1	38	-1.0	-38.41	298.27	3.19	-35.22
O=C(NCC1=N[N-]N=N1)C1CCC(N2CCOCC2)CC1	REAL250004592126	1	42	-1.0	-37.60	314.22	-0.45	-38.05
O=C(NCC1=NN=N[N-]1)C1CCC(N2CCOCC2)CC1	REAL250004592126	1	42	-1.0	-37.59	314.28	-0.44	-38.03
CC1=NNC(C(=O)NCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004592127	0	26	-1.0	-34.78	246.76	-0.71	-35.49
CC1=NNC(C(=O)NCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004592127	1	26	-1.0	-34.81	246.81	-0.70	-35.51
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CC1(C(=O)NCC2=NN=N[N-]2)OC2=CC=CC=C2NC1=O	REAL250004592160	1	32	-1.0	-38.50	283.30	-0.87	-39.37
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CC(C)(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004592162	0	34	-1.0	-34.21	302.94	2.53	-31.68
CC(C)(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004592162	1	34	-1.0	-34.19	302.88	2.51	-31.68
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CCC1=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=NN1	REAL250004592164	0	26	-1.0	-38.32	255.68	-0.66	-38.98
CCC1=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=NN1	REAL250004592164	1	26	-1.0	-38.31	255.73	-0.65	-38.96
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CN1C(=O)COC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004592167	0	32	-1.0	-38.17	278.70	0.22	-37.95
CN1C(=O)COC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004592167	1	32	-1.0	-38.17	278.75	0.24	-37.93
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CC1(Br)CC1C(=O)NCC1=N[N-]N=N1	REAL250004592169	0	23	-1.0	-37.05	224.43	0.99	-36.06
CC1(Br)CC1C(=O)NCC1=NN=N[N-]1	REAL250004592169	1	23	-1.0	-37.04	224.48	1.01	-36.03
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CC(C)(C(=O)NCC1=NN=N[N-]1)C1CCCCO1	REAL250004592173	1	36	-1.0	-38.51	280.22	2.05	-36.46
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CN1C(=O)CN(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592176	1	28	-1.0	-43.64	259.02	-1.11	-44.75
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CCC1=C(CC(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004592180	0	35	-1.0	-40.17	305.95	3.84	-36.33
CCC1=C(CC(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004592180	1	35	-1.0	-40.19	306.01	3.85	-36.34
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CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL250004592182	0	35	-1.0	-41.84	304.56	2.22	-39.62
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL250004592182	1	35	-1.0	-41.87	304.50	2.20	-39.67
CC1=CN(C2CCOCC2)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004592183	0	37	-1.0	-41.15	308.13	0.56	-40.59
CC1=CN(C2CCOCC2)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004592183	1	37	-1.0	-41.16	308.07	0.54	-40.62
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CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004592189	0	29	-1.0	-36.08	265.91	2.76	-33.32
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004592189	1	29	-1.0	-36.08	265.97	2.77	-33.31
CCOC1=CC=CC(CCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592190	0	36	-1.0	-37.77	308.94	2.96	-34.81
CCOC1=CC=CC(CCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592190	1	36	-1.0	-37.76	309.00	2.97	-34.79
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=N[N-]N=N1	REAL250004592191	0	42	-1.0	-42.03	336.38	2.80	-39.23
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NN=N[N-]1	REAL250004592191	1	42	-1.0	-42.05	336.43	2.81	-39.24
CC1=CN2CCC(C(=O)NCC3=N[N-]N=N3)CC2=N1	REAL250004592192	0	33	-1.0	-40.57	278.31	1.97	-38.60
CC1=CN2CCC(C(=O)NCC3=NN=N[N-]3)CC2=N1	REAL250004592192	1	33	-1.0	-40.55	278.36	1.99	-38.56
O=C(CC1=C2CCCCN2N=C1)NCC1=N[N-]N=N1	REAL250004592193	0	33	-1.0	-40.97	279.92	1.31	-39.66
O=C(CC1=C2CCCCN2N=C1)NCC1=NN=N[N-]1	REAL250004592193	1	33	-1.0	-40.92	279.98	1.33	-39.59
CC1=CN2C=C(CC(=O)NCC3=NN=N[N-]3)N=C2S1	REAL250004592194	0	29	-1.0	-47.46	274.69	2.58	-44.88
COC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004592196	0	27	-1.0	-38.71	266.74	0.87	-37.84
COC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004592196	1	27	-1.0	-38.72	266.80	0.88	-37.84
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004592197	0	29	-1.0	-44.14	276.84	2.33	-41.81
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004592197	1	29	-1.0	-44.13	276.90	2.35	-41.78
CC1(C(=O)NCC2=N[N-]N=N2)COC2=CC=CC=C2O1	REAL250004592198	0	32	-1.0	-39.10	277.15	1.14	-37.96
CC1(C(=O)NCC2=NN=N[N-]2)COC2=CC=CC=C2O1	REAL250004592198	1	32	-1.0	-39.10	277.21	1.16	-37.94
COC(=O)C=CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592199	0	33	-1.0	-39.17	298.48	3.16	-36.01
COC(=O)C=CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592199	1	33	-1.0	-39.15	298.54	3.17	-35.98
O=C(CC1CC2=CC=CC=C2O1)NCC1=N[N-]N=N1	REAL250004592200	0	31	-1.0	-41.68	271.11	2.06	-39.62
O=C(CC1CC2=CC=CC=C2O1)NCC1=NN=N[N-]1	REAL250004592200	1	31	-1.0	-41.69	271.17	2.08	-39.61
CC(C)CC1(C(=O)NCC2=N[N-]N=N2)CCNC1=O	REAL250004592201	0	36	-1.0	-40.92	281.30	-1.18	-42.10
CC(C)CC1(C(=O)NCC2=NN=N[N-]2)CCNC1=O	REAL250004592201	1	36	-1.0	-40.91	281.35	-1.17	-42.08
O=C(CC1=CC=C(O)C(Cl)=C1)NCC1=N[N-]N=N1	REAL250004592202	0	27	-1.0	-38.76	263.24	-0.38	-39.14
O=C(CC1=CC=C(O)C(Cl)=C1)NCC1=NN=N[N-]1	REAL250004592202	1	27	-1.0	-38.80	263.29	-0.36	-39.16
CC1=CC(C)=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004592203	0	36	-1.0	-37.56	301.99	4.16	-33.40
CC1=CC(C)=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004592203	1	36	-1.0	-37.57	302.05	4.17	-33.40
CC1(C(=O)NCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004592204	0	32	-1.0	-34.83	260.82	2.00	-32.83
CC1(C(=O)NCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004592204	1	32	-1.0	-34.81	260.88	2.01	-32.80
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004592205	0	32	-1.0	-37.91	262.73	2.09	-35.82
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004592205	1	32	-1.0	-37.92	262.79	2.11	-35.81
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004592206	0	30	-1.0	-38.26	280.88	3.66	-34.60
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004592206	1	30	-1.0	-38.24	280.94	3.68	-34.56
CC(C(=O)NCC1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004592207	0	29	-1.0	-39.01	276.33	0.83	-38.18
CC(C(=O)NCC1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004592207	1	29	-1.0	-39.03	276.28	0.81	-38.22
CC1=CC=CC(COC(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592208	0	36	-1.0	-39.43	311.86	3.68	-35.75
CC1=CC=CC(COC(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592208	1	36	-1.0	-39.44	311.91	3.69	-35.75
O=C(C=CC1=CC=CC=C1C(F)(F)F)NCC1=N[N-]N=N1	REAL250004592209	0	30	-1.0	-39.86	279.63	3.25	-36.61
O=C(C=CC1=CC=CC=C1C(F)(F)F)NCC1=NN=N[N-]1	REAL250004592209	1	30	-1.0	-39.87	279.69	3.27	-36.60
O=C(C=CC1=CC=C2NC=CC2=C1)NCC1=N[N-]N=N1	REAL250004592210	0	31	-1.0	-40.46	277.42	2.48	-37.98
O=C(C=CC1=CC=C2NC=CC2=C1)NCC1=NN=N[N-]1	REAL250004592210	1	31	-1.0	-40.49	277.48	2.49	-38.00
COC(=O)C1=COC(C=CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592211	0	30	-1.0	-40.86	285.49	1.31	-39.55
COC(=O)C1=COC(C=CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592211	1	30	-1.0	-40.89	285.55	1.33	-39.56
O=C(NCC1=NN=N[N-]1)C1=CN(CC2CCCC2)N=C1	REAL250004592212	0	36	-1.0	-38.96	303.30	2.55	-36.41
O=C(NCC1=N[N-]N=N1)C1=CN(CC2CCCC2)N=C1	REAL250004592212	1	36	-1.0	-38.94	303.24	2.54	-36.40
COCCN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592213	0	30	-1.0	-38.44	271.85	-1.07	-39.51
COCCN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592213	1	30	-1.0	-38.38	271.79	-1.09	-39.47
COCCN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004592214	0	33	-1.0	-38.27	287.62	-0.60	-38.87
COCCN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004592214	1	33	-1.0	-38.26	287.68	-0.59	-38.85
CC1(C)[C@H](C(=O)NCC2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL250004592215	0	36	-1.0	-36.15	297.01	4.23	-31.92
CC1(C)[C@H](C(=O)NCC2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL250004592215	1	36	-1.0	-36.15	297.06	4.24	-31.91
COC1=CC(C)=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004592216	0	33	-1.0	-37.79	277.02	1.97	-35.82
COC1=CC(C)=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004592216	1	33	-1.0	-37.81	277.08	1.98	-35.83
O=C(CC1(C2=CC=CC=C2)CC1)NCC1=N[N-]N=N1	REAL250004592217	0	33	-1.0	-37.12	283.91	3.82	-33.30
O=C(CC1(C2=CC=CC=C2)CC1)NCC1=NN=N[N-]1	REAL250004592217	1	33	-1.0	-37.13	283.97	3.84	-33.29
O=C(CC1=COC2=CC(Cl)=CC=C12)NCC1=N[N-]N=N1	REAL250004592218	0	29	-1.0	-38.54	280.74	2.80	-35.74
O=C(CC1=COC2=CC(Cl)=CC=C12)NCC1=NN=N[N-]1	REAL250004592218	1	29	-1.0	-38.54	280.79	2.82	-35.72
CCC1=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=CC=C1	REAL250004592219	0	33	-1.0	-36.64	287.81	2.58	-34.06
CCC1=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=CC=C1	REAL250004592219	1	33	-1.0	-36.66	287.75	2.57	-34.09
O=C(NCC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004592220	0	28	-1.0	-39.18	244.29	0.00	-39.18
O=C(NCC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004592220	1	28	-1.0	-39.16	244.34	0.01	-39.15
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCC1=N[N-]N=N1	REAL250004592221	0	35	-1.0	-36.81	305.62	4.88	-31.93
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCC1=NN=N[N-]1	REAL250004592221	1	35	-1.0	-36.79	305.67	4.90	-31.89
CCOC(=O)C1(CC(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004592222	0	39	-1.0	-41.21	313.04	1.44	-39.77
CCOC(=O)C1(CC(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004592222	1	39	-1.0	-41.20	313.09	1.46	-39.74
O=C(NCC1=N[N-]N=N1)C1=CC(O)=CC(Br)=C1	REAL250004592223	0	24	-1.0	-36.29	243.88	-0.99	-37.28
O=C(NCC1=NN=N[N-]1)C1=CC(O)=CC(Br)=C1	REAL250004592223	1	24	-1.0	-36.26	243.93	-0.97	-37.23
O=C(NCC1=N[N-]N=N1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004592224	0	31	-1.0	-35.43	287.24	4.32	-31.11
O=C(NCC1=NN=N[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004592224	1	31	-1.0	-35.42	287.30	4.33	-31.09
O=C(NCC1=N[N-]N=N1)C1CC2=CC=C(Cl)C=C21	REAL250004592225	0	27	-1.0	-37.06	257.99	2.99	-34.07
O=C(NCC1=NN=N[N-]1)C1CC2=CC=C(Cl)C=C21	REAL250004592225	1	27	-1.0	-37.03	258.05	3.00	-34.03
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CCOCC2)C=C1	REAL250004592226	0	37	-1.0	-37.72	304.07	2.63	-35.09
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL250004592226	1	37	-1.0	-37.71	304.13	2.64	-35.07
CN1CC(=O)NC2=CC(C(=O)NCC3=NN=N[N-]3)=CN=C21	REAL250004592227	0	32	-1.0	-37.61	281.10	-2.85	-40.46
CN1CC(=O)NC2=CC(C(=O)NCC3=N[N-]N=N3)=CN=C21	REAL250004592227	1	32	-1.0	-37.61	281.04	-2.86	-40.47
COC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1O	REAL250004592228	0	32	-1.0	-39.74	286.26	-0.41	-40.15
COC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1O	REAL250004592228	1	32	-1.0	-39.71	286.31	-0.39	-40.10
O=C(NCC1=NN=N[N-]1)C1=CC2=NC=CC=C2C=C1	REAL250004592229	0	28	-1.0	-41.41	252.69	1.64	-39.77
O=C(NCC1=N[N-]N=N1)C1=CC2=NC=CC=C2C=C1	REAL250004592229	1	28	-1.0	-41.44	252.63	1.62	-39.82
O=C(CCC1=CC=C(C(F)F)C=C1)NCC1=N[N-]N=N1	REAL250004592230	0	32	-1.0	-37.98	291.75	3.66	-34.32
O=C(CCC1=CC=C(C(F)F)C=C1)NCC1=NN=N[N-]1	REAL250004592230	1	32	-1.0	-38.01	291.81	3.68	-34.33
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C(F)F)=C1	REAL250004592231	0	25	-1.0	-39.39	240.83	0.40	-38.99
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL250004592231	1	25	-1.0	-39.40	240.78	0.38	-39.02
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004592232	0	33	-1.0	-35.74	293.60	-0.20	-35.94
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004592232	1	33	-1.0	-35.75	293.66	-0.18	-35.93
NC1=C(C(=O)NCC2=NN=N[N-]2)SC2=NC=CC=C12	REAL250004592233	0	27	-1.0	-43.48	254.53	-1.04	-44.52
NC1=C(C(=O)NCC2=N[N-]N=N2)SC2=NC=CC=C12	REAL250004592233	1	27	-1.0	-43.52	254.48	-1.06	-44.58
O=C(NCC1=NN=N[N-]1)C1=CN=C(NC2CC2)S1	REAL250004592234	0	28	-1.0	-37.27	267.98	0.19	-37.08
O=C(NCC1=N[N-]N=N1)C1=CN=C(NC2CC2)S1	REAL250004592234	1	28	-1.0	-37.29	267.92	0.18	-37.11
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004592235	0	30	-1.0	-37.45	272.92	2.85	-34.60
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004592235	1	30	-1.0	-37.41	272.98	2.86	-34.55
CCOC(C(=O)NCC1=N[N-]N=N1)C1CCOC1	REAL250004592236	0	34	-1.0	-37.72	284.68	0.13	-37.59
CCOC(C(=O)NCC1=NN=N[N-]1)C1CCOC1	REAL250004592236	1	34	-1.0	-37.72	284.74	0.15	-37.57
COC1=CC=CC(C(C)(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592237	0	36	-1.0	-39.83	296.71	2.15	-37.68
COC1=CC=CC(C(C)(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592237	1	36	-1.0	-39.85	296.76	2.17	-37.68
CC(C)(C)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592238	0	38	-1.0	-36.77	308.04	4.26	-32.51
CC(C)(C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592238	1	38	-1.0	-36.81	308.09	4.27	-32.54
CCOC1COCCC1CC(=O)NCC1=N[N-]N=N1	REAL250004592239	0	37	-1.0	-36.78	299.49	0.19	-36.59
CCOC1COCCC1CC(=O)NCC1=NN=N[N-]1	REAL250004592239	1	37	-1.0	-36.76	299.54	0.20	-36.56
O=C(C=CCCC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592240	0	33	-1.0	-37.22	292.24	4.11	-33.11
O=C(C=CCCC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592240	1	33	-1.0	-37.19	292.30	4.12	-33.07
O=C(C=CCOC1CCOCC1)NCC1=N[N-]N=N1	REAL250004592241	0	35	-1.0	-38.86	298.05	-0.16	-39.02
O=C(C=CCOC1CCOCC1)NCC1=NN=N[N-]1	REAL250004592241	1	35	-1.0	-38.84	298.11	-0.15	-38.99
O=C(C=CC1=CC=C(Cl)N=C1)NCC1=N[N-]N=N1	REAL250004592242	0	26	-1.0	-38.11	257.84	1.09	-37.02
O=C(C=CC1=CC=C(Cl)N=C1)NCC1=NN=N[N-]1	REAL250004592242	1	26	-1.0	-38.15	257.90	1.11	-37.04
COC(=O)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)O1	REAL250004592243	0	30	-1.0	-38.91	287.00	1.49	-37.42
COC(=O)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004592243	1	30	-1.0	-38.91	287.06	1.51	-37.40
CN1C=C(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C=N1	REAL250004592244	0	33	-1.0	-41.31	291.60	2.55	-38.76
CN1C=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C=N1	REAL250004592244	1	33	-1.0	-41.31	291.54	2.54	-38.77
CC1=NN(CC(=O)NCC2=N[N-]N=N2)C(C(F)F)=C1	REAL250004592245	0	29	-1.0	-42.77	272.16	0.61	-42.16
CC1=NN(CC(=O)NCC2=NN=N[N-]2)C(C(F)F)=C1	REAL250004592245	1	29	-1.0	-42.78	272.22	0.62	-42.16
O=C(CC1=CN2C=C(F)C=CC2=N1)NCC1=N[N-]N=N1	REAL250004592246	0	29	-1.0	-44.14	268.72	2.60	-41.54
O=C(CC1=CN2C=C(F)C=CC2=N1)NCC1=NN=N[N-]1	REAL250004592246	1	29	-1.0	-44.12	268.78	2.62	-41.50
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004592247	0	35	-1.0	-40.93	296.29	2.40	-38.53
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004592247	1	35	-1.0	-40.90	296.35	2.41	-38.49
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CC1(C)[C@@H]2CC[C@@]1(C(=O)NCC1=N[N-]N=N1)C(=O)C2	REAL250004592292	0	35	-1.0	-43.98	275.48	1.60	-42.38
CC1(C)[C@@H]2CC[C@@]1(C(=O)NCC1=NN=N[N-]1)C(=O)C2	REAL250004592292	1	35	-1.0	-43.98	275.53	1.62	-42.36
CSC1=NC=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592293	0	26	-1.0	-46.72	251.65	-1.19	-47.91
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CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004592294	0	33	-1.0	-39.71	278.24	0.00	-39.71
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CS(C)(=O)=NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592307	0	33	-1.0	-55.10	292.44	-0.35	-55.45
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592307	1	33	-1.0	-55.09	292.50	-0.34	-55.43
CC(C)(C)C1=CSC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592308	0	31	-1.0	-38.34	279.54	0.90	-37.44
CC(C)(C)C1=CSC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592308	1	31	-1.0	-38.35	279.48	0.88	-37.47
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL250004592309	0	34	-1.0	-36.95	294.17	3.24	-33.71
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL250004592309	1	34	-1.0	-36.92	294.23	3.25	-33.67
CC1=C(CC(=O)NCC2=N[N-]N=N2)C(=O)NC(=O)N1	REAL250004592310	0	29	-1.0	-46.04	262.02	-3.44	-49.48
CC1=C(CC(=O)NCC2=NN=N[N-]2)C(=O)NC(=O)N1	REAL250004592310	1	29	-1.0	-46.00	262.08	-3.43	-49.43
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NCC1=N[N-]N=N1	REAL250004592311	0	31	-1.0	-42.97	279.85	1.67	-41.30
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NCC1=NN=N[N-]1	REAL250004592311	1	31	-1.0	-42.94	279.90	1.68	-41.26
CCC(O)CN1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004592312	0	32	-1.0	-45.50	287.38	-3.32	-48.82
CCC(O)CN1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004592312	1	32	-1.0	-45.50	287.33	-3.34	-48.84
O=C(NCC1=N[N-]N=N1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL250004592313	0	29	-1.0	-38.42	271.01	1.18	-37.24
O=C(NCC1=NN=N[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL250004592313	1	29	-1.0	-38.41	271.07	1.20	-37.21
CS(C)(=O)=NC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592314	0	33	-1.0	-54.43	290.72	-0.17	-54.60
CS(C)(=O)=NC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592314	1	33	-1.0	-54.43	290.77	-0.16	-54.59
O=C(CC1=NC(C2CC2)=CS1)NCC1=N[N-]N=N1	REAL250004592315	0	29	-1.0	-39.28	271.83	1.10	-38.18
O=C(CC1=NC(C2CC2)=CS1)NCC1=NN=N[N-]1	REAL250004592315	1	29	-1.0	-39.26	271.88	1.11	-38.15
CCCCCCC(O)CCC(=O)NCC1=N[N-]N=N1	REAL250004592316	0	41	-1.0	-35.90	336.24	1.15	-34.75
CCCCCCC(O)CCC(=O)NCC1=NN=N[N-]1	REAL250004592316	1	41	-1.0	-35.95	336.29	1.16	-34.79
COC1=CN=NC(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592317	0	29	-1.0	-41.36	266.79	-4.06	-45.42
COC1=CN=NC(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592317	1	29	-1.0	-41.35	266.74	-4.08	-45.43
O=C(CS(=O)C1=CC=C(Cl)C=C1)NCC1=N[N-]N=N1	REAL250004592318	0	28	-1.0	-45.13	283.43	0.52	-44.61
O=C(CS(=O)C1=CC=C(Cl)C=C1)NCC1=NN=N[N-]1	REAL250004592318	1	28	-1.0	-45.14	283.49	0.53	-44.61
CC1CCC2=NNC=C2C1C(=O)NCC1=N[N-]N=N1	REAL250004592319	0	33	-1.0	-39.13	271.76	0.56	-38.57
CC1CCC2=NNC=C2C1C(=O)NCC1=NN=N[N-]1	REAL250004592319	1	33	-1.0	-39.09	271.82	0.57	-38.52
O=C(NCC1=N[N-]N=N1)C1=CN=C(CC2CC2)S1	REAL250004592320	0	29	-1.0	-36.58	273.00	1.42	-35.16
O=C(NCC1=NN=N[N-]1)C1=CN=C(CC2CC2)S1	REAL250004592320	1	29	-1.0	-36.55	273.06	1.43	-35.12
CSC1=NC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004592321	0	25	-1.0	-40.39	242.10	-1.06	-41.45
CSC1=NC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004592321	1	25	-1.0	-40.43	242.04	-1.07	-41.50
CC1=CC2=C(S1)C(CC(=O)NCC1=N[N-]N=N1)=CS2	REAL250004592322	0	29	-1.0	-38.56	284.97	3.15	-35.41
CC1=CC2=C(S1)C(CC(=O)NCC1=NN=N[N-]1)=CS2	REAL250004592322	1	29	-1.0	-38.58	285.02	3.16	-35.42
CN1N=C2CCSCC2=C1C(=O)NCC1=N[N-]N=N1	REAL250004592323	0	31	-1.0	-36.53	280.68	0.96	-35.57
CN1N=C2CCSCC2=C1C(=O)NCC1=NN=N[N-]1	REAL250004592323	1	31	-1.0	-36.50	280.74	0.97	-35.53
CC1=CC=C(NC2CC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592324	0	35	-1.0	-37.91	293.55	2.75	-35.16
CC1=CC=C(NC2CC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592324	1	35	-1.0	-37.88	293.61	2.76	-35.12
CCCCNC1=NC(CC(=O)NCC2=N[N-]N=N2)=CS1	REAL250004592325	0	36	-1.0	-40.97	321.04	1.35	-39.62
CCCCNC1=NC(CC(=O)NCC2=NN=N[N-]2)=CS1	REAL250004592325	1	36	-1.0	-40.98	321.10	1.37	-39.61
O=C(CCCC(=O)C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592326	0	34	-1.0	-44.86	299.31	3.34	-41.52
O=C(CCCC(=O)C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592326	1	34	-1.0	-44.83	299.37	3.35	-41.48
O=C(NCC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2NC1=O	REAL250004592327	0	29	-1.0	-46.82	267.16	0.65	-46.17
O=C(NCC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL250004592327	1	29	-1.0	-46.87	267.22	0.66	-46.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)O1	REAL250004592328	0	36	-1.0	-38.75	305.69	-1.43	-40.18
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL250004592328	1	36	-1.0	-38.76	305.75	-1.41	-40.17
O=C(NCC1=NN=N[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004592329	0	31	-1.0	-58.06	286.25	-4.42	-62.48
O=C(NCC1=N[N-]N=N1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004592329	1	31	-1.0	-58.09	286.19	-4.43	-62.52
O=C(NCC1=N[N-]N=N1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004592330	0	33	-1.0	-35.01	285.25	3.59	-31.42
O=C(NCC1=NN=N[N-]1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004592330	1	33	-1.0	-34.99	285.31	3.61	-31.38
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004592331	0	39	-1.0	-37.57	321.18	3.57	-34.00
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004592331	1	39	-1.0	-37.62	321.12	3.55	-34.07
O=C(NCC1=N[N-]N=N1)C1=CSC(C2=NC=CN2)=N1	REAL250004592332	0	26	-1.0	-49.33	260.59	-1.21	-50.54
O=C(NCC1=NN=N[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL250004592332	1	26	-1.0	-49.29	260.65	-1.20	-50.49
O=C(NCC1=NN=N[N-]1)C1=C(C2CC2)SC=N1	REAL250004592333	0	26	-1.0	-40.83	246.05	0.55	-40.28
O=C(NCC1=N[N-]N=N1)C1=C(C2CC2)SC=N1	REAL250004592333	1	26	-1.0	-40.86	246.00	0.53	-40.33
CC1=CC(C)=C(CC(=O)NCC2=N[N-]N=N2)S1	REAL250004592334	0	29	-1.0	-37.31	266.70	2.39	-34.92
CC1=CC(C)=C(CC(=O)NCC2=NN=N[N-]2)S1	REAL250004592334	1	29	-1.0	-37.28	266.75	2.41	-34.87
CCN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1C1CC1	REAL250004592335	0	33	-1.0	-39.33	282.33	1.72	-37.61
CCN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1C1CC1	REAL250004592335	1	33	-1.0	-39.32	282.38	1.73	-37.59
CC1=CN=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592336	0	25	-1.0	-37.48	240.73	0.56	-36.92
CC1=CN=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592336	1	25	-1.0	-37.47	240.68	0.54	-36.93
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=N[N-]N=N1	REAL250004592337	0	30	-1.0	-38.86	272.14	1.11	-37.75
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=NN=N[N-]1	REAL250004592337	1	30	-1.0	-38.88	272.20	1.13	-37.75
CCC1=CC=C(C2=CC(C(=O)NCC3=NN=N[N-]3)=NO2)C=C1	REAL250004592338	0	35	-1.0	-37.81	313.13	3.73	-34.08
CCC1=CC=C(C2=CC(C(=O)NCC3=N[N-]N=N3)=NO2)C=C1	REAL250004592338	1	35	-1.0	-37.83	313.08	3.71	-34.12
CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004592339	0	32	-1.0	-38.71	276.22	2.88	-35.83
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004592339	1	32	-1.0	-38.71	276.28	2.90	-35.81
COC(=O)C1=NN(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592340	0	29	-1.0	-45.93	272.48	0.05	-45.88
COC(=O)C1=NN(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592340	1	29	-1.0	-45.93	272.43	0.04	-45.89
COC(=O)C1=NN(CCCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592341	0	35	-1.0	-46.97	316.10	1.41	-45.56
COC(=O)C1=NN(CCCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592341	1	35	-1.0	-46.99	316.04	1.40	-45.59
CCCCC1=NC(C)=C(CC(=O)NCC2=N[N-]N=N2)S1	REAL250004592342	0	37	-1.0	-38.01	326.92	2.73	-35.28
CCCCC1=NC(C)=C(CC(=O)NCC2=NN=N[N-]2)S1	REAL250004592342	1	37	-1.0	-38.02	326.97	2.75	-35.27
CC1=C(CC(=O)NCC2=N[N-]N=N2)SC(C2CCC2)=N1	REAL250004592343	0	35	-1.0	-38.34	310.31	2.57	-35.77
CC1=C(CC(=O)NCC2=NN=N[N-]2)SC(C2CCC2)=N1	REAL250004592343	1	35	-1.0	-38.33	310.37	2.58	-35.75
NC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592344	0	28	-1.0	-33.94	260.58	0.45	-33.49
NC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592344	1	28	-1.0	-33.95	260.63	0.47	-33.48
NC1=CC(Cl)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592345	0	25	-1.0	-34.16	238.67	-0.03	-34.19
NC1=CC(Cl)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592345	1	25	-1.0	-34.19	238.73	-0.01	-34.20
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592346	0	27	-1.0	-34.11	250.06	0.12	-33.99
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592346	1	27	-1.0	-34.09	250.12	0.13	-33.96
COC(=O)C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592347	0	29	-1.0	-44.96	262.54	2.79	-42.17
COC(=O)C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592347	1	29	-1.0	-44.97	262.60	2.81	-42.16
CS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(N)=C1	REAL250004592348	0	31	-1.0	-42.95	282.53	-3.01	-45.96
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(N)=C1	REAL250004592348	1	31	-1.0	-42.93	282.59	-3.00	-45.93
C=CC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592349	0	31	-1.0	-42.68	279.95	0.67	-42.01
C=CC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592349	1	31	-1.0	-42.69	280.00	0.69	-42.00
NC1=CC(Br)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592350	0	25	-1.0	-34.11	243.20	0.07	-34.04
NC1=CC(Br)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592350	1	25	-1.0	-34.12	243.26	0.09	-34.03
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)C=C1O	REAL250004592351	0	32	-1.0	-38.42	281.09	2.58	-35.84
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)C=C1O	REAL250004592351	1	32	-1.0	-38.42	281.15	2.59	-35.83
[N-]=[N+]=NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592352	0	28	-1.0	-38.01	263.08	-1.47	-39.48
[N-]=[N+]=NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592352	1	28	-1.0	-37.98	263.14	-1.45	-39.43
COC(=O)CCC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592353	0	35	-1.0	-40.58	301.32	3.45	-37.13
COC(=O)CCC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592353	1	35	-1.0	-40.57	301.38	3.46	-37.11
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004592354	0	34	-1.0	-43.71	294.87	0.76	-42.95
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004592354	1	34	-1.0	-43.66	294.93	0.78	-42.88
CC1=NC(C(C)C)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592355	0	33	-1.0	-34.57	281.32	1.08	-33.49
CC1=NC(C(C)C)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592355	1	33	-1.0	-34.57	281.38	1.09	-33.48
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004592356	0	33	-1.0	-42.83	268.57	-1.50	-44.33
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004592356	1	33	-1.0	-42.87	268.63	-1.48	-44.35
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004592357	0	28	-1.0	-48.09	257.31	-0.46	-48.55
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004592357	1	28	-1.0	-48.04	257.37	-0.44	-48.48
O=C(CNC(=O)N1CCCC1)NCC1=N[N-]N=N1	REAL250004592358	0	32	-1.0	-38.76	274.56	-1.38	-40.14
O=C(CNC(=O)N1CCCC1)NCC1=NN=N[N-]1	REAL250004592358	1	32	-1.0	-38.75	274.62	-1.37	-40.12
O=C(NCC1=N[N-]N=N1)C1CCC2=NN=CN2CC1	REAL250004592359	0	32	-1.0	-44.49	265.94	2.80	-41.69
O=C(NCC1=NN=N[N-]1)C1CCC2=NN=CN2CC1	REAL250004592359	1	32	-1.0	-44.49	266.00	2.81	-41.68
C=CCCCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004592360	0	39	-1.0	-36.05	329.68	5.21	-30.84
C=CCCCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004592360	1	39	-1.0	-36.06	329.74	5.23	-30.83
CC1(C(=O)NCC2=N[N-]N=N2)OCCC2=CC=CC=C21	REAL250004592361	0	34	-1.0	-37.39	281.22	1.81	-35.58
CC1(C(=O)NCC2=NN=N[N-]2)OCCC2=CC=CC=C21	REAL250004592361	1	34	-1.0	-37.38	281.28	1.82	-35.56
CC(=O)N(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004592362	0	33	-1.0	-40.46	281.89	1.82	-38.64
CC(=O)N(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004592362	1	33	-1.0	-40.47	281.94	1.84	-38.63
CCNC1=NC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004592363	0	30	-1.0	-35.58	279.29	0.80	-34.78
CCNC1=NC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004592363	1	30	-1.0	-35.56	279.23	0.79	-34.77
O=C(NCC1=N[N-]N=N1)C1=C(Br)C=NN1	REAL250004592364	0	20	-1.0	-34.16	212.51	-1.66	-35.82
O=C(NCC1=NN=N[N-]1)C1=C(Br)C=NN1	REAL250004592364	1	20	-1.0	-34.16	212.57	-1.65	-35.81
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=NSN=C21	REAL250004592365	0	24	-1.0	-42.46	235.84	-0.29	-42.75
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=NSN=C21	REAL250004592365	1	24	-1.0	-42.49	235.78	-0.30	-42.79
O=C(NCC1=NN=N[N-]1)C1=COC2=CC(O)=CC=C12	REAL250004592366	0	27	-1.0	-39.10	251.31	-1.27	-40.37
O=C(NCC1=N[N-]N=N1)C1=COC2=CC(O)=CC=C12	REAL250004592366	1	27	-1.0	-39.08	251.26	-1.28	-40.36
COC1=CNC(C(=O)NCC2=N[N-]N=N2)=CC1=O	REAL250004592367	0	27	-1.0	-45.59	245.54	-0.98	-46.57
COC1=CNC(C(=O)NCC2=NN=N[N-]2)=CC1=O	REAL250004592367	1	27	-1.0	-45.60	245.60	-0.97	-46.57
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CN=C1Cl	REAL250004592368	0	22	-1.0	-39.86	232.48	-0.27	-40.13
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CN=C1Cl	REAL250004592368	1	22	-1.0	-39.86	232.42	-0.28	-40.14
CC1=C(C(=O)NCC2=N[N-]N=N2)C(=S)NC(=O)N1	REAL250004592369	0	26	-1.0	-47.26	256.56	-2.04	-49.30
CC1=C(C(=O)NCC2=NN=N[N-]2)C(=S)NC(=O)N1	REAL250004592369	1	26	-1.0	-47.31	256.62	-2.03	-49.34
O=C(NCC1=NN=N[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004592370	0	31	-1.0	-44.74	281.55	1.31	-43.43
O=C(NCC1=N[N-]N=N1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004592370	1	31	-1.0	-44.71	281.49	1.29	-43.42
O=C(NCC1=NN=N[N-]1)C1=NC=CC=C1NCC1CCC1	REAL250004592371	0	37	-1.0	-40.80	308.42	1.61	-39.19
O=C(NCC1=N[N-]N=N1)C1=NC=CC=C1NCC1CCC1	REAL250004592371	1	37	-1.0	-40.79	308.36	1.59	-39.20
CC1CNC2=C(C(=O)NCC3=NN=N[N-]3)C=NN2C1	REAL250004592372	0	32	-1.0	-40.32	272.88	-0.59	-40.91
CC1CNC2=C(C(=O)NCC3=N[N-]N=N3)C=NN2C1	REAL250004592372	1	32	-1.0	-40.37	272.82	-0.60	-40.97
COCCNC1=NC(CC(=O)NCC2=N[N-]N=N2)=CS1	REAL250004592373	0	34	-1.0	-43.57	311.63	-1.11	-44.68
COCCNC1=NC(CC(=O)NCC2=NN=N[N-]2)=CS1	REAL250004592373	1	34	-1.0	-43.55	311.68	-1.09	-44.64
CC1=CC=C(Cl)C=C1OCC(=O)NCC1=N[N-]N=N1	REAL250004592374	0	30	-1.0	-37.68	281.91	3.05	-34.63
CC1=CC=C(Cl)C=C1OCC(=O)NCC1=NN=N[N-]1	REAL250004592374	1	30	-1.0	-37.68	281.96	3.06	-34.62
CC1=CC(C(F)(F)F)=NC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592375	0	27	-1.0	-40.20	266.72	0.39	-39.81
CC1=CC(C(F)(F)F)=NC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592375	1	27	-1.0	-40.19	266.78	0.41	-39.78
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)C=CS1	REAL250004592376	0	23	-1.0	-42.00	231.47	1.18	-40.82
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)C=CS1	REAL250004592376	1	23	-1.0	-41.99	231.53	1.19	-40.80
CCOC(=O)C(C(=O)NCC1=N[N-]N=N1)C(C)C	REAL250004592377	0	34	-1.0	-39.95	282.48	2.77	-37.18
CCOC(=O)C(C(=O)NCC1=NN=N[N-]1)C(C)C	REAL250004592377	1	34	-1.0	-39.92	282.52	2.78	-37.14
CC1(C)CCC(CC(=O)NCC2=N[N-]N=N2)OC1	REAL250004592378	0	36	-1.0	-38.01	287.08	1.95	-36.06
CC1(C)CCC(CC(=O)NCC2=NN=N[N-]2)OC1	REAL250004592378	1	36	-1.0	-38.03	287.13	1.96	-36.07
O=C(CN1CCCCS1(=O)=O)NCC1=N[N-]N=N1	REAL250004592379	0	31	-1.0	-48.91	273.72	-2.38	-51.29
O=C(CN1CCCCS1(=O)=O)NCC1=NN=N[N-]1	REAL250004592379	1	31	-1.0	-48.92	273.78	-2.36	-51.28
CC1=CC2=CC=CC=C2N=C1C(=O)NCC1=NN=N[N-]1	REAL250004592380	0	31	-1.0	-41.98	271.02	2.37	-39.61
CC1=CC2=CC=CC=C2N=C1C(=O)NCC1=N[N-]N=N1	REAL250004592380	1	31	-1.0	-42.00	270.96	2.35	-39.65
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CNN=C2C=C1	REAL250004592381	0	29	-1.0	-39.13	261.81	0.35	-38.78
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CNN=C2C=C1	REAL250004592381	1	29	-1.0	-39.14	261.75	0.34	-38.80
O=C(NCC1=N[N-]N=N1)C1CCOC2=C(F)C=CC=C21	REAL250004592382	0	31	-1.0	-37.28	270.69	1.89	-35.39
O=C(NCC1=NN=N[N-]1)C1CCOC2=C(F)C=CC=C21	REAL250004592382	1	31	-1.0	-37.29	270.74	1.91	-35.38
CS(=O)(=O)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592383	0	35	-1.0	-49.53	290.03	-1.33	-50.86
CS(=O)(=O)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592383	1	35	-1.0	-49.49	290.08	-1.31	-50.80
O=C(CN1N=CC2=CC=CN=C21)NCC1=NN=N[N-]1	REAL250004592384	0	28	-1.0	-45.48	259.83	0.72	-44.76
O=C(CN1N=CC2=CC=CN=C21)NCC1=N[N-]N=N1	REAL250004592384	1	28	-1.0	-45.49	259.77	0.70	-44.79
CC(C)N1C(=O)CC[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592385	0	33	-1.0	-39.55	274.15	0.93	-38.62
CC(C)N1C(=O)CC[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592385	1	33	-1.0	-39.58	274.21	0.94	-38.64
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCC1=N[N-]N=N1	REAL250004592386	0	33	-1.0	-42.42	302.84	2.15	-40.27
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCC1=NN=N[N-]1	REAL250004592386	1	33	-1.0	-42.42	302.90	2.16	-40.26
CCC(CC1=CC=CC(C)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004592387	0	38	-1.0	-36.87	309.52	4.61	-32.26
CCC(CC1=CC=CC(C)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004592387	1	38	-1.0	-36.89	309.57	4.63	-32.26
CC(C)(C)OC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592388	0	36	-1.0	-38.81	291.93	2.37	-36.44
CC(C)(C)OC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592388	1	36	-1.0	-38.83	291.99	2.39	-36.44
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592389	0	31	-1.0	-38.00	279.58	2.80	-35.20
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592389	1	31	-1.0	-38.00	279.64	2.81	-35.19
CO[C@]12CCC[C@@]1(C(=O)NCC1=N[N-]N=N1)CCO2	REAL250004592390	0	35	-1.0	-38.63	277.69	1.24	-37.39
CO[C@]12CCC[C@@]1(C(=O)NCC1=NN=N[N-]1)CCO2	REAL250004592390	1	35	-1.0	-38.63	277.75	1.26	-37.37
O=C(NCC1=N[N-]N=N1)C1(C2CCCCO2)CCOCC1	REAL250004592391	0	41	-1.0	-34.70	309.49	0.42	-34.28
O=C(NCC1=NN=N[N-]1)C1(C2CCCCO2)CCOCC1	REAL250004592391	1	41	-1.0	-34.71	309.55	0.43	-34.28
CC1=CC=C2OCC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL250004592392	0	32	-1.0	-37.87	278.83	2.43	-35.44
CC1=CC=C2OCC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL250004592392	1	32	-1.0	-37.87	278.89	2.44	-35.43
O=C(NCC1=N[N-]N=N1)C1CNC(=O)CC1C(F)(F)F	REAL250004592393	0	30	-1.0	-38.78	268.31	-1.57	-40.35
O=C(NCC1=NN=N[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL250004592393	1	30	-1.0	-38.78	268.37	-1.56	-40.34
COC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1OC	REAL250004592394	0	35	-1.0	-39.74	304.72	1.66	-38.08
COC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1OC	REAL250004592394	1	35	-1.0	-39.74	304.78	1.67	-38.07
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)O1	REAL250004592395	0	36	-1.0	-41.88	309.96	1.84	-40.04
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)O1	REAL250004592395	1	36	-1.0	-41.84	310.02	1.85	-39.99
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCC2=N[N-]N=N2)C1	REAL250004592396	0	36	-1.0	-40.67	308.58	0.72	-39.95
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCC2=NN=N[N-]2)C1	REAL250004592396	1	36	-1.0	-40.71	308.63	0.73	-39.98
COC1=CC=C(OC)C(C=CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592397	0	35	-1.0	-41.25	303.90	1.09	-40.16
COC1=CC=C(OC)C(C=CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592397	1	35	-1.0	-41.24	303.95	1.10	-40.14
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592398	0	38	-1.0	-39.29	312.60	2.88	-36.41
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592398	1	38	-1.0	-39.31	312.66	2.90	-36.41
O=C(CC1=CC=C(Cl)C=N1)NCC1=N[N-]N=N1	REAL250004592399	0	25	-1.0	-39.97	246.40	0.79	-39.18
O=C(CC1=CC=C(Cl)C=N1)NCC1=NN=N[N-]1	REAL250004592399	1	25	-1.0	-39.98	246.46	0.80	-39.18
O=C(CC1=CC=CC2=NC=CC=C12)NCC1=N[N-]N=N1	REAL250004592400	0	31	-1.0	-40.16	273.94	2.16	-38.00
O=C(CC1=CC=CC2=NC=CC=C12)NCC1=NN=N[N-]1	REAL250004592400	1	31	-1.0	-40.16	274.00	2.17	-37.99
O=C(CC1=CC2=NC=CC=C2C=C1)NCC1=N[N-]N=N1	REAL250004592401	0	31	-1.0	-42.55	277.30	2.29	-40.26
O=C(CC1=CC2=NC=CC=C2C=C1)NCC1=NN=N[N-]1	REAL250004592401	1	31	-1.0	-42.54	277.35	2.30	-40.24
O=C(CC1=CSC(C2CCCC2)=N1)NCC1=N[N-]N=N1	REAL250004592402	0	35	-1.0	-39.10	306.66	2.15	-36.95
O=C(CC1=CSC(C2CCCC2)=N1)NCC1=NN=N[N-]1	REAL250004592402	1	35	-1.0	-39.09	306.72	2.17	-36.92
CC1(C)CCC2=C(C1)C(C(=O)NCC1=N[N-]N=N1)=NO2	REAL250004592403	0	35	-1.0	-39.70	287.83	2.18	-37.52
CC1(C)CCC2=C(C1)C(C(=O)NCC1=NN=N[N-]1)=NO2	REAL250004592403	1	35	-1.0	-39.70	287.89	2.19	-37.51
O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL250004592404	1	26	-1.0	-32.67	258.67	2.16	-30.51
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL250004592404	1	26	-1.0	-32.68	258.61	2.15	-30.53
O=C(CC1=CSC(C2CC2)=N1)NCC1=N[N-]N=N1	REAL250004592405	0	29	-1.0	-39.64	272.68	1.10	-38.54
O=C(CC1=CSC(C2CC2)=N1)NCC1=NN=N[N-]1	REAL250004592405	1	29	-1.0	-39.64	272.73	1.12	-38.52
CC1=C(C(=O)NCC2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL250004592406	0	37	-1.0	-41.82	317.38	5.18	-36.64
CC1=C(C(=O)NCC2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL250004592406	1	37	-1.0	-41.78	317.44	5.19	-36.59
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004592407	0	26	-1.0	-39.69	259.04	1.03	-38.66
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004592407	1	26	-1.0	-39.72	259.09	1.05	-38.67
CC(C)(C)C1=NC(C(=O)NCC2=NN=N[N-]2)=CO1	REAL250004592408	0	31	-1.0	-39.04	274.39	-1.50	-40.54
CC(C)(C)C1=NC(C(=O)NCC2=N[N-]N=N2)=CO1	REAL250004592408	1	31	-1.0	-39.01	274.33	-1.51	-40.52
O=C(CCC1CCC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004592409	0	36	-1.0	-37.00	298.20	4.40	-32.60
O=C(CCC1CCC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004592409	1	36	-1.0	-37.02	298.26	4.41	-32.61
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL250004592410	0	25	-1.0	-37.69	247.88	0.53	-37.16
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=N1	REAL250004592410	1	25	-1.0	-37.67	247.82	0.51	-37.16
CC1(C)COC(CCC(=O)NCC2=N[N-]N=N2)C1	REAL250004592411	0	36	-1.0	-36.79	294.81	1.19	-35.60
CC1(C)COC(CCC(=O)NCC2=NN=N[N-]2)C1	REAL250004592411	1	36	-1.0	-36.78	294.86	1.21	-35.57
CC1=NN(C2CCOCC2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592412	0	37	-1.0	-37.92	307.28	0.45	-37.47
CC1=NN(C2CCOCC2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592412	1	37	-1.0	-37.94	307.33	0.46	-37.48
CC(C)(CC(=O)NCC1=N[N-]N=N1)CC(F)(F)F	REAL250004592413	0	31	-1.0	-36.67	257.70	1.61	-35.06
CC(C)(CC(=O)NCC1=NN=N[N-]1)CC(F)(F)F	REAL250004592413	1	31	-1.0	-36.67	257.76	1.62	-35.05
COC1=CC=C2CC(C(=O)NCC3=N[N-]N=N3)CCC2=C1	REAL250004592414	0	37	-1.0	-36.81	305.24	2.89	-33.92
COC1=CC=C2CC(C(=O)NCC3=NN=N[N-]3)CCC2=C1	REAL250004592414	1	37	-1.0	-36.81	305.30	2.91	-33.90
O=C(NCC1=NN=N[N-]1)C1=NC=C2C=CSC2=C1	REAL250004592415	0	25	-1.0	-40.07	245.77	0.94	-39.13
O=C(NCC1=N[N-]N=N1)C1=NC=C2C=CSC2=C1	REAL250004592415	1	25	-1.0	-40.09	245.71	0.92	-39.17
O=C(CCN1CC2=CC=CC=C2C1=O)NCC1=N[N-]N=N1	REAL250004592416	0	34	-1.0	-44.77	301.02	2.11	-42.66
O=C(CCN1CC2=CC=CC=C2C1=O)NCC1=NN=N[N-]1	REAL250004592416	1	34	-1.0	-44.80	301.08	2.12	-42.68
CC(C(=O)NCC1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004592417	0	33	-1.0	-40.26	286.63	1.91	-38.35
CC(C(=O)NCC1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004592417	1	33	-1.0	-40.27	286.68	1.92	-38.35
CC1=NN2C=C(C(=O)NCC3=NN=N[N-]3)N=C2S1	REAL250004592418	0	25	-1.0	-44.02	249.87	-0.09	-44.11
CC(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592419	0	32	-1.0	-50.56	274.37	0.45	-50.11
CC(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592419	1	32	-1.0	-50.57	274.43	0.47	-50.10
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004592420	0	28	-1.0	-38.81	258.98	1.01	-37.80
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004592420	1	28	-1.0	-38.77	259.04	1.03	-37.74
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1C1=NC=CN1	REAL250004592421	0	30	-1.0	-48.72	268.08	2.26	-46.46
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1C1=NC=CN1	REAL250004592421	1	30	-1.0	-48.75	268.14	2.27	-46.48
CN1N=CC2=CC(CC(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004592422	0	32	-1.0	-40.76	285.60	1.92	-38.84
CN1N=CC2=CC(CC(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004592422	1	32	-1.0	-40.76	285.54	1.91	-38.85
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C2=CN=CC=C12	REAL250004592423	0	32	-1.0	-39.22	276.52	1.07	-38.15
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C2=CN=CC=C12	REAL250004592423	1	32	-1.0	-39.25	276.46	1.06	-38.19
O=C(NCC1=N[N-]N=N1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004592424	0	33	-1.0	-37.10	279.01	0.76	-36.34
O=C(NCC1=NN=N[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004592424	1	33	-1.0	-37.11	279.07	0.78	-36.33
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(C(C)(C)C)O1	REAL250004592425	0	35	-1.0	-36.54	297.55	2.79	-33.75
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL250004592425	1	35	-1.0	-36.52	297.60	2.81	-33.71
O=C(NCC1=NN=N[N-]1)C1=CN=C(F)C(Cl)=C1	REAL250004592426	0	22	-1.0	-32.90	229.22	-0.08	-32.98
O=C(NCC1=N[N-]N=N1)C1=CN=C(F)C(Cl)=C1	REAL250004592426	1	22	-1.0	-32.90	229.17	-0.10	-33.00
CCC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004592427	0	28	-1.0	-34.54	265.90	1.33	-33.21
CCC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004592427	1	28	-1.0	-34.57	265.95	1.34	-33.23
CC1=CC(C#N)=CC(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592428	0	30	-1.0	-36.37	275.05	2.53	-33.84
CC1=CC(C#N)=CC(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592428	1	30	-1.0	-36.41	275.10	2.54	-33.87
CCC1=C(C)C=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592429	0	32	-1.0	-50.64	273.15	0.27	-50.37
CCC1=C(C)C=C(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592429	1	32	-1.0	-50.63	273.20	0.29	-50.34
COC1=CC=CN2N=CC(C(=O)NCC3=NN=N[N-]3)=C12	REAL250004592430	0	30	-1.0	-46.01	265.21	1.64	-44.37
COC1=CC=CN2N=CC(C(=O)NCC3=N[N-]N=N3)=C12	REAL250004592430	1	30	-1.0	-46.00	265.15	1.62	-44.38
CC1=CN2N=NC(C(=O)NCC3=N[N-]N=N3)=C2C(=O)N1	REAL250004592431	0	28	-1.0	-50.58	259.07	-1.46	-52.04
CC1=CN2N=NC(C(=O)NCC3=NN=N[N-]3)=C2C(=O)N1	REAL250004592431	1	28	-1.0	-50.54	259.13	-1.45	-51.99
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)F)=NC=N1	REAL250004592432	0	24	-1.0	-36.54	238.52	0.18	-36.36
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)F)=NC=N1	REAL250004592432	1	24	-1.0	-36.50	238.58	0.20	-36.30
O=C(NCC1=N[N-]N=N1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004592433	0	34	-1.0	-37.58	298.30	4.00	-33.58
O=C(NCC1=NN=N[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004592433	1	34	-1.0	-37.53	298.36	4.01	-33.52
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=CN1	REAL250004592434	0	24	-1.0	-42.74	246.69	-3.84	-46.58
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=CN1	REAL250004592434	1	24	-1.0	-42.78	246.74	-3.82	-46.60
CCOC(=O)N(C)CCCC(=O)NCC1=N[N-]N=N1	REAL250004592435	0	36	-1.0	-43.11	310.81	0.98	-42.13
CCOC(=O)N(C)CCCC(=O)NCC1=NN=N[N-]1	REAL250004592435	1	36	-1.0	-43.09	310.86	1.00	-42.09
O=C(CC1CCC2(CCC2)CO1)NCC1=N[N-]N=N1	REAL250004592436	0	37	-1.0	-38.18	296.09	2.60	-35.58
O=C(CC1CCC2(CCC2)CO1)NCC1=NN=N[N-]1	REAL250004592436	1	37	-1.0	-38.15	296.14	2.61	-35.54
O=C(CC1CCC2(CCOCC2)CO1)NCC1=N[N-]N=N1	REAL250004592437	0	41	-1.0	-38.64	313.30	1.22	-37.42
O=C(CC1CCC2(CCOCC2)CO1)NCC1=NN=N[N-]1	REAL250004592437	1	41	-1.0	-38.62	313.35	1.23	-37.39
O=C(NCC1=N[N-]N=N1)C1CC2CCC(C1)S2	REAL250004592438	0	31	-1.0	-36.02	252.72	2.08	-33.94
O=C(NCC1=NN=N[N-]1)C1CC2CCC(C1)S2	REAL250004592438	1	31	-1.0	-36.02	252.77	2.09	-33.93
O=C(NCC1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL250004592439	0	23	-1.0	-43.13	230.76	1.11	-42.02
O=C(NCC1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL250004592439	1	23	-1.0	-43.15	230.81	1.13	-42.02
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004592440	0	30	-1.0	-36.09	274.15	3.33	-32.76
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004592440	1	30	-1.0	-36.12	274.20	3.35	-32.77
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1C(=O)N=CN2	REAL250004592441	0	28	-1.0	-64.46	255.85	0.89	-63.57
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1C(=O)N=CN2	REAL250004592441	1	28	-1.0	-64.45	255.79	0.87	-63.58
O=C(NCC1=NN=N[N-]1)C1=CNC2=CC(=O)C=CC2=C1	REAL250004592443	0	29	-1.0	-46.22	262.76	1.07	-45.15
O=C(NCC1=N[N-]N=N1)C1=CNC2=CC(=O)C=CC2=C1	REAL250004592443	1	29	-1.0	-46.22	262.70	1.06	-45.16
CC1(C)OC[C@H](C=CC(=O)NCC2=N[N-]N=N2)O1	REAL250004592444	0	32	-1.0	-37.15	279.72	-0.08	-37.23
CC1(C)OC[C@H](C=CC(=O)NCC2=NN=N[N-]2)O1	REAL250004592444	1	32	-1.0	-37.15	279.77	-0.07	-37.22
CS(=O)(=O)CC1(C(=O)NCC2=N[N-]N=N2)COC1	REAL250004592445	0	30	-1.0	-49.40	266.05	-3.03	-52.43
CS(=O)(=O)CC1(C(=O)NCC2=NN=N[N-]2)COC1	REAL250004592445	1	30	-1.0	-49.39	266.11	-3.01	-52.40
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL250004592446	0	34	-1.0	-44.21	295.37	2.81	-41.40
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL250004592446	1	34	-1.0	-44.24	295.43	2.83	-41.41
O=C(CCCCC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592447	0	35	-1.0	-36.73	300.57	4.29	-32.44
O=C(CCCCC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592447	1	35	-1.0	-36.74	300.63	4.31	-32.43
O=C(CC1=CN=C2NC=CC(Cl)=C12)NCC1=N[N-]N=N1	REAL250004592448	0	29	-1.0	-50.91	275.24	1.60	-49.31
O=C(CC1=CN=C2NC=CC(Cl)=C12)NCC1=NN=N[N-]1	REAL250004592448	1	29	-1.0	-50.94	275.29	1.61	-49.33
COC(=O)C1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004592449	0	25	-1.0	-44.65	256.15	-0.96	-45.61
COC(=O)C1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004592449	1	25	-1.0	-44.65	256.10	-0.98	-45.63
CCNC1=CC=C(C)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592450	0	34	-1.0	-37.36	284.14	1.92	-35.44
CCNC1=CC=C(C)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592450	1	34	-1.0	-37.39	284.20	1.93	-35.46
CN(C)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004592451	0	31	-1.0	-38.17	272.83	-1.11	-39.28
CN(C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004592451	1	31	-1.0	-38.12	272.89	-1.09	-39.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2CCCC2)O1	REAL250004592453	1	35	-1.0	-37.19	298.10	-0.00	-37.19
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2CCCC2)O1	REAL250004592453	1	35	-1.0	-37.18	298.15	0.01	-37.17
CC(=O)NC1=CN=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592454	0	29	-1.0	-37.25	258.89	-1.25	-38.50
CC(=O)NC1=CN=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592454	1	29	-1.0	-37.20	258.83	-1.26	-38.46
O=C(NCC1=N[N-]N=N1)C1=NC=C(Br)C=C1O	REAL250004592457	1	23	-1.0	-37.84	238.95	-1.33	-39.17
O=C(NCC1=NN=N[N-]1)C1=NC=C(Br)C=C1O	REAL250004592457	1	23	-1.0	-37.83	239.01	-1.31	-39.14
O=C(CC1=NC(C2CCCC2)=CS1)NCC1=N[N-]N=N1	REAL250004592458	0	35	-1.0	-38.73	304.79	2.12	-36.61
O=C(CC1=NC(C2CCCC2)=CS1)NCC1=NN=N[N-]1	REAL250004592458	1	35	-1.0	-38.75	304.85	2.13	-36.62
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592459	0	32	-1.0	-37.43	286.51	0.78	-36.65
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592459	1	32	-1.0	-37.40	286.45	0.76	-36.64
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592460	0	32	-1.0	-36.20	286.83	0.80	-35.40
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592460	1	32	-1.0	-36.22	286.89	0.81	-35.41
CCN1N=C(C2CC2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592461	0	33	-1.0	-35.31	285.39	1.92	-33.39
CCN1N=C(C2CC2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592461	1	33	-1.0	-35.30	285.45	1.94	-33.36
CC1=CN2N=CC(C(=O)NCC3=NN=N[N-]3)=C2N=C1	REAL250004592462	0	28	-1.0	-47.07	257.20	0.81	-46.26
CC1=CN2N=CC(C(=O)NCC3=N[N-]N=N3)=C2N=C1	REAL250004592462	1	28	-1.0	-47.10	257.14	0.80	-46.30
O=C(CC1CCC2(CCC2)O1)NCC1=N[N-]N=N1	REAL250004592463	0	34	-1.0	-40.31	280.35	1.98	-38.33
O=C(CC1CCC2(CCC2)O1)NCC1=NN=N[N-]1	REAL250004592463	1	34	-1.0	-40.34	280.40	2.00	-38.34
O=C(NCC1=N[N-]N=N1)C1CCOC2(CCC2)C1	REAL250004592464	0	34	-1.0	-35.74	274.21	0.98	-34.76
O=C(NCC1=NN=N[N-]1)C1CCOC2(CCC2)C1	REAL250004592464	1	34	-1.0	-35.75	274.26	1.00	-34.75
O=C(CC1=NN=C(C2CCOCC2)N1)NCC1=N[N-]N=N1	REAL250004592465	0	36	-1.0	-46.11	304.50	-0.12	-46.23
O=C(CC1=NN=C(C2CCOCC2)N1)NCC1=NN=N[N-]1	REAL250004592465	1	36	-1.0	-46.08	304.56	-0.11	-46.19
O=C(CC1=NNC(C2CCOCC2)=N1)NCC1=N[N-]N=N1	REAL250004592465	1	36	-1.0	-41.88	305.75	-0.72	-42.60
O=C(NCC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004592466	0	35	-1.0	-42.56	298.86	3.75	-38.81
O=C(NCC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004592466	1	35	-1.0	-42.54	298.80	3.74	-38.80
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004592467	0	31	-1.0	-47.16	276.59	3.09	-44.07
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004592467	1	31	-1.0	-47.16	276.65	3.10	-44.06
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(Br)=N1	REAL250004592468	0	23	-1.0	-39.07	235.50	-0.49	-39.56
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(Br)=N1	REAL250004592468	1	23	-1.0	-39.07	235.44	-0.51	-39.58
O=C(NCC1=N[N-]N=N1)C1CC2(C1)CC(F)(F)C2	REAL250004592469	0	30	-1.0	-36.73	265.00	2.25	-34.48
O=C(NCC1=NN=N[N-]1)C1CC2(C1)CC(F)(F)C2	REAL250004592469	1	30	-1.0	-36.75	265.05	2.27	-34.48
C[C@H](C(=O)NCC1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL250004592470	0	34	-1.0	-49.62	294.13	2.95	-46.67
C[C@H](C(=O)NCC1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL250004592470	1	34	-1.0	-49.60	294.19	2.97	-46.63
O=C(NCC1=N[N-]N=N1)C1=COC2=C1C(=O)NCCC2	REAL250004592471	0	31	-1.0	-48.70	270.08	-0.89	-49.59
O=C(NCC1=NN=N[N-]1)C1=COC2=C1C(=O)NCCC2	REAL250004592471	1	31	-1.0	-48.75	270.14	-0.88	-49.63
CC1=NC(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2N1	REAL250004592472	0	31	-1.0	-46.46	278.87	-0.51	-46.97
CC1=NC(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2N1	REAL250004592472	1	31	-1.0	-46.46	278.93	-0.50	-46.96
O=C(NCC1=NN=N[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004592473	0	25	-1.0	-34.81	261.75	1.36	-33.45
O=C(NCC1=N[N-]N=N1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004592473	1	25	-1.0	-34.85	261.69	1.35	-33.50
N#CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL250004592474	0	28	-1.0	-38.91	264.77	1.61	-37.30
N#CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL250004592474	1	28	-1.0	-38.95	264.71	1.60	-37.35
NC1=C(Cl)C=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004592475	0	27	-1.0	-35.09	264.73	0.55	-34.54
NC1=C(Cl)C=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004592475	1	27	-1.0	-35.03	264.79	0.57	-34.46
CNC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004592476	0	28	-1.0	-39.00	258.89	0.57	-38.43
CNC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004592476	1	28	-1.0	-39.02	258.95	0.58	-38.44
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=N[N-]N=N1	REAL250004592477	0	29	-1.0	-39.98	276.80	2.41	-37.57
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=NN=N[N-]1	REAL250004592477	1	29	-1.0	-40.01	276.86	2.43	-37.58
CCSC1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004592478	0	33	-1.0	-39.08	295.12	3.67	-35.41
CCSC1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004592478	1	33	-1.0	-39.03	295.18	3.69	-35.34
CC1=NC(C)=C(CC(=O)NCC2=N[N-]N=N2)S1	REAL250004592479	0	28	-1.0	-38.58	262.44	0.42	-38.16
CC1=NC(C)=C(CC(=O)NCC2=NN=N[N-]2)S1	REAL250004592479	1	28	-1.0	-38.53	262.49	0.44	-38.09
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592480	0	40	-1.0	-43.58	328.96	0.11	-43.47
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592480	1	40	-1.0	-43.59	329.01	0.13	-43.46
COC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592481	0	32	-1.0	-37.80	284.69	-0.56	-38.36
COC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592481	1	32	-1.0	-37.80	284.63	-0.58	-38.38
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=N[N-]N=N1	REAL250004592482	0	32	-1.0	-46.60	286.55	3.83	-42.77
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=NN=N[N-]1	REAL250004592482	1	32	-1.0	-46.61	286.60	3.84	-42.77
CCN1C=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592483	0	27	-1.0	-36.83	254.93	2.07	-34.76
CCN1C=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592483	1	27	-1.0	-36.84	254.99	2.09	-34.75
CC1C2=CNN=C2CCC1C(=O)NCC1=N[N-]N=N1	REAL250004592484	0	33	-1.0	-41.14	267.29	0.17	-40.97
CC1C2=CNN=C2CCC1C(=O)NCC1=NN=N[N-]1	REAL250004592484	1	33	-1.0	-41.14	267.34	0.18	-40.96
COC1(C(=O)NCC2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004592485	0	30	-1.0	-41.60	263.24	-3.97	-45.57
COC1(C(=O)NCC2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004592485	1	30	-1.0	-41.60	263.29	-3.95	-45.55
O=C(NCC1=N[N-]N=N1)C1=CC=CN=C1C(F)F	REAL250004592486	0	25	-1.0	-40.62	232.24	0.40	-40.22
O=C(NCC1=NN=N[N-]1)C1=CC=CN=C1C(F)F	REAL250004592486	1	25	-1.0	-40.63	232.30	0.41	-40.22
CC(C)(C)OC(=O)NOCC(=O)NCC1=N[N-]N=N1	REAL250004592487	0	34	-1.0	-43.94	295.11	-0.59	-44.53
CC(C)(C)OC(=O)NOCC(=O)NCC1=NN=N[N-]1	REAL250004592487	1	34	-1.0	-43.88	295.16	-0.57	-44.45
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592488	0	32	-1.0	-44.13	275.26	1.77	-42.36
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592488	1	32	-1.0	-44.12	275.32	1.79	-42.33
CC12CC3CC(C1)CC(C(=O)NCC1=N[N-]N=N1)(C3)C2	REAL250004592489	0	40	-1.0	-36.01	296.55	3.67	-32.34
CC12CC3CC(C1)CC(C(=O)NCC1=NN=N[N-]1)(C3)C2	REAL250004592489	1	40	-1.0	-36.01	296.60	3.69	-32.32
COC1=CC=CC(C(F)F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592490	0	30	-1.0	-44.03	272.23	1.56	-42.47
COC1=CC=CC(C(F)F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592490	1	30	-1.0	-44.05	272.28	1.58	-42.47
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592491	0	40	-1.0	-44.68	325.45	1.59	-43.09
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592491	1	40	-1.0	-44.63	325.50	1.61	-43.02
CCN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004592492	0	36	-1.0	-40.54	311.85	3.44	-37.10
CCN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004592492	1	36	-1.0	-40.51	311.79	3.43	-37.08
N#CC1(C(=O)NCC2=N[N-]N=N2)CC2CCC1CC2	REAL250004592493	0	34	-1.0	-36.12	271.05	2.31	-33.81
N#CC1(C(=O)NCC2=NN=N[N-]2)CC2CCC1CC2	REAL250004592493	1	34	-1.0	-36.13	271.10	2.32	-33.81
COC1=CC=CC2=C(C(=O)NCC3=NN=N[N-]3)C=NN21	REAL250004592494	0	30	-1.0	-45.68	268.42	-0.24	-45.92
COC1=CC=CC2=C(C(=O)NCC3=N[N-]N=N3)C=NN21	REAL250004592494	1	30	-1.0	-45.65	268.36	-0.25	-45.90
COC(=O)C1=CC(C)=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004592495	0	29	-1.0	-36.59	270.60	0.76	-35.83
COC(=O)C1=CC(C)=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004592495	1	29	-1.0	-36.57	270.66	0.78	-35.79
CC1=CC=C(C2=NOC(C(=O)NCC3=N[N-]N=N3)C2)C=C1	REAL250004592496	0	34	-1.0	-40.52	301.05	3.26	-37.26
CC1=CC=C(C2=NOC(C(=O)NCC3=NN=N[N-]3)C2)C=C1	REAL250004592496	1	34	-1.0	-40.56	301.10	3.28	-37.28
CC1CCC2=C(C1)C(C(=O)NCC1=N[N-]N=N1)=NN2	REAL250004592497	0	33	-1.0	-41.45	276.51	0.68	-40.77
CC1CCC2=C(C1)C(C(=O)NCC1=NN=N[N-]1)=NN2	REAL250004592497	1	33	-1.0	-41.48	276.57	0.69	-40.79
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592498	0	37	-1.0	-38.44	290.48	3.18	-35.26
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592498	1	37	-1.0	-38.46	290.54	3.20	-35.26
CCC1=NC(C)=C(CC(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004592499	0	36	-1.0	-39.53	304.14	1.51	-38.02
CCC1=NC(C)=C(CC(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004592499	1	36	-1.0	-39.52	304.20	1.52	-38.00
O=C(NCC1=NN=N[N-]1)C1=NSC2=CC=CC=C21	REAL250004592500	0	25	-1.0	-40.29	242.32	1.26	-39.03
O=C(NCC1=N[N-]N=N1)C1=NSC2=CC=CC=C21	REAL250004592500	1	25	-1.0	-40.30	242.27	1.25	-39.05
CC(C)(C)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592501	0	39	-1.0	-44.40	301.90	1.69	-42.71
CC(C)(C)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592501	1	39	-1.0	-44.39	301.96	1.70	-42.69
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592502	0	33	-1.0	-37.58	284.51	4.06	-33.52
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592502	1	33	-1.0	-37.59	284.56	4.07	-33.52
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=N[N-]N=N1	REAL250004592503	0	39	-1.0	-37.71	328.30	5.62	-32.09
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=NN=N[N-]1	REAL250004592503	1	39	-1.0	-37.74	328.36	5.63	-32.11
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCOC2)NC1=O	REAL250004592504	0	31	-1.0	-50.09	267.58	-1.55	-51.64
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCOC2)NC1=O	REAL250004592504	1	31	-1.0	-50.09	267.64	-1.54	-51.63
COC1=CC(OC)=NC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592505	0	29	-1.0	-36.32	269.09	-4.24	-40.56
COC1=CC(OC)=NC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592505	1	29	-1.0	-36.32	269.03	-4.26	-40.58
CC1(C(=O)NCC2=N[N-]N=N2)CCCS1(=O)=O	REAL250004592506	0	29	-1.0	-45.27	253.94	-1.18	-46.45
CC1(C(=O)NCC2=NN=N[N-]2)CCCS1(=O)=O	REAL250004592506	1	29	-1.0	-45.25	254.00	-1.16	-46.41
O=C(NCC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004592507	0	32	-1.0	-39.40	293.60	3.13	-36.27
O=C(NCC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004592507	1	32	-1.0	-39.42	293.66	3.15	-36.27
COC1=CC2=NC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004592508	0	32	-1.0	-40.48	282.35	0.95	-39.53
COC1=CC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004592508	1	32	-1.0	-40.47	282.30	0.93	-39.54
O=C(NCC1=N[N-]N=N1)C1=NN2CCCC(=O)C2=C1	REAL250004592509	0	29	-1.0	-43.99	261.98	-0.29	-44.28
O=C(NCC1=NN=N[N-]1)C1=NN2CCCC(=O)C2=C1	REAL250004592509	1	29	-1.0	-43.98	262.04	-0.27	-44.25
CC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004592510	0	31	-1.0	-38.04	269.03	2.36	-35.68
CC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004592510	1	31	-1.0	-38.05	269.08	2.38	-35.67
O=C(NCC1=NN=N[N-]1)C1CC(C2=CC=CC=N2)=NO1	REAL250004592511	0	30	-1.0	-41.55	275.87	0.86	-40.69
O=C(NCC1=N[N-]N=N1)C1CC(C2=CC=CC=N2)=NO1	REAL250004592511	1	30	-1.0	-41.54	275.81	0.84	-40.70
CCN1N=C(C(=O)NCC2=N[N-]N=N2)C=C1C1CC1	REAL250004592512	0	33	-1.0	-41.89	289.25	1.87	-40.02
CCN1N=C(C(=O)NCC2=NN=N[N-]2)C=C1C1CC1	REAL250004592512	1	33	-1.0	-41.90	289.31	1.89	-40.01
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592513	0	35	-1.0	-42.41	281.16	2.58	-39.83
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592513	1	35	-1.0	-42.40	281.22	2.59	-39.81
COC1=CC=CC(C(F)(F)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592514	0	30	-1.0	-37.38	275.35	1.33	-36.05
COC1=CC=CC(C(F)(F)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592514	1	30	-1.0	-37.39	275.30	1.31	-36.08
CC1=CC(C#N)=CC(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004592515	0	33	-1.0	-37.56	291.03	3.32	-34.24
CC1=CC(C#N)=CC(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004592515	1	33	-1.0	-37.59	291.09	3.34	-34.25
NS(=O)(=O)C1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004592516	0	25	-1.0	-47.81	250.40	-3.55	-51.36
NS(=O)(=O)C1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004592516	1	25	-1.0	-47.82	250.46	-3.53	-51.35
CC1=NNC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C12	REAL250004592517	0	29	-1.0	-40.98	258.01	0.65	-40.33
CC1=NNC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C12	REAL250004592517	1	29	-1.0	-41.02	257.95	0.63	-40.39
O=C(NCC1=N[N-]N=N1)C1CC2=CC(F)=CC=C2NC1=O	REAL250004592518	0	31	-1.0	-39.32	278.24	0.27	-39.05
O=C(NCC1=NN=N[N-]1)C1CC2=CC(F)=CC=C2NC1=O	REAL250004592518	1	31	-1.0	-39.25	278.29	0.29	-38.96
O=C(NCC1=N[N-]N=N1)C1CCOC2(CCCC2)C1	REAL250004592519	0	37	-1.0	-35.63	287.23	1.48	-34.15
O=C(NCC1=NN=N[N-]1)C1CCOC2(CCCC2)C1	REAL250004592519	1	37	-1.0	-35.62	287.29	1.49	-34.13
CN(CC(=O)NCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004592520	1	35	-1.0	-37.31	280.80	-3.12	-40.43
O=C(CN1N=NC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004592521	0	28	-1.0	-43.81	259.57	0.01	-43.80
O=C(CN1N=NC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004592521	1	28	-1.0	-43.79	259.52	-0.00	-43.79
CC1=CC=CC(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)=C1	REAL250004592522	0	36	-1.0	-38.83	307.14	5.32	-33.51
CC1=CC=CC(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)=C1	REAL250004592522	1	36	-1.0	-38.81	307.20	5.34	-33.47
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004592523	0	30	-1.0	-35.04	270.61	2.63	-32.41
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004592523	1	30	-1.0	-35.04	270.66	2.65	-32.39
CCCCCC(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004592524	0	35	-1.0	-36.83	299.64	-0.24	-37.07
CCCCCC(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004592524	1	35	-1.0	-36.83	299.69	-0.22	-37.05
CCNC1=NC(C)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592525	0	30	-1.0	-37.53	274.77	-0.13	-37.66
CCNC1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592525	1	30	-1.0	-37.54	274.83	-0.12	-37.66
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(NC2CC2)=N1	REAL250004592526	0	31	-1.0	-37.21	284.98	0.80	-36.41
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(NC2CC2)=N1	REAL250004592526	1	31	-1.0	-37.23	285.04	0.81	-36.42
C=CCNC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592527	0	28	-1.0	-37.18	270.57	-0.19	-37.37
C=CCNC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592527	1	28	-1.0	-37.17	270.51	-0.21	-37.38
COC1=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=CC=C1	REAL250004592528	0	31	-1.0	-38.78	274.96	0.48	-38.30
COC1=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=CC=C1	REAL250004592528	1	31	-1.0	-38.78	274.90	0.47	-38.31
CC1=CC=CC=C1C1=NOC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592529	0	34	-1.0	-40.27	295.03	3.45	-36.82
CC1=CC=CC=C1C1=NOC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592529	1	34	-1.0	-40.27	295.09	3.46	-36.81
CC1=CC(C)=C(CC(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592530	0	32	-1.0	-47.98	278.49	-0.04	-48.02
CC1=CC(C)=C(CC(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592530	1	32	-1.0	-47.99	278.54	-0.03	-48.02
CNC(=O)NC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592531	0	32	-1.0	-49.03	282.79	-1.24	-50.27
CNC(=O)NC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592531	1	32	-1.0	-49.04	282.85	-1.23	-50.27
CC(C)(NC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004592532	0	34	-1.0	-37.55	279.93	1.34	-36.21
CC(C)(NC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004592532	1	34	-1.0	-37.53	279.98	1.36	-36.17
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL250004592533	0	36	-1.0	-39.01	299.25	2.17	-36.84
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL250004592533	1	36	-1.0	-39.02	299.31	2.19	-36.83
CCOC(=O)N1CSCC1C(=O)NCC1=N[N-]N=N1	REAL250004592534	0	32	-1.0	-40.75	289.36	0.92	-39.83
CCOC(=O)N1CSCC1C(=O)NCC1=NN=N[N-]1	REAL250004592534	1	32	-1.0	-40.74	289.42	0.94	-39.80
CC1CCC(C(=O)CCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004592535	0	40	-1.0	-36.73	316.71	3.47	-33.26
CC1CCC(C(=O)CCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004592535	1	40	-1.0	-36.73	316.78	3.48	-33.25
CC(SC1=CC=C(F)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004592536	0	30	-1.0	-35.81	284.88	3.17	-32.64
CC(SC1=CC=C(F)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004592536	1	30	-1.0	-35.81	284.94	3.18	-32.63
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)SC=C1	REAL250004592537	0	23	-1.0	-41.83	230.69	1.23	-40.60
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)SC=C1	REAL250004592537	1	23	-1.0	-41.82	230.74	1.25	-40.57
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592538	0	36	-1.0	-36.59	309.81	4.95	-31.64
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592538	1	36	-1.0	-36.61	309.86	4.96	-31.65
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250004592539	0	29	-1.0	-43.69	273.99	-0.12	-43.81
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)O1	REAL250004592539	1	29	-1.0	-43.72	273.93	-0.14	-43.86
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004592540	0	29	-1.0	-41.01	269.70	1.74	-39.27
O=C(NCC1=N[N-]N=N1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004592540	1	29	-1.0	-41.04	269.64	1.73	-39.31
CC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004592541	0	29	-1.0	-37.21	271.65	3.02	-34.19
CC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004592541	1	29	-1.0	-37.23	271.71	3.04	-34.19
O=C(CN1CCC(CO)CC1)NCC1=N[N-]N=N1	REAL250004592543	0	35	-1.0	-38.71	283.24	-3.35	-42.06
O=C(CN1CCC(CO)CC1)NCC1=NN=N[N-]1	REAL250004592543	1	35	-1.0	-38.69	283.30	-3.33	-42.02
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCC1=N[N-]N=N1	REAL250004592544	0	28	-1.0	-40.71	276.86	2.98	-37.73
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCC1=NN=N[N-]1	REAL250004592544	1	28	-1.0	-40.71	276.91	2.99	-37.72
O=C(NCC1=N[N-]N=N1)C1=CS(=O)(=O)CCC1	REAL250004592545	0	27	-1.0	-45.52	245.55	-2.52	-48.04
O=C(NCC1=NN=N[N-]1)C1=CS(=O)(=O)CCC1	REAL250004592545	1	27	-1.0	-45.49	245.61	-2.50	-47.99
O=C(NCC1=N[N-]N=N1)C1=NN2CCCC(O)C2=C1	REAL250004592547	0	31	-1.0	-42.67	269.36	-2.68	-45.35
O=C(NCC1=NN=N[N-]1)C1=NN2CCCC(O)C2=C1	REAL250004592547	1	31	-1.0	-42.65	269.41	-2.67	-45.32
O=C(NCC1=NN=N[N-]1)C1=C2N=CNC2=CC=C1F	REAL250004592548	0	26	-1.0	-50.60	247.73	0.81	-49.79
O=C(NCC1=N[N-]N=N1)C1=C2N=CNC2=CC=C1F	REAL250004592548	1	26	-1.0	-50.61	247.67	0.79	-49.82
CC1=NN(CCCC(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004592549	0	35	-1.0	-42.43	301.76	1.76	-40.67
CC1=NN(CCCC(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004592549	1	35	-1.0	-42.41	301.82	1.78	-40.63
O=C(NCC1=NN=N[N-]1)C1=NC=CC2=CC=CN=C21	REAL250004592550	0	27	-1.0	-48.48	248.09	0.34	-48.14
O=C(NCC1=N[N-]N=N1)C1=NC=CC2=CC=CN=C21	REAL250004592550	1	27	-1.0	-48.48	248.04	0.33	-48.15
CC1(CC(=O)NCC2=N[N-]N=N2)CCS(=O)(=O)N1	REAL250004592551	0	31	-1.0	-46.68	267.40	-3.95	-50.63
CC1(CC(=O)NCC2=NN=N[N-]2)CCS(=O)(=O)N1	REAL250004592551	1	31	-1.0	-46.72	267.46	-3.93	-50.65
O=C(NCC1=NN=N[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004592552	0	28	-1.0	-34.81	264.51	2.13	-32.68
O=C(NCC1=N[N-]N=N1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004592552	1	28	-1.0	-34.81	264.46	2.12	-32.69
O=C(NCC1=N[N-]N=N1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004592553	0	32	-1.0	-43.64	279.85	-1.53	-45.17
O=C(NCC1=NN=N[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004592553	1	32	-1.0	-43.62	279.91	-1.51	-45.13
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=N[N-]N=N1	REAL250004592554	0	31	-1.0	-44.54	279.84	1.67	-42.87
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=NN=N[N-]1	REAL250004592554	1	31	-1.0	-44.55	279.90	1.68	-42.87
CC1=CC=CN2C=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004592555	0	30	-1.0	-40.70	266.62	3.48	-37.22
CC1=CC=CN2C=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004592555	1	30	-1.0	-40.72	266.57	3.47	-37.25
COC1=CC=CC(CC(C)CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592556	0	39	-1.0	-39.31	321.24	3.20	-36.11
COC1=CC=CC(CC(C)CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592556	1	39	-1.0	-39.32	321.30	3.22	-36.10
CC(C)C1CC(C(=O)NCC2=N[N-]N=N2)CCO1	REAL250004592557	0	36	-1.0	-35.73	287.43	1.19	-34.54
CC(C)C1CC(C(=O)NCC2=NN=N[N-]2)CCO1	REAL250004592557	1	36	-1.0	-35.74	287.49	1.21	-34.53
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1CCOC2	REAL250004592558	0	31	-1.0	-38.21	259.67	1.32	-36.89
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1CCOC2	REAL250004592558	1	31	-1.0	-38.21	259.73	1.34	-36.87
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=N[N-]N=N1	REAL250004592559	0	33	-1.0	-40.08	289.49	2.00	-38.08
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=NN=N[N-]1	REAL250004592559	1	33	-1.0	-40.05	289.55	2.02	-38.03
COC1(C(=O)NCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004592560	0	27	-1.0	-41.47	246.82	-3.81	-45.28
COC1(C(=O)NCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004592560	1	27	-1.0	-41.46	246.88	-3.80	-45.26
O=C(CC1CCC(C2CC2)O1)NCC1=N[N-]N=N1	REAL250004592561	0	34	-1.0	-40.05	285.04	2.26	-37.79
O=C(CC1CCC(C2CC2)O1)NCC1=NN=N[N-]1	REAL250004592561	1	34	-1.0	-40.00	285.10	2.27	-37.73
O=C(NCC1=N[N-]N=N1)C1CS(=O)(=O)CC(=O)N1	REAL250004592562	0	27	-1.0	-43.72	254.76	-6.11	-49.83
O=C(NCC1=NN=N[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250004592562	1	27	-1.0	-43.72	254.82	-6.09	-49.81
O=C(NCC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL250004592563	0	21	-1.0	-37.51	225.81	-0.67	-38.18
O=C(NCC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL250004592563	1	21	-1.0	-37.54	225.76	-0.69	-38.23
COC(=O)C1=CC=CN(CC(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592564	0	32	-1.0	-50.74	293.29	2.05	-48.69
COC(=O)C1=CC=CN(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592564	1	32	-1.0	-50.70	293.35	2.06	-48.64
O=CC1=CNC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004592565	0	29	-1.0	-41.41	266.71	1.06	-40.35
O=CC1=CNC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004592565	1	29	-1.0	-41.40	266.65	1.04	-40.36
COC(=O)C1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592566	0	29	-1.0	-37.29	272.73	1.97	-35.32
COC(=O)C1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592566	1	29	-1.0	-37.24	272.79	1.99	-35.25
O=C(NCC1=N[N-]N=N1)C1CC2(C1)CS(=O)(=O)C2	REAL250004592568	0	30	-1.0	-42.94	270.58	-2.04	-44.98
O=C(NCC1=NN=N[N-]1)C1CC2(C1)CS(=O)(=O)C2	REAL250004592568	1	30	-1.0	-42.93	270.64	-2.03	-44.96
O=C(NCC1=NN=N[N-]1)C1=CN(C(F)(F)CO)N=N1	REAL250004592569	0	26	-1.0	-40.47	256.23	-4.74	-45.21
O=C(NCC1=N[N-]N=N1)C1=CN(C(F)(F)CO)N=N1	REAL250004592569	1	26	-1.0	-40.46	256.18	-4.75	-45.21
COC1=NSC(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592570	0	27	-1.0	-41.15	264.73	-3.55	-44.70
COC1=NSC(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592570	1	27	-1.0	-41.17	264.67	-3.56	-44.73
O=C(NCC1=N[N-]N=N1)C1(CCC2=CC=CC=C2)CC1	REAL250004592571	0	36	-1.0	-37.98	310.73	4.70	-33.28
O=C(NCC1=NN=N[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250004592571	1	36	-1.0	-37.99	310.79	4.71	-33.28
CC1(C(=O)NCC2=N[N-]N=N2)CCOC2=CC=CC=C21	REAL250004592572	0	34	-1.0	-36.23	275.11	2.15	-34.08
CC1(C(=O)NCC2=NN=N[N-]2)CCOC2=CC=CC=C21	REAL250004592572	1	34	-1.0	-36.24	275.17	2.17	-34.07
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCO1	REAL250004592573	0	34	-1.0	-38.31	284.74	2.06	-36.25
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250004592573	1	34	-1.0	-38.27	284.81	2.08	-36.19
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2NC1=O	REAL250004592575	0	32	-1.0	-39.89	283.71	0.83	-39.06
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2NC1=O	REAL250004592575	1	32	-1.0	-39.89	283.65	0.82	-39.07
CC1(O)CCC(CC(=O)NCC2=N[N-]N=N2)CC1	REAL250004592576	0	36	-1.0	-37.29	280.56	-0.76	-38.05
CC1(O)CCC(CC(=O)NCC2=NN=N[N-]2)CC1	REAL250004592576	1	36	-1.0	-37.29	280.62	-0.74	-38.03
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=CN=C1F	REAL250004592577	0	22	-1.0	-40.21	232.43	-0.28	-40.49
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=CN=C1F	REAL250004592577	1	22	-1.0	-40.18	232.38	-0.29	-40.47
CC1=CC(C=O)=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592578	0	29	-1.0	-44.90	262.86	1.21	-43.69
CC1=CC(C=O)=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592578	1	29	-1.0	-44.94	262.92	1.23	-43.71
COC(=O)C1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004592579	0	26	-1.0	-43.69	251.51	1.81	-41.88
COC(=O)C1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004592579	1	26	-1.0	-43.66	251.56	1.83	-41.83
O=C(CC1=CC=CC2=NSN=C21)NCC1=N[N-]N=N1	REAL250004592580	0	27	-1.0	-42.03	260.46	0.24	-41.79
O=C(CC1=CC=CC2=NSN=C21)NCC1=NN=N[N-]1	REAL250004592580	1	27	-1.0	-42.03	260.52	0.26	-41.77
COC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)C(=O)C2	REAL250004592581	0	36	-1.0	-40.50	285.54	0.29	-40.21
COC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)C(=O)C2	REAL250004592581	1	36	-1.0	-40.51	285.59	0.31	-40.20
CC(O)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004592582	0	30	-1.0	-35.43	265.52	-0.48	-35.91
CC(O)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004592582	1	30	-1.0	-35.43	265.59	-0.46	-35.89
CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592583	0	29	-1.0	-40.10	264.66	-3.10	-43.20
CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592583	1	29	-1.0	-40.12	264.72	-3.09	-43.21
COC1=CC=C2NC=CC2=C1C(=O)NCC1=NN=N[N-]1	REAL250004592584	0	31	-1.0	-47.65	275.77	0.45	-47.20
COC1=CC=C2NC=CC2=C1C(=O)NCC1=N[N-]N=N1	REAL250004592584	1	31	-1.0	-47.64	275.72	0.44	-47.20
O=C(CC1C=CS(=O)(=O)C1)NCC1=N[N-]N=N1	REAL250004592585	0	27	-1.0	-43.80	249.87	-2.67	-46.47
O=C(CC1C=CS(=O)(=O)C1)NCC1=NN=N[N-]1	REAL250004592585	1	27	-1.0	-43.79	249.92	-2.65	-46.44
CN(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1C=O	REAL250004592586	0	33	-1.0	-37.38	286.75	1.60	-35.78
CN(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1C=O	REAL250004592586	1	33	-1.0	-37.35	286.81	1.61	-35.74
O=C(NCC1=N[N-]N=N1)C1=CN2C=CNC(=O)C2=N1	REAL250004592588	0	26	-1.0	-54.40	247.39	-1.29	-55.69
O=C(NCC1=NN=N[N-]1)C1=CN2C=CNC(=O)C2=N1	REAL250004592588	1	26	-1.0	-54.42	247.45	-1.27	-55.69
O=C(NCC1=N[N-]N=N1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL250004592590	0	39	-1.0	-37.25	321.02	3.50	-33.75
O=C(NCC1=NN=N[N-]1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL250004592590	1	39	-1.0	-37.25	321.07	3.51	-33.74
CC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004592591	0	30	-1.0	-39.40	281.28	0.77	-38.63
CC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004592591	1	30	-1.0	-39.41	281.34	0.79	-38.62
O=C(CC1CC(=O)NC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004592592	0	34	-1.0	-40.94	289.95	0.91	-40.03
O=C(CC1CC(=O)NC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004592592	1	34	-1.0	-40.87	290.01	0.92	-39.95
COC(=O)NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004592593	0	31	-1.0	-40.55	283.55	-0.43	-40.98
COC(=O)NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004592593	1	31	-1.0	-40.55	283.61	-0.42	-40.97
COC(=O)C1CCCN(CC(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592594	0	36	-1.0	-47.57	308.87	1.48	-46.09
COC(=O)C1CCCN(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592594	1	36	-1.0	-47.56	308.93	1.50	-46.06
CC1=C(Br)OC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592595	0	23	-1.0	-35.47	238.29	0.62	-34.85
CC1=C(Br)OC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592595	1	23	-1.0	-35.45	238.35	0.63	-34.82
COC1=C(C(=O)NCC2=NN=N[N-]2)C=CN=C1F	REAL250004592596	0	26	-1.0	-36.62	242.50	0.01	-36.61
COC1=C(C(=O)NCC2=N[N-]N=N2)C=CN=C1F	REAL250004592596	1	26	-1.0	-36.59	242.45	-0.00	-36.59
COC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004592597	0	34	-1.0	-40.81	294.50	0.16	-40.65
COC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004592597	1	34	-1.0	-40.82	294.56	0.18	-40.64
CC1=CC(Cl)=NC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592598	0	25	-1.0	-39.31	247.15	0.62	-38.69
CC1=CC(Cl)=NC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592598	1	25	-1.0	-39.35	247.20	0.64	-38.71
CNC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592599	0	32	-1.0	-43.64	282.68	-1.25	-44.89
CNC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592599	1	32	-1.0	-43.63	282.73	-1.24	-44.87
CC1=NN(CC(F)F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592600	0	29	-1.0	-39.34	268.04	0.78	-38.56
CC1=NN(CC(F)F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592600	1	29	-1.0	-39.35	268.10	0.80	-38.55
CC(C)CN1C=CC=C(C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004592601	0	35	-1.0	-55.57	291.52	2.54	-53.03
CC(C)CN1C=CC=C(C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004592601	1	35	-1.0	-55.54	291.57	2.56	-52.98
CC1(C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592602	0	33	-1.0	-37.15	275.07	3.84	-33.31
CC1(C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592602	1	33	-1.0	-37.13	275.13	3.85	-33.28
CCC(C)(C)C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592603	0	38	-1.0	-36.62	289.02	3.98	-32.64
CCC(C)(C)C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592603	1	38	-1.0	-36.63	289.07	4.00	-32.63
N#CC1(C(=O)NCC2=N[N-]N=N2)CCSCC1	REAL250004592604	0	28	-1.0	-35.49	250.62	0.98	-34.51
N#CC1(C(=O)NCC2=NN=N[N-]2)CCSCC1	REAL250004592604	1	28	-1.0	-35.48	250.68	0.99	-34.49
CC(C)(C)CC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592605	0	38	-1.0	-36.52	295.14	4.11	-32.41
CC(C)(C)CC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592605	1	38	-1.0	-36.51	295.19	4.13	-32.38
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004592606	0	33	-1.0	-42.06	288.17	1.62	-40.44
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004592606	1	33	-1.0	-42.08	288.23	1.64	-40.44
CC1(C(=O)NCC2=N[N-]N=N2)CCC2(CC1)OCCO2	REAL250004592607	0	38	-1.0	-37.83	294.82	0.67	-37.16
CC1(C(=O)NCC2=NN=N[N-]2)CCC2(CC1)OCCO2	REAL250004592607	1	38	-1.0	-37.83	294.88	0.69	-37.14
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)NC1=O	REAL250004592608	0	23	-1.0	-46.35	235.06	-1.06	-47.41
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)NC1=O	REAL250004592608	1	23	-1.0	-46.34	235.12	-1.04	-47.38
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CC2)NC1=O	REAL250004592609	0	30	-1.0	-50.60	263.37	0.68	-49.92
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CC2)NC1=O	REAL250004592609	1	30	-1.0	-50.62	263.43	0.70	-49.92
CC(C)(C)C1=CC=C2NC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL250004592610	0	39	-1.0	-35.96	321.24	3.49	-32.47
CC(C)(C)C1=CC=C2NC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL250004592610	1	39	-1.0	-35.92	321.30	3.51	-32.41
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCC1=N[N-]N=N1	REAL250004592611	0	29	-1.0	-42.84	279.68	0.64	-42.20
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCC1=NN=N[N-]1	REAL250004592611	1	29	-1.0	-42.84	279.73	0.66	-42.18
CC1=C2C=C(C(=O)NCC3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004592612	0	29	-1.0	-40.93	270.18	2.33	-38.60
CC1=C2C=C(C(=O)NCC3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004592612	1	29	-1.0	-40.93	270.24	2.34	-38.59
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004592613	0	27	-1.0	-39.70	251.79	0.63	-39.07
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004592613	1	27	-1.0	-39.74	251.85	0.64	-39.10
CC1=C(C)N2N=CC(C(=O)NCC3=NN=N[N-]3)=C2C=C1	REAL250004592614	0	32	-1.0	-43.12	277.87	2.13	-40.99
CC1=C(C)N2N=CC(C(=O)NCC3=N[N-]N=N3)=C2C=C1	REAL250004592614	1	32	-1.0	-43.15	277.81	2.12	-41.03
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004592615	0	32	-1.0	-40.90	283.44	2.98	-37.92
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004592615	1	32	-1.0	-40.92	283.39	2.96	-37.96
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004592616	0	31	-1.0	-46.23	268.42	2.60	-43.63
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004592616	1	31	-1.0	-46.25	268.37	2.58	-43.67
O=C(NCC1=NN=N[N-]1)C1=C2C=COC2=C(F)C=C1	REAL250004592617	0	26	-1.0	-37.82	243.15	1.64	-36.18
O=C(NCC1=N[N-]N=N1)C1=C2C=COC2=C(F)C=C1	REAL250004592617	1	26	-1.0	-37.81	243.09	1.62	-36.19
O=C(NCC1=N[N-]N=N1)C1=C2C=COC2=C(Cl)C=C1	REAL250004592618	0	26	-1.0	-37.56	253.42	2.07	-35.49
O=C(NCC1=NN=N[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL250004592618	1	26	-1.0	-37.54	253.48	2.09	-35.45
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=NC=C1F	REAL250004592619	0	22	-1.0	-34.81	228.31	0.01	-34.80
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=NC=C1F	REAL250004592619	1	22	-1.0	-34.80	228.25	-0.01	-34.81
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC2=C1OCO2	REAL250004592620	0	26	-1.0	-42.14	247.99	-0.16	-42.30
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC2=C1OCO2	REAL250004592620	1	26	-1.0	-42.14	248.05	-0.14	-42.28
O=C(NCC1=NN=N[N-]1)C1=C2OC=CC2=CC(F)=C1	REAL250004592621	0	26	-1.0	-40.30	244.94	2.26	-38.04
O=C(NCC1=N[N-]N=N1)C1=C2OC=CC2=CC(F)=C1	REAL250004592621	1	26	-1.0	-40.25	244.88	2.24	-38.01
CC1=C2C=C(C(=O)NCC3=N[N-]N=N3)OC2=CC=C1	REAL250004592622	0	29	-1.0	-38.80	263.77	2.28	-36.52
CC1=C2C=C(C(=O)NCC3=NN=N[N-]3)OC2=CC=C1	REAL250004592622	1	29	-1.0	-38.82	263.82	2.29	-36.53
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592623	0	29	-1.0	-41.08	275.43	2.91	-38.17
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592623	1	29	-1.0	-41.07	275.49	2.93	-38.14
CC1=C(C=CC(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004592624	0	26	-1.0	-37.70	250.88	0.22	-37.48
CC1=C(C=CC(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004592624	1	26	-1.0	-37.67	250.94	0.23	-37.44
O=C(C=CC1=CC=C(Cl)C=C1)NCC1=N[N-]N=N1	REAL250004592625	0	27	-1.0	-36.25	262.82	2.95	-33.30
O=C(C=CC1=CC=C(Cl)C=C1)NCC1=NN=N[N-]1	REAL250004592625	1	27	-1.0	-36.21	262.88	2.97	-33.24
CC(C)(C)C1=NC=C(C=CC(=O)NCC2=N[N-]N=N2)S1	REAL250004592626	0	35	-1.0	-37.86	312.56	2.20	-35.66
CC(C)(C)C1=NC=C(C=CC(=O)NCC2=NN=N[N-]2)S1	REAL250004592626	1	35	-1.0	-37.86	312.62	2.22	-35.64
O=C(NCC1=N[N-]N=N1)C1=CNC=C1CC1=CC=CC=C1	REAL250004592627	0	34	-1.0	-42.60	293.12	3.53	-39.07
O=C(NCC1=NN=N[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL250004592627	1	34	-1.0	-42.61	293.17	3.55	-39.06
O=C(CC1=NN(CC(F)(F)F)C=C1)NCC1=N[N-]N=N1	REAL250004592628	0	29	-1.0	-45.73	277.62	1.05	-44.68
O=C(CC1=NN(CC(F)(F)F)C=C1)NCC1=NN=N[N-]1	REAL250004592628	1	29	-1.0	-45.72	277.68	1.07	-44.65
CC(C)CN1NC(CC(=O)NCC2=N[N-]N=N2)=CC1=O	REAL250004592629	1	36	-1.0	-45.13	307.00	0.29	-44.84
CC1=C(OCC(=O)NCC2=N[N-]N=N2)C(=O)C=CO1	REAL250004592630	0	29	-1.0	-48.22	267.37	1.14	-47.08
CC1=C(OCC(=O)NCC2=NN=N[N-]2)C(=O)C=CO1	REAL250004592630	1	29	-1.0	-48.23	267.43	1.16	-47.07
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCC1=N[N-]N=N1	REAL250004592631	0	31	-1.0	-40.28	283.50	3.16	-37.12
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCC1=NN=N[N-]1	REAL250004592631	1	31	-1.0	-40.28	283.55	3.18	-37.10
CC(C)(C)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004592632	0	37	-1.0	-36.48	288.24	2.18	-34.30
CC(C)(C)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004592632	1	37	-1.0	-36.48	288.29	2.20	-34.28
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL250004592633	0	23	-1.0	-35.52	236.95	0.48	-35.04
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL250004592633	1	23	-1.0	-35.50	237.01	0.49	-35.01
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592634	0	36	-1.0	-38.44	300.51	5.16	-33.28
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592634	1	36	-1.0	-38.45	300.45	5.14	-33.31
CCC1=NOC(COCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004592635	0	31	-1.0	-43.77	283.72	-1.48	-45.25
CCC1=NOC(COCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004592635	1	31	-1.0	-43.75	283.78	-1.47	-45.22
O=C(CC1CCC(C(F)(F)F)O1)NCC1=N[N-]N=N1	REAL250004592636	0	30	-1.0	-41.08	271.76	1.03	-40.05
O=C(CC1CCC(C(F)(F)F)O1)NCC1=NN=N[N-]1	REAL250004592636	1	30	-1.0	-41.13	271.82	1.05	-40.08
COC1=CC2=CC(C(=O)NCC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004592637	0	35	-1.0	-37.80	298.48	1.59	-36.21
COC1=CC2=CC(C(=O)NCC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004592637	1	35	-1.0	-37.81	298.54	1.61	-36.20
CC1=CC=C(Br)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592638	0	25	-1.0	-40.37	246.68	0.75	-39.62
CC1=CC=C(Br)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592638	1	25	-1.0	-40.36	246.73	0.76	-39.60
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1F	REAL250004592639	0	27	-1.0	-39.79	255.25	0.91	-38.88
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL250004592639	1	27	-1.0	-39.78	255.31	0.92	-38.86
CC1=CC2=CC=C(C)C(C(=O)NCC3=NN=N[N-]3)=C2C=C1	REAL250004592640	0	35	-1.0	-41.11	300.69	4.43	-36.68
CC1=CC2=CC=C(C)C(C(=O)NCC3=N[N-]N=N3)=C2C=C1	REAL250004592640	1	35	-1.0	-41.07	300.63	4.41	-36.66
CC1=NN(C)C=C1C1=NOC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592641	0	34	-1.0	-44.02	302.64	1.14	-42.88
CC1=NN(C)C=C1C1=NOC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592641	1	34	-1.0	-44.04	302.70	1.15	-42.89
O=C(NCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004592642	0	29	-1.0	-38.68	268.56	1.27	-37.41
O=C(NCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004592642	1	29	-1.0	-38.66	268.51	1.25	-37.41
O=C(NCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004592643	0	30	-1.0	-45.62	279.17	0.72	-44.90
O=C(NCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004592643	1	30	-1.0	-45.60	279.22	0.73	-44.87
CN1C(=O)CCC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004592644	0	34	-1.0	-40.45	288.24	2.14	-38.31
CN1C(=O)CCC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004592644	1	34	-1.0	-40.50	288.29	2.15	-38.35
O=C(C=CCl)NCCC(=O)NCC1=N[N-]N=N1	REAL250004592645	0	27	-1.0	-41.37	266.00	-1.59	-42.96
O=C(C=CCl)NCCC(=O)NCC1=NN=N[N-]1	REAL250004592645	1	27	-1.0	-41.36	266.06	-1.58	-42.94
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CN=C1Br	REAL250004592646	0	25	-1.0	-35.28	246.28	0.54	-34.74
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CN=C1Br	REAL250004592646	1	25	-1.0	-35.30	246.22	0.53	-34.77
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC2=C1CCCC2	REAL250004592647	0	33	-1.0	-42.09	273.70	0.56	-41.53
O=C(NCC1=NN=N[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL250004592647	1	33	-1.0	-42.10	273.76	0.58	-41.52
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004592648	0	40	-1.0	-40.19	321.71	-1.27	-41.46
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004592648	1	40	-1.0	-40.22	321.76	-1.26	-41.48
CCCC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(=O)N1	REAL250004592649	0	32	-1.0	-39.37	280.91	0.24	-39.13
CCCC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(=O)N1	REAL250004592649	1	32	-1.0	-39.34	280.96	0.25	-39.09
O=C(NCC1=N[N-]N=N1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004592650	0	26	-1.0	-40.70	253.12	-0.80	-41.50
O=C(NCC1=NN=N[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004592650	1	26	-1.0	-40.71	253.18	-0.78	-41.49
CCSC1=CNC(=O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592651	0	30	-1.0	-50.22	275.29	0.29	-49.93
CCSC1=CNC(=O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592651	1	30	-1.0	-50.20	275.35	0.30	-49.90
O=C(NCC1=N[N-]N=N1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004592652	0	29	-1.0	-44.43	271.87	1.03	-43.40
O=C(NCC1=NN=N[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004592652	1	29	-1.0	-44.41	271.93	1.04	-43.37
O=C(NCC1=N[N-]N=N1)C12CCOC1CCCC2	REAL250004592653	0	34	-1.0	-39.60	259.86	0.94	-38.66
O=C(NCC1=NN=N[N-]1)C12CCOC1CCCC2	REAL250004592653	1	34	-1.0	-39.58	259.92	0.96	-38.62
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCC1=N[N-]N=N1	REAL250004592654	0	28	-1.0	-44.23	269.37	1.31	-42.92
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCC1=NN=N[N-]1	REAL250004592654	1	28	-1.0	-44.21	269.43	1.32	-42.89
CCOC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=N1	REAL250004592655	0	32	-1.0	-42.02	283.70	-0.17	-42.19
CCOC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=N1	REAL250004592655	1	32	-1.0	-42.07	283.75	-0.15	-42.22
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC=C1Br	REAL250004592657	0	23	-1.0	-41.80	233.00	-1.22	-43.02
O=C(NCC1=NN=N[N-]1)C1=CC(=O)NC=C1Br	REAL250004592657	1	23	-1.0	-41.79	233.05	-1.20	-42.99
CC1=C(C(=O)NCC2=N[N-]N=N2)C(Br)=NN1	REAL250004592658	0	23	-1.0	-38.35	238.54	-1.35	-39.70
CC1=C(C(=O)NCC2=NN=N[N-]2)C(Br)=NN1	REAL250004592658	1	23	-1.0	-38.35	238.60	-1.34	-39.69
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NN=N[N-]1	REAL250004592659	0	31	-1.0	-50.00	283.55	-2.18	-52.18
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=N[N-]N=N1	REAL250004592659	1	31	-1.0	-50.02	283.50	-2.19	-52.21
CC1=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CNC2=N1	REAL250004592660	0	28	-1.0	-54.62	253.84	0.13	-54.49
CC1=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CNC2=N1	REAL250004592660	1	28	-1.0	-54.63	253.78	0.11	-54.52
CC1=NN(CC(=O)NCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004592661	0	31	-1.0	-46.28	281.73	1.30	-44.98
CC1=NN(CC(=O)NCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004592661	1	31	-1.0	-46.32	281.79	1.31	-45.01
O=C(NCC1=N[N-]N=N1)C1=CC=C(CN2CCCCC2)O1	REAL250004592662	0	38	-1.0	-38.23	314.49	1.00	-37.23
O=C(NCC1=NN=N[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL250004592662	1	38	-1.0	-38.22	314.55	1.02	-37.20
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NN=N[N-]1	REAL250004592663	0	31	-1.0	-49.08	283.57	-2.17	-51.25
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=N[N-]N=N1	REAL250004592663	1	31	-1.0	-49.05	283.52	-2.19	-51.24
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592664	0	38	-1.0	-38.11	316.60	3.70	-34.41
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592664	1	38	-1.0	-38.14	316.66	3.71	-34.43
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2CC2)S1	REAL250004592665	0	30	-1.0	-36.60	278.63	3.39	-33.21
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2CC2)S1	REAL250004592665	1	30	-1.0	-36.61	278.69	3.41	-33.20
COC1=CC(CC(=O)NCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004592666	0	34	-1.0	-40.60	295.19	0.53	-40.07
COC1=CC(CC(=O)NCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004592666	1	34	-1.0	-40.55	295.25	0.55	-40.00
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004592667	0	32	-1.0	-43.80	285.67	3.17	-40.63
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004592667	1	32	-1.0	-43.79	285.62	3.15	-40.64
O=C(CCCCCCCCC1CC1)NCC1=N[N-]N=N1	REAL250004592668	0	44	-1.0	-35.67	358.28	5.96	-29.71
O=C(CCCCCCCCC1CC1)NCC1=NN=N[N-]1	REAL250004592668	1	44	-1.0	-35.65	358.34	5.98	-29.67
CC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CO2	REAL250004592669	0	34	-1.0	-35.71	268.90	0.67	-35.04
CC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CO2	REAL250004592669	1	34	-1.0	-35.71	268.95	0.68	-35.03
CC(C)C1=C(C(=O)NCC2=N[N-]N=N2)SN=N1	REAL250004592670	0	27	-1.0	-32.89	253.20	-0.25	-33.14
CC(C)C1=C(C(=O)NCC2=NN=N[N-]2)SN=N1	REAL250004592670	1	27	-1.0	-32.95	253.26	-0.23	-33.18
CN1N=CC2=C1C=C(C(=O)NCC1=N[N-]N=N1)C(=O)N2	REAL250004592673	0	29	-1.0	-46.58	263.63	-1.77	-48.35
CN1N=CC2=C1C=C(C(=O)NCC1=NN=N[N-]1)C(=O)N2	REAL250004592673	1	29	-1.0	-46.55	263.69	-1.75	-48.30
COC1=C2C=CSC2=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592674	0	30	-1.0	-39.22	275.24	1.94	-37.28
COC1=C2C=CSC2=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592674	1	30	-1.0	-39.20	275.18	1.93	-37.27
CC1(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL250004592675	0	33	-1.0	-37.35	278.03	3.72	-33.63
CC1(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL250004592675	1	33	-1.0	-37.32	278.09	3.74	-33.58
CC1CCN(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C1	REAL250004592676	0	38	-1.0	-37.05	306.24	2.23	-34.82
CC1CCN(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C1	REAL250004592676	1	38	-1.0	-37.07	306.30	2.24	-34.83
CC(C(=O)NCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004592677	0	29	-1.0	-35.66	264.92	2.60	-33.06
CC(C(=O)NCC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004592677	1	29	-1.0	-35.69	264.98	2.62	-33.07
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004592678	0	30	-1.0	-45.98	275.95	-0.87	-46.85
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004592678	1	30	-1.0	-45.98	276.00	-0.86	-46.84
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004592679	0	26	-1.0	-36.37	267.38	3.14	-33.23
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004592679	1	26	-1.0	-36.34	267.44	3.16	-33.18
O=C(NCC1=NN=N[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250004592680	0	29	-1.0	-41.38	268.32	2.27	-39.11
O=C(NCC1=N[N-]N=N1)C1=NOC=C1C1=CC=CC=C1	REAL250004592680	1	29	-1.0	-41.40	268.26	2.25	-39.15
COC1=CC=CC(N2C=CC(C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL250004592681	0	34	-1.0	-47.72	302.54	1.70	-46.02
COC1=CC=CC(N2C=CC(C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL250004592681	1	34	-1.0	-47.69	302.48	1.69	-46.00
COC(C(=O)NCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004592682	0	30	-1.0	-36.71	280.82	2.21	-34.50
COC(C(=O)NCC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004592682	1	30	-1.0	-36.72	280.88	2.23	-34.49
C[C@@H]1C[C@H](C(=O)NCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004592683	0	38	-1.0	-35.25	292.16	2.97	-32.28
C[C@@H]1C[C@H](C(=O)NCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004592683	1	38	-1.0	-35.23	292.21	2.98	-32.25
CC(C)(C)C1=NNC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592684	0	31	-1.0	-35.31	272.87	-0.15	-35.46
CC(C)(C)C1=NNC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592684	1	31	-1.0	-35.31	272.93	-0.13	-35.44
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004592685	0	32	-1.0	-39.96	283.18	2.95	-37.01
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004592685	1	32	-1.0	-39.95	283.12	2.93	-37.02
O=C(NCC1=NN=N[N-]1)C1=CN(CC2CCCO2)N=N1	REAL250004592686	0	33	-1.0	-44.26	291.11	-1.32	-45.58
O=C(NCC1=N[N-]N=N1)C1=CN(CC2CCCO2)N=N1	REAL250004592686	1	33	-1.0	-44.24	291.05	-1.34	-45.58
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(OC)=N1	REAL250004592687	0	30	-1.0	-38.65	268.75	-2.01	-40.66
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(OC)=N1	REAL250004592687	1	30	-1.0	-38.63	268.69	-2.02	-40.65
NC(=O)C1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592688	0	30	-1.0	-45.05	270.73	-1.30	-46.35
NC(=O)C1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592688	1	30	-1.0	-45.10	270.79	-1.29	-46.39
CCC(=O)NC1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592689	0	32	-1.0	-45.83	283.12	-0.80	-46.63
CCC(=O)NC1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592689	1	32	-1.0	-45.82	283.06	-0.81	-46.63
NC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004592690	0	25	-1.0	-39.03	245.40	-0.21	-39.24
NC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004592690	1	25	-1.0	-39.05	245.46	-0.20	-39.25
CCOC(=O)C1CC12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL250004592691	0	36	-1.0	-38.85	310.27	3.14	-35.71
CCOC(=O)C1CC12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL250004592691	1	36	-1.0	-38.88	310.33	3.16	-35.72
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C(O)=C1	REAL250004592692	1	24	-1.0	-35.76	238.58	-1.05	-36.81
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C(O)=C1	REAL250004592692	1	24	-1.0	-35.77	238.64	-1.04	-36.81
COC(=O)C1=CC=C(CCC(=O)NCC2=N[N-]N=N2)N1	REAL250004592693	0	33	-1.0	-38.83	299.28	1.01	-37.82
COC(=O)C1=CC=C(CCC(=O)NCC2=NN=N[N-]2)N1	REAL250004592693	1	33	-1.0	-38.88	299.33	1.03	-37.85
O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004592694	0	25	-1.0	-34.08	257.70	0.66	-33.42
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004592694	1	25	-1.0	-34.07	257.64	0.65	-33.42
CCOC1(OCC)CC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592695	0	40	-1.0	-37.83	323.77	2.41	-35.42
CCOC1(OCC)CC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592695	1	40	-1.0	-37.83	323.83	2.42	-35.41
O=C(CC(C(F)F)N1C=CC=N1)NCC1=NN=N[N-]1	REAL250004592696	0	29	-1.0	-40.12	262.97	0.83	-39.29
O=C(CC(C(F)F)N1C=CC=N1)NCC1=N[N-]N=N1	REAL250004592696	1	29	-1.0	-40.13	262.91	0.81	-39.32
NC1=NC2=C(N=CN2CC(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592697	0	30	-1.0	-51.31	278.54	0.11	-51.20
NC1=NC2=C(N=CN2CC(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592697	1	30	-1.0	-51.32	278.59	0.13	-51.19
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004592698	0	37	-1.0	-34.79	304.01	2.33	-32.46
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004592698	1	37	-1.0	-34.82	304.06	2.34	-32.48
CC(C)C1=CC=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592699	0	32	-1.0	-36.65	286.52	3.54	-33.11
CC(C)C1=CC=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592699	1	32	-1.0	-36.66	286.58	3.55	-33.11
CC1CN2N=C(C(=O)NCC3=NN=N[N-]3)C=C2C(=O)N1	REAL250004592700	0	31	-1.0	-45.08	276.05	-2.66	-47.74
CC1CN2N=C(C(=O)NCC3=N[N-]N=N3)C=C2C(=O)N1	REAL250004592700	1	31	-1.0	-45.10	275.99	-2.67	-47.77
O=C(NCC1=N[N-]N=N1)C1(C2CCOCC2)CC1	REAL250004592701	0	34	-1.0	-36.54	270.40	0.88	-35.66
O=C(NCC1=NN=N[N-]1)C1(C2CCOCC2)CC1	REAL250004592701	1	34	-1.0	-36.48	270.46	0.90	-35.58
CC1(C(=O)NCC2=N[N-]N=N2)CC2CCC(C1)S2	REAL250004592702	0	34	-1.0	-38.25	266.80	2.55	-35.70
CC1(C(=O)NCC2=NN=N[N-]2)CC2CCC(C1)S2	REAL250004592702	1	34	-1.0	-38.28	266.85	2.57	-35.71
CC1(C(=O)NCC2=N[N-]N=N2)CC2CCC(C1)S2(=O)=O	REAL250004592703	0	36	-1.0	-45.86	283.35	-1.09	-46.95
CC1(C(=O)NCC2=NN=N[N-]2)CC2CCC(C1)S2(=O)=O	REAL250004592703	1	36	-1.0	-45.87	283.41	-1.08	-46.95
O=C(NCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004592704	0	27	-1.0	-34.85	249.68	-0.65	-35.50
O=C(NCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004592704	1	27	-1.0	-34.88	249.73	-0.64	-35.52
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004592705	0	28	-1.0	-40.96	267.49	-1.12	-42.08
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004592705	1	28	-1.0	-40.96	267.55	-1.10	-42.06
O=C(CC(C(F)F)N1C=CN=C1)NCC1=N[N-]N=N1	REAL250004592706	0	29	-1.0	-36.79	262.97	1.85	-34.94
O=C(CC(C(F)F)N1C=CN=C1)NCC1=NN=N[N-]1	REAL250004592706	1	29	-1.0	-36.78	263.02	1.86	-34.92
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CS2)=NO1	REAL250004592707	0	29	-1.0	-37.74	284.79	2.16	-35.58
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CS2)=NO1	REAL250004592707	1	29	-1.0	-37.75	284.74	2.14	-35.61
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=CC2=C1OCC2	REAL250004592708	0	32	-1.0	-39.32	275.68	0.11	-39.21
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL250004592708	1	32	-1.0	-39.30	275.73	0.12	-39.18
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL250004592709	0	28	-1.0	-41.72	256.31	2.12	-39.60
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CN=C12	REAL250004592709	1	28	-1.0	-41.67	256.25	2.11	-39.56
O=C(NCC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250004592710	0	26	-1.0	-46.20	256.53	0.39	-45.81
O=C(NCC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1	REAL250004592710	1	26	-1.0	-46.20	256.47	0.37	-45.83
O=C(NCC1=NN=N[N-]1)C1=NC=C(Cl)C=C1Cl	REAL250004592711	0	22	-1.0	-36.06	238.13	0.55	-35.51
O=C(NCC1=N[N-]N=N1)C1=NC=C(Cl)C=C1Cl	REAL250004592711	1	22	-1.0	-36.03	238.08	0.54	-35.49
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=N1	REAL250004592712	0	28	-1.0	-41.85	255.03	1.82	-40.03
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=N1	REAL250004592712	1	28	-1.0	-41.86	254.97	1.81	-40.05
O=C(NCC1=N[N-]N=N1)C1COC2=CC(Cl)=CC=C2C1	REAL250004592713	0	31	-1.0	-34.62	282.80	2.30	-32.32
O=C(NCC1=NN=N[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL250004592713	1	31	-1.0	-34.60	282.86	2.32	-32.28
O=C(COC1=CC=C(F)C=N1)NCC1=NN=N[N-]1	REAL250004592714	0	26	-1.0	-37.37	249.08	-0.68	-38.05
O=C(COC1=CC=C(F)C=N1)NCC1=N[N-]N=N1	REAL250004592714	1	26	-1.0	-37.41	249.02	-0.69	-38.10
CC1(C)COCC(CC(=O)NCC2=N[N-]N=N2)O1	REAL250004592715	0	34	-1.0	-39.56	278.61	0.21	-39.35
CC1(C)COCC(CC(=O)NCC2=NN=N[N-]2)O1	REAL250004592715	1	34	-1.0	-39.59	278.66	0.22	-39.37
CN1C=C(C2=NOC(C(=O)NCC3=NN=N[N-]3)C2)C=N1	REAL250004592716	0	31	-1.0	-42.85	284.30	0.45	-42.40
CN1C=C(C2=NOC(C(=O)NCC3=N[N-]N=N3)C2)C=N1	REAL250004592716	1	31	-1.0	-42.81	284.24	0.43	-42.38
O=C(CCCCC(F)(F)F)NCC1=N[N-]N=N1	REAL250004592717	0	28	-1.0	-36.39	258.80	1.66	-34.73
O=C(CCCCC(F)(F)F)NCC1=NN=N[N-]1	REAL250004592717	1	28	-1.0	-36.39	258.86	1.67	-34.72
CN1N=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004592718	0	26	-1.0	-35.08	246.42	-0.54	-35.62
CN1N=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004592718	1	26	-1.0	-35.09	246.36	-0.55	-35.64
COC1=CC=C(C(F)(F)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592719	0	29	-1.0	-34.90	273.01	-1.28	-36.18
COC1=CC=C(C(F)(F)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592719	1	29	-1.0	-34.86	272.96	-1.30	-36.16
O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CSC=N1	REAL250004592720	0	22	-1.0	-38.61	229.76	-0.31	-38.92
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CSC=N1	REAL250004592720	1	22	-1.0	-38.63	229.70	-0.33	-38.96
CC(C)(C)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004592721	0	34	-1.0	-41.04	288.09	2.13	-38.91
CC(C)(C)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004592721	1	34	-1.0	-41.05	288.04	2.11	-38.94
O=C(NCC1=NN=N[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004592722	0	29	-1.0	-50.12	269.28	-5.30	-55.42
O=C(NCC1=N[N-]N=N1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004592722	1	29	-1.0	-50.10	269.22	-5.32	-55.42
CC1=NC2=C(CCCC2CC(=O)NCC2=N[N-]N=N2)O1	REAL250004592723	0	35	-1.0	-43.83	290.42	0.70	-43.13
CC1=NC2=C(CCCC2CC(=O)NCC2=NN=N[N-]2)O1	REAL250004592723	1	35	-1.0	-43.80	290.47	0.72	-43.08
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=N[N-]N=N1	REAL250004592724	0	34	-1.0	-42.81	299.62	-0.26	-43.07
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=NN=N[N-]1	REAL250004592724	1	34	-1.0	-42.81	299.68	-0.24	-43.05
CCCCCC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592725	0	41	-1.0	-37.02	343.57	5.70	-31.32
CCCCCC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592725	1	41	-1.0	-36.97	343.63	5.71	-31.26
O=C(NCC1=N[N-]N=N1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004592726	0	31	-1.0	-34.97	278.76	1.90	-33.07
O=C(NCC1=NN=N[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004592726	1	31	-1.0	-34.95	278.81	1.92	-33.03
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592727	0	38	-1.0	-41.95	314.40	3.84	-38.11
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592727	1	38	-1.0	-41.95	314.46	3.86	-38.09
CCCCC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592728	0	31	-1.0	-36.50	284.40	1.42	-35.08
CCCCC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592728	1	31	-1.0	-36.52	284.45	1.44	-35.08
CC(C)(C)OCC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592729	0	35	-1.0	-36.53	310.48	0.25	-36.28
CC(C)(C)OCC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592729	1	35	-1.0	-36.50	310.54	0.26	-36.24
CC(=O)N1CSC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592730	0	28	-1.0	-45.34	252.71	0.61	-44.73
CC(=O)N1CSC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592730	1	28	-1.0	-45.34	252.77	0.62	-44.72
COCC1(C(=O)NCC2=N[N-]N=N2)CCCCO1	REAL250004592731	0	34	-1.0	-38.56	275.59	-0.48	-39.04
COCC1(C(=O)NCC2=NN=N[N-]2)CCCCO1	REAL250004592731	1	34	-1.0	-38.51	275.65	-0.46	-38.97
CC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004592732	0	29	-1.0	-39.84	257.36	2.79	-37.05
CC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004592732	1	29	-1.0	-39.85	257.42	2.80	-37.05
O=C(NCC1=N[N-]N=N1)[C@]12CCO[C@@H]1CCCCC2	REAL250004592733	0	37	-1.0	-38.46	260.54	1.63	-36.83
O=C(NCC1=NN=N[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250004592733	1	37	-1.0	-38.48	260.60	1.65	-36.83
O=C(NCC1=N[N-]N=N1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004592734	0	36	-1.0	-38.35	291.72	2.88	-35.47
O=C(NCC1=NN=N[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004592734	1	36	-1.0	-38.39	291.78	2.90	-35.49
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004592735	0	30	-1.0	-39.03	276.03	3.37	-35.66
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004592735	1	30	-1.0	-39.05	276.08	3.38	-35.67
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=N1	REAL250004592736	0	26	-1.0	-36.04	251.39	-1.58	-37.62
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=N1	REAL250004592736	1	26	-1.0	-36.01	251.33	-1.60	-37.61
CCC1=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CNC2=N1	REAL250004592737	0	31	-1.0	-54.25	274.45	1.01	-53.24
CCC1=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CNC2=N1	REAL250004592737	1	31	-1.0	-54.29	274.40	0.99	-53.30
O=C(NCC1=N[N-]N=N1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004592738	0	35	-1.0	-54.37	305.28	2.60	-51.77
O=C(NCC1=NN=N[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004592738	1	35	-1.0	-54.37	305.33	2.61	-51.76
O=C(NCC1=N[N-]N=N1)C(O)C1CCCCCCC1	REAL250004592739	0	39	-1.0	-35.39	288.57	1.00	-34.39
O=C(NCC1=NN=N[N-]1)C(O)C1CCCCCCC1	REAL250004592739	1	39	-1.0	-35.36	288.63	1.01	-34.35
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C2CCCCC2=N1	REAL250004592740	0	35	-1.0	-35.78	285.58	2.54	-33.24
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C2CCCCC2=N1	REAL250004592740	1	35	-1.0	-35.82	285.64	2.55	-33.27
CC[C@H](CC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004592741	0	42	-1.0	-41.14	335.88	0.50	-40.64
CC[C@H](CC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004592741	1	42	-1.0	-41.09	335.93	0.52	-40.57
CC[C@@H](CC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004592742	0	42	-1.0	-41.11	335.88	0.50	-40.61
CC[C@@H](CC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004592742	1	42	-1.0	-41.06	335.93	0.52	-40.54
O=C(NCC1=N[N-]N=N1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004592743	0	27	-1.0	-43.71	254.66	-6.09	-49.80
O=C(NCC1=NN=N[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004592743	1	27	-1.0	-43.74	254.71	-6.07	-49.81
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592744	0	37	-1.0	-38.21	314.68	0.73	-37.48
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592744	1	37	-1.0	-38.19	314.62	0.72	-37.47
O=C(NCC1=N[N-]N=N1)C1CCC(O)(C2=CC=CC=C2)C1	REAL250004592745	0	37	-1.0	-39.88	304.01	1.11	-38.77
O=C(NCC1=NN=N[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL250004592745	1	37	-1.0	-39.87	304.06	1.12	-38.75
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592746	0	34	-1.0	-38.34	293.21	-0.14	-38.48
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592746	1	34	-1.0	-38.37	293.15	-0.15	-38.52
CC1=C([C@@H]2OCC[C@H]2C(=O)NCC2=N[N-]N=N2)C=NN1C	REAL250004592747	0	37	-1.0	-37.66	308.94	0.37	-37.29
CC1=C([C@@H]2OCC[C@H]2C(=O)NCC2=NN=N[N-]2)C=NN1C	REAL250004592747	1	37	-1.0	-37.67	309.00	0.39	-37.28
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592748	0	37	-1.0	-38.17	298.22	0.70	-37.47
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592748	1	37	-1.0	-38.23	298.28	0.71	-37.52
O=C(NCC1=N[N-]N=N1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004592749	0	32	-1.0	-37.51	284.87	0.70	-36.81
O=C(NCC1=NN=N[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004592749	1	32	-1.0	-37.49	284.92	0.71	-36.78
CC(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C(C)C)O1	REAL250004592750	0	38	-1.0	-36.75	318.88	3.66	-33.09
CC(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C(C)C)O1	REAL250004592750	1	38	-1.0	-36.77	318.93	3.68	-33.09
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592751	0	31	-1.0	-41.31	279.82	0.81	-40.50
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592751	1	31	-1.0	-41.30	279.88	0.82	-40.48
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004592752	0	30	-1.0	-39.63	276.79	0.69	-38.94
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004592752	1	30	-1.0	-39.65	276.85	0.70	-38.95
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=N[N-]N=N3)O2)N1	REAL250004592753	0	30	-1.0	-38.77	283.87	-0.09	-38.86
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NN=N[N-]3)O2)N1	REAL250004592753	1	30	-1.0	-38.78	283.93	-0.07	-38.85
COC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004592754	0	33	-1.0	-38.36	282.45	1.71	-36.65
COC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004592754	1	33	-1.0	-38.41	282.50	1.72	-36.69
CN1N=C(C(=O)NCC2=N[N-]N=N2)C=C1C(F)F	REAL250004592755	0	26	-1.0	-40.65	246.38	-0.33	-40.98
CN1N=C(C(=O)NCC2=NN=N[N-]2)C=C1C(F)F	REAL250004592755	1	26	-1.0	-40.63	246.44	-0.31	-40.94
O=C(NCC1=N[N-]N=N1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004592756	0	32	-1.0	-42.38	292.32	3.95	-38.43
O=C(NCC1=NN=N[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004592756	1	32	-1.0	-42.42	292.38	3.96	-38.46
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL250004592757	0	26	-1.0	-36.10	250.72	2.20	-33.90
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250004592757	1	26	-1.0	-36.08	250.78	2.21	-33.87
CC(C)CC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592758	0	31	-1.0	-36.70	279.60	1.11	-35.59
CC(C)CC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592758	1	31	-1.0	-36.71	279.66	1.13	-35.58
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592759	0	38	-1.0	-41.64	309.45	2.80	-38.84
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592759	1	38	-1.0	-41.70	309.51	2.81	-38.89
O=C(NCC1=N[N-]N=N1)C1=CN=C2CCCC(=O)C2=C1	REAL250004592760	0	31	-1.0	-40.93	271.81	1.03	-39.90
O=C(NCC1=NN=N[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL250004592760	1	31	-1.0	-40.93	271.86	1.05	-39.88
O=C(NCC1=NN=N[N-]1)C1=CN=C2SCCN12	REAL250004592761	0	25	-1.0	-36.83	236.82	0.40	-36.43
O=C(NCC1=N[N-]N=N1)C1=CN=C2SCCN12	REAL250004592761	1	25	-1.0	-36.86	236.76	0.38	-36.48
CN1N=CC(C(=O)NCC2=NN=N[N-]2)=C1S(N)(=O)=O	REAL250004592762	0	28	-1.0	-42.93	260.87	-4.83	-47.76
CN1N=CC(C(=O)NCC2=N[N-]N=N2)=C1S(N)(=O)=O	REAL250004592762	1	28	-1.0	-42.97	260.82	-4.84	-47.81
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)F)C(F)=C1	REAL250004592763	0	26	-1.0	-40.14	250.93	2.21	-37.93
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250004592763	1	26	-1.0	-40.18	250.99	2.22	-37.96
O=C(NCC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=C1	REAL250004592764	0	36	-1.0	-36.35	307.68	4.23	-32.12
O=C(NCC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=C1	REAL250004592764	1	36	-1.0	-36.34	307.74	4.25	-32.09
CC(C)(C)CC1=NC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592765	0	34	-1.0	-36.76	296.31	1.68	-35.08
CC(C)(C)CC1=NC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592765	1	34	-1.0	-36.80	296.36	1.70	-35.10
COC(=O)C1=CC=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592766	0	32	-1.0	-42.18	282.37	2.58	-39.60
COC(=O)C1=CC=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592766	1	32	-1.0	-42.17	282.43	2.59	-39.58
COC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CC2	REAL250004592767	0	37	-1.0	-34.86	282.43	1.03	-33.83
COC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CC2	REAL250004592767	1	37	-1.0	-34.84	282.48	1.05	-33.79
CC(=O)N1CSC[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004592768	0	28	-1.0	-43.15	253.50	0.47	-42.68
CC(=O)N1CSC[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004592768	1	28	-1.0	-43.08	253.56	0.48	-42.60
O=C(NCC1=NN=N[N-]1)C1=CC=C2SC=NC2=C1	REAL250004592769	0	25	-1.0	-38.79	242.63	0.64	-38.15
O=C(NCC1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL250004592769	1	25	-1.0	-38.80	242.57	0.63	-38.17
O=C(C=CC1=CC=CC=C1Cl)NCC1=N[N-]N=N1	REAL250004592770	0	27	-1.0	-38.29	260.35	2.86	-35.43
O=C(C=CC1=CC=CC=C1Cl)NCC1=NN=N[N-]1	REAL250004592770	1	27	-1.0	-38.29	260.41	2.88	-35.41
O=C(C=CC1=CC=C(Br)O1)NCC1=N[N-]N=N1	REAL250004592771	0	24	-1.0	-37.24	250.41	1.35	-35.89
O=C(C=CC1=CC=C(Br)O1)NCC1=NN=N[N-]1	REAL250004592771	1	24	-1.0	-37.25	250.47	1.36	-35.89
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL250004592772	0	35	-1.0	-41.15	299.56	2.58	-38.57
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL250004592772	1	35	-1.0	-41.16	299.50	2.56	-38.60
CSC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592773	0	33	-1.0	-36.76	297.80	3.76	-33.00
CSC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592773	1	33	-1.0	-36.74	297.86	3.77	-32.97
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=N[N-]N=N1	REAL250004592774	0	28	-1.0	-40.99	263.65	2.20	-38.79
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=NN=N[N-]1	REAL250004592774	1	28	-1.0	-40.99	263.71	2.22	-38.77
CP(C)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592775	0	32	-1.0	-42.10	291.57	0.82	-41.28
CP(C)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592775	1	32	-1.0	-42.08	291.63	0.83	-41.25
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592776	0	28	-1.0	-44.28	268.36	-3.12	-47.40
CS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592776	1	28	-1.0	-44.25	268.30	-3.14	-47.39
COC1=CC(C#N)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592777	0	28	-1.0	-39.01	259.65	2.20	-36.81
COC1=CC(C#N)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592777	1	28	-1.0	-39.02	259.71	2.21	-36.81
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COC1=CC(=O)NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592779	1	27	-1.0	-40.85	243.58	-1.97	-42.82
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CCCCS(=O)(=O)CC(=O)NCC1=N[N-]N=N1	REAL250004592781	0	31	-1.0	-49.12	282.16	-1.59	-50.71
CCCCS(=O)(=O)CC(=O)NCC1=NN=N[N-]1	REAL250004592781	1	31	-1.0	-49.18	282.22	-1.58	-50.76
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COC1(C(=O)NCC2=N[N-]N=N2)CCCCCC1	REAL250004592784	0	36	-1.0	-34.81	270.87	1.43	-33.38
COC1(C(=O)NCC2=NN=N[N-]2)CCCCCC1	REAL250004592784	1	36	-1.0	-34.81	270.92	1.44	-33.37
CC(=O)NC(C)(C(=O)NCC1=N[N-]N=N1)C(C)C	REAL250004592785	0	35	-1.0	-43.52	278.85	0.10	-43.42
CC(=O)NC(C)(C(=O)NCC1=NN=N[N-]1)C(C)C	REAL250004592785	1	35	-1.0	-43.54	278.90	0.11	-43.43
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O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250004592787	0	31	-1.0	-39.92	271.66	4.40	-35.52
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=C1	REAL250004592787	1	31	-1.0	-39.90	271.60	4.38	-35.52
CCOC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004592788	0	36	-1.0	-46.14	311.49	3.56	-42.58
CCOC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004592788	1	36	-1.0	-46.14	311.44	3.54	-42.60
CC(C)(C(=O)NCC1=N[N-]N=N1)C(F)C1=CC=CC=C1	REAL250004592789	0	35	-1.0	-37.35	289.61	3.54	-33.81
CC(C)(C(=O)NCC1=NN=N[N-]1)C(F)C1=CC=CC=C1	REAL250004592789	1	35	-1.0	-37.32	289.67	3.55	-33.77
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1O	REAL250004592790	1	24	-1.0	-35.62	233.02	-0.08	-35.70
CC1(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL250004592791	0	33	-1.0	-36.57	278.00	3.73	-32.84
CC1(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL250004592791	1	33	-1.0	-36.60	278.06	3.74	-32.86
CC(C)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004592792	0	32	-1.0	-36.74	285.27	3.09	-33.65
CC(C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004592792	1	32	-1.0	-36.73	285.33	3.11	-33.62
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CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592794	0	33	-1.0	-38.58	290.60	2.82	-35.76
CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592794	1	33	-1.0	-38.59	290.54	2.80	-35.79
O=C(NCC1=N[N-]N=N1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL250004592795	0	33	-1.0	-43.17	296.60	2.27	-40.90
O=C(NCC1=NN=N[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL250004592795	1	33	-1.0	-43.18	296.66	2.28	-40.90
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2CC2)C=C1	REAL250004592796	0	31	-1.0	-37.30	272.02	2.22	-35.08
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2CC2)C=C1	REAL250004592796	1	31	-1.0	-37.31	272.08	2.22	-35.09
O=C(NCC1=NN=N[N-]1)C1=NC=CC2=NC=NC=C21	REAL250004592797	0	26	-1.0	-36.92	239.80	-0.34	-37.26
O=C(NCC1=N[N-]N=N1)C1=NC=CC2=NC=NC=C21	REAL250004592797	1	26	-1.0	-36.91	239.74	-0.36	-37.27
O=C(NCC1=N[N-]N=N1)C(F)(F)C1(O)CCCCCC1	REAL250004592798	0	36	-1.0	-34.52	282.43	0.99	-33.53
O=C(NCC1=NN=N[N-]1)C(F)(F)C1(O)CCCCCC1	REAL250004592798	1	36	-1.0	-34.52	282.48	1.00	-33.52
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004592799	0	32	-1.0	-40.32	280.01	2.94	-37.38
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004592799	1	32	-1.0	-40.33	280.07	2.96	-37.37
O=C(NCC1=N[N-]N=N1)C1(O)CC(C2=CC=CC=C2)C1	REAL250004592800	0	34	-1.0	-35.66	286.42	0.62	-35.04
O=C(NCC1=NN=N[N-]1)C1(O)CC(C2=CC=CC=C2)C1	REAL250004592800	1	34	-1.0	-35.66	286.47	0.63	-35.03
O=C(CCC1=C2C=CC=CC2=NN1)NCC1=N[N-]N=N1	REAL250004592801	0	32	-1.0	-38.96	284.48	1.32	-37.64
O=C(CCC1=C2C=CC=CC2=NN1)NCC1=NN=N[N-]1	REAL250004592801	1	32	-1.0	-38.99	284.53	1.34	-37.65
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250004592802	0	22	-1.0	-32.89	236.73	-0.15	-33.04
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250004592802	1	22	-1.0	-32.91	236.79	-0.13	-33.04
O=C(NCC1=N[N-]N=N1)C(O)C1(O)CCOCC1	REAL250004592803	0	32	-1.0	-34.46	259.69	-4.44	-38.90
O=C(NCC1=NN=N[N-]1)C(O)C1(O)CCOCC1	REAL250004592803	1	32	-1.0	-34.42	259.75	-4.43	-38.85
COC1=C(Cl)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592804	0	27	-1.0	-37.88	256.77	2.39	-35.49
COC1=C(Cl)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592804	1	27	-1.0	-37.86	256.83	2.40	-35.46
CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592805	0	30	-1.0	-37.00	270.44	0.16	-36.84
CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592805	1	30	-1.0	-37.01	270.49	0.18	-36.83
CC(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C(C)C)N1	REAL250004592806	0	39	-1.0	-40.00	320.43	2.84	-37.16
CC(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C(C)C)N1	REAL250004592806	1	39	-1.0	-40.00	320.49	2.86	-37.14
CC1=NC(C(=O)NCC2=N[N-]N=N2)=C2CCCCN12	REAL250004592807	0	33	-1.0	-45.36	277.37	1.94	-43.42
CC1=NC(C(=O)NCC2=NN=N[N-]2)=C2CCCCN12	REAL250004592807	1	33	-1.0	-45.36	277.43	1.95	-43.41
N#CC1=C2CCCCN2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592808	0	32	-1.0	-36.23	278.06	2.90	-33.33
N#CC1=C2CCCCN2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592808	1	32	-1.0	-36.21	278.12	2.92	-33.29
CN1N=CC(Cl)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004592809	0	26	-1.0	-38.33	253.83	-0.04	-38.37
CN1N=CC(Cl)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004592809	1	26	-1.0	-38.31	253.89	-0.02	-38.33
O=C(NCC1=N[N-]N=N1)C1CCC2=NNC(=O)N2C1	REAL250004592810	0	30	-1.0	-41.92	261.22	-0.95	-42.87
O=C(NCC1=NN=N[N-]1)C1CCC2=NNC(=O)N2C1	REAL250004592810	1	30	-1.0	-41.92	261.28	-0.93	-42.85
CC1=C(C)C(C(=O)NCC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004592811	0	29	-1.0	-38.29	278.79	1.76	-36.53
CC1=C(C)C(C(=O)NCC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004592811	1	29	-1.0	-38.26	278.85	1.77	-36.49
CC1=CC(C(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004592812	0	28	-1.0	-33.85	258.78	1.77	-32.08
CC1=CC(C(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004592812	1	28	-1.0	-33.86	258.84	1.79	-32.07
COC1=CN(CC(=O)NCC2=N[N-]N=N2)C(C)=CC1=O	REAL250004592813	0	33	-1.0	-49.40	288.41	1.38	-48.02
COC1=CN(CC(=O)NCC2=NN=N[N-]2)C(C)=CC1=O	REAL250004592813	1	33	-1.0	-49.41	288.47	1.39	-48.02
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CC1	REAL250004592814	0	36	-1.0	-35.79	302.85	4.84	-30.95
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250004592814	1	36	-1.0	-35.78	302.91	4.85	-30.93
O=C(NCC1=NN=N[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004592815	0	28	-1.0	-44.05	273.89	0.28	-43.77
O=C(NCC1=N[N-]N=N1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004592815	1	28	-1.0	-44.06	273.84	0.27	-43.79
O=C(CN1N=CC=C1C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004592816	0	33	-1.0	-41.50	288.99	2.38	-39.12
O=C(CN1N=CC=C1C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004592816	1	33	-1.0	-41.50	288.94	2.37	-39.13
O=C(NCC1=N[N-]N=N1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004592817	0	37	-1.0	-39.68	291.43	3.69	-35.99
O=C(NCC1=NN=N[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004592817	1	37	-1.0	-39.65	291.49	3.71	-35.94
O=C(NCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004592818	0	29	-1.0	-42.08	273.05	-0.30	-42.38
O=C(NCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004592818	1	29	-1.0	-42.09	272.99	-0.32	-42.41
CC1=CC=C(OCCC(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004592819	0	33	-1.0	-36.63	303.49	2.78	-33.85
CC1=CC=C(OCCC(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004592819	1	33	-1.0	-36.61	303.55	2.79	-33.82
O=C(NCC1=NN=N[N-]1)C1=CC=CN=C1OCCO	REAL250004592820	0	30	-1.0	-44.23	269.87	-2.99	-47.22
O=C(NCC1=N[N-]N=N1)C1=CC=CN=C1OCCO	REAL250004592820	1	30	-1.0	-44.24	269.81	-3.00	-47.24
O=C(NCC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004592821	0	25	-1.0	-35.33	249.21	1.28	-34.05
O=C(NCC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004592821	1	25	-1.0	-35.32	249.27	1.29	-34.03
O=C(NCC1=NN=N[N-]1)C1=C(O)C=CC2=CC=CC=C21	REAL250004592822	0	30	-1.0	-43.07	271.30	0.50	-42.57
O=C(NCC1=N[N-]N=N1)C1=C(O)C=CC2=CC=CC=C21	REAL250004592822	1	30	-1.0	-43.05	271.24	0.48	-42.57
O=C(CCC1=CC=C(CO)C=C1)NCC1=N[N-]N=N1	REAL250004592823	0	33	-1.0	-38.49	290.40	0.06	-38.43
O=C(CCC1=CC=C(CO)C=C1)NCC1=NN=N[N-]1	REAL250004592823	1	33	-1.0	-38.49	290.45	0.08	-38.41
O=C(NCC1=NN=N[N-]1)C1=NN2C=C(CCO)C=NC2=N1	REAL250004592824	0	31	-1.0	-47.94	286.89	-0.52	-48.46
O=C(NCC1=N[N-]N=N1)C1=NN2C=C(CCO)C=NC2=N1	REAL250004592824	1	31	-1.0	-47.94	286.83	-0.53	-48.47
O=C(NCC1=NN=N[N-]1)C1=C(Br)C=NS1	REAL250004592825	0	19	-1.0	-33.53	217.44	-0.50	-34.03
O=C(NCC1=N[N-]N=N1)C1=C(Br)C=NS1	REAL250004592825	1	19	-1.0	-33.52	217.38	-0.52	-34.04
O=C(NCC1=NN=N[N-]1)C1=CN=C(Cl)C=C1Cl	REAL250004592826	0	22	-1.0	-33.87	236.21	0.42	-33.45
O=C(NCC1=N[N-]N=N1)C1=CN=C(Cl)C=C1Cl	REAL250004592826	1	22	-1.0	-33.92	236.15	0.40	-33.52
CC1=CN=C2C(=C1)C=NN2CC(=O)NCC1=NN=N[N-]1	REAL250004592827	0	31	-1.0	-45.02	281.25	1.36	-43.66
CC1=CN=C2C(=C1)C=NN2CC(=O)NCC1=N[N-]N=N1	REAL250004592827	1	31	-1.0	-45.03	281.19	1.34	-43.69
O=C(NCC1=NN=N[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL250004592828	0	37	-1.0	-40.40	313.20	0.95	-39.45
O=C(NCC1=N[N-]N=N1)C1=CN(CC2CCCCO2)N=C1	REAL250004592828	1	37	-1.0	-40.38	313.14	0.94	-39.44
O=C(NCC1=N[N-]N=N1)C1=CSC2=C1CCCCCC2	REAL250004592829	0	36	-1.0	-37.23	287.47	3.68	-33.55
O=C(NCC1=NN=N[N-]1)C1=CSC2=C1CCCCCC2	REAL250004592829	1	36	-1.0	-37.26	287.53	3.69	-33.57
CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=N[N-]N=N1	REAL250004592830	0	36	-1.0	-37.13	298.18	3.73	-33.40
CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=NN=N[N-]1	REAL250004592830	1	36	-1.0	-37.12	298.23	3.74	-33.38
CCC(C(=O)NCC1=N[N-]N=N1)C1(O)CCCCC1	REAL250004592831	0	39	-1.0	-34.71	286.14	0.86	-33.85
CCC(C(=O)NCC1=NN=N[N-]1)C1(O)CCCCC1	REAL250004592831	1	39	-1.0	-34.69	286.20	0.87	-33.82
COC(=O)C1=C(C(=O)NCC2=N[N-]N=N2)NN=C1C	REAL250004592832	0	29	-1.0	-38.43	270.61	-1.09	-39.52
COC(=O)C1=C(C(=O)NCC2=NN=N[N-]2)NN=C1C	REAL250004592832	1	29	-1.0	-38.37	270.67	-1.08	-39.45
C#CC1=CC=CC(NC(=O)CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004592833	0	32	-1.0	-50.54	294.85	2.80	-47.74
C#CC1=CC=CC(NC(=O)CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004592833	1	32	-1.0	-50.48	294.91	2.81	-47.67
O=C(NCC1=NN=N[N-]1)C(F)(F)C(O)C1=CC=CC=C1	REAL250004592834	0	30	-1.0	-35.89	274.06	0.24	-35.65
O=C(NCC1=N[N-]N=N1)C(F)(F)C(O)C1=CC=CC=C1	REAL250004592834	1	30	-1.0	-35.86	274.00	0.23	-35.63
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=N[N-]N=N3)(C1)C2	REAL250004592835	0	39	-1.0	-36.48	324.66	3.51	-32.97
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=NN=N[N-]3)(C1)C2	REAL250004592835	1	39	-1.0	-36.49	324.72	3.53	-32.96
CC1=CC=CN2N=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004592836	0	29	-1.0	-43.95	263.59	1.54	-42.41
CC1=CC=CN2N=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004592836	1	29	-1.0	-43.94	263.54	1.53	-42.41
O=C(NCC1=N[N-]N=N1)C1=CC=C2CCNC(=O)C2=C1	REAL250004592837	0	31	-1.0	-46.23	271.14	-0.29	-46.52
O=C(NCC1=NN=N[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL250004592837	1	31	-1.0	-46.18	271.20	-0.28	-46.46
CN1N=CC2=NC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL250004592838	0	28	-1.0	-37.31	255.77	-0.70	-38.01
CN1N=CC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL250004592838	1	28	-1.0	-37.31	255.71	-0.72	-38.03
CC1=CC2=CC=NC=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592839	0	31	-1.0	-39.88	269.48	2.37	-37.51
CC1=CC2=CC=NC=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592839	1	31	-1.0	-39.91	269.42	2.35	-37.56
CC(C)(C)OCCOCCC(=O)NCC1=N[N-]N=N1	REAL250004592840	0	39	-1.0	-37.28	321.48	0.35	-36.93
CC(C)(C)OCCOCCC(=O)NCC1=NN=N[N-]1	REAL250004592840	1	39	-1.0	-37.30	321.54	0.37	-36.93
COC(=O)C1=CC(CCC(=O)NCC2=N[N-]N=N2)=CN1	REAL250004592841	0	33	-1.0	-41.76	299.24	1.14	-40.62
COC(=O)C1=CC(CCC(=O)NCC2=NN=N[N-]2)=CN1	REAL250004592841	1	33	-1.0	-41.79	299.30	1.16	-40.63
O=C(NCC1=NN=N[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL250004592842	0	33	-1.0	-40.90	293.36	3.81	-37.09
O=C(NCC1=N[N-]N=N1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL250004592842	1	33	-1.0	-40.87	293.30	3.80	-37.07
CN(C)C(C(=O)NCC1=N[N-]N=N1)C1=CSC=N1	REAL250004592843	0	30	-1.0	-38.24	271.66	-1.87	-40.11
CN(C)C(C(=O)NCC1=NN=N[N-]1)C1=CSC=N1	REAL250004592843	1	30	-1.0	-38.27	271.72	-1.85	-40.12
O=C(NCC1=N[N-]N=N1)C1=CC=C2CCC(=O)NC2=C1	REAL250004592844	0	31	-1.0	-40.50	271.35	0.42	-40.08
O=C(NCC1=NN=N[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL250004592844	1	31	-1.0	-40.53	271.40	0.44	-40.09
CC1=CC=CN2C(CC(=O)NCC3=N[N-]N=N3)=CN=C12	REAL250004592845	0	32	-1.0	-43.67	284.14	2.90	-40.77
CC1=CC=CN2C(CC(=O)NCC3=NN=N[N-]3)=CN=C12	REAL250004592845	1	32	-1.0	-43.66	284.20	2.91	-40.75
CC1(OCC(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004592846	0	34	-1.0	-38.43	275.94	-0.07	-38.50
CC1(OCC(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004592846	1	34	-1.0	-38.42	276.00	-0.05	-38.47
O=C(NCC1=N[N-]N=N1)C1=C(CO)C2=CC=CC=C2O1	REAL250004592847	0	30	-1.0	-41.64	271.97	-1.02	-42.66
O=C(NCC1=NN=N[N-]1)C1=C(CO)C2=CC=CC=C2O1	REAL250004592847	1	30	-1.0	-41.64	272.03	-1.01	-42.65
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592848	0	32	-1.0	-46.47	296.88	-0.55	-47.02
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592848	1	32	-1.0	-46.46	296.94	-0.54	-47.00
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004592849	0	33	-1.0	-40.53	299.95	3.67	-36.86
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004592849	1	33	-1.0	-40.53	299.89	3.66	-36.87
CC(=O)N[C@@H](C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL250004592850	0	35	-1.0	-36.44	280.65	-0.16	-36.60
CC(=O)N[C@@H](C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL250004592850	1	35	-1.0	-36.43	280.71	-0.15	-36.58
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2CCCCC2)=NO1	REAL250004592851	0	38	-1.0	-35.60	318.60	3.28	-32.32
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004592851	1	38	-1.0	-35.63	318.66	3.30	-32.33
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004592852	0	35	-1.0	-35.52	300.60	2.67	-32.85
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004592852	1	35	-1.0	-35.54	300.66	2.69	-32.85
CN1C=C(C2(C(=O)NCC3=NN=N[N-]3)CCCO2)C=N1	REAL250004592853	0	34	-1.0	-38.84	289.75	-0.21	-39.05
CN1C=C(C2(C(=O)NCC3=N[N-]N=N3)CCCO2)C=N1	REAL250004592853	1	34	-1.0	-38.82	289.69	-0.22	-39.04
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=N[N-]N=N1	REAL250004592854	0	29	-1.0	-40.81	267.98	-0.57	-41.38
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=NN=N[N-]1	REAL250004592854	1	29	-1.0	-40.81	268.03	-0.56	-41.37
C=CCCCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592855	0	36	-1.0	-37.20	310.26	4.81	-32.39
C=CCCCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592855	1	36	-1.0	-37.18	310.31	4.82	-32.36
O=C(NCC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004592856	0	33	-1.0	-35.68	280.68	2.96	-32.72
O=C(NCC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004592856	1	33	-1.0	-35.63	280.73	2.98	-32.65
CCOC(=O)C1=NNC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592857	0	29	-1.0	-35.62	272.14	-0.81	-36.43
CCOC(=O)C1=NNC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592857	1	29	-1.0	-35.60	272.20	-0.79	-36.39
O=C(CSC1=CC=CC=N1)NCC1=NN=N[N-]1	REAL250004592858	0	26	-1.0	-38.36	252.85	0.82	-37.54
O=C(CSC1=CC=CC=N1)NCC1=N[N-]N=N1	REAL250004592858	1	26	-1.0	-38.35	252.79	0.80	-37.55
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2(O)COC2)C=C1	REAL250004592860	0	32	-1.0	-37.78	277.38	-1.69	-39.47
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2(O)COC2)C=C1	REAL250004592860	1	32	-1.0	-37.77	277.44	-1.68	-39.45
CN1N=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004592861	0	23	-1.0	-37.77	248.29	-0.09	-37.86
CN1N=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004592861	1	23	-1.0	-37.74	248.23	-0.10	-37.84
O=C(CC(C(F)F)N1CCOCC1)NCC1=N[N-]N=N1	REAL250004592862	0	35	-1.0	-38.16	283.95	-1.68	-39.84
O=C(CC(C(F)F)N1CCOCC1)NCC1=NN=N[N-]1	REAL250004592862	1	35	-1.0	-38.22	284.01	-1.66	-39.88
CC1=C(C(=O)NCC2=N[N-]N=N2)NC(C2=CC=CN=C2)=N1	REAL250004592863	0	32	-1.0	-37.87	286.35	0.52	-37.35
CC1=C(C(=O)NCC2=NN=N[N-]2)NC(C2=CC=CN=C2)=N1	REAL250004592863	1	32	-1.0	-37.86	286.40	0.53	-37.33
CC1=CC(C)=C2C=C(C(=O)NCC3=N[N-]N=N3)SC2=N1	REAL250004592864	0	31	-1.0	-40.66	286.68	1.94	-38.72
CC1=CC(C)=C2C=C(C(=O)NCC3=NN=N[N-]3)SC2=N1	REAL250004592864	1	31	-1.0	-40.63	286.74	1.96	-38.67
NC1=C(C(=O)NCC2=NN=N[N-]2)C=CN=C1C(F)(F)F	REAL250004592865	0	27	-1.0	-33.69	252.95	-1.05	-34.74
NC1=C(C(=O)NCC2=N[N-]N=N2)C=CN=C1C(F)(F)F	REAL250004592865	1	27	-1.0	-33.67	252.89	-1.06	-34.73
CCC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004592866	0	34	-1.0	-38.93	293.84	2.98	-35.95
CCC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004592866	1	34	-1.0	-38.93	293.78	2.96	-35.97
COC1(C(F)(F)C(=O)NCC2=N[N-]N=N2)CCCCC1	REAL250004592867	0	36	-1.0	-34.85	285.70	2.34	-32.51
COC1(C(F)(F)C(=O)NCC2=NN=N[N-]2)CCCCC1	REAL250004592867	1	36	-1.0	-34.83	285.76	2.35	-32.48
O=C(NCC1=N[N-]N=N1)C1(C2CCCO2)CCCO1	REAL250004592868	0	35	-1.0	-35.96	279.61	0.22	-35.74
O=C(NCC1=NN=N[N-]1)C1(C2CCCO2)CCCO1	REAL250004592868	1	35	-1.0	-35.98	279.67	0.24	-35.74
O=C(C=CC1=CC=C(F)C=C1F)NCC1=N[N-]N=N1	REAL250004592869	0	27	-1.0	-37.24	258.01	2.54	-34.70
O=C(C=CC1=CC=C(F)C=C1F)NCC1=NN=N[N-]1	REAL250004592869	1	27	-1.0	-37.24	258.06	2.56	-34.68
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004592870	0	27	-1.0	-36.96	257.20	0.88	-36.08
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004592870	1	27	-1.0	-36.97	257.26	0.90	-36.07
O=C(NCC1=N[N-]N=N1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004592871	0	36	-1.0	-41.24	291.61	2.78	-38.46
O=C(NCC1=NN=N[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004592871	1	36	-1.0	-41.26	291.66	2.79	-38.47
COCC1(CC(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004592872	0	36	-1.0	-35.64	285.80	1.16	-34.48
COCC1(CC(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004592872	1	36	-1.0	-35.65	285.86	1.17	-34.48
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592873	0	34	-1.0	-36.23	295.78	2.20	-34.03
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592873	1	34	-1.0	-36.24	295.72	2.19	-34.05
CC1(C)OC(=O)C2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004592874	0	33	-1.0	-42.17	291.82	2.94	-39.23
CC1(C)OC(=O)C2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004592874	1	33	-1.0	-42.17	291.87	2.95	-39.22
NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592875	0	29	-1.0	-48.89	273.38	-2.17	-51.06
NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592875	1	29	-1.0	-48.88	273.44	-2.15	-51.03
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CCl)=C1	REAL250004592876	0	26	-1.0	-37.96	250.10	2.52	-35.44
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CCl)=C1	REAL250004592876	1	26	-1.0	-37.93	250.16	2.53	-35.40
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCO1	REAL250004592877	0	37	-1.0	-37.12	297.70	3.01	-34.11
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCO1	REAL250004592877	1	37	-1.0	-37.14	297.76	3.03	-34.11
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592878	0	37	-1.0	-35.90	306.45	0.33	-35.57
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592878	1	37	-1.0	-35.89	306.50	0.34	-35.55
O=C(NCC1=N[N-]N=N1)C1=NN2C=CNC(=O)C2=C1	REAL250004592879	0	26	-1.0	-46.93	247.49	-2.11	-49.04
O=C(NCC1=NN=N[N-]1)C1=NN2C=CNC(=O)C2=C1	REAL250004592879	1	26	-1.0	-46.94	247.54	-2.10	-49.04
COC(=O)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004592880	0	31	-1.0	-36.55	272.00	0.67	-35.88
COC(=O)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004592880	1	31	-1.0	-36.56	272.06	0.68	-35.88
CC(=O)NC1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592881	0	36	-1.0	-43.15	297.28	-0.18	-43.33
CC(=O)NC1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592881	1	36	-1.0	-43.10	297.34	-0.17	-43.27
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004592882	0	32	-1.0	-36.75	280.66	0.38	-36.37
CN(C)C(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004592882	1	32	-1.0	-36.73	280.61	0.36	-36.37
CC1=C(C(=O)NCC2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL250004592883	0	31	-1.0	-36.73	276.86	2.18	-34.55
CC1=C(C(=O)NCC2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL250004592883	1	31	-1.0	-36.78	276.92	2.19	-34.59
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1OC(F)F	REAL250004592884	0	30	-1.0	-41.40	270.85	1.55	-39.85
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1OC(F)F	REAL250004592884	1	30	-1.0	-41.41	270.90	1.56	-39.85
O=C(NCC1=N[N-]N=N1)C1CCC(C(F)(F)F)N1	REAL250004592885	0	28	-1.0	-34.63	254.23	-1.72	-36.35
O=C(NCC1=NN=N[N-]1)C1CCC(C(F)(F)F)N1	REAL250004592885	1	28	-1.0	-34.64	254.28	-1.71	-36.35
CCC1=C(C(=O)NCC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004592886	0	32	-1.0	-39.19	286.32	4.01	-35.18
CCC1=C(C(=O)NCC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004592886	1	32	-1.0	-39.21	286.38	4.02	-35.19
C[C@H](CC1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL250004592887	0	38	-1.0	-35.30	294.12	3.40	-31.90
C[C@H](CC1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL250004592887	1	38	-1.0	-35.31	294.18	3.42	-31.89
CC1=CC(COCC(=O)NCC2=N[N-]N=N2)=NO1	REAL250004592888	0	29	-1.0	-40.04	266.85	0.48	-39.56
CC1=CC(COCC(=O)NCC2=NN=N[N-]2)=NO1	REAL250004592888	1	29	-1.0	-40.07	266.91	0.49	-39.58
CC1=CC=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CN=C12	REAL250004592889	0	31	-1.0	-38.89	273.02	2.47	-36.42
CC1=CC=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CN=C12	REAL250004592889	1	31	-1.0	-38.86	272.96	2.46	-36.40
COC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004592890	0	34	-1.0	-37.94	293.03	2.27	-35.67
COC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004592890	1	34	-1.0	-37.98	293.09	2.28	-35.70
CC(C)C1CCC(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592891	0	36	-1.0	-41.21	286.62	-0.44	-41.65
CC(C)C1CCC(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592891	1	36	-1.0	-41.19	286.68	-0.42	-41.61
NC1=C(Cl)N=CN=C1NCC(=O)NCC1=NN=N[N-]1	REAL250004592892	0	28	-1.0	-35.32	267.63	-1.97	-37.29
NC1=C(Cl)N=CN=C1NCC(=O)NCC1=N[N-]N=N1	REAL250004592892	1	28	-1.0	-35.32	267.57	-1.99	-37.31
CC1=C(C(=O)NCC2=N[N-]N=N2)NN=C1C(F)(F)F	REAL250004592893	0	26	-1.0	-32.89	250.91	-0.70	-33.59
CC1=C(C(=O)NCC2=NN=N[N-]2)NN=C1C(F)(F)F	REAL250004592893	1	26	-1.0	-32.88	250.97	-0.68	-33.56
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC1=N[N-]N=N1	REAL250004592894	0	37	-1.0	-39.42	313.08	-3.33	-42.75
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC1=NN=N[N-]1	REAL250004592894	1	37	-1.0	-39.38	313.13	-3.32	-42.70
O=C(NCC1=NN=N[N-]1)C1=CC=NC=C1N1C=CC=N1	REAL250004592895	0	29	-1.0	-44.03	263.24	0.88	-43.15
O=C(NCC1=N[N-]N=N1)C1=CC=NC=C1N1C=CC=N1	REAL250004592895	1	29	-1.0	-44.03	263.19	0.87	-43.16
O=C(NCC1=N[N-]N=N1)C1=CSC(C2=CNC=N2)=N1	REAL250004592896	0	26	-1.0	-51.05	260.11	-0.42	-51.47
O=C(NCC1=NN=N[N-]1)C1=CSC(C2=CNC=N2)=N1	REAL250004592896	1	26	-1.0	-51.02	260.16	-0.41	-51.43
NS(=O)(=O)C1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004592897	0	28	-1.0	-48.04	248.55	-4.48	-52.52
NS(=O)(=O)C1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004592897	1	28	-1.0	-48.00	248.60	-4.47	-52.47
O=C(CC1=NC(C(F)(F)F)=CS1)NCC1=N[N-]N=N1	REAL250004592898	0	25	-1.0	-39.19	261.92	0.08	-39.11
O=C(CC1=NC(C(F)(F)F)=CS1)NCC1=NN=N[N-]1	REAL250004592898	1	25	-1.0	-39.20	261.98	0.09	-39.11
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004592899	0	32	-1.0	-36.19	282.35	2.59	-33.60
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004592899	1	32	-1.0	-36.24	282.41	2.60	-33.64
COC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004592900	0	29	-1.0	-36.95	278.80	2.41	-34.54
COC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004592900	1	29	-1.0	-36.94	278.86	2.42	-34.52
CC1=CC(Cl)=CC(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004592901	0	29	-1.0	-35.21	271.01	2.67	-32.54
CC1=CC(Cl)=CC(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004592901	1	29	-1.0	-35.18	271.07	2.69	-32.49
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592902	0	36	-1.0	-39.58	292.55	0.24	-39.34
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592902	1	36	-1.0	-39.57	292.61	0.26	-39.31
O=C(NCC1=N[N-]N=N1)C1CC2(C1)CC1(CCC1)C2	REAL250004592903	0	37	-1.0	-35.38	300.62	3.92	-31.46
O=C(NCC1=NN=N[N-]1)C1CC2(C1)CC1(CCC1)C2	REAL250004592903	1	37	-1.0	-35.36	300.68	3.93	-31.43
O=C(NCC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004592904	0	32	-1.0	-41.19	284.13	2.80	-38.39
O=C(NCC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004592904	1	32	-1.0	-41.15	284.19	2.81	-38.34
O=C(CON=C1CCCCCC1)NCC1=N[N-]N=N1	REAL250004592905	0	36	-1.0	-39.36	295.06	2.61	-36.75
O=C(CON=C1CCCCCC1)NCC1=NN=N[N-]1	REAL250004592905	1	36	-1.0	-39.32	295.12	2.62	-36.70
COC(=O)C1(C)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592906	0	32	-1.0	-37.41	277.01	1.38	-36.03
COC(=O)C1(C)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592906	1	32	-1.0	-37.50	277.06	1.39	-36.11
O=C(NCC1=NN=N[N-]1)C1=C2SC=CC2=NC=C1	REAL250004592907	0	25	-1.0	-37.70	241.41	0.76	-36.94
O=C(NCC1=N[N-]N=N1)C1=C2SC=CC2=NC=C1	REAL250004592907	1	25	-1.0	-37.70	241.35	0.74	-36.96
CN1CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004592908	0	33	-1.0	-39.64	285.88	0.42	-39.22
CN1CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004592908	1	33	-1.0	-39.62	285.94	0.44	-39.18
CC(C)N1C=NN=C1CC(=O)NCC1=N[N-]N=N1	REAL250004592909	0	31	-1.0	-43.96	272.05	2.08	-41.88
CC(C)N1C=NN=C1CC(=O)NCC1=NN=N[N-]1	REAL250004592909	1	31	-1.0	-43.95	272.11	2.10	-41.85
CC(F)(F)C1(C(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004592910	0	33	-1.0	-34.69	265.54	0.19	-34.50
CC(F)(F)C1(C(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004592910	1	33	-1.0	-34.72	265.60	0.21	-34.51
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL250004592911	0	31	-1.0	-38.15	280.31	-0.61	-38.76
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL250004592911	1	31	-1.0	-38.18	280.37	-0.59	-38.77
O=C(NCC1=N[N-]N=N1)C1(C2CCCO2)CCC1	REAL250004592912	0	34	-1.0	-39.09	270.28	2.20	-36.89
O=C(NCC1=NN=N[N-]1)C1(C2CCCO2)CCC1	REAL250004592912	1	34	-1.0	-39.08	270.34	2.21	-36.87
O=C(NCC1=N[N-]N=N1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004592913	0	34	-1.0	-40.13	274.59	-1.07	-41.20
O=C(NCC1=NN=N[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004592913	1	34	-1.0	-40.14	274.64	-1.05	-41.19
O=C(NCC1=N[N-]N=N1)C1(C2CCCCO2)CCCO1	REAL250004592914	0	38	-1.0	-36.24	299.67	1.51	-34.73
O=C(NCC1=NN=N[N-]1)C1(C2CCCCO2)CCCO1	REAL250004592914	1	38	-1.0	-36.26	299.73	1.53	-34.73
CS(=O)(=O)C1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004592915	0	26	-1.0	-42.54	255.58	-1.08	-43.62
CS(=O)(=O)C1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004592915	1	26	-1.0	-42.54	255.63	-1.07	-43.61
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004592916	0	29	-1.0	-37.14	282.33	1.94	-35.20
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004592916	1	29	-1.0	-37.15	282.27	1.92	-35.23
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CCC2)N=C1	REAL250004592917	0	32	-1.0	-37.06	272.38	1.99	-35.07
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CCC2)N=C1	REAL250004592917	1	32	-1.0	-37.09	272.44	2.00	-35.09
CC1=CN2C=C(C(=O)NCC3=N[N-]N=N3)SC2=N1	REAL250004592918	0	26	-1.0	-38.15	253.52	1.70	-36.45
CC1=CN2C=C(C(=O)NCC3=NN=N[N-]3)SC2=N1	REAL250004592918	1	26	-1.0	-38.18	253.57	1.72	-36.46
CCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004592919	0	32	-1.0	-35.10	288.42	3.64	-31.46
CCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004592919	1	32	-1.0	-35.09	288.47	3.65	-31.44
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=CC(Cl)=C1	REAL250004592920	0	27	-1.0	-36.57	260.51	0.51	-36.06
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=CC(Cl)=C1	REAL250004592920	1	27	-1.0	-36.54	260.57	0.53	-36.01
CC1=CC=C2SC(C(=O)NCC3=N[N-]N=N3)CC2=C1	REAL250004592921	0	31	-1.0	-38.20	281.14	3.43	-34.77
CC1=CC=C2SC(C(=O)NCC3=NN=N[N-]3)CC2=C1	REAL250004592921	1	31	-1.0	-38.20	281.19	3.45	-34.75
O=C(CC1=CC=C(C2CCC2)C=C1)NCC1=N[N-]N=N1	REAL250004592922	0	36	-1.0	-37.13	301.95	4.51	-32.62
O=C(CC1=CC=C(C2CCC2)C=C1)NCC1=NN=N[N-]1	REAL250004592922	1	36	-1.0	-37.13	302.01	4.53	-32.60
O=C(NCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004592923	0	31	-1.0	-40.10	283.38	2.61	-37.49
O=C(NCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004592923	1	31	-1.0	-40.10	283.33	2.60	-37.50
O=C(NCC1=NN=N[N-]1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004592924	0	30	-1.0	-40.28	267.67	0.74	-39.54
O=C(NCC1=N[N-]N=N1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004592924	1	30	-1.0	-40.30	267.62	0.73	-39.57
CC1=CC(C2CC2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004592925	0	32	-1.0	-37.15	272.60	2.20	-34.95
CC1=CC(C2CC2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004592925	1	32	-1.0	-37.18	272.66	2.21	-34.97
O=C(NCC1=N[N-]N=N1)C1=CC=C2CNC(=O)NC2=C1	REAL250004592926	0	30	-1.0	-41.31	265.86	-1.69	-43.00
O=C(NCC1=NN=N[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250004592926	1	30	-1.0	-41.30	265.92	-1.67	-42.97
O=C(NCC1=NN=N[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004592927	0	36	-1.0	-42.08	292.98	3.70	-38.38
O=C(NCC1=N[N-]N=N1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004592927	1	36	-1.0	-42.10	292.92	3.69	-38.41
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CC1	REAL250004592928	0	40	-1.0	-34.95	322.35	1.03	-33.92
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CC1	REAL250004592928	1	40	-1.0	-34.96	322.41	1.04	-33.92
CC1=CC=C(C(C)CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592929	0	35	-1.0	-35.81	292.43	3.84	-31.97
CC1=CC=C(C(C)CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592929	1	35	-1.0	-35.83	292.49	3.86	-31.97
O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CN=CS1	REAL250004592930	0	22	-1.0	-35.22	232.28	-0.68	-35.90
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CN=CS1	REAL250004592930	1	22	-1.0	-35.25	232.22	-0.69	-35.94
O=C(C#CC12CC3CC(CC(C3)C1)C2)NCC1=N[N-]N=N1	REAL250004592931	0	39	-1.0	-36.38	307.46	4.51	-31.87
O=C(C#CC12CC3CC(CC(C3)C1)C2)NCC1=NN=N[N-]1	REAL250004592931	1	39	-1.0	-36.37	307.52	4.52	-31.85
CC1=C(C)C2=C(C=C(C(=O)NCC3=N[N-]N=N3)N2)O1	REAL250004592932	0	30	-1.0	-37.86	267.16	0.68	-37.18
CC1=C(C)C2=C(C=C(C(=O)NCC3=NN=N[N-]3)N2)O1	REAL250004592932	1	30	-1.0	-37.89	267.21	0.69	-37.20
CC1=C(Cl)C=C2NC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL250004592933	0	30	-1.0	-34.95	280.64	2.26	-32.69
CC1=C(Cl)C=C2NC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL250004592933	1	30	-1.0	-34.98	280.70	2.27	-32.71
COC1=CC=C2C=C(C(=O)NCC3=N[N-]N=N3)N(C)C2=C1	REAL250004592934	0	34	-1.0	-37.78	292.59	2.07	-35.71
COC1=CC=C2C=C(C(=O)NCC3=NN=N[N-]3)N(C)C2=C1	REAL250004592934	1	34	-1.0	-37.77	292.65	2.09	-35.68
COCC1=NC=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004592935	0	29	-1.0	-48.86	263.31	-2.51	-51.37
COCC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004592935	1	29	-1.0	-48.86	263.37	-2.50	-51.36
NC(=O)CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL250004592936	0	34	-1.0	-43.56	300.76	-1.34	-44.90
NC(=O)CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL250004592936	1	34	-1.0	-43.58	300.70	-1.35	-44.93
CN1N=C(C(=O)NCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004592937	0	26	-1.0	-36.97	252.99	-0.20	-37.17
CN1N=C(C(=O)NCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004592937	1	26	-1.0	-36.99	252.93	-0.22	-37.21
O=C(NCC1=NN=N[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250004592938	0	27	-1.0	-39.06	256.65	0.62	-38.44
O=C(NCC1=N[N-]N=N1)C1=CN(C2CC2(F)F)N=C1	REAL250004592938	1	27	-1.0	-39.10	256.59	0.60	-38.50
CN1N=NC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C21	REAL250004592939	0	28	-1.0	-37.83	250.35	-0.49	-38.32
CN1N=NC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C21	REAL250004592939	1	28	-1.0	-37.83	250.30	-0.50	-38.33
CC1=CC=C(C)C(C(C(=O)NCC2=N[N-]N=N2)C(C)C)=C1	REAL250004592940	0	41	-1.0	-36.95	329.53	4.70	-32.25
CC1=CC=C(C)C(C(C(=O)NCC2=NN=N[N-]2)C(C)C)=C1	REAL250004592940	1	41	-1.0	-36.93	329.59	4.72	-32.21
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2CCOC2)S1	REAL250004592941	0	30	-1.0	-37.71	275.90	-0.71	-38.42
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2CCOC2)S1	REAL250004592941	1	30	-1.0	-37.72	275.96	-0.70	-38.42
COC1=CN(C)C(C(=O)NCC2=N[N-]N=N2)=CC1=O	REAL250004592942	0	30	-1.0	-46.18	261.49	0.47	-45.71
COC1=CN(C)C(C(=O)NCC2=NN=N[N-]2)=CC1=O	REAL250004592942	1	30	-1.0	-46.18	261.55	0.48	-45.70
O=C(NCC1=N[N-]N=N1)C1=COC2=C1C(=O)NCC2	REAL250004592943	0	28	-1.0	-51.57	251.54	-0.74	-52.31
O=C(NCC1=NN=N[N-]1)C1=COC2=C1C(=O)NCC2	REAL250004592943	1	28	-1.0	-51.61	251.59	-0.72	-52.33
CN1C=CC(C2=CC(C(=O)NCC3=N[N-]N=N3)=NO2)=N1	REAL250004592944	0	29	-1.0	-41.71	275.16	0.04	-41.67
CN1C=CC(C2=CC(C(=O)NCC3=NN=N[N-]3)=NO2)=N1	REAL250004592944	1	29	-1.0	-41.71	275.22	0.06	-41.65
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COC(C(=O)NCC1=N[N-]N=N1)C1CCCOC1	REAL250004592946	0	34	-1.0	-38.32	280.05	-0.06	-38.38
COC(C(=O)NCC1=NN=N[N-]1)C1CCCOC1	REAL250004592946	1	34	-1.0	-38.31	280.11	-0.04	-38.35
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CN1C=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004592948	0	30	-1.0	-41.04	265.25	3.01	-38.03
CN1C=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004592948	1	30	-1.0	-41.03	265.19	3.00	-38.03
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O=C(NCC1=NN=N[N-]1)C1=C(F)C=C2OC=CC2=C1	REAL250004592949	1	26	-1.0	-39.26	243.48	1.68	-37.58
CC(=O)N[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592950	0	36	-1.0	-43.17	297.30	-0.17	-43.34
CC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592950	1	36	-1.0	-43.13	297.35	-0.17	-43.30
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004592951	0	33	-1.0	-36.85	285.51	3.95	-32.90
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004592951	1	33	-1.0	-36.84	285.56	3.96	-32.88
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=NN=N[N-]1	REAL250004592952	0	36	-1.0	-41.38	320.48	3.60	-37.78
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=N[N-]N=N1	REAL250004592952	1	36	-1.0	-41.33	320.43	3.58	-37.75
CC1=C(C)C2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2N=N1	REAL250004592953	0	33	-1.0	-38.82	283.73	1.59	-37.23
CC1=C(C)C2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2N=N1	REAL250004592953	1	33	-1.0	-38.81	283.79	1.61	-37.20
O=C(NCC1=N[N-]N=N1)C1CCCNS1(=O)=O	REAL250004592954	0	28	-1.0	-45.09	252.91	-4.70	-49.79
O=C(NCC1=NN=N[N-]1)C1CCCNS1(=O)=O	REAL250004592954	1	28	-1.0	-45.10	252.97	-4.68	-49.78
CC1OC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C1C	REAL250004592955	0	34	-1.0	-37.38	284.96	2.35	-35.03
CC1OC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C1C	REAL250004592955	1	34	-1.0	-37.35	285.02	2.37	-34.98
CN1C=C(C(F)(F)C(=O)NCC2=NN=N[N-]2)C=CC1=O	REAL250004592956	0	29	-1.0	-38.14	268.21	0.82	-37.32
CN1C=C(C(F)(F)C(=O)NCC2=N[N-]N=N2)C=CC1=O	REAL250004592956	1	29	-1.0	-38.16	268.15	0.80	-37.36
COC1=CC=C2C(CC(=O)NCC3=N[N-]N=N3)=CNC2=C1	REAL250004592957	0	34	-1.0	-41.33	297.52	1.27	-40.06
COC1=CC=C2C(CC(=O)NCC3=NN=N[N-]3)=CNC2=C1	REAL250004592957	1	34	-1.0	-41.35	297.58	1.28	-40.07
CN1C=CC2=CC=NC(C(=O)NCC3=NN=N[N-]3)=C21	REAL250004592958	0	29	-1.0	-42.38	260.20	0.78	-41.60
CN1C=CC2=CC=NC(C(=O)NCC3=N[N-]N=N3)=C21	REAL250004592958	1	29	-1.0	-42.40	260.14	0.77	-41.63
CC1=CC=CC=C1C(C(=O)NCC1=N[N-]N=N1)C1CCCC1	REAL250004592959	0	42	-1.0	-36.94	328.83	5.88	-31.06
CC1=CC=CC=C1C(C(=O)NCC1=NN=N[N-]1)C1CCCC1	REAL250004592959	1	42	-1.0	-36.93	328.88	5.90	-31.03
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O=C(CCC1=CC=C(Cl)N=C1)NCC1=NN=N[N-]1	REAL250004592962	0	28	-1.0	-37.33	269.35	1.39	-35.94
O=C(CCC1=CC=C(Cl)N=C1)NCC1=N[N-]N=N1	REAL250004592962	1	28	-1.0	-37.31	269.29	1.37	-35.94
CC(C)(C)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592963	0	34	-1.0	-36.39	283.11	1.77	-34.62
CC(C)(C)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592963	1	34	-1.0	-36.42	283.06	1.76	-34.66
O=C(C=C1CCCC(C(F)(F)F)C1)NCC1=N[N-]N=N1	REAL250004592964	0	33	-1.0	-35.63	284.26	2.97	-32.66
O=C(C=C1CCCC(C(F)(F)F)C1)NCC1=NN=N[N-]1	REAL250004592964	1	33	-1.0	-35.62	284.32	2.98	-32.64
O=C(C=C1C2CC3CC(C2)CC1C3)NCC1=N[N-]N=N1	REAL250004592965	0	38	-1.0	-36.82	287.98	3.78	-33.04
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CC(=CC(=O)NCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004592966	0	32	-1.0	-37.40	294.25	3.92	-33.48
CC(=CC(=O)NCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004592966	1	32	-1.0	-37.41	294.31	3.93	-33.48
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004592967	0	32	-1.0	-37.97	286.91	3.68	-34.29
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004592967	1	32	-1.0	-37.98	286.97	3.69	-34.29
CCCCCCCCCC=CC(=O)NCC1=N[N-]N=N1	REAL250004592968	0	44	-1.0	-35.97	361.33	5.77	-30.20
CCCCCCCCCC=CC(=O)NCC1=NN=N[N-]1	REAL250004592968	1	44	-1.0	-36.00	361.38	5.78	-30.22
CC1=CC(Br)=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004592969	0	25	-1.0	-36.42	246.21	0.82	-35.60
CC1=CC(Br)=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004592969	1	25	-1.0	-36.38	246.16	0.80	-35.58
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004592970	0	32	-1.0	-35.62	290.85	3.46	-32.16
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004592970	1	32	-1.0	-35.59	290.91	3.47	-32.12
O=C(NCC1=N[N-]N=N1)C1CCCC12CCOCC2	REAL250004592971	0	37	-1.0	-38.12	282.37	1.19	-36.93
O=C(NCC1=NN=N[N-]1)C1CCCC12CCOCC2	REAL250004592971	1	37	-1.0	-38.10	282.42	1.20	-36.90
O=C(NCC1=NN=N[N-]1)C1=CC2=NC=CC=C2N=C1	REAL250004592972	0	27	-1.0	-40.00	247.94	-0.25	-40.25
O=C(NCC1=N[N-]N=N1)C1=CC2=NC=CC=C2N=C1	REAL250004592972	1	27	-1.0	-39.98	247.88	-0.26	-40.24
O=C(NCC1=NN=N[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004592973	0	31	-1.0	-48.05	284.90	-0.43	-48.48
O=C(NCC1=N[N-]N=N1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004592973	1	31	-1.0	-48.03	284.85	-0.44	-48.47
O=C(NCC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004592974	0	28	-1.0	-43.57	270.43	0.80	-42.77
O=C(NCC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004592974	1	28	-1.0	-43.59	270.48	0.81	-42.78
CC1(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004592975	0	33	-1.0	-38.36	289.38	3.86	-34.50
CC1(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004592975	1	33	-1.0	-38.35	289.44	3.87	-34.48
O=C(CC1=CC2=CC=CN=C2C=C1)NCC1=NN=N[N-]1	REAL250004592976	0	31	-1.0	-40.95	277.37	2.30	-38.65
O=C(CC1=CC2=CC=CN=C2C=C1)NCC1=N[N-]N=N1	REAL250004592976	1	31	-1.0	-40.93	277.31	2.29	-38.64
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2CCC2)NC1=O	REAL250004592977	0	32	-1.0	-46.47	277.23	0.39	-46.08
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2CCC2)NC1=O	REAL250004592977	1	32	-1.0	-46.48	277.29	0.41	-46.07
CN1N=C(C2CCC2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004592978	0	33	-1.0	-34.99	279.22	1.51	-33.48
CN1N=C(C2CCC2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004592978	1	33	-1.0	-35.00	279.27	1.52	-33.48
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004592979	0	23	-1.0	-34.17	257.86	2.34	-31.83
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004592979	1	23	-1.0	-34.18	257.92	2.36	-31.82
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004592980	0	32	-1.0	-36.92	282.26	2.35	-34.57
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004592980	1	32	-1.0	-36.94	282.32	2.37	-34.57
COC(=O)C1CC2(CC(C(=O)NCC3=N[N-]N=N3)C2)C1	REAL250004592981	0	36	-1.0	-38.67	306.54	2.73	-35.94
COC(=O)C1CC2(CC(C(=O)NCC3=NN=N[N-]3)C2)C1	REAL250004592981	1	36	-1.0	-38.67	306.60	2.74	-35.93
CC(=O)NC1=CN=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592982	0	32	-1.0	-45.40	278.82	-0.96	-46.36
CC(=O)NC1=CN=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592982	1	32	-1.0	-45.40	278.87	-0.94	-46.34
O=C(NCC1=N[N-]N=N1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL250004592983	0	30	-1.0	-36.42	269.18	3.27	-33.15
O=C(NCC1=NN=N[N-]1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL250004592983	1	30	-1.0	-36.42	269.24	3.28	-33.14
CC1CCCN2C(CC(=O)NCC3=N[N-]N=N3)=CN=C12	REAL250004592984	0	36	-1.0	-42.20	299.41	2.47	-39.73
CC1CCCN2C(CC(=O)NCC3=NN=N[N-]3)=CN=C12	REAL250004592984	1	36	-1.0	-42.20	299.46	2.49	-39.71
CC1=CC(C)=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CN21	REAL250004592985	0	32	-1.0	-50.93	282.13	3.10	-47.83
CC1=CC(C)=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CN21	REAL250004592985	1	32	-1.0	-50.95	282.08	3.09	-47.86
CC(C)C1=C(C(=O)NCC2=NN=N[N-]2)N=C(Cl)S1	REAL250004592986	0	28	-1.0	-38.25	273.77	0.91	-37.34
CC(C)C1=C(C(=O)NCC2=N[N-]N=N2)N=C(Cl)S1	REAL250004592986	1	28	-1.0	-38.24	273.71	0.90	-37.34
O=C(CSCCC(F)(F)F)NCC1=N[N-]N=N1	REAL250004592987	0	26	-1.0	-36.65	260.33	1.45	-35.20
O=C(CSCCC(F)(F)F)NCC1=NN=N[N-]1	REAL250004592987	1	26	-1.0	-36.61	260.39	1.47	-35.14
CC(CCNC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004592988	0	42	-1.0	-38.50	340.36	0.01	-38.49
CC(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004592988	1	42	-1.0	-38.49	340.41	0.02	-38.47
NC1=NN2C=CC=CC2=C1C(=O)NCC1=NN=N[N-]1	REAL250004592989	0	28	-1.0	-43.48	258.51	-0.18	-43.66
NC1=NN2C=CC=CC2=C1C(=O)NCC1=N[N-]N=N1	REAL250004592989	1	28	-1.0	-43.48	258.46	-0.19	-43.67
C[C@H](C(=O)NCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004592990	0	39	-1.0	-38.37	314.50	1.24	-37.13
C[C@H](C(=O)NCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004592990	1	39	-1.0	-38.38	314.56	1.26	-37.12
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL250004592991	0	32	-1.0	-57.28	285.41	1.60	-55.68
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL250004592991	1	32	-1.0	-57.30	285.47	1.62	-55.68
CN1N=NC2=C1C(C(=O)NCC1=N[N-]N=N1)CCC2	REAL250004592992	0	32	-1.0	-39.00	268.08	-0.43	-39.43
CN1N=NC2=C1C(C(=O)NCC1=NN=N[N-]1)CCC2	REAL250004592992	1	32	-1.0	-39.00	268.14	-0.42	-39.42
O=C(NCC1=NN=N[N-]1)C1=NC(Br)=CS1	REAL250004592993	0	19	-1.0	-37.26	221.33	-1.13	-38.39
O=C(NCC1=N[N-]N=N1)C1=NC(Br)=CS1	REAL250004592993	1	19	-1.0	-37.24	221.27	-1.14	-38.38
CN1C=CN=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004592994	0	26	-1.0	-41.25	245.04	0.90	-40.35
CN1C=CN=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004592994	1	26	-1.0	-41.21	244.98	0.88	-40.33
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592995	0	40	-1.0	-44.45	327.63	1.65	-42.80
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592995	1	40	-1.0	-44.39	327.69	1.67	-42.72
CC(C)(OCC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL250004592996	0	29	-1.0	-39.43	262.05	0.88	-38.55
CC(C)(OCC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004592996	1	29	-1.0	-39.43	262.11	0.90	-38.53
O=C(NCC1=N[N-]N=N1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250004592997	0	29	-1.0	-35.86	256.93	1.74	-34.12
O=C(NCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250004592997	1	29	-1.0	-35.79	256.98	1.75	-34.04
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004592998	0	31	-1.0	-38.95	274.80	1.92	-37.03
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CC(C(=O)NCC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004593095	0	35	-1.0	-37.49	298.69	4.00	-33.49
CC(C(=O)NCC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004593095	1	35	-1.0	-37.49	298.75	4.01	-33.48
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COC1=CC=C(C(C)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004593154	0	33	-1.0	-40.74	287.82	1.84	-38.90
COC1=CC=C(C(C)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004593154	1	33	-1.0	-40.72	287.89	1.85	-38.87
COC(C(=O)NCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004593155	0	30	-1.0	-38.56	262.18	1.12	-37.44
COC(C(=O)NCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004593155	1	30	-1.0	-38.53	262.24	1.14	-37.39
CC(C)C(C(=O)NCC1=N[N-]N=N1)C1=NNC=N1	REAL250004593156	0	31	-1.0	-41.84	262.70	0.63	-41.21
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CC(C)(C)C1(C)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593157	0	38	-1.0	-35.58	289.83	2.69	-32.89
CC(C)(C)C1(C)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593157	1	38	-1.0	-35.61	289.89	2.70	-32.91
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CN1CCC2=CC(CC(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004593160	1	35	-1.0	-38.70	297.02	1.79	-36.91
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O=C(NCC1=N[N-]N=N1)C1=CC=C2CCOCC2=C1	REAL250004593172	0	31	-1.0	-37.72	265.29	1.32	-36.40
O=C(NCC1=NN=N[N-]1)C1=CC=C2CCOCC2=C1	REAL250004593172	1	31	-1.0	-37.71	265.34	1.33	-36.38
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004593173	0	28	-1.0	-37.38	270.86	2.86	-34.52
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004593173	1	28	-1.0	-37.38	270.92	2.87	-34.51
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C2C(=O)CCCC2=N1	REAL250004593174	0	34	-1.0	-45.03	291.66	2.94	-42.09
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C2C(=O)CCCC2=N1	REAL250004593174	1	34	-1.0	-45.01	291.71	2.96	-42.05
NC1=NC(C(F)(F)C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593175	0	24	-1.0	-38.95	245.04	-1.35	-40.30
NC1=NC(C(F)(F)C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593175	1	24	-1.0	-38.94	244.99	-1.37	-40.31
CCOCC1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593176	0	29	-1.0	-41.42	276.27	-1.03	-42.45
CCOCC1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593176	1	29	-1.0	-41.43	276.32	-1.02	-42.45
CC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004593177	0	33	-1.0	-44.63	284.73	-1.66	-46.29
CC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004593177	1	33	-1.0	-44.64	284.78	-1.64	-46.28
CC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004593178	0	28	-1.0	-42.32	256.61	1.72	-40.60
CC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004593178	1	28	-1.0	-42.32	256.67	1.74	-40.58
CC1=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL250004593179	0	30	-1.0	-34.97	282.82	2.31	-32.66
CC1=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL250004593179	1	30	-1.0	-34.94	282.88	2.33	-32.61
O=C(NCC1=N[N-]N=N1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004593180	0	33	-1.0	-37.82	281.45	4.00	-33.82
O=C(NCC1=NN=N[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004593180	1	33	-1.0	-37.79	281.51	4.02	-33.77
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=C(F)C(F)=C1	REAL250004593181	0	27	-1.0	-36.68	256.48	0.11	-36.57
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=C(F)C(F)=C1	REAL250004593181	1	27	-1.0	-36.69	256.54	0.13	-36.56
NC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1CCO	REAL250004593182	0	29	-1.0	-39.02	259.93	-4.49	-43.51
NC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1CCO	REAL250004593182	1	29	-1.0	-39.03	259.88	-4.51	-43.54
NC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004593183	0	27	-1.0	-39.98	258.53	-1.46	-41.44
NC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004593183	1	27	-1.0	-39.99	258.59	-1.45	-41.44
O=C(C=CC1=NC2=CC=CC=C2N=C1)NCC1=N[N-]N=N1	REAL250004593184	0	31	-1.0	-40.66	284.89	1.14	-39.52
O=C(C=CC1=NC2=CC=CC=C2N=C1)NCC1=NN=N[N-]1	REAL250004593184	1	31	-1.0	-40.65	284.95	1.15	-39.50
CN1C=C(C=CC(=O)NCC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004593185	0	33	-1.0	-49.77	291.94	0.80	-48.97
CN1C=C(C=CC(=O)NCC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004593185	1	33	-1.0	-49.73	291.99	0.81	-48.92
CCN1C=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593186	0	26	-1.0	-42.23	253.67	0.41	-41.82
CCN1C=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593186	1	26	-1.0	-42.22	253.61	0.40	-41.82
CN1N=CC=C1C1=NNC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593187	0	30	-1.0	-41.91	274.65	-1.10	-43.01
CN1N=CC=C1C1=NNC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593187	1	30	-1.0	-41.95	274.59	-1.11	-43.06
COC1=NSC(C=CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004593188	0	27	-1.0	-36.43	265.97	-1.53	-37.96
COC1=NSC(C=CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004593188	1	27	-1.0	-36.44	266.03	-1.52	-37.96
COC1(C(F)(F)C(=O)NCC2=NN=N[N-]2)CCC1	REAL250004593189	0	30	-1.0	-35.21	257.58	1.14	-34.07
COC1(C(F)(F)C(=O)NCC2=N[N-]N=N2)CCC1	REAL250004593189	1	30	-1.0	-35.22	257.53	1.12	-34.10
CCC(C(=O)NCC1=N[N-]N=N1)C1CCOCC1	REAL250004593190	0	36	-1.0	-37.01	275.96	0.94	-36.07
CCC(C(=O)NCC1=NN=N[N-]1)C1CCOCC1	REAL250004593190	1	36	-1.0	-37.01	276.01	0.95	-36.06
O=C(NCC1=N[N-]N=N1)C1=CSC(CC(F)(F)F)=N1	REAL250004593191	0	25	-1.0	-41.27	261.24	0.10	-41.17
O=C(NCC1=NN=N[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL250004593191	1	25	-1.0	-41.28	261.30	0.11	-41.17
O=C(CCC1CCC(=O)NC1)NCC1=N[N-]N=N1	REAL250004593192	0	33	-1.0	-40.64	275.65	-1.09	-41.73
O=C(CCC1CCC(=O)NC1)NCC1=NN=N[N-]1	REAL250004593192	1	33	-1.0	-40.64	275.71	-1.08	-41.72
O=C(NCC1=N[N-]N=N1)C1=COC2=C(F)C=C(F)C=C12	REAL250004593193	0	26	-1.0	-36.21	253.07	1.71	-34.50
O=C(NCC1=NN=N[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL250004593193	1	26	-1.0	-36.24	253.13	1.72	-34.52
CCC1=CC=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)N=C21	REAL250004593194	0	34	-1.0	-42.05	296.81	3.26	-38.79
CCC1=CC=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)N=C21	REAL250004593194	1	34	-1.0	-42.08	296.75	3.25	-38.83
CC1(C(=O)NCC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL250004593195	0	32	-1.0	-41.08	266.71	-1.83	-42.91
CC1(C(=O)NCC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL250004593195	1	32	-1.0	-41.12	266.77	-1.82	-42.94
CC(F)(F)C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593196	0	29	-1.0	-44.53	253.69	2.71	-41.82
CC(F)(F)C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593196	1	29	-1.0	-44.54	253.74	2.73	-41.81
O=C(NCC1=N[N-]N=N1)C1(F)CCC(F)(F)CC1	REAL250004593197	0	29	-1.0	-34.34	254.15	1.54	-32.80
O=C(NCC1=NN=N[N-]1)C1(F)CCC(F)(F)CC1	REAL250004593197	1	29	-1.0	-34.31	254.20	1.56	-32.75
CC1(C)CC(C(=O)NCC2=N[N-]N=N2)C1C(F)(F)F	REAL250004593198	0	32	-1.0	-35.47	274.60	2.08	-33.39
CC1(C)CC(C(=O)NCC2=NN=N[N-]2)C1C(F)(F)F	REAL250004593198	1	32	-1.0	-35.50	274.66	2.09	-33.41
CC1(C(=O)NCC2=N[N-]N=N2)CC2=CC=CC=C2NC1=O	REAL250004593199	0	34	-1.0	-39.58	289.39	0.76	-38.82
CC1(C(=O)NCC2=NN=N[N-]2)CC2=CC=CC=C2NC1=O	REAL250004593199	1	34	-1.0	-39.57	289.44	0.77	-38.80
O=C(NCC1=N[N-]N=N1)C12CCCC1CC(=O)CC2	REAL250004593200	0	35	-1.0	-36.67	269.86	2.28	-34.39
O=C(NCC1=NN=N[N-]1)C12CCCC1CC(=O)CC2	REAL250004593200	1	35	-1.0	-36.71	269.92	2.30	-34.41
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCNC2=O	REAL250004593201	0	31	-1.0	-41.22	271.11	-0.30	-41.52
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL250004593201	1	31	-1.0	-41.21	271.17	-0.28	-41.49
CC(C)N1CC(C(=O)NCC2=N[N-]N=N2)CCC1=O	REAL250004593202	0	36	-1.0	-36.34	288.79	1.01	-35.33
CC(C)N1CC(C(=O)NCC2=NN=N[N-]2)CCC1=O	REAL250004593202	1	36	-1.0	-36.33	288.85	1.03	-35.30
O=C(NCC1=N[N-]N=N1)C1=CC=C2CNC(=O)C2=C1	REAL250004593203	0	28	-1.0	-45.72	253.76	-1.27	-46.99
O=C(NCC1=NN=N[N-]1)C1=CC=C2CNC(=O)C2=C1	REAL250004593203	1	28	-1.0	-45.73	253.82	-1.26	-46.99
CCOC(=O)C1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593204	0	28	-1.0	-44.19	278.01	-0.04	-44.23
CCOC(=O)C1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593204	1	28	-1.0	-44.19	277.96	-0.05	-44.24
C[C@@H](CC(=O)NCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004593205	0	35	-1.0	-38.43	297.06	1.82	-36.61
C[C@@H](CC(=O)NCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004593205	1	35	-1.0	-38.44	297.11	1.83	-36.61
O=C(CC1CCCC2(CCC2)O1)NCC1=N[N-]N=N1	REAL250004593206	0	37	-1.0	-39.36	296.08	2.72	-36.64
O=C(CC1CCCC2(CCC2)O1)NCC1=NN=N[N-]1	REAL250004593206	1	37	-1.0	-39.39	296.14	2.74	-36.65
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CCCCO1	REAL250004593207	0	30	-1.0	-34.57	260.26	0.42	-34.15
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CCCCO1	REAL250004593207	1	30	-1.0	-34.59	260.32	0.44	-34.15
O=C(NCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004593208	0	34	-1.0	-35.70	296.00	2.20	-33.50
O=C(NCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004593208	1	34	-1.0	-35.71	296.05	2.21	-33.50
CC1=NN(C(C)C)C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593209	0	35	-1.0	-39.40	301.40	1.52	-37.88
CC1=NN(C(C)C)C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593209	1	35	-1.0	-39.43	301.46	1.54	-37.89
O=C(NCC1=N[N-]N=N1)C1=CON=C1C1CCCO1	REAL250004593210	0	30	-1.0	-37.64	265.72	-0.50	-38.14
O=C(NCC1=NN=N[N-]1)C1=CON=C1C1CCCO1	REAL250004593210	1	30	-1.0	-37.63	265.78	-0.48	-38.11
O=C(NCC1=N[N-]N=N1)C1CNC(=O)CC12CCC2	REAL250004593211	0	34	-1.0	-40.95	274.08	-0.80	-41.75
O=C(NCC1=NN=N[N-]1)C1CNC(=O)CC12CCC2	REAL250004593211	1	34	-1.0	-40.94	274.13	-0.78	-41.72
COC1C[C@@H]2CC(C(=O)NCC3=N[N-]N=N3)C[C@H]12	REAL250004593212	0	34	-1.0	-38.33	273.59	1.42	-36.91
COC1C[C@@H]2CC(C(=O)NCC3=NN=N[N-]3)C[C@H]12	REAL250004593212	1	34	-1.0	-38.35	273.64	1.43	-36.92
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C2O1	REAL250004593213	0	29	-1.0	-40.37	258.66	2.40	-37.97
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C2O1	REAL250004593213	1	29	-1.0	-40.37	258.60	2.39	-37.98
CC1(C)C2CCC1(CC(=O)NCC1=N[N-]N=N1)CC2	REAL250004593214	0	39	-1.0	-35.63	290.73	3.25	-32.38
CC1(C)C2CCC1(CC(=O)NCC1=NN=N[N-]1)CC2	REAL250004593214	1	39	-1.0	-35.62	290.79	3.26	-32.36
O=C(CN1C=C(C2CCOC2)C=N1)NCC1=NN=N[N-]1	REAL250004593215	0	34	-1.0	-42.38	293.43	0.05	-42.33
O=C(CN1C=C(C2CCOC2)C=N1)NCC1=N[N-]N=N1	REAL250004593215	1	34	-1.0	-42.38	293.38	0.03	-42.35
CCC1=CC2=C(OCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593216	0	34	-1.0	-42.57	289.39	3.43	-39.14
CCC1=CC2=C(OCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593216	1	34	-1.0	-42.54	289.44	3.44	-39.10
O=C(NCC1=NN=N[N-]1)C1=C2C=CSC2=CC=C1	REAL250004593217	0	26	-1.0	-37.94	244.26	2.58	-35.36
O=C(NCC1=N[N-]N=N1)C1=C2C=CSC2=CC=C1	REAL250004593217	1	26	-1.0	-37.96	244.20	2.56	-35.40
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CS1	REAL250004593218	0	23	-1.0	-34.98	243.57	1.27	-33.71
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CS1	REAL250004593218	1	23	-1.0	-34.91	243.62	1.28	-33.63
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593219	0	30	-1.0	-40.88	276.07	-5.60	-46.48
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593219	1	30	-1.0	-40.89	276.13	-5.58	-46.47
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OCC2CC2)=C1	REAL250004593220	0	34	-1.0	-38.47	294.57	3.05	-35.42
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL250004593220	1	34	-1.0	-38.48	294.63	3.06	-35.42
CSC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL250004593221	0	27	-1.0	-36.73	264.12	2.77	-33.96
CSC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL250004593221	1	27	-1.0	-36.77	264.18	2.78	-33.99
CC(F)(F)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593222	0	29	-1.0	-37.50	264.75	2.76	-34.74
CC(F)(F)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593222	1	29	-1.0	-37.49	264.81	2.78	-34.71
O=C(NCC1=NN=N[N-]1)C1=CC=C2C=CSC2=C1	REAL250004593223	0	26	-1.0	-37.56	248.50	2.63	-34.93
O=C(NCC1=N[N-]N=N1)C1=CC=C2C=CSC2=C1	REAL250004593223	1	26	-1.0	-37.58	248.44	2.61	-34.97
CN1C=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL250004593224	0	33	-1.0	-42.67	297.68	0.16	-42.51
CN1C=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL250004593224	1	33	-1.0	-42.67	297.74	0.18	-42.49
CC1=NC=C2CC(C(=O)NCC3=N[N-]N=N3)CCC2=N1	REAL250004593225	0	34	-1.0	-36.91	287.24	1.55	-35.36
CC1=NC=C2CC(C(=O)NCC3=NN=N[N-]3)CCC2=N1	REAL250004593225	1	34	-1.0	-36.92	287.30	1.56	-35.36
CC1=C(CC(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004593226	0	29	-1.0	-38.94	276.88	1.68	-37.26
CC1=C(CC(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004593226	1	29	-1.0	-38.93	276.94	1.70	-37.23
CCC1=NC=C2CC(C(=O)NCC3=N[N-]N=N3)CCC2=N1	REAL250004593227	0	37	-1.0	-36.88	308.80	2.17	-34.71
CCC1=NC=C2CC(C(=O)NCC3=NN=N[N-]3)CCC2=N1	REAL250004593227	1	37	-1.0	-36.86	308.86	2.18	-34.68
O=C(NCC1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL250004593228	0	27	-1.0	-35.58	254.43	1.97	-33.61
O=C(NCC1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL250004593228	1	27	-1.0	-35.51	254.38	1.96	-33.55
CC1=CN(CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)N=C1	REAL250004593229	0	36	-1.0	-41.42	317.27	3.59	-37.83
CC1=CN(CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)N=C1	REAL250004593229	1	36	-1.0	-41.42	317.22	3.57	-37.85
O=C(NCC1=N[N-]N=N1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004593230	0	37	-1.0	-35.61	291.01	3.45	-32.16
O=C(NCC1=NN=N[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004593230	1	37	-1.0	-35.64	291.05	3.47	-32.17
O=C(NCC1=N[N-]N=N1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004593231	0	37	-1.0	-38.09	300.27	4.03	-34.06
O=C(NCC1=NN=N[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004593231	1	37	-1.0	-38.06	300.33	4.04	-34.02
CC1(C(=O)NCC2=N[N-]N=N2)CCCNS1(=O)=O	REAL250004593232	0	31	-1.0	-42.49	262.97	-3.59	-46.08
CC1(C(=O)NCC2=NN=N[N-]2)CCCNS1(=O)=O	REAL250004593232	1	31	-1.0	-42.50	263.03	-3.58	-46.08
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593233	0	37	-1.0	-43.91	306.24	2.63	-41.28
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593233	1	37	-1.0	-43.96	306.18	2.61	-41.35
O=C(CCC=CBr)NCC1=N[N-]N=N1	REAL250004593234	0	23	-1.0	-35.06	231.96	0.98	-34.08
O=C(CCC=CBr)NCC1=NN=N[N-]1	REAL250004593234	1	23	-1.0	-35.06	232.01	1.00	-34.06
CC1=CC(F)=CC(C(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593235	0	32	-1.0	-38.03	279.93	3.20	-34.83
CC1=CC(F)=CC(C(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593235	1	32	-1.0	-38.00	279.99	3.22	-34.78
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=N[N-]N=N1	REAL250004593236	0	32	-1.0	-36.90	285.03	3.31	-33.59
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=NN=N[N-]1	REAL250004593236	1	32	-1.0	-36.89	285.09	3.32	-33.57
O=C(COC1=CC=CC=C1C(F)F)NCC1=N[N-]N=N1	REAL250004593237	0	30	-1.0	-41.06	275.07	2.80	-38.26
O=C(COC1=CC=CC=C1C(F)F)NCC1=NN=N[N-]1	REAL250004593237	1	30	-1.0	-41.05	275.13	2.81	-38.24
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004593238	0	30	-1.0	-41.00	271.40	3.45	-37.55
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004593238	1	30	-1.0	-41.01	271.46	3.46	-37.55
CC1=NC(C2CC2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593239	0	31	-1.0	-34.97	270.35	1.56	-33.41
CC1=NC(C2CC2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593239	1	31	-1.0	-34.99	270.41	1.57	-33.42
CC1=NN=C(CCC(=O)NCC2=N[N-]N=N2)N1C	REAL250004593240	0	31	-1.0	-43.30	272.99	1.57	-41.73
CC1=NN=C(CCC(=O)NCC2=NN=N[N-]2)N1C	REAL250004593240	1	31	-1.0	-43.32	273.04	1.58	-41.74
O=C(NCC1=N[N-]N=N1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004593241	0	34	-1.0	-36.97	266.79	0.60	-36.37
O=C(NCC1=NN=N[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004593241	1	34	-1.0	-37.00	266.84	0.62	-36.38
O=C(NCC1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL250004593242	0	31	-1.0	-36.45	259.26	2.51	-33.94
O=C(NCC1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL250004593242	1	31	-1.0	-36.42	259.32	2.53	-33.89
O=C(NCC1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL250004593243	0	33	-1.0	-37.71	287.90	2.04	-35.67
O=C(NCC1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL250004593243	1	33	-1.0	-37.68	287.85	2.03	-35.65
O=C(NCC1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL250004593244	0	38	-1.0	-38.17	296.11	0.53	-37.64
O=C(NCC1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL250004593244	1	38	-1.0	-38.14	296.17	0.54	-37.60
O=C(NCC1=NN=N[N-]1)C1=CC=NC2=NC=CN=C12	REAL250004593245	0	26	-1.0	-44.32	241.00	-0.84	-45.16
O=C(NCC1=N[N-]N=N1)C1=CC=NC2=NC=CN=C12	REAL250004593245	1	26	-1.0	-44.30	240.94	-0.85	-45.15
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCC1=N[N-]N=N1	REAL250004593246	0	26	-1.0	-38.77	266.18	2.35	-36.42
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCC1=NN=N[N-]1	REAL250004593246	1	26	-1.0	-38.74	266.24	2.36	-36.38
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004593247	0	34	-1.0	-38.06	294.77	3.91	-34.15
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004593247	1	34	-1.0	-38.04	294.83	3.92	-34.12
O=C(NCC1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004593248	0	29	-1.0	-47.78	272.92	-5.64	-53.42
O=C(NCC1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004593248	1	29	-1.0	-47.82	272.86	-5.66	-53.48
O=C(NCC1=N[N-]N=N1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004593249	0	30	-1.0	-37.61	253.92	2.22	-35.39
O=C(NCC1=NN=N[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004593249	1	30	-1.0	-37.61	253.98	2.23	-35.38
CC1=NN(C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593250	0	33	-1.0	-48.17	289.90	3.26	-44.91
CC1=NN(C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593250	1	33	-1.0	-48.19	289.84	3.24	-44.95
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCC1=NN=N[N-]1	REAL250004593251	0	37	-1.0	-40.21	298.88	2.23	-37.98
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCC1=N[N-]N=N1	REAL250004593251	1	37	-1.0	-40.18	298.82	2.21	-37.97
CC12CC(C(=O)NCC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL250004593252	0	35	-1.0	-34.55	283.22	1.29	-33.26
CC12CC(C(=O)NCC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL250004593252	1	35	-1.0	-34.55	283.28	1.31	-33.24
CC12CC(C(=O)NCC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL250004593253	0	39	-1.0	-36.07	304.66	-0.03	-36.10
CC12CC(C(=O)NCC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL250004593253	1	39	-1.0	-36.05	304.72	-0.01	-36.06
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL250004593254	0	31	-1.0	-41.68	273.34	-1.42	-43.10
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL250004593254	1	31	-1.0	-41.69	273.40	-1.41	-43.10
O=C(NCC1=NN=N[N-]1)C1=C2C=C(F)C=CC2=NN1	REAL250004593255	0	26	-1.0	-36.55	245.06	0.02	-36.53
O=C(NCC1=N[N-]N=N1)C1=C2C=C(F)C=CC2=NN1	REAL250004593255	1	26	-1.0	-36.58	245.00	-0.00	-36.58
O=C(NCC1=N[N-]N=N1)C1(C2CCOCC2)CCOCC1	REAL250004593256	0	41	-1.0	-39.26	301.09	0.58	-38.68
O=C(NCC1=NN=N[N-]1)C1(C2CCOCC2)CCOCC1	REAL250004593256	1	41	-1.0	-39.20	301.14	0.59	-38.61
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL250004593257	0	30	-1.0	-40.70	268.22	3.46	-37.24
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL250004593257	1	30	-1.0	-40.70	268.27	3.47	-37.23
O=C(NCC1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C=C1F	REAL250004593258	0	27	-1.0	-35.48	257.58	0.27	-35.21
O=C(NCC1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL250004593258	1	27	-1.0	-35.50	257.64	0.28	-35.22
O=C(NCC1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL250004593259	0	27	-1.0	-36.88	262.77	0.18	-36.70
O=C(NCC1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL250004593259	1	27	-1.0	-36.84	262.83	0.19	-36.65
CCC1=NN(C)C(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004593260	0	29	-1.0	-35.58	277.16	0.70	-34.88
CCC1=NN(C)C(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004593260	1	29	-1.0	-35.59	277.22	0.72	-34.87
O=C(CSC1=CC=CC(F)=C1)NCC1=N[N-]N=N1	REAL250004593261	0	27	-1.0	-37.07	261.12	2.45	-34.62
O=C(CSC1=CC=CC(F)=C1)NCC1=NN=N[N-]1	REAL250004593261	1	27	-1.0	-37.08	261.17	2.47	-34.61
O=C(NCC1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL250004593262	0	30	-1.0	-44.67	266.80	-0.65	-45.32
O=C(NCC1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL250004593262	1	30	-1.0	-44.64	266.75	-0.66	-45.30
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593263	0	34	-1.0	-35.76	297.15	1.78	-33.98
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593263	1	34	-1.0	-35.80	297.21	1.80	-34.00
CCC1=NC(C)=C(C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004593264	0	33	-1.0	-35.44	288.12	0.72	-34.72
CCC1=NC(C)=C(C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004593264	1	33	-1.0	-35.43	288.18	0.73	-34.70
CCC1=C(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004593265	0	29	-1.0	-39.57	280.51	1.82	-37.75
CCC1=C(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004593265	1	29	-1.0	-39.56	280.57	1.83	-37.73
O=C(NCC1=N[N-]N=N1)C1(C2CCCCO2)CC1	REAL250004593266	0	34	-1.0	-35.11	274.99	1.57	-33.54
O=C(NCC1=NN=N[N-]1)C1(C2CCCCO2)CC1	REAL250004593266	1	34	-1.0	-35.14	275.05	1.59	-33.55
O=C(NCC1=N[N-]N=N1)C1=CC(C2CC2)=NNC1=O	REAL250004593267	0	29	-1.0	-43.86	261.17	-0.70	-44.56
O=C(NCC1=NN=N[N-]1)C1=CC(C2CC2)=NNC1=O	REAL250004593267	1	29	-1.0	-43.86	261.23	-0.68	-44.54
CC1=CC(C)=C2NC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL250004593268	0	33	-1.0	-36.43	287.93	2.50	-33.93
CC1=CC(C)=C2NC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL250004593268	1	33	-1.0	-36.44	287.87	2.49	-33.95
CC1=NC2=C(NC(C(=O)NCC3=N[N-]N=N3)=C2)S1	REAL250004593269	0	26	-1.0	-37.47	252.26	-0.90	-38.37
CC1=NC2=C(NC(C(=O)NCC3=NN=N[N-]3)=C2)S1	REAL250004593269	1	26	-1.0	-37.46	252.32	-0.89	-38.35
CC1(C)OCC2=C(C(=O)NCC3=N[N-]N=N3)NN=C21	REAL250004593270	0	31	-1.0	-35.06	270.83	-1.68	-36.74
CC1(C)OCC2=C(C(=O)NCC3=NN=N[N-]3)NN=C21	REAL250004593270	1	31	-1.0	-35.08	270.89	-1.66	-36.74
O=C(NCC1=N[N-]N=N1)C1=CC(C2CCOCC2)=NN1	REAL250004593271	0	34	-1.0	-35.55	287.96	-0.93	-36.48
O=C(NCC1=NN=N[N-]1)C1=CC(C2CCOCC2)=NN1	REAL250004593271	1	34	-1.0	-35.55	288.02	-0.92	-36.47
O=C(NCC1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL250004593272	0	33	-1.0	-37.99	279.47	1.65	-36.34
O=C(NCC1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL250004593272	1	33	-1.0	-38.02	279.42	1.64	-36.38
CC(C)(C)OC(=O)C1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004593273	0	41	-1.0	-36.18	322.90	3.65	-32.53
CC(C)(C)OC(=O)C1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004593273	1	41	-1.0	-36.17	322.95	3.66	-32.51
O=C(NCC1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL250004593274	0	29	-1.0	-40.32	263.73	1.35	-38.97
O=C(NCC1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL250004593274	1	29	-1.0	-40.33	263.78	1.36	-38.97
O=C(CCN1C=CC2=CC=CN=C21)NCC1=NN=N[N-]1	REAL250004593275	0	32	-1.0	-40.52	285.37	3.11	-37.41
O=C(CCN1C=CC2=CC=CN=C21)NCC1=N[N-]N=N1	REAL250004593275	1	32	-1.0	-40.52	285.31	3.09	-37.43
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004593276	0	28	-1.0	-40.02	262.50	3.60	-36.42
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004593276	1	28	-1.0	-40.03	262.55	3.62	-36.41
CCCC1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593277	0	28	-1.0	-39.78	263.73	0.48	-39.30
CCCC1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593277	1	28	-1.0	-39.77	263.79	0.50	-39.27
CC1=NN(C)C(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004593278	0	26	-1.0	-35.63	255.68	-0.03	-35.66
CC1=NN(C)C(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004593278	1	26	-1.0	-35.62	255.74	-0.02	-35.64
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCC1=N[N-]N=N1	REAL250004593279	0	29	-1.0	-46.25	279.62	-1.03	-47.28
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCC1=NN=N[N-]1	REAL250004593279	1	29	-1.0	-46.26	279.68	-1.01	-47.27
COC1=CC=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=N1	REAL250004593280	0	30	-1.0	-38.06	272.22	-1.07	-39.13
COC1=CC=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=N1	REAL250004593280	1	30	-1.0	-38.03	272.27	-1.05	-39.08
COC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)S1	REAL250004593281	0	29	-1.0	-40.50	276.81	1.72	-38.78
COC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)S1	REAL250004593281	1	29	-1.0	-40.48	276.87	1.73	-38.75
O=C(NCC1=NN=N[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004593282	0	26	-1.0	-43.89	258.71	1.57	-42.32
O=C(NCC1=N[N-]N=N1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004593282	1	26	-1.0	-43.86	258.65	1.56	-42.30
COC1=CC=NC(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004593283	0	26	-1.0	-43.54	243.00	-1.05	-44.59
COC1=CC=NC(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004593283	1	26	-1.0	-43.56	242.94	-1.07	-44.63
O=C(CSC1=CC=CC(Cl)=C1)NCC1=N[N-]N=N1	REAL250004593284	0	27	-1.0	-36.60	271.44	2.90	-33.70
O=C(CSC1=CC=CC(Cl)=C1)NCC1=NN=N[N-]1	REAL250004593284	1	27	-1.0	-36.62	271.50	2.91	-33.71
COCC1=CN=C(OC)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593285	0	33	-1.0	-40.45	291.75	-1.08	-41.53
COCC1=CN=C(OC)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593285	1	33	-1.0	-40.48	291.69	-1.09	-41.57
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=N[N-]N=N1	REAL250004593286	0	36	-1.0	-37.14	311.77	4.59	-32.55
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=NN=N[N-]1	REAL250004593286	1	36	-1.0	-37.15	311.82	4.61	-32.54
COC1=CC=C(C(C)=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593287	0	34	-1.0	-36.90	295.51	2.56	-34.34
COC1=CC=C(C(C)=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593287	1	34	-1.0	-36.91	295.57	2.57	-34.34
CC1(C)OC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2O1	REAL250004593288	0	32	-1.0	-37.30	279.69	1.54	-35.76
CC1(C)OC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2O1	REAL250004593288	1	32	-1.0	-37.27	279.75	1.55	-35.72
COC1=CC2=C(OCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593289	0	32	-1.0	-41.40	275.99	1.30	-40.10
COC1=CC2=C(OCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593289	1	32	-1.0	-41.40	276.05	1.31	-40.09
CC1=CC(=O)N(CCC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593290	0	31	-1.0	-43.65	278.03	1.33	-42.32
CC1=CC(=O)N(CCC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593290	1	31	-1.0	-43.63	278.09	1.34	-42.29
O=C(NCC1=N[N-]N=N1)C1=C2OC=CC2=CC=C1Cl	REAL250004593291	0	26	-1.0	-42.90	258.77	1.89	-41.01
O=C(NCC1=NN=N[N-]1)C1=C2OC=CC2=CC=C1Cl	REAL250004593291	1	26	-1.0	-42.89	258.82	1.90	-40.99
CC1=CSC2=C(C(=O)NCC3=NN=N[N-]3)N=CN=C12	REAL250004593292	0	27	-1.0	-38.30	260.23	1.26	-37.04
CC1=CSC2=C(C(=O)NCC3=N[N-]N=N3)N=CN=C12	REAL250004593292	1	27	-1.0	-38.33	260.17	1.25	-37.08
O=C(CC1=NN=C2COCCN12)NCC1=N[N-]N=N1	REAL250004593293	0	30	-1.0	-44.38	265.23	-0.62	-45.00
O=C(CC1=NN=C2COCCN12)NCC1=NN=N[N-]1	REAL250004593293	1	30	-1.0	-44.42	265.28	-0.61	-45.03
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593294	0	25	-1.0	-33.13	253.34	0.53	-32.60
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593294	1	25	-1.0	-33.11	253.40	0.54	-32.57
NC1=CC=C(Br)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593295	0	25	-1.0	-35.96	243.21	0.07	-35.89
NC1=CC=C(Br)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593295	1	25	-1.0	-35.98	243.27	0.09	-35.89
NC1=CC=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593296	0	25	-1.0	-36.14	238.67	-0.04	-36.18
NC1=CC=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593296	1	25	-1.0	-36.10	238.73	-0.02	-36.12
NC1=C(Cl)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593297	0	25	-1.0	-34.82	236.67	0.02	-34.80
NC1=C(Cl)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593297	1	25	-1.0	-34.84	236.73	0.04	-34.80
NC1=C(C(=O)NCC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL250004593298	0	28	-1.0	-34.77	256.50	0.59	-34.18
NC1=C(C(=O)NCC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL250004593298	1	28	-1.0	-34.74	256.55	0.60	-34.14
NC1=CC(F)=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593299	0	25	-1.0	-34.69	234.60	-0.42	-35.11
NC1=CC(F)=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593299	1	25	-1.0	-34.70	234.65	-0.40	-35.10
NC1=C(Br)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593300	0	25	-1.0	-34.76	240.79	0.14	-34.62
NC1=C(Br)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593300	1	25	-1.0	-34.75	240.85	0.16	-34.59
NC1=C(C(=O)NCC2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL250004593301	0	25	-1.0	-32.83	250.87	0.49	-32.34
NC1=C(C(=O)NCC2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL250004593301	1	25	-1.0	-32.82	250.93	0.50	-32.32
CC1=CC=C(F)C(N)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593302	0	28	-1.0	-36.18	253.62	-0.39	-36.57
CC1=CC=C(F)C(N)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593302	1	28	-1.0	-36.21	253.68	-0.37	-36.58
CC1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004593303	0	28	-1.0	-36.55	245.51	0.29	-36.26
CC1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004593303	1	28	-1.0	-36.57	245.56	0.31	-36.26
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593304	0	28	-1.0	-36.72	260.93	0.46	-36.26
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593304	1	28	-1.0	-36.76	260.98	0.47	-36.29
CC1=CC(Cl)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004593305	0	28	-1.0	-35.96	255.82	0.73	-35.23
CC1=CC(Cl)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004593305	1	28	-1.0	-35.97	255.88	0.75	-35.22
CC1=CC(Cl)=C(N)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593306	0	28	-1.0	-34.57	258.06	0.69	-33.88
CC1=CC(Cl)=C(N)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593306	1	28	-1.0	-34.60	258.11	0.70	-33.90
NC1=CC(F)=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593307	0	25	-1.0	-34.14	244.46	0.03	-34.11
NC1=CC(F)=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593307	1	25	-1.0	-34.11	244.52	0.05	-34.06
CC1=C(F)C=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004593308	0	28	-1.0	-34.34	244.53	0.26	-34.08
CC1=C(F)C=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004593308	1	28	-1.0	-34.32	244.59	0.27	-34.05
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(N)=C1Cl	REAL250004593309	0	28	-1.0	-34.88	254.41	0.61	-34.27
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(N)=C1Cl	REAL250004593309	1	28	-1.0	-34.86	254.47	0.62	-34.24
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(N)C=C1F	REAL250004593310	0	28	-1.0	-34.19	248.58	0.17	-34.02
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(N)C=C1F	REAL250004593310	1	28	-1.0	-34.19	248.64	0.19	-34.00
NC1=C(Cl)C=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593311	0	25	-1.0	-33.45	243.03	0.09	-33.36
NC1=C(Cl)C=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593311	1	25	-1.0	-33.42	243.09	0.10	-33.32
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(N)=C1F	REAL250004593312	0	29	-1.0	-36.21	256.80	-1.13	-37.34
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(N)=C1F	REAL250004593312	1	29	-1.0	-36.27	256.86	-1.12	-37.39
COC1=C(F)C=C(C(=O)NCC2=N[N-]N=N2)C(N)=C1F	REAL250004593313	0	29	-1.0	-33.95	267.03	-0.96	-34.91
COC1=C(F)C=C(C(=O)NCC2=NN=N[N-]2)C(N)=C1F	REAL250004593313	1	29	-1.0	-33.97	267.09	-0.94	-34.91
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593314	0	25	-1.0	-34.06	253.81	0.42	-33.64
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593314	1	25	-1.0	-34.10	253.87	0.43	-33.67
NC1=C(C(=O)NCC2=N[N-]N=N2)C=CC(Cl)=C1F	REAL250004593315	0	25	-1.0	-32.97	242.96	0.05	-32.92
NC1=C(C(=O)NCC2=NN=N[N-]2)C=CC(Cl)=C1F	REAL250004593315	1	25	-1.0	-32.97	243.02	0.07	-32.90
CC1=C(F)C=CC(N)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593316	0	28	-1.0	-36.66	253.45	-0.45	-37.11
CC1=C(F)C=CC(N)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593316	1	28	-1.0	-36.65	253.51	-0.44	-37.09
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004593317	0	28	-1.0	-42.36	271.35	1.91	-40.45
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004593317	1	28	-1.0	-42.36	271.29	1.90	-40.46
CC(C)(C)OC1CC(CC(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004593318	0	45	-1.0	-38.07	349.38	3.26	-34.81
CC(C)(C)OC1CC(CC(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004593318	1	45	-1.0	-38.08	349.44	3.28	-34.80
O=C(NCC1=N[N-]N=N1)C1(CC2=NNN=C2)CCOCC1	REAL250004593319	0	36	-1.0	-38.96	291.10	-1.70	-40.66
O=C(NCC1=NN=N[N-]1)C1(CC2=NNN=C2)CCOCC1	REAL250004593319	1	36	-1.0	-38.95	291.16	-1.69	-40.64
O=C(NCC1=N[N-]N=N1)C1CC2=CC=CC=C2NC1=O	REAL250004593320	0	31	-1.0	-39.80	271.79	0.21	-39.59
O=C(NCC1=NN=N[N-]1)C1CC2=CC=CC=C2NC1=O	REAL250004593320	1	31	-1.0	-39.78	271.85	0.22	-39.56
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL250004593321	0	30	-1.0	-35.22	269.39	1.94	-33.28
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL250004593321	1	30	-1.0	-35.20	269.33	1.93	-33.27
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593322	0	30	-1.0	-36.63	271.45	3.13	-33.50
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593322	1	30	-1.0	-36.59	271.50	3.14	-33.45
O=C(C=CCOC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL250004593323	0	31	-1.0	-38.71	279.31	2.13	-36.58
O=C(C=CCOC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL250004593323	1	31	-1.0	-38.67	279.37	2.14	-36.53
O=C(NCC1=N[N-]N=N1)C1=C(CN2CCOCC2)C=CO1	REAL250004593324	0	36	-1.0	-39.25	303.93	-1.34	-40.59
O=C(NCC1=NN=N[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL250004593324	1	36	-1.0	-39.26	303.98	-1.33	-40.59
O=C(CC1CC(=O)NC(=O)C1)NCC1=N[N-]N=N1	REAL250004593325	0	29	-1.0	-43.17	255.22	-2.53	-45.70
O=C(CC1CC(=O)NC(=O)C1)NCC1=NN=N[N-]1	REAL250004593325	1	29	-1.0	-43.17	255.28	-2.51	-45.68
O=C(CC1=CC=CC(F)=C1O)NCC1=N[N-]N=N1	REAL250004593326	0	27	-1.0	-41.37	252.24	-0.79	-42.16
O=C(CC1=CC=CC(F)=C1O)NCC1=NN=N[N-]1	REAL250004593326	1	27	-1.0	-41.39	252.29	-0.78	-42.17
O=C(NCC1=N[N-]N=N1)C1CC2CC(O)CC(C2)C1	REAL250004593327	0	37	-1.0	-37.99	278.32	-0.00	-37.99
O=C(NCC1=NN=N[N-]1)C1CC2CC(O)CC(C2)C1	REAL250004593327	1	37	-1.0	-37.98	278.37	0.02	-37.96
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NN1	REAL250004593328	0	29	-1.0	-36.17	268.23	-0.50	-36.67
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NN1	REAL250004593328	1	29	-1.0	-36.16	268.29	-0.48	-36.64
CC1=CN2CC(C(=O)NCC3=N[N-]N=N3)CCC2=N1	REAL250004593329	0	33	-1.0	-37.09	278.16	1.97	-35.12
CC1=CN2CC(C(=O)NCC3=NN=N[N-]3)CCC2=N1	REAL250004593329	1	33	-1.0	-37.07	278.22	1.98	-35.09
O=C(NCC1=NN=N[N-]1)C1=CN2N=C(Cl)N=C2C=C1	REAL250004593330	0	25	-1.0	-35.61	250.54	1.47	-34.14
O=C(NCC1=N[N-]N=N1)C1=CN2N=C(Cl)N=C2C=C1	REAL250004593330	1	25	-1.0	-35.58	250.48	1.46	-34.12
NC1=C(Br)C=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593331	0	24	-1.0	-33.84	235.85	-1.68	-35.52
NC1=C(Br)C=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593331	1	24	-1.0	-33.81	235.91	-1.66	-35.47
O=C(CCN1CCCC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004593333	0	38	-1.0	-37.24	306.28	2.51	-34.73
O=C(CCN1CCCC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004593333	1	38	-1.0	-37.23	306.34	2.53	-34.70
CC1=NC=C2C=CC(C(=O)NCC3=NN=N[N-]3)=CN21	REAL250004593334	1	29	-1.0	-36.99	259.99	2.49	-34.50
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL250004593335	0	32	-1.0	-39.07	285.23	1.90	-37.17
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL250004593335	1	32	-1.0	-39.10	285.17	1.89	-37.21
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004593336	0	26	-1.0	-37.31	254.47	0.91	-36.40
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004593336	1	26	-1.0	-37.36	254.53	0.92	-36.44
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C(O)C=C2)CC1	REAL250004593337	0	31	-1.0	-39.50	273.63	0.08	-39.42
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C(O)C=C2)CC1	REAL250004593337	1	31	-1.0	-39.53	273.69	0.10	-39.43
CC1(C2=NOC=C2C(=O)NCC2=NN=N[N-]2)COC1	REAL250004593339	0	30	-1.0	-35.09	265.58	-0.91	-36.00
CC1(C2=NOC=C2C(=O)NCC2=N[N-]N=N2)COC1	REAL250004593339	1	30	-1.0	-35.04	265.52	-0.92	-35.96
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)O1	REAL250004593340	0	38	-1.0	-40.32	319.31	1.43	-38.89
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)O1	REAL250004593340	1	38	-1.0	-40.34	319.37	1.44	-38.90
CCN1CCOCC1CC(=O)NCC1=NN=N[N-]1	REAL250004593341	1	35	-1.0	-36.75	277.07	-2.14	-38.89
CCN1CCOCC1CC(=O)NCC1=N[N-]N=N1	REAL250004593341	1	35	-1.0	-36.72	277.01	-2.15	-38.87
CCOC(=O)CCC(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004593342	0	31	-1.0	-36.27	285.31	1.58	-34.69
CCOC(=O)CCC(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004593342	1	31	-1.0	-36.24	285.25	1.58	-34.66
COC1=CC(OC)=C(N)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593343	0	33	-1.0	-38.86	279.98	-1.85	-40.71
COC1=CC(OC)=C(N)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593343	1	33	-1.0	-38.88	280.04	-1.83	-40.71
COC(=O)C1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004593344	0	32	-1.0	-40.76	290.26	2.19	-38.57
COC(=O)C1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004593344	1	32	-1.0	-40.75	290.32	2.21	-38.54
C[C@H](C(=O)NCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004593345	0	32	-1.0	-37.71	278.15	1.13	-36.58
C[C@H](C(=O)NCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004593345	1	32	-1.0	-37.72	278.20	1.14	-36.58
CC1=CN(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)N=C1	REAL250004593346	0	33	-1.0	-43.95	291.88	3.12	-40.83
CC1=CN(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)N=C1	REAL250004593346	1	33	-1.0	-43.96	291.82	3.11	-40.85
CC(CC1=CC=C(F)C(F)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593347	0	32	-1.0	-36.43	285.65	3.32	-33.11
CC(CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593347	1	32	-1.0	-36.44	285.71	3.34	-33.10
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL250004593348	0	29	-1.0	-37.27	259.53	3.59	-33.68
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=CC(F)=CC=C21	REAL250004593348	1	29	-1.0	-37.29	259.47	3.57	-33.72
CN1C(Br)=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004593349	0	23	-1.0	-35.99	233.68	0.17	-35.82
CN1C(Br)=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004593349	1	23	-1.0	-36.03	233.62	0.16	-35.87
O=C(NCC1=NN=N[N-]1)C1=CC=NN1C1CC1(F)F	REAL250004593350	0	27	-1.0	-36.12	254.86	0.92	-35.20
O=C(NCC1=N[N-]N=N1)C1=CC=NN1C1CC1(F)F	REAL250004593350	1	27	-1.0	-36.09	254.80	0.91	-35.18
CC(C)(C)O[C@H]1C[C@@H](C(=O)NCC2=N[N-]N=N2)C1	REAL250004593351	0	36	-1.0	-37.86	293.50	1.33	-36.53
CC(C)(C)O[C@H]1C[C@@H](C(=O)NCC2=NN=N[N-]2)C1	REAL250004593351	1	36	-1.0	-37.84	293.56	1.34	-36.50
CCC1=CC=C2NC(C(=O)NCC3=NN=N[N-]3)=C(C)C2=C1	REAL250004593352	0	36	-1.0	-36.52	305.84	3.31	-33.21
CCC1=CC=C2NC(C(=O)NCC3=N[N-]N=N3)=C(C)C2=C1	REAL250004593352	1	36	-1.0	-36.50	305.78	3.30	-33.20
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL250004593353	0	36	-1.0	-37.21	298.68	2.98	-34.23
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL250004593353	1	36	-1.0	-37.20	298.62	2.97	-34.23
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL250004593354	0	39	-1.0	-36.29	322.96	3.77	-32.52
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL250004593354	1	39	-1.0	-36.29	323.01	3.78	-32.51
CC1=CC(CC2(C(=O)NCC3=N[N-]N=N3)CC2)=CC=C1F	REAL250004593355	0	36	-1.0	-38.80	315.22	4.51	-34.29
CC1=CC(CC2(C(=O)NCC3=NN=N[N-]3)CC2)=CC=C1F	REAL250004593355	1	36	-1.0	-38.75	315.28	4.52	-34.23
CC1=CC(F)=CC=C1CC1(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593356	0	36	-1.0	-39.78	305.38	4.53	-35.25
CC1=CC(F)=CC=C1CC1(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593356	1	36	-1.0	-39.74	305.44	4.54	-35.20
O=C(NCC1=N[N-]N=N1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004593357	0	36	-1.0	-37.47	296.57	4.14	-33.33
O=C(NCC1=NN=N[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004593357	1	36	-1.0	-37.43	296.63	4.15	-33.28
COC(=O)C1=NC=CC=C1CCC(=O)NCC1=NN=N[N-]1	REAL250004593358	0	34	-1.0	-43.18	299.35	1.35	-41.83
COC(=O)C1=NC=CC=C1CCC(=O)NCC1=N[N-]N=N1	REAL250004593358	1	34	-1.0	-43.15	299.29	1.33	-41.82
CNC(=O)C1=CN=CC(C=CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004593359	0	33	-1.0	-42.98	297.60	-1.07	-44.05
CNC(=O)C1=CN=CC(C=CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004593359	1	33	-1.0	-42.95	297.66	-1.06	-44.01
O=C(C=CC1=CC=NC(Cl)=C1)NCC1=N[N-]N=N1	REAL250004593360	0	26	-1.0	-37.19	258.02	1.11	-36.08
O=C(C=CC1=CC=NC(Cl)=C1)NCC1=NN=N[N-]1	REAL250004593360	1	26	-1.0	-37.20	258.07	1.13	-36.07
COC1=CC=C(C)C(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004593361	0	32	-1.0	-38.18	276.48	-1.07	-39.25
COC1=CC=C(C)C(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004593361	1	32	-1.0	-38.16	276.54	-1.05	-39.21
O=C(C=CC1=CC=NC2=CC=CC=C12)NCC1=N[N-]N=N1	REAL250004593362	0	32	-1.0	-39.29	284.85	2.73	-36.56
O=C(C=CC1=CC=NC2=CC=CC=C12)NCC1=NN=N[N-]1	REAL250004593362	1	32	-1.0	-39.31	284.91	2.75	-36.56
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593363	0	30	-1.0	-36.63	271.45	3.13	-33.50
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593363	1	30	-1.0	-36.59	271.50	3.14	-33.45
NS(=O)(=O)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593364	0	34	-1.0	-49.10	284.69	-3.73	-52.83
NS(=O)(=O)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593364	1	34	-1.0	-49.14	284.75	-3.71	-52.85
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL250004593365	0	29	-1.0	-40.49	274.81	2.38	-38.11
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2F)=NO1	REAL250004593365	1	29	-1.0	-40.44	274.76	2.36	-38.08
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1	REAL250004593366	0	27	-1.0	-36.02	266.36	0.55	-35.47
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL250004593366	1	27	-1.0	-36.03	266.43	0.57	-35.46
CC1=CC=CC(C(F)(F)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593367	0	29	-1.0	-35.76	267.26	2.69	-33.07
CC1=CC=CC(C(F)(F)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593367	1	29	-1.0	-35.74	267.20	2.68	-33.06
COC1=CSC(C(=O)NCC2=N[N-]N=N2)=C1OC	REAL250004593368	0	28	-1.0	-39.53	264.35	0.22	-39.31
COC1=CSC(C(=O)NCC2=NN=N[N-]2)=C1OC	REAL250004593368	1	28	-1.0	-39.53	264.41	0.24	-39.29
CSC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004593369	0	30	-1.0	-34.33	291.42	3.68	-30.65
CSC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004593369	1	30	-1.0	-34.32	291.48	3.69	-30.63
CC1=CC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004593370	0	31	-1.0	-38.85	274.22	2.28	-36.57
CC1=CC2=NC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004593370	1	31	-1.0	-38.80	274.28	2.29	-36.51
COC1=C(F)C=CC(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004593371	0	27	-1.0	-37.78	255.56	0.80	-36.98
COC1=C(F)C=CC(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004593371	1	27	-1.0	-37.80	255.62	0.82	-36.98
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL250004593372	0	29	-1.0	-38.11	265.80	1.08	-37.03
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C2=COC=C2)=C1	REAL250004593372	1	29	-1.0	-38.09	265.74	1.06	-37.03
CC1(C)C(C(=O)NCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004593373	0	32	-1.0	-41.89	270.82	-1.78	-43.67
CC1(C)C(C(=O)NCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004593373	1	32	-1.0	-41.89	270.87	-1.78	-43.67
COC1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL250004593374	0	29	-1.0	-36.00	256.94	-1.08	-37.08
COC1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL250004593374	1	29	-1.0	-36.01	257.00	-1.07	-37.08
CCCC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593375	0	35	-1.0	-37.02	300.57	4.15	-32.87
CCCC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593375	1	35	-1.0	-37.01	300.63	4.16	-32.85
CC(C)N1C=CC(C(=O)NCC2=N[N-]N=N2)=CC1=O	REAL250004593376	0	32	-1.0	-41.73	274.95	1.39	-40.34
CC(C)N1C=CC(C(=O)NCC2=NN=N[N-]2)=CC1=O	REAL250004593376	1	32	-1.0	-41.75	275.00	1.40	-40.35
O=C(CCCCN1C(=O)CCC1=O)NCC1=N[N-]N=N1	REAL250004593377	0	35	-1.0	-44.56	305.92	0.96	-43.60
O=C(CCCCN1C(=O)CCC1=O)NCC1=NN=N[N-]1	REAL250004593377	1	35	-1.0	-44.60	305.98	0.98	-43.62
CC(C(=O)NCC1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL250004593378	0	35	-1.0	-36.99	293.21	3.65	-33.34
CC(C(=O)NCC1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL250004593378	1	35	-1.0	-36.98	293.26	3.66	-33.32
C=CC1(CC(=O)NCC2=N[N-]N=N2)CCOCC1	REAL250004593379	0	34	-1.0	-35.35	264.28	0.36	-34.99
C=CC1(CC(=O)NCC2=NN=N[N-]2)CCOCC1	REAL250004593379	1	34	-1.0	-35.34	264.33	0.37	-34.97
CN1C=CC(N2C=NC(C(=O)NCC3=NN=N[N-]3)=C2)=N1	REAL250004593380	0	30	-1.0	-47.71	278.78	2.49	-45.22
CN1C=CC(N2C=NC(C(=O)NCC3=N[N-]N=N3)=C2)=N1	REAL250004593380	1	30	-1.0	-47.75	278.72	2.47	-45.28
CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593381	0	30	-1.0	-36.19	265.15	3.08	-33.11
CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593381	1	30	-1.0	-36.20	265.21	3.09	-33.11
CCCCC1=NC(C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593382	0	31	-1.0	-39.85	285.23	1.26	-38.59
CCCCC1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593382	1	31	-1.0	-39.86	285.29	1.28	-38.58
O=C(CF)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593383	0	28	-1.0	-40.96	260.35	1.88	-39.08
O=C(CF)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593383	1	28	-1.0	-40.99	260.41	1.90	-39.09
CN(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL250004593384	0	32	-1.0	-39.82	293.20	1.44	-38.38
CN(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL250004593384	1	32	-1.0	-39.85	293.26	1.45	-38.40
CC1(C)CCC(C)(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593385	0	38	-1.0	-36.40	283.69	2.78	-33.62
CC1(C)CCC(C)(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593385	1	38	-1.0	-36.37	283.75	2.80	-33.57
CCC1=NC2=CC=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593386	0	34	-1.0	-37.05	287.65	2.98	-34.07
CCC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593386	1	34	-1.0	-37.05	287.71	2.99	-34.06
N#CC1(C(=O)NCC2=N[N-]N=N2)CC1C(F)(F)F	REAL250004593387	0	24	-1.0	-37.89	241.51	0.75	-37.14
N#CC1(C(=O)NCC2=NN=N[N-]2)CC1C(F)(F)F	REAL250004593387	1	24	-1.0	-37.86	241.57	0.76	-37.10
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=CC2=C1OCO2	REAL250004593388	0	26	-1.0	-41.03	257.48	0.21	-40.82
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL250004593388	1	26	-1.0	-41.01	257.54	0.22	-40.79
O=C(NCC1=N[N-]N=N1)C12CC(F)(F)CC1CCCC2	REAL250004593389	0	36	-1.0	-36.41	279.95	3.25	-33.16
O=C(NCC1=NN=N[N-]1)C12CC(F)(F)CC1CCCC2	REAL250004593389	1	36	-1.0	-36.38	280.01	3.26	-33.12
CC1=CC=CC(C2=NOC(C(=O)NCC3=NN=N[N-]3)=C2)=C1	REAL250004593390	0	32	-1.0	-37.01	291.75	2.91	-34.10
CC1=CC=CC(C2=NOC(C(=O)NCC3=N[N-]N=N3)=C2)=C1	REAL250004593390	1	32	-1.0	-36.98	291.69	2.89	-34.09
CN1N=NC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004593391	0	25	-1.0	-34.46	240.85	-1.66	-36.12
CN1N=NC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004593391	1	25	-1.0	-34.47	240.79	-1.68	-36.15
O=C(NCC1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004593392	0	38	-1.0	-38.67	287.10	-0.18	-38.85
O=C(NCC1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004593392	1	38	-1.0	-38.66	287.16	-0.17	-38.83
CC1CC(C(=O)NCC2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL250004593393	0	40	-1.0	-45.72	326.18	1.96	-43.76
CC1CC(C(=O)NCC2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL250004593393	1	40	-1.0	-45.71	326.23	1.98	-43.73
O=C(NCC1=N[N-]N=N1)C1=CC2=NNC(=O)N2C=C1	REAL250004593394	0	26	-1.0	-36.75	243.89	-0.48	-37.23
O=C(NCC1=NN=N[N-]1)C1=CC2=NNC(=O)N2C=C1	REAL250004593394	1	26	-1.0	-36.78	243.95	-0.47	-37.25
CN1C=CC(C2=NNC=C2C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593395	0	30	-1.0	-47.15	273.66	-0.63	-47.78
CN1C=CC(C2=NNC=C2C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593395	1	30	-1.0	-47.14	273.60	-0.64	-47.78
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL250004593396	0	33	-1.0	-36.79	284.20	2.52	-34.27
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL250004593396	1	33	-1.0	-36.77	284.14	2.51	-34.26
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004593397	0	34	-1.0	-40.39	294.39	3.22	-37.17
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004593397	1	34	-1.0	-40.39	294.45	3.24	-37.15
CCC1=C(C(=O)NCC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004593398	0	37	-1.0	-40.43	315.72	3.95	-36.48
CCC1=C(C(=O)NCC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004593398	1	37	-1.0	-40.44	315.77	3.96	-36.48
O=C(NCC1=N[N-]N=N1)C12CCOC1CCOC2	REAL250004593399	0	32	-1.0	-41.74	253.92	-0.36	-42.10
O=C(NCC1=NN=N[N-]1)C12CCOC1CCOC2	REAL250004593399	1	32	-1.0	-41.72	253.98	-0.34	-42.06
CC(=O)CC1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004593400	0	34	-1.0	-43.69	276.24	2.67	-41.02
CC(=O)CC1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004593400	1	34	-1.0	-43.69	276.30	2.68	-41.01
O=C(NCC1=N[N-]N=N1)C(C1CC1)C1CCCO1	REAL250004593401	0	34	-1.0	-34.30	277.34	1.56	-32.74
O=C(NCC1=NN=N[N-]1)C(C1CC1)C1CCCO1	REAL250004593401	1	34	-1.0	-34.30	277.40	1.58	-32.72
CCC1=CN2C(=N1)C=CC=C2C(=O)NCC1=NN=N[N-]1	REAL250004593402	0	32	-1.0	-39.08	278.15	2.98	-36.10
CCC1=CN2C(=N1)C=CC=C2C(=O)NCC1=N[N-]N=N1	REAL250004593402	1	32	-1.0	-39.11	278.10	2.97	-36.14
CCOC(=O)C12CC(C(=O)NCC3=N[N-]N=N3)(C1)OC2	REAL250004593403	0	34	-1.0	-37.55	298.42	0.39	-37.16
CCOC(=O)C12CC(C(=O)NCC3=NN=N[N-]3)(C1)OC2	REAL250004593403	1	34	-1.0	-37.59	298.48	0.40	-37.19
CC1(C)CC(CC(=O)NCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004593404	0	42	-1.0	-35.82	322.06	2.45	-33.37
CC1(C)CC(CC(=O)NCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004593404	1	42	-1.0	-35.86	322.12	2.46	-33.40
O=C(CC1CCN2C=NC=C2C1)NCC1=N[N-]N=N1	REAL250004593405	0	33	-1.0	-42.27	274.78	2.85	-39.42
O=C(CC1CCN2C=NC=C2C1)NCC1=NN=N[N-]1	REAL250004593405	1	33	-1.0	-42.24	274.84	2.86	-39.38
O=C(CCCCCN1C=NN=N1)NCC1=NN=N[N-]1	REAL250004593406	0	33	-1.0	-47.41	291.67	1.47	-45.94
O=C(CCCCCN1C=NN=N1)NCC1=N[N-]N=N1	REAL250004593406	1	33	-1.0	-47.42	291.61	1.45	-45.97
O=C(CCC1=NC=C(F)C=N1)NCC1=N[N-]N=N1	REAL250004593407	0	27	-1.0	-37.05	253.99	-0.01	-37.06
O=C(CCC1=NC=C(F)C=N1)NCC1=NN=N[N-]1	REAL250004593407	1	27	-1.0	-37.05	254.05	0.01	-37.04
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(=O)NCC2=C1	REAL250004593408	0	30	-1.0	-39.54	265.84	-1.68	-41.22
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL250004593408	1	30	-1.0	-39.55	265.90	-1.66	-41.21
O=C(NCC1=N[N-]N=N1)C(CC(F)(F)F)C1=CC=CC=C1	REAL250004593409	0	32	-1.0	-35.40	287.26	3.37	-32.03
O=C(NCC1=NN=N[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL250004593409	1	32	-1.0	-35.39	287.31	3.38	-32.01
CN1N=C(C(=O)NCC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004593410	0	29	-1.0	-43.29	269.60	1.29	-42.00
CN1N=C(C(=O)NCC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004593410	1	29	-1.0	-43.31	269.55	1.27	-42.04
O=C(NCC1=N[N-]N=N1)C1=COC2=C1CS(=O)(=O)C2	REAL250004593411	0	27	-1.0	-44.30	260.27	-2.86	-47.16
O=C(NCC1=NN=N[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL250004593411	1	27	-1.0	-44.28	260.33	-2.85	-47.13
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CCOC2)C=C1	REAL250004593412	0	34	-1.0	-37.40	286.29	1.84	-35.56
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL250004593412	1	34	-1.0	-37.36	286.35	1.86	-35.50
CN1C=C(C2=NOC(C(=O)NCC3=NN=N[N-]3)=C2)C=N1	REAL250004593413	0	29	-1.0	-38.39	275.02	0.10	-38.29
CN1C=C(C2=NOC(C(=O)NCC3=N[N-]N=N3)=C2)C=N1	REAL250004593413	1	29	-1.0	-38.34	274.97	0.08	-38.26
O=C(NCC1=N[N-]N=N1)C1=CN=CC2=C1CCCC2	REAL250004593414	0	32	-1.0	-37.54	263.68	1.95	-35.59
O=C(NCC1=NN=N[N-]1)C1=CN=CC2=C1CCCC2	REAL250004593414	1	32	-1.0	-37.52	263.74	1.96	-35.56
CC1=CC=CN2N=CC(C(=O)NCC3=NN=N[N-]3)=C12	REAL250004593415	0	29	-1.0	-42.77	252.31	1.66	-41.11
CC1=CC=CN2N=CC(C(=O)NCC3=N[N-]N=N3)=C12	REAL250004593415	1	29	-1.0	-42.79	252.25	1.64	-41.15
C=CCNC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593416	0	34	-1.0	-38.82	302.27	0.94	-37.88
C=CCNC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593416	1	34	-1.0	-38.83	302.33	0.95	-37.88
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004593417	0	32	-1.0	-39.96	292.36	3.14	-36.82
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004593417	1	32	-1.0	-39.95	292.31	3.12	-36.83
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL250004593418	0	33	-1.0	-36.88	284.37	2.52	-34.36
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL250004593418	1	33	-1.0	-36.87	284.31	2.51	-34.36
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL250004593419	0	30	-1.0	-35.21	279.65	2.34	-32.87
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL250004593419	1	30	-1.0	-35.25	279.71	2.36	-32.89
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL250004593420	0	30	-1.0	-35.63	269.40	1.92	-33.71
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL250004593420	1	30	-1.0	-35.62	269.34	1.91	-33.71
CC1=C2N=C(C(=O)NCC3=NN=N[N-]3)C=CN2N=C1	REAL250004593421	0	28	-1.0	-39.87	258.13	0.90	-38.97
CC1=C2N=C(C(=O)NCC3=N[N-]N=N3)C=CN2N=C1	REAL250004593421	1	28	-1.0	-39.88	258.07	0.88	-39.00
O=C(NCC1=N[N-]N=N1)C1=CC=CC(F)=C1C(F)(F)F	REAL250004593422	0	26	-1.0	-40.15	250.85	2.08	-38.07
O=C(NCC1=NN=N[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL250004593422	1	26	-1.0	-40.14	250.91	2.10	-38.04
O=C(NCC1=NN=N[N-]1)C1=C2SN=CC2=CC=C1	REAL250004593423	0	25	-1.0	-43.07	241.60	1.44	-41.63
O=C(NCC1=N[N-]N=N1)C1=C2SN=CC2=CC=C1	REAL250004593423	1	25	-1.0	-43.07	241.54	1.43	-41.64
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)F)C=N1	REAL250004593424	0	25	-1.0	-39.07	243.06	0.45	-38.62
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)F)C=N1	REAL250004593424	1	25	-1.0	-39.05	243.00	0.44	-38.61
O=C(NCC1=NN=N[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL250004593425	0	26	-1.0	-36.32	252.41	2.68	-33.64
O=C(NCC1=N[N-]N=N1)C1=C2SC=CC2=C(F)C=C1	REAL250004593425	1	26	-1.0	-36.32	252.35	2.66	-33.66
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004593426	0	36	-1.0	-38.39	309.01	5.39	-33.00
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004593426	1	36	-1.0	-38.37	308.96	5.37	-33.00
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593427	0	36	-1.0	-39.26	301.82	5.35	-33.91
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593427	1	36	-1.0	-39.25	301.76	5.34	-33.91
COC1=CC(OC)=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593428	0	31	-1.0	-40.49	282.29	0.41	-40.08
COC1=CC(OC)=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593428	1	31	-1.0	-40.43	282.35	0.42	-40.01
O=C(NCC1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL250004593429	0	29	-1.0	-40.44	258.79	1.30	-39.14
O=C(NCC1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL250004593429	1	29	-1.0	-40.46	258.84	1.32	-39.14
O=C(NCC1=N[N-]N=N1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004593430	0	38	-1.0	-37.13	305.07	4.87	-32.26
O=C(NCC1=NN=N[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004593430	1	38	-1.0	-37.10	305.12	4.88	-32.22
CC1(C)CCC(F)(F)CC1C(=O)NCC1=N[N-]N=N1	REAL250004593431	0	35	-1.0	-35.29	273.10	2.43	-32.86
CC1(C)CCC(F)(F)CC1C(=O)NCC1=NN=N[N-]1	REAL250004593431	1	35	-1.0	-35.31	273.16	2.44	-32.87
CC1=C(C#N)C(C(=O)NCC2=N[N-]N=N2)=C(C)S1	REAL250004593432	0	27	-1.0	-43.13	267.49	1.88	-41.25
CC1=C(C#N)C(C(=O)NCC2=NN=N[N-]2)=C(C)S1	REAL250004593432	1	27	-1.0	-43.13	267.54	1.89	-41.24
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004593433	0	28	-1.0	-43.63	257.28	3.58	-40.05
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004593433	1	28	-1.0	-43.63	257.34	3.59	-40.04
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004593434	0	35	-1.0	-40.97	311.67	3.97	-37.00
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004593434	1	35	-1.0	-40.99	311.62	3.96	-37.03
O=C(NCC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL250004593435	0	22	-1.0	-32.57	240.09	-0.44	-33.01
O=C(NCC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL250004593435	1	22	-1.0	-32.52	240.03	-0.45	-32.97
COC1=CC2=C(C(=O)NCC3=NN=N[N-]3)NN=C2C=C1	REAL250004593436	0	30	-1.0	-40.25	267.89	-0.74	-40.99
COC1=CC2=C(C(=O)NCC3=N[N-]N=N3)NN=C2C=C1	REAL250004593436	1	30	-1.0	-40.27	267.83	-0.76	-41.03
COC1=CC=C2NC(C(=O)NCC3=N[N-]N=N3)=C(C)C2=C1	REAL250004593437	0	34	-1.0	-37.22	292.46	1.15	-36.07
COC1=CC=C2NC(C(=O)NCC3=NN=N[N-]3)=C(C)C2=C1	REAL250004593437	1	34	-1.0	-37.22	292.52	1.16	-36.06
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCC1=N[N-]N=N1	REAL250004593438	0	32	-1.0	-35.24	286.39	3.36	-31.88
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCC1=NN=N[N-]1	REAL250004593438	1	32	-1.0	-35.20	286.45	3.37	-31.83
CC1CCC(CC(=O)NCC2=N[N-]N=N2)CC1C	REAL250004593439	0	38	-1.0	-35.60	294.05	3.29	-32.31
CC1CCC(CC(=O)NCC2=NN=N[N-]2)CC1C	REAL250004593439	1	38	-1.0	-35.57	294.11	3.30	-32.27
O=C(NCC1=N[N-]N=N1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004593440	0	36	-1.0	-38.16	278.78	2.26	-35.90
O=C(NCC1=NN=N[N-]1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004593440	1	36	-1.0	-38.13	278.84	2.27	-35.86
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1C2	REAL250004593441	0	33	-1.0	-35.76	268.63	2.53	-33.23
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL250004593441	1	33	-1.0	-35.75	268.69	2.54	-33.21
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1CC(F)(F)F	REAL250004593442	0	29	-1.0	-38.03	262.32	2.98	-35.05
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL250004593442	1	29	-1.0	-38.06	262.38	2.99	-35.07
O=C(NCC1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL250004593443	0	27	-1.0	-39.39	244.78	-0.10	-39.49
O=C(NCC1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL250004593443	1	27	-1.0	-39.39	244.72	-0.12	-39.51
CCN(CCC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004593444	0	42	-1.0	-39.46	340.38	2.20	-37.26
CCN(CCC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004593444	1	42	-1.0	-39.45	340.44	2.21	-37.24
O=C(NCC1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL250004593445	0	28	-1.0	-39.99	264.20	-0.39	-40.38
O=C(NCC1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL250004593445	1	28	-1.0	-39.97	264.14	-0.40	-40.37
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004593446	0	29	-1.0	-33.64	266.27	2.50	-31.14
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004593446	1	29	-1.0	-33.61	266.21	2.48	-31.13
O=C(NCC1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL250004593447	0	29	-1.0	-37.26	270.39	0.83	-36.43
O=C(NCC1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL250004593447	1	29	-1.0	-37.29	270.34	0.83	-36.46
O=C(CC1CCS(=O)(=O)CC1)NCC1=N[N-]N=N1	REAL250004593448	0	32	-1.0	-43.15	274.67	-1.79	-44.94
O=C(CC1CCS(=O)(=O)CC1)NCC1=NN=N[N-]1	REAL250004593448	1	32	-1.0	-43.13	274.73	-1.78	-44.91
O=C(NCC1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL250004593449	0	26	-1.0	-39.25	251.15	0.15	-39.10
O=C(NCC1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL250004593449	1	26	-1.0	-39.23	251.09	0.13	-39.10
CC1=NN=NN1C(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004593450	0	34	-1.0	-45.53	301.25	1.72	-43.81
CC1=NN=NN1C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004593450	1	34	-1.0	-45.51	301.31	1.73	-43.78
O=C(NCC1=NN=N[N-]1)C1CCCN1C1=CN=CC=N1	REAL250004593451	0	33	-1.0	-41.31	282.95	-0.71	-42.02
O=C(NCC1=N[N-]N=N1)C1CCCN1C1=CN=CC=N1	REAL250004593451	1	33	-1.0	-41.32	282.89	-0.73	-42.05
CC1=CC=C(C=CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593452	0	33	-1.0	-37.91	288.63	3.92	-33.99
CC1=CC=C(C=CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593452	1	33	-1.0	-37.95	288.69	3.93	-34.02
O=C(NCC1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=CN1	REAL250004593453	0	28	-1.0	-43.76	262.74	-3.07	-46.83
O=C(NCC1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL250004593453	1	28	-1.0	-43.79	262.80	-3.05	-46.84
CCOC(=O)C1(C(=O)NCC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004593454	0	39	-1.0	-35.60	321.28	3.71	-31.89
CCOC(=O)C1(C(=O)NCC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004593454	1	39	-1.0	-35.58	321.34	3.73	-31.85
CC(C)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004593455	0	32	-1.0	-40.37	274.91	3.19	-37.18
CC(C)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004593455	1	32	-1.0	-40.36	274.97	3.21	-37.15
CC(C)C1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593456	0	32	-1.0	-39.29	276.28	3.24	-36.05
CC(C)C1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593456	1	32	-1.0	-39.32	276.33	3.25	-36.07
O=C(NCC1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004593457	0	29	-1.0	-41.04	261.35	3.57	-37.47
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CCC1(C(=O)NCC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004593458	0	39	-1.0	-37.42	299.99	4.51	-32.91
CCC1(C(=O)NCC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004593458	1	39	-1.0	-37.37	300.05	4.52	-32.85
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C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593463	0	37	-1.0	-39.37	309.90	4.76	-34.61
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593463	1	37	-1.0	-39.42	309.96	4.77	-34.65
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593464	0	37	-1.0	-39.42	310.02	4.76	-34.66
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593464	1	37	-1.0	-39.41	310.08	4.77	-34.64
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CC(C)(C)C1=NC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL250004593469	1	31	-1.0	-37.29	273.00	-1.18	-38.47
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CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004593471	0	32	-1.0	-37.74	279.51	2.95	-34.79
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004593471	1	32	-1.0	-37.77	279.57	2.97	-34.80
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COCC1(C(=O)NCC2=N[N-]N=N2)CC=CCC1	REAL250004593473	0	34	-1.0	-38.29	277.68	0.87	-37.42
COCC1(C(=O)NCC2=NN=N[N-]2)CC=CCC1	REAL250004593473	1	34	-1.0	-38.29	277.73	0.89	-37.40
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CC(F)(F)C(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004593475	0	32	-1.0	-40.61	278.29	3.36	-37.25
CC(F)(F)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004593475	1	32	-1.0	-40.63	278.35	3.38	-37.25
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CCC(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004593478	0	35	-1.0	-50.25	292.80	1.10	-49.15
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COC(=O)C1=COC2=C1NC(C(=O)NCC1=N[N-]N=N1)=C2	REAL250004593483	0	30	-1.0	-42.61	282.95	0.02	-42.59
COC(=O)C1=COC2=C1NC(C(=O)NCC1=NN=N[N-]1)=C2	REAL250004593483	1	30	-1.0	-42.59	283.01	0.04	-42.55
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL250004593484	0	28	-1.0	-47.59	273.73	-0.06	-47.65
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL250004593484	1	28	-1.0	-47.60	273.79	-0.05	-47.65
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COC(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004593486	0	32	-1.0	-39.08	276.48	2.44	-36.64
COC(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004593486	1	32	-1.0	-39.10	276.54	2.46	-36.64
C=CCCC(CC(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004593487	0	38	-1.0	-36.11	302.79	4.07	-32.04
C=CCCC(CC(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004593487	1	38	-1.0	-36.11	302.84	4.09	-32.02
CC(C)(C)C1CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004593488	0	33	-1.0	-35.71	276.26	0.32	-35.39
CC(C)(C)C1CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004593488	1	33	-1.0	-35.71	276.32	0.34	-35.37
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CC(C)COC(C(=O)NCC1=N[N-]N=N1)C(C)C	REAL250004593491	0	38	-1.0	-36.45	310.12	2.91	-33.54
CC(C)COC(C(=O)NCC1=NN=N[N-]1)C(C)C	REAL250004593491	1	38	-1.0	-36.44	310.17	2.93	-33.51
CC1=C2C=C(C(=O)NCC3=N[N-]N=N3)N=CC2=NN1	REAL250004593492	0	28	-1.0	-44.12	256.90	-1.16	-45.28
CC1=C2C=C(C(=O)NCC3=NN=N[N-]3)N=CC2=NN1	REAL250004593492	1	28	-1.0	-44.11	256.96	-1.14	-45.25
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O=C(NCC1=N[N-]N=N1)C1=CN(CC(F)(F)F)C=N1	REAL250004593493	1	26	-1.0	-45.55	257.72	1.78	-43.77
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O=C(CCCCC1CSSC1)NCC1=NN=N[N-]1	REAL250004593494	1	34	-1.0	-39.18	304.09	4.43	-34.75
CNC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593495	0	35	-1.0	-42.22	286.83	-0.77	-42.99
CNC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593495	1	35	-1.0	-42.23	286.89	-0.75	-42.98
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O=C(NCC1=N[N-]N=N1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004593496	1	28	-1.0	-36.62	262.77	2.14	-34.48
CC1=CC2=CC=CN=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593497	0	31	-1.0	-45.77	272.06	2.73	-43.04
CC1=CC2=CC=CN=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593497	1	31	-1.0	-45.81	272.00	2.72	-43.09
CN1C=C(C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593498	0	33	-1.0	-43.54	287.36	2.55	-40.99
CN1C=C(C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593498	1	33	-1.0	-43.53	287.30	2.54	-40.99
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004593499	0	31	-1.0	-39.41	274.42	1.88	-37.53
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004593499	1	31	-1.0	-39.39	274.36	1.87	-37.52
COC1(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)COC1	REAL250004593500	0	35	-1.0	-40.07	292.08	0.55	-39.52
COC1(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)COC1	REAL250004593500	1	35	-1.0	-40.07	292.14	0.56	-39.51
CC(C)N1C=CC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004593501	0	36	-1.0	-42.38	303.09	4.36	-38.02
CC(C)N1C=CC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004593501	1	36	-1.0	-42.37	303.03	4.35	-38.02
CCC(CC(=O)NCC1=N[N-]N=N1)CC(F)(F)F	REAL250004593502	0	31	-1.0	-37.39	261.90	1.72	-35.67
CCC(CC(=O)NCC1=NN=N[N-]1)CC(F)(F)F	REAL250004593502	1	31	-1.0	-37.39	261.96	1.73	-35.66
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL250004593503	0	30	-1.0	-33.94	273.73	1.91	-32.03
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL250004593503	1	30	-1.0	-33.91	273.79	1.93	-31.98
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COC(=O)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593505	0	32	-1.0	-42.26	288.51	2.69	-39.57
COC(=O)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593505	1	32	-1.0	-42.24	288.57	2.70	-39.54
NC1=C(C(=O)NCC2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL250004593506	0	25	-1.0	-32.21	240.18	-0.34	-32.55
NC1=C(C(=O)NCC2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL250004593506	1	25	-1.0	-32.20	240.24	-0.32	-32.52
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NCC1=N[N-]N=N1	REAL250004593507	0	40	-1.0	-46.95	323.85	1.82	-45.13
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NCC1=NN=N[N-]1	REAL250004593507	1	40	-1.0	-46.99	323.91	1.83	-45.16
NC1=C(F)C=C(F)C(F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593508	0	25	-1.0	-35.73	246.67	-0.82	-36.55
NC1=C(F)C=C(F)C(F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593508	1	25	-1.0	-35.74	246.73	-0.81	-36.55
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O=C(NCC1=NN=N[N-]1)C12CCN(CCC1)S2(=O)=O	REAL250004593510	1	32	-1.0	-42.46	269.74	-2.52	-44.98
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O=C(NCC1=N[N-]N=N1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004593511	1	32	-1.0	-43.39	291.09	1.01	-42.38
CC1=CC=CC(C2(C(=O)NCC3=N[N-]N=N3)CC2(F)F)=C1	REAL250004593512	0	33	-1.0	-38.23	296.12	4.00	-34.23
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CC(C)C1=CNC2=CC(C(=O)NCC3=N[N-]N=N3)=NC2=C1	REAL250004593513	0	35	-1.0	-56.33	301.46	1.27	-55.06
CC(C)C1=CNC2=CC(C(=O)NCC3=NN=N[N-]3)=NC2=C1	REAL250004593513	1	35	-1.0	-56.34	301.52	1.28	-55.06
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COC1=CC=CC(CCC(=O)NCC2=N[N-]N=N2)=N1	REAL250004593515	0	32	-1.0	-38.14	283.98	-0.52	-38.66
COC1=CC=CC(CCC(=O)NCC2=NN=N[N-]2)=N1	REAL250004593515	1	32	-1.0	-38.18	284.04	-0.51	-38.69
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CN1C(C(=O)NCC2=NN=N[N-]2)=CC2=C1C=CS2	REAL250004593518	0	27	-1.0	-37.67	253.70	1.86	-35.81
CN1C(C(=O)NCC2=N[N-]N=N2)=CC2=C1C=CS2	REAL250004593518	1	27	-1.0	-37.69	253.65	1.85	-35.84
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CC(=O)C1=NC(C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593522	1	24	-1.0	-47.74	242.99	-1.20	-48.94
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CC1(C)CCCC(CC(=O)NCC2=N[N-]N=N2)O1	REAL250004593526	0	36	-1.0	-38.70	285.03	2.00	-36.70
CC1(C)CCCC(CC(=O)NCC2=NN=N[N-]2)O1	REAL250004593526	1	36	-1.0	-38.67	285.09	2.02	-36.65
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COC1=CC2=NC=CC(C(=O)NCC3=NN=N[N-]3)=C2C=C1	REAL250004593529	0	32	-1.0	-37.12	277.15	0.93	-36.19
COC1=CC2=NC=CC(C(=O)NCC3=N[N-]N=N3)=C2C=C1	REAL250004593529	1	32	-1.0	-37.12	277.09	0.91	-36.21
CCSC1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593530	0	36	-1.0	-38.32	293.79	3.27	-35.05
CCSC1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593530	1	36	-1.0	-38.28	293.85	3.28	-35.00
CC1=CC(CCC(=O)NCC2=N[N-]N=N2)=CC(C)=N1	REAL250004593531	0	34	-1.0	-37.35	295.69	2.18	-35.17
CC1=CC(CCC(=O)NCC2=NN=N[N-]2)=CC(C)=N1	REAL250004593531	1	34	-1.0	-37.36	295.75	2.20	-35.16
CC1=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004593532	0	32	-1.0	-38.03	279.03	4.17	-33.86
CC1=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004593532	1	32	-1.0	-38.04	278.98	4.16	-33.88
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CC1=NN(C2CCC2)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593534	0	33	-1.0	-37.43	280.01	1.59	-35.84
CC1=NN(C2CCC2)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593534	1	33	-1.0	-37.47	280.07	1.61	-35.86
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004593535	0	30	-1.0	-38.24	279.00	2.48	-35.76
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O=C(NCC1=NN=N[N-]1)C1=CNC=C1Br	REAL250004593536	1	21	-1.0	-41.27	218.34	-0.24	-41.51
CCC1=C(C)SC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593537	0	29	-1.0	-37.02	259.93	2.29	-34.73
CCC1=C(C)SC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593537	1	29	-1.0	-37.00	259.99	2.30	-34.70
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O=C(NCC1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL250004593538	1	27	-1.0	-36.41	255.25	-0.22	-36.63
CS(=O)(=O)C1=COC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593539	0	26	-1.0	-45.01	258.84	-3.30	-48.31
CS(=O)(=O)C1=COC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593539	1	26	-1.0	-45.02	258.89	-3.28	-48.30
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O=C(CC1=CC=C2CCOCC2=C1)NCC1=N[N-]N=N1	REAL250004593541	0	34	-1.0	-38.99	289.90	2.01	-36.98
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O=C(NCC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004593542	0	32	-1.0	-36.76	287.41	2.97	-33.79
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004593542	1	32	-1.0	-36.76	287.35	2.95	-33.81
CC1=NC(C(=O)NCC2=N[N-]N=N2)=CC=C1Br	REAL250004593543	0	25	-1.0	-36.78	248.50	0.65	-36.13
CC1=NC(C(=O)NCC2=NN=N[N-]2)=CC=C1Br	REAL250004593543	1	25	-1.0	-36.75	248.55	0.67	-36.08
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O=C(NCC1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL250004593544	1	30	-1.0	-40.99	276.05	2.55	-38.44
CCC1=CC=C(N2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)C=C1	REAL250004593545	0	35	-1.0	-40.94	311.80	2.39	-38.55
CCC1=CC=C(N2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)C=C1	REAL250004593545	1	35	-1.0	-40.96	311.74	2.37	-38.59
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CC1(C)CCC(=O)C2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004593547	0	38	-1.0	-42.38	310.05	3.67	-38.71
CC1(C)CCC(=O)C2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004593547	1	38	-1.0	-42.39	310.11	3.69	-38.70
CC1=CC(Cl)=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004593548	0	23	-1.0	-36.96	239.24	1.54	-35.42
CC1=CC(Cl)=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004593548	1	23	-1.0	-36.95	239.30	1.56	-35.39
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O=C(NCC1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL250004593549	1	34	-1.0	-37.18	281.86	0.94	-36.24
N#CC1=CN=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593550	0	23	-1.0	-36.66	241.23	0.18	-36.48
N#CC1=CN=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593550	1	23	-1.0	-36.64	241.17	0.16	-36.48
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1C(=O)NC2	REAL250004593551	0	28	-1.0	-51.94	248.14	0.24	-51.70
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CCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004593552	0	29	-1.0	-36.40	268.13	3.09	-33.31
CCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004593552	1	29	-1.0	-36.41	268.18	3.10	-33.31
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2CC2)C=C1	REAL250004593553	0	33	-1.0	-36.81	286.05	4.25	-32.56
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2CC2)C=C1	REAL250004593553	1	33	-1.0	-36.82	286.11	4.26	-32.56
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004593554	0	25	-1.0	-40.64	258.87	1.29	-39.35
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004593554	1	25	-1.0	-40.60	258.81	1.27	-39.33
N#CC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004593555	0	30	-1.0	-38.85	283.87	3.14	-35.71
N#CC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004593555	1	30	-1.0	-38.86	283.93	3.15	-35.71
O=C(NCC1=N[N-]N=N1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004593556	0	29	-1.0	-39.79	266.80	-1.45	-41.24
O=C(NCC1=NN=N[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004593556	1	29	-1.0	-39.79	266.86	-1.43	-41.22
O=C(NCC1=N[N-]N=N1)C1=CN=C2CCCCC2=C1	REAL250004593557	0	32	-1.0	-37.30	269.54	1.91	-35.39
O=C(NCC1=NN=N[N-]1)C1=CN=C2CCCCC2=C1	REAL250004593557	1	32	-1.0	-37.30	269.60	1.93	-35.37
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593558	0	31	-1.0	-39.98	274.07	3.32	-36.66
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593558	1	31	-1.0	-39.99	274.13	3.33	-36.66
O=C(NCC1=N[N-]N=N1)C1CCC1C1=CC=CC=C1Cl	REAL250004593559	0	33	-1.0	-39.04	293.47	4.10	-34.94
O=C(NCC1=NN=N[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL250004593559	1	33	-1.0	-39.01	293.53	4.11	-34.90
CC(C)N1C=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004593560	0	36	-1.0	-40.15	305.17	4.37	-35.78
CC(C)N1C=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004593560	1	36	-1.0	-40.17	305.22	4.38	-35.79
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=N[N-]N=N1	REAL250004593561	0	30	-1.0	-38.86	272.14	1.11	-37.75
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=NN=N[N-]1	REAL250004593561	1	30	-1.0	-38.88	272.20	1.13	-37.75
C=CCOCC(C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL250004593562	0	39	-1.0	-34.40	309.51	2.63	-31.77
C=CCOCC(C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL250004593562	1	39	-1.0	-34.37	309.57	2.64	-31.73
CN1N=CC(C(F)F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593563	0	26	-1.0	-40.47	251.81	-0.18	-40.65
CN1N=CC(C(F)F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593563	1	26	-1.0	-40.39	251.75	-0.20	-40.59
CC1=NN(C2CCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593564	0	33	-1.0	-35.73	281.17	1.75	-33.98
CC1=NN(C2CCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593564	1	33	-1.0	-35.75	281.22	1.77	-33.98
O=C(NCC1=NN=N[N-]1)C1=CC=NN1CCC(F)(F)F	REAL250004593565	0	29	-1.0	-34.83	273.26	0.98	-33.85
O=C(NCC1=N[N-]N=N1)C1=CC=NN1CCC(F)(F)F	REAL250004593565	1	29	-1.0	-34.86	273.21	0.97	-33.89
CC1(C)CCCOC1CC(=O)NCC1=N[N-]N=N1	REAL250004593566	0	36	-1.0	-37.73	279.92	1.65	-36.08
CC1(C)CCCOC1CC(=O)NCC1=NN=N[N-]1	REAL250004593566	1	36	-1.0	-37.73	279.97	1.66	-36.07
O=C(C=CC1=CC=C(Cl)C=C1F)NCC1=N[N-]N=N1	REAL250004593567	0	27	-1.0	-37.01	268.33	2.99	-34.02
O=C(C=CC1=CC=C(Cl)C=C1F)NCC1=NN=N[N-]1	REAL250004593567	1	27	-1.0	-37.00	268.39	3.01	-33.99
CC(=O)NC(COC(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004593568	0	36	-1.0	-42.37	303.71	-0.72	-43.09
CC(=O)NC(COC(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004593568	1	36	-1.0	-42.39	303.76	-0.70	-43.09
CC1(C)OCC(CCC(=O)NCC2=N[N-]N=N2)O1	REAL250004593569	0	34	-1.0	-36.88	287.49	0.12	-36.76
CC1(C)OCC(CCC(=O)NCC2=NN=N[N-]2)O1	REAL250004593569	1	34	-1.0	-36.89	287.54	0.13	-36.76
COC1=CC2=CC=C(CC(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004593570	0	36	-1.0	-39.92	311.65	3.48	-36.44
COC1=CC2=CC=C(CC(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004593570	1	36	-1.0	-39.90	311.71	3.49	-36.41
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CC(C)CC(CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593571	1	41	-1.0	-35.48	327.03	5.08	-30.40
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COC(=O)C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593576	0	32	-1.0	-40.12	296.70	1.28	-38.84
COC(=O)C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593576	1	32	-1.0	-40.11	296.76	1.29	-38.82
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004593577	0	32	-1.0	-36.46	292.00	3.43	-33.03
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004593577	1	32	-1.0	-36.44	292.06	3.44	-33.00
CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004593578	0	32	-1.0	-36.68	283.72	3.28	-33.40
CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004593578	1	32	-1.0	-36.64	283.78	3.29	-33.35
CC(C)(C)N1C=C(CC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593579	0	35	-1.0	-40.51	299.01	1.75	-38.76
CC(C)(C)N1C=C(CC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593579	1	35	-1.0	-40.50	298.95	1.73	-38.77
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CC1=CC=C(C2(C(=O)NCC3=N[N-]N=N3)CC2)C(F)=C1	REAL250004593581	0	33	-1.0	-39.77	290.77	3.84	-35.93
CC1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CC2)C(F)=C1	REAL250004593581	1	33	-1.0	-39.76	290.83	3.86	-35.90
CCCC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1CC	REAL250004593583	0	34	-1.0	-41.92	293.98	0.43	-41.49
CCCC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1CC	REAL250004593583	1	34	-1.0	-41.97	294.04	0.45	-41.52
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CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=N[N-]N=N1	REAL250004593585	0	35	-1.0	-41.88	309.47	-0.35	-42.23
CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=NN=N[N-]1	REAL250004593585	1	35	-1.0	-41.90	309.53	-0.34	-42.24
CC1=NNC2=C1CC(C(=O)NCC1=N[N-]N=N1)CC2	REAL250004593586	0	33	-1.0	-37.93	276.23	0.58	-37.35
CC1=NNC2=C1CC(C(=O)NCC1=NN=N[N-]1)CC2	REAL250004593586	1	33	-1.0	-37.97	276.29	0.60	-37.37
CC1=C2CC(C(=O)NCC3=N[N-]N=N3)CCC2=NN1	REAL250004593586	1	33	-1.0	-37.94	275.78	0.58	-37.36
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=N[N-]N=N1	REAL250004593587	0	34	-1.0	-40.54	296.02	1.11	-39.43
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=NN=N[N-]1	REAL250004593587	1	34	-1.0	-40.55	296.08	1.13	-39.42
CSC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004593588	0	29	-1.0	-35.12	275.30	2.79	-32.33
CSC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004593588	1	29	-1.0	-35.13	275.36	2.80	-32.33
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=N[N-]N=N1	REAL250004593589	0	33	-1.0	-42.36	287.31	3.02	-39.34
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=NN=N[N-]1	REAL250004593589	1	33	-1.0	-42.35	287.36	3.03	-39.32
C=C1CCC1(C(=O)NCC1=N[N-]N=N1)C(=O)OC	REAL250004593590	0	30	-1.0	-36.21	266.24	1.49	-34.72
C=C1CCC1(C(=O)NCC1=NN=N[N-]1)C(=O)OC	REAL250004593590	1	30	-1.0	-36.19	266.30	1.50	-34.69
NS(=O)(=O)C1=COC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593591	0	25	-1.0	-43.01	252.23	-5.87	-48.88
NS(=O)(=O)C1=COC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593591	1	25	-1.0	-43.01	252.29	-5.85	-48.86
N#CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=NN2C=C1	REAL250004593592	0	27	-1.0	-42.13	260.07	1.40	-40.73
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C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004593593	0	37	-1.0	-43.15	314.78	0.18	-42.97
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004593593	1	37	-1.0	-43.10	314.84	0.19	-42.91
C[C@@H]1CC2=C(C(=O)NCC3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL250004593594	0	34	-1.0	-35.20	288.26	-0.76	-35.96
C[C@@H]1CC2=C(C(=O)NCC3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL250004593594	1	34	-1.0	-35.22	288.32	-0.74	-35.96
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004593595	0	32	-1.0	-43.67	293.05	2.06	-41.61
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004593595	1	32	-1.0	-43.67	292.99	2.05	-41.62
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O=C(NCC1=NN=N[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL250004593598	1	31	-1.0	-44.18	284.23	2.74	-41.44
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004593599	0	30	-1.0	-38.91	273.04	3.48	-35.43
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004593599	1	30	-1.0	-38.93	273.09	3.49	-35.44
O=C(NCC1=NN=N[N-]1)C1=C2C=NSC2=CC=C1	REAL250004593600	0	25	-1.0	-37.33	239.26	1.30	-36.03
O=C(NCC1=N[N-]N=N1)C1=C2C=NSC2=CC=C1	REAL250004593600	1	25	-1.0	-37.34	239.20	1.29	-36.05
CC1(C(=O)NCC2=N[N-]N=N2)CC(C2CC2)=NO1	REAL250004593601	0	31	-1.0	-39.97	272.09	0.78	-39.19
CC1(C(=O)NCC2=NN=N[N-]2)CC(C2CC2)=NO1	REAL250004593601	1	31	-1.0	-39.94	272.15	0.81	-39.13
O=C(NCC1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Cl	REAL250004593602	0	28	-1.0	-36.68	268.91	1.48	-35.20
O=C(NCC1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL250004593602	1	28	-1.0	-36.67	268.96	1.49	-35.18
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC1(F)F	REAL250004593603	0	30	-1.0	-38.77	274.40	3.05	-35.72
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC1(F)F	REAL250004593603	1	30	-1.0	-38.77	274.46	3.07	-35.70
CN(C)C1=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004593604	0	37	-1.0	-39.60	308.95	3.89	-35.71
CN(C)C1=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004593604	1	37	-1.0	-39.63	309.01	3.91	-35.72
O=C(NCC1=N[N-]N=N1)C1(CC2=NNN=C2)CCCC1	REAL250004593605	0	35	-1.0	-39.50	287.85	0.16	-39.34
O=C(NCC1=NN=N[N-]1)C1(CC2=NNN=C2)CCCC1	REAL250004593605	1	35	-1.0	-39.53	287.90	0.18	-39.35
C#CC1=CC=C(C2CC2C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593606	0	32	-1.0	-39.82	283.37	4.38	-35.44
C#CC1=CC=C(C2CC2C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593606	1	32	-1.0	-39.79	283.42	4.39	-35.40
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL250004593607	0	31	-1.0	-41.48	275.44	2.04	-39.44
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL250004593607	1	31	-1.0	-41.54	275.38	2.03	-39.51
O=C(NCC1=N[N-]N=N1)C1(C2CCC2)CC1(F)F	REAL250004593608	0	30	-1.0	-37.19	255.19	2.47	-34.72
O=C(NCC1=NN=N[N-]1)C1(C2CCC2)CC1(F)F	REAL250004593608	1	30	-1.0	-37.16	255.25	2.49	-34.67
CN1N=CC2=C(C(=O)NCC3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL250004593609	0	35	-1.0	-36.18	303.24	2.35	-33.83
CN1N=CC2=C(C(=O)NCC3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL250004593609	1	35	-1.0	-36.19	303.30	2.36	-33.83
O=C(NCC1=N[N-]N=N1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004593610	0	33	-1.0	-35.10	284.28	2.63	-32.47
O=C(NCC1=NN=N[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004593610	1	33	-1.0	-35.12	284.34	2.64	-32.48
O=C(NCC1=NN=N[N-]1)C1=C2C(=O)NCCN2N=C1	REAL250004593611	0	28	-1.0	-48.34	250.64	-2.01	-50.35
O=C(NCC1=N[N-]N=N1)C1=C2C(=O)NCCN2N=C1	REAL250004593611	1	28	-1.0	-48.40	250.58	-2.03	-50.43
CC1=CNC2=NC=C(C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004593612	0	29	-1.0	-40.37	259.90	1.21	-39.16
CC1=CNC2=NC=C(C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004593612	1	29	-1.0	-40.37	259.84	1.19	-39.18
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004593613	0	30	-1.0	-37.15	273.20	-0.07	-37.22
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004593613	1	30	-1.0	-37.18	273.26	-0.05	-37.23
CC1=NN=C(CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)O1	REAL250004593614	0	34	-1.0	-42.96	306.46	-1.37	-44.33
CC1=NN=C(CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)O1	REAL250004593614	1	34	-1.0	-42.98	306.52	-1.36	-44.34
CC1=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CN=C2C(F)=C1	REAL250004593615	0	31	-1.0	-39.93	280.52	2.38	-37.55
CC1=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CN=C2C(F)=C1	REAL250004593615	1	31	-1.0	-39.93	280.46	2.36	-37.57
CN1C=C(C2=NC(C(=O)NCC3=NN=N[N-]3)=CO2)C=N1	REAL250004593616	0	29	-1.0	-44.05	275.49	-2.59	-46.64
CN1C=C(C2=NC(C(=O)NCC3=N[N-]N=N3)=CO2)C=N1	REAL250004593616	1	29	-1.0	-44.07	275.43	-2.61	-46.68
COC1=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=C(C)C=C1	REAL250004593617	0	34	-1.0	-38.65	296.02	1.12	-37.53
COC1=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=C(C)C=C1	REAL250004593617	1	34	-1.0	-38.59	296.08	1.14	-37.45
CCCCOC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593618	0	39	-1.0	-37.87	330.54	3.73	-34.14
CCCCOC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593618	1	39	-1.0	-37.85	330.60	3.75	-34.10
COC1=NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL250004593619	0	32	-1.0	-38.33	284.84	0.14	-38.19
COC1=NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL250004593619	1	32	-1.0	-38.39	284.79	0.13	-38.26
CC1=CN2C(C(=O)NCC3=NN=N[N-]3)=CN=C2S1	REAL250004593620	0	26	-1.0	-37.10	248.44	1.68	-35.42
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL250004593621	0	20	-1.0	-32.52	236.74	1.34	-31.18
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL250004593621	1	20	-1.0	-32.50	236.79	1.36	-31.14
CC(C)(C)C1=CC=NC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593622	0	34	-1.0	-39.45	285.64	1.89	-37.56
CC(C)(C)C1=CC=NC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593622	1	34	-1.0	-39.46	285.58	1.87	-37.59
COC1CC2(C1)CCC(C(=O)NCC1=N[N-]N=N1)CC2	REAL250004593623	0	40	-1.0	-36.67	314.62	2.11	-34.56
COC1CC2(C1)CCC(C(=O)NCC1=NN=N[N-]1)CC2	REAL250004593623	1	40	-1.0	-36.68	314.68	2.13	-34.55
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593624	0	41	-1.0	-37.44	333.19	5.25	-32.19
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593624	1	41	-1.0	-37.48	333.25	5.26	-32.22
CCC(C)(C)C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593625	0	44	-1.0	-35.78	313.86	3.83	-31.95
CCC(C)(C)C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593625	1	44	-1.0	-35.79	313.91	3.84	-31.95
CC1=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004593626	0	31	-1.0	-38.47	274.29	2.29	-36.18
CC1=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004593626	1	31	-1.0	-38.45	274.23	2.28	-36.17
CN1C=C(C2=CC(C(=O)NCC3=N[N-]N=N3)=NO2)N=N1	REAL250004593627	0	28	-1.0	-43.24	269.12	-1.15	-44.39
CN1C=C(C2=CC(C(=O)NCC3=NN=N[N-]3)=NO2)N=N1	REAL250004593627	1	28	-1.0	-43.19	269.18	-1.14	-44.33
O=C(NCC1=N[N-]N=N1)C1CCC2(CC(=O)C2)CC1	REAL250004593628	0	35	-1.0	-39.68	284.69	2.27	-37.41
O=C(NCC1=NN=N[N-]1)C1CCC2(CC(=O)C2)CC1	REAL250004593628	1	35	-1.0	-39.65	284.75	2.29	-37.36
O=C(NCC1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL250004593629	0	30	-1.0	-41.77	267.49	0.99	-40.78
O=C(NCC1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250004593629	1	30	-1.0	-41.71	267.55	1.00	-40.71
CCC(CCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593630	0	38	-1.0	-37.54	311.11	4.53	-33.01
CCC(CCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593630	1	38	-1.0	-37.58	311.17	4.54	-33.04
COC1(C(F)(F)C(=O)NCC2=NN=N[N-]2)CCCC1	REAL250004593631	0	33	-1.0	-34.59	270.80	0.89	-33.70
COC1(C(F)(F)C(=O)NCC2=N[N-]N=N2)CCCC1	REAL250004593631	1	33	-1.0	-34.59	270.75	0.88	-33.71
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=N[N-]N=N1	REAL250004593632	0	37	-1.0	-37.50	311.30	2.82	-34.68
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=NN=N[N-]1	REAL250004593632	1	37	-1.0	-37.50	311.35	2.83	-34.67
O=C(NCC1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL250004593633	0	33	-1.0	-36.97	277.89	2.86	-34.11
O=C(NCC1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL250004593633	1	33	-1.0	-36.95	277.95	2.88	-34.07
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)N=C1Br	REAL250004593634	0	25	-1.0	-40.12	248.53	0.60	-39.52
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)N=C1Br	REAL250004593634	1	25	-1.0	-40.07	248.47	0.59	-39.48
CN(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004593635	0	33	-1.0	-35.30	291.97	2.50	-32.80
CN(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004593635	1	33	-1.0	-35.29	292.02	2.52	-32.77
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004593636	0	27	-1.0	-37.45	259.65	1.10	-36.35
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004593636	1	27	-1.0	-37.43	259.59	1.09	-36.34
COC(=O)C1=CSC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593637	0	26	-1.0	-39.23	259.62	0.89	-38.34
COC(=O)C1=CSC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593637	1	26	-1.0	-39.26	259.67	0.90	-38.36
CC(C)(C)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593638	0	34	-1.0	-36.39	283.11	1.77	-34.62
CC(C)(C)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593638	1	34	-1.0	-36.42	283.06	1.76	-34.66
N#CC1=CC=C(C2=C(C(=O)NCC3=NN=N[N-]3)N=CO2)C=C1	REAL250004593639	0	30	-1.0	-41.29	287.80	0.04	-41.25
N#CC1=CC=C(C2=C(C(=O)NCC3=N[N-]N=N3)N=CO2)C=C1	REAL250004593639	1	30	-1.0	-41.32	287.74	0.02	-41.30
COC1CC(CC(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004593640	0	36	-1.0	-38.06	292.50	1.13	-36.93
COC1CC(CC(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004593640	1	36	-1.0	-38.05	292.55	1.14	-36.91
O=C(NCC1=N[N-]N=N1)C12CCCN1C(=O)CCCC2	REAL250004593641	0	37	-1.0	-42.84	283.08	1.75	-41.09
O=C(NCC1=NN=N[N-]1)C12CCCN1C(=O)CCCC2	REAL250004593641	1	37	-1.0	-42.82	283.14	1.77	-41.05
O=C(NCC1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL250004593642	0	30	-1.0	-37.84	264.88	2.32	-35.52
O=C(NCC1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL250004593642	1	30	-1.0	-37.85	264.94	2.33	-35.52
O=C(NCC1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL250004593643	0	30	-1.0	-34.54	253.58	2.18	-32.36
O=C(NCC1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL250004593643	1	30	-1.0	-34.57	253.64	2.20	-32.37
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=N[N-]N=N1	REAL250004593644	0	34	-1.0	-40.32	286.91	2.51	-37.81
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=NN=N[N-]1	REAL250004593644	1	34	-1.0	-40.29	286.97	2.53	-37.76
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL250004593645	0	41	-1.0	-34.99	289.39	3.48	-31.51
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL250004593645	1	41	-1.0	-34.98	289.44	3.50	-31.48
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004593646	0	29	-1.0	-43.20	272.36	0.23	-42.97
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004593646	1	29	-1.0	-43.16	272.42	0.24	-42.92
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004593647	0	34	-1.0	-44.90	286.60	0.17	-44.73
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004593647	1	34	-1.0	-44.96	286.65	0.19	-44.77
CCC1=CC=C(C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004593648	0	28	-1.0	-36.37	267.06	1.70	-34.67
CCC1=CC=C(C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004593648	1	28	-1.0	-36.42	267.11	1.72	-34.70
O=C(NCC1=N[N-]N=N1)C1=CC(C2CCCC2)=NN1	REAL250004593649	0	33	-1.0	-34.79	277.93	0.79	-34.00
O=C(NCC1=NN=N[N-]1)C1=CC(C2CCCC2)=NN1	REAL250004593649	1	33	-1.0	-34.81	277.98	0.81	-34.00
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL250004593650	0	31	-1.0	-38.00	265.62	0.40	-37.60
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL250004593650	1	31	-1.0	-38.03	265.68	0.41	-37.62
O=C(NCC1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL250004593651	0	30	-1.0	-36.93	260.87	-2.10	-39.03
O=C(NCC1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL250004593651	1	30	-1.0	-36.94	260.92	-2.08	-39.02
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NC=C1C(F)F	REAL250004593652	0	28	-1.0	-38.89	258.78	0.93	-37.96
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NC=C1C(F)F	REAL250004593652	1	28	-1.0	-38.90	258.84	0.95	-37.95
O=C(NCC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL250004593653	0	31	-1.0	-42.15	281.11	-0.49	-42.64
O=C(NCC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL250004593653	1	31	-1.0	-42.15	281.17	-0.48	-42.63
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593654	0	32	-1.0	-41.86	277.55	-0.77	-42.63
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593654	1	32	-1.0	-41.85	277.49	-0.79	-42.64
O=C(NCC1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004593655	0	27	-1.0	-44.61	266.24	0.44	-44.17
O=C(NCC1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004593655	1	27	-1.0	-44.64	266.18	0.43	-44.21
COC1=CC=CC=C1OC(C)C(=O)NCC1=N[N-]N=N1	REAL250004593656	0	34	-1.0	-42.19	291.78	2.14	-40.05
COC1=CC=CC=C1OC(C)C(=O)NCC1=NN=N[N-]1	REAL250004593656	1	34	-1.0	-42.19	291.84	2.16	-40.03
CC1=C(Cl)C=NN1CC(=O)NCC1=N[N-]N=N1	REAL250004593657	0	26	-1.0	-39.18	253.65	0.28	-38.90
CC1=C(Cl)C=NN1CC(=O)NCC1=NN=N[N-]1	REAL250004593657	1	26	-1.0	-39.19	253.71	0.30	-38.89
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL250004593658	0	37	-1.0	-43.14	315.58	0.13	-43.01
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL250004593658	1	37	-1.0	-43.17	315.64	0.14	-43.03
CCC1=C(C(=O)NCC2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004593659	0	32	-1.0	-37.53	287.93	3.02	-34.51
O=C(NCC1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL250004593660	0	35	-1.0	-37.73	290.15	0.58	-37.15
O=C(NCC1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL250004593660	1	35	-1.0	-37.76	290.20	0.59	-37.17
CC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004593661	0	28	-1.0	-39.99	260.24	2.50	-37.49
CC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004593661	1	28	-1.0	-40.00	260.30	2.52	-37.48
CN1N=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004593662	0	28	-1.0	-50.01	254.40	-0.10	-50.11
CN1N=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004593662	1	28	-1.0	-50.01	254.35	-0.11	-50.12
O=C(NCC1=NN=N[N-]1)C1=CN=C2OCCCC2=C1	REAL250004593663	0	30	-1.0	-39.40	260.37	-1.25	-40.65
O=C(NCC1=N[N-]N=N1)C1=CN=C2OCCCC2=C1	REAL250004593663	1	30	-1.0	-39.44	260.32	-1.26	-40.70
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004593664	0	28	-1.0	-36.56	265.47	0.48	-36.08
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004593664	1	28	-1.0	-36.58	265.52	0.49	-36.09
O=C(NCC1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL250004593665	0	32	-1.0	-34.25	289.34	3.63	-30.62
O=C(NCC1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL250004593665	1	32	-1.0	-34.22	289.39	3.65	-30.57
CC1=CC2=C(C=C(C(=O)NCC3=N[N-]N=N3)S2)S1	REAL250004593666	0	26	-1.0	-36.96	262.69	2.54	-34.42
CC1=CC2=C(C=C(C(=O)NCC3=NN=N[N-]3)S2)S1	REAL250004593666	1	26	-1.0	-36.96	262.75	2.55	-34.41
O=C(NCC1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL250004593667	0	31	-1.0	-37.67	267.18	3.48	-34.19
O=C(NCC1=NN=N[N-]1)C1CC=CC2=CC=CC=C21	REAL250004593667	1	31	-1.0	-37.64	267.23	3.49	-34.15
O=C(NCC1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL250004593668	0	28	-1.0	-38.00	247.42	1.61	-36.39
O=C(NCC1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL250004593668	1	28	-1.0	-38.01	247.36	1.59	-36.42
COC(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(F)C=N1	REAL250004593669	0	28	-1.0	-38.68	267.17	0.19	-38.49
COC(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(F)C=N1	REAL250004593669	1	28	-1.0	-38.71	267.11	0.18	-38.53
CC1=CC2=C(OCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593670	0	31	-1.0	-42.68	267.90	2.66	-40.02
CC1=CC2=C(OCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593670	1	31	-1.0	-42.64	267.96	2.68	-39.96
O=C(NCC1=NN=N[N-]1)C1=C2SC=CC2=CN=C1	REAL250004593671	0	25	-1.0	-39.33	241.33	0.85	-38.48
O=C(NCC1=N[N-]N=N1)C1=C2SC=CC2=CN=C1	REAL250004593671	1	25	-1.0	-39.33	241.27	0.84	-38.49
COC1CC2(C1)CC(C(=O)NCC1=N[N-]N=N1)C2	REAL250004593672	0	34	-1.0	-36.42	285.23	1.06	-35.36
COC1CC2(C1)CC(C(=O)NCC1=NN=N[N-]1)C2	REAL250004593672	1	34	-1.0	-36.43	285.29	1.07	-35.36
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL250004593673	0	39	-1.0	-37.98	327.56	3.40	-34.58
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL250004593673	1	39	-1.0	-37.96	327.62	3.42	-34.54
O=C(CC1CCCNC(=O)C1)NCC1=N[N-]N=N1	REAL250004593674	0	33	-1.0	-47.49	268.43	-1.22	-48.71
O=C(CC1CCCNC(=O)C1)NCC1=NN=N[N-]1	REAL250004593674	1	33	-1.0	-47.49	268.49	-1.21	-48.70
CC12CC(C(=O)NCC3=N[N-]N=N3)(CO1)CCC2	REAL250004593675	0	34	-1.0	-35.34	268.09	0.50	-34.84
CC12CC(C(=O)NCC3=NN=N[N-]3)(CO1)CCC2	REAL250004593675	1	34	-1.0	-35.33	268.14	0.51	-34.82
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004593676	0	39	-1.0	-36.49	310.56	4.81	-31.68
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004593676	1	39	-1.0	-36.53	310.63	4.83	-31.70
CN1C=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004593677	0	29	-1.0	-49.04	259.50	2.75	-46.29
CN1C=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004593677	1	29	-1.0	-49.04	259.45	2.73	-46.31
O=C(NCC1=N[N-]N=N1)C12CCCCC1C2(F)F	REAL250004593678	0	30	-1.0	-35.91	252.77	2.06	-33.85
O=C(NCC1=NN=N[N-]1)C12CCCCC1C2(F)F	REAL250004593678	1	30	-1.0	-35.90	252.82	2.08	-33.82
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL250004593679	0	33	-1.0	-34.89	299.00	2.30	-32.59
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=NN1C1CCCC1	REAL250004593679	1	33	-1.0	-34.87	298.95	2.28	-32.59
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=NN1	REAL250004593680	0	29	-1.0	-38.37	269.67	-0.42	-38.79
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=NN1	REAL250004593680	1	29	-1.0	-38.39	269.73	-0.41	-38.80
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004593681	0	23	-1.0	-33.36	246.19	-2.40	-35.76
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004593681	1	23	-1.0	-33.37	246.13	-2.41	-35.78
O=C(NCC1=N[N-]N=N1)C1=C(C2CCOCC2)ON=C1	REAL250004593684	0	33	-1.0	-34.63	282.52	0.39	-34.24
O=C(NCC1=NN=N[N-]1)C1=C(C2CCOCC2)ON=C1	REAL250004593684	1	33	-1.0	-34.64	282.58	0.41	-34.23
CP(C)(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593686	0	32	-1.0	-44.84	291.61	0.82	-44.02
CP(C)(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593686	1	32	-1.0	-44.79	291.67	0.83	-43.96
CN1C=NC2=C1CCCC2C(=O)NCC1=N[N-]N=N1	REAL250004593687	0	33	-1.0	-45.29	275.45	3.09	-42.20
CN1C=NC2=C1CCCC2C(=O)NCC1=NN=N[N-]1	REAL250004593687	1	33	-1.0	-45.27	275.51	3.11	-42.16
CN=S(C)(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593688	0	33	-1.0	-43.98	299.71	-1.34	-45.32
CN=S(C)(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593688	1	33	-1.0	-43.97	299.76	-1.33	-45.30
CC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL250004593689	0	38	-1.0	-39.18	312.05	2.46	-36.72
CC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL250004593689	1	38	-1.0	-39.18	312.10	2.47	-36.71
CCCSC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593690	0	33	-1.0	-37.94	294.71	3.90	-34.04
CCCSC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593690	1	33	-1.0	-37.93	294.76	3.92	-34.01
COC1=CC=C2C(=C1)CCCC2C(=O)NCC1=N[N-]N=N1	REAL250004593691	0	37	-1.0	-38.22	302.88	3.02	-35.20
COC1=CC=C2C(=C1)CCCC2C(=O)NCC1=NN=N[N-]1	REAL250004593691	1	37	-1.0	-38.24	302.94	3.03	-35.21
COC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593692	0	26	-1.0	-38.30	253.55	-1.37	-39.67
COC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593692	1	26	-1.0	-38.30	253.49	-1.39	-39.69
CCCCSC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593693	0	36	-1.0	-37.80	316.20	4.68	-33.12
CCCCSC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593693	1	36	-1.0	-37.78	316.26	4.70	-33.08
CC1=NC=NC2=C1CC(C(=O)NCC1=N[N-]N=N1)CC2	REAL250004593694	0	34	-1.0	-36.48	282.38	2.12	-34.36
CC1=NC=NC2=C1CC(C(=O)NCC1=NN=N[N-]1)CC2	REAL250004593694	1	34	-1.0	-36.51	282.44	2.14	-34.37
CC(C)N(C)C(=O)CCC(=O)NCC1=N[N-]N=N1	REAL250004593695	0	35	-1.0	-38.93	291.55	0.72	-38.21
CC(C)N(C)C(=O)CCC(=O)NCC1=NN=N[N-]1	REAL250004593695	1	35	-1.0	-38.94	291.61	0.74	-38.20
CC1C(=O)N(CC(=O)NCC2=N[N-]N=N2)C(=O)C1C	REAL250004593696	0	32	-1.0	-44.45	277.47	0.00	-44.45
CC1C(=O)N(CC(=O)NCC2=NN=N[N-]2)C(=O)C1C	REAL250004593696	1	32	-1.0	-44.45	277.52	0.01	-44.44
O=C(NCC1=N[N-]N=N1)C1CCC(OC(F)(F)F)CC1	REAL250004593697	0	33	-1.0	-37.37	279.22	0.83	-36.54
O=C(NCC1=NN=N[N-]1)C1CCC(OC(F)(F)F)CC1	REAL250004593697	1	33	-1.0	-37.37	279.28	0.85	-36.52
O=C(CC1=CSC(Cl)=C1)NCC1=N[N-]N=N1	REAL250004593698	0	23	-1.0	-36.09	243.21	1.48	-34.61
O=C(CC1=CSC(Cl)=C1)NCC1=NN=N[N-]1	REAL250004593698	1	23	-1.0	-36.09	243.27	1.49	-34.60
CC(C)OC1=CC=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593699	0	33	-1.0	-40.63	285.08	3.40	-37.23
CC(C)OC1=CC=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593699	1	33	-1.0	-40.63	285.14	3.41	-37.22
COC1=NC=C(C(=O)NCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004593700	0	28	-1.0	-37.10	259.73	-3.16	-40.26
COC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004593700	1	28	-1.0	-37.12	259.78	-3.15	-40.27
CC(CC(=O)NCC1=N[N-]N=N1)CC(F)(F)F	REAL250004593701	0	28	-1.0	-37.59	248.87	1.29	-36.30
CC(CC(=O)NCC1=NN=N[N-]1)CC(F)(F)F	REAL250004593701	1	28	-1.0	-37.60	248.93	1.31	-36.29
O=C(CC1CCC2(CCCC2)CC1)NCC1=N[N-]N=N1	REAL250004593702	0	42	-1.0	-35.69	313.95	4.33	-31.36
O=C(CC1CCC2(CCCC2)CC1)NCC1=NN=N[N-]1	REAL250004593702	1	42	-1.0	-35.68	314.01	4.35	-31.33
CC1COC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004593703	0	31	-1.0	-42.45	267.08	2.62	-39.83
CC1COC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004593703	1	31	-1.0	-42.42	267.14	2.64	-39.78
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004593704	0	29	-1.0	-38.58	278.89	2.28	-36.30
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004593704	1	29	-1.0	-38.55	278.84	2.27	-36.28
O=C(NCC1=N[N-]N=N1)C1=CN=C2CCOCC2=C1	REAL250004593705	0	30	-1.0	-37.43	260.50	-0.51	-37.94
O=C(NCC1=NN=N[N-]1)C1=CN=C2CCOCC2=C1	REAL250004593705	1	30	-1.0	-37.37	260.56	-0.49	-37.86
O=C(CC1COCC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL250004593706	0	34	-1.0	-37.53	281.52	1.78	-35.75
O=C(CC1COCC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL250004593706	1	34	-1.0	-37.46	281.58	1.79	-35.67
C#CC1=CC=C(OCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593707	0	29	-1.0	-39.29	272.34	3.01	-36.28
C#CC1=CC=C(OCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593707	1	29	-1.0	-39.28	272.40	3.03	-36.25
O=C(CC1CCCCCC1(F)F)NCC1=N[N-]N=N1	REAL250004593708	0	35	-1.0	-37.62	273.38	2.58	-35.04
O=C(CC1CCCCCC1(F)F)NCC1=NN=N[N-]1	REAL250004593708	1	35	-1.0	-37.60	273.44	2.59	-35.01
CC1=NOC(C(=O)NCC2=N[N-]N=N2)(C2=CC=CC=C2)C1	REAL250004593709	0	34	-1.0	-42.80	296.31	2.06	-40.74
CC1=NOC(C(=O)NCC2=NN=N[N-]2)(C2=CC=CC=C2)C1	REAL250004593709	1	34	-1.0	-42.78	296.37	2.08	-40.70
COC(=O)CC(C(=O)NCC1=N[N-]N=N1)N1CCCCC1	REAL250004593710	0	40	-1.0	-36.03	316.17	0.95	-35.08
COC(=O)CC(C(=O)NCC1=NN=N[N-]1)N1CCCCC1	REAL250004593710	1	40	-1.0	-36.06	316.23	0.96	-35.10
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593711	0	32	-1.0	-37.82	285.60	1.83	-35.99
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593711	1	32	-1.0	-37.78	285.65	1.85	-35.93
CCOC(=O)[C@H]1C[C@](F)(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593712	0	32	-1.0	-35.50	284.57	1.83	-33.67
CCOC(=O)[C@H]1C[C@](F)(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593712	1	32	-1.0	-35.52	284.62	1.85	-33.67
CC1CC(C(=O)NCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004593713	0	32	-1.0	-41.85	269.08	-1.92	-43.77
CC1CC(C(=O)NCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004593713	1	32	-1.0	-41.84	269.14	-1.91	-43.75
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004593714	0	37	-1.0	-36.48	299.56	4.80	-31.68
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004593714	1	37	-1.0	-36.48	299.62	4.82	-31.66
CC(C1CC1)N1CC(C(=O)NCC2=N[N-]N=N2)CC1=O	REAL250004593715	0	37	-1.0	-38.21	303.02	1.73	-36.48
CC(C1CC1)N1CC(C(=O)NCC2=NN=N[N-]2)CC1=O	REAL250004593715	1	37	-1.0	-38.21	303.07	1.74	-36.47
CCC1=CN2CC(C(=O)NCC3=N[N-]N=N3)CCC2=N1	REAL250004593716	0	36	-1.0	-36.88	299.59	2.72	-34.16
CCC1=CN2CC(C(=O)NCC3=NN=N[N-]3)CCC2=N1	REAL250004593716	1	36	-1.0	-36.89	299.65	2.73	-34.16
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004593717	0	36	-1.0	-38.37	314.35	5.70	-32.67
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004593717	1	36	-1.0	-38.38	314.41	5.72	-32.66
O=C(CC12CC(C1)C(=O)NC2)NCC1=N[N-]N=N1	REAL250004593718	0	31	-1.0	-40.52	259.48	-1.56	-42.08
O=C(CC12CC(C1)C(=O)NC2)NCC1=NN=N[N-]1	REAL250004593718	1	31	-1.0	-40.50	259.54	-1.55	-42.05
O=C(NCC1=N[N-]N=N1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004593719	0	28	-1.0	-41.11	261.86	1.16	-39.95
O=C(NCC1=NN=N[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004593719	1	28	-1.0	-41.07	261.92	1.18	-39.89
CC1(C)CC2=CC=CC(CC(=O)NCC3=N[N-]N=N3)=C2O1	REAL250004593720	0	37	-1.0	-40.85	313.56	3.14	-37.71
CC1(C)CC2=CC=CC(CC(=O)NCC3=NN=N[N-]3)=C2O1	REAL250004593720	1	37	-1.0	-40.86	313.62	3.16	-37.70
CN1C=NC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C1=O	REAL250004593721	0	31	-1.0	-46.30	278.09	1.93	-44.37
CN1C=NC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C1=O	REAL250004593721	1	31	-1.0	-46.33	278.03	1.92	-44.41
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCC1=N[N-]N=N1	REAL250004593722	0	36	-1.0	-36.38	303.69	-1.00	-37.38
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCC1=NN=N[N-]1	REAL250004593722	1	36	-1.0	-36.39	303.75	-0.99	-37.38
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004593723	0	23	-1.0	-32.16	250.29	2.30	-29.86
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004593723	1	23	-1.0	-32.15	250.35	2.32	-29.83
O=C(NCC1=NN=N[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004593724	0	30	-1.0	-42.25	271.57	-2.13	-44.38
O=C(NCC1=N[N-]N=N1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004593724	1	30	-1.0	-42.27	271.51	-2.15	-44.42
CC1CCC(OCCCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004593725	0	42	-1.0	-37.65	333.86	3.16	-34.49
CC1CCC(OCCCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004593725	1	42	-1.0	-37.61	333.93	3.17	-34.44
O=C(CC1CC2=CC=CC=C2NC1=O)NCC1=N[N-]N=N1	REAL250004593726	0	34	-1.0	-44.55	289.65	2.22	-42.33
O=C(CC1CC2=CC=CC=C2NC1=O)NCC1=NN=N[N-]1	REAL250004593726	1	34	-1.0	-44.54	289.71	2.24	-42.30
CC1(C)C(=O)NC2CCC(C(=O)NCC3=N[N-]N=N3)CC21	REAL250004593727	0	40	-1.0	-38.26	313.59	-0.28	-38.54
CC1(C)C(=O)NC2CCC(C(=O)NCC3=NN=N[N-]3)CC21	REAL250004593727	1	40	-1.0	-38.25	313.65	-0.26	-38.51
O=C(NCC1=NN=N[N-]1)C1=CC=C2SN=CC2=C1	REAL250004593728	0	25	-1.0	-35.78	243.21	1.44	-34.34
O=C(NCC1=N[N-]N=N1)C1=CC=C2SN=CC2=C1	REAL250004593728	1	25	-1.0	-35.80	243.15	1.43	-34.37
CN1C=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2C1=O	REAL250004593729	0	31	-1.0	-43.38	277.76	1.95	-41.43
CN1C=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2C1=O	REAL250004593729	1	31	-1.0	-43.34	277.70	1.94	-41.40
O=C(CC1CCCCC1(F)F)NCC1=N[N-]N=N1	REAL250004593730	0	32	-1.0	-35.22	265.98	2.25	-32.97
O=C(CC1CCCCC1(F)F)NCC1=NN=N[N-]1	REAL250004593730	1	32	-1.0	-35.21	266.04	2.26	-32.95
CN1N=CC=C1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593731	0	33	-1.0	-38.78	286.85	2.23	-36.55
CN1N=CC=C1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593731	1	33	-1.0	-38.79	286.79	2.22	-36.57
O=C(NCC1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL250004593732	0	33	-1.0	-41.08	271.59	-1.66	-42.74
O=C(NCC1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL250004593732	1	33	-1.0	-41.08	271.65	-1.65	-42.73
O=C(NCC1=N[N-]N=N1)C1CCCC2=NC=CC=C21	REAL250004593733	0	32	-1.0	-37.24	268.49	1.91	-35.33
O=C(NCC1=NN=N[N-]1)C1CCCC2=NC=CC=C21	REAL250004593733	1	32	-1.0	-37.23	268.55	1.92	-35.31
CN1C=C(SCC(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593734	0	27	-1.0	-39.71	259.95	0.23	-39.48
CN1C=C(SCC(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593734	1	27	-1.0	-39.71	259.90	0.22	-39.49
O=C(CCC1=C(F)C=CC=C1Cl)NCC1=N[N-]N=N1	REAL250004593735	0	29	-1.0	-37.96	276.94	3.18	-34.78
O=C(CCC1=C(F)C=CC=C1Cl)NCC1=NN=N[N-]1	REAL250004593735	1	29	-1.0	-37.98	277.00	3.19	-34.79
CN1C=C(C(=O)NCC2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL250004593736	0	30	-1.0	-42.56	282.91	3.42	-39.14
CN1C=C(C(=O)NCC2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL250004593736	1	30	-1.0	-42.55	282.97	3.44	-39.11
O=C(CC1CC2(CCC2)CO1)NCC1=N[N-]N=N1	REAL250004593737	0	34	-1.0	-39.10	279.64	1.74	-37.36
O=C(CC1CC2(CCC2)CO1)NCC1=NN=N[N-]1	REAL250004593737	1	34	-1.0	-39.11	279.70	1.75	-37.36
CC1=CN2C=C(C(=O)NCC3=N[N-]N=N3)C=CC2=N1	REAL250004593738	0	29	-1.0	-37.55	259.80	2.40	-35.15
CC1=CN2C=C(C(=O)NCC3=NN=N[N-]3)C=CC2=N1	REAL250004593738	1	29	-1.0	-37.54	259.86	2.42	-35.12
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593740	0	31	-1.0	-38.44	264.42	-1.68	-40.12
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593740	1	31	-1.0	-38.45	264.47	-1.66	-40.11
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593741	0	31	-1.0	-34.91	266.78	-1.93	-36.84
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593741	1	31	-1.0	-34.90	266.84	-1.92	-36.82
[N-]=[N+]=NCC(F)(F)CCC(=O)NCC1=N[N-]N=N1	REAL250004593742	0	27	-1.0	-36.91	260.21	-2.73	-39.64
[N-]=[N+]=NCC(F)(F)CCC(=O)NCC1=NN=N[N-]1	REAL250004593742	1	27	-1.0	-36.92	260.27	-2.71	-39.63
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NCC1=N[N-]N=N1	REAL250004593743	0	32	-1.0	-40.72	294.01	-3.06	-43.78
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NCC1=NN=N[N-]1	REAL250004593743	1	32	-1.0	-40.72	294.07	-3.04	-43.76
CC1=NC(C(=O)NCC2=NN=N[N-]2)=C2C=CNC2=N1	REAL250004593744	0	28	-1.0	-42.32	255.04	0.34	-41.98
CC1=NC(C(=O)NCC2=N[N-]N=N2)=C2C=CNC2=N1	REAL250004593744	1	28	-1.0	-42.32	254.98	0.32	-42.00
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCC1=N[N-]N=N1	REAL250004593745	0	31	-1.0	-37.21	283.99	0.52	-36.69
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCC1=NN=N[N-]1	REAL250004593745	1	31	-1.0	-37.24	284.04	0.53	-36.71
CCC1=CC=CC(CC)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004593746	0	38	-1.0	-36.56	304.62	4.20	-32.36
CCC1=CC=CC(CC)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004593746	1	38	-1.0	-36.56	304.68	4.21	-32.35
CC1(C)CCCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593747	0	38	-1.0	-34.88	277.85	2.77	-32.11
CC1(C)CCCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593747	1	38	-1.0	-34.91	277.91	2.79	-32.12
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O=C(CC1=CC=CC(OCC2CC2)=C1)NCC1=NN=N[N-]1	REAL250004593748	1	37	-1.0	-39.10	319.27	3.75	-35.35
CC(C)[C@H]1CC[C@@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593749	0	38	-1.0	-36.25	286.74	3.07	-33.18
CC(C)[C@H]1CC[C@@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593749	1	38	-1.0	-36.26	286.79	3.08	-33.18
CC(C)N1C=C(C2CC2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593750	0	36	-1.0	-42.16	301.17	2.30	-39.86
CC(C)N1C=C(C2CC2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593750	1	36	-1.0	-42.12	301.11	2.28	-39.84
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NC(=O)C1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593752	0	27	-1.0	-41.67	252.47	-1.90	-43.57
NC(=O)C1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593752	1	27	-1.0	-41.62	252.52	-1.88	-43.50
CN1N=C(Br)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593753	0	22	-1.0	-37.12	231.52	-2.13	-39.25
CN1N=C(Br)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593753	1	22	-1.0	-37.16	231.46	-2.15	-39.31
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O=C(NCC1=NN=N[N-]1)C1CCOC2(CCCCC2)C1	REAL250004593755	1	40	-1.0	-35.56	302.85	2.25	-33.31
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004593756	0	35	-1.0	-38.32	294.00	4.57	-33.75
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004593756	1	35	-1.0	-38.29	294.06	4.59	-33.70
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(F)=C1F	REAL250004593757	0	27	-1.0	-34.71	253.53	0.67	-34.04
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(F)=C1F	REAL250004593757	1	27	-1.0	-34.72	253.59	0.69	-34.03
COC1=CC2=CC=CN=C2C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593758	0	32	-1.0	-46.22	280.11	1.37	-44.85
COC1=CC2=CC=CN=C2C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593758	1	32	-1.0	-46.25	280.05	1.35	-44.90
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O=C(CC1CCC(=O)NC1=O)NCC1=NN=N[N-]1	REAL250004593759	1	29	-1.0	-46.84	252.99	-1.10	-47.94
CC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=N1	REAL250004593760	0	34	-1.0	-37.17	298.49	2.51	-34.66
CC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=N1	REAL250004593760	1	34	-1.0	-37.17	298.43	2.49	-34.68
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O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2=NNC=C2)=C1	REAL250004593761	1	30	-1.0	-44.76	270.45	1.28	-43.48
CC1=CC=CC2=C(C(=O)NCC3=NN=N[N-]3)NN=C21	REAL250004593762	0	29	-1.0	-37.61	260.11	0.58	-37.03
CC1=CC=CC2=C(C(=O)NCC3=N[N-]N=N3)NN=C21	REAL250004593762	1	29	-1.0	-37.63	260.06	0.57	-37.06
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CC1=CC=CC=C1C1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004593764	0	32	-1.0	-38.10	290.47	2.91	-35.19
CC1=CC=CC=C1C1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004593764	1	32	-1.0	-38.10	290.41	2.90	-35.20
CC(F)(F)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593765	0	28	-1.0	-37.45	262.97	1.31	-36.14
CC(F)(F)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593765	1	28	-1.0	-37.47	262.92	1.30	-36.17
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004593766	0	29	-1.0	-36.25	265.78	2.89	-33.36
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004593766	1	29	-1.0	-36.26	265.84	2.91	-33.35
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004593767	0	35	-1.0	-39.77	308.73	3.90	-35.87
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004593767	1	35	-1.0	-39.73	308.79	3.92	-35.81
O=C(NCC1=N[N-]N=N1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004593768	0	26	-1.0	-35.89	263.39	2.17	-33.72
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CCCN1C=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593770	0	29	-1.0	-41.89	275.18	1.15	-40.74
CCCN1C=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593770	1	29	-1.0	-41.87	275.12	1.14	-40.73
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004593771	0	28	-1.0	-37.90	257.84	1.06	-36.84
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004593771	1	28	-1.0	-37.88	257.90	1.07	-36.81
COC(=O)C1CCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593772	0	32	-1.0	-41.15	274.41	1.43	-39.72
COC(=O)C1CCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593772	1	32	-1.0	-41.15	274.47	1.45	-39.70
CNC1=C(C(=O)NCC2=NN=N[N-]2)SC2=NC=CN=C21	REAL250004593773	0	29	-1.0	-41.59	273.20	-1.98	-43.57
CNC1=C(C(=O)NCC2=N[N-]N=N2)SC2=NC=CN=C21	REAL250004593773	1	29	-1.0	-41.60	273.14	-1.99	-43.59
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004593774	0	35	-1.0	-38.18	312.79	3.88	-34.30
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004593774	1	35	-1.0	-38.20	312.74	3.87	-34.33
O=C(NCC1=NN=N[N-]1)C1(C2=NC=CC=C2F)CC1	REAL250004593775	0	29	-1.0	-39.87	268.54	1.37	-38.50
O=C(NCC1=N[N-]N=N1)C1(C2=NC=CC=C2F)CC1	REAL250004593775	1	29	-1.0	-39.85	268.48	1.35	-38.50
NC(=O)C1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593776	0	27	-1.0	-48.60	250.58	-1.88	-50.48
NC(=O)C1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593776	1	27	-1.0	-48.56	250.64	-1.86	-50.42
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O=C(NCC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004593777	1	33	-1.0	-35.59	290.15	3.98	-31.61
[N-]=[N+]=NC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)C2	REAL250004593778	0	32	-1.0	-34.50	273.58	-1.65	-36.15
[N-]=[N+]=NC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)C2	REAL250004593778	1	32	-1.0	-34.51	273.63	-1.64	-36.15
CC1=CC(C(F)(F)C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004593779	0	26	-1.0	-34.58	258.67	1.82	-32.76
CC1=CC(C(F)(F)C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004593779	1	26	-1.0	-34.60	258.61	1.80	-32.80
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593780	0	29	-1.0	-35.78	273.73	0.87	-34.91
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593780	1	29	-1.0	-35.79	273.79	0.88	-34.91
[N-]=[N+]=NCCCCCCC(=O)NCC1=N[N-]N=N1	REAL250004593781	0	33	-1.0	-36.72	292.30	-1.30	-38.02
[N-]=[N+]=NCCCCCCC(=O)NCC1=NN=N[N-]1	REAL250004593781	1	33	-1.0	-36.72	292.36	-1.28	-38.00
[N-]=[N+]=NCC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593782	0	28	-1.0	-37.52	263.09	-1.48	-39.00
[N-]=[N+]=NCC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593782	1	28	-1.0	-37.49	263.15	-1.47	-38.96
[N-]=[N+]=NCCCCCCCCCC(=O)NCC1=N[N-]N=N1	REAL250004593783	0	42	-1.0	-37.04	356.80	1.05	-35.99
[N-]=[N+]=NCCCCCCCCCC(=O)NCC1=NN=N[N-]1	REAL250004593783	1	42	-1.0	-37.11	356.86	1.06	-36.05
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004593784	0	25	-1.0	-32.05	253.92	0.94	-31.11
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004593784	1	25	-1.0	-32.04	253.87	0.92	-31.12
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL250004593785	0	28	-1.0	-37.94	259.10	-0.11	-38.05
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL250004593785	1	28	-1.0	-37.96	259.16	-0.09	-38.05
CN1C=C(C(F)(F)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593786	0	26	-1.0	-37.38	250.32	-0.16	-37.54
CN1C=C(C(F)(F)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593786	1	26	-1.0	-37.41	250.26	-0.18	-37.59
CC1(C(=O)NCC2=N[N-]N=N2)CCCCNC1=O	REAL250004593787	0	33	-1.0	-35.58	256.70	-0.92	-36.50
CC1(C(=O)NCC2=NN=N[N-]2)CCCCNC1=O	REAL250004593787	1	33	-1.0	-35.52	256.75	-0.90	-36.42
CCNC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593788	0	38	-1.0	-41.35	308.27	0.06	-41.29
CCNC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593788	1	38	-1.0	-41.40	308.33	0.07	-41.33
COC1=CC([C@@H](C)CC(=O)NCC2=N[N-]N=N2)=CC=C1C	REAL250004593789	0	39	-1.0	-36.85	320.60	3.20	-33.65
COC1=CC([C@@H](C)CC(=O)NCC2=NN=N[N-]2)=CC=C1C	REAL250004593789	1	39	-1.0	-36.81	320.65	3.21	-33.60
C#CC1=CC=CC(OCC(=O)NCC2=N[N-]N=N2)=C1	REAL250004593790	0	29	-1.0	-40.87	272.36	3.01	-37.86
C#CC1=CC=CC(OCC(=O)NCC2=NN=N[N-]2)=C1	REAL250004593790	1	29	-1.0	-40.86	272.41	3.02	-37.84
O=C(C=CC1=CC=C2CCOCC2=C1)NCC1=N[N-]N=N1	REAL250004593791	0	35	-1.0	-38.24	299.83	2.51	-35.73
O=C(C=CC1=CC=C2CCOCC2=C1)NCC1=NN=N[N-]1	REAL250004593791	1	35	-1.0	-38.26	299.88	2.52	-35.74
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL250004593792	0	39	-1.0	-37.37	323.35	2.84	-34.53
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL250004593792	1	39	-1.0	-37.34	323.41	2.86	-34.48
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004593793	0	39	-1.0	-38.81	331.45	3.50	-35.31
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004593793	1	39	-1.0	-38.82	331.40	3.49	-35.33
CC(C)(C(=O)NCC1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004593794	0	36	-1.0	-43.45	302.58	2.66	-40.79
CC(C)(C(=O)NCC1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004593794	1	36	-1.0	-43.47	302.64	2.67	-40.80
O=C(NCC1=N[N-]N=N1)C1CC2CCCCCCC21	REAL250004593795	0	39	-1.0	-35.40	287.62	3.43	-31.97
O=C(NCC1=NN=N[N-]1)C1CC2CCCCCCC21	REAL250004593795	1	39	-1.0	-35.36	287.68	3.44	-31.92
O=C(NCC1=N[N-]N=N1)C1=NN2CC3(CC3)CC2=C1	REAL250004593796	0	31	-1.0	-42.25	272.93	1.17	-41.08
O=C(NCC1=NN=N[N-]1)C1=NN2CC3(CC3)CC2=C1	REAL250004593796	1	31	-1.0	-42.26	272.99	1.18	-41.08
COC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)C2	REAL250004593797	0	34	-1.0	-36.09	275.99	0.53	-35.56
COC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)C2	REAL250004593797	1	34	-1.0	-36.10	276.04	0.55	-35.55
O=C(CC1=CC=C2OC=NC2=C1)NCC1=N[N-]N=N1	REAL250004593798	0	28	-1.0	-42.70	257.91	-1.17	-43.87
O=C(CC1=CC=C2OC=NC2=C1)NCC1=NN=N[N-]1	REAL250004593798	1	28	-1.0	-42.71	257.97	-1.16	-43.87
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593799	0	29	-1.0	-36.56	271.62	1.28	-35.28
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593799	1	29	-1.0	-36.59	271.67	1.29	-35.30
CC1=C(C(=O)NCC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004593800	0	29	-1.0	-41.18	263.46	2.09	-39.09
CC1=C(C(=O)NCC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004593800	1	29	-1.0	-41.16	263.40	2.07	-39.09
CC(C)CC1=NC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004593801	0	33	-1.0	-37.57	286.40	1.26	-36.31
CC(C)CC1=NC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004593801	1	33	-1.0	-37.55	286.46	1.28	-36.27
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CCC1=C(C(=O)NCC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004593806	0	32	-1.0	-41.24	284.94	2.82	-38.42
CCC1=C(C(=O)NCC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004593806	1	32	-1.0	-41.27	284.89	2.81	-38.46
CC1=CC(F)=CC=C1C1(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593807	0	33	-1.0	-36.27	287.09	3.60	-32.67
CC1=CC(F)=CC=C1C1(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593807	1	33	-1.0	-36.21	287.15	3.62	-32.59
CC1=CC=C(F)C=C1C1(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593808	0	33	-1.0	-36.48	288.85	3.59	-32.89
CC1=CC=C(F)C=C1C1(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593808	1	33	-1.0	-36.46	288.91	3.60	-32.86
O=C(NCC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004593809	0	32	-1.0	-39.61	290.78	3.61	-36.00
O=C(NCC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004593809	1	32	-1.0	-39.60	290.84	3.62	-35.98
COC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004593810	0	32	-1.0	-43.01	284.74	0.74	-42.27
COC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004593810	1	32	-1.0	-43.01	284.68	0.72	-42.29
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=N[N-]N=N1)C(C)C	REAL250004593811	0	35	-1.0	-44.17	292.75	2.30	-41.87
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=NN=N[N-]1)C(C)C	REAL250004593811	1	35	-1.0	-44.15	292.81	2.32	-41.83
CC1CC(C)(C(=O)NCC2=N[N-]N=N2)CC(C)O1	REAL250004593812	0	36	-1.0	-36.00	283.61	1.03	-34.97
CC1CC(C)(C(=O)NCC2=NN=N[N-]2)CC(C)O1	REAL250004593812	1	36	-1.0	-35.96	283.67	1.05	-34.91
COCCN1C=CC=C(C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004593813	0	33	-1.0	-59.69	287.02	0.88	-58.81
COCCN1C=CC=C(C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004593813	1	33	-1.0	-59.68	287.08	0.90	-58.78
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CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004593816	0	29	-1.0	-34.77	266.26	2.50	-32.27
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004593816	1	29	-1.0	-34.73	266.20	2.48	-32.25
O=C(NCC1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL250004593817	0	33	-1.0	-54.92	277.74	2.21	-52.71
O=C(NCC1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250004593817	1	33	-1.0	-54.90	277.80	2.22	-52.68
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004593818	0	26	-1.0	-36.30	256.79	2.07	-34.23
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O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004593818	1	26	-1.0	-36.30	256.79	2.07	-34.23
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O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004593819	1	26	-1.0	-39.82	256.73	2.09	-37.73
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004593819	1	26	-1.0	-39.81	256.67	2.08	-37.73
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL250004593820	0	32	-1.0	-36.09	277.04	2.97	-33.12
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL250004593820	1	32	-1.0	-36.10	277.09	2.99	-33.11
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O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NCC1=N[N-]N=N1	REAL250004593821	1	34	-1.0	-45.37	295.69	2.30	-43.07
CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=N[N-]N=N1	REAL250004593822	0	34	-1.0	-40.69	285.60	0.80	-39.89
CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=NN=N[N-]1	REAL250004593822	1	34	-1.0	-40.73	285.65	0.81	-39.92
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004593823	0	25	-1.0	-39.15	262.37	1.19	-37.96
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004593823	1	25	-1.0	-39.16	262.31	1.18	-37.98
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COC1=C2NC=C(CC(=O)NCC3=N[N-]N=N3)C2=CC=C1	REAL250004593825	0	34	-1.0	-41.87	297.62	1.26	-40.61
COC1=C2NC=C(CC(=O)NCC3=NN=N[N-]3)C2=CC=C1	REAL250004593825	1	34	-1.0	-41.86	297.68	1.28	-40.58
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COC(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004593827	0	35	-1.0	-39.76	307.70	3.05	-36.71
COC(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004593827	1	35	-1.0	-39.75	307.75	3.06	-36.69
O=C(NCC1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL250004593828	0	30	-1.0	-36.64	273.19	-0.06	-36.70
O=C(NCC1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL250004593828	1	30	-1.0	-36.69	273.25	-0.05	-36.74
CS(C)(=O)=NC1=CC=NC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004593829	0	32	-1.0	-56.41	289.63	-2.14	-58.55
CS(C)(=O)=NC1=CC=NC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004593829	1	32	-1.0	-56.39	289.69	-2.12	-58.51
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=C1CCCC2	REAL250004593830	0	34	-1.0	-37.43	279.90	2.12	-35.31
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=C1CCCC2	REAL250004593830	1	34	-1.0	-37.43	279.96	2.14	-35.29
O=C(NCC1=N[N-]N=N1)C1=CC(CC2CCC2)=CN1	REAL250004593831	0	34	-1.0	-37.44	290.21	2.57	-34.87
O=C(NCC1=NN=N[N-]1)C1=CC(CC2CCC2)=CN1	REAL250004593831	1	34	-1.0	-37.40	290.26	2.58	-34.82
COC(=O)C1=CSC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL250004593832	0	29	-1.0	-40.64	282.61	1.71	-38.93
COC(=O)C1=CSC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL250004593832	1	29	-1.0	-40.66	282.67	1.73	-38.93
COC(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004593833	0	32	-1.0	-42.07	295.55	2.60	-39.47
COC(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004593833	1	32	-1.0	-42.11	295.61	2.63	-39.48
CCCCN1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004593834	0	31	-1.0	-41.65	277.25	-0.03	-41.68
CCCCN1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004593834	1	31	-1.0	-41.64	277.19	-0.04	-41.68
C[C@H]1C(=O)N(CC(=O)NCC2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004593835	0	32	-1.0	-43.55	277.49	-0.00	-43.55
C[C@H]1C(=O)N(CC(=O)NCC2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004593835	1	32	-1.0	-43.54	277.55	0.01	-43.53
O=C(NCC1=N[N-]N=N1)C1CCC2(CNC(=O)C2)CC1	REAL250004593836	0	37	-1.0	-43.01	293.38	-0.65	-43.66
O=C(NCC1=NN=N[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250004593836	1	37	-1.0	-43.04	293.43	-0.64	-43.68
COC(=O)[C@@H]1[C@H](C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL250004593837	0	32	-1.0	-43.03	274.09	1.48	-41.55
COC(=O)[C@@H]1[C@H](C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL250004593837	1	32	-1.0	-43.04	274.14	1.50	-41.54
O=C(NCC1=N[N-]N=N1)C1CC(C2CCOCC2)=NO1	REAL250004593838	0	35	-1.0	-41.46	295.55	0.53	-40.93
O=C(NCC1=NN=N[N-]1)C1CC(C2CCOCC2)=NO1	REAL250004593838	1	35	-1.0	-41.44	295.61	0.54	-40.90
O=C(NCC1=N[N-]N=N1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004593839	0	34	-1.0	-42.00	302.14	3.44	-38.56
O=C(NCC1=NN=N[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004593839	1	34	-1.0	-41.99	302.19	3.45	-38.54
CC1=NOC2(CC(C(=O)NCC3=N[N-]N=N3)C2)C1	REAL250004593840	0	31	-1.0	-39.47	268.78	0.42	-39.05
CC1=NOC2(CC(C(=O)NCC3=NN=N[N-]3)C2)C1	REAL250004593840	1	31	-1.0	-39.45	268.84	0.44	-39.01
O=C(NCC1=N[N-]N=N1)C1=C2CCCCC2=NNC1=O	REAL250004593842	0	32	-1.0	-44.61	266.24	-0.50	-45.11
O=C(NCC1=NN=N[N-]1)C1=C2CCCCC2=NNC1=O	REAL250004593842	1	32	-1.0	-44.58	266.30	-0.48	-45.06
CC(C)CC1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004593843	0	31	-1.0	-38.24	273.62	1.44	-36.80
CC(C)CC1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004593843	1	31	-1.0	-38.24	273.68	1.45	-36.79
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)S1	REAL250004593844	0	33	-1.0	-37.75	294.75	-0.03	-37.78
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)S1	REAL250004593844	1	33	-1.0	-37.73	294.81	-0.01	-37.74
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O=C(NCC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250004593845	1	28	-1.0	-35.11	261.25	-0.18	-35.29
O=C(NCC1=N[N-]N=N1)C1=CN=C2COCCC2=C1	REAL250004593846	0	30	-1.0	-37.17	260.52	-0.49	-37.66
O=C(NCC1=NN=N[N-]1)C1=CN=C2COCCC2=C1	REAL250004593846	1	30	-1.0	-37.17	260.57	-0.48	-37.65
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593847	0	31	-1.0	-33.91	273.72	3.28	-30.63
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593847	1	31	-1.0	-33.90	273.77	3.29	-30.61
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004593848	0	29	-1.0	-43.14	276.43	0.74	-42.40
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004593848	1	29	-1.0	-43.12	276.49	0.75	-42.37
CN1C=C(C(=O)NCC2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL250004593849	0	30	-1.0	-39.41	277.40	3.23	-36.18
CN1C=C(C(=O)NCC2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL250004593849	1	30	-1.0	-39.42	277.46	3.24	-36.18
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCC1=NN=N[N-]1	REAL250004593850	0	32	-1.0	-38.46	288.85	2.95	-35.51
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCC1=N[N-]N=N1	REAL250004593850	1	32	-1.0	-38.45	288.79	2.93	-35.52
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC2=NNC=C21	REAL250004593851	0	26	-1.0	-39.90	248.69	-0.14	-40.04
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC2=NNC=C21	REAL250004593851	1	26	-1.0	-39.90	248.63	-0.16	-40.06
O=C(NCC1=NN=N[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004593852	0	28	-1.0	-36.67	264.41	-0.06	-36.73
O=C(NCC1=N[N-]N=N1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004593852	1	28	-1.0	-36.68	264.36	-0.08	-36.76
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250004593853	0	28	-1.0	-37.40	253.85	1.80	-35.60
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC2=CN=CC=C21	REAL250004593853	1	28	-1.0	-37.44	253.79	1.79	-35.65
CN1N=NC=C1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593854	0	32	-1.0	-40.77	281.11	1.03	-39.74
CN1N=NC=C1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593854	1	32	-1.0	-40.72	281.16	1.04	-39.68
CC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004593855	0	33	-1.0	-46.31	284.32	2.00	-44.31
CC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004593855	1	33	-1.0	-46.36	284.38	2.02	-44.34
O=C(C#CC1=CC=C(F)C(F)=C1)NCC1=N[N-]N=N1	REAL250004593856	0	25	-1.0	-36.40	256.05	2.70	-33.70
O=C(C#CC1=CC=C(F)C(F)=C1)NCC1=NN=N[N-]1	REAL250004593856	1	25	-1.0	-36.15	256.11	2.72	-33.43
CC(C)(C)C1=CC=CN=C1C(=O)NCC1=NN=N[N-]1	REAL250004593857	0	34	-1.0	-40.02	269.36	1.61	-38.41
CC(C)(C)C1=CC=CN=C1C(=O)NCC1=N[N-]N=N1	REAL250004593857	1	34	-1.0	-40.01	269.31	1.60	-38.41
CC1=C(F)C=CC=C1C1(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593858	0	33	-1.0	-37.51	285.91	3.55	-33.96
CC1=C(F)C=CC=C1C1(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593858	1	33	-1.0	-37.49	285.97	3.57	-33.92
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NC1=NC(C2=COC=C2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593865	0	30	-1.0	-37.41	274.36	-0.55	-37.96
NC1=NC(C2=COC=C2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593865	1	30	-1.0	-37.39	274.30	-0.56	-37.95
CC1=C(C(N)=O)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004593866	0	30	-1.0	-43.47	256.25	-1.27	-44.74
CC1=C(C(N)=O)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004593866	1	30	-1.0	-43.47	256.31	-1.26	-44.73
CN1N=C(C(F)(F)F)C=C1CC(=O)NCC1=N[N-]N=N1	REAL250004593867	0	29	-1.0	-39.81	277.82	0.41	-39.40
CN1N=C(C(F)(F)F)C=C1CC(=O)NCC1=NN=N[N-]1	REAL250004593867	1	29	-1.0	-39.79	277.87	0.43	-39.36
CCC1=CN2CCC(C(=O)NCC3=N[N-]N=N3)CC2=N1	REAL250004593868	0	36	-1.0	-40.44	299.74	2.72	-37.72
CCC1=CN2CCC(C(=O)NCC3=NN=N[N-]3)CC2=N1	REAL250004593868	1	36	-1.0	-40.39	299.80	2.74	-37.65
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COC1=C2C(C(=O)NCC3=NN=N[N-]3)=CSC2=CC=C1	REAL250004593870	0	30	-1.0	-41.08	271.66	3.30	-37.78
COC1=C2C(C(=O)NCC3=N[N-]N=N3)=CSC2=CC=C1	REAL250004593870	1	30	-1.0	-41.01	271.60	3.28	-37.73
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O=C(NCC1=N[N-]N=N1)C1=C2C=CC=CC2=NS1	REAL250004593871	1	25	-1.0	-37.80	242.41	1.17	-36.63
CN1N=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004593872	0	28	-1.0	-50.01	254.40	-0.10	-50.11
CN1N=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004593872	1	28	-1.0	-50.01	254.35	-0.11	-50.12
CCOC1=CC=C(Cl)N=C1C(=O)NCC1=NN=N[N-]1	REAL250004593873	0	29	-1.0	-43.91	275.06	1.45	-42.46
CCOC1=CC=C(Cl)N=C1C(=O)NCC1=N[N-]N=N1	REAL250004593873	1	29	-1.0	-43.90	275.00	1.44	-42.46
COC(=O)CC1(CC(=O)NCC2=N[N-]N=N2)CC1	REAL250004593874	0	32	-1.0	-37.69	276.47	1.57	-36.12
COC(=O)CC1(CC(=O)NCC2=NN=N[N-]2)CC1	REAL250004593874	1	32	-1.0	-37.66	276.53	1.59	-36.07
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COC1=CC=C(Cl)C(F)=C1C(=O)NCC1=N[N-]N=N1	REAL250004593878	0	27	-1.0	-42.54	266.93	0.98	-41.56
COC1=CC=C(Cl)C(F)=C1C(=O)NCC1=NN=N[N-]1	REAL250004593878	1	27	-1.0	-42.55	266.99	0.99	-41.56
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O=C(NCC1=NN=N[N-]1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004593881	1	32	-1.0	-38.57	265.00	-3.34	-41.91
CC1CCCC(O)(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593882	0	36	-1.0	-34.93	273.51	0.01	-34.92
CC1CCCC(O)(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593882	1	36	-1.0	-34.95	273.56	0.02	-34.93
CC(C)(C)C1CCC(C(O)C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593883	0	45	-1.0	-34.60	325.18	1.06	-33.54
CC(C)(C)C1CCC(C(O)C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593883	1	45	-1.0	-34.58	325.24	1.08	-33.50
CCOC1=C(C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004593884	0	27	-1.0	-41.50	254.59	1.56	-39.94
CCOC1=C(C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004593884	1	27	-1.0	-41.48	254.65	1.58	-39.90
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CCC1=NNC(CC)=C1CC(=O)NCC1=NN=N[N-]1	REAL250004593886	0	35	-1.0	-39.17	294.31	0.84	-38.33
CCC1=NNC(CC)=C1CC(=O)NCC1=N[N-]N=N1	REAL250004593886	1	35	-1.0	-39.15	294.25	0.82	-38.33
CN(C)C1=NC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C2O1	REAL250004593887	0	33	-1.0	-46.55	290.70	0.05	-46.50
CN(C)C1=NC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C2O1	REAL250004593887	1	33	-1.0	-46.59	290.64	0.03	-46.56
O=C(NCC1=N[N-]N=N1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL250004593888	0	36	-1.0	-37.79	313.38	2.90	-34.89
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CCC(=CC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL250004593890	0	33	-1.0	-36.89	276.26	3.62	-33.27
CCC(=CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL250004593890	1	33	-1.0	-36.87	276.32	3.64	-33.23
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O=C(CCCC1=NN=N[N-]1)NCCCN1C(=O)CCC1=O	REAL250004593896	1	38	-1.0	-54.84	327.48	1.71	-53.13
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CCCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004593897	1	41	-1.0	-48.15	331.81	4.24	-43.91
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004593898	0	38	-1.0	-48.94	302.09	4.05	-44.89
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004593898	1	38	-1.0	-48.96	302.15	4.07	-44.89
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O=C(NC1CCCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004593899	1	36	-1.0	-55.54	296.80	3.72	-51.82
O=C(NC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593900	0	33	-1.0	-36.29	282.96	0.58	-35.71
O=C(NC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593900	1	33	-1.0	-36.30	283.03	0.59	-35.71
C[NH+]1CCC(C#N)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004593902	0	38	-1.0	-53.13	308.72	0.35	-52.78
C[NH+]1CCC(C#N)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004593902	1	38	-1.0	-53.15	308.78	0.36	-52.79
CN1CCC(C#N)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004593902	1	38	-1.0	-53.13	308.72	0.35	-52.78
CN1CCC(C#N)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004593902	1	38	-1.0	-53.15	308.78	0.36	-52.79
CCOC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004593903	0	41	-1.0	-55.04	327.87	6.10	-48.94
CCOC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004593903	1	41	-1.0	-55.05	327.93	6.11	-48.94
CS(=O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004593904	0	33	-1.0	-63.81	298.18	1.91	-61.90
CS(=O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004593904	1	33	-1.0	-63.60	298.25	1.93	-61.67
CS(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593905	0	30	-1.0	-45.55	284.02	-1.18	-46.73
CS(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593905	1	30	-1.0	-45.50	284.09	-1.17	-46.67
CC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004593906	0	34	-1.0	-58.75	296.56	1.52	-57.23
CC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004593906	1	34	-1.0	-58.77	296.62	1.53	-57.24
CC1=NN=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004593907	0	34	-1.0	-44.58	307.16	1.31	-43.27
CC1=NN=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004593907	1	34	-1.0	-44.60	307.23	1.32	-43.28
C=C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004593910	0	36	-1.0	-49.87	298.05	6.82	-43.05
C=C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004593910	1	36	-1.0	-49.64	298.15	6.84	-42.80
C=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004593911	0	33	-1.0	-35.02	277.61	4.35	-30.67
C=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004593911	1	33	-1.0	-35.00	277.68	4.35	-30.65
CCNS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004593912	0	36	-1.0	-57.28	319.18	-2.46	-59.74
CCNS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004593912	1	36	-1.0	-57.29	319.24	-2.45	-59.74
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C1	REAL250004593913	0	33	-1.0	-47.58	281.88	5.01	-42.57
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C1	REAL250004593913	1	33	-1.0	-47.61	281.94	5.03	-42.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CC=CC=C2C1	REAL250004593914	0	33	-1.0	-36.35	288.96	5.13	-31.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=CC=C2C1	REAL250004593914	1	33	-1.0	-36.33	289.02	5.14	-31.19
CCCCN(C(=O)CCCC1=N[N-]N=N1)C(C)CC	REAL250004593915	0	43	-1.0	-46.75	333.61	6.49	-40.26
CCCCN(C(=O)CCCC1=NN=N[N-]1)C(C)CC	REAL250004593915	1	43	-1.0	-46.83	333.67	6.50	-40.33
C=CC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004593916	0	33	-1.0	-50.49	292.12	-0.66	-51.15
C=CC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004593916	1	33	-1.0	-50.52	292.18	-0.64	-51.16
C=CC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593917	0	33	-1.0	-41.09	302.72	-0.86	-41.95
C=CC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593917	1	33	-1.0	-40.98	302.78	-0.85	-41.83
CC1=NNC(=O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004593918	0	37	-1.0	-53.37	314.34	0.07	-53.30
CC1=NNC(=O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004593918	1	37	-1.0	-53.40	314.39	0.08	-53.32
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004593919	0	31	-1.0	-45.43	283.91	1.47	-43.96
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004593919	1	31	-1.0	-45.44	283.97	1.49	-43.95
CC(C)C1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004593920	0	39	-1.0	-52.27	334.46	0.92	-51.35
CC(C)C1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004593920	1	39	-1.0	-52.27	334.52	0.93	-51.34
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004593921	0	36	-1.0	-50.05	303.68	2.66	-47.39
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004593921	1	36	-1.0	-50.05	303.74	2.68	-47.37
CN(CCC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004593922	0	38	-1.0	-47.47	324.24	6.41	-41.06
CN(CCC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004593922	1	38	-1.0	-47.50	324.30	6.42	-41.08
CC(CC1=CC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL250004593924	0	35	-1.0	-48.73	310.73	4.30	-44.43
CC(CC1=CC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL250004593924	1	35	-1.0	-48.69	310.79	4.32	-44.37
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CCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004593926	0	42	-1.0	-55.41	335.90	2.62	-52.79
CCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004593926	1	42	-1.0	-55.41	335.96	2.64	-52.77
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C#CC1=CC=CC(N(CC)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004593928	0	37	-1.0	-48.95	322.88	7.16	-41.79
C#CC1=CC=CC(N(CC)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004593928	1	37	-1.0	-48.97	322.94	7.17	-41.80
C#CC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004593929	0	34	-1.0	-51.64	302.44	6.28	-45.36
C#CC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004593929	1	34	-1.0	-51.64	302.50	6.29	-45.35
CN(C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004593930	0	28	-1.0	-54.08	255.76	3.56	-50.52
CN(C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004593930	1	28	-1.0	-54.04	255.70	3.55	-50.49
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL250004593931	0	28	-1.0	-39.13	263.26	3.94	-35.19
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL250004593931	1	28	-1.0	-39.12	263.20	3.93	-35.19
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CN(CC1=NC=CN1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004593936	0	35	-1.0	-65.59	298.42	4.86	-60.73
CN(CC1=NC=CN1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004593936	1	35	-1.0	-65.47	298.51	4.88	-60.59
CN(CC1=NC=CN1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593937	0	32	-1.0	-43.34	284.30	2.75	-40.59
CN(CC1=NC=CN1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593937	1	32	-1.0	-43.28	284.37	2.76	-40.52
CC1=CC=CN2C=C(CNC(=O)CCCC3=N[N-]N=N3)N=C12	REAL250004593938	0	38	-1.0	-52.64	327.28	4.57	-48.07
CC1=CC=CN2C=C(CNC(=O)CCCC3=NN=N[N-]3)N=C12	REAL250004593938	1	38	-1.0	-52.66	327.34	4.58	-48.08
CC(C)N1C=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004593939	0	37	-1.0	-50.39	314.95	3.81	-46.58
CC(C)N1C=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004593939	1	37	-1.0	-50.35	315.00	3.82	-46.53
CC(C)CN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004593940	0	43	-1.0	-46.64	327.70	6.00	-40.64
CC(C)CN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004593940	1	43	-1.0	-46.64	327.75	6.02	-40.62
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O=C(CCCC1=NN=N[N-]1)NCCCOCC1CCCO1	REAL250004593941	1	43	-1.0	-49.15	353.34	1.74	-47.41
COCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004593942	0	41	-1.0	-47.40	323.74	0.95	-46.45
COCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004593942	1	41	-1.0	-47.39	323.80	0.96	-46.43
COCCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004593945	0	42	-1.0	-53.77	345.52	2.47	-51.30
COCCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004593945	1	42	-1.0	-53.78	345.58	2.48	-51.30
COC(=O)C(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004593946	0	37	-1.0	-49.27	306.89	3.88	-45.39
COC(=O)C(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004593946	1	37	-1.0	-49.28	306.95	3.90	-45.38
CNC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004593947	0	35	-1.0	-51.10	300.28	-0.45	-51.55
CNC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004593947	1	35	-1.0	-51.10	300.34	-0.43	-51.53
CNC(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593948	0	35	-1.0	-42.24	310.88	-0.65	-42.89
CNC(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593948	1	35	-1.0	-42.21	310.94	-0.64	-42.85
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CCCN(CC(=O)OCC)C(=O)CCCC1=N[N-]N=N1	REAL250004593952	0	40	-1.0	-49.87	335.02	5.57	-44.30
CCCN(CC(=O)OCC)C(=O)CCCC1=NN=N[N-]1	REAL250004593952	1	40	-1.0	-49.82	335.08	5.59	-44.23
CCOC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004593954	0	37	-1.0	-50.35	313.52	4.81	-45.54
CCOC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004593954	1	37	-1.0	-50.38	313.58	4.83	-45.55
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL250004593957	0	34	-1.0	-58.21	280.66	5.52	-52.69
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL250004593957	1	34	-1.0	-58.11	280.84	5.51	-52.60
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL250004593958	0	31	-1.0	-37.94	268.20	3.38	-34.56
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL250004593958	1	31	-1.0	-37.99	268.13	3.37	-34.62
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CC1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004593964	1	36	-1.0	-42.77	313.82	5.68	-37.09
CCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593965	0	33	-1.0	-44.87	291.53	3.04	-41.83
CCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593965	1	33	-1.0	-44.84	291.60	3.04	-41.80
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CC(C)=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593968	0	33	-1.0	-41.56	286.44	4.02	-37.54
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CC(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593972	0	35	-1.0	-41.55	295.18	4.07	-37.48
CC(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593972	1	35	-1.0	-41.49	295.25	4.06	-37.43
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CC(=O)NCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593974	0	36	-1.0	-50.90	317.47	1.04	-49.86
CC(=O)NCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593974	1	36	-1.0	-50.89	317.53	1.03	-49.86
CC(C)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593975	0	38	-1.0	-41.83	317.52	4.77	-37.06
CC(C)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593975	1	38	-1.0	-41.80	317.59	4.77	-37.03
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CSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593977	0	30	-1.0	-44.03	280.02	3.15	-40.88
CSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593977	1	30	-1.0	-43.99	280.08	3.14	-40.85
CSCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593978	0	33	-1.0	-41.84	301.69	3.96	-37.88
CSCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593978	1	33	-1.0	-41.89	301.76	3.95	-37.94
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CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004593980	0	33	-1.0	-42.76	298.49	3.85	-38.91
CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004593980	1	33	-1.0	-42.74	298.56	3.84	-38.90
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CC(NC(N)=O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004593983	0	35	-1.0	-45.64	308.11	-1.54	-47.18
CC(NC(N)=O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004593983	1	35	-1.0	-45.62	308.18	-1.55	-47.17
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COC(=O)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594056	1	32	-1.0	-48.94	288.97	3.69	-45.25
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CCOCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594063	0	39	-1.0	-44.07	333.98	3.52	-40.55
CCOCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594063	1	39	-1.0	-44.06	334.05	3.52	-40.54
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CSC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594067	0	33	-1.0	-43.65	298.47	3.71	-39.94
CSC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594067	1	33	-1.0	-43.64	298.53	3.70	-39.94
CCOC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594068	0	36	-1.0	-44.35	311.32	3.74	-40.61
CCOC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594068	1	36	-1.0	-44.32	311.38	3.74	-40.58
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CCOC(=O)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594070	0	35	-1.0	-48.64	310.77	4.61	-44.03
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CC(C)(C#N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594071	0	33	-1.0	-46.71	294.79	3.51	-43.20
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CCSCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594079	0	36	-1.0	-41.71	323.16	4.84	-36.87
CCSCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594079	1	36	-1.0	-41.68	323.22	4.84	-36.84
COC(=O)NCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594080	0	34	-1.0	-44.64	306.46	-0.19	-44.83
COC(=O)NCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594080	1	34	-1.0	-44.57	306.52	-0.20	-44.77
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CCCSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594083	0	36	-1.0	-43.53	322.99	4.84	-38.69
CCCSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594083	1	36	-1.0	-43.50	323.05	4.83	-38.67
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CC1=NNC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594087	0	33	-1.0	-43.13	296.11	2.07	-41.06
CC1=NNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594087	1	33	-1.0	-43.13	296.17	2.06	-41.07
CC1=CN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004594088	0	36	-1.0	-48.95	319.10	3.79	-45.16
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COC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594090	0	33	-1.0	-44.34	289.47	2.79	-41.55
COC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594090	1	33	-1.0	-44.36	289.53	2.78	-41.58
CC1=NN(C)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594091	0	36	-1.0	-42.93	314.85	3.33	-39.60
CC1=NN(C)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594091	1	36	-1.0	-42.90	314.91	3.32	-39.58
CCC=C(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594092	0	36	-1.0	-41.90	305.59	4.74	-37.16
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CCCC(C)=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594093	1	39	-1.0	-41.08	329.68	5.55	-35.53
CCOC(CC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594094	0	39	-1.0	-43.23	332.53	4.57	-38.66
CCOC(CC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594094	1	39	-1.0	-43.17	332.59	4.56	-38.61
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O=C(C=C1CCCCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594096	0	40	-1.0	-41.31	327.61	5.84	-35.47
O=C(C=C1CCCCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594096	1	40	-1.0	-41.29	327.67	5.83	-35.46
CS(=O)(=O)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594097	0	32	-1.0	-56.79	298.49	-0.29	-57.08
CS(=O)(=O)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594097	1	32	-1.0	-56.77	298.55	-0.29	-57.06
COC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594098	0	33	-1.0	-44.34	289.47	2.79	-41.55
COC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594098	1	33	-1.0	-44.36	289.53	2.78	-41.58
CC(C)OCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594099	0	36	-1.0	-44.68	311.81	3.77	-40.91
CC(C)OCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594099	1	36	-1.0	-44.68	311.87	3.76	-40.92
CC(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004594100	0	39	-1.0	-41.33	324.85	5.53	-35.80
CC(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004594100	1	39	-1.0	-41.31	324.91	5.52	-35.79
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004594101	0	32	-1.0	-43.99	291.00	0.46	-43.53
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004594101	1	32	-1.0	-43.98	290.93	0.46	-43.52
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C=CCCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594102	1	37	-1.0	-44.51	325.91	4.40	-40.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(F)=C1	REAL250004594104	0	32	-1.0	-43.93	294.02	3.20	-40.73
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(F)=C1	REAL250004594104	1	32	-1.0	-43.95	293.96	3.21	-40.74
CN1N=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594105	0	33	-1.0	-42.92	292.71	2.75	-40.17
CN1N=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594105	1	33	-1.0	-42.94	292.64	2.75	-40.19
CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CN=C1	REAL250004594106	0	36	-1.0	-47.19	315.07	4.85	-42.34
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CN=C1	REAL250004594106	1	36	-1.0	-47.17	315.13	4.84	-42.33
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O=C(CC(F)(F)F)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594108	1	29	-1.0	-44.70	274.44	3.13	-41.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CNC(=O)C1	REAL250004594109	0	34	-1.0	-46.79	297.50	0.29	-46.50
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CNC(=O)C1	REAL250004594109	1	34	-1.0	-46.76	297.56	0.28	-46.48
CCCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594110	0	36	-1.0	-44.58	313.03	3.84	-40.74
CCCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594110	1	36	-1.0	-44.55	313.10	3.84	-40.71
COCCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594111	0	39	-1.0	-42.87	333.63	3.34	-39.53
COCCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594111	1	39	-1.0	-42.88	333.69	3.33	-39.55
NC(=O)CCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594112	0	36	-1.0	-51.83	316.14	0.33	-51.50
NC(=O)CCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594112	1	36	-1.0	-51.81	316.20	0.33	-51.48
CCC(OC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594114	0	36	-1.0	-43.11	309.92	3.66	-39.45
CCC(OC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594114	1	36	-1.0	-43.08	309.99	3.65	-39.43
O=C(CCN1C=CN=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594115	0	36	-1.0	-45.40	318.85	5.28	-40.12
O=C(CCN1C=CN=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594115	1	36	-1.0	-45.40	318.91	5.27	-40.13
CN1C=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004594116	0	36	-1.0	-47.57	319.85	3.49	-44.08
CN1C=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004594116	1	36	-1.0	-47.59	319.79	3.50	-44.09
CCC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594117	0	38	-1.0	-41.38	309.62	4.44	-36.94
CCC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594117	1	38	-1.0	-41.37	309.68	4.44	-36.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL250004594118	0	42	-1.0	-40.85	329.33	5.78	-35.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL250004594118	1	42	-1.0	-40.80	329.39	5.78	-35.02
COC(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594119	0	36	-1.0	-43.29	309.77	3.32	-39.97
COC(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594119	1	36	-1.0	-43.27	309.83	3.31	-39.96
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004594120	0	39	-1.0	-41.39	317.58	5.23	-36.16
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004594120	1	39	-1.0	-41.38	317.64	5.22	-36.16
CCCC(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594121	0	41	-1.0	-41.43	334.91	5.49	-35.94
CCCC(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594121	1	41	-1.0	-41.38	334.97	5.48	-35.90
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CCOCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594123	0	36	-1.0	-42.06	312.49	2.76	-39.30
CCOCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594123	1	36	-1.0	-42.03	312.55	2.75	-39.28
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COCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594124	1	33	-1.0	-42.20	290.69	1.78	-40.42
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NC(=O)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594126	0	34	-1.0	-44.36	304.53	0.01	-44.35
NC(=O)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594126	1	34	-1.0	-44.36	304.59	0.00	-44.36
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O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COCC1	REAL250004594128	0	32	-1.0	-42.30	283.66	2.56	-39.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COCC1	REAL250004594128	1	32	-1.0	-42.32	283.72	2.55	-39.77
CCC(=O)NCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594129	0	36	-1.0	-44.81	315.93	1.21	-43.60
CCC(=O)NCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594129	1	36	-1.0	-44.78	315.99	1.21	-43.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=C1	REAL250004594130	0	31	-1.0	-46.38	279.59	2.89	-43.49
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=C1	REAL250004594130	1	31	-1.0	-46.34	279.66	2.88	-43.46
CN(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594131	0	34	-1.0	-42.49	290.46	1.05	-41.44
CN(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594131	1	34	-1.0	-42.46	290.52	1.05	-41.41
CN1C=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004594132	0	33	-1.0	-46.14	298.04	2.79	-43.35
CN1C=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004594132	1	33	-1.0	-46.19	297.97	2.80	-43.39
COCCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594133	0	37	-1.0	-47.25	325.16	2.29	-44.96
COCCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594133	1	37	-1.0	-47.28	325.22	2.28	-45.00
CCCC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594134	0	38	-1.0	-41.58	316.13	4.79	-36.79
CCCC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594134	1	38	-1.0	-41.58	316.19	4.78	-36.80
CC1=NON=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594135	0	31	-1.0	-40.74	285.73	2.27	-38.47
CC1=NON=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594135	1	31	-1.0	-40.74	285.79	2.26	-38.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CN1	REAL250004594136	0	30	-1.0	-45.08	274.28	2.56	-42.52
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CN1	REAL250004594136	1	30	-1.0	-45.06	274.35	2.55	-42.51
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC=N1	REAL250004594137	0	29	-1.0	-44.41	271.42	-0.39	-44.80
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC=N1	REAL250004594137	1	29	-1.0	-44.43	271.36	-0.39	-44.82
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCC(=O)N1	REAL250004594138	0	34	-1.0	-49.29	299.27	0.62	-48.67
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCC(=O)N1	REAL250004594138	1	34	-1.0	-49.25	299.33	0.61	-48.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)N=C1	REAL250004594140	0	32	-1.0	-43.45	293.81	3.18	-40.27
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)N=C1	REAL250004594140	1	32	-1.0	-43.51	293.74	3.19	-40.32
CC(C#N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594141	0	30	-1.0	-47.88	275.94	3.01	-44.87
CC(C#N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594141	1	30	-1.0	-47.85	276.00	3.00	-44.85
O=C(CC1=CCCCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594143	0	40	-1.0	-42.25	332.86	5.93	-36.32
O=C(CC1=CCCCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594143	1	40	-1.0	-42.22	332.92	5.92	-36.30
CC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004594144	0	33	-1.0	-44.32	296.27	2.40	-41.92
CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004594144	1	33	-1.0	-44.28	296.33	2.40	-41.88
COCC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594145	0	36	-1.0	-41.62	309.34	2.50	-39.12
COCC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594145	1	36	-1.0	-41.59	309.41	2.49	-39.10
C=CCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594146	0	34	-1.0	-45.02	304.44	3.62	-41.40
C=CCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594146	1	34	-1.0	-45.04	304.50	3.61	-41.43
CC1=NN(C)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594147	0	36	-1.0	-45.66	315.49	3.39	-42.27
CC1=NN(C)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594147	1	36	-1.0	-45.68	315.55	3.38	-42.30
CCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004594148	0	36	-1.0	-45.16	318.97	3.64	-41.52
CCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004594148	1	36	-1.0	-45.18	318.90	3.64	-41.54
CCCCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594149	0	39	-1.0	-44.43	334.53	4.63	-39.80
CCCCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594149	1	39	-1.0	-44.43	334.59	4.62	-39.81
CC(C)(C)C(=O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594150	0	37	-1.0	-40.75	314.28	3.78	-36.97
CC(C)(C)C(=O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594150	1	37	-1.0	-40.70	314.34	3.77	-36.93
CC1=NC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594151	0	35	-1.0	-43.07	303.67	3.91	-39.16
CC1=NC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594151	1	35	-1.0	-43.08	303.73	3.90	-39.18
CSCC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594152	0	36	-1.0	-41.33	319.10	4.53	-36.80
CSCC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594152	1	36	-1.0	-41.33	319.17	4.52	-36.81
CC1=CC=NC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594153	0	35	-1.0	-43.13	303.61	3.93	-39.20
CC1=CC=NC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594153	1	35	-1.0	-43.17	303.67	3.93	-39.24
CC1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594154	0	42	-1.0	-41.25	338.98	5.88	-35.37
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CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004594199	0	39	-1.0	-41.52	320.94	4.96	-36.56
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CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004594206	0	36	-1.0	-41.40	300.71	4.53	-36.87
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004594206	1	36	-1.0	-41.41	300.77	4.52	-36.89
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCCC2	REAL250004594208	1	40	-1.0	-41.25	332.58	5.85	-35.40
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(F)(F)C1	REAL250004594209	0	33	-1.0	-42.44	296.94	4.16	-38.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL250004594209	1	33	-1.0	-42.40	297.00	4.15	-38.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NC=C1	REAL250004594210	0	33	-1.0	-51.14	297.32	1.94	-49.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC=C1	REAL250004594210	1	33	-1.0	-51.07	297.38	1.93	-49.14
CCCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594211	0	39	-1.0	-41.51	330.62	5.46	-36.05
CCCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594211	1	39	-1.0	-41.48	330.68	5.45	-36.03
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCC1	REAL250004594212	0	34	-1.0	-41.84	293.54	4.58	-37.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCC1	REAL250004594212	1	34	-1.0	-41.84	293.61	4.57	-37.27
CC1=CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004594213	0	36	-1.0	-48.15	317.96	2.71	-45.44
CC1=CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004594213	1	36	-1.0	-48.14	318.02	2.70	-45.44
CC1=NNC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594213	1	36	-1.0	-47.19	318.81	2.61	-44.58
CC1=NNC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594213	1	36	-1.0	-47.16	318.87	2.60	-44.56
CN1C=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594214	0	34	-1.0	-44.80	302.38	4.62	-40.18
CN1C=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594214	1	34	-1.0	-44.82	302.44	4.61	-40.21
O=C(C=C1CCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594215	0	34	-1.0	-42.32	296.12	4.71	-37.61
O=C(C=C1CCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594215	1	34	-1.0	-42.30	296.18	4.70	-37.60
COCC(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594216	0	39	-1.0	-43.58	328.13	3.18	-40.40
COCC(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594216	1	39	-1.0	-43.56	328.19	3.18	-40.38
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004594217	0	37	-1.0	-41.79	311.02	2.93	-38.86
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004594217	1	37	-1.0	-41.76	311.09	2.92	-38.84
CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004594218	0	37	-1.0	-42.45	309.86	2.72	-39.73
CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004594218	1	37	-1.0	-42.38	309.92	2.72	-39.66
O=C(CC1=CC=CN=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594219	0	35	-1.0	-45.82	311.87	3.91	-41.91
O=C(CC1=CC=CN=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594219	1	35	-1.0	-45.82	311.81	3.92	-41.90
CCC1(C)CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594220	0	39	-1.0	-41.21	321.15	5.36	-35.85
CCC1(C)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594220	1	39	-1.0	-41.18	321.21	5.35	-35.83
CCCC(C)(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594221	0	39	-1.0	-41.20	325.56	1.57	-39.63
CCCC(C)(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594221	1	39	-1.0	-41.20	325.62	1.57	-39.63
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC2	REAL250004594222	0	37	-1.0	-41.75	314.80	5.43	-36.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC2	REAL250004594222	1	37	-1.0	-41.65	314.86	5.42	-36.23
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(F)=C1	REAL250004594223	0	32	-1.0	-42.45	293.82	3.31	-39.14
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(F)=C1	REAL250004594223	1	32	-1.0	-42.48	293.76	3.31	-39.17
CCCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004594224	0	42	-1.0	-41.42	342.44	5.74	-35.68
CCCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004594224	1	42	-1.0	-41.39	342.50	5.73	-35.66
CCC(=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC	REAL250004594225	0	39	-1.0	-40.95	326.71	5.50	-35.45
CCC(=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC	REAL250004594225	1	39	-1.0	-40.92	326.78	5.50	-35.42
CC1CC(C#N)(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594226	0	37	-1.0	-43.20	323.52	4.79	-38.41
CC1CC(C#N)(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594226	1	37	-1.0	-43.17	323.59	4.79	-38.38
CC1CCC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594227	0	42	-1.0	-41.62	341.23	5.94	-35.68
CC1CCC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594227	1	42	-1.0	-41.60	341.29	5.93	-35.67
CCC(CC)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594228	0	41	-1.0	-41.49	327.55	5.26	-36.23
CCC(CC)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594228	1	41	-1.0	-41.43	327.61	5.25	-36.18
CC=C(C=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC	REAL250004594229	0	40	-1.0	-41.97	340.91	5.93	-36.04
CC=C(C=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC	REAL250004594229	1	40	-1.0	-41.95	340.97	5.92	-36.03
CC1CCC(=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594230	0	40	-1.0	-41.49	332.26	5.94	-35.55
CC1CCC(=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594230	1	40	-1.0	-41.46	332.32	5.94	-35.52
CC(C)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594231	0	39	-1.0	-41.34	324.64	5.84	-35.50
CC(C)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594231	1	39	-1.0	-41.35	324.71	5.83	-35.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCSC1	REAL250004594232	0	34	-1.0	-42.09	299.50	4.33	-37.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCSC1	REAL250004594232	1	34	-1.0	-42.09	299.56	4.32	-37.77
CC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594233	0	36	-1.0	-41.38	303.43	4.59	-36.79
CC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594233	1	36	-1.0	-41.36	303.49	4.58	-36.78
CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)=C1CCCC1	REAL250004594234	0	40	-1.0	-41.70	327.68	6.04	-35.66
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)=C1CCCC1	REAL250004594234	1	40	-1.0	-41.64	327.75	6.03	-35.61
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(O)CCCC1	REAL250004594235	0	37	-1.0	-42.16	308.25	1.58	-40.58
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CCCC1	REAL250004594235	1	37	-1.0	-42.12	308.31	1.57	-40.55
COCC(C)(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594236	0	37	-1.0	-42.12	319.55	-0.49	-42.61
COCC(C)(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594236	1	37	-1.0	-42.08	319.62	-0.49	-42.57
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594237	0	33	-1.0	-41.55	285.24	4.09	-37.46
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594237	1	33	-1.0	-41.54	285.30	4.08	-37.46
CN1C=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594238	0	33	-1.0	-46.90	297.98	4.22	-42.68
CN1C=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594238	1	33	-1.0	-46.96	297.92	4.23	-42.73
CC1=C(C)OC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594239	0	36	-1.0	-42.97	319.59	4.52	-38.45
CC1=C(C)OC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594239	1	36	-1.0	-42.94	319.66	4.51	-38.43
C=CCC(CC=C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594240	0	40	-1.0	-40.82	338.48	6.12	-34.70
C=CCC(CC=C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594240	1	40	-1.0	-40.81	338.54	6.11	-34.70
CC1=CC(C)=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004594241	0	37	-1.0	-42.95	319.34	4.05	-38.90
CC1=CC(C)=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004594241	1	37	-1.0	-42.98	319.40	4.04	-38.94
CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004594242	0	42	-1.0	-41.46	336.00	5.74	-35.72
CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004594242	1	42	-1.0	-41.50	336.06	5.74	-35.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C1CC1)C1CC1	REAL250004594243	0	40	-1.0	-41.18	338.42	6.49	-34.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C1CC1)C1CC1	REAL250004594243	1	40	-1.0	-41.11	338.48	6.48	-34.63
CC(C)(C)C(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594244	0	39	-1.0	-41.25	318.19	1.73	-39.52
CC(C)(C)C(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594244	1	39	-1.0	-41.19	318.25	1.72	-39.47
CC1(C)C[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594245	0	36	-1.0	-41.28	304.09	4.71	-36.57
CC1(C)C[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594245	1	36	-1.0	-41.24	304.15	4.70	-36.54
CNC(=O)NCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594246	0	35	-1.0	-46.19	310.49	-0.95	-47.14
CNC(=O)NCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594246	1	35	-1.0	-46.16	310.55	-0.96	-47.12
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCO1	REAL250004594247	0	31	-1.0	-44.52	275.55	2.23	-42.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCO1	REAL250004594247	1	31	-1.0	-44.48	275.61	2.22	-42.26
CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004594248	0	35	-1.0	-43.55	311.07	3.94	-39.61
CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004594248	1	35	-1.0	-43.57	311.01	3.95	-39.62
CC1=CC=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004594249	0	36	-1.0	-46.15	319.64	4.66	-41.49
CC1=CC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004594249	1	36	-1.0	-46.12	319.70	4.65	-41.47
CCC(C)C(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594250	0	39	-1.0	-41.27	320.49	1.84	-39.43
CCC(C)C(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594250	1	39	-1.0	-41.28	320.55	1.83	-39.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)C1	REAL250004594251	0	32	-1.0	-48.29	286.00	3.07	-45.22
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)C1	REAL250004594251	1	32	-1.0	-48.27	286.06	3.06	-45.21
CC(C)(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594252	0	32	-1.0	-41.09	283.42	3.39	-37.70
CC(C)(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594252	1	32	-1.0	-41.07	283.48	3.38	-37.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CO1	REAL250004594253	0	29	-1.0	-43.68	271.43	-0.29	-43.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CO1	REAL250004594253	1	29	-1.0	-43.66	271.37	-0.29	-43.95
CC1=NN=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594254	0	34	-1.0	-44.39	298.95	2.82	-41.57
CC1=NN=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594254	1	34	-1.0	-44.38	299.01	2.81	-41.57
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004594255	0	38	-1.0	-43.21	321.99	3.83	-39.38
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004594255	1	38	-1.0	-43.16	322.05	3.82	-39.34
COCC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594256	0	39	-1.0	-41.28	326.99	3.15	-38.13
COCC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594256	1	39	-1.0	-41.31	327.06	3.14	-38.17
O=C(CN1CCCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594257	1	38	-1.0	-42.14	312.94	1.95	-40.19
O=C(CN1CCCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594257	1	38	-1.0	-42.12	313.01	1.94	-40.18
CSC(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594258	0	36	-1.0	-43.46	317.52	4.52	-38.94
CSC(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594258	1	36	-1.0	-43.42	317.58	4.51	-38.91
CCC(SC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594259	0	36	-1.0	-41.93	320.32	4.49	-37.44
CCC(SC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594259	1	36	-1.0	-41.87	320.39	4.48	-37.39
CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=C1	REAL250004594260	0	37	-1.0	-44.50	320.26	5.45	-39.05
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=C1	REAL250004594260	1	37	-1.0	-44.44	320.32	5.44	-39.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN=CN1	REAL250004594261	0	29	-1.0	-47.00	270.19	2.43	-44.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCO1	REAL250004594262	0	37	-1.0	-44.20	310.94	4.09	-40.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCO1	REAL250004594262	1	37	-1.0	-44.20	311.00	4.08	-40.12
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CC1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594281	1	39	-1.0	-41.44	316.12	5.18	-36.26
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COCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594287	0	37	-1.0	-44.12	323.41	3.02	-41.10
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594287	1	37	-1.0	-44.08	323.47	3.01	-41.07
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CC1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594293	1	39	-1.0	-41.41	321.62	5.21	-36.20
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CCC(C)(CC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594299	0	41	-1.0	-41.39	325.55	4.92	-36.47
CCC(C)(CC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594299	1	41	-1.0	-41.37	325.62	4.91	-36.46
CC#CCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594300	0	37	-1.0	-45.10	327.56	5.74	-39.36
CC#CCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594300	1	37	-1.0	-45.07	327.63	5.74	-39.33
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C#CCC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594301	1	37	-1.0	-41.59	318.92	5.01	-36.58
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004594302	0	37	-1.0	-41.76	309.43	2.53	-39.23
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004594302	1	37	-1.0	-41.71	309.49	2.52	-39.19
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COC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004594304	0	37	-1.0	-40.66	310.32	3.13	-37.53
COC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004594304	1	37	-1.0	-40.60	310.38	3.12	-37.48
CCNC(=O)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594305	0	36	-1.0	-51.80	314.53	2.61	-49.19
CCNC(=O)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594305	1	36	-1.0	-51.80	314.60	2.60	-49.20
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C#CCCCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594306	1	40	-1.0	-43.95	348.80	6.34	-37.61
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CCC1	REAL250004594307	1	34	-1.0	-41.71	290.30	0.92	-40.79
CC1(C)CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594308	0	42	-1.0	-41.32	341.17	5.76	-35.56
CC1(C)CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594308	1	42	-1.0	-41.30	341.23	5.75	-35.55
COC(C)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594309	0	39	-1.0	-42.67	331.67	3.33	-39.34
COC(C)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594309	1	39	-1.0	-42.65	331.73	3.32	-39.33
CCC(C)C(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594310	0	41	-1.0	-41.07	328.54	5.22	-35.85
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C#CCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594311	0	31	-1.0	-42.48	284.24	4.00	-38.48
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CC(F)(F)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594317	1	32	-1.0	-46.86	288.92	3.68	-43.18
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004594318	0	42	-1.0	-41.08	330.49	5.65	-35.43
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CC1=NON=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594480	1	34	-1.0	-50.73	309.25	2.22	-48.51
CC1=CN(C)N=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594481	0	36	-1.0	-46.00	316.49	3.48	-42.52
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(O)C1CCC1	REAL250004594483	1	37	-1.0	-41.76	311.50	2.99	-38.77
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N(C)N=C1	REAL250004594484	0	36	-1.0	-43.94	319.34	3.30	-40.64
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N(C)N=C1	REAL250004594484	1	36	-1.0	-43.98	319.28	3.31	-40.67
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004594485	0	32	-1.0	-44.44	296.44	3.85	-40.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004594485	1	32	-1.0	-44.43	296.50	3.84	-40.59
CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004594486	0	34	-1.0	-45.92	306.27	2.76	-43.16
CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004594486	1	34	-1.0	-45.94	306.33	2.75	-43.19
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CC2C1	REAL250004594487	1	40	-1.0	-41.16	325.46	5.92	-35.24
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CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004594489	0	33	-1.0	-44.00	296.13	4.29	-39.71
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004594489	1	33	-1.0	-43.97	296.19	4.28	-39.69
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O=C(CC1=NNC=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594490	1	32	-1.0	-49.78	291.64	2.55	-47.23
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CC1CCCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594492	1	42	-1.0	-40.77	334.35	5.82	-34.95
NC1=NN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004594493	0	34	-1.0	-52.69	307.45	4.13	-48.56
NC1=NN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004594493	1	34	-1.0	-52.69	307.38	4.13	-48.56
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1F	REAL250004594494	0	33	-1.0	-41.18	291.44	4.18	-37.00
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1F	REAL250004594494	1	33	-1.0	-41.18	291.50	4.17	-37.01
C=C(C)C(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594495	0	39	-1.0	-41.40	320.91	4.87	-36.53
C=C(C)C(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594495	1	39	-1.0	-41.39	320.97	4.86	-36.53
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CCN1C=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004594497	0	36	-1.0	-46.00	319.35	3.64	-42.36
CCN1C=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004594497	1	36	-1.0	-46.01	319.28	3.65	-42.36
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COC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594500	0	34	-1.0	-43.24	295.47	3.25	-39.99
COC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594500	1	34	-1.0	-43.21	295.54	3.25	-39.96
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CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)NC=N1	REAL250004594511	0	33	-1.0	-44.84	292.27	3.18	-41.66
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CCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)NC=N1	REAL250004594512	0	36	-1.0	-44.69	313.75	3.91	-40.78
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C[C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594518	0	42	-1.0	-41.18	338.96	5.88	-35.30
C[C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594518	1	42	-1.0	-41.17	339.03	5.88	-35.29
CCC(CO)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594519	0	36	-1.0	-42.07	304.47	0.83	-41.24
CCC(CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594519	1	36	-1.0	-42.06	304.53	0.82	-41.24
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CCC1=NOC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594522	0	35	-1.0	-44.13	311.27	3.79	-40.34
CCC1=NOC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594522	1	35	-1.0	-44.07	311.34	3.78	-40.29
CCC(C#N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594523	0	33	-1.0	-44.70	296.57	3.65	-41.05
CCC(C#N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594523	1	33	-1.0	-44.67	296.63	3.65	-41.02
CCCC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594524	0	41	-1.0	-41.50	331.12	5.21	-36.29
CCCC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594524	1	41	-1.0	-41.49	331.18	5.20	-36.29
CC(=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL250004594525	0	42	-1.0	-41.03	340.96	5.67	-35.36
CC(=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL250004594525	1	42	-1.0	-40.98	341.02	5.67	-35.31
CSC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594526	0	36	-1.0	-43.66	312.32	4.29	-39.37
CSC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594526	1	36	-1.0	-43.58	312.38	4.28	-39.30
CC(C)(O)C(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594527	0	37	-1.0	-42.39	311.43	-0.79	-43.18
CC(C)(O)C(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594527	1	37	-1.0	-42.39	311.49	-0.80	-43.19
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC(=O)C1	REAL250004594528	0	35	-1.0	-43.42	304.13	3.64	-39.78
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(=O)C1	REAL250004594528	1	35	-1.0	-43.42	304.19	3.63	-39.79
CCC(O)C(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594529	0	39	-1.0	-44.25	322.28	2.63	-41.62
CCC(O)C(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594529	1	39	-1.0	-44.20	322.34	2.62	-41.58
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC2C1	REAL250004594530	0	37	-1.0	-41.53	311.20	5.33	-36.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL250004594530	1	37	-1.0	-41.54	311.27	5.33	-36.21
CC=CC(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594531	0	34	-1.0	-42.04	302.67	1.99	-40.05
CC=CC(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594531	1	34	-1.0	-41.99	302.73	1.98	-40.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2CC21	REAL250004594532	0	40	-1.0	-41.42	325.23	5.84	-35.58
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CC21	REAL250004594532	1	40	-1.0	-41.40	325.29	5.83	-35.57
CC1=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004594533	0	36	-1.0	-45.74	318.27	4.48	-41.26
CC1=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004594533	1	36	-1.0	-45.71	318.33	4.47	-41.24
CC1(C)CCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594534	0	39	-1.0	-41.08	319.27	5.08	-36.00
CC1(C)CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594534	1	39	-1.0	-41.08	319.33	5.07	-36.01
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CCCC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594536	0	36	-1.0	-41.81	313.12	4.86	-36.95
CCCC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594536	1	36	-1.0	-41.83	313.18	4.85	-36.98
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CC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004594538	0	32	-1.0	-42.97	293.35	0.47	-42.50
CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004594538	1	32	-1.0	-42.92	293.42	0.46	-42.46
CC1=COC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594539	0	33	-1.0	-44.45	294.59	3.68	-40.77
CC1=COC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594539	1	33	-1.0	-44.40	294.65	3.68	-40.72
COCC(OC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594540	0	37	-1.0	-43.87	319.85	2.25	-41.62
COCC(OC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594540	1	37	-1.0	-43.86	319.91	2.25	-41.61
CN1CCC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594541	1	38	-1.0	-42.95	317.77	2.11	-40.84
CN1CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594541	1	38	-1.0	-42.90	317.83	2.10	-40.80
CN1CCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594542	1	38	-1.0	-43.14	317.93	2.24	-40.90
CN1CCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594542	1	38	-1.0	-43.14	318.00	2.23	-40.91
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CC(CF)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594546	0	32	-1.0	-41.04	282.30	3.51	-37.53
CC(CF)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594546	1	32	-1.0	-40.99	282.36	3.50	-37.49
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CCC(F)(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594549	0	32	-1.0	-40.23	288.71	3.62	-36.61
CCC(F)(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594549	1	32	-1.0	-40.20	288.78	3.61	-36.59
CCN1C=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594550	0	36	-1.0	-46.37	319.79	5.14	-41.23
CCN1C=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594550	1	36	-1.0	-46.42	319.73	5.15	-41.27
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004594551	0	35	-1.0	-42.10	303.14	2.87	-39.23
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O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004594552	0	37	-1.0	-41.51	311.23	5.34	-36.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004594552	1	37	-1.0	-41.52	311.29	5.33	-36.19
CC1=NC=CN=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594553	0	34	-1.0	-43.33	300.61	2.08	-41.25
CC1=NC=CN=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594553	1	34	-1.0	-43.32	300.67	2.07	-41.25
C=C1CC(C)(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594554	0	37	-1.0	-41.23	314.94	5.04	-36.19
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C[C@@H](C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004594557	1	37	-1.0	-42.13	302.92	1.48	-40.65
C[C@@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004594557	1	37	-1.0	-42.10	302.98	1.47	-40.63
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CCC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594559	0	33	-1.0	-42.01	291.62	4.08	-37.93
CCC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594559	1	33	-1.0	-42.02	291.68	4.07	-37.95
CC1=CC=NN1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594560	0	36	-1.0	-47.91	318.95	3.59	-44.32
CC1=CC=NN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594560	1	36	-1.0	-47.86	319.01	3.59	-44.27
CC(Cl)=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594561	0	30	-1.0	-43.15	282.85	3.84	-39.31
CC(Cl)=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594561	1	30	-1.0	-43.09	282.91	3.83	-39.26
CC1=C(C)NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004594562	0	36	-1.0	-44.69	317.04	2.86	-41.83
CC1=C(C)NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004594562	1	36	-1.0	-44.66	317.10	2.85	-41.81
C=C1CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594563	0	31	-1.0	-42.05	281.05	4.06	-37.99
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N#CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004594564	0	35	-1.0	-43.54	309.63	2.15	-41.39
N#CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004594564	1	35	-1.0	-43.51	309.69	2.14	-41.37
NC(=O)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594565	0	33	-1.0	-45.58	294.64	-0.45	-46.03
NC(=O)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594565	1	33	-1.0	-45.48	294.70	-0.46	-45.94
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CC1=NC=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004594567	0	35	-1.0	-48.11	314.38	1.30	-46.81
CC1=NC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004594567	1	35	-1.0	-48.10	314.45	1.30	-46.80
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CC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL250004594569	0	36	-1.0	-45.24	313.04	3.97	-41.27
CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL250004594569	1	36	-1.0	-45.20	313.10	3.96	-41.24
NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594570	0	34	-1.0	-50.39	302.13	0.75	-49.64
NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594570	1	34	-1.0	-50.36	302.20	0.74	-49.62
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCC(=O)O1	REAL250004594573	1	33	-1.0	-49.39	295.34	3.96	-45.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1CCCC2	REAL250004594574	0	40	-1.0	-41.43	325.09	5.81	-35.62
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1CCCC2	REAL250004594574	1	40	-1.0	-41.40	325.16	5.80	-35.60
CCOC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594575	0	39	-1.0	-44.40	323.26	4.19	-40.21
CCOC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594575	1	39	-1.0	-44.37	323.33	4.18	-40.19
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(C2CC2)C1	REAL250004594576	0	40	-1.0	-41.96	335.74	6.15	-35.81
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2CC2)C1	REAL250004594576	1	40	-1.0	-41.90	335.81	6.14	-35.76
O=C(CC1=CNC=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594577	0	33	-1.0	-49.61	295.49	3.38	-46.23
O=C(CC1=CNC=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594577	1	33	-1.0	-49.57	295.56	3.37	-46.20
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC(=O)N1	REAL250004594578	0	34	-1.0	-48.75	299.26	0.61	-48.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC(=O)N1	REAL250004594578	1	34	-1.0	-48.73	299.32	0.60	-48.13
CC1C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1C1CC1	REAL250004594579	0	40	-1.0	-40.51	334.08	6.33	-34.18
CC1C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1C1CC1	REAL250004594579	1	40	-1.0	-40.51	334.14	6.32	-34.19
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC12CC2	REAL250004594580	0	40	-1.0	-41.44	330.55	5.80	-35.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC12CC2	REAL250004594580	1	40	-1.0	-41.41	330.61	5.79	-35.62
CCC(C#N)(CC)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594581	0	39	-1.0	-43.30	327.48	4.47	-38.83
CCC(C#N)(CC)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594581	1	39	-1.0	-43.27	327.54	4.46	-38.81
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=N1	REAL250004594582	0	31	-1.0	-46.02	284.68	2.15	-43.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=N1	REAL250004594582	1	31	-1.0	-46.04	284.62	2.16	-43.88
COCC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594583	0	34	-1.0	-43.76	303.88	2.36	-41.40
COCC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594583	1	34	-1.0	-43.73	303.95	2.35	-41.38
N#CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004594584	0	31	-1.0	-45.48	296.48	3.52	-41.96
N#CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004594584	1	31	-1.0	-45.45	296.54	3.51	-41.94
NC1=CC=CN=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594585	0	34	-1.0	-43.46	299.94	1.52	-41.94
NC1=CC=CN=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594585	1	34	-1.0	-43.50	299.88	1.53	-41.97
CC1=CON=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594586	0	32	-1.0	-44.37	289.95	2.94	-41.43
CC1=CON=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594586	1	32	-1.0	-44.40	289.89	2.95	-41.45
CC1CC1C1CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594587	0	40	-1.0	-41.66	336.57	6.19	-35.47
CC1CC1C1CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594587	1	40	-1.0	-41.68	336.64	6.18	-35.50
CC1(C#CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594588	0	35	-1.0	-43.12	316.97	5.41	-37.71
CC1(C#CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594588	1	35	-1.0	-42.99	317.03	5.40	-37.59
CC1(CCCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004594589	0	38	-1.0	-46.42	332.12	0.14	-46.28
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CCCCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594624	0	42	-1.0	-41.58	352.12	6.24	-35.34
CCCCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594624	1	42	-1.0	-41.50	352.18	6.23	-35.27
CCC[C@H](O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594625	0	36	-1.0	-42.11	309.74	2.19	-39.92
CCC[C@H](O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594625	1	36	-1.0	-42.09	309.80	2.19	-39.90
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CCOC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594627	0	34	-1.0	-42.54	303.60	2.95	-39.59
CCOC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594627	1	34	-1.0	-42.50	303.66	2.95	-39.55
CC1=COC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004594628	0	32	-1.0	-46.21	293.50	0.27	-45.94
CC1=COC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004594628	1	32	-1.0	-46.18	293.56	0.26	-45.92
CCC(C)(O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594629	0	36	-1.0	-41.28	304.06	0.81	-40.47
CCC(C)(O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594629	1	36	-1.0	-41.27	304.12	0.80	-40.47
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C=CC(CC)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594630	1	39	-1.0	-41.71	329.20	5.30	-36.41
CCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004594631	0	35	-1.0	-46.70	315.05	2.19	-44.51
CCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004594631	1	35	-1.0	-46.73	314.99	2.20	-44.53
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004594632	0	37	-1.0	-41.67	310.91	5.04	-36.63
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004594632	1	37	-1.0	-41.62	310.98	5.03	-36.59
CN1C=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004594633	0	35	-1.0	-53.68	313.01	2.25	-51.43
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CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CN=N1	REAL250004594635	0	34	-1.0	-44.64	304.16	2.79	-41.85
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CN=N1	REAL250004594635	1	34	-1.0	-44.60	304.22	2.78	-41.82
CC[C@H](C)[C@H](O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594636	0	39	-1.0	-41.32	320.71	1.84	-39.48
CC[C@H](C)[C@H](O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594636	1	39	-1.0	-41.33	320.77	1.83	-39.50
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CNC(=O)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594641	1	36	-1.0	-45.65	316.64	1.03	-44.62
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CC1=CC=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594752	1	35	-1.0	-43.75	311.12	3.97	-39.78
CC1(F)CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594753	0	36	-1.0	-41.54	311.13	4.68	-36.86
CC1(F)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594753	1	36	-1.0	-41.56	311.20	4.67	-36.89
CCSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594754	0	33	-1.0	-43.89	301.49	4.04	-39.85
CCSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594754	1	33	-1.0	-43.89	301.55	4.03	-39.86
CC1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004594755	0	37	-1.0	-44.83	314.30	4.10	-40.73
CC1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004594755	1	37	-1.0	-44.80	314.36	4.09	-40.71
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(CO1)C2	REAL250004594756	0	38	-1.0	-42.01	316.94	3.27	-38.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CO1)C2	REAL250004594756	1	38	-1.0	-42.01	317.01	3.26	-38.75
CC1(C)CC1(C#N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594757	0	37	-1.0	-43.26	321.95	4.87	-38.39
CC1(C)CC1(C#N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594757	1	37	-1.0	-43.23	322.01	4.86	-38.37
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O=C(C[C@@H]1CC=CCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594758	1	40	-1.0	-42.15	328.95	5.88	-36.27
CCC1=CNC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594759	0	37	-1.0	-43.67	322.83	4.26	-39.41
CCC1=CNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594759	1	37	-1.0	-43.69	322.89	4.25	-39.44
O=C(C=CC1CCCO1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594760	0	38	-1.0	-43.69	327.11	3.58	-40.11
O=C(C=CC1CCCO1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594760	1	38	-1.0	-43.70	327.18	3.57	-40.13
CC1=CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004594761	0	40	-1.0	-41.30	331.35	5.79	-35.51
CC1=CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594761	1	40	-1.0	-41.27	331.41	5.79	-35.48
O=C(CC12CC(C1)C2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594762	0	37	-1.0	-42.49	310.56	5.44	-37.05
O=C(CC12CC(C1)C2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594762	1	37	-1.0	-42.45	310.62	5.43	-37.02
CCC=CC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594763	0	37	-1.0	-42.00	326.79	5.53	-36.47
CCC=CC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594763	1	37	-1.0	-41.93	326.86	5.52	-36.41
O=C(CC1CC=CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594764	0	37	-1.0	-42.34	313.00	5.23	-37.11
O=C(CC1CC=CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594764	1	37	-1.0	-42.30	313.06	5.22	-37.08
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004594765	0	34	-1.0	-46.15	301.51	3.46	-42.69
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004594765	1	34	-1.0	-46.14	301.57	3.45	-42.69
O=C(CCCCCF)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594766	0	38	-1.0	-43.69	328.04	5.19	-38.50
O=C(CCCCCF)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594766	1	38	-1.0	-43.67	328.11	5.18	-38.49
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)CO1	REAL250004594767	0	33	-1.0	-47.35	295.83	2.34	-45.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)CO1	REAL250004594767	1	33	-1.0	-47.36	295.90	2.33	-45.03
CC1=NN=NN1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594768	0	34	-1.0	-53.45	306.92	2.08	-51.37
CC1=NN=NN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594768	1	34	-1.0	-53.43	306.98	2.08	-51.35
CN1N=NC=C1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594769	0	35	-1.0	-51.01	311.34	2.02	-48.99
CN1N=NC=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594769	1	35	-1.0	-50.98	311.41	2.02	-48.96
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O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(F)C=N1	REAL250004594771	1	31	-1.0	-44.00	291.60	2.56	-41.44
CC1=NN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004594772	0	34	-1.0	-49.77	309.27	1.74	-48.03
CC1=NN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004594772	1	34	-1.0	-49.76	309.34	1.73	-48.03
O=C(CC1CC2CC2C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594773	0	40	-1.0	-42.06	330.74	6.10	-35.96
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCOC1	REAL250004594774	1	35	-1.0	-42.89	299.74	2.85	-40.04
CCC1=NON=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594775	0	34	-1.0	-40.49	307.21	3.00	-37.49
CCC1=NON=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594775	1	34	-1.0	-40.46	307.27	3.00	-37.46
C=CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004594776	0	37	-1.0	-41.34	310.96	5.52	-35.82
C=CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004594776	1	37	-1.0	-41.28	311.02	5.52	-35.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(C1)OC2	REAL250004594777	0	38	-1.0	-42.21	316.96	3.11	-39.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C1)OC2	REAL250004594777	1	38	-1.0	-42.18	317.03	3.10	-39.08
CCC1=NOC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004594778	0	35	-1.0	-42.78	314.48	3.77	-39.01
CCC1=NOC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004594778	1	35	-1.0	-42.77	314.54	3.77	-39.00
C[C@@H]1C[C@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL250004594779	0	37	-1.0	-41.69	315.60	5.29	-36.40
C[C@@H]1C[C@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL250004594779	1	37	-1.0	-41.64	315.66	5.28	-36.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC(=O)O1	REAL250004594780	0	31	-1.0	-52.00	285.57	3.13	-48.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC(=O)O1	REAL250004594780	1	31	-1.0	-51.99	285.63	3.12	-48.87
CO[C@H](C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594781	0	33	-1.0	-44.36	289.47	2.80	-41.56
CO[C@H](C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594781	1	33	-1.0	-44.34	289.53	2.79	-41.55
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004594782	0	37	-1.0	-41.61	306.38	5.14	-36.47
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004594782	1	37	-1.0	-41.59	306.44	5.14	-36.45
CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004594783	0	34	-1.0	-43.21	301.38	3.38	-39.83
CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004594783	1	34	-1.0	-43.20	301.44	3.37	-39.83
CO[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004594784	0	38	-1.0	-44.45	329.32	3.67	-40.78
CO[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004594784	1	38	-1.0	-44.43	329.38	3.66	-40.77
O=C(CC1CC2(CC2)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594785	0	40	-1.0	-42.22	337.24	6.17	-36.05
O=C(CC1CC2(CC2)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594785	1	40	-1.0	-42.20	337.30	6.16	-36.04
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC1(F)F	REAL250004594786	0	30	-1.0	-43.29	280.47	3.65	-39.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC1(F)F	REAL250004594786	1	30	-1.0	-43.30	280.54	3.64	-39.66
C[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004594787	0	37	-1.0	-41.92	316.93	5.33	-36.59
C[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004594787	1	37	-1.0	-41.86	316.99	5.32	-36.54
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC(=O)O1	REAL250004594788	0	33	-1.0	-51.79	295.33	4.02	-47.77
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC(=O)O1	REAL250004594788	1	33	-1.0	-51.76	295.40	4.01	-47.75
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCC1	REAL250004594789	0	36	-1.0	-42.15	306.85	4.76	-37.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCC1	REAL250004594789	1	36	-1.0	-42.12	306.91	4.75	-37.37
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(C1)OC2	REAL250004594790	0	35	-1.0	-42.41	301.33	2.49	-39.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)OC2	REAL250004594790	1	35	-1.0	-42.40	301.40	2.48	-39.92
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004594791	0	35	-1.0	-42.34	313.31	0.58	-41.76
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004594791	1	35	-1.0	-42.31	313.37	0.58	-41.73
C[C@H]1C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H]1C	REAL250004594792	0	36	-1.0	-40.93	297.65	4.66	-36.27
C[C@H]1C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H]1C	REAL250004594792	1	36	-1.0	-40.93	297.71	4.65	-36.28
C[C@@H]1OCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594793	0	37	-1.0	-43.50	307.53	2.79	-40.71
C[C@@H]1OCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594793	1	37	-1.0	-43.47	307.60	2.78	-40.69
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC1(F)F	REAL250004594794	0	30	-1.0	-44.67	278.97	3.69	-40.98
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC1(F)F	REAL250004594794	1	30	-1.0	-44.62	279.03	3.68	-40.94
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004594795	0	33	-1.0	-45.61	290.63	4.42	-41.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004594795	1	33	-1.0	-45.59	290.69	4.41	-41.18
N#CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC(=O)C1	REAL250004594796	0	33	-1.0	-46.69	305.30	3.24	-43.45
N#CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(=O)C1	REAL250004594796	1	33	-1.0	-46.69	305.36	3.24	-43.45
CC(C)(C#N)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594797	0	39	-1.0	-47.71	332.97	4.79	-42.92
CC(C)(C#N)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594797	1	39	-1.0	-47.71	333.04	4.78	-42.93
[N-]=[N+]=NCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594798	0	28	-1.0	-44.22	266.07	-1.33	-45.55
[N-]=[N+]=NCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594798	1	28	-1.0	-44.17	266.13	-1.34	-45.51
[N-]=[N+]=NCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594799	0	31	-1.0	-41.88	287.10	-0.66	-42.54
[N-]=[N+]=NCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594799	1	31	-1.0	-41.84	287.16	-0.67	-42.51
[N-]=[N+]=NCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594800	0	34	-1.0	-44.38	308.59	0.14	-44.24
[N-]=[N+]=NCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594800	1	34	-1.0	-44.40	308.66	0.13	-44.27
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=CCCC1	REAL250004594801	0	40	-1.0	-41.41	325.49	5.62	-35.79
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=CCCC1	REAL250004594801	1	40	-1.0	-41.41	325.55	5.61	-35.80
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1	REAL250004594802	0	40	-1.0	-41.95	327.17	5.98	-35.97
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1	REAL250004594802	1	40	-1.0	-41.92	327.23	5.97	-35.95
CC(C)(F)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594803	0	38	-1.0	-42.48	322.47	4.80	-37.68
CC(C)(F)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594803	1	38	-1.0	-42.42	322.53	4.79	-37.63
O=C(CN1C=NC=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594804	0	32	-1.0	-51.22	292.00	4.56	-46.66
O=C(CN1C=NC=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594804	1	32	-1.0	-51.30	291.93	4.56	-46.74
CC(C)(CCC#N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594805	0	39	-1.0	-47.97	330.47	4.94	-43.03
CC(C)(CCC#N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594805	1	39	-1.0	-47.92	330.54	4.94	-42.98
C#CCOCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594806	0	32	-1.0	-47.42	297.32	3.58	-43.84
C#CCOCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594806	1	32	-1.0	-47.40	297.38	3.57	-43.83
C#C[C@H]1C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594807	0	32	-1.0	-44.41	290.35	4.65	-39.76
C#C[C@H]1C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594807	1	32	-1.0	-44.38	290.41	4.64	-39.74
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N1	REAL250004594808	0	31	-1.0	-49.22	281.42	-0.94	-50.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC(=O)N1	REAL250004594808	1	31	-1.0	-49.13	281.48	-0.94	-50.07
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2C3CC1CC32	REAL250004594809	0	38	-1.0	-41.99	314.53	5.64	-36.35
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2C3CC1CC32	REAL250004594809	1	38	-1.0	-41.90	314.59	5.63	-36.27
O=C(C=CC1CCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594810	0	37	-1.0	-41.77	318.94	5.42	-36.35
O=C(C=CC1CCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594810	1	37	-1.0	-41.74	319.00	5.42	-36.32
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL250004594811	0	37	-1.0	-46.38	321.32	5.08	-41.30
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL250004594811	1	37	-1.0	-46.31	321.38	5.08	-41.23
O=C(C1=CC=C2CCCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594812	0	38	-1.0	-46.24	307.27	4.17	-42.07
O=C(C1=CC=C2CCCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594812	1	38	-1.0	-46.23	307.33	4.19	-42.04
O=C(CCC1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594813	0	34	-1.0	-45.37	297.84	3.18	-42.19
O=C(CCC1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594813	1	34	-1.0	-45.39	297.90	3.21	-42.18
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004594814	0	30	-1.0	-43.30	259.05	0.92	-42.38
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004594814	1	30	-1.0	-43.32	259.10	0.95	-42.37
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1	REAL250004594815	0	38	-1.0	-48.15	310.09	4.16	-43.99
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1	REAL250004594815	1	38	-1.0	-48.19	310.15	4.18	-44.01
O=C(C1=CC=CC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594816	0	31	-1.0	-44.12	268.16	2.33	-41.79
O=C(C1=CC=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594816	1	31	-1.0	-44.10	268.22	2.35	-41.75
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594817	0	34	-1.0	-46.26	283.14	2.93	-43.33
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594817	1	34	-1.0	-46.25	283.19	2.95	-43.30
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594818	0	30	-1.0	-46.36	273.02	1.14	-45.22
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594818	1	30	-1.0	-46.38	273.08	1.16	-45.22
O=C(C1=CC=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594819	0	31	-1.0	-47.89	275.99	2.73	-45.16
O=C(C1=CC=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594819	1	31	-1.0	-47.91	276.05	2.76	-45.15
O=C(C1=CC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594820	0	30	-1.0	-43.14	255.79	1.36	-41.78
O=C(C1=CC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594820	1	30	-1.0	-43.17	255.73	1.35	-41.82
CC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004594821	0	35	-1.0	-41.48	299.54	2.78	-38.70
CC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004594821	1	35	-1.0	-41.46	299.59	2.80	-38.66
O=C(C1CC2C=CC1C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594822	0	36	-1.0	-45.68	280.89	2.86	-42.82
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CC1=CC=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594823	0	37	-1.0	-47.56	303.35	3.81	-43.75
CC1=CC=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594823	1	37	-1.0	-47.60	303.40	3.84	-43.76
O=C(C1=COCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594824	0	31	-1.0	-48.27	258.12	-0.40	-48.67
O=C(C1=COCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594824	1	31	-1.0	-48.24	258.18	-0.37	-48.61
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O=C(C1=CNC(=O)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594825	1	31	-1.0	-42.98	270.67	-0.64	-43.62
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O=C(CN1C=CC=CC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594826	1	34	-1.0	-57.15	290.42	1.87	-55.28
CC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594827	0	38	-1.0	-39.29	316.42	4.44	-34.85
CC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594827	1	38	-1.0	-39.29	316.48	4.46	-34.83
O=C(C1=CC=CN=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594828	0	30	-1.0	-39.94	271.61	0.92	-39.02
O=C(C1=CC=CN=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594828	1	30	-1.0	-39.96	271.55	0.90	-39.06
O=C(C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594829	0	31	-1.0	-46.25	261.52	2.24	-44.01
O=C(C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594829	1	31	-1.0	-46.24	261.58	2.26	-43.98
O=C(CC1=CC=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594830	0	34	-1.0	-48.94	291.64	3.31	-45.63
O=C(CC1=CC=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594830	1	34	-1.0	-48.97	291.70	3.33	-45.64
O=C(CCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594831	0	37	-1.0	-45.88	307.58	4.08	-41.80
O=C(CCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594831	1	37	-1.0	-45.88	307.64	4.11	-41.77
O=C(C1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594832	0	37	-1.0	-45.79	287.01	2.67	-43.12
O=C(C1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594832	1	37	-1.0	-45.80	287.06	2.70	-43.10
CC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594833	0	34	-1.0	-56.75	287.02	-1.39	-58.14
CC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594833	1	34	-1.0	-56.71	287.08	-1.37	-58.08
CC(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594834	0	36	-1.0	-46.21	286.74	2.36	-43.85
CC(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594834	1	36	-1.0	-46.24	286.80	2.38	-43.86
CC(=O)NC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004594835	0	40	-1.0	-43.48	314.64	0.08	-43.40
CC(=O)NC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004594835	1	40	-1.0	-43.52	314.70	0.11	-43.41
O=C(C1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594836	0	32	-1.0	-49.97	258.49	0.65	-49.32
O=C(C1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594836	1	32	-1.0	-49.99	258.55	0.68	-49.31
O=C(CN1C(=O)CNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594837	0	33	-1.0	-55.01	286.59	-2.25	-57.26
O=C(CN1C(=O)CNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594837	1	33	-1.0	-54.99	286.65	-2.22	-57.21
O=C(C1=CC=C(CO)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594838	0	35	-1.0	-47.86	294.51	-0.43	-48.29
O=C(C1=CC=C(CO)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594838	1	35	-1.0	-47.86	294.56	-0.40	-48.26
CC1=CC=CC=C1C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594839	0	38	-1.0	-39.39	312.56	4.29	-35.10
CC1=CC=CC=C1C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594839	1	38	-1.0	-39.39	312.61	4.32	-35.07
CC1=CC=CC(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594840	0	38	-1.0	-39.18	316.43	4.44	-34.74
CC1=CC=CC(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594840	1	38	-1.0	-39.17	316.48	4.46	-34.71
O=C(CN1C(=O)CCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594841	0	34	-1.0	-54.36	291.94	0.28	-54.08
O=C(CN1C(=O)CCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594841	1	34	-1.0	-54.40	291.99	0.31	-54.09
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)N1C	REAL250004594842	0	38	-1.0	-48.53	306.09	2.91	-45.62
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)N1C	REAL250004594842	1	38	-1.0	-48.53	306.15	2.92	-45.61
CC1=NC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004594843	0	33	-1.0	-51.63	291.65	1.14	-50.49
CC1=NC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004594843	1	33	-1.0	-51.61	291.71	1.17	-50.44
CSCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594844	0	31	-1.0	-44.50	270.94	1.54	-42.96
CSCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594844	1	31	-1.0	-44.46	271.00	1.56	-42.90
CC(C)(C)SCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594845	0	37	-1.0	-47.81	305.61	2.76	-45.05
CC(C)(C)SCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594845	1	37	-1.0	-47.78	305.66	2.79	-44.99
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CC1=O	REAL250004594846	0	33	-1.0	-43.87	281.83	-0.11	-43.98
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC1=O	REAL250004594846	1	33	-1.0	-43.92	281.88	-0.09	-44.01
O=C(C1=CC=[N+]([O-])C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594847	0	31	-1.0	-52.10	268.71	0.89	-51.21
O=C(C1=CC=[N+]([O-])C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594847	1	31	-1.0	-52.06	268.77	0.91	-51.15
O=C(CCC1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594848	0	43	-1.0	-46.16	328.37	4.24	-41.92
O=C(CCC1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594848	1	43	-1.0	-46.13	328.42	4.26	-41.87
O=C(C1=CC=C(Cl)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594849	0	28	-1.0	-42.23	267.45	1.80	-40.43
O=C(C1=CC=C(Cl)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594849	1	28	-1.0	-42.22	267.51	1.82	-40.40
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004594850	0	31	-1.0	-40.22	264.53	1.35	-38.87
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004594850	1	31	-1.0	-40.21	264.59	1.37	-38.84
N#CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594851	0	32	-1.0	-49.43	281.65	2.61	-46.82
N#CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594851	1	32	-1.0	-49.40	281.71	2.63	-46.77
O=C(CC1=CC=CC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594852	0	34	-1.0	-48.57	292.63	3.35	-45.22
O=C(CC1=CC=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594852	1	34	-1.0	-48.58	292.69	3.37	-45.21
O=C(CC1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594853	0	40	-1.0	-46.48	306.06	3.56	-42.92
O=C(CC1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594853	1	40	-1.0	-46.47	306.11	3.58	-42.89
CC(=O)NC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594854	0	34	-1.0	-44.63	284.08	-1.42	-46.05
CC(=O)NC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594854	1	34	-1.0	-44.55	284.14	-1.40	-45.95
CC(NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594855	0	33	-1.0	-45.25	277.00	-4.19	-49.44
CC(NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594855	1	33	-1.0	-45.23	277.05	-4.17	-49.40
O=C(C1=CC2=CC=CC=C2O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594856	0	34	-1.0	-44.09	289.96	3.05	-41.04
O=C(C1=CC2=CC=CC=C2O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594856	1	34	-1.0	-44.12	290.02	3.07	-41.05
O=C(C1=NNC(=O)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594857	0	30	-1.0	-43.62	260.49	-1.73	-45.35
O=C(C1=NNC(=O)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594857	1	30	-1.0	-43.61	260.55	-1.70	-45.31
O=C(CC1=CC=C(F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594858	0	34	-1.0	-48.06	292.60	3.33	-44.73
O=C(CC1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594858	1	34	-1.0	-48.10	292.66	3.36	-44.74
CC(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594859	0	32	-1.0	-45.10	270.80	0.97	-44.13
CC(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594859	1	32	-1.0	-45.07	270.85	0.99	-44.08
O=C(C1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594860	0	28	-1.0	-45.04	250.44	1.17	-43.87
O=C(C1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594860	1	28	-1.0	-45.03	250.50	1.20	-43.83
CC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004594861	0	32	-1.0	-40.64	272.10	0.08	-40.56
CC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004594861	1	32	-1.0	-40.64	272.15	0.10	-40.54
O=C(C1=CC=C(F)C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594862	0	31	-1.0	-47.27	273.82	2.38	-44.89
O=C(C1=CC=C(F)C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594862	1	31	-1.0	-47.25	273.88	2.40	-44.85
O=C(CC1=CSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594863	0	31	-1.0	-47.19	276.17	2.21	-44.98
O=C(CC1=CSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594863	1	31	-1.0	-47.19	276.23	2.24	-44.95
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594864	0	34	-1.0	-45.89	283.18	2.94	-42.95
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594864	1	34	-1.0	-45.82	283.23	2.97	-42.85
O=C(COC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594865	0	35	-1.0	-50.44	295.11	3.20	-47.24
O=C(COC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594865	1	35	-1.0	-50.40	295.17	3.22	-47.18
COC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594866	0	35	-1.0	-50.32	290.36	2.27	-48.05
COC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594866	1	35	-1.0	-50.31	290.42	2.30	-48.01
CC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594867	0	31	-1.0	-45.26	264.84	-2.06	-47.32
CC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594867	1	31	-1.0	-45.29	264.90	-2.04	-47.33
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=C1	REAL250004594868	0	31	-1.0	-44.97	269.95	1.88	-43.09
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=C1	REAL250004594868	1	31	-1.0	-44.95	270.00	1.90	-43.05
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004594869	0	31	-1.0	-38.89	273.28	2.05	-36.84
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004594869	1	31	-1.0	-38.90	273.33	2.06	-36.84
O=C(C1=CC=CC(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594870	0	31	-1.0	-43.85	278.47	2.77	-41.08
O=C(C1=CC=CC(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594870	1	31	-1.0	-43.81	278.53	2.79	-41.02
O=C(C=CC1=CC=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594871	0	32	-1.0	-41.15	277.59	1.95	-39.20
O=C(C=CC1=CC=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594871	1	32	-1.0	-41.15	277.64	1.97	-39.18
COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594872	0	35	-1.0	-46.08	291.14	1.55	-44.53
COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594872	1	35	-1.0	-46.07	291.20	1.57	-44.50
O=C(C1=CC=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594873	0	31	-1.0	-50.25	267.52	2.30	-47.95
O=C(C1=CC=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594873	1	31	-1.0	-50.26	267.57	2.33	-47.93
O=C(C1CCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594874	0	32	-1.0	-53.03	267.50	-1.91	-54.94
O=C(C1CCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594874	1	32	-1.0	-52.98	267.56	-1.89	-54.87
CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594875	0	37	-1.0	-45.47	304.66	3.71	-41.76
CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594875	1	37	-1.0	-45.44	304.72	3.73	-41.71
O=C(C1=NNC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594876	0	34	-1.0	-48.06	287.57	1.54	-46.52
O=C(C1=NNC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594876	1	34	-1.0	-48.05	287.63	1.57	-46.48
COC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594877	0	35	-1.0	-48.36	291.22	1.56	-46.80
COC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594877	1	35	-1.0	-48.38	291.27	1.58	-46.80
O=C(C1=CC=C[N+]([O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594878	0	31	-1.0	-53.04	267.87	0.75	-52.29
O=C(C1=CC=C[N+]([O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594878	1	31	-1.0	-53.06	267.93	0.78	-52.28
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=C1	REAL250004594879	0	37	-1.0	-45.41	301.57	3.54	-41.87
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=C1	REAL250004594879	1	37	-1.0	-45.40	301.62	3.56	-41.84
O=C(C1=CC=C(Cl)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594880	0	30	-1.0	-39.53	273.43	0.83	-38.70
O=C(C1=CC=C(Cl)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594880	1	30	-1.0	-39.56	273.37	0.80	-38.76
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594881	0	32	-1.0	-46.28	282.54	2.64	-43.64
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594881	1	32	-1.0	-46.26	282.60	2.66	-43.60
O=C(C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594882	0	34	-1.0	-46.20	265.46	1.98	-44.22
O=C(C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594882	1	34	-1.0	-46.22	265.52	2.01	-44.21
CC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594883	0	34	-1.0	-45.49	280.50	2.93	-42.56
CC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594883	1	34	-1.0	-45.48	280.56	2.96	-42.52
CC1=CC=C(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594884	0	37	-1.0	-45.36	302.82	3.56	-41.80
CC1=CC=C(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594884	1	37	-1.0	-45.37	302.88	3.59	-41.78
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL250004594885	0	37	-1.0	-45.88	303.60	3.56	-42.32
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL250004594885	1	37	-1.0	-45.91	303.66	3.58	-42.33
O=C(CCC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594886	0	40	-1.0	-46.33	311.88	3.69	-42.64
O=C(CCC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594886	1	40	-1.0	-46.31	311.94	3.71	-42.60
O=C(C1=CC=CC(Cl)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594887	0	30	-1.0	-44.57	272.78	1.79	-42.78
O=C(C1=CC=CC(Cl)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594887	1	30	-1.0	-44.58	272.72	1.76	-42.82
O=C(C1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594888	0	30	-1.0	-44.85	256.69	0.54	-44.31
O=C(C1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594888	1	30	-1.0	-44.84	256.64	0.51	-44.33
O=C(C1=CC=C(F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594889	0	31	-1.0	-44.01	268.11	2.31	-41.70
O=C(C1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594889	1	31	-1.0	-43.99	268.17	2.34	-41.65
O=C(C1=CC=C(Cl)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594890	0	31	-1.0	-43.83	278.43	2.76	-41.07
O=C(C1=CC=C(Cl)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594890	1	31	-1.0	-43.81	278.49	2.79	-41.02
O=C(C1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594891	0	30	-1.0	-45.01	254.74	0.36	-44.65
O=C(C1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594891	1	30	-1.0	-45.01	254.68	0.34	-44.67
O=C(CC1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594892	0	31	-1.0	-47.22	276.42	2.40	-44.82
O=C(CC1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594892	1	31	-1.0	-47.20	276.48	2.43	-44.77
CC1=NOC(C)=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594893	0	36	-1.0	-51.17	303.50	2.06	-49.11
CC1=NOC(C)=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594893	1	36	-1.0	-51.13	303.55	2.09	-49.04
O=C(C1=CC=C(F)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594894	0	31	-1.0	-45.17	274.50	2.41	-42.76
O=C(C1=CC=C(F)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594894	1	31	-1.0	-45.15	274.56	2.42	-42.73
O=C(C1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594895	0	35	-1.0	-37.38	277.97	0.30	-37.08
O=C(C1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594895	1	35	-1.0	-37.41	278.03	0.33	-37.08
O=C(CCC1=CSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594896	0	34	-1.0	-45.39	297.57	3.00	-42.39
O=C(CCC1=CSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594896	1	34	-1.0	-45.36	297.63	3.03	-42.33
O=C(CC1C=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594897	0	35	-1.0	-47.15	281.53	2.83	-44.32
O=C(CC1C=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594897	1	35	-1.0	-47.13	281.59	2.86	-44.27
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)S1	REAL250004594898	0	34	-1.0	-44.97	292.89	2.79	-42.18
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)S1	REAL250004594898	1	34	-1.0	-44.99	292.95	2.81	-42.18
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CO1	REAL250004594899	0	31	-1.0	-45.68	263.28	1.15	-44.53
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CO1	REAL250004594899	1	31	-1.0	-45.64	263.34	1.17	-44.47
NC(=O)NCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594900	0	39	-1.0	-56.60	322.90	-2.61	-59.21
NC(=O)NCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594900	1	39	-1.0	-56.59	322.96	-2.58	-59.17
O=C(C1=CSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594901	0	28	-1.0	-46.03	250.29	1.16	-44.87
O=C(C1=CSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594901	1	28	-1.0	-46.04	250.35	1.19	-44.85
O=C(C1=CC(F)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594902	0	31	-1.0	-40.01	274.28	2.39	-37.62
O=C(C1=CC(F)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594902	1	31	-1.0	-39.96	274.34	2.41	-37.55
O=C(CCC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594903	0	36	-1.0	-47.17	302.42	2.30	-44.87
O=C(CCC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594903	1	36	-1.0	-47.16	302.48	2.33	-44.83
CC(C)(C)C(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594904	0	40	-1.0	-44.29	323.57	-0.03	-44.32
CC(C)(C)C(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594904	1	40	-1.0	-44.32	323.63	-0.01	-44.33
O=C(C1=CC2=CC=CC=C2N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594905	0	35	-1.0	-44.98	292.06	2.70	-42.28
O=C(C1=CC2=CC=CC=C2N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594905	1	35	-1.0	-44.99	292.12	2.72	-42.27
O=C(CN1CCCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594906	0	35	-1.0	-54.27	291.19	0.90	-53.37
O=C(CN1CCCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594906	1	35	-1.0	-54.23	291.25	0.92	-53.31
CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004594907	0	37	-1.0	-47.77	307.59	3.95	-43.82
CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004594907	1	37	-1.0	-47.78	307.65	3.98	-43.80
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SN=N1	REAL250004594908	0	32	-1.0	-40.99	281.04	0.19	-40.80
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SN=N1	REAL250004594908	1	32	-1.0	-40.99	281.10	0.21	-40.78
O=C(C1=CN2C=CC=CC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594909	0	34	-1.0	-49.41	288.75	3.60	-45.81
O=C(C1=CN2C=CC=CC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594909	1	34	-1.0	-49.44	288.70	3.58	-45.86
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1F	REAL250004594910	0	34	-1.0	-46.65	287.49	2.94	-43.71
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1F	REAL250004594910	1	34	-1.0	-46.65	287.55	2.97	-43.68
O=C(CN1CCSC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594911	0	33	-1.0	-55.70	290.06	0.57	-55.13
O=C(CN1CCSC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594911	1	33	-1.0	-55.68	290.12	0.59	-55.09
CC(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594912	0	35	-1.0	-56.51	292.37	1.76	-54.75
CC(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594912	1	35	-1.0	-56.50	292.43	1.78	-54.72
CC1=CC(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004594913	0	34	-1.0	-48.73	294.94	0.14	-48.59
CC1=CC(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004594913	1	34	-1.0	-48.75	295.00	0.17	-48.58
CC1=NNC(C)=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594914	0	37	-1.0	-51.12	306.60	0.84	-50.28
CC1=NNC(C)=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594914	1	37	-1.0	-51.14	306.55	0.81	-50.33
CC1=NSC(N)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594915	0	32	-1.0	-43.58	285.56	-1.42	-45.00
CC1=NSC(N)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594915	1	32	-1.0	-43.60	285.62	-1.39	-44.99
O=C(CN1C=NN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594916	0	29	-1.0	-61.31	255.07	-0.18	-61.49
O=C(CN1C=NN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594916	1	29	-1.0	-61.35	255.01	-0.21	-61.56
CC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594917	0	30	-1.0	-41.39	259.08	0.38	-41.01
CC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594917	1	30	-1.0	-41.36	259.14	0.41	-40.95
CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004594918	0	34	-1.0	-44.57	293.77	2.77	-41.80
CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004594918	1	34	-1.0	-44.56	293.83	2.79	-41.77
CC1=NOC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594919	0	33	-1.0	-43.17	285.40	1.39	-41.78
CC1=NOC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594919	1	33	-1.0	-43.16	285.46	1.42	-41.74
CCC1=NOC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594920	0	36	-1.0	-42.88	305.15	2.07	-40.81
CCC1=NOC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594920	1	36	-1.0	-42.87	305.21	2.09	-40.78
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004594921	0	31	-1.0	-46.88	263.37	-0.03	-46.91
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004594921	1	31	-1.0	-46.86	263.31	-0.05	-46.91
NC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594922	0	33	-1.0	-57.12	279.94	-4.18	-61.30
NC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594922	1	33	-1.0	-57.12	280.00	-4.15	-61.27
O=C(CN1CSCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594923	0	33	-1.0	-53.16	290.49	0.60	-52.56
O=C(CN1CSCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594923	1	33	-1.0	-53.17	290.54	0.62	-52.55
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SN=N1	REAL250004594924	0	29	-1.0	-37.60	262.04	-0.52	-38.12
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SN=N1	REAL250004594924	1	29	-1.0	-37.61	262.10	-0.50	-38.11
CN1C=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004594925	0	35	-1.0	-50.40	298.64	1.61	-48.79
CN1C=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004594925	1	35	-1.0	-50.39	298.70	1.63	-48.76
O=C(C1=CC=NC(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594926	0	30	-1.0	-45.01	272.51	0.93	-44.08
O=C(C1=CC=NC(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594926	1	30	-1.0	-45.05	272.45	0.91	-44.14
COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004594927	0	34	-1.0	-45.04	287.77	-1.01	-46.05
COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004594927	1	34	-1.0	-45.03	287.71	-1.03	-46.06
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1C	REAL250004594928	0	35	-1.0	-46.02	283.93	2.17	-43.85
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1C	REAL250004594928	1	35	-1.0	-46.04	283.99	2.19	-43.85
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=C1	REAL250004594929	0	31	-1.0	-40.20	260.39	1.18	-39.02
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=C1	REAL250004594929	1	31	-1.0	-40.20	260.45	1.21	-38.99
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004594930	0	35	-1.0	-41.35	291.18	-0.06	-41.41
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004594930	1	35	-1.0	-41.37	291.24	-0.04	-41.41
O=C(C1CC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594931	0	35	-1.0	-45.37	278.97	2.66	-42.71
O=C(C1CC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594931	1	35	-1.0	-45.38	279.03	2.67	-42.71
O=C(CCC1=CC=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594932	0	34	-1.0	-46.39	288.34	2.20	-44.19
O=C(CCC1=CC=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594932	1	34	-1.0	-46.39	288.40	2.22	-44.17
O=C(C1=CC(Cl)=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594933	0	29	-1.0	-46.34	262.45	1.11	-45.23
O=C(C1=CC(Cl)=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594933	1	29	-1.0	-46.31	262.50	1.13	-45.18
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594934	0	31	-1.0	-50.02	275.52	1.33	-48.69
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594934	1	31	-1.0	-50.02	275.58	1.35	-48.67
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004594935	0	35	-1.0	-42.47	281.55	1.79	-40.68
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004594935	1	35	-1.0	-42.47	281.61	1.80	-40.67
CC1=C(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004594936	0	37	-1.0	-45.77	310.23	2.70	-43.07
CC1=C(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004594936	1	37	-1.0	-45.77	310.28	2.72	-43.05
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL250004594937	0	37	-1.0	-45.64	298.52	3.44	-42.20
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL250004594937	1	37	-1.0	-45.65	298.58	3.46	-42.19
O=C(C1=CN=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594938	0	29	-1.0	-40.87	250.47	-0.50	-41.37
O=C(C1=CN=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594938	1	29	-1.0	-40.91	250.41	-0.53	-41.44
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL250004594939	0	37	-1.0	-46.21	300.15	3.49	-42.72
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL250004594939	1	37	-1.0	-46.20	300.21	3.50	-42.70
O=C(CC1CC2CCC1C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594940	0	41	-1.0	-47.08	311.19	3.87	-43.21
O=C(CC1CC2CCC1C2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594940	1	41	-1.0	-47.08	311.24	3.90	-43.18
COCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004594941	0	35	-1.0	-42.29	298.19	0.41	-41.88
COCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004594941	1	35	-1.0	-42.28	298.25	0.43	-41.85
CN1C=C(Cl)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594942	0	32	-1.0	-43.93	281.89	2.23	-41.70
CN1C=C(Cl)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594942	1	32	-1.0	-43.90	281.94	2.24	-41.66
O=C(CN1C=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594943	0	31	-1.0	-54.82	266.50	0.68	-54.14
O=C(CN1C=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594943	1	31	-1.0	-54.79	266.44	0.66	-54.13
O=C(C1=CC(F)=CC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594944	0	31	-1.0	-42.62	272.68	2.33	-40.29
O=C(C1=CC(F)=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594944	1	31	-1.0	-42.60	272.74	2.36	-40.24
CC(=O)C1=CNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594945	0	34	-1.0	-56.79	288.39	1.02	-55.77
CC(=O)C1=CNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594945	1	34	-1.0	-56.79	288.45	1.03	-55.76
O=C(CC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594946	0	37	-1.0	-46.54	289.45	2.92	-43.62
O=C(CC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594946	1	37	-1.0	-46.54	289.51	2.95	-43.59
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004594947	0	34	-1.0	-45.10	283.99	1.96	-43.14
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004594947	1	34	-1.0	-45.08	284.05	1.98	-43.10
CC1=NN(C)C(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594948	0	37	-1.0	-46.89	310.35	1.31	-45.58
CC1=NN(C)C(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594948	1	37	-1.0	-46.91	310.41	1.33	-45.58
CC1=CC=C(F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594949	0	34	-1.0	-44.13	287.83	2.96	-41.17
CC1=CC=C(F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594949	1	34	-1.0	-44.15	287.88	2.99	-41.16
CCOC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594950	0	35	-1.0	-45.11	297.53	-1.74	-46.85
CCOC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594950	1	35	-1.0	-45.08	297.59	-1.71	-46.79
CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004594951	0	34	-1.0	-40.40	286.01	2.13	-38.27
CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004594951	1	34	-1.0	-40.45	286.07	2.16	-38.29
O=C(C1=CC=C(Cl)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594952	0	28	-1.0	-41.30	260.00	1.26	-40.04
O=C(C1=CC=C(Cl)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594952	1	28	-1.0	-41.30	260.05	1.29	-40.01
CCOC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594953	0	38	-1.0	-53.33	319.70	-1.06	-54.39
CCOC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594953	1	38	-1.0	-53.33	319.76	-1.03	-54.36
O=C(C1CC2CCC1C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594954	0	38	-1.0	-46.31	288.69	2.97	-43.34
O=C(C1CC2CCC1C2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594954	1	38	-1.0	-46.30	288.74	2.99	-43.31
CCCC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594955	0	37	-1.0	-42.96	304.92	1.22	-41.74
CCCC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594955	1	37	-1.0	-42.96	304.98	1.25	-41.71
O=C(CC1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594956	0	33	-1.0	-49.31	281.07	1.52	-47.79
O=C(CC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594956	1	33	-1.0	-49.27	281.13	1.54	-47.73
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004594957	0	33	-1.0	-46.58	277.15	1.07	-45.51
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004594957	1	33	-1.0	-46.61	277.21	1.10	-45.51
CN1C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594958	0	32	-1.0	-46.28	263.26	1.68	-44.60
CN1C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594958	1	32	-1.0	-46.27	263.32	1.70	-44.57
O=C(C1=NOC(C2CC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594959	0	34	-1.0	-42.78	290.68	2.51	-40.27
O=C(C1=NOC(C2CC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594959	1	34	-1.0	-42.78	290.74	2.53	-40.25
CC1=NOC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004594960	0	35	-1.0	-46.55	299.16	-0.33	-46.88
CC1=NOC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004594960	1	35	-1.0	-46.57	299.22	-0.31	-46.88
CC1=C(C)SC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594961	0	34	-1.0	-44.92	291.56	2.59	-42.33
CC1=C(C)SC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594961	1	34	-1.0	-44.93	291.61	2.61	-42.32
O=C(C1=C2NN=CC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594962	0	34	-1.0	-50.26	288.84	0.95	-49.31
O=C(C1=C2NN=CC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594962	1	34	-1.0	-50.22	288.90	0.97	-49.25
O=C(C1=CC=CC2=CNN=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594962	1	34	-1.0	-49.79	289.14	1.03	-48.76
O=C(C1=CC=CC2=CNN=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594962	1	34	-1.0	-49.81	289.20	1.05	-48.76
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004594963	0	34	-1.0	-46.45	283.36	0.50	-45.95
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004594963	1	34	-1.0	-46.47	283.41	0.52	-45.95
CCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594964	0	36	-1.0	-46.39	290.67	2.61	-43.78
CCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594964	1	36	-1.0	-46.41	290.73	2.64	-43.77
CC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594965	0	36	-1.0	-45.21	279.37	2.17	-43.04
CC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594965	1	36	-1.0	-45.18	279.42	2.20	-42.98
O=C(C1CC1(Cl)Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594966	0	28	-1.0	-44.54	269.21	2.04	-42.50
O=C(C1CC1(Cl)Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594966	1	28	-1.0	-44.53	269.26	2.07	-42.46
CC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004594967	0	33	-1.0	-38.92	287.12	0.77	-38.15
CC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004594967	1	33	-1.0	-38.90	287.17	0.80	-38.10
O=C(CCN1C=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594968	0	33	-1.0	-46.74	283.39	2.71	-44.03
O=C(CCN1C=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594968	1	33	-1.0	-46.78	283.33	2.69	-44.09
O=C(CNC(=O)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594969	0	35	-1.0	-44.92	295.66	-0.49	-45.41
O=C(CNC(=O)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594969	1	35	-1.0	-44.87	295.72	-0.47	-45.34
COC1=NC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594970	0	34	-1.0	-50.43	288.03	-0.29	-50.72
COC1=NC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594970	1	34	-1.0	-50.41	287.97	-0.31	-50.72
CCCCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594971	0	37	-1.0	-47.97	313.71	3.22	-44.75
CCCCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594971	1	37	-1.0	-47.96	313.76	3.24	-44.72
CCCCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594972	0	45	-1.0	-46.36	355.17	4.97	-41.39
CCCCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594972	1	45	-1.0	-46.38	355.23	4.99	-41.39
CCCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594973	0	42	-1.0	-46.42	333.67	4.19	-42.23
CCCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594973	1	42	-1.0	-46.39	333.73	4.21	-42.18
CCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594974	0	39	-1.0	-46.48	312.17	3.40	-43.08
CCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594974	1	39	-1.0	-46.44	312.23	3.43	-43.01
O=C(CCN1C=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594975	0	34	-1.0	-45.66	288.63	1.30	-44.36
O=C(CCN1C=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594975	1	34	-1.0	-45.67	288.58	1.27	-44.40
O=C(C1=C(F)C=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594976	0	31	-1.0	-50.61	278.23	2.50	-48.11
O=C(C1=C(F)C=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594976	1	31	-1.0	-50.58	278.28	2.53	-48.05
O=C(C1=CC=CNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594977	0	31	-1.0	-62.00	270.39	-0.66	-62.66
O=C(C1=CC=CNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594977	1	31	-1.0	-62.01	270.44	-0.64	-62.65
CC(C)SCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594978	0	34	-1.0	-47.91	288.98	2.27	-45.64
CC(C)SCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594978	1	34	-1.0	-47.94	289.04	2.29	-45.65
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004594979	0	33	-1.0	-43.40	277.45	1.94	-41.46
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004594979	1	33	-1.0	-43.40	277.50	1.97	-41.43
O=C(C1=C2C=NNC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594980	0	34	-1.0	-40.51	288.34	0.88	-39.63
O=C(C1=C2C=NNC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594980	1	34	-1.0	-40.54	288.39	0.90	-39.64
O=C(C1=CC=CC=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594981	0	32	-1.0	-40.61	272.19	-0.18	-40.79
O=C(C1=CC=CC=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594981	1	32	-1.0	-40.59	272.25	-0.15	-40.74
O=C(C1=CC2=CNN=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594982	0	34	-1.0	-51.62	287.30	0.92	-50.70
O=C(C1=CC2=CNN=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594982	1	34	-1.0	-51.62	287.36	0.95	-50.67
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1O	REAL250004594983	0	35	-1.0	-40.89	292.28	0.58	-40.31
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1O	REAL250004594983	1	35	-1.0	-40.89	292.34	0.61	-40.28
O=C(C1=CC(C2CC2)=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594984	0	35	-1.0	-43.09	291.90	1.21	-41.88
O=C(C1=CC(C2CC2)=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594984	1	35	-1.0	-43.10	291.96	1.23	-41.87
CC1=CC=C(O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004594985	0	35	-1.0	-40.94	293.60	0.50	-40.44
CC1=CC=C(O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004594985	1	35	-1.0	-40.96	293.66	0.52	-40.44
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1O	REAL250004594986	0	35	-1.0	-47.45	291.87	0.12	-47.33
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1O	REAL250004594986	1	35	-1.0	-47.48	291.93	0.15	-47.33
CN1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL250004594987	0	38	-1.0	-42.91	302.78	0.68	-42.23
CN1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL250004594987	1	38	-1.0	-42.91	302.84	0.71	-42.20
CN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004594988	0	34	-1.0	-47.63	291.03	1.23	-46.40
CN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004594988	1	34	-1.0	-47.63	291.08	1.25	-46.38
CCN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL250004594989	0	38	-1.0	-48.29	307.49	1.00	-47.29
CCN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL250004594989	1	38	-1.0	-48.33	307.55	1.02	-47.31
N#CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594990	0	29	-1.0	-55.57	270.06	1.38	-54.19
N#CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594990	1	29	-1.0	-55.57	270.12	1.41	-54.16
CS(=O)(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594991	0	33	-1.0	-51.75	289.81	-2.16	-53.91
CS(=O)(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594991	1	33	-1.0	-51.77	289.87	-2.13	-53.90
CN1N=CC=C1C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594992	0	35	-1.0	-40.12	297.57	1.40	-38.72
CN1N=CC=C1C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594992	1	35	-1.0	-40.17	297.63	1.42	-38.75
CNC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594993	0	36	-1.0	-44.98	295.27	1.29	-43.69
CNC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594993	1	36	-1.0	-45.00	295.32	1.32	-43.68
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004594994	0	34	-1.0	-49.34	284.33	0.95	-48.39
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004594994	1	34	-1.0	-49.32	284.27	0.92	-48.40
CCC1=NNC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594995	0	34	-1.0	-39.54	283.80	0.05	-39.49
CCC1=NNC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594995	1	34	-1.0	-39.55	283.86	0.07	-39.48
O=C(CN1C=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594996	0	30	-1.0	-56.75	261.25	2.11	-54.64
O=C(CN1C=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594996	1	30	-1.0	-56.76	261.19	2.08	-54.68
O=C(CSC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594997	0	28	-1.0	-45.06	268.97	1.35	-43.71
O=C(CSC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594997	1	28	-1.0	-45.02	269.03	1.38	-43.64
CC(C)OCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594998	0	37	-1.0	-44.84	302.01	1.08	-43.76
CC(C)OCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594998	1	37	-1.0	-44.84	302.07	1.11	-43.73
O=C(CN1C=CC=NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004594999	0	33	-1.0	-63.11	285.30	-0.33	-63.44
O=C(CN1C=CC=NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004594999	1	33	-1.0	-63.12	285.36	-0.30	-63.42
CCC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595000	0	34	-1.0	-43.11	283.42	0.45	-42.66
CCC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595000	1	34	-1.0	-43.09	283.48	0.47	-42.62
O=C(C1COCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595001	0	33	-1.0	-47.44	266.53	-0.57	-48.01
O=C(C1COCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595001	1	33	-1.0	-47.45	266.59	-0.54	-47.99
CCCCCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595002	0	43	-1.0	-49.19	346.75	3.78	-45.41
CCCCCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595002	1	43	-1.0	-49.15	346.81	3.80	-45.35
COC(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595003	0	30	-1.0	-54.42	258.12	1.25	-53.17
COC(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595003	1	30	-1.0	-54.40	258.18	1.28	-53.12
O=C(CCC1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595004	0	38	-1.0	-46.33	304.45	1.41	-44.92
O=C(CCC1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595004	1	38	-1.0	-46.30	304.51	1.44	-44.86
COCCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595005	0	35	-1.0	-47.70	304.38	0.71	-46.99
COCCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595005	1	35	-1.0	-47.74	304.44	0.74	-47.00
O=C(CN1CCCCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595006	0	38	-1.0	-53.67	306.52	1.52	-52.15
O=C(CN1CCCCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595006	1	38	-1.0	-53.69	306.57	1.55	-52.14
O=C(CN1CCCNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595007	0	37	-1.0	-55.14	301.70	-0.57	-55.71
O=C(CN1CCCNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595007	1	37	-1.0	-55.14	301.76	-0.54	-55.68
CC(=O)N(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595008	0	34	-1.0	-53.82	282.25	0.22	-53.60
CC(=O)N(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595008	1	34	-1.0	-53.87	282.31	0.24	-53.63
CCC(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595009	0	36	-1.0	-45.94	283.44	2.06	-43.88
CCC(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595009	1	36	-1.0	-45.92	283.50	2.09	-43.83
CN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL250004595010	0	35	-1.0	-54.18	284.79	-0.02	-54.20
CN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL250004595010	1	35	-1.0	-54.22	284.85	0.00	-54.22
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1C#N	REAL250004595011	0	34	-1.0	-44.51	296.04	2.17	-42.34
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1C#N	REAL250004595011	1	34	-1.0	-44.53	296.10	2.19	-42.34
CC1=NNC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595012	0	31	-1.0	-47.87	262.20	-0.71	-48.58
CC1=NNC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595012	1	31	-1.0	-47.85	262.26	-0.68	-48.53
O=C(C1=CSN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595013	0	26	-1.0	-43.67	240.72	-0.75	-44.42
O=C(C1=CSN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595013	1	26	-1.0	-43.64	240.66	-0.77	-44.41
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004595014	0	34	-1.0	-46.40	287.84	-1.02	-47.42
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004595014	1	34	-1.0	-46.39	287.78	-1.03	-47.42
CCCCC(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595015	0	42	-1.0	-46.28	320.66	3.43	-42.85
CCCCC(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595015	1	42	-1.0	-46.28	320.72	3.46	-42.82
COC(=O)N(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595016	0	35	-1.0	-52.83	296.69	0.21	-52.62
COC(=O)N(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595016	1	35	-1.0	-52.80	296.75	0.24	-52.56
CCC(=O)NC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595017	0	37	-1.0	-44.24	304.37	-0.60	-44.84
CCC(=O)NC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595017	1	37	-1.0	-44.21	304.42	-0.58	-44.79
O=C(C1=CC=CC=[N+]1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004595018	0	31	-1.0	-59.63	265.76	1.18	-58.45
O=C(C1=CC=CC=[N+]1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004595018	1	31	-1.0	-59.63	265.82	1.21	-58.42
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=N1	REAL250004595019	0	30	-1.0	-38.36	264.95	-0.00	-38.36
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=N1	REAL250004595019	1	30	-1.0	-38.36	265.01	0.01	-38.35
O=C(C1=C2C=CNC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595020	0	35	-1.0	-51.32	293.32	2.28	-49.04
O=C(C1=C2C=CNC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595020	1	35	-1.0	-51.27	293.38	2.31	-48.96
CCOCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595021	0	37	-1.0	-49.24	303.20	1.09	-48.15
CCOCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595021	1	37	-1.0	-49.22	303.26	1.11	-48.11
O=C(COCC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595022	0	35	-1.0	-49.77	292.46	2.23	-47.54
O=C(COCC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595022	1	35	-1.0	-49.74	292.52	2.25	-47.49
O=C(CC1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595023	0	35	-1.0	-50.74	282.22	1.27	-49.47
O=C(CC1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595023	1	35	-1.0	-50.75	282.27	1.30	-49.45
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL250004595024	0	33	-1.0	-62.80	281.92	-1.73	-64.53
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL250004595024	1	33	-1.0	-62.79	281.97	-1.71	-64.50
CC1=CNC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595025	0	32	-1.0	-50.94	268.45	0.82	-50.12
CC1=CNC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595025	1	32	-1.0	-50.94	268.51	0.85	-50.09
CSC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595026	0	31	-1.0	-48.03	264.92	1.18	-46.85
CSC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595026	1	31	-1.0	-48.03	264.97	1.20	-46.83
CCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595027	0	34	-1.0	-48.95	276.80	1.09	-47.86
CCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595027	1	34	-1.0	-48.94	276.85	1.12	-47.82
O=C(C1=CC=C2C=CNC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595028	0	35	-1.0	-47.73	293.15	2.28	-45.45
O=C(C1=CC=C2C=CNC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595028	1	35	-1.0	-47.74	293.20	2.31	-45.43
NC(=O)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004595029	0	33	-1.0	-51.76	282.53	-3.12	-54.88
NC(=O)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004595029	1	33	-1.0	-51.78	282.58	-3.10	-54.88
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004595030	0	37	-1.0	-46.34	304.59	1.23	-45.11
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004595030	1	37	-1.0	-46.34	304.65	1.25	-45.09
CC(C)C1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595031	0	37	-1.0	-42.83	302.27	0.98	-41.85
CC(C)C1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595031	1	37	-1.0	-42.84	302.33	1.00	-41.84
CCOC(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595032	0	33	-1.0	-54.17	279.99	2.17	-52.00
CCOC(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595032	1	33	-1.0	-54.18	280.04	2.20	-51.98
O=C(CCC1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595033	0	36	-1.0	-46.86	302.46	2.32	-44.54
O=C(CCC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595033	1	36	-1.0	-46.86	302.52	2.34	-44.52
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CC1=O	REAL250004595034	0	34	-1.0	-43.14	290.79	1.20	-41.94
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC1=O	REAL250004595034	1	34	-1.0	-43.17	290.84	1.23	-41.94
CC(C)(C#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595035	0	31	-1.0	-50.57	255.77	0.53	-50.04
CC(C)(C#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595035	1	31	-1.0	-50.59	255.82	0.55	-50.04
N#CCC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595037	0	35	-1.0	-52.97	303.98	3.42	-49.55
N#CCC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595037	1	35	-1.0	-52.96	304.03	3.45	-49.51
O=C(C1CCC(=O)NC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595038	0	35	-1.0	-40.28	283.29	-1.33	-41.61
O=C(C1CCC(=O)NC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595038	1	35	-1.0	-40.30	283.35	-1.31	-41.61
COCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595039	0	34	-1.0	-49.20	281.34	0.12	-49.08
COCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595039	1	34	-1.0	-49.21	281.40	0.15	-49.06
O=C(C1=NNC2=C1CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595040	0	35	-1.0	-44.57	286.75	1.17	-43.40
O=C(C1=NNC2=C1CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595040	1	35	-1.0	-44.55	286.81	1.20	-43.35
CC(F)(F)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595041	0	33	-1.0	-44.16	280.29	1.97	-42.19
CC(F)(F)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595041	1	33	-1.0	-44.17	280.35	1.99	-42.18
O=C(COC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595042	0	38	-1.0	-49.59	305.45	2.71	-46.88
O=C(COC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595042	1	38	-1.0	-49.54	305.50	2.74	-46.80
O=C(COC1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595043	0	41	-1.0	-49.12	322.65	3.31	-45.81
O=C(COC1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595043	1	41	-1.0	-49.16	322.71	3.33	-45.83
CC1=NC=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595044	0	32	-1.0	-42.44	270.63	0.87	-41.57
CC1=NC=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595044	1	32	-1.0	-42.42	270.69	0.89	-41.53
CCC1=NC=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595045	0	35	-1.0	-42.34	290.91	1.53	-40.81
CCC1=NC=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595045	1	35	-1.0	-42.35	290.97	1.55	-40.80
C=CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595046	0	32	-1.0	-48.29	283.52	2.20	-46.09
C=CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595046	1	32	-1.0	-48.29	283.57	2.22	-46.07
CCOC1CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595047	0	35	-1.0	-44.39	291.48	0.93	-43.46
CCOC1CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595047	1	35	-1.0	-44.39	291.54	0.95	-43.44
CC1=NC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595048	0	32	-1.0	-41.21	272.45	1.07	-40.14
CC1=NC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595048	1	32	-1.0	-41.21	272.50	1.10	-40.11
CCSCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595049	0	34	-1.0	-44.50	292.41	2.42	-42.08
CCSCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595049	1	34	-1.0	-44.46	292.47	2.45	-42.01
COC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595050	0	32	-1.0	-45.22	275.67	-2.67	-47.89
COC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595050	1	32	-1.0	-45.26	275.73	-2.64	-47.90
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595051	0	31	-1.0	-41.96	275.81	2.22	-39.74
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595051	1	31	-1.0	-41.92	275.87	2.24	-39.68
O=C(C1=NSN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595052	0	26	-1.0	-38.83	239.34	-1.15	-39.98
O=C(C1=NSN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595052	1	26	-1.0	-38.81	239.29	-1.18	-39.99
O=C(C1=CN=NS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595053	0	26	-1.0	-42.07	239.90	-1.17	-43.24
O=C(C1=CN=NS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595053	1	26	-1.0	-42.04	239.85	-1.19	-43.23
CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595054	0	36	-1.0	-50.17	302.63	2.09	-48.08
CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595054	1	36	-1.0	-50.17	302.69	2.12	-48.05
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)N1	REAL250004595055	0	34	-1.0	-59.87	291.82	-0.09	-59.96
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)N1	REAL250004595055	1	34	-1.0	-59.87	291.88	-0.06	-59.93
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004595056	0	45	-1.0	-45.88	333.40	3.89	-41.99
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004595056	1	45	-1.0	-45.89	333.46	3.92	-41.97
CCCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595057	0	34	-1.0	-47.98	292.21	2.44	-45.54
CCCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595057	1	34	-1.0	-47.95	292.26	2.46	-45.49
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595058	0	35	-1.0	-45.18	282.91	3.03	-42.15
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595058	1	35	-1.0	-45.17	282.97	3.05	-42.12
O=C(C1=NOC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595059	0	27	-1.0	-43.95	237.16	0.11	-43.84
O=C(C1=NOC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595059	1	27	-1.0	-43.99	237.11	0.09	-43.90
O=C(C1=CN=C2NC=CC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595060	0	34	-1.0	-58.16	292.91	1.82	-56.34
O=C(C1=CN=C2NC=CC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595060	1	34	-1.0	-58.18	292.97	1.85	-56.33
O=C(C1=CN=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595061	0	27	-1.0	-38.22	246.47	-0.55	-38.77
O=C(C1=CN=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595061	1	27	-1.0	-38.23	246.41	-0.58	-38.81
O=C(C=C(C1CC1)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595062	0	39	-1.0	-45.62	310.24	4.30	-41.32
O=C(C=C(C1CC1)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595062	1	39	-1.0	-45.62	310.30	4.33	-41.29
CC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595063	0	31	-1.0	-43.21	261.99	-0.30	-43.51
CC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595063	1	31	-1.0	-43.21	262.04	-0.27	-43.48
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1	REAL250004595063	1	31	-1.0	-43.19	263.13	-0.13	-43.32
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1	REAL250004595063	1	31	-1.0	-43.20	263.19	-0.11	-43.31
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004595064	0	38	-1.0	-38.70	314.95	4.55	-34.15
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004595064	1	38	-1.0	-38.73	315.01	4.57	-34.16
CC1=CN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595065	0	34	-1.0	-54.62	288.34	1.35	-53.27
CC1=CN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595065	1	34	-1.0	-54.63	288.29	1.33	-53.30
O=C(C=C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595066	0	35	-1.0	-38.34	280.52	2.86	-35.48
O=C(C=C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595066	1	35	-1.0	-38.31	280.58	2.89	-35.42
CC1=NN(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595067	0	34	-1.0	-44.07	281.64	0.59	-43.48
CC1=NN(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595067	1	34	-1.0	-44.08	281.70	0.62	-43.46
CN1C=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595068	0	37	-1.0	-49.05	310.49	1.90	-47.15
CN1C=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595068	1	37	-1.0	-49.06	310.43	1.87	-47.19
CCC=C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595069	0	34	-1.0	-45.24	279.51	2.15	-43.09
CCC=C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595069	1	34	-1.0	-45.29	279.57	2.17	-43.12
CCCCSC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595070	0	40	-1.0	-47.69	329.39	3.64	-44.05
CCCCSC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595070	1	40	-1.0	-47.68	329.44	3.66	-44.02
CC1=CN(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595071	0	37	-1.0	-45.48	310.51	1.97	-43.51
CC1=CN(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595071	1	37	-1.0	-45.49	310.46	1.94	-43.55
CCOCCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595072	0	41	-1.0	-51.29	332.28	1.30	-49.99
CCOCCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595072	1	41	-1.0	-51.28	332.34	1.32	-49.96
CC(C)COC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595073	0	40	-1.0	-48.83	318.40	2.58	-46.25
CC(C)COC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595073	1	40	-1.0	-48.83	318.45	2.60	-46.23
O=C(CCC1=NC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595074	0	33	-1.0	-46.60	292.41	1.20	-45.40
O=C(CCC1=NC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595074	1	33	-1.0	-46.62	292.46	1.23	-45.39
CC(C)CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595075	0	40	-1.0	-47.83	331.27	3.73	-44.10
CC(C)CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595075	1	40	-1.0	-47.83	331.33	3.76	-44.07
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004595076	0	38	-1.0	-42.34	296.26	2.09	-40.25
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004595076	1	38	-1.0	-42.35	296.31	2.11	-40.24
CCCC(C)=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595077	0	37	-1.0	-45.24	297.60	3.09	-42.15
CCCC(C)=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595077	1	37	-1.0	-45.25	297.66	3.12	-42.13
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595078	0	30	-1.0	-38.38	268.31	0.14	-38.24
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595078	1	30	-1.0	-38.43	268.37	0.17	-38.26
CCOC(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595079	0	37	-1.0	-48.54	294.06	1.78	-46.76
CCOC(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595079	1	37	-1.0	-48.50	294.12	1.80	-46.70
O=C(C1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595080	0	32	-1.0	-44.94	257.08	-0.53	-45.47
O=C(C1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595080	1	32	-1.0	-44.95	257.14	-0.52	-45.47
CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595081	0	34	-1.0	-47.58	298.33	3.19	-44.39
CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595081	1	34	-1.0	-47.58	298.39	3.21	-44.37
O=C(C=C1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595082	0	38	-1.0	-45.62	295.68	3.35	-42.27
O=C(C=C1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595082	1	38	-1.0	-45.62	295.73	3.37	-42.25
CS(=O)(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595083	0	30	-1.0	-64.21	267.71	-2.68	-66.89
CS(=O)(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595083	1	30	-1.0	-64.22	267.77	-2.65	-66.87
CCS(=O)(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595084	0	33	-1.0	-63.77	289.17	-1.79	-65.56
CCS(=O)(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595084	1	33	-1.0	-63.78	289.22	-1.77	-65.55
O=C(CCN1CCOC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595085	0	36	-1.0	-54.11	302.48	0.39	-53.72
O=C(CCN1CCOC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595085	1	36	-1.0	-54.08	302.54	0.41	-53.67
O=C(C1=CC=CC2=C1CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595086	0	38	-1.0	-46.72	306.78	4.14	-42.58
O=C(C1=CC=CC2=C1CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595086	1	38	-1.0	-46.73	306.84	4.17	-42.56
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=C1	REAL250004595087	0	34	-1.0	-45.11	290.66	2.67	-42.44
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=C1	REAL250004595087	1	34	-1.0	-45.07	290.72	2.69	-42.38
CC(OCC1CC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595088	0	38	-1.0	-49.20	308.48	2.66	-46.54
CC(OCC1CC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595088	1	38	-1.0	-49.19	308.53	2.68	-46.51
CC(C)OCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595089	0	34	-1.0	-49.35	281.03	1.37	-47.98
CC(C)OCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595089	1	34	-1.0	-49.37	281.09	1.39	-47.98
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595090	0	37	-1.0	-45.58	294.10	3.11	-42.47
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595090	1	37	-1.0	-45.56	294.16	3.14	-42.42
CC1CCCCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595091	0	43	-1.0	-46.22	316.44	3.83	-42.39
CC1CCCCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595091	1	43	-1.0	-46.22	316.50	3.85	-42.37
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CO1	REAL250004595092	0	30	-1.0	-42.95	255.22	-1.03	-43.98
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CO1	REAL250004595092	1	30	-1.0	-42.94	255.17	-1.04	-43.98
O=C(CC(C1CC1)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595093	0	41	-1.0	-45.41	324.61	4.55	-40.86
O=C(CC(C1CC1)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595093	1	41	-1.0	-45.43	324.66	4.58	-40.85
CCC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595094	0	33	-1.0	-38.22	289.80	0.90	-37.32
CCC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595094	1	33	-1.0	-38.23	289.85	0.92	-37.31
O=C(CCCN1C=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595095	0	37	-1.0	-54.71	309.56	3.67	-51.04
O=C(CCCN1C=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595095	1	37	-1.0	-54.70	309.62	3.69	-51.01
C=CCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595096	0	35	-1.0	-49.22	295.07	2.00	-47.22
C=CCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595096	1	35	-1.0	-49.19	295.12	2.02	-47.17
O=C(CCC1=CSC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595097	0	33	-1.0	-46.29	291.94	1.11	-45.18
O=C(CCC1=CSC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595097	1	33	-1.0	-46.26	291.99	1.14	-45.12
O=C(C1=CC=NC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595099	0	30	-1.0	-45.72	262.06	0.44	-45.28
O=C(C1=CC=NC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595099	1	30	-1.0	-45.73	262.01	0.41	-45.32
CN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595100	0	31	-1.0	-44.30	259.74	0.04	-44.26
CN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595100	1	31	-1.0	-44.28	259.69	0.02	-44.26
O=C(CCCN1C=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595101	0	37	-1.0	-55.30	310.14	2.07	-53.23
O=C(CCCN1C=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595101	1	37	-1.0	-55.32	310.08	2.05	-53.27
COCCOCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595102	0	38	-1.0	-46.49	315.33	-0.41	-46.90
COCCOCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595102	1	38	-1.0	-46.50	315.38	-0.39	-46.89
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004595103	0	34	-1.0	-39.22	282.90	2.13	-37.09
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004595103	1	34	-1.0	-39.25	282.96	2.16	-37.09
O=C(CC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595105	0	27	-1.0	-48.60	243.59	0.73	-47.87
O=C(CC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595105	1	27	-1.0	-48.62	243.65	0.75	-47.87
O=C(C1CNC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595106	0	32	-1.0	-48.02	263.32	-2.31	-50.33
O=C(C1CNC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595106	1	32	-1.0	-48.02	263.38	-2.28	-50.30
CCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595107	0	34	-1.0	-49.24	282.25	1.43	-47.81
CCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595107	1	34	-1.0	-49.25	282.31	1.46	-47.79
CCCCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595108	0	40	-1.0	-48.81	319.80	2.67	-46.14
CCCCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595108	1	40	-1.0	-48.82	319.85	2.69	-46.13
CC(C)CCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595109	0	40	-1.0	-49.13	321.32	2.73	-46.40
CC(C)CCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595109	1	40	-1.0	-49.10	321.38	2.75	-46.35
CC(C)CCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595110	0	43	-1.0	-48.65	337.36	3.18	-45.47
CC(C)CCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595110	1	43	-1.0	-48.67	337.42	3.20	-45.47
COCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595111	0	37	-1.0	-46.88	302.84	0.90	-45.98
COCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595111	1	37	-1.0	-46.86	302.90	0.93	-45.93
NC(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595112	0	34	-1.0	-58.67	285.35	-2.09	-60.76
NC(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595112	1	34	-1.0	-58.71	285.41	-2.07	-60.78
C=CCCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595113	0	38	-1.0	-48.86	311.11	2.45	-46.41
C=CCCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595113	1	38	-1.0	-48.85	311.17	2.47	-46.38
O=C(C=CC1=CSC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595115	0	31	-1.0	-43.03	281.37	0.95	-42.08
O=C(C=CC1=CSC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595115	1	31	-1.0	-43.01	281.43	0.97	-42.04
CN1C=C(C(=O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595116	0	33	-1.0	-45.42	284.29	0.04	-45.38
CN1C=C(C(=O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595116	1	33	-1.0	-45.45	284.34	0.06	-45.39
CCC(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595117	0	34	-1.0	-48.41	270.01	0.75	-47.66
CCC(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595117	1	34	-1.0	-48.44	270.07	0.78	-47.66
O=C(CCN1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595118	0	40	-1.0	-46.81	314.55	-1.24	-48.05
O=C(CCN1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595118	1	40	-1.0	-46.80	314.60	-1.22	-48.02
O=C(CCC1=CC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595119	0	36	-1.0	-46.75	301.77	2.31	-44.44
O=C(CCC1=CC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595119	1	36	-1.0	-46.70	301.83	2.34	-44.36
O=C(CCN1C=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595120	0	34	-1.0	-46.86	288.06	2.84	-44.02
O=C(CCN1C=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595120	1	34	-1.0	-46.91	288.12	2.87	-44.04
CCCC1=NNC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595121	0	37	-1.0	-47.89	303.97	0.79	-47.10
CCCC1=NNC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595121	1	37	-1.0	-47.89	304.02	0.82	-47.07
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC1	REAL250004595122	0	31	-1.0	-38.50	269.28	1.54	-36.96
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC1	REAL250004595122	1	31	-1.0	-38.48	269.34	1.57	-36.91
CN1C=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595123	0	34	-1.0	-51.84	289.09	1.10	-50.74
CN1C=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595123	1	34	-1.0	-51.84	289.04	1.07	-50.77
CCN1N=C(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595124	0	37	-1.0	-43.96	302.50	1.45	-42.51
CCN1N=C(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595124	1	37	-1.0	-43.93	302.55	1.48	-42.45
O=C(COC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595125	0	34	-1.0	-50.41	290.04	1.43	-48.98
O=C(COC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595125	1	34	-1.0	-50.39	289.98	1.41	-48.98
CCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595126	0	36	-1.0	-46.38	270.69	1.48	-44.90
CCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595126	1	36	-1.0	-46.38	270.75	1.50	-44.88
O=C(C1CCCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595127	0	40	-1.0	-36.98	299.41	3.12	-33.86
O=C(C1CCCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595127	1	40	-1.0	-36.99	299.46	3.15	-33.84
COC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595128	0	34	-1.0	-48.00	278.98	0.87	-47.13
COC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595128	1	34	-1.0	-48.03	279.04	0.89	-47.14
O=C(C1=CC=CC(F)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595129	0	31	-1.0	-40.44	274.17	2.38	-38.06
O=C(C1=CC=CC(F)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595129	1	31	-1.0	-40.45	274.22	2.41	-38.04
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004595130	0	38	-1.0	-36.72	282.80	0.33	-36.39
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004595130	1	38	-1.0	-36.69	282.86	0.34	-36.35
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595131	0	37	-1.0	-46.89	278.14	2.18	-44.71
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595131	1	37	-1.0	-46.88	278.20	2.19	-44.69
CC1CCCC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595132	0	43	-1.0	-46.28	326.88	4.18	-42.10
CC1CCCC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595132	1	43	-1.0	-46.29	326.94	4.20	-42.09
N#CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004595133	0	35	-1.0	-49.73	307.05	3.67	-46.06
N#CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004595133	1	35	-1.0	-49.77	307.10	3.70	-46.07
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL250004595134	0	40	-1.0	-46.34	300.94	-1.74	-48.08
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL250004595134	1	40	-1.0	-46.33	300.99	-1.72	-48.05
CC(=O)NC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595135	0	37	-1.0	-45.15	291.25	-0.26	-45.41
CC(=O)NC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595135	1	37	-1.0	-45.16	291.31	-0.23	-45.39
CCCC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595136	0	39	-1.0	-46.02	304.13	3.09	-42.93
CCCC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595136	1	39	-1.0	-46.01	304.19	3.11	-42.90
CC1=CC=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595137	0	37	-1.0	-47.75	307.63	3.95	-43.80
CC1=CC=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595137	1	37	-1.0	-47.77	307.69	3.97	-43.80
CCOCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595138	0	34	-1.0	-44.83	281.74	0.34	-44.49
CCOCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595138	1	34	-1.0	-44.83	281.79	0.36	-44.47
CCSC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004595139	0	40	-1.0	-45.30	323.92	3.26	-42.04
CCSC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004595139	1	40	-1.0	-45.30	323.97	3.29	-42.01
CC(C)CC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595140	0	42	-1.0	-45.92	321.29	3.59	-42.33
CC(C)CC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595140	1	42	-1.0	-45.93	321.34	3.62	-42.31
CNC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595141	0	35	-1.0	-43.01	294.79	-1.11	-44.12
CNC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595141	1	35	-1.0	-43.02	294.85	-1.08	-44.10
CC1=CC=C(F)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595142	0	34	-1.0	-40.50	289.27	2.99	-37.51
CC1=CC=C(F)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595142	1	34	-1.0	-40.51	289.33	3.01	-37.50
O=C(CCN1CCCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595143	0	38	-1.0	-52.17	312.24	1.34	-50.83
O=C(CCN1CCCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595143	1	38	-1.0	-52.16	312.30	1.37	-50.79
O=C(C1CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595144	0	35	-1.0	-44.39	277.93	0.35	-44.04
O=C(C1CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595144	1	35	-1.0	-44.38	277.99	0.36	-44.02
NC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595145	0	32	-1.0	-42.85	272.83	-2.59	-45.44
NC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595145	1	32	-1.0	-42.86	272.88	-2.57	-45.43
O=C(C1=CSC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595146	0	27	-1.0	-47.11	245.98	0.16	-46.95
O=C(C1=CSC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595146	1	27	-1.0	-47.11	245.92	0.14	-46.97
CCNC(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595147	0	40	-1.0	-58.57	328.78	0.24	-58.33
CCNC(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595147	1	40	-1.0	-58.58	328.84	0.26	-58.32
CCNC(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595148	0	37	-1.0	-46.01	307.31	-0.54	-46.55
CCNC(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595148	1	37	-1.0	-45.96	307.37	-0.52	-46.48
CCCNC(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595149	0	40	-1.0	-45.79	328.81	0.22	-45.57
CCCNC(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595149	1	40	-1.0	-45.81	328.87	0.25	-45.56
NC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595150	0	35	-1.0	-41.09	282.25	-2.28	-43.37
NC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595150	1	35	-1.0	-41.13	282.30	-2.26	-43.39
O=C(C1=COCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595151	0	30	-1.0	-38.72	246.86	-0.19	-38.91
O=C(C1=COCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595151	1	30	-1.0	-38.71	246.92	-0.16	-38.87
CCC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595152	0	34	-1.0	-44.89	285.14	-1.26	-46.15
CCC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595152	1	34	-1.0	-44.87	285.20	-1.24	-46.11
CNC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595153	0	38	-1.0	-41.04	303.75	-0.79	-41.83
CNC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595153	1	38	-1.0	-41.02	303.81	-0.76	-41.78
COC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=C1	REAL250004595154	0	32	-1.0	-42.63	281.80	0.62	-42.01
COC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=C1	REAL250004595154	1	32	-1.0	-42.62	281.86	0.65	-41.97
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004595155	0	36	-1.0	-42.39	287.68	-0.26	-42.65
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004595155	1	36	-1.0	-42.38	287.74	-0.23	-42.61
O=C(C1=CN2C=CN=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595156	0	34	-1.0	-45.33	292.64	2.97	-42.36
O=C(C1=CN2C=CN=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595156	1	34	-1.0	-45.32	292.70	3.00	-42.32
O=C(CNCC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595157	0	32	-1.0	-49.65	283.25	-1.14	-50.79
O=C(CNCC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595157	1	32	-1.0	-49.67	283.31	-1.11	-50.78
CN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595158	0	31	-1.0	-49.02	264.39	0.69	-48.33
CN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595158	1	31	-1.0	-48.98	264.33	0.67	-48.31
COCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595159	0	35	-1.0	-52.38	294.38	-0.12	-52.50
COCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595159	1	35	-1.0	-52.37	294.44	-0.10	-52.47
CCCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595160	0	36	-1.0	-36.87	282.84	2.10	-34.77
CCCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595160	1	36	-1.0	-36.87	282.90	2.12	-34.75
CC(C)C1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004595161	0	37	-1.0	-47.56	303.89	1.73	-45.83
CC(C)C1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004595161	1	37	-1.0	-47.56	303.95	1.76	-45.80
O=C(C1=CN2C=CC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595162	0	35	-1.0	-43.48	293.94	3.95	-39.53
O=C(C1=CN2C=CC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595162	1	35	-1.0	-43.46	294.00	3.97	-39.49
CN(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(=O)C1CC1	REAL250004595163	0	38	-1.0	-53.74	314.55	1.81	-51.93
CN(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(=O)C1CC1	REAL250004595163	1	38	-1.0	-53.72	314.60	1.84	-51.88
COCC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595164	0	38	-1.0	-59.88	320.03	-1.21	-61.09
COCC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595164	1	38	-1.0	-59.93	320.09	-1.19	-61.12
NC(=O)CSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595165	0	32	-1.0	-58.78	286.72	-2.28	-61.06
NC(=O)CSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595165	1	32	-1.0	-58.78	286.77	-2.26	-61.04
CC1=NON=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595166	0	29	-1.0	-39.00	251.75	0.11	-38.89
CC1=NON=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595166	1	29	-1.0	-38.97	251.80	0.14	-38.83
O=C(C1=C2C=CC=CN2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595168	0	34	-1.0	-50.51	289.46	2.05	-48.46
O=C(C1=C2C=CC=CN2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595168	1	34	-1.0	-50.48	289.40	2.02	-48.46
O=C(C1=COC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595170	0	27	-1.0	-43.18	237.33	-1.85	-45.03
O=C(C1=COC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595170	1	27	-1.0	-43.21	237.27	-1.87	-45.08
C#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595171	0	32	-1.0	-42.87	283.01	2.51	-40.36
C#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595171	1	32	-1.0	-42.84	283.07	2.54	-40.30
O=C(CC1CCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595172	0	35	-1.0	-54.25	287.60	-1.01	-55.26
O=C(CC1CCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595172	1	35	-1.0	-54.22	287.66	-0.98	-55.20
O=C(C1CCC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595173	0	38	-1.0	-48.74	307.29	4.19	-44.55
O=C(C1CCC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595173	1	38	-1.0	-48.74	307.35	4.22	-44.52
O=C([C@H]1CCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595174	0	32	-1.0	-53.03	267.49	-1.90	-54.93
O=C([C@H]1CCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595174	1	32	-1.0	-52.99	267.55	-1.87	-54.86
COC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595176	0	35	-1.0	-53.67	297.84	-1.99	-55.66
COC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595176	1	35	-1.0	-53.67	297.90	-1.96	-55.63
O=C(C1=CC=C(F)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595177	0	30	-1.0	-40.08	262.98	0.35	-39.73
O=C(C1=CC=C(F)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595177	1	30	-1.0	-40.02	262.92	0.32	-39.70
COC(=O)NC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595178	0	38	-1.0	-42.64	301.40	-0.71	-43.35
COC(=O)NC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595178	1	38	-1.0	-42.64	301.45	-0.69	-43.33
O=C(C1=CC=C2NC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595179	0	35	-1.0	-49.55	293.15	2.30	-47.25
O=C(C1=CC=C2NC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595179	1	35	-1.0	-49.52	293.21	2.32	-47.20
COC(=O)NCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595180	0	38	-1.0	-49.99	319.30	-1.20	-51.19
COC(=O)NCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595180	1	38	-1.0	-49.99	319.36	-1.17	-51.16
CN1C=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004595182	0	34	-1.0	-53.88	284.34	1.13	-52.75
CN1C=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004595182	1	34	-1.0	-53.89	284.40	1.15	-52.74
C#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595183	0	32	-1.0	-47.48	282.95	1.54	-45.94
C#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595183	1	32	-1.0	-47.50	283.01	1.56	-45.94
O=C(CC1=CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595184	0	38	-1.0	-46.50	302.07	3.50	-43.00
O=C(CC1=CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595184	1	38	-1.0	-46.52	302.13	3.53	-42.99
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004595185	0	31	-1.0	-48.63	263.42	0.52	-48.11
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004595185	1	31	-1.0	-48.66	263.48	0.54	-48.12
CCC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004595186	0	42	-1.0	-45.82	310.06	3.18	-42.64
CCC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004595186	1	42	-1.0	-45.82	310.12	3.21	-42.61
COCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595187	0	34	-1.0	-37.42	278.16	-0.11	-37.53
COCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595187	1	34	-1.0	-37.44	278.22	-0.09	-37.53
CC(C)(C)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595188	0	42	-1.0	-46.32	324.40	3.52	-42.80
CC(C)(C)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595188	1	42	-1.0	-46.33	324.46	3.55	-42.78
C=CCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595189	0	32	-1.0	-49.79	273.66	1.21	-48.58
C=CCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595189	1	32	-1.0	-49.79	273.72	1.23	-48.56
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1F	REAL250004595190	0	34	-1.0	-43.89	288.51	2.98	-40.91
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1F	REAL250004595190	1	34	-1.0	-43.93	288.57	3.00	-40.93
O=C(COCC1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595191	0	39	-1.0	-53.51	317.72	1.04	-52.47
O=C(COCC1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595191	1	39	-1.0	-53.54	317.77	1.07	-52.47
O=C(C1=COC2=CC=CC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595192	0	34	-1.0	-41.57	290.09	2.76	-38.81
O=C(C1=COC2=CC=CC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595192	1	34	-1.0	-41.58	290.15	2.77	-38.81
O=C(C=CC1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595193	0	39	-1.0	-38.35	313.10	1.75	-36.60
O=C(C=CC1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595193	1	39	-1.0	-38.33	313.16	1.78	-36.55
CC1=NN(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595194	0	34	-1.0	-48.64	283.93	0.60	-48.04
CC1=NN(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595194	1	34	-1.0	-48.62	283.99	0.63	-47.99
CSC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595195	0	32	-1.0	-43.35	286.26	1.80	-41.55
CSC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595195	1	32	-1.0	-43.34	286.32	1.82	-41.52
CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595196	0	34	-1.0	-46.39	285.89	0.90	-45.49
CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595196	1	34	-1.0	-46.39	285.84	0.87	-45.52
COC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595197	0	33	-1.0	-44.24	283.47	-3.10	-47.34
COC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595197	1	33	-1.0	-44.19	283.41	-3.13	-47.32
CCCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595198	0	37	-1.0	-49.25	303.75	2.21	-47.04
CCCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595198	1	37	-1.0	-49.28	303.81	2.24	-47.04
CC(C)(C)C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595199	0	35	-1.0	-40.07	280.68	1.18	-38.89
CC(C)(C)C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595199	1	35	-1.0	-40.05	280.74	1.20	-38.85
CN1CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595200	1	39	-1.0	-45.83	297.97	0.23	-45.60
CN1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595200	1	39	-1.0	-45.81	298.03	0.25	-45.56
O=C(C(O)C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595201	0	35	-1.0	-46.03	288.60	0.96	-45.07
O=C(C(O)C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595201	1	35	-1.0	-46.01	288.65	0.98	-45.03
CCCCCC(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595202	0	43	-1.0	-50.31	342.84	1.75	-48.56
CCCCCC(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595202	1	43	-1.0	-50.33	342.90	1.78	-48.55
O=C(CC1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595203	0	38	-1.0	-46.58	297.06	1.17	-45.41
O=C(CC1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595203	1	38	-1.0	-46.60	297.12	1.20	-45.40
CC1=NC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595204	0	33	-1.0	-45.51	276.46	1.09	-44.42
CC1=NC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595204	1	33	-1.0	-45.50	276.52	1.11	-44.39
CSCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595205	0	34	-1.0	-37.33	288.35	1.95	-35.38
CSCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595205	1	34	-1.0	-37.33	288.41	1.98	-35.35
CC1=CC(=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004595206	0	34	-1.0	-55.29	292.17	0.69	-54.60
CC1=CC(=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004595206	1	34	-1.0	-55.25	292.22	0.72	-54.53
CC1=CC=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595207	0	33	-1.0	-44.68	276.61	1.07	-43.61
CC1=CC=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595207	1	33	-1.0	-44.68	276.66	1.09	-43.59
CCN1CCOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595208	0	40	-1.0	-39.20	309.65	-0.55	-39.75
CCN1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595208	1	40	-1.0	-39.18	309.71	-0.52	-39.70
CC1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595209	0	40	-1.0	-36.87	307.81	3.31	-33.56
CC1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595209	1	40	-1.0	-36.90	307.87	3.34	-33.56
O=C(CCC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595210	0	34	-1.0	-46.38	279.32	2.63	-43.75
O=C(CCC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595210	1	34	-1.0	-46.37	279.38	2.66	-43.71
CC(C)C1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CO1	REAL250004595211	0	36	-1.0	-42.74	296.83	0.37	-42.37
CC(C)C1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CO1	REAL250004595211	1	36	-1.0	-42.75	296.77	0.35	-42.40
CN(C)C(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595212	0	40	-1.0	-59.16	325.74	1.36	-57.80
CN(C)C(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595212	1	40	-1.0	-59.21	325.80	1.39	-57.82
O=C(COC1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595213	0	39	-1.0	-51.08	313.84	0.90	-50.18
O=C(COC1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595213	1	39	-1.0	-51.09	313.90	0.93	-50.16
CCCCC(CC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595214	0	45	-1.0	-46.13	339.73	4.38	-41.75
CCCCC(CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595214	1	45	-1.0	-46.14	339.79	4.40	-41.74
CC(C)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595215	0	36	-1.0	-36.76	278.22	1.90	-34.86
CC(C)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595215	1	36	-1.0	-36.79	278.27	1.92	-34.87
O=C(C1CCSCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595216	0	35	-1.0	-36.61	287.17	2.36	-34.25
O=C(C1CCSCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595216	1	35	-1.0	-36.62	287.23	2.39	-34.23
CC(C)N1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595217	0	37	-1.0	-44.72	304.04	2.01	-42.71
CC(C)N1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595217	1	37	-1.0	-44.71	303.98	1.99	-42.72
CC1CCC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595218	0	43	-1.0	-46.54	326.87	4.16	-42.38
CC1CCC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595218	1	43	-1.0	-46.55	326.92	4.19	-42.36
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004595219	0	39	-1.0	-36.29	288.72	2.28	-34.01
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004595219	1	39	-1.0	-36.30	288.77	2.30	-34.00
CC(CC1CCCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595220	0	43	-1.0	-46.93	328.58	4.05	-42.88
CC(CC1CCCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595220	1	43	-1.0	-46.93	328.64	4.07	-42.86
O=C(CCC1CCCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595221	0	41	-1.0	-46.33	322.19	2.21	-44.12
O=C(CCC1CCCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595221	1	41	-1.0	-46.32	322.25	2.24	-44.08
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595222	0	31	-1.0	-41.92	276.65	1.75	-40.17
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595222	1	31	-1.0	-41.91	276.59	1.73	-40.18
CC(C)C1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595223	0	36	-1.0	-40.78	299.92	1.78	-39.00
CC(C)C1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595223	1	36	-1.0	-40.78	299.98	1.80	-38.98
COC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595224	0	34	-1.0	-49.30	262.56	0.26	-49.04
COC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595224	1	34	-1.0	-49.34	262.62	0.29	-49.05
O=C(CC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595225	0	33	-1.0	-49.91	281.02	1.49	-48.42
O=C(CC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595225	1	33	-1.0	-49.90	281.08	1.52	-48.38
CN1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595226	1	36	-1.0	-44.83	277.79	-0.97	-45.80
CN1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595226	1	36	-1.0	-44.79	277.84	-0.94	-45.73
CC1=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004595227	0	33	-1.0	-54.15	282.39	1.48	-52.67
CC1=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004595227	1	33	-1.0	-54.13	282.45	1.50	-52.63
O=C(CC1(O)CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595228	0	41	-1.0	-49.87	313.03	1.51	-48.36
O=C(CC1(O)CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595228	1	41	-1.0	-49.87	313.09	1.54	-48.33
CC(OC1CCCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595229	0	41	-1.0	-49.31	321.47	3.17	-46.14
CC(OC1CCCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595229	1	41	-1.0	-49.31	321.53	3.19	-46.12
O=C(C1CC2CCC1O2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595230	0	36	-1.0	-50.64	280.43	0.56	-50.08
O=C(C1CC2CCC1O2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595230	1	36	-1.0	-50.65	280.49	0.58	-50.07
NC1=NC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595231	0	31	-1.0	-45.90	269.46	-2.50	-48.40
NC1=NC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595231	1	31	-1.0	-45.93	269.40	-2.51	-48.44
O=C(NC1CC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595232	0	32	-1.0	-40.39	272.51	-1.24	-41.63
O=C(NC1CC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595232	1	32	-1.0	-40.40	272.57	-1.22	-41.62
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=NN1C	REAL250004595233	0	33	-1.0	-45.89	275.51	-0.32	-46.21
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=NN1C	REAL250004595233	1	33	-1.0	-45.90	275.57	-0.30	-46.20
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL250004595234	0	34	-1.0	-47.02	292.71	2.84	-44.18
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL250004595234	1	34	-1.0	-46.98	292.77	2.86	-44.12
CC(C)(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595235	0	39	-1.0	-46.03	302.91	2.76	-43.27
CC(C)(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595235	1	39	-1.0	-46.02	302.97	2.78	-43.24
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595236	0	32	-1.0	-41.27	268.14	1.31	-39.96
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595236	1	32	-1.0	-41.29	268.20	1.34	-39.95
O=C(C1=CC=C(Cl)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595237	0	30	-1.0	-40.31	272.53	1.86	-38.45
O=C(C1=CC=C(Cl)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595237	1	30	-1.0	-40.31	272.47	1.85	-38.46
O=C(CC1(O)CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595238	0	38	-1.0	-45.41	295.82	0.87	-44.54
O=C(CC1(O)CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595238	1	38	-1.0	-45.42	295.88	0.90	-44.52
O=C(C1CC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595239	0	35	-1.0	-45.91	290.58	3.78	-42.13
O=C(C1CC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595239	1	35	-1.0	-45.89	290.64	3.80	-42.09
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CSC=C1	REAL250004595240	0	34	-1.0	-46.31	292.91	2.61	-43.70
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CSC=C1	REAL250004595240	1	34	-1.0	-46.29	292.97	2.64	-43.65
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CO1	REAL250004595241	0	33	-1.0	-42.80	276.71	-0.25	-43.05
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CO1	REAL250004595241	1	33	-1.0	-42.77	276.66	-0.26	-43.03
CCCCSCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595243	0	40	-1.0	-44.22	335.37	3.99	-40.23
CCCCSCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595243	1	40	-1.0	-44.21	335.43	4.01	-40.20
O=C(C=CC1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595244	0	41	-1.0	-37.58	322.20	4.15	-33.43
O=C(C=CC1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595244	1	41	-1.0	-37.57	322.26	4.18	-33.39
CC1CCC(=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595245	0	41	-1.0	-45.56	316.74	4.00	-41.56
CC1CCC(=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595245	1	41	-1.0	-45.56	316.80	4.02	-41.54
CSCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595246	0	37	-1.0	-46.60	313.90	3.07	-43.53
CSCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595246	1	37	-1.0	-46.61	313.96	3.10	-43.51
O=C(CC1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595247	0	35	-1.0	-48.71	280.52	0.33	-48.38
O=C(CC1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595247	1	35	-1.0	-48.69	280.58	0.36	-48.33
O=C(CC1=NNC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595248	0	31	-1.0	-53.59	265.30	-0.27	-53.86
O=C(CC1=NNC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595248	1	31	-1.0	-53.55	265.36	-0.24	-53.79
CCOC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595249	0	37	-1.0	-46.22	309.32	2.40	-43.82
CCOC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595249	1	37	-1.0	-46.17	309.38	2.42	-43.75
O=C(C1=CCCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595250	0	33	-1.0	-44.53	269.68	1.13	-43.40
O=C(C1=CCCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595250	1	33	-1.0	-44.55	269.73	1.15	-43.40
CC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595251	0	40	-1.0	-45.63	307.90	3.31	-42.32
CC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595251	1	40	-1.0	-45.66	307.96	3.33	-42.33
COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595253	0	33	-1.0	-43.30	283.14	-1.81	-45.11
COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595253	1	33	-1.0	-43.30	283.08	-1.84	-45.14
O=C(C1=CC=NC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595254	0	30	-1.0	-47.44	262.35	0.58	-46.86
O=C(C1=CC=NC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595254	1	30	-1.0	-47.45	262.30	0.56	-46.89
O=C(C(O)C1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595256	0	39	-1.0	-44.57	295.61	-1.26	-45.83
O=C(C(O)C1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595256	1	39	-1.0	-44.59	295.67	-1.23	-45.82
O=C(C1CCCCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595258	0	43	-1.0	-37.40	307.16	3.47	-33.93
O=C(C1CCCCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595258	1	43	-1.0	-37.38	307.21	3.49	-33.89
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004595259	0	34	-1.0	-49.85	285.12	2.55	-47.30
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004595259	1	34	-1.0	-49.89	285.18	2.58	-47.31
CC1=CC(F)=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595260	0	34	-1.0	-45.76	288.62	2.97	-42.79
CC1=CC(F)=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595260	1	34	-1.0	-45.73	288.68	2.99	-42.74
O=C(CC1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595261	0	34	-1.0	-46.85	274.01	2.37	-44.48
O=C(CC1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595261	1	34	-1.0	-46.80	274.06	2.39	-44.41
CC1CCC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595262	0	41	-1.0	-46.43	325.35	2.16	-44.27
CC1CCC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595262	1	41	-1.0	-46.44	325.41	2.18	-44.26
CCC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595263	0	39	-1.0	-45.13	293.59	2.66	-42.47
CCC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595263	1	39	-1.0	-45.10	293.65	2.68	-42.42
O=C(C1CCCS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595264	0	32	-1.0	-45.65	269.57	1.90	-43.75
O=C(C1CCCS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595264	1	32	-1.0	-45.68	269.63	1.92	-43.76
COCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004595265	0	34	-1.0	-43.93	292.72	-0.01	-43.94
COCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004595265	1	34	-1.0	-43.95	292.78	0.02	-43.93
O=C(C1=CC=NC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595266	0	30	-1.0	-45.50	271.09	1.01	-44.49
O=C(C1=CC=NC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595266	1	30	-1.0	-45.50	271.03	0.98	-44.52
O=C(CCC1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595267	0	41	-1.0	-47.98	319.51	1.87	-46.11
O=C(CCC1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595267	1	41	-1.0	-48.02	319.56	1.90	-46.12
CC1=CC=C(C(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595268	0	37	-1.0	-48.98	307.53	2.72	-46.26
CC1=CC=C(C(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595268	1	37	-1.0	-49.01	307.59	2.74	-46.27
CN1CCOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595269	0	37	-1.0	-47.23	292.55	-1.18	-48.41
CN1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595269	1	37	-1.0	-47.22	292.61	-1.16	-48.38
CC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595270	0	33	-1.0	-39.25	277.52	-1.38	-40.63
CC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595270	1	33	-1.0	-39.22	277.58	-1.36	-40.58
CN(C)C(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595271	0	34	-1.0	-59.64	280.44	1.26	-58.38
CN(C)C(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595271	1	34	-1.0	-59.65	280.49	1.29	-58.36
O=C(CCCC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595272	0	43	-1.0	-46.58	333.38	4.46	-42.12
O=C(CCCC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595272	1	43	-1.0	-46.56	333.44	4.48	-42.08
CCCCCCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595273	0	45	-1.0	-36.78	347.34	4.44	-32.34
CCCCCCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595273	1	45	-1.0	-36.82	347.39	4.46	-32.36
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL250004595274	0	30	-1.0	-47.07	260.48	1.10	-45.97
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL250004595274	1	30	-1.0	-47.03	260.54	1.13	-45.90
CCCCCC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595275	0	45	-1.0	-46.02	347.13	4.65	-41.37
CCCCCC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595275	1	45	-1.0	-46.01	347.19	4.67	-41.34
O=C(C1=CC=CC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595276	0	31	-1.0	-42.96	271.26	-0.83	-43.79
O=C(C1=CC=CC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595276	1	31	-1.0	-42.97	271.31	-0.80	-43.77
O=C(CCC1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595277	0	37	-1.0	-46.28	295.93	3.15	-43.13
O=C(CCC1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595277	1	37	-1.0	-46.30	295.99	3.17	-43.13
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004595278	0	40	-1.0	-46.36	306.79	3.26	-43.10
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004595278	1	40	-1.0	-46.35	306.85	3.28	-43.07
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(F)=C1	REAL250004595279	0	34	-1.0	-49.80	288.89	3.00	-46.80
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(F)=C1	REAL250004595279	1	34	-1.0	-49.74	288.95	3.02	-46.72
NC(=O)C1=CNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595280	0	33	-1.0	-58.11	282.43	-2.66	-60.77
NC(=O)C1=CNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595280	1	33	-1.0	-58.08	282.49	-2.65	-60.73
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595281	0	34	-1.0	-46.74	274.98	2.04	-44.70
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595281	1	34	-1.0	-46.73	275.03	2.07	-44.66
CC1=CSC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595282	0	31	-1.0	-45.53	271.36	1.94	-43.59
CC1=CSC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595282	1	31	-1.0	-45.56	271.41	1.96	-43.60
O=C(C1=C2NC=CC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595283	0	35	-1.0	-46.54	293.54	2.30	-44.24
O=C(C1=C2NC=CC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595283	1	35	-1.0	-46.58	293.60	2.32	-44.26
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595284	0	29	-1.0	-39.69	273.13	1.81	-37.88
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595284	1	29	-1.0	-39.75	273.19	1.84	-37.91
CC1=CC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595285	0	34	-1.0	-40.60	282.31	2.01	-38.59
CC1=CC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595285	1	34	-1.0	-40.57	282.36	2.03	-38.54
O=C(CCN1C=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595286	0	35	-1.0	-44.65	293.37	3.14	-41.51
O=C(CCN1C=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595286	1	35	-1.0	-44.63	293.43	3.17	-41.46
C=CCOCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595287	0	38	-1.0	-49.50	316.10	1.66	-47.84
C=CCOCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595287	1	38	-1.0	-49.49	316.16	1.69	-47.80
CC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595288	0	33	-1.0	-45.90	277.06	1.12	-44.78
CC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595288	1	33	-1.0	-45.89	277.00	1.10	-44.79
O=C(CCC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595289	0	30	-1.0	-44.34	265.81	1.45	-42.89
O=C(CCC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595289	1	30	-1.0	-44.36	265.87	1.47	-42.89
O=C(C1CC12CCOCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595290	0	39	-1.0	-46.66	307.54	1.64	-45.02
O=C(C1CC12CCOCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595290	1	39	-1.0	-46.66	307.60	1.66	-45.00
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=N1	REAL250004595291	0	30	-1.0	-39.43	255.28	-2.12	-41.55
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=N1	REAL250004595291	1	30	-1.0	-39.38	255.34	-2.10	-41.48
CN1CCCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595292	1	39	-1.0	-45.89	297.98	0.25	-45.64
CN1CCCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595292	1	39	-1.0	-45.83	298.04	0.27	-45.56
O=C(C1C2CCCC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595293	0	35	-1.0	-46.05	281.10	2.93	-43.12
O=C(C1C2CCCC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595293	1	35	-1.0	-45.99	281.16	2.95	-43.04
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595294	0	34	-1.0	-45.73	272.47	2.17	-43.56
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595294	1	34	-1.0	-45.71	272.53	2.20	-43.51
NC(=O)N1CCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595295	0	37	-1.0	-58.10	298.42	-1.81	-59.91
NC(=O)N1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595295	1	37	-1.0	-58.09	298.48	-1.78	-59.87
O=C(CC1CCCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595296	0	43	-1.0	-46.73	318.32	3.91	-42.82
O=C(CC1CCCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595296	1	43	-1.0	-46.74	318.38	3.94	-42.80
N#CC1=CNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595297	0	30	-1.0	-50.33	266.54	1.03	-49.30
N#CC1=CNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595297	1	30	-1.0	-50.35	266.60	1.05	-49.30
O=C(C#CC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595298	0	33	-1.0	-44.78	293.99	3.94	-40.84
O=C(C#CC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595298	1	33	-1.0	-44.80	294.05	3.97	-40.83
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CN(C)N=C1	REAL250004595299	0	37	-1.0	-52.26	307.11	1.50	-50.76
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CN(C)N=C1	REAL250004595299	1	37	-1.0	-52.28	307.05	1.47	-50.81
CCCCCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595300	0	45	-1.0	-46.45	335.19	3.80	-42.65
CCCCCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595300	1	45	-1.0	-46.44	335.24	3.82	-42.62
O=C(CCC1=COC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595301	0	34	-1.0	-46.96	288.33	2.05	-44.91
O=C(CCC1=COC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595301	1	34	-1.0	-46.91	288.38	2.07	-44.84
CC(C)CC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595302	0	42	-1.0	-45.70	303.96	2.79	-42.91
CC(C)CC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595302	1	42	-1.0	-45.66	304.02	2.81	-42.85
O=C(CCC1CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595303	0	41	-1.0	-46.61	319.43	1.89	-44.72
O=C(CCC1CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595303	1	41	-1.0	-46.64	319.49	1.91	-44.73
CC1=CC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595304	0	33	-1.0	-48.10	280.77	1.07	-47.03
CC1=CC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595304	1	33	-1.0	-48.12	280.71	1.05	-47.07
CC(C)=C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595305	0	34	-1.0	-46.39	274.87	1.79	-44.60
CC(C)=C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595305	1	34	-1.0	-46.42	274.93	1.82	-44.60
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595306	0	37	-1.0	-47.03	284.74	2.29	-44.74
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595306	1	37	-1.0	-47.03	284.80	2.31	-44.72
CC1(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1(C)C	REAL250004595307	0	40	-1.0	-45.39	305.65	3.32	-42.07
CC1(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1(C)C	REAL250004595307	1	40	-1.0	-45.37	305.70	3.35	-42.02
O=C(CCC1=NN=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595308	0	33	-1.0	-50.34	281.58	1.48	-48.86
O=C(CCC1=NN=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595308	1	33	-1.0	-50.30	281.64	1.50	-48.80
CNS(=O)(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595309	0	32	-1.0	-58.80	282.60	-4.25	-63.05
CNS(=O)(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595309	1	32	-1.0	-58.75	282.66	-4.22	-62.97
CSC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595310	0	29	-1.0	-39.11	260.66	1.17	-37.94
CSC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595310	1	29	-1.0	-39.09	260.71	1.20	-37.89
O=C(CCC1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595311	0	38	-1.0	-48.39	301.63	1.09	-47.30
O=C(CCC1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595311	1	38	-1.0	-48.38	301.69	1.11	-47.27
N#CC1=CSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595312	0	29	-1.0	-38.03	272.49	1.64	-36.39
N#CC1=CSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595312	1	29	-1.0	-38.04	272.54	1.66	-36.38
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)C(F)F	REAL250004595313	0	27	-1.0	-39.68	247.29	0.62	-39.06
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)C(F)F	REAL250004595313	1	27	-1.0	-39.66	247.35	0.64	-39.02
O=C(CN1C=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595314	0	30	-1.0	-59.41	260.35	-0.61	-60.02
O=C(CN1C=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595314	1	30	-1.0	-59.41	260.29	-0.63	-60.04
O=C(C1=NC=NC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595315	0	29	-1.0	-39.37	263.33	1.70	-37.67
O=C(C1=NC=NC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595315	1	29	-1.0	-39.41	263.28	1.67	-37.74
O=CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595316	0	31	-1.0	-47.85	270.01	0.16	-47.69
O=CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595316	1	31	-1.0	-47.85	270.06	0.19	-47.66
COC1=CSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595317	0	32	-1.0	-38.50	281.98	0.56	-37.94
COC1=CSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595317	1	32	-1.0	-38.50	282.03	0.59	-37.91
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1	REAL250004595318	0	32	-1.0	-48.39	265.98	0.80	-47.59
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1	REAL250004595318	1	32	-1.0	-48.36	266.03	0.83	-47.53
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595319	0	34	-1.0	-46.54	265.61	1.66	-44.88
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595319	1	34	-1.0	-46.56	265.67	1.68	-44.88
C=CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595320	0	34	-1.0	-46.84	281.98	2.39	-44.45
C=CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595320	1	34	-1.0	-46.85	282.04	2.42	-44.43
CC(C)CCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595321	0	45	-1.0	-46.34	351.24	4.69	-41.65
CC(C)CCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595321	1	45	-1.0	-46.35	351.30	4.72	-41.63
CC1=CC=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595322	0	37	-1.0	-46.55	310.29	3.02	-43.53
CC1=CC=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595322	1	37	-1.0	-46.50	310.34	3.05	-43.45
COC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595323	0	34	-1.0	-45.27	285.83	0.28	-44.99
COC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595323	1	34	-1.0	-45.28	285.77	0.25	-45.03
O=C(COC1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595324	0	36	-1.0	-53.05	296.20	0.09	-52.96
O=C(COC1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595324	1	36	-1.0	-53.05	296.26	0.11	-52.94
O=C(C1CC12CCCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595325	0	38	-1.0	-46.28	298.39	3.55	-42.73
O=C(C1CC12CCCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595325	1	38	-1.0	-46.27	298.45	3.57	-42.70
O=CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004595326	0	30	-1.0	-48.60	273.58	1.00	-47.60
O=CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004595326	1	30	-1.0	-48.58	273.63	1.02	-47.56
O=C(C1CC(F)(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595327	0	31	-1.0	-45.08	265.18	1.69	-43.39
O=C(C1CC(F)(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595327	1	31	-1.0	-45.08	265.24	1.71	-43.37
O=C(C1=CC(=O)NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595328	0	31	-1.0	-47.18	270.83	-0.65	-47.83
O=C(C1=CC(=O)NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595328	1	31	-1.0	-47.17	270.89	-0.63	-47.80
CCCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595329	0	37	-1.0	-46.78	298.07	2.83	-43.95
CCCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595329	1	37	-1.0	-46.81	298.13	2.86	-43.95
CCC(CC)(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595330	0	42	-1.0	-47.19	302.20	2.51	-44.68
CCC(CC)(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595330	1	42	-1.0	-47.16	302.25	2.54	-44.62
COCCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595331	0	41	-1.0	-46.49	318.41	1.36	-45.13
COCCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595331	1	41	-1.0	-46.52	318.47	1.38	-45.14
CC1=NNC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595332	0	34	-1.0	-51.14	288.02	0.17	-50.97
CC1=NNC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595332	1	34	-1.0	-51.13	288.08	0.20	-50.93
CN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595333	0	32	-1.0	-49.12	268.00	1.90	-47.22
CN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595333	1	32	-1.0	-49.13	268.06	1.92	-47.21
COCC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595334	0	37	-1.0	-48.47	297.34	0.78	-47.69
COCC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595334	1	37	-1.0	-48.47	297.40	0.80	-47.67
O=C(CC1CCCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595335	0	38	-1.0	-49.18	300.31	2.21	-46.97
O=C(CC1CCCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595335	1	38	-1.0	-49.21	300.37	2.23	-46.98
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004595336	0	35	-1.0	-44.52	275.43	0.60	-43.92
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004595336	1	35	-1.0	-44.52	275.49	0.63	-43.89
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)COC1	REAL250004595337	0	35	-1.0	-48.96	276.24	-0.38	-49.34
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)COC1	REAL250004595337	1	35	-1.0	-48.95	276.30	-0.35	-49.30
CC(C)N1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595339	0	37	-1.0	-44.23	300.78	1.62	-42.61
CC(C)N1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595339	1	37	-1.0	-44.21	300.72	1.59	-42.62
O=C(CC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595340	0	33	-1.0	-49.91	281.02	1.49	-48.42
O=C(CC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595340	1	33	-1.0	-49.90	281.08	1.52	-48.38
O=C(CC1=CC=C(O)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595341	0	35	-1.0	-48.58	297.22	0.42	-48.16
O=C(CC1=CC=C(O)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595341	1	35	-1.0	-48.58	297.28	0.45	-48.13
CC1=CC=CC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595342	0	37	-1.0	-46.01	304.70	3.50	-42.51
CC1=CC=CC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595342	1	37	-1.0	-45.98	304.75	3.53	-42.45
CC1CCN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595343	1	42	-1.0	-47.00	322.81	1.31	-45.69
O=C(C1CCNC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595344	0	35	-1.0	-48.88	284.55	-1.23	-50.11
O=C(C1CCNC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595344	1	35	-1.0	-48.91	284.61	-1.20	-50.11
CC1(C)CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595345	0	43	-1.0	-45.50	321.36	3.60	-41.90
CC1(C)CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595345	1	43	-1.0	-45.54	321.42	3.63	-41.91
COC(=O)C(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595346	0	36	-1.0	-44.14	298.12	1.67	-42.47
COC(=O)C(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595346	1	36	-1.0	-44.15	298.18	1.70	-42.45
O=C(C(F)=C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595347	0	35	-1.0	-39.60	283.90	2.86	-36.74
O=C(C(F)=C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595347	1	35	-1.0	-39.60	283.96	2.88	-36.72
CCC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595348	0	37	-1.0	-45.29	298.57	3.64	-41.65
CCC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595348	1	37	-1.0	-45.31	298.63	3.65	-41.66
CCC1(C)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595349	0	37	-1.0	-46.02	289.89	2.85	-43.17
CCC1(C)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595349	1	37	-1.0	-46.05	289.94	2.87	-43.18
CCCC(C)(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595350	0	37	-1.0	-43.45	289.47	-0.81	-44.26
CCCC(C)(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595350	1	37	-1.0	-43.46	289.52	-0.79	-44.25
O=C(C1=CC=CC2=NC=CN21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595351	0	34	-1.0	-47.04	292.22	2.73	-44.31
O=C(C1=CC=CC2=NC=CN21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595351	1	34	-1.0	-47.02	292.28	2.75	-44.27
O=C(C1CC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595352	0	35	-1.0	-46.41	283.18	2.97	-43.44
O=C(C1CC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595352	1	35	-1.0	-46.41	283.24	2.99	-43.42
CC1=CC=CC(F)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595353	0	34	-1.0	-48.75	291.48	3.00	-45.75
CC1=CC=CC(F)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595353	1	34	-1.0	-48.74	291.53	3.02	-45.72
O=C(C1=CN=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595354	0	30	-1.0	-42.78	262.03	0.55	-42.23
O=C(C1=CN=CC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595354	1	30	-1.0	-42.78	261.97	0.52	-42.26
CCCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595355	0	40	-1.0	-47.06	306.24	3.06	-44.00
CCCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595355	1	40	-1.0	-47.08	306.29	3.09	-43.99
CCC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CC	REAL250004595356	0	37	-1.0	-44.82	293.85	3.07	-41.75
CCC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC	REAL250004595356	1	37	-1.0	-44.88	293.91	3.10	-41.78
CC1=CC(=O)NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595357	0	34	-1.0	-47.27	291.26	-0.05	-47.32
CC1=CC(=O)NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595357	1	34	-1.0	-47.29	291.32	-0.02	-47.31
N#CC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595359	0	31	-1.0	-60.26	282.52	1.52	-58.74
N#CC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595359	1	31	-1.0	-60.27	282.47	1.50	-58.77
CC1CC(C#N)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595360	0	35	-1.0	-40.13	287.91	1.93	-38.20
CC1CC(C#N)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595360	1	35	-1.0	-40.12	287.97	1.96	-38.16
O=C(C1=CNC(C2CC2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595361	0	35	-1.0	-47.63	293.61	2.07	-45.56
O=C(C1=CNC(C2CC2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595361	1	35	-1.0	-47.66	293.67	2.09	-45.57
CC1CCC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595362	0	40	-1.0	-46.55	310.28	3.55	-43.00
CC1CCC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595362	1	40	-1.0	-46.57	310.33	3.58	-42.99
CCC(CC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595363	0	39	-1.0	-46.33	296.66	2.79	-43.54
CCC(CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595363	1	39	-1.0	-46.30	296.71	2.81	-43.49
CC=C(C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CC	REAL250004595364	0	38	-1.0	-46.06	309.06	3.47	-42.59
CC=C(C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC	REAL250004595364	1	38	-1.0	-46.05	309.12	3.50	-42.55
CC1CCC(=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595365	0	38	-1.0	-46.21	301.34	3.49	-42.72
CC1CCC(=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595365	1	38	-1.0	-46.26	301.40	3.52	-42.74
CC(C)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595366	0	37	-1.0	-46.31	288.41	2.42	-43.89
CC(C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595366	1	37	-1.0	-46.34	288.47	2.44	-43.90
O=C(C1CCSC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595367	0	32	-1.0	-44.43	269.53	1.79	-42.64
O=C(C1CCSC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595367	1	32	-1.0	-44.38	269.58	1.81	-42.57
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595368	0	34	-1.0	-45.93	272.27	2.14	-43.79
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595368	1	34	-1.0	-45.95	272.33	2.16	-43.79
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)=C1CCCC1	REAL250004595369	0	38	-1.0	-46.18	305.20	3.35	-42.83
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)=C1CCCC1	REAL250004595369	1	38	-1.0	-46.13	305.26	3.38	-42.75
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCCCC1	REAL250004595370	0	38	-1.0	-43.32	290.73	-0.23	-43.55
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCCCC1	REAL250004595370	1	38	-1.0	-43.28	290.79	-0.22	-43.50
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCCC1	REAL250004595371	0	35	-1.0	-36.48	270.99	-0.84	-37.32
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCCC1	REAL250004595371	1	35	-1.0	-36.51	271.04	-0.83	-37.34
COCC(C)(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595372	0	35	-1.0	-42.49	283.46	-2.88	-45.37
COCC(C)(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595372	1	35	-1.0	-42.48	283.52	-2.86	-45.34
O=C(CC1CCSCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595373	0	38	-1.0	-46.82	305.95	3.23	-43.59
O=C(CC1CCSCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595373	1	38	-1.0	-46.84	306.00	3.26	-43.58
CCOC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004595374	0	43	-1.0	-47.27	333.24	3.10	-44.17
CCOC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004595374	1	43	-1.0	-47.27	333.29	3.12	-44.15
CN1C=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595375	0	31	-1.0	-46.95	263.89	2.40	-44.55
CN1C=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595375	1	31	-1.0	-46.95	263.83	2.38	-44.57
COC(=O)CC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595376	0	36	-1.0	-39.65	294.22	1.33	-38.32
COC(=O)CC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595376	1	36	-1.0	-39.64	294.28	1.35	-38.29
CC1=C(C)OC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595377	0	34	-1.0	-40.44	285.63	2.01	-38.43
CC1=C(C)OC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595377	1	34	-1.0	-40.47	285.69	2.03	-38.44
C=CCC(CC=C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595378	0	38	-1.0	-46.36	306.60	3.08	-43.28
C=CCC(CC=C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595378	1	38	-1.0	-46.31	306.66	3.10	-43.21
CCC[C@@H](NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595379	0	39	-1.0	-56.96	310.21	-1.61	-58.57
CCC[C@@H](NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595379	1	39	-1.0	-56.90	310.27	-1.58	-58.48
CC1=CC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595380	0	35	-1.0	-44.83	294.04	1.36	-43.47
CC1=CC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595380	1	35	-1.0	-44.80	294.10	1.37	-43.43
CCC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595381	0	38	-1.0	-50.34	300.74	2.29	-48.05
CCC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595381	1	38	-1.0	-50.38	300.79	2.31	-48.07
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595382	0	40	-1.0	-47.11	296.98	2.74	-44.37
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595382	1	40	-1.0	-47.14	297.03	2.76	-44.38
CC(C)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595383	0	43	-1.0	-47.36	320.19	3.43	-43.93
CC(C)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595383	1	43	-1.0	-47.35	320.24	3.45	-43.90
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1F	REAL250004595384	0	34	-1.0	-50.36	287.90	2.96	-47.40
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1F	REAL250004595384	1	34	-1.0	-50.33	287.96	2.99	-47.34
O=C(C(C1CC1)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595385	0	38	-1.0	-46.07	307.26	3.75	-42.32
O=C(C(C1CC1)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595385	1	38	-1.0	-46.08	307.32	3.78	-42.30
CSCCC(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595386	0	35	-1.0	-46.17	298.20	-0.03	-46.20
CSCCC(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595386	1	35	-1.0	-46.14	298.25	-0.01	-46.15
O=C([C@@H](O)C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595387	0	35	-1.0	-46.34	287.72	0.98	-45.36
O=C([C@@H](O)C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595387	1	35	-1.0	-46.34	287.78	1.00	-45.34
O=C([C@H](O)C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595388	0	35	-1.0	-46.43	287.84	0.95	-45.48
O=C([C@H](O)C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595388	1	35	-1.0	-46.44	287.90	0.97	-45.47
CC(C)(C)C(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595389	0	37	-1.0	-44.79	278.30	-0.18	-44.97
CC(C)(C)C(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595389	1	37	-1.0	-44.80	278.35	-0.15	-44.95
CC1(C)C[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595391	0	34	-1.0	-45.72	272.80	2.25	-43.47
CC1(C)C[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595391	1	34	-1.0	-45.70	272.85	2.28	-43.42
O=C(C1=NNC=C1[N+](=O)[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004595392	0	30	-1.0	-46.33	265.03	0.89	-45.44
O=C(C1=NNC=C1[N+](=O)[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004595392	1	30	-1.0	-46.33	265.09	0.91	-45.42
CNC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595393	0	33	-1.0	-46.17	279.70	-3.42	-49.59
CNC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595393	1	33	-1.0	-46.15	279.76	-3.39	-49.54
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595394	0	33	-1.0	-42.84	277.22	2.00	-40.84
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595394	1	33	-1.0	-42.88	277.16	1.99	-40.89
CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595395	0	34	-1.0	-50.26	288.85	2.22	-48.04
CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595395	1	34	-1.0	-50.23	288.91	2.25	-47.98
CCCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004595396	0	42	-1.0	-46.14	311.25	3.28	-42.86
CCCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004595396	1	42	-1.0	-46.13	311.31	3.30	-42.83
CC(C)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004595397	0	36	-1.0	-42.56	301.31	2.35	-40.21
CC(C)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004595397	1	36	-1.0	-42.58	301.36	2.38	-40.20
CCC(C)C(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595398	0	37	-1.0	-45.09	287.58	0.09	-45.00
CCC(C)C(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595398	1	37	-1.0	-45.09	287.64	0.11	-44.98
NC(=O)NC(CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595399	0	34	-1.0	-47.96	286.97	-7.49	-55.45
NC(=O)NC(CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595399	1	34	-1.0	-47.96	287.03	-7.46	-55.42
O=C(C1CC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595400	0	30	-1.0	-46.76	255.27	0.63	-46.13
O=C(C1CC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595400	1	30	-1.0	-46.77	255.32	0.65	-46.12
CN1CCOCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595401	0	37	-1.0	-44.98	290.25	-2.16	-47.14
CN1CCOCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595401	1	37	-1.0	-44.98	290.30	-2.13	-47.11
O=C(C1=CN=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595402	0	27	-1.0	-39.33	237.82	-2.60	-41.93
O=C(C1=CN=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595402	1	27	-1.0	-39.32	237.76	-2.62	-41.94
CC(C)N1C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595403	0	38	-1.0	-46.24	304.53	3.12	-43.12
CC(C)N1C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595403	1	38	-1.0	-46.25	304.59	3.15	-43.10
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004595404	0	39	-1.0	-38.54	309.64	2.43	-36.11
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004595404	1	39	-1.0	-38.52	309.69	2.46	-36.06
O=C(C1=CN=C2C=CC=CN12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595405	0	34	-1.0	-48.93	284.49	2.52	-46.41
O=C(C1=CN=C2C=CC=CN12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595405	1	34	-1.0	-48.96	284.43	2.49	-46.47
CCCC(CCC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595406	0	42	-1.0	-46.34	320.10	3.40	-42.94
CCCC(CCC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595406	1	42	-1.0	-46.35	320.15	3.42	-42.93
CC1CC(=O)CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595407	0	39	-1.0	-50.50	308.02	2.27	-48.23
CC1CC(=O)CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595407	1	39	-1.0	-50.50	308.08	2.30	-48.20
CC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004595408	0	43	-1.0	-45.38	313.97	3.81	-41.57
CC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004595408	1	43	-1.0	-45.38	314.02	3.84	-41.54
CC1=NN=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595409	0	32	-1.0	-44.65	270.78	0.08	-44.57
CC1=NN=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595409	1	32	-1.0	-44.70	270.83	0.11	-44.59
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCSCC1	REAL250004595410	0	36	-1.0	-35.53	286.34	-0.31	-35.84
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCSCC1	REAL250004595410	1	36	-1.0	-35.53	286.40	-0.29	-35.82
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004595411	0	36	-1.0	-46.04	288.57	1.34	-44.70
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004595411	1	36	-1.0	-46.03	288.62	1.37	-44.66
CCN1CCOCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595412	0	40	-1.0	-44.91	305.37	-1.67	-46.58
CCN1CCOCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595412	1	40	-1.0	-44.92	305.43	-1.65	-46.57
COCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595413	0	37	-1.0	-44.20	287.94	0.17	-44.03
COCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595413	1	37	-1.0	-44.18	288.00	0.20	-43.98
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL250004595414	0	41	-1.0	-46.54	314.56	1.42	-45.12
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL250004595414	1	41	-1.0	-46.50	314.61	1.45	-45.05
O=C(CN1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595415	1	36	-1.0	-46.36	282.20	-0.52	-46.88
O=C(CN1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595415	1	36	-1.0	-46.31	282.25	-0.50	-46.81
O=C(CN1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595416	0	37	-1.0	-47.29	293.01	-1.76	-49.05
O=C(CN1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595416	1	37	-1.0	-47.28	293.06	-1.73	-49.01
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(O)=C1	REAL250004595417	0	35	-1.0	-47.14	293.35	0.84	-46.30
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(O)=C1	REAL250004595417	1	35	-1.0	-47.09	293.41	0.87	-46.22
O=C(C1=CC=C(O)C=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595418	0	33	-1.0	-47.51	282.59	-2.58	-50.09
O=C(C1=CC=C(O)C=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595418	1	33	-1.0	-47.50	282.65	-2.56	-50.06
O=C(C1=CC(F)=CC=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595419	0	32	-1.0	-41.25	278.62	-0.09	-41.34
O=C(C1=CC(F)=CC=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595419	1	32	-1.0	-41.23	278.68	-0.07	-41.30
CSC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595420	0	34	-1.0	-48.37	286.73	2.09	-46.28
CSC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595420	1	34	-1.0	-48.40	286.79	2.12	-46.28
CN1C(=O)C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595421	0	34	-1.0	-46.39	288.36	0.86	-45.53
CN1C(=O)C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595421	1	34	-1.0	-46.39	288.41	0.88	-45.51
NC(=O)NC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595422	0	34	-1.0	-58.48	288.47	-3.41	-61.89
NC(=O)NC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595422	1	34	-1.0	-58.52	288.53	-3.39	-61.91
CN1C=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004595423	0	34	-1.0	-58.84	294.85	1.67	-57.17
CN1C=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004595423	1	34	-1.0	-58.85	294.91	1.70	-57.15
CCC1=CC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595424	0	36	-1.0	-42.83	297.30	1.96	-40.87
CCC1=CC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595424	1	36	-1.0	-42.85	297.24	1.94	-40.91
COCCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595425	0	38	-1.0	-46.28	308.45	1.11	-45.17
COCCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595425	1	38	-1.0	-46.25	308.51	1.13	-45.12
CCCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595426	0	36	-1.0	-47.46	302.47	0.80	-46.66
CCCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595426	1	36	-1.0	-47.43	302.41	0.77	-46.66
CC1=CC(F)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595427	0	34	-1.0	-43.20	286.87	3.00	-40.20
CC1=CC(F)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595427	1	34	-1.0	-43.18	286.92	3.03	-40.15
CCC(SC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595428	0	34	-1.0	-44.67	280.42	1.79	-42.88
CCC(SC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595428	1	34	-1.0	-44.66	280.48	1.81	-42.85
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=C1	REAL250004595429	0	35	-1.0	-46.16	290.03	2.77	-43.39
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=C1	REAL250004595429	1	35	-1.0	-46.14	290.08	2.78	-43.36
CC(=O)CCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595430	0	41	-1.0	-56.52	315.41	2.16	-54.36
CC(=O)CCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595430	1	41	-1.0	-56.53	315.47	2.18	-54.35
CCN(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595431	1	39	-1.0	-46.00	304.13	0.76	-45.24
CCN(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595431	1	39	-1.0	-46.01	304.19	0.78	-45.23
O=C(C1=NNC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595432	0	27	-1.0	-51.15	236.26	0.28	-50.87
O=C(C1=NNC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595432	1	27	-1.0	-51.17	236.32	0.30	-50.87
O=C(C1=C(C2CC2)ON=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595433	0	34	-1.0	-43.04	289.03	2.12	-40.92
O=C(C1=C(C2CC2)ON=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595433	1	34	-1.0	-43.03	289.09	2.15	-40.88
O=C(C1=CC2=NC=CN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595434	0	34	-1.0	-48.66	292.80	2.97	-45.69
O=C(C1=CC2=NC=CN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595434	1	34	-1.0	-48.65	292.86	3.00	-45.65
CC(=O)C(C)(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595435	0	41	-1.0	-55.73	322.37	2.52	-53.21
CC(=O)C(C)(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595435	1	41	-1.0	-55.74	322.42	2.54	-53.20
C=CC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595436	0	35	-1.0	-56.52	299.16	-0.85	-57.37
C=CC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595436	1	35	-1.0	-56.52	299.22	-0.83	-57.35
CC1(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595437	0	38	-1.0	-49.25	303.40	2.46	-46.79
CC1(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595437	1	38	-1.0	-49.29	303.45	2.49	-46.80
O=C(C1CCCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595438	0	35	-1.0	-48.91	276.44	1.47	-47.44
O=C(C1CCCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595438	1	35	-1.0	-48.90	276.50	1.50	-47.40
NC(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595439	0	32	-1.0	-37.17	281.21	-2.62	-39.79
NC(=O)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595439	1	32	-1.0	-37.12	281.27	-2.59	-39.71
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595440	0	35	-1.0	-38.96	275.44	2.50	-36.46
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595440	1	35	-1.0	-38.90	275.50	2.53	-36.37
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CC(=O)N1	REAL250004595441	0	34	-1.0	-46.66	290.47	-0.19	-46.85
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC(=O)N1	REAL250004595441	1	34	-1.0	-46.67	290.52	-0.17	-46.84
CC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004595442	0	32	-1.0	-45.36	275.02	-2.08	-47.44
CC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004595442	1	32	-1.0	-45.33	275.08	-2.06	-47.39
CCC(C)OCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595443	0	37	-1.0	-49.31	301.80	2.18	-47.13
CCC(C)OCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595443	1	37	-1.0	-49.34	301.85	2.20	-47.14
CC(C)C(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595444	0	37	-1.0	-50.06	295.02	-0.07	-50.13
CC(C)C(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595444	1	37	-1.0	-50.03	295.07	-0.04	-50.07
O=C(CC1COC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595446	0	34	-1.0	-51.39	283.14	1.49	-49.90
O=C(CC1COC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595446	1	34	-1.0	-51.41	283.20	1.52	-49.89
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC=N1	REAL250004595447	0	32	-1.0	-41.08	272.33	1.77	-39.31
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC=N1	REAL250004595447	1	32	-1.0	-41.07	272.39	1.79	-39.28
O=C(CC1=CC=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595449	0	31	-1.0	-49.77	266.97	1.42	-48.35
O=C(CC1=CC=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595449	1	31	-1.0	-49.78	267.03	1.44	-48.34
O=C(C1=CC2=C(C=CO2)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595450	0	32	-1.0	-46.66	272.49	0.79	-45.87
O=C(C1=CC2=C(C=CO2)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595450	1	32	-1.0	-46.66	272.55	0.82	-45.84
CCCC(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595451	0	37	-1.0	-50.31	299.85	0.19	-50.12
CCCC(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595451	1	37	-1.0	-50.30	299.90	0.22	-50.08
O=C(C1=CC2=CN=CN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595452	0	34	-1.0	-48.82	290.31	3.76	-45.06
O=C(C1=CC2=CN=CN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595452	1	34	-1.0	-48.81	290.36	3.79	-45.02
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)S1	REAL250004595453	0	33	-1.0	-43.05	285.70	1.62	-41.43
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)S1	REAL250004595453	1	33	-1.0	-43.05	285.75	1.64	-41.41
CC1(C)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595454	0	34	-1.0	-45.72	272.78	2.24	-43.48
CC1(C)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595454	1	34	-1.0	-45.67	272.84	2.27	-43.40
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=N1	REAL250004595455	0	33	-1.0	-38.65	286.66	0.76	-37.89
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=N1	REAL250004595455	1	33	-1.0	-38.64	286.72	0.79	-37.85
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595456	0	30	-1.0	-43.94	266.71	0.85	-43.09
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595456	1	30	-1.0	-43.91	266.76	0.88	-43.03
O=C(C1=C2NC=NC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595457	0	34	-1.0	-42.40	288.12	1.91	-40.49
O=C(C1=C2NC=NC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595457	1	34	-1.0	-42.39	288.18	1.93	-40.46
CCOC=C(C#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595458	0	33	-1.0	-45.68	292.02	0.67	-45.01
CCOC=C(C#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595458	1	33	-1.0	-45.72	292.08	0.69	-45.03
O=C(CCCN1C=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595459	0	38	-1.0	-51.43	314.88	3.96	-47.47
O=C(CCCN1C=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595459	1	38	-1.0	-51.44	314.94	3.98	-47.46
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(CC1)C2	REAL250004595460	0	38	-1.0	-45.98	286.97	2.82	-43.16
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(CC1)C2	REAL250004595460	1	38	-1.0	-45.98	287.03	2.83	-43.15
O=C(COCC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595461	0	31	-1.0	-53.29	280.33	1.08	-52.21
O=C(COCC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595461	1	31	-1.0	-53.29	280.38	1.11	-52.18
CCC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595463	0	33	-1.0	-42.37	280.73	-0.40	-42.77
CCC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595463	1	33	-1.0	-42.35	280.79	-0.37	-42.72
COC(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595465	0	36	-1.0	-55.19	303.13	1.88	-53.31
COC(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595465	1	36	-1.0	-55.17	303.19	1.90	-53.27
O=C(C1=CC=C(F)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595466	0	30	-1.0	-40.51	262.19	1.44	-39.07
O=C(C1=CC=C(F)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595466	1	30	-1.0	-40.53	262.13	1.42	-39.11
CCC(C)=C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595467	0	37	-1.0	-45.65	295.39	2.50	-43.15
CCC(C)=C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595467	1	37	-1.0	-45.67	295.45	2.53	-43.14
O=C(CCCCO)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595468	0	34	-1.0	-47.33	280.59	-1.51	-48.84
O=C(CCCCO)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595468	1	34	-1.0	-47.32	280.65	-1.48	-48.80
CC1=NSC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595469	0	30	-1.0	-43.58	265.41	0.56	-43.02
CC1=NSC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595469	1	30	-1.0	-43.55	265.47	0.58	-42.97
O=C(C1CCCCS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595470	0	35	-1.0	-38.96	288.15	2.53	-36.43
O=C(C1CCCCS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595470	1	35	-1.0	-38.99	288.21	2.55	-36.44
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)COC1	REAL250004595471	0	32	-1.0	-44.99	257.73	-0.95	-45.94
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)COC1	REAL250004595471	1	32	-1.0	-44.98	257.79	-0.94	-45.92
O=C(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)NC1CC1	REAL250004595472	0	35	-1.0	-58.84	293.87	1.02	-57.82
O=C(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)NC1CC1	REAL250004595472	1	35	-1.0	-58.82	293.92	1.04	-57.78
C#CCNC(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595473	0	33	-1.0	-58.07	289.52	0.66	-57.41
C#CCNC(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595473	1	33	-1.0	-58.09	289.57	0.69	-57.40
CC1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595474	0	37	-1.0	-46.41	283.53	2.77	-43.64
CC1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595474	1	37	-1.0	-46.42	283.59	2.80	-43.62
CC1OCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595475	0	35	-1.0	-47.97	273.39	0.36	-47.61
CC1OCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595475	1	35	-1.0	-47.94	273.44	0.37	-47.57
CCC(C)CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595476	0	45	-1.0	-46.40	347.96	4.57	-41.83
CCC(C)CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595476	1	45	-1.0	-46.38	348.02	4.59	-41.79
COCCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595477	0	38	-1.0	-51.86	315.93	0.50	-51.36
COCCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595477	1	38	-1.0	-51.87	315.98	0.53	-51.34
CCCCCC(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595478	0	45	-1.0	-46.41	342.16	4.21	-42.20
CCCCCC(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595478	1	45	-1.0	-46.42	342.22	4.24	-42.18
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004595479	0	41	-1.0	-46.91	298.26	0.77	-46.14
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004595479	1	41	-1.0	-46.94	298.31	0.80	-46.14
O=C(C1=NN(C(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595480	0	31	-1.0	-47.25	276.83	0.84	-46.41
O=C(C1=NN(C(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595480	1	31	-1.0	-47.24	276.78	0.81	-46.43
O=C(C1CCC=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595481	0	33	-1.0	-47.94	267.43	1.71	-46.23
O=C(C1CCC=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595481	1	33	-1.0	-47.95	267.49	1.74	-46.21
CC(C)(C)OCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595482	0	37	-1.0	-48.94	295.09	1.78	-47.16
CC(C)(C)OCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595482	1	37	-1.0	-48.97	295.14	1.80	-47.17
N#CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004595483	0	30	-1.0	-47.34	266.55	0.45	-46.89
N#CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004595483	1	30	-1.0	-47.36	266.60	0.48	-46.88
COCCCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595484	0	40	-1.0	-38.03	316.51	1.17	-36.86
COCCCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595484	1	40	-1.0	-38.00	316.57	1.19	-36.81
CCC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595485	0	36	-1.0	-42.31	298.70	2.76	-39.55
CCC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595485	1	36	-1.0	-42.33	298.75	2.78	-39.55
O=C(C=C1CCSCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595486	0	36	-1.0	-45.54	296.04	2.93	-42.61
O=C(C=C1CCSCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595486	1	36	-1.0	-45.53	296.09	2.95	-42.58
CCCC(CCC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595487	0	45	-1.0	-46.20	339.71	4.35	-41.85
CCCC(CCC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595487	1	45	-1.0	-46.21	339.77	4.38	-41.83
O=C(CCCC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595488	0	33	-1.0	-50.17	287.30	2.22	-47.95
O=C(CCCC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595488	1	33	-1.0	-50.13	287.36	2.24	-47.89
CCCC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CCC	REAL250004595489	0	43	-1.0	-44.69	336.85	4.61	-40.08
CCCC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CCC	REAL250004595489	1	43	-1.0	-44.64	336.91	4.64	-40.00
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1O	REAL250004595490	0	35	-1.0	-45.83	291.87	0.15	-45.68
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1O	REAL250004595490	1	35	-1.0	-45.82	291.93	0.17	-45.65
O=C(C1=CC=C2C=CNC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595491	0	34	-1.0	-48.28	287.07	2.42	-45.86
O=C(C1=CC=C2C=CNC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595491	1	34	-1.0	-48.25	287.13	2.45	-45.80
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)NC=C1	REAL250004595492	0	34	-1.0	-62.23	288.12	-0.19	-62.42
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)NC=C1	REAL250004595492	1	34	-1.0	-62.21	288.18	-0.16	-62.37
CC1=CC(O)=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595493	0	35	-1.0	-46.98	293.22	0.05	-46.93
CC1=CC(O)=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595493	1	35	-1.0	-46.97	293.28	0.07	-46.90
CSC(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595494	0	37	-1.0	-46.15	308.68	2.84	-43.31
CSC(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595494	1	37	-1.0	-46.15	308.74	2.86	-43.29
C#CCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595495	0	35	-1.0	-47.17	296.45	3.13	-44.04
C#CCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595495	1	35	-1.0	-47.15	296.51	3.16	-43.99
O=C(C1=CC=C2C=CC=NN21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595496	0	34	-1.0	-57.08	287.23	1.98	-55.10
O=C(C1=CC=C2C=CC=NN21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595496	1	34	-1.0	-57.13	287.18	1.95	-55.18
O=C(C1=CC=C(O)C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595497	0	32	-1.0	-49.82	277.96	-0.54	-50.36
O=C(C1=CC=C(O)C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595497	1	32	-1.0	-49.86	278.02	-0.51	-50.37
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595498	0	35	-1.0	-49.74	288.22	0.45	-49.29
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595498	1	35	-1.0	-49.73	288.28	0.47	-49.26
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=N1	REAL250004595499	0	35	-1.0	-42.70	291.22	0.76	-41.94
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=N1	REAL250004595499	1	35	-1.0	-42.68	291.28	0.79	-41.89
CCC1=NN(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595500	0	37	-1.0	-48.63	306.76	1.37	-47.26
CCC1=NN(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595500	1	37	-1.0	-48.62	306.82	1.40	-47.22
O=C(C1=CC2=C(CCC2)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595501	0	36	-1.0	-46.80	290.97	2.43	-44.37
O=C(C1=CC2=C(CCC2)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595501	1	36	-1.0	-46.78	291.03	2.45	-44.33
CC(Cl)(Cl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595502	0	27	-1.0	-39.28	251.93	1.05	-38.23
CC(Cl)(Cl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595502	1	27	-1.0	-39.25	251.99	1.07	-38.18
COCC(=O)N(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595503	0	38	-1.0	-56.99	316.79	0.47	-56.52
COCC(=O)N(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595503	1	38	-1.0	-56.97	316.84	0.50	-56.47
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCSC1	REAL250004595504	0	33	-1.0	-43.86	269.32	-0.73	-44.59
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCSC1	REAL250004595504	1	33	-1.0	-43.80	269.38	-0.71	-44.51
O=C(C1SCCS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595505	0	30	-1.0	-45.94	267.84	1.70	-44.24
O=C(C1SCCS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595505	1	30	-1.0	-45.93	267.89	1.73	-44.20
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)N=N1	REAL250004595506	0	35	-1.0	-44.51	291.12	0.64	-43.87
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)N=N1	REAL250004595506	1	35	-1.0	-44.50	291.18	0.66	-43.84
CCOC(=O)C(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595507	0	39	-1.0	-52.97	309.57	2.84	-50.13
CCOC(=O)C(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595507	1	39	-1.0	-52.95	309.63	2.86	-50.09
CC1=CN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595508	0	33	-1.0	-49.56	292.92	1.19	-48.37
CC1=CN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595508	1	33	-1.0	-49.57	292.98	1.22	-48.35
CC1(C)CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595509	0	43	-1.0	-45.76	321.35	3.58	-42.18
CC1(C)CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595509	1	43	-1.0	-45.76	321.40	3.61	-42.15
O=C(C1=CC=CC(F)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595510	0	30	-1.0	-46.12	262.33	1.34	-44.78
O=C(C1=CC=CC(F)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595510	1	30	-1.0	-46.09	262.27	1.32	-44.77
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL250004595511	0	34	-1.0	-45.67	292.29	-0.08	-45.75
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL250004595511	1	34	-1.0	-45.67	292.34	-0.06	-45.73
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=NC=N1	REAL250004595512	0	33	-1.0	-50.64	278.55	2.16	-48.48
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=NC=N1	REAL250004595512	1	33	-1.0	-50.65	278.49	2.13	-48.52
O=C([C@@H]1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595513	0	32	-1.0	-49.99	258.90	0.66	-49.33
O=C([C@@H]1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595513	1	32	-1.0	-50.00	258.95	0.69	-49.31
O=C([C@H]1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595514	0	32	-1.0	-49.96	258.48	0.72	-49.24
O=C([C@H]1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595514	1	32	-1.0	-49.97	258.54	0.74	-49.23
COC(=O)N[C@@H](C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595515	0	35	-1.0	-44.44	294.12	-1.98	-46.42
COC(=O)N[C@@H](C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595515	1	35	-1.0	-44.43	294.18	-1.95	-46.38
N#CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004595516	0	35	-1.0	-53.34	303.94	3.42	-49.92
N#CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004595516	1	35	-1.0	-53.35	304.00	3.44	-49.91
C#CCOCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595517	0	33	-1.0	-46.05	287.52	0.88	-45.17
C#CCOCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595517	1	33	-1.0	-46.06	287.58	0.91	-45.15
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004595518	0	43	-1.0	-46.15	309.87	3.14	-43.01
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004595518	1	43	-1.0	-46.17	309.93	3.17	-43.00
C=C(C)C(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)OCC	REAL250004595519	0	41	-1.0	-46.96	333.27	2.98	-43.98
C=C(C)C(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)OCC	REAL250004595519	1	41	-1.0	-46.93	333.32	3.01	-43.92
CC(O)(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595520	0	38	-1.0	-49.10	298.25	0.70	-48.40
CC(O)(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595520	1	38	-1.0	-49.12	298.30	0.73	-48.39
CCC(CC)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595521	0	42	-1.0	-46.02	313.59	3.12	-42.90
CCC(CC)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595521	1	42	-1.0	-45.98	313.65	3.13	-42.85
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL250004595522	0	38	-1.0	-47.16	298.98	1.04	-46.12
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL250004595522	1	38	-1.0	-47.17	299.03	1.07	-46.10
CC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595523	0	37	-1.0	-46.28	285.90	2.59	-43.69
CC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595523	1	37	-1.0	-46.29	285.96	2.62	-43.67
O=C(C1=CC=C(O)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595524	0	32	-1.0	-44.60	278.04	-0.52	-45.12
O=C(C1=CC=C(O)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595524	1	32	-1.0	-44.57	278.10	-0.50	-45.07
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004595525	0	43	-1.0	-47.07	307.06	3.17	-43.90
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004595525	1	43	-1.0	-47.04	307.11	3.19	-43.85
O=C(C1=CN=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595526	0	29	-1.0	-43.26	251.33	0.25	-43.01
O=C(C1=CN=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595526	1	29	-1.0	-43.29	251.27	0.23	-43.06
O=C(C1=NC=CC=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595527	0	31	-1.0	-44.39	264.64	-0.14	-44.53
O=C(C1=NC=CC=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595527	1	31	-1.0	-44.38	264.70	-0.11	-44.49
O=C(C1CC12CCOC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595528	0	36	-1.0	-47.14	289.18	0.97	-46.17
O=C(C1CC12CCOC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595528	1	36	-1.0	-47.09	289.24	1.00	-46.09
CN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1N	REAL250004595529	0	33	-1.0	-46.39	277.92	-1.05	-47.44
CN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1N	REAL250004595529	1	33	-1.0	-46.35	277.87	-1.08	-47.43
CCCC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595530	0	36	-1.0	-42.26	302.23	0.37	-41.89
CCCC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595530	1	36	-1.0	-42.28	302.29	0.40	-41.88
O=C(C1=CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595531	0	33	-1.0	-44.95	270.20	0.14	-44.81
O=C(C1=CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595531	1	33	-1.0	-44.94	270.26	0.16	-44.78
O=C(C1=COC(C2CC2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595532	0	34	-1.0	-42.92	290.68	0.40	-42.52
O=C(C1=COC(C2CC2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595532	1	34	-1.0	-42.93	290.74	0.43	-42.50
CCC(C)(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595533	0	39	-1.0	-46.71	286.01	1.91	-44.80
CCC(C)(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595533	1	39	-1.0	-46.74	286.07	1.94	-44.80
O=C(C1=CSC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595534	0	28	-1.0	-42.92	261.86	-1.87	-44.79
O=C(C1=CSC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595534	1	28	-1.0	-42.92	261.92	-1.85	-44.77
CC(C)(O)C(F)(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595535	0	34	-1.0	-41.96	280.20	-0.46	-42.42
CC(C)(O)C(F)(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595535	1	34	-1.0	-41.92	280.26	-0.43	-42.35
CC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(O)=C1	REAL250004595536	0	34	-1.0	-43.98	288.45	0.07	-43.91
CC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(O)=C1	REAL250004595536	1	34	-1.0	-43.97	288.50	0.09	-43.88
COC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595537	0	34	-1.0	-46.52	287.46	1.47	-45.05
COC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595537	1	34	-1.0	-46.47	287.52	1.50	-44.97
CC#CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595538	0	35	-1.0	-50.24	296.78	3.31	-46.93
CC#CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595538	1	35	-1.0	-50.22	296.84	3.33	-46.89
C#CCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595539	0	35	-1.0	-44.88	279.83	2.04	-42.84
C#CCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595539	1	35	-1.0	-44.90	279.89	2.07	-42.83
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOC1	REAL250004595540	0	35	-1.0	-37.42	270.81	-0.31	-37.73
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOC1	REAL250004595540	1	35	-1.0	-37.44	270.87	-0.28	-37.72
CC(CCC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595541	0	45	-1.0	-36.78	338.07	3.79	-32.99
CC(CCC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595541	1	45	-1.0	-36.75	338.13	3.82	-32.93
COCCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595542	0	40	-1.0	-48.77	304.37	0.53	-48.24
COCCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595542	1	40	-1.0	-48.77	304.42	0.55	-48.22
O=C(C1C=CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595543	0	35	-1.0	-45.10	275.00	2.41	-42.69
O=C(C1C=CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595543	1	35	-1.0	-45.12	275.05	2.44	-42.68
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595544	0	35	-1.0	-43.27	279.18	0.52	-42.75
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595544	1	35	-1.0	-43.31	279.24	0.55	-42.76
COC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595545	0	31	-1.0	-40.58	270.42	-2.08	-42.66
COC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595545	1	31	-1.0	-40.58	270.36	-2.11	-42.69
CCOC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595546	0	34	-1.0	-45.15	292.10	-1.50	-46.65
CCOC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595546	1	34	-1.0	-45.18	292.04	-1.53	-46.71
NC(=O)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595547	0	32	-1.0	-47.14	279.86	-2.92	-50.06
NC(=O)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595547	1	32	-1.0	-47.16	279.92	-2.89	-50.05
O=C(CC1=CC=CC(O)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595548	0	35	-1.0	-48.44	297.21	0.41	-48.03
O=C(CC1=CC=CC(O)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595548	1	35	-1.0	-48.42	297.27	0.44	-47.98
CCNC(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595549	0	34	-1.0	-58.88	283.75	0.16	-58.72
CCNC(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595549	1	34	-1.0	-58.85	283.80	0.19	-58.66
CNC(=O)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595550	0	37	-1.0	-59.07	307.29	-0.61	-59.68
CNC(=O)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595550	1	37	-1.0	-59.05	307.35	-0.58	-59.63
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCCC1	REAL250004595551	0	43	-1.0	-45.63	293.94	3.31	-42.32
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCCC1	REAL250004595551	1	43	-1.0	-45.66	293.99	3.34	-42.32
CCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C	REAL250004595552	0	37	-1.0	-48.42	304.99	1.87	-46.55
CCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C	REAL250004595552	1	37	-1.0	-48.40	305.05	1.90	-46.50
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCOC1	REAL250004595553	0	38	-1.0	-50.26	285.49	1.11	-49.15
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCOC1	REAL250004595553	1	38	-1.0	-50.27	285.55	1.13	-49.14
C#CCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595554	0	38	-1.0	-49.03	317.96	3.92	-45.11
C#CCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595554	1	38	-1.0	-49.01	318.01	3.95	-45.06
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCC1	REAL250004595555	0	32	-1.0	-36.62	257.81	-1.45	-38.07
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCC1	REAL250004595555	1	32	-1.0	-36.59	257.86	-1.43	-38.02
CC1CC(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595556	0	43	-1.0	-46.35	318.83	3.66	-42.69
CC1CC(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595556	1	43	-1.0	-46.37	318.89	3.67	-42.70
CC1(C)CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595557	0	40	-1.0	-46.14	309.00	3.26	-42.88
CC1(C)CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595557	1	40	-1.0	-46.16	309.06	3.27	-42.89
CCCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595558	0	37	-1.0	-46.18	306.42	1.61	-44.57
CCCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595558	1	37	-1.0	-46.17	306.36	1.58	-44.59
COC(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595559	0	37	-1.0	-46.75	300.92	0.91	-45.84
COC(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595559	1	37	-1.0	-46.75	300.98	0.94	-45.81
C[C@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004595560	0	37	-1.0	-47.12	300.81	3.69	-43.43
C[C@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004595560	1	37	-1.0	-47.15	300.87	3.72	-43.43
C[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004595561	0	37	-1.0	-46.92	303.02	3.69	-43.23
C[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004595561	1	37	-1.0	-46.95	303.08	3.72	-43.23
CCC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL250004595562	0	41	-1.0	-36.87	311.13	1.64	-35.23
CCC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL250004595562	1	41	-1.0	-36.91	311.19	1.67	-35.24
CCC(C)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595563	0	39	-1.0	-46.15	298.42	2.55	-43.60
CCC(C)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595563	1	39	-1.0	-46.16	298.48	2.58	-43.58
CC(C)OCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595564	0	40	-1.0	-49.19	323.47	1.83	-47.36
CC(C)OCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595564	1	40	-1.0	-49.16	323.53	1.86	-47.30
CN1C(=O)CC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595565	0	35	-1.0	-54.13	289.08	0.55	-53.58
CN1C(=O)CC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595565	1	35	-1.0	-54.13	289.13	0.57	-53.56
O=C(NCC(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595566	0	31	-1.0	-43.48	275.13	-1.80	-45.28
O=C(NCC(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595566	1	31	-1.0	-43.47	275.19	-1.78	-45.25
C=CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595567	0	38	-1.0	-46.71	297.37	2.86	-43.85
C=CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595567	1	38	-1.0	-46.76	297.43	2.89	-43.87
O=C(C1CC2=CC=CC=C2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595568	0	38	-1.0	-46.17	304.97	4.15	-42.02
O=C(C1CC2=CC=CC=C2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595568	1	38	-1.0	-46.15	305.03	4.18	-41.97
COC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595569	0	38	-1.0	-49.66	300.59	1.89	-47.77
COC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595569	1	38	-1.0	-49.63	300.64	1.91	-47.72
CC1OCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595570	0	38	-1.0	-49.90	291.89	2.05	-47.85
CC1OCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595570	1	38	-1.0	-49.88	291.94	2.06	-47.82
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004595571	0	39	-1.0	-45.45	310.87	2.36	-43.09
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004595571	1	39	-1.0	-45.45	310.92	2.39	-43.06
O=C(C1=CNN=C1[N+](=O)[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004595572	0	30	-1.0	-57.04	268.32	1.23	-55.81
O=C(C1=CNN=C1[N+](=O)[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004595572	1	30	-1.0	-57.03	268.38	1.26	-55.77
CC(=O)OC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595573	0	34	-1.0	-52.38	289.60	2.03	-50.35
CC(=O)OC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595573	1	34	-1.0	-52.37	289.65	2.05	-50.32
CN(C)C(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595574	0	38	-1.0	-43.58	308.37	0.75	-42.83
CN(C)C(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595574	1	38	-1.0	-43.61	308.43	0.77	-42.84
CC(=O)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595575	0	39	-1.0	-57.60	305.23	3.46	-54.14
CC(=O)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595575	1	39	-1.0	-57.58	305.28	3.48	-54.10
O=C(CCC1=CC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595576	0	36	-1.0	-46.75	301.77	2.31	-44.44
O=C(CCC1=CC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595576	1	36	-1.0	-46.70	301.83	2.34	-44.36
O=C(C1=CC(Cl)=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595577	0	28	-1.0	-36.47	268.35	1.75	-34.72
O=C(C1=CC(Cl)=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595577	1	28	-1.0	-36.50	268.41	1.78	-34.72
CC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595578	0	34	-1.0	-46.29	277.11	2.34	-43.95
CC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595578	1	34	-1.0	-46.30	277.17	2.36	-43.94
O=C(CCC1=CC=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595579	0	35	-1.0	-46.62	296.76	2.12	-44.50
O=C(CCC1=CC=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595579	1	35	-1.0	-46.60	296.81	2.14	-44.46
CCC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595581	0	36	-1.0	-46.10	282.63	2.33	-43.77
CCC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595581	1	36	-1.0	-46.11	282.69	2.36	-43.75
CC(F)(F)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595582	0	30	-1.0	-52.92	258.11	1.27	-51.65
CC(F)(F)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595582	1	30	-1.0	-52.95	258.17	1.29	-51.66
CCC(C(=O)OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595583	0	36	-1.0	-49.60	299.36	1.46	-48.14
CCC(C(=O)OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595583	1	36	-1.0	-49.58	299.42	1.49	-48.09
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004595584	0	40	-1.0	-47.03	291.20	2.64	-44.39
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004595584	1	40	-1.0	-47.01	291.25	2.66	-44.35
O=C(C1=CN=CC(Cl)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595585	0	29	-1.0	-40.18	267.41	-0.10	-40.28
O=C(C1=CN=CC(Cl)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595585	1	29	-1.0	-40.16	267.35	-0.13	-40.29
O=C(C1=CSC(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595586	0	28	-1.0	-45.24	267.33	1.83	-43.41
O=C(C1=CSC(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595586	1	28	-1.0	-45.28	267.39	1.85	-43.43
COC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595587	0	41	-1.0	-45.29	319.51	1.70	-43.59
COC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595587	1	41	-1.0	-45.28	319.57	1.72	-43.56
O=C(C1=CNC=C(F)C1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595588	0	31	-1.0	-58.58	277.10	0.19	-58.39
O=C(C1=CNC=C(F)C1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595588	1	31	-1.0	-58.53	277.15	0.21	-58.32
O=C(CCN1C=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595589	0	33	-1.0	-47.69	282.46	0.06	-47.63
O=C(CCN1C=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595589	1	33	-1.0	-47.67	282.40	0.03	-47.64
O=C(CC1OCCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595590	0	36	-1.0	-47.69	291.51	0.68	-47.01
O=C(CC1OCCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595590	1	36	-1.0	-47.63	291.56	0.70	-46.93
O=C(CC1OCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595591	0	33	-1.0	-48.17	273.36	-0.27	-48.44
O=C(CC1OCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595591	1	33	-1.0	-48.19	273.42	-0.24	-48.43
CCN1C=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595592	0	37	-1.0	-51.69	310.61	1.96	-49.73
CCN1C=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595592	1	37	-1.0	-51.69	310.55	1.93	-49.76
C=CC(C)(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595593	0	37	-1.0	-37.18	278.82	1.78	-35.40
C=CC(C)(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595593	1	37	-1.0	-37.23	278.88	1.80	-35.43
CC(C)N1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595594	0	37	-1.0	-46.12	303.52	1.35	-44.77
CC(C)N1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595594	1	37	-1.0	-46.14	303.47	1.33	-44.81
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595595	0	31	-1.0	-47.35	264.53	1.20	-46.15
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595595	1	31	-1.0	-47.35	264.59	1.22	-46.13
O=C(C=CC1=CC=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595596	0	33	-1.0	-39.47	280.10	1.67	-37.80
O=C(C=CC1=CC=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595596	1	33	-1.0	-39.51	280.16	1.69	-37.82
O=C(C1=CC=NC(F)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595597	0	30	-1.0	-39.04	269.33	0.52	-38.52
O=C(C1=CC=NC(F)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595597	1	30	-1.0	-39.02	269.28	0.49	-38.53
O=C(CCC1=CNC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595598	0	34	-1.0	-49.25	286.89	1.61	-47.64
O=C(CCC1=CNC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595598	1	34	-1.0	-49.24	286.95	1.64	-47.60
O=C(CCC1=CN=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595598	1	34	-1.0	-48.61	286.99	1.60	-47.01
O=C(C=CC1=CNC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595599	0	32	-1.0	-50.57	276.80	1.51	-49.06
O=C(C=CC1=CNC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595599	1	32	-1.0	-50.58	276.86	1.54	-49.04
CC(=O)CC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595600	0	41	-1.0	-53.50	314.79	2.77	-50.73
CC(=O)CC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595600	1	41	-1.0	-53.49	314.85	2.80	-50.69
CC(=O)N1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595601	0	35	-1.0	-52.40	293.72	0.14	-52.26
CC(=O)N1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595601	1	35	-1.0	-52.40	293.78	0.16	-52.24
O=C(NCC1CC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595602	0	35	-1.0	-40.12	293.55	-0.70	-40.82
O=C(NCC1CC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595602	1	35	-1.0	-40.15	293.60	-0.68	-40.83
C=CC(C)(CCOC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595603	0	41	-1.0	-37.70	312.41	0.98	-36.72
C=CC(C)(CCOC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595603	1	41	-1.0	-37.64	312.47	1.01	-36.63
CC[C@H]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595604	0	43	-1.0	-45.63	326.18	3.97	-41.66
CC[C@H]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595604	1	43	-1.0	-45.63	326.23	3.99	-41.64
O=C(C1=CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595605	0	35	-1.0	-38.22	278.86	2.50	-35.72
O=C(C1=CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595605	1	35	-1.0	-38.21	278.92	2.53	-35.68
CC(C)C1(C)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595606	0	40	-1.0	-45.34	301.94	3.22	-42.12
CC(C)C1(C)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595606	1	40	-1.0	-45.34	302.00	3.25	-42.09
O=C(CC1=COC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595607	0	31	-1.0	-48.78	266.93	1.24	-47.54
O=C(CC1=COC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595607	1	31	-1.0	-48.75	266.99	1.26	-47.49
O=C(CC1=CN=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595608	0	30	-1.0	-49.02	271.01	0.56	-48.46
O=C(CC1=CN=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595608	1	30	-1.0	-49.02	270.95	0.54	-48.48
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C	REAL250004595609	0	35	-1.0	-43.18	287.76	-1.03	-44.21
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C	REAL250004595609	1	35	-1.0	-43.18	287.70	-1.06	-44.24
CNC(=O)CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595610	0	40	-1.0	-50.33	328.78	0.16	-50.17
CNC(=O)CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595610	1	40	-1.0	-50.34	328.84	0.19	-50.15
CC(C)C(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595611	0	39	-1.0	-46.29	285.14	1.82	-44.47
CC(C)C(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595611	1	39	-1.0	-46.32	285.20	1.84	-44.48
O=C(C(O)C1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595612	0	41	-1.0	-37.07	311.49	1.32	-35.75
O=C(C(O)C1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595612	1	41	-1.0	-37.05	311.55	1.34	-35.71
CC1=NNN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595613	0	30	-1.0	-39.45	254.41	-1.52	-40.97
CC1=NNN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595613	1	30	-1.0	-39.47	254.46	-1.50	-40.97
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CO1	REAL250004595614	0	35	-1.0	-46.06	281.21	0.36	-45.70
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CO1	REAL250004595614	1	35	-1.0	-46.05	281.27	0.39	-45.66
CN1C=NC=C1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595615	0	37	-1.0	-48.71	308.13	3.21	-45.50
CN1C=NC=C1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595615	1	37	-1.0	-48.70	308.19	3.23	-45.47
CC(C)C(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595616	0	33	-1.0	-47.48	270.06	1.48	-46.00
CC(C)C(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595616	1	33	-1.0	-47.49	270.11	1.50	-45.99
CC1OC(=O)NC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595617	0	33	-1.0	-53.79	272.17	-2.32	-56.11
CC1OC(=O)NC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595617	1	33	-1.0	-53.80	272.23	-2.30	-56.10
CC(C)(CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595618	0	34	-1.0	-44.58	265.69	-2.22	-46.80
CC(C)(CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595618	1	34	-1.0	-44.59	265.74	-2.20	-46.79
CCN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595619	0	34	-1.0	-44.04	280.29	0.90	-43.14
CCN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595619	1	34	-1.0	-44.03	280.24	0.87	-43.16
O=C(C1=CCCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595620	0	38	-1.0	-46.10	297.20	3.15	-42.95
O=C(C1=CCCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595620	1	38	-1.0	-46.10	297.26	3.18	-42.92
O=C(C1=C(O)C=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595621	1	32	-1.0	-51.51	282.72	-0.34	-51.85
O=C(C1=C(O)C=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595621	1	32	-1.0	-51.48	282.78	-0.31	-51.79
CC1=CN=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595622	0	36	-1.0	-49.82	302.52	2.13	-47.69
CC1=CN=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595622	1	36	-1.0	-49.79	302.58	2.16	-47.63
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N(C)C=C1	REAL250004595623	0	35	-1.0	-45.98	294.05	2.48	-43.50
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N(C)C=C1	REAL250004595623	1	35	-1.0	-45.97	294.11	2.51	-43.46
CC(C)C(C)(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595624	0	37	-1.0	-44.89	279.09	-1.19	-46.08
CC(C)C(C)(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595624	1	37	-1.0	-44.90	279.15	-1.16	-46.06
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004595625	0	37	-1.0	-48.71	288.43	1.33	-47.38
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004595625	1	37	-1.0	-48.66	288.48	1.36	-47.30
CN1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004595626	0	35	-1.0	-46.21	287.42	0.07	-46.14
CN1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004595626	1	35	-1.0	-46.22	287.48	0.09	-46.13
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004595627	0	41	-1.0	-43.24	307.17	1.84	-41.40
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004595627	1	41	-1.0	-43.20	307.23	1.85	-41.35
CC1(C)CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595628	0	40	-1.0	-46.15	301.21	3.10	-43.05
CC1(C)CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595628	1	40	-1.0	-46.16	301.27	3.12	-43.04
CCOC1CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595629	0	41	-1.0	-50.53	329.35	2.31	-48.22
CCOC1CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595629	1	41	-1.0	-50.54	329.40	2.34	-48.20
O=C(C1=CC=CC(O)=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595630	0	33	-1.0	-41.48	282.96	-2.22	-43.70
O=C(C1=CC=CC(O)=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595630	1	33	-1.0	-41.53	283.02	-2.19	-43.72
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCOCC1	REAL250004595631	0	36	-1.0	-44.43	282.14	-2.68	-47.11
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCOCC1	REAL250004595631	1	36	-1.0	-44.40	282.20	-2.65	-47.05
CN1C=NC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595632	0	34	-1.0	-53.11	285.97	2.35	-50.76
CN1C=NC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595632	1	34	-1.0	-53.07	286.03	2.38	-50.69
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CNC(=O)C1	REAL250004595633	0	35	-1.0	-41.48	277.76	-2.07	-43.55
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CNC(=O)C1	REAL250004595633	1	35	-1.0	-41.46	277.82	-2.05	-43.51
CC(C)(O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595634	0	37	-1.0	-45.45	296.10	-0.90	-46.35
CC(C)(O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595634	1	37	-1.0	-45.43	296.16	-0.87	-46.30
CN1N=CC=C1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595635	0	37	-1.0	-47.15	307.87	1.64	-45.51
CN1N=CC=C1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595635	1	37	-1.0	-47.15	307.93	1.66	-45.49
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCCC1	REAL250004595636	0	34	-1.0	-42.87	270.18	2.01	-40.86
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCCC1	REAL250004595636	1	34	-1.0	-42.88	270.24	2.02	-40.86
O=C(C1=CC=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595637	0	29	-1.0	-41.23	250.67	1.17	-40.06
O=C(C1=CC=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595637	1	29	-1.0	-41.29	250.61	1.14	-40.15
CC1=CN=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595638	0	36	-1.0	-49.06	298.24	1.97	-47.09
CC1=CN=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595638	1	36	-1.0	-49.06	298.30	1.99	-47.07
O=C(CC1C=CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595639	0	38	-1.0	-47.33	298.35	3.44	-43.89
O=C(CC1C=CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595639	1	38	-1.0	-47.33	298.41	3.47	-43.86
CC1CCCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595640	0	40	-1.0	-46.31	303.74	3.33	-42.98
CC1CCCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595640	1	40	-1.0	-46.29	303.80	3.35	-42.94
CN1C(=O)CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595641	0	35	-1.0	-52.57	283.50	0.13	-52.44
CN1C(=O)CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595641	1	35	-1.0	-52.57	283.56	0.15	-52.42
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004595642	0	30	-1.0	-45.24	259.57	-1.15	-46.39
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004595642	1	30	-1.0	-45.27	259.63	-1.13	-46.40
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004595643	0	37	-1.0	-46.65	301.44	3.63	-43.02
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004595643	1	37	-1.0	-46.67	301.49	3.65	-43.02
C[C@H](NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595644	0	33	-1.0	-45.23	275.79	-4.22	-49.45
C[C@H](NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595644	1	33	-1.0	-45.23	275.85	-4.20	-49.43
CC(=O)OC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595645	0	36	-1.0	-46.07	284.68	1.79	-44.28
CC(=O)OC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595645	1	36	-1.0	-46.10	284.73	1.82	-44.28
CC1=CC(C)=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595646	0	36	-1.0	-43.16	298.84	2.58	-40.58
CC1=CC(C)=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595646	1	36	-1.0	-43.22	298.90	2.60	-40.62
O=C(C1CCC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595647	0	34	-1.0	-51.28	275.19	2.18	-49.10
O=C(C1CCC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595647	1	34	-1.0	-51.28	275.25	2.20	-49.08
CN1C=C(C(O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595648	0	35	-1.0	-51.06	293.35	-1.33	-52.39
CN1C=C(C(O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595648	1	35	-1.0	-51.08	293.30	-1.36	-52.44
O=C(C1=CC(C2CC2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595649	0	34	-1.0	-41.02	289.56	2.00	-39.02
O=C(C1=CC(C2CC2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595649	1	34	-1.0	-40.98	289.61	2.02	-38.96
O=C([C@H]1CCCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595650	0	35	-1.0	-52.41	283.22	-1.04	-53.45
O=C([C@H]1CCCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595650	1	35	-1.0	-52.37	283.27	-1.01	-53.38
CC1=C(C#N)C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595651	0	35	-1.0	-47.77	300.12	3.14	-44.63
CC1=C(C#N)C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595651	1	35	-1.0	-47.77	300.17	3.17	-44.60
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCC1	REAL250004595652	0	31	-1.0	-42.79	255.57	1.48	-41.31
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCC1	REAL250004595652	1	31	-1.0	-42.77	255.63	1.51	-41.26
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C#N	REAL250004595653	0	35	-1.0	-48.82	300.79	3.12	-45.70
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C#N	REAL250004595653	1	35	-1.0	-48.82	300.84	3.14	-45.68
CCOCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595654	0	38	-1.0	-49.80	310.17	1.41	-48.39
CCOCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595654	1	38	-1.0	-49.80	310.22	1.43	-48.37
CC1CC(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595655	0	38	-1.0	-49.08	295.99	1.88	-47.20
CC1CC(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595655	1	38	-1.0	-49.10	296.05	1.90	-47.20
O=C(COC1=CSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595656	0	32	-1.0	-49.23	285.93	2.18	-47.05
O=C(COC1=CSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595656	1	32	-1.0	-49.25	285.99	2.20	-47.05
CCC1CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595657	0	43	-1.0	-36.48	312.56	3.62	-32.86
CCC1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595657	1	43	-1.0	-36.43	312.62	3.65	-32.78
CC1CCC(O)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595658	0	41	-1.0	-42.99	311.78	0.38	-42.61
CC1CCC(O)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595658	1	41	-1.0	-42.99	311.84	0.40	-42.59
O=C(C1=CON=C1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595659	0	34	-1.0	-46.13	291.13	2.06	-44.07
O=C(C1=CON=C1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595659	1	34	-1.0	-46.18	291.19	2.08	-44.10
CCCC(C)(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595660	0	42	-1.0	-46.87	308.22	2.72	-44.15
CCCC(C)(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595660	1	42	-1.0	-46.87	308.28	2.74	-44.13
O=C(C1=CC=C(F)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595661	0	30	-1.0	-40.51	262.19	1.44	-39.07
O=C(C1=CC=C(F)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595661	1	30	-1.0	-40.53	262.13	1.42	-39.11
CSCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595662	0	37	-1.0	-43.96	296.19	2.02	-41.94
CSCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595662	1	37	-1.0	-43.96	296.25	2.04	-41.92
O=C(C=CC1=CN=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595663	0	31	-1.0	-47.02	280.31	1.04	-45.98
O=C(C=CC1=CN=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595663	1	31	-1.0	-47.02	280.37	1.06	-45.96
O=C([C@H]1C[C@@H]1C(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595664	0	31	-1.0	-50.37	270.37	1.98	-48.39
O=C([C@H]1C[C@@H]1C(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595664	1	31	-1.0	-50.37	270.42	2.00	-48.37
CCCCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595665	0	39	-1.0	-36.83	304.34	2.88	-33.95
CCCCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595665	1	39	-1.0	-36.83	304.39	2.90	-33.93
CC(CC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595666	0	34	-1.0	-42.32	276.45	-2.55	-44.87
CC(CC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595666	1	34	-1.0	-42.31	276.50	-2.53	-44.84
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C=O)N1	REAL250004595667	0	34	-1.0	-50.08	290.44	0.33	-49.75
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C=O)N1	REAL250004595667	1	34	-1.0	-50.05	290.49	0.36	-49.69
CN1N=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595668	0	30	-1.0	-42.92	253.63	-1.42	-44.34
CN1N=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595668	1	30	-1.0	-42.91	253.57	-1.45	-44.36
O=C(C1CCCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595669	0	38	-1.0	-37.63	291.84	0.88	-36.75
O=C(C1CCCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595669	1	38	-1.0	-37.62	291.90	0.90	-36.72
COC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595670	0	37	-1.0	-48.74	288.66	1.52	-47.22
COC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595670	1	37	-1.0	-48.81	288.71	1.55	-47.26
CNC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595671	0	35	-1.0	-41.84	291.29	0.03	-41.81
CNC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595671	1	35	-1.0	-41.88	291.35	0.06	-41.82
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)NC=N1	REAL250004595673	0	34	-1.0	-52.36	286.57	1.35	-51.01
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)NC=N1	REAL250004595673	1	34	-1.0	-52.37	286.62	1.37	-51.00
O=C(C1=NC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595674	0	27	-1.0	-47.81	246.39	-0.72	-48.53
O=C(C1=NC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595674	1	27	-1.0	-47.79	246.34	-0.75	-48.54
CC1=C(C)SC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595675	0	33	-1.0	-42.78	288.36	1.58	-41.20
CC1=C(C)SC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595675	1	33	-1.0	-42.81	288.42	1.61	-41.20
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C#N)O1	REAL250004595676	0	32	-1.0	-43.21	282.74	1.63	-41.58
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C#N)O1	REAL250004595676	1	32	-1.0	-43.18	282.80	1.66	-41.52
CC(C)(C#N)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595677	0	34	-1.0	-43.76	278.65	1.79	-41.97
CC(C)(C#N)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595677	1	34	-1.0	-43.78	278.71	1.82	-41.96
CCC(C)(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595678	0	37	-1.0	-45.25	283.75	0.61	-44.64
CCC(C)(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595678	1	37	-1.0	-45.25	283.81	0.63	-44.62
O=C(C1CCC(F)(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595679	0	34	-1.0	-44.48	278.46	2.16	-42.32
O=C(C1CCC(F)(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595679	1	34	-1.0	-44.43	278.52	2.18	-42.25
CC1(C)CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595680	0	38	-1.0	-49.99	299.72	2.02	-47.97
CC1(C)CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595680	1	38	-1.0	-49.97	299.77	2.05	-47.92
CCN1C=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595681	0	34	-1.0	-45.42	280.67	2.45	-42.97
CCN1C=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595681	1	34	-1.0	-45.43	280.61	2.43	-43.00
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC=C1	REAL250004595682	0	32	-1.0	-47.08	265.61	1.22	-45.86
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC=C1	REAL250004595682	1	32	-1.0	-47.10	265.66	1.25	-45.85
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CO1	REAL250004595683	0	34	-1.0	-45.68	283.58	1.92	-43.76
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CO1	REAL250004595683	1	34	-1.0	-45.67	283.63	1.95	-43.72
C#CC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595684	0	32	-1.0	-44.60	282.88	1.66	-42.94
C#CC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595684	1	32	-1.0	-44.61	282.94	1.67	-42.94
O=C(C1=CC=CN=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595685	0	30	-1.0	-51.57	262.45	0.47	-51.10
O=C(C1=CC=CN=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595685	1	30	-1.0	-51.58	262.39	0.45	-51.13
O=C(C1=CN=CC(O)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595686	0	31	-1.0	-40.95	267.60	-2.46	-43.41
O=C(C1=CN=CC(O)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595686	1	31	-1.0	-40.95	267.65	-2.44	-43.39
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004595687	0	33	-1.0	-44.88	277.17	1.08	-43.80
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004595687	1	33	-1.0	-44.89	277.23	1.11	-43.78
O=C(CCC1=NC=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595688	0	34	-1.0	-47.54	286.97	0.77	-46.77
O=C(CCC1=NC=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595688	1	34	-1.0	-47.53	287.03	0.80	-46.73
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL250004595689	0	36	-1.0	-48.25	296.44	1.75	-46.50
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL250004595689	1	36	-1.0	-48.22	296.49	1.78	-46.44
O=C(C1=C2NC=CC=C2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595690	0	34	-1.0	-52.43	292.37	0.65	-51.78
O=C(C1=C2NC=CC=C2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595690	1	34	-1.0	-52.40	292.43	0.66	-51.74
O=C(C1CCC(O)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595691	0	38	-1.0	-46.06	298.08	-0.67	-46.73
O=C(C1CCC(O)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595691	1	38	-1.0	-46.01	298.14	-0.64	-46.65
O=C(C1=CC=CC(CO)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595692	0	35	-1.0	-48.95	294.54	-0.42	-49.37
O=C(C1=CC=CC(CO)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595692	1	35	-1.0	-48.94	294.60	-0.39	-49.33
O=C(C1=CN=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595693	0	27	-1.0	-38.22	246.47	-0.55	-38.77
O=C(C1=CN=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595693	1	27	-1.0	-38.23	246.41	-0.58	-38.81
O=C(CC1CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595694	0	38	-1.0	-49.22	297.06	1.19	-48.03
O=C(CC1CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595694	1	38	-1.0	-49.19	297.12	1.21	-47.98
O=C(CCC1=CN=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595695	0	35	-1.0	-47.26	296.56	0.45	-46.81
O=C(CCC1=CN=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595695	1	35	-1.0	-47.28	296.62	0.47	-46.81
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1C	REAL250004595696	0	35	-1.0	-48.76	287.69	2.45	-46.31
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1C	REAL250004595696	1	35	-1.0	-48.76	287.74	2.48	-46.28
CC(C)N1C=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595697	0	37	-1.0	-45.70	305.27	3.69	-42.01
CC(C)N1C=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595697	1	37	-1.0	-45.75	305.21	3.67	-42.08
C=CC(C)(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595698	0	35	-1.0	-48.67	283.04	0.08	-48.59
C=CC(C)(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595698	1	35	-1.0	-48.71	283.10	0.11	-48.60
CC(=O)CSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595699	0	33	-1.0	-57.23	293.74	1.56	-55.67
CC(=O)CSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595699	1	33	-1.0	-57.17	293.79	1.58	-55.59
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SCCO1	REAL250004595700	0	34	-1.0	-41.18	291.82	1.42	-39.76
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SCCO1	REAL250004595700	1	34	-1.0	-41.21	291.88	1.44	-39.77
CC1COCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595701	0	38	-1.0	-45.92	286.70	0.69	-45.23
CC1COCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595701	1	38	-1.0	-45.93	286.76	0.72	-45.21
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NS1	REAL250004595702	0	30	-1.0	-44.99	267.11	1.17	-43.82
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NS1	REAL250004595702	1	30	-1.0	-45.01	267.16	1.18	-43.83
CC(C)C1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CO1	REAL250004595703	0	37	-1.0	-45.94	304.30	2.54	-43.40
CC(C)C1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CO1	REAL250004595703	1	37	-1.0	-45.96	304.36	2.57	-43.39
CCC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595704	0	36	-1.0	-44.24	299.58	1.85	-42.39
CCC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595704	1	36	-1.0	-44.25	299.52	1.84	-42.41
CC(C)(C(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595705	0	34	-1.0	-58.68	268.15	-1.43	-60.11
CC(C)(C(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595705	1	34	-1.0	-58.70	268.20	-1.41	-60.11
CSC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595706	0	35	-1.0	-42.91	289.92	2.21	-40.70
CSC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595706	1	35	-1.0	-42.87	289.98	2.24	-40.63
CC(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595707	0	33	-1.0	-43.31	288.91	1.33	-41.98
CC(=O)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595707	1	33	-1.0	-43.27	288.96	1.36	-41.91
O=C(C1CCCN1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595708	1	40	-1.0	-45.44	310.98	0.73	-44.71
O=C(CC1=NC=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595709	0	33	-1.0	-49.92	286.51	1.43	-48.49
O=C(CC1=NC=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595709	1	33	-1.0	-49.92	286.56	1.46	-48.46
CC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595710	0	32	-1.0	-44.50	274.91	0.76	-43.74
CC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595710	1	32	-1.0	-44.48	274.97	0.78	-43.70
CC(C)(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595711	0	34	-1.0	-49.77	273.16	-0.63	-50.40
CC(C)(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595711	1	34	-1.0	-49.80	273.21	-0.60	-50.40
O=C(CCOCC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595712	0	34	-1.0	-47.27	294.74	0.66	-46.61
O=C(CCOCC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595712	1	34	-1.0	-47.25	294.80	0.68	-46.57
CC1C(=O)CCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595713	0	39	-1.0	-47.78	308.07	2.49	-45.29
CC1C(=O)CCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595713	1	39	-1.0	-47.82	308.13	2.52	-45.30
O=C(CCC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595714	0	30	-1.0	-48.41	260.33	1.32	-47.09
O=C(CCC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595714	1	30	-1.0	-48.38	260.39	1.35	-47.03
CC=C(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595715	0	34	-1.0	-46.20	277.70	1.96	-44.24
CC=C(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595715	1	34	-1.0	-46.20	277.76	1.98	-44.22
CN1C=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595716	0	31	-1.0	-46.05	258.04	1.32	-44.73
CN1C=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595716	1	31	-1.0	-46.09	258.09	1.34	-44.75
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595717	0	35	-1.0	-47.57	285.09	1.81	-45.76
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595717	1	35	-1.0	-47.58	285.15	1.83	-45.75
O=C(C[C@@H]1CCCC[C@H]1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595718	0	41	-1.0	-47.50	315.97	0.29	-47.21
O=C(C[C@@H]1CCCC[C@H]1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595718	1	41	-1.0	-47.49	316.02	0.31	-47.18
O=C(C[C@H]1CCCC[C@@H]1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595719	0	41	-1.0	-47.53	315.90	0.28	-47.25
O=C(C[C@H]1CCCC[C@@H]1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595719	1	41	-1.0	-47.50	315.96	0.31	-47.19
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(F)F	REAL250004595720	0	33	-1.0	-45.24	266.63	1.19	-44.05
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(F)F	REAL250004595720	1	33	-1.0	-45.22	266.69	1.21	-44.01
CN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C#N	REAL250004595721	0	32	-1.0	-48.71	284.21	0.19	-48.52
CN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C#N	REAL250004595721	1	32	-1.0	-48.70	284.15	0.16	-48.54
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595722	0	38	-1.0	-43.70	293.54	1.19	-42.51
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595722	1	38	-1.0	-43.71	293.59	1.21	-42.50
CN1C=CC(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595723	0	36	-1.0	-49.44	303.70	3.50	-45.94
CN1C=CC(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595723	1	36	-1.0	-49.42	303.76	3.53	-45.89
CCC(C)C(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595724	0	40	-1.0	-47.92	307.42	2.46	-45.46
CCC(C)C(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595724	1	40	-1.0	-47.94	307.47	2.49	-45.45
O=C(C1=NC=C(F)C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595726	0	30	-1.0	-39.52	269.18	1.38	-38.14
O=C(C1=NC=C(F)C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595726	1	30	-1.0	-39.49	269.12	1.35	-38.14
COC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595727	0	33	-1.0	-42.91	281.16	-1.61	-44.52
COC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595727	1	33	-1.0	-42.88	281.10	-1.64	-44.52
O=C(C[C@H]1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595728	0	35	-1.0	-48.73	280.66	0.41	-48.32
O=C(C[C@H]1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595728	1	35	-1.0	-48.73	280.72	0.43	-48.30
O=C(C1=C(Cl)OC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595729	0	28	-1.0	-46.88	259.17	0.92	-45.96
O=C(C1=C(Cl)OC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595729	1	28	-1.0	-46.88	259.23	0.95	-45.93
CSC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595730	0	32	-1.0	-43.38	279.89	1.98	-41.40
CSC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595730	1	32	-1.0	-43.41	279.95	2.01	-41.40
CN1C=CC=C1C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595732	0	34	-1.0	-44.24	283.50	1.67	-42.57
CN1C=CC=C1C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595732	1	34	-1.0	-44.24	283.56	1.70	-42.54
CC(C)[C@H](O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595733	0	34	-1.0	-45.61	268.85	-0.59	-46.20
CC(C)[C@H](O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595733	1	34	-1.0	-45.56	268.90	-0.57	-46.13
CCC(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595734	0	39	-1.0	-46.21	305.00	3.01	-43.20
CCC(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595734	1	39	-1.0	-46.19	305.06	3.03	-43.16
O=C(C1=C2CCCC2=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595735	0	35	-1.0	-41.21	288.02	2.44	-38.77
O=C(C1=C2CCCC2=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595735	1	35	-1.0	-41.22	288.08	2.47	-38.75
CCOC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595736	0	41	-1.0	-43.19	312.68	2.12	-41.07
CCOC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595736	1	41	-1.0	-43.20	312.74	2.13	-41.07
O=C(C(O)C1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595737	0	34	-1.0	-49.00	283.55	-0.82	-49.82
O=C(C(O)C1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595737	1	34	-1.0	-48.96	283.61	-0.80	-49.76
CC1=NOC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595738	0	33	-1.0	-52.08	283.14	1.48	-50.60
CC1=NOC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595738	1	33	-1.0	-52.05	283.20	1.50	-50.55
O=C(C(O)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595739	0	32	-1.0	-45.49	261.75	-0.67	-46.16
O=C(C(O)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595739	1	32	-1.0	-45.46	261.81	-0.65	-46.11
CCC1OCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595740	0	38	-1.0	-45.61	299.08	0.95	-44.66
CCC1OCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595740	1	38	-1.0	-45.57	299.14	0.98	-44.59
COC(=O)COCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595741	0	34	-1.0	-59.06	295.26	1.12	-57.94
COC(=O)COCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595741	1	34	-1.0	-59.10	295.32	1.15	-57.95
CC(C)(C)CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595742	0	45	-1.0	-46.48	345.90	4.31	-42.17
CC(C)(C)CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595742	1	45	-1.0	-46.45	345.96	4.34	-42.11
CC(C)[C@@H](O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595743	0	34	-1.0	-44.94	264.79	-0.84	-45.78
CC(C)[C@@H](O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595743	1	34	-1.0	-44.96	264.84	-0.81	-45.77
O=C(C1=C(F)C=CN=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595744	0	30	-1.0	-49.14	273.30	0.65	-48.49
O=C(C1=C(F)C=CN=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595744	1	30	-1.0	-49.17	273.24	0.62	-48.55
CC(O)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595745	0	35	-1.0	-38.31	276.95	-0.52	-38.83
CC(O)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595745	1	35	-1.0	-38.29	277.01	-0.50	-38.79
CC(C)(C)OCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595746	0	43	-1.0	-49.16	337.50	2.23	-46.93
CC(C)(C)OCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595746	1	43	-1.0	-49.14	337.56	2.25	-46.89
CC1(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595747	0	37	-1.0	-46.22	285.21	2.38	-43.84
CC1(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595747	1	37	-1.0	-46.18	285.27	2.40	-43.78
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004595748	0	31	-1.0	-46.16	272.08	2.01	-44.15
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004595748	1	31	-1.0	-46.12	272.14	2.04	-44.08
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595749	0	30	-1.0	-42.95	270.50	0.80	-42.15
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595749	1	30	-1.0	-42.93	270.56	0.82	-42.11
CC1=COC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL250004595750	0	34	-1.0	-40.26	281.75	1.85	-38.41
CC1=COC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL250004595750	1	34	-1.0	-40.27	281.81	1.88	-38.39
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1	REAL250004595751	0	35	-1.0	-48.64	287.66	1.54	-47.10
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1	REAL250004595751	1	35	-1.0	-48.65	287.72	1.57	-47.08
CC(C)C1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1	REAL250004595752	0	38	-1.0	-49.03	308.16	2.10	-46.93
CC(C)C1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1	REAL250004595752	1	38	-1.0	-49.02	308.22	2.13	-46.89
CCC(C)(C#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595753	0	34	-1.0	-41.64	274.18	0.99	-40.65
CCC(C)(C#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595753	1	34	-1.0	-41.73	274.23	1.01	-40.72
O=C(COC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595754	0	28	-1.0	-47.39	250.50	0.03	-47.36
O=C(COC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595754	1	28	-1.0	-47.37	250.55	0.05	-47.32
CC1=NC=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595755	0	36	-1.0	-50.13	298.40	2.02	-48.11
CC1=NC=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595755	1	36	-1.0	-50.16	298.45	2.04	-48.12
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595756	0	38	-1.0	-47.04	313.61	4.59	-42.45
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595756	1	38	-1.0	-47.03	313.67	4.62	-42.41
O=C(C1=C(Cl)C=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595757	0	28	-1.0	-38.26	267.41	1.78	-36.48
O=C(C1=C(Cl)C=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595757	1	28	-1.0	-38.28	267.47	1.81	-36.47
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004595758	0	38	-1.0	-49.88	298.86	0.76	-49.12
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595758	1	38	-1.0	-49.90	298.92	0.79	-49.11
CN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595759	0	30	-1.0	-44.57	259.31	-0.96	-45.53
CN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595759	1	30	-1.0	-44.57	259.25	-0.98	-45.55
O=C(C1=CN2C=NC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595760	0	34	-1.0	-45.41	293.15	3.81	-41.60
O=C(C1=CN2C=NC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595760	1	34	-1.0	-45.41	293.21	3.84	-41.57
O=C(C1COC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595761	0	30	-1.0	-54.40	257.73	-3.21	-57.61
O=C(C1COC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595761	1	30	-1.0	-54.37	257.79	-3.18	-57.55
CC1=COC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595762	0	34	-1.0	-45.98	290.56	1.95	-44.03
CC1=COC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595762	1	34	-1.0	-45.94	290.62	1.98	-43.96
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004595763	0	39	-1.0	-42.99	294.19	-0.84	-43.83
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004595763	1	39	-1.0	-43.01	294.24	-0.82	-43.83
CC(C)C1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=C1	REAL250004595764	0	37	-1.0	-40.39	301.48	2.54	-37.85
CC(C)C1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=C1	REAL250004595764	1	37	-1.0	-40.39	301.54	2.56	-37.83
CC1=NC=CN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595765	0	34	-1.0	-52.92	287.78	2.09	-50.83
CC1=NC=CN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595765	1	34	-1.0	-52.90	287.84	2.12	-50.78
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1Cl	REAL250004595766	0	31	-1.0	-40.17	280.02	0.99	-39.18
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1Cl	REAL250004595766	1	31	-1.0	-40.15	279.96	0.97	-39.18
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN=C1F	REAL250004595767	0	33	-1.0	-42.64	282.43	0.95	-41.69
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN=C1F	REAL250004595767	1	33	-1.0	-42.66	282.37	0.93	-41.73
C=CC(C)(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595768	0	32	-1.0	-43.59	261.44	-1.49	-45.08
C=CC(C)(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595768	1	32	-1.0	-43.58	261.50	-1.47	-45.05
CN(C)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595769	1	36	-1.0	-45.41	282.78	-0.81	-46.22
CN(C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595769	1	36	-1.0	-45.38	282.84	-0.78	-46.16
CN1C=C(C=O)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595771	0	34	-1.0	-47.53	288.93	1.42	-46.11
CN1C=C(C=O)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595771	1	34	-1.0	-47.51	288.99	1.44	-46.07
CN1C(C=O)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595772	0	34	-1.0	-49.92	284.38	1.28	-48.64
CN1C(C=O)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595772	1	34	-1.0	-49.91	284.44	1.29	-48.62
O=CN1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595773	0	35	-1.0	-57.90	282.56	1.51	-56.39
O=CN1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595773	1	35	-1.0	-57.92	282.62	1.54	-56.38
O=C(CCC1=NNN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595774	0	33	-1.0	-46.50	281.38	-0.85	-47.35
O=C(CCC1=NNN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595774	1	33	-1.0	-46.46	281.44	-0.82	-47.28
CC1=CNN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595775	0	31	-1.0	-43.87	260.12	0.02	-43.85
CC1=CNN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595775	1	31	-1.0	-43.86	260.18	0.03	-43.83
O=C(CCC1(O)CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595776	0	38	-1.0	-47.92	303.68	-0.04	-47.96
O=C(CCC1(O)CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595776	1	38	-1.0	-47.88	303.74	-0.02	-47.90
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC=CCC1	REAL250004595777	0	38	-1.0	-45.71	283.54	2.64	-43.07
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC=CCC1	REAL250004595777	1	38	-1.0	-45.74	283.59	2.67	-43.07
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CS1	REAL250004595778	0	31	-1.0	-45.29	271.09	1.97	-43.32
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CS1	REAL250004595778	1	31	-1.0	-45.31	271.14	2.00	-43.31
O=C(CC1(O)CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595779	0	35	-1.0	-50.99	283.82	0.00	-50.99
O=C(CC1(O)CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595779	1	35	-1.0	-50.98	283.88	0.02	-50.96
CN1N=CC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595780	0	36	-1.0	-47.71	304.44	0.24	-47.47
CN1N=CC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595780	1	36	-1.0	-47.73	304.50	0.26	-47.47
O=C(CC1CCC2CC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595781	0	38	-1.0	-46.40	299.56	3.67	-42.73
O=C(CC1CCC2CC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595781	1	38	-1.0	-46.39	299.61	3.70	-42.69
CC1=NN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595782	0	32	-1.0	-52.62	287.38	0.04	-52.58
CC1=NN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595782	1	32	-1.0	-52.64	287.44	0.07	-52.57
O=C(CCC1=CN=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595783	0	35	-1.0	-47.22	297.28	2.11	-45.11
O=C(CCC1=CN=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595783	1	35	-1.0	-47.23	297.22	2.08	-45.15
CC[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595784	0	34	-1.0	-46.36	278.68	2.47	-43.89
CC[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595784	1	34	-1.0	-46.37	278.74	2.49	-43.88
O=C(C1CC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595785	0	28	-1.0	-46.17	249.19	1.18	-44.99
O=C(C1CC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595785	1	28	-1.0	-46.21	249.25	1.21	-45.00
O=C(CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595786	0	39	-1.0	-56.05	323.48	3.36	-52.69
O=C(CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595786	1	39	-1.0	-56.05	323.54	3.38	-52.67
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004595787	0	40	-1.0	-47.07	295.19	2.69	-44.38
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004595787	1	40	-1.0	-47.09	295.24	2.72	-44.37
CCCCCC(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595788	0	40	-1.0	-45.07	317.96	1.09	-43.98
CCCCCC(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595788	1	40	-1.0	-45.06	318.01	1.11	-43.95
O=C(C1=CNC2=NC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595789	0	34	-1.0	-48.57	292.25	1.76	-46.81
O=C(C1=CNC2=NC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595789	1	34	-1.0	-48.56	292.31	1.78	-46.78
O=C(C1=CN=C2NC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595789	1	34	-1.0	-47.77	286.09	1.37	-46.40
O=C(C1=CN=C2NC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595789	1	34	-1.0	-47.76	286.15	1.40	-46.36
O=C(CSC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595790	0	28	-1.0	-46.25	262.39	1.15	-45.10
O=C(CSC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595790	1	28	-1.0	-46.22	262.45	1.18	-45.04
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)=C1CCC1	REAL250004595791	0	35	-1.0	-47.64	279.50	2.65	-44.99
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)=C1CCC1	REAL250004595791	1	35	-1.0	-47.63	279.56	2.67	-44.96
CCC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595792	0	36	-1.0	-41.48	298.63	1.98	-39.50
CCC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595792	1	36	-1.0	-41.48	298.69	1.99	-39.49
O=C(C1CC1)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595793	0	37	-1.0	-43.13	311.38	2.88	-40.25
O=C(C1CC1)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595793	1	37	-1.0	-43.16	311.44	2.90	-40.26
O=C(C#CC1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595794	0	30	-1.0	-44.12	283.72	3.01	-41.11
O=C(C#CC1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595794	1	30	-1.0	-44.15	283.78	3.04	-41.11
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595795	0	40	-1.0	-46.23	319.48	3.80	-42.43
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595795	1	40	-1.0	-46.17	319.54	3.82	-42.35
O=C(CCC1CCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595796	0	38	-1.0	-52.96	309.93	-0.23	-53.19
O=C(CCC1CCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595796	1	38	-1.0	-52.97	309.99	-0.21	-53.18
CC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1C	REAL250004595797	0	43	-1.0	-45.77	325.04	3.77	-42.00
CC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1C	REAL250004595797	1	43	-1.0	-45.78	325.10	3.79	-41.99
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595798	0	36	-1.0	-48.49	290.41	0.77	-47.72
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595798	1	36	-1.0	-48.51	290.46	0.79	-47.72
CC(C)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595799	0	39	-1.0	-46.40	308.24	3.12	-43.28
CC(C)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595799	1	39	-1.0	-46.41	308.29	3.15	-43.26
CCCC1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595800	0	43	-1.0	-47.06	323.80	4.29	-42.77
CCCC1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595800	1	43	-1.0	-47.09	323.85	4.31	-42.78
CN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1Cl	REAL250004595801	0	31	-1.0	-40.04	281.20	0.43	-39.61
CN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1Cl	REAL250004595801	1	31	-1.0	-40.12	281.15	0.40	-39.72
CCOC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595802	0	34	-1.0	-40.38	292.32	-1.11	-41.49
CCOC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595802	1	34	-1.0	-40.37	292.27	-1.14	-41.51
CC(C)(CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)[N+](=O)[O-]	REAL250004595803	0	38	-1.0	-53.60	309.25	2.33	-51.27
CC(C)(CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)[N+](=O)[O-]	REAL250004595803	1	38	-1.0	-53.63	309.31	2.35	-51.28
CC1=CN=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595804	0	33	-1.0	-44.28	275.26	1.13	-43.15
CC1=CN=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595804	1	33	-1.0	-44.30	275.20	1.10	-43.20
COCC#CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595805	0	30	-1.0	-46.29	267.58	-0.02	-46.31
COCC#CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595805	1	30	-1.0	-46.28	267.64	0.01	-46.27
O=C(CC1CC(=O)NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595806	0	34	-1.0	-57.91	286.34	-0.60	-58.51
O=C(CC1CC(=O)NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595806	1	34	-1.0	-57.96	286.40	-0.58	-58.54
NC(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595807	0	33	-1.0	-47.75	282.80	-2.70	-50.45
NC(=O)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595807	1	33	-1.0	-47.71	282.86	-2.67	-50.38
O=C(C1=C2C=CNC2=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595808	0	34	-1.0	-47.60	284.74	1.35	-46.25
O=C(C1=C2C=CNC2=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595808	1	34	-1.0	-47.61	284.80	1.38	-46.23
N#CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004595809	0	29	-1.0	-48.06	271.30	1.76	-46.30
N#CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004595809	1	29	-1.0	-48.04	271.36	1.79	-46.25
O=C(C1=NSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595810	0	27	-1.0	-42.00	244.92	0.35	-41.65
O=C(C1=NSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595810	1	27	-1.0	-41.96	244.86	0.34	-41.62
CCC1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595811	0	40	-1.0	-46.61	303.69	3.48	-43.13
CCC1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595811	1	40	-1.0	-46.61	303.75	3.50	-43.11
C#CCOC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595812	0	33	-1.0	-51.70	282.58	1.63	-50.07
C#CCOC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595812	1	33	-1.0	-51.69	282.64	1.65	-50.04
CCC(C)=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595813	0	34	-1.0	-45.54	276.10	2.31	-43.23
CCC(C)=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595813	1	34	-1.0	-45.52	276.16	2.34	-43.18
O=C(C=CC1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595814	0	36	-1.0	-48.45	294.74	0.96	-47.49
O=C(C=CC1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595814	1	36	-1.0	-48.47	294.80	0.99	-47.48
O=C(C1=NN2CCCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595815	0	35	-1.0	-46.46	287.81	1.46	-45.00
O=C(C1=NN2CCCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595815	1	35	-1.0	-46.43	287.87	1.48	-44.95
CC1CCCC1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595816	0	40	-1.0	-45.55	291.59	2.80	-42.75
CC1CCCC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595816	1	40	-1.0	-45.54	291.65	2.83	-42.71
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C#N)N1	REAL250004595817	0	33	-1.0	-46.15	287.97	1.05	-45.10
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C#N)N1	REAL250004595817	1	33	-1.0	-46.12	288.03	1.07	-45.05
O=C(C1=C2CCCN2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595818	0	35	-1.0	-47.86	289.19	0.87	-46.99
O=C(C1=C2CCCN2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595818	1	35	-1.0	-47.86	289.25	0.89	-46.97
O=C(C=CC1=CNN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595819	0	32	-1.0	-49.88	275.77	0.32	-49.56
O=C(C=CC1=CNN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595819	1	32	-1.0	-49.88	275.71	0.30	-49.58
O=C(C1=CC(=O)NN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595820	0	30	-1.0	-44.34	265.88	-2.03	-46.37
O=C(C1=CC(=O)NN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595820	1	30	-1.0	-44.32	265.94	-2.00	-46.32
CC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595821	0	32	-1.0	-53.90	268.25	0.79	-53.11
CC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595821	1	32	-1.0	-53.91	268.30	0.82	-53.09
O=C([C@@H]1CNC(=O)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595822	0	30	-1.0	-57.72	256.12	-2.84	-60.56
O=C([C@@H]1CNC(=O)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595822	1	30	-1.0	-57.68	256.18	-2.82	-60.50
C[Si](C)(C)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595823	0	42	-1.0	-47.76	341.14	5.68	-42.08
C[Si](C)(C)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595823	1	42	-1.0	-47.74	341.19	5.70	-42.04
CC1=NN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595824	0	29	-1.0	-44.93	263.55	-0.39	-45.32
CC1=NN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595824	1	29	-1.0	-44.92	263.61	-0.37	-45.29
C=CC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595825	0	34	-1.0	-45.66	266.21	1.43	-44.23
C=CC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595825	1	34	-1.0	-45.62	266.27	1.46	-44.16
CC(F)(F)C(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595826	0	36	-1.0	-52.93	279.53	1.62	-51.31
CC(F)(F)C(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595826	1	36	-1.0	-52.98	279.59	1.65	-51.33
O=C(CSC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595827	0	32	-1.0	-47.77	281.33	2.48	-45.29
O=C(CSC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595827	1	32	-1.0	-47.74	281.38	2.51	-45.23
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004595828	0	37	-1.0	-51.73	308.37	1.55	-50.18
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004595828	1	37	-1.0	-51.74	308.43	1.57	-50.17
CC1=CC(C#N)=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595829	0	34	-1.0	-46.16	301.58	1.45	-44.71
CC1=CC(C#N)=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595829	1	34	-1.0	-46.21	301.53	1.43	-44.78
O=C([C@H]1C[C@@H]1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595830	0	35	-1.0	-46.51	289.60	3.26	-43.25
O=C([C@H]1C[C@@H]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595830	1	35	-1.0	-46.50	289.65	3.29	-43.21
CC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004595831	0	34	-1.0	-55.54	288.37	1.24	-54.30
CC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004595831	1	34	-1.0	-55.55	288.43	1.27	-54.28
COC1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595832	0	41	-1.0	-48.39	319.82	1.71	-46.68
COC1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595832	1	41	-1.0	-48.37	319.88	1.73	-46.64
CNC(=O)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595833	0	36	-1.0	-57.50	301.87	-2.74	-60.24
CNC(=O)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595833	1	36	-1.0	-57.46	301.93	-2.71	-60.17
CCN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595834	0	33	-1.0	-40.22	280.83	-0.14	-40.36
CCN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595834	1	33	-1.0	-40.18	280.77	-0.17	-40.35
CCOC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595835	0	35	-1.0	-42.66	295.46	-2.16	-44.82
CCOC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595835	1	35	-1.0	-42.72	295.52	-2.13	-44.85
O=C(C1CC2=CC=CC=C2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595836	0	38	-1.0	-46.17	304.97	4.15	-42.02
O=C(C1CC2=CC=CC=C2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595836	1	38	-1.0	-46.15	305.03	4.18	-41.97
CCCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004595837	0	36	-1.0	-42.45	302.04	2.49	-39.96
CCCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004595837	1	36	-1.0	-42.42	302.10	2.52	-39.90
N#CC1=CSC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595838	0	29	-1.0	-55.85	271.35	1.61	-54.24
N#CC1=CSC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595838	1	29	-1.0	-55.84	271.41	1.64	-54.20
CCC1CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595839	0	34	-1.0	-46.34	278.98	2.48	-43.86
CCC1CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595839	1	34	-1.0	-46.36	279.04	2.50	-43.86
O=C(CC1=NC=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595840	0	31	-1.0	-55.62	264.82	0.01	-55.61
O=C(CC1=NC=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595840	1	31	-1.0	-55.65	264.88	0.04	-55.61
O=C(CCC1=NOC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595841	0	33	-1.0	-47.39	282.55	1.37	-46.02
O=C(CCC1=NOC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595841	1	33	-1.0	-47.38	282.61	1.40	-45.98
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)(F)F	REAL250004595842	0	33	-1.0	-40.12	273.21	1.58	-38.54
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)(F)F	REAL250004595842	1	33	-1.0	-40.12	273.26	1.61	-38.51
CC(O)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004595843	0	38	-1.0	-38.13	293.07	0.05	-38.08
CC(O)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004595843	1	38	-1.0	-38.11	293.13	0.08	-38.03
CCN1N=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595844	0	33	-1.0	-42.60	275.08	-0.54	-43.14
CCN1N=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595844	1	33	-1.0	-42.61	275.02	-0.57	-43.18
N#CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595845	0	31	-1.0	-55.65	268.53	1.57	-54.08
N#CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595845	1	31	-1.0	-55.67	268.58	1.59	-54.08
CC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595846	0	34	-1.0	-44.85	288.70	0.31	-44.54
CC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595846	1	34	-1.0	-44.86	288.76	0.33	-44.53
CCN1N=C(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595847	0	36	-1.0	-44.08	299.81	0.44	-43.64
CCN1N=C(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595847	1	36	-1.0	-44.06	299.87	0.46	-43.60
O=CC1=CNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595848	0	31	-1.0	-47.28	269.63	0.33	-46.95
O=CC1=CNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595848	1	31	-1.0	-47.29	269.68	0.34	-46.95
O=C(CC1=CN=CC(O)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595849	0	34	-1.0	-51.79	292.10	-1.36	-53.15
O=C(CC1=CN=CC(O)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595849	1	34	-1.0	-51.77	292.16	-1.34	-53.11
COC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004595850	0	33	-1.0	-48.49	282.71	-0.46	-48.95
COC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004595850	1	33	-1.0	-48.50	282.65	-0.48	-48.98
O=C(C1CC2CCC1CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595851	0	41	-1.0	-46.18	300.64	3.45	-42.73
O=C(C1CC2CCC1CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595851	1	41	-1.0	-46.20	300.70	3.47	-42.73
COCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595852	0	35	-1.0	-46.60	296.69	-0.65	-47.25
COCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595852	1	35	-1.0	-46.62	296.63	-0.67	-47.29
C=CCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595853	0	37	-1.0	-45.87	285.40	2.07	-43.80
C=CCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595853	1	37	-1.0	-45.85	285.46	2.10	-43.75
N#CC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595854	0	32	-1.0	-58.84	274.20	1.92	-56.92
N#CC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595854	1	32	-1.0	-58.81	274.25	1.94	-56.87
CC1=CSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595855	0	31	-1.0	-38.50	273.11	1.92	-36.58
CC1=CSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595855	1	31	-1.0	-38.50	273.16	1.93	-36.57
CCCC(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595856	0	37	-1.0	-48.27	293.62	1.58	-46.69
CCCC(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595856	1	37	-1.0	-48.24	293.68	1.61	-46.63
O=C(C1=NC=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595857	0	30	-1.0	-42.33	271.20	1.69	-40.64
O=C(C1=NC=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595857	1	30	-1.0	-42.30	271.15	1.67	-40.63
O=C(C1=C(C2CC2)OC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595858	0	34	-1.0	-43.20	287.04	0.53	-42.67
O=C(C1=C(C2CC2)OC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595858	1	34	-1.0	-43.23	286.98	0.51	-42.72
O=C(C1=C(F)C=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595859	0	28	-1.0	-39.65	258.26	1.34	-38.31
O=C(C1=C(F)C=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595859	1	28	-1.0	-39.63	258.32	1.37	-38.26
COCC(C)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595860	0	40	-1.0	-48.20	313.13	1.01	-47.19
COCC(C)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595860	1	40	-1.0	-48.20	313.19	1.03	-47.17
CCC[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595861	0	37	-1.0	-46.24	300.44	3.24	-43.00
CCC[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595861	1	37	-1.0	-46.22	300.50	3.27	-42.95
CN1C=CC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595862	0	37	-1.0	-48.61	310.44	1.78	-46.83
CN1C=CC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595862	1	37	-1.0	-48.58	310.50	1.81	-46.77
COC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595863	0	38	-1.0	-38.89	284.99	1.15	-37.74
COC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595863	1	38	-1.0	-38.89	285.04	1.17	-37.72
COC1CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595864	0	41	-1.0	-47.57	314.69	2.98	-44.59
COC1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595864	1	41	-1.0	-47.56	314.75	3.00	-44.56
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004595865	0	33	-1.0	-42.55	277.35	-0.34	-42.89
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004595865	1	33	-1.0	-42.55	277.40	-0.31	-42.86
CCC(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595866	0	34	-1.0	-50.45	278.35	-0.58	-51.03
CCC(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595866	1	34	-1.0	-50.45	278.40	-0.56	-51.01
CC(C)N1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595867	0	36	-1.0	-46.79	299.72	0.55	-46.24
CC(C)N1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595867	1	36	-1.0	-46.83	299.67	0.52	-46.31
O=C(CCCC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595868	0	37	-1.0	-46.72	300.78	3.40	-43.32
O=C(CCCC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595868	1	37	-1.0	-46.74	300.84	3.43	-43.31
O=C(CCC1=NC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595869	0	35	-1.0	-49.00	297.56	1.29	-47.71
O=C(CCC1=NC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595869	1	35	-1.0	-49.00	297.62	1.32	-47.68
O=C(CCC1=CN=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595870	0	33	-1.0	-46.51	292.43	1.34	-45.17
O=C(CCC1=CN=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595870	1	33	-1.0	-46.53	292.37	1.32	-45.21
CC(C)(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595871	0	40	-1.0	-44.86	303.07	3.42	-41.44
CC(C)(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595871	1	40	-1.0	-44.86	303.13	3.44	-41.42
CCC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595872	0	36	-1.0	-43.14	299.06	-0.52	-43.66
CCC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595872	1	36	-1.0	-43.13	299.11	-0.49	-43.62
CN1N=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595873	0	29	-1.0	-44.71	253.83	-1.46	-46.17
CN1N=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595873	1	29	-1.0	-44.70	253.78	-1.47	-46.17
O=C(C1=NOC(CO)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595874	0	31	-1.0	-45.62	270.47	-2.41	-48.03
O=C(C1=NOC(CO)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595874	1	31	-1.0	-45.62	270.52	-2.38	-48.00
O=C(CC1=CC=NC(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595875	0	33	-1.0	-51.07	287.49	1.44	-49.63
O=C(CC1=CC=NC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595875	1	33	-1.0	-51.07	287.55	1.47	-49.60
CC1=CC=C(O)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595876	0	35	-1.0	-46.65	292.43	0.05	-46.60
CC1=CC=C(O)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595876	1	35	-1.0	-46.66	292.49	0.07	-46.59
COCC1=NOC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595877	0	34	-1.0	-48.20	293.31	-0.48	-48.68
COCC1=NOC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595877	1	34	-1.0	-48.15	293.37	-0.46	-48.61
COC(=O)CC(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595878	0	39	-1.0	-54.31	315.76	2.32	-51.99
COC(=O)CC(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595878	1	39	-1.0	-54.28	315.82	2.35	-51.93
O=C(C1=C(C2CC2)N=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595879	0	34	-1.0	-39.95	286.89	-0.48	-40.43
O=C(C1=C(C2CC2)N=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595879	1	34	-1.0	-39.97	286.95	-0.46	-40.43
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCCCC1	REAL250004595880	0	37	-1.0	-42.51	286.71	2.53	-39.98
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCCCC1	REAL250004595880	1	37	-1.0	-42.49	286.76	2.54	-39.95
N#CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595881	0	31	-1.0	-50.11	276.69	1.65	-48.46
N#CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595881	1	31	-1.0	-50.11	276.63	1.62	-48.49
CC(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595882	0	34	-1.0	-46.87	289.62	0.91	-45.96
CC(=O)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595882	1	34	-1.0	-46.84	289.67	0.93	-45.91
O=C(CC1CCCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595883	0	38	-1.0	-54.86	303.94	-0.06	-54.92
O=C(CC1CCCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595883	1	38	-1.0	-54.85	304.00	-0.03	-54.88
O=C(C1CCCSC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595884	0	35	-1.0	-43.85	287.64	2.45	-41.40
O=C(C1CCCSC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595884	1	35	-1.0	-43.86	287.69	2.47	-41.39
O=C(C1=NN2CCOC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595885	0	33	-1.0	-44.13	278.78	-1.41	-45.54
O=C(C1=NN2CCOC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595885	1	33	-1.0	-44.15	278.72	-1.43	-45.58
CC1CC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595886	0	34	-1.0	-46.48	276.46	2.46	-44.02
CC1CC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595886	1	34	-1.0	-46.49	276.52	2.48	-44.01
C#CC1=CC=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595887	0	36	-1.0	-49.11	311.35	4.35	-44.76
C#CC1=CC=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595887	1	36	-1.0	-49.05	311.41	4.37	-44.68
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595888	0	33	-1.0	-58.60	279.30	-4.13	-62.73
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595888	1	33	-1.0	-58.63	279.36	-4.10	-62.73
C=CC(=O)N(CC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595889	0	38	-1.0	-52.84	317.19	1.78	-51.06
C=CC(=O)N(CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595889	1	38	-1.0	-52.84	317.24	1.81	-51.03
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595890	0	30	-1.0	-47.99	259.43	-0.82	-48.81
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595890	1	30	-1.0	-47.98	259.37	-0.84	-48.82
NC(=O)C1CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595891	0	35	-1.0	-58.10	284.02	-2.01	-60.11
NC(=O)C1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595891	1	35	-1.0	-58.14	284.08	-1.99	-60.13
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(CO)=NO1	REAL250004595892	0	34	-1.0	-44.40	296.81	-1.97	-46.37
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(CO)=NO1	REAL250004595892	1	34	-1.0	-44.44	296.86	-1.94	-46.38
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004595893	0	37	-1.0	-46.89	278.69	2.18	-44.71
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595893	1	37	-1.0	-46.85	278.75	2.20	-44.65
CC1=NSC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595894	0	33	-1.0	-42.75	292.05	1.33	-41.42
CC1=NSC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595894	1	33	-1.0	-42.77	292.11	1.35	-41.42
O=C(C1=CN(CCF)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595895	0	34	-1.0	-46.34	291.52	0.98	-45.36
O=C(C1=CN(CCF)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595895	1	34	-1.0	-46.31	291.46	0.96	-45.35
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCOC1	REAL250004595896	0	32	-1.0	-44.01	261.73	-0.54	-44.55
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCOC1	REAL250004595896	1	32	-1.0	-43.99	261.79	-0.52	-44.51
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CCF)CC1	REAL250004595897	0	34	-1.0	-46.04	281.40	2.19	-43.85
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CCF)CC1	REAL250004595897	1	34	-1.0	-46.00	281.45	2.21	-43.79
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1C	REAL250004595898	0	38	-1.0	-43.04	307.95	3.15	-39.89
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1C	REAL250004595898	1	38	-1.0	-43.04	308.00	3.17	-39.87
O=C(CN1C=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595899	0	31	-1.0	-52.90	267.04	2.28	-50.62
O=C(CN1C=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595899	1	31	-1.0	-52.91	267.09	2.31	-50.60
N#CC1=CC=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595900	0	31	-1.0	-51.29	275.99	0.71	-50.58
N#CC1=CC=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595900	1	31	-1.0	-51.33	275.94	0.69	-50.64
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O=C(CN1C=C(Cl)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595901	1	31	-1.0	-53.55	283.48	1.16	-52.39
CC1=NN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004595902	0	32	-1.0	-54.87	278.33	-3.79	-58.66
CC1=NN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004595902	1	32	-1.0	-54.83	278.39	-3.76	-58.59
CC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595903	0	40	-1.0	-45.63	303.94	3.38	-42.25
CC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595903	1	40	-1.0	-45.60	304.00	3.41	-42.19
N#CCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595904	0	37	-1.0	-54.31	311.53	3.14	-51.17
N#CCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595904	1	37	-1.0	-54.33	311.59	3.17	-51.16
CCOC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595905	0	38	-1.0	-49.46	307.90	1.50	-47.96
CCOC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595905	1	38	-1.0	-49.45	307.96	1.52	-47.93
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CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC(=O)N1	REAL250004595907	0	32	-1.0	-46.07	277.09	-2.38	-48.45
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC(=O)N1	REAL250004595907	1	32	-1.0	-46.06	277.15	-2.36	-48.42
CC1=NN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004595908	0	33	-1.0	-60.21	281.43	0.55	-59.66
CC1=NN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004595908	1	33	-1.0	-60.21	281.48	0.57	-59.64
O=C(C1CCNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595909	0	32	-1.0	-45.53	260.52	-2.24	-47.77
O=C(C1CCNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595909	1	32	-1.0	-45.54	260.58	-2.22	-47.76
O=C(C1=CC(C(F)F)=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595910	0	31	-1.0	-44.07	275.13	-0.05	-44.12
O=C(C1=CC(C(F)F)=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595910	1	31	-1.0	-44.09	275.19	-0.02	-44.11
O=C(C=CC1=NC=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595912	0	32	-1.0	-44.94	277.38	0.69	-44.25
O=C(C=CC1=NC=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595912	1	32	-1.0	-44.93	277.44	0.71	-44.22
CC(CC1=CNC=N1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595913	0	37	-1.0	-50.32	301.20	2.52	-47.80
CC(CC1=CNC=N1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595913	1	37	-1.0	-50.31	301.26	2.55	-47.76
CC(CC1=CN=CN1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595913	1	37	-1.0	-49.07	302.64	1.86	-47.21
O=C(CC1CCC(=O)NC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595914	0	38	-1.0	-52.27	303.10	-0.44	-52.71
O=C(CC1CCC(=O)NC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595914	1	38	-1.0	-52.31	303.16	-0.42	-52.73
O=C(COCC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595915	0	41	-1.0	-49.44	326.12	3.38	-46.06
O=C(COCC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595915	1	41	-1.0	-49.46	326.18	3.40	-46.06
O=C(CC1CC2CCC1O2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595916	0	39	-1.0	-46.07	304.30	1.50	-44.57
O=C(CC1CC2CCC1O2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595916	1	39	-1.0	-46.06	304.36	1.53	-44.53
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCC2)CCC1	REAL250004595917	0	41	-1.0	-47.76	298.63	3.50	-44.26
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCC2)CCC1	REAL250004595917	1	41	-1.0	-47.77	298.69	3.53	-44.24
CC1(C)CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595918	0	41	-1.0	-44.94	312.25	3.37	-41.57
CC1(C)CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595918	1	41	-1.0	-44.93	312.31	3.39	-41.54
CC1CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595919	0	38	-1.0	-38.46	294.04	3.02	-35.44
CC1CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595919	1	38	-1.0	-38.46	294.09	3.05	-35.41
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595920	0	36	-1.0	-50.68	281.41	0.58	-50.10
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595920	1	36	-1.0	-50.67	281.47	0.60	-50.07
CC(C)CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595921	0	42	-1.0	-46.47	329.73	3.91	-42.56
CC(C)CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595921	1	42	-1.0	-46.45	329.79	3.94	-42.51
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCO1	REAL250004595922	0	38	-1.0	-38.30	287.32	1.39	-36.91
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCO1	REAL250004595922	1	38	-1.0	-38.32	287.38	1.41	-36.91
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595923	0	41	-1.0	-49.69	311.79	1.30	-48.39
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595923	1	41	-1.0	-49.73	311.85	1.33	-48.40
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595924	0	37	-1.0	-49.68	292.02	2.08	-47.60
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595924	1	37	-1.0	-49.68	292.08	2.11	-47.57
CN1C(=O)CCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595925	0	38	-1.0	-53.21	300.33	0.77	-52.44
CN1C(=O)CCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595925	1	38	-1.0	-53.22	300.39	0.80	-52.42
O=C(CC1CC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595926	0	32	-1.0	-52.29	271.08	-2.52	-54.81
O=C(CC1CC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595926	1	32	-1.0	-52.27	271.13	-2.49	-54.76
O=C(C1CCOC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595927	0	33	-1.0	-54.39	274.10	-2.14	-56.53
O=C(C1CCOC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595927	1	33	-1.0	-54.39	274.16	-2.11	-56.50
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC(=O)N1	REAL250004595928	0	38	-1.0	-43.36	305.00	-0.77	-44.13
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC(=O)N1	REAL250004595928	1	38	-1.0	-43.36	305.06	-0.75	-44.11
O=C(C1=CSC(CO)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595929	0	31	-1.0	-47.79	279.28	-2.52	-50.31
O=C(C1=CSC(CO)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595929	1	31	-1.0	-47.79	279.33	-2.51	-50.30
O=C(CCC1=CNN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595930	0	34	-1.0	-48.41	287.50	0.58	-47.83
O=C(CCC1=CNN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595930	1	34	-1.0	-48.38	287.44	0.56	-47.82
CCC1=NN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004595931	0	32	-1.0	-44.50	285.04	0.36	-44.14
CCC1=NN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004595931	1	32	-1.0	-44.50	285.09	0.39	-44.11
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004595932	0	37	-1.0	-46.55	292.05	2.79	-43.76
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004595932	1	37	-1.0	-46.55	292.11	2.81	-43.74
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC=C1C#N	REAL250004595933	0	34	-1.0	-41.01	295.98	2.23	-38.78
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC=C1C#N	REAL250004595933	1	34	-1.0	-40.98	296.04	2.26	-38.72
CCC(CC(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595934	0	36	-1.0	-47.77	287.44	2.13	-45.64
CCC(CC(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595934	1	36	-1.0	-47.76	287.50	2.16	-45.60
CCC(C)(C)OCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595935	0	40	-1.0	-49.04	311.87	2.42	-46.62
CCC(C)(C)OCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595935	1	40	-1.0	-49.00	311.93	2.44	-46.56
CC(C)(C)C1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004595936	0	43	-1.0	-46.70	325.57	3.76	-42.94
CC(C)(C)C1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595936	1	43	-1.0	-46.70	325.63	3.77	-42.93
CC(C)(C)C#CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595937	0	35	-1.0	-44.71	296.38	2.87	-41.84
CC(C)(C)C#CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595937	1	35	-1.0	-44.71	296.44	2.89	-41.82
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CO)CCOCC1	REAL250004595938	0	39	-1.0	-50.56	292.07	-2.98	-53.54
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CO)CCOCC1	REAL250004595938	1	39	-1.0	-50.55	292.12	-2.96	-53.51
CC1=NON=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595939	0	32	-1.0	-54.66	277.51	-0.23	-54.89
CC1=NON=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595939	1	32	-1.0	-54.66	277.57	-0.20	-54.86
CC1=CN(C)N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595940	0	34	-1.0	-48.99	282.94	1.36	-47.63
CC1=CN(C)N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595940	1	34	-1.0	-48.97	282.88	1.33	-47.64
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595941	0	38	-1.0	-47.05	313.63	4.60	-42.45
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595941	1	38	-1.0	-47.05	313.68	4.62	-42.43
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCOC1	REAL250004595942	0	33	-1.0	-44.13	262.52	-3.48	-47.61
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCOC1	REAL250004595942	1	33	-1.0	-44.16	262.58	-3.45	-47.61
O=C(C1=CN=CC(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595943	0	30	-1.0	-42.58	272.36	0.99	-41.59
O=C(C1=CN=CC(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595943	1	30	-1.0	-42.60	272.30	0.96	-41.64
O=C(C(O)C1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595944	0	35	-1.0	-45.35	276.25	0.28	-45.07
O=C(C(O)C1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595944	1	35	-1.0	-45.31	276.30	0.30	-45.01
CCCC(CC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595945	0	45	-1.0	-45.56	337.73	4.05	-41.51
CCCC(CC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595945	1	45	-1.0	-45.53	337.79	4.08	-41.45
CCC(CC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595946	0	42	-1.0	-46.14	316.16	3.16	-42.98
CCC(CC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595946	1	42	-1.0	-46.14	316.22	3.18	-42.96
O=C(C1=CC2=CC=CNC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595947	0	34	-1.0	-62.00	288.57	2.41	-59.59
O=C(C1=CC2=CC=CNC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595947	1	34	-1.0	-61.97	288.63	2.44	-59.53
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC(=O)CC1	REAL250004595948	0	39	-1.0	-47.91	293.05	1.73	-46.18
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC(=O)CC1	REAL250004595948	1	39	-1.0	-47.88	293.11	1.76	-46.12
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL250004595949	0	34	-1.0	-43.41	288.98	0.80	-42.61
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL250004595949	1	34	-1.0	-43.38	288.93	0.77	-42.61
COCC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595950	0	40	-1.0	-47.13	310.97	1.38	-45.75
COCC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595950	1	40	-1.0	-47.14	311.02	1.41	-45.73
O=C(C1CCC(F)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595951	0	37	-1.0	-45.35	293.44	2.78	-42.57
O=C(C1CCC(F)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595951	1	37	-1.0	-45.33	293.49	2.80	-42.53
CCC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595952	0	36	-1.0	-43.87	297.94	2.72	-41.15
CCC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595952	1	36	-1.0	-43.89	298.00	2.75	-41.14
O=C(CC1CC(F)(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595953	0	34	-1.0	-49.31	287.25	2.54	-46.77
O=C(CC1CC(F)(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595953	1	34	-1.0	-49.29	287.31	2.56	-46.73
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1C	REAL250004595954	0	36	-1.0	-46.93	294.46	2.49	-44.44
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1C	REAL250004595954	1	36	-1.0	-46.94	294.52	2.52	-44.42
C=CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004595955	0	41	-1.0	-47.71	311.26	3.44	-44.27
C=CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004595955	1	41	-1.0	-47.73	311.32	3.45	-44.28
COC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004595956	0	35	-1.0	-48.48	296.99	-1.19	-49.67
COC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004595956	1	35	-1.0	-48.52	296.94	-1.22	-49.74
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004595957	0	30	-1.0	-46.30	264.86	1.39	-44.91
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004595957	1	30	-1.0	-46.27	264.92	1.41	-44.86
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595958	0	32	-1.0	-47.06	272.32	0.51	-46.55
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595958	1	32	-1.0	-47.04	272.37	0.53	-46.51
CC(C)CC(C(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595959	0	40	-1.0	-51.88	319.15	-1.36	-53.24
CC(C)CC(C(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595959	1	40	-1.0	-51.92	319.20	-1.33	-53.25
CCCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CN1	REAL250004595960	0	38	-1.0	-48.87	309.17	2.31	-46.56
CCCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CN1	REAL250004595960	1	38	-1.0	-48.86	309.23	2.33	-46.53
COC(CC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595961	0	40	-1.0	-47.65	307.67	2.00	-45.65
COC(CC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595961	1	40	-1.0	-47.68	307.73	2.03	-45.65
O=C(C1CCC2CC2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595962	0	38	-1.0	-45.54	290.61	3.15	-42.39
O=C(C1CCC2CC2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595962	1	38	-1.0	-45.48	290.66	3.16	-42.32
CC1=C(F)C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595963	0	34	-1.0	-45.37	286.82	2.93	-42.44
CC1=C(F)C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595963	1	34	-1.0	-45.36	286.88	2.95	-42.41
CN1C=NC=C1C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595964	0	35	-1.0	-43.91	295.53	2.88	-41.03
CN1C=NC=C1C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595964	1	35	-1.0	-43.92	295.58	2.90	-41.02
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1(F)F	REAL250004595965	0	31	-1.0	-43.44	266.17	1.43	-42.01
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1(F)F	REAL250004595965	1	31	-1.0	-43.40	266.22	1.45	-41.95
CN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004595966	0	38	-1.0	-40.19	302.87	0.65	-39.54
CN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004595966	1	38	-1.0	-40.20	302.93	0.68	-39.52
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004595967	0	37	-1.0	-46.68	303.21	1.75	-44.93
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004595967	1	37	-1.0	-46.69	303.15	1.73	-44.96
C=CC(=O)N(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595968	0	35	-1.0	-54.09	295.09	0.81	-53.28
C=CC(=O)N(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595968	1	35	-1.0	-54.13	295.15	0.83	-53.30
O=C(CC1=NN=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595969	0	30	-1.0	-60.33	259.44	0.70	-59.63
O=C(CC1=NN=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595969	1	30	-1.0	-60.30	259.50	0.73	-59.57
COC1=NSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595970	0	31	-1.0	-38.08	278.43	-1.93	-40.01
COC1=NSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595970	1	31	-1.0	-38.10	278.37	-1.94	-40.04
O=C(C(F)=C1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595971	0	32	-1.0	-40.41	267.77	2.26	-38.15
O=C(C(F)=C1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595971	1	32	-1.0	-40.41	267.82	2.28	-38.13
CNC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595972	0	34	-1.0	-41.75	285.43	-0.86	-42.61
CNC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595972	1	34	-1.0	-41.77	285.37	-0.89	-42.66
CC1CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595973	0	40	-1.0	-45.84	294.24	3.00	-42.84
CC1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595973	1	40	-1.0	-45.77	294.30	3.03	-42.74
NC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004595974	0	32	-1.0	-58.38	276.64	1.70	-56.68
NC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004595974	1	32	-1.0	-58.37	276.58	1.67	-56.70
O=C(C1CCCC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595975	0	37	-1.0	-44.43	292.15	2.74	-41.69
O=C(C1CCCC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595975	1	37	-1.0	-44.44	292.20	2.76	-41.68
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1(F)Cl	REAL250004595976	0	31	-1.0	-38.95	275.51	1.83	-37.12
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1(F)Cl	REAL250004595976	1	31	-1.0	-38.96	275.56	1.86	-37.10
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1F	REAL250004595977	0	31	-1.0	-44.62	260.37	1.41	-43.21
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1F	REAL250004595977	1	31	-1.0	-44.62	260.43	1.43	-43.19
C=C(C)C(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595978	0	37	-1.0	-46.11	280.36	2.15	-43.96
C=C(C)C(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595978	1	37	-1.0	-46.05	280.42	2.17	-43.88
CN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC1=O	REAL250004595979	0	34	-1.0	-54.87	283.30	-2.08	-56.95
CN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC1=O	REAL250004595979	1	34	-1.0	-54.86	283.35	-2.06	-56.92
CCC(CC)(CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595980	0	40	-1.0	-51.20	296.49	-1.32	-52.52
CCC(CC)(CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595980	1	40	-1.0	-51.19	296.54	-1.29	-52.48
CC1=C(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595981	0	41	-1.0	-37.26	314.31	3.69	-33.57
CC1=C(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595981	1	41	-1.0	-37.20	314.37	3.72	-33.48
O=C(C1=CN2CCCC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595982	0	35	-1.0	-50.05	288.07	2.75	-47.30
O=C(C1=CN2CCCC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595982	1	35	-1.0	-50.04	288.13	2.77	-47.27
CON1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595983	0	40	-1.0	-45.89	317.26	0.47	-45.42
CON1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595983	1	40	-1.0	-45.89	317.32	0.50	-45.39
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL250004595985	0	36	-1.0	-47.68	296.73	1.87	-45.81
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL250004595985	1	36	-1.0	-47.67	296.79	1.89	-45.78
O=C(C1CC2(CCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595986	0	38	-1.0	-46.01	301.38	3.40	-42.61
O=C(C1CC2(CCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595986	1	38	-1.0	-45.98	301.44	3.42	-42.56
COC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004595987	0	34	-1.0	-48.42	285.64	0.71	-47.71
COC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004595987	1	34	-1.0	-48.47	285.59	0.69	-47.78
CCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595988	0	34	-1.0	-48.77	285.68	1.55	-47.22
CCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595988	1	34	-1.0	-48.79	285.62	1.52	-47.27
O=C(C=CC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595989	0	38	-1.0	-37.71	304.00	3.52	-34.19
O=C(C=CC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595989	1	38	-1.0	-37.74	304.06	3.54	-34.20
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595990	0	32	-1.0	-43.31	268.89	-0.02	-43.33
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595990	1	32	-1.0	-43.32	268.95	0.00	-43.32
O=C(C1CCC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595991	0	33	-1.0	-46.60	269.54	1.10	-45.50
O=C(C1CCC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595991	1	33	-1.0	-46.56	269.60	1.11	-45.45
COCC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595993	0	38	-1.0	-45.57	309.88	1.39	-44.18
COCC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595993	1	38	-1.0	-45.52	309.94	1.41	-44.11
CN1C=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004595994	0	34	-1.0	-54.59	288.27	1.05	-53.54
CN1C=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004595994	1	34	-1.0	-54.55	288.32	1.07	-53.48
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CF)CCC1	REAL250004595995	0	34	-1.0	-50.31	271.26	1.74	-48.57
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CF)CCC1	REAL250004595995	1	34	-1.0	-50.33	271.31	1.76	-48.57
C=CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004595996	0	34	-1.0	-47.10	294.15	0.63	-46.47
C=CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004595996	1	34	-1.0	-47.13	294.09	0.61	-46.52
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595997	0	43	-1.0	-46.25	335.60	4.19	-42.06
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595997	1	43	-1.0	-46.22	335.66	4.22	-42.00
CC1=NOC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595998	0	30	-1.0	-38.04	259.65	0.47	-37.57
CC1=NOC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595998	1	30	-1.0	-38.02	259.71	0.49	-37.53
O=C(C1CS(=O)(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595999	0	31	-1.0	-51.84	270.22	-2.59	-54.43
O=C(C1CS(=O)(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595999	1	31	-1.0	-51.86	270.28	-2.56	-54.42
O=C(C1CCCNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596000	0	35	-1.0	-50.16	281.06	-1.33	-51.49
O=C(C1CCCNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596000	1	35	-1.0	-50.16	281.12	-1.31	-51.47
CN1C(=O)NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596001	0	32	-1.0	-43.65	277.51	-0.92	-44.57
CN1C(=O)NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596001	1	32	-1.0	-43.66	277.56	-0.90	-44.56
CCC=C(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596002	0	31	-1.0	-42.11	261.91	1.59	-40.52
CCC=C(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596002	1	31	-1.0	-42.10	261.96	1.61	-40.49
O=C(CC1CSC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596003	0	32	-1.0	-49.62	273.88	1.97	-47.65
O=C(CC1CSC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596003	1	32	-1.0	-49.60	273.93	1.99	-47.61
COC1=NN(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596004	0	35	-1.0	-53.97	297.85	-2.01	-55.98
COC1=NN(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596004	1	35	-1.0	-53.97	297.80	-2.03	-56.00
CSC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004596005	0	32	-1.0	-47.34	287.08	1.58	-45.76
CSC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004596005	1	32	-1.0	-47.32	287.14	1.61	-45.71
C#CCN1CCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596007	0	38	-1.0	-50.21	309.54	1.00	-49.21
C#CCN1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596007	1	38	-1.0	-50.23	309.60	1.01	-49.22
O=C(C1=CC=CC(C2CC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596008	0	38	-1.0	-45.13	309.99	4.33	-40.80
O=C(C1=CC=CC(C2CC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596008	1	38	-1.0	-45.13	310.05	4.35	-40.78
COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596009	0	32	-1.0	-43.15	275.92	0.98	-42.17
COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596009	1	32	-1.0	-43.11	275.98	1.00	-42.11
CC(C)(C)N1CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596010	1	42	-1.0	-49.06	319.92	0.01	-49.05
CC(C)(C)N1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596010	1	42	-1.0	-49.06	319.98	0.03	-49.03
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC=N1	REAL250004596012	0	31	-1.0	-41.80	266.33	0.44	-41.36
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC=N1	REAL250004596012	1	31	-1.0	-41.76	266.39	0.46	-41.30
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC=N1	REAL250004596013	0	34	-1.0	-41.83	286.95	1.13	-40.70
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC=N1	REAL250004596013	1	34	-1.0	-41.86	287.01	1.15	-40.71
COC(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596014	0	32	-1.0	-47.86	262.34	-0.59	-48.45
COC(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596014	1	32	-1.0	-47.84	262.40	-0.57	-48.41
CN1C(Cl)=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596015	0	31	-1.0	-42.89	274.75	1.07	-41.82
CN1C(Cl)=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596015	1	31	-1.0	-42.90	274.69	1.05	-41.85
N#CCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596016	0	34	-1.0	-50.21	290.02	2.35	-47.86
N#CCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596016	1	34	-1.0	-50.21	290.08	2.38	-47.83
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CF)CC1	REAL250004596017	0	31	-1.0	-50.08	261.43	1.51	-48.57
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CF)CC1	REAL250004596017	1	31	-1.0	-50.06	261.48	1.53	-48.53
CC(=CC1=CC=CO1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596018	0	35	-1.0	-45.88	295.65	2.53	-43.35
CC(=CC1=CC=CO1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596018	1	35	-1.0	-45.86	295.71	2.56	-43.30
O=C(C1=COC(CO)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596019	0	32	-1.0	-47.33	274.89	-2.25	-49.58
O=C(C1=COC(CO)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596019	1	32	-1.0	-47.28	274.95	-2.23	-49.51
O=C(C1CSC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596020	0	29	-1.0	-44.35	251.96	1.16	-43.19
O=C(C1CSC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596020	1	29	-1.0	-44.35	252.02	1.19	-43.16
C[C@H]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596021	0	40	-1.0	-45.62	307.91	3.32	-42.30
C[C@H]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596021	1	40	-1.0	-45.65	307.97	3.34	-42.31
CCC(CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596023	0	34	-1.0	-44.03	268.63	-1.59	-45.62
CCC(CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596023	1	34	-1.0	-44.05	268.69	-1.57	-45.62
O=C(CNC1=CC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596024	0	35	-1.0	-49.81	293.86	0.62	-49.19
O=C(CNC1=CC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596024	1	35	-1.0	-49.83	293.92	0.64	-49.19
O=C([C@@H]1C[C@H]1C1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596025	0	38	-1.0	-46.44	305.59	3.78	-42.66
O=C([C@@H]1C[C@H]1C1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596025	1	38	-1.0	-46.46	305.65	3.80	-42.66
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596026	0	39	-1.0	-47.29	294.94	3.37	-43.92
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596026	1	39	-1.0	-47.30	295.00	3.39	-43.91
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004596027	0	37	-1.0	-46.24	303.75	3.21	-43.03
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004596027	1	37	-1.0	-46.21	303.80	3.24	-42.97
CCN1C=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596028	0	37	-1.0	-54.51	309.79	1.91	-52.60
CCN1C=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596028	1	37	-1.0	-54.50	309.85	1.94	-52.56
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1COC2	REAL250004596029	0	33	-1.0	-47.78	267.87	0.02	-47.76
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1COC2	REAL250004596029	1	33	-1.0	-47.78	267.93	0.05	-47.73
CCC1=NOC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596030	0	33	-1.0	-45.34	281.14	1.23	-44.11
CCC1=NOC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596030	1	33	-1.0	-45.37	281.19	1.24	-44.13
CC(=O)NCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596031	0	40	-1.0	-56.14	312.16	-0.43	-56.57
CC(=O)NCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596031	1	40	-1.0	-56.18	312.21	-0.40	-56.58
CCC(C#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596032	0	31	-1.0	-44.76	263.25	0.91	-43.85
CCC(C#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596032	1	31	-1.0	-44.77	263.30	0.93	-43.84
O=C(C1CC1C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596033	0	41	-1.0	-46.48	322.77	4.32	-42.16
O=C(C1CC1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596033	1	41	-1.0	-46.49	322.83	4.34	-42.15
CSCC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596034	0	38	-1.0	-44.76	319.48	3.49	-41.27
CSCC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596034	1	38	-1.0	-44.75	319.54	3.51	-41.24
CCCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596035	0	39	-1.0	-46.47	292.21	2.24	-44.23
CCCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596035	1	39	-1.0	-46.47	292.27	2.26	-44.21
CC1(C)OCC2CC21C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596036	0	39	-1.0	-44.09	300.99	1.02	-43.07
CC1(C)OCC2CC21C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596036	1	39	-1.0	-44.08	301.05	1.05	-43.03
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004596037	0	40	-1.0	-44.91	309.28	3.23	-41.68
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004596037	1	40	-1.0	-44.90	309.34	3.25	-41.65
CN1C=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596038	0	34	-1.0	-49.88	295.70	0.30	-49.58
CN1C=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596038	1	34	-1.0	-49.83	295.76	0.33	-49.50
CNC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004596039	0	32	-1.0	-46.09	283.52	0.20	-45.89
CNC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004596039	1	32	-1.0	-46.08	283.47	0.17	-45.91
O=C(C1CC2(CC2(F)F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596040	0	35	-1.0	-46.12	297.75	3.06	-43.06
O=C(C1CC2(CC2(F)F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596040	1	35	-1.0	-46.10	297.81	3.08	-43.02
CSC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596041	0	34	-1.0	-48.59	273.41	1.33	-47.26
CSC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596041	1	34	-1.0	-48.58	273.47	1.36	-47.22
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CC1	REAL250004596042	0	33	-1.0	-41.27	285.46	0.85	-40.42
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CC1	REAL250004596042	1	33	-1.0	-41.27	285.40	0.84	-40.43
CC(C)(O)C(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596043	0	35	-1.0	-47.65	273.98	-3.43	-51.08
CC(C)(O)C(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596043	1	35	-1.0	-47.59	274.04	-3.41	-51.00
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(=O)C1	REAL250004596044	0	33	-1.0	-45.74	268.91	0.80	-44.94
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(=O)C1	REAL250004596044	1	33	-1.0	-45.70	268.97	0.83	-44.87
CCC(O)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596045	0	37	-1.0	-48.56	291.78	-0.85	-49.41
CCC(O)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596045	1	37	-1.0	-48.58	291.84	-0.83	-49.41
CCC1=CNC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596046	0	37	-1.0	-55.79	308.12	1.33	-54.46
CCC1=CNC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596046	1	37	-1.0	-55.78	308.18	1.36	-54.42
O=C(C1CC2CC2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596047	0	35	-1.0	-45.86	276.88	2.73	-43.13
O=C(C1CC2CC2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596047	1	35	-1.0	-45.94	276.93	2.75	-43.19
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004596048	0	35	-1.0	-39.88	294.56	2.62	-37.26
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004596048	1	35	-1.0	-39.88	294.62	2.65	-37.23
CC=CC(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596049	0	32	-1.0	-45.11	265.74	-0.43	-45.54
CC=CC(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596049	1	32	-1.0	-45.07	265.80	-0.41	-45.48
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCNC1=O	REAL250004596050	0	35	-1.0	-54.87	276.56	-2.16	-57.03
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCNC1=O	REAL250004596050	1	35	-1.0	-54.81	276.62	-2.14	-56.95
CC1=CC=NC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596051	0	36	-1.0	-49.31	298.26	1.97	-47.34
CC1=CC=NC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596051	1	36	-1.0	-49.30	298.32	1.99	-47.31
O=C(C1=CC=NN1C(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596052	0	31	-1.0	-49.22	270.66	0.20	-49.02
O=C(C1=CC=NN1C(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596052	1	31	-1.0	-49.24	270.60	0.18	-49.06
O=C(C1CCCC2CC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596053	0	38	-1.0	-37.20	293.65	3.29	-33.91
O=C(C1CCCC2CC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596053	1	38	-1.0	-37.20	293.71	3.32	-33.88
O=C(C1=CC=C(CF)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596054	0	34	-1.0	-46.31	289.75	3.09	-43.22
O=C(C1=CC=C(CF)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596054	1	34	-1.0	-46.27	289.81	3.11	-43.16
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCOC1	REAL250004596055	0	39	-1.0	-50.31	297.62	-0.32	-50.63
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCOC1	REAL250004596055	1	39	-1.0	-50.27	297.68	-0.30	-50.57
O=C(CCC1CC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596056	0	34	-1.0	-48.83	291.33	2.78	-46.05
O=C(CCC1CC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596056	1	34	-1.0	-48.82	291.39	2.81	-46.01
COCCCOCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596057	0	41	-1.0	-45.79	336.87	0.20	-45.59
COCCCOCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596057	1	41	-1.0	-45.81	336.93	0.22	-45.59
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=C1	REAL250004596058	0	34	-1.0	-49.69	287.54	2.06	-47.63
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=C1	REAL250004596058	1	34	-1.0	-49.73	287.60	2.08	-47.65
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004596059	0	37	-1.0	-47.79	289.94	1.91	-45.88
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004596059	1	37	-1.0	-47.78	289.88	1.89	-45.89
O=C(C1=CN=C2CCCN12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596060	0	35	-1.0	-48.24	286.46	1.71	-46.53
O=C(C1=CN=C2CCCN12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596060	1	35	-1.0	-48.24	286.51	1.73	-46.51
CCCCC(C)(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596061	0	39	-1.0	-42.77	306.21	2.82	-39.95
CCCCC(C)(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596061	1	39	-1.0	-42.77	306.27	2.84	-39.93
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(N)=N1	REAL250004596062	0	34	-1.0	-42.61	285.78	-0.90	-43.51
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(N)=N1	REAL250004596062	1	34	-1.0	-42.64	285.83	-0.87	-43.51
O=C(C1=CC=C(C2CC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596064	0	38	-1.0	-45.42	310.93	4.37	-41.05
O=C(C1=CC=C(C2CC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596064	1	38	-1.0	-45.39	310.99	4.40	-40.99
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004596065	0	41	-1.0	-47.70	317.58	2.86	-44.84
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004596065	1	41	-1.0	-47.70	317.64	2.88	-44.82
CC(CC1=CC=CO1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596066	0	37	-1.0	-45.32	304.62	2.56	-42.76
CC(CC1=CC=CO1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596066	1	37	-1.0	-45.35	304.68	2.58	-42.77
CC1(C)CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596067	0	37	-1.0	-45.84	285.08	2.52	-43.32
CC1(C)CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596067	1	37	-1.0	-45.83	285.14	2.55	-43.28
CC[C@@H]1CCO[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596068	0	38	-1.0	-50.32	292.42	2.31	-48.01
CC[C@@H]1CCO[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596068	1	38	-1.0	-50.28	292.48	2.34	-47.94
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004596069	0	41	-1.0	-45.92	317.27	1.85	-44.07
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004596069	1	41	-1.0	-45.91	317.33	1.88	-44.03
O=C(C1=CN(C2CC2)N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596070	0	34	-1.0	-47.28	289.23	0.71	-46.57
O=C(C1=CN(C2CC2)N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596070	1	34	-1.0	-47.30	289.17	0.68	-46.62
CC(F)(F)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596071	0	34	-1.0	-41.73	281.06	1.97	-39.76
CC(F)(F)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596071	1	34	-1.0	-41.73	281.12	1.99	-39.74
O=C(COCC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596072	0	31	-1.0	-55.96	273.77	0.96	-55.00
O=C(COCC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596072	1	31	-1.0	-55.95	273.82	0.98	-54.97
COC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004596073	0	31	-1.0	-45.24	270.20	-2.46	-47.70
COC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004596073	1	31	-1.0	-45.26	270.15	-2.48	-47.74
CCCC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596074	0	34	-1.0	-37.85	281.26	2.40	-35.45
CCCC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596074	1	34	-1.0	-37.84	281.32	2.43	-35.41
CC1=CCC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596075	0	41	-1.0	-47.13	306.74	3.21	-43.92
CC1=CCC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596075	1	41	-1.0	-47.13	306.79	3.23	-43.90
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596076	0	41	-1.0	-44.46	326.72	2.08	-42.38
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596076	1	41	-1.0	-44.44	326.78	2.10	-42.34
O=C(C1=NC=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596077	0	30	-1.0	-43.64	262.72	1.30	-42.34
O=C(C1=NC=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596077	1	30	-1.0	-43.68	262.66	1.28	-42.40
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596078	0	30	-1.0	-38.75	259.38	-1.99	-40.74
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596078	1	30	-1.0	-38.71	259.44	-1.97	-40.68
CC1=COC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596079	0	31	-1.0	-47.57	263.00	1.07	-46.50
CC1=COC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596079	1	31	-1.0	-47.56	263.06	1.09	-46.47
COCC(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596080	0	35	-1.0	-46.37	285.19	-0.42	-46.79
COCC(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596080	1	35	-1.0	-46.33	285.25	-0.39	-46.72
CN1CCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596081	1	36	-1.0	-44.81	277.82	-0.96	-45.77
CN1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596081	1	36	-1.0	-44.75	277.87	-0.94	-45.69
CN1CCC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596082	1	36	-1.0	-48.17	285.70	-0.34	-48.51
CN1CCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596082	1	36	-1.0	-48.18	285.75	-0.32	-48.50
C[C@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)N(C)C	REAL250004596083	1	35	-1.0	-45.99	268.05	-1.34	-47.33
C[C@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)N(C)C	REAL250004596083	1	35	-1.0	-45.97	268.10	-1.32	-47.29
CCC(C)(C)C(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596084	0	40	-1.0	-44.86	295.53	0.73	-44.13
CCC(C)(C)C(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596084	1	40	-1.0	-44.85	295.59	0.76	-44.09
O=C(C1=CN=C(C2CC2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596085	0	34	-1.0	-43.13	290.97	-0.18	-43.31
O=C(C1=CN=C(C2CC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596085	1	34	-1.0	-43.11	291.03	-0.16	-43.27
CC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)O1	REAL250004596087	0	33	-1.0	-55.32	290.53	-1.94	-57.26
CC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)O1	REAL250004596087	1	33	-1.0	-55.30	290.59	-1.91	-57.21
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004596088	0	37	-1.0	-45.25	305.03	2.78	-42.47
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004596088	1	37	-1.0	-45.26	305.09	2.81	-42.45
CN1CCC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004596089	0	38	-1.0	-47.24	296.18	0.28	-46.96
CN1CCC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004596089	1	38	-1.0	-47.24	296.24	0.31	-46.93
CN1CC(O)CC1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596090	1	40	-1.0	-47.26	303.32	-3.69	-50.95
CN1CC(O)CC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596090	1	40	-1.0	-47.28	303.37	-3.66	-50.94
CCCC(OCC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596091	0	40	-1.0	-48.35	315.56	2.54	-45.81
CCCC(OCC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596091	1	40	-1.0	-48.41	315.61	2.56	-45.85
COC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596092	0	35	-1.0	-49.32	285.46	0.49	-48.83
COC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596092	1	35	-1.0	-49.28	285.52	0.51	-48.77
CCOC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004596093	0	38	-1.0	-48.81	304.43	2.64	-46.17
CCOC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004596093	1	38	-1.0	-48.85	304.49	2.67	-46.18
O=C(C=CC1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596094	0	32	-1.0	-45.91	285.23	2.85	-43.06
O=C(C=CC1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596094	1	32	-1.0	-45.91	285.29	2.87	-43.04
O=C(C1=CN(C2CC2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596095	0	35	-1.0	-48.35	293.13	1.51	-46.84
O=C(C1=CN(C2CC2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596095	1	35	-1.0	-48.35	293.07	1.49	-46.86
O=C([C@@H]1COC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596096	0	30	-1.0	-54.42	257.44	-3.21	-57.63
O=C([C@@H]1COC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596096	1	30	-1.0	-54.45	257.50	-3.19	-57.64
O=C(CC1=CSC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596097	0	30	-1.0	-51.43	269.71	0.46	-50.97
O=C(CC1=CSC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596097	1	30	-1.0	-51.41	269.76	0.48	-50.93
O=C(C1CCCC2(CC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596098	0	41	-1.0	-36.90	318.46	4.03	-32.87
O=C(C1CCCC2(CC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596098	1	41	-1.0	-36.92	318.52	4.04	-32.88
CCCN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596099	0	37	-1.0	-44.05	301.75	1.64	-42.41
CCCN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596099	1	37	-1.0	-44.03	301.70	1.62	-42.41
CC1=CN=CN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596100	0	34	-1.0	-52.83	287.10	2.78	-50.05
CC1=CN=CN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596100	1	34	-1.0	-52.81	287.05	2.76	-50.05
CN1N=CC(Cl)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596101	0	31	-1.0	-42.89	284.63	0.66	-42.23
CN1N=CC(Cl)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596101	1	31	-1.0	-42.84	284.58	0.64	-42.20
CCOC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004596102	0	38	-1.0	-43.31	300.60	1.53	-41.78
CCOC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004596102	1	38	-1.0	-43.30	300.65	1.55	-41.75
CCC(F)(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596103	0	30	-1.0	-39.63	255.53	1.05	-38.58
CCC(F)(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596103	1	30	-1.0	-39.61	255.59	1.08	-38.53
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004596104	0	38	-1.0	-47.53	300.65	2.34	-45.19
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004596104	1	38	-1.0	-47.55	300.71	2.36	-45.19
CCCCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596105	0	45	-1.0	-45.97	332.75	4.06	-41.91
CCCCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596105	1	45	-1.0	-45.97	332.81	4.08	-41.89
CCN1C=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596106	0	34	-1.0	-46.31	285.70	3.31	-43.00
CCN1C=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596106	1	34	-1.0	-46.34	285.64	3.29	-43.05
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596107	0	33	-1.0	-44.71	271.55	0.42	-44.29
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596107	1	33	-1.0	-44.68	271.61	0.44	-44.24
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596108	0	35	-1.0	-37.01	279.58	2.85	-34.16
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596108	1	35	-1.0	-37.03	279.64	2.87	-34.16
O=C(C1CCC2(CC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596109	0	41	-1.0	-36.73	318.59	3.99	-32.74
O=C(C1CCC2(CC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596109	1	41	-1.0	-36.71	318.65	4.01	-32.70
CN1C=C(Cl)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596110	0	31	-1.0	-43.76	279.19	1.18	-42.58
CN1C=C(Cl)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596110	1	31	-1.0	-43.78	279.14	1.16	-42.62
O=C(C1=C(Cl)SC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596111	0	28	-1.0	-47.12	268.22	1.82	-45.30
O=C(C1=C(Cl)SC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596111	1	28	-1.0	-47.14	268.28	1.85	-45.29
CC1=NC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596112	0	32	-1.0	-46.27	275.61	-0.85	-47.12
CC1=NC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596112	1	32	-1.0	-46.30	275.67	-0.83	-47.13
C=C1CC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596113	0	35	-1.0	-45.37	279.74	2.22	-43.15
C=C1CC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596113	1	35	-1.0	-45.32	279.79	2.24	-43.08
O=C(C1CC2(CC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596114	0	35	-1.0	-45.77	284.90	2.93	-42.84
O=C(C1CC2(CC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596114	1	35	-1.0	-45.77	284.95	2.96	-42.81
CN1C=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596115	0	36	-1.0	-50.47	304.41	0.56	-49.91
CN1C=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596115	1	36	-1.0	-50.47	304.46	0.59	-49.88
O=C(C1=CC(Cl)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596116	0	27	-1.0	-39.10	254.60	0.36	-38.74
O=C(C1=CC(Cl)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596116	1	27	-1.0	-39.07	254.55	0.33	-38.74
O=C([C@H]1COC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596117	0	30	-1.0	-54.47	257.63	-3.20	-57.67
O=C([C@H]1COC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596117	1	30	-1.0	-54.50	257.69	-3.18	-57.68
CN1C(=O)NCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596118	0	34	-1.0	-54.20	280.95	-2.10	-56.30
CN1C(=O)NCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596118	1	34	-1.0	-54.23	281.01	-2.07	-56.30
C[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)N(C)C	REAL250004596119	1	35	-1.0	-45.83	269.23	-1.31	-47.14
C[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)N(C)C	REAL250004596119	1	35	-1.0	-45.86	269.28	-1.29	-47.15
CCC(C)(C)C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596120	0	38	-1.0	-39.82	294.90	1.63	-38.19
CCC(C)(C)C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596120	1	38	-1.0	-39.86	294.96	1.66	-38.20
O=C([C@H]1C[C@@H](O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596121	0	32	-1.0	-50.62	264.02	-1.85	-52.47
O=C([C@H]1C[C@@H](O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596121	1	32	-1.0	-50.62	264.08	-1.83	-52.45
CC1CN(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596122	0	40	-1.0	-47.72	307.26	-0.42	-48.14
CC1CN(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596122	1	40	-1.0	-47.78	307.31	-0.41	-48.19
O=C(C=CCN1C=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596124	0	34	-1.0	-45.33	295.46	3.31	-42.02
O=C(C=CCN1C=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596124	1	34	-1.0	-45.30	295.40	3.29	-42.01
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596125	0	35	-1.0	-54.54	294.88	2.19	-52.35
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596125	1	35	-1.0	-54.58	294.93	2.22	-52.36
CC1=CC=NN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596126	0	34	-1.0	-52.13	287.33	1.09	-51.04
CC1=CC=NN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596126	1	34	-1.0	-52.12	287.39	1.11	-51.01
CC(Cl)=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596127	0	28	-1.0	-48.01	250.96	1.37	-46.64
CC(Cl)=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596127	1	28	-1.0	-48.03	251.02	1.40	-46.63
CC1=C(CO)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596128	0	35	-1.0	-42.97	296.54	-1.28	-44.25
CC1=C(CO)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596128	1	35	-1.0	-42.96	296.60	-1.25	-44.21
CN1C=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004596130	0	33	-1.0	-43.62	281.28	1.64	-41.98
CN1C=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004596130	1	33	-1.0	-43.72	281.22	1.62	-42.10
CN1CCOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004596131	0	36	-1.0	-50.98	289.80	-0.42	-51.40
CN1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004596131	1	36	-1.0	-50.94	289.85	-0.40	-51.34
CC1=C(C)NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596133	0	34	-1.0	-44.99	283.39	0.96	-44.03
CC1=C(C)NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596133	1	34	-1.0	-44.97	283.44	0.97	-44.00
CC1=NN=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596134	0	35	-1.0	-48.95	299.69	-3.00	-51.95
CC1=NN=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596134	1	35	-1.0	-48.94	299.75	-2.98	-51.92
O=C(C1=NN=C(C2CC2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596135	0	33	-1.0	-43.89	285.59	-2.04	-45.93
O=C(C1=NN=C(C2CC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596135	1	33	-1.0	-43.86	285.65	-2.01	-45.87
O=C(C1=CC(F)=CNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596136	0	31	-1.0	-47.63	276.56	-0.58	-48.21
O=C(C1=CC(F)=CNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596136	1	31	-1.0	-47.63	276.62	-0.56	-48.19
C#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL250004596137	0	33	-1.0	-45.74	288.96	3.44	-42.30
C#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL250004596137	1	33	-1.0	-45.71	289.02	3.46	-42.25
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOC1	REAL250004596138	0	33	-1.0	-42.30	273.18	-0.72	-43.02
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOC1	REAL250004596138	1	33	-1.0	-42.28	273.23	-0.69	-42.97
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CN=CC=N1	REAL250004596139	0	35	-1.0	-49.29	291.24	-0.13	-49.42
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CN=CC=N1	REAL250004596139	1	35	-1.0	-49.29	291.30	-0.10	-49.39
O=C(C1=C(F)C=NC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596140	0	30	-1.0	-45.64	273.40	0.80	-44.84
O=C(C1=C(F)C=NC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596140	1	30	-1.0	-45.66	273.34	0.77	-44.89
O=C(CCOC1COC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596141	0	36	-1.0	-45.79	299.51	-1.10	-46.89
O=C(CCOC1COC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596141	1	36	-1.0	-45.80	299.56	-1.07	-46.87
O=C(C1=CSC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596142	0	28	-1.0	-47.67	267.41	1.78	-45.89
O=C(C1=CSC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596142	1	28	-1.0	-47.66	267.47	1.81	-45.85
CCC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004596143	0	45	-1.0	-45.27	327.34	3.68	-41.59
CCC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004596143	1	45	-1.0	-45.29	327.40	3.70	-41.59
O=C(C1=CC=C(C(F)F)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596144	0	31	-1.0	-37.72	277.67	1.63	-36.09
O=C(C1=CC=C(C(F)F)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596144	1	31	-1.0	-37.70	277.73	1.66	-36.04
NC(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596145	0	31	-1.0	-46.38	263.89	-2.87	-49.25
NC(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596145	1	31	-1.0	-46.38	263.95	-2.84	-49.22
O=C(C1=CC(=O)NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596146	0	30	-1.0	-43.53	260.54	-0.12	-43.65
O=C(C1=CC(=O)NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596146	1	30	-1.0	-43.51	260.60	-0.10	-43.61
O=C(CN1CCOC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596147	0	33	-1.0	-57.38	281.44	0.05	-57.33
O=C(CN1CCOC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596147	1	33	-1.0	-57.39	281.50	0.07	-57.32
O=C(CCCN1C=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596148	0	36	-1.0	-57.46	304.90	3.52	-53.94
O=C(CCCN1C=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596148	1	36	-1.0	-57.47	304.84	3.49	-53.98
O=C(CN1CCNC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596149	0	37	-1.0	-56.40	298.39	-3.38	-59.78
O=C(CN1CCNC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596149	1	37	-1.0	-56.40	298.45	-3.35	-59.75
CCCC=CC(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596150	0	38	-1.0	-45.01	308.30	1.12	-43.89
CCCC=CC(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596150	1	38	-1.0	-44.99	308.36	1.14	-43.85
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(Cl)=NN1	REAL250004596151	0	31	-1.0	-46.10	284.50	-0.11	-46.21
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(Cl)=NN1	REAL250004596151	1	31	-1.0	-46.11	284.55	-0.08	-46.19
CC1=NC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596152	0	33	-1.0	-52.23	283.63	-1.12	-53.35
CC1=NC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596152	1	33	-1.0	-52.18	283.69	-1.09	-53.27
O=C(CC1=CON=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596153	0	30	-1.0	-50.77	261.23	0.71	-50.06
O=C(CC1=CON=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596153	1	30	-1.0	-50.78	261.17	0.68	-50.10
O=CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004596154	0	30	-1.0	-38.68	276.08	1.11	-37.57
O=CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004596154	1	30	-1.0	-38.67	276.13	1.13	-37.54
O=C(C1=NC=CN=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596156	0	29	-1.0	-41.37	266.02	-0.22	-41.59
O=C(C1=NC=CN=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596156	1	29	-1.0	-41.43	265.96	-0.24	-41.67
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N(C)C1=O	REAL250004596157	0	35	-1.0	-44.41	299.82	1.15	-43.26
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N(C)C1=O	REAL250004596157	1	35	-1.0	-44.37	299.87	1.17	-43.20
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1C	REAL250004596158	0	34	-1.0	-45.87	279.99	1.12	-44.75
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1C	REAL250004596158	1	34	-1.0	-45.88	280.04	1.15	-44.73
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596159	0	32	-1.0	-53.97	271.44	-2.24	-56.21
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596159	1	32	-1.0	-53.94	271.50	-2.21	-56.15
CCOC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596162	0	40	-1.0	-48.56	311.20	2.33	-46.23
CCOC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596162	1	40	-1.0	-48.60	311.26	2.36	-46.24
CC(=O)N[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596163	0	40	-1.0	-43.56	308.33	-0.37	-43.93
CC(=O)N[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596163	1	40	-1.0	-43.55	308.39	-0.35	-43.90
CC(C)[C@H](NC=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596164	0	37	-1.0	-44.13	284.56	-0.87	-45.00
CC(C)[C@H](NC=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596164	1	37	-1.0	-44.11	284.62	-0.85	-44.96
CC(=O)N1CCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596165	0	38	-1.0	-57.13	306.45	0.94	-56.19
CC(=O)N1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596165	1	38	-1.0	-57.11	306.51	0.97	-56.14
CN(C)C(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596166	0	37	-1.0	-45.87	303.18	0.58	-45.29
CN(C)C(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596166	1	37	-1.0	-45.88	303.24	0.60	-45.28
CC1=CC=CC(O)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596167	0	35	-1.0	-46.71	295.94	0.14	-46.57
CC1=CC=CC(O)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596167	1	35	-1.0	-46.72	296.00	0.17	-46.55
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596168	0	35	-1.0	-45.90	298.03	2.85	-43.05
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596168	1	35	-1.0	-45.95	298.09	2.87	-43.08
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596169	0	36	-1.0	-63.97	297.11	-1.66	-65.63
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596169	1	36	-1.0	-63.95	297.17	-1.63	-65.58
O=C(C1=CN(C2CC2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596170	0	35	-1.0	-48.35	293.44	3.79	-44.56
O=C(C1=CN(C2CC2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596170	1	35	-1.0	-48.37	293.38	3.77	-44.60
CCC(NC(C)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596171	0	37	-1.0	-43.69	298.10	-0.78	-44.47
CCC(NC(C)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596171	1	37	-1.0	-43.68	298.16	-0.75	-44.43
O=C([C@H]1CCC(=O)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596172	0	31	-1.0	-56.81	261.25	1.48	-55.33
O=C([C@H]1CCC(=O)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596172	1	31	-1.0	-56.79	261.30	1.50	-55.29
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2(CC2)C1	REAL250004596173	0	36	-1.0	-40.87	300.51	2.67	-38.20
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2(CC2)C1	REAL250004596173	1	36	-1.0	-40.85	300.57	2.70	-38.15
CN1C(=O)OCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596174	0	33	-1.0	-53.70	274.20	-0.63	-54.33
CN1C(=O)OCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596174	1	33	-1.0	-53.70	274.26	-0.61	-54.31
O=C(C1=NC=C2C=CC=CN21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596175	0	34	-1.0	-48.24	285.73	3.62	-44.62
O=C(C1=NC=C2C=CC=CN21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596175	1	34	-1.0	-48.23	285.67	3.59	-44.64
CC(C)C1=NOC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596176	0	36	-1.0	-45.58	300.03	1.79	-43.79
CC(C)C1=NOC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596176	1	36	-1.0	-45.56	300.09	1.82	-43.74
CC1=CC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004596177	0	34	-1.0	-44.81	291.70	2.67	-42.14
CC1=CC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004596177	1	34	-1.0	-44.85	291.76	2.70	-42.15
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC1CCCC2	REAL250004596178	0	38	-1.0	-46.52	291.69	3.05	-43.47
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC1CCCC2	REAL250004596178	1	38	-1.0	-46.49	291.75	3.07	-43.42
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C(F)F)CCC1	REAL250004596179	0	34	-1.0	-45.53	275.46	1.82	-43.71
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C(F)F)CCC1	REAL250004596179	1	34	-1.0	-45.48	275.51	1.84	-43.64
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12CCC[C@H]1OCC2	REAL250004596180	0	39	-1.0	-47.05	294.75	0.97	-46.08
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12CCC[C@H]1OCC2	REAL250004596180	1	39	-1.0	-47.03	294.81	0.99	-46.04
CC1OC(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1C	REAL250004596181	0	41	-1.0	-45.51	315.95	1.69	-43.82
CC1OC(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1C	REAL250004596181	1	41	-1.0	-45.50	316.01	1.71	-43.79
CCOC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596182	0	37	-1.0	-49.38	284.42	1.20	-48.18
CCOC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596182	1	37	-1.0	-49.41	284.47	1.23	-48.18
O=C(C1=COC(C(F)F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596183	0	31	-1.0	-45.10	276.62	1.37	-43.73
O=C(C1=COC(C(F)F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596183	1	31	-1.0	-45.14	276.68	1.40	-43.74
O=C(C1CC(C2CC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596184	0	38	-1.0	-46.63	305.81	3.76	-42.87
O=C(C1CC(C2CC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596184	1	38	-1.0	-46.62	305.87	3.78	-42.84
O=C(CC1=CN=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596185	0	31	-1.0	-52.48	265.56	0.76	-51.72
O=C(CC1=CN=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596185	1	31	-1.0	-52.47	265.62	0.78	-51.69
CC(=C(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004596186	0	35	-1.0	-43.43	293.81	2.88	-40.55
CC(=C(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004596186	1	35	-1.0	-43.43	293.87	2.90	-40.53
O=C([C@@H]1CCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596187	0	32	-1.0	-53.04	266.98	-1.91	-54.95
O=C([C@@H]1CCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596187	1	32	-1.0	-53.05	267.04	-1.89	-54.94
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCOCC1	REAL250004596188	0	35	-1.0	-43.09	278.06	0.13	-42.96
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCOCC1	REAL250004596188	1	35	-1.0	-43.07	278.11	0.15	-42.92
CC1C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1C1CC1	REAL250004596189	0	38	-1.0	-45.06	302.79	3.88	-41.18
CC1C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1C1CC1	REAL250004596189	1	38	-1.0	-45.08	302.84	3.91	-41.17
O=C(C1CCCC12CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596190	0	38	-1.0	-46.11	293.10	3.63	-42.48
O=C(C1CCCC12CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596190	1	38	-1.0	-46.07	293.16	3.66	-42.41
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL250004596191	0	41	-1.0	-48.04	297.94	3.02	-45.02
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL250004596191	1	41	-1.0	-47.98	297.99	3.04	-44.94
CCC(C#N)(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596192	0	37	-1.0	-41.43	290.42	1.48	-39.95
CCC(C#N)(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596192	1	37	-1.0	-41.43	290.48	1.51	-39.92
CC(=O)N1CCC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596193	0	38	-1.0	-57.56	306.53	0.94	-56.62
CC(=O)N1CCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596193	1	38	-1.0	-57.51	306.59	0.97	-56.54
O=C(C1=CC=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596194	0	29	-1.0	-46.94	250.77	-0.07	-47.01
O=C(C1=CC=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596194	1	29	-1.0	-46.96	250.71	-0.10	-47.06
COC1=CC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596195	0	34	-1.0	-46.04	285.71	1.51	-44.53
COC1=CC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596195	1	34	-1.0	-46.06	285.65	1.48	-44.58
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)O1	REAL250004596196	0	38	-1.0	-45.41	299.64	0.95	-44.46
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)O1	REAL250004596196	1	38	-1.0	-45.44	299.70	0.97	-44.47
O=C(C1CC2CC1C1CC12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596197	0	39	-1.0	-45.87	292.14	3.47	-42.40
O=C(C1CC2CC1C1CC12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596197	1	39	-1.0	-45.84	292.20	3.49	-42.35
CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=N1	REAL250004596198	0	37	-1.0	-48.47	305.44	1.46	-47.01
CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=N1	REAL250004596198	1	37	-1.0	-48.47	305.50	1.48	-46.99
N#CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004596199	0	34	-1.0	-52.29	302.07	1.83	-50.46
N#CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004596199	1	34	-1.0	-52.25	302.01	1.80	-50.45
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C(C)(C)C	REAL250004596200	0	45	-1.0	-45.80	319.90	3.15	-42.65
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C(C)(C)C	REAL250004596200	1	45	-1.0	-45.76	319.96	3.18	-42.58
COCC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596201	0	32	-1.0	-38.88	272.03	-0.09	-38.97
COCC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596201	1	32	-1.0	-38.85	272.08	-0.06	-38.91
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCNC1=O	REAL250004596202	0	38	-1.0	-54.96	292.50	-1.58	-56.54
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCNC1=O	REAL250004596202	1	38	-1.0	-54.98	292.56	-1.56	-56.54
CC1=CN=C(F)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596203	0	33	-1.0	-50.10	283.66	1.10	-49.00
CC1=CN=C(F)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596203	1	33	-1.0	-50.12	283.60	1.08	-49.04
CC1=CC(F)=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596204	0	33	-1.0	-42.50	280.87	0.97	-41.53
CC1=CC(F)=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596204	1	33	-1.0	-42.53	280.93	1.00	-41.53
COC1=NSC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596205	0	31	-1.0	-48.59	279.26	-1.79	-50.38
COC1=NSC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596205	1	31	-1.0	-48.63	279.21	-1.81	-50.44
N#CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004596206	0	29	-1.0	-44.73	262.49	0.78	-43.95
N#CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004596206	1	29	-1.0	-44.72	262.55	0.81	-43.91
O=C(C1=CN(C(F)F)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596207	0	31	-1.0	-47.18	276.95	0.17	-47.01
O=C(C1=CN(C(F)F)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596207	1	31	-1.0	-47.17	276.89	0.14	-47.03
CCOCCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596208	0	43	-1.0	-48.81	346.20	2.66	-46.15
CCOCCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596208	1	43	-1.0	-48.78	346.26	2.69	-46.09
NC1=CC=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596209	0	32	-1.0	-47.28	274.65	-1.55	-48.83
NC1=CC=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596209	1	32	-1.0	-47.29	274.60	-1.58	-48.87
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCOC1	REAL250004596210	0	36	-1.0	-42.31	288.65	-0.11	-42.42
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCOC1	REAL250004596210	1	36	-1.0	-42.30	288.70	-0.08	-42.38
CC1=CON=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596211	0	30	-1.0	-44.04	255.91	0.81	-43.23
CC1=CON=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596211	1	30	-1.0	-44.02	255.85	0.78	-43.24
CC1CC1C1CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596212	0	38	-1.0	-46.38	311.24	3.94	-42.44
CC1CC1C1CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596212	1	38	-1.0	-46.36	311.29	3.97	-42.39
N#CCC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596213	0	35	-1.0	-51.62	299.36	3.26	-48.36
N#CCC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596213	1	35	-1.0	-51.60	299.41	3.28	-48.32
CCN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL250004596214	0	37	-1.0	-46.29	304.29	1.34	-44.95
CCN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL250004596214	1	37	-1.0	-46.25	304.34	1.36	-44.89
CC1(C#CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596215	0	33	-1.0	-44.86	286.85	3.00	-41.86
CC1(C#CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596215	1	33	-1.0	-44.89	286.91	3.02	-41.87
CN1CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596216	1	39	-1.0	-45.83	297.97	0.23	-45.60
CN1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596216	1	39	-1.0	-45.81	298.03	0.25	-45.56
O=C(C1CC2(CSC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596217	0	36	-1.0	-46.58	300.63	2.98	-43.60
O=C(C1CC2(CSC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596217	1	36	-1.0	-46.59	300.69	3.00	-43.59
CC(C)C1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NO1	REAL250004596218	0	36	-1.0	-42.52	299.07	1.94	-40.58
CC(C)C1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NO1	REAL250004596218	1	36	-1.0	-42.49	299.13	1.97	-40.52
CC1(CCCC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596219	0	36	-1.0	-52.84	301.37	-2.29	-55.13
CC1(CCCC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596219	1	36	-1.0	-52.83	301.43	-2.26	-55.09
C=CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004596220	0	38	-1.0	-47.00	311.20	4.09	-42.91
C=CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004596220	1	38	-1.0	-46.97	311.26	4.12	-42.85
CN(C)C(=O)C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596221	0	35	-1.0	-45.90	294.37	0.30	-45.60
CN(C)C(=O)C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596221	1	35	-1.0	-45.92	294.43	0.32	-45.60
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596222	0	39	-1.0	-50.79	296.05	2.12	-48.67
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596222	1	39	-1.0	-50.77	296.10	2.15	-48.62
O=C(C1=CNC=C1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596223	0	36	-1.0	-52.01	298.01	2.29	-49.72
O=C(C1=CNC=C1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596223	1	36	-1.0	-51.99	298.06	2.32	-49.67
CNC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004596224	0	35	-1.0	-48.12	290.86	0.16	-47.96
CNC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004596224	1	35	-1.0	-48.10	290.81	0.14	-47.96
CN1CCC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004596225	0	38	-1.0	-59.78	306.62	2.23	-57.55
CN1CCC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004596225	1	38	-1.0	-59.77	306.68	2.25	-57.52
CCC1CCCC1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596226	0	43	-1.0	-45.37	312.08	3.38	-41.99
CCC1CCCC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596226	1	43	-1.0	-45.39	312.14	3.40	-41.99
O=C(CC1=CC=C(F)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596227	0	33	-1.0	-52.48	286.08	1.75	-50.73
O=C(CC1=CC=C(F)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596227	1	33	-1.0	-52.47	286.13	1.78	-50.69
NC1=CC(F)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596228	0	33	-1.0	-42.60	281.72	0.40	-42.20
NC1=CC(F)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596228	1	33	-1.0	-42.57	281.78	0.43	-42.14
O=C(C1=CC=CN2N=CC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596229	0	34	-1.0	-49.30	293.93	2.26	-47.04
O=C(C1=CC=CN2N=CC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596229	1	34	-1.0	-49.29	293.87	2.23	-47.06
O=C(CO)NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596230	0	35	-1.0	-61.80	297.78	-3.49	-65.29
O=C(CO)NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596230	1	35	-1.0	-61.78	297.84	-3.47	-65.25
O=C(CC1CCNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596231	0	35	-1.0	-60.71	284.96	-0.05	-60.76
O=C(CC1CCNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596231	1	35	-1.0	-60.71	285.02	-0.03	-60.74
O=C(C1=CN=C2C=CNC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596232	0	34	-1.0	-48.29	285.73	0.23	-48.06
O=C(C1=CN=C2C=CNC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596232	1	34	-1.0	-48.27	285.79	0.26	-48.01
NC1=NN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004596233	0	31	-1.0	-52.95	281.61	-1.48	-54.43
NC1=NN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004596233	1	31	-1.0	-52.94	281.66	-1.46	-54.40
NC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004596234	0	32	-1.0	-45.61	270.79	-0.79	-46.40
NC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004596234	1	32	-1.0	-45.62	270.84	-0.77	-46.39
CCCC(CC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596235	0	39	-1.0	-46.33	299.16	2.65	-43.68
CCCC(CC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596235	1	39	-1.0	-46.34	299.22	2.68	-43.66
O=C(C1C2(CC2)C12CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596236	0	36	-1.0	-46.47	300.85	3.98	-42.49
O=C(C1C2(CC2)C12CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596236	1	36	-1.0	-46.44	300.91	4.01	-42.43
O=C(C1CCC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596237	0	38	-1.0	-45.93	293.09	3.08	-42.85
O=C(C1CCC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596237	1	38	-1.0	-45.90	293.15	3.11	-42.79
CCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL250004596238	0	38	-1.0	-48.37	308.72	3.34	-45.03
CCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL250004596238	1	38	-1.0	-48.32	308.78	3.36	-44.96
CC1=COC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596239	0	31	-1.0	-39.80	264.48	1.19	-38.61
CC1=COC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596239	1	31	-1.0	-39.80	264.53	1.22	-38.58
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(F)(F)C1	REAL250004596240	0	34	-1.0	-44.18	276.22	1.81	-42.37
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(F)(F)C1	REAL250004596240	1	34	-1.0	-44.15	276.28	1.83	-42.32
CC(C)OC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004596241	0	41	-1.0	-43.52	316.16	2.02	-41.50
CC(C)OC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004596241	1	41	-1.0	-43.50	316.21	2.05	-41.45
C[C@@]1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC(=O)N1	REAL250004596242	0	35	-1.0	-47.81	278.93	-1.08	-48.89
C[C@@]1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC(=O)N1	REAL250004596242	1	35	-1.0	-47.82	278.98	-1.05	-48.87
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596243	0	37	-1.0	-54.83	301.37	2.69	-52.14
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596243	1	37	-1.0	-54.81	301.42	2.72	-52.09
O=C(C=CC1=CSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596244	0	32	-1.0	-46.67	285.05	2.73	-43.94
O=C(C=CC1=CSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596244	1	32	-1.0	-46.72	285.10	2.76	-43.96
CCC1=NN(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596245	0	37	-1.0	-43.83	303.07	1.35	-42.48
CCC1=NN(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596245	1	37	-1.0	-43.84	303.13	1.37	-42.47
NC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596246	0	32	-1.0	-43.41	270.84	-0.78	-44.19
NC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596246	1	32	-1.0	-43.43	270.89	-0.75	-44.18
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596247	0	38	-1.0	-46.76	310.68	4.11	-42.65
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596247	1	38	-1.0	-46.78	310.74	4.14	-42.64
C=CC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596248	0	37	-1.0	-44.57	288.03	2.57	-42.00
C=CC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596248	1	37	-1.0	-44.56	288.08	2.60	-41.96
O=C(COC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596249	0	32	-1.0	-50.46	271.16	1.43	-49.03
O=C(COC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596249	1	32	-1.0	-50.44	271.21	1.45	-48.99
O=C(COC1=CC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596250	0	34	-1.0	-49.23	292.66	0.66	-48.57
O=C(COC1=CC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596250	1	34	-1.0	-49.24	292.60	0.64	-48.60
O=C(C1=CC(=O)C=CN1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596251	0	31	-1.0	-48.39	264.60	-0.23	-48.62
O=C(C1=CC(=O)C=CN1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596251	1	31	-1.0	-48.35	264.66	-0.20	-48.55
O=C(C1=CSN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596252	0	27	-1.0	-44.72	245.18	-0.04	-44.76
O=C(C1=CSN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596252	1	27	-1.0	-44.73	245.13	-0.06	-44.79
CC1=CN(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596253	0	35	-1.0	-50.54	290.74	2.58	-47.96
CC1=CN(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596253	1	35	-1.0	-50.55	290.79	2.61	-47.94
COC1=NC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596254	0	33	-1.0	-44.48	283.05	-1.68	-46.16
COC1=NC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596254	1	33	-1.0	-44.48	283.00	-1.70	-46.18
O=C(C1=CC=C(F)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596255	0	28	-1.0	-41.05	249.37	0.77	-40.28
O=C(C1=CC=C(F)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596255	1	28	-1.0	-41.07	249.43	0.79	-40.28
CC1COC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596256	0	35	-1.0	-49.71	279.67	1.37	-48.34
CC1COC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596256	1	35	-1.0	-49.71	279.72	1.39	-48.32
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596257	0	39	-1.0	-45.88	309.61	1.74	-44.14
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596257	1	39	-1.0	-45.93	309.67	1.76	-44.17
O=C(C1=CC=CC(O)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596258	0	32	-1.0	-42.25	278.70	-0.53	-42.78
O=C(C1=CC=CC(O)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596258	1	32	-1.0	-42.24	278.76	-0.50	-42.74
O=C(C1CCC(Cl)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596259	0	37	-1.0	-45.17	303.65	3.22	-41.95
O=C(C1CCC(Cl)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596259	1	37	-1.0	-45.17	303.70	3.25	-41.92
O=C(C1=CS(=O)CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596260	0	34	-1.0	-54.10	287.72	-0.51	-54.61
O=C(C1=CS(=O)CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596260	1	34	-1.0	-54.13	287.78	-0.48	-54.61
CN1C(=O)CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596261	0	38	-1.0	-51.71	298.96	0.74	-50.97
CN1C(=O)CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596261	1	38	-1.0	-51.71	299.01	0.77	-50.94
CCN1CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596262	0	36	-1.0	-49.19	290.00	-1.02	-50.21
CCN1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596262	1	36	-1.0	-49.18	290.05	-0.99	-50.17
O=C(COC1=NSC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596263	0	31	-1.0	-47.69	282.43	-0.32	-48.01
O=C(COC1=NSC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596263	1	31	-1.0	-47.69	282.38	-0.35	-48.04
CCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004596264	0	33	-1.0	-42.86	280.54	1.72	-41.14
CCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004596264	1	33	-1.0	-42.83	280.60	1.74	-41.09
CC1(C)COC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596265	0	41	-1.0	-50.29	322.74	2.39	-47.90
CC1(C)COC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596265	1	41	-1.0	-50.31	322.79	2.42	-47.89
O=C(CCN1CCC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596266	1	39	-1.0	-48.01	313.29	0.40	-47.61
O=C(C1=CC=NC(CO)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596267	0	34	-1.0	-45.52	286.36	-2.09	-47.61
O=C(C1=CC=NC(CO)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596267	1	34	-1.0	-45.48	286.42	-2.07	-47.55
CC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1O	REAL250004596268	0	34	-1.0	-43.68	287.33	0.13	-43.55
CC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1O	REAL250004596268	1	34	-1.0	-43.62	287.38	0.15	-43.47
O=C(CCCCCO)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596270	0	37	-1.0	-49.92	302.09	-0.73	-50.65
O=C(CCCCCO)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596270	1	37	-1.0	-49.91	302.15	-0.70	-50.61
CCCCC(O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596271	0	43	-1.0	-45.56	343.28	0.94	-44.62
CCCCC(O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596271	1	43	-1.0	-45.58	343.33	0.97	-44.61
C=C1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596272	0	38	-1.0	-45.82	299.65	3.12	-42.70
C=C1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596272	1	38	-1.0	-45.79	299.70	3.15	-42.64
O=C(C1CCC=CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596273	0	41	-1.0	-36.70	304.98	3.51	-33.19
O=C(C1CCC=CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596273	1	41	-1.0	-36.69	305.04	3.53	-33.16
O=C(C1=CC=NN1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596274	0	35	-1.0	-44.89	291.10	1.71	-43.18
O=C(C1=CC=NN1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596274	1	35	-1.0	-44.84	291.05	1.69	-43.15
CC1=CN=C(F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596275	0	33	-1.0	-42.86	283.11	1.09	-41.77
CC1=CN=C(F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596275	1	33	-1.0	-42.83	283.05	1.06	-41.77
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004596276	0	38	-1.0	-50.36	295.91	1.53	-48.83
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004596276	1	38	-1.0	-50.36	295.97	1.56	-48.80
NC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596277	0	31	-1.0	-53.95	272.88	-1.05	-55.00
NC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596277	1	31	-1.0	-53.95	272.82	-1.08	-55.03
O=C(C1=CC=NS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596278	0	27	-1.0	-39.07	244.95	-0.16	-39.23
O=C(C1=CC=NS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596278	1	27	-1.0	-39.03	244.89	-0.18	-39.21
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CC2)CCC1	REAL250004596279	0	38	-1.0	-37.28	288.61	3.48	-33.80
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CC2)CCC1	REAL250004596279	1	38	-1.0	-37.24	288.67	3.50	-33.74
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CC2)CC1	REAL250004596280	0	35	-1.0	-47.05	270.27	2.66	-44.39
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CC2)CC1	REAL250004596280	1	35	-1.0	-47.04	270.33	2.68	-44.36
COC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCSC1	REAL250004596281	0	36	-1.0	-45.60	291.92	0.83	-44.77
COC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCSC1	REAL250004596281	1	36	-1.0	-45.61	291.97	0.85	-44.76
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596282	0	34	-1.0	-53.87	289.16	2.17	-51.70
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596282	1	34	-1.0	-53.88	289.22	2.19	-51.69
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596283	0	39	-1.0	-49.20	301.71	1.48	-47.72
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596283	1	39	-1.0	-49.23	301.77	1.51	-47.72
O=C(CC(F)(F)C(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596284	0	30	-1.0	-54.10	270.37	1.52	-52.58
O=C(CC(F)(F)C(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596284	1	30	-1.0	-54.07	270.43	1.55	-52.52
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596285	0	38	-1.0	-58.13	302.75	-1.37	-59.50
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596285	1	38	-1.0	-58.14	302.81	-1.34	-59.48
C[C@@H]1CC=CC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596286	0	38	-1.0	-45.01	295.26	3.09	-41.92
C[C@@H]1CC=CC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596286	1	38	-1.0	-45.05	295.31	3.12	-41.93
C#CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596287	0	30	-1.0	-50.49	276.48	2.16	-48.33
C#CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596287	1	30	-1.0	-50.53	276.54	2.19	-48.34
O=C(C1=NC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596288	0	29	-1.0	-44.41	253.32	0.18	-44.23
O=C(C1=NC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596288	1	29	-1.0	-44.44	253.26	0.16	-44.28
N#CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CS1	REAL250004596289	0	29	-1.0	-53.15	271.81	1.69	-51.46
N#CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CS1	REAL250004596289	1	29	-1.0	-53.12	271.87	1.71	-51.41
O=C(C1C2CCC(=O)C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596290	0	34	-1.0	-47.24	271.32	1.62	-45.62
O=C(C1C2CCC(=O)C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596290	1	34	-1.0	-47.24	271.37	1.65	-45.59
CC1=NOC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596291	0	35	-1.0	-45.91	285.64	0.46	-45.45
CC1=NOC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596291	1	35	-1.0	-45.91	285.70	0.48	-45.43
CCOC1C(C)C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596292	0	38	-1.0	-50.39	305.11	1.84	-48.55
CCOC1C(C)C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596292	1	38	-1.0	-50.42	305.17	1.86	-48.56
O=C(CCN1C=NN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596293	0	32	-1.0	-48.87	277.17	0.47	-48.40
O=C(CCN1C=NN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596293	1	32	-1.0	-48.90	277.12	0.44	-48.46
NC1=CC=NN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596294	0	33	-1.0	-52.18	281.65	-0.56	-52.74
NC1=CC=NN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596294	1	33	-1.0	-52.21	281.59	-0.59	-52.80
O=C(CC1(O)CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596295	0	39	-1.0	-49.94	304.56	-0.91	-50.85
O=C(CC1(O)CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596295	1	39	-1.0	-49.95	304.62	-0.88	-50.83
O=C(C1=CC=C2NC=CC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596296	0	34	-1.0	-49.94	287.19	1.33	-48.61
O=C(C1=CC=C2NC=CC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596296	1	34	-1.0	-49.88	287.25	1.36	-48.52
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1CCC2	REAL250004596297	0	35	-1.0	-37.70	280.89	2.67	-35.03
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1CCC2	REAL250004596297	1	35	-1.0	-37.71	280.95	2.69	-35.02
CN1C=NC(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596298	0	35	-1.0	-50.45	299.49	3.20	-47.25
CN1C=NC(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596298	1	35	-1.0	-50.44	299.54	3.23	-47.21
O=C(CC1CC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596299	0	38	-1.0	-47.16	298.27	3.48	-43.68
O=C(CC1CC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596299	1	38	-1.0	-47.09	298.32	3.51	-43.58
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C=O	REAL250004596301	0	33	-1.0	-46.71	284.57	0.25	-46.46
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C=O	REAL250004596301	1	33	-1.0	-46.76	284.51	0.23	-46.53
O=C(C1CCC2(CC1)N=N2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596302	0	37	-1.0	-48.15	300.20	-2.73	-50.88
O=C(C1CCC2(CC1)N=N2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596302	1	37	-1.0	-48.12	300.25	-2.70	-50.82
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596303	0	41	-1.0	-45.78	311.70	3.87	-41.91
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596303	1	41	-1.0	-45.76	311.76	3.90	-41.86
C=C(CC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596304	0	37	-1.0	-45.34	297.51	2.69	-42.65
C=C(CC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596304	1	37	-1.0	-45.31	297.57	2.71	-42.60
O=CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004596305	0	32	-1.0	-49.09	279.23	1.11	-47.98
O=CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004596305	1	32	-1.0	-49.08	279.17	1.08	-48.00
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C=O	REAL250004596306	0	34	-1.0	-50.95	289.58	1.41	-49.54
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C=O	REAL250004596306	1	34	-1.0	-50.93	289.64	1.43	-49.50
O=CC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596307	0	32	-1.0	-49.14	279.04	0.20	-48.94
O=CC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596307	1	32	-1.0	-49.14	278.98	0.18	-48.96
CC(C)N1C=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596308	0	37	-1.0	-45.77	300.49	3.07	-42.70
CC(C)N1C=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596308	1	37	-1.0	-45.80	300.43	3.06	-42.74
CC1=CC=C(C#N)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596309	0	35	-1.0	-46.62	302.23	3.27	-43.35
CC1=CC=C(C#N)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596309	1	35	-1.0	-46.62	302.29	3.29	-43.33
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CCC1	REAL250004596310	0	35	-1.0	-45.61	271.53	2.09	-43.52
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CCC1	REAL250004596310	1	35	-1.0	-45.63	271.59	2.11	-43.52
CCCCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596311	0	40	-1.0	-46.98	319.57	3.61	-43.37
CCCCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596311	1	40	-1.0	-46.99	319.63	3.64	-43.35
CCC[C@H](O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596312	0	34	-1.0	-37.10	275.38	-0.50	-37.60
CCC[C@H](O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596312	1	34	-1.0	-37.10	275.44	-0.48	-37.58
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)CO	REAL250004596313	0	28	-1.0	-43.00	246.07	-2.39	-45.39
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)CO	REAL250004596313	1	28	-1.0	-43.01	246.13	-2.36	-45.37
CC1=NNC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596314	0	37	-1.0	-47.13	309.45	1.03	-46.10
CC1=NNC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596314	1	37	-1.0	-47.10	309.50	1.05	-46.05
O=C(C1=CC=C(CO)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596315	0	34	-1.0	-45.64	285.25	-2.23	-47.87
O=C(C1=CC=C(CO)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596315	1	34	-1.0	-45.59	285.31	-2.20	-47.79
CC(C)[C@H](NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596316	0	39	-1.0	-44.09	307.44	-2.93	-47.02
CC(C)[C@H](NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596316	1	39	-1.0	-44.07	307.49	-2.90	-46.97
C=C(CCC(=O)OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596317	0	37	-1.0	-43.72	304.96	1.76	-41.96
C=C(CCC(=O)OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596317	1	37	-1.0	-43.78	305.01	1.79	-41.99
CCOC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596319	0	32	-1.0	-45.19	271.72	0.49	-44.70
CCOC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596319	1	32	-1.0	-45.19	271.78	0.51	-44.68
CN1C=CN=C1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596320	0	37	-1.0	-49.14	308.14	2.42	-46.72
CN1C=CN=C1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596320	1	37	-1.0	-49.14	308.19	2.45	-46.69
O=C(C1=CN(CCO)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596321	0	35	-1.0	-47.01	296.35	-2.51	-49.52
O=C(C1=CN(CCO)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596321	1	35	-1.0	-47.06	296.29	-2.54	-49.60
CC1=COC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596322	0	30	-1.0	-41.41	259.54	-2.25	-43.66
CC1=COC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596322	1	30	-1.0	-41.40	259.59	-2.22	-43.62
CCC(C)(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596323	0	34	-1.0	-43.36	267.97	-1.56	-44.92
CCC(C)(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596323	1	34	-1.0	-43.36	268.03	-1.54	-44.90
CC(C)(C)CC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596324	0	45	-1.0	-46.02	313.41	2.80	-43.22
CC(C)(C)CC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596324	1	45	-1.0	-46.00	313.47	2.82	-43.18
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C=O)O1	REAL250004596325	0	33	-1.0	-45.34	286.46	0.93	-44.41
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C=O)O1	REAL250004596325	1	33	-1.0	-45.34	286.52	0.95	-44.39
O=C(C1=CC2=CNC=CC2=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596326	0	34	-1.0	-64.20	288.03	1.37	-62.83
O=C(C1=CC2=CNC=CC2=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596326	1	34	-1.0	-64.18	288.09	1.39	-62.79
C=CC(CC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596327	0	37	-1.0	-46.00	297.46	2.87	-43.13
C=CC(CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596327	1	37	-1.0	-45.97	297.52	2.89	-43.08
O=C(C1=CC2=CC=CN2C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596328	0	34	-1.0	-50.43	287.84	4.62	-45.81
O=C(C1=CC2=CC=CN2C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596328	1	34	-1.0	-50.39	287.79	4.61	-45.78
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596329	0	37	-1.0	-45.77	313.45	2.68	-43.09
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596329	1	37	-1.0	-45.77	313.51	2.69	-43.08
CC1=CC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004596330	0	36	-1.0	-46.90	304.49	2.19	-44.71
CC1=CC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004596330	1	36	-1.0	-46.90	304.55	2.21	-44.69
CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596332	0	33	-1.0	-47.98	280.97	0.05	-47.93
CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596332	1	33	-1.0	-47.99	280.91	0.02	-47.97
CC[C@@H]1OCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596333	0	38	-1.0	-45.70	300.06	1.02	-44.68
CC[C@@H]1OCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596333	1	38	-1.0	-45.68	300.12	1.04	-44.64
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC=N1	REAL250004596334	0	33	-1.0	-39.41	282.98	-0.37	-39.78
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC=N1	REAL250004596334	1	33	-1.0	-39.33	282.92	-0.40	-39.73
O=C([C@@H]1CSCC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596335	0	33	-1.0	-47.89	283.12	-1.22	-49.11
O=C([C@@H]1CSCC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596335	1	33	-1.0	-47.91	283.18	-1.20	-49.11
CC(C)(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(F)F	REAL250004596337	0	36	-1.0	-46.16	289.35	2.35	-43.81
CC(C)(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(F)F	REAL250004596337	1	36	-1.0	-46.18	289.40	2.37	-43.81
CN1C(=O)CC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596338	0	35	-1.0	-53.57	289.14	0.53	-53.04
CN1C(=O)CC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596338	1	35	-1.0	-53.61	289.20	0.55	-53.06
O=C(C1CCCCC1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596339	0	37	-1.0	-38.23	290.19	2.74	-35.49
O=C(C1CCCCC1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596339	1	37	-1.0	-38.26	290.25	2.76	-35.50
CC1(C)C(C)(C)C1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596340	0	43	-1.0	-37.49	311.92	3.03	-34.46
CC1(C)C(C)(C)C1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596340	1	43	-1.0	-37.53	311.97	3.06	-34.47
CC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=C1	REAL250004596341	0	36	-1.0	-47.49	302.18	1.71	-45.78
CC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=C1	REAL250004596341	1	36	-1.0	-47.49	302.12	1.68	-45.81
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004596342	0	35	-1.0	-46.18	270.60	2.10	-44.08
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004596342	1	35	-1.0	-46.15	270.65	2.13	-44.02
CC(C)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)COC1	REAL250004596343	0	38	-1.0	-48.83	284.76	0.07	-48.76
CC(C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)COC1	REAL250004596343	1	38	-1.0	-48.83	284.81	0.09	-48.74
CC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL250004596344	0	36	-1.0	-42.99	295.13	2.56	-40.43
CC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL250004596344	1	36	-1.0	-42.99	295.19	2.59	-40.40
O=C(C1CCC2=CNN=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596345	0	35	-1.0	-48.33	282.66	0.65	-47.68
O=C(C1CCC2=CNN=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596345	1	35	-1.0	-48.33	282.71	0.68	-47.65
O=C(CC1CCCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596346	0	41	-1.0	-45.89	310.54	1.78	-44.11
O=C(CC1CCCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596346	1	41	-1.0	-45.88	310.60	1.81	-44.07
C=CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004596347	0	35	-1.0	-46.16	298.69	1.44	-44.72
C=CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004596347	1	35	-1.0	-46.13	298.64	1.42	-44.71
CC1CCC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596348	0	43	-1.0	-47.17	311.41	3.24	-43.93
CC1CCC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596348	1	43	-1.0	-47.17	311.47	3.25	-43.92
CC(C)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)COC1	REAL250004596349	0	41	-1.0	-49.07	311.42	0.79	-48.28
CC(C)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)COC1	REAL250004596349	1	41	-1.0	-49.10	311.48	0.81	-48.29
CN1C=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596350	0	33	-1.0	-60.11	282.27	-0.17	-60.28
CN1C=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596350	1	33	-1.0	-60.10	282.33	-0.15	-60.25
CC1=NOC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596351	0	36	-1.0	-47.31	304.51	2.24	-45.07
CC1=NOC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596351	1	36	-1.0	-47.35	304.57	2.26	-45.09
CC1(C)C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1(C)C	REAL250004596352	0	43	-1.0	-46.79	329.08	3.92	-42.87
CC1(C)C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1(C)C	REAL250004596352	1	43	-1.0	-46.77	329.14	3.94	-42.83
NC1=CC=C(F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596353	0	33	-1.0	-43.46	281.56	0.43	-43.03
NC1=CC=C(F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596353	1	33	-1.0	-43.47	281.62	0.45	-43.02
O=C(CC1=CN=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596354	0	32	-1.0	-50.80	275.88	1.30	-49.50
O=C(CC1=CN=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596354	1	32	-1.0	-50.80	275.82	1.28	-49.52
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN=N1	REAL250004596355	0	32	-1.0	-43.35	272.08	-0.07	-43.42
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN=N1	REAL250004596355	1	32	-1.0	-43.33	272.14	-0.05	-43.38
CC[C@H](C)[C@H](O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596356	0	37	-1.0	-44.86	281.17	0.08	-44.78
CC[C@H](C)[C@H](O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596356	1	37	-1.0	-44.86	281.22	0.11	-44.75
CC(C)CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596357	0	45	-1.0	-45.85	329.14	3.76	-42.09
CC(C)CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596357	1	45	-1.0	-45.85	329.20	3.79	-42.06
O=C(C1=CC=C(F)C(O)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596358	0	32	-1.0	-46.37	279.06	-0.49	-46.86
O=C(C1=CC=C(F)C(O)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596358	1	32	-1.0	-46.38	279.12	-0.48	-46.86
C[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004596362	0	32	-1.0	-52.63	273.32	-0.01	-52.64
C[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004596362	1	32	-1.0	-52.63	273.27	-0.03	-52.66
CNC(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596363	0	34	-1.0	-46.42	285.82	-1.38	-47.80
CNC(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596363	1	34	-1.0	-46.38	285.88	-1.36	-47.74
C=C(F)C1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004596364	0	38	-1.0	-48.29	302.51	3.13	-45.16
C=C(F)C1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004596364	1	38	-1.0	-48.31	302.57	3.16	-45.15
O=C(CC(O)C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596365	0	41	-1.0	-49.77	317.13	1.51	-48.26
O=C(CC(O)C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596365	1	41	-1.0	-49.75	317.19	1.54	-48.21
CC1(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004596366	0	41	-1.0	-49.13	319.81	3.08	-46.05
CC1(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004596366	1	41	-1.0	-49.12	319.87	3.11	-46.01
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1F	REAL250004596367	0	33	-1.0	-46.42	282.49	1.95	-44.47
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1F	REAL250004596367	1	33	-1.0	-46.38	282.43	1.92	-44.46
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596368	0	36	-1.0	-44.86	287.38	1.12	-43.74
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596368	1	36	-1.0	-44.88	287.44	1.14	-43.74
CC1(C)CC1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596369	0	40	-1.0	-46.33	319.31	3.77	-42.56
CC1(C)CC1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596369	1	40	-1.0	-46.31	319.36	3.80	-42.51
CC1(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL250004596370	0	41	-1.0	-37.16	312.67	1.48	-35.68
CC1(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL250004596370	1	41	-1.0	-37.13	312.73	1.50	-35.63
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596371	0	41	-1.0	-46.57	312.96	3.97	-42.60
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596371	1	41	-1.0	-46.56	313.02	3.99	-42.57
COC1CCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596372	0	38	-1.0	-45.01	301.65	1.13	-43.88
COC1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596372	1	38	-1.0	-45.02	301.70	1.16	-43.86
O=C(C1CC2CCCC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596373	0	38	-1.0	-46.28	294.94	3.26	-43.02
O=C(C1CC2CCCC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596373	1	38	-1.0	-46.26	295.00	3.29	-42.97
COC(=O)[C@H]1C[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596374	0	37	-1.0	-54.23	306.86	2.18	-52.05
COC(=O)[C@H]1C[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596374	1	37	-1.0	-54.22	306.91	2.21	-52.01
CCC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL250004596375	0	33	-1.0	-45.84	289.35	1.58	-44.26
CCC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL250004596375	1	33	-1.0	-45.81	289.41	1.60	-44.21
O=C(C1=NNC=C1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596376	0	35	-1.0	-44.07	289.92	1.43	-42.64
O=C(C1=NNC=C1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596376	1	35	-1.0	-44.06	289.98	1.46	-42.60
O=C(C1CCC2CC2CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596377	0	41	-1.0	-36.62	310.55	3.83	-32.79
O=C(C1CCC2CC2CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596377	1	41	-1.0	-36.65	310.61	3.85	-32.80
O=C(CC1CCC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596378	0	41	-1.0	-46.15	312.30	3.96	-42.19
O=C(CC1CCC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596378	1	41	-1.0	-46.14	312.36	3.98	-42.16
O=C(C1=CCCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596379	0	36	-1.0	-38.77	278.19	0.56	-38.21
O=C(C1=CCCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596379	1	36	-1.0	-38.75	278.25	0.58	-38.17
CC1(C)CCC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596380	0	41	-1.0	-45.53	317.76	3.56	-41.97
CC1(C)CCC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596380	1	41	-1.0	-45.57	317.82	3.58	-41.99
O=C(C=CC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596381	0	34	-1.0	-41.81	289.89	2.01	-39.80
O=C(C=CC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596381	1	34	-1.0	-41.82	289.94	2.03	-39.79
O=C(C1=CC=C(C2CC2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596382	0	35	-1.0	-43.81	296.34	3.05	-40.76
O=C(C1=CC=C(C2CC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596382	1	35	-1.0	-43.81	296.39	3.08	-40.73
CC1(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596383	0	37	-1.0	-46.25	295.67	2.99	-43.26
CC1(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596383	1	37	-1.0	-46.24	295.73	3.02	-43.22
O=CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004596384	0	30	-1.0	-49.10	266.28	0.77	-48.33
O=CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004596384	1	30	-1.0	-49.09	266.34	0.80	-48.29
NC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596385	0	29	-1.0	-39.25	252.60	-4.62	-43.87
NC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596385	1	29	-1.0	-39.29	252.55	-4.64	-43.93
O=C(C1CCC1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596386	0	31	-1.0	-51.15	256.99	1.66	-49.49
O=C(C1CCC1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596386	1	31	-1.0	-51.14	257.05	1.69	-49.45
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596387	0	39	-1.0	-46.19	300.82	3.85	-42.34
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596387	1	39	-1.0	-46.20	300.87	3.88	-42.32
CC1CC2CC2CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596388	0	41	-1.0	-44.78	312.02	3.86	-40.92
CC1CC2CC2CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596388	1	41	-1.0	-44.81	312.07	3.88	-40.93
CN1C=CC(=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596389	0	34	-1.0	-58.37	284.33	1.58	-56.79
CN1C=CC(=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596389	1	34	-1.0	-58.35	284.39	1.60	-56.75
CCC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004596390	0	34	-1.0	-48.33	284.89	1.17	-47.16
CCC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004596390	1	34	-1.0	-48.29	284.95	1.19	-47.10
O=C(C=CC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596391	0	35	-1.0	-39.22	294.98	3.77	-35.45
O=C(C=CC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596391	1	35	-1.0	-39.20	295.04	3.79	-35.41
O=C(C1=CC=CC(F)=C1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596392	1	32	-1.0	-40.23	278.46	-0.13	-40.36
O=C(C1=CC=CC(F)=C1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596392	1	32	-1.0	-40.21	278.52	-0.10	-40.31
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596393	0	41	-1.0	-46.08	305.86	3.84	-42.24
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596393	1	41	-1.0	-46.13	305.92	3.87	-42.26
O=C(C1=CC=C(CO)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596394	0	34	-1.0	-44.49	288.57	-1.33	-45.82
O=C(C1=CC=C(CO)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596394	1	34	-1.0	-44.48	288.52	-1.36	-45.84
CC1=NOC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596395	0	33	-1.0	-51.20	283.00	1.26	-49.94
CC1=NOC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596395	1	33	-1.0	-51.19	283.06	1.28	-49.91
CCN1C(=O)NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596396	0	35	-1.0	-46.49	299.47	0.05	-46.44
CCN1C(=O)NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596396	1	35	-1.0	-46.47	299.52	0.07	-46.40
CNC1=NC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596397	0	35	-1.0	-45.19	292.21	0.68	-44.51
CNC1=NC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596397	1	35	-1.0	-45.13	292.27	0.70	-44.43
COC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596398	0	35	-1.0	-49.33	287.39	0.59	-48.74
COC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596398	1	35	-1.0	-49.30	287.44	0.60	-48.70
O=C(CC1CCC2CC2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596399	0	41	-1.0	-46.46	313.66	4.17	-42.29
O=C(CC1CCC2CC2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596399	1	41	-1.0	-46.43	313.72	4.19	-42.24
CC1=NSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596400	0	30	-1.0	-39.34	266.71	0.45	-38.89
CC1=NSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596400	1	30	-1.0	-39.34	266.76	0.46	-38.88
C=C(CCC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596401	0	34	-1.0	-38.81	270.99	1.72	-37.09
C=C(CCC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596401	1	34	-1.0	-38.79	271.05	1.75	-37.04
C#CC1(O)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596402	0	34	-1.0	-47.56	290.49	-0.74	-48.30
C#CC1(O)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596402	1	34	-1.0	-47.58	290.54	-0.72	-48.30
O=C(C1=C2C=CC=CN2C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596403	0	34	-1.0	-54.15	286.94	4.48	-49.67
O=C(C1=C2C=CC=CN2C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596403	1	34	-1.0	-54.18	286.88	4.46	-49.72
CCOCCOCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596405	0	41	-1.0	-46.46	337.18	0.55	-45.91
CCOCCOCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596405	1	41	-1.0	-46.44	337.24	0.58	-45.86
O=C([C@@H]1C[C@H]1CF)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596406	0	31	-1.0	-48.94	264.17	1.84	-47.10
O=C([C@@H]1C[C@H]1CF)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596406	1	31	-1.0	-48.92	264.22	1.87	-47.05
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596407	0	39	-1.0	-47.94	313.93	1.99	-45.95
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596407	1	39	-1.0	-47.97	313.99	2.01	-45.96
CC(C)(CF)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596408	0	33	-1.0	-43.19	261.32	1.06	-42.13
CC(C)(CF)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596408	1	33	-1.0	-43.17	261.38	1.08	-42.09
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCNC(=O)C1	REAL250004596409	0	38	-1.0	-51.58	288.45	-1.28	-52.86
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCNC(=O)C1	REAL250004596409	1	38	-1.0	-51.62	288.51	-1.27	-52.89
CC1=CSC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596410	0	34	-1.0	-47.36	298.05	3.05	-44.31
CC1=CSC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596410	1	34	-1.0	-47.40	298.11	3.07	-44.33
O=C(C#CC1CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596411	0	37	-1.0	-44.43	308.80	1.85	-42.58
O=C(C#CC1CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596411	1	37	-1.0	-44.43	308.86	1.87	-42.56
O=C(C1CC=CCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596413	0	33	-1.0	-48.28	268.50	1.36	-46.92
O=C(C1CC=CCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596413	1	33	-1.0	-48.25	268.55	1.38	-46.87
O=C(CC1CC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596414	0	34	-1.0	-46.65	280.64	2.45	-44.20
O=C(CC1CC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596414	1	34	-1.0	-46.62	280.70	2.47	-44.15
O=C(C1CC2(CC2(F)F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596415	0	35	-1.0	-46.12	297.75	3.06	-43.06
O=C(C1CC2(CC2(F)F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596415	1	35	-1.0	-46.10	297.81	3.08	-43.02
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC(C=O)=C1	REAL250004596416	0	34	-1.0	-48.74	296.72	0.38	-48.36
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC(C=O)=C1	REAL250004596416	1	34	-1.0	-48.73	296.77	0.41	-48.32
O=C(C1CCS1(=O)=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596417	0	31	-1.0	-46.06	270.01	-1.44	-47.50
O=C(C1CCS1(=O)=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596417	1	31	-1.0	-46.01	270.07	-1.42	-47.43
O=C(CC(O)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596418	0	35	-1.0	-50.12	289.17	0.16	-49.96
O=C(CC(O)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596418	1	35	-1.0	-50.11	289.23	0.19	-49.92
CC1=NSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1N	REAL250004596419	0	32	-1.0	-41.06	279.25	-1.44	-42.50
CC1=NSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1N	REAL250004596419	1	32	-1.0	-41.03	279.30	-1.41	-42.44
O=C(C1=CC=CC=C1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596420	0	38	-1.0	-46.93	309.42	4.29	-42.64
O=C(C1=CC=CC=C1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596420	1	38	-1.0	-46.90	309.48	4.31	-42.59
O=C(C=CC1=NC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596421	0	31	-1.0	-45.08	282.61	1.09	-43.99
O=C(C=CC1=NC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596421	1	31	-1.0	-45.10	282.67	1.12	-43.98
COC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CS1	REAL250004596422	0	32	-1.0	-50.39	282.76	0.81	-49.58
COC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CS1	REAL250004596422	1	32	-1.0	-50.38	282.82	0.84	-49.54
O=C(C1C(F)(F)C12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596423	0	35	-1.0	-45.34	294.43	3.13	-42.21
O=C(C1C(F)(F)C12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596423	1	35	-1.0	-45.31	294.48	3.15	-42.16
C=C(C)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596424	0	37	-1.0	-46.93	303.63	3.08	-43.85
C=C(C)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596424	1	37	-1.0	-46.90	303.68	3.10	-43.80
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004596425	0	33	-1.0	-40.44	274.80	1.73	-38.71
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004596425	1	33	-1.0	-40.46	274.86	1.75	-38.71
CCCC(C(=O)OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596426	0	39	-1.0	-50.04	320.55	2.31	-47.73
CCCC(C(=O)OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596426	1	39	-1.0	-50.03	320.61	2.33	-47.70
O=C(CCC[N+](=O)[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004596427	0	32	-1.0	-53.59	276.77	1.46	-52.13
O=C(CCC[N+](=O)[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004596427	1	32	-1.0	-53.57	276.83	1.48	-52.09
CC1(C)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596428	0	35	-1.0	-46.54	283.72	2.51	-44.03
CC1(C)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596428	1	35	-1.0	-46.54	283.78	2.54	-44.00
O=C(C#CC1CCCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596429	0	39	-1.0	-44.00	317.83	4.21	-39.79
O=C(C#CC1CCCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596429	1	39	-1.0	-43.97	317.89	4.24	-39.73
O=C(C1=NNC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596430	0	28	-1.0	-48.73	256.63	-0.16	-48.89
O=C(C1=NNC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596430	1	28	-1.0	-48.72	256.69	-0.14	-48.86
O=C(C(O)C1(O)CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596431	0	36	-1.0	-45.08	285.31	-3.49	-48.57
O=C(C(O)C1(O)CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596431	1	36	-1.0	-45.07	285.36	-3.46	-48.53
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CO)CCCO1	REAL250004596432	0	36	-1.0	-42.58	281.02	-2.21	-44.79
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CO)CCCO1	REAL250004596432	1	36	-1.0	-42.62	281.08	-2.19	-44.81
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CO)CCC1	REAL250004596434	0	35	-1.0	-51.28	276.61	-1.65	-52.93
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CO)CCC1	REAL250004596434	1	35	-1.0	-51.29	276.67	-1.63	-52.92
CC(O)C(F)(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596435	0	31	-1.0	-42.10	265.07	-1.31	-43.41
CC(O)C(F)(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596435	1	31	-1.0	-42.10	265.12	-1.29	-43.39
CC(CN1C=CN=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596436	0	37	-1.0	-40.11	301.54	3.12	-36.99
CC(CN1C=CN=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596436	1	37	-1.0	-40.16	301.60	3.15	-37.01
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004596437	0	41	-1.0	-50.75	304.61	1.78	-48.97
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004596437	1	41	-1.0	-50.74	304.67	1.80	-48.94
C=C(C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596438	0	34	-1.0	-45.53	282.17	2.30	-43.23
C=C(C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596438	1	34	-1.0	-45.49	282.22	2.32	-43.17
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596439	0	39	-1.0	-46.28	292.72	2.35	-43.93
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596439	1	39	-1.0	-46.26	292.78	2.38	-43.88
O=C(C1=CC=CC2=CC=NN21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596440	0	34	-1.0	-52.85	293.53	2.03	-50.82
O=C(C1=CC=CC2=CC=NN21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596440	1	34	-1.0	-52.89	293.48	2.01	-50.88
O=C(C1=COC2=C1COC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596441	0	33	-1.0	-48.08	279.39	-0.17	-48.25
O=C(C1=COC2=C1COC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596441	1	33	-1.0	-48.10	279.45	-0.14	-48.24
C=CCC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596442	0	38	-1.0	-45.89	313.49	4.18	-41.71
C=CCC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596442	1	38	-1.0	-45.89	313.54	4.20	-41.69
N#CC1=CN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004596443	0	32	-1.0	-56.49	287.73	1.14	-55.35
N#CC1=CN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004596443	1	32	-1.0	-56.50	287.67	1.11	-55.39
O=C(CCC1=CON=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596444	0	33	-1.0	-47.67	282.62	1.49	-46.18
O=C(CCC1=CON=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596444	1	33	-1.0	-47.68	282.57	1.47	-46.21
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C	REAL250004596445	0	34	-1.0	-44.69	283.29	1.10	-43.59
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C	REAL250004596445	1	34	-1.0	-44.67	283.35	1.12	-43.55
O=C(C1C2CCOCC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596446	0	36	-1.0	-45.27	289.35	1.17	-44.10
O=C(C1C2CCOCC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596446	1	36	-1.0	-45.22	289.40	1.19	-44.03
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)CC1CC1	REAL250004596447	0	34	-1.0	-39.45	287.54	2.62	-36.83
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)CC1CC1	REAL250004596447	1	34	-1.0	-39.47	287.59	2.65	-36.82
O=C(C#CC1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596448	0	34	-1.0	-46.50	290.98	1.22	-45.28
O=C(C#CC1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596448	1	34	-1.0	-46.52	291.04	1.24	-45.28
COC1=NOC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596449	0	34	-1.0	-52.57	294.15	-1.12	-53.69
COC1=NOC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596449	1	34	-1.0	-52.53	294.20	-1.09	-53.62
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C)O1	REAL250004596450	0	37	-1.0	-44.95	305.52	2.75	-42.20
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C)O1	REAL250004596450	1	37	-1.0	-44.96	305.58	2.77	-42.19
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O=C(C1=CC=C(Cl)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596451	1	29	-1.0	-42.88	262.46	1.00	-41.88
CC1=C(C)NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596452	0	35	-1.0	-46.77	286.77	1.75	-45.02
CC1=C(C)NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596452	1	35	-1.0	-46.74	286.83	1.77	-44.97
CCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004596453	0	37	-1.0	-44.70	307.13	2.76	-41.94
CCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004596453	1	37	-1.0	-44.70	307.18	2.78	-41.92
CC1OCCC1(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596454	0	35	-1.0	-42.86	273.86	0.18	-42.68
CC1OCCC1(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596454	1	35	-1.0	-42.84	273.92	0.21	-42.63
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)COC1	REAL250004596455	0	30	-1.0	-36.86	248.83	-3.69	-40.55
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)COC1	REAL250004596455	1	30	-1.0	-36.86	248.88	-3.67	-40.53
CCC(C)(C)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596456	0	45	-1.0	-46.32	338.63	4.02	-42.30
CCC(C)(C)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596456	1	45	-1.0	-46.33	338.68	4.05	-42.28
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=N1	REAL250004596457	0	33	-1.0	-39.42	276.78	-1.39	-40.81
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=N1	REAL250004596457	1	33	-1.0	-39.40	276.84	-1.37	-40.77
O=C(C1=CCCS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596458	0	30	-1.0	-42.22	260.81	1.49	-40.73
O=C(C1=CCCS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596458	1	30	-1.0	-42.24	260.87	1.52	-40.72
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596459	0	37	-1.0	-45.22	293.12	2.82	-42.40
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596459	1	37	-1.0	-45.23	293.17	2.84	-42.39
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CS1	REAL250004596460	0	30	-1.0	-46.52	263.15	0.96	-45.56
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CS1	REAL250004596460	1	30	-1.0	-46.51	263.09	0.94	-45.57
CC1(C)CC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596461	0	40	-1.0	-46.37	301.75	2.68	-43.69
CC1(C)CC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596461	1	40	-1.0	-46.31	301.81	2.71	-43.60
CSC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596462	0	37	-1.0	-44.87	298.06	2.29	-42.58
CSC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596462	1	37	-1.0	-44.89	298.12	2.32	-42.57
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O=C(C1CC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596463	1	31	-1.0	-44.43	259.20	1.66	-42.77
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL250004596464	0	36	-1.0	-44.56	298.79	1.69	-42.87
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL250004596464	1	36	-1.0	-44.56	298.85	1.72	-42.84
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O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(CC1=O)C2	REAL250004596465	1	37	-1.0	-44.95	286.32	1.92	-43.03
O=C(CC1(O)CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596466	0	39	-1.0	-47.79	302.33	-0.55	-48.34
O=C(CC1(O)CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596466	1	39	-1.0	-47.81	302.39	-0.52	-48.33
N#CC1=CNN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596467	0	29	-1.0	-46.27	261.52	-0.24	-46.51
N#CC1=CNN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596467	1	29	-1.0	-46.26	261.57	-0.21	-46.47
O=C(C=CC1=COC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596468	0	31	-1.0	-48.38	272.88	-1.43	-49.81
O=C(C=CC1=COC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596468	1	31	-1.0	-48.40	272.93	-1.40	-49.80
O=C(CCC1=NNC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596469	0	34	-1.0	-48.00	287.44	0.44	-47.56
O=C(CCC1=NNC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596469	1	34	-1.0	-48.03	287.50	0.47	-47.56
CC1CC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596470	0	37	-1.0	-46.23	279.89	2.12	-44.11
CC1CC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596470	1	37	-1.0	-46.23	279.94	2.14	-44.09
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004596471	0	39	-1.0	-41.79	303.29	0.18	-41.61
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004596471	1	39	-1.0	-41.71	303.35	0.21	-41.50
CCC1=CNC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596472	0	35	-1.0	-51.05	290.13	1.62	-49.43
CCC1=CNC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596472	1	35	-1.0	-51.03	290.19	1.65	-49.38
C#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004596473	0	36	-1.0	-44.68	288.17	2.75	-41.93
C#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004596473	1	36	-1.0	-44.68	288.22	2.76	-41.92
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(C#N)C1	REAL250004596474	0	35	-1.0	-47.01	286.32	2.05	-44.96
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(C#N)C1	REAL250004596474	1	35	-1.0	-46.99	286.38	2.08	-44.91
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CO)CC1	REAL250004596475	0	32	-1.0	-50.99	266.17	-1.97	-52.96
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CO)CC1	REAL250004596475	1	32	-1.0	-50.95	266.23	-1.94	-52.89
O=C(CC1(O)CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596476	0	36	-1.0	-48.02	286.67	-1.59	-49.61
O=C(CC1(O)CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596476	1	36	-1.0	-48.04	286.73	-1.57	-49.61
CN(C)C(=O)C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596477	0	35	-1.0	-45.90	294.37	0.30	-45.60
CN(C)C(=O)C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596477	1	35	-1.0	-45.92	294.43	0.32	-45.60
O=C(C=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)NC1CC1	REAL250004596478	0	36	-1.0	-45.51	308.61	0.09	-45.42
O=C(C=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)NC1CC1	REAL250004596478	1	36	-1.0	-45.49	308.67	0.12	-45.37
O=C(CC1=CNN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596479	0	31	-1.0	-50.87	266.10	-0.22	-51.09
O=C(CC1=CNN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596479	1	31	-1.0	-50.87	266.04	-0.24	-51.11
CC1=CN(C(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL250004596480	0	37	-1.0	-41.44	306.47	1.64	-39.80
CC1=CN(C(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL250004596480	1	37	-1.0	-41.46	306.41	1.61	-39.85
O=C(COC1=NOC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596481	0	31	-1.0	-49.65	273.08	-0.66	-50.31
O=C(COC1=NOC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596481	1	31	-1.0	-49.63	273.03	-0.69	-50.32
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(N2C=CN=N2)CC1	REAL250004596482	0	34	-1.0	-43.26	291.01	0.30	-42.96
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(N2C=CN=N2)CC1	REAL250004596482	1	34	-1.0	-43.24	290.95	0.28	-42.96
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(CC1)CC2	REAL250004596483	0	41	-1.0	-45.99	298.28	3.08	-42.91
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(CC1)CC2	REAL250004596483	1	41	-1.0	-45.93	298.33	3.11	-42.82
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596484	0	39	-1.0	-47.85	293.81	1.22	-46.63
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596484	1	39	-1.0	-47.85	293.86	1.24	-46.61
O=C(CC1(CO)CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596485	0	38	-1.0	-45.21	299.39	-0.53	-45.74
O=C(CC1(CO)CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596485	1	38	-1.0	-45.20	299.45	-0.51	-45.71
CCC(CCOC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596486	0	40	-1.0	-48.73	311.33	0.96	-47.77
CCC(CCOC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596486	1	40	-1.0	-48.74	311.39	0.98	-47.76
CC1=NC(N)=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596487	0	34	-1.0	-43.58	285.41	0.15	-43.43
CC1=NC(N)=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596487	1	34	-1.0	-43.60	285.47	0.17	-43.43
C=C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596488	0	34	-1.0	-46.25	278.31	1.85	-44.40
C=C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596488	1	34	-1.0	-46.25	278.36	1.87	-44.38
CN1N=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596489	0	34	-1.0	-51.83	286.48	0.79	-51.04
CN1N=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596489	1	34	-1.0	-51.80	286.53	0.82	-50.98
CC1(C#CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004596490	0	37	-1.0	-43.70	310.59	1.73	-41.97
CC1(C#CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004596490	1	37	-1.0	-43.72	310.65	1.75	-41.97
O=C(C1CSC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596491	0	30	-1.0	-52.78	265.99	-2.07	-54.85
O=C(C1CSC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596491	1	30	-1.0	-52.82	266.05	-2.05	-54.87
NC(=O)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1	REAL250004596492	0	32	-1.0	-44.10	278.68	-4.03	-48.13
NC(=O)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1	REAL250004596492	1	32	-1.0	-44.07	278.74	-4.00	-48.07
CC1(C)C(O)CC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596493	0	41	-1.0	-46.55	321.34	0.07	-46.48
CC1(C)C(O)CC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596493	1	41	-1.0	-46.54	321.40	0.09	-46.45
O=C(C1=CC2(C1)CCOC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596494	0	37	-1.0	-46.60	298.49	1.26	-45.34
O=C(C1=CC2(C1)CCOC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596494	1	37	-1.0	-46.56	298.55	1.28	-45.28
O=C(C1=CC=NN1CCF)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596495	0	34	-1.0	-44.34	286.89	1.02	-43.32
O=C(C1=CC=NN1CCF)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596495	1	34	-1.0	-44.35	286.83	1.00	-43.35
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CS1	REAL250004596496	0	33	-1.0	-46.64	283.89	1.72	-44.92
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CS1	REAL250004596496	1	33	-1.0	-46.62	283.83	1.70	-44.92
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL250004596497	0	33	-1.0	-38.33	265.00	0.64	-37.69
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL250004596497	1	33	-1.0	-38.32	265.05	0.67	-37.65
CCCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596498	0	37	-1.0	-48.28	307.18	2.30	-45.98
CCCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596498	1	37	-1.0	-48.27	307.13	2.28	-45.99
C[C@H](CC(F)(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596499	0	33	-1.0	-36.62	277.95	1.70	-34.92
C[C@H](CC(F)(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596499	1	33	-1.0	-36.65	278.00	1.72	-34.93
CCN1C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596500	0	35	-1.0	-46.54	285.20	2.58	-43.96
CCN1C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596500	1	35	-1.0	-46.56	285.26	2.60	-43.96
CC(=CN1C=CN=N1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596501	0	34	-1.0	-47.75	290.63	0.89	-46.86
CC(=CN1C=CN=N1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596501	1	34	-1.0	-47.70	290.69	0.92	-46.78
O=C(C(F)=CC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596502	0	32	-1.0	-41.81	273.46	2.41	-39.40
O=C(C(F)=CC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596502	1	32	-1.0	-41.84	273.52	2.44	-39.40
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596503	0	35	-1.0	-45.52	286.04	2.76	-42.76
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596503	1	35	-1.0	-45.54	286.10	2.79	-42.75
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N(C)C=N1	REAL250004596504	0	34	-1.0	-46.11	289.02	2.12	-43.99
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N(C)C=N1	REAL250004596504	1	34	-1.0	-46.12	289.08	2.14	-43.98
COC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596505	0	32	-1.0	-42.77	273.61	-3.11	-45.88
COC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596505	1	32	-1.0	-42.81	273.66	-3.08	-45.89
CC1CC(=O)NC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596506	0	35	-1.0	-53.07	284.74	-1.39	-54.46
CC1CC(=O)NC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596506	1	35	-1.0	-53.07	284.80	-1.37	-54.44
COCC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596507	0	34	-1.0	-41.69	292.32	-0.40	-42.09
COCC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596507	1	34	-1.0	-41.72	292.38	-0.37	-42.09
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC12CCC2	REAL250004596508	0	36	-1.0	-41.82	301.01	2.85	-38.97
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC12CCC2	REAL250004596508	1	36	-1.0	-41.83	301.07	2.88	-38.95
O=C(C1CC2(C1)CCOC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596509	0	39	-1.0	-46.45	308.28	1.37	-45.08
O=C(C1CC2(C1)CCOC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596509	1	39	-1.0	-46.44	308.34	1.39	-45.05
CCC1(CC)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596510	0	43	-1.0	-45.96	326.76	3.81	-42.15
CCC1(CC)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596510	1	43	-1.0	-45.99	326.81	3.84	-42.15
O=C(CN1N=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596511	0	29	-1.0	-53.33	256.59	-0.57	-53.90
O=C(CN1N=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596511	1	29	-1.0	-53.29	256.53	-0.60	-53.89
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@@H]21	REAL250004596512	0	41	-1.0	-47.30	309.94	3.66	-43.64
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@@H]21	REAL250004596512	1	41	-1.0	-47.31	310.00	3.68	-43.63
CC(C)=CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596513	0	37	-1.0	-45.83	299.92	3.07	-42.76
CC(C)=CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596513	1	37	-1.0	-45.83	299.97	3.10	-42.73
COC1=CC=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596514	0	34	-1.0	-43.25	285.97	-0.11	-43.36
COC1=CC=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596514	1	34	-1.0	-43.23	286.03	-0.08	-43.31
CC(=O)OCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596515	0	36	-1.0	-49.90	304.70	2.02	-47.88
CC(=O)OCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596515	1	36	-1.0	-49.92	304.75	2.05	-47.87
O=C(C1=NN(CCF)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596516	0	34	-1.0	-48.22	292.27	1.68	-46.54
O=C(C1=NN(CCF)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596516	1	34	-1.0	-48.20	292.21	1.66	-46.54
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC(=O)C1	REAL250004596517	0	36	-1.0	-50.18	282.62	1.29	-48.89
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC(=O)C1	REAL250004596517	1	36	-1.0	-50.20	282.68	1.32	-48.88
CC1=NC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL250004596518	0	33	-1.0	-49.47	292.93	1.25	-48.22
CC1=NC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL250004596518	1	33	-1.0	-49.50	292.98	1.28	-48.22
CC(=O)CC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596519	0	38	-1.0	-43.82	291.80	1.55	-42.27
CC(=O)CC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596519	1	38	-1.0	-43.79	291.85	1.58	-42.21
CC1=CNC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596520	0	37	-1.0	-47.68	308.89	1.37	-46.31
CC1=CNC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596520	1	37	-1.0	-47.69	308.95	1.39	-46.30
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004596521	0	35	-1.0	-60.18	280.82	0.30	-59.88
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004596521	1	35	-1.0	-60.15	280.76	0.28	-59.87
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004596522	0	39	-1.0	-49.21	305.20	1.21	-48.00
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004596522	1	39	-1.0	-49.24	305.26	1.23	-48.01
CCCC(CC)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596523	0	42	-1.0	-46.24	322.45	3.69	-42.55
CCCC(CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596523	1	42	-1.0	-46.24	322.51	3.71	-42.53
O=C(C1C(F)(F)C12CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596524	0	32	-1.0	-45.95	281.32	2.64	-43.31
O=C(C1C(F)(F)C12CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596524	1	32	-1.0	-45.99	281.38	2.66	-43.33
C=CCOC(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596525	0	36	-1.0	-44.99	310.44	-1.16	-46.15
C=CCOC(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596525	1	36	-1.0	-44.96	310.49	-1.14	-46.10
COCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=C1	REAL250004596526	0	35	-1.0	-39.77	294.90	0.33	-39.44
COCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=C1	REAL250004596526	1	35	-1.0	-39.76	294.96	0.35	-39.41
COC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596527	0	34	-1.0	-40.46	286.18	-0.32	-40.78
COC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596527	1	34	-1.0	-40.46	286.12	-0.34	-40.80
O=C(C[C@H]1COC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596528	0	33	-1.0	-54.39	277.32	-2.30	-56.69
O=C(C[C@H]1COC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596528	1	33	-1.0	-54.43	277.38	-2.27	-56.70
CN1C=CN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596529	0	31	-1.0	-45.40	259.84	1.57	-43.83
CN1C=CN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596529	1	31	-1.0	-45.43	259.79	1.55	-43.88
O=C(COC1CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596530	0	39	-1.0	-49.07	313.74	0.93	-48.14
O=C(COC1CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596530	1	39	-1.0	-49.08	313.80	0.96	-48.12
CC(C)NC(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596531	0	34	-1.0	-40.66	283.00	-1.32	-41.98
CC(C)NC(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596531	1	34	-1.0	-40.67	283.06	-1.29	-41.96
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1F	REAL250004596532	0	31	-1.0	-44.36	270.81	0.63	-43.73
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1F	REAL250004596532	1	31	-1.0	-44.38	270.75	0.60	-43.78
CC1(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1(F)F	REAL250004596533	0	34	-1.0	-44.66	282.76	2.33	-42.33
CC1(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1(F)F	REAL250004596533	1	34	-1.0	-44.72	282.82	2.36	-42.36
O=C(C(F)CC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596534	0	34	-1.0	-37.23	284.42	2.61	-34.62
O=C(C(F)CC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596534	1	34	-1.0	-37.26	284.48	2.64	-34.62
O=C(C1=NC=C(Cl)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596535	0	29	-1.0	-40.31	270.12	0.66	-39.65
O=C(C1=NC=C(Cl)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596535	1	29	-1.0	-40.28	270.06	0.64	-39.64
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)S(N)(=O)=O	REAL250004596536	0	32	-1.0	-57.38	276.97	-4.36	-61.74
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)S(N)(=O)=O	REAL250004596536	1	32	-1.0	-57.42	277.03	-4.33	-61.75
CC1=CNC(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596537	0	35	-1.0	-45.20	299.35	1.29	-43.91
CC1=CNC(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596537	1	35	-1.0	-45.22	299.40	1.32	-43.90
CCC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CC1	REAL250004596538	0	40	-1.0	-45.68	313.94	3.79	-41.89
CCC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004596538	1	40	-1.0	-45.67	314.00	3.81	-41.86
CC(=CC1CC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596539	0	35	-1.0	-37.98	290.33	2.93	-35.05
CC(=CC1CC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596539	1	35	-1.0	-37.98	290.39	2.96	-35.02
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004596540	0	37	-1.0	-44.64	301.08	1.79	-42.85
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004596540	1	37	-1.0	-44.63	301.02	1.77	-42.86
O=C(C1CC2(CC(=O)N2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596541	0	36	-1.0	-52.67	297.96	-1.43	-54.10
O=C(C1CC2(CC(=O)N2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596541	1	36	-1.0	-52.62	298.02	-1.40	-54.02
O=C(CCOC1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596542	0	35	-1.0	-44.84	292.10	1.12	-43.72
O=C(CCOC1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596542	1	35	-1.0	-44.83	292.16	1.14	-43.69
COCN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596543	0	35	-1.0	-47.13	293.58	-1.36	-48.49
COCN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596543	1	35	-1.0	-47.11	293.52	-1.39	-48.50
CC1(C)OC[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596544	0	36	-1.0	-38.38	292.55	0.50	-37.88
CC1(C)OC[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596544	1	36	-1.0	-38.42	292.61	0.52	-37.90
O=C(C=CC1=CC=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596545	0	33	-1.0	-46.13	287.34	2.03	-44.10
O=C(C=CC1=CC=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596545	1	33	-1.0	-46.10	287.40	2.06	-44.04
CC(C)C1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CO1	REAL250004596546	0	36	-1.0	-42.37	301.52	0.18	-42.19
CC(C)C1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CO1	REAL250004596546	1	36	-1.0	-42.36	301.58	0.21	-42.15
N#C[C@@]1(O)C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596547	0	33	-1.0	-47.50	283.27	-1.62	-49.12
N#C[C@@]1(O)C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596547	1	33	-1.0	-47.52	283.33	-1.60	-49.12
C=CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596548	0	35	-1.0	-47.37	288.08	2.62	-44.75
C=CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596548	1	35	-1.0	-47.31	288.14	2.64	-44.67
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CCCOC1	REAL250004596549	0	35	-1.0	-42.58	278.47	0.18	-42.40
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CCCOC1	REAL250004596549	1	35	-1.0	-42.57	278.53	0.21	-42.36
C=CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004596550	0	39	-1.0	-46.41	304.78	3.29	-43.12
C=CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004596550	1	39	-1.0	-46.38	304.84	3.32	-43.06
O=C(C(F)CC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596551	0	40	-1.0	-45.28	314.99	3.61	-41.67
O=C(C(F)CC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596551	1	40	-1.0	-45.26	315.05	3.64	-41.62
O=C(C1CC2(C1)CCCO2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596552	0	39	-1.0	-49.83	308.36	1.56	-48.27
O=C(C1CC2(C1)CCCO2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596552	1	39	-1.0	-49.83	308.42	1.59	-48.24
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CC1	REAL250004596553	0	39	-1.0	-40.67	305.09	2.10	-38.57
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CC1	REAL250004596553	1	39	-1.0	-40.66	305.15	2.12	-38.54
CCCC(O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596554	0	34	-1.0	-45.13	274.96	-0.47	-45.60
CCCC(O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596554	1	34	-1.0	-45.13	275.02	-0.45	-45.58
NC(=O)C1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596555	0	31	-1.0	-43.32	276.25	-3.41	-46.73
NC(=O)C1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596555	1	31	-1.0	-43.33	276.19	-3.44	-46.77
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CCC1	REAL250004596556	0	39	-1.0	-50.58	306.57	1.25	-49.33
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CCC1	REAL250004596556	1	39	-1.0	-50.55	306.62	1.27	-49.28
O=C([C@H]1CCC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596557	0	38	-1.0	-46.31	304.13	4.13	-42.18
O=C([C@H]1CCC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596557	1	38	-1.0	-46.33	304.19	4.16	-42.17
O=C(C1=C2C=CN=C2NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596558	0	34	-1.0	-55.06	292.27	1.81	-53.25
O=C(C1=C2C=CNC2=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596558	1	34	-1.0	-49.26	288.19	1.54	-47.72
O=C(C1=C2C=CN=C2NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596558	1	34	-1.0	-55.05	292.32	1.83	-53.22
O=C(C1=C2C=CNC2=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596558	1	34	-1.0	-49.27	288.25	1.57	-47.70
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(F)C1	REAL250004596559	0	34	-1.0	-45.19	272.42	1.79	-43.40
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(F)C1	REAL250004596559	1	34	-1.0	-45.20	272.48	1.82	-43.38
CC1CCC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596560	0	40	-1.0	-37.20	298.69	2.80	-34.40
CC1CCC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596560	1	40	-1.0	-37.19	298.75	2.82	-34.37
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=CO1	REAL250004596561	0	37	-1.0	-46.06	312.05	2.73	-43.33
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=CO1	REAL250004596561	1	37	-1.0	-46.07	312.11	2.76	-43.31
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCCC1CCC2	REAL250004596562	0	41	-1.0	-47.52	301.01	3.28	-44.24
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCCC1CCC2	REAL250004596562	1	41	-1.0	-47.50	301.07	3.30	-44.20
COCCC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596563	0	43	-1.0	-45.48	327.26	1.73	-43.75
COCCC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596563	1	43	-1.0	-45.45	327.32	1.75	-43.70
CCSC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596564	0	34	-1.0	-47.98	286.39	2.06	-45.92
CCSC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596564	1	34	-1.0	-47.99	286.45	2.08	-45.91
O=C(CC1COCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596565	0	36	-1.0	-50.93	291.21	0.24	-50.69
O=C(CC1COCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596565	1	36	-1.0	-50.89	291.27	0.26	-50.63
CCC1(C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596566	0	40	-1.0	-45.77	309.09	3.20	-42.57
CCC1(C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596566	1	40	-1.0	-45.77	309.14	3.22	-42.55
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(F)F	REAL250004596567	0	33	-1.0	-47.16	275.35	1.88	-45.28
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(F)F	REAL250004596567	1	33	-1.0	-47.15	275.41	1.90	-45.25
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)C=N1	REAL250004596568	0	36	-1.0	-43.99	296.79	1.72	-42.27
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)C=N1	REAL250004596568	1	36	-1.0	-44.03	296.85	1.75	-42.28
CC1(C)CCOC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596569	0	41	-1.0	-50.21	316.45	2.15	-48.06
CC1(C)CCOC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596569	1	41	-1.0	-50.22	316.51	2.18	-48.04
CC1=NC=NC(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596570	0	35	-1.0	-42.45	295.26	1.45	-41.00
CC1=NC=NC(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596570	1	35	-1.0	-42.44	295.32	1.48	-40.96
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC(C)=N1	REAL250004596571	0	35	-1.0	-43.74	294.37	1.69	-42.05
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC(C)=N1	REAL250004596571	1	35	-1.0	-43.73	294.43	1.72	-42.01
O=C(C1=CN=NN1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596572	0	34	-1.0	-43.06	286.24	0.19	-42.87
O=C(C1=CN=NN1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596572	1	34	-1.0	-43.05	286.19	0.17	-42.88
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NS1	REAL250004596573	0	30	-1.0	-42.52	266.90	0.65	-41.87
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NS1	REAL250004596573	1	30	-1.0	-42.57	266.95	0.67	-41.90
O=C(C=CC1=CN=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596574	0	33	-1.0	-47.12	287.21	0.39	-46.73
O=C(C=CC1=CN=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596574	1	33	-1.0	-47.09	287.27	0.41	-46.68
O=C(C1=CN=C(F)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596575	0	30	-1.0	-41.77	267.27	0.33	-41.44
O=C(C1=CN=C(F)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596575	1	30	-1.0	-41.78	267.21	0.31	-41.47
COC(=O)C(OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596576	0	34	-1.0	-49.26	286.65	0.75	-48.51
COC(=O)C(OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596576	1	34	-1.0	-49.28	286.71	0.77	-48.51
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596577	0	37	-1.0	-54.06	298.08	1.72	-52.34
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596577	1	37	-1.0	-54.06	298.14	1.75	-52.31
O=C([C@@H]1CCC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596578	0	38	-1.0	-48.65	307.56	4.26	-44.39
O=C([C@@H]1CCC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596578	1	38	-1.0	-48.63	307.62	4.27	-44.36
N#CCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596579	0	32	-1.0	-58.02	285.11	1.27	-56.75
N#CCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596579	1	32	-1.0	-58.03	285.05	1.25	-56.78
O=C(CC1C[C@@H]2COC[C@H]12)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596580	0	39	-1.0	-49.97	307.67	1.64	-48.33
O=C(CC1C[C@@H]2COC[C@H]12)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596580	1	39	-1.0	-49.93	307.73	1.66	-48.27
CCN1C=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596581	0	33	-1.0	-52.35	280.61	2.44	-49.91
CCN1C=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596581	1	33	-1.0	-52.36	280.55	2.41	-49.95
N#CCN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596582	0	32	-1.0	-48.82	280.37	0.63	-48.19
N#CCN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596582	1	32	-1.0	-48.83	280.31	0.60	-48.23
CC(C)CC(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596583	0	36	-1.0	-37.04	289.75	2.30	-34.74
CC(C)CC(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596583	1	36	-1.0	-37.07	289.81	2.32	-34.75
C=C(Cl)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596584	0	31	-1.0	-45.20	277.54	2.16	-43.04
C=C(Cl)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596584	1	31	-1.0	-45.20	277.60	2.18	-43.02
CC(CC1CCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596585	0	40	-1.0	-45.89	311.73	3.50	-42.39
CC(CC1CCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596585	1	40	-1.0	-45.87	311.79	3.52	-42.35
O=C(CCCC1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596586	0	40	-1.0	-46.59	317.41	3.93	-42.66
O=C(CCCC1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596586	1	40	-1.0	-46.61	317.46	3.96	-42.65
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1N	REAL250004596587	0	36	-1.0	-44.44	292.91	1.14	-43.30
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1N	REAL250004596587	1	36	-1.0	-44.40	292.97	1.15	-43.25
NC1=CC=CC(F)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596588	0	33	-1.0	-47.76	285.35	0.34	-47.42
NC1=CC=CC(F)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596588	1	33	-1.0	-47.76	285.41	0.37	-47.39
NC1=C(F)C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596589	0	33	-1.0	-44.09	280.62	0.46	-43.63
NC1=C(F)C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596589	1	33	-1.0	-44.07	280.67	0.48	-43.59
O=C(CC1=CC=C(O)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596590	0	34	-1.0	-53.20	290.69	-1.19	-54.39
O=C(CC1=CC=C(O)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596590	1	34	-1.0	-53.18	290.75	-1.16	-54.34
C=CN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596591	0	32	-1.0	-45.84	271.08	1.03	-44.81
C=CN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596591	1	32	-1.0	-45.86	271.14	1.06	-44.80
O=C(NC1=NC=CN1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596592	0	32	-1.0	-40.55	274.84	0.08	-40.47
O=C(NC1=NC=CN1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596592	1	32	-1.0	-40.53	274.79	0.05	-40.48
O=C(C(F)=CC1=CNC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596593	0	32	-1.0	-49.82	279.31	1.71	-48.11
O=C(C(F)=CC1=CNC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596593	1	32	-1.0	-49.79	279.37	1.73	-48.06
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C	REAL250004596594	0	33	-1.0	-52.62	278.70	1.04	-51.58
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C	REAL250004596594	1	33	-1.0	-52.62	278.76	1.06	-51.56
CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004596595	0	35	-1.0	-45.81	288.78	1.89	-43.92
CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004596595	1	35	-1.0	-45.83	288.84	1.91	-43.92
CN1NC(=O)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596596	0	32	-1.0	-43.88	278.69	-1.83	-45.71
CN1NC(=O)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596596	1	32	-1.0	-43.90	278.75	-1.80	-45.70
CN1C(=S)NN=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596597	0	31	-1.0	-39.82	275.87	1.49	-38.33
CN1C(=S)NN=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596597	1	31	-1.0	-39.80	275.92	1.52	-38.28
CCC1(C)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596598	0	38	-1.0	-46.69	301.68	3.13	-43.56
CCC1(C)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596598	1	38	-1.0	-46.71	301.73	3.15	-43.56
O=C(C[C@@H]1CCC[C@H]1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596599	0	38	-1.0	-48.51	301.13	-0.41	-48.92
O=C(C[C@@H]1CCC[C@H]1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596599	1	38	-1.0	-48.53	301.19	-0.38	-48.91
O=C(C[C@@H]1COC[C@H]1O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596600	0	36	-1.0	-52.09	291.28	-2.99	-55.08
O=C(C[C@@H]1COC[C@H]1O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596600	1	36	-1.0	-52.08	291.34	-2.96	-55.04
C#CC[C@]1(O)C[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596601	0	37	-1.0	-49.48	308.68	0.07	-49.41
C#CC[C@]1(O)C[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596601	1	37	-1.0	-49.42	308.74	0.09	-49.33
O=C(CC1CCC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596602	0	36	-1.0	-52.96	292.23	2.03	-50.93
O=C(CC1CCC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596602	1	36	-1.0	-52.95	292.29	2.05	-50.90
CC1(C)CC(O)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596603	0	38	-1.0	-42.74	298.30	-0.31	-43.05
CC1(C)CC(O)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596603	1	38	-1.0	-42.76	298.36	-0.29	-43.05
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004596604	0	37	-1.0	-48.31	304.42	2.99	-45.32
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004596604	1	37	-1.0	-48.27	304.48	3.01	-45.26
CCC(F)(F)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596605	0	33	-1.0	-52.96	278.01	1.97	-50.99
CCC(F)(F)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596605	1	33	-1.0	-52.95	278.07	2.00	-50.95
O=C(C1CCC2(C1)N=N2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596606	0	34	-1.0	-49.90	278.31	-3.29	-53.19
O=C(C1CCC2(C1)N=N2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596606	1	34	-1.0	-49.88	278.37	-3.27	-53.15
C=CCC(C)(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596607	0	40	-1.0	-45.41	308.52	3.27	-42.14
C=CCC(C)(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596607	1	40	-1.0	-45.41	308.58	3.30	-42.11
CCC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)OC	REAL250004596608	0	37	-1.0	-47.47	294.88	1.54	-45.93
CCC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)OC	REAL250004596608	1	37	-1.0	-47.48	294.94	1.56	-45.92
CCC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004596609	0	43	-1.0	-45.98	323.88	4.22	-41.76
CCC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004596609	1	43	-1.0	-45.95	323.93	4.24	-41.71
O=C(C1CC2CCC(C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596610	0	41	-1.0	-45.39	304.08	3.48	-41.91
O=C(C1CC2CCC(C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596610	1	41	-1.0	-45.41	304.13	3.50	-41.91
CC1(C)C(=O)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596611	0	36	-1.0	-45.35	288.66	1.60	-43.75
CC1(C)C(=O)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596611	1	36	-1.0	-45.28	288.71	1.62	-43.66
CC(C)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596612	0	37	-1.0	-46.32	297.80	3.04	-43.28
CC(C)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596612	1	37	-1.0	-46.34	297.86	3.06	-43.28
CCCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC=N1	REAL250004596613	0	36	-1.0	-39.30	298.27	-0.61	-39.91
CCCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC=N1	REAL250004596613	1	36	-1.0	-39.35	298.32	-0.59	-39.94
CC1=CC=C(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596614	0	36	-1.0	-48.06	302.29	1.65	-46.41
CC1=CC=C(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596614	1	36	-1.0	-48.11	302.35	1.67	-46.44
O=C(C1=CNC(Cl)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596615	0	28	-1.0	-45.03	258.28	0.40	-44.63
O=C(C1=CNC(Cl)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596615	1	28	-1.0	-45.05	258.34	0.42	-44.63
O=C(C1=C2C=CNC2=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596616	0	34	-1.0	-46.30	288.15	0.42	-45.88
O=C(C1=C2C=CNC2=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596616	1	34	-1.0	-46.31	288.21	0.45	-45.86
CC12CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(C1)CO2	REAL250004596617	0	36	-1.0	-44.28	285.62	0.43	-43.85
CC12CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(C1)CO2	REAL250004596617	1	36	-1.0	-44.25	285.67	0.45	-43.80
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC(CO1)CCC2	REAL250004596618	0	39	-1.0	-40.35	293.30	1.59	-38.76
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC(CO1)CCC2	REAL250004596618	1	39	-1.0	-40.30	293.36	1.61	-38.69
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC(C1)CO2	REAL250004596619	0	33	-1.0	-44.92	267.83	0.52	-44.40
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC(C1)CO2	REAL250004596619	1	33	-1.0	-44.93	267.88	0.54	-44.39
O=CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004596620	0	34	-1.0	-52.28	294.98	0.59	-51.69
O=CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004596620	1	34	-1.0	-52.31	295.04	0.62	-51.69
CCCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004596621	0	38	-1.0	-45.57	310.28	2.67	-42.90
CCCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004596621	1	38	-1.0	-45.57	310.33	2.69	-42.88
O=C([C@@H]1CC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596622	0	35	-1.0	-45.38	278.87	2.62	-42.76
O=C([C@@H]1CC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596622	1	35	-1.0	-45.39	278.93	2.65	-42.74
O=C(CC1CC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596623	0	33	-1.0	-51.87	276.70	1.46	-50.41
O=C(CC1CC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596623	1	33	-1.0	-51.85	276.76	1.48	-50.37
CN(C)C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596624	0	31	-1.0	-45.18	264.21	-1.17	-46.35
CN(C)C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596624	1	31	-1.0	-45.17	264.27	-1.14	-46.31
COC(=O)C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596625	0	33	-1.0	-49.26	279.27	0.79	-48.47
COC(=O)C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596625	1	33	-1.0	-49.24	279.33	0.82	-48.42
C#CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004596626	0	39	-1.0	-49.60	304.82	3.35	-46.25
C#CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004596626	1	39	-1.0	-49.57	304.88	3.36	-46.21
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(N2C=NC=N2)CC1	REAL250004596627	0	34	-1.0	-41.87	291.25	3.36	-38.51
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(N2C=NC=N2)CC1	REAL250004596627	1	34	-1.0	-41.84	291.19	3.35	-38.49
CCC1=CSC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596628	0	34	-1.0	-45.69	291.93	2.69	-43.00
CCC1=CSC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596628	1	34	-1.0	-45.64	291.99	2.72	-42.92
CC(C)C1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596629	0	40	-1.0	-46.32	313.90	3.49	-42.83
CC(C)C1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596629	1	40	-1.0	-46.34	313.95	3.51	-42.83
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NNC1=O	REAL250004596630	0	33	-1.0	-40.34	280.86	-1.06	-41.40
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NNC1=O	REAL250004596630	1	33	-1.0	-40.36	280.92	-1.03	-41.39
CC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL250004596631	0	32	-1.0	-44.50	274.91	0.76	-43.74
CC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL250004596631	1	32	-1.0	-44.48	274.97	0.78	-43.70
CN1C=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL250004596632	0	33	-1.0	-58.99	285.74	0.96	-58.03
CN1C=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL250004596632	1	33	-1.0	-59.04	285.68	0.94	-58.10
CC(C)(CC#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596633	0	34	-1.0	-43.86	273.40	1.16	-42.70
CC(C)(CC#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596633	1	34	-1.0	-43.84	273.46	1.19	-42.65
O=C(C=CC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596634	0	35	-1.0	-39.22	294.98	3.77	-35.45
O=C(C=CC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596634	1	35	-1.0	-39.20	295.04	3.79	-35.41
COC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1C	REAL250004596635	0	37	-1.0	-43.80	306.31	1.96	-41.84
COC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1C	REAL250004596635	1	37	-1.0	-43.80	306.37	1.98	-41.82
CC1(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596636	0	33	-1.0	-43.05	279.86	-3.06	-46.11
CC1(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596636	1	33	-1.0	-43.04	279.92	-3.03	-46.07
CC(C)(C)OC(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596637	0	39	-1.0	-53.28	313.04	3.22	-50.06
CC(C)(C)OC(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596637	1	39	-1.0	-53.23	313.09	3.25	-49.98
CC(C)(C)C(=O)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596638	0	41	-1.0	-44.21	328.28	2.81	-41.40
CC(C)(C)C(=O)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596638	1	41	-1.0	-44.19	328.34	2.84	-41.35
O=C(C1=CN=CC(F)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596639	0	29	-1.0	-41.40	256.94	-0.54	-41.94
O=C(C1=CN=CC(F)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596639	1	29	-1.0	-41.42	256.88	-0.57	-41.99
C#CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004596640	0	37	-1.0	-39.62	296.02	2.02	-37.60
C#CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004596640	1	37	-1.0	-39.60	296.08	2.05	-37.55
CC1=NC(C#N)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596641	0	34	-1.0	-45.26	297.42	1.39	-43.87
CC1=NC(C#N)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596641	1	34	-1.0	-45.26	297.48	1.41	-43.85
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCCCCC1	REAL250004596642	0	41	-1.0	-36.10	295.95	0.46	-35.64
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCCCCC1	REAL250004596642	1	41	-1.0	-36.11	296.01	0.47	-35.64
O=C(C1=CC2=CC=CC=C2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596643	0	36	-1.0	-47.70	296.21	4.07	-43.63
O=C(C1=CC2=CC=CC=C2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596643	1	36	-1.0	-47.69	296.27	4.09	-43.60
CC12CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(C1)OC2	REAL250004596644	0	36	-1.0	-45.79	288.77	0.57	-45.22
CC12CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(C1)OC2	REAL250004596644	1	36	-1.0	-45.83	288.83	0.59	-45.24
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CC2)CCCO1	REAL250004596645	0	39	-1.0	-44.16	295.24	1.56	-42.60
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CC2)CCCO1	REAL250004596645	1	39	-1.0	-44.15	295.30	1.59	-42.56
CC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596646	0	33	-1.0	-42.75	277.23	2.01	-40.74
CC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596646	1	33	-1.0	-42.74	277.29	2.02	-40.72
CC1(F)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596647	0	34	-1.0	-43.94	279.41	2.21	-41.73
CC1(F)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596647	1	34	-1.0	-43.94	279.46	2.23	-41.71
CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596648	0	31	-1.0	-48.28	270.71	1.64	-46.64
CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596648	1	31	-1.0	-48.26	270.77	1.66	-46.60
C=CCC(CC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596649	0	43	-1.0	-46.90	332.07	3.79	-43.11
C=CCC(CC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596649	1	43	-1.0	-46.90	332.13	3.82	-43.08
CC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596650	0	35	-1.0	-50.34	280.06	1.47	-48.87
CC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596650	1	35	-1.0	-50.33	280.12	1.49	-48.84
CC1OC2(C)CC1(C(=O)N1CCOC(C3=N[N-]N=N3)C1)C2	REAL250004596651	0	39	-1.0	-43.91	304.40	1.06	-42.85
CC1OC2(C)CC1(C(=O)N1CCOC(C3=NN=N[N-]3)C1)C2	REAL250004596651	1	39	-1.0	-43.94	304.46	1.07	-42.87
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12COC(C=CC1)C2	REAL250004596652	0	37	-1.0	-38.06	284.81	0.81	-37.25
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12COC(C=CC1)C2	REAL250004596652	1	37	-1.0	-38.06	284.86	0.84	-37.22
C[C@@H]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C[C@H](C)O1	REAL250004596653	0	41	-1.0	-46.90	320.38	1.84	-45.06
C[C@@H]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL250004596653	1	41	-1.0	-46.89	320.43	1.87	-45.02
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12COC(C1)CCC2	REAL250004596654	0	39	-1.0	-44.73	289.33	0.87	-43.86
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12COC(C1)CCC2	REAL250004596654	1	39	-1.0	-44.76	289.39	0.90	-43.86
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(CO1)C2	REAL250004596655	0	36	-1.0	-40.60	281.96	1.03	-39.57
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(CO1)C2	REAL250004596655	1	36	-1.0	-40.62	282.01	1.06	-39.56
CC12CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(CO1)C2	REAL250004596656	0	39	-1.0	-44.78	300.15	1.00	-43.78
CC12CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(CO1)C2	REAL250004596656	1	39	-1.0	-44.81	300.21	1.03	-43.78
O=C(C1CC2(CC2F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596657	0	35	-1.0	-45.35	291.66	3.00	-42.35
O=C(C1CC2(CC2F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596657	1	35	-1.0	-45.31	291.72	3.03	-42.28
CC1(C)CC1(C#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596658	0	35	-1.0	-44.79	291.73	2.16	-42.63
CC1(C)CC1(C#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596658	1	35	-1.0	-44.78	291.79	2.18	-42.60
O=C(C[C@@H]1CC=CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596660	0	38	-1.0	-47.03	298.07	3.48	-43.55
O=C(C[C@@H]1CC=CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596660	1	38	-1.0	-47.02	298.12	3.50	-43.52
CCC1=CNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596661	0	35	-1.0	-47.34	288.71	2.03	-45.31
CCC1=CNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596661	1	35	-1.0	-47.30	288.76	2.05	-45.25
COCCOCC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596662	0	39	-1.0	-40.95	327.51	0.13	-40.82
COCCOCC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596662	1	39	-1.0	-40.93	327.57	0.16	-40.77
O=C(C=CC1CCCO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596663	0	36	-1.0	-48.02	295.24	1.14	-46.88
O=C(C=CC1CCCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596663	1	36	-1.0	-47.99	295.30	1.16	-46.83
CC1=CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596664	0	38	-1.0	-37.13	299.95	3.27	-33.86
CC1=CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596664	1	38	-1.0	-37.11	300.01	3.28	-33.83
CC[C@H](CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)C	REAL250004596665	0	42	-1.0	-45.75	309.60	3.17	-42.58
CC[C@H](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)C	REAL250004596665	1	42	-1.0	-45.74	309.66	3.20	-42.54
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=C1	REAL250004596666	0	34	-1.0	-47.15	295.61	2.97	-44.18
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=C1	REAL250004596666	1	34	-1.0	-47.16	295.67	3.00	-44.16
O=C(CC12CC(C1)C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596667	0	35	-1.0	-47.51	279.95	3.01	-44.50
O=C(CC12CC(C1)C2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596667	1	35	-1.0	-47.52	280.01	3.03	-44.49
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=NC=N1	REAL250004596668	0	36	-1.0	-42.68	299.77	2.85	-39.83
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=NC=N1	REAL250004596668	1	36	-1.0	-42.68	299.71	2.83	-39.85
C#CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOC1	REAL250004596669	0	37	-1.0	-52.32	296.66	0.85	-51.47
C#CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOC1	REAL250004596669	1	37	-1.0	-52.29	296.71	0.86	-51.43
CCC=CC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596670	0	35	-1.0	-38.50	294.89	3.06	-35.44
CCC=CC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596670	1	35	-1.0	-38.50	294.95	3.09	-35.41
O=C(C1=CN2N=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596671	0	34	-1.0	-42.45	293.27	2.20	-40.25
O=C(C1=CN2N=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596671	1	34	-1.0	-42.45	293.22	2.18	-40.27
CCN1C(=O)CCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596672	0	38	-1.0	-52.08	307.34	1.19	-50.89
CCN1C(=O)CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596672	1	38	-1.0	-52.12	307.40	1.21	-50.91
O=C(CC1CC=CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596673	0	35	-1.0	-47.09	281.98	2.83	-44.26
O=C(CC1CC=CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596673	1	35	-1.0	-47.04	282.04	2.85	-44.19
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1	REAL250004596674	0	32	-1.0	-41.91	268.38	0.79	-41.12
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1	REAL250004596674	1	32	-1.0	-41.93	268.44	0.80	-41.13
O=C(C1CCOC(=O)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596675	0	37	-1.0	-54.40	295.60	1.76	-52.64
O=C(C1CCOC(=O)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596675	1	37	-1.0	-54.36	295.65	1.79	-52.57
O=C(CCCCCF)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596676	0	36	-1.0	-48.84	297.26	2.75	-46.09
O=C(CCCCCF)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596676	1	36	-1.0	-48.82	297.32	2.78	-46.04
CCN1N=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL250004596677	0	36	-1.0	-47.97	297.67	0.54	-47.43
CCN1N=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL250004596677	1	36	-1.0	-47.98	297.73	0.56	-47.42
O=C(C1CC(=O)CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596678	0	31	-1.0	-39.92	262.06	-0.26	-40.18
O=C(C1CC(=O)CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596678	1	31	-1.0	-39.91	262.12	-0.24	-40.15
CC1=NN=NN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596679	0	32	-1.0	-57.29	276.17	-0.39	-57.68
CC1=NN=NN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596679	1	32	-1.0	-57.32	276.23	-0.36	-57.68
CN1N=NC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596680	0	33	-1.0	-55.14	280.57	-0.40	-55.54
CN1N=NC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596680	1	33	-1.0	-55.17	280.63	-0.38	-55.55
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004596681	0	32	-1.0	-49.77	268.91	2.22	-47.55
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004596681	1	32	-1.0	-49.77	268.97	2.24	-47.53
O=C(C1=NC=C(F)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596682	0	29	-1.0	-40.44	259.76	0.25	-40.19
O=C(C1=NC=C(F)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596682	1	29	-1.0	-40.48	259.70	0.23	-40.25
CC1(C)COCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596683	0	41	-1.0	-47.09	304.72	1.38	-45.71
CC1(C)COCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596683	1	41	-1.0	-47.10	304.77	1.41	-45.69
CC1=NN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL250004596684	0	32	-1.0	-53.71	278.49	-0.73	-54.44
CC1=NN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL250004596684	1	32	-1.0	-53.72	278.55	-0.70	-54.42
O=C(C1=CC=C2C=COC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596685	0	34	-1.0	-46.17	288.13	2.56	-43.61
O=C(C1=CC=C2C=COC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596685	1	34	-1.0	-46.19	288.19	2.59	-43.60
C#CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596686	0	33	-1.0	-48.17	288.05	3.41	-44.76
C#CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596686	1	33	-1.0	-48.14	288.11	3.44	-44.70
CCN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL250004596687	0	37	-1.0	-44.76	305.10	1.97	-42.79
CCN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL250004596687	1	37	-1.0	-44.72	305.15	2.00	-42.72
CCCN1C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596688	0	38	-1.0	-46.72	306.70	3.34	-43.38
CCCN1C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596688	1	38	-1.0	-46.69	306.76	3.36	-43.33
O=C(CC1CC2CC2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596689	0	38	-1.0	-46.94	300.03	3.67	-43.27
O=C(CC1CC2CC2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596689	1	38	-1.0	-46.97	300.09	3.70	-43.27
O=C(C1=CCCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596690	0	33	-1.0	-44.59	272.74	0.21	-44.38
O=C(C1=CCCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596690	1	33	-1.0	-44.60	272.79	0.23	-44.37
CCC1=NON=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596691	0	32	-1.0	-38.65	273.77	0.89	-37.76
CCC1=NON=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596691	1	32	-1.0	-38.60	273.83	0.90	-37.70
O=C(C1=CN(CCO)N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596692	0	34	-1.0	-47.02	292.39	-3.31	-50.33
O=C(C1=CN(CCO)N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596692	1	34	-1.0	-47.02	292.33	-3.34	-50.36
O=C(CC1CC2(CCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596693	0	41	-1.0	-47.01	322.89	4.22	-42.79
O=C(CC1CC2(CCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596693	1	41	-1.0	-46.98	322.95	4.24	-42.74
O=C(C1=NOC(CF)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596694	0	30	-1.0	-43.97	265.64	1.07	-42.90
O=C(C1=NOC(CF)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596694	1	30	-1.0	-44.01	265.69	1.10	-42.91
CN1C=C(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL250004596695	0	35	-1.0	-52.00	299.96	1.00	-51.00
CN1C=C(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL250004596695	1	35	-1.0	-52.02	299.91	0.97	-51.05
C=CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1	REAL250004596696	0	35	-1.0	-37.50	275.40	2.44	-35.06
C=CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004596696	1	35	-1.0	-37.56	275.46	2.46	-35.10
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(C1)OC2	REAL250004596697	0	36	-1.0	-44.92	278.65	0.39	-44.53
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(C1)OC2	REAL250004596697	1	36	-1.0	-44.93	278.71	0.42	-44.51
CCC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596698	0	33	-1.0	-41.27	280.50	1.11	-40.16
CCC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596698	1	33	-1.0	-41.26	280.56	1.13	-40.13
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596699	0	43	-1.0	-46.76	324.93	3.73	-43.03
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596699	1	43	-1.0	-46.77	324.98	3.76	-43.01
C[C@@H]1C[C@]2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@H]12	REAL250004596700	0	35	-1.0	-46.20	282.63	2.70	-43.50
C[C@@H]1C[C@]2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@H]12	REAL250004596700	1	35	-1.0	-46.21	282.68	2.73	-43.48
O=C(C=CC1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596701	0	34	-1.0	-39.45	290.03	2.02	-37.43
O=C(C=CC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596701	1	34	-1.0	-39.45	290.08	2.04	-37.41
O=C(C1CC(C2CC2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596702	0	36	-1.0	-52.98	299.54	2.40	-50.58
O=C(C1CC(C2CC2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596702	1	36	-1.0	-52.95	299.59	2.42	-50.53
O=C(C1COC(=O)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596703	0	29	-1.0	-56.05	252.68	0.64	-55.41
O=C(C1COC(=O)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596703	1	29	-1.0	-56.05	252.74	0.67	-55.38
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCOC1	REAL250004596704	0	38	-1.0	-45.46	297.16	0.64	-44.82
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCOC1	REAL250004596704	1	38	-1.0	-45.51	297.21	0.66	-44.85
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596705	0	35	-1.0	-37.22	277.91	2.74	-34.48
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596705	1	35	-1.0	-37.19	277.97	2.77	-34.42
O=C(C1COC2COCC21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596706	0	37	-1.0	-49.92	285.18	-1.10	-51.02
O=C(C1COC2COCC21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596706	1	37	-1.0	-49.89	285.23	-1.08	-50.97
CC1CCOC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596707	0	38	-1.0	-50.32	296.68	1.68	-48.64
CC1CCOC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596707	1	38	-1.0	-50.29	296.74	1.70	-48.59
C=C1CC2(C1)CC(C(=O)N1CCOC(C3=N[N-]N=N3)C1)C2	REAL250004596708	0	39	-1.0	-45.72	314.33	3.89	-41.83
C=C1CC2(C1)CC(C(=O)N1CCOC(C3=NN=N[N-]3)C1)C2	REAL250004596708	1	39	-1.0	-45.73	314.39	3.92	-41.81
O=C(C1CCC2C1C2(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596709	0	35	-1.0	-52.79	284.13	2.69	-50.10
O=C(C1CCC2C1C2(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596709	1	35	-1.0	-52.78	284.19	2.71	-50.07
O=C(CC12CCC(CC1)C2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596710	0	41	-1.0	-46.89	309.75	3.87	-43.02
O=C(CC12CCC(CC1)C2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596710	1	41	-1.0	-46.87	309.80	3.88	-42.99
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004596711	0	32	-1.0	-46.50	267.29	1.15	-45.35
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004596711	1	32	-1.0	-46.51	267.34	1.17	-45.34
CCCOCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596712	0	40	-1.0	-49.03	324.70	1.89	-47.14
CCCOCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596712	1	40	-1.0	-49.03	324.76	1.91	-47.12
CN1N=CC(C#N)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596713	0	32	-1.0	-46.46	289.38	0.39	-46.07
CN1N=CC(C#N)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596713	1	32	-1.0	-46.43	289.32	0.36	-46.07
CC(C)C(C)C(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596714	0	45	-1.0	-45.72	331.03	3.80	-41.92
CC(C)C(C)C(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596714	1	45	-1.0	-45.63	331.09	3.82	-41.81
CO[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004596715	0	36	-1.0	-50.23	296.32	1.08	-49.15
CO[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004596715	1	36	-1.0	-50.25	296.38	1.11	-49.14
CC1(C)CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CO1	REAL250004596716	0	41	-1.0	-38.21	311.89	1.45	-36.76
CC1(C)CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CO1	REAL250004596716	1	41	-1.0	-38.21	311.95	1.47	-36.74
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCCC1C2(F)F	REAL250004596717	0	35	-1.0	-40.95	291.22	2.74	-38.21
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCCC1C2(F)F	REAL250004596717	1	35	-1.0	-40.93	291.27	2.77	-38.16
O=C(C1=C(C2CC2)C=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596718	0	35	-1.0	-40.83	290.44	2.65	-38.18
O=C(C1=C(C2CC2)C=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596718	1	35	-1.0	-40.77	290.49	2.67	-38.10
CC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCO1	REAL250004596719	0	38	-1.0	-46.79	293.44	2.02	-44.77
CC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCO1	REAL250004596719	1	38	-1.0	-46.82	293.49	2.04	-44.78
O=C(C1=NC2=CC=CNC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596720	0	34	-1.0	-60.40	288.27	1.25	-59.15
O=C(C1=NC2=CC=CNC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596720	1	34	-1.0	-60.41	288.32	1.27	-59.14
O=C(C1C2C3CC1C(=O)C32)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596721	0	35	-1.0	-44.05	282.97	2.11	-41.94
O=C(C1C2C3CC1C(=O)C32)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596721	1	35	-1.0	-44.05	283.03	2.13	-41.92
COCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL250004596722	0	36	-1.0	-46.59	299.79	0.28	-46.31
COCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL250004596722	1	36	-1.0	-46.56	299.85	0.30	-46.26
O=C(CC1CC2(CC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596723	0	38	-1.0	-47.21	306.38	3.75	-43.46
O=C(CC1CC2(CC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596723	1	38	-1.0	-47.21	306.44	3.78	-43.43
CC1=NN(C)C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596724	0	37	-1.0	-52.43	308.41	1.38	-51.05
CC1=NN(C)C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596724	1	37	-1.0	-52.41	308.47	1.40	-51.01
CCC(C)CC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596725	0	42	-1.0	-46.44	319.25	3.38	-43.06
CCC(C)CC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596725	1	42	-1.0	-46.47	319.30	3.40	-43.07
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(F)(CC1)C2	REAL250004596726	0	38	-1.0	-46.63	293.63	2.85	-43.78
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(F)(CC1)C2	REAL250004596726	1	38	-1.0	-46.61	293.68	2.87	-43.74
CC1(C)CC2(CC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596727	0	41	-1.0	-46.43	324.09	4.07	-42.36
CC1(C)CC2(CC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596727	1	41	-1.0	-46.42	324.14	4.10	-42.32
O=C(C1CCCC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596728	0	41	-1.0	-46.56	308.01	3.88	-42.68
O=C(C1CCCC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596728	1	41	-1.0	-46.61	308.07	3.89	-42.72
C=C1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)(C(F)F)C1	REAL250004596729	0	35	-1.0	-47.29	287.45	2.31	-44.98
C=C1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)(C(F)F)C1	REAL250004596729	1	35	-1.0	-47.33	287.51	2.33	-45.00
O=C([C@H]1CC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596730	0	28	-1.0	-46.39	248.90	1.18	-45.21
O=C([C@H]1CC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596730	1	28	-1.0	-46.38	248.96	1.21	-45.17
CC12CC(CC(=O)N3CCOC(C4=N[N-]N=N4)C3)(C1)CO2	REAL250004596731	0	39	-1.0	-50.60	308.81	1.51	-49.09
CC12CC(CC(=O)N3CCOC(C4=NN=N[N-]4)C3)(C1)CO2	REAL250004596731	1	39	-1.0	-50.60	308.87	1.53	-49.07
C[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004596732	0	35	-1.0	-46.79	283.90	2.76	-44.03
C[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004596732	1	35	-1.0	-46.78	283.96	2.78	-44.00
CC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C#N	REAL250004596733	0	34	-1.0	-38.29	296.72	1.24	-37.05
CC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C#N	REAL250004596733	1	34	-1.0	-38.29	296.77	1.27	-37.02
O=C([C@@H]1CCC(=O)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596734	0	31	-1.0	-54.09	261.03	1.40	-52.69
O=C([C@@H]1CCC(=O)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596734	1	31	-1.0	-54.07	261.09	1.43	-52.64
O=C(C(F)C1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596735	0	34	-1.0	-37.10	275.26	2.29	-34.81
O=C(C(F)C1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596735	1	34	-1.0	-37.06	275.32	2.32	-34.74
O=C(C(F)C1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596736	0	35	-1.0	-46.61	283.23	0.34	-46.27
O=C(C(F)C1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596736	1	35	-1.0	-46.60	283.28	0.37	-46.23
CCC1(C)CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL250004596737	0	41	-1.0	-50.29	317.22	2.74	-47.55
CCC1(C)CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596737	1	41	-1.0	-50.30	317.28	2.77	-47.53
O=C(C1CC2(CCC2)CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596738	0	39	-1.0	-49.46	306.00	2.45	-47.01
O=C(C1CC2(CCC2)CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596738	1	39	-1.0	-49.47	306.06	2.47	-47.00
O=C(C1CC2(CC(F)C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596739	0	38	-1.0	-46.48	307.40	3.45	-43.03
O=C(C1CC2(CC(F)C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596739	1	38	-1.0	-46.52	307.46	3.48	-43.04
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC(C1)OC2	REAL250004596740	0	33	-1.0	-44.89	264.00	-0.20	-45.09
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC(C1)OC2	REAL250004596740	1	33	-1.0	-44.87	264.06	-0.17	-45.04
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596741	0	33	-1.0	-43.64	282.09	-1.84	-45.48
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596741	1	33	-1.0	-43.65	282.15	-1.81	-45.46
[N-]=[N+]=NC1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596742	0	36	-1.0	-36.85	298.94	-1.27	-38.12
[N-]=[N+]=NC1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596742	1	36	-1.0	-36.87	299.00	-1.24	-38.11
COC1=CN=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596743	0	33	-1.0	-44.42	280.72	-0.78	-45.20
COC1=CN=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596743	1	33	-1.0	-44.44	280.66	-0.80	-45.24
C[C@H]1C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@H]1C	REAL250004596744	0	34	-1.0	-46.15	275.50	2.31	-43.84
C[C@H]1C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@H]1C	REAL250004596744	1	34	-1.0	-46.14	275.55	2.34	-43.80
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596745	0	34	-1.0	-44.67	289.38	2.57	-42.10
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596745	1	34	-1.0	-44.67	289.43	2.60	-42.07
CC1CC(=O)NCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596746	0	38	-1.0	-47.60	300.87	-0.76	-48.36
CC1CC(=O)NCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596746	1	38	-1.0	-47.60	300.93	-0.74	-48.34
CC1(C)C(C)(C)C1(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596747	0	40	-1.0	-43.09	303.75	2.77	-40.32
CC1(C)C(C)(C)C1(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596747	1	40	-1.0	-43.07	303.81	2.78	-40.29
COC1(C#N)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596748	0	36	-1.0	-48.84	303.44	0.60	-48.24
COC1(C#N)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596748	1	36	-1.0	-48.83	303.50	0.63	-48.20
C[C@@H]1OCC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596749	0	35	-1.0	-48.02	273.33	0.35	-47.67
C[C@@H]1OCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596749	1	35	-1.0	-48.00	273.39	0.37	-47.63
CC1(C)CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CO1	REAL250004596750	0	41	-1.0	-49.24	321.97	1.85	-47.39
CC1(C)CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CO1	REAL250004596750	1	41	-1.0	-49.24	322.02	1.87	-47.37
O=C(C1CCCCC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596751	0	39	-1.0	-44.47	300.80	2.17	-42.30
O=C(C1CCCCC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596751	1	39	-1.0	-44.49	300.85	2.18	-42.31
O=C(C1CCC2(CCC2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596752	0	39	-1.0	-51.02	306.92	2.72	-48.30
O=C(C1CCC2(CCC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596752	1	39	-1.0	-51.05	306.98	2.74	-48.31
CC1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596753	0	43	-1.0	-44.70	313.46	3.52	-41.18
CC1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596753	1	43	-1.0	-44.65	313.51	3.54	-41.11
O=C([C@@H]1CC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596754	0	28	-1.0	-46.17	249.20	1.18	-44.99
O=C([C@@H]1CC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596754	1	28	-1.0	-46.19	249.26	1.20	-44.99
O=C([C@@H]1C[C@@H]1C(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596755	0	31	-1.0	-48.32	263.20	2.01	-46.31
O=C([C@@H]1C[C@@H]1C(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596755	1	31	-1.0	-48.28	263.26	2.04	-46.24
CC1=C(Cl)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1	REAL250004596756	0	31	-1.0	-42.52	277.84	0.36	-42.16
CC1=C(Cl)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1	REAL250004596756	1	31	-1.0	-42.53	277.90	0.39	-42.14
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(=O)C1	REAL250004596757	0	31	-1.0	-43.89	270.84	0.38	-43.51
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(=O)C1	REAL250004596757	1	31	-1.0	-43.88	270.90	0.41	-43.47
CC12CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(C1)CCO2	REAL250004596758	0	39	-1.0	-37.10	298.70	1.02	-36.08
CC12CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(C1)CCO2	REAL250004596758	1	39	-1.0	-37.13	298.75	1.04	-36.09
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004596759	0	34	-1.0	-49.12	293.08	-1.27	-50.39
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004596759	1	34	-1.0	-49.09	293.14	-1.24	-50.33
CC(C)C1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596760	0	38	-1.0	-53.12	309.97	2.25	-50.87
CC(C)C1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596760	1	38	-1.0	-53.11	310.03	2.27	-50.84
CC(C)(C#N)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596761	0	37	-1.0	-53.41	302.23	2.38	-51.03
CC(C)(C#N)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596761	1	37	-1.0	-53.39	302.28	2.40	-50.99
[N-]=[N+]=NCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596762	0	29	-1.0	-44.17	256.35	-3.09	-47.26
[N-]=[N+]=NCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596762	1	29	-1.0	-44.15	256.40	-3.06	-47.21
[N-]=[N+]=NCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596763	0	32	-1.0	-49.46	277.81	-2.29	-51.75
[N-]=[N+]=NCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596763	1	32	-1.0	-49.49	277.87	-2.27	-51.76
CCOCC(N=[N+]=[N-])C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596764	0	36	-1.0	-44.93	308.33	-3.21	-48.14
CCOCC(N=[N+]=[N-])C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596764	1	36	-1.0	-44.95	308.39	-3.19	-48.14
O=C(C1CC(C2CCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596765	0	41	-1.0	-46.99	320.93	4.20	-42.79
O=C(C1CC(C2CCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596765	1	41	-1.0	-46.96	320.99	4.22	-42.74
CNC(=O)NC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596766	0	36	-1.0	-45.47	298.93	-2.74	-48.21
CNC(=O)NC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596766	1	36	-1.0	-45.44	298.98	-2.72	-48.16
CNC(=O)N[C@@H](C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596767	0	36	-1.0	-45.58	298.15	-2.76	-48.34
CNC(=O)N[C@@H](C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596767	1	36	-1.0	-45.57	298.21	-2.73	-48.30
CNC(=O)N[C@H](C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596768	0	36	-1.0	-42.96	297.85	-2.78	-45.74
CNC(=O)N[C@H](C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596768	1	36	-1.0	-42.93	297.91	-2.75	-45.68
CC(C)[C@@H](NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596769	0	39	-1.0	-44.01	301.03	-3.27	-47.28
CC(C)[C@@H](NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596769	1	39	-1.0	-44.01	301.09	-3.25	-47.26
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CCCC1	REAL250004596770	0	38	-1.0	-37.88	285.33	2.56	-35.32
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CCCC1	REAL250004596770	1	38	-1.0	-37.83	285.39	2.59	-35.24
CC1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCS1	REAL250004596771	0	38	-1.0	-45.55	308.57	3.09	-42.46
CC1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCS1	REAL250004596771	1	38	-1.0	-45.58	308.63	3.12	-42.46
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCC2)CC1	REAL250004596772	0	38	-1.0	-47.32	296.71	3.62	-43.70
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCC2)CC1	REAL250004596772	1	38	-1.0	-47.29	296.77	3.64	-43.65
CC(C)(F)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596773	0	36	-1.0	-45.57	291.74	2.40	-43.17
CC(C)(F)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596773	1	36	-1.0	-45.60	291.80	2.42	-43.18
COC1CC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596774	0	41	-1.0	-49.01	329.34	2.09	-46.92
COC1CC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596774	1	41	-1.0	-49.02	329.40	2.12	-46.90
CCCCC[C@@H](O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596775	0	43	-1.0	-50.33	342.88	1.77	-48.56
CCCCC[C@@H](O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596775	1	43	-1.0	-50.30	342.93	1.79	-48.51
CCC1=C(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL250004596776	0	36	-1.0	-43.52	297.64	2.34	-41.18
CCC1=C(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL250004596776	1	36	-1.0	-43.48	297.69	2.36	-41.12
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(F)CC2(CCC2)C1	REAL250004596777	0	38	-1.0	-42.06	305.57	3.39	-38.67
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(F)CC2(CCC2)C1	REAL250004596777	1	38	-1.0	-42.05	305.63	3.41	-38.64
O=C(C1CCCCNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596778	0	38	-1.0	-39.74	283.30	-0.85	-40.59
O=C(C1CCCCNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596778	1	38	-1.0	-39.76	283.36	-0.82	-40.58
O=C(CN1C=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596779	0	30	-1.0	-56.75	261.25	2.11	-54.64
O=C(CN1C=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596779	1	30	-1.0	-56.76	261.19	2.08	-54.68
COCC(C)(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596780	0	38	-1.0	-47.01	303.22	-0.81	-47.82
COCC(C)(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596780	1	38	-1.0	-47.00	303.27	-0.79	-47.79
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CS1	REAL250004596781	0	34	-1.0	-45.36	291.65	2.76	-42.60
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CS1	REAL250004596781	1	34	-1.0	-45.36	291.71	2.78	-42.58
CCC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596783	0	35	-1.0	-53.72	289.17	1.68	-52.04
CCC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596783	1	35	-1.0	-53.69	289.22	1.71	-51.98
O=C(C(F)C1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596784	0	38	-1.0	-48.71	302.72	0.99	-47.72
O=C(C(F)C1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596784	1	38	-1.0	-48.72	302.78	1.02	-47.70
CCC1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL250004596785	0	36	-1.0	-42.31	298.70	2.76	-39.55
CCC1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL250004596785	1	36	-1.0	-42.33	298.75	2.78	-39.55
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SN=C1	REAL250004596786	0	30	-1.0	-39.34	265.64	0.60	-38.74
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SN=C1	REAL250004596786	1	30	-1.0	-39.35	265.58	0.57	-38.78
CC(C)(CCC#N)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596787	0	37	-1.0	-54.06	291.55	1.98	-52.08
CC(C)(CCC#N)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596787	1	37	-1.0	-54.08	291.60	2.01	-52.07
CC(C)(F)C(C)(F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596788	0	36	-1.0	-44.65	283.39	1.86	-42.79
CC(C)(F)C(C)(F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596788	1	36	-1.0	-44.67	283.44	1.89	-42.78
N#CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2CC2C1	REAL250004596789	0	36	-1.0	-41.76	292.67	2.48	-39.28
N#CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2CC2C1	REAL250004596789	1	36	-1.0	-41.77	292.73	2.51	-39.26
C#CCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596790	0	30	-1.0	-52.46	266.54	1.17	-51.29
C#CCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596790	1	30	-1.0	-52.44	266.60	1.19	-51.25
O=C([C@H]1CC(=O)N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596791	0	29	-1.0	-53.00	249.96	-3.46	-56.46
O=C([C@H]1CC(=O)N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596791	1	29	-1.0	-53.05	250.02	-3.43	-56.48
CC1(C)NC(=O)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596792	0	38	-1.0	-47.84	296.23	-1.17	-49.01
CC1(C)NC(=O)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596792	1	38	-1.0	-47.86	296.29	-1.14	-49.00
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596793	0	36	-1.0	-52.93	293.02	-0.75	-53.68
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596793	1	36	-1.0	-52.92	293.07	-0.72	-53.64
CC1CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)O1	REAL250004596794	0	41	-1.0	-47.27	322.96	1.87	-45.40
CC1CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)O1	REAL250004596794	1	41	-1.0	-47.26	323.01	1.90	-45.36
O=C(C1=COC(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596795	0	28	-1.0	-45.44	259.68	0.98	-44.46
O=C(C1=COC(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596795	1	28	-1.0	-45.42	259.74	1.00	-44.42
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC(F)=C1	REAL250004596796	0	31	-1.0	-41.95	275.71	2.06	-39.89
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC(F)=C1	REAL250004596796	1	31	-1.0	-41.92	275.77	2.09	-39.83
O=C(C1C2C3CC1CC32)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596797	0	36	-1.0	-47.42	279.75	2.98	-44.44
O=C(C1C2C3CC1CC32)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596797	1	36	-1.0	-47.42	279.80	3.00	-44.42
CC(C)CCCOCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596798	0	43	-1.0	-49.10	342.82	3.50	-45.60
CC(C)CCCOCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596798	1	43	-1.0	-49.14	342.88	3.53	-45.61
O=C(C=CC1CCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596799	0	35	-1.0	-37.86	287.08	2.97	-34.89
O=C(C=CC1CCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596799	1	35	-1.0	-37.88	287.14	2.99	-34.89
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN1C	REAL250004596800	0	35	-1.0	-48.79	287.89	2.39	-46.40
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN1C	REAL250004596800	1	35	-1.0	-48.79	287.94	2.42	-46.37
O=C(CC1=CN=NS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596801	0	29	-1.0	-51.17	264.94	-0.07	-51.24
O=C(CC1=CN=NS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596801	1	29	-1.0	-51.20	265.00	-0.05	-51.25
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596803	0	38	-1.0	-47.04	313.61	4.59	-42.45
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596803	1	38	-1.0	-47.03	313.67	4.62	-42.41
CC(CC(=O)OC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004596807	0	43	-1.0	-52.24	348.91	4.38	-47.86
CC(CC(=O)OC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004596807	1	43	-1.0	-52.23	348.96	4.40	-47.83
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)CC1	REAL250004596809	0	31	-1.0	-58.55	266.50	0.81	-57.74
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)CC1	REAL250004596809	1	31	-1.0	-58.58	266.56	0.82	-57.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCS(=O)CC1	REAL250004596810	0	31	-1.0	-48.19	277.34	0.75	-47.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCS(=O)CC1	REAL250004596810	1	31	-1.0	-48.17	277.40	0.76	-47.41
CC1=C(C)SC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004596811	0	31	-1.0	-46.17	278.13	2.81	-43.36
CC1=C(C)SC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004596811	1	31	-1.0	-46.19	278.19	2.83	-43.36
CCN(CC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004596814	0	35	-1.0	-53.40	295.82	1.38	-52.02
CCN(CC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004596814	1	35	-1.0	-53.35	295.87	1.39	-51.96
CCN(CC(=O)NC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596815	0	35	-1.0	-42.75	303.25	1.88	-40.87
CCN(CC(=O)NC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596815	1	35	-1.0	-42.73	303.32	1.88	-40.85
COC(=O)C(C)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004596816	0	38	-1.0	-49.34	312.36	4.70	-44.64
COC(=O)C(C)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004596816	1	38	-1.0	-49.37	312.42	4.71	-44.66
CN(C)C1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004596817	0	40	-1.0	-47.46	337.71	2.54	-44.92
CN(C)C1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004596817	1	40	-1.0	-47.50	337.76	2.56	-44.94
NC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596818	0	35	-1.0	-57.31	294.62	-1.41	-58.72
NC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596818	1	35	-1.0	-57.29	294.68	-1.40	-58.69
COC(=O)CCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004596819	0	40	-1.0	-48.55	322.68	3.06	-45.49
COC(=O)CCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004596819	1	40	-1.0	-48.51	322.74	3.08	-45.43
O=C(CCCC1=N[N-]N=N1)NCCCNC1=CC=CC=C1	REAL250004596820	0	40	-1.0	-48.44	335.70	3.17	-45.27
O=C(CCCC1=NN=N[N-]1)NCCCNC1=CC=CC=C1	REAL250004596820	1	40	-1.0	-48.41	335.76	3.19	-45.22
COC(=O)C1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(C)N1	REAL250004596821	0	36	-1.0	-48.33	311.39	2.42	-45.91
COC(=O)C1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(C)N1	REAL250004596821	1	36	-1.0	-48.33	311.45	2.44	-45.89
CSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004596826	0	36	-1.0	-48.14	319.41	5.24	-42.90
CSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004596826	1	36	-1.0	-48.12	319.47	5.25	-42.87
CC(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004596829	0	38	-1.0	-49.80	319.82	0.29	-49.51
CC(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004596829	1	38	-1.0	-49.82	319.88	0.31	-49.51
NC(=O)CN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596830	0	41	-1.0	-57.27	331.86	-2.28	-59.55
NC(=O)CN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596830	1	41	-1.0	-57.26	331.92	-2.27	-59.53
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCCC2)C1	REAL250004596832	0	45	-1.0	-47.56	327.86	6.55	-41.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCCC2)C1	REAL250004596832	1	45	-1.0	-47.52	327.92	6.56	-40.96
CN1C=CC=C(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004596833	0	32	-1.0	-62.77	279.91	2.95	-59.82
CN1C=CC=C(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004596833	1	32	-1.0	-62.79	279.96	2.96	-59.83
CN1C=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004596834	0	32	-1.0	-50.20	289.72	3.06	-47.14
CN1C=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004596834	1	32	-1.0	-50.18	289.66	3.04	-47.14
CN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004596835	0	33	-1.0	-51.06	282.65	0.60	-50.46
CN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004596835	1	33	-1.0	-51.10	282.71	0.61	-50.49
CN1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004596836	0	33	-1.0	-40.10	292.85	0.38	-39.72
CN1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004596836	1	33	-1.0	-40.07	292.92	0.38	-39.69
CC1=NNC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004596837	0	33	-1.0	-49.22	292.10	-0.74	-49.96
CC1=NNC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004596837	1	33	-1.0	-49.25	292.16	-0.73	-49.98
CC1=CN=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596838	0	34	-1.0	-53.63	291.63	5.41	-48.22
CC1=CN=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596838	1	34	-1.0	-53.52	291.40	5.39	-48.13
CC1=CN=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596839	0	31	-1.0	-35.72	276.57	2.23	-33.49
CC1=CN=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596839	1	31	-1.0	-35.72	276.64	2.23	-33.49
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC(F)=C1	REAL250004596840	0	38	-1.0	-48.16	328.49	5.10	-43.06
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC(F)=C1	REAL250004596840	1	38	-1.0	-48.18	328.55	5.11	-43.07
CC1CC2=CC=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004596842	0	39	-1.0	-48.52	310.42	6.55	-41.97
CC1CC2=CC=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004596842	1	39	-1.0	-48.56	310.48	6.56	-42.00
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004596843	0	30	-1.0	-46.29	270.65	-0.91	-47.20
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004596843	1	30	-1.0	-46.28	270.71	-0.89	-47.17
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004596844	0	30	-1.0	-37.12	281.25	-1.13	-38.25
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004596844	1	30	-1.0	-37.14	281.32	-1.11	-38.25
CN(CC(F)F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596845	0	31	-1.0	-41.80	267.91	5.43	-36.37
CN(CC(F)F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596845	1	31	-1.0	-41.65	268.01	5.45	-36.20
CN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596846	0	28	-1.0	-39.03	254.43	3.21	-35.82
CN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596846	1	28	-1.0	-39.00	254.50	3.22	-35.78
N#CC1=CC=CC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004596847	0	34	-1.0	-49.56	312.73	2.58	-46.98
N#CC1=CC=CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004596847	1	34	-1.0	-49.58	312.79	2.60	-46.98
NC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004596848	0	39	-1.0	-51.34	310.78	1.57	-49.77
NC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004596848	1	39	-1.0	-51.39	310.84	1.58	-49.81
CCC(CC)CN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004596849	0	44	-1.0	-50.91	350.28	6.59	-44.32
CCC(CC)CN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004596849	1	44	-1.0	-50.91	350.34	6.61	-44.30
CCC(CC)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596850	0	40	-1.0	-52.63	316.06	5.99	-46.64
CCC(CC)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596850	1	40	-1.0	-52.39	316.15	6.01	-46.38
CCC(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596851	0	37	-1.0	-34.86	302.52	2.99	-31.87
CCC(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596851	1	37	-1.0	-34.80	302.59	2.99	-31.81
COC(=O)CSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004596852	0	35	-1.0	-54.30	319.16	2.60	-51.70
COC(=O)CSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004596852	1	35	-1.0	-54.33	319.22	2.61	-51.72
CC1=CC=NC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596854	0	34	-1.0	-57.31	291.33	5.31	-52.00
CC1=CC=NC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596854	1	34	-1.0	-57.12	291.42	5.34	-51.78
CC1=CC=NC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596855	0	31	-1.0	-37.71	276.56	2.18	-35.53
CC1=CC=NC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596855	1	31	-1.0	-37.69	276.62	2.19	-35.50
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004596856	0	33	-1.0	-46.25	277.72	4.11	-42.14
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004596856	1	33	-1.0	-46.27	277.78	4.13	-42.14
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCS1	REAL250004596857	0	33	-1.0	-35.48	288.63	4.07	-31.41
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCS1	REAL250004596857	1	33	-1.0	-35.44	288.70	4.07	-31.37
CC(C)CC(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004596858	0	46	-1.0	-47.04	355.77	5.45	-41.59
CC(C)CC(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004596858	1	46	-1.0	-47.07	355.83	5.47	-41.60
N#CCCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004596859	0	36	-1.0	-49.70	309.12	5.53	-44.17
N#CCCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004596859	1	36	-1.0	-49.75	309.17	5.54	-44.21
N#CCCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596860	0	36	-1.0	-40.05	316.11	6.26	-33.79
N#CCCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596860	1	36	-1.0	-39.98	316.18	6.26	-33.72
N#CCCN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004596861	0	38	-1.0	-55.66	328.20	4.98	-50.68
N#CCCN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004596861	1	38	-1.0	-55.67	328.26	4.99	-50.68
CC(C)CCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004596862	0	41	-1.0	-50.82	338.64	6.05	-44.77
CC(C)CCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004596862	1	41	-1.0	-50.80	338.70	6.07	-44.73
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004596863	0	40	-1.0	-46.23	335.29	4.18	-42.05
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004596863	1	40	-1.0	-46.26	335.34	4.19	-42.07
CC1CCCC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004596864	0	38	-1.0	-45.61	287.35	4.83	-40.78
CC1CCCC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004596864	1	38	-1.0	-45.64	287.41	4.84	-40.80
CC1CCCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596865	0	38	-1.0	-37.68	295.84	4.51	-33.17
CC1CCCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596865	1	38	-1.0	-37.68	295.90	4.51	-33.17
O=C(CCCC1=N[N-]N=N1)N(C1CC1)C1CCCC1	REAL250004596866	0	39	-1.0	-46.12	289.73	5.42	-40.70
O=C(CCCC1=NN=N[N-]1)N(C1CC1)C1CCCC1	REAL250004596866	1	39	-1.0	-46.09	289.79	5.43	-40.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(C1CC1)C1CCCC1	REAL250004596867	0	39	-1.0	-35.73	292.69	5.45	-30.28
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(C1CC1)C1CCCC1	REAL250004596867	1	39	-1.0	-35.72	292.66	5.46	-30.26
CC(CC#N)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596868	0	35	-1.0	-47.53	295.85	6.36	-41.17
CC(CC#N)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596868	1	35	-1.0	-47.37	295.94	6.38	-40.99
CC(CC#N)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596869	0	32	-1.0	-44.83	281.54	4.13	-40.70
CC(CC#N)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596869	1	32	-1.0	-44.79	281.61	4.15	-40.64
COC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004596870	0	35	-1.0	-49.18	307.99	4.01	-45.17
COC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004596870	1	35	-1.0	-49.23	308.05	4.02	-45.21
CC(C)N(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004596871	0	41	-1.0	-46.14	312.54	5.78	-40.36
CC(C)N(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004596871	1	41	-1.0	-46.15	312.60	5.79	-40.36
C=CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004596872	0	38	-1.0	-38.30	305.43	6.88	-31.42
C=CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004596872	1	38	-1.0	-38.10	305.67	6.88	-31.22
C=CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004596873	0	35	-1.0	-36.01	290.69	5.13	-30.88
C=CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004596873	1	35	-1.0	-35.97	290.75	5.14	-30.83
NC(=O)CN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596874	0	41	-1.0	-50.77	317.60	-1.16	-51.93
NC(=O)CN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596874	1	41	-1.0	-50.77	317.66	-1.14	-51.91
CN1C(=S)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004596875	1	32	-1.0	-50.45	294.80	2.45	-48.00
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004596876	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004596876	1	33	-1.0	-56.70	295.41	3.80	-52.90
CCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004596877	0	38	-1.0	-53.49	313.18	3.31	-50.18
CCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004596877	1	38	-1.0	-53.50	313.23	3.32	-50.18
CCNC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004596878	0	38	-1.0	-53.05	317.30	2.22	-50.83
CCNC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004596878	1	38	-1.0	-53.10	317.36	2.24	-50.86
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C(C=CS2)C1	REAL250004596879	0	36	-1.0	-47.69	303.40	5.66	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C(C=CS2)C1	REAL250004596879	1	36	-1.0	-47.74	303.46	5.68	-42.06
COC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596880	0	34	-1.0	-49.88	297.53	4.35	-45.53
COC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596880	1	34	-1.0	-49.55	298.02	4.32	-45.23
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596881	0	31	-1.0	-37.20	283.80	1.19	-36.01
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596881	1	31	-1.0	-37.20	283.87	1.22	-35.98
O=C(CCCC1=N[N-]N=N1)NCC1=NN=CN1C1CC1	REAL250004596882	0	35	-1.0	-50.57	304.52	3.91	-46.66
O=C(CCCC1=NN=N[N-]1)NCC1=NN=CN1C1CC1	REAL250004596882	1	35	-1.0	-50.60	304.58	3.92	-46.68
CCOCCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004596883	0	38	-1.0	-45.53	310.46	3.64	-41.89
CCOCCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004596883	1	38	-1.0	-45.52	310.52	3.66	-41.86
CCOCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596884	0	38	-1.0	-35.38	317.46	4.40	-30.98
CCOCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596884	1	38	-1.0	-35.40	317.53	4.40	-31.00
NC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004596885	0	33	-1.0	-56.46	279.83	-0.50	-56.96
NC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004596885	1	33	-1.0	-56.43	279.89	-0.49	-56.92
NC(=O)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004596886	0	33	-1.0	-40.02	286.73	-0.33	-40.35
NC(=O)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004596886	1	33	-1.0	-39.99	286.80	-0.33	-40.32
CC(C)OC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004596887	0	34	-1.0	-45.34	294.61	2.22	-43.12
CC(C)OC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004596887	1	34	-1.0	-45.35	294.67	2.23	-43.12
CC(C)OC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596888	0	34	-1.0	-37.32	305.21	2.00	-35.32
CC(C)OC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596888	1	34	-1.0	-37.29	305.27	2.01	-35.28
CC1COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596889	0	41	-1.0	-49.33	321.04	-0.80	-50.13
CC1COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596889	1	41	-1.0	-49.35	321.10	-0.78	-50.13
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)C1CC1	REAL250004596890	0	32	-1.0	-50.21	267.80	4.19	-46.02
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)C1CC1	REAL250004596890	1	32	-1.0	-50.19	267.86	4.21	-45.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC(F)F)C1CC1	REAL250004596891	0	32	-1.0	-38.69	276.62	5.08	-33.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC(F)F)C1CC1	REAL250004596891	1	32	-1.0	-38.64	276.69	5.09	-33.55
CC1=NOC(C)=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596892	0	37	-1.0	-51.64	317.71	3.02	-48.62
CC1=NOC(C)=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596892	1	37	-1.0	-51.62	317.77	3.03	-48.59
CCCOC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596893	0	37	-1.0	-52.97	317.99	2.95	-50.02
CCCOC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596893	1	37	-1.0	-52.96	318.05	2.96	-50.00
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CCC1	REAL250004596895	0	42	-1.0	-45.98	337.92	6.26	-39.72
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CCC1	REAL250004596895	1	42	-1.0	-45.98	337.98	6.27	-39.71
CC(C)C1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596896	1	41	-1.0	-52.75	342.88	3.91	-48.84
CCOCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596897	0	44	-1.0	-47.26	345.60	1.91	-45.35
CCOCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596897	1	44	-1.0	-47.23	345.66	1.93	-45.30
CS(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004596898	0	34	-1.0	-59.16	305.49	1.94	-57.22
CS(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004596898	1	34	-1.0	-59.23	305.55	1.96	-57.27
O=C(CCCC1=N[N-]N=N1)N1CCN2C=NN=C2C1	REAL250004596899	0	32	-1.0	-51.25	270.56	4.30	-46.95
O=C(CCCC1=NN=N[N-]1)N1CCN2C=NN=C2C1	REAL250004596899	1	32	-1.0	-51.27	270.62	4.32	-46.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=NN=C2C1	REAL250004596900	0	32	-1.0	-43.45	277.89	4.58	-38.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=NN=C2C1	REAL250004596900	1	32	-1.0	-43.42	277.96	4.58	-38.84
CCCCOC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004596902	0	37	-1.0	-44.80	317.36	3.07	-41.73
CCCCOC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004596902	1	37	-1.0	-44.80	317.42	3.09	-41.71
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004596903	0	38	-1.0	-45.09	323.01	3.84	-41.25
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004596903	1	38	-1.0	-45.07	323.07	3.86	-41.21
CC(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596904	0	42	-1.0	-53.64	335.54	2.68	-50.96
CC(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596904	1	42	-1.0	-53.69	335.59	2.69	-51.00
O=C(CCCC1=N[N-]N=N1)NCC1COCCO1	REAL250004596905	0	34	-1.0	-47.26	285.22	-0.32	-47.58
O=C(CCCC1=NN=N[N-]1)NCC1COCCO1	REAL250004596905	1	34	-1.0	-47.25	285.28	-0.30	-47.55
O=C(NCC1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596906	0	34	-1.0	-36.97	295.53	-0.45	-37.42
O=C(NCC1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596906	1	34	-1.0	-36.97	295.60	-0.45	-37.42
CC1=CC(C)=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004596907	0	41	-1.0	-46.81	339.44	5.64	-41.17
CC1=CC(C)=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004596907	1	41	-1.0	-46.83	339.50	5.65	-41.18
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004596911	0	35	-1.0	-46.28	286.42	-1.28	-47.56
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004596911	1	35	-1.0	-46.31	286.48	-1.26	-47.57
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004596912	0	35	-1.0	-41.68	302.68	-1.20	-42.88
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004596912	1	35	-1.0	-41.63	302.75	-1.19	-42.82
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C(N)=O	REAL250004596913	0	36	-1.0	-54.83	303.85	0.82	-54.01
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C(N)=O	REAL250004596913	1	36	-1.0	-54.89	303.91	0.83	-54.06
CC(C)(C)CN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004596914	0	41	-1.0	-49.82	324.70	5.63	-44.19
CC(C)(C)CN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004596914	1	41	-1.0	-49.88	324.75	5.64	-44.24
O=C(CCCC1=N[N-]N=N1)N1CCCS(=O)(=O)CC1	REAL250004596915	0	35	-1.0	-63.40	284.49	0.94	-62.46
O=C(CCCC1=NN=N[N-]1)N1CCCS(=O)(=O)CC1	REAL250004596915	1	35	-1.0	-63.40	284.55	0.95	-62.45
CC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004596916	0	39	-1.0	-47.19	313.09	6.32	-40.87
CC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004596916	1	39	-1.0	-47.19	313.15	6.34	-40.85
CC(C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596917	0	44	-1.0	-45.95	332.89	5.30	-40.65
CC(C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596917	1	44	-1.0	-46.00	332.95	5.31	-40.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=CC=CC=C21	REAL250004596918	0	38	-1.0	-47.27	321.93	5.58	-41.69
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=CC=CC=C21	REAL250004596918	1	38	-1.0	-47.26	321.99	5.60	-41.66
CC1=NN(C(F)F)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004596919	0	35	-1.0	-52.81	311.67	2.27	-50.54
CC1=NN(C(F)F)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004596919	1	35	-1.0	-52.84	311.73	2.29	-50.55
CN1C(=S)NN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596920	0	35	-1.0	-59.88	316.92	3.06	-56.82
CN1C(=S)NN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596920	1	35	-1.0	-59.87	316.98	3.08	-56.79
CN1C=NN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596921	0	34	-1.0	-57.56	295.20	3.26	-54.30
CN1C=NN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596921	1	34	-1.0	-57.56	295.26	3.27	-54.29
CN1C=NN=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596922	0	34	-1.0	-44.52	305.79	3.05	-41.47
CN1C=NN=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596922	1	34	-1.0	-44.51	305.86	3.06	-41.45
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004596923	0	35	-1.0	-46.80	296.60	4.31	-42.49
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004596923	1	35	-1.0	-46.87	296.66	4.33	-42.54
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004596924	0	35	-1.0	-35.69	307.18	4.11	-31.58
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004596924	1	35	-1.0	-35.64	307.25	4.13	-31.51
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004596925	0	35	-1.0	-46.82	296.56	4.31	-42.51
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004596925	1	35	-1.0	-46.83	296.62	4.33	-42.50
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004596926	0	35	-1.0	-35.68	307.15	4.12	-31.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004596926	1	35	-1.0	-35.64	307.22	4.13	-31.51
O=C(CCCC1=N[N-]N=N1)NCCCN1CCCCC1=O	REAL250004596927	0	42	-1.0	-53.08	342.22	2.95	-50.13
O=C(CCCC1=NN=N[N-]1)NCCCN1CCCCC1=O	REAL250004596927	1	42	-1.0	-53.11	342.27	2.97	-50.14
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)N1CCOCC1	REAL250004596928	0	44	-1.0	-47.76	336.66	0.84	-46.92
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)N1CCOCC1	REAL250004596928	1	44	-1.0	-47.79	336.72	0.85	-46.94
CCN1C=NN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596930	0	37	-1.0	-56.42	317.63	4.18	-52.24
CCN1C=NN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596930	1	37	-1.0	-56.40	317.69	4.19	-52.21
N#CCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596931	0	35	-1.0	-60.67	307.77	5.40	-55.27
N#CCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596931	1	35	-1.0	-60.51	307.84	5.43	-55.08
N#CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596932	0	32	-1.0	-41.36	293.62	2.32	-39.04
N#CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596932	1	32	-1.0	-41.34	293.68	2.33	-39.01
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CN=C1	REAL250004596933	0	35	-1.0	-50.20	311.35	1.13	-49.07
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CN=C1	REAL250004596933	1	35	-1.0	-50.16	311.40	1.15	-49.01
C[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004596935	1	37	-1.0	-35.83	308.12	0.40	-35.43
C[N@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004596935	1	37	-1.0	-35.80	308.19	0.42	-35.38
CN1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004596935	1	37	-1.0	-35.83	308.12	0.40	-35.43
CN1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004596935	1	37	-1.0	-35.80	308.19	0.42	-35.38
CS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004596936	0	33	-1.0	-56.81	297.71	-3.39	-60.20
CS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004596936	1	33	-1.0	-56.89	297.77	-3.37	-60.26
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C)=CS1	REAL250004596937	0	37	-1.0	-47.88	318.62	2.61	-45.27
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C)=CS1	REAL250004596937	1	37	-1.0	-47.88	318.68	2.62	-45.26
CC1CCCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596938	0	38	-1.0	-53.21	303.51	6.52	-46.69
CC1CCCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596938	1	38	-1.0	-53.05	303.99	6.52	-46.53
CC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596939	0	35	-1.0	-35.17	294.40	3.04	-32.13
CC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596939	1	35	-1.0	-35.13	294.47	3.04	-32.09
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCOC1	REAL250004596941	0	36	-1.0	-53.00	289.24	4.25	-48.75
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCOC1	REAL250004596941	1	36	-1.0	-52.81	289.33	4.27	-48.54
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004596942	0	33	-1.0	-35.29	275.82	2.19	-33.10
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004596942	1	33	-1.0	-35.27	275.89	2.20	-33.07
COC(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596943	0	41	-1.0	-48.50	331.64	4.20	-44.30
COC(=O)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596943	1	41	-1.0	-48.55	331.70	4.21	-44.34
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004596944	0	31	-1.0	-46.60	282.60	1.20	-45.40
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004596944	1	31	-1.0	-46.60	282.66	1.22	-45.38
CC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004596945	0	34	-1.0	-48.41	291.75	2.17	-46.24
CC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004596945	1	34	-1.0	-48.40	291.81	2.18	-46.22
CC1=CC=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596946	0	34	-1.0	-37.95	301.72	1.94	-36.01
CC1=CC=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596946	1	34	-1.0	-37.88	301.79	1.96	-35.92
CC1=CC=CC2=C1CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004596947	0	39	-1.0	-49.73	320.83	5.30	-44.43
CC1=CC=CC2=C1CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004596947	1	39	-1.0	-49.74	320.89	5.31	-44.43
CCC(C)C(C)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004596948	0	44	-1.0	-47.56	326.45	6.32	-41.24
CCC(C)C(C)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004596948	1	44	-1.0	-47.56	326.50	6.34	-41.22
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=C(F)C=C1F	REAL250004596950	0	29	-1.0	-45.46	270.80	3.59	-41.87
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=C(F)C=C1F	REAL250004596950	1	29	-1.0	-45.47	270.85	3.61	-41.86
CCC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004596952	0	36	-1.0	-53.24	292.77	1.26	-51.98
CCC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004596952	1	36	-1.0	-53.28	292.83	1.27	-52.01
CC(C)(C)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004596953	0	43	-1.0	-46.31	338.90	4.47	-41.84
CC(C)(C)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004596953	1	43	-1.0	-46.34	338.96	4.49	-41.85
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CC=N1	REAL250004596954	0	35	-1.0	-51.38	309.95	1.30	-50.08
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CC=N1	REAL250004596954	1	35	-1.0	-51.39	310.01	1.32	-50.07
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CC=C1F	REAL250004596955	0	32	-1.0	-46.85	291.06	3.57	-43.28
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CC=C1F	REAL250004596955	1	32	-1.0	-46.85	291.12	3.58	-43.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=C(F)C=C21	REAL250004596956	0	36	-1.0	-52.60	308.81	4.80	-47.80
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=C(F)C=C21	REAL250004596956	1	36	-1.0	-52.64	308.86	4.82	-47.82
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=NNC=C1	REAL250004596957	0	33	-1.0	-52.69	295.58	-0.64	-53.33
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=NNC=C1	REAL250004596957	1	33	-1.0	-52.68	295.64	-0.62	-53.30
C[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596959	0	38	-1.0	-47.15	302.27	3.77	-43.38
C[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596959	1	38	-1.0	-47.15	302.32	3.79	-43.36
C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004596960	0	38	-1.0	-35.18	312.86	3.57	-31.61
C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004596960	1	38	-1.0	-35.13	312.92	3.59	-31.54
CC1=NC(C)=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004596961	0	37	-1.0	-50.33	326.51	2.71	-47.62
CC1=NC(C)=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004596961	1	37	-1.0	-50.35	326.57	2.72	-47.63
O=C(CCCC1=N[N-]N=N1)NCCN1CCSCC1	REAL250004596962	1	38	-1.0	-48.06	315.84	1.25	-46.81
O=C(CCCC1=NN=N[N-]1)NCCN1CCSCC1	REAL250004596962	1	38	-1.0	-48.01	315.89	1.27	-46.74
COCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596963	0	39	-1.0	-46.75	310.62	3.33	-43.42
COCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596963	1	39	-1.0	-46.72	310.68	3.34	-43.38
CCN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596964	0	38	-1.0	-54.04	306.97	7.47	-46.57
CCN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596964	1	38	-1.0	-52.46	307.57	7.49	-44.97
CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596965	0	35	-1.0	-35.62	295.19	5.77	-29.85
CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596965	1	35	-1.0	-35.60	295.26	5.78	-29.82
COCCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004596966	0	41	-1.0	-51.92	344.22	3.45	-48.47
COCCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004596966	1	41	-1.0	-51.95	344.28	3.47	-48.48
CC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004596967	0	35	-1.0	-49.48	310.61	6.18	-43.30
CC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004596967	1	35	-1.0	-49.50	310.67	6.20	-43.30
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CNC1=O	REAL250004596968	0	34	-1.0	-56.25	300.58	-1.59	-57.84
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CNC1=O	REAL250004596968	1	34	-1.0	-56.29	300.64	-1.58	-57.87
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004596969	0	38	-1.0	-46.11	301.01	3.83	-42.28
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004596969	1	38	-1.0	-46.13	301.07	3.84	-42.29
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004596970	0	38	-1.0	-34.69	311.60	3.62	-31.07
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004596970	1	38	-1.0	-34.66	311.67	3.62	-31.04
O=C(CCCC1=N[N-]N=N1)NCCCN1C(=O)CNC1=O	REAL250004596971	0	37	-1.0	-54.81	322.08	-0.83	-55.64
O=C(CCCC1=NN=N[N-]1)NCCCN1C(=O)CNC1=O	REAL250004596971	1	37	-1.0	-54.81	322.14	-0.82	-55.63
CCCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596972	0	45	-1.0	-49.55	347.48	5.42	-44.13
CCCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596972	1	45	-1.0	-49.54	347.54	5.43	-44.11
CN(CCNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004596973	0	36	-1.0	-49.12	310.41	0.65	-48.47
CN(CCNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004596973	1	36	-1.0	-49.15	310.47	0.66	-48.49
O=C(CCCC1=N[N-]N=N1)NCC1CCSCC1	REAL250004596974	0	36	-1.0	-47.19	300.92	3.62	-43.57
O=C(CCCC1=NN=N[N-]1)NCC1CCSCC1	REAL250004596974	1	36	-1.0	-47.20	300.98	3.64	-43.56
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004596976	0	40	-1.0	-45.17	328.12	3.45	-41.72
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004596976	1	40	-1.0	-45.19	328.18	3.47	-41.72
O=C(CCCC1=N[N-]N=N1)NCCOCC1CC1	REAL250004596977	0	36	-1.0	-47.10	306.30	2.10	-45.00
O=C(CCCC1=NN=N[N-]1)NCCOCC1CC1	REAL250004596977	1	36	-1.0	-47.09	306.36	2.12	-44.97
O=C(NCCOCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596978	0	36	-1.0	-36.82	316.89	1.91	-34.91
O=C(NCCOCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596978	1	36	-1.0	-36.82	316.96	1.91	-34.91
CCSC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004596980	0	42	-1.0	-46.83	334.93	6.55	-40.28
CCSC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004596980	1	42	-1.0	-46.86	334.98	6.56	-40.30
CC(CS(C)(=O)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004596981	0	37	-1.0	-63.17	313.39	1.48	-61.69
CC(CS(C)(=O)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004596981	1	37	-1.0	-63.24	313.45	1.49	-61.75
CC1(C)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596982	0	38	-1.0	-52.51	315.08	6.05	-46.46
CC1(C)CC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596982	1	38	-1.0	-52.32	315.56	6.05	-46.27
CC1(C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596983	0	35	-1.0	-34.77	301.33	2.94	-31.83
CC1(C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596983	1	35	-1.0	-34.77	301.40	2.95	-31.82
CN(CCNS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004596984	0	36	-1.0	-60.58	315.81	-1.26	-61.84
CN(CCNS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004596984	1	36	-1.0	-60.54	315.87	-1.24	-61.78
CC(CC#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004596985	0	32	-1.0	-60.89	285.01	4.73	-56.16
CC(CC#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004596985	1	32	-1.0	-60.73	285.09	4.75	-55.98
CC(CC#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596986	0	29	-1.0	-43.44	270.86	1.64	-41.80
CC(CC#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596986	1	29	-1.0	-43.43	270.93	1.65	-41.78
COCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004596987	0	36	-1.0	-56.84	301.86	-2.78	-59.62
COCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004596987	1	36	-1.0	-56.82	301.92	-2.76	-59.58
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004596989	0	34	-1.0	-49.07	300.43	3.32	-45.75
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004596989	1	34	-1.0	-49.08	300.49	3.33	-45.75
CCC1=CC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004596990	0	38	-1.0	-48.56	310.61	6.67	-41.89
CCC1=CC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004596990	1	38	-1.0	-48.60	310.67	6.69	-41.91
CCC1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004596991	0	35	-1.0	-46.57	302.35	1.16	-45.41
CCC1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004596991	1	35	-1.0	-46.57	302.40	1.17	-45.40
CCC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004596991	1	35	-1.0	-48.25	302.40	1.15	-47.10
CCC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004596991	1	35	-1.0	-48.26	302.46	1.17	-47.09
CCC1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004596992	0	35	-1.0	-36.97	312.94	0.95	-36.02
CCC1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004596992	1	35	-1.0	-36.92	313.01	0.95	-35.97
CCC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004596992	1	35	-1.0	-38.02	313.00	0.95	-37.07
CCC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004596992	1	35	-1.0	-38.02	313.06	0.95	-37.07
CC(C)N1C=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004596993	0	41	-1.0	-48.51	340.99	3.44	-45.07
CC(C)N1C=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004596993	1	41	-1.0	-48.48	340.93	3.42	-45.06
CSC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004596994	0	36	-1.0	-49.31	315.31	6.12	-43.19
CSC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004596994	1	36	-1.0	-49.34	315.37	6.13	-43.21
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004596995	0	41	-1.0	-46.88	327.92	5.34	-41.54
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004596995	1	41	-1.0	-46.91	327.98	5.36	-41.55
COC(=O)CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004596996	0	40	-1.0	-49.38	325.63	4.64	-44.74
COC(=O)CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004596996	1	40	-1.0	-49.44	325.68	4.66	-44.78
COCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596997	0	43	-1.0	-50.14	344.69	2.84	-47.30
COCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596997	1	43	-1.0	-50.14	344.74	2.85	-47.29
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCC1	REAL250004596998	0	33	-1.0	-46.35	283.23	1.21	-45.14
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCC1	REAL250004596998	1	33	-1.0	-46.37	283.29	1.22	-45.15
CC1=CC=C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004597000	0	39	-1.0	-49.82	311.28	6.74	-43.08
CC1=CC=C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004597000	1	39	-1.0	-49.82	311.34	6.75	-43.07
CNC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004597001	0	39	-1.0	-55.26	314.43	1.77	-53.49
CNC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004597001	1	39	-1.0	-55.25	314.49	1.79	-53.46
COCCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004597003	0	39	-1.0	-51.34	331.80	2.79	-48.55
COCCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004597003	1	39	-1.0	-51.34	331.74	2.78	-48.56
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004597005	0	41	-1.0	-47.17	310.46	5.87	-41.30
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004597005	1	41	-1.0	-47.23	310.52	5.88	-41.35
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004597007	0	34	-1.0	-45.21	295.44	1.80	-43.41
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004597007	1	34	-1.0	-45.25	295.38	1.78	-43.47
CC1=CSC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004597008	0	37	-1.0	-45.82	316.44	2.51	-43.31
CC1=CSC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004597008	1	37	-1.0	-45.83	316.49	2.52	-43.31
CSC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004597009	0	32	-1.0	-52.52	289.64	4.03	-48.49
CSC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004597009	1	32	-1.0	-52.52	289.58	4.01	-48.51
CC(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004597010	0	37	-1.0	-46.65	316.52	2.92	-43.73
CC(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004597010	1	37	-1.0	-46.66	316.58	2.93	-43.73
CC1=CC=CC2=C1CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004597011	0	39	-1.0	-50.05	307.74	6.62	-43.43
CC1=CC=CC2=C1CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004597011	1	39	-1.0	-50.02	307.80	6.63	-43.39
COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004597012	0	39	-1.0	-47.89	310.58	3.31	-44.58
COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004597012	1	39	-1.0	-47.89	310.63	3.32	-44.57
COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004597014	0	39	-1.0	-47.89	310.58	3.31	-44.58
COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004597014	1	39	-1.0	-47.89	310.63	3.32	-44.57
CC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004597016	0	42	-1.0	-46.92	339.30	7.11	-39.81
CC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004597016	1	42	-1.0	-46.94	339.36	7.13	-39.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(F)=C1F	REAL250004597017	0	35	-1.0	-52.05	312.33	4.34	-47.71
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(F)=C1F	REAL250004597017	1	35	-1.0	-52.13	312.39	4.36	-47.77
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(F)C=C1F	REAL250004597018	0	35	-1.0	-49.65	312.45	4.35	-45.30
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(F)C=C1F	REAL250004597018	1	35	-1.0	-49.66	312.50	4.36	-45.30
CCS(=O)(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004597019	0	37	-1.0	-59.28	321.56	0.28	-59.00
CCS(=O)(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004597019	1	37	-1.0	-59.29	321.62	0.30	-58.99
O=C(CCCC1=N[N-]N=N1)NC1CCC(=O)NC1	REAL250004597020	0	33	-1.0	-51.17	278.33	-0.82	-51.99
O=C(CCCC1=NN=N[N-]1)NC1CCC(=O)NC1	REAL250004597020	1	33	-1.0	-51.22	278.39	-0.81	-52.03
O=C(NC1CCC(=O)NC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597021	0	33	-1.0	-38.98	288.91	-1.01	-39.99
O=C(NC1CCC(=O)NC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004597021	1	33	-1.0	-38.92	288.97	-1.01	-39.93
NC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004597022	0	39	-1.0	-47.11	316.41	-0.20	-47.31
NC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004597022	1	39	-1.0	-47.15	316.47	-0.18	-47.33
CC1=NNC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004597023	0	35	-1.0	-51.12	305.29	3.32	-47.80
CC1=NNC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004597023	1	35	-1.0	-50.91	305.39	3.34	-47.57
CC1=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1	REAL250004597023	1	35	-1.0	-54.20	305.29	3.32	-50.88
CC1=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1	REAL250004597023	1	35	-1.0	-53.96	305.39	3.34	-50.62
CC1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004597024	0	32	-1.0	-37.16	291.51	0.21	-36.95
CC1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004597024	1	32	-1.0	-37.11	291.58	0.21	-36.90
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004597024	1	32	-1.0	-38.57	291.51	0.21	-38.36
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004597024	1	32	-1.0	-38.52	291.58	0.21	-38.31
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CCC2)CC1	REAL250004597025	1	41	-1.0	-46.31	319.30	3.26	-43.05
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CCC2)CC1	REAL250004597025	1	41	-1.0	-46.28	319.36	3.28	-43.00
CCC(CC)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004597026	0	40	-1.0	-46.68	309.09	3.93	-42.75
CCC(CC)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004597026	1	40	-1.0	-46.69	309.15	3.95	-42.74
CCC(CC)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597027	0	40	-1.0	-35.18	320.00	3.74	-31.44
CCC(CC)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004597027	1	40	-1.0	-35.13	320.06	3.76	-31.37
C=CCN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004597028	0	45	-1.0	-46.47	348.68	7.30	-39.17
C=CCN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004597028	1	45	-1.0	-46.52	348.74	7.32	-39.20
C#CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004597029	0	35	-1.0	-54.54	310.41	4.13	-50.41
C#CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004597029	1	35	-1.0	-54.60	310.46	4.14	-50.46
C#CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004597030	0	35	-1.0	-51.31	310.15	4.13	-47.18
C#CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004597030	1	35	-1.0	-51.38	310.21	4.14	-47.24
CC(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004597031	0	34	-1.0	-59.61	300.09	-0.61	-60.22
CC(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004597031	1	34	-1.0	-59.62	300.15	-0.60	-60.22
C#CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004597032	0	30	-1.0	-54.70	271.20	4.64	-50.06
C#CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004597032	1	30	-1.0	-54.54	271.27	4.66	-49.88
COCCN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004597033	0	38	-1.0	-49.43	324.67	3.12	-46.31
COCCN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004597033	1	38	-1.0	-49.41	324.73	3.13	-46.28
CN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)CC1	REAL250004597034	0	37	-1.0	-61.40	305.75	2.07	-59.33
CN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)CC1	REAL250004597034	1	37	-1.0	-61.40	305.81	2.08	-59.32
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004597035	0	38	-1.0	-48.64	323.38	4.63	-44.01
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004597035	1	38	-1.0	-48.71	323.44	4.64	-44.07
CCC(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004597036	0	41	-1.0	-45.50	318.43	0.76	-44.74
CCC(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004597036	1	41	-1.0	-45.46	318.49	0.77	-44.69
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COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004597038	0	37	-1.0	-54.76	327.90	2.57	-52.19
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004597038	1	37	-1.0	-54.76	327.95	2.59	-52.17
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CC(CCC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004597043	1	47	-1.0	-46.77	362.68	6.21	-40.56
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COC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004597045	1	42	-1.0	-48.12	315.25	3.98	-44.14
CC1CC(C2=CC=CC=C2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004597046	0	42	-1.0	-46.41	336.08	6.96	-39.45
CC1CC(C2=CC=CC=C2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004597046	1	42	-1.0	-46.46	336.14	6.98	-39.48
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CC(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004597056	0	41	-1.0	-46.56	312.66	5.34	-41.22
CC(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004597056	1	41	-1.0	-46.59	312.72	5.36	-41.23
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CCN(C(=O)CCCC1=NN=N[N-]1)C1=NC(C)=CS1	REAL250004597057	1	34	-1.0	-53.70	297.56	5.00	-48.70
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CC1(C)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004597061	0	38	-1.0	-55.69	297.41	6.69	-49.00
CC1(C)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004597061	1	38	-1.0	-55.50	297.49	6.69	-48.81
CC1(C)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597062	0	35	-1.0	-36.59	285.17	4.42	-32.17
CC1(C)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004597062	1	35	-1.0	-36.58	285.24	4.43	-32.15
CC1CC(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004597063	0	36	-1.0	-51.05	285.04	0.85	-50.20
CC1CC(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004597063	1	36	-1.0	-51.08	285.09	0.87	-50.21
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C=CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004597067	1	36	-1.0	-35.03	298.60	4.95	-30.08
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CC(C)(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004597070	0	47	-1.0	-47.13	341.45	6.70	-40.43
CC(C)(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004597070	1	47	-1.0	-47.17	341.51	6.71	-40.46
CC(CCC1=CC=CN1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004597071	0	42	-1.0	-48.42	346.56	5.41	-43.01
CC(CCC1=CC=CN1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004597071	1	42	-1.0	-48.46	346.62	5.42	-43.04
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL250004597072	0	31	-1.0	-36.01	280.32	2.00	-34.01
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL250004597072	1	31	-1.0	-35.95	280.39	2.02	-33.93
CC(C)(C)S(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004597073	0	39	-1.0	-57.38	329.71	1.03	-56.35
CC(C)(C)S(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004597073	1	39	-1.0	-57.44	329.76	1.05	-56.39
COC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004597074	0	33	-1.0	-54.71	280.55	3.54	-51.17
COC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004597074	1	33	-1.0	-53.92	281.23	3.49	-50.43
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004597075	0	30	-1.0	-36.47	268.32	1.04	-35.43
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004597075	1	30	-1.0	-36.45	268.39	1.06	-35.39
CC(C)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004597076	0	41	-1.0	-44.98	302.06	5.24	-39.74
CC(C)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004597076	1	41	-1.0	-45.02	302.12	5.26	-39.76
CCN1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004597077	0	41	-1.0	-46.65	328.62	-0.27	-46.92
CCN1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004597077	1	41	-1.0	-46.67	328.68	-0.26	-46.93
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CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004597079	0	36	-1.0	-47.06	291.85	1.27	-45.79
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004597079	1	36	-1.0	-47.07	291.90	1.28	-45.79
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COC(=O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597197	0	33	-1.0	-53.80	293.58	2.98	-50.82
COC(=O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597197	1	33	-1.0	-53.77	293.64	3.00	-50.77
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CCC(CC)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597199	0	39	-1.0	-44.04	314.30	3.93	-40.11
CCC(CC)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597199	1	39	-1.0	-44.02	314.35	3.95	-40.07
CC1=NNC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597200	0	34	-1.0	-49.05	296.96	1.48	-47.57
CC1=NNC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597200	1	34	-1.0	-49.04	297.02	1.50	-47.54
CC1=CNC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597201	0	35	-1.0	-49.85	302.73	2.99	-46.86
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CSC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597202	1	34	-1.0	-47.59	303.21	3.13	-44.46
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COC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597211	0	34	-1.0	-48.33	293.80	2.12	-46.21
COC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597211	1	34	-1.0	-48.33	293.86	2.13	-46.20
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COC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597214	0	34	-1.0	-48.33	293.80	2.12	-46.21
COC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597214	1	34	-1.0	-48.33	293.86	2.13	-46.20
CC(C)OCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597215	0	37	-1.0	-48.62	316.49	3.10	-45.52
CC(C)OCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597215	1	37	-1.0	-48.62	316.55	3.12	-45.50
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COC(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597220	0	37	-1.0	-46.84	314.45	2.65	-44.19
COC(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597220	1	37	-1.0	-46.86	314.51	2.67	-44.19
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CN(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597226	0	35	-1.0	-45.14	294.87	0.47	-44.67
CN(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597226	1	35	-1.0	-45.12	294.93	0.49	-44.63
CN1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL250004597227	0	34	-1.0	-47.75	302.71	2.24	-45.51
CN1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL250004597227	1	34	-1.0	-47.79	302.65	2.23	-45.56
CCCC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597228	0	39	-1.0	-44.98	320.60	4.18	-40.80
CCCC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597228	1	39	-1.0	-44.94	320.65	4.20	-40.74
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CC(C#N)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597231	1	31	-1.0	-52.89	280.46	2.42	-50.47
CC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1	REAL250004597232	0	34	-1.0	-46.98	302.00	1.82	-45.16
CC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1	REAL250004597232	1	34	-1.0	-46.97	301.94	1.80	-45.17
COCC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597233	0	37	-1.0	-44.19	314.29	1.90	-42.29
COCC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597233	1	37	-1.0	-44.20	314.35	1.92	-42.28
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COC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597237	0	37	-1.0	-48.60	306.14	2.58	-46.02
COC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597237	1	37	-1.0	-48.58	306.19	2.59	-45.99
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CCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL250004597242	0	37	-1.0	-44.40	314.68	4.11	-40.29
CCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL250004597242	1	37	-1.0	-44.40	314.74	4.12	-40.28
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CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCC1	REAL250004597249	0	37	-1.0	-45.00	305.61	3.96	-41.04
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCC1	REAL250004597249	1	37	-1.0	-44.99	305.67	3.97	-41.02
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CO[C@H](C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597415	1	34	-1.0	-48.43	294.26	2.13	-46.30
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CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1	REAL250004597417	1	35	-1.0	-46.81	306.06	2.79	-44.02
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1CC1(F)F	REAL250004597418	0	31	-1.0	-46.10	284.89	3.07	-43.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1CC1(F)F	REAL250004597418	1	31	-1.0	-46.09	284.95	3.08	-43.01
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004597419	0	38	-1.0	-45.14	321.58	4.74	-40.40
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004597419	1	38	-1.0	-45.14	321.64	4.75	-40.39
C[C@H]1C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@H]1C	REAL250004597420	0	37	-1.0	-44.07	302.38	4.08	-39.99
C[C@H]1C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@H]1C	REAL250004597420	1	37	-1.0	-44.06	302.44	4.09	-39.97
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[N-]=[N+]=NCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597422	1	29	-1.0	-48.05	270.75	-1.91	-49.96
[N-]=[N+]=NCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597423	0	32	-1.0	-44.64	291.78	-1.26	-45.90
[N-]=[N+]=NCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597423	1	32	-1.0	-44.63	291.84	-1.24	-45.87
C#CCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597424	0	33	-1.0	-51.63	302.00	2.91	-48.72
C#CCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597424	1	33	-1.0	-51.63	302.06	2.92	-48.71
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004597425	0	33	-1.0	-48.28	295.03	4.07	-44.21
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597425	1	33	-1.0	-48.29	295.08	4.08	-44.21
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N1	REAL250004597426	0	32	-1.0	-52.47	286.60	-1.18	-53.65
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O=C(C=CC1CCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597427	1	38	-1.0	-44.87	323.67	4.85	-40.02
N#CC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004597428	0	34	-1.0	-52.86	283.77	0.55	-52.31
N#CC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004597428	1	34	-1.0	-52.87	283.83	0.56	-52.31
N#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL250004597429	0	34	-1.0	-38.80	294.36	0.35	-38.45
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C=CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004597430	0	38	-1.0	-47.20	320.43	3.76	-43.44
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004597430	1	38	-1.0	-47.19	320.49	3.78	-43.41
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004597431	0	30	-1.0	-48.84	270.66	-1.04	-49.88
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004597431	1	30	-1.0	-48.85	270.71	-1.03	-49.88
CC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL250004597432	0	30	-1.0	-38.66	281.25	-1.25	-39.91
CC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL250004597432	1	30	-1.0	-38.63	281.31	-1.24	-39.87
CCCC1SCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004597433	0	36	-1.0	-46.79	301.26	4.77	-42.02
CCCC1SCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004597433	1	36	-1.0	-46.83	301.32	4.79	-42.04
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004597434	0	37	-1.0	-48.73	302.23	4.90	-43.83
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004597434	1	37	-1.0	-48.74	302.29	4.92	-43.82
CCSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004597436	0	36	-1.0	-52.18	314.67	5.22	-46.96
CCSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004597436	1	36	-1.0	-52.18	314.73	5.24	-46.94
CC(C)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004597437	0	42	-1.0	-46.16	319.62	3.68	-42.48
CC(C)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004597437	1	42	-1.0	-46.19	319.68	3.70	-42.49
CCN1C=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004597438	0	38	-1.0	-48.49	321.59	4.28	-44.21
CCN1C=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004597438	1	38	-1.0	-48.46	321.53	4.26	-44.20
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CN1C=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004597443	0	38	-1.0	-48.97	311.37	2.54	-46.43
CN1C=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004597443	1	38	-1.0	-48.96	311.32	2.53	-46.43
CC1CCCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004597444	0	41	-1.0	-46.81	311.71	5.96	-40.85
CC1CCCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004597444	1	41	-1.0	-46.81	311.77	5.98	-40.83
COCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004597445	0	37	-1.0	-48.25	302.85	1.20	-47.05
COCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004597445	1	37	-1.0	-48.24	302.90	1.21	-47.03
CC(C#N)(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004597447	0	42	-1.0	-51.71	326.81	4.23	-47.48
CC(C#N)(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004597447	1	42	-1.0	-51.76	326.87	4.25	-47.51
CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004597448	0	31	-1.0	-47.10	285.79	1.41	-45.69
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004597448	1	31	-1.0	-47.14	285.84	1.42	-45.72
CC(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004597449	0	42	-1.0	-47.87	331.90	4.36	-43.51
CC(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004597449	1	42	-1.0	-47.85	331.96	4.37	-43.48
CNC(=O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004597450	0	35	-1.0	-64.47	303.54	1.63	-62.84
CNC(=O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004597450	1	35	-1.0	-64.30	303.60	1.65	-62.65
CNC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597451	0	32	-1.0	-42.48	289.38	-1.46	-43.94
CNC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004597451	1	32	-1.0	-42.50	289.45	-1.44	-43.94
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CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004597453	0	40	-1.0	-46.80	318.94	3.96	-42.84
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004597453	1	40	-1.0	-46.81	318.99	3.97	-42.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004597454	0	38	-1.0	-46.74	303.42	3.89	-42.85
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004597454	1	38	-1.0	-46.76	303.48	3.91	-42.85
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004597455	0	38	-1.0	-35.19	312.53	3.67	-31.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004597455	1	38	-1.0	-35.18	312.59	3.68	-31.50
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CCC(CC)(CC)NC(=O)CCCC1=N[N-]N=N1	REAL250004597458	0	40	-1.0	-46.39	300.20	4.08	-42.31
CCC(CC)(CC)NC(=O)CCCC1=NN=N[N-]1	REAL250004597458	1	40	-1.0	-46.41	300.25	4.09	-42.32
CCC(CC)(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597459	0	40	-1.0	-35.45	310.78	3.88	-31.57
CCC(CC)(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004597459	1	40	-1.0	-35.39	310.85	3.88	-31.51
CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004597460	0	40	-1.0	-38.11	307.91	7.10	-31.01
CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004597460	1	40	-1.0	-37.98	308.01	7.12	-30.86
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004597461	0	37	-1.0	-35.59	294.55	4.84	-30.75
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COCC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004597462	1	38	-1.0	-45.33	303.04	1.60	-43.73
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004597463	0	38	-1.0	-35.82	313.12	1.38	-34.44
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004597463	1	38	-1.0	-35.82	313.20	1.40	-34.42
CCOC1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004597464	0	43	-1.0	-49.83	346.13	3.82	-46.01
CCOC1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004597464	1	43	-1.0	-49.87	346.19	3.83	-46.04
COC(=O)C(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL250004597465	0	43	-1.0	-51.60	348.48	4.04	-47.56
COC(=O)C(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL250004597465	1	43	-1.0	-51.59	348.54	4.05	-47.54
CC(C)CC(NC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004597466	0	42	-1.0	-48.29	337.04	6.07	-42.22
CC(C)CC(NC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004597466	1	42	-1.0	-48.30	337.09	6.09	-42.21
CC(C)CC(NC(=O)CCC1=CC=CS1)C1=N[N-]N=N1	REAL250004597467	0	38	-1.0	-45.25	327.70	4.78	-40.47
CC(C)CC(NC(=O)CCC1=CC=CS1)C1=NN=N[N-]1	REAL250004597467	1	38	-1.0	-45.26	327.76	4.80	-40.46
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CC(C)CC(NC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004597469	0	35	-1.0	-47.68	297.87	4.28	-43.40
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CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597470	0	38	-1.0	-47.87	312.90	4.83	-43.04
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CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=N[N-]N=N1	REAL250004597471	0	34	-1.0	-41.71	306.14	2.87	-38.84
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=NN=N[N-]1	REAL250004597471	1	34	-1.0	-41.71	306.20	2.88	-38.83
CC(C)CC(NC(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004597472	0	35	-1.0	-48.80	304.08	4.70	-44.10
CC(C)CC(NC(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004597472	1	35	-1.0	-48.81	304.14	4.70	-44.11
CC(C)CC(NC(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004597473	0	34	-1.0	-48.26	288.77	2.47	-45.79
CC(C)CC(NC(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004597473	1	34	-1.0	-48.25	288.71	2.45	-45.80
CC1=CC=C(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597474	0	39	-1.0	-47.06	330.62	4.40	-42.66
CC1=CC=C(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597474	1	39	-1.0	-47.03	330.68	4.41	-42.62
CC(C)CC(NC(=O)C1CC2C=CC1C2)C1=N[N-]N=N1	REAL250004597475	0	40	-1.0	-45.83	314.68	4.59	-41.24
CC(C)CC(NC(=O)C1CC2C=CC1C2)C1=NN=N[N-]1	REAL250004597475	1	40	-1.0	-45.81	314.74	4.61	-41.20
CC1=CC=CC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597476	0	41	-1.0	-46.77	332.95	5.34	-41.43
CC1=CC=CC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597476	1	41	-1.0	-46.76	333.00	5.35	-41.41
CC(C)CC(NC(=O)C1=COCCO1)C1=N[N-]N=N1	REAL250004597477	0	35	-1.0	-49.96	289.66	1.81	-48.15
CC(C)CC(NC(=O)C1=COCCO1)C1=NN=N[N-]1	REAL250004597477	1	35	-1.0	-49.96	289.71	1.82	-48.14
CC(C)CC(NC(=O)C1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004597478	0	35	-1.0	-45.70	296.16	1.12	-44.58
CC(C)CC(NC(=O)C1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004597478	1	35	-1.0	-45.74	296.22	1.14	-44.60
CC(C)CC(NC(=O)CN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004597479	0	38	-1.0	-62.18	320.29	3.46	-58.72
CC(C)CC(NC(=O)CN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004597479	1	38	-1.0	-62.20	320.35	3.47	-58.73
CC1=CC=C(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004597480	0	42	-1.0	-46.81	347.44	6.04	-40.77
CC1=CC=C(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004597480	1	42	-1.0	-46.77	347.49	6.06	-40.71
CC(C)CC(NC(=O)C1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004597481	0	34	-1.0	-49.66	299.27	2.87	-46.79
CC(C)CC(NC(=O)C1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004597481	1	34	-1.0	-49.67	299.21	2.86	-46.81
CC(C)CC(NC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597482	0	35	-1.0	-47.60	291.46	4.21	-43.39
CC(C)CC(NC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597482	1	35	-1.0	-47.64	291.52	4.22	-43.42
CC(C)CC(NC(=O)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004597483	0	38	-1.0	-51.46	321.60	4.89	-46.57
CC(C)CC(NC(=O)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004597483	1	38	-1.0	-51.49	321.66	4.91	-46.58
CC(C)CC(NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597484	0	41	-1.0	-45.43	337.52	5.64	-39.79
CC(C)CC(NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597484	1	41	-1.0	-45.49	337.57	5.66	-39.83
CC(C)CC(NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004597485	0	41	-1.0	-46.32	317.29	4.42	-41.90
CC(C)CC(NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004597485	1	41	-1.0	-46.32	317.34	4.43	-41.89
CC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597486	0	38	-1.0	-54.92	316.86	0.21	-54.71
CC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597486	1	38	-1.0	-54.88	316.92	0.22	-54.66
CC(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597487	0	40	-1.0	-45.17	316.68	3.91	-41.26
CC(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597487	1	40	-1.0	-45.22	316.73	3.92	-41.30
CC(C)CC(NC(=O)C1CCCO1)C1=N[N-]N=N1	REAL250004597488	0	36	-1.0	-50.01	292.08	2.46	-47.55
CC(C)CC(NC(=O)C1CCCO1)C1=NN=N[N-]1	REAL250004597488	1	36	-1.0	-50.03	292.14	2.48	-47.55
CC(C)CC(NC(=O)CN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL250004597489	0	37	-1.0	-54.23	316.54	-0.61	-54.84
CC(C)CC(NC(=O)CN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL250004597489	1	37	-1.0	-54.22	316.60	-0.60	-54.82
CC(C)CC(NC(=O)C1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004597490	0	39	-1.0	-48.72	324.35	1.51	-47.21
CC(C)CC(NC(=O)C1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004597490	1	39	-1.0	-48.72	324.41	1.53	-47.19
CC1=CC=CC=C1C=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597491	0	42	-1.0	-46.89	343.59	5.89	-41.00
CC1=CC=CC=C1C=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597491	1	42	-1.0	-46.88	343.65	5.91	-40.97
CC1=CC=CC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597492	0	42	-1.0	-46.86	347.44	6.03	-40.83
CC1=CC=CC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597492	1	42	-1.0	-46.88	347.50	6.04	-40.84
CC(C)CC(NC(=O)CN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004597493	0	38	-1.0	-54.84	321.84	1.90	-52.94
CC(C)CC(NC(=O)CN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004597493	1	38	-1.0	-54.85	321.89	1.91	-52.94
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1C	REAL250004597494	0	42	-1.0	-50.34	336.76	4.73	-45.61
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1C	REAL250004597494	1	42	-1.0	-50.34	336.82	4.75	-45.59
CC1=NC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=CS1	REAL250004597495	0	37	-1.0	-52.51	321.61	2.73	-49.78
CC1=NC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=CS1	REAL250004597495	1	37	-1.0	-52.50	321.67	2.74	-49.76
CSCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597496	0	35	-1.0	-43.51	300.84	3.09	-40.42
CSCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597496	1	35	-1.0	-43.52	300.90	3.11	-40.41
CC(C)CC(NC(=O)CSC(C)(C)C)C1=N[N-]N=N1	REAL250004597497	0	41	-1.0	-46.93	335.51	4.27	-42.66
CC(C)CC(NC(=O)CSC(C)(C)C)C1=NN=N[N-]1	REAL250004597497	1	41	-1.0	-46.93	335.57	4.29	-42.64
CC(C)CC(NC(=O)C1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004597498	0	37	-1.0	-43.19	314.67	1.33	-41.86
CC(C)CC(NC(=O)C1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004597498	1	37	-1.0	-43.17	314.72	1.34	-41.83
CC(C)CC(NC(=O)C1=CC=[N+]([O-])C=C1)C1=N[N-]N=N1	REAL250004597499	0	35	-1.0	-50.31	298.99	2.81	-47.50
CC(C)CC(NC(=O)C1=CC=[N+]([O-])C=C1)C1=NN=N[N-]1	REAL250004597499	1	35	-1.0	-50.34	299.04	2.82	-47.52
CC(C)CC(NC(=O)CCC1CCCCC1)C1=N[N-]N=N1	REAL250004597500	0	47	-1.0	-45.11	358.26	5.85	-39.26
CC(C)CC(NC(=O)CCC1CCCCC1)C1=NN=N[N-]1	REAL250004597500	1	47	-1.0	-45.11	358.31	5.87	-39.24
CC(C)CC(NC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004597501	0	32	-1.0	-42.72	300.70	3.82	-38.90
CC(C)CC(NC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004597501	1	32	-1.0	-42.69	300.76	3.83	-38.86
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597502	0	35	-1.0	-46.08	297.60	3.03	-43.05
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597502	1	35	-1.0	-46.09	297.65	3.05	-43.04
CC(C)CC(NC(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004597503	0	36	-1.0	-49.24	312.30	4.60	-44.64
CC(C)CC(NC(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004597503	1	36	-1.0	-49.24	312.35	4.62	-44.62
CC(C)CC(NC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004597504	0	38	-1.0	-45.48	322.58	4.92	-40.56
CC(C)CC(NC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004597504	1	38	-1.0	-45.49	322.64	4.94	-40.55
CC(C)CC(NC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL250004597505	0	44	-1.0	-45.63	336.01	5.13	-40.50
CC(C)CC(NC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL250004597505	1	44	-1.0	-45.62	336.07	5.15	-40.47
CC(=O)NC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597506	0	38	-1.0	-45.93	314.33	0.39	-45.54
CC(=O)NC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597506	1	38	-1.0	-45.96	314.39	0.41	-45.55
CC(C)CC(NC(=O)C(C)NC(N)=O)C1=N[N-]N=N1	REAL250004597507	0	37	-1.0	-46.49	307.27	-2.39	-48.88
CC(C)CC(NC(=O)C(C)NC(N)=O)C1=NN=N[N-]1	REAL250004597507	1	37	-1.0	-46.51	307.33	-2.37	-48.88
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004597508	0	38	-1.0	-46.10	322.72	4.57	-41.53
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004597508	1	38	-1.0	-46.12	322.78	4.59	-41.53
CC(C)CC(NC(=O)C1=NNC(=O)C=C1)C1=N[N-]N=N1	REAL250004597509	0	34	-1.0	-42.51	293.37	-0.34	-42.85
CC(C)CC(NC(=O)C1=NNC(=O)C=C1)C1=NN=N[N-]1	REAL250004597509	1	34	-1.0	-42.52	293.43	-0.32	-42.84
CC(C)CC(NC(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004597510	0	38	-1.0	-46.07	322.49	4.95	-41.12
CC(C)CC(NC(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004597510	1	38	-1.0	-46.02	322.54	4.96	-41.06
CC(=O)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597511	0	36	-1.0	-44.68	300.77	2.57	-42.11
CC(=O)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597511	1	36	-1.0	-44.69	300.83	2.58	-42.11
CC(C)CC(NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004597512	0	32	-1.0	-46.17	283.70	3.18	-42.99
CC(C)CC(NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004597512	1	32	-1.0	-46.09	283.75	3.20	-42.89
CC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597513	0	36	-1.0	-46.66	305.10	1.24	-45.42
CC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597513	1	36	-1.0	-46.68	305.16	1.26	-45.42
CC(C)CC(NC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004597514	0	35	-1.0	-47.93	302.49	4.33	-43.60
CC(C)CC(NC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004597514	1	35	-1.0	-47.93	302.55	4.34	-43.59
CC(C)CC(NC(=O)CC1=CSC=C1)C1=N[N-]N=N1	REAL250004597515	0	35	-1.0	-45.76	306.10	3.77	-41.99
CC(C)CC(NC(=O)CC1=CSC=C1)C1=NN=N[N-]1	REAL250004597515	1	35	-1.0	-45.76	306.16	3.79	-41.97
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004597516	0	38	-1.0	-47.44	312.90	4.84	-42.60
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004597516	1	38	-1.0	-47.39	312.96	4.85	-42.54
CC(C)CC(NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597517	0	39	-1.0	-49.46	325.04	4.72	-44.74
CC(C)CC(NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597517	1	39	-1.0	-49.46	325.10	4.74	-44.72
COC1=CC=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597518	0	39	-1.0	-52.17	318.87	4.72	-47.45
COC1=CC=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597518	1	39	-1.0	-52.18	318.93	4.74	-47.44
CC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597519	0	35	-1.0	-44.26	294.45	-0.41	-44.67
CC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597519	1	35	-1.0	-44.20	294.50	-0.40	-44.60
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=C1	REAL250004597520	0	35	-1.0	-45.92	300.60	3.86	-42.06
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=C1	REAL250004597520	1	35	-1.0	-45.89	300.66	3.88	-42.01
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597521	0	35	-1.0	-46.33	305.52	3.97	-42.36
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597521	1	35	-1.0	-46.33	305.58	3.98	-42.35
CC(C)CC(NC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004597522	0	35	-1.0	-46.97	308.23	4.67	-42.30
CC(C)CC(NC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004597522	1	35	-1.0	-46.94	308.29	4.69	-42.25
CC(C)CC(NC(=O)C=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004597523	0	36	-1.0	-47.01	308.66	3.57	-43.44
CC(C)CC(NC(=O)C=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004597523	1	36	-1.0	-47.00	308.72	3.58	-43.42
COC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004597524	0	39	-1.0	-47.30	320.95	3.50	-43.80
COC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004597524	1	39	-1.0	-47.37	321.01	3.51	-43.86
CC(C)CC(NC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004597525	0	35	-1.0	-52.14	296.10	4.25	-47.89
CC(C)CC(NC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004597525	1	35	-1.0	-52.13	296.16	4.26	-47.87
CC(C)CC(NC(=O)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004597526	0	36	-1.0	-49.87	298.47	-0.26	-50.13
CC(C)CC(NC(=O)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004597526	1	36	-1.0	-49.80	298.52	-0.25	-50.05
CCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004597527	0	41	-1.0	-47.05	334.38	5.60	-41.45
CCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004597527	1	41	-1.0	-47.05	334.44	5.62	-41.43
CC(C)CC(NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004597528	0	38	-1.0	-46.96	318.66	2.91	-44.05
CC(C)CC(NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004597528	1	38	-1.0	-46.91	318.60	2.89	-44.02
COC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597529	0	39	-1.0	-50.21	320.98	3.46	-46.75
COC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597529	1	39	-1.0	-50.18	321.04	3.47	-46.71
CC(C)CC(NC(=O)C1=CC=C[N+]([O-])=C1)C1=N[N-]N=N1	REAL250004597530	0	35	-1.0	-59.57	298.77	2.78	-56.79
CC(C)CC(NC(=O)C1=CC=C[N+]([O-])=C1)C1=NN=N[N-]1	REAL250004597530	1	35	-1.0	-59.53	298.83	2.79	-56.74
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(C)=C1	REAL250004597531	0	41	-1.0	-46.61	328.59	5.56	-41.05
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(C)=C1	REAL250004597531	1	41	-1.0	-46.63	328.65	5.57	-41.06
CC(C)CC(NC(=O)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004597532	0	34	-1.0	-42.81	303.36	2.85	-39.96
CC(C)CC(NC(=O)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004597532	1	34	-1.0	-42.80	303.30	2.84	-39.96
CC(C)CC(NC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004597533	0	36	-1.0	-45.54	312.30	4.56	-40.98
CC(C)CC(NC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004597533	1	36	-1.0	-45.51	312.36	4.58	-40.93
CC(C)CC(NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL250004597534	0	38	-1.0	-46.26	300.52	3.75	-42.51
CC(C)CC(NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL250004597534	1	38	-1.0	-46.28	300.58	3.77	-42.51
CC1=CC=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597535	0	38	-1.0	-46.58	307.24	4.92	-41.66
CC1=CC=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597535	1	38	-1.0	-46.55	307.30	4.93	-41.62
CC1=CC=C(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597536	0	41	-1.0	-46.71	328.97	5.51	-41.20
CC1=CC=C(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597536	1	41	-1.0	-46.72	329.03	5.52	-41.20
CC1=CC(C)=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597537	0	41	-1.0	-47.66	334.26	5.54	-42.12
CC1=CC(C)=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597537	1	41	-1.0	-47.66	334.32	5.56	-42.10
CC(C)CC(NC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL250004597538	0	44	-1.0	-45.64	341.77	5.29	-40.35
CC(C)CC(NC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL250004597538	1	44	-1.0	-45.60	341.83	5.31	-40.29
CC(C)CC(NC(=O)C1=CC=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004597539	0	34	-1.0	-45.94	305.64	2.89	-43.05
CC(C)CC(NC(=O)C1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004597539	1	34	-1.0	-45.92	305.58	2.87	-43.05
CC(C)CC(NC(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004597540	0	34	-1.0	-45.29	286.79	2.42	-42.87
CC(C)CC(NC(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004597540	1	34	-1.0	-45.31	286.74	2.41	-42.90
CC(C)CC(NC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004597541	0	35	-1.0	-44.40	297.90	4.24	-40.16
CC(C)CC(NC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004597541	1	35	-1.0	-44.43	297.96	4.25	-40.18
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004597542	0	35	-1.0	-44.31	308.22	4.68	-39.63
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004597542	1	35	-1.0	-44.32	308.28	4.70	-39.62
CC(C)CC(NC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004597543	0	34	-1.0	-45.85	286.50	2.44	-43.41
CC(C)CC(NC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004597543	1	34	-1.0	-45.86	286.44	2.42	-43.44
CC(C)CC(NC(=O)CC1=CC=CS1)C1=N[N-]N=N1	REAL250004597544	0	35	-1.0	-46.80	306.35	3.95	-42.85
CC(C)CC(NC(=O)CC1=CC=CS1)C1=NN=N[N-]1	REAL250004597544	1	35	-1.0	-46.81	306.40	3.96	-42.85
CC1=NOC(C)=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597545	0	40	-1.0	-47.89	333.25	3.61	-44.28
CC1=NOC(C)=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597545	1	40	-1.0	-47.88	333.31	3.62	-44.26
CC(C)CC(NC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004597546	0	35	-1.0	-42.28	304.24	4.31	-37.97
CC(C)CC(NC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004597546	1	35	-1.0	-42.31	304.30	4.32	-37.99
CC(C)CC(NC(=O)C1CCOCC1)C1=N[N-]N=N1	REAL250004597547	0	39	-1.0	-47.74	308.41	2.00	-45.74
CC(C)CC(NC(=O)C1CCOCC1)C1=NN=N[N-]1	REAL250004597547	1	39	-1.0	-47.73	308.47	2.02	-45.71
CC(C)CC(NC(=O)CCC1=CSC=C1)C1=N[N-]N=N1	REAL250004597548	0	38	-1.0	-44.68	327.46	4.61	-40.07
CC(C)CC(NC(=O)CCC1=CSC=C1)C1=NN=N[N-]1	REAL250004597548	1	38	-1.0	-44.69	327.52	4.63	-40.06
CC(C)CC(NC(=O)CC1C=CCC1)C1=N[N-]N=N1	REAL250004597549	0	39	-1.0	-45.71	311.52	4.40	-41.31
CC(C)CC(NC(=O)CC1C=CCC1)C1=NN=N[N-]1	REAL250004597549	1	39	-1.0	-45.70	311.58	4.42	-41.28
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)S1	REAL250004597550	0	38	-1.0	-46.14	322.81	4.71	-41.43
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)S1	REAL250004597550	1	38	-1.0	-46.16	322.87	4.72	-41.44
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CO1	REAL250004597551	0	35	-1.0	-46.24	294.83	2.98	-43.26
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CO1	REAL250004597551	1	35	-1.0	-46.21	294.89	2.99	-43.22
CC(C)CC(NC(=O)CCCCNC(N)=O)C1=N[N-]N=N1	REAL250004597552	0	43	-1.0	-54.82	352.84	-1.04	-55.86
CC(C)CC(NC(=O)CCCCNC(N)=O)C1=NN=N[N-]1	REAL250004597552	1	43	-1.0	-54.82	352.90	-1.03	-55.85
CC(C)CC(NC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004597553	0	32	-1.0	-47.19	282.84	3.09	-44.10
CC(C)CC(NC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004597553	1	32	-1.0	-47.13	282.90	3.10	-44.03
CC(C)CC(NC(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004597554	0	35	-1.0	-47.87	302.51	4.33	-43.54
CC(C)CC(NC(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004597554	1	35	-1.0	-47.84	302.57	4.33	-43.51
CC(C)CC(NC(=O)CCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004597555	0	40	-1.0	-46.97	332.31	3.90	-43.07
CC(C)CC(NC(=O)CCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004597555	1	40	-1.0	-46.98	332.37	3.92	-43.06
CC(C)CC(NC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004597556	0	44	-1.0	-43.54	353.47	1.64	-41.90
CC(C)CC(NC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004597556	1	44	-1.0	-43.54	353.53	1.65	-41.89
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004597557	0	39	-1.0	-46.40	325.35	4.13	-42.27
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004597557	1	39	-1.0	-46.35	325.30	4.12	-42.23
CC(C)CC(NC(=O)CN1CCCC1=O)C1=N[N-]N=N1	REAL250004597558	0	39	-1.0	-57.61	321.10	2.57	-55.04
CC(C)CC(NC(=O)CN1CCCC1=O)C1=NN=N[N-]1	REAL250004597558	1	39	-1.0	-57.68	321.16	2.58	-55.10
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004597559	0	41	-1.0	-47.05	337.53	5.51	-41.54
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004597559	1	41	-1.0	-47.03	337.59	5.53	-41.50
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SN=N1	REAL250004597560	0	36	-1.0	-41.20	313.25	2.10	-39.10
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SN=N1	REAL250004597560	1	36	-1.0	-41.20	313.31	2.11	-39.09
CC(C)CC(NC(=O)C1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004597561	0	38	-1.0	-51.92	321.97	4.68	-47.24
CC(C)CC(NC(=O)C1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004597561	1	38	-1.0	-51.91	321.91	4.66	-47.25
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1F	REAL250004597562	0	38	-1.0	-44.70	318.15	4.92	-39.78
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1F	REAL250004597562	1	38	-1.0	-44.71	318.21	4.93	-39.78
CC(C)CC(NC(=O)CN1CCSC1=O)C1=N[N-]N=N1	REAL250004597563	0	37	-1.0	-49.51	320.00	2.20	-47.31
CC(C)CC(NC(=O)CN1CCSC1=O)C1=NN=N[N-]1	REAL250004597563	1	37	-1.0	-49.54	320.06	2.21	-47.33
CC(=O)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597564	0	39	-1.0	-54.79	322.16	3.35	-51.44
CC(=O)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597564	1	39	-1.0	-54.77	322.21	3.37	-51.40
CC1=CC(OCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004597565	0	38	-1.0	-49.14	324.83	1.73	-47.41
CC1=CC(OCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004597565	1	38	-1.0	-49.15	324.89	1.74	-47.41
CC1=NNC(C)=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597566	0	41	-1.0	-50.54	336.73	2.39	-48.15
CC1=NNC(C)=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597566	1	41	-1.0	-50.52	336.67	2.37	-48.15
CC(C)CC(NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL250004597567	0	33	-1.0	-59.98	285.03	1.43	-58.55
CC(C)CC(NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL250004597567	1	33	-1.0	-59.96	284.97	1.43	-58.53
CC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597568	0	34	-1.0	-42.07	292.17	2.19	-39.88
CC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597568	1	34	-1.0	-42.08	292.23	2.21	-39.87
CCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597569	0	38	-1.0	-45.92	327.01	4.76	-41.16
CCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597569	1	38	-1.0	-45.95	327.07	4.78	-41.17
CC1=NOC(C)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597570	0	37	-1.0	-42.18	314.88	3.00	-39.18
CC1=NOC(C)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597570	1	37	-1.0	-42.16	314.94	3.02	-39.14
CC(C)CC(NC(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597571	0	35	-1.0	-47.51	296.60	1.92	-45.59
CC(C)CC(NC(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597571	1	35	-1.0	-47.49	296.54	1.91	-45.58
CC(C)CC(NC(=O)CCNC(N)=O)C1=N[N-]N=N1	REAL250004597572	0	37	-1.0	-55.11	309.84	-2.63	-57.74
CC(C)CC(NC(=O)CCNC(N)=O)C1=NN=N[N-]1	REAL250004597572	1	37	-1.0	-55.14	309.90	-2.61	-57.75
CC(C)CC(NC(=O)CN1CSCC1=O)C1=N[N-]N=N1	REAL250004597573	0	37	-1.0	-48.36	320.40	2.22	-46.14
CC(C)CC(NC(=O)CN1CSCC1=O)C1=NN=N[N-]1	REAL250004597573	1	37	-1.0	-48.35	320.46	2.23	-46.12
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SN=N1	REAL250004597574	0	33	-1.0	-41.14	291.72	1.36	-39.78
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SN=N1	REAL250004597574	1	33	-1.0	-41.18	291.78	1.38	-39.80
CC(C)CC(NC(=O)C=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597575	0	39	-1.0	-49.99	329.68	3.24	-46.75
CC(C)CC(NC(=O)C=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597575	1	39	-1.0	-49.98	329.73	3.26	-46.72
CC(C)CC(NC(=O)C1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004597576	0	34	-1.0	-45.07	303.67	2.85	-42.22
CC(C)CC(NC(=O)C1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004597576	1	34	-1.0	-45.06	303.61	2.83	-42.23
COC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597577	0	38	-1.0	-44.54	318.62	0.95	-43.59
COC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597577	1	38	-1.0	-44.50	318.57	0.94	-43.56
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1C	REAL250004597578	0	39	-1.0	-46.71	315.98	4.06	-42.65
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1C	REAL250004597578	1	39	-1.0	-46.67	316.04	4.07	-42.60
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=C1	REAL250004597579	0	35	-1.0	-46.36	293.57	2.89	-43.47
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=C1	REAL250004597579	1	35	-1.0	-46.32	293.63	2.91	-43.41
CC(C)CC(NC(=O)C1=NN(C)C(=O)CC1)C1=N[N-]N=N1	REAL250004597580	0	39	-1.0	-42.34	323.19	1.36	-40.98
CC(C)CC(NC(=O)C1=NN(C)C(=O)CC1)C1=NN=N[N-]1	REAL250004597580	1	39	-1.0	-42.32	323.25	1.37	-40.95
CC(C)CC(NC(=O)C1CC=CCC1)C1=N[N-]N=N1	REAL250004597581	0	39	-1.0	-45.44	309.70	4.31	-41.13
CC(C)CC(NC(=O)C1CC=CCC1)C1=NN=N[N-]1	REAL250004597581	1	39	-1.0	-45.44	309.76	4.33	-41.11
CC(C)CC(NC(=O)CCC1=CC=CO1)C1=N[N-]N=N1	REAL250004597582	0	38	-1.0	-46.22	318.32	3.78	-42.44
CC(C)CC(NC(=O)CCC1=CC=CO1)C1=NN=N[N-]1	REAL250004597582	1	38	-1.0	-46.23	318.38	3.79	-42.44
CC(C)CC(NC(=O)C1=CC(Cl)=CN1)C1=N[N-]N=N1	REAL250004597583	0	33	-1.0	-46.83	295.68	2.48	-44.35
CC(C)CC(NC(=O)C1=CC(Cl)=CN1)C1=NN=N[N-]1	REAL250004597583	1	33	-1.0	-46.80	295.74	2.50	-44.30
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=N[N-]N=N1	REAL250004597584	0	35	-1.0	-49.68	308.84	2.71	-46.97
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=NN=N[N-]1	REAL250004597584	1	35	-1.0	-49.69	308.90	2.72	-46.97
CC1=C(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL250004597585	0	41	-1.0	-48.70	339.64	4.34	-44.36
CC1=C(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL250004597585	1	41	-1.0	-48.72	339.70	4.35	-44.37
CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL250004597586	0	41	-1.0	-46.77	324.07	5.46	-41.31
CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL250004597586	1	41	-1.0	-46.77	324.12	5.47	-41.30
CC(C)CC(NC(=O)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004597587	0	33	-1.0	-46.93	283.56	0.59	-46.34
CC(C)CC(NC(=O)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004597587	1	33	-1.0	-46.88	283.50	0.58	-46.30
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C	REAL250004597588	0	41	-1.0	-48.04	329.83	5.41	-42.63
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C	REAL250004597588	1	41	-1.0	-48.07	329.89	5.43	-42.64
CC(C)CC(NC(=O)CC1CC2CCC1C2)C1=N[N-]N=N1	REAL250004597589	0	45	-1.0	-47.10	340.97	5.41	-41.69
CC(C)CC(NC(=O)CC1CC2CCC1C2)C1=NN=N[N-]1	REAL250004597589	1	45	-1.0	-47.12	341.02	5.42	-41.70
COCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597590	0	39	-1.0	-47.17	331.30	2.07	-45.10
COCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597590	1	39	-1.0	-47.18	331.36	2.08	-45.10
CC(C)CC(NC(=O)C1=CC(Cl)=CN1C)C1=N[N-]N=N1	REAL250004597591	0	36	-1.0	-43.83	313.81	4.15	-39.68
CC(C)CC(NC(=O)C1=CC(Cl)=CN1C)C1=NN=N[N-]1	REAL250004597591	1	36	-1.0	-43.84	313.87	4.17	-39.67
CC(C)CC(NC(=O)CN1C=CC=N1)C1=NN=N[N-]1	REAL250004597592	0	35	-1.0	-55.25	296.39	2.30	-52.95
CC(C)CC(NC(=O)CN1C=CC=N1)C1=N[N-]N=N1	REAL250004597592	1	35	-1.0	-55.29	296.35	2.26	-53.03
CC(C)CC(NC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004597593	0	35	-1.0	-42.62	304.28	4.34	-38.28
CC(C)CC(NC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004597593	1	35	-1.0	-42.60	304.34	4.36	-38.24
CC(=O)C1=CNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597594	0	38	-1.0	-58.03	323.82	2.52	-55.51
CC(=O)C1=CNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597594	1	38	-1.0	-58.05	323.88	2.53	-55.52
CC(C)CC(NC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL250004597595	0	41	-1.0	-45.53	319.36	4.49	-41.04
CC(C)CC(NC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL250004597595	1	41	-1.0	-45.53	319.42	4.50	-41.03
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL250004597596	0	38	-1.0	-45.91	315.08	3.77	-42.14
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL250004597596	1	38	-1.0	-45.91	315.14	3.78	-42.13
CC1=NN(C)C(C)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597597	0	41	-1.0	-46.63	339.85	2.93	-43.70
CC1=NN(C)C(C)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597597	1	41	-1.0	-46.57	339.91	2.95	-43.62
CCOC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597598	0	39	-1.0	-43.89	327.43	-0.08	-43.97
CCOC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597598	1	39	-1.0	-43.91	327.49	-0.07	-43.98
CCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597599	0	38	-1.0	-45.85	319.13	3.79	-42.06
CCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597599	1	38	-1.0	-45.84	319.18	3.81	-42.03
CC(C)CC(NC(=O)C1=CC=C(Cl)O1)C1=N[N-]N=N1	REAL250004597600	0	32	-1.0	-42.08	292.78	2.80	-39.28
CC(C)CC(NC(=O)C1=CC=C(Cl)O1)C1=NN=N[N-]1	REAL250004597600	1	32	-1.0	-42.06	292.84	2.81	-39.25
CCOC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597601	0	42	-1.0	-51.31	349.60	0.49	-50.82
CCOC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597601	1	42	-1.0	-51.33	349.66	0.51	-50.82
CC(C)CC(NC(=O)C1CC2CCC1C2)C1=N[N-]N=N1	REAL250004597602	0	42	-1.0	-47.41	321.99	4.71	-42.70
CC(C)CC(NC(=O)C1CC2CCC1C2)C1=NN=N[N-]1	REAL250004597602	1	42	-1.0	-47.40	322.04	4.73	-42.67
CCCC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597603	0	41	-1.0	-43.70	338.24	2.75	-40.95
CCCC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597603	1	41	-1.0	-43.70	338.30	2.76	-40.94
CC(C)CC(NC(=O)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004597604	0	37	-1.0	-47.38	311.05	3.09	-44.29
CC(C)CC(NC(=O)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004597604	1	37	-1.0	-47.39	311.10	3.10	-44.29
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597605	0	37	-1.0	-45.86	308.09	3.01	-42.85
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597605	1	37	-1.0	-45.87	308.15	3.02	-42.85
CC(C)CC(NC(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004597606	0	36	-1.0	-46.36	296.62	3.61	-42.75
CC(C)CC(NC(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004597606	1	36	-1.0	-46.37	296.68	3.62	-42.75
CC(C)CC(NC(=O)C1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004597607	0	38	-1.0	-44.92	323.74	3.88	-41.04
CC(C)CC(NC(=O)C1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004597607	1	38	-1.0	-44.94	323.80	3.89	-41.05
CC1=NOC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004597608	0	39	-1.0	-44.73	329.05	1.28	-43.45
CC1=NOC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004597608	1	39	-1.0	-44.71	329.11	1.30	-43.41
CC1=C(C)SC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597609	0	38	-1.0	-46.71	323.73	4.51	-42.20
CC1=C(C)SC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597609	1	38	-1.0	-46.77	323.79	4.53	-42.24
CC(C)CC(NC(=O)C1=CC=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004597610	0	38	-1.0	-62.48	318.27	2.98	-59.50
CC(C)CC(NC(=O)C1=CC=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004597610	1	38	-1.0	-62.52	318.21	2.97	-59.55
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=NN1C	REAL250004597611	0	38	-1.0	-47.49	312.06	2.40	-45.09
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=NN1C	REAL250004597611	1	38	-1.0	-47.51	312.12	2.41	-45.10
CCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597612	0	40	-1.0	-45.25	320.57	4.22	-41.03
CCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597612	1	40	-1.0	-45.23	320.62	4.23	-41.00
CC(C)CC(NC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004597613	0	40	-1.0	-44.27	309.26	3.79	-40.48
CC(C)CC(NC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004597613	1	40	-1.0	-44.26	309.32	3.80	-40.46
CC(C)CC(NC(=O)C1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004597614	0	32	-1.0	-41.68	299.68	3.66	-38.02
CC(C)CC(NC(=O)C1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004597614	1	32	-1.0	-41.68	299.74	3.68	-38.00
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597615	0	37	-1.0	-45.45	317.61	2.66	-42.79
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597615	1	37	-1.0	-45.43	317.67	2.67	-42.76
CC(C)CC(NC(=O)CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004597616	0	37	-1.0	-46.81	313.28	4.31	-42.50
CC(C)CC(NC(=O)CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004597616	1	37	-1.0	-46.84	313.22	4.29	-42.55
CC(C)CC(NC(=O)CNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004597617	0	39	-1.0	-44.11	325.59	1.13	-42.98
CC(C)CC(NC(=O)CNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004597617	1	39	-1.0	-44.12	325.65	1.14	-42.98
COC1=NC=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597618	0	38	-1.0	-52.00	316.58	2.15	-49.85
COC1=NC=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597618	1	38	-1.0	-52.03	316.52	2.14	-49.89
CCCCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597619	0	41	-1.0	-46.82	343.60	4.79	-42.03
CCCCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597619	1	41	-1.0	-46.80	343.65	4.80	-42.00
CCCCCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597620	0	49	-1.0	-45.36	385.06	6.56	-38.80
CCCCCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597620	1	49	-1.0	-45.38	385.12	6.57	-38.81
CCCCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597621	0	46	-1.0	-45.36	363.60	5.74	-39.62
CCCCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597621	1	46	-1.0	-45.34	363.66	5.76	-39.58
CCCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597622	0	43	-1.0	-45.38	342.06	5.00	-40.38
CCCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597622	1	43	-1.0	-45.37	342.12	5.01	-40.36
CC(C)CC(NC(=O)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004597623	0	38	-1.0	-46.48	318.57	2.82	-43.66
CC(C)CC(NC(=O)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004597623	1	38	-1.0	-46.50	318.52	2.81	-43.69
CC(C)CC(NC(=O)C1=CC=CNC1=O)C1=N[N-]N=N1	REAL250004597624	0	35	-1.0	-59.15	293.61	1.40	-57.75
CC(C)CC(NC(=O)C1=CC=CNC1=O)C1=NN=N[N-]1	REAL250004597624	1	35	-1.0	-59.11	293.66	1.42	-57.69
CC(C)CC(NC(=O)CSC(C)C)C1=N[N-]N=N1	REAL250004597625	0	38	-1.0	-46.88	318.91	3.80	-43.08
CC(C)CC(NC(=O)CSC(C)C)C1=NN=N[N-]1	REAL250004597625	1	38	-1.0	-46.89	318.97	3.82	-43.07
CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004597626	0	37	-1.0	-48.25	310.32	3.06	-45.19
CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004597626	1	37	-1.0	-48.24	310.38	3.07	-45.17
CC(C)CC(NC(=O)C1=CC=CC2=NNC=C21)C1=NN=N[N-]1	REAL250004597627	0	38	-1.0	-47.48	316.47	2.85	-44.63
CC(C)CC(NC(=O)C1=CC=CC2=NNC=C21)C1=N[N-]N=N1	REAL250004597627	1	38	-1.0	-47.50	316.41	2.83	-44.67
CC(C)CC(NC(=O)C1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004597628	0	36	-1.0	-50.32	300.34	2.69	-47.63
CC(C)CC(NC(=O)C1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004597628	1	36	-1.0	-50.33	300.40	2.71	-47.62
CC(C)CC(NC(=O)C1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004597629	0	38	-1.0	-50.55	317.51	2.93	-47.62
CC(C)CC(NC(=O)C1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004597629	1	38	-1.0	-50.57	317.57	2.94	-47.63
CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1O	REAL250004597630	0	39	-1.0	-48.63	320.42	3.41	-45.22
CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1O	REAL250004597630	1	39	-1.0	-48.59	320.47	3.42	-45.17
CC(C)CC(NC(=O)C1=CC(C2CC2)=NN1)C1=N[N-]N=N1	REAL250004597631	0	39	-1.0	-43.98	325.12	2.75	-41.23
CC(C)CC(NC(=O)C1=CC(C2CC2)=NN1)C1=NN=N[N-]1	REAL250004597631	1	39	-1.0	-43.96	325.18	2.77	-41.19
CC1=CC=C(O)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597632	0	39	-1.0	-48.21	321.74	3.38	-44.83
CC1=CC=C(O)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597632	1	39	-1.0	-48.25	321.79	3.40	-44.85
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1O	REAL250004597633	0	39	-1.0	-48.67	322.52	2.10	-46.57
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1O	REAL250004597633	1	39	-1.0	-48.68	322.58	2.11	-46.57
CC(C)CC(NC(=O)C1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004597634	0	42	-1.0	-49.34	334.23	2.38	-46.96
CC(C)CC(NC(=O)C1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004597634	1	42	-1.0	-49.37	334.29	2.39	-46.98
CC(C)CC(NC(=O)C1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL250004597635	0	38	-1.0	-56.26	316.72	2.97	-53.29
CC(C)CC(NC(=O)C1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL250004597635	1	38	-1.0	-56.29	316.78	2.99	-53.30
CCN1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1=O	REAL250004597636	0	42	-1.0	-44.78	340.53	2.74	-42.04
CCN1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1=O	REAL250004597636	1	42	-1.0	-44.80	340.59	2.75	-42.05
CC(C)CC(NC(=O)CSCC#N)C1=N[N-]N=N1	REAL250004597637	0	33	-1.0	-52.38	299.95	2.96	-49.42
CC(C)CC(NC(=O)CSCC#N)C1=NN=N[N-]1	REAL250004597637	1	33	-1.0	-52.38	300.01	2.98	-49.40
CC(C)CC(NC(=O)CCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004597638	0	37	-1.0	-50.84	319.75	-0.59	-51.43
CC(C)CC(NC(=O)CCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004597638	1	37	-1.0	-50.84	319.81	-0.58	-51.42
CC(C)CC(NC(=O)C=CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004597639	0	39	-1.0	-46.76	328.47	2.98	-43.78
CC(C)CC(NC(=O)C=CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004597639	1	39	-1.0	-46.77	328.53	3.00	-43.77
CC(C)CC(NC(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004597640	0	38	-1.0	-52.20	314.90	2.77	-49.43
CC(C)CC(NC(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004597640	1	38	-1.0	-52.16	314.84	2.75	-49.41
CC(C)CC(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004597641	0	34	-1.0	-56.25	291.24	3.74	-52.51
CC(C)CC(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004597641	1	34	-1.0	-56.20	291.18	3.73	-52.47
CC(C)CC(NC(=O)CSC(F)(F)F)C1=N[N-]N=N1	REAL250004597642	0	32	-1.0	-43.07	298.91	2.88	-40.19
CC(C)CC(NC(=O)CSC(F)(F)F)C1=NN=N[N-]1	REAL250004597642	1	32	-1.0	-43.06	298.96	2.90	-40.16
CC(C)CC(NC(=O)CCOC(C)C)C1=N[N-]N=N1	REAL250004597643	0	41	-1.0	-44.18	331.91	2.64	-41.54
CC(C)CC(NC(=O)CCOC(C)C)C1=NN=N[N-]1	REAL250004597643	1	41	-1.0	-44.22	331.97	2.65	-41.57
CC(C)CC(NC(=O)CN1C=CC=NC1=O)C1=N[N-]N=N1	REAL250004597644	0	37	-1.0	-55.06	315.29	1.32	-53.74
CC(C)CC(NC(=O)CN1C=CC=NC1=O)C1=NN=N[N-]1	REAL250004597644	1	37	-1.0	-55.03	315.34	1.34	-53.69
CCC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597645	0	38	-1.0	-43.88	316.69	1.96	-41.92
CCC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597645	1	38	-1.0	-43.90	316.75	1.97	-41.93
CC(C)CC(NC(=O)C1COCCO1)C1=N[N-]N=N1	REAL250004597646	0	37	-1.0	-47.41	301.03	1.27	-46.14
CC(C)CC(NC(=O)C1COCCO1)C1=NN=N[N-]1	REAL250004597646	1	37	-1.0	-47.40	301.09	1.28	-46.12
CCCCCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597647	0	47	-1.0	-48.26	376.68	5.32	-42.94
CCCCCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597647	1	47	-1.0	-48.30	376.74	5.34	-42.96
COC(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597648	0	34	-1.0	-52.55	288.06	2.81	-49.74
COC(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597648	1	34	-1.0	-52.57	288.11	2.82	-49.75
CC(C)CC(NC(=O)CCC1CCCO1)C1=N[N-]N=N1	REAL250004597649	0	42	-1.0	-44.91	334.08	2.97	-41.94
CC(C)CC(NC(=O)CCC1CCCO1)C1=NN=N[N-]1	REAL250004597649	1	42	-1.0	-44.88	334.14	2.98	-41.90
COCCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597650	0	39	-1.0	-46.35	334.31	2.25	-44.10
COCCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597650	1	39	-1.0	-46.32	334.37	2.26	-44.06
CC(C)CC(NC(=O)CN1CCCCC1=O)C1=N[N-]N=N1	REAL250004597651	0	42	-1.0	-56.73	336.61	3.16	-53.57
CC(C)CC(NC(=O)CN1CCCCC1=O)C1=NN=N[N-]1	REAL250004597651	1	42	-1.0	-56.75	336.67	3.17	-53.58
CC(C)CC(NC(=O)CN1CCCNC1=O)C1=N[N-]N=N1	REAL250004597652	0	41	-1.0	-51.22	331.32	1.09	-50.13
CC(C)CC(NC(=O)CN1CCCNC1=O)C1=NN=N[N-]1	REAL250004597652	1	41	-1.0	-51.24	331.38	1.10	-50.14
CC(=O)N(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597653	0	38	-1.0	-57.28	313.07	1.96	-55.32
CC(=O)N(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597653	1	38	-1.0	-57.23	313.13	1.97	-55.26
CCC(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597654	0	40	-1.0	-46.33	310.13	3.62	-42.71
CCC(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597654	1	40	-1.0	-46.30	310.19	3.64	-42.66
CC(C)CC(NC(=O)C1CC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004597655	0	39	-1.0	-48.43	318.73	1.73	-46.70
CC(C)CC(NC(=O)C1CC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004597655	1	39	-1.0	-48.47	318.79	1.75	-46.72
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C#N	REAL250004597656	0	38	-1.0	-43.65	328.86	3.34	-40.31
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C#N	REAL250004597656	1	38	-1.0	-43.60	328.92	3.36	-40.24
CC1=NNC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597657	0	35	-1.0	-48.70	291.70	1.20	-47.50
CC1=NNC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597657	1	35	-1.0	-48.67	291.76	1.21	-47.46
CC(C)CC(NC(=O)C1=CSN=N1)C1=NN=N[N-]1	REAL250004597658	0	30	-1.0	-44.37	273.59	0.56	-43.81
CC(C)CC(NC(=O)C1=CSN=N1)C1=N[N-]N=N1	REAL250004597658	1	30	-1.0	-44.37	273.53	0.54	-43.83
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=N1	REAL250004597659	0	38	-1.0	-47.22	318.99	0.92	-46.30
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=N1	REAL250004597659	1	38	-1.0	-47.22	318.93	0.91	-46.31
CCCCC(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597660	0	46	-1.0	-46.74	352.69	5.24	-41.50
CCCCC(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597660	1	46	-1.0	-46.75	352.74	5.26	-41.49
COC(=O)N(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597661	0	39	-1.0	-55.36	326.63	1.84	-53.52
COC(=O)N(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597661	1	39	-1.0	-55.39	326.68	1.86	-53.53
CCC(=O)NC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597662	0	41	-1.0	-45.57	334.64	1.20	-44.37
CCC(=O)NC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597662	1	41	-1.0	-45.62	334.70	1.22	-44.40
CC(C)CC(NC(=O)C1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL250004597663	0	35	-1.0	-74.77	295.70	4.37	-70.40
CC(C)CC(NC(=O)C1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL250004597663	1	35	-1.0	-74.77	295.76	4.38	-70.39
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=N1	REAL250004597664	0	34	-1.0	-45.38	295.67	1.94	-43.44
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=N1	REAL250004597664	1	34	-1.0	-45.39	295.73	1.96	-43.43
CC(C)CC(NC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004597665	0	39	-1.0	-53.76	320.70	4.21	-49.55
CC(C)CC(NC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004597665	1	39	-1.0	-53.80	320.64	4.19	-49.61
CCOCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597666	0	41	-1.0	-47.93	333.14	2.66	-45.27
CCOCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597666	1	41	-1.0	-47.91	333.20	2.67	-45.24
CC(C)CC(NC(=O)COCC1CC1)C1=N[N-]N=N1	REAL250004597667	0	39	-1.0	-48.86	322.36	3.76	-45.10
CC(C)CC(NC(=O)COCC1CC1)C1=NN=N[N-]1	REAL250004597667	1	39	-1.0	-48.82	322.42	3.78	-45.04
CC(C)CC(NC(=O)CC1CCCO1)C1=N[N-]N=N1	REAL250004597668	0	39	-1.0	-49.27	312.21	2.87	-46.40
CC(C)CC(NC(=O)CC1CCCO1)C1=NN=N[N-]1	REAL250004597668	1	39	-1.0	-49.33	312.27	2.89	-46.44
CC(C)CC(NC(=O)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004597669	0	37	-1.0	-64.12	314.72	-0.31	-64.43
CC(C)CC(NC(=O)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004597669	1	37	-1.0	-64.14	314.79	-0.28	-64.42
CC1=CNC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597670	0	36	-1.0	-52.58	297.52	2.73	-49.85
CC1=CNC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597670	1	36	-1.0	-52.54	297.58	2.73	-49.81
CSC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597671	0	35	-1.0	-48.06	297.58	2.90	-45.16
CSC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597671	1	35	-1.0	-48.07	297.64	2.90	-45.17
CCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597672	0	38	-1.0	-48.35	310.48	2.88	-45.47
CCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597672	1	38	-1.0	-48.38	310.54	2.89	-45.49
CC(C)CC(NC(=O)C1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004597673	0	39	-1.0	-49.80	322.80	4.22	-45.58
CC(C)CC(NC(=O)C1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004597673	1	39	-1.0	-49.78	322.74	4.21	-45.57
CC(C)CC(NC(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004597674	0	37	-1.0	-59.54	315.61	-1.29	-60.83
CC(C)CC(NC(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004597674	1	37	-1.0	-59.53	315.67	-1.27	-60.80
CC(C)CC(NC(=O)C1=CC(C(C)C)=NN1)C1=N[N-]N=N1	REAL250004597675	0	41	-1.0	-43.83	335.58	2.51	-41.32
CC(C)CC(NC(=O)C1=CC(C(C)C)=NN1)C1=NN=N[N-]1	REAL250004597675	1	41	-1.0	-43.82	335.64	2.53	-41.29
CCOC(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597676	0	37	-1.0	-52.40	309.92	3.72	-48.68
CCOC(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597676	1	37	-1.0	-52.46	309.98	3.74	-48.72
CC(C)CC(NC(=O)CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004597677	0	40	-1.0	-45.51	332.40	3.87	-41.64
CC(C)CC(NC(=O)CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004597677	1	40	-1.0	-45.56	332.46	3.90	-41.66
CC(C)CC(NC(=O)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004597678	0	38	-1.0	-45.86	316.28	2.97	-42.89
CC(C)CC(NC(=O)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004597678	1	38	-1.0	-45.85	316.34	2.99	-42.86
CC(C)CC(NC(=O)C1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL250004597680	0	39	-1.0	-54.26	333.74	5.33	-48.93
CC(C)CC(NC(=O)C1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL250004597680	1	39	-1.0	-54.28	333.80	5.34	-48.94
CC(C)CC(NC(=O)C1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004597681	0	39	-1.0	-46.58	314.45	0.41	-46.17
CC(C)CC(NC(=O)C1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004597681	1	39	-1.0	-46.56	314.51	0.42	-46.14
COCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597682	0	38	-1.0	-47.81	311.24	1.73	-46.08
COCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597682	1	38	-1.0	-47.82	311.30	1.74	-46.08
CC(C)CC(NC(=O)C1=NNC2=C1CCC2)C1=N[N-]N=N1	REAL250004597683	0	39	-1.0	-50.41	319.84	2.51	-47.90
CC(C)CC(NC(=O)C1=NNC2=C1CCC2)C1=NN=N[N-]1	REAL250004597683	1	39	-1.0	-50.43	319.89	2.53	-47.90
CC(C)CC(NC(=O)CCC(C)(F)F)C1=N[N-]N=N1	REAL250004597684	0	37	-1.0	-43.49	310.23	3.53	-39.96
CC(C)CC(NC(=O)CCC(C)(F)F)C1=NN=N[N-]1	REAL250004597684	1	37	-1.0	-43.39	310.28	3.54	-39.85
CC(C)CC(NC(=O)COC1CCCC1)C1=N[N-]N=N1	REAL250004597685	0	42	-1.0	-48.50	335.63	4.23	-44.27
CC(C)CC(NC(=O)COC1CCCC1)C1=NN=N[N-]1	REAL250004597685	1	42	-1.0	-48.48	335.69	4.24	-44.24
CC(C)CC(NC(=O)COC1CCCCC1)C1=N[N-]N=N1	REAL250004597686	0	45	-1.0	-48.68	352.54	4.89	-43.79
CC(C)CC(NC(=O)COC1CCCCC1)C1=NN=N[N-]1	REAL250004597686	1	45	-1.0	-48.73	352.60	4.91	-43.82
CC1=NC=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597687	0	36	-1.0	-42.55	297.94	2.85	-39.70
CC1=NC=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597687	1	36	-1.0	-42.53	298.00	2.86	-39.67
C=CCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597688	0	36	-1.0	-47.17	313.41	3.77	-43.40
C=CCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597688	1	36	-1.0	-47.17	313.46	3.78	-43.39
CCOC1CC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597689	0	39	-1.0	-43.50	322.24	2.54	-40.96
CCOC1CC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597689	1	39	-1.0	-43.49	322.30	2.56	-40.93
CC1=NC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004597690	0	36	-1.0	-44.39	305.55	2.24	-42.15
CC1=NC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004597690	1	36	-1.0	-44.40	305.61	2.25	-42.15
CCSCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597691	0	38	-1.0	-43.60	322.27	4.01	-39.59
CCSCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597691	1	38	-1.0	-43.61	322.33	4.03	-39.58
COC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597692	0	36	-1.0	-43.94	305.57	-1.01	-44.95
COC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597692	1	36	-1.0	-43.91	305.63	-1.00	-44.91
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=N[N-]N=N1	REAL250004597693	0	35	-1.0	-41.59	309.09	3.61	-37.98
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=NN=N[N-]1	REAL250004597693	1	35	-1.0	-41.63	309.15	3.62	-38.01
CC(C)CC(NC(=O)C1=NSN=C1)C1=NN=N[N-]1	REAL250004597694	0	30	-1.0	-42.19	272.47	0.17	-42.02
CC(C)CC(NC(=O)C1=NSN=C1)C1=N[N-]N=N1	REAL250004597694	1	30	-1.0	-42.16	272.41	0.15	-42.01
CC(C)CC(NC(=O)C1=CN=NS1)C1=NN=N[N-]1	REAL250004597695	0	30	-1.0	-41.67	273.83	0.78	-40.89
CC(C)CC(NC(=O)C1=CN=NS1)C1=N[N-]N=N1	REAL250004597695	1	30	-1.0	-41.64	273.78	0.77	-40.87
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597696	0	40	-1.0	-49.88	332.62	3.68	-46.20
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597696	1	40	-1.0	-49.89	332.68	3.70	-46.19
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)N1	REAL250004597697	0	38	-1.0	-56.98	315.05	1.97	-55.01
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)N1	REAL250004597697	1	38	-1.0	-56.94	315.11	1.99	-54.95
CC(C)CC(NC(=O)CC(C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004597698	0	49	-1.0	-44.87	361.49	5.48	-39.39
CC(C)CC(NC(=O)CC(C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004597698	1	49	-1.0	-44.80	361.55	5.49	-39.31
CCCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597699	0	38	-1.0	-46.86	322.10	4.01	-42.85
CCCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597699	1	38	-1.0	-46.84	322.16	4.02	-42.82
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004597700	0	39	-1.0	-45.29	313.59	4.63	-40.66
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004597700	1	39	-1.0	-45.30	313.64	4.64	-40.66
CC(C)CC(NC(=O)C1=NOC=C1)C1=NN=N[N-]1	REAL250004597701	0	31	-1.0	-46.92	270.26	1.43	-45.49
CC(C)CC(NC(=O)C1=NOC=C1)C1=N[N-]N=N1	REAL250004597701	1	31	-1.0	-46.91	270.20	1.41	-45.50
CC(C)CC(NC(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004597702	0	38	-1.0	-65.11	316.41	3.54	-61.57
CC(C)CC(NC(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004597702	1	38	-1.0	-65.15	316.35	3.53	-61.62
CC(C)CC(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004597703	0	31	-1.0	-45.85	278.76	1.35	-44.50
CC(C)CC(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004597703	1	31	-1.0	-45.84	278.71	1.33	-44.51
CC(C)CC(NC(=O)C=C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004597704	0	43	-1.0	-45.51	340.75	5.93	-39.58
CC(C)CC(NC(=O)C=C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004597704	1	43	-1.0	-45.49	340.80	5.95	-39.54
CC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597705	0	35	-1.0	-44.01	295.22	1.24	-42.77
CC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597705	1	35	-1.0	-43.98	295.27	1.26	-42.72
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CC1=CN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004597707	0	38	-1.0	-55.11	318.30	2.98	-52.13
CC1=CN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004597707	1	38	-1.0	-55.15	318.24	2.96	-52.19
CC(C)CC(NC(=O)C=C1CCCC1)C1=N[N-]N=N1	REAL250004597708	0	39	-1.0	-46.16	310.80	4.48	-41.68
CC(C)CC(NC(=O)C=C1CCCC1)C1=NN=N[N-]1	REAL250004597708	1	39	-1.0	-46.14	310.86	4.49	-41.65
CC1=NN(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597709	0	38	-1.0	-44.65	313.69	2.49	-42.16
CC1=NN(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597709	1	38	-1.0	-44.68	313.75	2.51	-42.17
CC(C)CC(NC(=O)CCC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597710	0	41	-1.0	-49.07	340.35	3.49	-45.58
CC(C)CC(NC(=O)CCC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597710	1	41	-1.0	-49.03	340.29	3.47	-45.56
CCC=C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597711	0	38	-1.0	-46.59	304.81	3.94	-42.65
CCC=C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597711	1	38	-1.0	-46.57	304.87	3.95	-42.62
CCCCSC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597712	0	44	-1.0	-47.88	362.04	5.36	-42.52
CCCCSC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597712	1	44	-1.0	-47.92	362.10	5.37	-42.55
CC1=CN(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004597713	0	41	-1.0	-46.31	340.40	3.55	-42.76
CC1=CN(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004597713	1	41	-1.0	-46.32	340.34	3.52	-42.80
CCOCCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597714	0	45	-1.0	-49.91	365.91	3.13	-46.78
CCOCCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597714	1	45	-1.0	-49.90	365.97	3.15	-46.75
CC(C)COC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597715	0	44	-1.0	-48.37	352.08	4.36	-44.01
CC(C)COC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597715	1	44	-1.0	-48.35	352.14	4.37	-43.98
CC(C)CC(NC(=O)CCC1=NC=CS1)C1=N[N-]N=N1	REAL250004597716	0	37	-1.0	-44.76	322.36	2.78	-41.98
CC(C)CC(NC(=O)CCC1=NC=CS1)C1=NN=N[N-]1	REAL250004597716	1	37	-1.0	-44.76	322.42	2.79	-41.97
CC(C)CCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597717	0	44	-1.0	-46.66	361.21	5.26	-41.40
CC(C)CCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597717	1	44	-1.0	-46.65	361.26	5.28	-41.37
CCCC(C)=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597718	0	41	-1.0	-45.16	328.61	4.72	-40.44
CCCC(C)=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597718	1	41	-1.0	-45.18	328.66	4.74	-40.44
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597719	0	34	-1.0	-45.88	300.56	2.06	-43.82
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597719	1	34	-1.0	-45.91	300.62	2.08	-43.83
CCOC(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597720	0	41	-1.0	-47.54	331.43	3.74	-43.80
CCOC(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597720	1	41	-1.0	-47.52	331.49	3.76	-43.76
CC(C)CC(NC(=O)C1CCOC1)C1=N[N-]N=N1	REAL250004597721	0	36	-1.0	-48.52	290.01	1.21	-47.31
CC(C)CC(NC(=O)C1CCOC1)C1=NN=N[N-]1	REAL250004597721	1	36	-1.0	-48.53	290.07	1.23	-47.30
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597722	0	38	-1.0	-47.30	328.23	4.74	-42.56
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597722	1	38	-1.0	-47.34	328.29	4.76	-42.58
CC(C)CC(NC(=O)C=C1CCCCC1)C1=N[N-]N=N1	REAL250004597723	0	42	-1.0	-46.04	326.76	4.99	-41.05
CC(C)CC(NC(=O)C=C1CCCCC1)C1=NN=N[N-]1	REAL250004597723	1	42	-1.0	-46.00	326.82	5.00	-41.00
CC(C)CC(NC(=O)CS(C)(=O)=O)C1=N[N-]N=N1	REAL250004597724	0	34	-1.0	-62.63	297.64	-1.16	-63.79
CC(C)CC(NC(=O)CS(C)(=O)=O)C1=NN=N[N-]1	REAL250004597724	1	34	-1.0	-62.61	297.70	-1.14	-63.75
CCS(=O)(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597725	0	37	-1.0	-62.26	319.07	-0.22	-62.48
CCS(=O)(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597725	1	37	-1.0	-62.23	319.12	-0.21	-62.44
CC(C)CC(NC(=O)CCN1CCOC1=O)C1=N[N-]N=N1	REAL250004597726	0	40	-1.0	-49.42	332.35	2.03	-47.39
CC(C)CC(NC(=O)CCN1CCOC1=O)C1=NN=N[N-]1	REAL250004597726	1	40	-1.0	-49.40	332.41	2.04	-47.36
CC(C)CC(NC(=O)C1=CC=CC2=C1CCC2)C1=N[N-]N=N1	REAL250004597727	0	42	-1.0	-48.77	333.94	6.08	-42.69
CC(C)CC(NC(=O)C1=CC=CC2=C1CCC2)C1=NN=N[N-]1	REAL250004597727	1	42	-1.0	-48.75	334.00	6.10	-42.65
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=C1	REAL250004597728	0	38	-1.0	-45.91	321.07	4.58	-41.33
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=C1	REAL250004597728	1	38	-1.0	-45.97	321.13	4.60	-41.37
CC(C)CC(NC(=O)C(C)OCC1CC1)C1=N[N-]N=N1	REAL250004597729	0	42	-1.0	-49.42	341.30	4.53	-44.89
CC(C)CC(NC(=O)C(C)OCC1CC1)C1=NN=N[N-]1	REAL250004597729	1	42	-1.0	-49.42	341.36	4.54	-44.88
CC(C)CC(NC(=O)COC(C)C)C1=N[N-]N=N1	REAL250004597730	0	38	-1.0	-48.35	310.96	2.91	-45.44
CC(C)CC(NC(=O)COC(C)C)C1=NN=N[N-]1	REAL250004597730	1	38	-1.0	-48.34	311.02	2.92	-45.42
CC(C)CC(NC(=O)CC(C)C1CC1)C1=N[N-]N=N1	REAL250004597731	0	41	-1.0	-45.05	324.00	4.67	-40.38
CC(C)CC(NC(=O)CC(C)C1CC1)C1=NN=N[N-]1	REAL250004597731	1	41	-1.0	-45.07	324.06	4.70	-40.37
CC(C)CC(NC(=O)CC1CCCCC1C)C1=N[N-]N=N1	REAL250004597732	0	47	-1.0	-45.55	346.36	5.36	-40.19
CC(C)CC(NC(=O)CC1CCCCC1C)C1=NN=N[N-]1	REAL250004597732	1	47	-1.0	-45.53	346.42	5.38	-40.15
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=CO1	REAL250004597733	0	34	-1.0	-46.38	290.14	-0.37	-46.75
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=CO1	REAL250004597733	1	34	-1.0	-46.37	290.08	-0.39	-46.76
CC(C)CC(NC(=O)CC(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004597734	0	45	-1.0	-45.06	354.54	6.12	-38.94
CC(C)CC(NC(=O)CC(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004597734	1	45	-1.0	-45.09	354.60	6.14	-38.95
CCC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004597735	0	37	-1.0	-45.51	322.09	2.79	-42.72
CCC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004597735	1	37	-1.0	-45.54	322.15	2.80	-42.74
CC(C)CC(NC(=O)CCCN1C=CN=C1)C1=N[N-]N=N1	REAL250004597736	0	41	-1.0	-51.88	339.50	5.21	-46.67
CC(C)CC(NC(=O)CCCN1C=CN=C1)C1=NN=N[N-]1	REAL250004597736	1	41	-1.0	-51.85	339.56	5.23	-46.62
C=CCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597737	0	39	-1.0	-48.33	324.96	3.58	-44.75
C=CCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597737	1	39	-1.0	-48.29	325.01	3.59	-44.70
CC(C)CC(NC(=O)CCC1=CSC=N1)C1=N[N-]N=N1	REAL250004597738	0	37	-1.0	-47.17	321.87	2.68	-44.49
CC(C)CC(NC(=O)CCC1=CSC=N1)C1=NN=N[N-]1	REAL250004597738	1	37	-1.0	-47.19	321.93	2.70	-44.49
CC(C)CC(NC(=O)C1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004597740	0	34	-1.0	-45.68	293.22	2.37	-43.31
CC(C)CC(NC(=O)C1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004597740	1	34	-1.0	-45.67	293.16	2.35	-43.32
CC(C)CC(NC(=O)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004597741	0	35	-1.0	-43.63	291.86	1.93	-41.70
CC(C)CC(NC(=O)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004597741	1	35	-1.0	-43.61	291.80	1.93	-41.68
CC(C)CC(NC(=O)CCCN1C=CC=N1)C1=NN=N[N-]1	REAL250004597742	0	41	-1.0	-52.44	340.03	3.70	-48.74
CC(C)CC(NC(=O)CCCN1C=CC=N1)C1=N[N-]N=N1	REAL250004597742	1	41	-1.0	-52.46	339.97	3.66	-48.80
COCCOCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597743	0	42	-1.0	-46.40	345.22	1.19	-45.21
COCCOCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597743	1	42	-1.0	-46.37	345.28	1.20	-45.17
CC(C)CC(NC(=O)C(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004597744	0	38	-1.0	-48.44	314.26	4.01	-44.43
CC(C)CC(NC(=O)C(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004597744	1	38	-1.0	-48.46	314.32	4.02	-44.44
CC(C)CC(NC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL250004597746	0	31	-1.0	-46.33	273.49	2.32	-44.01
CC(C)CC(NC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL250004597746	1	31	-1.0	-46.33	273.55	2.34	-43.99
CC(C)CC(NC(=O)C1CNC(=O)C1)C1=N[N-]N=N1	REAL250004597747	0	36	-1.0	-47.79	296.70	-0.56	-48.35
CC(C)CC(NC(=O)C1CNC(=O)C1)C1=NN=N[N-]1	REAL250004597747	1	36	-1.0	-47.84	296.76	-0.54	-48.38
CCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597748	0	38	-1.0	-48.20	312.14	3.02	-45.18
CCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597748	1	38	-1.0	-48.19	312.20	3.03	-45.16
CCCCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597749	0	44	-1.0	-48.32	353.43	4.48	-43.84
CCCCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597749	1	44	-1.0	-48.35	353.49	4.50	-43.85
CC(C)CCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597750	0	44	-1.0	-48.16	351.25	4.27	-43.89
CC(C)CCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597750	1	44	-1.0	-48.17	351.31	4.29	-43.88
CC(C)CCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597751	0	47	-1.0	-48.21	371.00	5.00	-43.21
CC(C)CCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597751	1	47	-1.0	-48.23	371.05	5.02	-43.21
COCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597752	0	41	-1.0	-45.56	332.78	2.47	-43.09
COCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597752	1	41	-1.0	-45.60	332.84	2.48	-43.12
CC(C)CC(NC(=O)CCCC(N)=O)C1=N[N-]N=N1	REAL250004597753	0	38	-1.0	-57.14	315.29	-0.53	-57.67
CC(C)CC(NC(=O)CCCC(N)=O)C1=NN=N[N-]1	REAL250004597753	1	38	-1.0	-57.10	315.35	-0.52	-57.62
C=CCCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597754	0	42	-1.0	-48.41	344.79	4.23	-44.18
C=CCCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597754	1	42	-1.0	-48.44	344.85	4.25	-44.19
CC(C)CC(NC(=O)C=CC1=CSC=N1)C1=N[N-]N=N1	REAL250004597756	0	35	-1.0	-47.98	312.44	2.56	-45.42
CC(C)CC(NC(=O)C=CC1=CSC=N1)C1=NN=N[N-]1	REAL250004597756	1	35	-1.0	-47.97	312.50	2.58	-45.39
CC(C)CC(NC(=O)C(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597757	0	37	-1.0	-45.87	317.10	1.79	-44.08
CC(C)CC(NC(=O)C(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597757	1	37	-1.0	-45.91	317.16	1.81	-44.10
CCC(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597758	0	38	-1.0	-47.37	309.58	2.78	-44.59
CCC(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597758	1	38	-1.0	-47.36	309.63	2.80	-44.56
CC(C)CC(NC(=O)CCN1CCOCC1)C1=N[N-]N=N1	REAL250004597759	0	44	-1.0	-45.57	344.50	0.33	-45.24
CC(C)CC(NC(=O)CCN1CCOCC1)C1=NN=N[N-]1	REAL250004597759	1	44	-1.0	-45.55	344.55	0.35	-45.20
CC(C)CC(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004597760	0	40	-1.0	-47.95	331.70	3.87	-44.08
CC(C)CC(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004597760	1	40	-1.0	-47.94	331.76	3.88	-44.06
CC(C)CC(NC(=O)CCN1C=CN=C1)C1=N[N-]N=N1	REAL250004597761	0	38	-1.0	-45.01	318.00	4.41	-40.60
CC(C)CC(NC(=O)CCN1C=CN=C1)C1=NN=N[N-]1	REAL250004597761	1	38	-1.0	-44.93	318.06	4.42	-40.51
CC(C)CC(NC(=O)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597762	0	38	-1.0	-48.71	319.04	2.66	-46.05
CC(C)CC(NC(=O)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597762	1	38	-1.0	-48.74	318.99	2.65	-46.09
CCN1N=C(C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597763	0	41	-1.0	-44.38	335.32	3.34	-41.04
CCN1N=C(C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597763	1	41	-1.0	-44.35	335.37	3.36	-40.99
CC(C)CC(NC(=O)COC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004597764	0	38	-1.0	-49.12	319.93	3.00	-46.12
CC(C)CC(NC(=O)COC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004597764	1	38	-1.0	-49.10	319.87	2.99	-46.11
CC(C)CC(NC(=O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004597765	0	44	-1.0	-44.94	328.36	4.83	-40.11
CC(C)CC(NC(=O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004597765	1	44	-1.0	-44.92	328.41	4.84	-40.08
COC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597766	0	38	-1.0	-48.10	308.88	2.47	-45.63
COC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597766	1	38	-1.0	-48.10	308.94	2.49	-45.61
CC(C)CC(NC(=O)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004597767	0	35	-1.0	-52.91	302.40	4.33	-48.58
CC(C)CC(NC(=O)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004597767	1	35	-1.0	-52.97	302.45	4.34	-48.63
CC(C)CC(NC(=O)CC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004597768	0	47	-1.0	-45.55	356.80	5.72	-39.83
CC(C)CC(NC(=O)CC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004597768	1	47	-1.0	-45.54	356.86	5.74	-39.80
CC(C)CC(NC(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004597769	0	39	-1.0	-46.91	336.98	5.23	-41.68
CC(C)CC(NC(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004597769	1	39	-1.0	-46.91	337.03	5.24	-41.67
CC(C)CC(NC(=O)C(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004597770	0	44	-1.0	-46.13	334.58	0.17	-45.96
CC(C)CC(NC(=O)C(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004597770	1	44	-1.0	-46.15	334.64	0.18	-45.97
CCCC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597771	0	43	-1.0	-44.99	334.02	4.67	-40.32
CCCC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597771	1	43	-1.0	-45.01	334.08	4.69	-40.32
CC1=CC=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597772	0	41	-1.0	-46.97	337.58	5.52	-41.45
CC1=CC=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597772	1	41	-1.0	-46.99	337.63	5.54	-41.45
CCOCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597773	0	38	-1.0	-43.95	311.60	1.93	-42.02
CCOCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597773	1	38	-1.0	-43.92	311.66	1.94	-41.98
CC(C)CC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597774	0	46	-1.0	-45.05	351.22	5.14	-39.91
CC(C)CC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597774	1	46	-1.0	-45.01	351.28	5.16	-39.85
CC1=CC=C(F)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597775	0	38	-1.0	-51.39	317.45	4.91	-46.48
CC1=CC=C(F)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597775	1	38	-1.0	-51.35	317.51	4.93	-46.42
CC(C)CC(NC(=O)CCN1CCCC1=O)C1=N[N-]N=N1	REAL250004597776	0	42	-1.0	-55.08	342.13	2.95	-52.13
CC(C)CC(NC(=O)CCN1CCCC1=O)C1=NN=N[N-]1	REAL250004597776	1	42	-1.0	-55.18	342.19	2.96	-52.22
CC(C)CC(NC(=O)C1CCCOC1)C1=N[N-]N=N1	REAL250004597777	0	39	-1.0	-44.55	308.38	2.04	-42.51
CC(C)CC(NC(=O)C1CCCOC1)C1=NN=N[N-]1	REAL250004597777	1	39	-1.0	-44.53	308.44	2.05	-42.48
CC(C)CC(NC(=O)C1=CSC=N1)C1=NN=N[N-]1	REAL250004597778	0	31	-1.0	-47.68	278.80	1.18	-46.50
CC(C)CC(NC(=O)C1=CSC=N1)C1=N[N-]N=N1	REAL250004597778	1	31	-1.0	-47.71	278.74	1.17	-46.54
CCNC(=O)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597779	0	44	-1.0	-57.16	358.71	1.79	-55.37
CCNC(=O)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597779	1	44	-1.0	-57.14	358.77	1.81	-55.33
CCNC(=O)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597780	0	41	-1.0	-45.62	337.21	1.01	-44.61
CCNC(=O)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597780	1	41	-1.0	-45.57	337.27	1.03	-44.54
CCCNC(=O)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597781	0	44	-1.0	-45.47	358.71	1.78	-43.69
CCCNC(=O)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597781	1	44	-1.0	-45.46	358.77	1.79	-43.67
CC(C)CC(NC(=O)C1=COCC1)C1=N[N-]N=N1	REAL250004597782	0	34	-1.0	-46.25	282.76	1.75	-44.50
CC(C)CC(NC(=O)C1=COCC1)C1=NN=N[N-]1	REAL250004597782	1	34	-1.0	-46.27	282.82	1.77	-44.50
CCC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597783	0	38	-1.0	-43.90	315.08	0.36	-43.54
CCC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597783	1	38	-1.0	-43.91	315.14	0.37	-43.54
COC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=C1	REAL250004597784	0	36	-1.0	-52.96	311.76	3.47	-49.49
COC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=C1	REAL250004597784	1	36	-1.0	-52.95	311.82	3.48	-49.47
CC(C)CC(NC(=O)C1=CN2C=CN=C2C=C1)C1=N[N-]N=N1	REAL250004597785	0	38	-1.0	-45.66	317.82	4.73	-40.93
CC(C)CC(NC(=O)C1=CN2C=CN=C2C=C1)C1=NN=N[N-]1	REAL250004597785	1	38	-1.0	-45.64	317.88	4.75	-40.89
CC(C)CC(NC(=O)CNCC(F)(F)F)C1=N[N-]N=N1	REAL250004597786	0	36	-1.0	-47.76	313.14	0.52	-47.24
CC(C)CC(NC(=O)CNCC(F)(F)F)C1=NN=N[N-]1	REAL250004597786	1	36	-1.0	-47.80	313.20	0.53	-47.27
CC(C)CC(NC(=O)C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004597787	0	35	-1.0	-50.79	297.15	2.01	-48.78
CC(C)CC(NC(=O)C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004597787	1	35	-1.0	-50.78	297.09	2.00	-48.78
COCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597788	0	39	-1.0	-50.86	324.31	1.43	-49.43
COCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597788	1	39	-1.0	-50.86	324.37	1.44	-49.42
CCCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597789	0	40	-1.0	-45.59	315.28	3.93	-41.66
CCCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597789	1	40	-1.0	-45.57	315.34	3.94	-41.63
CC(C)CC(NC(=O)C1=CN=C(C(C)C)N1)C1=N[N-]N=N1	REAL250004597790	0	41	-1.0	-46.25	335.93	2.77	-43.48
CC(C)CC(NC(=O)C1=CN=C(C(C)C)N1)C1=NN=N[N-]1	REAL250004597790	1	41	-1.0	-46.30	335.99	2.79	-43.51
CC(C)CC(NC(=O)C1=CN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL250004597791	0	39	-1.0	-49.89	326.09	5.80	-44.09
CC(C)CC(NC(=O)C1=CN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL250004597791	1	39	-1.0	-49.90	326.15	5.82	-44.08
CC(C)CC(NC(=O)CN(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL250004597792	0	42	-1.0	-49.24	344.72	3.43	-45.81
CC(C)CC(NC(=O)CN(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL250004597792	1	42	-1.0	-49.28	344.78	3.45	-45.83
COCC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597793	0	42	-1.0	-57.89	349.89	0.38	-57.51
COCC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597793	1	42	-1.0	-57.87	349.95	0.39	-57.48
CC(C)CC(NC(=O)CSCC(N)=O)C1=N[N-]N=N1	REAL250004597794	0	36	-1.0	-57.06	316.61	-0.70	-57.76
CC(C)CC(NC(=O)CSCC(N)=O)C1=NN=N[N-]1	REAL250004597794	1	36	-1.0	-57.14	316.67	-0.69	-57.83
CC1=NON=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597795	0	33	-1.0	-39.21	284.88	1.41	-37.80
CC1=NON=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597795	1	33	-1.0	-39.20	284.94	1.42	-37.78
CC(C)CC(NC(=O)C1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004597797	0	38	-1.0	-52.94	319.02	3.93	-49.01
CC(C)CC(NC(=O)C1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004597797	1	38	-1.0	-52.93	318.97	3.92	-49.01
CC(C)CC(NC(=O)C1=COC=N1)C1=NN=N[N-]1	REAL250004597798	0	31	-1.0	-46.80	270.54	-1.18	-47.98
CC(C)CC(NC(=O)C1=COC=N1)C1=N[N-]N=N1	REAL250004597798	1	31	-1.0	-46.82	270.48	-1.20	-48.02
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004597799	0	36	-1.0	-46.60	315.92	3.66	-42.94
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004597799	1	36	-1.0	-46.60	315.97	3.68	-42.92
CC(C)CC(NC(=O)CC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004597800	0	39	-1.0	-53.75	317.41	0.55	-53.20
CC(C)CC(NC(=O)CC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004597800	1	39	-1.0	-53.77	317.47	0.57	-53.20
CC(C)CC(NC(=O)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004597801	0	42	-1.0	-44.92	337.03	5.93	-38.99
CC(C)CC(NC(=O)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004597801	1	42	-1.0	-44.99	337.09	5.95	-39.04
CC(C)CC(NC(=O)[C@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004597802	0	36	-1.0	-51.31	298.46	-0.25	-51.56
CC(C)CC(NC(=O)[C@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004597802	1	36	-1.0	-51.30	298.52	-0.24	-51.54
COC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597804	0	39	-1.0	-51.50	327.74	-0.43	-51.93
COC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597804	1	39	-1.0	-51.51	327.80	-0.42	-51.93
CC(C)CC(NC(=O)C1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004597805	0	34	-1.0	-42.90	292.91	2.38	-40.52
CC(C)CC(NC(=O)C1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004597805	1	34	-1.0	-42.96	292.85	2.37	-40.59
CC(C)CC(NC(=O)C1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004597806	0	39	-1.0	-51.91	322.86	4.23	-47.68
CC(C)CC(NC(=O)C1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004597806	1	39	-1.0	-51.96	322.80	4.22	-47.74
COC(=O)NCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597807	0	42	-1.0	-48.05	349.20	0.41	-47.64
COC(=O)NCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597807	1	42	-1.0	-48.03	349.26	0.42	-47.61
CC(C)CC(NC(=O)C1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL250004597809	0	38	-1.0	-59.40	313.76	3.31	-56.09
CC(C)CC(NC(=O)C1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL250004597809	1	38	-1.0	-59.37	313.82	3.32	-56.05
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597810	0	36	-1.0	-46.70	313.79	3.51	-43.19
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597810	1	36	-1.0	-46.67	313.85	3.52	-43.15
CC(C)CC(NC(=O)CC1=CCCCC1)C1=N[N-]N=N1	REAL250004597811	0	42	-1.0	-45.98	331.96	5.12	-40.86
CC(C)CC(NC(=O)CC1=CCCCC1)C1=NN=N[N-]1	REAL250004597811	1	42	-1.0	-45.98	332.02	5.14	-40.84
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004597812	0	35	-1.0	-47.44	295.42	1.55	-45.89
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004597812	1	35	-1.0	-47.42	295.48	1.57	-45.85
CCC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004597813	0	46	-1.0	-44.86	339.97	4.77	-40.09
CCC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004597813	1	46	-1.0	-44.85	340.03	4.78	-40.07
COCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597814	0	38	-1.0	-44.03	308.49	1.64	-42.39
COCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597814	1	38	-1.0	-44.05	308.55	1.66	-42.39
CC(C)CC(NC(=O)CCCC(C)(C)C)C1=N[N-]N=N1	REAL250004597815	0	46	-1.0	-45.37	354.30	5.13	-40.24
CC(C)CC(NC(=O)CCCC(C)(C)C)C1=NN=N[N-]1	REAL250004597815	1	46	-1.0	-45.35	354.36	5.15	-40.20
C=CCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597816	0	36	-1.0	-48.82	303.55	2.79	-46.03
C=CCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597816	1	36	-1.0	-48.85	303.61	2.80	-46.05
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1F	REAL250004597817	0	38	-1.0	-44.50	318.13	4.91	-39.59
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1F	REAL250004597817	1	38	-1.0	-44.51	318.19	4.92	-39.59
CC(C)CC(NC(=O)COCC1CCCO1)C1=N[N-]N=N1	REAL250004597818	0	43	-1.0	-53.74	347.77	2.65	-51.09
CC(C)CC(NC(=O)COCC1CCCO1)C1=NN=N[N-]1	REAL250004597818	1	43	-1.0	-53.75	347.82	2.67	-51.08
CC(C)CC(NC(=O)C1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004597819	0	38	-1.0	-51.32	320.19	4.50	-46.82
CC(C)CC(NC(=O)C1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004597819	1	38	-1.0	-51.31	320.25	4.51	-46.80
CC(C)CC(NC(=O)C=CC1CCOCC1)C1=N[N-]N=N1	REAL250004597820	0	43	-1.0	-46.63	344.11	3.41	-43.22
CC(C)CC(NC(=O)C=CC1CCOCC1)C1=NN=N[N-]1	REAL250004597820	1	43	-1.0	-46.64	344.17	3.43	-43.21
CC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597821	0	38	-1.0	-49.74	314.64	2.52	-47.22
CC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597821	1	38	-1.0	-49.77	314.70	2.53	-47.24
CSC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597822	0	36	-1.0	-44.39	318.93	3.39	-41.00
CSC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597822	1	36	-1.0	-44.40	318.98	3.40	-41.00
CCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597823	0	38	-1.0	-47.27	318.11	2.80	-44.47
CCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597823	1	38	-1.0	-47.22	318.05	2.78	-44.44
COC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004597824	0	37	-1.0	-44.53	313.58	-1.11	-45.64
COC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004597824	1	37	-1.0	-44.56	313.52	-1.12	-45.68
CCCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597825	0	41	-1.0	-48.27	333.64	3.80	-44.47
CCCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597825	1	41	-1.0	-48.29	333.70	3.81	-44.48
CC(C)CC(NC(=O)C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004597826	0	39	-1.0	-40.66	313.39	2.96	-37.70
CC(C)CC(NC(=O)C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004597826	1	39	-1.0	-40.67	313.45	2.97	-37.70
CC(C)CC(NC(=O)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597827	0	39	-1.0	-46.03	324.24	2.88	-43.15
CC(C)CC(NC(=O)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597827	1	39	-1.0	-46.08	324.30	2.89	-43.19
CCCCCC(O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597828	0	47	-1.0	-49.02	372.78	3.32	-45.70
CCCCCC(O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597828	1	47	-1.0	-49.05	372.84	3.34	-45.71
CC(C)CC(NC(=O)CC1CCOCC1)C1=N[N-]N=N1	REAL250004597829	0	42	-1.0	-44.89	327.08	2.74	-42.15
CC(C)CC(NC(=O)CC1CCOCC1)C1=NN=N[N-]1	REAL250004597829	1	42	-1.0	-44.87	327.13	2.75	-42.12
CSCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597830	0	38	-1.0	-43.68	318.21	3.70	-39.98
CSCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597830	1	38	-1.0	-43.68	318.27	3.71	-39.97
CC1=CC(=O)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CN1	REAL250004597831	0	38	-1.0	-57.96	315.68	2.76	-55.20
CC1=CC(=O)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CN1	REAL250004597831	1	38	-1.0	-57.99	315.73	2.78	-55.21
CC1=CC=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597832	0	37	-1.0	-45.18	302.76	3.08	-42.10
CC1=CC=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597832	1	37	-1.0	-45.15	302.81	3.10	-42.05
CCN1CCOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004597833	0	44	-1.0	-47.77	344.37	1.41	-46.36
CCN1CCOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004597833	1	44	-1.0	-47.80	344.43	1.43	-46.37
CC(C)CC(NC(=O)C1CCCC(C)C1)C1=N[N-]N=N1	REAL250004597834	0	44	-1.0	-45.34	338.13	5.03	-40.31
CC(C)CC(NC(=O)C1CCCC(C)C1)C1=NN=N[N-]1	REAL250004597834	1	44	-1.0	-45.35	338.18	5.04	-40.31
CC(C)CC(NC(=O)CCC1CC1)C1=N[N-]N=N1	REAL250004597835	0	38	-1.0	-45.17	309.22	4.18	-40.99
CC(C)CC(NC(=O)CCC1CC1)C1=NN=N[N-]1	REAL250004597835	1	38	-1.0	-45.17	309.28	4.20	-40.97
CC(C)CC(NC(=O)CCCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004597836	0	44	-1.0	-57.75	355.64	2.91	-54.84
CC(C)CC(NC(=O)CCCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004597836	1	44	-1.0	-57.78	355.70	2.93	-54.85
CC(C)CC(NC(=O)COC1CCOCC1)C1=N[N-]N=N1	REAL250004597837	0	43	-1.0	-50.17	343.73	2.49	-47.68
CC(C)CC(NC(=O)COC1CCOCC1)C1=NN=N[N-]1	REAL250004597837	1	43	-1.0	-50.23	343.79	2.50	-47.73
CCCCC(CC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597838	0	49	-1.0	-45.23	369.65	5.94	-39.29
CCCCC(CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597838	1	49	-1.0	-45.27	369.71	5.96	-39.31
CC(C)CC(NC(=O)C(C)C(C)C)C1=N[N-]N=N1	REAL250004597839	0	40	-1.0	-45.16	309.63	3.77	-41.39
CC(C)CC(NC(=O)C(C)C(C)C)C1=NN=N[N-]1	REAL250004597839	1	40	-1.0	-45.18	309.69	3.78	-41.40
CC(C)CC(NC(=O)C1CCSCC1)C1=N[N-]N=N1	REAL250004597840	0	39	-1.0	-45.50	316.62	4.14	-41.36
CC(C)CC(NC(=O)C1CCSCC1)C1=NN=N[N-]1	REAL250004597840	1	39	-1.0	-45.49	316.68	4.16	-41.33
CC(C)CC(NC(=O)C1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004597841	0	41	-1.0	-49.91	337.18	3.34	-46.57
CC(C)CC(NC(=O)C1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004597841	1	41	-1.0	-49.87	337.12	3.32	-46.55
CC(C)CC(NC(=O)CC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004597842	0	47	-1.0	-45.62	349.77	5.50	-40.12
CC(C)CC(NC(=O)CC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004597842	1	47	-1.0	-45.60	349.82	5.52	-40.08
CC(C)CC(NC(=O)C(C)CC1CCCC1)C1=N[N-]N=N1	REAL250004597843	0	47	-1.0	-46.05	357.63	5.75	-40.30
CC(C)CC(NC(=O)C(C)CC1CCCC1)C1=NN=N[N-]1	REAL250004597843	1	47	-1.0	-46.05	357.69	5.77	-40.28
CC(C)CC(NC(=O)CCC1CCCCO1)C1=N[N-]N=N1	REAL250004597844	0	45	-1.0	-47.17	352.18	3.79	-43.38
CC(C)CC(NC(=O)CCC1CCCCO1)C1=NN=N[N-]1	REAL250004597844	1	45	-1.0	-47.19	352.24	3.80	-43.39
CC(C)CC(NC(=O)C1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004597845	0	35	-1.0	-44.53	309.58	2.90	-41.63
CC(C)CC(NC(=O)C1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004597845	1	35	-1.0	-44.54	309.52	2.88	-41.66
CC(C)CC(NC(=O)C1=CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004597846	0	40	-1.0	-41.56	332.63	3.49	-38.07
CC(C)CC(NC(=O)C1=CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004597846	1	40	-1.0	-41.60	332.69	3.51	-38.09
CC(C)CC(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004597847	0	37	-1.0	-47.11	310.95	3.05	-44.06
CC(C)CC(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004597847	1	37	-1.0	-47.10	311.01	3.07	-44.03
CC(C)CC(NC(=O)C1CCCN1C)C1=N[N-]N=N1	REAL250004597848	1	40	-1.0	-48.16	316.88	1.36	-46.80
CC(C)CC(NC(=O)C1CCCN1C)C1=NN=N[N-]1	REAL250004597848	1	40	-1.0	-48.17	316.94	1.37	-46.80
CC1=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004597849	0	37	-1.0	-55.10	312.28	3.02	-52.08
CC1=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004597849	1	37	-1.0	-55.10	312.34	3.04	-52.06
CC(C)CC(NC(=O)CC1(O)CCCCC1)C1=N[N-]N=N1	REAL250004597850	0	45	-1.0	-49.53	342.97	3.08	-46.45
CC(C)CC(NC(=O)CC1(O)CCCCC1)C1=NN=N[N-]1	REAL250004597850	1	45	-1.0	-49.52	343.02	3.09	-46.43
CC(C)CC(NC(=O)C(C)OC1CCCC1)C1=N[N-]N=N1	REAL250004597851	0	45	-1.0	-48.51	351.95	4.79	-43.72
CC(C)CC(NC(=O)C(C)OC1CCCC1)C1=NN=N[N-]1	REAL250004597851	1	45	-1.0	-48.48	352.01	4.81	-43.67
CC(C)CC(NC(=O)C1CC2CCC1O2)C1=N[N-]N=N1	REAL250004597852	0	40	-1.0	-44.65	309.79	2.20	-42.45
CC(C)CC(NC(=O)C1CC2CCC1O2)C1=NN=N[N-]1	REAL250004597852	1	40	-1.0	-44.65	309.85	2.22	-42.43
CC(C)CC(NC(=O)C1=NC=CN=C1N)C1=NN=N[N-]1	REAL250004597853	0	35	-1.0	-45.64	293.43	-0.29	-45.93
CC(C)CC(NC(=O)C1=NC=CN=C1N)C1=N[N-]N=N1	REAL250004597853	1	35	-1.0	-45.59	293.38	-0.30	-45.89
CC(C)CC(NC(=O)C(=O)NC1CC1)C1=N[N-]N=N1	REAL250004597854	0	36	-1.0	-41.41	304.99	0.40	-41.01
CC(C)CC(NC(=O)C(=O)NC1CC1)C1=NN=N[N-]1	REAL250004597854	1	36	-1.0	-41.39	305.04	0.41	-40.98
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=NN1C	REAL250004597855	0	37	-1.0	-47.40	309.09	1.03	-46.37
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=NN1C	REAL250004597855	1	37	-1.0	-47.43	309.15	1.05	-46.38
CC(C)CC(NC(=O)C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL250004597856	0	38	-1.0	-45.53	324.02	4.59	-40.94
CC(C)CC(NC(=O)C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL250004597856	1	38	-1.0	-45.51	324.08	4.60	-40.91
CC(C)CC(NC(=O)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004597857	0	43	-1.0	-45.23	332.84	4.31	-40.92
CC(C)CC(NC(=O)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004597857	1	43	-1.0	-45.27	332.90	4.32	-40.95
CC(C)CC(NC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004597858	0	34	-1.0	-43.58	305.48	2.99	-40.59
CC(C)CC(NC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004597858	1	34	-1.0	-43.63	305.42	2.98	-40.65
CC(C)CC(NC(=O)CC1(O)CCCC1)C1=N[N-]N=N1	REAL250004597859	0	42	-1.0	-43.38	325.72	2.48	-40.90
CC(C)CC(NC(=O)CC1(O)CCCC1)C1=NN=N[N-]1	REAL250004597859	1	42	-1.0	-43.38	325.78	2.49	-40.89
CC(C)CC(NC(=O)C1CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004597860	0	39	-1.0	-45.45	321.38	5.38	-40.07
CC(C)CC(NC(=O)C1CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004597860	1	39	-1.0	-45.48	321.44	5.39	-40.09
CC(C)CC(NC(=O)C(C)C1=CSC=C1)C1=N[N-]N=N1	REAL250004597861	0	38	-1.0	-47.29	323.17	4.41	-42.88
CC(C)CC(NC(=O)C(C)C1=CSC=C1)C1=NN=N[N-]1	REAL250004597861	1	38	-1.0	-47.27	323.22	4.43	-42.84
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=CO1	REAL250004597862	0	37	-1.0	-46.92	310.05	0.38	-46.54
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=CO1	REAL250004597862	1	37	-1.0	-46.91	309.99	0.37	-46.54
CCCCSCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597864	0	44	-1.0	-43.37	365.31	5.55	-37.82
CCCCSCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597864	1	44	-1.0	-43.37	365.37	5.57	-37.80
CC(C)CC(NC(=O)C=CC1CCCCC1)C1=N[N-]N=N1	REAL250004597865	0	45	-1.0	-45.44	353.17	5.81	-39.63
CC(C)CC(NC(=O)C=CC1CCCCC1)C1=NN=N[N-]1	REAL250004597865	1	45	-1.0	-45.48	353.22	5.82	-39.66
CC(C)CC(NC(=O)C=C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004597866	0	45	-1.0	-46.03	347.55	5.60	-40.43
CC(C)CC(NC(=O)C=C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004597866	1	45	-1.0	-46.00	347.61	5.61	-40.39
CSCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597867	0	41	-1.0	-45.26	343.84	4.64	-40.62
CSCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597867	1	41	-1.0	-45.29	343.90	4.65	-40.64
CC(C)CC(NC(=O)CC1CCOC1)C1=N[N-]N=N1	REAL250004597868	0	39	-1.0	-47.93	310.33	1.91	-46.02
CC(C)CC(NC(=O)CC1CCOC1)C1=NN=N[N-]1	REAL250004597868	1	39	-1.0	-47.94	310.39	1.94	-46.00
CC(C)CC(NC(=O)CC1=NNC=C1)C1=N[N-]N=N1	REAL250004597869	0	35	-1.0	-54.18	295.23	1.30	-52.88
CC(C)CC(NC(=O)CC1=NNC=C1)C1=NN=N[N-]1	REAL250004597869	1	35	-1.0	-54.20	295.29	1.32	-52.88
CC(C)CC(NC(=O)C1=CCCCO1)C1=N[N-]N=N1	REAL250004597870	0	37	-1.0	-45.44	300.56	2.60	-42.84
CC(C)CC(NC(=O)C1=CCCCO1)C1=NN=N[N-]1	REAL250004597870	1	37	-1.0	-45.41	300.62	2.62	-42.79
CC(C)CC(NC(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004597871	0	44	-1.0	-45.59	331.59	4.88	-40.71
CC(C)CC(NC(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004597871	1	44	-1.0	-45.59	331.65	4.90	-40.69
COC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL250004597873	0	37	-1.0	-44.19	316.04	-0.44	-44.63
COC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL250004597873	1	37	-1.0	-44.19	315.98	-0.45	-44.64
CC(C)CC(NC(=O)C1=CC=NC=C1F)C1=NN=N[N-]1	REAL250004597874	0	34	-1.0	-48.36	291.43	2.51	-45.85
CC(C)CC(NC(=O)C1=CC=NC=C1F)C1=N[N-]N=N1	REAL250004597874	1	34	-1.0	-48.39	291.37	2.50	-45.89
CC(C)CC(NC(=O)C(O)C1CCOCC1)C1=N[N-]N=N1	REAL250004597876	0	43	-1.0	-44.20	334.88	1.02	-43.18
CC(C)CC(NC(=O)C(O)C1CCOCC1)C1=NN=N[N-]1	REAL250004597876	1	43	-1.0	-44.22	334.94	1.03	-43.19
CC(C)CC(NC(=O)C1CCCCCCC1)C1=N[N-]N=N1	REAL250004597878	0	47	-1.0	-45.43	338.74	5.30	-40.13
CC(C)CC(NC(=O)C1CCCCCCC1)C1=NN=N[N-]1	REAL250004597878	1	47	-1.0	-45.42	338.80	5.31	-40.11
CC(C)CC(NC(=O)C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004597879	0	38	-1.0	-50.28	315.96	3.99	-46.29
CC(C)CC(NC(=O)C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004597879	1	38	-1.0	-50.32	316.02	4.00	-46.32
CC1=CC(F)=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597880	0	38	-1.0	-44.59	319.37	4.92	-39.67
CC1=CC(F)=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597880	1	38	-1.0	-44.62	319.42	4.93	-39.69
CC(C)CC(NC(=O)CC1CCC1)C1=N[N-]N=N1	REAL250004597881	0	38	-1.0	-45.90	304.07	3.93	-41.97
CC(C)CC(NC(=O)CC1CCC1)C1=NN=N[N-]1	REAL250004597881	1	38	-1.0	-45.90	304.13	3.94	-41.96
CC(C)CC(NC(=O)CCC1CCC(C)O1)C1=N[N-]N=N1	REAL250004597882	0	45	-1.0	-47.45	355.28	3.72	-43.73
CC(C)CC(NC(=O)CCC1CCC(C)O1)C1=NN=N[N-]1	REAL250004597882	1	45	-1.0	-47.50	355.34	3.74	-43.76
CCC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597883	0	43	-1.0	-44.27	323.53	4.22	-40.05
CCC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597883	1	43	-1.0	-44.29	323.59	4.24	-40.05
CC(C)CC(NC(=O)C1CCCS1)C1=N[N-]N=N1	REAL250004597884	0	36	-1.0	-49.03	300.59	3.51	-45.52
CC(C)CC(NC(=O)C1CCCS1)C1=NN=N[N-]1	REAL250004597884	1	36	-1.0	-48.98	300.64	3.52	-45.46
COCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004597885	0	38	-1.0	-46.51	325.80	1.31	-45.20
COCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004597885	1	38	-1.0	-46.52	325.86	1.32	-45.20
CC(C)CC(NC(=O)C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004597886	0	34	-1.0	-45.71	299.50	2.94	-42.77
CC(C)CC(NC(=O)C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004597886	1	34	-1.0	-45.69	299.44	2.92	-42.77
CC(C)CC(NC(=O)CCC1CCOCC1)C1=N[N-]N=N1	REAL250004597887	0	45	-1.0	-47.13	349.44	3.42	-43.71
CC(C)CC(NC(=O)CCC1CCOCC1)C1=NN=N[N-]1	REAL250004597887	1	45	-1.0	-47.16	349.50	3.43	-43.73
CC1=CC=C(C(C)C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597888	0	41	-1.0	-49.06	337.86	4.84	-44.22
CC1=CC=C(C(C)C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597888	1	41	-1.0	-49.06	337.92	4.86	-44.20
CC(C)CC(NC(=O)C1CN(C)CCO1)C1=N[N-]N=N1	REAL250004597889	0	41	-1.0	-47.91	326.23	0.63	-47.28
CC(C)CC(NC(=O)C1CN(C)CCO1)C1=NN=N[N-]1	REAL250004597889	1	41	-1.0	-47.95	326.29	0.64	-47.31
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597890	0	37	-1.0	-44.81	310.42	0.27	-44.54
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597890	1	37	-1.0	-44.82	310.48	0.28	-44.54
CC(C)CC(NC(=O)CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004597891	0	38	-1.0	-57.90	309.93	2.87	-55.03
CC(C)CC(NC(=O)CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004597891	1	38	-1.0	-57.85	309.99	2.88	-54.97
CC(C)CC(NC(=O)CCCC1CCCC1)C1=N[N-]N=N1	REAL250004597892	0	47	-1.0	-45.66	363.27	6.05	-39.61
CC(C)CC(NC(=O)CCCC1CCCC1)C1=NN=N[N-]1	REAL250004597892	1	47	-1.0	-45.68	363.33	6.07	-39.61
CCCCCCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597893	0	49	-1.0	-45.62	379.73	6.30	-39.32
CCCCCCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597893	1	49	-1.0	-45.54	379.80	6.31	-39.23
CC(C)CC(NC(=O)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004597894	0	34	-1.0	-45.79	291.48	2.89	-42.90
CC(C)CC(NC(=O)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004597894	1	34	-1.0	-45.80	291.54	2.90	-42.90
CCCCCC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597895	0	49	-1.0	-45.06	377.06	6.20	-38.86
CCCCCC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597895	1	49	-1.0	-45.04	377.12	6.21	-38.83
CC(C)CC(NC(=O)C1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004597896	0	35	-1.0	-49.26	296.18	1.06	-48.20
CC(C)CC(NC(=O)C1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004597896	1	35	-1.0	-49.28	296.24	1.07	-48.21
CC(C)CC(NC(=O)CCC1CCC1)C1=N[N-]N=N1	REAL250004597897	0	41	-1.0	-45.52	325.89	4.72	-40.80
CC(C)CC(NC(=O)CCC1CCC1)C1=NN=N[N-]1	REAL250004597897	1	41	-1.0	-45.56	325.95	4.74	-40.82
CC(C)CC(NC(=O)C(C)C1CCCC1)C1=N[N-]N=N1	REAL250004597898	0	44	-1.0	-46.37	335.33	5.00	-41.37
CC(C)CC(NC(=O)C(C)C1CCCC1)C1=NN=N[N-]1	REAL250004597898	1	44	-1.0	-46.36	335.39	5.02	-41.34
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(F)=C1	REAL250004597899	0	38	-1.0	-51.60	317.45	4.92	-46.68
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(F)=C1	REAL250004597899	1	38	-1.0	-51.64	317.51	4.93	-46.71
CC(C)CC(NC(=O)C1=CC(C(N)=O)=CN1)C1=N[N-]N=N1	REAL250004597900	0	37	-1.0	-58.89	315.61	-1.27	-60.16
CC(C)CC(NC(=O)C1=CC(C(N)=O)=CN1)C1=NN=N[N-]1	REAL250004597900	1	37	-1.0	-58.85	315.67	-1.26	-60.11
CC1=CSC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597901	0	35	-1.0	-46.36	299.77	3.78	-42.58
CC1=CSC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597901	1	35	-1.0	-46.33	299.83	3.80	-42.53
CC(C)CC(NC(=O)C1=C2NC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004597902	0	39	-1.0	-48.04	320.67	4.38	-43.66
CC(C)CC(NC(=O)C1=C2NC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004597902	1	39	-1.0	-48.03	320.61	4.36	-43.67
CC(C)CC(NC(=O)C1=CC=C(C#N)S1)C1=N[N-]N=N1	REAL250004597903	0	33	-1.0	-43.20	305.29	3.76	-39.44
CC(C)CC(NC(=O)C1=CC=C(C#N)S1)C1=NN=N[N-]1	REAL250004597903	1	33	-1.0	-43.21	305.35	3.78	-39.43
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597904	0	38	-1.0	-46.18	315.53	3.69	-42.49
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597904	1	38	-1.0	-46.20	315.59	3.72	-42.48
CC(C)CC(NC(=O)CCN1C=CC=C1)C1=N[N-]N=N1	REAL250004597905	0	39	-1.0	-43.31	323.31	4.70	-38.61
CC(C)CC(NC(=O)CCN1C=CC=C1)C1=NN=N[N-]1	REAL250004597905	1	39	-1.0	-43.31	323.37	4.72	-38.59
C=CCOCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597906	0	42	-1.0	-48.28	346.04	3.23	-45.05
C=CCOCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597906	1	42	-1.0	-48.30	346.10	3.25	-45.05
CC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597907	0	37	-1.0	-45.75	307.95	3.07	-42.68
CC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597907	1	37	-1.0	-45.78	307.89	3.06	-42.72
CC(C)CC(NC(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL250004597908	0	34	-1.0	-42.56	295.74	3.00	-39.56
CC(C)CC(NC(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL250004597908	1	34	-1.0	-42.53	295.80	3.02	-39.51
CC(C)CC(NC(=O)C1CC12CCOCC2)C1=N[N-]N=N1	REAL250004597909	0	43	-1.0	-45.11	335.40	3.06	-42.05
CC(C)CC(NC(=O)C1CC12CCOCC2)C1=NN=N[N-]1	REAL250004597909	1	43	-1.0	-45.11	335.46	3.08	-42.03
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=N1	REAL250004597910	0	34	-1.0	-45.16	288.42	-0.48	-45.64
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=N1	REAL250004597910	1	34	-1.0	-45.14	288.48	-0.47	-45.61
CC(C)CC(NC(=O)[C@@H]1CCCCN1C)C1=N[N-]N=N1	REAL250004597911	0	43	-1.0	-46.13	330.69	1.96	-44.17
CC(C)CC(NC(=O)[C@@H]1CCCCN1C)C1=NN=N[N-]1	REAL250004597911	1	43	-1.0	-46.13	330.74	1.98	-44.15
CC(C)CC(NC(=O)C1C2CCCC21)C1=N[N-]N=N1	REAL250004597912	0	39	-1.0	-45.76	301.81	4.55	-41.21
CC(C)CC(NC(=O)C1C2CCCC21)C1=NN=N[N-]1	REAL250004597912	1	39	-1.0	-45.79	301.86	4.57	-41.22
CC(C)CC(NC(=O)C(C)C1CC1)C1=N[N-]N=N1	REAL250004597913	0	38	-1.0	-46.39	304.96	3.97	-42.42
CC(C)CC(NC(=O)C(C)C1CC1)C1=NN=N[N-]1	REAL250004597913	1	38	-1.0	-46.38	305.02	3.99	-42.39
CC(C)CC(NC(=O)CC1CCCCCC1)C1=N[N-]N=N1	REAL250004597914	0	47	-1.0	-45.83	347.24	5.52	-40.31
CC(C)CC(NC(=O)CC1CCCCCC1)C1=NN=N[N-]1	REAL250004597914	1	47	-1.0	-45.80	347.29	5.53	-40.27
CC(C)CC(NC(=O)C1=CC(C#N)=CN1)C1=N[N-]N=N1	REAL250004597915	0	34	-1.0	-49.63	299.66	2.46	-47.17
CC(C)CC(NC(=O)C1=CC(C#N)=CN1)C1=NN=N[N-]1	REAL250004597915	1	34	-1.0	-49.61	299.71	2.48	-47.13
CC(C)CC(NC(=O)C#CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597916	0	37	-1.0	-46.73	323.24	5.56	-41.17
CC(C)CC(NC(=O)C#CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597916	1	37	-1.0	-47.08	323.30	5.57	-41.51
CC(C)CC(NC(=O)C(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004597917	0	41	-1.0	-49.67	336.97	3.23	-46.44
CC(C)CC(NC(=O)C(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004597917	1	41	-1.0	-49.65	336.92	3.21	-46.44
CC(C)CC(NC(=O)CCC1=COC=C1)C1=N[N-]N=N1	REAL250004597918	0	38	-1.0	-45.86	318.31	3.61	-42.25
CC(C)CC(NC(=O)CCC1=COC=C1)C1=NN=N[N-]1	REAL250004597918	1	38	-1.0	-45.87	318.36	3.63	-42.24
CC(C)CC(NC(=O)CCC1CCCOC1)C1=N[N-]N=N1	REAL250004597919	0	45	-1.0	-45.57	349.36	3.43	-42.14
CC(C)CC(NC(=O)CCC1CCCOC1)C1=NN=N[N-]1	REAL250004597919	1	45	-1.0	-45.59	349.42	3.44	-42.15
CC1=CC=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597920	0	37	-1.0	-47.63	304.74	3.13	-44.50
CC1=CC=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597920	1	37	-1.0	-47.60	304.68	3.12	-44.48
CC(C)=C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597921	0	38	-1.0	-46.14	299.26	3.90	-42.24
CC(C)=C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597921	1	38	-1.0	-46.19	299.32	3.92	-42.27
CC(C)CC(NC(=O)C1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004597922	0	44	-1.0	-45.53	334.78	4.94	-40.59
CC(C)CC(NC(=O)C1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004597922	1	44	-1.0	-45.52	334.84	4.96	-40.56
CC(C)CC(NC(=O)CCC1=NN=CN1)C1=N[N-]N=N1	REAL250004597923	0	37	-1.0	-51.31	311.56	3.08	-48.23
CC(C)CC(NC(=O)CCC1=NN=CN1)C1=NN=N[N-]1	REAL250004597923	1	37	-1.0	-51.28	311.62	3.09	-48.19
CNS(=O)(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597924	0	36	-1.0	-56.87	312.54	-2.73	-59.60
CNS(=O)(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597924	1	36	-1.0	-56.87	312.60	-2.71	-59.58
CSC=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597925	0	33	-1.0	-44.97	291.73	2.80	-42.17
CSC=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597925	1	33	-1.0	-44.92	291.79	2.81	-42.11
CC(C)CC(NC(=O)CCC1CCOC1)C1=N[N-]N=N1	REAL250004597926	0	42	-1.0	-48.05	331.52	2.67	-45.38
CC(C)CC(NC(=O)CCC1CCOC1)C1=NN=N[N-]1	REAL250004597926	1	42	-1.0	-48.06	331.57	2.69	-45.37
CC(C)CC(NC(=O)C1=CC(C#N)=CS1)C1=N[N-]N=N1	REAL250004597927	0	33	-1.0	-46.98	304.55	3.56	-43.42
CC(C)CC(NC(=O)C1=CC(C#N)=CS1)C1=NN=N[N-]1	REAL250004597927	1	33	-1.0	-46.96	304.61	3.58	-43.38
CC(C)CC(NC(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004597928	1	31	-1.0	-37.91	280.55	2.36	-35.55
CC(C)CC(NC(=O)C(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004597928	1	31	-1.0	-37.90	280.61	2.38	-35.52
CC(C)CC(NC(=O)CN1C=CN=N1)C1=NN=N[N-]1	REAL250004597929	0	34	-1.0	-59.44	290.27	0.99	-58.45
CC(C)CC(NC(=O)CN1C=CN=N1)C1=N[N-]N=N1	REAL250004597929	1	34	-1.0	-59.41	290.22	0.97	-58.44
CC(C)CC(NC(=O)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL250004597930	0	33	-1.0	-43.60	296.54	2.79	-40.81
CC(C)CC(NC(=O)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL250004597930	1	33	-1.0	-43.60	296.49	2.78	-40.82
CC(C)CC(NC(=O)C1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004597931	0	35	-1.0	-48.87	303.17	1.60	-47.27
CC(C)CC(NC(=O)C1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004597931	1	35	-1.0	-48.90	303.23	1.62	-47.28
COC1=CSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597932	0	36	-1.0	-46.68	314.18	2.52	-44.16
COC1=CSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597932	1	36	-1.0	-46.69	314.24	2.54	-44.15
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CN1	REAL250004597933	0	36	-1.0	-49.38	297.00	2.61	-46.77
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CN1	REAL250004597933	1	36	-1.0	-49.40	297.06	2.62	-46.78
C=CCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597934	0	38	-1.0	-45.57	311.92	3.96	-41.61
C=CCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597934	1	38	-1.0	-45.58	311.98	3.98	-41.60
CC(C)CCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597935	0	49	-1.0	-45.33	381.13	6.29	-39.04
CC(C)CCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597935	1	49	-1.0	-45.31	381.19	6.30	-39.01
CC1=CC=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597936	0	41	-1.0	-46.66	340.14	4.62	-42.04
CC1=CC=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597936	1	41	-1.0	-46.66	340.20	4.64	-42.02
COC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004597937	0	38	-1.0	-46.12	320.96	1.04	-45.08
COC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004597937	1	38	-1.0	-46.14	320.90	1.02	-45.12
CC(C)CC(NC(=O)COC1CCOC1)C1=N[N-]N=N1	REAL250004597938	0	40	-1.0	-48.36	326.07	1.67	-46.69
CC(C)CC(NC(=O)COC1CCOC1)C1=NN=N[N-]1	REAL250004597938	1	40	-1.0	-48.31	326.13	1.68	-46.63
CC(C)CC(NC(=O)C1CC12CCCC2)C1=N[N-]N=N1	REAL250004597939	0	42	-1.0	-47.93	331.94	5.08	-42.85
CC(C)CC(NC(=O)C1CC12CCCC2)C1=NN=N[N-]1	REAL250004597939	1	42	-1.0	-47.93	332.00	5.09	-42.84
CC(C)CC(NC(=O)C1=CSC(C=O)=C1)C1=N[N-]N=N1	REAL250004597940	0	34	-1.0	-46.16	305.83	2.96	-43.20
CC(C)CC(NC(=O)C1=CSC(C=O)=C1)C1=NN=N[N-]1	REAL250004597940	1	34	-1.0	-46.14	305.89	2.97	-43.17
CC(C)CC(NC(=O)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004597941	0	35	-1.0	-43.80	296.08	3.30	-40.50
CC(C)CC(NC(=O)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004597941	1	35	-1.0	-43.83	296.14	3.32	-40.51
CC(C)CC(NC(=O)C1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004597942	0	35	-1.0	-55.79	296.47	1.08	-54.71
CC(C)CC(NC(=O)C1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004597942	1	35	-1.0	-55.75	296.53	1.10	-54.65
CC1=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1	REAL250004597943	0	38	-1.0	-54.12	317.11	1.84	-52.28
CC1=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1	REAL250004597943	1	38	-1.0	-54.10	317.17	1.86	-52.24
CC1=NNC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597943	1	38	-1.0	-49.05	317.96	1.74	-47.31
CC1=NNC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597943	1	38	-1.0	-49.04	318.02	1.75	-47.29
CC(C)CC(NC(=O)C1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004597944	0	36	-1.0	-50.18	301.49	3.79	-46.39
CC(C)CC(NC(=O)C1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004597944	1	36	-1.0	-50.24	301.55	3.81	-46.43
COCC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597945	0	41	-1.0	-47.26	327.28	2.33	-44.93
COCC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597945	1	41	-1.0	-47.18	327.34	2.34	-44.84
CC(C)CC(NC(=O)CC1CCCCO1)C1=N[N-]N=N1	REAL250004597946	0	42	-1.0	-47.44	330.24	3.74	-43.70
CC(C)CC(NC(=O)CC1CCCCO1)C1=NN=N[N-]1	REAL250004597946	1	42	-1.0	-47.43	330.30	3.76	-43.67
CC(C)CC(NC(=O)C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL250004597947	0	41	-1.0	-44.01	333.51	3.49	-40.52
CC(C)CC(NC(=O)C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL250004597947	1	41	-1.0	-44.03	333.45	3.48	-40.55
CC(C)CC(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004597948	0	37	-1.0	-47.11	310.95	3.05	-44.06
CC(C)CC(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004597948	1	37	-1.0	-47.10	311.01	3.07	-44.03
CC(C)CC(NC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004597949	0	39	-1.0	-48.57	327.14	1.98	-46.59
CC(C)CC(NC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004597949	1	39	-1.0	-48.63	327.20	2.00	-46.63
CC(C)CC(NC(=O)CN1CCC(C)CC1)C1=N[N-]N=N1	REAL250004597950	1	46	-1.0	-46.20	352.83	2.90	-43.30
CC(C)CC(NC(=O)CN1CCC(C)CC1)C1=NN=N[N-]1	REAL250004597950	1	46	-1.0	-46.16	352.88	2.91	-43.25
CC(C)CC(NC(=O)C1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004597951	0	39	-1.0	-45.69	314.57	0.46	-45.23
CC(C)CC(NC(=O)C1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004597951	1	39	-1.0	-45.68	314.63	0.47	-45.21
CC(C)CC(NC(=O)C1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004597952	0	47	-1.0	-45.02	351.25	5.30	-39.72
CC(C)CC(NC(=O)C1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004597952	1	47	-1.0	-44.99	351.31	5.32	-39.67
COC(=O)C(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597953	0	40	-1.0	-43.73	328.01	3.27	-40.46
COC(=O)C(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597953	1	40	-1.0	-43.71	328.06	3.28	-40.43
CC(C)CC(NC(=O)C(F)=C1CCCC1)C1=N[N-]N=N1	REAL250004597954	0	39	-1.0	-42.77	316.16	4.56	-38.21
CC(C)CC(NC(=O)C(F)=C1CCCC1)C1=NN=N[N-]1	REAL250004597954	1	39	-1.0	-42.78	316.22	4.57	-38.21
CCC1=CC=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597955	0	41	-1.0	-46.44	325.71	5.62	-40.82
CCC1=CC=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597955	1	41	-1.0	-46.43	325.77	5.64	-40.79
CCC1(C)CC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597956	0	41	-1.0	-45.51	320.35	4.51	-41.00
CCC1(C)CC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597956	1	41	-1.0	-45.52	320.41	4.52	-41.00
CC(C)CC(NC(=O)C1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL250004597957	0	38	-1.0	-50.32	314.56	4.61	-45.71
CC(C)CC(NC(=O)C1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL250004597957	1	38	-1.0	-50.32	314.62	4.62	-45.70
CC(C)CC(NC(=O)C1CC12CCC2)C1=N[N-]N=N1	REAL250004597958	0	39	-1.0	-46.37	313.99	4.59	-41.78
CC(C)CC(NC(=O)C1CC12CCC2)C1=NN=N[N-]1	REAL250004597958	1	39	-1.0	-46.37	314.05	4.60	-41.77
CC(C)CC(NC(=O)C1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004597959	0	34	-1.0	-43.63	292.92	2.50	-41.13
CC(C)CC(NC(=O)C1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004597959	1	34	-1.0	-43.64	292.86	2.48	-41.16
CCC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)CC	REAL250004597960	0	41	-1.0	-45.05	325.86	4.64	-40.41
CCC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)CC	REAL250004597960	1	41	-1.0	-45.00	325.92	4.66	-40.34
CC1=CC(=O)NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597961	0	38	-1.0	-49.08	311.47	1.21	-47.87
CC1=CC(=O)NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597961	1	38	-1.0	-49.07	311.54	1.22	-47.85
CC(C)CC(NC(=O)CN1C=NC(C#N)=N1)C1=NN=N[N-]1	REAL250004597962	0	35	-1.0	-58.91	312.51	3.15	-55.76
CC(C)CC(NC(=O)CN1C=NC(C#N)=N1)C1=N[N-]N=N1	REAL250004597962	1	35	-1.0	-58.86	312.45	3.13	-55.73
CC(C)CC(NC(=O)C1=CN=C(C2CC2)N1)C1=N[N-]N=N1	REAL250004597963	0	39	-1.0	-46.53	325.51	3.09	-43.44
CC(C)CC(NC(=O)C1=CN=C(C2CC2)N1)C1=NN=N[N-]1	REAL250004597963	1	39	-1.0	-46.53	325.56	3.11	-43.42
CC(C)CC(NC(=O)CC1CCC(C)C1)C1=N[N-]N=N1	REAL250004597964	0	44	-1.0	-46.14	340.42	5.14	-41.00
CC(C)CC(NC(=O)CC1CCC(C)C1)C1=NN=N[N-]1	REAL250004597964	1	44	-1.0	-46.15	340.48	5.15	-41.00
CCC(CC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597965	0	43	-1.0	-45.42	330.60	4.49	-40.93
CCC(CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597965	1	43	-1.0	-45.42	330.66	4.50	-40.92
CC=C(C=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)CC	REAL250004597966	0	42	-1.0	-46.08	340.06	5.07	-41.01
CC=C(C=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)CC	REAL250004597966	1	42	-1.0	-46.07	340.12	5.07	-41.00
CC(C)CC(NC(=O)C=C1CCC(C)C1)C1=N[N-]N=N1	REAL250004597967	0	42	-1.0	-46.10	332.37	5.10	-41.00
CC(C)CC(NC(=O)C=C1CCC(C)C1)C1=NN=N[N-]1	REAL250004597967	1	42	-1.0	-46.10	332.42	5.11	-40.99
CC(C)CC(NC(=O)C1CCSC1)C1=N[N-]N=N1	REAL250004597968	0	36	-1.0	-42.82	298.64	3.49	-39.33
CC(C)CC(NC(=O)C1CCSC1)C1=NN=N[N-]1	REAL250004597968	1	36	-1.0	-42.81	298.70	3.50	-39.31
CC(C)CC(NC(=O)C1CC(C)C1)C1=N[N-]N=N1	REAL250004597969	0	38	-1.0	-45.21	302.54	3.78	-41.43
CC(C)CC(NC(=O)C1CC(C)C1)C1=NN=N[N-]1	REAL250004597969	1	38	-1.0	-45.18	302.60	3.79	-41.39
CC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)=C1CCCC1	REAL250004597970	0	42	-1.0	-46.87	326.83	5.20	-41.67
CC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)=C1CCCC1	REAL250004597970	1	42	-1.0	-46.85	326.89	5.21	-41.64
CC(C)CC(NC(=O)CC1CCSCC1)C1=N[N-]N=N1	REAL250004597971	0	42	-1.0	-44.68	335.88	4.81	-39.87
CC(C)CC(NC(=O)CC1CCSCC1)C1=NN=N[N-]1	REAL250004597971	1	42	-1.0	-44.67	335.94	4.83	-39.84
CCOC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004597972	0	47	-1.0	-45.71	363.63	4.54	-41.17
CCOC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004597972	1	47	-1.0	-45.68	363.69	4.56	-41.12
CC(C)CC(NC(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004597973	0	35	-1.0	-51.20	297.12	3.41	-47.79
CC(C)CC(NC(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004597973	1	35	-1.0	-51.24	297.07	3.39	-47.85
COC(=O)CC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597974	0	40	-1.0	-43.92	326.87	3.21	-40.71
COC(=O)CC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597974	1	40	-1.0	-43.92	326.93	3.22	-40.70
CC1=C(C)OC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004597975	0	38	-1.0	-46.59	317.22	3.64	-42.95
CC1=C(C)OC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004597975	1	38	-1.0	-46.56	317.27	3.66	-42.90
C=CCC(CC=C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597976	0	42	-1.0	-46.33	337.11	4.75	-41.58
C=CCC(CC=C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597976	1	42	-1.0	-46.33	337.17	4.76	-41.57
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004597977	0	39	-1.0	-47.71	318.49	3.20	-44.51
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004597977	1	39	-1.0	-47.68	318.55	3.22	-44.46
CCC1CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597978	0	42	-1.0	-49.91	334.64	3.96	-45.95
CCC1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597978	1	42	-1.0	-49.93	334.70	3.98	-45.95
CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1F	REAL250004597979	0	38	-1.0	-52.49	316.32	4.92	-47.57
CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1F	REAL250004597979	1	38	-1.0	-52.51	316.38	4.93	-47.58
CSCCC(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597980	0	39	-1.0	-45.15	332.14	1.78	-43.37
CSCCC(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597980	1	39	-1.0	-45.12	332.19	1.80	-43.32
CC(C)CC(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597981	0	39	-1.0	-45.77	324.23	2.87	-42.90
CC(C)CC(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597981	1	39	-1.0	-45.74	324.29	2.88	-42.86
CC(C)CC(NC(=O)[C@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004597982	0	39	-1.0	-45.73	323.67	2.94	-42.79
CC(C)CC(NC(=O)[C@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004597982	1	39	-1.0	-45.76	323.73	2.96	-42.80
CC(C)CC(NC(=O)C(O)C(C)(C)C)C1=N[N-]N=N1	REAL250004597983	0	41	-1.0	-45.32	317.35	2.12	-43.20
CC(C)CC(NC(=O)C(O)C(C)(C)C)C1=NN=N[N-]1	REAL250004597983	1	41	-1.0	-45.31	317.41	2.13	-43.18
CC(C)CC(NC(=O)[C@H]1CC1(C)C)C1=N[N-]N=N1	REAL250004597985	0	38	-1.0	-45.40	303.22	3.84	-41.56
CC(C)CC(NC(=O)[C@H]1CC1(C)C)C1=NN=N[N-]1	REAL250004597985	1	38	-1.0	-45.43	303.28	3.86	-41.57
CC(C)CC(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=N[N-]N=N1	REAL250004597986	0	34	-1.0	-48.56	297.08	2.26	-46.30
CC(C)CC(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=NN=N[N-]1	REAL250004597986	1	34	-1.0	-48.58	297.13	2.28	-46.30
CNC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597987	0	37	-1.0	-45.23	309.64	-1.81	-47.04
CNC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597987	1	37	-1.0	-45.23	309.70	-1.79	-47.02
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004597988	0	37	-1.0	-47.76	310.17	3.14	-44.62
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004597988	1	37	-1.0	-47.73	310.12	3.13	-44.60
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004597989	0	38	-1.0	-49.94	318.79	3.79	-46.15
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004597989	1	38	-1.0	-49.96	318.84	3.81	-46.15
CCCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004597990	0	46	-1.0	-47.15	348.51	5.29	-41.86
CCCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004597990	1	46	-1.0	-47.17	348.57	5.30	-41.87
CC(C)CC(NC(=O)C1=NOC(C(C)C)=C1)C1=N[N-]N=N1	REAL250004597991	0	40	-1.0	-44.71	334.43	3.67	-41.04
CC(C)CC(NC(=O)C1=NOC(C(C)C)=C1)C1=NN=N[N-]1	REAL250004597991	1	40	-1.0	-44.77	334.49	3.68	-41.09
CCC(C)C(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004597992	0	41	-1.0	-43.50	319.72	0.98	-42.52
CCC(C)C(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597992	1	41	-1.0	-43.44	319.78	1.00	-42.44
CC(C)CC(NC(=O)C1CC(=O)C1)C1=N[N-]N=N1	REAL250004597993	0	34	-1.0	-44.73	285.57	2.22	-42.51
CC(C)CC(NC(=O)C1CC(=O)C1)C1=NN=N[N-]1	REAL250004597993	1	34	-1.0	-44.70	285.63	2.23	-42.47
CC(C)CC(NC(=O)C1COCCN1C)C1=N[N-]N=N1	REAL250004597994	0	41	-1.0	-45.35	322.77	-0.47	-45.82
CC(C)CC(NC(=O)C1COCCN1C)C1=NN=N[N-]1	REAL250004597994	1	41	-1.0	-45.39	322.83	-0.46	-45.85
CC(C)CC(NC(=O)C1=CN=CO1)C1=NN=N[N-]1	REAL250004597995	0	31	-1.0	-45.24	270.57	-1.11	-46.35
CC(C)CC(NC(=O)C1=CN=CO1)C1=N[N-]N=N1	REAL250004597995	1	31	-1.0	-45.20	270.52	-1.13	-46.33
CC(C)CC(NC(=O)C1=CC=CN1C(C)C)C1=N[N-]N=N1	REAL250004597996	0	42	-1.0	-46.95	337.01	5.03	-41.92
CC(C)CC(NC(=O)C1=CC=CN1C(C)C)C1=NN=N[N-]1	REAL250004597996	1	42	-1.0	-47.00	337.07	5.05	-41.95
CC(C)CC(NC(=O)C1CCC(=O)C(C)C1)C1=N[N-]N=N1	REAL250004597997	0	43	-1.0	-49.57	339.56	4.22	-45.35
CC(C)CC(NC(=O)C1CCC(=O)C(C)C1)C1=NN=N[N-]1	REAL250004597997	1	43	-1.0	-49.57	339.63	4.23	-45.34
CC(C)CC(NC(=O)C1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL250004597998	0	38	-1.0	-50.37	316.86	4.54	-45.83
CC(C)CC(NC(=O)C1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL250004597998	1	38	-1.0	-50.34	316.81	4.52	-45.82
CC(C)CC(NC(=O)C1CCC(=O)CC1C)C1=N[N-]N=N1	REAL250004597999	0	43	-1.0	-49.45	331.09	3.92	-45.53
CC(C)CC(NC(=O)C1CCC(=O)CC1C)C1=NN=N[N-]1	REAL250004597999	1	43	-1.0	-49.44	331.15	3.94	-45.50
CC(C)CC(NC(=O)CC1(C)CCCCC1)C1=N[N-]N=N1	REAL250004598000	0	47	-1.0	-44.53	343.90	5.36	-39.17
CC(C)CC(NC(=O)CC1(C)CCCCC1)C1=NN=N[N-]1	REAL250004598000	1	47	-1.0	-44.55	343.96	5.37	-39.18
CC1=NN=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598001	0	36	-1.0	-44.53	298.13	1.98	-42.55
CC1=NN=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598001	1	36	-1.0	-44.55	298.19	2.00	-42.55
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCCO1	REAL250004598002	0	40	-1.0	-46.54	321.19	2.96	-43.58
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCCO1	REAL250004598002	1	40	-1.0	-46.48	321.24	2.99	-43.49
CC(C)CC(NC(=O)C(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004598003	0	45	-1.0	-46.01	342.52	3.21	-42.80
CC(C)CC(NC(=O)C(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004598003	1	45	-1.0	-45.99	342.58	3.22	-42.77
CC(C)CC(NC(=O)CN1CCCC1)C1=N[N-]N=N1	REAL250004598004	0	40	-1.0	-45.36	312.04	1.15	-44.21
CC(C)CC(NC(=O)CN1CCCC1)C1=NN=N[N-]1	REAL250004598004	1	40	-1.0	-45.37	312.10	1.17	-44.20
CC(C)CC(NC(=O)CN1CCOCC1)C1=N[N-]N=N1	REAL250004598005	0	41	-1.0	-46.14	322.61	-0.16	-46.30
CC(C)CC(NC(=O)CN1CCOCC1)C1=NN=N[N-]1	REAL250004598005	1	41	-1.0	-46.15	322.66	-0.14	-46.29
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(O)=C1	REAL250004598006	0	39	-1.0	-50.12	321.73	3.36	-46.76
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(O)=C1	REAL250004598006	1	39	-1.0	-50.13	321.79	3.38	-46.75
CC(C)CC(NC(=O)C1=CC=C(O)C=C1O)C1=N[N-]N=N1	REAL250004598007	0	37	-1.0	-50.51	311.29	-0.12	-50.63
CC(C)CC(NC(=O)C1=CC=C(O)C=C1O)C1=NN=N[N-]1	REAL250004598007	1	37	-1.0	-50.51	311.35	-0.11	-50.62
CC(C)CC(NC(=O)C1=CC(F)=CC=C1O)C1=N[N-]N=N1	REAL250004598008	0	36	-1.0	-47.22	306.75	2.77	-44.45
CC(C)CC(NC(=O)C1=CC(F)=CC=C1O)C1=NN=N[N-]1	REAL250004598008	1	36	-1.0	-47.29	306.81	2.78	-44.51
CSC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598009	0	38	-1.0	-49.17	316.63	3.70	-45.47
CSC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598009	1	38	-1.0	-49.18	316.68	3.71	-45.47
CC(C)CC(NC(=O)C1=CC=CC(=O)N1C)C1=N[N-]N=N1	REAL250004598010	0	38	-1.0	-47.60	310.65	2.84	-44.76
CC(C)CC(NC(=O)C1=CC=CC(=O)N1C)C1=NN=N[N-]1	REAL250004598010	1	38	-1.0	-47.60	310.71	2.86	-44.74
CC(C)CC(NC(=O)C1(NC(N)=O)CC1)C1=N[N-]N=N1	REAL250004598011	0	38	-1.0	-59.67	319.47	-1.93	-61.60
CC(C)CC(NC(=O)C1(NC(N)=O)CC1)C1=NN=N[N-]1	REAL250004598011	1	38	-1.0	-59.66	319.53	-1.91	-61.57
CC(C)CC(NC(=O)CN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004598012	0	38	-1.0	-56.22	324.77	3.31	-52.91
CC(C)CC(NC(=O)CN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004598012	1	38	-1.0	-56.20	324.83	3.33	-52.87
CCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL250004598013	0	40	-1.0	-46.55	335.70	2.12	-44.43
CCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL250004598013	1	40	-1.0	-46.53	335.64	2.10	-44.43
CC1=CC(F)=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598014	0	38	-1.0	-43.62	313.58	4.96	-38.66
CC1=CC(F)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598014	1	38	-1.0	-43.63	313.64	4.97	-38.66
CCC(SC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598015	0	38	-1.0	-47.29	315.13	3.97	-43.32
CCC(SC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598015	1	38	-1.0	-47.26	315.19	3.98	-43.28
CC(C)CC(NC(=O)C(C)N1C=CC=C1)C1=N[N-]N=N1	REAL250004598016	0	39	-1.0	-46.60	319.43	4.60	-42.00
CC(C)CC(NC(=O)C(C)N1C=CC=C1)C1=NN=N[N-]1	REAL250004598016	1	39	-1.0	-46.57	319.48	4.62	-41.95
CCN(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004598017	1	43	-1.0	-45.12	334.06	2.37	-42.75
CCN(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598017	1	43	-1.0	-45.16	334.12	2.38	-42.78
CC(C)CC(NC(=O)C1=NN=CN1)C1=N[N-]N=N1	REAL250004598018	0	31	-1.0	-45.74	269.34	1.58	-44.16
CC(C)CC(NC(=O)C1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004598019	0	38	-1.0	-52.82	318.11	4.73	-48.09
CC(C)CC(NC(=O)C1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004598019	1	38	-1.0	-52.79	318.16	4.74	-48.05
CC(=O)C(C)(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598020	0	45	-1.0	-55.01	352.09	4.06	-50.95
CC(=O)C(C)(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598020	1	45	-1.0	-55.03	352.15	4.08	-50.95
C=CC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598021	0	39	-1.0	-54.77	329.02	0.74	-54.03
C=CC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598021	1	39	-1.0	-54.79	329.08	0.75	-54.04
CC(C)CC(NC(=O)COC1(C)CCC1)C1=N[N-]N=N1	REAL250004598022	0	42	-1.0	-48.62	333.30	3.97	-44.65
CC(C)CC(NC(=O)COC1(C)CCC1)C1=NN=N[N-]1	REAL250004598022	1	42	-1.0	-48.61	333.36	3.99	-44.62
CC(C)CC(NC(=O)C1CCCCO1)C1=N[N-]N=N1	REAL250004598023	0	39	-1.0	-49.30	310.06	3.24	-46.06
CC(C)CC(NC(=O)C1CCCCO1)C1=NN=N[N-]1	REAL250004598023	1	39	-1.0	-49.35	310.11	3.25	-46.10
CC(C)CC(NC(=O)C1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004598024	0	36	-1.0	-44.15	314.42	-0.96	-45.11
CC(C)CC(NC(=O)C1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004598024	1	36	-1.0	-44.17	314.47	-0.95	-45.12
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCC1	REAL250004598025	0	39	-1.0	-46.50	310.85	4.48	-42.02
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCC1	REAL250004598025	1	39	-1.0	-46.53	310.91	4.50	-42.03
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CC(=O)N1	REAL250004598026	0	38	-1.0	-44.52	312.21	1.78	-42.74
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CC(=O)N1	REAL250004598026	1	38	-1.0	-44.52	312.26	1.79	-42.73
CC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1=O	REAL250004598027	0	36	-1.0	-41.83	306.80	-0.39	-42.22
CC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1=O	REAL250004598027	1	36	-1.0	-41.82	306.86	-0.38	-42.20
CCC(C)OCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598028	0	41	-1.0	-48.63	331.73	3.71	-44.92
CCC(C)OCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598028	1	41	-1.0	-48.59	331.78	3.73	-44.86
CC(C)CC(NC(=O)CC(O)C(C)C)C1=N[N-]N=N1	REAL250004598029	0	41	-1.0	-48.29	322.72	1.72	-46.57
CC(C)CC(NC(=O)CC(O)C(C)C)C1=NN=N[N-]1	REAL250004598029	1	41	-1.0	-48.30	322.78	1.73	-46.57
CC(C)CC(NC(=O)CC1COC(=O)C1)C1=N[N-]N=N1	REAL250004598031	0	38	-1.0	-46.10	313.10	3.06	-43.04
CC(C)CC(NC(=O)CC1COC(=O)C1)C1=NN=N[N-]1	REAL250004598031	1	38	-1.0	-46.07	313.16	3.08	-42.99
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC=N1	REAL250004598032	0	36	-1.0	-44.08	305.44	2.86	-41.22
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC=N1	REAL250004598032	1	36	-1.0	-44.11	305.50	2.87	-41.24
CC(C)CC(NC(=O)CC1=CC=CO1)C1=N[N-]N=N1	REAL250004598033	0	35	-1.0	-49.15	296.87	2.97	-46.18
CC(C)CC(NC(=O)CC1=CC=CO1)C1=NN=N[N-]1	REAL250004598033	1	35	-1.0	-49.17	296.93	2.98	-46.19
CC(C)CC(NC(=O)C1=CC2=C(C=CO2)N1)C1=N[N-]N=N1	REAL250004598034	0	36	-1.0	-48.01	305.69	2.18	-45.83
CC(C)CC(NC(=O)C1=CC2=C(C=CO2)N1)C1=NN=N[N-]1	REAL250004598034	1	36	-1.0	-48.01	305.75	2.20	-45.81
CCCC(O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598035	0	41	-1.0	-48.97	329.78	1.76	-47.21
CCCC(O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598035	1	41	-1.0	-48.99	329.84	1.78	-47.21
CC(C)CC(NC(=O)C1=CC2=CN=CN2C=C1)C1=N[N-]N=N1	REAL250004598036	0	38	-1.0	-49.68	318.67	5.64	-44.04
CC(C)CC(NC(=O)C1=CC2=CN=CN2C=C1)C1=NN=N[N-]1	REAL250004598036	1	38	-1.0	-49.72	318.72	5.65	-44.07
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)S1	REAL250004598037	0	37	-1.0	-47.26	318.92	2.72	-44.54
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)S1	REAL250004598037	1	37	-1.0	-47.23	318.98	2.74	-44.49
CC(C)CC(NC(=O)C1CC1(C)C)C1=N[N-]N=N1	REAL250004598038	0	38	-1.0	-45.77	303.28	3.86	-41.91
CC(C)CC(NC(=O)C1CC1(C)C)C1=NN=N[N-]1	REAL250004598038	1	38	-1.0	-45.74	303.34	3.88	-41.86
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=N1	REAL250004598039	0	37	-1.0	-45.45	317.20	2.67	-42.78
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=N1	REAL250004598039	1	37	-1.0	-45.46	317.26	2.68	-42.78
CC(C)CC(NC(=O)C1=CC=C(C#N)N1)C1=N[N-]N=N1	REAL250004598040	0	34	-1.0	-43.57	299.86	2.28	-41.29
CC(C)CC(NC(=O)C1=CC=C(C#N)N1)C1=NN=N[N-]1	REAL250004598040	1	34	-1.0	-43.52	299.92	2.30	-41.22
CC(C)CC(NC(=O)C1=C2N=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004598041	0	38	-1.0	-60.26	316.74	3.99	-56.27
CC(C)CC(NC(=O)C1=C2N=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004598041	1	38	-1.0	-60.29	316.68	3.98	-56.31
CCOC=C(C#N)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598042	0	37	-1.0	-44.82	321.71	2.60	-42.22
CCOC=C(C#N)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598042	1	37	-1.0	-44.81	321.77	2.61	-42.20
CC(C)CC(NC(=O)CCCN1C=CC=C1)C1=N[N-]N=N1	REAL250004598043	0	42	-1.0	-49.21	344.81	5.51	-43.70
CC(C)CC(NC(=O)CCCN1C=CC=C1)C1=NN=N[N-]1	REAL250004598043	1	42	-1.0	-49.21	344.87	5.53	-43.68
CC(C)CC(NC(=O)COCC(F)(F)F)C1=N[N-]N=N1	REAL250004598044	0	35	-1.0	-50.96	310.22	2.68	-48.28
CC(C)CC(NC(=O)COCC(F)(F)F)C1=NN=N[N-]1	REAL250004598044	1	35	-1.0	-50.98	310.27	2.69	-48.29
CCC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598045	0	37	-1.0	-45.61	313.99	0.28	-45.33
CCC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598045	1	37	-1.0	-45.59	314.04	0.29	-45.30
COC(=O)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598047	0	40	-1.0	-53.32	333.03	3.47	-49.85
COC(=O)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598047	1	40	-1.0	-53.32	333.09	3.48	-49.84
CC(C)CC(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004598048	0	34	-1.0	-43.69	295.13	2.58	-41.11
CC(C)CC(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004598048	1	34	-1.0	-43.72	295.08	2.56	-41.16
CCC(C)=C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598049	0	41	-1.0	-46.05	320.41	4.57	-41.48
CCC(C)=C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598049	1	41	-1.0	-46.03	320.46	4.59	-41.44
CC(C)CC(NC(=O)CCCCO)C1=N[N-]N=N1	REAL250004598050	0	38	-1.0	-46.01	310.53	0.06	-45.95
CC(C)CC(NC(=O)CCCCO)C1=NN=N[N-]1	REAL250004598050	1	38	-1.0	-46.02	310.59	0.07	-45.95
CC1=NSC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598051	0	34	-1.0	-43.78	293.81	2.42	-41.36
CC1=NSC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598051	1	34	-1.0	-43.76	293.87	2.44	-41.32
CC(C)CC(NC(=O)C1CCCCS1)C1=N[N-]N=N1	REAL250004598052	0	39	-1.0	-45.18	319.04	4.20	-40.98
CC(C)CC(NC(=O)C1CCCCS1)C1=NN=N[N-]1	REAL250004598052	1	39	-1.0	-45.15	319.10	4.20	-40.95
CC(C)CC(NC(=O)CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004598053	0	39	-1.0	-57.17	323.80	2.58	-54.59
CC(C)CC(NC(=O)CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004598053	1	39	-1.0	-57.18	323.86	2.59	-54.59
C#CCNC(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598054	0	37	-1.0	-56.37	319.46	2.23	-54.14
C#CCNC(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598054	1	37	-1.0	-56.34	319.52	2.24	-54.10
CC(C)CC(NC(=O)C1CCCC1C)C1=N[N-]N=N1	REAL250004598055	0	41	-1.0	-45.89	314.04	4.24	-41.65
CC(C)CC(NC(=O)C1CCCC1C)C1=NN=N[N-]1	REAL250004598055	1	41	-1.0	-45.90	314.10	4.25	-41.65
CC(C)CC(NC(=O)C1CCOC1C)C1=N[N-]N=N1	REAL250004598056	0	39	-1.0	-48.30	305.90	1.93	-46.37
CC(C)CC(NC(=O)C1CCOC1C)C1=NN=N[N-]1	REAL250004598056	1	39	-1.0	-48.29	305.97	1.95	-46.34
CCC(C)CCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598057	0	49	-1.0	-45.37	377.90	6.12	-39.25
CCC(C)CCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598057	1	49	-1.0	-45.41	377.96	6.14	-39.27
COCCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598058	0	42	-1.0	-50.62	345.86	2.05	-48.57
COCCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598058	1	42	-1.0	-50.62	345.91	2.07	-48.55
CCCCCC(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598059	0	49	-1.0	-46.78	374.19	6.03	-40.75
CCCCCC(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598059	1	49	-1.0	-46.78	374.24	6.04	-40.74
CC(C)CC(NC(=O)C1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004598060	0	35	-1.0	-48.19	309.62	2.13	-46.06
CC(C)CC(NC(=O)C1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004598060	1	35	-1.0	-48.22	309.56	2.11	-46.11
CC(C)CC(NC(=O)C1CCC=CO1)C1=N[N-]N=N1	REAL250004598061	0	37	-1.0	-48.10	301.76	3.53	-44.57
CC(C)CC(NC(=O)C1CCC=CO1)C1=NN=N[N-]1	REAL250004598061	1	37	-1.0	-48.04	301.82	3.54	-44.50
CC(C)CC(NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004598062	0	41	-1.0	-48.46	324.99	3.30	-45.16
CC(C)CC(NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004598062	1	41	-1.0	-48.47	325.05	3.31	-45.16
CC(C)CC(NC(=O)C1=CNC(C#N)=C1)C1=N[N-]N=N1	REAL250004598063	0	34	-1.0	-50.67	299.63	2.29	-48.38
CC(C)CC(NC(=O)C1=CNC(C#N)=C1)C1=NN=N[N-]1	REAL250004598063	1	34	-1.0	-50.66	299.68	2.30	-48.36
COCCCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598064	0	44	-1.0	-45.56	348.96	3.00	-42.56
COCCCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598064	1	44	-1.0	-45.56	349.01	3.01	-42.55
CCC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598065	0	40	-1.0	-48.20	331.69	3.88	-44.32
CCC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598065	1	40	-1.0	-48.21	331.75	3.90	-44.31
CC(C)CC(NC(=O)C=C1CCSCC1)C1=N[N-]N=N1	REAL250004598066	0	40	-1.0	-45.09	326.93	4.86	-40.23
CC(C)CC(NC(=O)C=C1CCSCC1)C1=NN=N[N-]1	REAL250004598066	1	40	-1.0	-45.09	326.99	4.88	-40.21
CCCC(CCC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598067	0	49	-1.0	-45.44	373.26	6.07	-39.37
CCCC(CCC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598067	1	49	-1.0	-45.44	373.32	6.08	-39.36
CC(C)CC(NC(=O)CCCC(F)(F)F)C1=N[N-]N=N1	REAL250004598068	0	37	-1.0	-47.78	317.24	3.78	-44.00
CC(C)CC(NC(=O)CCCC(F)(F)F)C1=NN=N[N-]1	REAL250004598068	1	37	-1.0	-47.81	317.30	3.80	-44.01
CCCC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)CCC	REAL250004598069	0	47	-1.0	-45.08	368.87	6.19	-38.89
CCCC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)CCC	REAL250004598069	1	47	-1.0	-45.06	368.92	6.21	-38.85
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1O	REAL250004598070	0	39	-1.0	-47.99	322.52	2.09	-45.90
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1O	REAL250004598070	1	39	-1.0	-48.02	322.58	2.10	-45.92
CC(C)CC(NC(=O)C1=CC=C2C=CNC2=N1)C1=N[N-]N=N1	REAL250004598071	0	38	-1.0	-50.18	319.91	3.52	-46.66
CC(C)CC(NC(=O)C1=CC=C2C=CNC2=N1)C1=NN=N[N-]1	REAL250004598071	1	38	-1.0	-50.17	319.97	3.53	-46.64
CC1=CC(O)=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598072	0	39	-1.0	-47.94	323.92	1.97	-45.97
CC1=CC(O)=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598072	1	39	-1.0	-47.91	323.98	1.99	-45.92
CSC(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598073	0	41	-1.0	-47.14	338.58	4.38	-42.76
CSC(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598073	1	41	-1.0	-47.11	338.64	4.39	-42.72
C#CCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598074	0	39	-1.0	-45.88	326.39	4.70	-41.18
C#CCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598074	1	39	-1.0	-45.87	326.45	4.71	-41.16
CC(C)CC(NC(=O)C1=CC=C2C=CC=NN21)C1=NN=N[N-]1	REAL250004598075	0	38	-1.0	-56.26	318.55	4.20	-52.06
CC(C)CC(NC(=O)C1=CC=C2C=CC=NN21)C1=N[N-]N=N1	REAL250004598075	1	38	-1.0	-56.31	318.50	4.19	-52.12
CC(C)CC(NC(=O)C1=CC=C(O)C=C1F)C1=N[N-]N=N1	REAL250004598076	0	36	-1.0	-51.58	307.06	1.42	-50.16
CC(C)CC(NC(=O)C1=CC=C(O)C=C1F)C1=NN=N[N-]1	REAL250004598076	1	36	-1.0	-51.58	307.12	1.43	-50.15
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(C)=N1	REAL250004598077	0	39	-1.0	-42.90	319.78	2.80	-40.10
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(C)=N1	REAL250004598077	1	39	-1.0	-42.94	319.84	2.82	-40.12
CCC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598078	0	41	-1.0	-49.87	336.17	3.25	-46.62
CCC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598078	1	41	-1.0	-49.89	336.23	3.27	-46.62
CC(C)CC(NC(=O)C1=CC2=C(CCC2)N1)C1=N[N-]N=N1	REAL250004598079	0	40	-1.0	-48.56	324.36	3.82	-44.74
CC(C)CC(NC(=O)C1=CC2=C(CCC2)N1)C1=NN=N[N-]1	REAL250004598079	1	40	-1.0	-48.56	324.42	3.84	-44.72
COCC(=O)N(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598080	0	42	-1.0	-51.94	346.73	2.09	-49.85
COCC(=O)N(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598080	1	42	-1.0	-51.91	346.79	2.11	-49.80
CC(C)CC(NC(=O)C1SCCS1)C1=N[N-]N=N1	REAL250004598081	0	34	-1.0	-46.39	299.81	3.56	-42.83
CC(C)CC(NC(=O)C1SCCS1)C1=NN=N[N-]1	REAL250004598081	1	34	-1.0	-46.36	299.87	3.58	-42.78
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N=N1	REAL250004598082	0	39	-1.0	-44.90	319.61	2.54	-42.36
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N=N1	REAL250004598082	1	39	-1.0	-44.89	319.67	2.56	-42.33
CC1=CN=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598083	0	37	-1.0	-47.19	322.83	2.73	-44.46
CC1=CN=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598083	1	37	-1.0	-47.19	322.88	2.75	-44.44
CC(C)CC(NC(=O)C1CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004598084	0	47	-1.0	-46.44	351.22	5.32	-41.12
CC(C)CC(NC(=O)C1CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004598084	1	47	-1.0	-46.40	351.28	5.34	-41.06
CC(C)CC(NC(=O)C1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL250004598085	0	34	-1.0	-46.44	295.19	2.40	-44.04
CC(C)CC(NC(=O)C1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL250004598085	1	34	-1.0	-46.46	295.13	2.39	-44.07
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004598086	0	38	-1.0	-53.63	317.98	1.66	-51.97
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004598086	1	38	-1.0	-53.65	318.04	1.68	-51.97
CC(C)CC(NC(=O)C(C)N1C=NC=N1)C1=NN=N[N-]1	REAL250004598087	0	37	-1.0	-52.67	309.75	4.06	-48.61
CC(C)CC(NC(=O)C(C)N1C=NC=N1)C1=N[N-]N=N1	REAL250004598087	1	37	-1.0	-52.62	309.70	4.05	-48.57
CC(C)CC(NC(=O)[C@@H]1CCCO1)C1=N[N-]N=N1	REAL250004598088	0	36	-1.0	-50.15	292.54	2.43	-47.72
CC(C)CC(NC(=O)[C@@H]1CCCO1)C1=NN=N[N-]1	REAL250004598088	1	36	-1.0	-50.10	292.60	2.44	-47.66
CC(C)CC(NC(=O)[C@H]1CCCO1)C1=N[N-]N=N1	REAL250004598089	0	36	-1.0	-49.25	292.52	2.43	-46.82
CC(C)CC(NC(=O)[C@H]1CCCO1)C1=NN=N[N-]1	REAL250004598089	1	36	-1.0	-49.28	292.58	2.44	-46.84
COC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598090	0	39	-1.0	-43.05	325.15	-0.11	-43.16
COC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598090	1	39	-1.0	-43.05	325.21	-0.10	-43.15
CC(C)CC(NC(=O)C1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL250004598091	0	39	-1.0	-52.66	333.73	5.34	-47.32
CC(C)CC(NC(=O)C1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL250004598091	1	39	-1.0	-52.68	333.79	5.35	-47.33
C#CCOCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598092	0	37	-1.0	-45.14	317.42	2.44	-42.70
C#CCOCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598092	1	37	-1.0	-45.16	317.48	2.45	-42.71
C=C(C)C(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)OCC	REAL250004598093	0	45	-1.0	-45.72	363.72	4.61	-41.11
C=C(C)C(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)OCC	REAL250004598093	1	45	-1.0	-45.70	363.77	4.63	-41.07
CC(C)CC(NC(=O)CC(C)(O)C1CC1)C1=N[N-]N=N1	REAL250004598094	0	42	-1.0	-47.52	328.20	2.28	-45.24
CC(C)CC(NC(=O)CC(C)(O)C1CC1)C1=NN=N[N-]1	REAL250004598094	1	42	-1.0	-47.51	328.25	2.29	-45.22
CCC(CC)C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598095	0	46	-1.0	-45.82	343.22	4.85	-40.97
CCC(CC)C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598095	1	46	-1.0	-45.83	343.28	4.86	-40.97
CC(C)CC(NC(=O)C1CCOC(C)C1)C1=N[N-]N=N1	REAL250004598096	0	42	-1.0	-45.43	329.60	2.78	-42.65
CC(C)CC(NC(=O)C1CCOC(C)C1)C1=NN=N[N-]1	REAL250004598096	1	42	-1.0	-45.39	329.66	2.79	-42.60
CC(C)CC(NC(=O)C1CCC(C)C1)C1=N[N-]N=N1	REAL250004598097	0	41	-1.0	-45.47	319.81	4.38	-41.09
CC(C)CC(NC(=O)C1CCC(C)C1)C1=NN=N[N-]1	REAL250004598097	1	41	-1.0	-45.49	319.87	4.39	-41.10
CC(C)CC(NC(=O)C1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004598098	0	36	-1.0	-45.37	308.68	1.42	-43.95
CC(C)CC(NC(=O)C1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004598098	1	36	-1.0	-45.40	308.74	1.43	-43.97
CC(C)CC(NC(=O)C1=CN=CN=C1)C1=NN=N[N-]1	REAL250004598099	0	33	-1.0	-43.65	281.49	2.23	-41.42
CC(C)CC(NC(=O)C1=CN=CN=C1)C1=N[N-]N=N1	REAL250004598099	1	33	-1.0	-43.64	281.43	2.21	-41.43
CC(C)CC(NC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL250004598100	0	35	-1.0	-51.07	297.52	1.03	-50.04
CC(C)CC(NC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL250004598100	1	35	-1.0	-51.01	297.57	1.04	-49.97
CC(C)CC(NC(=O)C1CC12CCOC2)C1=N[N-]N=N1	REAL250004598101	0	40	-1.0	-45.53	318.88	2.57	-42.96
CC(C)CC(NC(=O)C1CC12CCOC2)C1=NN=N[N-]1	REAL250004598101	1	40	-1.0	-45.51	318.94	2.58	-42.93
CC(C)CC(NC(=O)C1=C(N)N(C)N=C1)C1=NN=N[N-]1	REAL250004598102	0	37	-1.0	-47.15	306.68	0.95	-46.20
CC(C)CC(NC(=O)C1=C(N)N(C)N=C1)C1=N[N-]N=N1	REAL250004598102	1	37	-1.0	-47.16	306.62	0.94	-46.22
CCCC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598103	0	40	-1.0	-45.18	335.48	1.04	-44.14
CCCC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598103	1	40	-1.0	-45.18	335.54	1.05	-44.13
CC(C)CC(NC(=O)C1=CCOCC1)C1=N[N-]N=N1	REAL250004598104	0	37	-1.0	-45.70	298.81	2.00	-43.70
CC(C)CC(NC(=O)C1=CCOCC1)C1=NN=N[N-]1	REAL250004598104	1	37	-1.0	-45.67	298.87	2.01	-43.66
CC(C)CC(NC(=O)C1=COC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004598105	0	38	-1.0	-45.84	323.91	1.11	-44.73
CC(C)CC(NC(=O)C1=COC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004598105	1	38	-1.0	-45.83	323.97	1.12	-44.71
CC(C)CC(NC(=O)C1=CSC(=O)N1)C1=N[N-]N=N1	REAL250004598106	0	32	-1.0	-44.49	287.46	-0.01	-44.50
CC(C)CC(NC(=O)C1=CSC(=O)N1)C1=NN=N[N-]1	REAL250004598106	1	32	-1.0	-44.50	287.51	0.00	-44.50
CC(C)CC(NC(=O)C(F)(F)C(C)(C)O)C1=N[N-]N=N1	REAL250004598107	0	38	-1.0	-42.87	312.88	1.34	-41.53
CC(C)CC(NC(=O)C(F)(F)C(C)(C)O)C1=NN=N[N-]1	REAL250004598107	1	38	-1.0	-42.85	312.94	1.36	-41.49
CC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(O)=C1	REAL250004598108	0	38	-1.0	-48.68	318.96	1.65	-47.03
CC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(O)=C1	REAL250004598108	1	38	-1.0	-48.73	319.02	1.67	-47.06
CC#CCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598109	0	39	-1.0	-48.71	326.72	4.88	-43.83
CC#CCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598109	1	39	-1.0	-48.70	326.77	4.89	-43.81
CC(C)CC(NC(=O)C(C)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004598110	0	49	-1.0	-45.63	370.47	5.65	-39.98
CC(C)CC(NC(=O)C(C)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004598110	1	49	-1.0	-45.67	370.53	5.67	-40.00
CC(C)CC(NC(=O)C1C=CCCC1)C1=N[N-]N=N1	REAL250004598111	0	39	-1.0	-45.36	309.00	4.36	-41.00
CC(C)CC(NC(=O)C1C=CCCC1)C1=NN=N[N-]1	REAL250004598111	1	39	-1.0	-45.32	309.06	4.38	-40.94
COC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598112	0	35	-1.0	-40.91	303.18	-0.37	-41.28
COC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598112	1	35	-1.0	-40.88	303.12	-0.39	-41.27
CCOC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598113	0	38	-1.0	-45.03	325.35	-1.25	-46.28
CCOC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598113	1	38	-1.0	-45.02	325.29	-1.27	-46.29
CC(C)CC(NC(=O)C1=COC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004598114	0	36	-1.0	-53.34	313.01	-1.03	-54.37
CC(C)CC(NC(=O)C1=COC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004598114	1	36	-1.0	-53.35	313.07	-1.02	-54.37
CC(C)CC(NC(=O)CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004598115	0	39	-1.0	-48.34	327.20	2.00	-46.34
CC(C)CC(NC(=O)CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004598115	1	39	-1.0	-48.33	327.26	2.02	-46.31
CCNC(=O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598116	0	38	-1.0	-57.17	313.64	1.76	-55.41
CCNC(=O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598116	1	38	-1.0	-57.13	313.70	1.78	-55.35
CNC(=O)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598117	0	41	-1.0	-57.59	337.22	0.95	-56.64
CNC(=O)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598117	1	41	-1.0	-57.57	337.28	0.96	-56.61
CCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C	REAL250004598118	0	41	-1.0	-50.71	338.45	3.21	-47.50
CCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C	REAL250004598118	1	41	-1.0	-50.72	338.51	3.23	-47.49
C#CCCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598119	0	42	-1.0	-47.59	347.84	5.52	-42.07
C#CCCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598119	1	42	-1.0	-47.61	347.90	5.53	-42.08
CC(C)CC(NC(=O)C1CC(C)CC(C)C1)C1=N[N-]N=N1	REAL250004598120	0	47	-1.0	-45.03	358.96	5.63	-39.40
CC(C)CC(NC(=O)C1CC(C)CC(C)C1)C1=NN=N[N-]1	REAL250004598120	1	47	-1.0	-45.07	359.01	5.64	-39.43
CC(C)CC(NC(=O)C1CCC(C)(C)C1)C1=N[N-]N=N1	REAL250004598121	0	44	-1.0	-46.55	340.37	4.90	-41.65
CC(C)CC(NC(=O)C1CCC(C)(C)C1)C1=NN=N[N-]1	REAL250004598121	1	44	-1.0	-46.51	340.43	4.91	-41.60
CCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004598122	0	41	-1.0	-46.84	339.66	3.58	-43.26
CCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004598122	1	41	-1.0	-46.86	339.60	3.56	-43.30
COC(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598123	0	41	-1.0	-47.22	330.78	2.50	-44.72
COC(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598123	1	41	-1.0	-47.19	330.84	2.51	-44.68
CC(C)CC(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598124	0	41	-1.0	-45.91	332.07	5.39	-40.52
CC(C)CC(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598124	1	41	-1.0	-45.91	332.12	5.41	-40.50
CC(C)CC(NC(=O)[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598125	0	41	-1.0	-45.91	332.09	5.41	-40.50
CC(C)CC(NC(=O)[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598125	1	41	-1.0	-45.91	332.15	5.42	-40.49
CCC1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCO1	REAL250004598126	0	45	-1.0	-48.22	344.19	3.54	-44.68
CCC1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCO1	REAL250004598126	1	45	-1.0	-48.22	344.24	3.55	-44.67
CCC(C)C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598127	0	43	-1.0	-45.51	327.81	4.40	-41.11
CCC(C)C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598127	1	43	-1.0	-45.46	327.87	4.41	-41.05
CC(C)CC(NC(=O)CCCOC(C)C)C1=N[N-]N=N1	REAL250004598128	0	44	-1.0	-47.86	353.37	3.45	-44.41
CC(C)CC(NC(=O)CCCOC(C)C)C1=NN=N[N-]1	REAL250004598128	1	44	-1.0	-47.84	353.43	3.46	-44.38
CC(C)CC(NC(=O)C(=O)NCC(F)F)C1=N[N-]N=N1	REAL250004598129	0	35	-1.0	-43.98	307.59	-0.12	-44.10
CC(C)CC(NC(=O)C(=O)NCC(F)F)C1=NN=N[N-]1	REAL250004598129	1	35	-1.0	-43.99	307.65	-0.10	-44.09
CC(C)CC(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004598130	0	42	-1.0	-46.46	338.45	5.89	-40.57
CC(C)CC(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004598130	1	42	-1.0	-46.43	338.51	5.90	-40.53
COC1(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CCC1	REAL250004598131	0	42	-1.0	-49.15	329.89	2.78	-46.37
COC1(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CCC1	REAL250004598131	1	42	-1.0	-49.19	329.95	2.79	-46.40
CC(C)CC(NC(=O)C1CCCOC1C)C1=N[N-]N=N1	REAL250004598132	0	42	-1.0	-44.41	325.29	2.76	-41.65
CC(C)CC(NC(=O)C1CCCOC1C)C1=NN=N[N-]1	REAL250004598132	1	42	-1.0	-44.39	325.35	2.77	-41.62
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCCO1	REAL250004598133	0	43	-1.0	-45.61	340.64	4.08	-41.53
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCCO1	REAL250004598133	1	43	-1.0	-45.65	340.71	4.08	-41.57
CC(C)CC(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004598134	0	34	-1.0	-57.31	297.22	3.18	-54.13
CC(C)CC(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004598134	1	34	-1.0	-57.29	297.28	3.19	-54.10
CC(C)CC(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004598135	0	40	-1.0	-47.95	331.70	3.87	-44.08
CC(C)CC(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004598135	1	40	-1.0	-47.94	331.76	3.88	-44.06
CC(C)CC(NC(=O)C1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004598136	0	32	-1.0	-44.52	300.52	3.68	-40.84
CC(C)CC(NC(=O)C1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004598136	1	32	-1.0	-44.49	300.58	3.69	-40.80
CC(C)CC(NC(=O)CC1(C)CC1)C1=N[N-]N=N1	REAL250004598137	0	38	-1.0	-45.81	307.12	3.91	-41.90
CC(C)CC(NC(=O)CC1(C)CC1)C1=NN=N[N-]1	REAL250004598137	1	38	-1.0	-45.83	307.18	3.93	-41.90
CC(C)CC(NC(=O)CCC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004598138	0	39	-1.0	-47.05	326.63	3.71	-43.34
CC(C)CC(NC(=O)CCC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004598138	1	39	-1.0	-47.04	326.69	3.73	-43.31
CCC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598140	0	40	-1.0	-45.10	312.57	3.88	-41.22
CCC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598140	1	40	-1.0	-45.10	312.63	3.89	-41.21
CC(C)CC(NC(=O)CC(C)(F)F)C1=N[N-]N=N1	REAL250004598141	0	34	-1.0	-51.33	288.01	2.82	-48.51
CC(C)CC(NC(=O)CC(C)(F)F)C1=NN=N[N-]1	REAL250004598141	1	34	-1.0	-51.32	288.07	2.83	-48.49
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(=O)OC	REAL250004598142	0	40	-1.0	-52.40	324.48	4.22	-48.18
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(=O)OC	REAL250004598142	1	40	-1.0	-52.39	324.54	4.23	-48.16
CC(C)CC(NC(=O)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004598143	0	33	-1.0	-42.20	300.41	1.06	-41.14
CC(C)CC(NC(=O)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004598143	1	33	-1.0	-42.20	300.35	1.03	-41.17
CC(C)CC(NC(=O)C1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004598144	0	32	-1.0	-45.77	299.87	3.71	-42.06
CC(C)CC(NC(=O)C1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004598144	1	32	-1.0	-45.73	299.92	3.72	-42.01
COC1CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598145	0	45	-1.0	-48.29	343.24	3.28	-45.01
COC1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598145	1	45	-1.0	-48.25	343.31	3.30	-44.95
CC(C)CC(NC(=O)C1=CNC=C(F)C1=O)C1=N[N-]N=N1	REAL250004598146	0	35	-1.0	-59.89	300.67	2.20	-57.69
CC(C)CC(NC(=O)C1=CNC=C(F)C1=O)C1=NN=N[N-]1	REAL250004598146	1	35	-1.0	-59.90	300.72	2.21	-57.69
CC(C)CC(NC(=O)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004598147	0	37	-1.0	-48.03	312.34	1.64	-46.39
CC(C)CC(NC(=O)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004598147	1	37	-1.0	-48.02	312.28	1.63	-46.39
CC(C)CC(NC(=O)CC1OCCCO1)C1=N[N-]N=N1	REAL250004598148	0	40	-1.0	-48.21	321.44	2.23	-45.98
CC(C)CC(NC(=O)CC1OCCCO1)C1=NN=N[N-]1	REAL250004598148	1	40	-1.0	-48.19	321.50	2.24	-45.95
CC(C)CC(NC(=O)CC1OCCO1)C1=N[N-]N=N1	REAL250004598149	0	37	-1.0	-47.35	303.20	1.35	-46.00
CC(C)CC(NC(=O)CC1OCCO1)C1=NN=N[N-]1	REAL250004598149	1	37	-1.0	-47.38	303.26	1.37	-46.01
CCN1C=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004598150	0	41	-1.0	-48.78	340.53	3.51	-45.27
CCN1C=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004598150	1	41	-1.0	-48.76	340.47	3.49	-45.27
CC(C)CC(NC(=O)C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004598151	0	41	-1.0	-47.12	336.75	3.31	-43.81
CC(C)CC(NC(=O)C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004598151	1	41	-1.0	-47.13	336.70	3.29	-43.84
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598152	0	35	-1.0	-48.80	296.85	2.99	-45.81
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598152	1	35	-1.0	-48.80	296.90	2.99	-45.81
CC(C)CC(NC(=O)C=CC1=CC=CN1)C1=N[N-]N=N1	REAL250004598153	0	37	-1.0	-48.34	311.14	3.28	-45.06
CC(C)CC(NC(=O)C=CC1=CC=CN1)C1=NN=N[N-]1	REAL250004598153	1	37	-1.0	-48.33	311.20	3.29	-45.04
CC(C)CC(NC(=O)C1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL250004598154	0	34	-1.0	-49.68	297.70	2.42	-47.26
CC(C)CC(NC(=O)C1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL250004598154	1	34	-1.0	-49.70	297.64	2.40	-47.30
CC(C)CC(NC(=O)CCC1=CNC=N1)C1=N[N-]N=N1	REAL250004598155	0	38	-1.0	-51.04	316.88	3.20	-47.84
CC(C)CC(NC(=O)CCC1=CNC=N1)C1=NN=N[N-]1	REAL250004598155	1	38	-1.0	-51.06	316.94	3.21	-47.85
CC(C)CC(NC(=O)CCC1=CN=CN1)C1=N[N-]N=N1	REAL250004598155	1	38	-1.0	-48.34	316.85	3.20	-45.14
CC(C)CC(NC(=O)C=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004598156	0	36	-1.0	-51.88	307.83	3.14	-48.74
CC(C)CC(NC(=O)C=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004598156	1	36	-1.0	-51.85	307.89	3.16	-48.69
CC(=O)CC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598157	0	45	-1.0	-52.21	344.68	4.38	-47.83
CC(=O)CC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598157	1	45	-1.0	-52.18	344.74	4.39	-47.79
CC(=O)N1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598158	0	39	-1.0	-48.39	324.12	1.63	-46.76
CC(=O)N1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598158	1	39	-1.0	-48.41	324.17	1.64	-46.77
CC(C)CC(NC(=O)C(=O)NCC1CC1)C1=N[N-]N=N1	REAL250004598159	0	39	-1.0	-40.94	326.37	1.11	-39.83
CC(C)CC(NC(=O)C(=O)NCC1CC1)C1=NN=N[N-]1	REAL250004598159	1	39	-1.0	-40.93	326.43	1.13	-39.80
CC[C@H]1CC[C@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598160	0	47	-1.0	-44.95	356.36	5.68	-39.27
CC[C@H]1CC[C@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598160	1	47	-1.0	-44.94	356.41	5.69	-39.25
CC(C)CC(NC(=O)C1=CCCCC1)C1=N[N-]N=N1	REAL250004598161	0	39	-1.0	-46.47	307.51	4.40	-42.07
CC(C)CC(NC(=O)C1=CCCCC1)C1=NN=N[N-]1	REAL250004598161	1	39	-1.0	-46.50	307.57	4.41	-42.09
CC(C)CC(NC(=O)C1CC1(C)C(C)C)C1=N[N-]N=N1	REAL250004598162	0	44	-1.0	-45.15	331.89	4.73	-40.42
CC(C)CC(NC(=O)C1CC1(C)C(C)C)C1=NN=N[N-]1	REAL250004598162	1	44	-1.0	-45.15	331.95	4.74	-40.41
CC(C)CC(NC(=O)CC1=COC=C1)C1=N[N-]N=N1	REAL250004598163	0	35	-1.0	-47.19	296.86	2.80	-44.39
CC(C)CC(NC(=O)CC1=COC=C1)C1=NN=N[N-]1	REAL250004598163	1	35	-1.0	-47.17	296.92	2.81	-44.36
CC(C)CC(NC(=O)CC1=CN=CS1)C1=NN=N[N-]1	REAL250004598164	0	34	-1.0	-46.84	300.94	2.11	-44.73
CC(C)CC(NC(=O)CC1=CN=CS1)C1=N[N-]N=N1	REAL250004598164	1	34	-1.0	-46.81	300.88	2.09	-44.72
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C	REAL250004598165	0	39	-1.0	-49.41	320.59	0.38	-49.03
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C	REAL250004598165	1	39	-1.0	-49.46	320.53	0.36	-49.10
CNC(=O)CCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598166	0	44	-1.0	-49.39	358.68	1.77	-47.62
CNC(=O)CCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598166	1	44	-1.0	-49.38	358.74	1.78	-47.60
CC(C)CC(NC(=O)C(O)C1CCCCC1)C1=N[N-]N=N1	REAL250004598167	0	45	-1.0	-45.51	344.83	3.11	-42.40
CC(C)CC(NC(=O)C(O)C1CCCCC1)C1=NN=N[N-]1	REAL250004598167	1	45	-1.0	-45.49	344.88	3.13	-42.36
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NN=N1	REAL250004598168	0	34	-1.0	-41.68	286.42	-0.12	-41.80
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NN=N1	REAL250004598168	1	34	-1.0	-41.71	286.48	-0.10	-41.81
CC(C)CC(NC(=O)C1COC(C)C1)C1=N[N-]N=N1	REAL250004598169	0	39	-1.0	-45.56	311.05	1.95	-43.61
CC(C)CC(NC(=O)C1COC(C)C1)C1=NN=N[N-]1	REAL250004598169	1	39	-1.0	-45.53	311.11	1.97	-43.56
CC(C)CC(NC(=O)CCC1=CN=CN1C)C1=N[N-]N=N1	REAL250004598170	0	41	-1.0	-46.27	337.26	4.79	-41.48
CC(C)CC(NC(=O)CCC1=CN=CN1C)C1=NN=N[N-]1	REAL250004598170	1	41	-1.0	-46.26	337.32	4.80	-41.46
CC(C)CC(NC(=O)C(F)C(C)C)C1=N[N-]N=N1	REAL250004598171	0	37	-1.0	-42.43	298.39	3.25	-39.18
CC(C)CC(NC(=O)C(F)C(C)C)C1=NN=N[N-]1	REAL250004598171	1	37	-1.0	-42.39	298.45	3.26	-39.13
CC(C)CC(NC(=O)C1NC(=O)OC1C)C1=N[N-]N=N1	REAL250004598172	0	37	-1.0	-52.16	304.50	-1.39	-53.55
CC(C)CC(NC(=O)C1NC(=O)OC1C)C1=NN=N[N-]1	REAL250004598172	1	37	-1.0	-52.17	304.55	-1.38	-53.55
CCN1N=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598173	0	38	-1.0	-43.85	313.50	2.77	-41.08
CCN1N=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598173	1	38	-1.0	-43.85	313.44	2.77	-41.08
CC(C)CC(NC(=O)C1=CCCCCC1)C1=N[N-]N=N1	REAL250004598174	0	42	-1.0	-47.49	322.44	4.96	-42.53
CC(C)CC(NC(=O)C1=CCCCCC1)C1=NN=N[N-]1	REAL250004598174	1	42	-1.0	-47.47	322.50	4.97	-42.50
CC(C)CC(NC(=O)C1=C(O)C=CC=C1F)C1=N[N-]N=N1	REAL250004598175	0	36	-1.0	-55.52	312.28	1.28	-54.24
CC(C)CC(NC(=O)C1=C(O)C=CC=C1F)C1=NN=N[N-]1	REAL250004598175	1	36	-1.0	-55.48	312.34	1.29	-54.19
CC1=CN=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598176	0	40	-1.0	-49.45	332.46	3.72	-45.73
CC1=CN=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598176	1	40	-1.0	-49.48	332.52	3.73	-45.75
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N(C)C=C1	REAL250004598177	0	39	-1.0	-45.37	323.68	4.17	-41.20
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N(C)C=C1	REAL250004598177	1	39	-1.0	-45.38	323.74	4.19	-41.19
CC(C)CC(NC(=O)C1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004598178	0	39	-1.0	-48.87	318.81	1.71	-47.16
CC(C)CC(NC(=O)C1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004598178	1	39	-1.0	-48.93	318.87	1.73	-47.20
CC(C)CC(NC(=O)C1CCCC1(C)C)C1=N[N-]N=N1	REAL250004598179	0	44	-1.0	-47.04	334.38	4.82	-42.22
CC(C)CC(NC(=O)C1CCCC1(C)C)C1=NN=N[N-]1	REAL250004598179	1	44	-1.0	-47.11	334.44	4.84	-42.27
CCOC1CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598180	0	45	-1.0	-50.37	359.21	3.90	-46.47
CCOC1CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598180	1	45	-1.0	-50.35	359.26	3.91	-46.44
CC(C)CC(NC(=O)C1=CC=CC(O)=C1O)C1=N[N-]N=N1	REAL250004598181	0	37	-1.0	-49.75	311.08	0.39	-49.36
CC(C)CC(NC(=O)C1=CC=CC(O)=C1O)C1=NN=N[N-]1	REAL250004598181	1	37	-1.0	-49.80	311.14	0.40	-49.40
CC(C)CC(NC(=O)CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004598182	0	38	-1.0	-49.42	315.90	3.92	-45.50
CC(C)CC(NC(=O)CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004598182	1	38	-1.0	-49.41	315.95	3.94	-45.47
CC(C)CC(NC(=O)CCC(C)(C)O)C1=N[N-]N=N1	REAL250004598183	0	41	-1.0	-47.88	325.99	0.62	-47.26
CC(C)CC(NC(=O)CCC(C)(C)O)C1=NN=N[N-]1	REAL250004598183	1	41	-1.0	-47.90	326.05	0.63	-47.27
CC(C)CC(NC(=O)CCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004598184	0	41	-1.0	-45.40	337.79	3.18	-42.22
CC(C)CC(NC(=O)CCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004598184	1	41	-1.0	-45.41	337.84	3.19	-42.22
CC(C)CC(NC(=O)C1(F)CCCC1)C1=N[N-]N=N1	REAL250004598185	0	38	-1.0	-42.07	305.23	3.77	-38.30
CC(C)CC(NC(=O)C1(F)CCCC1)C1=NN=N[N-]1	REAL250004598185	1	38	-1.0	-42.04	305.29	3.79	-38.25
CC(C)CC(NC(=O)C1=CC=NC=N1)C1=NN=N[N-]1	REAL250004598186	0	33	-1.0	-44.21	283.82	2.27	-41.94
CC(C)CC(NC(=O)C1=CC=NC=N1)C1=N[N-]N=N1	REAL250004598186	1	33	-1.0	-44.22	283.76	2.25	-41.97
CC1=CN=CC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598187	0	40	-1.0	-47.37	328.18	3.54	-43.83
CC1=CN=CC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598187	1	40	-1.0	-47.42	328.23	3.55	-43.87
CC(C)CC(NC(=O)CC1C=CCCC1)C1=N[N-]N=N1	REAL250004598188	0	42	-1.0	-47.90	328.24	5.01	-42.89
CC(C)CC(NC(=O)CC1C=CCCC1)C1=NN=N[N-]1	REAL250004598188	1	42	-1.0	-47.92	328.30	5.02	-42.90
CC(C)CC(NC(=O)CC1CCCC1C)C1=N[N-]N=N1	REAL250004598189	0	44	-1.0	-45.67	340.20	5.06	-40.61
CC(C)CC(NC(=O)CC1CCCC1C)C1=NN=N[N-]1	REAL250004598189	1	44	-1.0	-45.72	340.26	5.08	-40.64
CC(C)CC(NC(=O)C1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004598190	0	39	-1.0	-51.00	315.72	1.88	-49.12
CC(C)CC(NC(=O)C1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004598190	1	39	-1.0	-51.00	315.77	1.89	-49.11
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598191	0	34	-1.0	-46.17	292.46	-0.47	-46.64
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598191	1	34	-1.0	-46.18	292.51	-0.45	-46.63
CC(C)CC(NC(=O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598192	0	41	-1.0	-45.89	332.01	5.43	-40.46
CC(C)CC(NC(=O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598192	1	41	-1.0	-45.90	332.07	5.46	-40.44
CC(C)CC(NC(=O)[C@H](C)NC(N)=O)C1=N[N-]N=N1	REAL250004598193	0	37	-1.0	-43.82	307.25	-2.36	-46.18
CC(C)CC(NC(=O)[C@H](C)NC(N)=O)C1=NN=N[N-]1	REAL250004598193	1	37	-1.0	-43.80	307.30	-2.35	-46.15
CC1=CC(C)=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598194	0	40	-1.0	-48.28	331.77	3.75	-44.53
CC1=CC(C)=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598194	1	40	-1.0	-48.24	331.83	3.77	-44.47
CC(C)CC(NC(=O)C1CCC(F)C1)C1=N[N-]N=N1	REAL250004598195	0	38	-1.0	-45.05	305.68	3.83	-41.22
CC(C)CC(NC(=O)C1CCC(F)C1)C1=NN=N[N-]1	REAL250004598195	1	38	-1.0	-45.05	305.73	3.84	-41.21
CC(C)CC(NC(=O)C(O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004598196	0	39	-1.0	-48.67	328.78	0.59	-48.08
CC(C)CC(NC(=O)C(O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004598196	1	39	-1.0	-48.71	328.72	0.57	-48.14
CC(C)CC(NC(=O)C1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004598197	0	38	-1.0	-41.77	322.27	3.71	-38.06
CC(C)CC(NC(=O)C1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004598197	1	38	-1.0	-41.79	322.32	3.72	-38.07
CC(C)CC(NC(=O)[C@H]1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004598198	0	39	-1.0	-49.41	315.92	0.71	-48.70
CC(C)CC(NC(=O)[C@H]1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004598198	1	39	-1.0	-49.43	315.98	0.72	-48.71
CC1=C(C#N)C=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598199	0	39	-1.0	-47.23	325.97	5.05	-42.18
CC1=C(C#N)C=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598199	1	39	-1.0	-47.23	326.03	5.07	-42.16
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C#N	REAL250004598200	0	39	-1.0	-48.85	331.41	5.10	-43.75
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C#N	REAL250004598200	1	39	-1.0	-48.82	331.47	5.12	-43.70
CC(C)CC(NC(=O)C1OC(C)CC1C)C1=N[N-]N=N1	REAL250004598201	0	42	-1.0	-48.42	319.17	3.92	-44.50
CC(C)CC(NC(=O)C1OC(C)CC1C)C1=NN=N[N-]1	REAL250004598201	1	42	-1.0	-48.37	319.23	3.94	-44.43
CC(C)CC(NC(=O)COC1=CSC=C1)C1=N[N-]N=N1	REAL250004598202	0	36	-1.0	-48.27	315.82	3.74	-44.53
CC(C)CC(NC(=O)COC1=CSC=C1)C1=NN=N[N-]1	REAL250004598202	1	36	-1.0	-48.29	315.87	3.76	-44.53
CCC1CCCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598203	0	47	-1.0	-45.13	351.67	5.63	-39.50
CCC1CCCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598203	1	47	-1.0	-45.16	351.73	5.65	-39.51
CC(C)CC(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004598204	0	34	-1.0	-43.69	295.13	2.58	-41.11
CC(C)CC(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004598204	1	34	-1.0	-43.72	295.08	2.56	-41.16
CC(C)CC(NC(=O)C=CC1=CN=CS1)C1=N[N-]N=N1	REAL250004598205	0	35	-1.0	-46.50	311.36	2.64	-43.86
CC(C)CC(NC(=O)C=CC1=CN=CS1)C1=NN=N[N-]1	REAL250004598205	1	35	-1.0	-46.48	311.41	2.66	-43.82
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004598206	0	35	-1.0	-46.10	299.26	3.52	-42.58
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004598206	1	35	-1.0	-46.09	299.31	3.54	-42.55
CCCCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598207	0	43	-1.0	-45.47	336.73	4.74	-40.73
CCCCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598207	1	43	-1.0	-45.49	336.80	4.75	-40.74
CC(C)CC(NC(=O)C(C)CC(N)=O)C1=N[N-]N=N1	REAL250004598208	0	38	-1.0	-45.49	309.08	-0.67	-46.16
CC(C)CC(NC(=O)C(C)CC(N)=O)C1=NN=N[N-]1	REAL250004598208	1	38	-1.0	-45.49	309.14	-0.66	-46.15
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C=O)N1	REAL250004598209	0	38	-1.0	-48.27	320.43	2.19	-46.08
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C=O)N1	REAL250004598209	1	38	-1.0	-48.26	320.49	2.21	-46.05
CC(C)CC(NC(=O)C1=CN=NN1C)C1=NN=N[N-]1	REAL250004598210	0	34	-1.0	-42.08	286.64	0.58	-41.50
CC(C)CC(NC(=O)C1=CN=NN1C)C1=N[N-]N=N1	REAL250004598210	1	34	-1.0	-42.06	286.59	0.56	-41.50
CC(C)CC(NC(=O)C1CCCOCC1)C1=N[N-]N=N1	REAL250004598211	0	42	-1.0	-48.47	321.93	2.72	-45.75
CC(C)CC(NC(=O)C1CCCOCC1)C1=NN=N[N-]1	REAL250004598211	1	42	-1.0	-48.46	321.99	2.74	-45.72
COC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598212	0	41	-1.0	-48.83	318.66	3.10	-45.73
COC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598212	1	41	-1.0	-48.81	318.72	3.12	-45.69
CNC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004598213	0	39	-1.0	-47.32	321.22	2.05	-45.27
CNC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004598213	1	39	-1.0	-47.34	321.28	2.07	-45.27
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)NC=N1	REAL250004598214	0	38	-1.0	-49.05	316.55	2.91	-46.14
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)NC=N1	REAL250004598214	1	38	-1.0	-49.04	316.61	2.93	-46.11
CC(C)CC(NC(=O)C1=NC=CS1)C1=NN=N[N-]1	REAL250004598215	0	31	-1.0	-45.01	279.64	1.33	-43.68
CC(C)CC(NC(=O)C1=NC=CS1)C1=N[N-]N=N1	REAL250004598215	1	31	-1.0	-45.04	279.58	1.31	-43.73
CC1=C(C)SC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598216	0	37	-1.0	-50.25	319.29	2.52	-47.73
CC1=C(C)SC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598216	1	37	-1.0	-50.27	319.35	2.53	-47.74
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C#N)O1	REAL250004598217	0	36	-1.0	-42.26	313.69	3.46	-38.80
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C#N)O1	REAL250004598217	1	36	-1.0	-42.28	313.75	3.47	-38.81
CC(C)CC(NC(=O)CC(C)(C)C#N)C1=N[N-]N=N1	REAL250004598218	0	38	-1.0	-41.49	308.55	3.40	-38.09
CC(C)CC(NC(=O)CC(C)(C)C#N)C1=NN=N[N-]1	REAL250004598218	1	38	-1.0	-41.48	308.61	3.42	-38.06
CC(C)CC(NC(=O)C1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004598219	0	38	-1.0	-50.17	311.98	3.95	-46.22
CC(C)CC(NC(=O)C1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004598219	1	38	-1.0	-50.18	312.04	3.96	-46.22
CC(C)CC(NC(=O)C1CCC(C)(C)O1)C1=N[N-]N=N1	REAL250004598220	0	42	-1.0	-49.93	333.54	3.79	-46.14
CC(C)CC(NC(=O)C1CCC(C)(C)O1)C1=NN=N[N-]1	REAL250004598220	1	42	-1.0	-49.93	333.60	3.81	-46.12
CCN1C=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598221	0	38	-1.0	-47.74	314.36	3.53	-44.21
CCN1C=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598221	1	38	-1.0	-47.75	314.30	3.52	-44.23
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC=C1	REAL250004598222	0	36	-1.0	-48.25	296.63	2.65	-45.60
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC=C1	REAL250004598222	1	36	-1.0	-48.31	296.68	2.67	-45.64
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CO1	REAL250004598223	0	38	-1.0	-46.37	314.65	3.72	-42.65
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CO1	REAL250004598223	1	38	-1.0	-46.38	314.71	3.74	-42.64
C#CC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598224	0	36	-1.0	-46.29	313.73	3.61	-42.68
C#CC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598224	1	36	-1.0	-46.29	313.78	3.63	-42.66
CC(C)CC(NC(=O)C1=CC=CN=C1F)C1=NN=N[N-]1	REAL250004598225	0	34	-1.0	-53.04	291.11	2.38	-50.66
CC(C)CC(NC(=O)C1=CC=CN=C1F)C1=N[N-]N=N1	REAL250004598225	1	34	-1.0	-53.03	291.06	2.37	-50.66
CC(C)CC(NC(=O)C1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004598226	0	35	-1.0	-45.68	297.48	-0.45	-46.13
CC(C)CC(NC(=O)C1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004598226	1	35	-1.0	-45.71	297.54	-0.43	-46.14
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=N1	REAL250004598227	0	37	-1.0	-45.53	308.25	3.04	-42.49
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=N1	REAL250004598227	1	37	-1.0	-45.48	308.31	3.06	-42.42
CC(C)CC(NC(=O)CCC1=NC=CN1)C1=N[N-]N=N1	REAL250004598228	0	38	-1.0	-48.62	316.87	2.37	-46.25
CC(C)CC(NC(=O)CCC1=NC=CN1)C1=NN=N[N-]1	REAL250004598228	1	38	-1.0	-48.62	316.93	2.38	-46.24
CC(C)CC(NC(=O)C(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004598229	0	40	-1.0	-51.25	326.87	3.46	-47.79
CC(C)CC(NC(=O)C(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004598229	1	40	-1.0	-51.26	326.93	3.48	-47.78
CC(C)CC(NC(=O)C1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004598230	0	38	-1.0	-56.64	318.46	2.39	-54.25
CC(C)CC(NC(=O)C1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004598230	1	38	-1.0	-56.64	318.41	2.38	-54.26
CC(C)CC(NC(=O)C1CCC(O)CC1)C1=N[N-]N=N1	REAL250004598231	0	42	-1.0	-48.62	326.30	1.21	-47.41
CC(C)CC(NC(=O)C1CCC(O)CC1)C1=NN=N[N-]1	REAL250004598231	1	42	-1.0	-48.63	326.36	1.22	-47.41
CC(C)CC(NC(=O)C1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL250004598232	0	39	-1.0	-50.86	324.27	1.53	-49.33
CC(C)CC(NC(=O)C1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL250004598232	1	39	-1.0	-50.88	324.33	1.54	-49.34
CC(C)CC(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004598233	0	31	-1.0	-45.85	278.76	1.35	-44.50
CC(C)CC(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004598233	1	31	-1.0	-45.84	278.71	1.33	-44.51
CC(C)CC(NC(=O)CC1CCCOC1)C1=N[N-]N=N1	REAL250004598234	0	42	-1.0	-48.23	326.91	2.79	-45.44
CC(C)CC(NC(=O)CC1CCCOC1)C1=NN=N[N-]1	REAL250004598234	1	42	-1.0	-48.25	326.96	2.80	-45.45
CC(C)CC(NC(=O)CCC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004598235	0	39	-1.0	-47.25	326.45	2.05	-45.20
CC(C)CC(NC(=O)CCC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004598235	1	39	-1.0	-47.24	326.51	2.07	-45.17
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CN1C	REAL250004598236	0	39	-1.0	-50.25	316.73	4.22	-46.03
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CN1C	REAL250004598236	1	39	-1.0	-50.25	316.79	4.24	-46.01
CC(C)CC(NC(=O)C1=CN(C(C)C)C=N1)C1=NN=N[N-]1	REAL250004598237	0	41	-1.0	-49.92	338.46	4.73	-45.19
CC(C)CC(NC(=O)C1=CN(C(C)C)C=N1)C1=N[N-]N=N1	REAL250004598237	1	41	-1.0	-49.95	338.41	4.72	-45.23
C=CC(C)(O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598238	0	39	-1.0	-47.47	312.98	1.67	-45.80
C=CC(C)(O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598238	1	39	-1.0	-47.48	313.04	1.68	-45.80
CC(=O)CSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598239	0	37	-1.0	-55.73	323.63	3.13	-52.60
CC(=O)CSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598239	1	37	-1.0	-55.71	323.68	3.14	-52.57
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SCCO1	REAL250004598240	0	38	-1.0	-45.88	314.95	3.16	-42.72
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SCCO1	REAL250004598240	1	38	-1.0	-45.86	315.01	3.18	-42.68
CC(C)CC(NC(=O)C1CCOCC1C)C1=N[N-]N=N1	REAL250004598241	0	42	-1.0	-46.41	318.17	2.50	-43.91
CC(C)CC(NC(=O)C1CCOCC1C)C1=NN=N[N-]1	REAL250004598241	1	42	-1.0	-46.45	318.23	2.52	-43.93
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NS1	REAL250004598242	0	34	-1.0	-46.44	299.94	2.45	-43.99
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NS1	REAL250004598242	1	34	-1.0	-46.43	299.99	2.47	-43.96
CCC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598243	0	40	-1.0	-45.74	329.43	3.84	-41.90
CCC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598243	1	40	-1.0	-45.74	329.38	3.83	-41.91
CC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598244	0	37	-1.0	-43.13	320.84	2.84	-40.29
CC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598244	1	37	-1.0	-43.12	320.90	2.86	-40.26
CC(C)CC(NC(=O)CC1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004598245	0	37	-1.0	-50.06	316.49	3.02	-47.04
CC(C)CC(NC(=O)CC1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004598245	1	37	-1.0	-50.07	316.55	3.03	-47.04
CC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598246	0	36	-1.0	-52.53	305.96	2.29	-50.24
CC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598246	1	36	-1.0	-52.47	306.02	2.31	-50.16
CC(C)CC(NC(=O)CC(C)(C)O)C1=N[N-]N=N1	REAL250004598247	0	38	-1.0	-48.13	303.10	0.93	-47.20
CC(C)CC(NC(=O)CC(C)(C)O)C1=NN=N[N-]1	REAL250004598247	1	38	-1.0	-48.15	303.16	0.95	-47.20
CC(C)CC(NC(=O)CCOCC(F)F)C1=N[N-]N=N1	REAL250004598248	0	38	-1.0	-46.39	324.65	2.21	-44.18
CC(C)CC(NC(=O)CCOCC(F)F)C1=NN=N[N-]1	REAL250004598248	1	38	-1.0	-46.44	324.71	2.22	-44.22
CC(C)CC(NC(=O)CC1CCC(=O)C1C)C1=N[N-]N=N1	REAL250004598249	0	43	-1.0	-45.21	342.90	4.23	-40.98
CC(C)CC(NC(=O)CC1CCC(=O)C1C)C1=NN=N[N-]1	REAL250004598249	1	43	-1.0	-45.24	342.96	4.24	-41.00
CC(C)CC(NC(=O)CCC(F)F)C1=N[N-]N=N1	REAL250004598250	0	34	-1.0	-47.72	290.27	2.89	-44.83
CC(C)CC(NC(=O)CCC(F)F)C1=NN=N[N-]1	REAL250004598250	1	34	-1.0	-47.68	290.33	2.90	-44.78
CC=C(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598251	0	38	-1.0	-45.07	304.04	4.04	-41.03
CC=C(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598251	1	38	-1.0	-45.06	304.10	4.06	-41.00
CC(C)CC(NC(=O)C1=CN=CN1C)C1=N[N-]N=N1	REAL250004598252	0	35	-1.0	-46.07	291.63	3.34	-42.73
CC(C)CC(NC(=O)C1=CN=CN1C)C1=NN=N[N-]1	REAL250004598252	1	35	-1.0	-46.06	291.68	3.36	-42.70
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004598253	0	39	-1.0	-46.35	318.96	3.67	-42.68
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598253	1	39	-1.0	-46.36	319.02	3.68	-42.68
CC(C)CC(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=N[N-]N=N1	REAL250004598254	0	45	-1.0	-48.67	345.84	1.84	-46.83
CC(C)CC(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=NN=N[N-]1	REAL250004598254	1	45	-1.0	-48.70	345.89	1.85	-46.85
CC(C)CC(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=N[N-]N=N1	REAL250004598255	0	45	-1.0	-48.75	345.89	1.86	-46.89
CC(C)CC(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=NN=N[N-]1	REAL250004598255	1	45	-1.0	-48.78	345.95	1.88	-46.90
CC(C)CC(NC(=O)C1=C(C#N)N(C)N=C1)C1=NN=N[N-]1	REAL250004598256	0	36	-1.0	-49.29	314.94	2.04	-47.25
CC(C)CC(NC(=O)C1=C(C#N)N(C)N=C1)C1=N[N-]N=N1	REAL250004598256	1	36	-1.0	-49.28	314.88	2.03	-47.25
CC(C)CC(NC(=O)C=CC1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004598257	0	40	-1.0	-50.27	334.78	5.10	-45.17
CC(C)CC(NC(=O)C=CC1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004598257	1	40	-1.0	-50.27	334.83	5.11	-45.16
CCC(C)C(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598258	0	44	-1.0	-49.66	341.29	3.85	-45.81
CCC(C)C(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598258	1	44	-1.0	-49.66	341.35	3.87	-45.79
CC(C)CC(NC(=O)C1=NC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004598260	0	34	-1.0	-46.15	299.74	2.63	-43.52
CC(C)CC(NC(=O)C1=NC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004598260	1	34	-1.0	-46.18	299.68	2.61	-43.57
COC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598261	0	37	-1.0	-43.23	315.82	-0.86	-44.09
COC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598261	1	37	-1.0	-43.26	315.76	-0.87	-44.13
CC(C)CC(NC(=O)C[C@H]1CCOC1)C1=N[N-]N=N1	REAL250004598262	0	39	-1.0	-46.31	310.60	1.99	-44.32
CC(C)CC(NC(=O)C[C@H]1CCOC1)C1=NN=N[N-]1	REAL250004598262	1	39	-1.0	-46.34	310.66	2.01	-44.33
CC(C)CC(NC(=O)C1=C(Cl)OC=C1)C1=N[N-]N=N1	REAL250004598263	0	32	-1.0	-47.13	289.83	2.73	-44.40
CC(C)CC(NC(=O)C1=C(Cl)OC=C1)C1=NN=N[N-]1	REAL250004598263	1	32	-1.0	-47.14	289.89	2.75	-44.39
CC(C)CC(NC(=O)C(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004598265	0	38	-1.0	-45.84	316.33	3.46	-42.38
CC(C)CC(NC(=O)C(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004598265	1	38	-1.0	-45.82	316.39	3.48	-42.34
CC(C)CC(NC(=O)[C@@H](O)C(C)C)C1=N[N-]N=N1	REAL250004598266	0	38	-1.0	-44.04	303.67	1.26	-42.78
CC(C)CC(NC(=O)[C@@H](O)C(C)C)C1=NN=N[N-]1	REAL250004598266	1	38	-1.0	-44.05	303.73	1.28	-42.77
CCC(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598267	0	43	-1.0	-45.35	334.90	4.56	-40.79
CCC(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598267	1	43	-1.0	-45.30	334.96	4.57	-40.73
CC(C)CC(NC(=O)C1=C2CCCC2=CO1)C1=N[N-]N=N1	REAL250004598268	0	39	-1.0	-48.13	321.18	4.11	-44.02
CC(C)CC(NC(=O)C1=C2CCCC2=CO1)C1=NN=N[N-]1	REAL250004598268	1	39	-1.0	-48.11	321.23	4.13	-43.98
CC(C)CC(NC(=O)C(O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004598269	0	38	-1.0	-49.13	318.74	1.13	-48.00
CC(C)CC(NC(=O)C(O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004598269	1	38	-1.0	-49.14	318.68	1.11	-48.03
CC1=NOC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598270	0	37	-1.0	-51.60	313.05	3.02	-48.58
CC1=NOC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598270	1	37	-1.0	-51.62	313.11	3.04	-48.58
CC(C)CC(NC(=O)C(O)C1CC1)C1=N[N-]N=N1	REAL250004598271	0	36	-1.0	-44.77	298.89	1.26	-43.51
CC(C)CC(NC(=O)C(O)C1CC1)C1=NN=N[N-]1	REAL250004598271	1	36	-1.0	-44.78	298.95	1.28	-43.50
CCC1OCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598272	0	42	-1.0	-44.85	333.47	2.77	-42.08
CCC1OCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598272	1	42	-1.0	-44.87	333.52	2.78	-42.09
COC(=O)COCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598273	0	38	-1.0	-57.27	325.15	2.71	-54.56
COC(=O)COCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598273	1	38	-1.0	-57.23	325.21	2.72	-54.51
CC(C)CC(NC(=O)CCCCC(C)(C)C)C1=N[N-]N=N1	REAL250004598274	0	49	-1.0	-45.39	375.84	5.87	-39.52
CC(C)CC(NC(=O)CCCCC(C)(C)C)C1=NN=N[N-]1	REAL250004598274	1	49	-1.0	-45.38	375.90	5.88	-39.50
CC(C)CC(NC(=O)[C@H](O)C(C)C)C1=N[N-]N=N1	REAL250004598275	0	38	-1.0	-44.68	303.34	1.31	-43.37
CC(C)CC(NC(=O)[C@H](O)C(C)C)C1=NN=N[N-]1	REAL250004598275	1	38	-1.0	-44.70	303.39	1.32	-43.38
CC(C)CC(NC(=O)CCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004598276	0	47	-1.0	-47.95	367.44	3.79	-44.16
CC(C)CC(NC(=O)CCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004598276	1	47	-1.0	-47.98	367.50	3.81	-44.17
CC(C)CC(NC(=O)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL250004598277	0	41	-1.0	-46.61	323.13	4.24	-42.37
CC(C)CC(NC(=O)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL250004598277	1	41	-1.0	-46.62	323.19	4.25	-42.37
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CS1	REAL250004598278	0	35	-1.0	-47.33	304.65	3.92	-43.41
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CS1	REAL250004598278	1	35	-1.0	-47.31	304.70	3.94	-43.37
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004598279	0	34	-1.0	-42.15	303.81	2.33	-39.82
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004598279	1	34	-1.0	-42.15	303.87	2.34	-39.81
CC1=COC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL250004598280	0	38	-1.0	-46.35	314.92	3.57	-42.78
CC1=COC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL250004598280	1	38	-1.0	-46.37	314.97	3.58	-42.79
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CN1	REAL250004598281	0	39	-1.0	-49.64	318.34	3.33	-46.31
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CN1	REAL250004598281	1	39	-1.0	-49.64	318.40	3.34	-46.30
CC(C)CC(NC(=O)C1=C(C(C)C)NC=C1)C1=N[N-]N=N1	REAL250004598282	0	42	-1.0	-50.27	338.44	3.92	-46.35
CC(C)CC(NC(=O)C1=C(C(C)C)NC=C1)C1=NN=N[N-]1	REAL250004598282	1	42	-1.0	-50.27	338.49	3.93	-46.34
CC(C)CC(NC(=O)COC(F)F)C1=N[N-]N=N1	REAL250004598283	0	32	-1.0	-46.51	280.39	1.62	-44.89
CC(C)CC(NC(=O)COC(F)F)C1=NN=N[N-]1	REAL250004598283	1	32	-1.0	-46.50	280.45	1.63	-44.87
CC1=NC=CC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598284	0	40	-1.0	-47.53	327.98	3.52	-44.01
CC1=NC=CC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598284	1	40	-1.0	-47.49	328.04	3.54	-43.95
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598285	0	42	-1.0	-46.10	344.04	6.18	-39.92
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598285	1	42	-1.0	-46.08	344.09	6.20	-39.88
CC(C)CC(NC(=O)C1=C(Cl)C=CS1)C1=N[N-]N=N1	REAL250004598286	0	32	-1.0	-47.16	297.40	3.71	-43.45
CC(C)CC(NC(=O)C1=C(Cl)C=CS1)C1=NN=N[N-]1	REAL250004598286	1	32	-1.0	-47.14	297.46	3.73	-43.41
CC(C)CC(NC(=O)C1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004598287	0	34	-1.0	-45.39	292.14	0.33	-45.06
CC(C)CC(NC(=O)C1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004598287	1	34	-1.0	-45.38	292.08	0.31	-45.07
CC(C)CC(NC(=O)C1=CN2C=NC=C2C=C1)C1=N[N-]N=N1	REAL250004598288	0	38	-1.0	-45.77	318.44	5.59	-40.18
CC(C)CC(NC(=O)C1=CN2C=NC=C2C=C1)C1=NN=N[N-]1	REAL250004598288	1	38	-1.0	-45.76	318.50	5.61	-40.15
CC(C)CC(NC(=O)C1COC(=O)N1)C1=N[N-]N=N1	REAL250004598289	0	34	-1.0	-51.00	288.54	-1.57	-52.57
CC(C)CC(NC(=O)C1COC(=O)N1)C1=NN=N[N-]1	REAL250004598289	1	34	-1.0	-50.98	288.60	-1.55	-52.53
CC1=COC(C)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598290	0	38	-1.0	-46.17	320.38	3.59	-42.58
CC1=COC(C)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598290	1	38	-1.0	-46.16	320.44	3.60	-42.56
CC1=NC=CN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598291	0	38	-1.0	-50.04	317.75	3.74	-46.30
CC1=NC=CN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598291	1	38	-1.0	-50.05	317.81	3.75	-46.30
CC(C)CC(NC(=O)C1=NN(C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004598292	0	35	-1.0	-46.03	313.13	2.36	-43.67
CC(C)CC(NC(=O)C1=NN(C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004598292	1	35	-1.0	-46.04	313.07	2.35	-43.69
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CN=C1F	REAL250004598293	0	37	-1.0	-42.91	313.30	2.97	-39.94
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CN=C1F	REAL250004598293	1	37	-1.0	-42.89	313.24	2.95	-39.94
CC(C)CC(NC(=O)C1=CC(C=O)=CN1C)C1=N[N-]N=N1	REAL250004598295	0	38	-1.0	-51.89	320.69	3.36	-48.53
CC(C)CC(NC(=O)C1=CC(C=O)=CN1C)C1=NN=N[N-]1	REAL250004598295	1	38	-1.0	-51.87	320.75	3.37	-48.50
CC(C)CC(NC(=O)C1=CC=C(C=O)N1C)C1=N[N-]N=N1	REAL250004598296	0	38	-1.0	-45.43	319.16	3.14	-42.29
CC(C)CC(NC(=O)C1=CC=C(C=O)N1C)C1=NN=N[N-]1	REAL250004598296	1	38	-1.0	-45.46	319.22	3.16	-42.30
CC(C)CC(NC(=O)CCC1=NNN=C1)C1=N[N-]N=N1	REAL250004598297	0	37	-1.0	-46.23	311.31	0.70	-45.53
CC(C)CC(NC(=O)CCC1=NNN=C1)C1=NN=N[N-]1	REAL250004598297	1	37	-1.0	-46.26	311.37	0.72	-45.54
CC1=CNN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598298	0	35	-1.0	-49.45	292.72	1.34	-48.11
CC1=CNN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598298	1	35	-1.0	-49.47	292.78	1.37	-48.10
CC(C)CC(NC(=O)CCC1(O)CCC1)C1=N[N-]N=N1	REAL250004598299	0	42	-1.0	-46.86	333.70	1.53	-45.33
CC(C)CC(NC(=O)CCC1(O)CCC1)C1=NN=N[N-]1	REAL250004598299	1	42	-1.0	-46.85	333.76	1.56	-45.29
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CS1	REAL250004598300	0	35	-1.0	-46.18	300.96	3.89	-42.29
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CS1	REAL250004598300	1	35	-1.0	-46.16	301.02	3.91	-42.25
CC(C)CC(NC(=O)CC1(O)CCC1)C1=N[N-]N=N1	REAL250004598301	0	39	-1.0	-44.01	310.82	1.99	-42.02
CC(C)CC(NC(=O)CC1(O)CCC1)C1=NN=N[N-]1	REAL250004598301	1	39	-1.0	-44.05	310.87	2.01	-42.04
CC(C)CC(NC(=O)CCC1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004598302	0	40	-1.0	-47.70	334.38	1.80	-45.90
CC(C)CC(NC(=O)CCC1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004598302	1	40	-1.0	-47.73	334.44	1.82	-45.91
CC(C)CC(NC(=O)CC1CCC2CC21)C1=N[N-]N=N1	REAL250004598303	0	42	-1.0	-45.54	329.57	5.25	-40.29
CC(C)CC(NC(=O)CC1CCC2CC21)C1=NN=N[N-]1	REAL250004598303	1	42	-1.0	-45.55	329.63	5.26	-40.29
CC1=NN=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598304	0	36	-1.0	-48.45	317.37	1.62	-46.83
CC1=NN=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598304	1	36	-1.0	-48.46	317.42	1.64	-46.82
CC(C)CC(NC(=O)CCC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004598305	0	39	-1.0	-45.44	327.21	3.67	-41.77
CC(C)CC(NC(=O)CCC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004598305	1	39	-1.0	-45.47	327.15	3.65	-41.82
CC[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598306	0	38	-1.0	-46.07	309.36	4.11	-41.96
CC[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598306	1	38	-1.0	-46.08	309.42	4.12	-41.96
CC(C)CC(NC(=O)C1CC1(F)F)C1=N[N-]N=N1	REAL250004598307	0	32	-1.0	-43.15	279.63	2.78	-40.37
CC(C)CC(NC(=O)C1CC1(F)F)C1=NN=N[N-]1	REAL250004598307	1	32	-1.0	-43.11	279.68	2.80	-40.31
CC(C)CC(NC(=O)CCCC(=O)C1CC1)C1=N[N-]N=N1	REAL250004598308	0	43	-1.0	-54.66	353.42	4.91	-49.75
CC(C)CC(NC(=O)CCCC(=O)C1CC1)C1=NN=N[N-]1	REAL250004598308	1	43	-1.0	-54.68	353.48	4.93	-49.75
CCCCCC(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598309	0	44	-1.0	-45.19	351.86	2.91	-42.28
CCCCCC(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598309	1	44	-1.0	-45.15	351.91	2.92	-42.23
CC(C)CC(NC(=O)C1=CN=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004598310	0	38	-1.0	-49.57	317.86	3.44	-46.13
CC(C)CC(NC(=O)C1=CN=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004598310	1	38	-1.0	-49.55	317.92	3.46	-46.09
CC(C)CC(NC(=O)CSC(F)F)C1=N[N-]N=N1	REAL250004598311	0	32	-1.0	-45.15	292.28	2.73	-42.42
CC(C)CC(NC(=O)CSC(F)F)C1=NN=N[N-]1	REAL250004598311	1	32	-1.0	-45.14	292.34	2.75	-42.39
CC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)=C1CCC1	REAL250004598312	0	39	-1.0	-47.04	312.83	4.62	-42.42
CC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)=C1CCC1	REAL250004598312	1	39	-1.0	-47.09	312.89	4.63	-42.46
CC(C)CC(NC(=O)C#CC1=CC=CS1)C1=N[N-]N=N1	REAL250004598313	0	34	-1.0	-45.99	313.06	4.61	-41.38
CC(C)CC(NC(=O)C#CC1=CC=CS1)C1=NN=N[N-]1	REAL250004598313	1	34	-1.0	-45.98	313.12	4.63	-41.35
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=N[N-]N=N1	REAL250004598314	0	44	-1.0	-45.95	350.21	5.40	-40.55
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=NN=N[N-]1	REAL250004598314	1	44	-1.0	-45.92	350.27	5.42	-40.50
CC(C)CC(NC(=O)CCC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004598315	0	42	-1.0	-48.82	339.84	1.31	-47.51
CC(C)CC(NC(=O)CCC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004598315	1	42	-1.0	-48.87	339.90	1.32	-47.55
CC(C)CC(NC(=O)C1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004598316	0	47	-1.0	-45.38	348.29	5.28	-40.10
CC(C)CC(NC(=O)C1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004598316	1	47	-1.0	-45.38	348.35	5.30	-40.08
C=C[C@@H]1OCC[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598317	0	40	-1.0	-45.07	324.06	2.47	-42.60
C=C[C@@H]1OCC[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598317	1	40	-1.0	-45.03	324.12	2.49	-42.54
CC(C)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598318	0	43	-1.0	-45.38	338.13	4.72	-40.66
CC(C)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598318	1	43	-1.0	-45.40	338.19	4.74	-40.66
CCCC1CCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598319	0	47	-1.0	-46.58	362.80	5.81	-40.77
CCCC1CCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598319	1	47	-1.0	-46.57	362.86	5.83	-40.74
CC(C)CC(NC(=O)C1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL250004598320	0	35	-1.0	-46.39	310.33	2.29	-44.10
CC(C)CC(NC(=O)C1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL250004598320	1	35	-1.0	-46.37	310.27	2.28	-44.09
CCOC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598321	0	38	-1.0	-40.80	325.08	0.55	-40.25
CCOC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598321	1	38	-1.0	-40.76	325.02	0.54	-40.22
CC(C)CC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=N[N-]N=N1	REAL250004598322	0	42	-1.0	-51.23	339.49	3.88	-47.35
CC(C)CC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=NN=N[N-]1	REAL250004598322	1	42	-1.0	-51.26	339.55	3.90	-47.36
CC1=CN=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598323	0	37	-1.0	-44.83	302.98	3.09	-41.74
CC1=CN=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598323	1	37	-1.0	-44.78	302.93	3.07	-41.71
COCC#CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598324	0	34	-1.0	-47.91	296.88	1.55	-46.36
COCC#CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598324	1	34	-1.0	-47.86	296.94	1.56	-46.30
CC(C)CC(NC(=O)CC1CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004598325	0	38	-1.0	-58.90	315.89	0.99	-57.91
CC(C)CC(NC(=O)CC1CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004598325	1	38	-1.0	-58.88	315.95	1.01	-57.87
CC(C)CC(NC(=O)C1=CC=C(C(N)=O)N1)C1=N[N-]N=N1	REAL250004598326	0	37	-1.0	-47.88	315.95	-1.27	-49.15
CC(C)CC(NC(=O)C1=CC=C(C(N)=O)N1)C1=NN=N[N-]1	REAL250004598326	1	37	-1.0	-47.83	316.00	-1.26	-49.09
CC(C)CC(NC(=O)C1=C2C=CNC2=CC=N1)C1=NN=N[N-]1	REAL250004598327	0	38	-1.0	-53.54	317.92	2.54	-51.00
CC(C)CC(NC(=O)C1=C2C=CNC2=CC=N1)C1=N[N-]N=N1	REAL250004598327	1	38	-1.0	-53.60	317.86	2.52	-51.08
CC(C)CC(NC(=O)C1=CSC(C#N)=C1)C1=N[N-]N=N1	REAL250004598328	0	33	-1.0	-47.49	303.40	3.66	-43.83
CC(C)CC(NC(=O)C1=CSC(C#N)=C1)C1=NN=N[N-]1	REAL250004598328	1	33	-1.0	-47.49	303.46	3.68	-43.81
CC(C)CC(NC(=O)C1=NSC=C1)C1=NN=N[N-]1	REAL250004598329	0	31	-1.0	-46.45	278.00	1.70	-44.75
CC(C)CC(NC(=O)C1=NSC=C1)C1=N[N-]N=N1	REAL250004598329	1	31	-1.0	-46.44	277.94	1.68	-44.76
CCC1CCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598330	0	44	-1.0	-46.04	334.39	4.92	-41.12
CCC1CCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598330	1	44	-1.0	-45.99	334.45	4.94	-41.05
C#CCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598331	0	37	-1.0	-50.59	316.22	3.45	-47.14
C#CCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598331	1	37	-1.0	-50.63	316.27	3.47	-47.16
CCC(C)=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598332	0	38	-1.0	-45.29	307.11	3.94	-41.35
CCC(C)=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598332	1	38	-1.0	-45.30	307.17	3.96	-41.34
CC(C)CC(NC(=O)C=CC1CCOC1)C1=N[N-]N=N1	REAL250004598333	0	40	-1.0	-47.81	325.78	2.55	-45.26
CC(C)CC(NC(=O)C=CC1CCOC1)C1=NN=N[N-]1	REAL250004598333	1	40	-1.0	-47.80	325.84	2.56	-45.24
CC(C)CC(NC(=O)C1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL250004598334	0	39	-1.0	-52.18	320.96	2.79	-49.39
CC(C)CC(NC(=O)C1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL250004598334	1	39	-1.0	-52.12	321.01	2.81	-49.31
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C#N)N1	REAL250004598335	0	37	-1.0	-45.51	317.71	2.89	-42.62
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C#N)N1	REAL250004598335	1	37	-1.0	-45.51	317.76	2.90	-42.61
CC(C)CC(NC(=O)C1=C2CCCN2N=C1)C1=N[N-]N=N1	REAL250004598336	0	39	-1.0	-49.68	320.30	2.74	-46.94
CC(C)CC(NC(=O)C1=C2CCCN2N=C1)C1=NN=N[N-]1	REAL250004598336	1	39	-1.0	-49.69	320.35	2.76	-46.93
CC(C)CC(NC(=O)C=CC1=CNN=C1)C1=NN=N[N-]1	REAL250004598337	0	36	-1.0	-49.21	306.84	1.92	-47.29
CC(C)CC(NC(=O)C=CC1=CNN=C1)C1=N[N-]N=N1	REAL250004598337	1	36	-1.0	-49.19	306.78	1.90	-47.29
CC(C)CC(NC(=O)C1=CC(=O)NN=C1)C1=N[N-]N=N1	REAL250004598338	0	34	-1.0	-45.72	291.39	-0.26	-45.98
CC(C)CC(NC(=O)C1=CC(=O)NN=C1)C1=NN=N[N-]1	REAL250004598338	1	34	-1.0	-45.70	291.45	-0.25	-45.95
CC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598339	0	36	-1.0	-55.01	301.48	2.49	-52.52
CC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598339	1	36	-1.0	-55.01	301.54	2.51	-52.50
CC(C)CC(NC(=O)[C@@H]1CNC(=O)O1)C1=N[N-]N=N1	REAL250004598340	0	34	-1.0	-53.99	288.48	-1.04	-55.03
CC(C)CC(NC(=O)[C@@H]1CNC(=O)O1)C1=NN=N[N-]1	REAL250004598340	1	34	-1.0	-53.98	288.54	-1.02	-55.00
CC(C)CC(NC(=O)CCC[Si](C)(C)C)C1=N[N-]N=N1	REAL250004598341	0	46	-1.0	-46.97	371.03	7.29	-39.68
CC(C)CC(NC(=O)CCC[Si](C)(C)C)C1=NN=N[N-]1	REAL250004598341	1	46	-1.0	-46.96	371.09	7.30	-39.66
CC1=NN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598342	0	33	-1.0	-44.65	296.60	0.95	-43.70
CC1=NN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598342	1	33	-1.0	-44.67	296.66	0.96	-43.71
CC(C)CC(NC(=O)CSC1CC1)C1=N[N-]N=N1	REAL250004598343	0	36	-1.0	-46.69	311.22	3.98	-42.71
CC(C)CC(NC(=O)CSC1CC1)C1=NN=N[N-]1	REAL250004598343	1	36	-1.0	-46.70	311.28	4.00	-42.70
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=NN1C	REAL250004598344	0	41	-1.0	-51.82	336.39	3.03	-48.79
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=NN1C	REAL250004598344	1	41	-1.0	-51.82	336.45	3.05	-48.77
CC1=CC(C#N)=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598345	0	38	-1.0	-43.91	325.64	3.54	-40.37
CC1=CC(C#N)=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598345	1	38	-1.0	-43.94	325.59	3.53	-40.41
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C1CC1)C1=N[N-]N=N1	REAL250004598346	0	39	-1.0	-46.40	320.31	4.87	-41.53
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C1CC1)C1=NN=N[N-]1	REAL250004598346	1	39	-1.0	-46.38	320.36	4.88	-41.50
CC1=NN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004598347	0	38	-1.0	-56.13	318.30	2.87	-53.26
CC1=NN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004598347	1	38	-1.0	-56.07	318.36	2.89	-53.18
COC1CCCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598348	0	45	-1.0	-46.55	347.62	3.59	-42.96
COC1CCCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598348	1	45	-1.0	-46.58	347.68	3.60	-42.98
CNC(=O)NCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598349	0	40	-1.0	-55.59	331.73	-1.15	-56.74
CNC(=O)NCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598349	1	40	-1.0	-55.57	331.79	-1.13	-56.70
CCN1N=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598350	0	37	-1.0	-45.39	313.90	1.20	-44.19
CCN1N=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598350	1	37	-1.0	-45.42	313.84	1.19	-44.23
CCOC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598351	0	39	-1.0	-43.33	328.73	-0.61	-43.94
CCOC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598351	1	39	-1.0	-43.35	328.79	-0.60	-43.95
CC(C)CC(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004598352	0	42	-1.0	-46.46	338.45	5.89	-40.57
CC(C)CC(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004598352	1	42	-1.0	-46.43	338.51	5.90	-40.53
CCCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004598353	0	40	-1.0	-44.98	335.08	3.86	-41.12
CCCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004598353	1	40	-1.0	-44.98	335.14	3.87	-41.11
CCC1CC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598354	0	38	-1.0	-46.09	303.98	4.09	-42.00
CCC1CC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598354	1	38	-1.0	-46.08	304.04	4.11	-41.97
CC(C)CC(NC(=O)CC1=NC=CN1)C1=N[N-]N=N1	REAL250004598355	0	35	-1.0	-56.59	294.73	1.57	-55.02
CC(C)CC(NC(=O)CC1=NC=CN1)C1=NN=N[N-]1	REAL250004598355	1	35	-1.0	-56.57	294.78	1.58	-54.99
CC(C)CC(NC(=O)CCC1=NOC=C1)C1=N[N-]N=N1	REAL250004598356	0	37	-1.0	-48.57	312.54	2.95	-45.62
CC(C)CC(NC(=O)CCC1=NOC=C1)C1=NN=N[N-]1	REAL250004598356	1	37	-1.0	-48.52	312.59	2.96	-45.56
CC(C)CC(NC(=O)C(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004598357	0	37	-1.0	-51.28	303.16	3.33	-47.95
CC(C)CC(NC(=O)C(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004598357	1	37	-1.0	-51.26	303.22	3.35	-47.91
CCN1N=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598358	0	37	-1.0	-43.43	303.43	1.22	-42.21
CCN1N=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598358	1	37	-1.0	-43.46	303.36	1.21	-42.25
CC(C)CC(NC(=O)CCCC#N)C1=N[N-]N=N1	REAL250004598359	0	35	-1.0	-52.33	298.42	3.18	-49.15
CC(C)CC(NC(=O)CCCC#N)C1=NN=N[N-]1	REAL250004598359	1	35	-1.0	-52.32	298.48	3.20	-49.12
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004598360	0	38	-1.0	-47.25	313.46	2.17	-45.08
CC1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004598360	1	38	-1.0	-47.24	313.52	2.19	-45.05
CCN1N=C(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598361	0	40	-1.0	-45.37	332.48	1.73	-43.64
CCN1N=C(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598361	1	40	-1.0	-45.37	332.53	1.74	-43.63
CC(C)CC(NC(=O)C1=CC(C=O)=CN1)C1=N[N-]N=N1	REAL250004598362	0	35	-1.0	-47.16	302.75	1.75	-45.41
CC(C)CC(NC(=O)C1=CC(C=O)=CN1)C1=NN=N[N-]1	REAL250004598362	1	35	-1.0	-47.20	302.81	1.77	-45.43
CC(C)CC(NC(=O)CC1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004598363	0	38	-1.0	-50.28	322.05	0.22	-50.06
CC(C)CC(NC(=O)CC1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004598363	1	38	-1.0	-50.31	322.11	0.23	-50.08
COC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004598364	0	37	-1.0	-50.31	314.08	0.98	-49.33
COC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004598364	1	37	-1.0	-50.31	314.02	0.97	-49.34
CC(C)CC(NC(=O)C1CC2CCC1CC2)C1=N[N-]N=N1	REAL250004598365	0	45	-1.0	-47.83	333.09	4.79	-43.04
CC(C)CC(NC(=O)C1CC2CCC1CC2)C1=NN=N[N-]1	REAL250004598365	1	45	-1.0	-47.84	333.14	4.81	-43.03
COCN1C=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598366	0	39	-1.0	-48.25	329.44	0.66	-47.59
COCN1C=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598366	1	39	-1.0	-48.23	329.38	0.65	-47.58
CC(C)CC(NC(=O)CC1(C#N)CC1)C1=N[N-]N=N1	REAL250004598367	0	36	-1.0	-58.97	304.05	3.53	-55.44
CC(C)CC(NC(=O)CC1(C#N)CC1)C1=NN=N[N-]1	REAL250004598367	1	36	-1.0	-58.95	304.11	3.54	-55.41
CC1=CSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598368	0	35	-1.0	-46.06	305.27	3.84	-42.22
CC1=CSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598368	1	35	-1.0	-46.06	305.33	3.85	-42.21
CCCC(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598369	0	41	-1.0	-46.26	331.14	3.57	-42.69
CCCC(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598369	1	41	-1.0	-46.25	331.20	3.58	-42.67
CC(C)CC(NC(=O)C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL250004598370	0	34	-1.0	-49.02	301.28	3.01	-46.01
CC(C)CC(NC(=O)C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL250004598370	1	34	-1.0	-49.07	301.22	3.00	-46.07
CC(C)CC(NC(=O)C1=C(C2CC2)OC=N1)C1=NN=N[N-]1	REAL250004598371	0	38	-1.0	-47.80	320.34	1.17	-46.63
CC(C)CC(NC(=O)C1=C(C2CC2)OC=N1)C1=N[N-]N=N1	REAL250004598371	1	38	-1.0	-47.78	320.28	1.15	-46.63
CC(C)CC(NC(=O)C1=C(F)C=CS1)C1=N[N-]N=N1	REAL250004598372	0	32	-1.0	-50.53	288.73	3.24	-47.29
CC(C)CC(NC(=O)C1=C(F)C=CS1)C1=NN=N[N-]1	REAL250004598372	1	32	-1.0	-50.49	288.79	3.26	-47.23
COCC(C)C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598373	0	44	-1.0	-47.44	342.41	2.83	-44.61
COCC(C)C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598373	1	44	-1.0	-47.45	342.47	2.85	-44.60
CCC[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598374	0	41	-1.0	-45.91	330.96	4.86	-41.05
CCC[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598374	1	41	-1.0	-45.88	331.02	4.87	-41.01
CC(C)CC(NC(=O)CCC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004598375	0	41	-1.0	-49.99	340.34	3.33	-46.66
CC(C)CC(NC(=O)CCC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004598375	1	41	-1.0	-49.96	340.40	3.35	-46.61
COC1CCCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598376	0	45	-1.0	-49.06	346.31	4.56	-44.50
COC1CCCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598376	1	45	-1.0	-49.06	346.36	4.57	-44.49
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL250004598377	0	37	-1.0	-46.05	312.07	0.35	-45.70
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL250004598377	1	37	-1.0	-46.00	312.13	0.37	-45.63
CCC(O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598378	0	38	-1.0	-49.04	308.24	1.02	-48.02
CCC(O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598378	1	38	-1.0	-49.06	308.30	1.04	-48.02
CC(C)CC(NC(=O)C1=CN(C(C)C)N=N1)C1=NN=N[N-]1	REAL250004598379	0	40	-1.0	-46.11	332.93	1.90	-44.21
CC(C)CC(NC(=O)C1=CN(C(C)C)N=N1)C1=N[N-]N=N1	REAL250004598379	1	40	-1.0	-46.13	332.88	1.89	-44.24
CC(C)CC(NC(=O)CCCC1CC1)C1=N[N-]N=N1	REAL250004598380	0	41	-1.0	-45.55	330.77	4.99	-40.56
CC(C)CC(NC(=O)CCCC1CC1)C1=NN=N[N-]1	REAL250004598380	1	41	-1.0	-45.58	330.83	5.00	-40.58
CC(C)CC(NC(=O)CCC1=NC=CC=N1)C1=N[N-]N=N1	REAL250004598381	0	39	-1.0	-49.35	327.49	2.84	-46.51
CC(C)CC(NC(=O)CCC1=NC=CC=N1)C1=NN=N[N-]1	REAL250004598381	1	39	-1.0	-49.36	327.55	2.85	-46.51
CC(C)CC(NC(=O)CCC1=CN=CS1)C1=NN=N[N-]1	REAL250004598382	0	37	-1.0	-45.16	322.33	2.88	-42.28
CC(C)CC(NC(=O)CCC1=CN=CS1)C1=N[N-]N=N1	REAL250004598382	1	37	-1.0	-45.12	322.28	2.87	-42.25
CC(C)CC(NC(=O)CC(C)(C)C1CC1)C1=N[N-]N=N1	REAL250004598383	0	44	-1.0	-43.95	333.06	5.02	-38.93
CC(C)CC(NC(=O)CC(C)(C)C1CC1)C1=NN=N[N-]1	REAL250004598383	1	44	-1.0	-43.92	333.11	5.03	-38.89
CCC1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598384	0	40	-1.0	-44.38	331.91	1.02	-43.36
CCC1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598384	1	40	-1.0	-44.45	331.96	1.04	-43.41
CC(C)CC(NC(=O)C1=NN(C)N=N1)C1=NN=N[N-]1	REAL250004598385	0	33	-1.0	-46.72	286.98	-0.06	-46.78
CC(C)CC(NC(=O)C1=NN(C)N=N1)C1=N[N-]N=N1	REAL250004598385	1	33	-1.0	-46.73	286.92	-0.08	-46.81
CC(C)CC(NC(=O)C1=NOC(CO)=C1)C1=N[N-]N=N1	REAL250004598386	0	35	-1.0	-48.27	303.55	-1.09	-49.36
CC(C)CC(NC(=O)C1=NOC(CO)=C1)C1=NN=N[N-]1	REAL250004598386	1	35	-1.0	-48.28	303.61	-1.08	-49.36
CC(C)CC(NC(=O)CC1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004598387	0	37	-1.0	-49.77	317.48	3.03	-46.74
CC(C)CC(NC(=O)CC1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004598387	1	37	-1.0	-49.76	317.54	3.05	-46.71
CC1=CC=C(O)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598388	0	39	-1.0	-47.18	318.58	1.98	-45.20
CC1=CC=C(O)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598388	1	39	-1.0	-47.22	318.63	1.99	-45.23
COCC1=NOC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598389	0	38	-1.0	-47.92	322.59	1.25	-46.67
COCC1=NOC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598389	1	38	-1.0	-47.90	322.65	1.27	-46.63
COC(=O)CC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598390	0	43	-1.0	-52.46	345.70	3.88	-48.58
COC(=O)CC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598390	1	43	-1.0	-52.51	345.76	3.89	-48.62
CC(C)CC(NC(=O)C1=C(C2CC2)N=CO1)C1=N[N-]N=N1	REAL250004598391	0	38	-1.0	-46.43	320.11	1.16	-45.27
CC(C)CC(NC(=O)C1=C(C2CC2)N=CO1)C1=NN=N[N-]1	REAL250004598391	1	38	-1.0	-46.39	320.16	1.16	-45.23
CC(C)CC(NC(=O)C1(F)CCCCC1)C1=N[N-]N=N1	REAL250004598392	0	41	-1.0	-45.44	322.61	4.36	-41.08
CC(C)CC(NC(=O)C1(F)CCCCC1)C1=NN=N[N-]1	REAL250004598392	1	41	-1.0	-45.41	322.66	4.37	-41.04
CC(C)CC(NC(=O)C1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL250004598393	0	35	-1.0	-47.37	309.69	2.80	-44.57
CC(C)CC(NC(=O)C1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL250004598393	1	35	-1.0	-47.37	309.63	2.78	-44.59
CC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004598394	0	38	-1.0	-48.11	324.16	2.37	-45.74
CC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004598394	1	38	-1.0	-48.07	324.21	2.38	-45.69
CC(C)CC(NC(=O)CC1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004598395	0	42	-1.0	-55.52	333.89	1.49	-54.03
CC(C)CC(NC(=O)CC1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004598395	1	42	-1.0	-55.48	333.94	1.51	-53.97
CC(C)CC(NC(=O)C1CCCSC1)C1=N[N-]N=N1	REAL250004598396	0	39	-1.0	-43.96	317.03	4.14	-39.82
CC(C)CC(NC(=O)C1CCCSC1)C1=NN=N[N-]1	REAL250004598396	1	39	-1.0	-43.98	317.09	4.16	-39.82
CC(C)CC(NC(=O)C1=NN2CCOC2=C1)C1=NN=N[N-]1	REAL250004598397	0	37	-1.0	-49.39	311.95	-0.09	-49.48
CC(C)CC(NC(=O)C1=NN2CCOC2=C1)C1=N[N-]N=N1	REAL250004598397	1	37	-1.0	-49.39	311.89	-0.10	-49.49
CC(C)CC(NC(=O)CC1CC1C)C1=N[N-]N=N1	REAL250004598398	0	38	-1.0	-46.00	308.42	4.07	-41.93
CC(C)CC(NC(=O)CC1CC1C)C1=NN=N[N-]1	REAL250004598398	1	38	-1.0	-46.02	308.48	4.08	-41.94
C#CC1=CC=CC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598399	0	40	-1.0	-48.02	341.34	5.93	-42.09
C#CC1=CC=CC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598399	1	40	-1.0	-48.01	341.39	5.94	-42.07
CC(C)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004598400	0	37	-1.0	-58.18	311.74	-2.37	-60.55
CC(C)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004598400	1	37	-1.0	-58.14	311.79	-2.35	-60.49
C=CC(=O)N(CC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598401	0	42	-1.0	-49.90	341.92	3.33	-46.57
C=CC(=O)N(CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598401	1	42	-1.0	-49.91	341.97	3.35	-46.56
CC(C)CC(NC(=O)C1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004598402	0	34	-1.0	-47.20	292.58	0.52	-46.68
CC(C)CC(NC(=O)C1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004598402	1	34	-1.0	-47.20	292.52	0.50	-46.70
CC1=NSC(C)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598403	0	37	-1.0	-44.58	321.61	2.97	-41.61
CC1=NSC(C)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598403	1	37	-1.0	-44.57	321.67	2.99	-41.58
CC(C)CC(NC(=O)C1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL250004598404	0	38	-1.0	-46.40	324.70	2.93	-43.47
CC(C)CC(NC(=O)C1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL250004598404	1	38	-1.0	-46.43	324.64	2.92	-43.51
CC(C)CC(NC(=O)C1(F)CCOC1)C1=N[N-]N=N1	REAL250004598405	0	36	-1.0	-43.79	296.25	1.20	-42.59
CC(C)CC(NC(=O)C1(F)CCOC1)C1=NN=N[N-]1	REAL250004598405	1	36	-1.0	-43.76	296.31	1.22	-42.54
CC(C)CC(NC(=O)C1(CCF)CC1)C1=N[N-]N=N1	REAL250004598406	0	38	-1.0	-45.41	315.81	3.94	-41.47
CC(C)CC(NC(=O)C1(CCF)CC1)C1=NN=N[N-]1	REAL250004598406	1	38	-1.0	-45.41	315.87	3.95	-41.46
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CN1C	REAL250004598407	0	42	-1.0	-51.02	338.21	4.94	-46.08
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CN1C	REAL250004598407	1	42	-1.0	-51.00	338.27	4.96	-46.04
CC(C)CC(NC(=O)CN1C=CN=C1)C1=N[N-]N=N1	REAL250004598408	0	35	-1.0	-50.35	296.97	3.91	-46.44
CC(C)CC(NC(=O)CN1C=CN=C1)C1=NN=N[N-]1	REAL250004598408	1	35	-1.0	-50.35	297.03	3.92	-46.43
CC(C)CC(NC(=O)CN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004598409	0	35	-1.0	-53.05	313.52	2.81	-50.24
CC(C)CC(NC(=O)CN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004598409	1	35	-1.0	-53.06	313.46	2.80	-50.26
CC1=NN=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598410	0	36	-1.0	-51.44	308.23	-2.24	-53.68
CC1=NN=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598410	1	36	-1.0	-51.42	308.29	-2.23	-53.65
CC(C)CC(NC(=O)CC1(C)CCCC1)C1=N[N-]N=N1	REAL250004598411	0	44	-1.0	-44.69	333.82	4.94	-39.75
CC(C)CC(NC(=O)CC1(C)CCCC1)C1=NN=N[N-]1	REAL250004598411	1	44	-1.0	-44.74	333.87	4.96	-39.78
CC(C)CC(NC(=O)CCCCCC#N)C1=N[N-]N=N1	REAL250004598412	0	41	-1.0	-52.09	341.42	4.75	-47.34
CC(C)CC(NC(=O)CCCCCC#N)C1=NN=N[N-]1	REAL250004598412	1	41	-1.0	-52.10	341.48	4.76	-47.34
CCOC1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598413	0	42	-1.0	-44.70	337.72	3.06	-41.64
CCOC1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598413	1	42	-1.0	-44.74	337.77	3.07	-41.67
CC(C)CC(NC(=O)C1CC(=O)N1)C1=N[N-]N=N1	REAL250004598414	0	33	-1.0	-49.35	280.49	-1.57	-50.92
CC(C)CC(NC(=O)C1CC(=O)N1)C1=NN=N[N-]1	REAL250004598414	1	33	-1.0	-49.32	280.55	-1.55	-50.87
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC(=O)N1	REAL250004598415	0	36	-1.0	-44.40	301.23	-0.49	-44.89
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC(=O)N1	REAL250004598415	1	36	-1.0	-44.42	301.28	-0.48	-44.90
CC1=NN=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004598416	0	37	-1.0	-61.06	311.33	2.09	-58.97
CC1=NN=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004598416	1	37	-1.0	-61.07	311.39	2.11	-58.96
CC(C)CC(NC(=O)C1CCNC1=O)C1=N[N-]N=N1	REAL250004598417	0	36	-1.0	-52.44	295.08	-0.38	-52.82
CC(C)CC(NC(=O)C1CCNC1=O)C1=NN=N[N-]1	REAL250004598417	1	36	-1.0	-52.43	295.14	-0.37	-52.80
CC(C)CC(NC(=O)C1=CC(C(F)F)=NN1)C1=N[N-]N=N1	REAL250004598418	0	35	-1.0	-44.82	308.00	1.50	-43.32
CC(C)CC(NC(=O)C1=CC(C(F)F)=NN1)C1=NN=N[N-]1	REAL250004598418	1	35	-1.0	-44.81	308.06	1.51	-43.30
CC(C)CC(NC(=O)CN(C)C1CCC1)C1=NN=N[N-]1	REAL250004598419	1	43	-1.0	-45.20	336.52	2.39	-42.81
CC(C)CC(NC(=O)C=CC1=NC=CN1)C1=N[N-]N=N1	REAL250004598420	0	36	-1.0	-48.18	308.49	2.31	-45.87
CC(C)CC(NC(=O)C=CC1=NC=CN1)C1=NN=N[N-]1	REAL250004598420	1	36	-1.0	-48.18	308.55	2.32	-45.86
CC(C)CC(NC(=O)C(C)CC1=CNC=N1)C1=N[N-]N=N1	REAL250004598421	0	41	-1.0	-50.63	331.07	4.27	-46.36
CC(C)CC(NC(=O)C(C)CC1=CNC=N1)C1=NN=N[N-]1	REAL250004598421	1	41	-1.0	-50.67	331.12	4.28	-46.39
CC(C)CC(NC(=O)C(C)CC1=CN=CN1)C1=N[N-]N=N1	REAL250004598421	1	41	-1.0	-47.58	332.31	3.56	-44.02
CC(C)CC(NC(=O)CC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004598422	0	42	-1.0	-49.27	332.93	1.16	-48.11
CC(C)CC(NC(=O)CC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004598422	1	42	-1.0	-49.26	332.98	1.18	-48.08
CC(C)CC(NC(=O)COCC1CCCC1)C1=N[N-]N=N1	REAL250004598423	0	45	-1.0	-48.53	356.01	4.96	-43.57
CC(C)CC(NC(=O)COCC1CCCC1)C1=NN=N[N-]1	REAL250004598423	1	45	-1.0	-48.58	356.07	4.98	-43.60
CC(C)CC(NC(=O)CC1CC2CCC1O2)C1=N[N-]N=N1	REAL250004598424	0	43	-1.0	-44.23	334.48	3.05	-41.18
CC(C)CC(NC(=O)CC1CC2CCC1O2)C1=NN=N[N-]1	REAL250004598424	1	43	-1.0	-44.24	334.54	3.07	-41.17
CC(C)CC(NC(=O)C1=CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004598425	0	45	-1.0	-45.99	343.49	5.36	-40.63
CC(C)CC(NC(=O)C1=CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004598425	1	45	-1.0	-45.97	343.54	5.37	-40.60
CC(C)CC(NC(=O)C1=CCC(C)CC1)C1=N[N-]N=N1	REAL250004598426	0	42	-1.0	-46.16	328.36	5.02	-41.14
CC(C)CC(NC(=O)C1=CCC(C)CC1)C1=NN=N[N-]1	REAL250004598426	1	42	-1.0	-46.22	328.41	5.03	-41.19
CC(C)CC(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=N[N-]N=N1	REAL250004598427	0	40	-1.0	-50.07	313.44	1.83	-48.24
CC(C)CC(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=NN=N[N-]1	REAL250004598427	1	40	-1.0	-50.10	313.50	1.83	-48.27
CC(C)CCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598428	0	46	-1.0	-45.36	359.63	5.50	-39.86
CC(C)CCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598428	1	46	-1.0	-45.38	359.69	5.52	-39.86
CC(C)CC(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=N[N-]N=N1	REAL250004598429	0	41	-1.0	-58.14	321.19	5.23	-52.91
CC(C)CC(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=NN=N[N-]1	REAL250004598429	1	41	-1.0	-58.17	321.25	5.26	-52.91
CC(C)CC(NC(=O)CC1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004598430	0	42	-1.0	-45.24	335.73	2.42	-42.82
CC(C)CC(NC(=O)CC1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004598430	1	42	-1.0	-45.26	335.79	2.44	-42.82
CC(C)CC(NC(=O)CC1CC(=O)N1)C1=N[N-]N=N1	REAL250004598431	0	36	-1.0	-46.87	301.36	-1.05	-47.92
CC(C)CC(NC(=O)CC1CC(=O)N1)C1=NN=N[N-]1	REAL250004598431	1	36	-1.0	-46.88	301.42	-1.04	-47.92
CC(C)CC(NC(=O)C1CCOC(=O)N1)C1=N[N-]N=N1	REAL250004598432	0	37	-1.0	-51.20	306.82	-0.40	-51.60
CC(C)CC(NC(=O)C1CCOC(=O)N1)C1=NN=N[N-]1	REAL250004598432	1	37	-1.0	-51.24	306.88	-0.39	-51.63
CC(C)CC(NC(=O)C(C)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004598433	0	42	-1.0	-49.43	326.85	1.18	-48.25
CC(C)CC(NC(=O)C(C)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004598433	1	42	-1.0	-49.44	326.91	1.19	-48.25
CC(C)CC(NC(=O)C1=CSC(CO)=N1)C1=N[N-]N=N1	REAL250004598434	0	35	-1.0	-49.06	312.10	-1.47	-50.53
CC(C)CC(NC(=O)C1=CSC(CO)=N1)C1=NN=N[N-]1	REAL250004598434	1	35	-1.0	-49.07	312.15	-1.46	-50.53
CC(C)CC(NC(=O)CCC1=CNN=C1)C1=NN=N[N-]1	REAL250004598435	0	38	-1.0	-46.25	317.38	2.17	-44.08
CC(C)CC(NC(=O)CCC1=CNN=C1)C1=N[N-]N=N1	REAL250004598435	1	38	-1.0	-46.24	317.33	2.16	-44.08
CCC1=NN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598436	0	36	-1.0	-44.05	318.13	1.66	-42.39
CCC1=NN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598436	1	36	-1.0	-44.07	318.18	1.68	-42.39
CC(C)CC(NC(=O)C(C)C1CCC1)C1=N[N-]N=N1	REAL250004598437	0	41	-1.0	-46.04	321.97	4.53	-41.51
CC(C)CC(NC(=O)C(C)C1CCC1)C1=NN=N[N-]1	REAL250004598437	1	41	-1.0	-46.06	322.03	4.55	-41.51
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC=C1C#N	REAL250004598438	0	38	-1.0	-43.66	328.95	3.37	-40.29
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC=C1C#N	REAL250004598438	1	38	-1.0	-43.67	329.01	3.38	-40.29
CCC(CC(F)F)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598439	0	40	-1.0	-48.31	320.09	3.94	-44.37
CCC(CC(F)F)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598439	1	40	-1.0	-48.27	320.15	3.96	-44.31
CCC(C)(C)OCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598440	0	44	-1.0	-48.58	341.80	3.95	-44.63
CCC(C)(C)OCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598440	1	44	-1.0	-48.61	341.86	3.97	-44.64
CC(C)CC(NC(=O)C1CC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004598441	0	47	-1.0	-45.77	355.98	5.41	-40.36
CC(C)CC(NC(=O)C1CC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004598441	1	47	-1.0	-45.81	356.04	5.42	-40.39
CC(C)CC(NC(=O)C#CC(C)(C)C)C1=N[N-]N=N1	REAL250004598442	0	39	-1.0	-46.33	325.60	4.47	-41.86
CC(C)CC(NC(=O)C#CC(C)(C)C)C1=NN=N[N-]1	REAL250004598442	1	39	-1.0	-46.33	325.66	4.48	-41.85
CC1=NON=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598443	0	36	-1.0	-54.54	308.34	1.36	-53.18
CC1=NON=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598443	1	36	-1.0	-54.52	308.40	1.38	-53.14
CC1=CN(C)N=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598444	0	38	-1.0	-50.81	315.58	2.69	-48.12
CC1=CN(C)N=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598444	1	38	-1.0	-50.84	315.52	2.67	-48.17
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598445	0	42	-1.0	-47.67	343.99	6.23	-41.44
CC(C)CC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598445	1	42	-1.0	-47.66	344.05	6.24	-41.42
CC(C)CC(NC(=O)C1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004598446	0	34	-1.0	-43.32	303.26	2.94	-40.38
CC(C)CC(NC(=O)C1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004598446	1	34	-1.0	-43.29	303.21	2.92	-40.37
CC(C)CC(NC(=O)C(O)C1CCC1)C1=N[N-]N=N1	REAL250004598447	0	39	-1.0	-45.33	310.50	2.12	-43.21
CC(C)CC(NC(=O)C(O)C1CCC1)C1=NN=N[N-]1	REAL250004598447	1	39	-1.0	-45.26	310.56	2.11	-43.15
CCC(CC(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598448	0	46	-1.0	-45.73	349.56	5.20	-40.53
CCC(CC(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598448	1	46	-1.0	-45.74	349.62	5.21	-40.53
CC(C)CC(NC(=O)C1=CC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004598449	0	38	-1.0	-65.95	321.44	3.45	-62.50
CC(C)CC(NC(=O)C1=CC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004598449	1	38	-1.0	-65.96	321.50	3.47	-62.49
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N(C)N=C1	REAL250004598450	0	38	-1.0	-44.96	318.42	2.47	-42.49
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N(C)N=C1	REAL250004598450	1	38	-1.0	-44.97	318.36	2.45	-42.52
COCC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598451	0	44	-1.0	-45.85	340.91	2.95	-42.90
COCC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598451	1	44	-1.0	-45.91	340.96	2.97	-42.94
CC(C)CC(NC(=O)C1CCC(F)CC1)C1=N[N-]N=N1	REAL250004598452	0	41	-1.0	-47.32	322.10	4.45	-42.87
CC(C)CC(NC(=O)C1CCC(F)CC1)C1=NN=N[N-]1	REAL250004598452	1	41	-1.0	-47.34	322.16	4.46	-42.88
CCC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598453	0	40	-1.0	-48.24	330.93	3.89	-44.35
CCC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598453	1	40	-1.0	-48.25	330.99	3.90	-44.35
CC(C)CC(NC(=O)CC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004598454	0	38	-1.0	-47.05	317.14	4.14	-42.91
CC(C)CC(NC(=O)CC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004598454	1	38	-1.0	-47.01	317.20	4.15	-42.86
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1C	REAL250004598455	0	40	-1.0	-48.45	327.32	3.63	-44.82
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1C	REAL250004598455	1	40	-1.0	-48.46	327.38	3.66	-44.80
COC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=NN1C	REAL250004598456	0	39	-1.0	-49.95	329.01	1.19	-48.76
COC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=NN1C	REAL250004598456	1	39	-1.0	-49.95	328.95	1.17	-48.78
CC(C)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004598457	0	34	-1.0	-46.76	295.58	2.98	-43.78
CC(C)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004598457	1	34	-1.0	-46.80	295.64	2.99	-43.81
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL250004598458	0	36	-1.0	-47.07	305.37	1.95	-45.12
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL250004598458	1	36	-1.0	-47.08	305.43	1.96	-45.12
CCCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CN1	REAL250004598459	0	42	-1.0	-49.88	339.89	4.12	-45.76
CCCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CN1	REAL250004598459	1	42	-1.0	-49.92	339.95	4.13	-45.79
COC(CC(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598460	0	44	-1.0	-46.11	348.42	4.08	-42.03
COC(CC(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598460	1	44	-1.0	-46.07	348.48	4.10	-41.97
CC(C)CC(NC(=O)C1CCC2CC2C1)C1=N[N-]N=N1	REAL250004598461	0	42	-1.0	-45.20	324.60	5.08	-40.12
CC(C)CC(NC(=O)C1CCC2CC2C1)C1=NN=N[N-]1	REAL250004598461	1	42	-1.0	-45.19	324.66	5.10	-40.09
CC1=C(F)C=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598462	0	38	-1.0	-45.91	312.72	4.87	-41.04
CC1=C(F)C=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598462	1	38	-1.0	-45.90	312.77	4.88	-41.02
CC(C)CC(NC(=O)C=CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004598463	0	39	-1.0	-48.97	326.56	4.54	-44.43
CC(C)CC(NC(=O)C=CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004598463	1	39	-1.0	-48.98	326.62	4.55	-44.43
CC(C)CC(NC(=O)C1CCC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004598464	0	42	-1.0	-46.01	333.83	2.44	-43.57
CC(C)CC(NC(=O)C1CCC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004598464	1	42	-1.0	-46.05	333.89	2.45	-43.60
CC(C)CC(NC(=O)CC(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004598465	0	41	-1.0	-43.65	333.12	3.28	-40.37
CC(C)CC(NC(=O)CC(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004598465	1	41	-1.0	-43.65	333.06	3.27	-40.38
C=CC(=O)N(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598466	0	39	-1.0	-57.24	325.30	2.43	-54.81
C=CC(=O)N(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598466	1	39	-1.0	-57.27	325.36	2.45	-54.82
CC(C)CC(NC(=O)CC1=NNC=N1)C1=N[N-]N=N1	REAL250004598467	0	34	-1.0	-52.90	290.73	1.69	-51.21
CC(C)CC(NC(=O)CC1=NNC=N1)C1=NN=N[N-]1	REAL250004598467	1	34	-1.0	-52.92	290.79	1.71	-51.21
COC1=NSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598468	0	35	-1.0	-41.98	312.11	0.03	-41.95
COC1=NSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598468	1	35	-1.0	-42.00	312.05	0.02	-41.98
CC(C)CC(NC(=O)C(F)=C1CCC1)C1=N[N-]N=N1	REAL250004598469	0	36	-1.0	-43.09	300.85	3.97	-39.12
CC(C)CC(NC(=O)C(F)=C1CCC1)C1=NN=N[N-]1	REAL250004598469	1	36	-1.0	-43.09	300.91	3.99	-39.10
CNC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004598470	0	38	-1.0	-47.99	318.50	0.23	-47.76
CNC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004598470	1	38	-1.0	-48.00	318.44	0.22	-47.78
CC(C)CC(NC(=O)C1CCCCC1C)C1=N[N-]N=N1	REAL250004598471	0	44	-1.0	-44.94	326.95	4.83	-40.11
CC(C)CC(NC(=O)C1CCCCC1C)C1=NN=N[N-]1	REAL250004598471	1	44	-1.0	-44.91	327.01	4.84	-40.07
CC(C)CC(NC(=O)CN1C=NC(N)=N1)C1=NN=N[N-]1	REAL250004598472	0	36	-1.0	-58.03	306.60	3.29	-54.74
CC(C)CC(NC(=O)CN1C=NC(N)=N1)C1=N[N-]N=N1	REAL250004598472	1	36	-1.0	-58.07	306.54	3.27	-54.80
CC(C)CC(NC(=O)C1CCCC(F)C1)C1=N[N-]N=N1	REAL250004598473	0	41	-1.0	-46.81	323.60	4.53	-42.28
CC(C)CC(NC(=O)C1CCCC(F)C1)C1=NN=N[N-]1	REAL250004598473	1	41	-1.0	-46.81	323.66	4.54	-42.27
CC(C)CC(NC(=O)C1CN(C)C(=O)N1)C1=N[N-]N=N1	REAL250004598474	0	38	-1.0	-52.02	314.39	-0.42	-52.44
CC(C)CC(NC(=O)C1CN(C)C(=O)N1)C1=NN=N[N-]1	REAL250004598474	1	38	-1.0	-52.03	314.45	-0.41	-52.44
CC1=C(C)CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598475	0	45	-1.0	-45.66	347.60	5.52	-40.14
CC1=C(C)CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598475	1	45	-1.0	-45.68	347.66	5.53	-40.15
CC(C)CC(NC(=O)C1=CN2CCCC2=N1)C1=N[N-]N=N1	REAL250004598476	0	39	-1.0	-52.52	321.01	3.77	-48.75
CC(C)CC(NC(=O)C1=CN2CCCC2=N1)C1=NN=N[N-]1	REAL250004598476	1	39	-1.0	-52.52	321.06	3.79	-48.73
CON1CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598477	0	44	-1.0	-45.76	340.79	1.58	-44.18
CON1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598477	1	44	-1.0	-45.75	340.85	1.60	-44.15
CC(C)CC(NC(=O)C(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004598479	0	40	-1.0	-48.11	327.28	3.64	-44.47
CC(C)CC(NC(=O)C(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004598479	1	40	-1.0	-48.10	327.33	3.65	-44.45
CC(C)CC(NC(=O)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004598480	0	42	-1.0	-46.46	331.70	4.98	-41.48
CC(C)CC(NC(=O)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004598480	1	42	-1.0	-46.45	331.76	5.00	-41.45
COC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598481	0	38	-1.0	-49.24	318.51	1.79	-47.45
COC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598481	1	38	-1.0	-49.26	318.45	1.78	-47.48
CCN1C=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598482	0	38	-1.0	-50.91	318.44	2.85	-48.06
CCN1C=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598482	1	38	-1.0	-50.93	318.38	2.84	-48.09
CC(C)CC(NC(=O)C=CC1CCCC1)C1=N[N-]N=N1	REAL250004598483	0	42	-1.0	-45.69	334.96	5.18	-40.51
CC(C)CC(NC(=O)C=CC1CCCC1)C1=NN=N[N-]1	REAL250004598483	1	42	-1.0	-45.71	335.02	5.21	-40.50
CC(C)CC(NC(=O)C1CCC(=O)C1)C1=N[N-]N=N1	REAL250004598484	0	37	-1.0	-46.28	303.17	2.85	-43.43
CC(C)CC(NC(=O)C1CCC(=O)C1)C1=NN=N[N-]1	REAL250004598484	1	37	-1.0	-46.27	303.23	2.87	-43.40
COCC1(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598486	0	42	-1.0	-46.47	339.82	2.94	-43.53
COCC1(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598486	1	42	-1.0	-46.51	339.88	2.95	-43.56
CC(C)CC(NC(=O)CC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004598487	0	38	-1.0	-55.60	318.15	2.60	-53.00
CC(C)CC(NC(=O)CC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004598487	1	38	-1.0	-55.63	318.21	2.62	-53.01
C=CCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL250004598488	0	38	-1.0	-46.82	326.99	1.91	-44.91
C=CCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL250004598488	1	38	-1.0	-46.83	326.94	1.89	-44.94
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=N[N-]N=N1	REAL250004598489	0	47	-1.0	-46.03	366.07	5.80	-40.23
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=NN=N[N-]1	REAL250004598489	1	47	-1.0	-46.04	366.13	5.82	-40.22
CC1=NOC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598490	0	34	-1.0	-45.81	288.97	2.22	-43.59
CC1=NOC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598490	1	34	-1.0	-45.82	289.03	2.23	-43.59
CC(C)CC(NC(=O)C1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004598491	0	35	-1.0	-50.18	301.87	-0.92	-51.10
CC(C)CC(NC(=O)C1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004598491	1	35	-1.0	-50.15	301.93	-0.91	-51.06
CC(C)CC(NC(=O)C1CCCNC1=O)C1=N[N-]N=N1	REAL250004598492	0	39	-1.0	-48.02	312.04	0.05	-47.97
CC(C)CC(NC(=O)C1CCCNC1=O)C1=NN=N[N-]1	REAL250004598492	1	39	-1.0	-48.04	312.10	0.06	-47.98
CC(C)CC(NC(=O)C1=CNC(=O)N1C)C1=N[N-]N=N1	REAL250004598493	0	36	-1.0	-49.76	302.50	0.84	-48.92
CC(C)CC(NC(=O)C1=CNC(=O)N1C)C1=NN=N[N-]1	REAL250004598493	1	36	-1.0	-49.79	302.56	0.85	-48.94
CCC=C(F)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598494	0	35	-1.0	-42.03	294.91	3.32	-38.71
CCC=C(F)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598494	1	35	-1.0	-42.04	294.97	3.33	-38.71
CC(C)CC(NC(=O)CC1CSC1)C1=N[N-]N=N1	REAL250004598495	0	36	-1.0	-47.04	303.76	3.58	-43.46
CC(C)CC(NC(=O)CC1CSC1)C1=NN=N[N-]1	REAL250004598495	1	36	-1.0	-47.03	303.82	3.60	-43.43
COC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598496	0	39	-1.0	-55.93	328.57	0.24	-55.69
COC1=NN(C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598496	1	39	-1.0	-55.96	328.51	0.23	-55.73
CSC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598497	0	36	-1.0	-48.78	319.38	3.37	-45.41
CSC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598497	1	36	-1.0	-48.78	319.44	3.39	-45.39
CC(C)CC(NC(=O)C1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004598499	0	42	-1.0	-48.19	340.70	6.26	-41.93
CC(C)CC(NC(=O)C1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004598499	1	42	-1.0	-48.22	340.75	6.27	-41.95
COC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598500	0	36	-1.0	-44.05	308.66	2.66	-41.39
COC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598500	1	36	-1.0	-44.01	308.71	2.68	-41.33
CC(C)CC(NC(=O)C1CCN1C(C)(C)C)C1=N[N-]N=N1	REAL250004598501	0	46	-1.0	-49.39	349.68	1.47	-47.92
CC(C)CC(NC(=O)C1CCN1C(C)(C)C)C1=NN=N[N-]1	REAL250004598501	1	46	-1.0	-49.37	349.73	1.49	-47.88
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC=N1	REAL250004598503	0	35	-1.0	-47.65	291.49	2.34	-45.31
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC=N1	REAL250004598503	1	35	-1.0	-47.64	291.54	2.35	-45.29
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC=N1	REAL250004598504	0	38	-1.0	-47.90	312.96	3.07	-44.83
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC=N1	REAL250004598504	1	38	-1.0	-47.88	313.02	3.09	-44.79
COC(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598505	0	36	-1.0	-45.19	293.73	0.93	-44.26
COC(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598505	1	36	-1.0	-45.20	293.79	0.95	-44.25
CC(C)CC(NC(=O)C1=CN=C(Cl)N1C)C1=NN=N[N-]1	REAL250004598506	0	35	-1.0	-43.17	308.07	3.07	-40.10
CC(C)CC(NC(=O)C1=CN=C(Cl)N1C)C1=N[N-]N=N1	REAL250004598506	1	35	-1.0	-43.18	308.01	3.05	-40.13
CC(C)CC(NC(=O)CCCCC#N)C1=N[N-]N=N1	REAL250004598507	0	38	-1.0	-47.82	319.96	3.92	-43.90
CC(C)CC(NC(=O)CCCCC#N)C1=NN=N[N-]1	REAL250004598507	1	38	-1.0	-47.85	320.02	3.93	-43.92
CC(=CC1=CC=CO1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598508	0	39	-1.0	-47.20	320.68	4.43	-42.77
CC(=CC1=CC=CO1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598508	1	39	-1.0	-47.22	320.75	4.45	-42.77
CC(C)CC(NC(=O)C1=COC(CO)=C1)C1=N[N-]N=N1	REAL250004598509	0	36	-1.0	-51.56	308.20	-0.37	-51.93
CC(C)CC(NC(=O)C1=COC(CO)=C1)C1=NN=N[N-]1	REAL250004598509	1	36	-1.0	-51.60	308.26	-0.36	-51.96
CC(C)CC(NC(=O)C1CSC1)C1=N[N-]N=N1	REAL250004598510	0	33	-1.0	-49.98	282.07	2.69	-47.29
CC(C)CC(NC(=O)C1CSC1)C1=NN=N[N-]1	REAL250004598510	1	33	-1.0	-50.00	282.13	2.71	-47.29
CC(C)CC(NC(=O)[C@H]1CC[C@H](C)CC1)C1=N[N-]N=N1	REAL250004598511	0	44	-1.0	-46.09	338.08	5.05	-41.04
CC(C)CC(NC(=O)[C@H]1CC[C@H](C)CC1)C1=NN=N[N-]1	REAL250004598511	1	44	-1.0	-46.10	338.14	5.07	-41.03
CCC(CO)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598513	0	38	-1.0	-44.25	307.39	-0.21	-44.46
CCC(CO)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598513	1	38	-1.0	-44.31	307.45	-0.20	-44.51
CC(C)CC(NC(=O)CNC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004598514	0	39	-1.0	-48.17	323.80	2.24	-45.93
CC(C)CC(NC(=O)CNC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004598514	1	39	-1.0	-48.18	323.86	2.25	-45.93
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=N[N-]N=N1	REAL250004598515	0	42	-1.0	-46.77	336.41	5.38	-41.39
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=NN=N[N-]1	REAL250004598515	1	42	-1.0	-46.77	336.47	5.40	-41.37
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=N[N-]N=N1	REAL250004598516	0	43	-1.0	-45.81	329.31	5.16	-40.65
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=NN=N[N-]1	REAL250004598516	1	43	-1.0	-45.82	329.35	5.18	-40.64
CC(C)CC(NC(=O)CC(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004598517	0	41	-1.0	-43.75	333.64	4.82	-38.93
CC(C)CC(NC(=O)CC(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004598517	1	41	-1.0	-43.78	333.70	4.84	-38.94
CCN1C=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598518	0	41	-1.0	-55.85	339.69	3.46	-52.39
CCN1C=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598518	1	41	-1.0	-55.88	339.74	3.47	-52.41
CC(C)CC(NC(=O)[C@]12C[C@H]1COC2)C1=N[N-]N=N1	REAL250004598519	0	37	-1.0	-46.45	302.29	1.86	-44.59
CC(C)CC(NC(=O)[C@]12C[C@H]1COC2)C1=NN=N[N-]1	REAL250004598519	1	37	-1.0	-46.45	302.35	1.88	-44.57
CCC1=NOC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598520	0	37	-1.0	-45.96	310.42	2.94	-43.02
CCC1=NOC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598520	1	37	-1.0	-45.94	310.48	2.96	-42.98
CCC(C#N)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598521	0	35	-1.0	-47.51	295.68	2.83	-44.68
CCC(C#N)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598521	1	35	-1.0	-47.54	295.74	2.85	-44.69
CC(C)CC(NC(=O)C1CC1C1CCCC1)C1=N[N-]N=N1	REAL250004598522	0	45	-1.0	-46.26	346.26	5.74	-40.52
CC(C)CC(NC(=O)C1CC1C1CCCC1)C1=NN=N[N-]1	REAL250004598522	1	45	-1.0	-46.26	346.31	5.75	-40.51
CSCC1(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598523	0	42	-1.0	-45.34	349.17	5.12	-40.22
CSCC1(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598523	1	42	-1.0	-45.36	349.23	5.14	-40.22
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)(C)C	REAL250004598524	0	44	-1.0	-45.18	340.11	4.82	-40.36
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)(C)C	REAL250004598524	1	44	-1.0	-45.17	340.16	4.84	-40.33
CC(C)CC(NC(=O)C=CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004598525	0	38	-1.0	-51.30	326.76	1.90	-49.40
CC(C)CC(NC(=O)C=CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004598525	1	38	-1.0	-51.35	326.81	1.92	-49.43
CNC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CS1	REAL250004598526	0	36	-1.0	-47.24	316.47	1.25	-45.99
CNC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CS1	REAL250004598526	1	36	-1.0	-47.26	316.41	1.23	-46.03
CC(C)CC(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004598527	0	39	-1.0	-44.16	328.41	4.70	-39.46
CC(C)CC(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004598527	1	39	-1.0	-44.18	328.47	4.71	-39.47
CC(C)CC(NC(=O)C(O)C(C)(C)O)C1=N[N-]N=N1	REAL250004598528	0	39	-1.0	-45.91	310.58	-1.66	-47.57
CC(C)CC(NC(=O)C(O)C(C)(C)O)C1=NN=N[N-]1	REAL250004598528	1	39	-1.0	-45.91	310.63	-1.65	-47.56
CCC(O)C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598529	0	41	-1.0	-49.12	321.43	1.75	-47.37
CCC(O)C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598529	1	41	-1.0	-49.13	321.49	1.77	-47.36
CCC1=CNC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598530	0	41	-1.0	-57.13	338.11	2.92	-54.21
CCC1=CNC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598530	1	41	-1.0	-57.09	338.17	2.94	-54.15
CC(C)CC(NC(=O)C1CC2CC2C1)C1=N[N-]N=N1	REAL250004598531	0	39	-1.0	-46.73	310.47	4.49	-42.24
CC(C)CC(NC(=O)C1CC2CC2C1)C1=NN=N[N-]1	REAL250004598531	1	39	-1.0	-46.71	310.53	4.50	-42.21
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CO1	REAL250004598532	0	39	-1.0	-45.26	325.45	4.31	-40.95
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CO1	REAL250004598532	1	39	-1.0	-45.25	325.51	4.32	-40.93
CC=CC(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598533	0	36	-1.0	-43.51	299.13	1.33	-42.18
CC=CC(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598533	1	36	-1.0	-43.52	299.19	1.35	-42.17
CC1=CC=NC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598534	0	40	-1.0	-49.12	328.17	3.53	-45.59
CC1=CC=NC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598534	1	40	-1.0	-49.16	328.23	3.55	-45.61
CC(C)CC(NC(=O)C1=CC=NN1C(F)F)C1=NN=N[N-]1	REAL250004598535	0	35	-1.0	-49.11	299.30	1.95	-47.16
CC(C)CC(NC(=O)C1=CC=NN1C(F)F)C1=N[N-]N=N1	REAL250004598535	1	35	-1.0	-49.09	299.24	1.94	-47.15
CC(C)CC(NC(=O)C1CCCC2CC21)C1=N[N-]N=N1	REAL250004598536	0	42	-1.0	-46.92	323.83	5.02	-41.90
CC(C)CC(NC(=O)C1CCCC2CC21)C1=NN=N[N-]1	REAL250004598536	1	42	-1.0	-46.87	323.88	5.04	-41.83
CC(C)CC(NC(=O)C1=CC=C(CF)C=C1)C1=N[N-]N=N1	REAL250004598537	0	38	-1.0	-47.39	319.53	5.00	-42.39
CC(C)CC(NC(=O)C1=CC=C(CF)C=C1)C1=NN=N[N-]1	REAL250004598537	1	38	-1.0	-47.36	319.59	5.02	-42.34
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CCOC1	REAL250004598538	0	43	-1.0	-46.69	342.81	2.12	-44.57
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CCOC1	REAL250004598538	1	43	-1.0	-46.70	342.87	2.13	-44.57
CC(C)CC(NC(=O)CCC1CC1(F)F)C1=N[N-]N=N1	REAL250004598539	0	38	-1.0	-48.78	321.22	4.39	-44.39
CC(C)CC(NC(=O)CCC1CC1(F)F)C1=NN=N[N-]1	REAL250004598539	1	38	-1.0	-48.79	321.28	4.41	-44.38
COCCCOCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598540	0	45	-1.0	-44.82	366.81	1.76	-43.06
COCCCOCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598540	1	45	-1.0	-44.84	366.87	1.78	-43.06
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=C1	REAL250004598541	0	38	-1.0	-49.41	317.47	3.63	-45.78
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=C1	REAL250004598541	1	38	-1.0	-49.42	317.53	3.65	-45.77
CC(C)CC(NC(=O)C1=CN=C2CCCN12)C1=N[N-]N=N1	REAL250004598542	0	39	-1.0	-50.67	317.32	3.73	-46.94
CC(C)CC(NC(=O)C1=CN=C2CCCN12)C1=NN=N[N-]1	REAL250004598542	1	39	-1.0	-50.68	317.38	3.74	-46.94
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(N)=N1	REAL250004598543	0	38	-1.0	-43.12	313.29	1.28	-41.84
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(N)=N1	REAL250004598543	1	38	-1.0	-43.06	313.35	1.30	-41.76
CC(C)CC(NC(=O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004598545	0	42	-1.0	-46.85	340.74	6.29	-40.56
CC(C)CC(NC(=O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004598545	1	42	-1.0	-46.82	340.80	6.30	-40.52
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CCCC1	REAL250004598546	0	45	-1.0	-46.20	351.89	4.75	-41.45
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CCCC1	REAL250004598546	1	45	-1.0	-46.22	351.95	4.76	-41.46
CC(C)CC(NC(=O)C(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL250004598547	0	41	-1.0	-46.43	334.16	4.27	-42.16
CC(C)CC(NC(=O)C(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL250004598547	1	41	-1.0	-46.40	334.22	4.28	-42.12
CC(C)CC(NC(=O)C1CCC1(C)C)C1=N[N-]N=N1	REAL250004598548	0	41	-1.0	-47.02	320.94	4.11	-42.91
CC(C)CC(NC(=O)C1CCC1(C)C)C1=NN=N[N-]1	REAL250004598548	1	41	-1.0	-47.01	321.00	4.12	-42.89
CC[C@@H]1CCO[C@@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598549	0	42	-1.0	-50.52	322.63	3.94	-46.58
CC[C@@H]1CCO[C@@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598549	1	42	-1.0	-50.54	322.68	3.96	-46.58
CC(C)CC(NC(=O)CC(C)C1CCCO1)C1=N[N-]N=N1	REAL250004598550	0	45	-1.0	-44.19	346.18	3.51	-40.68
CC(C)CC(NC(=O)CC(C)C1CCCO1)C1=NN=N[N-]1	REAL250004598550	1	45	-1.0	-44.14	346.24	3.53	-40.61
CC(C)CC(NC(=O)C1=CN(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004598551	0	38	-1.0	-46.55	322.44	2.02	-44.53
CC(C)CC(NC(=O)C1=CN(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004598551	1	38	-1.0	-46.51	322.38	2.01	-44.50
CC(C)CC(NC(=O)COCC(F)F)C1=N[N-]N=N1	REAL250004598552	0	35	-1.0	-54.54	303.70	2.48	-52.06
CC(C)CC(NC(=O)COCC(F)F)C1=NN=N[N-]1	REAL250004598552	1	35	-1.0	-54.56	303.76	2.50	-52.06
COC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CO1	REAL250004598553	0	35	-1.0	-45.45	303.50	-2.19	-47.64
COC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CO1	REAL250004598553	1	35	-1.0	-45.46	303.44	-2.21	-47.67
CCCC=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598554	0	38	-1.0	-45.70	312.23	4.06	-41.64
CCCC=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598554	1	38	-1.0	-45.73	312.28	4.07	-41.66
CC(C)CC(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=N[N-]N=N1	REAL250004598555	0	45	-1.0	-45.30	357.49	3.68	-41.62
CC(C)CC(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=NN=N[N-]1	REAL250004598555	1	45	-1.0	-45.29	357.55	3.70	-41.59
CC(C)CC(NC(=O)C1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004598556	0	34	-1.0	-52.13	293.28	2.58	-49.55
CC(C)CC(NC(=O)C1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004598556	1	34	-1.0	-52.10	293.23	2.57	-49.53
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598557	0	34	-1.0	-44.75	292.46	-0.34	-45.09
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598557	1	34	-1.0	-44.76	292.52	-0.33	-45.09
CC1=COC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598558	0	35	-1.0	-48.84	293.75	2.83	-46.01
CC1=COC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598558	1	35	-1.0	-48.84	293.81	2.84	-46.00
COCC(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598559	0	39	-1.0	-46.45	319.00	1.40	-45.05
COCC(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598559	1	39	-1.0	-46.44	319.06	1.41	-45.03
CC(C)CC(NC(=O)[C@@H]1CCCN1C)C1=N[N-]N=N1	REAL250004598560	1	40	-1.0	-44.00	309.14	0.69	-43.31
CC(C)CC(NC(=O)[C@@H]1CCCN1C)C1=NN=N[N-]1	REAL250004598560	1	40	-1.0	-43.97	309.19	0.70	-43.27
CC(C)CC(NC(=O)[C@H]1CCCN1C)C1=N[N-]N=N1	REAL250004598561	1	40	-1.0	-48.28	317.13	1.40	-46.88
CC(C)CC(NC(=O)[C@H]1CCCN1C)C1=NN=N[N-]1	REAL250004598561	1	40	-1.0	-48.27	317.19	1.41	-46.86
CC(C)CC(NC(=O)[C@@H](C)N(C)C)C1=N[N-]N=N1	REAL250004598562	1	39	-1.0	-46.24	303.61	0.60	-45.64
CC(C)CC(NC(=O)[C@@H](C)N(C)C)C1=NN=N[N-]1	REAL250004598562	1	39	-1.0	-46.23	303.67	0.61	-45.62
CC(C)CC(NC(=O)C1=CN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004598563	0	38	-1.0	-47.96	322.41	1.57	-46.39
CC(C)CC(NC(=O)C1=CN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004598563	1	38	-1.0	-47.95	322.46	1.59	-46.36
CC1=NN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)O1	REAL250004598565	0	37	-1.0	-52.19	320.47	-0.30	-52.49
CC1=NN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)O1	REAL250004598565	1	37	-1.0	-52.19	320.53	-0.28	-52.47
CC(C)CC(NC(=O)CC(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004598566	0	41	-1.0	-44.52	334.90	4.37	-40.15
CC(C)CC(NC(=O)CC(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004598566	1	41	-1.0	-44.47	334.96	4.39	-40.08
CCCC(OCC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598567	0	44	-1.0	-46.60	352.96	4.53	-42.07
CCCC(OCC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598567	1	44	-1.0	-46.57	353.01	4.55	-42.02
COC1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598568	0	39	-1.0	-50.40	316.29	2.10	-48.30
COC1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598568	1	39	-1.0	-50.40	316.35	2.11	-48.29
CCOC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004598569	0	42	-1.0	-46.99	340.70	4.61	-42.38
CCOC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598569	1	42	-1.0	-46.97	340.76	4.62	-42.35
CC(C)CC(NC(=O)C=CC1=CC=CS1)C1=N[N-]N=N1	REAL250004598570	0	36	-1.0	-46.08	316.28	4.46	-41.62
CC(C)CC(NC(=O)C=CC1=CC=CS1)C1=NN=N[N-]1	REAL250004598570	1	36	-1.0	-46.08	316.33	4.48	-41.60
CC(C)CC(NC(=O)C1=CN(C2CC2)N=C1)C1=NN=N[N-]1	REAL250004598571	0	39	-1.0	-47.36	326.23	3.46	-43.90
CC(C)CC(NC(=O)C1=CN(C2CC2)N=C1)C1=N[N-]N=N1	REAL250004598571	1	39	-1.0	-47.36	326.17	3.44	-43.92
CC(C)CC(NC(=O)[C@@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004598572	0	34	-1.0	-50.98	288.59	-1.55	-52.53
CC(C)CC(NC(=O)[C@@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004598572	1	34	-1.0	-50.97	288.65	-1.53	-52.50
CC(C)CC(NC(=O)CC1=CSC=N1)C1=N[N-]N=N1	REAL250004598573	0	34	-1.0	-52.06	299.61	2.01	-50.05
CC(C)CC(NC(=O)CC1=CSC=N1)C1=NN=N[N-]1	REAL250004598573	1	34	-1.0	-52.12	299.66	2.03	-50.09
CC(C)CC(NC(=O)C1CCCC2(CC2)C1)C1=N[N-]N=N1	REAL250004598574	0	45	-1.0	-45.98	348.70	5.71	-40.27
CC(C)CC(NC(=O)C1CCCC2(CC2)C1)C1=NN=N[N-]1	REAL250004598574	1	45	-1.0	-46.03	348.76	5.72	-40.31
CCCN1N=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598575	0	41	-1.0	-43.70	335.27	3.52	-40.18
CCCN1N=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598575	1	41	-1.0	-43.73	335.21	3.51	-40.22
CC1=CN=CN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598576	0	38	-1.0	-50.43	317.04	4.38	-46.05
CC1=CN=CN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598576	1	38	-1.0	-50.44	316.99	4.37	-46.07
CC(C)CC(NC(=O)C1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004598577	0	35	-1.0	-40.44	313.87	2.33	-38.11
CC(C)CC(NC(=O)C1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004598577	1	35	-1.0	-40.44	313.81	2.32	-38.12
CCC(F)(F)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598578	0	34	-1.0	-40.95	287.87	2.76	-38.19
CCC(F)(F)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598578	1	34	-1.0	-40.97	287.93	2.78	-38.19
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CCC1	REAL250004598579	0	42	-1.0	-46.49	334.93	4.19	-42.30
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CCC1	REAL250004598579	1	42	-1.0	-46.51	334.99	4.19	-42.32
CCCCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004598580	0	49	-1.0	-47.05	369.15	6.10	-40.95
CCCCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004598580	1	49	-1.0	-47.05	369.21	6.11	-40.94
CCN1C=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598581	0	38	-1.0	-50.89	318.93	4.32	-46.57
CCN1C=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598581	1	38	-1.0	-50.91	318.88	4.30	-46.61
CC(C)CC(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=N[N-]N=N1	REAL250004598582	0	37	-1.0	-46.16	302.57	1.98	-44.18
CC(C)CC(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=NN=N[N-]1	REAL250004598582	1	37	-1.0	-46.15	302.63	1.99	-44.16
CC(C)CC(NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=N[N-]N=N1	REAL250004598583	0	39	-1.0	-46.70	310.56	4.47	-42.23
CC(C)CC(NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=NN=N[N-]1	REAL250004598583	1	39	-1.0	-46.70	310.62	4.48	-42.22
CC(C)CC(NC(=O)C1CCC2(CC2)CC1)C1=N[N-]N=N1	REAL250004598584	0	45	-1.0	-46.20	348.63	5.71	-40.49
CC(C)CC(NC(=O)C1CCC2(CC2)CC1)C1=NN=N[N-]1	REAL250004598584	1	45	-1.0	-46.24	348.69	5.73	-40.51
CC(C)CC(NC(=O)C1=NN(C)C=C1Cl)C1=NN=N[N-]1	REAL250004598585	0	35	-1.0	-50.81	312.25	2.52	-48.29
CC(C)CC(NC(=O)C1=NN(C)C=C1Cl)C1=N[N-]N=N1	REAL250004598585	1	35	-1.0	-50.77	312.19	2.50	-48.27
CC(C)CC(NC(=O)C1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL250004598586	0	32	-1.0	-47.57	296.52	3.69	-43.88
CC(C)CC(NC(=O)C1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL250004598586	1	32	-1.0	-47.60	296.57	3.71	-43.89
CC1=NC=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598587	0	36	-1.0	-46.09	299.78	1.24	-44.85
CC1=NC=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598587	1	36	-1.0	-46.08	299.84	1.26	-44.82
CC(C)CC(NC(=O)C1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004598588	0	39	-1.0	-45.14	315.24	4.54	-40.60
CC(C)CC(NC(=O)C1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004598588	1	39	-1.0	-45.16	315.30	4.56	-40.60
CC(C)CC(NC(=O)CCC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004598589	0	40	-1.0	-52.31	334.26	2.16	-50.15
CC(C)CC(NC(=O)CCC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004598589	1	40	-1.0	-52.31	334.32	2.18	-50.13
CC(C)CC(NC(=O)C1=CC(Cl)=NO1)C1=NN=N[N-]1	REAL250004598590	0	31	-1.0	-38.95	287.31	2.05	-36.90
CC(C)CC(NC(=O)C1=CC(Cl)=NO1)C1=N[N-]N=N1	REAL250004598590	1	31	-1.0	-38.93	287.26	2.04	-36.89
CC(C)CC(NC(=O)[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004598591	0	34	-1.0	-51.53	288.56	-1.57	-53.10
CC(C)CC(NC(=O)[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004598591	1	34	-1.0	-51.57	288.61	-1.55	-53.12
CC(C)CC(NC(=O)C1CNC(=O)N1C)C1=N[N-]N=N1	REAL250004598592	0	38	-1.0	-51.55	311.77	-0.35	-51.90
CC(C)CC(NC(=O)C1CNC(=O)N1C)C1=NN=N[N-]1	REAL250004598592	1	38	-1.0	-51.57	311.83	-0.33	-51.90
CC(C)CC(NC(=O)[C@H](C)N(C)C)C1=N[N-]N=N1	REAL250004598593	1	39	-1.0	-46.08	302.26	0.62	-45.46
CC(C)CC(NC(=O)[C@H](C)N(C)C)C1=NN=N[N-]1	REAL250004598593	1	39	-1.0	-46.10	302.32	0.64	-45.46
CCC(C)(C)C(=O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598594	0	42	-1.0	-40.55	327.62	3.43	-37.12
CCC(C)(C)C(=O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598594	1	42	-1.0	-40.61	327.67	3.44	-37.17
CC(C)CC(NC(=O)[C@H]1C[C@@H](O)C1)C1=N[N-]N=N1	REAL250004598595	0	36	-1.0	-50.90	294.23	-0.23	-51.13
CC(C)CC(NC(=O)[C@H]1C[C@@H](O)C1)C1=NN=N[N-]1	REAL250004598595	1	36	-1.0	-50.89	294.28	-0.22	-51.11
CC(C)CC(NC(=O)C1CN(C)CC(C)O1)C1=N[N-]N=N1	REAL250004598596	0	44	-1.0	-48.27	347.39	1.39	-46.88
CC(C)CC(NC(=O)C1CN(C)CC(C)O1)C1=NN=N[N-]1	REAL250004598596	1	44	-1.0	-48.27	347.44	1.41	-46.86
CC(C)CC(NC(=O)C=CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004598598	0	38	-1.0	-52.25	326.42	4.96	-47.29
CC(C)CC(NC(=O)C=CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004598598	1	38	-1.0	-52.33	326.37	4.94	-47.39
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=N[N-]N=N1	REAL250004598599	0	39	-1.0	-57.13	325.34	3.79	-53.34
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=NN=N[N-]1	REAL250004598599	1	39	-1.0	-57.10	325.40	3.80	-53.30
CC1=CC=NN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598600	0	38	-1.0	-52.98	318.16	2.76	-50.22
CC1=CC=NN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598600	1	38	-1.0	-52.97	318.22	2.77	-50.20
CC(Cl)=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598601	0	32	-1.0	-46.80	282.00	2.99	-43.81
CC(Cl)=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598601	1	32	-1.0	-46.81	282.06	3.01	-43.80
CC1=C(CO)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598602	0	39	-1.0	-50.86	329.26	0.38	-50.48
CC1=C(CO)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598602	1	39	-1.0	-50.87	329.32	0.39	-50.48
CC(C)CC(NC(=O)C1=CC(=O)N(C)C=N1)C1=NN=N[N-]1	REAL250004598604	0	37	-1.0	-54.00	314.02	2.80	-51.20
CC(C)CC(NC(=O)C1=CC(=O)N(C)C=N1)C1=N[N-]N=N1	REAL250004598604	1	37	-1.0	-54.02	313.97	2.78	-51.24
CC(C)CC(NC(=O)C1OCCN(C)C1=O)C1=N[N-]N=N1	REAL250004598605	0	40	-1.0	-54.99	324.23	1.53	-53.46
CC(C)CC(NC(=O)C1OCCN(C)C1=O)C1=NN=N[N-]1	REAL250004598605	1	40	-1.0	-54.96	324.29	1.55	-53.41
CC1=C(C)NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598607	0	38	-1.0	-46.72	316.15	2.04	-44.68
CC1=C(C)NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598607	1	38	-1.0	-46.75	316.21	2.05	-44.70
CC1=NN=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598608	0	39	-1.0	-46.66	329.63	-1.44	-48.10
CC1=NN=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598608	1	39	-1.0	-46.67	329.69	-1.42	-48.09
CC(C)CC(NC(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004598609	0	37	-1.0	-44.39	318.75	-1.08	-45.47
CC(C)CC(NC(=O)C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004598609	1	37	-1.0	-44.38	318.81	-1.07	-45.45
CC(C)CC(NC(=O)C1=CC(F)=CNC1=O)C1=N[N-]N=N1	REAL250004598610	0	35	-1.0	-54.51	300.02	1.47	-53.04
CC(C)CC(NC(=O)C1=CC(F)=CNC1=O)C1=NN=N[N-]1	REAL250004598610	1	35	-1.0	-54.52	300.08	1.48	-53.04
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL250004598611	0	37	-1.0	-47.04	318.75	5.39	-41.65
C#CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL250004598611	1	37	-1.0	-47.02	318.81	5.40	-41.62
CC(C)CC(NC(=O)C1(C#N)CCOC1)C1=N[N-]N=N1	REAL250004598612	0	37	-1.0	-39.31	310.45	1.33	-37.98
CC(C)CC(NC(=O)C1(C#N)CCOC1)C1=NN=N[N-]1	REAL250004598612	1	37	-1.0	-39.28	310.51	1.34	-37.94
CC(C)CC(NC(=O)C(C)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004598613	0	39	-1.0	-50.49	321.70	1.58	-48.91
CC(C)CC(NC(=O)C(C)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004598613	1	39	-1.0	-50.46	321.76	1.60	-48.86
CC(C)CC(NC(=O)CCOC1COC1)C1=N[N-]N=N1	REAL250004598614	0	40	-1.0	-44.29	329.44	0.47	-43.82
CC(C)CC(NC(=O)CCOC1COC1)C1=NN=N[N-]1	REAL250004598614	1	40	-1.0	-44.24	329.50	0.48	-43.76
CC(C)CC(NC(=O)C1=CSC=C1Cl)C1=N[N-]N=N1	REAL250004598615	0	32	-1.0	-48.43	296.60	3.62	-44.81
CC(C)CC(NC(=O)C1=CSC=C1Cl)C1=NN=N[N-]1	REAL250004598615	1	32	-1.0	-48.42	296.65	3.64	-44.78
CCC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)(C)C	REAL250004598616	0	49	-1.0	-44.80	357.97	5.24	-39.56
CCC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)(C)C	REAL250004598616	1	49	-1.0	-44.84	358.03	5.25	-39.59
CC(C)CC(NC(=O)C1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004598617	0	35	-1.0	-43.33	310.78	3.29	-40.04
CC(C)CC(NC(=O)C1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004598617	1	35	-1.0	-43.31	310.84	3.31	-40.00
CC(C)CC(NC(=O)CCC(N)=O)C1=N[N-]N=N1	REAL250004598618	0	35	-1.0	-45.80	293.79	-1.32	-47.12
CC(C)CC(NC(=O)CCC(N)=O)C1=NN=N[N-]1	REAL250004598618	1	35	-1.0	-45.78	293.85	-1.30	-47.08
CC(C)CC(NC(=O)C1=CC(=O)NC=N1)C1=N[N-]N=N1	REAL250004598619	0	34	-1.0	-53.40	293.61	1.03	-52.37
CC(C)CC(NC(=O)C1=CC(=O)NC=N1)C1=NN=N[N-]1	REAL250004598619	1	34	-1.0	-53.39	293.66	1.04	-52.35
CC(C)CC(NC(=O)CN1CCOC1=O)C1=N[N-]N=N1	REAL250004598620	0	37	-1.0	-51.42	311.32	1.72	-49.70
CC(C)CC(NC(=O)CN1CCOC1=O)C1=NN=N[N-]1	REAL250004598620	1	37	-1.0	-51.45	311.38	1.75	-49.70
CC(C)CC(NC(=O)CCCN1C=NC=N1)C1=NN=N[N-]1	REAL250004598621	0	40	-1.0	-54.13	334.82	5.06	-49.07
CC(C)CC(NC(=O)CCCN1C=NC=N1)C1=N[N-]N=N1	REAL250004598621	1	40	-1.0	-54.06	334.76	5.05	-49.01
CC(C)CC(NC(=O)CN1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004598622	0	41	-1.0	-53.21	328.40	-1.75	-54.96
CC(C)CC(NC(=O)CN1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004598622	1	41	-1.0	-53.24	328.46	-1.73	-54.97
CCCC=CC(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598623	0	42	-1.0	-43.98	341.69	2.88	-41.10
CCCC=CC(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598623	1	42	-1.0	-43.97	341.75	2.89	-41.08
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(Cl)=NN1	REAL250004598624	0	35	-1.0	-49.97	313.98	1.52	-48.45
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(Cl)=NN1	REAL250004598624	1	35	-1.0	-49.98	314.04	1.54	-48.44
CC1=NC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004598625	0	37	-1.0	-50.85	313.58	0.46	-50.39
CC1=NC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004598625	1	37	-1.0	-50.86	313.64	0.47	-50.39
CC(C)CC(NC(=O)CC1=CON=C1)C1=NN=N[N-]1	REAL250004598626	0	34	-1.0	-47.02	291.21	2.27	-44.75
CC(C)CC(NC(=O)CC1=CON=C1)C1=N[N-]N=N1	REAL250004598626	1	34	-1.0	-47.06	291.16	2.25	-44.81
CC(C)CC(NC(=O)C1=CC=C(C=O)S1)C1=N[N-]N=N1	REAL250004598627	0	34	-1.0	-46.41	308.25	3.03	-43.38
CC(C)CC(NC(=O)C1=CC=C(C=O)S1)C1=NN=N[N-]1	REAL250004598627	1	34	-1.0	-46.45	308.31	3.05	-43.40
CC(C)CC(NC(=O)C1=NC=CN=C1Cl)C1=NN=N[N-]1	REAL250004598629	0	33	-1.0	-48.62	296.20	1.09	-47.53
CC(C)CC(NC(=O)C1=NC=CN=C1Cl)C1=N[N-]N=N1	REAL250004598629	1	33	-1.0	-48.65	296.14	1.07	-47.58
CC(C)CC(NC(=O)C1=CN(C)C(=O)N1C)C1=N[N-]N=N1	REAL250004598630	0	39	-1.0	-50.31	324.36	2.90	-47.41
CC(C)CC(NC(=O)C1=CN(C)C(=O)N1C)C1=NN=N[N-]1	REAL250004598630	1	39	-1.0	-50.30	324.42	2.92	-47.38
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1C	REAL250004598631	0	38	-1.0	-47.10	311.27	3.09	-44.01
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1C	REAL250004598631	1	38	-1.0	-47.10	311.33	3.10	-44.00
CC(C)CC(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=N[N-]N=N1	REAL250004598632	0	36	-1.0	-55.94	302.22	-0.78	-56.72
CC(C)CC(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=NN=N[N-]1	REAL250004598632	1	36	-1.0	-55.94	302.28	-0.77	-56.71
CC(=O)N1CCC[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598635	0	42	-1.0	-53.37	337.78	2.63	-50.74
CC(=O)N1CCC[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598635	1	42	-1.0	-53.32	337.84	2.65	-50.67
CC(C)CC(NC(=O)CCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004598636	0	41	-1.0	-45.64	333.12	2.12	-43.52
CC(C)CC(NC(=O)CCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004598636	1	41	-1.0	-45.69	333.17	2.14	-43.55
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=N[N-]N=N1	REAL250004598637	0	39	-1.0	-46.39	328.49	4.44	-41.95
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=NN=N[N-]1	REAL250004598637	1	39	-1.0	-46.40	328.55	4.46	-41.94
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004598638	0	40	-1.0	-63.67	330.21	0.05	-63.62
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004598638	1	40	-1.0	-63.68	330.27	0.07	-63.61
CC(C)CC(NC(=O)C1=CN(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004598639	0	39	-1.0	-50.04	326.33	4.81	-45.23
CC(C)CC(NC(=O)C1=CN(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004598639	1	39	-1.0	-50.10	326.27	4.79	-45.31
CCC(NC(C)=O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598640	0	41	-1.0	-45.27	328.02	1.00	-44.27
CCC(NC(C)=O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598640	1	41	-1.0	-45.29	328.07	1.02	-44.27
CC(C)CC(NC(=O)[C@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004598641	0	35	-1.0	-55.05	294.48	3.16	-51.89
CC(C)CC(NC(=O)[C@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004598641	1	35	-1.0	-55.04	294.54	3.18	-51.86
CC(C)CC(NC(=O)C1COC(=O)N1C)C1=N[N-]N=N1	REAL250004598642	0	37	-1.0	-52.25	307.49	1.11	-51.14
CC(C)CC(NC(=O)C1COC(=O)N1C)C1=NN=N[N-]1	REAL250004598642	1	37	-1.0	-52.19	307.55	1.13	-51.06
CC(C)CC(NC(=O)C1=NC=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004598643	0	38	-1.0	-51.82	318.89	4.72	-47.10
CC(C)CC(NC(=O)C1=NC=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004598643	1	38	-1.0	-51.84	318.83	4.70	-47.14
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598644	0	38	-1.0	-45.94	322.33	4.67	-41.27
CC1=CC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598644	1	38	-1.0	-45.97	322.39	4.69	-41.28
CC(C)CC(NC(=O)C1C(C)OC(C)C1C)C1=N[N-]N=N1	REAL250004598645	0	45	-1.0	-47.10	337.28	2.47	-44.63
CC(C)CC(NC(=O)C1C(C)OC(C)C1C)C1=NN=N[N-]1	REAL250004598645	1	45	-1.0	-47.16	337.34	2.48	-44.68
CC(C)CC(NC(=O)C1=COC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004598646	0	35	-1.0	-48.14	309.43	3.26	-44.88
CC(C)CC(NC(=O)C1=COC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004598646	1	35	-1.0	-48.12	309.49	3.27	-44.85
CC(C)CC(NC(=O)C1CC(C2CC2)C1)C1=N[N-]N=N1	REAL250004598647	0	42	-1.0	-47.09	335.47	5.32	-41.77
CC(C)CC(NC(=O)C1CC(C2CC2)C1)C1=NN=N[N-]1	REAL250004598647	1	42	-1.0	-47.14	335.53	5.33	-41.81
CC(C)CC(NC(=O)CC1=CNC=N1)C1=N[N-]N=N1	REAL250004598648	0	35	-1.0	-56.67	294.64	2.51	-54.16
CC(C)CC(NC(=O)CC1=CNC=N1)C1=NN=N[N-]1	REAL250004598648	1	35	-1.0	-56.65	294.70	2.52	-54.13
CC(=C(F)C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004598649	0	39	-1.0	-41.95	318.39	4.66	-37.29
CC(=C(F)C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598649	1	39	-1.0	-42.00	318.45	4.67	-37.33
CC(C)CC(NC(=O)[C@@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004598650	0	36	-1.0	-51.33	298.53	-0.23	-51.56
CC(C)CC(NC(=O)[C@@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004598650	1	36	-1.0	-51.32	298.58	-0.22	-51.54
CC(C)CC(NC(=O)C1C(C)C1C1CC1)C1=N[N-]N=N1	REAL250004598651	0	42	-1.0	-45.58	333.23	5.48	-40.10
CC(C)CC(NC(=O)C1C(C)C1C1CC1)C1=NN=N[N-]1	REAL250004598651	1	42	-1.0	-45.57	333.29	5.50	-40.07
CC(C)CC(NC(=O)C1CCCC12CC2)C1=N[N-]N=N1	REAL250004598652	0	42	-1.0	-47.55	329.08	4.98	-42.57
CC(C)CC(NC(=O)C1CCCC12CC2)C1=NN=N[N-]1	REAL250004598652	1	42	-1.0	-47.55	329.14	5.00	-42.55
CC(=O)N1CCC[C@@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598653	0	42	-1.0	-53.40	338.43	2.64	-50.76
CC(=O)N1CCC[C@@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598653	1	42	-1.0	-53.37	338.48	2.66	-50.71
CC(C)CC(NC(=O)C1=CC=CN=N1)C1=NN=N[N-]1	REAL250004598654	0	33	-1.0	-47.28	283.83	1.32	-45.96
CC(C)CC(NC(=O)C1=CC=CN=N1)C1=N[N-]N=N1	REAL250004598654	1	33	-1.0	-47.26	283.77	1.31	-45.95
COC1=CC=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598655	0	38	-1.0	-53.34	316.23	3.06	-50.28
COC1=CC=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598655	1	38	-1.0	-53.29	316.18	3.04	-50.25
CC(C)CC(NC(=O)C1CC(C)OC1C)C1=N[N-]N=N1	REAL250004598656	0	42	-1.0	-48.31	327.67	2.08	-46.23
CC(C)CC(NC(=O)C1CC(C)OC1C)C1=NN=N[N-]1	REAL250004598656	1	42	-1.0	-48.35	327.73	2.08	-46.27
CC(C)CC(NC(=O)C1CC2CC1C1CC12)C1=N[N-]N=N1	REAL250004598657	0	43	-1.0	-46.77	325.59	5.23	-41.54
CC(C)CC(NC(=O)C1CC2CC1C1CC12)C1=NN=N[N-]1	REAL250004598657	1	43	-1.0	-46.79	325.65	5.25	-41.54
CCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(C)=N1	REAL250004598658	0	41	-1.0	-49.89	336.16	3.37	-46.52
CCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(C)=N1	REAL250004598658	1	41	-1.0	-49.89	336.22	3.39	-46.50
CC(C)CC(NC(=O)CC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL250004598659	0	38	-1.0	-50.12	332.05	3.39	-46.73
CC(C)CC(NC(=O)CC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL250004598659	1	38	-1.0	-50.07	331.99	3.37	-46.70
CC(C)CC(NC(=O)C(C)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004598660	0	49	-1.0	-45.46	351.23	5.06	-40.40
CC(C)CC(NC(=O)C(C)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004598660	1	49	-1.0	-45.45	351.29	5.07	-40.38
COCC=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598661	0	36	-1.0	-48.07	303.00	1.56	-46.51
COCC=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598661	1	36	-1.0	-48.04	303.05	1.57	-46.47
CC1=CN=C(F)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598662	0	37	-1.0	-51.76	312.56	3.02	-48.74
CC1=CN=C(F)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598662	1	37	-1.0	-51.79	312.51	3.00	-48.79
CC1=CC(F)=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598663	0	37	-1.0	-42.35	309.18	3.02	-39.33
CC1=CC(F)=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598663	1	37	-1.0	-42.36	309.24	3.03	-39.33
COC1=NSC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598664	0	35	-1.0	-49.75	308.10	1.05	-48.70
COC1=NSC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598664	1	35	-1.0	-49.77	308.04	1.04	-48.73
CC(C)CC(NC(=O)C1=COC(C#N)=C1)C1=N[N-]N=N1	REAL250004598665	0	33	-1.0	-46.51	295.68	2.67	-43.84
CC(C)CC(NC(=O)C1=COC(C#N)=C1)C1=NN=N[N-]1	REAL250004598665	1	33	-1.0	-46.49	295.74	2.69	-43.80
CC(C)CC(NC(=O)C1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004598666	0	35	-1.0	-46.85	309.94	2.11	-44.74
CC(C)CC(NC(=O)C1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004598666	1	35	-1.0	-46.84	309.88	2.09	-44.75
CCOCCCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598667	0	47	-1.0	-47.57	376.13	4.22	-43.35
CCOCCCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598667	1	47	-1.0	-47.54	376.19	4.23	-43.31
CC(C)CC(NC(=O)C1=NC=CC=C1N)C1=NN=N[N-]1	REAL250004598668	0	36	-1.0	-46.62	298.61	0.71	-45.91
CC(C)CC(NC(=O)C1=NC=CC=C1N)C1=N[N-]N=N1	REAL250004598668	1	36	-1.0	-46.66	298.55	0.70	-45.96
CC1=CON=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598669	0	34	-1.0	-46.93	289.10	2.10	-44.83
CC1=CON=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598669	1	34	-1.0	-46.94	289.04	2.09	-44.85
CC(C)CC(NC(=O)C1CC1C1CC1C)C1=N[N-]N=N1	REAL250004598670	0	42	-1.0	-45.95	335.78	5.34	-40.61
CC(C)CC(NC(=O)C1CC1C1CC1C)C1=NN=N[N-]1	REAL250004598670	1	42	-1.0	-45.98	335.83	5.36	-40.62
CCN1N=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL250004598671	0	41	-1.0	-47.26	333.93	3.29	-43.97
CCN1N=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL250004598671	1	41	-1.0	-47.27	333.99	3.30	-43.97
CC(C)CC(NC(=O)C#CC1(C)CC1)C1=N[N-]N=N1	REAL250004598672	0	37	-1.0	-46.81	316.12	4.57	-42.24
CC(C)CC(NC(=O)C#CC1(C)CC1)C1=NN=N[N-]1	REAL250004598672	1	37	-1.0	-46.62	316.18	4.59	-42.03
CC(C)CC(NC(=O)C1CCCCN1C)C1=N[N-]N=N1	REAL250004598673	0	43	-1.0	-45.90	330.69	1.96	-43.94
CC(C)CC(NC(=O)C1CCCCN1C)C1=NN=N[N-]1	REAL250004598673	1	43	-1.0	-45.94	330.75	1.98	-43.96
CC(C)CC(NC(=O)C1CC2(CSC2)C1)C1=N[N-]N=N1	REAL250004598674	0	40	-1.0	-46.81	331.53	4.61	-42.20
CC(C)CC(NC(=O)C1CC2(CSC2)C1)C1=NN=N[N-]1	REAL250004598674	1	40	-1.0	-46.87	331.59	4.62	-42.25
CC(C)CC(NC(=O)CCCC1(C)N=N1)C1=N[N-]N=N1	REAL250004598675	0	40	-1.0	-51.29	331.28	-0.73	-52.02
CC(C)CC(NC(=O)CCCC1(C)N=N1)C1=NN=N[N-]1	REAL250004598675	1	40	-1.0	-51.25	331.33	-0.71	-51.96
C=CC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004598676	0	42	-1.0	-45.66	346.88	5.95	-39.71
C=CC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004598676	1	42	-1.0	-45.64	346.93	5.96	-39.68
CC(C)CC(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004598677	0	39	-1.0	-45.47	324.10	1.92	-43.55
CC(C)CC(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004598677	1	39	-1.0	-45.44	324.16	1.94	-43.50
CC(C)CC(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=N[N-]N=N1	REAL250004598678	0	43	-1.0	-49.92	332.34	4.03	-45.89
CC(C)CC(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=NN=N[N-]1	REAL250004598678	1	43	-1.0	-49.92	332.40	4.05	-45.87
CNC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004598679	0	39	-1.0	-49.28	323.68	1.28	-48.00
CNC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004598679	1	39	-1.0	-49.35	323.62	1.27	-48.08
CC(C)CC(NC(=O)CC1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004598680	0	42	-1.0	-58.21	336.23	3.83	-54.38
CC(C)CC(NC(=O)CC1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004598680	1	42	-1.0	-58.19	336.28	3.84	-54.35
CC(C)CC(NC(=O)CC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004598681	0	37	-1.0	-52.90	316.00	3.29	-49.61
CC(C)CC(NC(=O)CC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004598681	1	37	-1.0	-52.94	316.05	3.30	-49.64
CC(C)CC(NC(=O)C1=CC=C(F)C=C1N)C1=N[N-]N=N1	REAL250004598682	0	37	-1.0	-42.59	307.68	2.45	-40.14
CC(C)CC(NC(=O)C1=CC=C(F)C=C1N)C1=NN=N[N-]1	REAL250004598682	1	37	-1.0	-42.60	307.74	2.47	-40.13
CC(C)CC(NC(=O)C1=CC=CN2N=CC=C12)C1=NN=N[N-]1	REAL250004598683	0	38	-1.0	-52.70	317.14	3.99	-48.71
CC(C)CC(NC(=O)C1=CC=CN2N=CC=C12)C1=N[N-]N=N1	REAL250004598683	1	38	-1.0	-52.67	317.09	3.98	-48.69
CC(C)CC(NC(=O)CCNC(=O)CO)C1=N[N-]N=N1	REAL250004598684	0	39	-1.0	-59.76	327.68	-1.94	-61.70
CC(C)CC(NC(=O)CCNC(=O)CO)C1=NN=N[N-]1	REAL250004598684	1	39	-1.0	-59.76	327.74	-1.93	-61.69
CC(C)CC(NC(=O)CC1CCNC1=O)C1=N[N-]N=N1	REAL250004598685	0	39	-1.0	-62.40	315.11	1.47	-60.93
CC(C)CC(NC(=O)CC1CCNC1=O)C1=NN=N[N-]1	REAL250004598685	1	39	-1.0	-62.40	315.17	1.49	-60.91
CC(C)CC(NC(=O)C1=CN=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004598686	0	38	-1.0	-49.90	317.43	2.34	-47.56
CC(C)CC(NC(=O)C1=CN=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004598686	1	38	-1.0	-49.91	317.49	2.35	-47.56
CC(C)CC(NC(=O)CC1=NN=C(N)S1)C1=N[N-]N=N1	REAL250004598687	0	35	-1.0	-49.41	311.55	0.07	-49.34
CC(C)CC(NC(=O)CC1=NN=C(N)S1)C1=NN=N[N-]1	REAL250004598687	1	35	-1.0	-49.42	311.60	0.09	-49.33
CC(C)CC(NC(=O)C1=CC=NC(N)=C1)C1=N[N-]N=N1	REAL250004598688	0	36	-1.0	-46.37	301.85	1.16	-45.21
CC(C)CC(NC(=O)C1=CC=NC(N)=C1)C1=NN=N[N-]1	REAL250004598688	1	36	-1.0	-46.35	301.91	1.17	-45.18
CCCC(CC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598689	0	43	-1.0	-46.82	331.19	4.46	-42.36
CCCC(CC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598689	1	43	-1.0	-46.83	331.25	4.48	-42.35
CC(C)CC(NC(=O)C1C2(CC2)C12CC2)C1=N[N-]N=N1	REAL250004598690	0	40	-1.0	-46.71	331.62	5.60	-41.11
CC(C)CC(NC(=O)C1C2(CC2)C12CC2)C1=NN=N[N-]1	REAL250004598690	1	40	-1.0	-46.74	331.68	5.61	-41.13
CC(C)CC(NC(=O)C1CCC=CCC1)C1=N[N-]N=N1	REAL250004598691	0	42	-1.0	-46.07	323.02	4.89	-41.18
CC(C)CC(NC(=O)C1CCC=CCC1)C1=NN=N[N-]1	REAL250004598691	1	42	-1.0	-46.06	323.08	4.90	-41.16
CCN1C=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL250004598692	0	42	-1.0	-49.83	338.34	5.11	-44.72
CCN1C=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL250004598692	1	42	-1.0	-49.80	338.40	5.13	-44.67
CC1=COC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598693	0	35	-1.0	-46.16	297.58	2.90	-43.26
CC1=COC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598693	1	35	-1.0	-46.22	297.64	2.92	-43.30
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598694	0	41	-1.0	-49.98	332.87	3.68	-46.30
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598694	1	41	-1.0	-49.98	332.93	3.69	-46.29
CC(C)CC(NC(=O)C=CC1=CSC=C1)C1=N[N-]N=N1	REAL250004598695	0	36	-1.0	-46.41	316.08	4.36	-42.05
CC(C)CC(NC(=O)C=CC1=CSC=C1)C1=NN=N[N-]1	REAL250004598695	1	36	-1.0	-46.45	316.14	4.38	-42.07
CCC1=NN(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598696	0	41	-1.0	-43.72	334.82	3.30	-40.42
CCC1=NN(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598696	1	41	-1.0	-43.75	334.88	3.31	-40.44
CC(C)CC(NC(=O)C1=CC(N)=CC=N1)C1=N[N-]N=N1	REAL250004598697	0	36	-1.0	-48.45	303.78	0.38	-48.07
CC(C)CC(NC(=O)C1=CC(N)=CC=N1)C1=NN=N[N-]1	REAL250004598697	1	36	-1.0	-48.47	303.84	0.39	-48.08
CC(C)CC(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004598698	0	42	-1.0	-45.39	340.68	5.68	-39.71
CC(C)CC(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004598698	1	42	-1.0	-45.41	340.74	5.69	-39.72
C=CC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598699	0	41	-1.0	-44.01	317.96	4.14	-39.87
C=CC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598699	1	41	-1.0	-44.03	318.02	4.15	-39.88
CC(C)CC(NC(=O)COC1CC1)C1=N[N-]N=N1	REAL250004598700	0	36	-1.0	-49.25	301.05	2.96	-46.29
CC(C)CC(NC(=O)COC1CC1)C1=NN=N[N-]1	REAL250004598700	1	36	-1.0	-49.25	301.11	2.98	-46.27
CC(C)CC(NC(=O)COC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004598701	0	38	-1.0	-49.70	322.55	2.23	-47.47
CC(C)CC(NC(=O)COC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004598701	1	38	-1.0	-49.71	322.49	2.21	-47.50
CC(C)CC(NC(=O)C1=CC(=O)C=CN1)C1=N[N-]N=N1	REAL250004598702	0	35	-1.0	-54.92	296.37	1.94	-52.98
CC(C)CC(NC(=O)C1=CC(=O)C=CN1)C1=NN=N[N-]1	REAL250004598702	1	35	-1.0	-54.95	296.43	1.96	-52.99
CC(C)CC(NC(=O)C1=CSN=C1)C1=NN=N[N-]1	REAL250004598703	0	31	-1.0	-43.51	277.25	1.82	-41.69
CC(C)CC(NC(=O)C1=CSN=C1)C1=N[N-]N=N1	REAL250004598703	1	31	-1.0	-43.49	277.19	1.80	-41.69
CC1=CN(C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598704	0	39	-1.0	-52.49	320.00	4.45	-48.04
CC1=CN(C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598704	1	39	-1.0	-52.53	320.06	4.46	-48.07
COC1=NC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598705	0	37	-1.0	-45.51	315.93	-0.96	-46.47
COC1=NC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598705	1	37	-1.0	-45.53	315.88	-0.97	-46.50
CC(C)CC(NC(=O)C1=CC=C(F)O1)C1=N[N-]N=N1	REAL250004598706	0	32	-1.0	-41.63	282.11	2.33	-39.30
CC(C)CC(NC(=O)C1=CC=C(F)O1)C1=NN=N[N-]1	REAL250004598706	1	32	-1.0	-41.69	282.16	2.35	-39.34
CC(C)CC(NC(=O)C1CC(C)CO1)C1=N[N-]N=N1	REAL250004598707	0	39	-1.0	-49.37	312.72	3.09	-46.28
CC(C)CC(NC(=O)C1CC(C)CO1)C1=NN=N[N-]1	REAL250004598707	1	39	-1.0	-49.40	312.78	3.11	-46.29
CC(C)CC(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004598708	0	43	-1.0	-45.17	340.91	3.65	-41.52
CC(C)CC(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004598708	1	43	-1.0	-45.18	340.97	3.67	-41.51
CC(C)CC(NC(=O)C1=CC=CC(O)=C1F)C1=N[N-]N=N1	REAL250004598709	0	36	-1.0	-53.50	306.84	1.43	-52.07
CC(C)CC(NC(=O)C1=CC=CC(O)=C1F)C1=NN=N[N-]1	REAL250004598709	1	36	-1.0	-53.45	306.89	1.44	-52.01
CC(C)CC(NC(=O)C1CCC(Cl)CC1)C1=N[N-]N=N1	REAL250004598710	0	41	-1.0	-44.31	333.86	4.94	-39.37
CC(C)CC(NC(=O)C1CCC(Cl)CC1)C1=NN=N[N-]1	REAL250004598710	1	41	-1.0	-44.33	333.92	4.96	-39.37
CC(C)CC(NC(=O)C1=CS(=O)CCC1)C1=N[N-]N=N1	REAL250004598711	0	38	-1.0	-55.12	316.00	1.47	-53.65
CC(C)CC(NC(=O)C1=CS(=O)CCC1)C1=NN=N[N-]1	REAL250004598711	1	38	-1.0	-55.12	316.06	1.49	-53.63
CC(C)CC(NC(=O)C1CCCC(=O)N1C)C1=N[N-]N=N1	REAL250004598712	0	42	-1.0	-51.22	330.31	2.45	-48.77
CC(C)CC(NC(=O)C1CCCC(=O)N1C)C1=NN=N[N-]1	REAL250004598712	1	42	-1.0	-51.16	330.37	2.46	-48.70
CCN1CCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598713	0	40	-1.0	-48.83	319.60	0.56	-48.27
CCN1CCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598713	1	40	-1.0	-48.85	319.66	0.57	-48.28
CC(C)CC(NC(=O)COC1=NSC=C1)C1=NN=N[N-]1	REAL250004598714	0	35	-1.0	-47.92	312.37	1.21	-46.71
CC(C)CC(NC(=O)COC1=NSC=C1)C1=N[N-]N=N1	REAL250004598714	1	35	-1.0	-47.94	312.31	1.19	-46.75
CCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004598715	0	37	-1.0	-45.37	313.63	3.03	-42.34
CCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004598715	1	37	-1.0	-45.34	313.68	3.05	-42.29
CC(C)CC(NC(=O)CC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004598716	0	45	-1.0	-50.73	352.61	3.67	-47.06
CC(C)CC(NC(=O)CC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004598716	1	45	-1.0	-50.70	352.67	3.69	-47.01
CC(C)CC(NC(=O)CCN1CCC(F)C1)C1=N[N-]N=N1	REAL250004598717	1	43	-1.0	-46.92	343.24	1.98	-44.94
CC(C)CC(NC(=O)CCN1CCC(F)C1)C1=NN=N[N-]1	REAL250004598717	1	43	-1.0	-46.94	343.30	1.99	-44.95
CC(C)CC(NC(=O)C1=CC=NC(CO)=C1)C1=N[N-]N=N1	REAL250004598718	0	38	-1.0	-49.60	317.52	-0.15	-49.75
CC(C)CC(NC(=O)C1=CC=NC(CO)=C1)C1=NN=N[N-]1	REAL250004598718	1	38	-1.0	-49.63	317.58	-0.14	-49.77
CC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1O	REAL250004598719	0	38	-1.0	-50.87	317.89	1.67	-49.20
CC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1O	REAL250004598719	1	38	-1.0	-50.90	317.94	1.69	-49.21
CC(C)CC(NC(=O)CCCCCO)C1=N[N-]N=N1	REAL250004598721	0	41	-1.0	-48.62	331.99	0.89	-47.73
CC(C)CC(NC(=O)CCCCCO)C1=NN=N[N-]1	REAL250004598721	1	41	-1.0	-48.56	332.04	0.90	-47.66
CCCCC(O)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598722	0	47	-1.0	-44.81	373.14	2.53	-42.28
CCCCC(O)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598722	1	47	-1.0	-44.81	373.20	2.55	-42.26
C=C1CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598723	0	42	-1.0	-44.94	329.63	4.85	-40.09
C=C1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598723	1	42	-1.0	-44.93	329.68	4.86	-40.07
CC(C)CC(NC(=O)C1CCC=CCCC1)C1=N[N-]N=N1	REAL250004598724	0	45	-1.0	-44.39	336.05	5.29	-39.10
CC(C)CC(NC(=O)C1CCC=CCCC1)C1=NN=N[N-]1	REAL250004598724	1	45	-1.0	-44.38	336.11	5.29	-39.09
CC(C)CC(NC(=O)C1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL250004598725	0	39	-1.0	-44.98	323.09	3.59	-41.39
CC(C)CC(NC(=O)C1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL250004598725	1	39	-1.0	-44.97	323.03	3.57	-41.40
CC1=CN=C(F)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598726	0	37	-1.0	-42.21	309.24	3.10	-39.11
CC1=CN=C(F)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598726	1	37	-1.0	-42.23	309.19	3.09	-39.14
CC(C)CC(NC(=O)C(C)C1CCCO1)C1=N[N-]N=N1	REAL250004598727	0	42	-1.0	-49.73	328.27	3.67	-46.06
CC(C)CC(NC(=O)C(C)C1CCCO1)C1=NN=N[N-]1	REAL250004598727	1	42	-1.0	-49.74	328.33	3.68	-46.06
CC(C)CC(NC(=O)CN1N=NC(N)=N1)C1=NN=N[N-]1	REAL250004598728	0	35	-1.0	-51.72	302.81	0.57	-51.15
CC(C)CC(NC(=O)CN1N=NC(N)=N1)C1=N[N-]N=N1	REAL250004598728	1	35	-1.0	-51.72	302.75	0.55	-51.17
CC(C)CC(NC(=O)C1=CC=NS1)C1=NN=N[N-]1	REAL250004598729	0	31	-1.0	-43.39	278.78	1.81	-41.58
CC(C)CC(NC(=O)C1=CC=NS1)C1=N[N-]N=N1	REAL250004598729	1	31	-1.0	-43.40	278.72	1.80	-41.60
COC(=O)[C@@H]1C[C@@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598730	0	38	-1.0	-57.13	317.38	3.74	-53.39
COC(=O)[C@@H]1C[C@@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598730	1	38	-1.0	-57.14	317.42	3.76	-53.38
CC(C)CC(NC(=O)CC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004598731	0	34	-1.0	-50.68	300.30	3.06	-47.62
CC(C)CC(NC(=O)CC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004598731	1	34	-1.0	-50.71	300.36	3.07	-47.64
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=N[N-]N=N1	REAL250004598732	0	42	-1.0	-59.56	335.21	-0.16	-59.72
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=NN=N[N-]1	REAL250004598732	1	42	-1.0	-59.59	335.27	-0.15	-59.74
CC(C)CC(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=N[N-]N=N1	REAL250004598733	0	42	-1.0	-45.97	328.38	4.74	-41.23
CC(C)CC(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=NN=N[N-]1	REAL250004598733	1	42	-1.0	-45.95	328.43	4.75	-41.20
C#CCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598734	0	34	-1.0	-48.91	306.41	3.70	-45.21
C#CCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598734	1	34	-1.0	-48.91	306.47	3.71	-45.20
CC(C)CC(NC(=O)C1=NC=CC=N1)C1=NN=N[N-]1	REAL250004598735	0	33	-1.0	-52.13	284.35	1.69	-50.44
CC(C)CC(NC(=O)C1=NC=CC=N1)C1=N[N-]N=N1	REAL250004598735	1	33	-1.0	-52.12	284.30	1.68	-50.44
CC(C)CC(NC(=O)C1C2CCC(=O)C21)C1=N[N-]N=N1	REAL250004598736	0	38	-1.0	-51.71	312.53	3.61	-48.10
CC(C)CC(NC(=O)C1C2CCC(=O)C21)C1=NN=N[N-]1	REAL250004598736	1	38	-1.0	-51.72	312.58	3.62	-48.10
CCOC1C(C)C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598737	0	42	-1.0	-51.74	335.53	3.44	-48.30
CCOC1C(C)C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598737	1	42	-1.0	-51.71	335.59	3.46	-48.25
CC(C)CC(NC(=O)CCN1C=NN=N1)C1=NN=N[N-]1	REAL250004598738	0	36	-1.0	-48.09	307.11	2.00	-46.09
CC(C)CC(NC(=O)CCN1C=NN=N1)C1=N[N-]N=N1	REAL250004598738	1	36	-1.0	-48.07	307.05	1.99	-46.08
CC(C)CC(NC(=O)CN1N=CC=C1N)C1=NN=N[N-]1	REAL250004598739	0	37	-1.0	-53.14	311.57	1.04	-52.10
CC(C)CC(NC(=O)CN1N=CC=C1N)C1=N[N-]N=N1	REAL250004598739	1	37	-1.0	-53.15	311.52	1.03	-52.12
CC(C)CC(NC(=O)CC1(O)CCOCC1)C1=N[N-]N=N1	REAL250004598740	0	43	-1.0	-42.82	331.59	0.73	-42.09
CC(C)CC(NC(=O)CC1(O)CCOCC1)C1=NN=N[N-]1	REAL250004598740	1	43	-1.0	-42.85	331.65	0.75	-42.10
CC(C)CC(NC(=O)C1=CC=C2NC=CC2=N1)C1=N[N-]N=N1	REAL250004598741	0	38	-1.0	-52.27	320.04	2.44	-49.83
CC(C)CC(NC(=O)C1=CC=C2NC=CC2=N1)C1=NN=N[N-]1	REAL250004598741	1	38	-1.0	-52.30	320.10	2.46	-49.84
CC(C)CC(NC(=O)C=CC1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004598742	0	39	-1.0	-52.03	330.56	4.82	-47.21
CC(C)CC(NC(=O)C=CC1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004598742	1	39	-1.0	-52.04	330.62	4.84	-47.20
CC(C)CC(NC(=O)CC1CC=CCC1)C1=N[N-]N=N1	REAL250004598743	0	42	-1.0	-45.60	328.19	5.02	-40.58
CC(C)CC(NC(=O)CC1CC=CCC1)C1=NN=N[N-]1	REAL250004598743	1	42	-1.0	-45.60	328.25	5.04	-40.56
CC(C)CC(NC(=O)C1=NN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004598745	0	37	-1.0	-47.60	317.41	1.56	-46.04
CC(C)CC(NC(=O)C1=NN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004598745	1	37	-1.0	-47.61	317.35	1.54	-46.07
CC(C)CC(NC(=O)C1CCC2(CC1)N=N2)C1=N[N-]N=N1	REAL250004598746	0	41	-1.0	-45.01	330.11	-1.00	-46.01
CC(C)CC(NC(=O)C1CCC2(CC1)N=N2)C1=NN=N[N-]1	REAL250004598746	1	41	-1.0	-44.97	330.17	-0.98	-45.95
CC(C)CC(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=N[N-]N=N1	REAL250004598747	0	45	-1.0	-44.86	340.48	5.66	-39.20
CC(C)CC(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=NN=N[N-]1	REAL250004598747	1	45	-1.0	-44.82	340.53	5.68	-39.14
C=C(CC(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598748	0	41	-1.0	-45.68	312.53	4.77	-40.91
C=C(CC(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598748	1	41	-1.0	-45.69	312.59	4.78	-40.91
CC(C)CC(NC(=O)C1=CC=C(C=O)C=N1)C1=NN=N[N-]1	REAL250004598749	0	36	-1.0	-49.55	312.09	2.20	-47.35
CC(C)CC(NC(=O)C1=CC=C(C=O)C=N1)C1=N[N-]N=N1	REAL250004598749	1	36	-1.0	-49.53	312.03	2.19	-47.34
CC(C)CC(NC(=O)C1=CN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004598750	0	38	-1.0	-48.78	320.39	3.32	-45.46
CC(C)CC(NC(=O)C1=CN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004598750	1	38	-1.0	-48.77	320.45	3.34	-45.43
CC(C)CC(NC(=O)C1=CN=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004598751	0	36	-1.0	-53.08	309.94	2.12	-50.96
CC(C)CC(NC(=O)C1=CN=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004598751	1	36	-1.0	-53.10	309.88	2.11	-50.99
CC(C)CC(NC(=O)C1=NC=CN1C(C)C)C1=NN=N[N-]1	REAL250004598752	0	41	-1.0	-47.38	333.56	4.11	-43.27
CC(C)CC(NC(=O)C1=NC=CN1C(C)C)C1=N[N-]N=N1	REAL250004598752	1	41	-1.0	-47.36	333.51	4.10	-43.26
CC1=CC=C(C#N)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598753	0	39	-1.0	-45.49	328.37	5.23	-40.26
CC1=CC=C(C#N)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598753	1	39	-1.0	-45.47	328.43	5.24	-40.23
CCC[C@H](O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598754	0	38	-1.0	-45.27	308.95	1.34	-43.93
CCC[C@H](O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598754	1	38	-1.0	-45.29	309.01	1.36	-43.93
CC(C)CC(NC(=O)C(F)(F)CO)C1=NN=N[N-]1	REAL250004598755	0	32	-1.0	-43.15	278.69	-1.15	-44.30
CC(C)CC(NC(=O)C(F)(F)CO)C1=N[N-]N=N1	REAL250004598755	1	32	-1.0	-43.12	278.63	-1.16	-44.28
CC1=NNC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598756	0	41	-1.0	-45.30	339.31	2.62	-42.68
CC1=NNC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598756	1	41	-1.0	-45.35	339.37	2.63	-42.72
CC(C)CC(NC(=O)C1=CC=C(CO)N=C1)C1=N[N-]N=N1	REAL250004598757	0	38	-1.0	-46.71	317.25	-0.17	-46.88
CC(C)CC(NC(=O)C1=CC=C(CO)N=C1)C1=NN=N[N-]1	REAL250004598757	1	38	-1.0	-46.68	317.30	-0.15	-46.83
CC(C)CC(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=N[N-]N=N1	REAL250004598758	0	43	-1.0	-43.01	339.63	-1.28	-44.29
CC(C)CC(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=NN=N[N-]1	REAL250004598758	1	43	-1.0	-42.99	339.68	-1.27	-44.26
C=C(CCC(=O)OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598759	0	41	-1.0	-48.56	343.11	3.97	-44.59
C=C(CCC(=O)OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598759	1	41	-1.0	-48.53	343.17	3.98	-44.55
CCOC=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598760	0	36	-1.0	-45.19	302.75	2.11	-43.08
CCOC=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598760	1	36	-1.0	-45.20	302.81	2.13	-43.07
CC(C)CC(NC(=O)CCC1=NC=CN1C)C1=N[N-]N=N1	REAL250004598761	0	41	-1.0	-50.81	338.04	3.98	-46.83
CC(C)CC(NC(=O)CCC1=NC=CN1C)C1=NN=N[N-]1	REAL250004598761	1	41	-1.0	-50.77	338.10	3.99	-46.78
CC(C)CC(NC(=O)C1=CN(CCO)N=C1)C1=NN=N[N-]1	REAL250004598762	0	39	-1.0	-47.55	329.58	-0.53	-48.08
CC(C)CC(NC(=O)C1=CN(CCO)N=C1)C1=N[N-]N=N1	REAL250004598762	1	39	-1.0	-47.54	329.52	-0.55	-48.09
CC1=COC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598763	0	34	-1.0	-49.05	292.61	-0.56	-49.61
CC1=COC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598763	1	34	-1.0	-49.08	292.67	-0.54	-49.62
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C=O)O1	REAL250004598764	0	37	-1.0	-45.62	316.30	2.77	-42.85
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C=O)O1	REAL250004598764	1	37	-1.0	-45.62	316.36	2.78	-42.84
CC(C)CC(NC(=O)C1=CC2=CNC=CC2=N1)C1=N[N-]N=N1	REAL250004598765	0	38	-1.0	-69.58	321.25	2.48	-67.10
CC(C)CC(NC(=O)C1=CC2=CNC=CC2=N1)C1=NN=N[N-]1	REAL250004598765	1	38	-1.0	-69.54	321.31	2.50	-67.04
C=CC(CC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598766	0	41	-1.0	-45.28	327.00	4.43	-40.85
C=CC(CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598766	1	41	-1.0	-45.27	327.05	4.44	-40.83
CC(C)CC(NC(=O)C1=CC2=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004598767	0	38	-1.0	-51.21	320.80	5.71	-45.50
CC(C)CC(NC(=O)C1=CC2=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004598767	1	38	-1.0	-51.28	320.74	5.69	-45.59
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598768	0	41	-1.0	-47.05	344.19	4.25	-42.80
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598768	1	41	-1.0	-47.07	344.25	4.27	-42.80
CC1=CC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004598769	0	40	-1.0	-48.10	334.39	3.80	-44.30
CC1=CC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004598769	1	40	-1.0	-48.15	334.44	3.82	-44.33
CCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL250004598771	0	37	-1.0	-47.01	314.15	1.39	-45.62
CCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL250004598771	1	37	-1.0	-46.98	314.09	1.38	-45.60
CC[C@@H]1OCC[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598772	0	42	-1.0	-45.49	333.09	2.78	-42.71
CC[C@@H]1OCC[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598772	1	42	-1.0	-45.50	333.15	2.79	-42.71
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC=N1	REAL250004598773	0	37	-1.0	-44.21	316.14	0.71	-43.50
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC=N1	REAL250004598773	1	37	-1.0	-44.19	316.08	0.69	-43.50
CC(C)CC(NC(=O)[C@@H]1CSCC(=O)N1)C1=N[N-]N=N1	REAL250004598774	0	37	-1.0	-44.87	315.92	0.50	-44.37
CC(C)CC(NC(=O)[C@@H]1CSCC(=O)N1)C1=NN=N[N-]1	REAL250004598774	1	37	-1.0	-44.89	315.97	0.52	-44.37
CC(C)CC(NC(=O)CC(C)(C)C(F)F)C1=N[N-]N=N1	REAL250004598776	0	40	-1.0	-42.98	319.29	3.91	-39.07
CC(C)CC(NC(=O)CC(C)(C)C(F)F)C1=NN=N[N-]1	REAL250004598776	1	40	-1.0	-43.01	319.35	3.93	-39.08
CC(C)CC(NC(=O)[C@H]1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004598777	0	39	-1.0	-51.02	319.98	2.21	-48.81
CC(C)CC(NC(=O)[C@H]1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004598777	1	39	-1.0	-51.02	320.04	2.22	-48.80
CC(C)CC(NC(=O)C1CCCCC1F)C1=N[N-]N=N1	REAL250004598778	0	41	-1.0	-47.03	321.69	4.42	-42.61
CC(C)CC(NC(=O)C1CCCCC1F)C1=NN=N[N-]1	REAL250004598778	1	41	-1.0	-47.01	321.75	4.43	-42.58
CC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(C)=C1	REAL250004598779	0	40	-1.0	-47.39	326.27	3.78	-43.61
CC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(C)=C1	REAL250004598779	1	40	-1.0	-47.38	326.22	3.76	-43.62
CC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C	REAL250004598780	0	40	-1.0	-48.28	327.41	3.68	-44.60
CC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C	REAL250004598780	1	40	-1.0	-48.30	327.47	3.70	-44.60
CC(C)CC(NC(=O)C1CCC2=CNN=C21)C1=N[N-]N=N1	REAL250004598781	0	39	-1.0	-48.43	317.86	2.32	-46.11
CC(C)CC(NC(=O)C1CCC2=CNN=C21)C1=NN=N[N-]1	REAL250004598781	1	39	-1.0	-48.43	317.92	2.34	-46.09
CC(C)CC(NC(=O)CC1CCCOCC1)C1=N[N-]N=N1	REAL250004598782	0	45	-1.0	-45.63	339.03	3.14	-42.49
CC(C)CC(NC(=O)CC1CCCOCC1)C1=NN=N[N-]1	REAL250004598782	1	45	-1.0	-45.60	339.08	3.16	-42.44
C=CCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL250004598783	0	39	-1.0	-46.99	330.91	3.35	-43.64
C=CCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL250004598783	1	39	-1.0	-46.94	330.85	3.33	-43.61
CC(C)CC(NC(=O)CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004598784	0	37	-1.0	-61.80	312.20	1.40	-60.40
CC(C)CC(NC(=O)CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004598784	1	37	-1.0	-61.76	312.26	1.42	-60.34
CC1=NOC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598785	0	40	-1.0	-47.08	334.41	3.85	-43.23
CC1=NOC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598785	1	40	-1.0	-47.13	334.46	3.87	-43.26
CC(C)CC(NC(=O)CC1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004598786	0	47	-1.0	-46.43	359.09	5.52	-40.91
CC(C)CC(NC(=O)CC1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004598786	1	47	-1.0	-46.43	359.14	5.53	-40.90
CC(C)CC(NC(=O)C1=CC(F)=CC=C1N)C1=N[N-]N=N1	REAL250004598787	0	37	-1.0	-43.19	307.72	2.49	-40.70
CC(C)CC(NC(=O)C1=CC(F)=CC=C1N)C1=NN=N[N-]1	REAL250004598787	1	37	-1.0	-43.24	307.78	2.50	-40.74
CC(C)CC(NC(=O)CC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004598788	0	36	-1.0	-48.37	305.81	2.86	-45.51
CC(C)CC(NC(=O)CC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004598788	1	36	-1.0	-48.38	305.76	2.84	-45.54
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CN=N1	REAL250004598789	0	36	-1.0	-43.51	303.26	1.97	-41.54
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CN=N1	REAL250004598789	1	36	-1.0	-43.49	303.32	1.98	-41.51
CC[C@H](C)[C@H](O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598790	0	41	-1.0	-45.80	322.00	1.88	-43.92
CC[C@H](C)[C@H](O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598790	1	41	-1.0	-45.82	322.05	1.89	-43.93
CC(C)CC(NC(=O)C(CC(C)C)C(C)C)C1=N[N-]N=N1	REAL250004598791	0	49	-1.0	-46.85	364.68	5.81	-41.04
CC(C)CC(NC(=O)C(CC(C)C)C(C)C)C1=NN=N[N-]1	REAL250004598791	1	49	-1.0	-46.85	364.74	5.82	-41.03
CC(C)CC(NC(=O)C1=CC=C(F)C(O)=C1)C1=N[N-]N=N1	REAL250004598792	0	36	-1.0	-46.01	308.77	1.41	-44.60
CC(C)CC(NC(=O)C1=CC=C(F)C(O)=C1)C1=NN=N[N-]1	REAL250004598792	1	36	-1.0	-46.07	308.83	1.42	-44.65
CC(C)CC(NC(=O)[C@H](C)N1C=NN=N1)C1=NN=N[N-]1	REAL250004598796	0	36	-1.0	-48.27	303.60	1.83	-46.44
CC(C)CC(NC(=O)[C@H](C)N1C=NN=N1)C1=N[N-]N=N1	REAL250004598796	1	36	-1.0	-48.29	303.55	1.82	-46.47
CNC(=O)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598797	0	38	-1.0	-45.90	315.68	0.20	-45.70
CNC(=O)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598797	1	38	-1.0	-45.93	315.74	0.22	-45.71
C=C(F)C1(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CCC1	REAL250004598798	0	42	-1.0	-43.63	334.25	4.86	-38.77
C=C(F)C1(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CCC1	REAL250004598798	1	42	-1.0	-43.69	334.31	4.88	-38.81
CC(C)CC(NC(=O)CC(O)C1CCCC1)C1=N[N-]N=N1	REAL250004598799	0	45	-1.0	-48.52	347.54	3.15	-45.37
CC(C)CC(NC(=O)CC(O)C1CCCC1)C1=NN=N[N-]1	REAL250004598799	1	45	-1.0	-48.53	347.60	3.17	-45.36
CC(C)CC(NC(=O)COC1(C)CCCC1)C1=N[N-]N=N1	REAL250004598800	0	45	-1.0	-48.58	349.76	4.64	-43.94
CC(C)CC(NC(=O)COC1(C)CCCC1)C1=NN=N[N-]1	REAL250004598800	1	45	-1.0	-48.60	349.82	4.65	-43.95
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1F	REAL250004598801	0	37	-1.0	-46.23	315.50	3.06	-43.17
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1F	REAL250004598801	1	37	-1.0	-46.23	315.45	3.05	-43.18
CC(C)CC(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=N[N-]N=N1	REAL250004598802	0	40	-1.0	-44.26	318.10	2.73	-41.53
CC(C)CC(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=NN=N[N-]1	REAL250004598802	1	40	-1.0	-44.27	318.16	2.75	-41.52
CC(C)CC(NC(=O)CCC1CC1(C)C)C1=N[N-]N=N1	REAL250004598803	0	44	-1.0	-45.63	349.20	5.38	-40.25
CC(C)CC(NC(=O)CCC1CC1(C)C)C1=NN=N[N-]1	REAL250004598803	1	44	-1.0	-45.59	349.26	5.39	-40.20
CC(C)CC(NC(=O)C1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004598804	0	45	-1.0	-47.67	343.18	3.16	-44.51
CC(C)CC(NC(=O)C1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004598804	1	45	-1.0	-47.64	343.24	3.18	-44.46
COC1CCCC1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598805	0	42	-1.0	-50.54	331.42	2.89	-47.65
COC1CCCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598805	1	42	-1.0	-50.51	331.48	2.91	-47.60
CC(C)CC(NC(=O)C1CC2CCCC21)C1=N[N-]N=N1	REAL250004598806	0	42	-1.0	-45.38	320.62	4.92	-40.46
CC(C)CC(NC(=O)C1CC2CCCC21)C1=NN=N[N-]1	REAL250004598806	1	42	-1.0	-45.39	320.68	4.94	-40.45
COC(=O)[C@H]1C[C@@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598807	0	41	-1.0	-51.64	337.63	3.79	-47.85
COC(=O)[C@H]1C[C@@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598807	1	41	-1.0	-51.65	337.69	3.80	-47.85
CCC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CS1	REAL250004598808	0	37	-1.0	-47.09	322.17	2.63	-44.46
CCC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CS1	REAL250004598808	1	37	-1.0	-47.09	322.23	2.64	-44.45
CC(C)CC(NC(=O)C1=NNC=C1C1CC1)C1=N[N-]N=N1	REAL250004598809	0	39	-1.0	-50.90	322.65	2.76	-48.14
CC(C)CC(NC(=O)C1=NNC=C1C1CC1)C1=NN=N[N-]1	REAL250004598809	1	39	-1.0	-50.88	322.71	2.78	-48.10
CC(C)CC(NC(=O)C1CCC2CC2CC1)C1=N[N-]N=N1	REAL250004598810	0	45	-1.0	-46.34	340.67	5.64	-40.70
CC(C)CC(NC(=O)C1CCC2CC2CC1)C1=NN=N[N-]1	REAL250004598810	1	45	-1.0	-46.33	340.73	5.66	-40.67
CC(C)CC(NC(=O)CC1CCC=CCC1)C1=N[N-]N=N1	REAL250004598811	0	45	-1.0	-45.79	342.07	5.53	-40.26
CC(C)CC(NC(=O)CC1CCC=CCC1)C1=NN=N[N-]1	REAL250004598811	1	45	-1.0	-45.81	342.13	5.54	-40.27
CC(C)CC(NC(=O)C1=CCCOCC1)C1=N[N-]N=N1	REAL250004598812	0	40	-1.0	-46.44	314.37	2.66	-43.78
CC(C)CC(NC(=O)C1=CCCOCC1)C1=NN=N[N-]1	REAL250004598812	1	40	-1.0	-46.49	314.42	2.67	-43.82
CC(C)CC(NC(=O)C1=CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004598813	0	45	-1.0	-46.03	343.37	5.38	-40.65
CC(C)CC(NC(=O)C1=CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004598813	1	45	-1.0	-46.03	343.43	5.39	-40.64
CC(C)CC(NC(=O)C=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004598814	0	38	-1.0	-47.05	320.87	3.62	-43.43
CC(C)CC(NC(=O)C=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004598814	1	38	-1.0	-47.04	320.93	3.64	-43.40
CC(C)CC(NC(=O)C1=CC=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004598815	0	39	-1.0	-45.83	329.13	4.61	-41.22
CC(C)CC(NC(=O)C1=CC=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004598815	1	39	-1.0	-45.81	329.19	4.62	-41.19
CC(C)CC(NC(=O)CCC1(C)CC1)C1=N[N-]N=N1	REAL250004598816	0	41	-1.0	-45.23	325.62	4.57	-40.66
CC(C)CC(NC(=O)CCC1(C)CC1)C1=NN=N[N-]1	REAL250004598816	1	41	-1.0	-45.20	325.68	4.57	-40.63
CC(C)CC(NC(=O)C1=COC(C=O)=C1)C1=N[N-]N=N1	REAL250004598817	0	34	-1.0	-52.08	298.20	1.97	-50.11
CC(C)CC(NC(=O)C1=COC(C=O)=C1)C1=NN=N[N-]1	REAL250004598817	1	34	-1.0	-52.12	298.26	1.98	-50.14
CC(C)CC(NC(=O)C1=CN=C(N)O1)C1=NN=N[N-]1	REAL250004598818	0	33	-1.0	-45.70	285.72	-3.02	-48.72
CC(C)CC(NC(=O)C1=CN=C(N)O1)C1=N[N-]N=N1	REAL250004598818	1	33	-1.0	-45.73	285.66	-3.03	-48.76
CC(C)CC(NC(=O)C1CCC1F)C1=N[N-]N=N1	REAL250004598819	0	35	-1.0	-43.27	289.48	3.23	-40.04
CC(C)CC(NC(=O)C1CCC1F)C1=NN=N[N-]1	REAL250004598819	1	35	-1.0	-43.23	289.54	3.24	-39.99
CC(C)CC(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=N[N-]N=N1	REAL250004598820	0	43	-1.0	-47.53	331.38	5.50	-42.03
CC(C)CC(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=NN=N[N-]1	REAL250004598820	1	43	-1.0	-47.56	331.45	5.52	-42.04
CC(C)CC(NC(=O)C1CC2CC2CC1C)C1=N[N-]N=N1	REAL250004598821	0	45	-1.0	-46.23	344.20	5.38	-40.85
CC(C)CC(NC(=O)C1CC2CC2CC1C)C1=NN=N[N-]1	REAL250004598821	1	45	-1.0	-46.26	344.25	5.40	-40.86
CC(C)CC(NC(=O)C1=CN(C)C=CC1=O)C1=N[N-]N=N1	REAL250004598822	0	38	-1.0	-59.75	315.62	3.71	-56.04
CC(C)CC(NC(=O)C1=CN(C)C=CC1=O)C1=NN=N[N-]1	REAL250004598822	1	38	-1.0	-59.76	315.68	3.73	-56.03
CCC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004598823	0	38	-1.0	-47.11	316.85	2.19	-44.92
CCC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004598823	1	38	-1.0	-47.08	316.91	2.20	-44.88
CC(C)CC(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004598824	0	39	-1.0	-46.72	325.99	5.41	-41.31
CC(C)CC(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004598824	1	39	-1.0	-46.77	326.05	5.43	-41.34
CC(C)CC(NC(=O)C1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004598825	1	36	-1.0	-48.88	306.51	2.79	-46.09
CC(C)CC(NC(=O)C1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004598825	1	36	-1.0	-48.89	306.57	2.81	-46.08
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004598826	0	45	-1.0	-45.45	336.77	5.47	-39.98
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004598826	1	45	-1.0	-45.46	336.83	5.48	-39.98
CC(C)CC(NC(=O)C1=CC=C(CO)C=N1)C1=NN=N[N-]1	REAL250004598827	0	38	-1.0	-48.67	321.59	-0.20	-48.87
CC(C)CC(NC(=O)C1=CC=C(CO)C=N1)C1=N[N-]N=N1	REAL250004598827	1	38	-1.0	-48.67	321.54	-0.22	-48.89
CC1=NOC=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598828	0	37	-1.0	-47.83	312.99	2.85	-44.98
CC1=NOC=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598828	1	37	-1.0	-47.85	313.04	2.86	-44.99
CCN1C(=O)NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598829	0	39	-1.0	-49.39	323.20	1.81	-47.58
CCN1C(=O)NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598829	1	39	-1.0	-49.38	323.26	1.83	-47.55
CNC1=NC=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598830	0	39	-1.0	-46.40	318.26	2.73	-43.67
CNC1=NC=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598830	1	39	-1.0	-46.39	318.31	2.74	-43.65
COC1(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL250004598831	0	39	-1.0	-47.67	316.25	2.19	-45.48
COC1(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL250004598831	1	39	-1.0	-47.61	316.31	2.20	-45.41
CC(C)CC(NC(=O)CC1CCC2CC2C1)C1=N[N-]N=N1	REAL250004598832	0	45	-1.0	-45.47	343.66	5.73	-39.74
CC(C)CC(NC(=O)CC1CCC2CC2C1)C1=NN=N[N-]1	REAL250004598832	1	45	-1.0	-45.45	343.72	5.75	-39.70
CC1=NSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598833	0	34	-1.0	-43.37	300.43	2.39	-40.98
CC1=NSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598833	1	34	-1.0	-43.35	300.49	2.41	-40.94
C=C(CCC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598834	0	38	-1.0	-45.36	309.19	3.91	-41.45
C=C(CCC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598834	1	38	-1.0	-45.39	309.25	3.92	-41.47
C#CC1(O)CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598835	0	38	-1.0	-47.49	320.52	0.88	-46.61
C#CC1(O)CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598835	1	38	-1.0	-47.50	320.57	0.90	-46.60
CC(C)CC(NC(=O)C1=C2C=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004598836	0	38	-1.0	-56.54	319.77	5.51	-51.03
CC(C)CC(NC(=O)C1=C2C=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004598836	1	38	-1.0	-56.53	319.71	5.50	-51.03
CCOCCOCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598838	0	45	-1.0	-46.47	367.08	2.15	-44.32
CCOCCOCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598838	1	45	-1.0	-46.42	367.14	2.17	-44.25
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CF)C1=N[N-]N=N1	REAL250004598839	0	35	-1.0	-47.01	294.66	3.43	-43.58
CC(C)CC(NC(=O)[C@@H]1C[C@H]1CF)C1=NN=N[N-]1	REAL250004598839	1	35	-1.0	-47.00	294.72	3.44	-43.56
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=N[N-]N=N1	REAL250004598840	0	43	-1.0	-49.85	344.68	3.59	-46.26
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=NN=N[N-]1	REAL250004598840	1	43	-1.0	-49.83	344.74	3.61	-46.22
CC1=CSC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598841	0	38	-1.0	-47.03	327.99	4.62	-42.41
CC1=CSC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598841	1	38	-1.0	-47.04	328.05	4.63	-42.41
CC(C)CC(NC(=O)C#CC1CCCOC1)C1=N[N-]N=N1	REAL250004598842	0	41	-1.0	-45.46	338.06	3.41	-42.05
CC(C)CC(NC(=O)C#CC1CCCOC1)C1=NN=N[N-]1	REAL250004598842	1	41	-1.0	-45.44	338.12	3.43	-42.01
CC(C)CC(NC(=O)C1CC=CCO1)C1=N[N-]N=N1	REAL250004598844	0	37	-1.0	-48.48	302.18	3.09	-45.39
CC(C)CC(NC(=O)C1CC=CCO1)C1=NN=N[N-]1	REAL250004598844	1	37	-1.0	-48.44	302.24	3.11	-45.33
CC(C)CC(NC(=O)CC1CC(F)C1)C1=N[N-]N=N1	REAL250004598845	0	38	-1.0	-44.46	310.57	4.01	-40.45
CC(C)CC(NC(=O)CC1CC(F)C1)C1=NN=N[N-]1	REAL250004598845	1	38	-1.0	-44.43	310.63	4.03	-40.40
CC(C)CC(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004598846	0	39	-1.0	-44.16	328.41	4.70	-39.46
CC(C)CC(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004598846	1	39	-1.0	-44.18	328.47	4.71	-39.47
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC(C=O)=C1	REAL250004598847	0	38	-1.0	-47.72	320.85	2.27	-45.45
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC(C=O)=C1	REAL250004598847	1	38	-1.0	-47.71	320.90	2.28	-45.43
CC(C)CC(NC(=O)C1CCS1(=O)=O)C1=N[N-]N=N1	REAL250004598848	0	35	-1.0	-51.11	301.86	-0.89	-52.00
CC(C)CC(NC(=O)C1CCS1(=O)=O)C1=NN=N[N-]1	REAL250004598848	1	35	-1.0	-51.15	301.92	-0.88	-52.03
CC(C)CC(NC(=O)CC(O)C1CC1)C1=N[N-]N=N1	REAL250004598849	0	39	-1.0	-48.49	319.07	1.72	-46.77
CC(C)CC(NC(=O)CC(O)C1CC1)C1=NN=N[N-]1	REAL250004598849	1	39	-1.0	-48.46	319.13	1.74	-46.72
CC1=NSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1N	REAL250004598850	0	36	-1.0	-44.06	309.41	0.54	-43.52
CC1=NSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1N	REAL250004598850	1	36	-1.0	-44.08	309.47	0.56	-43.52
CC(C)CC(NC(=O)C=CC1=NC=CS1)C1=N[N-]N=N1	REAL250004598851	0	35	-1.0	-45.38	313.67	2.70	-42.68
CC(C)CC(NC(=O)C=CC1=NC=CS1)C1=NN=N[N-]1	REAL250004598851	1	35	-1.0	-45.39	313.72	2.71	-42.68
COC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CS1	REAL250004598852	0	36	-1.0	-52.07	312.72	3.58	-48.49
COC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CS1	REAL250004598852	1	36	-1.0	-52.09	312.78	3.59	-48.50
CC(C)CC(NC(=O)C1C(F)(F)C12CCC2)C1=N[N-]N=N1	REAL250004598853	0	39	-1.0	-48.09	324.86	4.72	-43.37
CC(C)CC(NC(=O)C1C(F)(F)C12CCC2)C1=NN=N[N-]1	REAL250004598853	1	39	-1.0	-48.07	324.91	4.74	-43.33
C=C(C)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598854	0	41	-1.0	-45.53	333.53	4.63	-40.90
C=C(C)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598854	1	41	-1.0	-45.53	333.59	4.64	-40.89
CCCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(=O)OC	REAL250004598855	0	43	-1.0	-51.08	347.01	4.26	-46.82
CCCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(=O)OC	REAL250004598855	1	43	-1.0	-51.09	347.07	4.28	-46.81
CC(C)CC(NC(=O)CCC[N+](=O)[O-])C1=N[N-]N=N1	REAL250004598856	0	36	-1.0	-50.97	306.67	3.07	-47.90
CC(C)CC(NC(=O)CCC[N+](=O)[O-])C1=NN=N[N-]1	REAL250004598856	1	36	-1.0	-50.96	306.72	3.09	-47.87
CC(C)CC(NC(=O)C1=CC(C)(C)C1)C1=N[N-]N=N1	REAL250004598857	0	39	-1.0	-46.57	318.96	4.37	-42.20
CC(C)CC(NC(=O)C1=CC(C)(C)C1)C1=NN=N[N-]1	REAL250004598857	1	39	-1.0	-46.52	319.02	4.38	-42.14
CC(C)CC(NC(=O)C#CC1CCCCC1)C1=N[N-]N=N1	REAL250004598858	0	43	-1.0	-45.39	347.08	5.84	-39.55
CC(C)CC(NC(=O)C#CC1CCCCC1)C1=NN=N[N-]1	REAL250004598858	1	43	-1.0	-45.35	347.14	5.86	-39.49
CC(C)CC(NC(=O)C1=C(Cl)C=NN1)C1=N[N-]N=N1	REAL250004598859	0	32	-1.0	-43.77	288.33	1.17	-42.60
CC(C)CC(NC(=O)C1=C(Cl)C=NN1)C1=NN=N[N-]1	REAL250004598859	1	32	-1.0	-43.76	288.39	1.19	-42.57
CC(C)CC(NC(=O)C(O)C1(O)CCC1)C1=N[N-]N=N1	REAL250004598860	0	40	-1.0	-48.34	321.12	-1.16	-49.50
CC(C)CC(NC(=O)C(O)C1(O)CCC1)C1=NN=N[N-]1	REAL250004598860	1	40	-1.0	-48.34	321.18	-1.14	-49.48
CC(C)CC(NC(=O)C(F)(F)C(C)O)C1=N[N-]N=N1	REAL250004598862	0	35	-1.0	-41.83	296.25	0.95	-40.88
CC(C)CC(NC(=O)C(F)(F)C(C)O)C1=NN=N[N-]1	REAL250004598862	1	35	-1.0	-41.82	296.31	0.97	-40.85
CC(C)CC(NC(=O)C(C)CN1C=CN=C1)C1=N[N-]N=N1	REAL250004598863	0	41	-1.0	-44.69	333.88	4.94	-39.75
CC(C)CC(NC(=O)C(C)CN1C=CN=C1)C1=NN=N[N-]1	REAL250004598863	1	41	-1.0	-44.74	333.94	4.96	-39.78
C=C(C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598864	0	38	-1.0	-45.04	312.07	3.85	-41.19
C=C(C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598864	1	38	-1.0	-45.02	312.12	3.87	-41.15
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004598865	0	43	-1.0	-47.19	332.65	4.42	-42.77
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004598865	1	43	-1.0	-47.19	332.71	4.44	-42.75
CC(C)CC(NC(=O)C1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL250004598866	0	38	-1.0	-51.39	316.73	4.27	-47.12
CC(C)CC(NC(=O)C1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL250004598866	1	38	-1.0	-51.41	316.67	4.26	-47.15
CC(C)CC(NC(=O)C1=COC2=C1COC2)C1=N[N-]N=N1	REAL250004598867	0	37	-1.0	-49.55	310.94	1.63	-47.92
CC(C)CC(NC(=O)C1=COC2=C1COC2)C1=NN=N[N-]1	REAL250004598867	1	37	-1.0	-49.53	310.99	1.65	-47.88
CC(C)CC(NC(=O)CN1C=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004598868	0	36	-1.0	-54.91	317.66	2.73	-52.18
CC(C)CC(NC(=O)CN1C=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004598868	1	36	-1.0	-54.90	317.60	2.72	-52.18
CC(C)CC(NC(=O)CCC1=CON=C1)C1=NN=N[N-]1	REAL250004598869	0	37	-1.0	-45.06	312.56	3.05	-42.01
CC(C)CC(NC(=O)CCC1=CON=C1)C1=N[N-]N=N1	REAL250004598869	1	37	-1.0	-45.00	312.50	3.04	-41.96
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C	REAL250004598870	0	38	-1.0	-50.97	316.39	2.46	-48.51
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C	REAL250004598870	1	38	-1.0	-50.99	316.45	2.48	-48.51
CC(C)CC(NC(=O)C1C2CCOCC21)C1=N[N-]N=N1	REAL250004598871	0	40	-1.0	-49.93	309.58	4.17	-45.76
CC(C)CC(NC(=O)C1C2CCOCC21)C1=NN=N[N-]1	REAL250004598871	1	40	-1.0	-49.90	309.64	4.17	-45.73
CC(C)CC(NC(=O)C(F)(F)CC1CC1)C1=N[N-]N=N1	REAL250004598872	0	38	-1.0	-40.90	319.89	4.34	-36.56
CC(C)CC(NC(=O)C(F)(F)CC1CC1)C1=NN=N[N-]1	REAL250004598872	1	38	-1.0	-40.91	319.95	4.35	-36.56
CC(C)CC(NC(=O)C#CC1CCCO1)C1=N[N-]N=N1	REAL250004598873	0	38	-1.0	-46.20	320.27	2.80	-43.40
CC(C)CC(NC(=O)C#CC1CCCO1)C1=NN=N[N-]1	REAL250004598873	1	38	-1.0	-48.17	320.33	2.81	-45.36
COC1=NOC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598874	0	38	-1.0	-50.97	324.06	0.43	-50.54
COC1=NOC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598874	1	38	-1.0	-50.98	324.11	0.45	-50.53
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C)O1	REAL250004598875	0	41	-1.0	-46.39	336.52	4.58	-41.81
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C)O1	REAL250004598875	1	41	-1.0	-46.41	336.58	4.59	-41.82
CC(C)CC(NC(=O)C1=CC=C(Cl)N1)C1=N[N-]N=N1	REAL250004598876	0	33	-1.0	-43.44	295.63	2.40	-41.04
CC(C)CC(NC(=O)C1=CC=C(Cl)N1)C1=NN=N[N-]1	REAL250004598876	1	33	-1.0	-43.44	295.69	2.41	-41.03
CC1=C(C)NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598877	0	39	-1.0	-48.36	320.10	3.14	-45.22
CC1=C(C)NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598877	1	39	-1.0	-48.30	320.16	3.16	-45.14
CCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL250004598878	0	41	-1.0	-45.86	336.57	4.55	-41.31
CCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL250004598878	1	41	-1.0	-45.85	336.62	4.57	-41.28
CC(C)CC(NC(=O)C1(F)CCOC1C)C1=N[N-]N=N1	REAL250004598879	0	39	-1.0	-44.23	316.96	1.97	-42.26
CC(C)CC(NC(=O)C1(F)CCOC1C)C1=NN=N[N-]1	REAL250004598879	1	39	-1.0	-44.27	317.02	1.99	-42.28
CCC(C)(C)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598880	0	49	-1.0	-45.40	368.57	5.59	-39.81
CCC(C)(C)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598880	1	49	-1.0	-45.38	368.62	5.61	-39.77
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=N1	REAL250004598881	0	37	-1.0	-45.35	309.92	0.25	-45.10
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=N1	REAL250004598881	1	37	-1.0	-45.39	309.98	0.28	-45.11
CC(C)CC(NC(=O)C1=CCCS1)C1=N[N-]N=N1	REAL250004598882	0	34	-1.0	-47.25	293.21	3.40	-43.85
CC(C)CC(NC(=O)C1=CCCS1)C1=NN=N[N-]1	REAL250004598882	1	34	-1.0	-47.24	293.27	3.41	-43.83
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004598883	0	41	-1.0	-45.09	323.66	4.41	-40.68
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004598883	1	41	-1.0	-45.09	323.72	4.43	-40.66
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=CS1	REAL250004598884	0	34	-1.0	-47.34	297.08	2.00	-45.34
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=CS1	REAL250004598884	1	34	-1.0	-47.39	297.02	1.99	-45.40
CSC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004598885	0	41	-1.0	-44.85	336.76	4.11	-40.74
CSC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004598885	1	41	-1.0	-44.87	336.82	4.11	-40.76
CC(C)CC(NC(=O)C1CC(F)C1)C1=N[N-]N=N1	REAL250004598886	0	35	-1.0	-44.62	289.45	3.22	-41.40
CC(C)CC(NC(=O)C1CC(F)C1)C1=NN=N[N-]1	REAL250004598886	1	35	-1.0	-44.66	289.51	3.24	-41.42
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(C)=N1	REAL250004598887	0	40	-1.0	-45.53	329.95	3.63	-41.90
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(C)=N1	REAL250004598887	1	40	-1.0	-45.56	330.01	3.64	-41.92
CC(C)CC(NC(=O)CC1(O)CCCOC1)C1=N[N-]N=N1	REAL250004598888	0	43	-1.0	-49.95	335.22	0.95	-49.00
CC(C)CC(NC(=O)CC1(O)CCCOC1)C1=NN=N[N-]1	REAL250004598888	1	43	-1.0	-49.96	335.27	0.97	-48.99
CC(C)CC(NC(=O)C1=C(C#N)C=NN1)C1=N[N-]N=N1	REAL250004598889	0	33	-1.0	-47.57	293.22	0.89	-46.68
CC(C)CC(NC(=O)C1=C(C#N)C=NN1)C1=NN=N[N-]1	REAL250004598889	1	33	-1.0	-47.62	293.28	0.90	-46.72
CC(C)CC(NC(=O)C1=NNC=C1C#N)C1=NN=N[N-]1	REAL250004598889	1	33	-1.0	-55.50	294.64	1.14	-54.36
CC(C)CC(NC(=O)C1=NNC=C1C#N)C1=N[N-]N=N1	REAL250004598889	1	33	-1.0	-55.55	294.59	1.12	-54.43
CC(C)CC(NC(=O)C=CC1=COC=N1)C1=N[N-]N=N1	REAL250004598890	0	35	-1.0	-49.00	303.95	0.19	-48.81
CC(C)CC(NC(=O)C=CC1=COC=N1)C1=NN=N[N-]1	REAL250004598890	1	35	-1.0	-48.98	304.01	0.20	-48.78
CC(C)CC(NC(=O)CCC1=NNC=C1)C1=N[N-]N=N1	REAL250004598891	0	38	-1.0	-48.96	317.38	2.01	-46.95
CC(C)CC(NC(=O)CCC1=NNC=C1)C1=NN=N[N-]1	REAL250004598891	1	38	-1.0	-48.96	317.43	2.03	-46.93
CCC1=CNC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598892	0	39	-1.0	-52.64	319.23	3.48	-49.16
CCC1=CNC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598892	1	39	-1.0	-52.59	319.29	3.49	-49.10
CC(C)CC(NC(=O)CC1(O)CCOC1)C1=N[N-]N=N1	REAL250004598893	0	40	-1.0	-46.09	316.70	-0.10	-46.19
CC(C)CC(NC(=O)CC1(O)CCOC1)C1=NN=N[N-]1	REAL250004598893	1	40	-1.0	-46.12	316.76	-0.09	-46.21
CC(C)CC(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004598894	0	39	-1.0	-45.47	324.10	1.92	-43.55
CC(C)CC(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004598894	1	39	-1.0	-45.44	324.16	1.94	-43.50
CC(C)CC(NC(=O)C=CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004598895	0	40	-1.0	-45.32	339.61	1.71	-43.61
CC(C)CC(NC(=O)C=CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004598895	1	40	-1.0	-45.32	339.66	1.73	-43.59
CC(C)CC(NC(=O)CC1=CNN=C1)C1=NN=N[N-]1	REAL250004598896	0	35	-1.0	-50.14	296.03	1.33	-48.81
CC(C)CC(NC(=O)CC1=CNN=C1)C1=N[N-]N=N1	REAL250004598896	1	35	-1.0	-50.15	295.97	1.32	-48.83
CC1=CN(C(C)C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL250004598897	0	41	-1.0	-47.55	336.84	3.45	-44.10
CC1=CN(C(C)C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL250004598897	1	41	-1.0	-47.56	336.78	3.44	-44.12
CC(C)CC(NC(=O)COC1=NOC=C1)C1=NN=N[N-]1	REAL250004598898	0	35	-1.0	-49.96	302.99	0.86	-49.10
CC(C)CC(NC(=O)COC1=NOC=C1)C1=N[N-]N=N1	REAL250004598898	1	35	-1.0	-49.93	302.93	0.84	-49.09
CC(C)CC(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=N[N-]N=N1	REAL250004598899	0	43	-1.0	-45.00	325.28	2.91	-42.09
CC(C)CC(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=NN=N[N-]1	REAL250004598899	1	43	-1.0	-45.02	325.33	2.93	-42.09
CC(C)CC(NC(=O)CC1(CO)CCC1)C1=N[N-]N=N1	REAL250004598900	0	42	-1.0	-44.73	328.48	0.98	-43.75
CC(C)CC(NC(=O)CC1(CO)CCC1)C1=NN=N[N-]1	REAL250004598900	1	42	-1.0	-44.72	328.54	0.99	-43.73
CCC(CCOC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598901	0	44	-1.0	-49.11	343.37	2.75	-46.36
CCC(CCOC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598901	1	44	-1.0	-49.11	343.43	2.77	-46.34
CC1=NC(N)=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598902	0	38	-1.0	-44.11	313.12	2.21	-41.90
CC1=NC(N)=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598902	1	38	-1.0	-44.12	313.18	2.22	-41.90
C=C(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)C	REAL250004598903	0	38	-1.0	-46.94	296.35	4.23	-42.71
C=C(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)C	REAL250004598903	1	38	-1.0	-46.97	296.41	4.25	-42.72
CC(C)CC(NC(=O)CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004598904	0	38	-1.0	-49.21	316.38	2.34	-46.87
CC(C)CC(NC(=O)CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004598904	1	38	-1.0	-49.21	316.44	2.35	-46.86
CC(C)CC(NC(=O)C#CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004598905	0	41	-1.0	-47.55	340.19	3.41	-44.14
CC(C)CC(NC(=O)C#CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004598905	1	41	-1.0	-47.56	340.24	3.43	-44.13
CC(C)CC(NC(=O)C1CSC(=O)N1)C1=N[N-]N=N1	REAL250004598906	0	34	-1.0	-49.90	297.84	-0.39	-50.29
CC(C)CC(NC(=O)C1CSC(=O)N1)C1=NN=N[N-]1	REAL250004598906	1	34	-1.0	-49.91	297.90	-0.38	-50.29
CC(C)CC(NC(=O)C1=CC(C(N)=O)=NN1)C1=N[N-]N=N1	REAL250004598907	0	36	-1.0	-47.75	311.82	-2.72	-50.47
CC(C)CC(NC(=O)C1=NNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004598907	1	36	-1.0	-52.09	311.83	-2.71	-54.80
CC(C)CC(NC(=O)C1=CC(C(N)=O)=NN1)C1=NN=N[N-]1	REAL250004598907	1	36	-1.0	-47.74	311.88	-2.70	-50.44
CC(C)CC(NC(=O)C1=NNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004598907	1	36	-1.0	-52.13	311.88	-2.69	-54.82
CC(C)CC(NC(=O)CC1CC(O)C1(C)C)C1=N[N-]N=N1	REAL250004598908	0	45	-1.0	-45.26	351.27	1.62	-43.64
CC(C)CC(NC(=O)CC1CC(O)C1(C)C)C1=NN=N[N-]1	REAL250004598908	1	45	-1.0	-45.27	351.33	1.64	-43.63
CC(C)CC(NC(=O)C1=CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004598909	0	41	-1.0	-46.98	332.10	2.97	-44.01
CC(C)CC(NC(=O)C1=CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004598909	1	41	-1.0	-46.95	332.16	2.99	-43.96
CC(C)CC(NC(=O)C1=CC=NN1CCF)C1=NN=N[N-]1	REAL250004598910	0	38	-1.0	-45.14	314.83	2.80	-42.34
CC(C)CC(NC(=O)C1=CC=NN1CCF)C1=N[N-]N=N1	REAL250004598910	1	38	-1.0	-45.11	314.76	2.81	-42.30
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=CS1	REAL250004598911	0	37	-1.0	-47.34	317.33	2.75	-44.59
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=CS1	REAL250004598911	1	37	-1.0	-47.33	317.27	2.74	-44.59
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCO1	REAL250004598912	0	37	-1.0	-45.51	299.71	2.53	-42.98
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCO1	REAL250004598912	1	37	-1.0	-45.52	299.76	2.54	-42.98
CCCN1C=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598913	0	41	-1.0	-50.55	339.94	3.60	-46.95
CCCN1C=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598913	1	41	-1.0	-50.56	339.88	3.59	-46.97
CC(C)CC(NC(=O)[C@H](C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004598914	0	37	-1.0	-41.88	309.79	3.52	-38.36
CC(C)CC(NC(=O)[C@H](C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004598914	1	37	-1.0	-41.89	309.84	3.54	-38.35
CCN1C=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598915	0	39	-1.0	-46.44	317.64	4.49	-41.95
CCN1C=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598915	1	39	-1.0	-46.44	317.70	4.50	-41.94
CC(=CN1C=CN=N1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598916	0	38	-1.0	-45.83	315.70	2.75	-43.08
CC(=CN1C=CN=N1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598916	1	38	-1.0	-45.84	315.76	2.77	-43.07
CC(C)CC(NC(=O)C(F)=CC1CC1)C1=N[N-]N=N1	REAL250004598917	0	36	-1.0	-42.05	306.20	4.10	-37.95
CC(C)CC(NC(=O)C(F)=CC1CC1)C1=NN=N[N-]1	REAL250004598917	1	36	-1.0	-42.05	306.26	4.12	-37.93
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004598918	0	39	-1.0	-43.75	320.79	4.57	-39.18
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004598918	1	39	-1.0	-43.74	320.85	4.59	-39.15
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N(C)C=N1	REAL250004598919	0	38	-1.0	-49.56	318.57	3.82	-45.74
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N(C)C=N1	REAL250004598919	1	38	-1.0	-49.59	318.63	3.83	-45.76
COC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598920	0	36	-1.0	-43.37	306.93	-1.56	-44.93
COC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598920	1	36	-1.0	-43.34	306.99	-1.54	-44.88
CC(C)CC(NC(=O)C1NC(=O)CC1C)C1=N[N-]N=N1	REAL250004598921	0	39	-1.0	-49.22	318.93	0.34	-48.88
CC(C)CC(NC(=O)C1NC(=O)CC1C)C1=NN=N[N-]1	REAL250004598921	1	39	-1.0	-49.19	318.99	0.36	-48.83
COCC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598922	0	38	-1.0	-42.61	325.08	1.29	-41.32
COCC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598922	1	38	-1.0	-42.61	325.13	1.31	-41.30
CC(C)CC(NC(=O)C1CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004598923	0	43	-1.0	-46.35	338.69	3.00	-43.35
CC(C)CC(NC(=O)C1CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004598923	1	43	-1.0	-46.34	338.75	3.02	-43.32
CCC1(CC)CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598924	0	47	-1.0	-46.59	357.86	5.48	-41.11
CCC1(CC)CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598924	1	47	-1.0	-46.59	357.91	5.50	-41.09
CC(C)CC(NC(=O)CN1N=CN=N1)C1=NN=N[N-]1	REAL250004598925	0	33	-1.0	-51.59	286.55	1.05	-50.54
CC(C)CC(NC(=O)CN1N=CN=N1)C1=N[N-]N=N1	REAL250004598925	1	33	-1.0	-51.58	286.49	1.04	-50.54
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=N[N-]N=N1	REAL250004598926	0	45	-1.0	-49.16	344.59	5.48	-43.68
CC(C)CC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=NN=N[N-]1	REAL250004598926	1	45	-1.0	-49.24	344.65	5.50	-43.74
CC(C)=CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598927	0	41	-1.0	-45.19	329.06	4.58	-40.61
CC(C)=CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598927	1	41	-1.0	-45.25	329.12	4.60	-40.65
COC1=CC=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598928	0	38	-1.0	-50.35	314.14	2.91	-47.44
COC1=CC=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598928	1	38	-1.0	-50.38	314.20	2.93	-47.45
CC(=O)OCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598929	0	40	-1.0	-48.56	334.59	3.63	-44.93
CC(=O)OCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598929	1	40	-1.0	-48.56	334.65	3.64	-44.92
CC(C)CC(NC(=O)C1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL250004598930	0	38	-1.0	-49.40	325.02	2.99	-46.41
CC(C)CC(NC(=O)C1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL250004598930	1	38	-1.0	-49.38	324.97	2.97	-46.41
CC1=NC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL250004598931	0	37	-1.0	-47.54	322.88	2.83	-44.71
CC1=NC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL250004598931	1	37	-1.0	-47.55	322.93	2.84	-44.71
CC1=CNC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598932	0	41	-1.0	-48.93	338.78	2.96	-45.97
CC1=CNC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598932	1	41	-1.0	-48.91	338.84	2.97	-45.94
CCCC(CC)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598933	0	46	-1.0	-45.19	347.97	5.20	-39.99
CCCC(CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598933	1	46	-1.0	-45.20	348.03	5.21	-39.99
CC(C)CC(NC(=O)C1C(F)(F)C12CC2)C1=N[N-]N=N1	REAL250004598934	0	36	-1.0	-48.33	312.07	4.25	-44.08
CC(C)CC(NC(=O)C1C(F)(F)C12CC2)C1=NN=N[N-]1	REAL250004598934	1	36	-1.0	-48.37	312.13	4.26	-44.11
C=CCOC(=O)NCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598935	0	40	-1.0	-43.83	340.34	0.49	-43.34
C=CCOC(=O)NCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598935	1	40	-1.0	-43.84	340.39	0.51	-43.33
COCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=C1	REAL250004598936	0	39	-1.0	-45.72	327.93	2.03	-43.69
COCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=C1	REAL250004598936	1	39	-1.0	-45.69	327.99	2.04	-43.65
COC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004598937	0	38	-1.0	-46.62	316.11	1.66	-44.96
COC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004598937	1	38	-1.0	-46.65	316.05	1.65	-45.00
CC(C)CC(NC(=O)C[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004598938	0	37	-1.0	-48.59	307.26	-0.74	-49.33
CC(C)CC(NC(=O)C[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004598938	1	37	-1.0	-48.61	307.32	-0.73	-49.34
CC(C)CC(NC(=O)C1=NC=CN1C)C1=NN=N[N-]1	REAL250004598939	0	35	-1.0	-46.94	292.88	2.65	-44.29
CC(C)CC(NC(=O)C1=NC=CN1C)C1=N[N-]N=N1	REAL250004598939	1	35	-1.0	-46.94	292.83	2.63	-44.31
CC(C)CC(NC(=O)COC1CCCOC1)C1=N[N-]N=N1	REAL250004598940	0	43	-1.0	-47.98	343.64	2.50	-45.48
CC(C)CC(NC(=O)COC1CCCOC1)C1=NN=N[N-]1	REAL250004598940	1	43	-1.0	-47.98	343.69	2.51	-45.47
CC(C)CC(NC(=O)C(=O)NC(C)C)C1=N[N-]N=N1	REAL250004598941	0	38	-1.0	-41.76	315.46	0.37	-41.39
CC(C)CC(NC(=O)C(=O)NC(C)C)C1=NN=N[N-]1	REAL250004598941	1	38	-1.0	-41.74	315.52	0.39	-41.35
CC(C)CC(NC(=O)C1=NN(C)C(F)=C1)C1=NN=N[N-]1	REAL250004598942	0	35	-1.0	-45.29	303.59	1.96	-43.33
CC(C)CC(NC(=O)C1=NN(C)C(F)=C1)C1=N[N-]N=N1	REAL250004598942	1	35	-1.0	-45.31	303.54	1.94	-43.37
CC(C)CC(NC(=O)C1C(C)(C)C1(F)F)C1=N[N-]N=N1	REAL250004598943	0	38	-1.0	-42.11	313.18	3.93	-38.18
CC(C)CC(NC(=O)C1C(C)(C)C1(F)F)C1=NN=N[N-]1	REAL250004598943	1	38	-1.0	-42.12	313.24	3.94	-38.18
CC(C)CC(NC(=O)C(F)CC1CC1)C1=N[N-]N=N1	REAL250004598944	0	38	-1.0	-45.95	315.51	4.22	-41.73
CC(C)CC(NC(=O)C(F)CC1CC1)C1=NN=N[N-]1	REAL250004598944	1	38	-1.0	-46.01	315.57	4.25	-41.76
CC(C)CC(NC(=O)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004598945	0	33	-1.0	-46.60	301.15	2.18	-44.42
CC(C)CC(NC(=O)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004598945	1	33	-1.0	-46.60	301.09	2.17	-44.43
CC(C)CC(NC(=O)C(C)S(N)(=O)=O)C1=N[N-]N=N1	REAL250004598946	0	36	-1.0	-58.86	308.95	-3.01	-61.87
CC(C)CC(NC(=O)C(C)S(N)(=O)=O)C1=NN=N[N-]1	REAL250004598946	1	36	-1.0	-58.85	309.02	-2.99	-61.84
CC1=CNC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598947	0	39	-1.0	-48.27	330.32	2.93	-45.34
CC1=CNC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598947	1	39	-1.0	-48.28	330.37	2.94	-45.34
CCC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CC1	REAL250004598948	0	44	-1.0	-45.30	343.94	5.36	-39.94
CCC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598948	1	44	-1.0	-45.34	344.00	5.38	-39.96
CC(=CC1CC1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598949	0	39	-1.0	-46.66	315.34	4.69	-41.97
CC(=CC1CC1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598949	1	39	-1.0	-46.69	315.40	4.71	-41.98
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)N1C=CC=N1	REAL250004598950	0	41	-1.0	-43.97	332.20	3.57	-40.40
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)N1C=CC=N1	REAL250004598950	1	41	-1.0	-43.95	332.14	3.55	-40.40
CC(C)CC(NC(=O)C1CC2(CC(=O)N2)C1)C1=N[N-]N=N1	REAL250004598951	0	40	-1.0	-49.22	328.92	0.21	-49.01
CC(C)CC(NC(=O)C1CC2(CC(=O)N2)C1)C1=NN=N[N-]1	REAL250004598951	1	40	-1.0	-49.29	328.98	0.23	-49.06
CC(C)CC(NC(=O)CCOC1CC1)C1=N[N-]N=N1	REAL250004598952	0	39	-1.0	-44.00	321.96	2.72	-41.28
CC(C)CC(NC(=O)CCOC1CC1)C1=NN=N[N-]1	REAL250004598952	1	39	-1.0	-43.99	322.02	2.73	-41.26
COCN1N=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598953	0	39	-1.0	-45.94	325.58	0.50	-45.44
COCN1N=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598953	1	39	-1.0	-45.91	325.52	0.49	-45.42
CC(C)CC(NC(=O)[C@@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004598954	0	40	-1.0	-47.51	325.55	2.23	-45.28
CC(C)CC(NC(=O)[C@@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004598954	1	40	-1.0	-47.52	325.61	2.25	-45.27
CC(C)CC(NC(=O)C=CC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004598955	0	37	-1.0	-46.02	318.45	3.66	-42.36
CC(C)CC(NC(=O)C=CC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004598955	1	37	-1.0	-46.02	318.51	3.68	-42.34
CC(C)CC(NC(=O)C1=COC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004598956	0	40	-1.0	-45.44	334.76	0.89	-44.55
CC(C)CC(NC(=O)C1=COC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004598956	1	40	-1.0	-45.44	334.82	0.91	-44.53
CC(C)CC(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=N[N-]N=N1	REAL250004598957	0	37	-1.0	-45.06	314.13	0.02	-45.04
CC(C)CC(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=NN=N[N-]1	REAL250004598957	1	37	-1.0	-45.11	314.18	0.03	-45.08
CC(C)CC(NC(=O)C(F)CC1CCCC1)C1=N[N-]N=N1	REAL250004598958	0	44	-1.0	-43.02	347.75	5.31	-37.71
CC(C)CC(NC(=O)C(F)CC1CCCC1)C1=NN=N[N-]1	REAL250004598958	1	44	-1.0	-43.06	347.81	5.33	-37.73
CC(C)CC(NC(=O)C1CC2(C1)CCCO2)C1=N[N-]N=N1	REAL250004598959	0	43	-1.0	-50.77	336.51	4.13	-46.64
CC(C)CC(NC(=O)C1CC2(C1)CCCO2)C1=NN=N[N-]1	REAL250004598959	1	43	-1.0	-50.78	336.57	4.15	-46.63
CCCC(O)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598960	0	38	-1.0	-45.28	308.90	1.33	-43.95
CCCC(O)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598960	1	38	-1.0	-45.28	308.95	1.34	-43.94
CC(C)CC(NC(=O)C1=CC(C(N)=O)=NO1)C1=NN=N[N-]1	REAL250004598961	0	35	-1.0	-43.26	309.05	-1.73	-44.99
CC(C)CC(NC(=O)C1=CC(C(N)=O)=NO1)C1=N[N-]N=N1	REAL250004598961	1	35	-1.0	-43.30	309.00	-1.75	-45.05
CC(C)CC(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004598962	0	42	-1.0	-46.66	337.80	5.91	-40.75
CC(C)CC(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004598962	1	42	-1.0	-46.62	337.86	5.92	-40.70
CC(C)CC(NC(=O)C1=C2C=CN=C2NC=C1)C1=NN=N[N-]1	REAL250004598963	0	38	-1.0	-61.09	315.81	3.56	-57.53
CC(C)CC(NC(=O)C1=C2C=CN=C2NC=C1)C1=N[N-]N=N1	REAL250004598963	1	38	-1.0	-61.10	315.75	3.55	-57.55
CC(C)CC(NC(=O)C1=C2C=CNC2=NC=C1)C1=NN=N[N-]1	REAL250004598963	1	38	-1.0	-50.97	316.00	3.45	-47.52
CC(C)CC(NC(=O)C1=C2C=CNC2=NC=C1)C1=N[N-]N=N1	REAL250004598963	1	38	-1.0	-50.98	315.94	3.43	-47.55
COCCC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598964	0	47	-1.0	-44.40	357.16	3.33	-41.07
COCCC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598964	1	47	-1.0	-44.39	357.22	3.35	-41.04
CCSC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598965	0	38	-1.0	-48.15	319.09	3.74	-44.41
CCSC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598965	1	38	-1.0	-48.14	319.15	3.75	-44.39
CC(C)CC(NC(=O)CC1COCCO1)C1=N[N-]N=N1	REAL250004598966	0	40	-1.0	-50.39	321.12	1.78	-48.61
CC(C)CC(NC(=O)CC1COCCO1)C1=NN=N[N-]1	REAL250004598966	1	40	-1.0	-50.40	321.18	1.80	-48.60
CCC1(C)CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598967	0	44	-1.0	-45.23	334.85	4.75	-40.48
CCC1(C)CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598967	1	44	-1.0	-45.26	334.91	4.77	-40.49
CC(C)CC(NC(=O)CC(C)C(F)F)C1=N[N-]N=N1	REAL250004598968	0	37	-1.0	-44.63	305.74	3.44	-41.19
CC(C)CC(NC(=O)CC(C)C(F)F)C1=NN=N[N-]1	REAL250004598968	1	37	-1.0	-44.61	305.80	3.45	-41.16
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)C=N1	REAL250004598969	0	40	-1.0	-44.70	324.42	3.74	-40.96
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)C=N1	REAL250004598969	1	40	-1.0	-44.68	324.48	3.76	-40.92
CC(C)CC(NC(=O)CC1OCCC1(C)C)C1=N[N-]N=N1	REAL250004598970	0	45	-1.0	-50.91	346.26	3.80	-47.11
CC(C)CC(NC(=O)CC1OCCC1(C)C)C1=NN=N[N-]1	REAL250004598970	1	45	-1.0	-50.96	346.32	3.81	-47.15
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC(C)=N1	REAL250004598971	0	39	-1.0	-44.50	327.28	2.81	-41.69
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC(C)=N1	REAL250004598971	1	39	-1.0	-44.50	327.33	2.82	-41.68
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=NS1	REAL250004598972	0	34	-1.0	-43.08	294.75	2.61	-40.47
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=NS1	REAL250004598972	1	34	-1.0	-43.15	294.80	2.63	-40.52
CC(C)CC(NC(=O)C=CC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004598973	0	37	-1.0	-47.16	318.27	2.00	-45.16
CC(C)CC(NC(=O)C=CC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004598973	1	37	-1.0	-47.15	318.32	2.01	-45.14
CC(C)CC(NC(=O)C1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004598974	0	34	-1.0	-41.31	299.26	2.39	-38.92
CC(C)CC(NC(=O)C1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004598974	1	34	-1.0	-41.31	299.20	2.37	-38.94
COC(=O)C(OC)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598975	0	38	-1.0	-46.70	322.15	2.59	-44.11
COC(=O)C(OC)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598975	1	38	-1.0	-46.71	322.21	2.61	-44.10
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598976	0	41	-1.0	-55.25	337.63	3.98	-51.27
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598976	1	41	-1.0	-55.29	337.66	4.00	-51.29
CC(C)CC(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004598977	0	42	-1.0	-46.57	334.01	6.14	-40.43
CC(C)CC(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004598977	1	42	-1.0	-46.61	334.06	6.15	-40.46
CC(C)CC(NC(=O)C1=NN(CC#N)C=C1)C1=NN=N[N-]1	REAL250004598978	0	36	-1.0	-60.22	317.87	2.58	-57.64
CC(C)CC(NC(=O)C1=NN(CC#N)C=C1)C1=N[N-]N=N1	REAL250004598978	1	36	-1.0	-60.16	317.78	2.57	-57.59
CC(C)CC(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=N[N-]N=N1	REAL250004598979	0	43	-1.0	-46.25	333.15	3.03	-43.22
CC(C)CC(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=NN=N[N-]1	REAL250004598979	1	43	-1.0	-46.25	333.21	3.05	-43.20
CCN1C=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004598980	0	37	-1.0	-54.06	313.42	3.52	-50.54
CCN1C=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004598980	1	37	-1.0	-54.10	313.36	3.50	-50.60
CC(C)CC(NC(=O)C1=CC=NN1CC#N)C1=NN=N[N-]1	REAL250004598981	0	36	-1.0	-44.63	312.94	2.53	-42.10
CC(C)CC(NC(=O)C1=CC=NN1CC#N)C1=N[N-]N=N1	REAL250004598981	1	36	-1.0	-44.61	312.87	2.51	-42.10
CC(C)CC(F)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598982	0	40	-1.0	-43.01	320.79	3.94	-39.07
CC(C)CC(F)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598982	1	40	-1.0	-43.04	320.84	3.96	-39.08
C=C(Cl)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598983	0	35	-1.0	-42.98	307.44	3.71	-39.27
C=C(Cl)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598983	1	35	-1.0	-42.96	307.50	3.72	-39.24
CC(C)CC(NC(=O)C(C)CC1CCC1)C1=N[N-]N=N1	REAL250004598984	0	44	-1.0	-45.87	341.70	5.25	-40.62
CC(C)CC(NC(=O)C(C)CC1CCC1)C1=NN=N[N-]1	REAL250004598984	1	44	-1.0	-45.87	341.76	5.27	-40.60
CC(C)CC(NC(=O)CCCC1CCC1)C1=N[N-]N=N1	REAL250004598985	0	44	-1.0	-45.59	347.29	5.53	-40.06
CC(C)CC(NC(=O)CCCC1CCC1)C1=NN=N[N-]1	REAL250004598985	1	44	-1.0	-45.59	347.35	5.54	-40.05
CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1N	REAL250004598986	0	40	-1.0	-45.29	319.17	3.22	-42.07
CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1N	REAL250004598986	1	40	-1.0	-45.28	319.23	3.23	-42.05
CC(C)CC(NC(=O)C1=CC=CC(F)=C1N)C1=N[N-]N=N1	REAL250004598987	0	37	-1.0	-44.93	307.44	2.52	-42.41
CC(C)CC(NC(=O)C1=CC=CC(F)=C1N)C1=NN=N[N-]1	REAL250004598987	1	37	-1.0	-44.88	307.50	2.53	-42.35
CC(C)CC(NC(=O)CC1=CC=C(O)C=N1)C1=N[N-]N=N1	REAL250004598988	0	38	-1.0	-55.07	320.67	0.38	-54.69
CC(C)CC(NC(=O)CC1=CC=C(O)C=N1)C1=NN=N[N-]1	REAL250004598988	1	38	-1.0	-55.10	320.73	0.39	-54.71
C=CN1N=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598989	0	36	-1.0	-45.17	304.27	2.97	-42.20
C=CN1N=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598989	1	36	-1.0	-45.19	304.32	2.98	-42.21
CC(C)CC(NC(=O)C(=O)NC1=NC=CN1)C1=NN=N[N-]1	REAL250004598990	0	36	-1.0	-41.77	307.77	1.85	-39.92
CC(C)CC(NC(=O)C(=O)NC1=NC=CN1)C1=N[N-]N=N1	REAL250004598990	1	36	-1.0	-41.83	307.71	1.84	-39.99
CC(C)CC(NC(=O)C(F)=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004598991	0	36	-1.0	-50.77	312.03	3.43	-47.34
CC(C)CC(NC(=O)C(F)=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004598991	1	36	-1.0	-50.77	312.08	3.45	-47.32
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C	REAL250004598992	0	37	-1.0	-55.11	312.32	2.39	-52.72
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C	REAL250004598992	1	37	-1.0	-55.09	312.38	2.41	-52.68
CCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004598993	0	39	-1.0	-47.18	322.01	3.27	-43.91
CCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004598993	1	39	-1.0	-47.22	322.07	3.28	-43.94
CC(C)CC(NC(=O)C1=CC(=O)NN1C)C1=N[N-]N=N1	REAL250004598994	0	36	-1.0	-43.82	303.97	-0.01	-43.83
CC(C)CC(NC(=O)C1=CC(=O)NN1C)C1=NN=N[N-]1	REAL250004598994	1	36	-1.0	-43.79	304.03	-0.01	-43.80
CC(C)CC(NC(=O)C1=NNC(=S)N1C)C1=N[N-]N=N1	REAL250004598995	0	35	-1.0	-39.85	309.67	2.86	-36.99
CC(C)CC(NC(=O)C1=NNC(=S)N1C)C1=NN=N[N-]1	REAL250004598995	1	35	-1.0	-39.81	309.73	2.88	-36.93
CCC1(C)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598996	0	42	-1.0	-46.59	335.89	4.90	-41.69
CCC1(C)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598996	1	42	-1.0	-46.59	335.95	4.92	-41.67
CC(C)CC(NC(=O)C[C@@H]1CCC[C@H]1O)C1=N[N-]N=N1	REAL250004598997	0	42	-1.0	-47.14	331.13	1.11	-46.03
CC(C)CC(NC(=O)C[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004598997	1	42	-1.0	-47.12	331.19	1.12	-46.00
CC(C)CC(NC(=O)C[C@@H]1COC[C@H]1O)C1=N[N-]N=N1	REAL250004598998	0	40	-1.0	-51.22	321.20	-1.43	-52.65
CC(C)CC(NC(=O)C[C@@H]1COC[C@H]1O)C1=NN=N[N-]1	REAL250004598998	1	40	-1.0	-51.22	321.25	-1.41	-52.63
C#CC[C@]1(O)C[C@@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004598999	0	41	-1.0	-47.44	338.93	1.69	-45.75
C#CC[C@]1(O)C[C@@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004598999	1	41	-1.0	-47.46	338.99	1.70	-45.76
CC(C)CC(NC(=O)CC1CCC(=O)C1)C1=N[N-]N=N1	REAL250004599000	0	40	-1.0	-51.15	322.57	3.64	-47.51
CC(C)CC(NC(=O)CC1CCC(=O)C1)C1=NN=N[N-]1	REAL250004599000	1	40	-1.0	-51.20	322.63	3.65	-47.55
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)N1C=CN=C1	REAL250004599001	0	41	-1.0	-49.89	334.55	4.94	-44.95
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)N1C=CN=C1	REAL250004599001	1	41	-1.0	-49.92	334.60	4.96	-44.96
CCC(F)(F)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599002	0	37	-1.0	-51.36	307.92	3.53	-47.83
CCC(F)(F)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599002	1	37	-1.0	-51.38	307.97	3.54	-47.84
CC(C)CC(NC(=O)C1CCC2(C1)N=N2)C1=N[N-]N=N1	REAL250004599003	0	38	-1.0	-43.82	313.01	-1.51	-45.33
CC(C)CC(NC(=O)C1CCC2(C1)N=N2)C1=NN=N[N-]1	REAL250004599003	1	38	-1.0	-43.84	313.07	-1.49	-45.33
C=CCC(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599004	0	44	-1.0	-44.23	338.42	4.88	-39.35
C=CCC(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599004	1	44	-1.0	-44.23	338.48	4.89	-39.34
CCC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)OC	REAL250004599005	0	41	-1.0	-47.38	324.70	3.10	-44.28
CCC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)OC	REAL250004599005	1	41	-1.0	-47.39	324.76	3.12	-44.27
CCC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CCC1	REAL250004599006	0	47	-1.0	-45.24	356.06	5.73	-39.51
CCC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CCC1	REAL250004599006	1	47	-1.0	-45.27	356.12	5.75	-39.52
CC(C)CC(NC(=O)C1CC2CCC(C2)C1)C1=N[N-]N=N1	REAL250004599007	0	45	-1.0	-41.17	309.27	5.06	-36.11
CC(C)CC(NC(=O)C1CC2CCC(C2)C1)C1=NN=N[N-]1	REAL250004599007	1	45	-1.0	-41.12	309.33	5.07	-36.05
CC(C)CC(NC(=O)C1CC(=O)C1(C)C)C1=N[N-]N=N1	REAL250004599008	0	40	-1.0	-43.87	321.51	3.31	-40.56
CC(C)CC(NC(=O)C1CC(=O)C1(C)C)C1=NN=N[N-]1	REAL250004599008	1	40	-1.0	-43.85	321.57	3.32	-40.53
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=N[N-]N=N1	REAL250004599009	0	41	-1.0	-45.96	328.47	4.64	-41.32
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=NN=N[N-]1	REAL250004599009	1	41	-1.0	-46.00	328.53	4.65	-41.35
CCCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=N1	REAL250004599010	0	40	-1.0	-45.64	331.46	1.01	-44.63
CCCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=N1	REAL250004599010	1	40	-1.0	-45.67	331.52	1.03	-44.64
CC1=CC=C(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004599011	0	40	-1.0	-47.67	326.29	3.72	-43.95
CC1=CC=C(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004599011	1	40	-1.0	-47.71	326.34	3.74	-43.97
CC(C)CC(NC(=O)C1=CN=C(Cl)N1)C1=N[N-]N=N1	REAL250004599012	0	32	-1.0	-42.75	290.53	1.46	-41.29
CC(C)CC(NC(=O)C1=CN=C(Cl)N1)C1=NN=N[N-]1	REAL250004599012	1	32	-1.0	-42.72	290.59	1.47	-41.25
CC(C)CC(NC(=O)C1=C2C=CNC2=CN=C1)C1=NN=N[N-]1	REAL250004599013	0	38	-1.0	-52.61	315.36	2.41	-50.20
CC(C)CC(NC(=O)C1=C2C=CNC2=CN=C1)C1=N[N-]N=N1	REAL250004599013	1	38	-1.0	-52.60	315.31	2.39	-50.21
CC(C)CC(NC(=O)CC1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004599014	0	38	-1.0	-52.15	324.60	2.14	-50.01
CC(C)CC(NC(=O)CC1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004599014	1	38	-1.0	-52.11	324.66	2.15	-49.96
CCCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004599015	0	42	-1.0	-46.95	343.51	4.04	-42.91
CCCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004599015	1	42	-1.0	-46.93	343.57	4.06	-42.87
CC(C)CC(NC(=O)[C@@H]1CC=CCC1)C1=N[N-]N=N1	REAL250004599016	0	39	-1.0	-45.42	309.40	4.35	-41.07
CC(C)CC(NC(=O)[C@@H]1CC=CCC1)C1=NN=N[N-]1	REAL250004599016	1	39	-1.0	-45.44	309.46	4.37	-41.07
CC(C)CC(NC(=O)CC1CC(=O)C1)C1=N[N-]N=N1	REAL250004599017	0	37	-1.0	-49.23	306.71	3.05	-46.18
CC(C)CC(NC(=O)CC1CC(=O)C1)C1=NN=N[N-]1	REAL250004599017	1	37	-1.0	-49.24	306.77	3.06	-46.18
CC(C)CC(NC(=O)C(=O)N(C)C)C1=N[N-]N=N1	REAL250004599018	0	35	-1.0	-42.17	288.85	0.70	-41.47
CC(C)CC(NC(=O)C(=O)N(C)C)C1=NN=N[N-]1	REAL250004599018	1	35	-1.0	-42.18	288.91	0.71	-41.47
COC(=O)C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599019	0	37	-1.0	-52.15	307.46	3.48	-48.67
COC(=O)C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599019	1	37	-1.0	-52.12	307.51	3.49	-48.63
CCC1=CSC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599020	0	38	-1.0	-46.45	320.19	4.51	-41.94
CCC1=CSC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599020	1	38	-1.0	-46.46	320.24	4.52	-41.94
CC(C)CC(NC(=O)C1CC(C(C)C)C1)C1=N[N-]N=N1	REAL250004599021	0	44	-1.0	-45.33	344.65	5.09	-40.24
CC(C)CC(NC(=O)C1CC(C(C)C)C1)C1=NN=N[N-]1	REAL250004599021	1	44	-1.0	-45.37	344.71	5.11	-40.26
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NNC1=O	REAL250004599022	0	37	-1.0	-42.26	313.39	0.33	-41.93
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NNC1=O	REAL250004599022	1	37	-1.0	-42.29	313.45	0.35	-41.94
CC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL250004599023	0	36	-1.0	-52.53	305.96	2.29	-50.24
CC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL250004599023	1	36	-1.0	-52.47	306.02	2.31	-50.16
CC(C)CC(NC(=O)C1=CN=CN(C)C1=O)C1=NN=N[N-]1	REAL250004599024	0	37	-1.0	-56.17	309.01	3.04	-53.13
CC(C)CC(NC(=O)C1=CN=CN(C)C1=O)C1=N[N-]N=N1	REAL250004599024	1	37	-1.0	-56.17	308.96	3.02	-53.15
CC(C)CC(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004599025	0	39	-1.0	-46.72	325.99	5.41	-41.31
CC(C)CC(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004599025	1	39	-1.0	-46.77	326.05	5.43	-41.34
CC(C)CC(NC(=O)CCC1(C)N=N1)C1=N[N-]N=N1	REAL250004599026	0	37	-1.0	-42.52	309.73	-1.47	-43.99
CC(C)CC(NC(=O)CCC1(C)N=N1)C1=NN=N[N-]1	REAL250004599026	1	37	-1.0	-42.51	309.79	-1.45	-43.96
CC(C)CC(NC(=O)CC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004599027	0	43	-1.0	-51.94	342.97	4.77	-47.17
CC(C)CC(NC(=O)CC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004599027	1	43	-1.0	-51.94	343.03	4.79	-47.15
CC(C)CC(NC(=O)CCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004599028	0	45	-1.0	-43.83	358.18	4.36	-39.47
CC(C)CC(NC(=O)CCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004599028	1	45	-1.0	-43.86	358.24	4.38	-39.48
CC(C)CC(NC(=O)C1=CN=CC(F)=N1)C1=NN=N[N-]1	REAL250004599029	0	33	-1.0	-42.45	289.99	0.55	-41.90
CC(C)CC(NC(=O)C1=CN=CC(F)=N1)C1=N[N-]N=N1	REAL250004599029	1	33	-1.0	-42.44	289.93	0.54	-41.90
CC1=NC(C#N)=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599030	0	38	-1.0	-44.89	323.72	3.35	-41.54
CC1=NC(C#N)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599030	1	38	-1.0	-44.89	323.78	3.36	-41.53
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004599031	0	40	-1.0	-47.34	332.05	5.91	-41.43
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004599031	1	40	-1.0	-47.36	332.11	5.94	-41.42
CC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004599032	0	37	-1.0	-48.18	310.17	3.15	-45.03
CC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004599032	1	37	-1.0	-48.21	310.22	3.17	-45.04
CC(C)CC(NC(=O)C1CC(C)(F)C1)C1=N[N-]N=N1	REAL250004599033	0	38	-1.0	-42.60	310.34	3.82	-38.78
CC(C)CC(NC(=O)C1CC(C)(F)C1)C1=NN=N[N-]1	REAL250004599033	1	38	-1.0	-42.60	310.40	3.84	-38.76
CCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599034	0	35	-1.0	-47.11	300.60	3.21	-43.90
CCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599034	1	35	-1.0	-47.09	300.66	3.22	-43.87
C=CCC(CC(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599035	0	47	-1.0	-44.97	362.99	5.76	-39.21
C=CCC(CC(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599035	1	47	-1.0	-44.99	363.05	5.77	-39.22
CC(C)CC(NC(=O)C1CCC(C)O1)C1=N[N-]N=N1	REAL250004599036	0	39	-1.0	-50.53	313.50	3.23	-47.30
CC(C)CC(NC(=O)C1CCC(C)O1)C1=NN=N[N-]1	REAL250004599036	1	39	-1.0	-50.51	313.56	3.26	-47.25
CC(C)CC(NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=N[N-]N=N1	REAL250004599037	0	45	-1.0	-45.13	350.76	3.57	-41.56
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CC(C)CC(NC(=O)C1CC(=O)CO1)C1=N[N-]N=N1	REAL250004599056	0	35	-1.0	-47.66	295.20	1.48	-46.18
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CC(C)CC(NC(=O)CC1CC2CC2C1)C1=N[N-]N=N1	REAL250004599067	0	42	-1.0	-46.53	329.65	5.24	-41.29
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CC(C)CC(NC(=O)C1=CCCOC1)C1=N[N-]N=N1	REAL250004599068	0	37	-1.0	-46.73	298.83	2.01	-44.72
CC(C)CC(NC(=O)C1=CCCOC1)C1=NN=N[N-]1	REAL250004599068	1	37	-1.0	-46.74	298.89	2.03	-44.71
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CC(C)CC(NC(=O)C1=CN(CCO)N=N1)C1=N[N-]N=N1	REAL250004599070	1	38	-1.0	-46.24	325.51	-1.97	-48.21
CC(C)CC(NC(=O)CC1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004599071	0	45	-1.0	-46.49	352.95	5.78	-40.71
CC(C)CC(NC(=O)CC1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004599071	1	45	-1.0	-46.52	353.00	5.80	-40.72
CC(C)CC(NC(=O)C1=NOC(CF)=C1)C1=N[N-]N=N1	REAL250004599072	0	34	-1.0	-46.47	298.67	2.44	-44.03
CC(C)CC(NC(=O)C1=NOC(CF)=C1)C1=NN=N[N-]1	REAL250004599072	1	34	-1.0	-46.54	298.73	2.45	-44.09
CC(C)CC(NC(=O)COC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004599073	0	39	-1.0	-50.77	329.89	2.52	-48.25
CC(C)CC(NC(=O)COC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004599073	1	39	-1.0	-50.74	329.83	2.51	-48.23
CCC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004599074	0	37	-1.0	-41.92	313.63	2.92	-39.00
CCC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004599074	1	37	-1.0	-41.93	313.68	2.94	-38.99
CC(C)CC(NC(=O)C=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004599075	0	38	-1.0	-46.47	321.08	3.61	-42.86
CC(C)CC(NC(=O)C=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004599075	1	38	-1.0	-46.48	321.14	3.63	-42.85
CC(C)CC(NC(=O)C1CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004599076	0	40	-1.0	-54.10	332.76	4.10	-50.00
CC(C)CC(NC(=O)C1CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004599076	1	40	-1.0	-54.09	332.81	4.11	-49.98
CC(C)CC(NC(=O)C1COC(=O)O1)C1=N[N-]N=N1	REAL250004599077	0	33	-1.0	-53.39	284.77	2.28	-51.11
CC(C)CC(NC(=O)C1COC(=O)O1)C1=NN=N[N-]1	REAL250004599077	1	33	-1.0	-53.39	284.82	2.29	-51.10
CC(C)CC(NC(=O)C(C)C1CCOC1)C1=N[N-]N=N1	REAL250004599078	0	42	-1.0	-45.68	327.49	2.46	-43.22
CC(C)CC(NC(=O)C(C)C1CCOC1)C1=NN=N[N-]1	REAL250004599078	1	42	-1.0	-45.67	327.54	2.47	-43.20
CC(C)CC(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=N[N-]N=N1	REAL250004599079	0	39	-1.0	-45.94	309.16	4.38	-41.56
CC(C)CC(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=NN=N[N-]1	REAL250004599079	1	39	-1.0	-46.00	309.21	4.40	-41.60
CC(C)CC(NC(=O)C1COC2COCC21)C1=N[N-]N=N1	REAL250004599080	0	41	-1.0	-52.75	320.80	0.66	-52.09
CC(C)CC(NC(=O)C1COC2COCC21)C1=NN=N[N-]1	REAL250004599080	1	41	-1.0	-52.76	320.86	0.68	-52.08
CC(C)CC(NC(=O)CC1OCCC1C)C1=N[N-]N=N1	REAL250004599081	0	42	-1.0	-48.87	326.56	3.25	-45.62
CC(C)CC(NC(=O)CC1OCCC1C)C1=NN=N[N-]1	REAL250004599081	1	42	-1.0	-48.86	326.62	3.27	-45.59
C=C1CC2(C1)CC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C2	REAL250004599082	0	43	-1.0	-45.62	345.21	5.51	-40.11
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CC(C)CC(NC(=O)C1CCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004599083	0	39	-1.0	-47.91	314.62	4.36	-43.55
CC(C)CC(NC(=O)C1CCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004599083	1	39	-1.0	-47.86	314.68	4.38	-43.48
CC(C)CC(NC(=O)CC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004599084	0	45	-1.0	-46.58	339.51	5.47	-41.11
CC(C)CC(NC(=O)CC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004599084	1	45	-1.0	-46.60	339.57	5.48	-41.12
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004599085	0	36	-1.0	-47.80	300.53	2.53	-45.27
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004599085	1	36	-1.0	-47.81	300.59	2.54	-45.27
CCCOCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599086	0	44	-1.0	-47.82	354.64	3.46	-44.36
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CC(C)CC(NC(=O)C1=C(C#N)C=NN1C)C1=NN=N[N-]1	REAL250004599087	0	36	-1.0	-41.31	318.51	2.11	-39.20
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CC(C)CC(NC(=O)CC(C)C(C)C(C)C)C1=N[N-]N=N1	REAL250004599088	0	49	-1.0	-45.06	361.04	5.36	-39.70
CC(C)CC(NC(=O)CC(C)C(C)C(C)C)C1=NN=N[N-]1	REAL250004599088	1	49	-1.0	-45.04	361.10	5.38	-39.66
CO[C@@H]1C[C@@]2(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C[C@@H]12	REAL250004599089	0	40	-1.0	-49.24	328.54	2.83	-46.41
CO[C@@H]1C[C@@]2(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C[C@@H]12	REAL250004599089	1	40	-1.0	-49.26	328.60	2.84	-46.42
CC(C)CC(NC(=O)C1CCC(C)(C)OC1)C1=N[N-]N=N1	REAL250004599090	0	45	-1.0	-44.73	343.04	3.22	-41.51
CC(C)CC(NC(=O)C1CCC(C)(C)OC1)C1=NN=N[N-]1	REAL250004599090	1	45	-1.0	-44.74	343.09	3.23	-41.51
CC(C)CC(NC(=O)CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004599091	0	42	-1.0	-50.43	327.23	3.65	-46.78
CC(C)CC(NC(=O)CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004599091	1	42	-1.0	-50.44	327.28	3.67	-46.77
CC(C)CC(NC(=O)C1=NC2=CC=CNC2=C1)C1=N[N-]N=N1	REAL250004599092	0	38	-1.0	-67.10	321.42	2.35	-64.75
CC(C)CC(NC(=O)C1=NC2=CC=CNC2=C1)C1=NN=N[N-]1	REAL250004599092	1	38	-1.0	-67.06	321.47	2.36	-64.70
CC(C)CC(NC(=O)C1C2C3CC1C(=O)C32)C1=N[N-]N=N1	REAL250004599093	0	39	-1.0	-61.45	317.73	3.93	-57.52
CC(C)CC(NC(=O)C1C2C3CC1C(=O)C32)C1=NN=N[N-]1	REAL250004599093	1	39	-1.0	-61.45	317.79	3.95	-57.50
COCC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL250004599094	0	40	-1.0	-47.74	333.06	1.66	-46.08
COCC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL250004599094	1	40	-1.0	-47.69	333.12	1.68	-46.01
CC(C)CC(NC(=O)CC1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004599095	0	42	-1.0	-46.50	336.31	5.31	-41.19
CC(C)CC(NC(=O)CC1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004599095	1	42	-1.0	-46.54	336.37	5.32	-41.22
CC1=NN(C)C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004599096	0	41	-1.0	-49.99	338.37	2.94	-47.05
CC1=NN(C)C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004599096	1	41	-1.0	-49.99	338.43	2.96	-47.03
CCC(C)CC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599097	0	46	-1.0	-45.63	350.66	5.09	-40.54
CCC(C)CC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599097	1	46	-1.0	-45.63	350.72	5.11	-40.52
CC(C)CC(NC(=O)C1CC12CC(C)(C)C2)C1=N[N-]N=N1	REAL250004599098	0	45	-1.0	-46.11	352.47	5.66	-40.45
CC(C)CC(NC(=O)C1CC12CC(C)(C)C2)C1=NN=N[N-]1	REAL250004599098	1	45	-1.0	-46.11	352.53	5.67	-40.44
CC(C)CC(NC(=O)C1CCCC12CCC2)C1=N[N-]N=N1	REAL250004599099	0	45	-1.0	-46.31	342.96	5.43	-40.88
CC(C)CC(NC(=O)C1CCCC12CCC2)C1=NN=N[N-]1	REAL250004599099	1	45	-1.0	-46.32	343.02	5.44	-40.88
CC(C)CC(NC(=O)[C@H]1CC1(F)F)C1=N[N-]N=N1	REAL250004599100	0	32	-1.0	-48.35	278.07	2.89	-45.46
CC(C)CC(NC(=O)[C@H]1CC1(F)F)C1=NN=N[N-]1	REAL250004599100	1	32	-1.0	-48.36	278.13	2.91	-45.45
CC(C)CC(NC(=O)CC12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004599101	0	43	-1.0	-48.50	338.73	3.05	-45.45
CC(C)CC(NC(=O)CC12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004599101	1	43	-1.0	-48.47	338.79	3.06	-45.41
CC(C)CC(NC(=O)[C@]12C[C@H]1[C@H](C)C2)C1=N[N-]N=N1	REAL250004599102	0	39	-1.0	-46.96	316.04	4.52	-42.44
CC(C)CC(NC(=O)[C@]12C[C@H]1[C@H](C)C2)C1=NN=N[N-]1	REAL250004599102	1	39	-1.0	-46.96	316.10	4.53	-42.43
CC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C#N	REAL250004599103	0	38	-1.0	-44.25	326.64	3.29	-40.96
CC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C#N	REAL250004599103	1	38	-1.0	-44.23	326.70	3.30	-40.93
CC(C)CC(NC(=O)[C@@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004599104	0	35	-1.0	-55.52	294.43	3.11	-52.41
CC(C)CC(NC(=O)[C@@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004599104	1	35	-1.0	-55.57	294.49	3.12	-52.45
CC(C)CC(NC(=O)C(F)C1CCC1)C1=N[N-]N=N1	REAL250004599105	0	38	-1.0	-46.63	308.16	3.90	-42.73
CC(C)CC(NC(=O)C(F)C1CCC1)C1=NN=N[N-]1	REAL250004599105	1	38	-1.0	-46.63	308.22	3.91	-42.72
CC(C)CC(NC(=O)C(F)C1CCOC1)C1=N[N-]N=N1	REAL250004599106	0	39	-1.0	-47.59	314.34	1.97	-45.62
CC(C)CC(NC(=O)C(F)C1CCOC1)C1=NN=N[N-]1	REAL250004599106	1	39	-1.0	-47.62	314.40	1.98	-45.64
CCC1(C)CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL250004599107	0	45	-1.0	-50.19	350.50	4.42	-45.77
CCC1(C)CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL250004599107	1	45	-1.0	-50.20	350.56	4.44	-45.76
CC(C)CC(NC(=O)C1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004599108	0	43	-1.0	-50.39	338.85	4.17	-46.22
CC(C)CC(NC(=O)C1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004599108	1	43	-1.0	-50.39	338.91	4.18	-46.21
CC(C)CC(NC(=O)C1CC2(CC(F)C2)C1)C1=N[N-]N=N1	REAL250004599109	0	42	-1.0	-46.41	338.30	5.11	-41.30
CC(C)CC(NC(=O)C1CC2(CC(F)C2)C1)C1=NN=N[N-]1	REAL250004599109	1	42	-1.0	-46.42	338.36	5.13	-41.29
CC(C)CC(NC(=O)C12CC(C1)OC2)C1=N[N-]N=N1	REAL250004599110	0	37	-1.0	-44.03	300.32	1.69	-42.34
CC(C)CC(NC(=O)C12CC(C1)OC2)C1=NN=N[N-]1	REAL250004599110	1	37	-1.0	-44.07	300.37	1.70	-42.37
CC(C)CC(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004599111	0	37	-1.0	-45.53	312.42	-0.23	-45.76
CC(C)CC(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004599111	1	37	-1.0	-45.55	312.48	-0.21	-45.76
CC(C)CC(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004599112	0	40	-1.0	-45.81	328.80	0.38	-45.43
CC(C)CC(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004599112	1	40	-1.0	-45.80	328.86	0.40	-45.40
COC1=CN=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004599113	0	37	-1.0	-46.37	313.60	0.60	-45.77
COC1=CN=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004599113	1	37	-1.0	-46.40	313.55	0.59	-45.81
CC(C)CC(NC(=O)C1[C@H](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004599114	0	38	-1.0	-45.44	296.79	3.80	-41.64
CC(C)CC(NC(=O)C1[C@H](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004599114	1	38	-1.0	-45.46	296.85	3.82	-41.64
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=N[N-]N=N1	REAL250004599115	0	38	-1.0	-43.29	320.09	4.19	-39.10
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=NN=N[N-]1	REAL250004599115	1	38	-1.0	-43.32	320.15	4.21	-39.11
CC(C)CC(NC(=O)C1CNC(=O)CC1C)C1=N[N-]N=N1	REAL250004599116	0	42	-1.0	-46.15	332.86	0.97	-45.18
CC(C)CC(NC(=O)C1CNC(=O)CC1C)C1=NN=N[N-]1	REAL250004599116	1	42	-1.0	-46.18	332.92	0.99	-45.19
CC(C)CC(NC(=O)C1(F)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004599117	0	44	-1.0	-42.58	341.09	5.01	-37.57
CC(C)CC(NC(=O)C1(F)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004599117	1	44	-1.0	-42.60	341.15	5.02	-37.58
COC1(C#N)CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004599118	0	40	-1.0	-46.41	333.73	2.26	-44.15
COC1(C#N)CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004599118	1	40	-1.0	-46.38	333.78	2.27	-44.11
CC(C)CC(NC(=O)[C@H]1CCO[C@H]1C)C1=N[N-]N=N1	REAL250004599119	0	39	-1.0	-48.17	306.13	1.90	-46.27
CC(C)CC(NC(=O)[C@H]1CCO[C@H]1C)C1=NN=N[N-]1	REAL250004599119	1	39	-1.0	-48.19	306.20	1.90	-46.29
CC(C)CC(NC(=O)CC1COC(C)(C)C1)C1=N[N-]N=N1	REAL250004599120	0	45	-1.0	-48.44	351.88	3.41	-45.03
CC(C)CC(NC(=O)CC1COC(C)(C)C1)C1=NN=N[N-]1	REAL250004599120	1	45	-1.0	-48.42	351.94	3.43	-44.99
CC(C)CC(NC(=O)C1CCCCC(=O)C1)C1=N[N-]N=N1	REAL250004599121	0	43	-1.0	-44.22	331.50	3.98	-40.24
CC(C)CC(NC(=O)C1CCCCC(=O)C1)C1=NN=N[N-]1	REAL250004599121	1	43	-1.0	-44.24	331.56	4.00	-40.24
CC(C)CC(NC(=O)C1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004599122	0	43	-1.0	-50.28	340.52	4.41	-45.87
CC(C)CC(NC(=O)C1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004599122	1	43	-1.0	-50.25	340.57	4.42	-45.83
CC(C)CC(NC(=O)C1CCCC(C)CC1)C1=N[N-]N=N1	REAL250004599123	0	47	-1.0	-45.21	348.79	5.52	-39.69
CC(C)CC(NC(=O)C1CCCC(C)CC1)C1=NN=N[N-]1	REAL250004599123	1	47	-1.0	-45.22	348.85	5.54	-39.68
CC(C)CC(NC(=O)[C@@H]1CC1(F)F)C1=N[N-]N=N1	REAL250004599124	0	32	-1.0	-48.37	278.12	2.83	-45.54
CC(C)CC(NC(=O)[C@@H]1CC1(F)F)C1=NN=N[N-]1	REAL250004599124	1	32	-1.0	-48.38	278.18	2.84	-45.54
CC(C)CC(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004599125	0	35	-1.0	-48.19	293.63	3.60	-44.59
CC(C)CC(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004599125	1	35	-1.0	-48.23	293.69	3.62	-44.61
CC1=C(Cl)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1	REAL250004599126	0	35	-1.0	-48.85	310.87	1.70	-47.15
CC1=C(Cl)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1	REAL250004599126	1	35	-1.0	-48.85	310.92	1.72	-47.13
CC(C)CC(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=N[N-]N=N1	REAL250004599127	0	38	-1.0	-49.94	325.26	0.47	-49.47
CC(C)CC(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=NN=N[N-]1	REAL250004599127	1	38	-1.0	-49.89	325.32	0.49	-49.40
CC(C)CC(NC(=O)C1CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004599128	0	42	-1.0	-50.78	342.40	3.91	-46.87
CC(C)CC(NC(=O)C1CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004599128	1	42	-1.0	-50.79	342.45	3.93	-46.86
CC(C)CC(NC(=O)CCC(C)(C)C#N)C1=N[N-]N=N1	REAL250004599129	0	41	-1.0	-50.34	332.13	3.92	-46.42
CC(C)CC(NC(=O)CCC(C)(C)C#N)C1=NN=N[N-]1	REAL250004599129	1	41	-1.0	-50.38	332.18	3.94	-46.44
CC(C)CC(NC(=O)CCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004599130	0	33	-1.0	-42.56	286.25	-1.53	-44.09
CC(C)CC(NC(=O)CCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004599130	1	33	-1.0	-42.55	286.31	-1.52	-44.07
CC(C)CC(NC(=O)CCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004599131	0	36	-1.0	-46.73	307.70	-0.68	-47.41
CC(C)CC(NC(=O)CCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004599131	1	36	-1.0	-46.73	307.76	-0.67	-47.40
CCOCC(N=[N+]=[N-])C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599132	0	40	-1.0	-44.90	340.17	-1.28	-46.18
CCOCC(N=[N+]=[N-])C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599132	1	40	-1.0	-44.94	340.23	-1.26	-46.20
CC(C)CC(NC(=O)C1CC(C2CCC2)C1)C1=N[N-]N=N1	REAL250004599133	0	45	-1.0	-45.97	351.12	5.79	-40.18
CC(C)CC(NC(=O)C1CC(C2CCC2)C1)C1=NN=N[N-]1	REAL250004599133	1	45	-1.0	-46.00	351.18	5.81	-40.19
CNC(=O)NC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599134	0	40	-1.0	-46.95	329.20	-0.94	-47.89
CNC(=O)NC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599134	1	40	-1.0	-46.98	329.26	-0.92	-47.90
CNC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599135	0	40	-1.0	-44.17	329.22	-0.94	-45.11
CNC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599135	1	40	-1.0	-44.18	329.28	-0.92	-45.10
CNC(=O)N[C@H](C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599136	0	40	-1.0	-44.16	329.24	-0.93	-45.09
CNC(=O)N[C@H](C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599136	1	40	-1.0	-44.15	329.30	-0.91	-45.06
CC(C)CC(NC(=O)C1CCSC(C)C1)C1=N[N-]N=N1	REAL250004599137	0	42	-1.0	-45.40	337.61	4.84	-40.56
CC(C)CC(NC(=O)C1CCSC(C)C1)C1=NN=N[N-]1	REAL250004599137	1	42	-1.0	-45.38	337.67	4.85	-40.53
CC(C)CC(NC(=O)CCC(C)(C)F)C1=N[N-]N=N1	REAL250004599138	0	40	-1.0	-46.27	321.58	3.98	-42.29
CC(C)CC(NC(=O)CCC(C)(C)F)C1=NN=N[N-]1	REAL250004599138	1	40	-1.0	-46.28	321.63	4.00	-42.28
COC1CC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004599139	0	45	-1.0	-48.71	359.36	3.67	-45.04
COC1CC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004599139	1	45	-1.0	-48.70	359.41	3.69	-45.01
CCCCC[C@@H](O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599140	0	47	-1.0	-48.68	372.83	3.35	-45.33
CCCCC[C@@H](O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599140	1	47	-1.0	-48.68	372.88	3.36	-45.32
CCC1=C(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NO1	REAL250004599141	0	40	-1.0	-45.85	330.81	3.65	-42.20
CCC1=C(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NO1	REAL250004599141	1	40	-1.0	-45.85	330.87	3.67	-42.18
CC(C)CC(NC(=O)C1CCCCNC1=O)C1=N[N-]N=N1	REAL250004599142	0	42	-1.0	-44.82	312.02	1.17	-43.65
CC(C)CC(NC(=O)C1CCCCNC1=O)C1=NN=N[N-]1	REAL250004599142	1	42	-1.0	-44.82	312.08	1.18	-43.64
CC(C)CC(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004599143	0	34	-1.0	-56.25	291.24	3.74	-52.51
CC(C)CC(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004599143	1	34	-1.0	-56.20	291.18	3.73	-52.47
COCC(C)(O)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599144	0	42	-1.0	-50.19	335.40	0.31	-49.88
COCC(C)(O)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599144	1	42	-1.0	-50.21	335.46	0.32	-49.89
CCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CS1	REAL250004599145	0	38	-1.0	-46.04	321.21	4.65	-41.39
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CS1	REAL250004599145	1	38	-1.0	-45.99	321.27	4.67	-41.32
CCC1=NOC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004599147	0	39	-1.0	-54.92	322.18	3.35	-51.57
CCC1=NOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004599147	1	39	-1.0	-54.95	322.24	3.37	-51.58
CC(C)CC(NC(=O)C(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004599148	0	42	-1.0	-42.88	330.88	2.72	-40.16
CC(C)CC(NC(=O)C(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004599148	1	42	-1.0	-42.92	330.94	2.74	-40.18
CCC1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL250004599149	0	40	-1.0	-48.20	331.69	3.88	-44.32
CCC1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL250004599149	1	40	-1.0	-48.21	331.75	3.90	-44.31
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SN=C1	REAL250004599150	0	34	-1.0	-43.36	296.65	2.49	-40.87
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SN=C1	REAL250004599150	1	34	-1.0	-43.37	296.59	2.47	-40.90
C#CCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599151	0	34	-1.0	-50.95	296.47	2.71	-48.24
C#CCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599151	1	34	-1.0	-50.99	296.53	2.73	-48.26
CC(C)CC(NC(=O)[C@H]1CC(=O)N1)C1=N[N-]N=N1	REAL250004599152	0	33	-1.0	-50.24	281.09	-1.42	-51.66
CC(C)CC(NC(=O)[C@H]1CC(=O)N1)C1=NN=N[N-]1	REAL250004599152	1	33	-1.0	-50.29	281.15	-1.41	-51.70
CC(C)CC(NC(=O)C1CC(=O)NC1(C)C)C1=N[N-]N=N1	REAL250004599153	0	42	-1.0	-45.93	334.50	0.72	-45.21
CC(C)CC(NC(=O)C1CC(=O)NC1(C)C)C1=NN=N[N-]1	REAL250004599153	1	42	-1.0	-45.97	334.55	0.73	-45.24
CC(C)CC(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=N[N-]N=N1	REAL250004599154	0	40	-1.0	-50.38	324.03	0.92	-49.46
CC(C)CC(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=NN=N[N-]1	REAL250004599154	1	40	-1.0	-50.39	324.08	0.93	-49.46
CC(C)CC(NC(=O)CC1CC(C)OC1C)C1=N[N-]N=N1	REAL250004599155	0	45	-1.0	-44.14	346.99	3.26	-40.88
CC(C)CC(NC(=O)CC1CC(C)OC1C)C1=NN=N[N-]1	REAL250004599155	1	45	-1.0	-44.15	347.05	3.27	-40.88
CC(C)CC(NC(=O)C1=COC(Cl)=C1)C1=N[N-]N=N1	REAL250004599156	0	32	-1.0	-46.02	292.00	2.78	-43.24
CC(C)CC(NC(=O)C1=COC(Cl)=C1)C1=NN=N[N-]1	REAL250004599156	1	32	-1.0	-46.01	292.05	2.79	-43.22
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC(F)=C1	REAL250004599157	0	35	-1.0	-42.07	306.99	3.99	-38.08
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC(F)=C1	REAL250004599157	1	35	-1.0	-42.08	307.05	4.01	-38.07
CC(C)CC(NC(=O)C1C2C3CC1CC32)C1=N[N-]N=N1	REAL250004599158	0	40	-1.0	-47.16	313.68	4.78	-42.38
CC(C)CC(NC(=O)C1C2C3CC1CC32)C1=NN=N[N-]1	REAL250004599158	1	40	-1.0	-47.13	313.74	4.80	-42.33
CC(C)CCCOCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004599159	0	47	-1.0	-48.21	372.71	5.08	-43.13
CC(C)CCCOCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004599159	1	47	-1.0	-48.18	372.77	5.10	-43.08
CC(C)CC(NC(=O)C=CC1CCC1)C1=N[N-]N=N1	REAL250004599160	0	39	-1.0	-45.71	318.09	4.58	-41.13
CC(C)CC(NC(=O)C=CC1CCC1)C1=NN=N[N-]1	REAL250004599160	1	39	-1.0	-45.72	318.15	4.60	-41.12
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CN1C	REAL250004599161	0	39	-1.0	-53.43	320.47	4.22	-49.21
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CN1C	REAL250004599161	1	39	-1.0	-53.46	320.53	4.24	-49.22
CC(C)CC(NC(=O)CC1=CN=NS1)C1=N[N-]N=N1	REAL250004599162	0	33	-1.0	-47.77	294.88	1.49	-46.28
CC(C)CC(NC(=O)CC1=CN=NS1)C1=NN=N[N-]1	REAL250004599162	1	33	-1.0	-47.77	294.94	1.50	-46.27
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004599164	0	42	-1.0	-46.10	344.04	6.18	-39.92
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004599164	1	42	-1.0	-46.08	344.09	6.20	-39.88
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)CO1	REAL250004599167	0	42	-1.0	-45.37	317.97	4.04	-41.33
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)CO1	REAL250004599167	1	42	-1.0	-45.40	318.03	4.06	-41.34
CC(C)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004599168	0	34	-1.0	-52.00	303.33	4.16	-47.84
CC(C)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004599168	1	34	-1.0	-51.99	303.27	4.15	-47.84
CCCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004599169	0	35	-1.0	-47.93	296.99	2.86	-45.07
CCCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004599169	1	35	-1.0	-47.98	297.05	2.87	-45.11
CCCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004599170	0	35	-1.0	-37.54	307.56	2.67	-34.87
CCCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004599170	1	35	-1.0	-37.50	307.63	2.68	-34.82
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C)C1=O	REAL250004599171	0	36	-1.0	-56.05	294.13	2.41	-53.64
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C)C1=O	REAL250004599171	1	36	-1.0	-56.04	294.19	2.43	-53.61
CSCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599172	0	35	-1.0	-52.31	310.16	5.34	-46.97
CSCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599172	1	35	-1.0	-52.06	310.22	5.36	-46.70
CSCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599173	0	32	-1.0	-36.09	296.00	2.26	-33.83
CSCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599173	1	32	-1.0	-36.05	296.07	2.27	-33.78
CC(CCC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004599174	0	43	-1.0	-46.63	337.16	4.69	-41.94
CC(CCC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004599174	1	43	-1.0	-46.66	337.22	4.70	-41.96
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1CC1	REAL250004599175	0	39	-1.0	-48.19	313.04	6.61	-41.58
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1CC1	REAL250004599175	1	39	-1.0	-48.17	313.10	6.62	-41.55
COC(C)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004599176	0	41	-1.0	-45.10	319.14	4.26	-40.84
COC(C)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004599176	1	41	-1.0	-45.14	319.19	4.27	-40.87
CN1CC(NC(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004599177	0	36	-1.0	-51.27	297.74	1.18	-50.09
CN1CC(NC(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004599177	1	36	-1.0	-51.33	297.80	1.20	-50.13
CC(C)N1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004599178	0	38	-1.0	-49.40	322.18	2.55	-46.85
CC(C)N1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004599178	1	38	-1.0	-49.46	322.24	2.57	-46.89
CC1=CC=C(CC(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004599179	0	38	-1.0	-48.92	332.61	5.10	-43.82
CC1=CC=C(CC(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004599179	1	38	-1.0	-48.91	332.67	5.11	-43.80
CC1=CC=C(C(C)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004599180	0	41	-1.0	-47.97	337.59	5.51	-42.46
CC1=CC=C(C(C)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004599180	1	41	-1.0	-47.99	337.65	5.53	-42.46
CC1=CC=CC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004599181	0	41	-1.0	-45.75	326.77	5.44	-40.31
CC1=CC=CC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004599181	1	41	-1.0	-45.79	326.83	5.45	-40.34
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2F)CC1	REAL250004599182	0	36	-1.0	-46.23	310.40	4.70	-41.53
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2F)CC1	REAL250004599182	1	36	-1.0	-46.25	310.45	4.71	-41.54
CSCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599183	0	35	-1.0	-55.16	308.64	5.56	-49.60
CSCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599183	1	35	-1.0	-54.93	308.72	5.58	-49.35
CSCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599184	0	32	-1.0	-37.51	294.49	2.46	-35.05
CSCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599184	1	32	-1.0	-37.48	294.56	2.47	-35.01
CSCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599185	0	35	-1.0	-50.15	297.56	4.58	-45.57
CSCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599185	1	35	-1.0	-50.20	297.61	4.60	-45.60
CSCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599186	0	35	-1.0	-38.51	305.34	4.98	-33.53
CSCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599186	1	35	-1.0	-38.47	305.40	5.00	-33.47
CCCCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004599187	0	41	-1.0	-45.55	335.89	2.94	-42.61
CCCCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004599187	1	41	-1.0	-45.52	335.94	2.96	-42.56
CCOC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004599188	0	41	-1.0	-47.21	337.60	4.41	-42.80
CCOC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004599188	1	41	-1.0	-47.22	337.65	4.43	-42.79
N#CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004599189	0	36	-1.0	-51.41	294.64	4.80	-46.61
N#CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004599189	1	36	-1.0	-51.46	294.70	4.82	-46.64
N#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004599190	0	36	-1.0	-39.27	300.97	5.31	-33.96
N#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004599190	1	36	-1.0	-39.27	301.04	5.31	-33.96
CCC(C)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599191	0	40	-1.0	-53.13	319.77	6.30	-46.83
CCC(C)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599191	1	40	-1.0	-52.86	319.83	6.33	-46.53
CCC(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599192	0	37	-1.0	-35.04	301.25	2.91	-32.13
CCC(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599192	1	37	-1.0	-35.05	301.31	2.92	-32.13
O=C(NC1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599193	0	36	-1.0	-53.66	297.66	6.01	-47.65
O=C(NC1CC=CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599193	1	36	-1.0	-53.47	297.76	6.01	-47.46
O=C(NC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599194	0	33	-1.0	-35.37	283.90	2.89	-32.48
O=C(NC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599194	1	33	-1.0	-35.32	283.97	2.89	-32.43
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CCCC21	REAL250004599195	0	36	-1.0	-58.12	289.02	6.64	-51.48
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CCCC21	REAL250004599195	1	36	-1.0	-57.91	289.12	6.65	-51.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCCC21	REAL250004599196	0	33	-1.0	-38.10	276.58	4.14	-33.96
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCCC21	REAL250004599196	1	33	-1.0	-38.15	276.65	4.15	-34.00
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1O	REAL250004599197	0	39	-1.0	-48.67	311.05	0.60	-48.07
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1O	REAL250004599197	1	39	-1.0	-48.70	311.11	0.62	-48.08
CCC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004599198	0	41	-1.0	-47.00	320.49	4.41	-42.59
CCC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004599198	1	41	-1.0	-47.05	320.55	4.43	-42.62
COC(=O)C(C)(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004599199	0	38	-1.0	-44.79	311.49	3.15	-41.64
COC(=O)C(C)(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004599199	1	38	-1.0	-44.78	311.56	3.17	-41.61
CCC(C1=CC=NC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599200	0	40	-1.0	-48.41	324.19	5.84	-42.57
CCC(C1=CC=NC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599200	1	40	-1.0	-48.41	324.25	5.85	-42.56
CC(C)CC1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599201	0	47	-1.0	-47.04	343.60	6.79	-40.25
CC(C)CC1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599201	1	47	-1.0	-47.02	343.66	6.80	-40.22
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NOC=N1	REAL250004599202	0	37	-1.0	-52.46	300.70	1.61	-50.85
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NOC=N1	REAL250004599202	1	37	-1.0	-52.51	300.76	1.64	-50.87
N#CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004599203	0	35	-1.0	-50.29	292.10	1.60	-48.69
N#CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004599203	1	35	-1.0	-50.27	292.16	1.62	-48.65
N#CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004599204	0	35	-1.0	-40.76	298.62	1.67	-39.09
N#CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004599204	1	35	-1.0	-40.75	298.69	1.67	-39.08
C#CCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004599205	0	39	-1.0	-47.06	310.87	3.73	-43.33
C#CCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004599205	1	39	-1.0	-47.04	310.93	3.75	-43.29
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=CC=CC=C2O1	REAL250004599206	0	38	-1.0	-52.28	328.47	4.76	-47.52
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=CC=CC=C2O1	REAL250004599206	1	38	-1.0	-52.29	328.53	4.77	-47.52
CSCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004599207	0	35	-1.0	-46.36	305.16	3.46	-42.90
CSCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004599207	1	35	-1.0	-46.35	305.22	3.48	-42.87
CSCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599208	0	35	-1.0	-35.44	315.75	3.26	-32.18
CSCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599208	1	35	-1.0	-35.39	315.82	3.28	-32.11
COC1COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004599209	0	37	-1.0	-46.39	302.93	0.25	-46.14
COC1COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004599209	1	37	-1.0	-46.41	302.99	0.27	-46.14
C=C(Cl)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599210	0	29	-1.0	-50.82	273.50	4.41	-46.41
C=C(Cl)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599210	1	29	-1.0	-50.61	273.57	4.44	-46.17
C=C(Cl)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599211	0	26	-1.0	-35.57	259.34	1.32	-34.25
C=C(Cl)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599211	1	26	-1.0	-35.57	259.41	1.33	-34.24
CSCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599212	0	38	-1.0	-46.47	318.64	5.40	-41.07
CSCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599212	1	38	-1.0	-46.52	318.69	5.41	-41.11
CSCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004599213	0	35	-1.0	-48.65	306.90	3.24	-45.41
CSCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599213	1	35	-1.0	-48.70	306.96	3.26	-45.44
CSCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599214	0	35	-1.0	-36.38	317.50	3.04	-33.34
CSCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599214	1	35	-1.0	-36.37	317.56	3.05	-33.32
CC1=NOC(C)=C1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004599215	0	40	-1.0	-53.79	333.77	4.01	-49.78
CC1=NOC(C)=C1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004599215	1	40	-1.0	-53.83	333.83	4.03	-49.80
CC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004599216	0	41	-1.0	-48.49	343.40	5.57	-42.92
CC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004599216	1	41	-1.0	-48.48	343.46	5.59	-42.89
CCC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004599217	0	41	-1.0	-48.12	343.47	5.69	-42.43
CCC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004599217	1	41	-1.0	-48.12	343.53	5.70	-42.42
CC1CC(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004599218	0	41	-1.0	-46.18	318.67	4.78	-41.40
CC1CC(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004599218	1	41	-1.0	-46.19	318.72	4.80	-41.39
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004599219	0	37	-1.0	-45.63	313.07	2.82	-42.81
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004599219	1	37	-1.0	-45.60	313.02	2.80	-42.80
C#CCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004599220	0	31	-1.0	-50.46	291.15	3.09	-47.37
C#CCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599220	1	31	-1.0	-50.43	291.21	3.11	-47.32
C#CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599221	0	31	-1.0	-37.51	301.74	2.88	-34.63
C#CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599221	1	31	-1.0	-37.46	301.81	2.90	-34.56
NC(=O)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004599222	0	36	-1.0	-51.98	314.31	-0.24	-52.22
NC(=O)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004599222	1	36	-1.0	-51.92	314.25	-0.25	-52.17
NC(=O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599224	0	32	-1.0	-64.26	281.60	0.15	-64.11
NC(=O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599224	1	32	-1.0	-64.05	281.67	0.17	-63.88
NC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599225	0	29	-1.0	-42.29	267.45	-2.94	-45.23
NC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599225	1	29	-1.0	-42.31	267.51	-2.93	-45.24
CC1=NNC(=S)N1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004599226	0	35	-1.0	-59.01	317.41	3.16	-55.85
CC1=NNC(=S)N1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004599226	1	35	-1.0	-59.03	317.47	3.17	-55.86
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)(F)F)C1	REAL250004599228	0	33	-1.0	-47.60	287.33	2.35	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)(F)F)C1	REAL250004599228	1	33	-1.0	-47.54	287.39	2.37	-45.17
CC(=O)NCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004599229	0	40	-1.0	-52.73	329.66	0.31	-52.42
CC(=O)NCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004599229	1	40	-1.0	-52.75	329.72	0.33	-52.42
O=C(NCC1(O)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599230	0	36	-1.0	-52.99	300.60	2.39	-50.60
O=C(NCC1(O)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599230	1	36	-1.0	-52.82	300.70	2.41	-50.41
O=C(NCC1(O)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599231	0	33	-1.0	-35.62	286.83	-0.72	-36.34
O=C(NCC1(O)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599231	1	33	-1.0	-35.61	286.89	-0.72	-36.33
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCCCC1	REAL250004599232	0	39	-1.0	-47.35	307.11	1.05	-46.30
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCCCC1	REAL250004599232	1	39	-1.0	-47.32	307.17	1.06	-46.26
O=C(NCC1=CNC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599233	0	32	-1.0	-57.35	282.82	3.94	-53.41
O=C(NCC1=CNC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599233	1	32	-1.0	-57.15	282.92	3.96	-53.19
O=C(NCC1=CNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599234	0	29	-1.0	-40.86	269.04	0.83	-40.03
O=C(NCC1=CNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599234	1	29	-1.0	-40.85	269.10	0.83	-40.02
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC(F)=C2)CC1	REAL250004599235	0	36	-1.0	-51.60	313.64	4.80	-46.80
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC(F)=C2)CC1	REAL250004599235	1	36	-1.0	-51.60	313.70	4.82	-46.78
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(SC=C2)S1	REAL250004599236	0	28	-1.0	-47.48	275.35	3.00	-44.48
CN1C=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004599237	0	33	-1.0	-50.00	296.93	-0.02	-50.02
CN1C=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004599237	1	33	-1.0	-49.97	296.99	-0.01	-49.98
CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599238	0	34	-1.0	-38.52	280.96	5.99	-32.53
CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599238	1	34	-1.0	-38.41	281.06	6.01	-32.40
CN(CC1=CN=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004599239	0	33	-1.0	-53.16	286.61	1.90	-51.26
CN(CC1=CN=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004599239	1	33	-1.0	-53.15	286.66	1.92	-51.23
CN(CC1=CN=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599240	0	33	-1.0	-40.90	294.57	2.32	-38.58
CN(CC1=CN=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599240	1	33	-1.0	-40.84	294.64	2.33	-38.51
COCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004599241	0	36	-1.0	-47.21	297.52	2.53	-44.68
COCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004599241	1	36	-1.0	-47.23	297.57	2.55	-44.68
COCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004599242	0	36	-1.0	-37.79	304.43	2.70	-35.09
COCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004599242	1	36	-1.0	-37.77	304.49	2.70	-35.07
CN(CC1=NOC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004599243	0	31	-1.0	-56.08	271.89	2.91	-53.17
CN(CC1=NOC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004599243	1	31	-1.0	-56.06	271.95	2.92	-53.14
CN(CC1=NOC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599244	0	34	-1.0	-64.28	293.98	5.43	-58.85
CN(CC1=NOC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599244	1	34	-1.0	-64.07	294.07	5.45	-58.62
CN(CC1=NOC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599245	0	31	-1.0	-42.30	279.85	3.31	-38.99
CN(CC1=NOC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599245	1	31	-1.0	-42.29	279.92	3.33	-38.96
C=CCCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599246	0	41	-1.0	-47.61	336.07	6.25	-41.36
C=CCCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599246	1	41	-1.0	-47.60	336.13	6.27	-41.33
CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C(N)=O	REAL250004599247	0	36	-1.0	-51.75	309.57	0.64	-51.11
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C(N)=O	REAL250004599247	1	36	-1.0	-51.72	309.62	0.65	-51.07
CC(C)C1=NN=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004599248	0	40	-1.0	-56.44	337.78	4.60	-51.84
CC(C)C1=NN=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004599248	1	40	-1.0	-56.45	337.83	4.62	-51.83
CC1=NN=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004599249	0	34	-1.0	-57.11	296.15	3.56	-53.55
CC1=NN=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004599249	1	34	-1.0	-57.14	296.20	3.58	-53.56
CC1=NN=CN1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599250	0	34	-1.0	-43.54	306.74	3.35	-40.19
CC1=NN=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599250	1	34	-1.0	-43.51	306.81	3.37	-40.14
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=N2)N=C1	REAL250004599251	0	35	-1.0	-51.91	308.40	3.86	-48.05
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=N2)N=C1	REAL250004599251	1	35	-1.0	-51.89	308.34	3.85	-48.04
N#CCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004599252	0	33	-1.0	-51.79	297.48	3.46	-48.33
N#CCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004599252	1	33	-1.0	-51.78	297.43	3.44	-48.34
CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004599253	0	40	-1.0	-46.38	317.40	3.69	-42.69
CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599253	1	40	-1.0	-46.39	317.46	3.71	-42.68
CC(C)(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599254	0	40	-1.0	-34.76	328.00	3.49	-31.27
CC(C)(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599254	1	40	-1.0	-34.71	328.06	3.50	-31.21
CC1=NOC(C)=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004599255	0	37	-1.0	-46.59	309.96	3.18	-43.41
CC1=NOC(C)=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004599255	1	37	-1.0	-46.58	310.02	3.20	-43.38
CC(CNC(=O)CCCC1=N[N-]N=N1)CN1C=CN=C1	REAL250004599256	0	38	-1.0	-49.68	317.85	4.12	-45.56
CC(CNC(=O)CCCC1=NN=N[N-]1)CN1C=CN=C1	REAL250004599256	1	38	-1.0	-49.68	317.91	4.14	-45.54
CC1(C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599257	0	35	-1.0	-58.09	286.09	5.74	-52.35
CC1(C)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599257	1	35	-1.0	-57.88	286.19	5.76	-52.12
CC1(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599258	0	32	-1.0	-37.98	274.20	3.22	-34.76
CC1(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599258	1	32	-1.0	-37.97	274.27	3.23	-34.74
CCC1=NN=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004599259	0	37	-1.0	-56.65	317.63	4.17	-52.48
CCC1=NN=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004599259	1	37	-1.0	-56.66	317.69	4.18	-52.48
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004599260	0	33	-1.0	-48.24	299.94	3.87	-44.37
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004599260	1	33	-1.0	-48.26	299.99	3.89	-44.37
O=C(CCCC1=N[N-]N=N1)NC1CSC2=CC=CC=C21	REAL250004599261	0	34	-1.0	-45.35	302.30	4.42	-40.93
O=C(CCCC1=NN=N[N-]1)NC1CSC2=CC=CC=C21	REAL250004599261	1	34	-1.0	-45.40	302.36	4.43	-40.97
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(COCC2)S1	REAL250004599262	0	33	-1.0	-46.38	292.12	1.70	-44.68
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(COCC2)S1	REAL250004599262	1	33	-1.0	-46.35	292.17	1.72	-44.63
CC(CCC1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004599263	0	44	-1.0	-46.78	346.13	5.61	-41.17
CC(CCC1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004599263	1	44	-1.0	-46.79	346.19	5.63	-41.16
CC(C)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004599264	0	40	-1.0	-46.35	322.73	4.07	-42.28
CC(C)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599264	1	40	-1.0	-46.36	322.79	4.09	-42.27
CC(C)CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599265	0	40	-1.0	-34.79	333.33	3.87	-30.92
CC(C)CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599265	1	40	-1.0	-34.82	333.40	3.88	-30.94
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CN(C)N=C1	REAL250004599266	0	35	-1.0	-59.86	293.02	5.21	-54.65
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CN(C)N=C1	REAL250004599266	1	35	-1.0	-59.67	293.12	5.22	-54.45
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004599267	0	32	-1.0	-40.30	278.65	3.08	-37.22
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004599267	1	32	-1.0	-40.28	278.59	3.06	-37.22
CCC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004599268	0	38	-1.0	-46.01	314.97	4.95	-41.06
CCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004599268	1	38	-1.0	-45.97	315.03	4.96	-41.01
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004599270	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004599270	1	33	-1.0	-56.70	295.41	3.80	-52.90
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004599271	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004599271	1	33	-1.0	-56.70	295.41	3.80	-52.90
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C2CCOC21	REAL250004599272	0	40	-1.0	-45.42	310.65	3.66	-41.76
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C2CCOC21	REAL250004599272	1	40	-1.0	-45.39	310.71	3.68	-41.71
O=C(NC1CC2CCC1C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599273	0	39	-1.0	-54.28	308.35	7.07	-47.21
O=C(NC1CC2CCC1C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599273	1	39	-1.0	-54.04	308.42	7.08	-46.96
O=C(NC1CC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599274	0	36	-1.0	-35.16	296.83	3.40	-31.76
O=C(NC1CC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599274	1	36	-1.0	-35.11	296.90	3.40	-31.71
COC(=O)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004599275	0	37	-1.0	-51.30	299.17	2.28	-49.02
COC(=O)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004599275	1	37	-1.0	-51.32	299.23	2.30	-49.02
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNN=C2C1	REAL250004599276	0	32	-1.0	-47.73	269.07	0.81	-46.92
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNN=C2C1	REAL250004599276	1	32	-1.0	-47.79	269.13	0.82	-46.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=NNN=C2C1	REAL250004599277	0	32	-1.0	-37.45	276.44	1.04	-36.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=NNN=C2C1	REAL250004599277	1	32	-1.0	-37.41	276.51	1.05	-36.36
CC(C)(C)C(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004599278	0	37	-1.0	-46.58	301.20	3.61	-42.97
CC(C)(C)C(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004599278	1	37	-1.0	-46.57	301.26	3.62	-42.95
CCC(C)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599280	0	44	-1.0	-44.90	320.67	5.76	-39.14
CCC(C)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599280	1	44	-1.0	-44.92	320.72	5.78	-39.14
CCC1COC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004599281	0	39	-1.0	-45.66	302.45	3.20	-42.46
CCC1COC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004599281	1	39	-1.0	-45.66	302.50	3.21	-42.45
O=C(CCCC1=N[N-]N=N1)NCCN1CC=CC1	REAL250004599282	1	35	-1.0	-48.11	292.04	0.14	-47.97
O=C(CCCC1=NN=N[N-]1)NCCN1CC=CC1	REAL250004599282	1	35	-1.0	-48.11	292.10	0.16	-47.95
O=C(NCCN1CC=CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599283	1	38	-1.0	-53.71	314.80	2.87	-50.84
O=C(NCCN1CC=CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599283	1	38	-1.0	-53.87	314.70	2.84	-51.03
O=C(NCCN1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599284	0	35	-1.0	-35.72	300.92	-0.25	-35.97
O=C(NCCN1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599284	1	35	-1.0	-35.66	300.99	-0.26	-35.92
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004599285	0	38	-1.0	-52.65	296.20	7.02	-45.63
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004599285	1	38	-1.0	-52.44	296.29	7.02	-45.42
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004599286	0	35	-1.0	-35.78	282.59	5.30	-30.48
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004599286	1	35	-1.0	-35.76	282.65	5.33	-30.43
O=C(CCCC1=N[N-]N=N1)N1CCCCCC2=CC=CC=C21	REAL250004599287	0	42	-1.0	-45.23	322.74	7.74	-37.49
O=C(CCCC1=NN=N[N-]1)N1CCCCCC2=CC=CC=C21	REAL250004599287	1	42	-1.0	-45.25	322.80	7.76	-37.49
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CCCC1=O	REAL250004599288	0	38	-1.0	-56.04	321.45	1.57	-54.47
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CCCC1=O	REAL250004599288	1	38	-1.0	-56.07	321.51	1.58	-54.49
CCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004599289	0	31	-1.0	-52.18	282.98	3.53	-48.65
CCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004599289	1	31	-1.0	-52.13	282.92	3.52	-48.61
O=C(CCCC1=N[N-]N=N1)NCCCOCC1CCOC1	REAL250004599290	0	43	-1.0	-48.20	352.30	1.44	-46.76
O=C(CCCC1=NN=N[N-]1)NCCCOCC1CCOC1	REAL250004599290	1	43	-1.0	-48.19	352.36	1.45	-46.74
CC1=CC=CC(C(C)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004599291	0	41	-1.0	-47.94	337.59	5.49	-42.45
CC1=CC=CC(C(C)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004599291	1	41	-1.0	-47.99	337.64	5.51	-42.48
CC(C)(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004599292	0	39	-1.0	-47.41	332.52	0.82	-46.59
CC(C)(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004599292	1	39	-1.0	-47.41	332.58	0.84	-46.57
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(O)C1	REAL250004599293	0	39	-1.0	-48.90	312.25	0.54	-48.36
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(O)C1	REAL250004599293	1	39	-1.0	-48.88	312.31	0.56	-48.32
CC(O)CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004599294	0	38	-1.0	-47.08	309.22	0.11	-46.97
CC(O)CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004599294	1	38	-1.0	-47.08	309.28	0.12	-46.96
CC(O)CC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599295	0	38	-1.0	-37.13	319.77	-0.11	-37.24
CC(O)CC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599295	1	38	-1.0	-37.12	319.83	-0.11	-37.23
CC(C)N(C(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004599296	0	38	-1.0	-46.28	286.31	4.84	-41.44
CC(C)N(C(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004599296	1	38	-1.0	-46.28	286.37	4.86	-41.42
CC(C)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004599297	0	38	-1.0	-35.62	302.41	5.46	-30.16
CC(C)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004599297	1	38	-1.0	-35.60	302.47	5.49	-30.11
O=C(CCCC1=N[N-]N=N1)N1CC2C1C1CCC2C1	REAL250004599299	0	37	-1.0	-49.54	283.70	5.64	-43.90
O=C(CCCC1=NN=N[N-]1)N1CC2C1C1CCC2C1	REAL250004599299	1	37	-1.0	-49.54	283.76	5.65	-43.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C1C1CCC2C1	REAL250004599300	0	37	-1.0	-37.50	300.08	5.15	-32.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C1C1CCC2C1	REAL250004599300	1	37	-1.0	-37.42	300.15	5.18	-32.24
COC(=O)CN(CC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004599301	0	32	-1.0	-53.61	292.55	3.70	-49.91
COC(=O)CN(CC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004599301	1	32	-1.0	-53.63	292.61	3.71	-49.92
O=C(CCCC1=N[N-]N=N1)NCC1=CNC(=O)C=C1	REAL250004599302	0	32	-1.0	-52.49	283.68	0.36	-52.13
O=C(CCCC1=NN=N[N-]1)NCC1=CNC(=O)C=C1	REAL250004599302	1	32	-1.0	-52.50	283.74	0.38	-52.12
O=C(NCC1=CNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599303	0	32	-1.0	-42.99	294.28	0.16	-42.83
O=C(NCC1=CNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599303	1	32	-1.0	-42.94	294.35	0.16	-42.78
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004599304	0	37	-1.0	-47.01	305.51	3.15	-43.86
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004599304	1	37	-1.0	-47.00	305.57	3.17	-43.83
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004599306	0	35	-1.0	-49.22	300.78	2.05	-47.17
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004599306	1	35	-1.0	-49.20	300.72	2.03	-47.17
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004599307	0	35	-1.0	-39.44	311.34	1.83	-37.61
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004599307	1	35	-1.0	-39.44	311.41	1.86	-37.58
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004599308	0	34	-1.0	-46.89	297.47	2.38	-44.51
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004599308	1	34	-1.0	-46.96	297.53	2.39	-44.57
CCC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004599309	0	34	-1.0	-37.30	308.07	2.17	-35.13
CCC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004599309	1	34	-1.0	-37.26	308.13	2.17	-35.09
CCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004599310	0	45	-1.0	-51.53	345.00	4.87	-46.66
CCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004599310	1	45	-1.0	-51.58	345.05	4.88	-46.70
CC1=NC=CN1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004599311	0	41	-1.0	-53.93	343.81	4.39	-49.54
CC1=NC=CN1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599311	1	41	-1.0	-53.93	343.86	4.41	-49.52
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=NC=CC=N2)N=C1	REAL250004599312	0	34	-1.0	-56.53	303.96	4.26	-52.27
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=NC=CC=N2)N=C1	REAL250004599312	1	34	-1.0	-56.55	303.91	4.25	-52.30
COC(=O)CC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004599313	0	34	-1.0	-58.88	306.23	3.57	-55.31
COC(=O)CC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004599313	1	34	-1.0	-58.89	306.29	3.58	-55.31
CC1CC2CCCCC2N1C(=O)CCCC1=N[N-]N=N1	REAL250004599314	0	42	-1.0	-47.26	316.68	5.73	-41.53
CC1CC2CCCCC2N1C(=O)CCCC1=NN=N[N-]1	REAL250004599314	1	42	-1.0	-47.32	316.74	5.75	-41.57
CC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004599315	0	34	-1.0	-52.15	292.55	4.43	-47.72
CC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004599315	1	34	-1.0	-52.11	292.61	4.44	-47.67
CC1=CC=CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004599316	0	34	-1.0	-37.18	292.61	5.31	-31.87
CC1=CC=CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004599316	1	34	-1.0	-37.16	292.68	5.32	-31.84
CC1CCCC(C#N)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004599317	0	39	-1.0	-53.87	313.01	3.49	-50.38
CC1CCCC(C#N)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004599317	1	39	-1.0	-53.89	313.06	3.50	-50.39
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=C(F)C(F)=C1	REAL250004599318	0	29	-1.0	-48.02	272.01	3.54	-44.48
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=C(F)C(F)=C1	REAL250004599318	1	29	-1.0	-48.00	272.06	3.56	-44.44
CSCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004599319	0	36	-1.0	-46.40	310.55	-0.13	-46.53
CSCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004599319	1	36	-1.0	-46.43	310.61	-0.11	-46.54
CC(C)C1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599320	1	43	-1.0	-44.73	318.07	2.66	-42.07
CC(C)C1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599320	1	43	-1.0	-44.72	318.13	2.68	-42.04
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCCCCC1	REAL250004599321	0	42	-1.0	-47.07	317.28	1.77	-45.30
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCCCCC1	REAL250004599321	1	42	-1.0	-47.13	317.33	1.78	-45.35
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2CCCC2)=C1	REAL250004599322	0	39	-1.0	-47.38	317.66	3.98	-43.40
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2CCCC2)=C1	REAL250004599322	1	39	-1.0	-47.42	317.72	4.00	-43.42
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004599323	0	33	-1.0	-48.36	273.66	1.69	-46.67
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004599323	1	33	-1.0	-48.35	273.71	1.71	-46.64
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004599324	0	33	-1.0	-40.55	281.05	1.90	-38.65
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004599324	1	33	-1.0	-40.53	281.11	1.91	-38.62
CC1CC(C)N(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004599325	0	38	-1.0	-38.75	301.71	6.67	-32.08
CC1CC(C)N(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004599325	1	38	-1.0	-38.65	301.81	6.68	-31.97
CC1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004599326	0	35	-1.0	-36.16	288.65	4.44	-31.72
CC1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004599326	1	35	-1.0	-36.18	288.72	4.44	-31.74
CCC(COC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599328	0	38	-1.0	-50.95	310.49	3.98	-46.97
CCC(COC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004599328	1	38	-1.0	-50.78	310.56	4.00	-46.78
CCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599329	0	35	-1.0	-35.85	296.34	0.87	-34.98
CCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599329	1	35	-1.0	-35.77	296.40	0.88	-34.89
CC1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599330	0	33	-1.0	-45.15	271.29	4.08	-41.07
CC1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599330	1	33	-1.0	-45.17	271.35	4.09	-41.08
CC1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004599331	0	33	-1.0	-33.94	279.53	4.25	-29.69
CC1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599331	1	33	-1.0	-33.92	279.60	4.26	-29.66
C=CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004599332	0	32	-1.0	-45.86	280.78	4.53	-41.33
C=CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004599332	1	32	-1.0	-45.74	280.88	4.52	-41.22
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL250004599333	0	30	-1.0	-46.11	267.70	6.02	-40.09
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL250004599333	1	30	-1.0	-46.07	267.80	6.01	-40.06
O=C(CCC1=CC=C(Cl)C=C1Cl)NC1=N[N-]N=N1	REAL250004599334	0	26	-1.0	-42.83	264.03	6.19	-36.64
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COC1=CC=CC(C(=O)NCC(=O)NC2=N[N-]N=N2)=C1	REAL250004599393	0	31	-1.0	-44.30	275.97	1.60	-42.70
COC1=CC=CC(C(=O)NCC(=O)NC2=NN=N[N-]2)=C1	REAL250004599393	1	31	-1.0	-44.34	275.88	1.61	-42.73
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NC1=N[N-]N=N1	REAL250004599394	0	30	-1.0	-43.69	272.51	0.98	-42.71
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NC1=NN=N[N-]1	REAL250004599394	1	30	-1.0	-43.71	272.42	0.99	-42.72
CCOC1=CC=C(C(=O)NCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599395	0	34	-1.0	-42.50	297.75	2.54	-39.96
CCOC1=CC=C(C(=O)NCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599395	1	34	-1.0	-42.61	297.66	2.55	-40.06
CCOC(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004599396	0	34	-1.0	-45.26	283.28	3.58	-41.68
CCOC(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004599396	1	34	-1.0	-45.32	283.19	3.60	-41.72
CCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599397	0	33	-1.0	-44.12	281.66	5.63	-38.49
CCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599397	1	33	-1.0	-44.06	281.76	5.63	-38.43
O=C(CCSC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004599398	0	27	-1.0	-43.27	267.35	6.18	-37.09
O=C(CCSC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599398	1	27	-1.0	-43.30	267.26	6.20	-37.10
CCOC(=O)C1=C(C)NC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004599399	0	33	-1.0	-46.44	292.11	4.47	-41.97
CCOC(=O)C1=C(C)NC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004599399	1	33	-1.0	-46.38	292.21	4.46	-41.92
O=C(CCN1C(=O)C2CCCCC2C1=O)NC1=N[N-]N=N1	REAL250004599400	0	36	-1.0	-47.74	301.18	4.14	-43.60
O=C(CCN1C(=O)C2CCCCC2C1=O)NC1=NN=N[N-]1	REAL250004599400	1	36	-1.0	-47.82	301.08	4.16	-43.66
CC1=NC2=CC=CC=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599401	0	28	-1.0	-44.69	245.18	4.79	-39.90
CC1=NC2=CC=CC=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599401	1	28	-1.0	-44.61	245.28	4.79	-39.82
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004599402	0	26	-1.0	-49.30	250.23	5.66	-43.64
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004599402	1	26	-1.0	-49.43	250.13	5.66	-43.77
O=C(CC1=CC=C(Br)C=C1)NC1=N[N-]N=N1	REAL250004599403	0	23	-1.0	-43.95	233.44	5.09	-38.86
O=C(CC1=CC=C(Br)C=C1)NC1=NN=N[N-]1	REAL250004599403	1	23	-1.0	-44.06	233.35	5.11	-38.95
COC1=CC=C(C(=O)NCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599404	0	31	-1.0	-42.83	275.89	1.60	-41.23
COC1=CC=C(C(=O)NCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599404	1	31	-1.0	-42.87	275.80	1.61	-41.26
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=CC=CC=C21	REAL250004599405	0	26	-1.0	-44.32	234.21	2.88	-41.44
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC2=CC=CC=C21	REAL250004599405	1	26	-1.0	-44.24	234.30	2.87	-41.37
O=C(CCSC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599406	0	27	-1.0	-42.43	269.06	6.25	-36.18
O=C(CCSC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599406	1	27	-1.0	-42.52	268.97	6.27	-36.25
O=C(CCC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004599407	0	28	-1.0	-46.23	265.21	4.70	-41.53
O=C(CCC1=NC2=CC=CC=C2S1)NC1=NN=N[N-]1	REAL250004599407	1	28	-1.0	-46.28	265.12	4.72	-41.56
O=C(COC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004599408	0	24	-1.0	-49.82	237.09	4.86	-44.96
O=C(COC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599408	1	24	-1.0	-49.91	237.00	4.87	-45.04
CC1=CC=C(SCCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004599409	0	33	-1.0	-44.09	290.73	6.95	-37.14
CC1=CC=C(SCCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004599409	1	33	-1.0	-44.17	290.64	6.96	-37.21
O=C(NC1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL250004599410	0	34	-1.0	-46.53	298.67	7.09	-39.44
O=C(NC1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL250004599410	1	34	-1.0	-46.47	298.77	7.07	-39.40
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CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1C	REAL250004599412	0	37	-1.0	-47.35	314.10	8.64	-38.71
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1C	REAL250004599412	1	37	-1.0	-47.24	314.28	8.62	-38.62
CCOC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599413	0	31	-1.0	-47.84	272.42	4.53	-43.31
CCOC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599413	1	31	-1.0	-47.91	272.32	4.54	-43.37
CC1SC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2NC1=O	REAL250004599414	0	29	-1.0	-44.85	266.84	3.54	-41.31
CC1SC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2NC1=O	REAL250004599414	1	29	-1.0	-44.81	266.94	3.54	-41.27
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=N[N-]N=N1	REAL250004599415	0	29	-1.0	-58.56	268.76	5.83	-52.73
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=NN=N[N-]1	REAL250004599415	1	29	-1.0	-58.63	268.67	5.84	-52.79
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL250004599416	0	26	-1.0	-41.16	262.77	5.35	-35.81
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL250004599416	1	26	-1.0	-41.10	262.86	5.34	-35.76
CC1=CC(C)=CC(C(=O)NCC(=O)NC2=N[N-]N=N2)=C1	REAL250004599417	0	33	-1.0	-42.92	289.30	3.63	-39.29
CC1=CC(C)=CC(C(=O)NCC(=O)NC2=NN=N[N-]2)=C1	REAL250004599417	1	33	-1.0	-43.00	289.21	3.64	-39.36
O=C(CNC(=O)C1CCCCC1)NC1=N[N-]N=N1	REAL250004599418	0	33	-1.0	-41.12	272.28	2.55	-38.57
O=C(CNC(=O)C1CCCCC1)NC1=NN=N[N-]1	REAL250004599418	1	33	-1.0	-41.16	272.18	2.56	-38.60
CCOC1=CC=CC=C1C(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004599419	0	34	-1.0	-46.19	295.67	3.78	-42.41
CCOC1=CC=CC=C1C(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004599419	1	34	-1.0	-46.27	295.58	3.79	-42.48
O=C(CNC(=O)C1=CC=CS1)NC1=N[N-]N=N1	REAL250004599420	0	24	-1.0	-42.59	238.64	1.30	-41.29
O=C(CNC(=O)C1=CC=CS1)NC1=NN=N[N-]1	REAL250004599420	1	24	-1.0	-42.67	238.54	1.31	-41.36
O=C(CNC(=O)C1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004599421	0	27	-1.0	-42.32	252.91	2.37	-39.95
O=C(CNC(=O)C1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004599421	1	27	-1.0	-42.38	252.81	2.38	-40.00
O=C(C=CC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004599422	0	24	-1.0	-44.78	243.33	5.61	-39.17
O=C(C=CC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004599422	1	24	-1.0	-44.81	243.23	5.62	-39.19
CCN1N=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004599423	0	31	-1.0	-41.67	273.24	4.16	-37.51
CCN1N=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004599423	1	31	-1.0	-41.61	273.34	4.16	-37.45
O=C(CSC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599424	0	24	-1.0	-43.49	247.39	5.47	-38.02
O=C(CSC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599424	1	24	-1.0	-43.59	247.30	5.47	-38.12
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=NN=N[N-]1	REAL250004599425	0	29	-1.0	-52.33	275.73	5.45	-46.88
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=N[N-]N=N1	REAL250004599425	1	29	-1.0	-52.26	275.82	5.44	-46.82
O=C(NC1=NN=N[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL250004599426	0	34	-1.0	-49.32	282.08	6.30	-43.02
O=C(NC1=N[N-]N=N1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL250004599426	1	34	-1.0	-49.26	282.17	6.28	-42.98
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL250004599427	0	31	-1.0	-50.18	265.02	4.94	-45.24
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2=O)C=C1	REAL250004599427	1	31	-1.0	-50.14	265.12	4.93	-45.21
CC1CCC2=C(C1)C1=CC(C(=O)NC3=NN=N[N-]3)=CC=C1N2	REAL250004599428	0	37	-1.0	-49.32	303.08	6.90	-42.42
CC1CCC2=C(C1)C1=CC(C(=O)NC3=N[N-]N=N3)=CC=C1N2	REAL250004599428	1	37	-1.0	-49.27	303.18	6.89	-42.38
CC(C)COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599429	0	33	-1.0	-47.28	280.34	5.54	-41.74
CC(C)COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599429	1	33	-1.0	-47.24	280.44	5.50	-41.74
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL250004599430	0	36	-1.0	-44.14	289.19	7.61	-36.53
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL250004599430	1	36	-1.0	-44.07	289.29	7.58	-36.49
CC(C)OCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599431	0	33	-1.0	-45.48	284.59	5.25	-40.23
CC(C)OCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599431	1	33	-1.0	-45.38	284.69	5.24	-40.14
CN1C(=O)NC(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004599432	0	28	-1.0	-44.57	256.64	1.30	-43.27
CN1C(=O)NC(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004599432	1	28	-1.0	-44.46	256.74	1.30	-43.16
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL250004599433	0	34	-1.0	-47.65	290.75	7.62	-40.03
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL250004599433	1	34	-1.0	-47.46	290.99	7.61	-39.85
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004599434	0	24	-1.0	-42.27	233.30	3.61	-38.66
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004599434	1	24	-1.0	-42.20	233.40	3.61	-38.59
O=C(CCCC1=CNC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004599435	0	33	-1.0	-49.65	286.95	6.11	-43.54
O=C(CCCC1=CNC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004599435	1	33	-1.0	-49.68	286.86	6.13	-43.55
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL250004599436	0	20	-1.0	-44.61	208.71	4.41	-40.20
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL250004599436	1	20	-1.0	-44.56	208.80	4.40	-40.16
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004599437	0	20	-1.0	-41.91	208.69	4.43	-37.48
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004599437	1	20	-1.0	-41.81	208.79	4.41	-37.40
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599438	0	31	-1.0	-50.89	282.13	1.83	-49.06
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599438	1	31	-1.0	-50.78	282.22	1.82	-48.96
CCOC(=O)C1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C)N1	REAL250004599439	0	33	-1.0	-46.56	293.87	4.16	-42.40
CCOC(=O)C1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C)N1	REAL250004599439	1	33	-1.0	-46.51	293.97	4.14	-42.37
CC(=O)C1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599440	0	35	-1.0	-52.46	303.89	5.28	-47.18
CC(=O)C1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599440	1	35	-1.0	-52.52	303.79	5.29	-47.23
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004599441	0	34	-1.0	-45.64	285.78	4.57	-41.07
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004599441	1	34	-1.0	-45.58	285.88	4.55	-41.03
O=C(CN1C(=O)COC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004599442	0	29	-1.0	-51.95	258.64	3.25	-48.70
O=C(CN1C(=O)COC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004599442	1	29	-1.0	-52.05	258.55	3.26	-48.79
CC1=CC(NC(=O)CSCC(=O)NC2=N[N-]N=N2)=NO1	REAL250004599443	0	30	-1.0	-55.06	286.25	3.31	-51.75
CC1=CC(NC(=O)CSCC(=O)NC2=NN=N[N-]2)=NO1	REAL250004599443	1	30	-1.0	-55.10	286.15	3.31	-51.79
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004599444	0	29	-1.0	-50.95	264.15	2.01	-48.94
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004599444	1	29	-1.0	-50.93	264.25	2.00	-48.93
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004599445	0	29	-1.0	-54.13	268.85	-0.72	-54.85
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004599445	1	29	-1.0	-54.00	268.95	-0.75	-54.75
CCN1N=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004599446	0	28	-1.0	-48.94	253.14	3.15	-45.79
CCN1N=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004599446	1	28	-1.0	-48.88	253.24	3.13	-45.75
CN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004599447	0	30	-1.0	-48.40	267.64	5.07	-43.33
CN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004599447	1	30	-1.0	-48.31	267.75	5.07	-43.24
O=C(NC1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL250004599448	0	31	-1.0	-45.11	283.41	5.26	-39.85
O=C(NC1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)O1	REAL250004599448	1	31	-1.0	-45.02	283.51	5.23	-39.79
CS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004599449	1	28	-1.0	-49.46	255.88	0.86	-48.60
CS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004599449	1	28	-1.0	-49.57	255.79	0.87	-48.70
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CCC1=CC=C(C(=O)CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599450	1	34	-1.0	-43.24	296.56	6.56	-36.68
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1C	REAL250004599451	0	31	-1.0	-43.09	265.04	3.23	-39.86
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1C	REAL250004599451	1	31	-1.0	-43.03	265.13	3.21	-39.82
COC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004599452	0	34	-1.0	-46.29	292.29	4.47	-41.82
COC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004599452	1	34	-1.0	-46.40	292.20	4.49	-41.91
CNC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004599453	0	27	-1.0	-49.32	245.11	3.47	-45.85
CNC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004599453	1	27	-1.0	-49.23	245.21	3.47	-45.76
CC(C)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599454	0	33	-1.0	-44.50	282.18	6.90	-37.60
CC(C)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599454	1	33	-1.0	-44.56	282.08	6.90	-37.66
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CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004599456	0	28	-1.0	-49.03	257.63	-0.56	-49.59
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004599456	1	28	-1.0	-49.01	257.73	-0.57	-49.58
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599457	0	25	-1.0	-52.20	246.11	-1.16	-53.36
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599457	1	25	-1.0	-52.12	246.21	-1.18	-53.30
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O=C(CN1C=CC(C(F)(F)F)=N1)NC1=NN=N[N-]1	REAL250004599458	1	23	-1.0	-53.86	233.61	2.91	-50.95
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599459	0	34	-1.0	-42.88	295.36	7.86	-35.02
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599459	1	34	-1.0	-42.77	295.46	7.85	-34.92
O=C(CSCC1=CC=CS1)NC1=N[N-]N=N1	REAL250004599460	0	24	-1.0	-46.44	246.80	4.95	-41.49
O=C(CSCC1=CC=CS1)NC1=NN=N[N-]1	REAL250004599460	1	24	-1.0	-46.49	246.70	4.95	-41.54
CC1=CC=CC(N2N=C(C(=O)NC3=N[N-]N=N3)CCC2=O)=C1	REAL250004599461	0	34	-1.0	-42.14	298.20	5.12	-37.02
CC1=CC=CC(N2N=C(C(=O)NC3=NN=N[N-]3)CCC2=O)=C1	REAL250004599461	1	34	-1.0	-42.19	298.09	5.13	-37.06
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CC1=CC=C(SCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004599464	0	30	-1.0	-44.71	270.57	6.19	-38.52
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CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599469	0	31	-1.0	-51.46	285.03	0.81	-50.65
CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599469	1	31	-1.0	-51.43	285.13	0.80	-50.63
CC(OC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004599470	0	28	-1.0	-47.45	259.28	5.30	-42.15
CC(OC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004599470	1	28	-1.0	-47.53	259.18	5.32	-42.21
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CC(OC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004599472	0	27	-1.0	-45.71	244.88	4.96	-40.75
CC(OC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004599472	1	27	-1.0	-45.75	244.79	4.98	-40.77
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O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004599474	0	27	-1.0	-43.92	260.73	5.99	-37.93
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CCC1(CC)NC(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004599475	0	34	-1.0	-51.86	289.19	2.34	-49.52
CCC1(CC)NC(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004599475	1	34	-1.0	-51.94	289.10	2.35	-49.59
CCOC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=C1O	REAL250004599476	0	28	-1.0	-41.81	265.54	2.41	-39.40
CCOC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=C1O	REAL250004599476	1	28	-1.0	-41.87	265.43	2.43	-39.44
O=C(CSCC(=O)N1CCOCC1)NC1=N[N-]N=N1	REAL250004599477	0	32	-1.0	-55.85	284.97	2.01	-53.84
O=C(CSCC(=O)N1CCOCC1)NC1=NN=N[N-]1	REAL250004599477	1	32	-1.0	-55.94	284.88	2.01	-53.93
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004599478	0	39	-1.0	-46.54	314.64	7.21	-39.33
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004599478	1	39	-1.0	-46.60	314.55	7.23	-39.37
CC1=CC=CC(C(=O)NC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004599479	0	33	-1.0	-42.89	287.47	3.80	-39.09
CC1=CC=CC(C(=O)NC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004599479	1	33	-1.0	-42.99	287.38	3.83	-39.16
CC1=CC=C(C)C(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004599480	0	33	-1.0	-44.02	283.50	5.52	-38.50
CC1=CC=C(C)C(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004599480	1	33	-1.0	-44.10	283.40	5.54	-38.56
COC1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599481	0	31	-1.0	-43.88	271.51	3.39	-40.49
COC1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599481	1	31	-1.0	-43.94	271.42	3.40	-40.54
O=C(COC1=CC=C(Br)C=C1)NC1=N[N-]N=N1	REAL250004599482	0	24	-1.0	-45.83	242.36	4.94	-40.89
O=C(COC1=CC=C(Br)C=C1)NC1=NN=N[N-]1	REAL250004599482	1	24	-1.0	-45.91	242.26	4.95	-40.96
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004599483	0	34	-1.0	-48.29	295.23	7.73	-40.56
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004599483	1	34	-1.0	-48.36	295.13	7.74	-40.62
CCNS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599484	0	31	-1.0	-47.18	285.00	0.82	-46.36
CCNS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599484	1	31	-1.0	-47.10	285.10	0.81	-46.29
O=C(CC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004599485	0	29	-1.0	-46.96	258.17	6.74	-40.22
O=C(CC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004599485	1	29	-1.0	-46.89	258.26	6.73	-40.16
CSC1=CC=C(C(=O)CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599486	0	32	-1.0	-43.39	292.66	6.08	-37.31
CSC1=CC=C(C(=O)CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599486	1	32	-1.0	-43.47	292.57	6.10	-37.37
O=C(C=CC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004599487	0	24	-1.0	-43.72	244.61	5.55	-38.17
O=C(C=CC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004599487	1	24	-1.0	-43.78	244.51	5.56	-38.22
CC(OC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004599488	0	27	-1.0	-45.01	254.43	5.45	-39.56
CC(OC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004599488	1	27	-1.0	-45.08	254.33	5.47	-39.61
O=C(C=CC1=CC=CC=C1Br)NC1=N[N-]N=N1	REAL250004599489	0	24	-1.0	-46.83	240.31	5.50	-41.33
O=C(C=CC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL250004599489	1	24	-1.0	-46.88	240.21	5.50	-41.38
O=C(C=CC1=C(Cl)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004599490	0	24	-1.0	-45.45	252.85	5.91	-39.54
O=C(C=CC1=C(Cl)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599490	1	24	-1.0	-45.52	252.75	5.90	-39.62
CCOC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004599491	0	34	-1.0	-48.38	283.05	3.61	-44.77
CCOC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004599491	1	34	-1.0	-48.47	282.95	3.63	-44.84
CC(C)C1=CC=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004599492	0	33	-1.0	-47.71	279.68	6.29	-41.42
CC(C)C1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004599492	1	33	-1.0	-47.80	279.58	6.30	-41.50
O=C(C=CC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004599493	0	26	-1.0	-45.04	256.96	4.72	-40.32
O=C(C=CC1=NC2=CC=CC=C2S1)NC1=NN=N[N-]1	REAL250004599493	1	26	-1.0	-45.06	256.86	4.73	-40.33
O=C(C=CC1=NC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004599494	0	29	-1.0	-47.03	265.71	5.64	-41.39
O=C(C=CC1=NC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004599494	1	29	-1.0	-46.97	265.81	5.62	-41.35
O=C(CCNC(=O)C1=CC=CO1)NC1=N[N-]N=N1	REAL250004599495	0	27	-1.0	-52.24	252.85	0.94	-51.30
O=C(CCNC(=O)C1=CC=CO1)NC1=NN=N[N-]1	REAL250004599495	1	27	-1.0	-52.30	252.76	0.95	-51.35
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004599496	0	31	-1.0	-49.86	288.29	0.82	-49.04
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004599496	1	31	-1.0	-49.90	288.19	0.83	-49.07
O=C(COC1=C(Cl)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004599497	0	24	-1.0	-48.03	257.06	5.53	-42.50
O=C(COC1=C(Cl)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599497	1	24	-1.0	-48.06	256.97	5.54	-42.52
O=C(CCC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004599498	0	26	-1.0	-44.24	246.12	5.64	-38.60
O=C(CCC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599498	1	26	-1.0	-44.29	246.03	5.66	-38.63
O=C(CCC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004599499	0	26	-1.0	-43.28	254.84	5.89	-37.39
O=C(CCC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004599499	1	26	-1.0	-43.40	254.74	5.91	-37.49
O=C(NC1=NN=N[N-]1)C1=CC=C(C2SCCS2)C=C1	REAL250004599500	0	29	-1.0	-45.61	274.26	6.79	-38.82
O=C(NC1=N[N-]N=N1)C1=CC=C(C2SCCS2)C=C1	REAL250004599500	1	29	-1.0	-45.51	274.35	6.78	-38.73
CS(=O)(=O)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599501	0	29	-1.0	-57.58	272.43	1.99	-55.59
CS(=O)(=O)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599501	1	29	-1.0	-57.51	272.53	1.98	-55.53
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=NN=N2)=C1	REAL250004599502	0	25	-1.0	-58.07	235.66	3.99	-54.08
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=NN=N2)=C1	REAL250004599502	1	25	-1.0	-58.00	235.75	3.96	-54.04
COC1=CC(C=O)=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004599503	0	30	-1.0	-56.56	273.46	3.81	-52.75
COC1=CC(C=O)=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004599503	1	30	-1.0	-56.60	273.36	3.82	-52.78
O=C(CSCC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004599504	0	27	-1.0	-46.69	273.30	6.37	-40.32
O=C(CSCC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004599504	1	27	-1.0	-46.75	273.21	6.37	-40.38
O=C(CSCC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599505	0	27	-1.0	-46.22	273.30	6.38	-39.84
O=C(CSCC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599505	1	27	-1.0	-46.28	273.21	6.38	-39.90
CC1=CC(C(=O)CCC(=O)NC2=N[N-]N=N2)=C(C)S1	REAL250004599506	0	31	-1.0	-42.91	283.99	5.68	-37.23
CC1=CC(C(=O)CCC(=O)NC2=NN=N[N-]2)=C(C)S1	REAL250004599506	1	31	-1.0	-43.05	283.90	5.69	-37.36
O=C(CCCN1C(=O)OC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004599507	0	32	-1.0	-55.22	288.13	5.57	-49.65
O=C(CCCN1C(=O)OC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004599507	1	32	-1.0	-55.28	288.04	5.58	-49.70
O=C(CN1C(=O)OC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004599508	0	26	-1.0	-53.18	245.61	4.37	-48.81
O=C(CN1C(=O)OC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004599508	1	26	-1.0	-53.25	245.52	4.38	-48.87
O=C(NC1=NN=N[N-]1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL250004599509	0	31	-1.0	-48.67	275.89	5.12	-43.55
O=C(NC1=N[N-]N=N1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL250004599509	1	31	-1.0	-48.64	275.99	5.12	-43.52
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004599510	0	27	-1.0	-41.87	263.22	2.81	-39.06
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004599510	1	27	-1.0	-42.01	263.13	2.82	-39.19
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004599511	0	27	-1.0	-43.08	266.04	5.91	-37.17
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004599511	1	27	-1.0	-43.15	265.95	5.93	-37.22
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1=N[N-]N=N1	REAL250004599512	0	32	-1.0	-50.61	278.27	1.55	-49.06
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1=NN=N[N-]1	REAL250004599512	1	32	-1.0	-50.68	278.17	1.56	-49.12
O=C(CSC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004599513	0	24	-1.0	-43.82	237.07	5.02	-38.80
O=C(CSC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004599513	1	24	-1.0	-43.91	236.97	5.02	-38.89
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004599514	0	29	-1.0	-44.81	274.69	2.96	-41.85
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004599514	1	29	-1.0	-44.89	274.59	2.97	-41.92
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599515	0	31	-1.0	-46.80	282.09	1.85	-44.95
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599515	1	31	-1.0	-46.70	282.19	1.83	-44.87
CCOC1=CC=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004599516	0	31	-1.0	-52.22	272.17	5.00	-47.22
CCOC1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004599516	1	31	-1.0	-52.27	272.07	5.01	-47.26
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004599517	0	27	-1.0	-46.15	256.51	5.43	-40.72
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004599517	1	27	-1.0	-46.23	256.42	5.44	-40.79
COC1=CC=CC2=C1OC(=O)C(C(=O)NC1=NN=N[N-]1)=C2	REAL250004599518	0	29	-1.0	-53.96	263.51	4.95	-49.01
COC1=CC=CC2=C1OC(=O)C(C(=O)NC1=N[N-]N=N1)=C2	REAL250004599518	1	29	-1.0	-53.86	263.61	4.95	-48.91
CNS(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599519	0	28	-1.0	-51.81	263.99	-0.04	-51.85
CNS(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599519	1	28	-1.0	-51.76	264.09	-0.05	-51.81
NC(=O)NC(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004599520	0	32	-1.0	-53.67	276.16	1.77	-51.90
NC(=O)NC(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004599520	1	32	-1.0	-53.75	276.06	1.78	-51.97
O=C(COC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004599521	0	24	-1.0	-47.85	237.79	4.84	-43.01
O=C(COC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004599521	1	24	-1.0	-47.91	237.70	4.85	-43.06
C=CCC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004599522	0	35	-1.0	-51.49	306.01	6.07	-45.42
C=CCC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004599522	1	35	-1.0	-51.57	305.91	6.08	-45.49
CC(C(=O)NC1=N[N-]N=N1)N1C(=O)C2CCCCC2C1=O	REAL250004599523	0	36	-1.0	-49.71	293.93	4.09	-45.62
CC(C(=O)NC1=NN=N[N-]1)N1C(=O)C2CCCCC2C1=O	REAL250004599523	1	36	-1.0	-49.75	293.83	4.11	-45.64
O=C(CSC1=NC2=CC=CC=C2S1)NC1=NN=N[N-]1	REAL250004599524	0	26	-1.0	-44.53	265.76	4.63	-39.90
O=C(CSC1=NC2=CC=CC=C2S1)NC1=N[N-]N=N1	REAL250004599524	1	26	-1.0	-44.46	265.86	4.63	-39.83
CC1=C(C(C)C)C=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004599525	0	38	-1.0	-49.18	317.58	7.28	-41.90
CC1=C(C(C)C)C=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004599525	1	38	-1.0	-49.20	317.49	7.31	-41.89
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004599526	0	29	-1.0	-48.76	261.34	5.53	-43.23
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004599526	1	29	-1.0	-48.63	261.44	5.51	-43.12
CCC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004599527	0	32	-1.0	-48.51	282.92	6.27	-42.24
CCC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004599527	1	32	-1.0	-48.55	282.83	6.29	-42.26
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=NN=N[N-]1	REAL250004599528	0	32	-1.0	-51.00	281.35	6.94	-44.06
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=N[N-]N=N1	REAL250004599528	1	32	-1.0	-50.96	281.44	6.93	-44.03
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=N[N-]N=N1	REAL250004599529	0	33	-1.0	-49.60	285.61	6.74	-42.86
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=NN=N[N-]1	REAL250004599529	1	33	-1.0	-49.68	285.52	6.76	-42.92
CC(=O)C1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004599530	0	29	-1.0	-56.59	261.56	4.71	-51.88
CC(=O)C1=CC=CC(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004599530	1	29	-1.0	-56.62	261.46	4.72	-51.90
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NC1=N[N-]N=N1	REAL250004599531	0	26	-1.0	-48.18	249.26	4.99	-43.19
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NC1=NN=N[N-]1	REAL250004599531	1	26	-1.0	-48.23	249.17	5.00	-43.23
CC(NC(=O)NC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004599532	0	32	-1.0	-43.69	280.80	2.38	-41.31
CC(NC(=O)NC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004599532	1	32	-1.0	-43.79	280.70	2.40	-41.39
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1C	REAL250004599533	0	32	-1.0	-49.30	278.39	6.04	-43.26
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1C	REAL250004599533	1	32	-1.0	-49.35	278.29	6.05	-43.30
O=C(C=CC1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL250004599534	0	30	-1.0	-47.63	266.51	4.14	-43.49
O=C(C=CC1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL250004599534	1	30	-1.0	-47.67	266.41	4.13	-43.54
CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004599535	0	35	-1.0	-47.43	302.51	5.12	-42.31
CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004599535	1	35	-1.0	-47.50	302.41	5.12	-42.38
CCOC1=C(Cl)C=C(C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004599536	0	31	-1.0	-41.23	287.86	4.62	-36.61
CCOC1=C(Cl)C=C(C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004599536	1	31	-1.0	-41.14	287.96	4.61	-36.53
CSC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004599537	0	26	-1.0	-48.68	250.92	5.33	-43.35
CSC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004599537	1	26	-1.0	-48.60	251.07	5.33	-43.27
CC1=CN2C(=O)C(C(=O)NC3=NN=N[N-]3)=CN=C2C=C1	REAL250004599538	0	28	-1.0	-57.76	251.23	4.59	-53.17
CC1=CN2C(=O)C(C(=O)NC3=N[N-]N=N3)=CN=C2C=C1	REAL250004599538	1	28	-1.0	-57.65	251.33	4.60	-53.05
CC1=CC=C(C(=O)NCC(=O)NC2=N[N-]N=N2)S1	REAL250004599539	0	27	-1.0	-42.79	260.44	2.09	-40.70
CC1=CC=C(C(=O)NCC(=O)NC2=NN=N[N-]2)S1	REAL250004599539	1	27	-1.0	-42.85	260.34	2.10	-40.75
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL250004599540	0	27	-1.0	-47.27	259.58	5.70	-41.57
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2F)O1	REAL250004599540	1	27	-1.0	-47.14	259.68	5.69	-41.45
O=C(NC1=NN=N[N-]1)C1=CN=CN1C1=CC=CC=C1	REAL250004599541	0	27	-1.0	-45.36	245.62	6.25	-39.11
O=C(NC1=N[N-]N=N1)C1=CN=CN1C1=CC=CC=C1	REAL250004599541	1	27	-1.0	-45.29	245.73	6.24	-39.05
CC1(C)NC(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004599542	0	28	-1.0	-51.45	254.46	0.37	-51.08
CC1(C)NC(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004599542	1	28	-1.0	-51.55	254.37	0.39	-51.16
COC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599543	0	34	-1.0	-48.70	293.01	4.15	-44.55
COC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599543	1	34	-1.0	-48.81	292.92	4.17	-44.64
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599544	0	33	-1.0	-47.89	284.92	5.54	-42.35
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599544	1	33	-1.0	-47.94	284.83	5.56	-42.38
CC1=CC=CC(OCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004599545	0	33	-1.0	-48.14	284.92	5.55	-42.59
CC1=CC=CC(OCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004599545	1	33	-1.0	-48.19	284.83	5.56	-42.63
CC(NC(=O)C1=CC=CO1)C(=O)NC1=N[N-]N=N1	REAL250004599546	0	27	-1.0	-44.01	250.28	1.14	-42.87
CC(NC(=O)C1=CC=CO1)C(=O)NC1=NN=N[N-]1	REAL250004599546	1	27	-1.0	-44.07	250.18	1.16	-42.91
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(=O)CC1	REAL250004599547	0	31	-1.0	-42.02	276.82	4.46	-37.56
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(=O)CC1	REAL250004599547	1	31	-1.0	-42.11	276.71	4.47	-37.64
O=C(COC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004599548	0	24	-1.0	-47.76	242.36	4.94	-42.82
O=C(COC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004599548	1	24	-1.0	-47.86	242.27	4.95	-42.91
O=C(CC12CC3CC(CC(C3)C1)C2)NC1=N[N-]N=N1	REAL250004599549	0	37	-1.0	-44.56	267.08	6.38	-38.18
O=C(CC12CC3CC(CC(C3)C1)C2)NC1=NN=N[N-]1	REAL250004599549	1	37	-1.0	-44.63	266.99	6.39	-38.24
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1=N[N-]N=N1	REAL250004599550	0	32	-1.0	-50.50	273.05	3.99	-46.51
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1=NN=N[N-]1	REAL250004599550	1	32	-1.0	-50.59	272.95	4.00	-46.59
O=C(CC1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL250004599551	0	29	-1.0	-48.77	256.65	3.64	-45.13
O=C(CC1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL250004599551	1	29	-1.0	-48.83	256.56	3.65	-45.18
CC1=CC(C)=C(OCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004599552	0	33	-1.0	-46.40	284.27	6.44	-39.96
CC1=CC(C)=C(OCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004599552	1	33	-1.0	-46.50	284.18	6.45	-40.05
COC1=CC=CC=C1C(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004599553	0	31	-1.0	-46.15	273.82	2.86	-43.29
COC1=CC=CC=C1C(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004599553	1	31	-1.0	-46.23	273.72	2.87	-43.36
O=C(CNS(=O)(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004599554	0	28	-1.0	-48.61	266.24	0.19	-48.42
O=C(CNS(=O)(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004599554	1	28	-1.0	-48.69	266.15	0.20	-48.49
O=C(CC1=CC=CC=C1)NCC(=O)NC1=N[N-]N=N1	REAL250004599555	0	30	-1.0	-43.21	271.11	2.98	-40.23
O=C(CC1=CC=CC=C1)NCC(=O)NC1=NN=N[N-]1	REAL250004599555	1	30	-1.0	-43.30	271.01	2.99	-40.31
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599556	0	30	-1.0	-52.45	285.34	3.43	-49.02
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599556	1	30	-1.0	-52.46	285.25	3.45	-49.01
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL250004599557	0	35	-1.0	-47.19	295.63	4.42	-42.77
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2CCCO2)C=C1	REAL250004599557	1	35	-1.0	-47.13	295.73	4.42	-42.71
COC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599558	0	30	-1.0	-46.84	276.78	5.66	-41.18
COC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599558	1	30	-1.0	-46.91	276.68	5.67	-41.24
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004599559	0	36	-1.0	-47.26	298.69	6.78	-40.48
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004599559	1	36	-1.0	-47.37	298.60	6.79	-40.58
O=C(COC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004599560	0	30	-1.0	-49.81	266.10	6.62	-43.19
O=C(COC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004599560	1	30	-1.0	-49.88	266.01	6.63	-43.25
CS(=O)(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599561	0	28	-1.0	-47.98	264.68	0.45	-47.53
CS(=O)(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599561	1	28	-1.0	-47.91	264.78	0.42	-47.49
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004599562	0	30	-1.0	-49.87	278.38	4.06	-45.81
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004599562	1	30	-1.0	-49.94	278.28	4.07	-45.87
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CSC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599590	0	24	-1.0	-45.60	240.09	5.35	-40.25
CSC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599590	1	24	-1.0	-45.49	240.18	5.33	-40.16
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COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004599593	0	28	-1.0	-43.07	270.33	5.13	-37.94
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004599593	1	28	-1.0	-43.02	270.43	5.12	-37.90
CC1=CC(Cl)=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004599594	0	27	-1.0	-45.88	257.86	5.54	-40.34
CC1=CC(Cl)=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004599594	1	27	-1.0	-45.94	257.77	5.55	-40.39
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004599595	0	32	-1.0	-49.31	279.13	3.65	-45.66
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004599595	1	32	-1.0	-49.37	279.03	3.65	-45.72
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O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004599598	0	33	-1.0	-46.76	286.36	7.88	-38.88
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004599598	1	33	-1.0	-46.88	286.27	7.90	-38.98
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=NNC(=O)C=C1	REAL250004599599	0	29	-1.0	-45.69	264.15	2.16	-43.53
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=NNC(=O)C=C1	REAL250004599599	1	29	-1.0	-45.59	264.25	2.14	-43.45
O=C(CSC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004599600	0	30	-1.0	-46.35	276.75	7.22	-39.13
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CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004599602	0	33	-1.0	-47.38	286.56	6.00	-41.38
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004599602	1	33	-1.0	-47.32	286.65	5.99	-41.33
CCOC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599603	0	37	-1.0	-48.43	314.86	5.08	-43.35
CCOC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599603	1	37	-1.0	-48.54	314.77	5.09	-43.45
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CCCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599605	0	36	-1.0	-44.06	303.16	6.41	-37.65
CCCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599605	1	36	-1.0	-43.93	303.26	6.41	-37.52
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O=C(CC1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004599607	1	23	-1.0	-45.25	231.42	4.93	-40.32
O=C(NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL250004599608	0	20	-1.0	-46.18	215.11	4.77	-41.41
O=C(NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1Cl	REAL250004599608	1	20	-1.0	-46.10	215.21	4.76	-41.34
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL250004599609	0	20	-1.0	-43.18	216.66	4.83	-38.35
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL250004599609	1	20	-1.0	-43.10	216.76	4.82	-38.28
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL250004599610	0	20	-1.0	-40.26	220.87	4.82	-35.44
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O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004599611	0	23	-1.0	-44.31	244.07	5.44	-38.87
O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004599611	1	23	-1.0	-44.36	243.97	5.46	-38.90
CCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599612	0	34	-1.0	-46.63	282.31	6.11	-40.52
CCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599612	1	34	-1.0	-46.56	282.42	6.11	-40.45
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O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL250004599614	1	33	-1.0	-46.77	282.70	7.72	-39.05
O=C(COC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599615	0	24	-1.0	-45.92	237.79	4.84	-41.08
O=C(COC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599615	1	24	-1.0	-45.99	237.70	4.85	-41.14
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599616	0	28	-1.0	-42.18	270.49	5.62	-36.56
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599616	1	28	-1.0	-42.19	270.39	5.64	-36.55
CN1N=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004599617	0	28	-1.0	-41.77	252.17	3.25	-38.52
CN1N=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004599617	1	28	-1.0	-41.67	252.27	3.25	-38.42
O=C(COC1=CC=CC=C1)NCC(=O)NC1=N[N-]N=N1	REAL250004599618	0	31	-1.0	-44.94	280.03	2.87	-42.07
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CCOC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599773	0	31	-1.0	-48.84	276.46	2.96	-45.88
CCOC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599773	1	31	-1.0	-48.95	276.36	2.96	-45.99
CCS(=O)(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004599774	0	34	-1.0	-47.59	289.61	1.35	-46.24
CCS(=O)(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004599774	1	34	-1.0	-47.67	289.52	1.37	-46.30
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CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004599776	0	30	-1.0	-45.82	267.74	5.11	-40.71
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004599776	1	30	-1.0	-45.73	267.84	5.09	-40.64
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CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004599778	0	36	-1.0	-45.40	312.70	6.25	-39.15
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004599778	1	36	-1.0	-45.46	312.59	6.27	-39.19
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004599779	0	33	-1.0	-45.74	290.19	5.88	-39.86
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004599779	1	33	-1.0	-45.73	290.29	5.86	-39.87
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CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N=C1C	REAL250004599783	0	30	-1.0	-48.51	262.21	3.36	-45.15
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N=C1C	REAL250004599783	1	30	-1.0	-48.45	262.31	3.35	-45.10
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CC1=NN(CC(C)C)C(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004599787	0	32	-1.0	-42.63	288.87	4.42	-38.21
CC1=NN(CC(C)C)C(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004599787	1	32	-1.0	-42.66	288.77	4.45	-38.21
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004599788	0	29	-1.0	-43.66	267.30	5.47	-38.19
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004599788	1	29	-1.0	-43.61	267.39	5.46	-38.15
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CC1CC1C1=CC=C(CCC(=O)NC2=NN=N[N-]2)O1	REAL250004599830	1	33	-1.0	-44.16	289.02	6.50	-37.66
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CC1=CC=C(NC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599904	0	35	-1.0	-47.66	299.55	7.16	-40.50
CC1=CC=C(NC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599904	1	35	-1.0	-47.59	299.65	7.16	-40.43
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CN1C=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004599908	0	21	-1.0	-42.20	214.28	3.86	-38.34
CN1C=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004599908	1	21	-1.0	-42.15	214.38	3.85	-38.30
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL250004599909	0	32	-1.0	-44.75	273.89	3.72	-41.03
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL250004599909	1	32	-1.0	-44.66	273.99	3.71	-40.95
CCOC1=CC=CC=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004599910	0	31	-1.0	-48.90	272.25	5.27	-43.63
CCOC1=CC=CC=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004599910	1	31	-1.0	-48.97	272.15	5.27	-43.70
CC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004599911	0	27	-1.0	-44.90	257.45	6.09	-38.81
CC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004599911	1	27	-1.0	-44.99	257.35	6.08	-38.91
COC1=CC=C(SCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599912	0	31	-1.0	-43.85	281.81	5.03	-38.82
COC1=CC=C(SCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599912	1	31	-1.0	-43.92	281.72	5.05	-38.87
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CC1=CC=CC2=C1N=CN(CCC(=O)NC1=NN=N[N-]1)C2=O	REAL250004599917	0	34	-1.0	-49.95	298.90	6.28	-43.67
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=N[N-]N=N1)C2=O	REAL250004599917	1	34	-1.0	-49.84	298.99	6.27	-43.57
CC1=C(C(=O)NC2=NN=N[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL250004599918	0	34	-1.0	-43.75	290.73	5.18	-38.57
CC1=C(C(=O)NC2=N[N-]N=N2)C=C2C=NN(C(C)C)C2=N1	REAL250004599918	1	34	-1.0	-43.66	290.83	5.17	-38.49
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CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004599920	0	26	-1.0	-49.64	249.29	-1.88	-51.52
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004599920	1	26	-1.0	-49.59	249.39	-1.88	-51.47
CSC1=CC=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599921	0	26	-1.0	-55.38	254.29	6.12	-49.26
CSC1=CC=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599921	1	26	-1.0	-55.27	254.39	6.11	-49.16
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COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004599923	0	28	-1.0	-45.63	267.46	4.85	-40.78
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004599923	1	28	-1.0	-45.68	267.36	4.85	-40.83
CC(C)(C)C(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004599924	0	36	-1.0	-58.04	280.70	4.88	-53.16
CC(C)(C)C(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004599924	1	36	-1.0	-58.10	280.61	4.89	-53.21
COC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004599925	0	32	-1.0	-44.05	274.34	4.15	-39.90
COC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004599925	1	32	-1.0	-43.98	274.43	4.14	-39.84
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004599926	0	28	-1.0	-45.19	268.80	-0.10	-45.29
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004599926	1	28	-1.0	-45.10	268.90	-0.12	-45.22
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O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL250004599931	1	27	-1.0	-46.28	258.33	4.51	-41.77
COC1=CC=C2OCC(C(=O)NC3=N[N-]N=N3)CC2=C1	REAL250004599932	0	32	-1.0	-43.32	271.66	3.59	-39.73
COC1=CC=C2OCC(C(=O)NC3=NN=N[N-]3)CC2=C1	REAL250004599932	1	32	-1.0	-43.43	271.57	3.61	-39.82
O=C(CNS(=O)(=O)C1=CC=CS1)NC1=N[N-]N=N1	REAL250004599933	0	25	-1.0	-47.52	258.17	-0.80	-48.32
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CC1=CC(C)=NC2=NC(C(=O)NC3=NN=N[N-]3)=NN21	REAL250004599934	0	27	-1.0	-53.89	251.25	5.13	-48.76
CC1=CC(C)=NC2=NC(C(=O)NC3=N[N-]N=N3)=NN21	REAL250004599934	1	27	-1.0	-53.86	251.35	5.12	-48.74
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004599935	0	30	-1.0	-45.59	264.96	5.41	-40.18
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004599935	1	30	-1.0	-45.54	265.06	5.41	-40.13
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CC1=C(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N1	REAL250004599937	0	30	-1.0	-49.10	260.08	5.02	-44.08
CC1=C(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N1	REAL250004599937	1	30	-1.0	-49.01	260.18	5.01	-44.00
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O=C(NC1=N[N-]N=N1)C1=CC=CC=C1COC1=CC=CC=C1	REAL250004599940	1	34	-1.0	-47.15	291.59	7.19	-39.96
O=C(NC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL250004599941	0	32	-1.0	-40.56	290.54	4.81	-35.75
O=C(NC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL250004599941	1	32	-1.0	-40.61	290.44	4.81	-35.80
N#CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599942	0	29	-1.0	-51.19	272.67	5.00	-46.19
N#CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599942	1	29	-1.0	-51.28	272.56	5.00	-46.28
CCN1C(=O)N(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004599943	0	33	-1.0	-54.35	293.54	6.16	-48.19
CCN1C(=O)N(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004599943	1	33	-1.0	-54.37	293.45	6.17	-48.20
CC1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004599944	0	30	-1.0	-43.49	263.33	5.04	-38.45
CC1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004599944	1	30	-1.0	-43.41	263.44	5.02	-38.39
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599945	0	29	-1.0	-50.46	276.16	-0.06	-50.52
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599945	1	29	-1.0	-50.55	276.06	-0.05	-50.60
CC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004599946	0	29	-1.0	-43.41	269.01	6.38	-37.03
CC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004599946	1	29	-1.0	-43.49	268.91	6.40	-37.09
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(S(N)(=O)=O)=C1C	REAL250004599947	0	31	-1.0	-53.18	274.28	0.02	-53.16
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(S(N)(=O)=O)=C1C	REAL250004599947	1	31	-1.0	-53.10	274.38	0.00	-53.10
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004599948	0	31	-1.0	-46.05	284.53	0.84	-45.21
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004599948	1	31	-1.0	-46.12	284.44	0.86	-45.26
CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004599949	0	31	-1.0	-45.87	267.88	3.94	-41.93
CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004599949	1	31	-1.0	-45.82	267.97	3.93	-41.89
CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OCC	REAL250004599950	0	37	-1.0	-45.44	311.23	5.66	-39.78
CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OCC	REAL250004599950	1	37	-1.0	-45.42	311.33	5.65	-39.77
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004599951	0	27	-1.0	-45.66	261.07	5.99	-39.67
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004599951	1	27	-1.0	-45.75	260.97	6.00	-39.75
O=C(CCCSC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004599952	0	30	-1.0	-46.16	290.56	7.02	-39.14
O=C(CCCSC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004599952	1	30	-1.0	-46.22	290.47	7.04	-39.18
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL250004599953	0	31	-1.0	-53.06	281.00	5.11	-47.95
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL250004599953	1	31	-1.0	-53.16	280.91	5.13	-48.03
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC1=NN=N[N-]1	REAL250004599954	0	29	-1.0	-54.92	266.84	5.10	-49.82
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC1=N[N-]N=N1	REAL250004599954	1	29	-1.0	-54.88	266.93	5.09	-49.79
N#CC1=CC=C(N2CCC(C(=O)NC3=NN=N[N-]3)CC2)N=C1	REAL250004599955	0	35	-1.0	-46.42	300.11	4.76	-41.66
N#CC1=CC=C(N2CCC(C(=O)NC3=N[N-]N=N3)CC2)N=C1	REAL250004599955	1	35	-1.0	-46.36	300.21	4.75	-41.61
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1N1C=CC=C1	REAL250004599956	0	31	-1.0	-46.58	268.09	7.22	-39.36
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1N1C=CC=C1	REAL250004599956	1	31	-1.0	-46.54	268.19	7.20	-39.34
O=C(CNC(=O)NC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004599957	0	29	-1.0	-43.63	261.24	1.53	-42.10
O=C(CNC(=O)NC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004599957	1	29	-1.0	-43.67	261.14	1.54	-42.13
O=C(C=CC1=CC2=CC=CC=C2O1)NC1=NN=N[N-]1	REAL250004599958	0	27	-1.0	-45.42	252.14	5.59	-39.83
O=C(C=CC1=CC2=CC=CC=C2O1)NC1=N[N-]N=N1	REAL250004599958	1	27	-1.0	-45.32	252.24	5.58	-39.74
O=C(C=CC1=CC=C2OCCC2=C1)NC1=N[N-]N=N1	REAL250004599959	0	29	-1.0	-46.10	257.92	4.84	-41.26
O=C(C=CC1=CC=C2OCCC2=C1)NC1=NN=N[N-]1	REAL250004599959	1	29	-1.0	-46.16	257.82	4.84	-41.32
CC1OC2=CC=CC=C2N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004599960	0	32	-1.0	-48.55	279.20	3.88	-44.67
CC1OC2=CC=CC=C2N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004599960	1	32	-1.0	-48.59	279.11	3.89	-44.70
CC(NC(=O)C1=CC=CS1)C(=O)NC1=N[N-]N=N1	REAL250004599961	0	27	-1.0	-42.51	258.18	2.14	-40.37
CC(NC(=O)C1=CC=CS1)C(=O)NC1=NN=N[N-]1	REAL250004599961	1	27	-1.0	-42.59	258.08	2.16	-40.43
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599962	0	31	-1.0	-48.76	277.18	1.55	-47.21
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599962	1	31	-1.0	-48.67	277.28	1.54	-47.13
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CC1=NN(C)C(Cl)=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004599964	0	27	-1.0	-44.51	263.65	3.80	-40.71
CC1=NN(C)C(Cl)=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004599964	1	27	-1.0	-44.61	263.55	3.80	-40.81
CC1=CC=C(C2=CN=C(CCC(=O)NC3=N[N-]N=N3)O2)C=C1	REAL250004599965	0	35	-1.0	-45.64	310.13	4.43	-41.21
CC1=CC=C(C2=CN=C(CCC(=O)NC3=NN=N[N-]3)O2)C=C1	REAL250004599965	1	35	-1.0	-45.71	310.04	4.45	-41.26
CC1=NN(C)C2=C1C=C(C(=O)NC1=NN=N[N-]1)S2	REAL250004599966	0	26	-1.0	-44.06	251.04	3.49	-40.57
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CS(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599968	0	25	-1.0	-52.87	239.60	2.41	-50.46
CS(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599968	1	25	-1.0	-52.81	239.70	2.39	-50.42
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CC(C)N1N=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004599971	0	31	-1.0	-43.96	274.47	4.52	-39.44
CC(C)N1N=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004599971	1	31	-1.0	-43.88	274.57	4.51	-39.37
O=C(NC1=NN=N[N-]1)C1=C(COC2=CC=CC=C2)C=CO1	REAL250004599972	0	31	-1.0	-45.09	280.08	5.16	-39.93
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CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004599973	0	33	-1.0	-39.03	278.16	2.62	-36.41
CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004599973	1	33	-1.0	-38.97	278.25	2.62	-36.35
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004599974	0	31	-1.0	-39.18	267.77	2.83	-36.35
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004599974	1	31	-1.0	-39.06	267.87	2.83	-36.23
COC1=CC=C(C2=NNC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004599975	0	31	-1.0	-48.44	272.74	3.13	-45.31
COC1=CC=C(C2=NNC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004599975	1	31	-1.0	-48.39	272.84	3.11	-45.28
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=C(F)C=C1	REAL250004599976	0	27	-1.0	-47.12	249.70	3.89	-43.23
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=C(F)C=C1	REAL250004599976	1	27	-1.0	-47.04	249.80	3.88	-43.16
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL250004599977	0	27	-1.0	-46.86	260.02	4.35	-42.51
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL250004599977	1	27	-1.0	-46.78	260.12	4.33	-42.45
CSC1=NC(C)=C(CCC(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004599978	0	32	-1.0	-50.53	292.22	3.00	-47.53
CSC1=NC(C)=C(CCC(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004599978	1	32	-1.0	-50.55	292.12	3.02	-47.53
O=C(NC1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL250004599979	0	28	-1.0	-50.87	265.76	3.38	-47.49
O=C(NC1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)S1	REAL250004599979	1	28	-1.0	-50.33	266.68	3.41	-46.92
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL250004599980	0	31	-1.0	-45.16	266.80	4.74	-40.42
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL250004599980	1	31	-1.0	-45.18	266.70	4.75	-40.43
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL250004599981	0	26	-1.0	-42.53	261.43	4.03	-38.50
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL250004599981	1	26	-1.0	-42.47	261.53	4.01	-38.46
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599982	0	31	-1.0	-47.85	280.06	0.65	-47.20
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599982	1	31	-1.0	-47.77	280.16	0.64	-47.13
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004599983	0	28	-1.0	-43.12	251.36	4.93	-38.19
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004599983	1	28	-1.0	-43.05	251.46	4.91	-38.14
COC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2C=C1	REAL250004599984	0	29	-1.0	-45.93	260.21	3.55	-42.38
COC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2C=C1	REAL250004599984	1	29	-1.0	-45.86	260.31	3.55	-42.31
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004599985	0	26	-1.0	-42.05	245.06	3.78	-38.27
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004599985	1	26	-1.0	-41.98	245.16	3.76	-38.22
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C=NN(C(C)C)C2=N1	REAL250004599986	0	34	-1.0	-45.02	293.67	5.06	-39.96
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C=NN(C(C)C)C2=N1	REAL250004599986	1	34	-1.0	-44.94	293.77	5.06	-39.88
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC=C1	REAL250004599987	0	27	-1.0	-48.77	243.33	3.82	-44.95
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC=C1	REAL250004599987	1	27	-1.0	-48.67	243.42	3.81	-44.86
CC1=CC=CC(OCCC(=O)NC2=N[N-]N=N2)=C1C	REAL250004599988	0	33	-1.0	-44.11	279.09	5.39	-38.72
CC1=CC=CC(OCCC(=O)NC2=NN=N[N-]2)=C1C	REAL250004599988	1	33	-1.0	-44.18	279.00	5.41	-38.77
CS(=O)(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004599989	0	31	-1.0	-48.20	268.13	0.47	-47.73
CS(=O)(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004599989	1	31	-1.0	-48.32	268.04	0.49	-47.83
CC1=C(C=C(C#N)C(=O)NC2=N[N-]N=N2)C=C(C#N)N1C	REAL250004599990	0	30	-1.0	-48.41	283.86	5.49	-42.92
CC1=C(C=C(C#N)C(=O)NC2=NN=N[N-]2)C=C(C#N)N1C	REAL250004599990	1	30	-1.0	-48.49	283.76	5.49	-43.00
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=NN=N[N-]1	REAL250004599991	0	29	-1.0	-53.74	262.75	5.52	-48.22
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=N[N-]N=N1	REAL250004599991	1	29	-1.0	-53.73	262.85	5.52	-48.21
CC(=O)NC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004599992	0	31	-1.0	-52.03	278.02	3.89	-48.14
CC(=O)NC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004599992	1	31	-1.0	-52.09	277.92	3.89	-48.20
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2=CC(F)=CC=C21	REAL250004599993	0	28	-1.0	-49.92	254.24	2.86	-47.06
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL250004599993	1	28	-1.0	-50.02	254.14	2.88	-47.14
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004599994	0	33	-1.0	-54.55	293.24	3.60	-50.95
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004599994	1	33	-1.0	-54.62	293.15	3.61	-51.01
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)NC1=O	REAL250004599995	0	23	-1.0	-49.42	228.82	1.92	-47.50
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)NC1=O	REAL250004599995	1	23	-1.0	-49.48	228.72	1.92	-47.56
O=C(CCC1CC2=CC=CC=C2NC1=O)NC1=N[N-]N=N1	REAL250004599996	0	34	-1.0	-46.37	289.18	4.16	-42.21
O=C(CCC1CC2=CC=CC=C2NC1=O)NC1=NN=N[N-]1	REAL250004599996	1	34	-1.0	-46.41	289.09	4.18	-42.23
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004599997	0	30	-1.0	-44.82	254.18	5.22	-39.60
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004599997	1	30	-1.0	-44.87	254.09	5.24	-39.63
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL250004599998	0	29	-1.0	-42.38	267.44	4.34	-38.04
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL250004599998	1	29	-1.0	-42.29	267.54	4.34	-37.95
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1OCC(F)(F)F	REAL250004599999	0	26	-1.0	-51.80	253.86	3.10	-48.70
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1OCC(F)(F)F	REAL250004599999	1	26	-1.0	-51.77	253.96	3.10	-48.67
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1OC(F)F	REAL250004600000	0	28	-1.0	-50.59	253.82	4.36	-46.23
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1OC(F)F	REAL250004600000	1	28	-1.0	-50.51	253.95	4.35	-46.16
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL250004600001	0	24	-1.0	-48.26	224.49	4.57	-43.69
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL250004600001	1	24	-1.0	-48.18	224.59	4.57	-43.61
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600002	0	26	-1.0	-50.78	235.41	2.33	-48.45
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600002	1	26	-1.0	-50.65	235.51	2.32	-48.33
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1SC(F)F	REAL250004600003	0	24	-1.0	-45.94	232.73	5.05	-40.89
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1SC(F)F	REAL250004600003	1	24	-1.0	-45.85	232.83	5.04	-40.81
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL250004600004	0	31	-1.0	-49.68	279.19	6.75	-42.93
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL250004600004	1	31	-1.0	-49.57	279.31	6.77	-42.80
O=C(NC1=NN=N[N-]1)C1=C(N2C=CC=C2)C=CS1	REAL250004600005	0	25	-1.0	-48.27	238.24	5.78	-42.49
O=C(NC1=N[N-]N=N1)C1=C(N2C=CC=C2)C=CS1	REAL250004600005	1	25	-1.0	-48.15	238.35	5.77	-42.38
CC1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004600006	0	30	-1.0	-48.67	263.41	5.03	-43.64
CC1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004600006	1	30	-1.0	-48.60	263.51	5.01	-43.59
CC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NN2)C=C1	REAL250004600007	0	30	-1.0	-45.48	269.95	4.47	-41.01
CC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NN2)C=C1	REAL250004600007	1	30	-1.0	-45.43	270.05	4.46	-40.97
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL250004600008	0	27	-1.0	-44.74	265.28	4.32	-40.42
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL250004600008	1	27	-1.0	-44.68	265.38	4.31	-40.37
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL250004600009	0	26	-1.0	-42.26	262.77	5.33	-36.93
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL250004600009	1	26	-1.0	-42.22	262.87	5.32	-36.90
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL250004600010	0	26	-1.0	-44.10	254.13	4.96	-39.14
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2F)=C1	REAL250004600010	1	26	-1.0	-44.01	254.22	4.95	-39.06
CCOC(=O)NC(C(=O)NC1=N[N-]N=N1)C(C)C	REAL250004600011	0	33	-1.0	-40.46	274.97	1.69	-38.77
CCOC(=O)NC(C(=O)NC1=NN=N[N-]1)C(C)C	REAL250004600011	1	33	-1.0	-40.57	274.87	1.71	-38.86
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2=CC=CC=C21	REAL250004600012	0	28	-1.0	-50.73	247.73	2.81	-47.92
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2=CC=CC=C21	REAL250004600012	1	28	-1.0	-50.61	247.82	2.80	-47.81
CC1=NN(C)C2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004600013	0	28	-1.0	-43.82	253.85	3.54	-40.28
CC1=NN(C)C2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004600013	1	28	-1.0	-43.70	253.95	3.53	-40.17
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004600014	0	30	-1.0	-45.13	272.61	4.31	-40.82
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004600014	1	30	-1.0	-45.21	272.51	4.33	-40.88
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004600015	0	32	-1.0	-51.51	289.32	3.65	-47.86
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004600015	1	32	-1.0	-51.40	289.41	3.63	-47.77
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CCC(C)C1=CC=CC=C1OCC(=O)NC1=N[N-]N=N1	REAL250004600046	0	36	-1.0	-47.96	298.13	6.94	-41.02
CCC(C)C1=CC=CC=C1OCC(=O)NC1=NN=N[N-]1	REAL250004600046	1	36	-1.0	-47.96	298.03	6.95	-41.01
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CC(C)(C)C1=CC=C(SCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600048	0	36	-1.0	-44.38	306.82	7.27	-37.11
CC(C)(C)C1=CC=C(SCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600048	1	36	-1.0	-44.45	306.73	7.27	-37.18
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CC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)SC2=C1	REAL250004600049	1	28	-1.0	-44.25	256.56	5.99	-38.26
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COC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004600051	0	30	-1.0	-44.98	279.08	5.12	-39.86
COC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004600051	1	30	-1.0	-45.06	278.98	5.14	-39.92
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004600052	0	30	-1.0	-44.28	264.50	5.67	-38.61
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004600052	1	30	-1.0	-44.29	264.41	5.69	-38.60
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CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC1=N[N-]N=N1	REAL250004600057	0	34	-1.0	-58.91	281.08	6.09	-52.82
CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC1=NN=N[N-]1	REAL250004600057	1	34	-1.0	-59.01	280.99	6.12	-52.89
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CC12CCC(=O)N1C(C(=O)NC1=N[N-]N=N1)CS2	REAL250004600060	0	29	-1.0	-52.28	260.73	3.30	-48.98
CC12CCC(=O)N1C(C(=O)NC1=NN=N[N-]1)CS2	REAL250004600060	1	29	-1.0	-52.35	260.64	3.31	-49.04
CC1(C(=O)NC2=N[N-]N=N2)CC2=CC=CC=C2C(=O)O1	REAL250004600061	0	30	-1.0	-43.99	262.24	5.22	-38.77
CC1(C(=O)NC2=NN=N[N-]2)CC2=CC=CC=C2C(=O)O1	REAL250004600061	1	30	-1.0	-44.04	262.15	5.23	-38.81
CS(=O)(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600062	0	28	-1.0	-63.88	252.22	0.27	-63.61
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CSC1=NC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600064	1	22	-1.0	-41.81	235.45	2.93	-38.88
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CC12CC3CC(C)(C1)CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004600065	1	40	-1.0	-44.61	292.58	6.70	-37.91
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CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCC2)=C1	REAL250004600068	1	33	-1.0	-44.03	275.50	6.80	-37.23
CC1=NOC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=N1	REAL250004600069	0	28	-1.0	-43.86	259.76	3.18	-40.68
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CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1N1C=CC=C1	REAL250004600071	1	28	-1.0	-46.17	249.72	5.08	-41.09
COC1=CC(OC)=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004600072	0	32	-1.0	-44.44	280.17	2.34	-42.10
COC1=CC(OC)=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004600072	1	32	-1.0	-44.40	280.27	2.32	-42.08
COC1=CC(C(=O)NC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL250004600073	0	30	-1.0	-51.58	272.70	4.33	-47.25
COC1=CC(C(=O)NC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL250004600073	1	30	-1.0	-51.53	272.78	4.32	-47.21
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=N[N-]N=N1	REAL250004600074	0	28	-1.0	-45.79	275.20	0.14	-45.65
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=NN=N[N-]1	REAL250004600074	1	28	-1.0	-45.84	275.11	0.15	-45.69
CN(C1=CC=CC=C1C(=O)NC1=NN=N[N-]1)S(C)(=O)=O	REAL250004600075	0	31	-1.0	-65.14	278.98	2.88	-62.26
CN(C1=CC=CC=C1C(=O)NC1=N[N-]N=N1)S(C)(=O)=O	REAL250004600075	1	31	-1.0	-65.04	279.08	2.87	-62.17
CC(C)N1C=NN=C1SCC(=O)NC1=NN=N[N-]1	REAL250004600076	0	29	-1.0	-46.22	270.75	5.52	-40.70
CC(C)N1C=NN=C1SCC(=O)NC1=N[N-]N=N1	REAL250004600076	1	29	-1.0	-46.13	270.84	5.52	-40.61
O=C(CSC1=NN=NN1C1CCCC1)NC1=NN=N[N-]1	REAL250004600077	0	32	-1.0	-42.47	290.69	3.98	-38.49
O=C(CSC1=NN=NN1C1CCCC1)NC1=N[N-]N=N1	REAL250004600077	1	32	-1.0	-42.41	290.79	3.97	-38.44
O=C(CSC1=NN=NN1C1CC1)NC1=NN=N[N-]1	REAL250004600078	0	26	-1.0	-43.39	257.20	2.73	-40.66
O=C(CSC1=NN=NN1C1CC1)NC1=N[N-]N=N1	REAL250004600078	1	26	-1.0	-43.34	257.29	2.72	-40.62
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004600079	0	34	-1.0	-49.92	284.06	5.73	-44.19
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004600079	1	34	-1.0	-50.01	283.97	5.75	-44.26
CCC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N=C1CC	REAL250004600080	0	36	-1.0	-47.72	302.99	4.73	-42.99
CCC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N=C1CC	REAL250004600080	1	36	-1.0	-47.65	303.08	4.72	-42.93
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004600081	0	27	-1.0	-47.04	247.45	5.47	-41.57
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004600081	1	27	-1.0	-46.92	247.55	5.46	-41.46
CC1=C2C(=CC=C1)SC(C(=O)NC1=NN=N[N-]1)=C2Cl	REAL250004600082	0	26	-1.0	-45.26	253.71	6.16	-39.10
CC1=C2C(=CC=C1)SC(C(=O)NC1=N[N-]N=N1)=C2Cl	REAL250004600082	1	26	-1.0	-45.22	253.81	6.15	-39.07
CC1=CC=C(C)N1C1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004600083	0	31	-1.0	-48.48	273.86	6.61	-41.87
CC1=CC=C(C)N1C1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004600083	1	31	-1.0	-48.41	273.97	6.61	-41.80
CC1=CC=CC=C1OCCCC(=O)NC1=N[N-]N=N1	REAL250004600084	0	33	-1.0	-47.74	283.59	5.62	-42.12
CC1=CC=CC=C1OCCCC(=O)NC1=NN=N[N-]1	REAL250004600084	1	33	-1.0	-47.82	283.49	5.64	-42.18
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1C=CC=N1	REAL250004600085	0	26	-1.0	-53.92	240.57	4.60	-49.32
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1N1C=CC=N1	REAL250004600085	1	26	-1.0	-53.80	240.68	4.59	-49.21
CC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=NN=CN1	REAL250004600086	0	25	-1.0	-46.29	240.08	5.55	-40.74
CC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=NN=CN1	REAL250004600086	1	25	-1.0	-46.23	240.18	5.55	-40.68
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=NC=N2)N=C1	REAL250004600087	0	25	-1.0	-43.42	237.80	5.65	-37.77
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=NC=N2)N=C1	REAL250004600087	1	25	-1.0	-43.38	237.90	5.65	-37.73
O=C(CCCOC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004600088	0	30	-1.0	-47.37	269.93	4.93	-42.44
O=C(CCCOC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004600088	1	30	-1.0	-47.41	269.83	4.95	-42.46
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL250004600089	0	36	-1.0	-48.35	302.31	8.96	-39.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL250004600089	1	36	-1.0	-48.24	302.41	8.94	-39.30
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004600090	0	27	-1.0	-45.33	254.86	6.04	-39.29
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250004600090	1	27	-1.0	-45.40	254.77	6.05	-39.35
CC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004600091	0	31	-1.0	-45.32	266.53	5.44	-39.88
CC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004600091	1	31	-1.0	-45.24	266.63	5.44	-39.80
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1SC1=CC=CC=C1	REAL250004600092	0	30	-1.0	-48.91	280.70	6.37	-42.54
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SC1=CC=CC=C1	REAL250004600092	1	30	-1.0	-48.88	280.80	6.37	-42.51
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600093	0	32	-1.0	-42.07	281.12	5.01	-37.06
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600093	1	32	-1.0	-41.97	281.22	5.01	-36.96
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=NN=N1	REAL250004600094	0	25	-1.0	-59.80	233.41	4.61	-55.19
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=NN=N1	REAL250004600094	1	25	-1.0	-59.71	233.51	4.59	-55.12
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004600095	0	31	-1.0	-38.82	280.52	5.12	-33.70
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL250004600095	1	31	-1.0	-38.71	280.61	5.11	-33.60
CN1C(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1=O	REAL250004600096	0	27	-1.0	-45.67	253.06	3.08	-42.59
CN1C(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1=O	REAL250004600096	1	27	-1.0	-45.63	253.16	3.07	-42.56
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004600097	0	34	-1.0	-48.71	275.93	6.37	-42.34
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004600097	1	34	-1.0	-48.68	276.03	6.35	-42.33
CCOC1=CC=C(OC(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600098	0	37	-1.0	-46.04	298.97	5.37	-40.67
CCOC1=CC=C(OC(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600098	1	37	-1.0	-46.10	298.88	5.39	-40.71
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL250004600099	0	26	-1.0	-44.37	242.99	4.29	-40.08
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)N=C1	REAL250004600099	1	26	-1.0	-44.24	243.09	4.29	-39.95
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004600100	0	23	-1.0	-41.91	236.56	3.62	-38.29
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004600100	1	23	-1.0	-41.84	236.66	3.61	-38.23
CN1N=CC2=C1N=CN(CCC(=O)NC1=NN=N[N-]1)C2=O	REAL250004600101	0	31	-1.0	-51.73	281.97	4.17	-47.56
CN1N=CC2=C1N=CN(CCC(=O)NC1=N[N-]N=N1)C2=O	REAL250004600101	1	31	-1.0	-51.68	282.07	4.16	-47.52
CC1=NN2C(=C1)N=CC(C(=O)NC1=NN=N[N-]1)=C2C	REAL250004600102	0	28	-1.0	-41.79	247.63	3.94	-37.85
CC1=NN2C(=C1)N=CC(C(=O)NC1=N[N-]N=N1)=C2C	REAL250004600102	1	28	-1.0	-41.71	247.73	3.93	-37.78
O=C(CCCNC(=O)NC1CCCCC1)NC1=N[N-]N=N1	REAL250004600103	0	41	-1.0	-48.14	333.03	2.80	-45.34
O=C(CCCNC(=O)NC1CCCCC1)NC1=NN=N[N-]1	REAL250004600103	1	41	-1.0	-48.19	332.94	2.82	-45.37
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL250004600104	0	26	-1.0	-49.33	243.91	0.82	-48.51
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL250004600104	1	26	-1.0	-49.24	244.01	0.81	-48.43
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1F	REAL250004600105	0	20	-1.0	-40.88	210.80	4.07	-36.81
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1F	REAL250004600105	1	20	-1.0	-40.81	210.90	4.06	-36.75
CC1CCC2=C(C1)SC=C2C(=O)NC1=NN=N[N-]1	REAL250004600106	0	30	-1.0	-45.47	259.17	5.96	-39.51
CC1CCC2=C(C1)SC=C2C(=O)NC1=N[N-]N=N1	REAL250004600106	1	30	-1.0	-45.43	259.26	5.95	-39.48
CCCCC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600107	0	38	-1.0	-43.23	295.37	6.84	-36.39
CCCCC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600107	1	38	-1.0	-43.30	295.28	6.86	-36.44
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL250004600108	0	30	-1.0	-59.34	278.74	4.76	-54.58
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL250004600108	1	30	-1.0	-59.26	278.84	4.74	-54.52
O=C(NC1=N[N-]N=N1)C12CCC(=O)N1CCS2	REAL250004600109	0	26	-1.0	-46.40	239.15	2.37	-44.03
O=C(NC1=NN=N[N-]1)C12CCC(=O)N1CCS2	REAL250004600109	1	26	-1.0	-46.49	239.06	2.38	-44.11
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NC1=NN=N[N-]1	REAL250004600110	0	32	-1.0	-60.05	280.09	6.31	-53.74
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NC1=N[N-]N=N1	REAL250004600110	1	32	-1.0	-59.98	280.18	6.29	-53.69
O=C(CC1=CC=CC2=CC=CN=C21)NC1=NN=N[N-]1	REAL250004600111	0	28	-1.0	-50.68	252.07	5.01	-45.67
O=C(CC1=CC=CC2=CC=CN=C21)NC1=N[N-]N=N1	REAL250004600111	1	28	-1.0	-50.63	252.16	4.99	-45.64
O=C(COC1=CC=C2NC(=O)CCC2=C1)NC1=N[N-]N=N1	REAL250004600112	0	32	-1.0	-50.15	280.91	3.50	-46.65
O=C(COC1=CC=C2NC(=O)CCC2=C1)NC1=NN=N[N-]1	REAL250004600112	1	32	-1.0	-50.24	280.81	3.51	-46.73
CC1OC2=CC=CC=C2OC1C(=O)NC1=N[N-]N=N1	REAL250004600113	0	29	-1.0	-45.12	250.02	5.06	-40.06
CC1OC2=CC=CC=C2OC1C(=O)NC1=NN=N[N-]1	REAL250004600113	1	29	-1.0	-45.25	249.92	5.08	-40.17
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004600114	0	25	-1.0	-49.11	237.75	4.12	-44.99
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004600114	1	25	-1.0	-49.05	237.84	4.11	-44.94
CC(C)C1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004600115	0	33	-1.0	-42.80	281.20	5.67	-37.13
CC(C)C1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004600115	1	33	-1.0	-42.74	281.30	5.65	-37.09
CC(OC1=CC=CC(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004600116	0	27	-1.0	-45.24	244.12	5.00	-40.24
CC(OC1=CC=CC(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004600116	1	27	-1.0	-45.29	244.02	5.02	-40.27
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600117	0	25	-1.0	-40.42	238.53	3.69	-36.73
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600117	1	25	-1.0	-40.51	238.43	3.68	-36.83
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004600118	0	28	-1.0	-42.58	261.65	5.36	-37.22
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004600118	1	28	-1.0	-42.51	261.75	5.35	-37.16
CN(C)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600119	0	32	-1.0	-46.68	274.25	5.40	-41.28
CN(C)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600119	1	32	-1.0	-46.76	274.15	5.40	-41.36
O=C(NC1=NN=N[N-]1)C1=CC=CN1CC1=CC=CC=C1	REAL250004600120	0	31	-1.0	-45.13	270.44	6.89	-38.24
O=C(NC1=N[N-]N=N1)C1=CC=CN1CC1=CC=CC=C1	REAL250004600120	1	31	-1.0	-45.07	270.54	6.88	-38.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL250004600121	0	31	-1.0	-56.25	279.18	1.29	-54.96
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL250004600121	1	31	-1.0	-56.12	279.28	1.27	-54.85
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL250004600122	0	33	-1.0	-45.59	284.76	6.04	-39.55
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL250004600122	1	33	-1.0	-45.51	284.86	6.02	-39.49
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL250004600123	0	33	-1.0	-47.38	266.71	6.94	-40.44
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCC1	REAL250004600123	1	33	-1.0	-47.34	266.85	6.93	-40.41
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004600124	0	29	-1.0	-48.12	259.40	5.19	-42.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004600124	1	29	-1.0	-48.04	259.50	5.17	-42.87
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004600125	0	26	-1.0	-44.42	244.70	3.50	-40.92
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004600125	1	26	-1.0	-44.31	244.80	3.49	-40.82
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CCCC1	REAL250004600126	0	33	-1.0	-51.32	273.40	6.98	-44.34
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL250004600126	1	33	-1.0	-51.37	273.31	7.00	-44.37
CC(C)(C)OC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600127	0	37	-1.0	-54.64	301.40	4.15	-50.49
CC(C)(C)OC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004600127	1	37	-1.0	-54.70	301.31	4.17	-50.53
CCS(=O)(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600128	0	31	-1.0	-47.52	282.24	1.46	-46.06
CCS(=O)(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600128	1	31	-1.0	-47.44	282.33	1.44	-46.00
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004600129	0	33	-1.0	-45.24	286.37	6.09	-39.15
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004600129	1	33	-1.0	-45.23	286.47	6.08	-39.15
O=C(CSCC(=O)N1CCCCC1)NC1=N[N-]N=N1	REAL250004600130	0	34	-1.0	-55.30	293.81	4.44	-50.86
O=C(CSCC(=O)N1CCCCC1)NC1=NN=N[N-]1	REAL250004600130	1	34	-1.0	-55.42	293.71	4.44	-50.98
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1SC(F)(F)F	REAL250004600131	0	24	-1.0	-44.41	239.31	5.25	-39.16
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1SC(F)(F)F	REAL250004600131	1	24	-1.0	-44.34	239.41	5.24	-39.10
O=C(CCC1=NC(C2=CC=CO2)=NO1)NC1=NN=N[N-]1	REAL250004600132	0	28	-1.0	-46.74	265.83	1.95	-44.79
O=C(CCC1=NC(C2=CC=CO2)=NO1)NC1=N[N-]N=N1	REAL250004600132	1	28	-1.0	-46.67	265.92	1.93	-44.74
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NC1=N[N-]N=N1	REAL250004600133	0	28	-1.0	-51.68	263.83	3.48	-48.20
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NC1=NN=N[N-]1	REAL250004600133	1	28	-1.0	-51.72	263.74	3.49	-48.23
O=C(CSC1=CC=CC=[N+]1[O-])NC1=N[N-]N=N1	REAL250004600134	0	24	-1.0	-67.44	236.63	3.45	-63.99
O=C(CSC1=CC=CC=[N+]1[O-])NC1=NN=N[N-]1	REAL250004600134	1	24	-1.0	-67.59	236.54	3.45	-64.14
COCCN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600135	0	31	-1.0	-46.43	269.39	1.48	-44.95
COCCN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600135	1	31	-1.0	-46.50	269.30	1.50	-45.00
CC(C)C1CCC(C)CC1OCC(=O)NC1=N[N-]N=N1	REAL250004600136	0	42	-1.0	-47.54	322.22	6.89	-40.65
CC(C)C1CCC(C)CC1OCC(=O)NC1=NN=N[N-]1	REAL250004600136	1	42	-1.0	-47.59	322.12	6.90	-40.69
CC(C)C(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600137	0	36	-1.0	-48.57	287.40	4.10	-44.47
CC(C)C(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600137	1	36	-1.0	-48.67	287.31	4.12	-44.55
CC1=CC=CC(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=C1	REAL250004600138	0	33	-1.0	-47.46	283.56	8.06	-39.40
CC1=CC=CC(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=C1	REAL250004600138	1	33	-1.0	-47.40	283.64	8.04	-39.36
CC1=NN(CCC#N)C(C)=C1CCC(=O)NC1=N[N-]N=N1	REAL250004600139	0	36	-1.0	-48.67	317.07	5.37	-43.30
CC1=NN(CCC#N)C(C)=C1CCC(=O)NC1=NN=N[N-]1	REAL250004600139	1	36	-1.0	-48.70	316.98	5.39	-43.31
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600140	0	39	-1.0	-40.52	307.99	2.78	-37.74
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600140	1	39	-1.0	-40.58	307.89	2.80	-37.78
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600141	0	42	-1.0	-40.72	331.59	3.81	-36.91
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600141	1	42	-1.0	-40.74	331.50	3.82	-36.92
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=N[N-]N=N1	REAL250004600142	0	26	-1.0	-57.21	254.11	4.09	-53.12
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=NN=N[N-]1	REAL250004600142	1	26	-1.0	-57.27	254.02	4.10	-53.17
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004600143	0	29	-1.0	-51.72	280.87	2.61	-49.11
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004600143	1	29	-1.0	-51.66	280.96	2.59	-49.07
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL250004600144	0	24	-1.0	-39.33	243.80	5.14	-34.19
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL250004600144	1	24	-1.0	-39.26	243.89	5.13	-34.13
CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600145	0	33	-1.0	-41.59	276.09	1.51	-40.08
CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600145	1	33	-1.0	-41.63	276.00	1.53	-40.10
O=C(NC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=C1	REAL250004600146	0	24	-1.0	-37.44	241.39	2.56	-34.88
O=C(NC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C=C1	REAL250004600146	1	24	-1.0	-37.54	241.30	2.57	-34.97
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL250004600147	0	26	-1.0	-45.17	254.37	3.48	-41.69
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL250004600147	1	26	-1.0	-45.09	254.47	3.47	-41.62
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CS2)=C1	REAL250004600148	0	23	-1.0	-42.15	238.07	4.00	-38.15
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CS2)=C1	REAL250004600148	1	23	-1.0	-42.09	238.17	3.98	-38.11
O=C(CN1N=C2CCCCCN2C1=O)NC1=N[N-]N=N1	REAL250004600149	0	33	-1.0	-57.90	279.64	4.55	-53.35
O=C(CN1N=C2CCCCCN2C1=O)NC1=NN=N[N-]1	REAL250004600149	1	33	-1.0	-57.95	279.55	4.56	-53.39
CN1C(=O)CC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600150	0	31	-1.0	-51.83	263.75	4.53	-47.30
CN1C(=O)CC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600150	1	31	-1.0	-51.73	263.85	4.50	-47.23
CCOC1=CC=C(C=C(C#N)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600151	0	32	-1.0	-42.73	288.72	5.33	-37.40
CCOC1=CC=C(C=C(C#N)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600151	1	32	-1.0	-42.81	288.62	5.33	-37.48
CCCN1C(C)=CC(C=C(C#N)C(=O)NC2=N[N-]N=N2)=C1C	REAL250004600152	0	38	-1.0	-47.54	325.62	7.38	-40.16
CCCN1C(C)=CC(C=C(C#N)C(=O)NC2=NN=N[N-]2)=C1C	REAL250004600152	1	38	-1.0	-47.66	325.55	7.38	-40.28
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004600153	0	28	-1.0	-43.98	250.56	3.04	-40.94
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004600153	1	28	-1.0	-43.94	250.66	3.03	-40.91
O=C(NC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL250004600154	0	24	-1.0	-41.91	237.86	4.27	-37.64
O=C(NC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2N1	REAL250004600154	1	24	-1.0	-41.84	237.96	4.25	-37.59
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1O	REAL250004600155	0	27	-1.0	-47.36	242.27	4.58	-42.78
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1O	REAL250004600155	1	27	-1.0	-47.32	242.37	4.57	-42.75
CN1N=CC2=C1N=C(CCC(=O)NC1=N[N-]N=N1)NC2=O	REAL250004600156	0	31	-1.0	-47.42	281.35	2.49	-44.93
CN1N=CC2=C1N=C(CCC(=O)NC1=NN=N[N-]1)NC2=O	REAL250004600156	1	31	-1.0	-47.49	281.26	2.51	-44.98
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC=C1O	REAL250004600157	0	21	-1.0	-44.35	217.63	2.90	-41.45
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC=C1O	REAL250004600157	1	21	-1.0	-44.42	217.54	2.92	-41.50
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL250004600158	0	23	-1.0	-48.44	237.21	2.65	-45.79
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CO2)=N1	REAL250004600158	1	23	-1.0	-48.37	237.31	2.64	-45.73
CC(C)C1=CC(C(=O)NC2=NN=N[N-]2)=C(O)C(C(C)C)=C1	REAL250004600159	0	39	-1.0	-46.42	314.95	6.18	-40.24
CC(C)C1=CC(C(=O)NC2=N[N-]N=N2)=C(O)C(C(C)C)=C1	REAL250004600159	1	39	-1.0	-46.35	315.05	6.17	-40.18
O=C(NC1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C=C1	REAL250004600160	0	27	-1.0	-48.18	241.17	4.62	-43.56
O=C(NC1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C=C1	REAL250004600160	1	27	-1.0	-48.11	241.27	4.62	-43.49
CC(OC1=CC=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004600162	0	27	-1.0	-51.76	243.92	5.00	-46.76
CC(OC1=CC=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004600162	1	27	-1.0	-51.84	243.83	5.02	-46.82
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004600163	0	24	-1.0	-44.89	243.65	4.89	-40.00
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004600163	1	24	-1.0	-44.95	243.56	4.90	-40.05
CNC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600164	0	31	-1.0	-50.45	278.44	3.28	-47.17
CNC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600164	1	31	-1.0	-50.51	278.34	3.29	-47.22
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004600165	0	36	-1.0	-44.05	295.74	6.59	-37.46
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004600165	1	36	-1.0	-43.93	295.84	6.57	-37.36
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C=C1	REAL250004600166	0	27	-1.0	-46.33	243.30	6.19	-40.14
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C=C1	REAL250004600166	1	27	-1.0	-46.40	243.20	6.22	-40.18
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004600167	0	32	-1.0	-43.06	295.28	4.99	-38.07
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004600167	1	32	-1.0	-43.11	295.18	5.00	-38.11
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004600168	0	34	-1.0	-42.81	306.24	4.50	-38.31
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004600168	1	34	-1.0	-42.89	306.15	4.52	-38.37
NS(=O)(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600169	0	30	-1.0	-48.26	261.44	-2.20	-50.46
NS(=O)(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600169	1	30	-1.0	-48.33	261.35	-2.18	-50.51
CC1=C(C)C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2N1	REAL250004600170	0	30	-1.0	-46.70	258.76	5.21	-41.49
CC1=C(C)C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2N1	REAL250004600170	1	30	-1.0	-46.61	258.85	5.21	-41.40
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL250004600171	0	34	-1.0	-45.69	293.89	6.82	-38.87
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL250004600171	1	34	-1.0	-45.63	293.99	6.81	-38.82
O=C(NC1=NN=N[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL250004600172	0	30	-1.0	-51.87	269.24	6.37	-45.50
O=C(NC1=N[N-]N=N1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL250004600172	1	30	-1.0	-51.78	269.34	6.34	-45.44
NC(=O)COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600173	0	28	-1.0	-59.59	255.47	1.22	-58.37
NC(=O)COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600173	1	28	-1.0	-59.54	255.57	1.20	-58.34
O=C(CN1CCS(=O)(=O)CC1)NC1=N[N-]N=N1	REAL250004600174	0	28	-1.0	-51.07	246.27	-1.96	-53.03
O=C(CN1CCS(=O)(=O)CC1)NC1=NN=N[N-]1	REAL250004600174	1	28	-1.0	-51.14	246.17	-1.95	-53.09
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=N[N-]N=N1	REAL250004600175	0	35	-1.0	-49.58	310.03	4.99	-44.59
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=NN=N[N-]1	REAL250004600175	1	35	-1.0	-49.65	309.93	5.00	-44.65
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=N[N-]N=N1	REAL250004600176	0	30	-1.0	-46.18	272.80	4.86	-41.32
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=NN=N[N-]1	REAL250004600176	1	30	-1.0	-46.19	272.71	4.88	-41.31
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL250004600177	0	33	-1.0	-45.14	289.09	5.24	-39.90
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL250004600177	1	33	-1.0	-45.05	289.19	5.22	-39.83
O=C(NC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004600178	0	31	-1.0	-46.30	277.22	3.50	-42.80
O=C(NC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004600178	1	31	-1.0	-46.38	277.12	3.52	-42.86
O=C(NC1=NN=N[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL250004600179	0	25	-1.0	-51.49	244.37	3.15	-48.34
O=C(NC1=N[N-]N=N1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL250004600179	1	25	-1.0	-51.40	244.47	3.14	-48.26
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600180	0	28	-1.0	-49.20	254.50	2.03	-47.17
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600180	1	28	-1.0	-49.16	254.60	2.03	-47.13
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=C1	REAL250004600181	0	26	-1.0	-44.48	240.56	5.47	-39.01
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL250004600181	1	26	-1.0	-44.54	240.46	5.48	-39.06
CCCS(=O)(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600182	0	34	-1.0	-63.73	295.22	1.93	-61.80
CCCS(=O)(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004600182	1	34	-1.0	-63.78	295.13	1.95	-61.83
O=C(CN1N=CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004600183	0	28	-1.0	-57.69	258.97	3.52	-54.17
O=C(CN1N=CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004600183	1	28	-1.0	-57.73	258.87	3.53	-54.20
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2)CC1	REAL250004600184	0	27	-1.0	-43.40	255.24	6.00	-37.40
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CC1	REAL250004600184	1	27	-1.0	-43.44	255.14	6.01	-37.43
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=NC=CC(C)=C12	REAL250004600185	0	28	-1.0	-45.88	250.20	4.41	-41.47
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=NC=CC(C)=C12	REAL250004600185	1	28	-1.0	-45.81	250.30	4.41	-41.40
O=C(NC1=NN=N[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL250004600186	0	37	-1.0	-49.11	296.26	6.73	-42.38
O=C(NC1=N[N-]N=N1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL250004600186	1	37	-1.0	-48.98	296.36	6.72	-42.26
CN1C(C(=O)NC2=NN=N[N-]2)=CC(Cl)=C1Cl	REAL250004600187	0	21	-1.0	-38.81	225.43	4.08	-34.73
CN1C(C(=O)NC2=N[N-]N=N2)=CC(Cl)=C1Cl	REAL250004600187	1	21	-1.0	-38.68	225.53	4.07	-34.61
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004600188	0	36	-1.0	-42.75	297.13	6.06	-36.69
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004600188	1	36	-1.0	-42.71	297.22	6.05	-36.66
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL250004600189	0	28	-1.0	-47.66	256.44	4.97	-42.69
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL250004600189	1	28	-1.0	-47.57	256.54	4.95	-42.62
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C2=CC=CN=C12	REAL250004600190	0	25	-1.0	-50.92	240.87	5.03	-45.89
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C2=CC=CN=C12	REAL250004600190	1	25	-1.0	-50.80	240.97	5.03	-45.77
CC(C)(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C=C1	REAL250004600191	0	39	-1.0	-46.95	314.71	7.81	-39.14
CC(C)(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C=C1	REAL250004600191	1	39	-1.0	-47.03	314.62	7.82	-39.21
CC(C)CN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600192	0	33	-1.0	-43.82	273.56	3.69	-40.13
CC(C)CN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600192	1	33	-1.0	-43.81	273.46	3.71	-40.10
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004600193	0	26	-1.0	-53.47	249.27	4.99	-48.48
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004600193	1	26	-1.0	-53.52	249.18	5.00	-48.52
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004600194	0	31	-1.0	-43.24	270.10	4.20	-39.04
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004600194	1	31	-1.0	-43.16	270.20	4.19	-38.97
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL250004600195	0	30	-1.0	-43.79	269.75	5.44	-38.35
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL250004600195	1	30	-1.0	-43.72	269.85	5.41	-38.31
O=C(NC1=NN=N[N-]1)C1=COC(Br)=C1	REAL250004600196	0	17	-1.0	-43.63	192.49	2.51	-41.12
O=C(NC1=N[N-]N=N1)C1=COC(Br)=C1	REAL250004600196	1	17	-1.0	-43.53	192.59	2.51	-41.02
O=C(COC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004600197	0	24	-1.0	-50.11	233.70	4.45	-45.66
O=C(COC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004600197	1	24	-1.0	-50.17	233.60	4.46	-45.71
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL250004600198	0	33	-1.0	-47.89	293.41	5.32	-42.57
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL250004600198	1	33	-1.0	-47.85	293.51	5.32	-42.53
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL250004600199	0	33	-1.0	-53.49	291.38	6.51	-46.98
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL250004600199	1	33	-1.0	-53.37	291.48	6.50	-46.87
CC1=CC=CC=C1C(CC(=O)NC1=N[N-]N=N1)NC(N)=O	REAL250004600200	0	35	-1.0	-43.60	291.27	1.29	-42.31
CC1=CC=CC=C1C(CC(=O)NC1=NN=N[N-]1)NC(N)=O	REAL250004600200	1	35	-1.0	-43.74	291.17	1.30	-42.44
CC1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004600201	0	33	-1.0	-43.89	283.50	5.52	-38.37
CC1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004600201	1	33	-1.0	-43.96	283.40	5.54	-38.42
O=C(NC1=NN=N[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL250004600202	0	33	-1.0	-46.55	274.23	2.48	-44.07
O=C(NC1=N[N-]N=N1)C1CCN(C2=CN=CC=N2)CC1	REAL250004600202	1	33	-1.0	-46.54	274.32	2.47	-44.07
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004600203	0	36	-1.0	-45.41	306.48	6.77	-38.64
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004600203	1	36	-1.0	-45.35	306.58	6.75	-38.60
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NC1=NN=N[N-]1	REAL250004600204	0	28	-1.0	-50.82	260.33	4.67	-46.15
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NC1=N[N-]N=N1	REAL250004600204	1	28	-1.0	-50.77	260.43	4.66	-46.11
O=C(NC1=N[N-]N=N1)C1CCC(C(F)(F)F)NC1=O	REAL250004600205	0	27	-1.0	-47.07	244.27	1.21	-45.86
O=C(NC1=NN=N[N-]1)C1CCC(C(F)(F)F)NC1=O	REAL250004600205	1	27	-1.0	-47.13	244.17	1.23	-45.90
CCOC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1C	REAL250004600206	0	31	-1.0	-42.29	277.80	4.14	-38.15
CCOC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1C	REAL250004600206	1	31	-1.0	-42.37	277.71	4.17	-38.20
CC1=CC=CC(C(CC(=O)NC2=N[N-]N=N2)NC(N)=O)=C1	REAL250004600207	0	35	-1.0	-44.65	294.88	1.54	-43.11
CC1=CC=CC(C(CC(=O)NC2=NN=N[N-]2)NC(N)=O)=C1	REAL250004600207	1	35	-1.0	-44.68	294.78	1.55	-43.13
CC(OC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004600208	0	27	-1.0	-49.52	253.73	5.46	-44.06
CC(OC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004600208	1	27	-1.0	-49.58	253.63	5.48	-44.10
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CC=N1	REAL250004600209	0	33	-1.0	-51.54	285.14	6.67	-44.87
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CC=N1	REAL250004600209	1	33	-1.0	-51.48	285.24	6.66	-44.82
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=NC=CS1	REAL250004600210	0	30	-1.0	-49.59	276.62	5.72	-43.87
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=NC=CS1	REAL250004600210	1	30	-1.0	-49.54	276.72	5.70	-43.84
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CN=C1	REAL250004600211	0	33	-1.0	-48.17	289.12	5.96	-42.21
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CN=C1	REAL250004600211	1	33	-1.0	-48.28	288.91	5.97	-42.31
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1CC1=CC=CC=N1	REAL250004600212	0	36	-1.0	-53.48	307.25	6.60	-46.88
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1CC1=CC=CC=N1	REAL250004600212	1	36	-1.0	-53.41	307.34	6.58	-46.83
O=C(CCOC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004600213	0	27	-1.0	-42.07	248.43	4.16	-37.91
O=C(CCOC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004600213	1	27	-1.0	-42.13	248.33	4.18	-37.95
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004600214	0	33	-1.0	-45.69	285.38	6.09	-39.60
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004600214	1	33	-1.0	-45.60	285.46	6.08	-39.52
O=C(CCOC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004600215	0	27	-1.0	-42.61	248.43	4.17	-38.44
O=C(CCOC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004600215	1	27	-1.0	-42.68	248.33	4.19	-38.49
CCCCNC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600216	0	34	-1.0	-44.55	281.59	5.33	-39.22
CCCCNC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600216	1	34	-1.0	-44.46	281.69	5.33	-39.13
CCN(CC)C(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600217	0	41	-1.0	-50.98	315.24	4.76	-46.22
CCN(CC)C(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600217	1	41	-1.0	-51.02	315.15	4.79	-46.23
CN1C=C(S(=O)(=O)NCC(=O)NC2=NN=N[N-]2)C=N1	REAL250004600218	0	28	-1.0	-52.33	270.70	-2.10	-54.43
CN1C=C(S(=O)(=O)NCC(=O)NC2=N[N-]N=N2)C=N1	REAL250004600218	1	28	-1.0	-52.23	270.79	-2.11	-54.34
CN(C)C(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600219	0	35	-1.0	-50.05	274.39	2.95	-47.10
CN(C)C(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600219	1	35	-1.0	-50.15	274.29	2.98	-47.17
CC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=C(Cl)C2=C1	REAL250004600220	0	27	-1.0	-44.33	256.87	4.93	-39.40
CC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=C(Cl)C2=C1	REAL250004600220	1	27	-1.0	-44.19	256.97	4.92	-39.27
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004600221	0	32	-1.0	-47.94	279.69	5.99	-41.95
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004600221	1	32	-1.0	-47.88	279.79	5.97	-41.91
O=C(NC1=N[N-]N=N1)C1CCN(C(=O)NC2CC2)CC1	REAL250004600222	0	36	-1.0	-49.61	294.36	3.46	-46.15
O=C(NC1=NN=N[N-]1)C1CCN(C(=O)NC2CC2)CC1	REAL250004600222	1	36	-1.0	-49.68	294.26	3.48	-46.20
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)CCCC2=C1	REAL250004600223	0	31	-1.0	-46.72	262.77	3.92	-42.80
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)CCCC2=C1	REAL250004600223	1	31	-1.0	-46.67	262.87	3.91	-42.76
O=C(CCOC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004600224	0	27	-1.0	-41.84	258.75	4.62	-37.22
O=C(CCOC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004600224	1	27	-1.0	-41.93	258.65	4.64	-37.29
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600225	0	32	-1.0	-46.29	289.45	6.20	-40.09
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600225	1	32	-1.0	-46.35	289.35	6.22	-40.13
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1	REAL250004600226	0	27	-1.0	-48.56	248.78	4.97	-43.59
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1	REAL250004600226	1	27	-1.0	-48.45	248.88	4.96	-43.49
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2CCCCC2)C1	REAL250004600227	0	37	-1.0	-51.41	293.54	4.83	-46.58
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL250004600227	1	37	-1.0	-51.50	293.45	4.85	-46.65
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004600228	0	31	-1.0	-46.43	273.04	7.25	-39.18
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004600228	1	31	-1.0	-46.50	272.94	7.27	-39.23
O=C(COC1=CC=CC=C1C(F)(F)F)NC1=N[N-]N=N1	REAL250004600229	0	27	-1.0	-52.60	258.54	5.37	-47.23
O=C(COC1=CC=CC=C1C(F)(F)F)NC1=NN=N[N-]1	REAL250004600229	1	27	-1.0	-52.73	258.44	5.38	-47.35
CN(C)S(=O)(=O)C1=CNC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600230	0	29	-1.0	-50.66	272.42	-0.49	-51.15
CN(C)S(=O)(=O)C1=CNC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600230	1	29	-1.0	-50.71	272.32	-0.48	-51.19
CC1=NC2=CC(F)=CC=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600231	0	28	-1.0	-41.43	251.57	4.85	-36.58
CC1=NC2=CC(F)=CC=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600231	1	28	-1.0	-41.35	251.67	4.85	-36.50
COC1=C2OC(C(=O)NC3=NN=N[N-]3)=CC2=CC=C1	REAL250004600232	0	27	-1.0	-46.00	248.14	3.48	-42.52
COC1=C2OC(C(=O)NC3=N[N-]N=N3)=CC2=CC=C1	REAL250004600232	1	27	-1.0	-45.98	248.24	3.47	-42.51
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL250004600233	0	25	-1.0	-55.83	250.06	5.12	-50.71
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL250004600233	1	25	-1.0	-55.78	250.16	5.11	-50.67
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL250004600234	0	27	-1.0	-47.43	255.19	5.04	-42.39
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL250004600234	1	27	-1.0	-47.37	255.29	5.03	-42.34
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C(=O)NN(C)C2=N1	REAL250004600235	0	29	-1.0	-57.49	258.89	3.14	-54.35
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C(=O)NN(C)C2=N1	REAL250004600235	1	29	-1.0	-57.45	258.98	3.15	-54.30
O=C(CCOC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004600236	0	27	-1.0	-43.05	258.04	4.67	-38.38
O=C(CCOC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004600236	1	27	-1.0	-43.14	257.95	4.68	-38.46
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004600237	0	35	-1.0	-46.56	290.77	6.44	-40.12
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004600237	1	35	-1.0	-46.43	290.87	6.43	-40.00
CNS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600238	0	25	-1.0	-45.64	250.66	-1.96	-47.60
CNS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004600238	1	25	-1.0	-45.57	250.76	-1.98	-47.55
CC1=CC=CC(C)=C1OCCC(=O)NC1=N[N-]N=N1	REAL250004600239	0	33	-1.0	-44.01	283.77	5.64	-38.37
CC1=CC=CC(C)=C1OCCC(=O)NC1=NN=N[N-]1	REAL250004600239	1	33	-1.0	-44.08	283.68	5.66	-38.42
O=C(NC1=N[N-]N=N1)C1CC(=O)N(CC(F)(F)F)C1	REAL250004600240	0	27	-1.0	-44.02	254.06	2.77	-41.25
O=C(NC1=NN=N[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL250004600240	1	27	-1.0	-44.11	253.97	2.78	-41.33
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004600241	0	33	-1.0	-45.55	284.12	6.33	-39.22
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004600241	1	33	-1.0	-45.50	284.23	6.32	-39.18
CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004600242	0	32	-1.0	-44.59	282.78	5.75	-38.84
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004600242	1	32	-1.0	-44.54	282.88	5.75	-38.79
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL250004600243	0	24	-1.0	-42.83	252.21	4.77	-38.06
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL250004600243	1	24	-1.0	-42.77	252.31	4.76	-38.01
CC1=CC=C(C2=NC(CC(=O)NC3=NN=N[N-]3)=CS2)O1	REAL250004600244	0	29	-1.0	-56.54	280.16	4.32	-52.22
CC1=CC=C(C2=NC(CC(=O)NC3=N[N-]N=N3)=CS2)O1	REAL250004600244	1	29	-1.0	-56.51	280.26	4.31	-52.20
CN(CC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL250004600245	0	27	-1.0	-52.49	252.90	3.16	-49.33
CN(CC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL250004600245	1	27	-1.0	-52.55	252.81	3.17	-49.38
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=NN=N[N-]1	REAL250004600246	0	30	-1.0	-49.69	283.21	-0.96	-50.65
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=N[N-]N=N1	REAL250004600246	1	30	-1.0	-49.61	283.30	-0.97	-50.58
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O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CC=N2)O1	REAL250004600247	1	27	-1.0	-46.76	256.01	3.65	-43.11
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL250004600248	0	30	-1.0	-45.55	264.56	4.80	-40.75
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C)=C1OC(F)F	REAL250004600248	1	30	-1.0	-45.48	264.65	4.79	-40.69
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL250004600249	0	34	-1.0	-44.16	281.34	6.01	-38.15
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL250004600249	1	34	-1.0	-44.05	281.44	6.02	-38.03
CC1=CC=CC(NC(=O)NCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600250	0	32	-1.0	-43.89	282.65	2.21	-41.68
CC1=CC=CC(NC(=O)NCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600250	1	32	-1.0	-43.99	282.56	2.22	-41.77
NS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)S1	REAL250004600251	0	25	-1.0	-52.49	258.73	-1.41	-53.90
NS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)S1	REAL250004600251	1	25	-1.0	-52.56	258.63	-1.39	-53.95
CC(C)(C)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600252	0	33	-1.0	-50.41	268.33	3.52	-46.89
CC(C)(C)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600252	1	33	-1.0	-50.48	268.24	3.53	-46.95
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=C(F)C=C2)=NO1	REAL250004600253	0	29	-1.0	-41.64	273.70	5.54	-36.10
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=C(F)C=C2)=NO1	REAL250004600253	1	29	-1.0	-41.58	273.80	5.53	-36.05
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCCC1	REAL250004600254	0	33	-1.0	-43.51	266.40	6.95	-36.56
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCCC1	REAL250004600254	1	33	-1.0	-43.57	266.30	6.98	-36.59
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=C(F)C=C1	REAL250004600255	0	29	-1.0	-42.60	267.69	4.07	-38.53
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=C(F)C=C1	REAL250004600255	1	29	-1.0	-42.56	267.79	4.04	-38.52
O=C(NC1=NN=N[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL250004600256	0	26	-1.0	-58.38	236.43	3.92	-54.46
O=C(NC1=N[N-]N=N1)C1=CNC2=CC=CC=C2C1=O	REAL250004600256	1	26	-1.0	-58.26	236.53	3.91	-54.35
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL250004600257	0	27	-1.0	-45.15	266.88	6.65	-38.50
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2F)S1	REAL250004600257	1	27	-1.0	-45.07	266.99	6.64	-38.43
CC(=O)NC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004600258	0	23	-1.0	-47.15	231.27	0.89	-46.26
CC(=O)NC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004600258	1	23	-1.0	-47.07	231.37	0.88	-46.19
O=C(NC1=N[N-]N=N1)C1CCCN(C(=O)C2CC2)C1	REAL250004600259	0	34	-1.0	-51.47	278.81	4.35	-47.12
O=C(NC1=NN=N[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL250004600259	1	34	-1.0	-51.51	278.72	4.37	-47.14
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL250004600260	0	26	-1.0	-43.43	262.64	5.35	-38.08
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL250004600260	1	26	-1.0	-43.39	262.73	5.33	-38.06
CC(C)C(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600261	0	33	-1.0	-51.44	283.31	4.18	-47.26
CC(C)C(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600261	1	33	-1.0	-51.38	283.42	4.17	-47.21
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL250004600262	0	24	-1.0	-41.24	237.87	4.25	-36.99
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2N1	REAL250004600262	1	24	-1.0	-41.19	237.97	4.23	-36.96
CC1=CC=C(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004600263	0	29	-1.0	-39.82	267.47	5.48	-34.34
CC1=CC=C(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004600263	1	29	-1.0	-39.77	267.57	5.47	-34.30
CN(CC(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=CC=C1	REAL250004600264	0	31	-1.0	-56.03	286.83	2.20	-53.83
CN(CC(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL250004600264	1	31	-1.0	-56.07	286.74	2.21	-53.86
CC(C)C1=NOC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004600265	0	30	-1.0	-43.30	267.42	1.94	-41.36
CC(C)C1=NOC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004600265	1	30	-1.0	-43.33	267.33	1.96	-41.37
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004600266	0	27	-1.0	-53.45	253.28	5.13	-48.32
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004600266	1	27	-1.0	-53.41	253.39	5.12	-48.29
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCOCC1	REAL250004600267	0	34	-1.0	-45.04	271.44	4.71	-40.33
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCOCC1	REAL250004600267	1	34	-1.0	-45.13	271.35	4.72	-40.41
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600268	0	32	-1.0	-51.30	278.24	4.00	-47.30
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600268	1	32	-1.0	-51.20	278.33	3.99	-47.21
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=NN=N[N-]3)S2)O1	REAL250004600269	0	29	-1.0	-44.49	276.13	4.25	-40.24
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=N[N-]N=N3)S2)O1	REAL250004600269	1	29	-1.0	-44.39	276.24	4.24	-40.15
O=C(NC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL250004600270	0	33	-1.0	-47.99	291.42	3.56	-44.43
O=C(NC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL250004600270	1	33	-1.0	-48.08	291.33	3.58	-44.50
CC(C)(C)C1=NOC(CCCC(=O)NC2=N[N-]N=N2)=N1	REAL250004600271	0	36	-1.0	-50.90	308.34	3.26	-47.64
CC(C)(C)C1=NOC(CCCC(=O)NC2=NN=N[N-]2)=N1	REAL250004600271	1	36	-1.0	-50.96	308.24	3.28	-47.68
CN(CC(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL250004600272	0	30	-1.0	-56.66	282.34	0.38	-56.28
CN(CC(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=CN=C1	REAL250004600272	1	30	-1.0	-56.62	282.43	0.37	-56.25
NS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004600273	0	25	-1.0	-50.38	247.03	-1.17	-51.55
NS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004600273	1	25	-1.0	-50.32	247.12	-1.20	-51.52
O=C(NC1=N[N-]N=N1)C1CCCN(C(=O)N2CCCC2)C1	REAL250004600274	0	39	-1.0	-44.16	302.98	4.30	-39.86
O=C(NC1=NN=N[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL250004600274	1	39	-1.0	-44.21	302.88	4.32	-39.89
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004600275	0	27	-1.0	-44.20	261.33	5.70	-38.50
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004600275	1	27	-1.0	-44.15	261.43	5.69	-38.46
CC1=CC=C(C2=NC(C(=O)NC3=NN=N[N-]3)=CS2)O1	REAL250004600276	0	26	-1.0	-48.86	259.12	3.48	-45.38
CC1=CC=C(C2=NC(C(=O)NC3=N[N-]N=N3)=CS2)O1	REAL250004600276	1	26	-1.0	-48.79	259.22	3.47	-45.32
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004600277	0	29	-1.0	-48.68	253.84	4.30	-44.38
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004600277	1	29	-1.0	-48.74	253.74	4.31	-44.43
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600278	0	32	-1.0	-51.70	276.30	3.91	-47.79
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600278	1	32	-1.0	-51.63	276.40	3.89	-47.74
O=C(NC1=N[N-]N=N1)C1=CSC(CC2=CC=CC=C2)=N1	REAL250004600280	0	29	-1.0	-46.81	278.09	5.29	-41.52
O=C(NC1=NN=N[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL250004600280	1	29	-1.0	-46.88	277.98	5.30	-41.58
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600281	0	35	-1.0	-59.70	300.48	3.03	-56.67
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600281	1	35	-1.0	-59.62	300.57	3.00	-56.62
CCC(CC)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600282	0	36	-1.0	-49.47	289.53	5.13	-44.34
CCC(CC)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600282	1	36	-1.0	-49.55	289.44	5.14	-44.41
O=C(NC1=NN=N[N-]1)C1=CNC=C1C1=CC=CC=C1	REAL250004600283	0	28	-1.0	-53.29	251.24	5.33	-47.96
O=C(NC1=N[N-]N=N1)C1=CNC=C1C1=CC=CC=C1	REAL250004600283	1	28	-1.0	-53.22	251.33	5.32	-47.90
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600284	0	34	-1.0	-50.41	305.53	3.18	-47.23
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600284	1	34	-1.0	-50.46	305.44	3.19	-47.27
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004600285	0	33	-1.0	-45.77	289.21	5.90	-39.87
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004600285	1	33	-1.0	-45.69	289.32	5.88	-39.81
N#CC(=CC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004600286	0	25	-1.0	-41.88	243.93	5.15	-36.73
N#CC(=CC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004600286	1	25	-1.0	-41.80	244.02	5.15	-36.65
O=C(C=CC1=C(F)C=CC=C1F)NC1=N[N-]N=N1	REAL250004600287	0	24	-1.0	-47.26	235.76	5.16	-42.10
O=C(C=CC1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL250004600287	1	24	-1.0	-47.35	235.66	5.16	-42.19
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(Br)=C1	REAL250004600288	0	20	-1.0	-40.16	215.11	4.49	-35.67
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(Br)=C1	REAL250004600288	1	20	-1.0	-40.14	215.21	4.47	-35.67
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=N1	REAL250004600289	0	27	-1.0	-56.67	243.65	5.28	-51.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=N1	REAL250004600289	1	27	-1.0	-56.63	243.75	5.26	-51.37
O=C(CCOC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004600290	0	27	-1.0	-42.18	258.75	4.62	-37.56
O=C(CCOC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004600290	1	27	-1.0	-42.24	258.65	4.64	-37.60
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CN=C2)C=C1	REAL250004600291	0	30	-1.0	-51.22	270.78	7.06	-44.16
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL250004600291	1	30	-1.0	-51.30	270.68	7.08	-44.22
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004600292	0	30	-1.0	-48.89	266.03	7.28	-41.61
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL250004600292	1	30	-1.0	-48.81	266.13	7.28	-41.53
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1N1CCCCC1	REAL250004600293	0	34	-1.0	-47.79	279.83	5.39	-42.40
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1CCCCC1	REAL250004600293	1	34	-1.0	-47.83	279.72	5.39	-42.44
O=C(COCCOC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600294	0	31	-1.0	-52.32	276.54	4.57	-47.75
O=C(COCCOC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600294	1	31	-1.0	-52.38	276.45	4.58	-47.80
COC1=CC=CC(COCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600295	0	31	-1.0	-50.57	276.13	4.12	-46.45
COC1=CC=CC(COCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600295	1	31	-1.0	-50.63	276.04	4.13	-46.50
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004600296	0	23	-1.0	-44.51	221.42	2.36	-42.15
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004600296	1	23	-1.0	-44.40	221.53	2.34	-42.06
CC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004600297	0	29	-1.0	-43.92	266.10	4.19	-39.73
CC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004600297	1	29	-1.0	-43.87	266.20	4.17	-39.70
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004600298	0	36	-1.0	-45.83	309.19	6.53	-39.30
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CC1=C(C(=O)NC2=N[N-]N=N2)C(S(N)(=O)=O)=C(C)O1	REAL250004600312	1	28	-1.0	-54.65	267.71	-1.67	-56.32
CCC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004600313	0	30	-1.0	-46.06	276.55	6.12	-39.94
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CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=N[N-]N=N1	REAL250004600314	0	34	-1.0	-46.93	283.99	6.80	-40.13
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=NN=N[N-]1	REAL250004600314	1	34	-1.0	-47.01	283.89	6.82	-40.19
COC1=CC=CC(COC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004600315	0	34	-1.0	-49.55	295.11	4.86	-44.69
COC1=CC=CC(COC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004600315	1	34	-1.0	-49.57	295.02	4.88	-44.69
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CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL250004600322	0	32	-1.0	-50.09	277.36	5.25	-44.84
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL250004600322	1	32	-1.0	-50.04	277.46	5.25	-44.79
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O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL250004600323	1	33	-1.0	-49.75	283.63	7.44	-42.31
O=C(NC1=NN=N[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL250004600324	0	25	-1.0	-44.52	238.02	-0.72	-45.24
O=C(NC1=N[N-]N=N1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL250004600324	1	25	-1.0	-44.44	238.12	-0.72	-45.16
CC(C)CS(=O)(=O)CCC(=O)NC1=N[N-]N=N1	REAL250004600325	0	31	-1.0	-47.67	273.98	1.52	-46.15
CC(C)CS(=O)(=O)CCC(=O)NC1=NN=N[N-]1	REAL250004600325	1	31	-1.0	-47.76	273.89	1.53	-46.23
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CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600329	0	34	-1.0	-43.73	295.74	6.22	-37.51
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600329	1	34	-1.0	-43.68	295.84	6.22	-37.46
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COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004600331	1	28	-1.0	-50.75	255.88	3.31	-47.44
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004600332	0	29	-1.0	-64.40	256.15	3.89	-60.51
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004600332	1	29	-1.0	-64.31	256.24	3.86	-60.45
CC1=NN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL250004600333	0	30	-1.0	-48.34	267.62	5.61	-42.73
CC1=NN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL250004600333	1	30	-1.0	-48.25	267.72	5.60	-42.65
CC1=NN(C2=CC=C(CC(=O)NC3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004600334	0	36	-1.0	-49.44	311.24	6.66	-42.78
CC1=NN(C2=CC=C(CC(=O)NC3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004600334	1	36	-1.0	-49.46	311.14	6.68	-42.78
O=C(CS(=O)(=O)C1CCCC1)NC1=N[N-]N=N1	REAL250004600335	0	29	-1.0	-59.97	257.07	1.31	-58.66
O=C(CS(=O)(=O)C1CCCC1)NC1=NN=N[N-]1	REAL250004600335	1	29	-1.0	-60.04	256.97	1.31	-58.73
CCOC1=CC=CC2=C1OCC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004600336	0	33	-1.0	-46.87	284.49	5.07	-41.80
CCOC1=CC=CC2=C1OCC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004600336	1	33	-1.0	-46.92	284.38	5.07	-41.85
COC1=CC=CC=C1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600337	0	31	-1.0	-46.39	279.45	3.29	-43.10
COC1=CC=CC=C1C1=CC(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600337	1	31	-1.0	-46.27	279.54	3.28	-42.99
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=CS2)=C1	REAL250004600338	0	24	-1.0	-45.57	241.81	2.93	-42.64
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=CS2)=C1	REAL250004600338	1	24	-1.0	-45.56	241.91	2.91	-42.65
O=C(NC1=NN=N[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004600339	0	25	-1.0	-41.08	246.74	4.88	-36.20
O=C(NC1=N[N-]N=N1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004600339	1	25	-1.0	-41.03	246.84	4.87	-36.16
CCC(OC1=CC=CC=C1C)C(=O)NC1=N[N-]N=N1	REAL250004600340	0	33	-1.0	-46.71	273.55	6.22	-40.49
CCC(OC1=CC=CC=C1C)C(=O)NC1=NN=N[N-]1	REAL250004600340	1	33	-1.0	-46.78	273.46	6.22	-40.56
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL250004600341	0	30	-1.0	-46.23	274.60	2.45	-43.78
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL250004600341	1	30	-1.0	-46.19	274.70	2.44	-43.75
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600342	0	34	-1.0	-46.25	301.30	4.23	-42.02
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600342	1	34	-1.0	-46.19	301.41	4.22	-41.97
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=NN=N[N-]1	REAL250004600343	0	30	-1.0	-49.85	270.41	5.69	-44.16
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=N[N-]N=N1	REAL250004600343	1	30	-1.0	-49.76	270.51	5.67	-44.09
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004600344	0	36	-1.0	-49.79	308.55	7.19	-42.60
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004600344	1	36	-1.0	-49.86	308.46	7.21	-42.65
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=N[N-]N=N1	REAL250004600345	0	31	-1.0	-49.46	274.86	5.24	-44.22
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=NN=N[N-]1	REAL250004600345	1	31	-1.0	-49.57	274.77	5.25	-44.32
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL250004600346	0	24	-1.0	-43.16	252.92	4.69	-38.47
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL250004600346	1	24	-1.0	-43.06	253.02	4.68	-38.38
CC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1C	REAL250004600347	0	30	-1.0	-58.81	262.25	3.61	-55.20
CC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1C	REAL250004600347	1	30	-1.0	-58.72	262.35	3.59	-55.13
O=C(CCS(=O)(=O)C1CCCC1)NC1=N[N-]N=N1	REAL250004600348	0	32	-1.0	-47.06	280.59	1.96	-45.10
O=C(CCS(=O)(=O)C1CCCC1)NC1=NN=N[N-]1	REAL250004600348	1	32	-1.0	-47.19	280.49	1.98	-45.21
CC(C)C1=CC=C(SCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600349	0	33	-1.0	-44.43	290.86	6.87	-37.56
CC(C)C1=CC=C(SCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600349	1	33	-1.0	-44.48	290.76	6.87	-37.61
O=C(NC1=NN=N[N-]1)C1=C(Br)C=CS1	REAL250004600350	0	17	-1.0	-44.26	197.20	3.44	-40.82
O=C(NC1=N[N-]N=N1)C1=C(Br)C=CS1	REAL250004600350	1	17	-1.0	-44.21	197.30	3.42	-40.79
O=C(NC1=NN=N[N-]1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL250004600351	0	24	-1.0	-40.14	252.97	4.71	-35.43
O=C(NC1=N[N-]N=N1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL250004600351	1	24	-1.0	-40.03	253.07	4.70	-35.33
O=C(NC1=NN=N[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL250004600352	0	30	-1.0	-41.67	271.75	4.26	-37.41
O=C(NC1=N[N-]N=N1)C1=NC(N2CCCC2)=NC=C1Cl	REAL250004600352	1	30	-1.0	-41.60	271.84	4.26	-37.34
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600353	0	35	-1.0	-48.42	294.83	8.29	-40.13
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600353	1	35	-1.0	-48.33	294.92	8.27	-40.06
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CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600355	0	32	-1.0	-48.35	286.88	2.83	-45.52
CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600355	1	32	-1.0	-48.28	286.98	2.81	-45.47
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O=C(CN1CCCCCCC1=O)NC1=NN=N[N-]1	REAL250004600358	1	33	-1.0	-48.80	257.44	4.16	-44.64
CN1C(=O)C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600359	0	29	-1.0	-45.33	250.21	4.60	-40.73
CN1C(=O)C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600359	1	29	-1.0	-45.25	250.30	4.58	-40.67
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O=C(CC1=NN(C2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004600360	1	29	-1.0	-54.83	265.72	4.31	-50.52
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CNC2=S)C=C1	REAL250004600361	0	28	-1.0	-58.80	269.89	6.55	-52.25
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CCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004600362	0	40	-1.0	-43.80	324.12	7.73	-36.07
CCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004600362	1	40	-1.0	-43.85	324.03	7.74	-36.11
CC(NC(=O)C1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600363	0	33	-1.0	-41.10	274.44	2.72	-38.38
CC(NC(=O)C1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600363	1	33	-1.0	-41.16	274.35	2.74	-38.42
CC1=NN(C)C(C)=C1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600364	0	33	-1.0	-48.64	294.27	2.63	-46.01
CC1=NN(C)C(C)=C1C1=CC(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600364	1	33	-1.0	-48.55	294.35	2.61	-45.94
CC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NN2)O1	REAL250004600365	0	27	-1.0	-46.80	254.92	2.76	-44.04
CC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NN2)O1	REAL250004600365	1	27	-1.0	-46.70	255.02	2.75	-43.95
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CC(C)(C)N1C=C(C(=O)C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600367	0	31	-1.0	-42.51	272.88	3.42	-39.09
CC(C)(C)N1C=C(C(=O)C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600367	1	31	-1.0	-42.57	272.79	3.43	-39.14
CN(CC(=O)NC1=N[N-]N=N1)C1=C2NC=NC2=NC=N1	REAL250004600368	0	29	-1.0	-48.58	253.68	3.31	-45.27
CN(CC(=O)NC1=NN=N[N-]1)C1=C2NC=NC2=NC=N1	REAL250004600368	1	29	-1.0	-48.67	253.59	3.32	-45.35
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL250004600369	0	23	-1.0	-47.88	234.77	4.48	-43.40
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C2C=CC=CN21	REAL250004600369	1	23	-1.0	-47.82	234.87	4.47	-43.35
O=C(CCCC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004600370	0	29	-1.0	-45.96	271.77	6.58	-39.38
O=C(CCCC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004600370	1	29	-1.0	-46.03	271.68	6.60	-39.43
O=C(CCOC1=CC=C(F)C=C1Cl)NC1=N[N-]N=N1	REAL250004600371	0	27	-1.0	-41.29	264.45	4.72	-36.57
O=C(CCOC1=CC=C(F)C=C1Cl)NC1=NN=N[N-]1	REAL250004600371	1	27	-1.0	-41.35	264.36	4.75	-36.60
CC(C)C(=O)NC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004600372	0	32	-1.0	-51.04	291.81	3.09	-47.95
CC(C)C(=O)NC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004600372	1	32	-1.0	-51.11	291.72	3.10	-48.01
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL250004600373	0	33	-1.0	-50.94	293.49	5.31	-45.63
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL250004600373	1	33	-1.0	-50.87	293.59	5.28	-45.59
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004600374	0	30	-1.0	-43.37	274.05	4.14	-39.23
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004600374	1	30	-1.0	-43.33	274.15	4.14	-39.19
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004600375	0	35	-1.0	-45.58	277.74	4.36	-41.22
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004600375	1	35	-1.0	-45.66	277.64	4.38	-41.28
CC1=C(C(=O)NC2=NN=N[N-]2)OC(Br)=C1	REAL250004600376	0	20	-1.0	-40.15	211.20	3.23	-36.92
CC1=C(C(=O)NC2=N[N-]N=N2)OC(Br)=C1	REAL250004600376	1	20	-1.0	-40.05	211.31	3.21	-36.84
O=C(CCCN1C=NC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004600377	0	32	-1.0	-53.38	282.39	6.84	-46.54
O=C(CCCN1C=NC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004600377	1	32	-1.0	-53.46	282.29	6.86	-46.60
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600378	0	34	-1.0	-52.87	290.71	6.75	-46.12
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600378	1	34	-1.0	-52.81	290.80	6.73	-46.08
CC(C)(C)N1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1CC1	REAL250004600379	0	36	-1.0	-48.41	295.79	5.29	-43.12
CC(C)(C)N1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1CC1	REAL250004600379	1	36	-1.0	-48.50	295.69	5.31	-43.19
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=CC=CC=C2N1	REAL250004600380	0	24	-1.0	-44.38	235.50	4.26	-40.12
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=CC=CC=C2N1	REAL250004600380	1	24	-1.0	-44.31	235.60	4.25	-40.06
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL250004600381	0	24	-1.0	-43.38	241.91	4.32	-39.06
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL250004600381	1	24	-1.0	-43.24	242.10	4.32	-38.92
CC(SCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600382	0	30	-1.0	-46.44	275.01	6.41	-40.03
CC(SCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600382	1	30	-1.0	-46.51	274.92	6.42	-40.09
O=C(CC1=CSC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004600383	0	26	-1.0	-46.36	248.40	5.85	-40.51
O=C(CC1=CSC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004600383	1	26	-1.0	-46.27	248.49	5.83	-40.44
O=C(NC1=N[N-]N=N1)C1CCCC(C(F)(F)F)C1	REAL250004600384	0	29	-1.0	-45.23	250.68	4.96	-40.27
O=C(NC1=NN=N[N-]1)C1CCCC(C(F)(F)F)C1	REAL250004600384	1	29	-1.0	-45.27	250.59	4.98	-40.29
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC=C2)=NO1	REAL250004600385	0	28	-1.0	-52.49	255.39	5.14	-47.35
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=C2)=NO1	REAL250004600385	1	28	-1.0	-52.57	255.29	5.15	-47.42
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL250004600386	0	31	-1.0	-56.26	270.12	6.78	-49.48
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL250004600386	1	31	-1.0	-56.19	270.22	6.77	-49.42
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL250004600387	0	27	-1.0	-43.69	265.11	5.49	-38.20
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL250004600387	1	27	-1.0	-43.63	265.21	5.47	-38.16
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL250004600388	0	39	-1.0	-46.32	318.78	7.53	-38.79
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL250004600388	1	39	-1.0	-46.38	318.69	7.55	-38.83
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=N[N-]N=N1	REAL250004600389	0	39	-1.0	-46.25	314.70	7.23	-39.02
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=NN=N[N-]1	REAL250004600389	1	39	-1.0	-46.39	314.61	7.24	-39.15
CC1=CC(OC(C)C(=O)NC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004600390	0	39	-1.0	-46.98	315.20	7.40	-39.58
CC1=CC(OC(C)C(=O)NC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004600390	1	39	-1.0	-47.09	315.11	7.42	-39.67
CC(C)OC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600391	0	34	-1.0	-45.53	291.20	5.84	-39.69
CC(C)OC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600391	1	34	-1.0	-45.56	291.10	5.84	-39.72
CCCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600392	0	34	-1.0	-45.26	294.81	6.02	-39.24
CCCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600392	1	34	-1.0	-45.35	294.70	6.02	-39.33
O=C(CNC(=O)CC(F)(F)F)NC1=N[N-]N=N1	REAL250004600393	0	23	-1.0	-43.38	228.52	0.41	-42.97
O=C(CNC(=O)CC(F)(F)F)NC1=NN=N[N-]1	REAL250004600393	1	23	-1.0	-43.48	228.42	0.42	-43.06
CC1=NN(CC(=O)NC2=N[N-]N=N2)C(C)=C1Cl	REAL250004600394	0	26	-1.0	-48.25	251.05	3.41	-44.84
CC1=NN(CC(=O)NC2=NN=N[N-]2)C(C)=C1Cl	REAL250004600394	1	26	-1.0	-48.38	250.96	3.42	-44.96
COCCN1C=C(C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004600395	0	30	-1.0	-44.53	266.62	2.62	-41.91
COCCN1C=C(C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004600395	1	30	-1.0	-44.42	266.72	2.62	-41.80
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004600396	0	35	-1.0	-45.59	287.77	4.32	-41.27
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004600396	1	35	-1.0	-45.60	287.67	4.34	-41.26
O=C(CCC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004600397	0	23	-1.0	-42.18	240.81	4.98	-37.20
O=C(CCC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004600397	1	23	-1.0	-42.17	240.72	5.00	-37.17
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004600398	0	29	-1.0	-56.85	259.54	1.95	-54.90
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004600398	1	29	-1.0	-56.78	259.63	1.93	-54.85
O=C(CNC(=O)CC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004600399	0	30	-1.0	-43.88	277.52	3.05	-40.83
O=C(CNC(=O)CC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004600399	1	30	-1.0	-44.01	277.43	3.06	-40.95
CC(C)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600400	0	35	-1.0	-43.26	293.77	7.21	-36.05
CC(C)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600400	1	35	-1.0	-43.36	293.67	7.23	-36.13
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004600401	0	27	-1.0	-46.22	259.78	5.32	-40.90
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004600401	1	27	-1.0	-46.28	259.69	5.33	-40.95
O=C(CCN1CCCS1(=O)=O)NC1=N[N-]N=N1	REAL250004600402	0	28	-1.0	-54.57	255.76	-0.20	-54.77
O=C(CCN1CCCS1(=O)=O)NC1=NN=N[N-]1	REAL250004600402	1	28	-1.0	-54.64	255.67	-0.18	-54.82
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=N[N-]N=N1	REAL250004600403	0	27	-1.0	-58.89	267.53	2.79	-56.10
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=NN=N[N-]1	REAL250004600403	1	27	-1.0	-58.96	267.44	2.80	-56.16
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=NC=CC=N2)=N1	REAL250004600404	0	27	-1.0	-47.33	263.14	2.70	-44.63
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=NC=CC=N2)=N1	REAL250004600404	1	27	-1.0	-47.23	263.24	2.69	-44.54
CC(SC1=NN=CN1C)C(=O)NC1=NN=N[N-]1	REAL250004600405	0	26	-1.0	-46.25	246.65	4.90	-41.35
CC(SC1=NN=CN1C)C(=O)NC1=N[N-]N=N1	REAL250004600405	1	26	-1.0	-46.23	246.74	4.88	-41.35
COC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600406	0	31	-1.0	-49.83	276.12	4.12	-45.71
COC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600406	1	31	-1.0	-49.93	276.03	4.13	-45.80
CN1C=C(C2=NC(C(=O)NC3=NN=N[N-]3)=CS2)C=N1	REAL250004600407	0	26	-1.0	-50.30	259.34	2.40	-47.90
CN1C=C(C2=NC(C(=O)NC3=N[N-]N=N3)=CS2)C=N1	REAL250004600407	1	26	-1.0	-50.25	259.44	2.39	-47.86
O=C(CN1C=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004600408	0	20	-1.0	-49.91	214.06	2.53	-47.38
O=C(CN1C=C(Br)C=N1)NC1=NN=N[N-]1	REAL250004600408	1	20	-1.0	-50.01	213.96	2.54	-47.47
CC(NC(=O)C1=COC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600409	0	27	-1.0	-43.92	249.42	1.10	-42.82
CC(NC(=O)C1=COC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600409	1	27	-1.0	-44.03	249.33	1.13	-42.90
CCCC1=C(C(=O)NC2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004600410	0	35	-1.0	-47.75	302.49	4.93	-42.82
CCCC1=C(C(=O)NC2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004600410	1	35	-1.0	-47.67	302.59	4.92	-42.75
CC1=CC(C2(C(=O)NC3=N[N-]N=N3)CCC2)=CC(C)=C1	REAL250004600411	0	36	-1.0	-45.83	298.01	7.35	-38.48
CC1=CC(C2(C(=O)NC3=NN=N[N-]3)CCC2)=CC(C)=C1	REAL250004600411	1	36	-1.0	-45.89	297.92	7.37	-38.52
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004600412	0	23	-1.0	-50.69	228.55	2.57	-48.12
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004600412	1	23	-1.0	-50.61	228.65	2.56	-48.05
CC(C(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=C(F)C=C1	REAL250004600413	0	29	-1.0	-51.84	274.40	2.59	-49.25
CC(C(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL250004600413	1	29	-1.0	-51.89	274.30	2.60	-49.29
O=C(NC1=NN=N[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL250004600414	0	29	-1.0	-49.11	265.63	3.67	-45.44
O=C(NC1=N[N-]N=N1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL250004600414	1	29	-1.0	-49.04	265.73	3.65	-45.39
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=N[N-]N=N1	REAL250004600415	0	34	-1.0	-46.27	289.93	5.08	-41.19
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=NN=N[N-]1	REAL250004600415	1	34	-1.0	-46.33	289.84	5.10	-41.23
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004600416	0	29	-1.0	-46.86	268.04	5.53	-41.33
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004600416	1	29	-1.0	-46.94	267.94	5.55	-41.39
CCOC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004600417	0	31	-1.0	-43.80	272.41	3.96	-39.84
CCOC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004600417	1	31	-1.0	-43.72	272.51	3.95	-39.77
CC1=CC(OC(C)C(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004600418	0	30	-1.0	-45.38	273.95	6.00	-39.38
CC1=CC(OC(C)C(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004600418	1	30	-1.0	-45.50	273.86	6.02	-39.48
CC1=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004600419	0	33	-1.0	-47.68	281.76	6.81	-40.87
CC1=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004600419	1	33	-1.0	-47.80	281.67	6.81	-40.99
CCC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600420	0	30	-1.0	-58.93	263.80	3.53	-55.40
CCC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600420	1	30	-1.0	-58.85	263.90	3.51	-55.34
CC(=O)NC1=C(C)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600421	0	30	-1.0	-45.81	257.19	3.89	-41.92
CC(=O)NC1=C(C)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600421	1	30	-1.0	-45.75	257.31	3.89	-41.86
O=C(CCCOCCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600422	0	36	-1.0	-47.00	310.56	6.13	-40.87
O=C(CCCOCCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600422	1	36	-1.0	-47.05	310.47	6.14	-40.91
CCC(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004600423	0	33	-1.0	-48.76	269.21	3.60	-45.16
CCC(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004600423	1	33	-1.0	-48.82	269.11	3.62	-45.20
CCC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004600424	0	33	-1.0	-59.30	264.54	4.75	-54.55
CCC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004600424	1	33	-1.0	-59.35	264.45	4.76	-54.59
CC1=CC=C(C(C)C)C(OC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004600425	0	39	-1.0	-47.36	318.52	7.54	-39.82
CC1=CC=C(C(C)C)C(OC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004600425	1	39	-1.0	-47.43	318.43	7.56	-39.87
CC1=CC=C(Cl)C(OC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004600426	0	30	-1.0	-49.02	275.13	6.14	-42.88
CC1=CC=C(Cl)C(OC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004600426	1	30	-1.0	-49.04	275.04	6.16	-42.88
CC(C)C1=CC(OC(C)C(=O)NC2=N[N-]N=N2)=CC=C1	REAL250004600427	0	36	-1.0	-46.47	297.91	6.85	-39.62
CC(C)C1=CC(OC(C)C(=O)NC2=NN=N[N-]2)=CC=C1	REAL250004600427	1	36	-1.0	-46.53	297.82	6.87	-39.66
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC2=CC=CC=C12	REAL250004600428	0	28	-1.0	-47.68	248.81	4.80	-42.88
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC2=CC=CC=C12	REAL250004600428	1	28	-1.0	-47.61	248.91	4.79	-42.82
COC1=CC=C2OC(C)=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004600429	0	30	-1.0	-49.13	270.56	4.17	-44.96
COC1=CC=C2OC(C)=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004600429	1	30	-1.0	-49.08	270.66	4.16	-44.92
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=NC=C2)=C1	REAL250004600430	0	25	-1.0	-42.28	241.27	3.09	-39.19
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=NC=C2)=C1	REAL250004600430	1	25	-1.0	-42.21	241.37	3.08	-39.13
CC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004600431	0	33	-1.0	-55.86	263.59	2.90	-52.96
CC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004600431	1	33	-1.0	-55.95	263.50	2.92	-53.03
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL250004600432	0	26	-1.0	-47.37	241.69	2.21	-45.16
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CN=CO2)C=C1	REAL250004600432	1	26	-1.0	-47.32	241.79	2.20	-45.12
CC(C)SC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600433	0	30	-1.0	-43.63	265.20	6.21	-37.42
CC(C)SC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600433	1	30	-1.0	-43.55	265.29	6.20	-37.35
O=C(CSCC1=CC=CC=N1)NC1=N[N-]N=N1	REAL250004600434	0	26	-1.0	-49.20	251.56	4.01	-45.19
O=C(CSCC1=CC=CC=N1)NC1=NN=N[N-]1	REAL250004600434	1	26	-1.0	-49.26	251.47	4.01	-45.25
O=C(CSCC1=CC=NC=C1)NC1=N[N-]N=N1	REAL250004600435	0	26	-1.0	-47.92	251.45	4.10	-43.82
O=C(CSCC1=CC=NC=C1)NC1=NN=N[N-]1	REAL250004600435	1	26	-1.0	-47.99	251.35	4.10	-43.89
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2C=CN=C2)=C1	REAL250004600436	0	26	-1.0	-45.15	240.88	5.49	-39.66
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2C=CN=C2)=C1	REAL250004600436	1	26	-1.0	-45.22	240.78	5.49	-39.73
O=C(CCSCC1=CC=CC=N1)NC1=N[N-]N=N1	REAL250004600437	0	29	-1.0	-45.60	273.23	4.80	-40.80
O=C(CCSCC1=CC=CC=N1)NC1=NN=N[N-]1	REAL250004600437	1	29	-1.0	-45.67	273.13	4.82	-40.85
NC1=C(C(=O)NC2=NN=N[N-]2)C=C(F)C=C1[N+](=O)[O-]	REAL250004600438	0	24	-1.0	-38.83	228.21	2.94	-35.89
NC1=C(C(=O)NC2=N[N-]N=N2)C=C(F)C=C1[N+](=O)[O-]	REAL250004600438	1	24	-1.0	-38.78	228.31	2.94	-35.84
COC1=CC=C(Cl)C=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004600439	0	28	-1.0	-46.94	267.11	4.87	-42.07
COC1=CC=C(Cl)C=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004600439	1	28	-1.0	-47.03	267.01	4.87	-42.16
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL250004600440	0	26	-1.0	-47.26	247.00	4.51	-42.75
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL250004600440	1	26	-1.0	-47.22	247.11	4.49	-42.73
COC1=CC=C(C(=O)CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600441	0	35	-1.0	-55.64	304.56	5.21	-50.43
COC1=CC=C(C(=O)CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600441	1	35	-1.0	-55.74	304.47	5.22	-50.52
CC(SC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004600442	0	27	-1.0	-46.53	262.12	5.86	-40.67
CC(SC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004600442	1	27	-1.0	-46.63	262.03	5.88	-40.75
CC1=NN2C(=C1C(=O)NC1=NN=N[N-]1)N=C(C)C=C2C	REAL250004600443	0	31	-1.0	-55.51	278.61	4.42	-51.09
CC1=NN2C(=C1C(=O)NC1=N[N-]N=N1)N=C(C)C=C2C	REAL250004600443	1	31	-1.0	-55.43	278.71	4.41	-51.02
COC1=CC=C(SC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600444	0	31	-1.0	-44.75	278.79	4.69	-40.06
COC1=CC=C(SC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600444	1	31	-1.0	-44.83	278.70	4.71	-40.12
O=C(CCCOC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004600445	0	30	-1.0	-46.90	280.24	5.38	-41.52
O=C(CCCOC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004600445	1	30	-1.0	-47.01	280.15	5.40	-41.61
O=C(CC1CCCC(C(F)(F)F)C1)NC1=N[N-]N=N1	REAL250004600446	0	32	-1.0	-43.14	269.36	5.66	-37.48
O=C(CC1CCCC(C(F)(F)F)C1)NC1=NN=N[N-]1	REAL250004600446	1	32	-1.0	-43.16	269.27	5.67	-37.49
CC(C)CC(=O)NC(C(=O)NC1=N[N-]N=N1)C(C)C	REAL250004600447	0	38	-1.0	-40.32	300.81	3.58	-36.74
CC(C)CC(=O)NC(C(=O)NC1=NN=N[N-]1)C(C)C	REAL250004600447	1	38	-1.0	-40.39	300.71	3.59	-36.80
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004600448	0	35	-1.0	-52.95	304.59	6.38	-46.57
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004600448	1	35	-1.0	-52.86	304.68	6.37	-46.49
O=C(CCC1=CC=CC=C1Br)NC1=N[N-]N=N1	REAL250004600449	0	26	-1.0	-44.05	249.63	5.71	-38.34
O=C(CCC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL250004600449	1	26	-1.0	-44.10	249.54	5.73	-38.37
CC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600450	0	23	-1.0	-41.19	224.75	5.09	-36.10
CC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600450	1	23	-1.0	-41.14	224.85	5.09	-36.05
CC(C(=O)NC1=N[N-]N=N1)N1C=C(Br)C=N1	REAL250004600451	0	23	-1.0	-45.69	232.57	2.99	-42.70
CC(C(=O)NC1=NN=N[N-]1)N1C=C(Br)C=N1	REAL250004600451	1	23	-1.0	-45.75	232.47	3.01	-42.74
CC(C)NC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600452	0	35	-1.0	-52.48	300.65	2.98	-49.50
CC(C)NC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600452	1	35	-1.0	-52.40	300.74	2.98	-49.42
CC1=NC2=CC(F)=CC(C(=O)NC3=NN=N[N-]3)=C2N=C1C	REAL250004600453	0	30	-1.0	-49.07	266.63	3.84	-45.23
CC1=NC2=CC(F)=CC(C(=O)NC3=N[N-]N=N3)=C2N=C1C	REAL250004600453	1	30	-1.0	-48.96	266.73	3.84	-45.12
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NC1=N[N-]N=N1	REAL250004600454	0	32	-1.0	-54.05	288.42	4.89	-49.16
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NC1=NN=N[N-]1	REAL250004600454	1	32	-1.0	-54.11	288.32	4.90	-49.21
CC(=O)NC1=CC(F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600455	0	27	-1.0	-41.95	246.57	3.29	-38.66
CC(=O)NC1=CC(F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600455	1	27	-1.0	-41.88	246.67	3.28	-38.60
O=C(NC1=NN=N[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL250004600456	0	32	-1.0	-56.86	273.59	3.17	-53.69
O=C(NC1=N[N-]N=N1)C1=CNC(C(=O)N2CCCC2)=C1	REAL250004600456	1	32	-1.0	-56.77	273.69	3.16	-53.61
O=C(NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1)C1=CC=CO1	REAL250004600457	0	31	-1.0	-58.38	283.42	3.85	-54.53
O=C(NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1)C1=CC=CO1	REAL250004600457	1	31	-1.0	-58.32	283.52	3.83	-54.49
O=C(CCC(=O)C1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004600458	0	28	-1.0	-43.73	264.72	5.25	-38.48
O=C(CCC(=O)C1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004600458	1	28	-1.0	-43.81	264.62	5.27	-38.54
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=NN=N[N-]1	REAL250004600459	0	28	-1.0	-46.15	251.29	4.19	-41.96
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=N[N-]N=N1	REAL250004600459	1	28	-1.0	-46.07	251.39	4.20	-41.87
CC(C)SC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600460	0	30	-1.0	-48.71	260.85	6.20	-42.51
CC(C)SC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600460	1	30	-1.0	-48.62	260.95	6.19	-42.43
CCC1=NOC(CCCC(=O)NC2=N[N-]N=N2)=N1	REAL250004600461	0	30	-1.0	-50.84	268.10	2.26	-48.58
CCC1=NOC(CCCC(=O)NC2=NN=N[N-]2)=N1	REAL250004600461	1	30	-1.0	-50.91	268.01	2.28	-48.63
CCCC1=NOC(CCCC(=O)NC2=N[N-]N=N2)=N1	REAL250004600462	0	33	-1.0	-50.70	289.60	3.03	-47.67
CCCC1=NOC(CCCC(=O)NC2=NN=N[N-]2)=N1	REAL250004600462	1	33	-1.0	-50.79	289.51	3.05	-47.74
CCCC1=C(C(=O)NC2=NN=N[N-]2)NC(C)=C1C(=O)OC	REAL250004600463	0	36	-1.0	-46.58	313.23	5.07	-41.51
CCCC1=C(C(=O)NC2=N[N-]N=N2)NC(C)=C1C(=O)OC	REAL250004600463	1	36	-1.0	-46.49	313.33	5.06	-41.43
CCC1=C(C(=O)NC2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004600464	0	32	-1.0	-47.41	280.90	4.14	-43.27
CCC1=C(C(=O)NC2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004600464	1	32	-1.0	-47.34	281.01	4.13	-43.21
CN(C)C1=NC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)S1	REAL250004600465	0	27	-1.0	-45.96	268.19	4.18	-41.78
CN(C)C1=NC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)S1	REAL250004600465	1	27	-1.0	-45.86	268.30	4.17	-41.69
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL250004600466	0	32	-1.0	-44.38	282.70	4.67	-39.71
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL250004600466	1	32	-1.0	-44.31	282.80	4.63	-39.68
O=C(CCN1C=C(Br)C=N1)NC1=NN=N[N-]1	REAL250004600467	0	23	-1.0	-41.85	236.14	3.08	-38.77
O=C(CCN1C=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004600467	1	23	-1.0	-41.77	236.23	3.07	-38.70
NC(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004600468	0	31	-1.0	-55.44	280.71	2.67	-52.77
NC(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004600468	1	31	-1.0	-55.38	280.81	2.66	-52.72
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004600469	0	22	-1.0	-44.02	220.13	4.55	-39.47
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004600469	1	22	-1.0	-43.89	220.23	4.54	-39.35
CC(C)(C)NS(=O)(=O)CC(=O)NC1=N[N-]N=N1	REAL250004600470	0	30	-1.0	-53.36	256.06	-0.78	-54.14
CC(C)(C)NS(=O)(=O)CC(=O)NC1=NN=N[N-]1	REAL250004600470	1	30	-1.0	-53.42	255.97	-0.78	-54.20
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCCC2)=C1	REAL250004600471	0	39	-1.0	-47.81	301.49	7.72	-40.09
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCCC2)=C1	REAL250004600471	1	39	-1.0	-47.83	301.39	7.74	-40.09
O=C(CCCS(=O)(=O)N1CCCC1)NC1=N[N-]N=N1	REAL250004600472	0	34	-1.0	-55.75	297.85	1.46	-54.29
O=C(CCCS(=O)(=O)N1CCCC1)NC1=NN=N[N-]1	REAL250004600472	1	34	-1.0	-55.81	297.75	1.48	-54.33
CC(C(=O)N(C)CC(=O)NC1=NN=N[N-]1)N1C=CC=N1	REAL250004600473	0	33	-1.0	-59.19	284.04	2.92	-56.27
CC(C(=O)N(C)CC(=O)NC1=N[N-]N=N1)N1C=CC=N1	REAL250004600473	1	33	-1.0	-59.08	284.13	2.91	-56.17
CC1=CC=C(C)N1C1=C(C(=O)NC2=NN=N[N-]2)SC=C1	REAL250004600474	0	31	-1.0	-49.44	285.09	7.14	-42.30
CC1=CC=C(C)N1C1=C(C(=O)NC2=N[N-]N=N2)SC=C1	REAL250004600474	1	31	-1.0	-49.35	285.19	7.13	-42.22
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)C1	REAL250004600475	0	28	-1.0	-39.59	256.04	4.12	-35.47
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL250004600475	1	28	-1.0	-39.62	255.94	4.13	-35.49
CCC(=O)NC(CCSC)C(=O)NC1=N[N-]N=N1	REAL250004600476	0	33	-1.0	-56.33	289.90	3.91	-52.42
CCC(=O)NC(CCSC)C(=O)NC1=NN=N[N-]1	REAL250004600476	1	33	-1.0	-56.42	289.80	3.92	-52.50
N#CC1=C(N)N(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)N=C1	REAL250004600477	0	30	-1.0	-47.33	279.26	4.40	-42.93
N#CC1=C(N)N(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)N=C1	REAL250004600477	1	30	-1.0	-47.25	279.36	4.39	-42.86
CC(C)OC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004600478	0	29	-1.0	-41.09	272.57	2.92	-38.17
CC(C)OC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004600478	1	29	-1.0	-40.99	272.67	2.92	-38.07
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004600479	0	29	-1.0	-43.75	259.90	5.90	-37.85
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004600479	1	29	-1.0	-43.81	259.81	5.92	-37.89
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004600480	0	32	-1.0	-44.76	279.66	7.54	-37.22
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004600480	1	32	-1.0	-44.84	279.57	7.55	-37.29
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL250004600481	0	24	-1.0	-48.03	239.45	3.71	-44.32
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=C1NC(=S)N2	REAL250004600481	1	24	-1.0	-47.98	239.55	3.70	-44.28
O=C(CNC(=O)NC1CCCCC1)NC1=N[N-]N=N1	REAL250004600482	0	35	-1.0	-42.62	289.40	1.38	-41.24
O=C(CNC(=O)NC1CCCCC1)NC1=NN=N[N-]1	REAL250004600482	1	35	-1.0	-42.66	289.31	1.39	-41.27
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL250004600483	0	27	-1.0	-44.86	265.11	5.49	-39.37
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL250004600483	1	27	-1.0	-44.77	265.21	5.48	-39.29
CCCC(C)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600484	0	36	-1.0	-50.41	293.88	4.81	-45.60
CCCC(C)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600484	1	36	-1.0	-50.41	293.79	4.83	-45.58
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL250004600485	0	25	-1.0	-52.35	243.19	5.12	-47.23
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CN=C21	REAL250004600485	1	25	-1.0	-52.28	243.29	5.11	-47.17
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL250004600486	0	32	-1.0	-44.05	282.69	4.67	-39.38
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL250004600486	1	32	-1.0	-44.00	282.78	4.65	-39.35
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004600487	0	29	-1.0	-44.57	261.29	4.00	-40.57
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004600487	1	29	-1.0	-44.45	261.39	3.98	-40.47
CC(C)C(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004600488	0	36	-1.0	-59.65	283.77	5.27	-54.38
CC(C)C(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004600488	1	36	-1.0	-59.69	283.68	5.28	-54.41
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1SC1CCCC1	REAL250004600489	0	33	-1.0	-47.77	283.37	6.32	-41.45
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SC1CCCC1	REAL250004600489	1	33	-1.0	-47.69	283.47	6.33	-41.36
CCCC(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004600490	0	36	-1.0	-51.52	290.30	4.37	-47.15
CCCC(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004600490	1	36	-1.0	-51.56	290.20	4.39	-47.17
O=C(NC1=NN=N[N-]1)C1=CNC=C1C1=CC=C(Cl)S1	REAL250004600491	0	25	-1.0	-52.84	258.73	5.08	-47.76
O=C(NC1=N[N-]N=N1)C1=CNC=C1C1=CC=C(Cl)S1	REAL250004600491	1	25	-1.0	-52.72	258.83	5.06	-47.66
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL250004600492	0	24	-1.0	-48.28	227.84	2.74	-45.54
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=NC=CN=C12	REAL250004600492	1	24	-1.0	-48.20	227.93	2.74	-45.46
CC1=C(Br)C(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600493	0	20	-1.0	-46.19	210.72	1.41	-44.78
CC1=C(Br)C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600493	1	20	-1.0	-46.27	210.62	1.42	-44.85
O=C(NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1)NC1CC1	REAL250004600494	0	33	-1.0	-59.41	289.96	3.10	-56.31
O=C(NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1)NC1CC1	REAL250004600494	1	33	-1.0	-59.38	290.06	3.06	-56.32
CCS(=O)(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004600495	0	34	-1.0	-51.39	289.56	1.32	-50.07
CCS(=O)(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004600495	1	34	-1.0	-51.51	289.47	1.34	-50.17
CN(CC(=O)NC1=NN=N[N-]1)C1=NC2=CC=CC=C2S1	REAL250004600496	0	30	-1.0	-51.97	279.25	5.56	-46.41
CN(CC(=O)NC1=N[N-]N=N1)C1=NC2=CC=CC=C2S1	REAL250004600496	1	30	-1.0	-51.91	279.35	5.55	-46.36
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1CCNC1=O	REAL250004600497	0	33	-1.0	-52.02	285.57	3.86	-48.16
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1CCNC1=O	REAL250004600497	1	33	-1.0	-51.98	285.67	3.86	-48.12
O=C(C=CC1=CC2=CC=CN=C2C=C1)NC1=NN=N[N-]1	REAL250004600498	0	29	-1.0	-47.54	263.08	5.35	-42.19
O=C(C=CC1=CC2=CC=CN=C2C=C1)NC1=N[N-]N=N1	REAL250004600498	1	29	-1.0	-47.44	263.18	5.35	-42.09
CCC1=NOC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004600499	0	27	-1.0	-40.87	247.33	1.98	-38.89
CCC1=NOC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004600499	1	27	-1.0	-40.80	247.43	1.97	-38.83
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL250004600500	0	26	-1.0	-42.35	247.51	5.91	-36.44
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL250004600500	1	26	-1.0	-42.26	247.61	5.90	-36.36
O=C(CSCC1=CC=CN=C1)NC1=NN=N[N-]1	REAL250004600501	0	26	-1.0	-48.56	251.31	4.07	-44.49
O=C(CSCC1=CC=CN=C1)NC1=N[N-]N=N1	REAL250004600501	1	26	-1.0	-48.49	251.40	4.07	-44.42
CCSCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600502	0	30	-1.0	-45.61	274.99	6.58	-39.03
CCSCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600502	1	30	-1.0	-45.55	275.09	6.56	-38.99
COC(=O)COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600503	0	30	-1.0	-55.36	273.25	4.73	-50.63
COC(=O)COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600503	1	30	-1.0	-55.30	273.35	4.71	-50.59
COC(=O)COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600504	0	30	-1.0	-49.08	273.17	4.74	-44.34
COC(=O)COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600504	1	30	-1.0	-49.02	273.27	4.74	-44.28
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CS2)S1	REAL250004600505	0	20	-1.0	-43.72	216.67	4.30	-39.42
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CS2)S1	REAL250004600505	1	20	-1.0	-43.64	216.78	4.29	-39.35
CC1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004600506	0	25	-1.0	-42.67	245.54	2.75	-39.92
CC1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004600506	1	25	-1.0	-42.63	245.64	2.74	-39.89
CSC1=NC(C(=O)NC2=NN=N[N-]2)=C2C=CC=CN12	REAL250004600507	0	27	-1.0	-52.43	258.40	5.33	-47.10
CSC1=NC(C(=O)NC2=N[N-]N=N2)=C2C=CC=CN12	REAL250004600507	1	27	-1.0	-52.34	258.51	5.32	-47.02
O=C(CCNC(=O)OCC(F)(F)F)NC1=N[N-]N=N1	REAL250004600508	0	27	-1.0	-48.30	265.21	0.59	-47.71
O=C(CCNC(=O)OCC(F)(F)F)NC1=NN=N[N-]1	REAL250004600508	1	27	-1.0	-48.39	265.12	0.60	-47.79
O=C(CCCOC1=CC=CC=C1F)NC1=N[N-]N=N1	REAL250004600509	0	30	-1.0	-51.61	269.74	4.95	-46.66
O=C(CCCOC1=CC=CC=C1F)NC1=NN=N[N-]1	REAL250004600509	1	30	-1.0	-51.69	269.65	4.96	-46.73
CN1N=NN=C1SCCC(=O)NC1=NN=N[N-]1	REAL250004600510	0	25	-1.0	-52.47	246.94	1.89	-50.58
CN1N=NN=C1SCCC(=O)NC1=N[N-]N=N1	REAL250004600510	1	25	-1.0	-52.40	247.04	1.87	-50.53
CCNC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004600511	0	35	-1.0	-57.11	284.76	1.17	-55.94
CCNC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004600511	1	35	-1.0	-57.17	284.69	1.17	-56.00
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NC1=N[N-]N=N1	REAL250004600512	0	34	-1.0	-49.72	288.88	5.69	-44.03
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NC1=NN=N[N-]1	REAL250004600512	1	34	-1.0	-49.75	288.79	5.71	-44.04
CC(SC1=NN=NN1C1CC1)C(=O)NC1=NN=N[N-]1	REAL250004600513	0	29	-1.0	-42.28	274.02	3.41	-38.87
CC(SC1=NN=NN1C1CC1)C(=O)NC1=N[N-]N=N1	REAL250004600513	1	29	-1.0	-42.21	274.11	3.39	-38.82
CCCOC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004600514	0	30	-1.0	-47.74	274.81	6.54	-41.20
CCCOC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004600514	1	30	-1.0	-47.67	274.90	6.52	-41.15
C=CC(=O)NCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600515	0	31	-1.0	-48.31	281.74	3.36	-44.95
C=CC(=O)NCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600515	1	31	-1.0	-48.27	281.84	3.34	-44.93
O=C(NC1=NN=N[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL250004600516	0	33	-1.0	-45.66	296.55	4.51	-41.15
O=C(NC1=N[N-]N=N1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL250004600516	1	33	-1.0	-45.60	296.65	4.50	-41.10
O=C(CCCOC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004600517	0	30	-1.0	-49.02	269.92	4.93	-44.09
O=C(CCCOC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004600517	1	30	-1.0	-49.10	269.83	4.95	-44.15
CCN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004600518	0	30	-1.0	-43.80	260.59	6.24	-37.56
CCN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004600518	1	30	-1.0	-43.73	260.70	6.23	-37.50
CC(NC(=O)C1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600519	0	36	-1.0	-41.19	291.84	3.38	-37.81
CC(NC(=O)C1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600519	1	36	-1.0	-41.23	291.75	3.40	-37.83
O=C(NC1=N[N-]N=N1)C1CCCCN1C(=O)C1=CC=CO1	REAL250004600520	0	34	-1.0	-59.94	280.41	5.07	-54.87
O=C(NC1=NN=N[N-]1)C1CCCCN1C(=O)C1=CC=CO1	REAL250004600520	1	34	-1.0	-60.05	280.32	5.08	-54.97
O=C(NC1=NN=N[N-]1)C1=CC=CN1CC1=CC=CS1	REAL250004600521	0	28	-1.0	-47.77	261.90	6.22	-41.55
O=C(NC1=N[N-]N=N1)C1=CC=CN1CC1=CC=CS1	REAL250004600521	1	28	-1.0	-47.67	261.99	6.22	-41.45
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL250004600522	0	27	-1.0	-49.88	265.51	5.48	-44.40
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL250004600522	1	27	-1.0	-49.79	265.61	5.48	-44.31
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NC1=N[N-]N=N1	REAL250004600523	0	34	-1.0	-44.62	296.35	6.58	-38.04
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NC1=NN=N[N-]1	REAL250004600523	1	34	-1.0	-44.73	296.26	6.60	-38.13
CC1=CNC(=O)N1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600524	0	31	-1.0	-51.91	279.92	4.69	-47.22
CC1=CNC(=O)N1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600524	1	31	-1.0	-51.86	280.02	4.68	-47.18
O=C(CNC(=O)NCC1=CC=CO1)NC1=N[N-]N=N1	REAL250004600525	0	29	-1.0	-43.64	267.81	-0.20	-43.84
O=C(CNC(=O)NCC1=CC=CO1)NC1=NN=N[N-]1	REAL250004600525	1	29	-1.0	-43.71	267.71	-0.19	-43.90
CCCC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600526	0	33	-1.0	-56.79	273.79	4.87	-51.92
CCCC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004600526	1	33	-1.0	-56.82	273.70	4.88	-51.94
CC1=CC=C(C)C(OCCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600527	0	39	-1.0	-46.00	326.49	7.07	-38.93
CC1=CC=C(C)C(OCCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600527	1	39	-1.0	-46.03	326.40	7.08	-38.95
CC(C)(C)C1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004600528	0	28	-1.0	-43.29	255.86	3.50	-39.79
CC(C)(C)C1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004600528	1	28	-1.0	-43.22	255.97	3.49	-39.73
COC1=CC=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600529	0	26	-1.0	-55.70	243.60	4.41	-51.29
COC1=CC=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600529	1	26	-1.0	-55.61	243.69	4.39	-51.22
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL250004600530	0	27	-1.0	-50.72	255.19	5.04	-45.68
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL250004600530	1	27	-1.0	-50.66	255.29	5.03	-45.63
O=C(NC1=N[N-]N=N1)C1CCCN1CC1=CC=CC=C1	REAL250004600531	0	35	-1.0	-48.40	291.23	4.65	-43.75
O=C(NC1=NN=N[N-]1)C1CCCN1CC1=CC=CC=C1	REAL250004600531	1	35	-1.0	-48.45	291.14	4.67	-43.78
O=C(CNC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004600532	0	25	-1.0	-44.85	239.42	3.36	-41.49
O=C(CNC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004600532	1	25	-1.0	-44.94	239.33	3.37	-41.57
CC1=C(CC(=O)NC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004600533	0	32	-1.0	-53.66	283.53	4.67	-48.99
CC1=C(CC(=O)NC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004600533	1	32	-1.0	-53.73	283.45	4.69	-49.04
COC1=CC=C(Cl)C=C1NCCC(=O)NC1=N[N-]N=N1	REAL250004600534	0	32	-1.0	-45.81	292.28	3.33	-42.48
COC1=CC=C(Cl)C=C1NCCC(=O)NC1=NN=N[N-]1	REAL250004600534	1	32	-1.0	-45.88	292.19	3.34	-42.54
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL250004600535	0	28	-1.0	-43.37	267.51	3.11	-40.26
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C(N2CCCC2)S1	REAL250004600535	1	28	-1.0	-43.31	267.62	3.09	-40.22
COC1=CC=C(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)C=C1	REAL250004600536	0	31	-1.0	-49.20	278.26	4.27	-44.93
COC1=CC=C(N2C=CC(C(=O)NC3=N[N-]N=N3)=N2)C=C1	REAL250004600536	1	31	-1.0	-49.10	278.36	4.26	-44.84
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004600537	0	32	-1.0	-42.93	285.72	6.72	-36.21
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004600537	1	32	-1.0	-43.03	285.62	6.73	-36.30
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004600538	0	37	-1.0	-43.95	280.89	5.02	-38.93
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004600538	1	37	-1.0	-44.03	280.79	5.04	-38.99
CC1=CC=CC(OCCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600539	0	36	-1.0	-45.83	306.42	6.33	-39.50
CC1=CC=CC(OCCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600539	1	36	-1.0	-45.92	306.33	6.34	-39.58
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=N[N-]N=N1	REAL250004600540	0	28	-1.0	-50.05	259.34	5.28	-44.77
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=NN=N[N-]1	REAL250004600540	1	28	-1.0	-50.15	259.25	5.30	-44.85
NC(=O)C1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600541	0	28	-1.0	-53.44	255.51	1.12	-52.32
NC(=O)C1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600541	1	28	-1.0	-53.52	255.42	1.13	-52.39
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL250004600542	0	22	-1.0	-52.60	220.55	5.17	-47.43
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL250004600542	1	22	-1.0	-52.53	220.64	5.15	-47.38
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL250004600543	0	36	-1.0	-44.08	286.47	7.12	-36.96
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL250004600543	1	36	-1.0	-44.15	286.38	7.14	-37.01
CC(C)(C)C(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004600544	0	39	-1.0	-51.41	298.51	4.27	-47.14
CC(C)(C)C(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004600544	1	39	-1.0	-51.44	298.42	4.29	-47.15
CCOC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004600545	0	26	-1.0	-43.82	251.19	2.10	-41.72
CCOC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600545	1	26	-1.0	-43.75	251.29	2.09	-41.66
CC(C)(C)OC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004600546	0	40	-1.0	-55.59	311.63	5.21	-50.38
CC(C)(C)OC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004600546	1	40	-1.0	-55.65	311.54	5.22	-50.43
CC(C)(C)OC(=O)NC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004600547	0	36	-1.0	-39.64	288.37	2.00	-37.64
CC(C)(C)OC(=O)NC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004600547	1	36	-1.0	-39.66	288.28	2.03	-37.63
COCCN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600548	0	34	-1.0	-51.54	297.72	5.46	-46.08
COCCN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600548	1	34	-1.0	-51.40	297.83	5.45	-45.95
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL250004600549	0	33	-1.0	-45.00	297.33	4.65	-40.35
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL250004600549	1	33	-1.0	-44.94	297.43	4.63	-40.31
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL250004600550	0	36	-1.0	-45.63	286.11	7.12	-38.51
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL250004600550	1	36	-1.0	-45.72	286.02	7.14	-38.58
C=CCOC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004600551	0	27	-1.0	-43.81	264.10	2.67	-41.14
C=CCOC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600551	1	27	-1.0	-43.75	264.19	2.67	-41.08
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL250004600552	0	34	-1.0	-47.38	277.83	4.78	-42.60
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL250004600552	1	34	-1.0	-47.45	277.73	4.79	-42.66
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL250004600553	0	34	-1.0	-44.33	277.82	4.78	-39.55
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL250004600553	1	34	-1.0	-44.41	277.73	4.79	-39.62
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2CC2)C=C1	REAL250004600554	0	31	-1.0	-44.49	270.34	5.64	-38.85
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2CC2)C=C1	REAL250004600554	1	31	-1.0	-44.46	270.44	5.63	-38.83
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL250004600555	0	32	-1.0	-44.22	273.32	6.04	-38.18
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL250004600555	1	32	-1.0	-44.14	273.42	6.03	-38.11
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL250004600556	0	26	-1.0	-46.78	258.68	4.98	-41.80
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2F)S1	REAL250004600556	1	26	-1.0	-46.67	258.78	4.97	-41.70
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1SC(F)(F)F	REAL250004600557	0	23	-1.0	-45.33	237.95	4.07	-41.26
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SC(F)(F)F	REAL250004600557	1	23	-1.0	-45.29	238.05	4.07	-41.22
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004600558	0	35	-1.0	-44.16	307.05	4.49	-39.67
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004600558	1	35	-1.0	-44.14	307.15	4.48	-39.66
CCCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004600559	0	43	-1.0	-43.69	345.62	8.51	-35.18
CCCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004600559	1	43	-1.0	-43.72	345.53	8.52	-35.20
COCCOC1=NC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600560	0	30	-1.0	-53.28	267.91	1.88	-51.40
COCCOC1=NC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600560	1	30	-1.0	-53.25	268.01	1.88	-51.37
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL250004600561	0	31	-1.0	-50.03	271.38	4.94	-45.09
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL250004600561	1	31	-1.0	-50.15	271.28	4.96	-45.19
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CN=C2)=N1	REAL250004600562	0	29	-1.0	-53.16	261.05	3.29	-49.87
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CN=C2)=N1	REAL250004600562	1	29	-1.0	-53.07	261.16	3.28	-49.79
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004600563	0	27	-1.0	-53.88	250.47	3.69	-50.19
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004600563	1	27	-1.0	-53.97	250.38	3.70	-50.27
CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004600564	0	30	-1.0	-47.99	271.24	6.37	-41.62
CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004600564	1	30	-1.0	-47.91	271.34	6.35	-41.56
CC(=O)NC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600565	0	27	-1.0	-57.31	248.35	2.78	-54.53
CC(=O)NC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600565	1	27	-1.0	-50.20	248.15	2.76	-47.44
CC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004600566	0	27	-1.0	-53.04	248.56	2.85	-50.19
CC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004600566	1	27	-1.0	-52.99	248.66	2.82	-50.17
CC1=NOC(Cl)=C1CCC(=O)NC1=N[N-]N=N1	REAL250004600567	0	25	-1.0	-42.13	246.30	3.87	-38.26
CC1=NOC(Cl)=C1CCC(=O)NC1=NN=N[N-]1	REAL250004600567	1	25	-1.0	-42.19	246.21	3.88	-38.31
COCCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600568	0	31	-1.0	-54.34	270.21	4.45	-49.89
COCCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600568	1	31	-1.0	-54.32	270.31	4.45	-49.87
COCCOC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600569	0	31	-1.0	-50.46	272.37	3.32	-47.14
COCCOC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600569	1	31	-1.0	-50.35	272.47	3.28	-47.07
CCSC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004600570	0	26	-1.0	-43.87	247.55	4.06	-39.81
CCSC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004600570	1	26	-1.0	-43.83	247.65	4.05	-39.78
O=C(CCNC(=O)C1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004600571	0	30	-1.0	-52.77	275.02	2.98	-49.79
O=C(CCNC(=O)C1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004600571	1	30	-1.0	-52.85	274.93	3.00	-49.85
CC1=CC=C(C)N1C1=C(C(=O)NC2=NN=N[N-]2)C=NN1C	REAL250004600572	0	34	-1.0	-47.19	299.85	6.39	-40.80
CC1=CC=C(C)N1C1=C(C(=O)NC2=N[N-]N=N2)C=NN1C	REAL250004600572	1	34	-1.0	-47.09	299.95	6.38	-40.71
CCOC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600573	0	33	-1.0	-44.35	284.90	5.50	-38.85
CCOC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600573	1	33	-1.0	-44.44	284.81	5.52	-38.92
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL250004600574	0	29	-1.0	-44.13	257.82	5.55	-38.58
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL250004600574	1	29	-1.0	-44.03	257.92	5.54	-38.49
O=C(CN1C=CC2=CC=C(Cl)C=C21)NC1=N[N-]N=N1	REAL250004600575	0	27	-1.0	-48.02	262.02	6.46	-41.56
O=C(CN1C=CC2=CC=C(Cl)C=C21)NC1=NN=N[N-]1	REAL250004600575	1	27	-1.0	-48.06	261.92	6.46	-41.60
O=C(CCC1=CC(F)=CC=C1F)NC1=N[N-]N=N1	REAL250004600576	0	26	-1.0	-44.03	245.40	5.38	-38.65
O=C(CCC1=CC(F)=CC=C1F)NC1=NN=N[N-]1	REAL250004600576	1	26	-1.0	-44.09	245.31	5.39	-38.70
CC1=C(C)N(CC(=O)NC2=N[N-]N=N2)C(=O)S1	REAL250004600577	0	26	-1.0	-50.59	244.17	3.22	-47.37
CC1=C(C)N(CC(=O)NC2=NN=N[N-]2)C(=O)S1	REAL250004600577	1	26	-1.0	-50.60	244.08	3.23	-47.37
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004600578	0	33	-1.0	-47.09	296.52	3.79	-43.30
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004600578	1	33	-1.0	-47.18	296.43	3.80	-43.38
CC(C)NC(=O)CN(C)CC(=O)NC1=N[N-]N=N1	REAL250004600579	0	34	-1.0	-55.02	283.52	0.07	-54.95
CC(C)NC(=O)CN(C)CC(=O)NC1=NN=N[N-]1	REAL250004600579	1	34	-1.0	-55.09	283.42	0.08	-55.01
CC(C)OC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004600580	0	29	-1.0	-43.73	271.33	3.01	-40.72
CC(C)OC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600580	1	29	-1.0	-43.65	271.43	3.00	-40.65
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1	REAL250004600581	0	23	-1.0	-37.56	228.16	4.63	-32.93
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1	REAL250004600581	1	23	-1.0	-37.63	228.07	4.65	-32.98
COC1=NC(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004600582	0	29	-1.0	-46.23	262.00	3.00	-43.23
COC1=NC(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004600582	1	29	-1.0	-46.21	262.09	3.00	-43.21
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL250004600583	0	29	-1.0	-56.25	259.15	2.80	-53.45
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL250004600583	1	29	-1.0	-56.14	259.25	2.80	-53.34
O=C(NC1=N[N-]N=N1)C1=NNC(C2CC2)=C1Br	REAL250004600584	0	24	-1.0	-45.03	241.02	3.01	-42.02
O=C(NC1=NN=N[N-]1)C1=NNC(C2CC2)=C1Br	REAL250004600584	1	24	-1.0	-45.09	240.92	3.02	-42.07
O=C(NC1=NN=N[N-]1)C(C1=CC=CC=C1)N1C=CC=N1	REAL250004600585	0	30	-1.0	-42.28	268.22	4.98	-37.30
O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1)N1C=CC=N1	REAL250004600585	1	30	-1.0	-42.23	268.32	4.97	-37.26
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL250004600586	0	26	-1.0	-45.39	258.32	4.61	-40.78
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2F)=N1	REAL250004600586	1	26	-1.0	-45.33	258.42	4.60	-40.73
O=C(NC1=NN=N[N-]1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL250004600587	0	33	-1.0	-63.66	290.47	6.84	-56.82
O=C(NC1=N[N-]N=N1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL250004600587	1	33	-1.0	-63.58	290.57	6.84	-56.74
CCCCN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600588	0	37	-1.0	-46.77	303.48	6.70	-40.07
CCCCN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600588	1	37	-1.0	-46.71	303.59	6.71	-40.00
CCCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600589	0	37	-1.0	-46.43	303.79	6.86	-39.57
CCCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600589	1	37	-1.0	-46.32	303.90	6.86	-39.46
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1Cl	REAL250004600590	0	26	-1.0	-41.12	255.73	4.31	-36.81
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1Cl	REAL250004600590	1	26	-1.0	-41.07	255.82	4.30	-36.77
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL250004600591	0	25	-1.0	-51.46	250.20	2.75	-48.71
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CC=N2)=N1	REAL250004600591	1	25	-1.0	-51.42	250.30	2.74	-48.68
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL250004600592	0	33	-1.0	-40.27	277.36	2.73	-37.54
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL250004600592	1	33	-1.0	-40.17	277.44	2.74	-37.43
CC1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004600594	0	23	-1.0	-40.21	235.85	2.59	-37.62
CC1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004600594	1	23	-1.0	-40.28	235.75	2.60	-37.68
CC1=NN(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004600595	0	30	-1.0	-55.65	267.73	5.60	-50.05
CC1=NN(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004600595	1	30	-1.0	-55.57	267.82	5.58	-49.99
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL250004600596	0	28	-1.0	-42.63	256.78	5.13	-37.50
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL250004600596	1	28	-1.0	-42.54	256.88	5.12	-37.42
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=NC=C2)=N1	REAL250004600597	0	29	-1.0	-49.23	261.22	3.37	-45.86
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=NC=C2)=N1	REAL250004600597	1	29	-1.0	-49.13	261.31	3.37	-45.76
CC(C)C(C(=O)NC1=N[N-]N=N1)N1CC(C)OC(C)C1	REAL250004600598	0	41	-1.0	-46.07	307.77	3.02	-43.05
CC(C)C(C(=O)NC1=NN=N[N-]1)N1CC(C)OC(C)C1	REAL250004600598	1	41	-1.0	-46.11	307.67	3.03	-43.08
COC(=O)NC(CC(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600599	0	33	-1.0	-40.72	276.71	1.79	-38.93
COC(=O)NC(CC(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600599	1	33	-1.0	-40.76	276.61	1.80	-38.96
CC(C)C(C(=O)NC1=NN=N[N-]1)N1CCCCC1	REAL250004600602	1	37	-1.0	-45.65	279.62	4.34	-41.31
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL250004600603	0	30	-1.0	-45.08	270.83	4.93	-40.15
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL250004600603	1	30	-1.0	-45.00	270.93	4.90	-40.10
CN1C=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600604	0	30	-1.0	-49.73	266.40	6.27	-43.46
CN1C=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600604	1	30	-1.0	-49.66	266.50	6.25	-43.41
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600605	0	36	-1.0	-44.10	298.09	5.18	-38.92
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600605	1	36	-1.0	-44.00	298.19	5.18	-38.82
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL250004600606	0	23	-1.0	-42.68	231.67	4.87	-37.81
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL250004600606	1	23	-1.0	-42.60	231.77	4.84	-37.76
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C(F)=C1	REAL250004600607	0	20	-1.0	-39.93	214.39	4.46	-35.47
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C(F)=C1	REAL250004600607	1	20	-1.0	-39.85	214.49	4.45	-35.40
COC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL250004600608	0	37	-1.0	-48.89	296.48	6.21	-42.68
COC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL250004600608	1	37	-1.0	-49.00	296.38	6.23	-42.77
CCS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600609	0	29	-1.0	-49.51	269.53	2.24	-47.27
CCS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600609	1	29	-1.0	-49.47	269.63	2.22	-47.25
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600610	0	33	-1.0	-41.60	276.07	1.51	-40.09
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600610	1	33	-1.0	-41.65	275.98	1.53	-40.12
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004600611	0	37	-1.0	-54.56	301.49	4.14	-50.42
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004600611	1	37	-1.0	-54.65	301.40	4.16	-50.49
C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600612	0	33	-1.0	-41.56	276.07	1.51	-40.05
C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600612	1	33	-1.0	-41.67	275.98	1.53	-40.14
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL250004600613	0	27	-1.0	-48.22	252.77	5.13	-43.09
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2F)N=C1	REAL250004600613	1	27	-1.0	-48.07	252.87	5.11	-42.96
CC(=O)C1=CC=CC(OCCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600614	0	35	-1.0	-56.06	306.28	5.36	-50.70
CC(=O)C1=CC=CC(OCCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600614	1	35	-1.0	-56.18	306.19	5.37	-50.81
O=C(CNC(=O)OCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600615	0	31	-1.0	-42.80	283.40	2.57	-40.23
O=C(CNC(=O)OCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600615	1	31	-1.0	-42.89	283.31	2.58	-40.31
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004600616	0	28	-1.0	-51.00	253.04	5.66	-45.34
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004600616	1	28	-1.0	-51.05	252.94	5.68	-45.37
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004600617	0	29	-1.0	-47.94	266.11	3.39	-44.55
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004600617	1	29	-1.0	-48.02	266.02	3.41	-44.61
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL250004600618	0	35	-1.0	-47.37	287.65	4.54	-42.83
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL250004600618	1	35	-1.0	-47.43	287.55	4.56	-42.87
O=C(CCN1C=C([N+](=O)[O-])C=N1)NC1=NN=N[N-]1	REAL250004600619	0	25	-1.0	-43.96	244.62	3.18	-40.78
O=C(CCN1C=C([N+](=O)[O-])C=N1)NC1=N[N-]N=N1	REAL250004600619	1	25	-1.0	-43.85	244.71	3.17	-40.68
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=N[N-]N=N1	REAL250004600620	0	28	-1.0	-47.45	264.26	5.48	-41.97
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=NN=N[N-]1	REAL250004600620	1	28	-1.0	-47.55	264.17	5.50	-42.05
CCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600621	0	33	-1.0	-45.34	279.62	5.53	-39.81
CCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600621	1	33	-1.0	-45.40	279.52	5.53	-39.87
COC1=CC=C(C)C=C1N1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004600622	0	34	-1.0	-50.98	297.48	5.27	-45.71
COC1=CC=C(C)C=C1N1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600622	1	34	-1.0	-50.86	297.58	5.26	-45.60
CN1C(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004600623	0	27	-1.0	-47.89	245.32	2.66	-45.23
CN1C(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004600623	1	27	-1.0	-47.78	245.42	2.65	-45.13
CN(C)C(=O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004600624	0	29	-1.0	-55.20	264.84	0.60	-54.60
CN(C)C(=O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004600624	1	29	-1.0	-55.13	264.94	0.58	-54.55
N#CC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004600625	0	25	-1.0	-50.59	257.89	5.25	-45.34
N#CC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004600625	1	25	-1.0	-50.70	257.80	5.26	-45.44
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=CC(Cl)=C1	REAL250004600626	0	23	-1.0	-39.00	238.48	5.07	-33.93
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=CC(Cl)=C1	REAL250004600626	1	23	-1.0	-39.01	238.38	5.09	-33.92
CC(C)OC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004600627	0	33	-1.0	-46.97	281.44	5.32	-41.65
CC(C)OC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004600627	1	33	-1.0	-47.02	281.34	5.34	-41.68
NS(=O)(=O)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600628	0	28	-1.0	-56.21	265.51	-0.54	-56.75
NS(=O)(=O)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600628	1	28	-1.0	-56.15	265.61	-0.55	-56.70
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL250004600629	0	27	-1.0	-62.50	257.39	4.70	-57.80
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CS2)NC1=O	REAL250004600629	1	27	-1.0	-62.37	257.49	4.70	-57.67
CC(C)CC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004600630	0	28	-1.0	-45.21	256.41	3.52	-41.69
CC(C)CC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004600630	1	28	-1.0	-45.32	256.31	3.53	-41.79
CC1=CC=C(CCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600631	0	35	-1.0	-44.80	297.95	7.51	-37.29
CC1=CC=C(CCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600631	1	35	-1.0	-44.88	297.86	7.53	-37.35
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL250004600632	0	27	-1.0	-46.78	260.48	5.67	-41.11
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL250004600632	1	27	-1.0	-46.66	260.58	5.66	-41.00
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NC1=N[N-]N=N1	REAL250004600633	0	26	-1.0	-50.88	253.78	5.01	-45.87
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NC1=NN=N[N-]1	REAL250004600633	1	26	-1.0	-50.93	253.69	5.02	-45.91
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004600634	0	26	-1.0	-52.04	251.43	5.55	-46.49
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004600634	1	26	-1.0	-52.10	251.33	5.54	-46.56
COC1=CC=C2CC(C(=O)NC3=N[N-]N=N3)COC2=C1	REAL250004600635	0	32	-1.0	-42.87	271.55	3.63	-39.24
COC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)COC2=C1	REAL250004600635	1	32	-1.0	-42.90	271.45	3.64	-39.26
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL250004600636	0	26	-1.0	-46.52	256.83	4.06	-42.46
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL250004600636	1	26	-1.0	-46.42	256.93	4.04	-42.38
O=C(CCCOC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004600637	0	30	-1.0	-50.24	276.15	5.00	-45.24
O=C(CCCOC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004600637	1	30	-1.0	-50.31	276.06	5.02	-45.29
NS(=O)(=O)C1=CN(CCC(=O)NC2=NN=N[N-]2)N=C1	REAL250004600638	0	28	-1.0	-49.47	270.87	-2.67	-52.14
NS(=O)(=O)C1=CN(CCC(=O)NC2=N[N-]N=N2)N=C1	REAL250004600638	1	28	-1.0	-49.36	270.96	-2.68	-52.04
CN1C(C(=O)NC2=NN=N[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL250004600639	0	31	-1.0	-44.42	271.97	6.50	-37.92
CN1C(C(=O)NC2=N[N-]N=N2)=CC=C1C1=CC=C(F)C=C1	REAL250004600639	1	31	-1.0	-44.33	272.07	6.49	-37.84
CC(C)CN1N=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004600640	0	34	-1.0	-43.76	291.51	4.85	-38.91
CC(C)CN1N=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004600640	1	34	-1.0	-43.70	291.60	4.84	-38.86
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL250004600641	0	31	-1.0	-42.17	273.73	4.11	-38.06
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL250004600641	1	31	-1.0	-42.26	273.63	4.12	-38.14
CC1=C(C(=O)NC2=NN=N[N-]2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL250004600642	0	27	-1.0	-37.38	253.92	5.64	-31.74
CC1=C(C(=O)NC2=N[N-]N=N2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL250004600642	1	27	-1.0	-37.29	254.01	5.64	-31.65
CC1=CN(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004600643	0	30	-1.0	-48.65	267.13	6.63	-42.02
CC1=CN(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004600643	1	30	-1.0	-48.60	267.23	6.62	-41.98
CCCCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600644	0	40	-1.0	-46.50	325.29	7.64	-38.86
CCCCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600644	1	40	-1.0	-46.43	325.39	7.64	-38.79
O=C(NC1=NN=N[N-]1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL250004600645	0	26	-1.0	-60.07	247.98	4.47	-55.60
O=C(NC1=N[N-]N=N1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL250004600645	1	26	-1.0	-59.97	248.08	4.46	-55.51
NS(=O)(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)N=C1	REAL250004600646	0	25	-1.0	-55.63	248.71	-3.23	-58.86
NS(=O)(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)N=C1	REAL250004600646	1	25	-1.0	-55.70	248.62	-3.22	-58.92
CCOC(CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1)OCC	REAL250004600647	0	36	-1.0	-44.95	314.05	1.83	-43.12
CCOC(CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1)OCC	REAL250004600647	1	36	-1.0	-44.88	314.15	1.81	-43.07
O=C(CSCC(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600648	0	29	-1.0	-54.74	276.63	5.71	-49.03
O=C(CSCC(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600648	1	29	-1.0	-54.86	276.54	5.71	-49.15
CCN1C=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600649	0	33	-1.0	-49.29	288.26	7.17	-42.12
CCN1C=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600649	1	33	-1.0	-49.22	288.35	7.15	-42.07
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004600650	0	30	-1.0	-52.69	268.84	6.01	-46.68
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004600650	1	30	-1.0	-52.64	268.94	5.99	-46.65
O=C(CCC1=NC(C2=NNC=N2)=NO1)NC1=N[N-]N=N1	REAL250004600651	0	27	-1.0	-52.00	259.86	1.01	-50.99
O=C(CCC1=NC(C2=NNC=N2)=NO1)NC1=NN=N[N-]1	REAL250004600651	1	27	-1.0	-52.06	259.77	1.03	-51.03
CC(OCC1CCCCO1)C(=O)NC1=N[N-]N=N1	REAL250004600652	0	34	-1.0	-50.59	280.89	3.82	-46.77
CC(OCC1CCCCO1)C(=O)NC1=NN=N[N-]1	REAL250004600652	1	34	-1.0	-50.65	280.80	3.84	-46.81
CC(C)(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004600653	0	42	-1.0	-43.92	330.31	8.46	-35.46
CC(C)(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004600653	1	42	-1.0	-43.95	330.21	8.47	-35.48
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004600654	0	32	-1.0	-56.44	279.77	5.30	-51.14
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004600654	1	32	-1.0	-56.51	279.68	5.32	-51.19
N#CC1=CC=C(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)C=C1	REAL250004600655	0	32	-1.0	-45.43	287.53	5.15	-40.28
N#CC1=CC=C(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)C=C1	REAL250004600655	1	32	-1.0	-45.51	287.43	5.16	-40.35
COC1=CC=CC=C1C(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004600656	0	33	-1.0	-47.43	268.24	5.57	-41.86
COC1=CC=CC=C1C(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004600656	1	33	-1.0	-47.46	268.15	5.59	-41.87
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004600657	0	30	-1.0	-42.11	280.60	6.79	-35.32
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004600657	1	30	-1.0	-42.21	280.50	6.80	-35.41
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=N[N-]N=N1	REAL250004600658	0	23	-1.0	-43.41	243.11	5.42	-37.99
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=NN=N[N-]1	REAL250004600658	1	23	-1.0	-43.47	243.01	5.43	-38.04
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600659	0	28	-1.0	-57.44	265.67	-0.55	-57.99
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600659	1	28	-1.0	-57.37	265.77	-0.56	-57.93
COC1=CC=C(C(=O)CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600660	0	32	-1.0	-43.90	283.06	4.41	-39.49
COC1=CC=C(C(=O)CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600660	1	32	-1.0	-43.96	282.97	4.43	-39.53
COC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004600661	0	30	-1.0	-50.44	276.56	5.07	-45.37
COC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004600661	1	30	-1.0	-50.57	276.46	5.08	-45.49
CC(C)C1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600662	0	36	-1.0	-43.40	302.21	6.03	-37.37
CC(C)C1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600662	1	36	-1.0	-43.46	302.12	6.05	-37.41
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CS1	REAL250004600663	0	17	-1.0	-42.26	201.01	3.43	-38.83
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CS1	REAL250004600663	1	17	-1.0	-42.25	201.11	3.41	-38.84
CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600664	0	39	-1.0	-54.88	306.47	5.62	-49.26
CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004600664	1	39	-1.0	-54.94	306.38	5.63	-49.31
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL250004600665	0	33	-1.0	-45.59	271.18	2.64	-42.95
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCOCC2)C=C1	REAL250004600665	1	33	-1.0	-45.53	271.28	2.64	-42.89
COC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600666	0	33	-1.0	-47.61	284.55	5.36	-42.25
COC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600666	1	33	-1.0	-47.66	284.45	5.38	-42.28
C=CCN1C(=O)C(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004600667	0	28	-1.0	-47.68	271.72	2.33	-45.35
C=CCN1C(=O)C(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004600667	1	28	-1.0	-47.74	271.63	2.34	-45.40
CC(C)C(C(=O)NC1=N[N-]N=N1)N1CCCC1=O	REAL250004600668	0	33	-1.0	-56.76	267.76	5.68	-51.08
CC(C)C(C(=O)NC1=NN=N[N-]1)N1CCCC1=O	REAL250004600668	1	33	-1.0	-56.83	267.67	5.68	-51.15
COC1=CC(Cl)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600669	0	24	-1.0	-46.47	231.44	4.83	-41.64
COC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600669	1	24	-1.0	-46.39	231.54	4.81	-41.58
CCN(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004600670	0	37	-1.0	-46.42	292.62	6.36	-40.06
CCN(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004600670	1	37	-1.0	-46.31	292.80	6.36	-39.95
CCS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600671	0	31	-1.0	-49.35	277.26	1.76	-47.59
CCS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600671	1	31	-1.0	-49.28	277.35	1.75	-47.53
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL250004600672	0	25	-1.0	-49.27	238.11	5.67	-43.60
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2C=NC=N2)=C1	REAL250004600672	1	25	-1.0	-49.23	238.20	5.65	-43.58
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1CCOCC1	REAL250004600673	0	33	-1.0	-47.69	272.73	3.95	-43.74
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1CCOCC1	REAL250004600673	1	33	-1.0	-47.62	272.83	3.94	-43.68
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1N1CCOCC1	REAL250004600674	0	32	-1.0	-47.22	270.44	2.97	-44.25
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1N1CCOCC1	REAL250004600674	1	32	-1.0	-47.14	270.54	2.97	-44.17
O=C(CC1C(=O)NC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004600675	0	28	-1.0	-54.03	248.77	4.19	-49.84
O=C(CC1C(=O)NC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004600675	1	28	-1.0	-54.13	248.68	4.19	-49.94
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL250004600676	0	27	-1.0	-51.64	261.16	5.66	-45.98
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL250004600676	1	27	-1.0	-51.55	261.26	5.66	-45.89
COC1=CC=C(Cl)C=C1NCC(=O)NC1=N[N-]N=N1	REAL250004600677	0	29	-1.0	-44.09	270.15	2.70	-41.39
COC1=CC=C(Cl)C=C1NCC(=O)NC1=NN=N[N-]1	REAL250004600677	1	29	-1.0	-44.16	270.06	2.71	-41.45
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004600678	0	34	-1.0	-47.28	295.46	6.88	-40.40
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004600678	1	34	-1.0	-47.19	295.56	6.87	-40.32
CCN(CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004600679	1	34	-1.0	-42.85	281.72	2.90	-39.95
CCN(CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600679	1	34	-1.0	-42.91	281.61	2.92	-39.99
CN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004600680	0	28	-1.0	-44.26	248.24	3.35	-40.91
CN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004600680	1	28	-1.0	-44.20	248.34	3.35	-40.85
O=C(CCCOC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004600681	0	30	-1.0	-49.87	279.54	5.43	-44.44
O=C(CCCOC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004600681	1	30	-1.0	-49.95	279.45	5.44	-44.51
CC(C)C1=NC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004600682	0	27	-1.0	-40.76	255.82	3.56	-37.20
CC(C)C1=NC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004600682	1	27	-1.0	-40.81	255.73	3.56	-37.25
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CO2)NC1=O	REAL250004600683	0	27	-1.0	-55.14	249.27	2.75	-52.39
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CO2)NC1=O	REAL250004600683	1	27	-1.0	-55.04	249.37	2.74	-52.30
O=C(CCCOCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004600684	0	33	-1.0	-48.26	289.07	5.34	-42.92
O=C(CCCOCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004600684	1	33	-1.0	-48.38	288.97	5.35	-43.03
CCCN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600685	0	34	-1.0	-46.61	281.73	5.93	-40.68
CCCN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600685	1	34	-1.0	-46.51	281.84	5.92	-40.59
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=N[N-]N=N1	REAL250004600686	0	25	-1.0	-53.55	243.15	4.97	-48.58
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=NN=N[N-]1	REAL250004600686	1	25	-1.0	-53.65	243.06	4.98	-48.67
CCCN(CC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600688	0	36	-1.0	-45.21	301.12	6.30	-38.91
CCCN(CC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600688	1	36	-1.0	-45.32	301.01	6.30	-39.02
COC1=CC=CC2=C1OCC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004600689	0	30	-1.0	-46.95	262.66	4.15	-42.80
COC1=CC=CC2=C1OCC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004600689	1	30	-1.0	-47.03	262.56	4.15	-42.88
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL250004600690	0	27	-1.0	-45.61	259.97	6.49	-39.12
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL250004600690	1	27	-1.0	-45.54	260.07	6.48	-39.06
CC1=NN(CC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C(C)=C1	REAL250004600691	0	36	-1.0	-46.47	312.50	6.50	-39.97
CC1=NN(CC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C(C)=C1	REAL250004600691	1	36	-1.0	-46.39	312.59	6.49	-39.90
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004600692	0	37	-1.0	-49.65	312.80	8.82	-40.83
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004600692	1	37	-1.0	-49.57	312.89	8.81	-40.76
NS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004600693	0	22	-1.0	-46.43	235.63	-2.18	-48.61
NS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004600693	1	22	-1.0	-46.33	235.73	-2.19	-48.52
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NC1=N[N-]N=N1	REAL250004600694	0	29	-1.0	-49.17	273.41	6.60	-42.57
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NC1=NN=N[N-]1	REAL250004600694	1	29	-1.0	-49.27	273.32	6.61	-42.66
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(S(N)(=O)=O)S1	REAL250004600695	0	25	-1.0	-47.60	251.87	-1.48	-49.08
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(S(N)(=O)=O)S1	REAL250004600695	1	25	-1.0	-47.57	251.97	-1.49	-49.06
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL250004600696	0	24	-1.0	-45.25	233.06	3.74	-41.51
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL250004600696	1	24	-1.0	-45.15	233.16	3.73	-41.42
COC1=CC(C2(C(=O)NC3=N[N-]N=N3)CCC2)=CC=C1C	REAL250004600697	0	37	-1.0	-44.88	305.57	6.11	-38.77
COC1=CC(C2(C(=O)NC3=NN=N[N-]3)CCC2)=CC=C1C	REAL250004600697	1	37	-1.0	-44.91	305.48	6.12	-38.79
O=C(CC1=CNC2=CC(F)=CC=C12)NC1=NN=N[N-]1	REAL250004600698	0	27	-1.0	-47.88	250.38	4.61	-43.27
O=C(CC1=CNC2=CC(F)=CC=C12)NC1=N[N-]N=N1	REAL250004600698	1	27	-1.0	-47.83	250.47	4.59	-43.24
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004600699	0	26	-1.0	-42.36	242.86	4.55	-37.81
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004600699	1	26	-1.0	-42.29	242.96	4.52	-37.77
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL250004600701	0	30	-1.0	-48.36	267.91	4.80	-43.56
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL250004600701	1	30	-1.0	-48.23	268.05	4.79	-43.44
CC1=C(C(=O)NC2=NN=N[N-]2)NC(C2=CC=CC=C2)=N1	REAL250004600701	1	30	-1.0	-43.50	267.18	4.86	-38.64
CC1=C(C(=O)NC2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL250004600701	1	30	-1.0	-43.44	267.28	4.85	-38.59
CC(OC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004600702	0	27	-1.0	-47.37	251.19	5.01	-42.36
CC(OC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004600702	1	27	-1.0	-47.41	251.10	5.03	-42.38
O=C(NC1=NN=N[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL250004600703	0	30	-1.0	-45.11	265.27	5.12	-39.99
O=C(NC1=N[N-]N=N1)C1=CC=CN1CC1=CC=NC=C1	REAL250004600703	1	30	-1.0	-45.04	265.37	5.11	-39.93
COCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600705	0	33	-1.0	-43.01	291.54	1.33	-41.68
COCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600705	1	33	-1.0	-42.93	291.64	1.33	-41.60
CC1(C(=O)NC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004600706	0	33	-1.0	-44.54	259.08	6.59	-37.95
CC1(C(=O)NC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004600706	1	33	-1.0	-44.48	259.17	6.58	-37.90
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600707	0	29	-1.0	-44.00	260.27	4.44	-39.56
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600707	1	29	-1.0	-43.91	260.37	4.44	-39.47
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600708	0	29	-1.0	-44.45	266.19	5.22	-39.23
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600708	1	29	-1.0	-44.33	266.29	5.22	-39.11
CC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=C1	REAL250004600709	0	30	-1.0	-49.20	265.34	5.20	-44.00
CC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=C1	REAL250004600709	1	30	-1.0	-49.15	265.43	5.19	-43.96
O=C(NC1=N[N-]N=N1)C1CCCCC1C(=O)N1CCCC1	REAL250004600710	0	40	-1.0	-52.09	313.99	5.15	-46.94
O=C(NC1=NN=N[N-]1)C1CCCCC1C(=O)N1CCCC1	REAL250004600710	1	40	-1.0	-52.20	313.89	5.17	-47.03
O=C(CCN1C=CNC(=O)C1=O)NC1=N[N-]N=N1	REAL250004600711	0	26	-1.0	-56.57	243.01	1.53	-55.04
O=C(CCN1C=CNC(=O)C1=O)NC1=NN=N[N-]1	REAL250004600711	1	26	-1.0	-56.60	242.92	1.54	-55.06
CCC(C)C(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004600712	0	39	-1.0	-51.09	306.58	4.78	-46.31
CCC(C)C(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004600712	1	39	-1.0	-51.12	306.48	4.80	-46.32
O=C(CCNC(=O)C1CCCCC1)NC1=N[N-]N=N1	REAL250004600713	0	36	-1.0	-52.44	294.41	3.18	-49.26
O=C(CCNC(=O)C1CCCCC1)NC1=NN=N[N-]1	REAL250004600713	1	36	-1.0	-52.57	294.32	3.20	-49.37
CS(=O)(=O)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600714	0	26	-1.0	-57.19	257.16	0.18	-57.01
CS(=O)(=O)CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004600714	1	26	-1.0	-57.13	257.27	0.15	-56.98
CCC1=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600715	0	25	-1.0	-51.11	243.60	2.40	-48.71
CCC1=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600715	1	25	-1.0	-51.03	243.69	2.38	-48.65
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL250004600716	0	26	-1.0	-49.25	238.17	6.78	-42.47
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=NN=C2)C=C1	REAL250004600716	1	26	-1.0	-49.18	238.27	6.77	-42.41
CC(C(=O)NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL250004600717	0	26	-1.0	-43.96	249.55	5.70	-38.26
CC(C(=O)NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL250004600717	1	26	-1.0	-44.03	249.45	5.72	-38.31
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004600718	0	39	-1.0	-46.33	289.79	7.41	-38.92
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004600718	1	39	-1.0	-46.38	289.71	7.43	-38.95
CCN(CC)C(=O)CCCC(=O)NC1=N[N-]N=N1	REAL250004600719	0	35	-1.0	-55.88	292.79	4.47	-51.41
CCN(CC)C(=O)CCCC(=O)NC1=NN=N[N-]1	REAL250004600719	1	35	-1.0	-55.95	292.69	4.48	-51.47
O=C(CNC(=O)CC1CCCC1)NC1=N[N-]N=N1	REAL250004600720	0	33	-1.0	-41.47	274.30	2.61	-38.86
O=C(CNC(=O)CC1CCCC1)NC1=NN=N[N-]1	REAL250004600720	1	33	-1.0	-41.52	274.21	2.62	-38.90
CC(C)COC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600721	0	40	-1.0	-48.20	324.62	5.07	-43.13
CC(C)COC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600721	1	40	-1.0	-48.23	324.52	5.10	-43.13
CC(=O)N(CCC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004600722	0	36	-1.0	-44.86	308.85	5.86	-39.00
CC(=O)N(CCC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004600722	1	36	-1.0	-44.92	308.76	5.88	-39.04
CC(=O)C1CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004600723	0	34	-1.0	-47.49	300.03	4.96	-42.53
CC(=O)C1CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004600723	1	34	-1.0	-47.58	299.94	4.96	-42.62
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OCC1CC1	REAL250004600724	0	31	-1.0	-51.80	268.26	6.81	-44.99
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OCC1CC1	REAL250004600724	1	31	-1.0	-51.72	268.36	6.80	-44.92
CC1=CC=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004600725	0	29	-1.0	-44.26	266.16	4.17	-40.09
CC1=CC=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004600725	1	29	-1.0	-44.17	266.26	4.16	-40.01
O=C(CC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004600726	0	23	-1.0	-44.51	233.44	5.08	-39.43
O=C(CC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004600726	1	23	-1.0	-44.61	233.35	5.10	-39.51
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CC=CO2)O1	REAL250004600727	0	29	-1.0	-53.86	271.38	1.61	-52.25
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CC=CO2)O1	REAL250004600727	1	29	-1.0	-53.79	271.47	1.59	-52.20
COC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004600728	0	34	-1.0	-45.16	283.59	5.44	-39.72
COC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004600728	1	34	-1.0	-45.22	283.50	5.45	-39.77
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004600729	0	26	-1.0	-42.97	265.46	6.24	-36.73
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004600729	1	26	-1.0	-43.07	265.37	6.26	-36.81
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL250004600730	0	33	-1.0	-43.19	296.28	4.51	-38.68
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL250004600730	1	33	-1.0	-43.09	296.38	4.51	-38.58
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL250004600731	0	24	-1.0	-47.58	246.04	2.09	-45.49
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=NC=CC=N2)S1	REAL250004600731	1	24	-1.0	-47.58	246.14	2.08	-45.50
CCN1C=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004600732	0	24	-1.0	-42.57	235.24	4.74	-37.83
CCN1C=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004600732	1	24	-1.0	-42.54	235.34	4.74	-37.80
CC1=CC=C(CCC(=O)NCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600733	0	36	-1.0	-42.40	313.92	4.46	-37.94
CC1=CC=C(CCC(=O)NCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600733	1	36	-1.0	-42.45	313.83	4.47	-37.98
CC(C(=O)NC1=N[N-]N=N1)N1C(=O)NC2(CCCC2)C1=O	REAL250004600734	0	35	-1.0	-51.27	290.73	2.68	-48.59
CC(C(=O)NC1=NN=N[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL250004600734	1	35	-1.0	-51.36	290.64	2.70	-48.66
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL250004600735	0	30	-1.0	-46.00	274.43	4.17	-41.83
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL250004600735	1	30	-1.0	-45.97	274.53	4.16	-41.81
CC1=C(CC(=O)NC2=NN=N[N-]2)N=C(C2=CSC=C2)O1	REAL250004600736	0	29	-1.0	-51.06	278.62	2.48	-48.58
CC1=C(CC(=O)NC2=N[N-]N=N2)N=C(C2=CSC=C2)O1	REAL250004600736	1	29	-1.0	-51.00	278.71	2.47	-48.53
O=C(CCC1=CC=CC(F)=C1F)NC1=N[N-]N=N1	REAL250004600737	0	26	-1.0	-46.79	245.29	5.37	-41.42
O=C(CCC1=CC=CC(F)=C1F)NC1=NN=N[N-]1	REAL250004600737	1	26	-1.0	-46.84	245.20	5.38	-41.46
COC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004600738	0	34	-1.0	-48.19	282.15	5.41	-42.78
COC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004600738	1	34	-1.0	-48.23	282.06	5.42	-42.81
CC1=NN(CCC(=O)NC2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL250004600739	0	31	-1.0	-43.25	287.00	4.24	-39.01
CC1=NN(CCC(=O)NC2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL250004600739	1	31	-1.0	-43.39	286.90	4.26	-39.13
COC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004600740	0	31	-1.0	-48.39	269.94	4.97	-43.42
COC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004600740	1	31	-1.0	-48.47	269.84	4.99	-43.48
O=C(NC1=N[N-]N=N1)C(OC1CCCC1)C1=CC=CC=C1	REAL250004600741	0	37	-1.0	-46.76	308.34	7.52	-39.24
O=C(NC1=NN=N[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL250004600741	1	37	-1.0	-46.80	308.25	7.53	-39.27
CCCCCCCCCC=CC(=O)NC1=N[N-]N=N1	REAL250004600742	0	41	-1.0	-43.99	337.27	8.33	-35.66
CCCCCCCCCC=CC(=O)NC1=NN=N[N-]1	REAL250004600742	1	41	-1.0	-44.04	337.17	8.34	-35.70
CC(C)(C)C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004600743	0	28	-1.0	-45.37	256.68	3.36	-42.01
CC(C)(C)C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004600743	1	28	-1.0	-45.31	256.78	3.35	-41.96
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL250004600744	0	30	-1.0	-43.68	258.72	2.44	-41.24
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=N1	REAL250004600744	1	30	-1.0	-43.61	258.81	2.44	-41.17
O=C(CNC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004600745	0	25	-1.0	-42.94	241.76	3.29	-39.65
O=C(CNC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004600745	1	25	-1.0	-43.04	241.67	3.30	-39.74
CC(C)(C(=O)NC1=NN=N[N-]1)N1C=C([N+](=O)[O-])C=N1	REAL250004600746	0	28	-1.0	-50.96	256.90	3.86	-47.10
CC(C)(C(=O)NC1=N[N-]N=N1)N1C=C([N+](=O)[O-])C=N1	REAL250004600746	1	28	-1.0	-50.92	256.99	3.85	-47.07
CCC(CC)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004600747	0	35	-1.0	-45.92	286.42	6.71	-39.21
CCC(CC)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004600747	1	35	-1.0	-45.99	286.33	6.73	-39.26
CC(NC(=O)CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600748	0	39	-1.0	-41.35	310.51	4.09	-37.26
CC(NC(=O)CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600748	1	39	-1.0	-41.39	310.42	4.11	-37.28
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCCCC2)=N1	REAL250004600749	0	36	-1.0	-48.33	293.74	5.36	-42.97
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCCCC2)=N1	REAL250004600749	1	36	-1.0	-48.38	293.65	5.37	-43.01
O=C(CCC1CCCC1)NCC(=O)NC1=N[N-]N=N1	REAL250004600750	0	36	-1.0	-41.44	297.71	3.40	-38.04
O=C(CCC1CCCC1)NCC(=O)NC1=NN=N[N-]1	REAL250004600750	1	36	-1.0	-41.52	297.62	3.41	-38.11
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004600751	0	30	-1.0	-46.18	266.48	5.56	-40.62
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004600751	1	30	-1.0	-46.12	266.58	5.55	-40.57
CC(C)(C)N1C=CN=C1SCC(=O)NC1=NN=N[N-]1	REAL250004600752	0	33	-1.0	-44.96	286.70	5.09	-39.87
CC(C)(C)N1C=CN=C1SCC(=O)NC1=N[N-]N=N1	REAL250004600752	1	33	-1.0	-44.89	286.80	5.09	-39.80
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004600753	0	31	-1.0	-54.37	264.96	4.68	-49.69
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004600753	1	31	-1.0	-54.32	265.05	4.67	-49.65
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL250004600754	0	33	-1.0	-51.43	294.48	6.77	-44.66
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL250004600754	1	33	-1.0	-51.39	294.58	6.77	-44.62
CC(C)(C)C1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004600755	0	31	-1.0	-46.95	278.89	3.96	-42.99
CC(C)(C)C1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004600755	1	31	-1.0	-47.04	278.79	3.98	-43.06
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL250004600756	0	22	-1.0	-36.86	224.74	4.15	-32.71
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250004600756	1	22	-1.0	-36.95	224.65	4.16	-32.79
O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=N[N-]N=N1	REAL250004600757	0	34	-1.0	-51.00	282.79	5.77	-45.23
O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=NN=N[N-]1	REAL250004600757	1	34	-1.0	-51.07	282.68	5.78	-45.29
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=N[N-]N=N1	REAL250004600758	0	25	-1.0	-50.20	244.52	3.73	-46.47
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=NN=N[N-]1	REAL250004600758	1	25	-1.0	-50.27	244.43	3.74	-46.53
O=C(NC1=NN=N[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL250004600759	0	35	-1.0	-43.76	297.49	5.88	-37.88
O=C(NC1=N[N-]N=N1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL250004600759	1	35	-1.0	-43.62	297.59	5.87	-37.75
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL250004600760	0	27	-1.0	-46.54	272.98	4.17	-42.37
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL250004600760	1	27	-1.0	-46.51	273.08	4.15	-42.36
CC1=NSC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004600761	0	24	-1.0	-40.76	234.61	2.64	-38.12
CC1=NSC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004600761	1	24	-1.0	-40.70	234.70	2.63	-38.07
COC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600762	0	24	-1.0	-46.24	236.01	4.94	-41.30
COC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600762	1	24	-1.0	-46.16	236.11	4.92	-41.24
O=C(CNC(=O)CC1CCCCC1)NC1=N[N-]N=N1	REAL250004600763	0	36	-1.0	-41.46	290.95	3.25	-38.21
O=C(CNC(=O)CC1CCCCC1)NC1=NN=N[N-]1	REAL250004600763	1	36	-1.0	-41.52	290.86	3.26	-38.26
CS(=O)(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004600764	0	29	-1.0	-43.09	248.73	1.01	-42.08
CS(=O)(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004600764	1	29	-1.0	-43.20	248.64	1.02	-42.18
CC(C)OC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004600765	0	33	-1.0	-47.00	280.25	5.38	-41.62
CC(C)OC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004600765	1	33	-1.0	-47.08	280.16	5.40	-41.68
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=N1	REAL250004600766	0	25	-1.0	-45.14	238.07	4.36	-40.78
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL250004600766	1	25	-1.0	-45.22	237.97	4.36	-40.86
CC1=CC=CN2C=C(CC(=O)NC3=N[N-]N=N3)N=C12	REAL250004600767	0	29	-1.0	-57.60	259.70	5.69	-51.91
CC1=CC=CN2C=C(CC(=O)NC3=NN=N[N-]3)N=C12	REAL250004600767	1	29	-1.0	-57.66	259.60	5.70	-51.96
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCC2)=C1	REAL250004600768	0	36	-1.0	-47.05	288.35	7.58	-39.47
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCC2)=C1	REAL250004600768	1	36	-1.0	-47.11	288.26	7.59	-39.52
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=NN=N[N-]1	REAL250004600769	0	28	-1.0	-43.84	247.53	2.92	-40.92
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=N[N-]N=N1	REAL250004600769	1	28	-1.0	-43.75	247.63	2.92	-40.83
CC(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004600770	0	39	-1.0	-43.90	314.33	8.07	-35.83
CC(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004600770	1	39	-1.0	-43.98	314.23	8.08	-35.90
COC1=CC=C(CCCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600771	0	39	-1.0	-47.39	327.54	6.93	-40.46
COC1=CC=C(CCCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600771	1	39	-1.0	-47.47	327.45	6.94	-40.53
CCSC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600772	0	26	-1.0	-41.94	246.60	4.11	-37.83
CCSC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600772	1	26	-1.0	-41.82	246.70	4.11	-37.71
CN(C)C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600773	0	30	-1.0	-47.26	257.27	3.60	-43.66
CN(C)C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600773	1	30	-1.0	-47.22	257.36	3.59	-43.63
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600774	0	42	-1.0	-39.75	326.94	3.84	-35.91
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600774	1	42	-1.0	-39.81	326.84	3.86	-35.95
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=N[N-]N=N1	REAL250004600775	0	29	-1.0	-51.12	275.15	1.17	-49.95
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=NN=N[N-]1	REAL250004600775	1	29	-1.0	-51.21	275.05	1.19	-50.02
CCCC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004600776	0	31	-1.0	-51.81	273.19	4.49	-47.32
CCCC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004600776	1	31	-1.0	-51.87	273.10	4.50	-47.37
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL250004600777	0	30	-1.0	-41.94	268.05	3.04	-38.90
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2CC2)N=C1	REAL250004600777	1	30	-1.0	-41.88	268.15	3.04	-38.84
CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600778	0	36	-1.0	-47.01	308.19	7.87	-39.14
CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600778	1	36	-1.0	-47.08	308.10	7.88	-39.20
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL250004600779	0	28	-1.0	-44.98	257.78	4.71	-40.27
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL250004600779	1	28	-1.0	-44.87	257.88	4.70	-40.17
CC(C)(C)C(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004600780	0	34	-1.0	-52.59	280.38	4.56	-48.03
CC(C)(C)C(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004600780	1	34	-1.0	-52.66	280.29	4.56	-48.10
CCCCCS(=O)(=O)CC(=O)NC1=N[N-]N=N1	REAL250004600781	0	31	-1.0	-60.35	279.62	1.74	-58.61
CCCCCS(=O)(=O)CC(=O)NC1=NN=N[N-]1	REAL250004600781	1	31	-1.0	-60.44	279.53	1.74	-58.70
CCCCC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004600782	0	34	-1.0	-51.98	294.69	5.27	-46.71
CCCCC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004600782	1	34	-1.0	-52.04	294.60	5.28	-46.76
CCC=C(C)C(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004600783	0	35	-1.0	-53.18	293.40	5.35	-47.83
CCC=C(C)C(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004600783	1	35	-1.0	-53.17	293.31	5.36	-47.81
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004600784	0	32	-1.0	-46.77	281.50	6.38	-40.39
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004600784	1	32	-1.0	-46.85	281.41	6.41	-40.44
CC(CC(=O)NC1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL250004600785	0	39	-1.0	-50.65	313.76	4.33	-46.32
CC(CC(=O)NC1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL250004600785	1	39	-1.0	-50.71	313.67	4.34	-46.37
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004600786	0	25	-1.0	-45.08	250.55	3.03	-42.05
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004600786	1	25	-1.0	-45.00	250.66	3.02	-41.98
CC(C)OC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004600787	0	34	-1.0	-46.54	291.29	5.83	-40.71
CC(C)OC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004600787	1	34	-1.0	-46.62	291.19	5.84	-40.78
CC1=CC=CC=C1C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004600788	0	29	-1.0	-45.31	274.68	5.36	-39.95
CC1=CC=CC=C1C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004600788	1	29	-1.0	-45.21	274.78	5.35	-39.86
CC(C)(C)C1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600789	0	41	-1.0	-45.98	331.25	8.38	-37.60
CC(C)(C)C1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600789	1	41	-1.0	-46.08	331.15	8.40	-37.68
CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600790	0	33	-1.0	-41.59	276.09	1.51	-40.08
CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600790	1	33	-1.0	-41.63	276.00	1.53	-40.10
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=N1	REAL250004600791	0	19	-1.0	-41.66	205.94	2.67	-38.99
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=N1	REAL250004600791	1	19	-1.0	-41.58	206.04	2.68	-38.90
CC1CC(CC(=O)NC2=N[N-]N=N2)CC(C)(C)C1	REAL250004600792	0	38	-1.0	-44.10	286.80	6.24	-37.86
CC1CC(CC(=O)NC2=NN=N[N-]2)CC(C)(C)C1	REAL250004600792	1	38	-1.0	-44.17	286.70	6.25	-37.92
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL250004600793	0	30	-1.0	-51.29	277.58	6.52	-44.77
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL250004600793	1	30	-1.0	-51.39	277.49	6.52	-44.87
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004600794	0	29	-1.0	-51.85	267.67	5.21	-46.64
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004600794	1	29	-1.0	-51.93	267.58	5.22	-46.71
NS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600795	0	28	-1.0	-52.65	266.38	-0.58	-53.23
NS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600795	1	28	-1.0	-52.76	266.29	-0.56	-53.32
CCN(CC)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004600796	1	37	-1.0	-45.49	290.22	4.46	-41.03
CCN(CC)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600796	1	37	-1.0	-45.58	290.12	4.47	-41.11
O=C(NC1=N[N-]N=N1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL250004600797	0	28	-1.0	-58.10	258.60	-2.03	-60.13
O=C(NC1=NN=N[N-]1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL250004600797	1	28	-1.0	-58.18	258.51	-2.02	-60.20
O=C(NCCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600798	0	33	-1.0	-39.69	293.76	3.73	-35.96
O=C(NCCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600798	1	33	-1.0	-39.73	293.68	3.72	-36.01
CCCN(CCC)C(=O)CCC(=O)NC1=N[N-]N=N1	REAL250004600799	0	38	-1.0	-43.42	314.29	5.20	-38.22
CCCN(CCC)C(=O)CCC(=O)NC1=NN=N[N-]1	REAL250004600799	1	38	-1.0	-43.55	314.19	5.21	-38.34
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL250004600800	0	25	-1.0	-48.00	248.26	2.42	-45.58
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL250004600800	1	25	-1.0	-47.92	248.37	2.41	-45.51
CC(C)(C)CC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004600801	0	37	-1.0	-50.61	304.89	5.47	-45.14
CC(C)(C)CC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004600801	1	37	-1.0	-50.72	304.79	5.48	-45.24
O=C(NC1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004600802	0	32	-1.0	-47.00	268.29	-0.55	-47.55
O=C(NC1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004600802	1	32	-1.0	-47.08	268.20	-0.52	-47.60
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004600803	0	27	-1.0	-43.83	257.10	6.23	-37.60
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004600803	1	27	-1.0	-43.90	257.01	6.24	-37.66
COC1=CC=CC=C1C(C)=CC(=O)NC1=NN=N[N-]1	REAL250004600804	0	31	-1.0	-45.73	270.92	5.14	-40.59
COC1=CC=CC=C1C(C)=CC(=O)NC1=N[N-]N=N1	REAL250004600804	1	31	-1.0	-45.62	271.02	5.14	-40.48
CC(CC(=O)NC1=N[N-]N=N1)NC(=O)C1CCCC1	REAL250004600805	0	36	-1.0	-51.38	295.62	3.66	-47.72
CC(CC(=O)NC1=NN=N[N-]1)NC(=O)C1CCCC1	REAL250004600805	1	36	-1.0	-51.39	295.53	3.67	-47.72
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004600806	0	28	-1.0	-44.34	270.16	5.79	-38.55
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004600806	1	28	-1.0	-44.46	270.06	5.81	-38.65
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC(C)C)=N1	REAL250004600807	0	31	-1.0	-42.02	273.38	4.29	-37.73
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC(C)C)=N1	REAL250004600807	1	31	-1.0	-42.10	273.29	4.30	-37.80
CC1(C)CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004600808	0	36	-1.0	-45.57	282.69	7.03	-38.54
CC1(C)CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004600808	1	36	-1.0	-45.62	282.60	7.05	-38.57
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=N[N-]N=N1	REAL250004600809	0	27	-1.0	-47.53	260.77	5.02	-42.51
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=NN=N[N-]1	REAL250004600809	1	27	-1.0	-47.64	260.68	5.04	-42.60
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=N2)CC1	REAL250004600810	0	37	-1.0	-43.00	298.90	5.07	-37.93
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)CC1	REAL250004600810	1	37	-1.0	-43.09	298.80	5.07	-38.02
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=C1	REAL250004600811	0	31	-1.0	-43.13	261.25	3.72	-39.41
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL250004600811	1	31	-1.0	-43.21	261.15	3.72	-39.49
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL250004600812	0	32	-1.0	-47.02	272.54	4.16	-42.86
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL250004600812	1	32	-1.0	-47.09	272.45	4.18	-42.91
O=C(CSCC1CCCCO1)NC1=N[N-]N=N1	REAL250004600813	0	31	-1.0	-47.53	271.36	3.99	-43.54
O=C(CSCC1CCCCO1)NC1=NN=N[N-]1	REAL250004600813	1	31	-1.0	-47.61	271.27	3.99	-43.62
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004600814	1	32	-1.0	-54.04	279.00	2.60	-51.44
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004600814	1	32	-1.0	-54.12	278.91	2.62	-51.50
O=C(COCC(=O)NC1=NN=N[N-]1)NCC1=CC=CN=C1	REAL250004600815	0	33	-1.0	-60.30	301.51	2.27	-58.03
O=C(COCC(=O)NC1=N[N-]N=N1)NCC1=CC=CN=C1	REAL250004600815	1	33	-1.0	-60.21	301.60	2.26	-57.95
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2CCOCC2)=C1	REAL250004600816	0	36	-1.0	-47.40	295.48	2.69	-44.71
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL250004600816	1	36	-1.0	-47.46	295.38	2.70	-44.76
CCN(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004600818	0	34	-1.0	-44.73	281.79	4.31	-40.42
CCN(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600818	1	34	-1.0	-44.78	281.69	4.31	-40.47
O=C(CC1=CSC(C2=NNC=N2)=N1)NC1=N[N-]N=N1	REAL250004600819	0	25	-1.0	-59.64	252.61	2.54	-57.10
O=C(CC1=CSC(C2=NNC=N2)=N1)NC1=NN=N[N-]1	REAL250004600819	1	25	-1.0	-59.67	252.51	2.55	-57.12
CC(=O)NCC(=O)N1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004600820	0	34	-1.0	-55.25	290.98	1.74	-53.51
CC(=O)NCC(=O)N1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004600820	1	34	-1.0	-55.33	290.89	1.75	-53.58
CC(C)COC1=NC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600821	0	32	-1.0	-50.47	275.89	4.11	-46.36
CC(C)COC1=NC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600821	1	32	-1.0	-50.38	275.99	4.12	-46.26
N#CC1=CC=C(N2CCCC2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600822	0	33	-1.0	-48.44	288.81	4.99	-43.45
N#CC1=CC=C(N2CCCC2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600822	1	33	-1.0	-48.45	288.71	5.01	-43.44
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600823	0	40	-1.0	-41.10	312.70	1.78	-39.32
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600823	1	40	-1.0	-41.18	312.61	1.80	-39.38
CCCN(CCC)C(=O)CCCC(=O)NC1=N[N-]N=N1	REAL250004600824	0	41	-1.0	-55.55	335.79	5.99	-49.56
CCCN(CCC)C(=O)CCCC(=O)NC1=NN=N[N-]1	REAL250004600824	1	41	-1.0	-55.60	335.69	6.00	-49.60
COC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600825	0	28	-1.0	-55.91	254.33	2.04	-53.87
COC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600825	1	28	-1.0	-55.86	254.43	2.01	-53.85
O=C(CCC(=O)NC1=NN=C(C2CC2)O1)NC1=N[N-]N=N1	REAL250004600826	1	32	-1.0	-50.07	292.41	-0.85	-50.92
O=C(CCC(=O)NC1=NN=C(C2CC2)O1)NC1=NN=N[N-]1	REAL250004600826	1	32	-1.0	-50.15	292.32	-0.84	-50.99
COC1=CC=CC=C1C(C)CC(=O)NC1=N[N-]N=N1	REAL250004600827	0	33	-1.0	-46.52	274.88	5.10	-41.42
COC1=CC=CC=C1C(C)CC(=O)NC1=NN=N[N-]1	REAL250004600827	1	33	-1.0	-46.59	274.79	5.11	-41.48
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004600828	0	29	-1.0	-41.94	262.81	5.89	-36.05
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004600828	1	29	-1.0	-42.00	262.72	5.90	-36.10
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL250004600829	0	24	-1.0	-49.64	244.99	0.89	-48.75
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CN=CC=N2)=N1	REAL250004600829	1	24	-1.0	-49.61	245.09	0.88	-48.73
CNC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004600830	0	24	-1.0	-40.77	234.47	2.11	-38.66
CNC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004600830	1	24	-1.0	-40.68	234.56	2.10	-38.58
NC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004600831	0	31	-1.0	-49.55	281.82	1.88	-47.67
NC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004600831	1	31	-1.0	-49.45	281.93	1.86	-47.59
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCC2)NC1=O	REAL250004600832	0	30	-1.0	-55.38	252.45	3.42	-51.96
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCC2)NC1=O	REAL250004600832	1	30	-1.0	-55.28	252.55	3.42	-51.86
O=C(CC1=COC(C2=CC=CS2)=N1)NC1=NN=N[N-]1	REAL250004600833	0	26	-1.0	-54.87	258.90	2.03	-52.84
O=C(CC1=COC(C2=CC=CS2)=N1)NC1=N[N-]N=N1	REAL250004600833	1	26	-1.0	-54.75	258.99	2.02	-52.73
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL250004600834	0	30	-1.0	-46.18	274.08	7.75	-38.43
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL250004600834	1	30	-1.0	-46.14	274.17	7.73	-38.41
CCCC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004600835	0	36	-1.0	-59.47	286.04	5.51	-53.96
CCCC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004600835	1	36	-1.0	-59.55	285.95	5.52	-54.03
O=C(NC1=N[N-]N=N1)C1CCCCN1CC1=CC=NC=C1	REAL250004600836	0	37	-1.0	-45.92	299.17	3.37	-42.55
O=C(NC1=NN=N[N-]1)C1CCCCN1CC1=CC=NC=C1	REAL250004600836	1	37	-1.0	-46.07	299.08	3.38	-42.69
O=C(CCCCCC1=CC=CS1)NC1=N[N-]N=N1	REAL250004600837	0	32	-1.0	-45.86	288.27	6.72	-39.14
O=C(CCCCCC1=CC=CS1)NC1=NN=N[N-]1	REAL250004600837	1	32	-1.0	-45.90	288.17	6.73	-39.17
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL250004600838	0	22	-1.0	-41.59	222.01	4.54	-37.05
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL250004600838	1	22	-1.0	-41.55	222.11	4.52	-37.03
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600839	0	36	-1.0	-40.85	289.73	2.04	-38.81
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600839	1	36	-1.0	-40.93	289.64	2.06	-38.87
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600840	0	39	-1.0	-40.67	311.23	2.79	-37.88
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600840	1	39	-1.0	-40.74	311.14	2.81	-37.93
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004600841	0	40	-1.0	-52.48	314.12	3.29	-49.19
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004600841	1	40	-1.0	-52.53	314.05	3.30	-49.23
CC(C)N(CCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004600842	0	42	-1.0	-46.35	333.60	5.47	-40.88
CC(C)N(CCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004600842	1	42	-1.0	-46.46	333.51	5.48	-40.98
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600843	0	39	-1.0	-40.96	312.55	3.14	-37.82
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600843	1	39	-1.0	-41.05	312.45	3.15	-37.90
CCCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600844	0	39	-1.0	-40.69	311.23	2.79	-37.90
CCCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600844	1	39	-1.0	-40.73	311.14	2.81	-37.92
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL250004600845	0	26	-1.0	-51.31	247.93	3.53	-47.78
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL250004600845	1	26	-1.0	-51.25	248.03	3.52	-47.73
CN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004600846	0	33	-1.0	-50.03	277.53	3.50	-46.53
CN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004600846	1	33	-1.0	-50.09	277.44	3.51	-46.58
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004600847	0	42	-1.0	-40.02	323.22	3.49	-36.53
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004600847	1	42	-1.0	-40.09	323.13	3.50	-36.59
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004600848	0	34	-1.0	-52.85	301.92	5.38	-47.47
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004600848	1	34	-1.0	-52.77	302.02	5.37	-47.40
COC(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600849	0	32	-1.0	-46.06	288.35	5.94	-40.12
COC(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600849	1	32	-1.0	-46.17	288.26	5.96	-40.21
O=C(CC1OCCC2=C1SC=C2)NC1=N[N-]N=N1	REAL250004600850	0	28	-1.0	-45.92	253.86	4.53	-41.39
O=C(CC1OCCC2=C1SC=C2)NC1=NN=N[N-]1	REAL250004600850	1	28	-1.0	-45.95	253.77	4.54	-41.41
CC(C)C(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004600851	0	35	-1.0	-45.50	284.60	6.78	-38.72
CC(C)C(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600851	1	35	-1.0	-45.55	284.51	6.79	-38.76
CN(C)C(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600852	0	30	-1.0	-55.93	259.57	3.66	-52.27
CN(C)C(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600852	1	30	-1.0	-55.93	259.67	3.65	-52.28
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCOC2)S1	REAL250004600853	0	25	-1.0	-44.37	234.13	3.03	-41.34
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCOC2)S1	REAL250004600853	1	25	-1.0	-44.32	234.24	3.01	-41.31
N#CC1=CC=C(SCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600854	0	25	-1.0	-45.84	251.51	5.34	-40.50
N#CC1=CC=C(SCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600854	1	25	-1.0	-45.88	251.41	5.34	-40.54
O=CC1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600855	0	29	-1.0	-48.90	265.12	3.84	-45.06
O=CC1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600855	1	29	-1.0	-48.91	265.03	3.86	-45.05
O=CC1=CC=CC(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600856	0	29	-1.0	-45.85	265.27	3.82	-42.03
O=CC1=CC=CC(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600856	1	29	-1.0	-45.90	265.18	3.84	-42.06
COC(=O)NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600857	0	28	-1.0	-45.68	250.14	2.57	-43.11
COC(=O)NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600857	1	28	-1.0	-45.63	250.24	2.57	-43.06
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL250004600859	0	28	-1.0	-47.76	256.24	-0.51	-48.27
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL250004600859	1	28	-1.0	-47.71	256.35	-0.53	-48.24
COC1=CC=CC(SCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600860	0	28	-1.0	-46.94	260.15	4.25	-42.69
COC1=CC=CC(SCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600860	1	28	-1.0	-47.00	260.06	4.25	-42.75
CCN(CC)S(=O)(=O)CC(=O)NC1=N[N-]N=N1	REAL250004600861	0	30	-1.0	-53.99	268.95	0.53	-53.46
CCN(CC)S(=O)(=O)CC(=O)NC1=NN=N[N-]1	REAL250004600861	1	30	-1.0	-54.07	268.86	0.53	-53.54
CCS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600862	0	29	-1.0	-53.21	274.09	2.30	-50.91
CCS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600862	1	29	-1.0	-53.09	274.19	2.29	-50.80
CC(=O)NCCNC(=O)CCC(=O)NC1=N[N-]N=N1	REAL250004600863	0	33	-1.0	-49.53	294.04	-1.01	-50.54
CC(=O)NCCNC(=O)CCC(=O)NC1=NN=N[N-]1	REAL250004600863	1	33	-1.0	-49.57	293.95	-1.00	-50.57
O=C(NC1=N[N-]N=N1)C1CCCCN1CC1=CC=CN=C1	REAL250004600864	0	37	-1.0	-44.04	291.25	3.16	-40.88
O=C(NC1=NN=N[N-]1)C1CCCCN1CC1=CC=CN=C1	REAL250004600864	1	37	-1.0	-44.08	291.15	3.17	-40.91
O=C(CCC1=NC2=CC=CNC2=N1)NC1=N[N-]N=N1	REAL250004600865	0	28	-1.0	-62.91	253.66	3.46	-59.45
O=C(CCC1=NC2=CC=CNC2=N1)NC1=NN=N[N-]1	REAL250004600865	1	28	-1.0	-62.97	253.57	3.48	-59.49
CC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004600866	0	29	-1.0	-51.36	264.12	5.35	-46.01
CC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004600866	1	29	-1.0	-51.28	264.21	5.34	-45.94
O=C(CN1CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004600867	0	28	-1.0	-55.45	255.97	4.26	-51.19
O=C(CN1CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004600867	1	28	-1.0	-55.47	255.88	4.27	-51.20
O=C(CNC(=O)OCC(F)(F)F)NC1=N[N-]N=N1	REAL250004600868	0	24	-1.0	-41.71	243.08	-0.02	-41.73
O=C(CNC(=O)OCC(F)(F)F)NC1=NN=N[N-]1	REAL250004600868	1	24	-1.0	-41.78	242.99	-0.01	-41.79
CCC1=C2NC=C(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004600869	0	33	-1.0	-49.21	286.87	5.96	-43.25
CCC1=C2NC=C(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004600869	1	33	-1.0	-49.16	286.97	5.94	-43.22
O=CC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004600870	0	28	-1.0	-59.11	270.10	5.23	-53.88
O=CC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004600870	1	28	-1.0	-59.18	270.01	5.24	-53.94
O=CC1=CC=C(OC(F)(F)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600871	0	26	-1.0	-42.13	253.43	4.21	-37.92
O=CC1=CC=C(OC(F)(F)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600871	1	26	-1.0	-42.18	253.34	4.22	-37.96
CCCC1=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004600872	0	28	-1.0	-50.78	265.09	3.16	-47.62
CCCC1=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004600872	1	28	-1.0	-50.73	265.19	3.15	-47.58
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CN=C1	REAL250004600873	0	26	-1.0	-52.17	238.17	2.00	-50.17
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CN=C1	REAL250004600873	1	26	-1.0	-52.09	238.29	1.98	-50.11
CN(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004600874	0	31	-1.0	-42.64	279.94	4.01	-38.63
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004600874	1	31	-1.0	-42.72	279.85	4.02	-38.70
COC1=CC=C(CN2C=C(C(=O)NC3=NN=N[N-]3)C=N2)C=C1	REAL250004600875	0	34	-1.0	-47.51	303.38	4.74	-42.77
COC1=CC=C(CN2C=C(C(=O)NC3=N[N-]N=N3)C=N2)C=C1	REAL250004600875	1	34	-1.0	-47.45	303.47	4.73	-42.72
COC1=NC=NC(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004600876	0	26	-1.0	-48.19	244.98	-1.27	-49.46
COC1=NC=NC(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004600876	1	26	-1.0	-48.10	245.08	-1.28	-49.38
CC1OC2=C(C=CC=C2C(=O)NC2=NN=N[N-]2)NC1=O	REAL250004600877	0	29	-1.0	-50.82	256.38	2.89	-47.93
CC1OC2=C(C=CC=C2C(=O)NC2=N[N-]N=N2)NC1=O	REAL250004600877	1	29	-1.0	-50.69	256.48	2.89	-47.80
CC1=C(CC(=O)NC2=N[N-]N=N2)C(=O)N2N=CC=C2N1	REAL250004600878	0	29	-1.0	-65.80	260.34	2.68	-63.12
CC1=C(CC(=O)NC2=NN=N[N-]2)C(=O)N2N=CC=C2N1	REAL250004600878	1	29	-1.0	-65.90	260.25	2.70	-63.20
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1CC1CC1	REAL250004600879	0	34	-1.0	-48.11	285.78	6.81	-41.30
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1CC1CC1	REAL250004600879	1	34	-1.0	-48.07	285.88	6.79	-41.28
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NOC=N2)C=C1	REAL250004600880	0	25	-1.0	-47.88	237.62	2.40	-45.48
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NOC=N2)C=C1	REAL250004600880	1	25	-1.0	-47.78	237.72	2.39	-45.39
O=C(CC1=CC=CC=C1C(F)(F)F)NC1=N[N-]N=N1	REAL250004600881	0	26	-1.0	-46.26	241.24	5.15	-41.11
O=C(CC1=CC=CC=C1C(F)(F)F)NC1=NN=N[N-]1	REAL250004600881	1	26	-1.0	-46.32	241.14	5.16	-41.16
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NC1=N[N-]N=N1	REAL250004600882	0	34	-1.0	-49.72	297.04	4.50	-45.22
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NC1=NN=N[N-]1	REAL250004600882	1	34	-1.0	-49.81	296.95	4.52	-45.29
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL250004600883	0	32	-1.0	-45.43	267.64	4.20	-41.23
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC2)C(F)=C1	REAL250004600883	1	32	-1.0	-45.36	267.74	4.20	-41.16
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL250004600884	0	33	-1.0	-44.02	281.22	2.95	-41.07
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL250004600884	1	33	-1.0	-43.96	281.32	2.95	-41.01
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004600885	0	33	-1.0	-51.30	290.83	2.89	-48.41
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004600885	1	33	-1.0	-51.41	290.73	2.90	-48.51
CCN(CC)C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600886	0	36	-1.0	-47.29	299.61	5.58	-41.71
CCN(CC)C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600886	1	36	-1.0	-47.23	299.71	5.57	-41.66
CCN(C)C(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600887	0	33	-1.0	-56.30	281.38	4.68	-51.62
CCN(C)C(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600887	1	33	-1.0	-56.21	281.47	4.66	-51.55
O=C(NC1=NN=N[N-]1)C1=NNC2=CC=CC=C2C1=O	REAL250004600888	0	25	-1.0	-59.04	234.68	3.64	-55.40
O=C(NC1=N[N-]N=N1)C1=NNC2=CC=CC=C2C1=O	REAL250004600888	1	25	-1.0	-58.95	234.78	3.64	-55.31
O=C(NC1=N[N-]N=N1)C1(C(=O)NC2CC2)CCC1	REAL250004600889	0	31	-1.0	-41.05	268.45	2.44	-38.61
O=C(NC1=NN=N[N-]1)C1(C(=O)NC2CC2)CCC1	REAL250004600889	1	31	-1.0	-41.02	268.34	2.46	-38.56
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004600890	0	28	-1.0	-43.81	263.77	3.78	-40.03
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004600890	1	28	-1.0	-43.89	263.67	3.79	-40.10
O=C(NC1=NN=N[N-]1)C1=C(OC(F)F)C=CS1	REAL250004600891	0	21	-1.0	-48.53	217.42	3.34	-45.19
O=C(NC1=N[N-]N=N1)C1=C(OC(F)F)C=CS1	REAL250004600891	1	21	-1.0	-48.43	217.53	3.33	-45.10
O=C(CC1=CC=CC(OC(F)F)=C1)NC1=N[N-]N=N1	REAL250004600892	0	27	-1.0	-48.10	251.41	4.05	-44.05
O=C(CC1=CC=CC(OC(F)F)=C1)NC1=NN=N[N-]1	REAL250004600892	1	27	-1.0	-48.15	251.31	4.07	-44.08
COC1=CC=C(NC(=O)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600893	0	28	-1.0	-39.69	254.16	1.34	-38.35
COC1=CC=C(NC(=O)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600893	1	28	-1.0	-39.78	254.07	1.35	-38.43
CN1C=C(C2=NC=C(C(=O)NC3=NN=N[N-]3)S2)C=N1	REAL250004600894	0	26	-1.0	-45.97	259.02	2.52	-43.45
CN1C=C(C2=NC=C(C(=O)NC3=N[N-]N=N3)S2)C=N1	REAL250004600894	1	26	-1.0	-45.85	259.12	2.51	-43.34
O=C(NC1=N[N-]N=N1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL250004600895	0	28	-1.0	-51.34	266.52	5.29	-46.05
O=C(NC1=NN=N[N-]1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL250004600895	1	28	-1.0	-51.42	266.43	5.31	-46.11
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL250004600896	0	31	-1.0	-43.91	273.22	4.81	-39.10
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL250004600896	1	31	-1.0	-44.00	273.12	4.82	-39.18
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL250004600898	0	27	-1.0	-42.21	263.06	6.68	-35.53
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL250004600898	1	27	-1.0	-42.28	262.97	6.69	-35.59
CC(C)COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004600899	0	36	-1.0	-45.78	305.11	6.19	-39.59
CC(C)COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004600899	1	36	-1.0	-45.88	305.01	6.21	-39.67
CC(C(=O)NC1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL250004600900	0	35	-1.0	-46.58	277.52	3.95	-42.63
CC(C(=O)NC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL250004600900	1	35	-1.0	-46.65	277.42	3.96	-42.69
CS(=O)(=O)NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004600901	0	31	-1.0	-51.80	285.73	1.18	-50.62
CS(=O)(=O)NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004600901	1	31	-1.0	-51.89	285.64	1.20	-50.69
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004600902	0	40	-1.0	-55.59	311.63	5.21	-50.38
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004600902	1	40	-1.0	-55.67	311.54	5.22	-50.45
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004600903	0	40	-1.0	-55.75	311.49	5.22	-50.53
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004600903	1	40	-1.0	-55.82	311.39	5.23	-50.59
COC1=CC=CC=C1CC(C)CC(=O)NC1=N[N-]N=N1	REAL250004600904	0	36	-1.0	-46.61	292.07	6.02	-40.59
COC1=CC=CC=C1CC(C)CC(=O)NC1=NN=N[N-]1	REAL250004600904	1	36	-1.0	-46.71	291.99	6.02	-40.69
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250004600905	0	31	-1.0	-47.76	276.00	7.36	-40.40
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250004600905	1	31	-1.0	-47.70	276.10	7.35	-40.35
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CO2)S1	REAL250004600906	0	23	-1.0	-43.87	237.58	2.84	-41.03
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CO2)S1	REAL250004600906	1	23	-1.0	-43.78	237.69	2.83	-40.95
N#CCN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004600907	0	28	-1.0	-46.08	259.95	5.98	-40.10
N#CCN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004600907	1	28	-1.0	-45.98	260.06	5.97	-40.01
CC1=CC(C)=C(C)C(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600908	0	36	-1.0	-44.40	301.21	6.07	-38.33
CC1=CC(C)=C(C)C(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600908	1	36	-1.0	-44.48	301.12	6.09	-38.39
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCCCC2)N=C1	REAL250004600909	0	37	-1.0	-43.27	289.29	4.88	-38.39
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCCCC2)N=C1	REAL250004600909	1	37	-1.0	-43.35	289.19	4.88	-38.47
O=C(CC1=CC=CC=C1Br)NC1=N[N-]N=N1	REAL250004600910	0	23	-1.0	-44.89	229.79	4.95	-39.94
O=C(CC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL250004600910	1	23	-1.0	-44.97	229.70	4.97	-40.00
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004600911	0	29	-1.0	-46.49	250.54	5.67	-40.82
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004600911	1	29	-1.0	-46.54	250.45	5.68	-40.86
CC1=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004600912	0	30	-1.0	-49.48	259.14	5.00	-44.48
CC1=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004600912	1	30	-1.0	-49.43	259.24	4.99	-44.44
COC1=CC=CC=C1CC(C)=CC(=O)NC1=N[N-]N=N1	REAL250004600913	0	34	-1.0	-46.43	288.13	6.02	-40.41
COC1=CC=CC=C1CC(C)=CC(=O)NC1=NN=N[N-]1	REAL250004600913	1	34	-1.0	-46.54	288.01	6.03	-40.51
CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C(F)=C2)C=C1	REAL250004600914	0	33	-1.0	-48.94	287.43	7.97	-40.97
CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C(F)=C2)C=C1	REAL250004600914	1	33	-1.0	-48.87	287.53	7.96	-40.91
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004600915	0	35	-1.0	-46.17	310.16	4.37	-41.80
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004600915	1	35	-1.0	-46.22	310.06	4.38	-41.84
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL250004600916	0	26	-1.0	-51.11	236.07	2.23	-48.88
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1OCC(=O)N2	REAL250004600916	1	26	-1.0	-51.05	236.17	2.23	-48.82
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL250004600917	0	27	-1.0	-43.42	249.04	4.99	-38.43
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL250004600917	1	27	-1.0	-43.32	249.13	4.98	-38.34
CC1=CC=C2C(=C1)SC(C(=O)NC1=NN=N[N-]1)=C2Cl	REAL250004600918	0	26	-1.0	-44.72	260.55	6.37	-38.35
CC1=CC=C2C(=C1)SC(C(=O)NC1=N[N-]N=N1)=C2Cl	REAL250004600918	1	26	-1.0	-44.65	260.65	6.36	-38.29
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004600919	0	24	-1.0	-45.86	229.33	3.63	-42.23
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004600919	1	24	-1.0	-45.80	229.42	3.63	-42.17
COC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CCCC2)=C1	REAL250004600920	0	37	-1.0	-52.49	296.49	6.21	-46.28
COC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CCCC2)=C1	REAL250004600920	1	37	-1.0	-52.53	296.40	6.23	-46.30
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL250004600921	0	34	-1.0	-47.50	281.47	6.00	-41.50
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2CCCC2)=C1	REAL250004600921	1	34	-1.0	-47.41	281.57	5.98	-41.43
CC(C)(C)OC(=O)NCCOCC(=O)NC1=N[N-]N=N1	REAL250004600922	0	37	-1.0	-52.10	313.15	1.62	-50.48
CC(C)(C)OC(=O)NCCOCC(=O)NC1=NN=N[N-]1	REAL250004600922	1	37	-1.0	-52.16	313.06	1.63	-50.53
O=C(CN1N=CN2N=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004600923	0	25	-1.0	-53.45	240.44	2.67	-50.78
O=C(CN1N=CN2N=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004600923	1	25	-1.0	-53.54	240.35	2.68	-50.86
O=C(CC1CCC2=CC=CC=C2C1)NC1=N[N-]N=N1	REAL250004600924	0	33	-1.0	-46.88	270.29	6.87	-40.01
O=C(CC1CCC2=CC=CC=C2C1)NC1=NN=N[N-]1	REAL250004600924	1	33	-1.0	-46.99	270.20	6.88	-40.11
CC(CC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL250004600925	0	31	-1.0	-42.90	269.24	5.60	-37.30
CC(CC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL250004600925	1	31	-1.0	-42.98	269.15	5.61	-37.37
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL250004600926	0	26	-1.0	-46.92	242.88	2.21	-44.71
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)OC=N1	REAL250004600926	1	26	-1.0	-46.87	242.98	2.20	-44.67
CC(C)COC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600927	0	33	-1.0	-51.20	278.19	6.69	-44.51
CC(C)COC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600927	1	33	-1.0	-51.16	278.29	6.69	-44.47
CCOC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004600928	0	26	-1.0	-40.94	252.42	2.02	-38.92
CCOC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004600928	1	26	-1.0	-40.90	252.52	2.01	-38.89
CCCC(CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600929	0	41	-1.0	-44.20	308.28	7.17	-37.03
CCCC(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600929	1	41	-1.0	-44.24	308.18	7.18	-37.06
O=C(CC1CCCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004600930	0	33	-1.0	-43.72	266.42	6.69	-37.03
O=C(CC1CCCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004600930	1	33	-1.0	-43.85	266.33	6.70	-37.15
O=C(CC1CCC(C2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL250004600931	0	39	-1.0	-45.66	309.22	8.19	-37.47
O=C(CC1CCC(C2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL250004600931	1	39	-1.0	-45.72	309.13	8.20	-37.52
CCC(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004600932	0	35	-1.0	-44.50	273.95	7.23	-37.27
CCC(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600932	1	35	-1.0	-44.55	273.85	7.23	-37.32
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004600933	0	42	-1.0	-45.49	317.02	7.98	-37.51
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004600933	1	42	-1.0	-45.40	317.12	7.96	-37.44
CN1C=C(C(=O)NC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004600934	0	26	-1.0	-48.54	234.12	2.31	-46.23
CN1C=C(C(=O)NC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004600934	1	26	-1.0	-48.44	234.22	2.31	-46.13
CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004600935	0	27	-1.0	-47.73	260.93	5.50	-42.23
CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004600935	1	27	-1.0	-47.80	260.84	5.52	-42.28
CN1C(=O)C(=O)N(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004600936	0	24	-1.0	-48.45	236.88	0.78	-47.67
CN1C(=O)C(=O)N(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004600936	1	24	-1.0	-48.54	236.79	0.79	-47.75
COC1=C(OC)C=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004600937	0	32	-1.0	-44.76	279.69	2.96	-41.80
COC1=C(OC)C=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004600937	1	32	-1.0	-44.64	279.92	2.95	-41.69
O=C(CC1=CC=C(Br)S1)NC1=N[N-]N=N1	REAL250004600938	0	20	-1.0	-43.60	224.05	4.31	-39.29
O=C(CC1=CC=C(Br)S1)NC1=NN=N[N-]1	REAL250004600938	1	20	-1.0	-43.63	223.95	4.33	-39.30
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=CC=N2)=C1	REAL250004600939	0	27	-1.0	-54.91	245.79	5.01	-49.90
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=CC=N2)=C1	REAL250004600939	1	27	-1.0	-54.82	245.89	4.99	-49.83
COCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600940	0	31	-1.0	-46.53	272.29	3.32	-43.21
COCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600940	1	31	-1.0	-46.45	272.39	3.32	-43.13
CC1=CC(OC(F)F)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004600941	0	24	-1.0	-48.55	239.21	4.12	-44.43
CC1=CC(OC(F)F)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004600941	1	24	-1.0	-48.46	239.32	4.11	-44.35
CC(CSC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600942	0	30	-1.0	-43.17	269.75	6.32	-36.85
CC(CSC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600942	1	30	-1.0	-43.21	269.65	6.34	-36.87
O=C(CC1=CC=CC=C1OC(F)F)NC1=N[N-]N=N1	REAL250004600943	0	27	-1.0	-47.81	250.21	4.10	-43.71
O=C(CC1=CC=CC=C1OC(F)F)NC1=NN=N[N-]1	REAL250004600943	1	27	-1.0	-47.83	250.12	4.12	-43.71
CC1CCC(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)CC1	REAL250004600944	0	40	-1.0	-51.42	314.37	5.44	-45.98
CC1CCC(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)CC1	REAL250004600944	1	40	-1.0	-51.52	314.28	5.46	-46.06
O=C(NC1=N[N-]N=N1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL250004600945	0	30	-1.0	-45.16	280.96	2.76	-42.40
O=C(NC1=NN=N[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL250004600945	1	30	-1.0	-45.23	280.86	2.77	-42.46
O=C(NC1=NN=N[N-]1)C1=CSC(C2=COC=C2)=N1	REAL250004600946	0	23	-1.0	-45.75	237.79	2.63	-43.12
O=C(NC1=N[N-]N=N1)C1=CSC(C2=COC=C2)=N1	REAL250004600946	1	23	-1.0	-45.68	237.89	2.62	-43.06
CCCC(CC1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600947	0	38	-1.0	-44.70	295.12	6.80	-37.90
CCCC(CC1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600947	1	38	-1.0	-44.74	295.02	6.81	-37.93
CC(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL250004600948	0	42	-1.0	-47.32	327.22	8.84	-38.48
CC(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL250004600948	1	42	-1.0	-47.43	327.13	8.86	-38.57
CC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004600949	0	30	-1.0	-45.41	264.00	5.91	-39.50
CC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004600949	1	30	-1.0	-45.35	264.10	5.90	-39.45
COC1=CC=C(C=O)C(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004600950	0	30	-1.0	-58.15	271.49	4.38	-53.77
COC1=CC=C(C=O)C(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004600950	1	30	-1.0	-58.17	271.40	4.39	-53.78
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004600951	0	36	-1.0	-45.42	288.03	5.66	-39.76
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004600951	1	36	-1.0	-45.48	287.94	5.67	-39.81
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NC1=NN=N[N-]1	REAL250004600952	0	29	-1.0	-52.31	274.27	3.17	-49.14
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NC1=N[N-]N=N1	REAL250004600952	1	29	-1.0	-52.22	274.36	3.16	-49.06
CN1C=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004600953	0	29	-1.0	-49.26	262.73	3.31	-45.95
CN1C=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004600953	1	29	-1.0	-49.25	262.82	3.30	-45.95
CC(C)(CCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600954	0	38	-1.0	-44.57	307.69	7.78	-36.79
CC(C)(CCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600954	1	38	-1.0	-44.63	307.60	7.79	-36.84
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL250004600955	0	36	-1.0	-46.64	291.20	1.73	-44.91
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL250004600955	1	36	-1.0	-46.52	291.30	1.73	-44.79
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=CN(C)N=C2)=N1	REAL250004600957	0	29	-1.0	-46.56	276.09	3.13	-43.43
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=CN(C)N=C2)=N1	REAL250004600957	1	29	-1.0	-46.43	276.19	3.12	-43.31
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600958	0	41	-1.0	-41.46	317.32	3.86	-37.60
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600958	1	41	-1.0	-41.54	317.23	3.87	-37.67
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004600959	0	29	-1.0	-45.74	259.51	5.90	-39.84
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004600959	1	29	-1.0	-45.79	259.42	5.93	-39.86
CCN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004600960	0	36	-1.0	-49.70	299.34	4.53	-45.17
CCN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004600960	1	36	-1.0	-49.77	299.25	4.54	-45.23
CC(C)(C)OC(=O)N1CCOCC1C(=O)NC1=N[N-]N=N1	REAL250004600961	0	38	-1.0	-53.00	302.71	2.77	-50.23
CC(C)(C)OC(=O)N1CCOCC1C(=O)NC1=NN=N[N-]1	REAL250004600961	1	38	-1.0	-53.07	302.62	2.78	-50.29
CC1=NN=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)O1	REAL250004600962	0	28	-1.0	-47.02	260.22	0.48	-46.54
CC1=NN=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)O1	REAL250004600962	1	28	-1.0	-46.94	260.32	0.46	-46.48
COC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004600963	0	30	-1.0	-44.46	270.63	5.13	-39.33
COC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004600963	1	30	-1.0	-44.39	270.74	5.12	-39.27
CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=NN1	REAL250004600964	0	29	-1.0	-48.25	264.44	4.53	-43.72
CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=NN1	REAL250004600964	1	29	-1.0	-48.19	264.54	4.52	-43.67
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=NS1	REAL250004600965	0	26	-1.0	-41.55	252.25	5.02	-36.53
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=NS1	REAL250004600965	1	26	-1.0	-41.46	252.35	5.00	-36.46
O=C(NCC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004600966	0	27	-1.0	-39.11	257.18	2.25	-36.86
O=C(NCC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004600966	1	27	-1.0	-39.14	257.09	2.24	-36.90
CC1=C(C(=O)NC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004600967	0	29	-1.0	-42.04	265.52	2.98	-39.06
CC1=C(C(=O)NC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004600967	1	29	-1.0	-41.93	265.62	2.97	-38.96
CC(C)C(CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600968	0	41	-1.0	-45.93	305.08	6.97	-38.96
CC(C)C(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600968	1	41	-1.0	-46.00	304.97	6.98	-39.02
CCN1N=C(C)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004600969	0	26	-1.0	-42.89	253.79	3.29	-39.60
CCN1N=C(C)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004600969	1	26	-1.0	-42.98	253.69	3.32	-39.66
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)N1	REAL250004600971	0	28	-1.0	-44.90	252.49	5.16	-39.74
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)N1	REAL250004600971	1	28	-1.0	-44.82	252.59	5.15	-39.67
O=C(NC1=N[N-]N=N1)C1CC1C1=C(F)C=CC=C1F	REAL250004600972	0	27	-1.0	-47.23	248.16	5.81	-41.42
O=C(NC1=NN=N[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL250004600972	1	27	-1.0	-47.31	248.07	5.83	-41.48
CC1=NN(CCCl)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004600973	0	29	-1.0	-43.93	274.75	4.02	-39.91
CC1=NN(CCCl)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004600973	1	29	-1.0	-44.02	274.65	4.04	-39.98
CC1=CC=C(N2C=CN=C2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600974	0	30	-1.0	-50.95	263.42	6.74	-44.21
CC1=CC=C(N2C=CN=C2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600974	1	30	-1.0	-51.03	263.31	6.75	-44.28
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC1=CC=NC=C1	REAL250004600975	0	33	-1.0	-47.52	292.10	5.61	-41.91
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC1=CC=NC=C1	REAL250004600975	1	33	-1.0	-47.57	292.00	5.63	-41.94
O=C(NC1=NN=N[N-]1)C1=C(C2CCCO2)OC=N1	REAL250004600976	0	27	-1.0	-45.23	241.22	-0.48	-45.71
O=C(NC1=N[N-]N=N1)C1=C(C2CCCO2)OC=N1	REAL250004600976	1	27	-1.0	-45.15	241.32	-0.49	-45.64
CCC(CC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004600977	0	38	-1.0	-44.78	287.77	6.68	-38.10
CCC(CC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004600977	1	38	-1.0	-44.86	287.67	6.69	-38.17
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004600978	0	34	-1.0	-49.18	302.34	5.25	-43.93
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004600978	1	34	-1.0	-49.28	302.24	5.26	-44.02
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL250004600979	0	31	-1.0	-40.04	278.54	4.15	-35.89
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL250004600979	1	31	-1.0	-39.96	278.63	4.14	-35.82
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL250004600980	0	27	-1.0	-46.83	265.65	1.77	-45.06
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL250004600980	1	27	-1.0	-46.76	265.76	1.76	-45.00
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1CCC1	REAL250004600981	0	31	-1.0	-51.83	263.16	6.58	-45.25
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1CCC1	REAL250004600981	1	31	-1.0	-51.75	263.26	6.56	-45.19
O=C(CCNC(=O)C1=NC=CC=C1O)NC1=N[N-]N=N1	REAL250004600982	0	30	-1.0	-54.62	274.69	-0.23	-54.85
O=C(CCNC(=O)C1=NC=CC=C1O)NC1=NN=N[N-]1	REAL250004600982	1	30	-1.0	-54.68	274.59	-0.21	-54.89
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(Br)C=C1	REAL250004600983	0	22	-1.0	-36.81	229.30	4.24	-32.57
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(Br)C=C1	REAL250004600983	1	22	-1.0	-36.86	229.22	4.25	-32.61
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL250004600984	0	30	-1.0	-46.73	271.05	4.89	-41.84
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL250004600984	1	30	-1.0	-46.83	270.96	4.92	-41.91
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600985	0	23	-1.0	-49.69	234.91	-0.59	-50.28
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004600985	1	23	-1.0	-49.58	235.02	-0.61	-50.19
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004600986	0	30	-1.0	-43.09	264.36	5.69	-37.40
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004600986	1	30	-1.0	-43.11	264.27	5.71	-37.40
CC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1C	REAL250004600987	0	30	-1.0	-43.75	258.81	4.93	-38.82
CC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1C	REAL250004600987	1	30	-1.0	-43.66	258.92	4.91	-38.75
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC(F)=C1	REAL250004600988	0	27	-1.0	-41.44	248.32	4.44	-37.00
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC(F)=C1	REAL250004600988	1	27	-1.0	-41.38	248.42	4.43	-36.95
CC1=CC=C(N2CCCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004600989	0	35	-1.0	-49.00	284.25	6.11	-42.89
CC1=CC=C(N2CCCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004600989	1	35	-1.0	-48.96	284.36	6.11	-42.85
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CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601037	0	32	-1.0	-42.40	287.62	6.75	-35.65
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601037	1	32	-1.0	-42.50	287.53	6.78	-35.72
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CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NC1=NN=N[N-]1	REAL250004601039	1	42	-1.0	-45.31	326.59	2.96	-42.35
CC(C)CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601040	0	35	-1.0	-43.84	286.86	6.94	-36.90
CC(C)CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601040	1	35	-1.0	-43.85	286.77	6.96	-36.89
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601041	0	32	-1.0	-43.74	287.72	6.74	-37.00
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601041	1	32	-1.0	-43.80	287.62	6.77	-37.03
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CN(C)C(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601043	1	32	-1.0	-60.19	275.72	3.56	-56.63
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CC(C)C(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601051	0	35	-1.0	-43.73	280.72	7.07	-36.66
CC(C)C(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601051	1	35	-1.0	-43.82	280.63	7.09	-36.73
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1CCOCC1	REAL250004601052	0	36	-1.0	-45.71	290.39	3.69	-42.02
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O=C(CC1=CNC2=CC=C(Cl)C=C12)NC1=N[N-]N=N1	REAL250004601053	0	27	-1.0	-49.10	260.86	5.04	-44.06
O=C(CC1=CNC2=CC=C(Cl)C=C12)NC1=NN=N[N-]1	REAL250004601053	1	27	-1.0	-49.14	260.77	5.06	-44.08
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CCC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004601055	0	32	-1.0	-50.62	284.49	5.87	-44.75
CCC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004601055	1	32	-1.0	-50.59	284.59	5.87	-44.72
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CC1=CSC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=N1	REAL250004601057	0	29	-1.0	-46.30	273.64	5.29	-41.01
CC1=CSC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=N1	REAL250004601057	1	29	-1.0	-46.25	273.74	5.28	-40.97
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O=C(CN1CCN(C2=CC=CC=N2)CC1)NC1=NN=N[N-]1	REAL250004601058	1	36	-1.0	-47.37	293.76	2.21	-45.16
CN(C)C(C(=O)NC1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL250004601059	0	31	-1.0	-46.56	280.67	4.55	-42.01
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL250004601059	1	31	-1.0	-46.58	280.58	4.54	-42.04
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1=N[N-]N=N1	REAL250004601060	0	39	-1.0	-46.24	303.15	2.37	-43.87
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1=NN=N[N-]1	REAL250004601060	1	39	-1.0	-46.33	303.06	2.38	-43.95
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004601061	0	31	-1.0	-45.29	271.40	6.05	-39.24
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004601061	1	31	-1.0	-45.39	271.31	6.07	-39.32
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CC1=CC(C(=O)NC2=NN=N[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL250004601064	0	28	-1.0	-41.13	256.25	0.05	-41.08
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC2=C1C(=O)NC(=O)N2	REAL250004601064	1	28	-1.0	-41.05	256.35	0.03	-41.02
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CC1=NOC(C)=C1CC(C)C(=O)NC1=N[N-]N=N1	REAL250004601066	0	31	-1.0	-42.90	261.05	4.30	-38.60
CC1=NOC(C)=C1CC(C)C(=O)NC1=NN=N[N-]1	REAL250004601066	1	31	-1.0	-42.98	260.96	4.33	-38.65
CC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C2C=C1	REAL250004601067	0	28	-1.0	-57.67	248.08	5.21	-52.46
CC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C2C=C1	REAL250004601067	1	28	-1.0	-57.59	248.18	5.21	-52.38
CC1=CC=C(N2CCC(C(=O)NC3=N[N-]N=N3)CC2)N=C1	REAL250004601069	0	37	-1.0	-45.25	300.96	4.99	-40.26
CC1=CC=C(N2CCC(C(=O)NC3=NN=N[N-]3)CC2)N=C1	REAL250004601069	1	37	-1.0	-45.29	300.87	5.00	-40.29
CC(C)NS(=O)(=O)C1=CNC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601070	0	32	-1.0	-50.84	294.42	-0.81	-51.65
CC(C)NS(=O)(=O)C1=CNC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601070	1	32	-1.0	-50.92	294.32	-0.80	-51.72
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O=C(NC1=NN=N[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL250004601071	1	38	-1.0	-46.20	296.14	4.99	-41.21
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC=C2F)O1	REAL250004601072	0	29	-1.0	-44.93	271.63	3.18	-41.75
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC=C2F)O1	REAL250004601072	1	29	-1.0	-44.88	271.73	3.16	-41.72
CC(CCC1=CC=CC(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601073	0	32	-1.0	-46.78	277.64	6.65	-40.13
CC(CCC1=CC=CC(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601073	1	32	-1.0	-46.85	277.55	6.67	-40.18
COC(=O)C1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004601074	0	32	-1.0	-46.82	261.44	4.51	-42.31
COC(=O)C1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004601074	1	32	-1.0	-46.93	261.34	4.53	-42.40
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL250004601076	0	25	-1.0	-42.36	248.70	2.46	-39.90
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL250004601076	1	25	-1.0	-42.29	248.80	2.45	-39.84
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004601077	0	25	-1.0	-46.39	241.88	2.77	-43.62
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004601077	1	25	-1.0	-46.29	241.98	2.77	-43.52
CSC1=CC=C(OC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601078	0	31	-1.0	-46.59	278.66	5.91	-40.68
CSC1=CC=C(OC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601078	1	31	-1.0	-46.67	278.56	5.93	-40.74
CCCNC(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601079	0	33	-1.0	-56.05	286.83	3.71	-52.34
CCCNC(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601079	1	33	-1.0	-56.00	286.92	3.69	-52.31
CC1=NN=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)O1	REAL250004601080	0	28	-1.0	-54.10	260.30	0.47	-53.63
CC1=NN=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)O1	REAL250004601080	1	28	-1.0	-54.03	260.40	0.46	-53.57
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601081	0	34	-1.0	-52.69	298.20	4.51	-48.18
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601081	1	34	-1.0	-52.63	298.31	4.50	-48.13
CCC1=CC=C(C(C)CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601082	0	35	-1.0	-43.21	289.88	7.16	-36.05
CCC1=CC=C(C(C)CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601082	1	35	-1.0	-43.28	289.78	7.17	-36.11
CCC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004601083	0	35	-1.0	-43.18	288.09	7.04	-36.14
CCC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004601083	1	35	-1.0	-43.23	288.00	7.04	-36.19
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL250004601084	0	33	-1.0	-43.65	283.52	4.02	-39.63
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL250004601084	1	33	-1.0	-43.62	283.62	4.00	-39.62
O=C(NC1=NN=N[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL250004601085	0	26	-1.0	-44.88	256.22	1.92	-42.96
O=C(NC1=N[N-]N=N1)C1=CC=NC(OCC(F)(F)F)=C1	REAL250004601085	1	26	-1.0	-44.81	256.31	1.91	-42.90
COCC(=O)N[C@H](C(=O)NC1=N[N-]N=N1)C(C)C	REAL250004601086	0	33	-1.0	-42.63	275.57	1.42	-41.21
COCC(=O)N[C@H](C(=O)NC1=NN=N[N-]1)C(C)C	REAL250004601086	1	33	-1.0	-42.69	275.48	1.45	-41.24
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CCCCC1	REAL250004601088	0	33	-1.0	-44.05	268.75	6.52	-37.53
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CCCCC1	REAL250004601088	1	33	-1.0	-44.11	268.66	6.53	-37.58
CC(C)=CCSC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601089	0	34	-1.0	-48.99	296.80	7.68	-41.31
CC(C)=CCSC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601089	1	34	-1.0	-48.87	296.90	7.67	-41.20
CC1=C2NC=C(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004601090	0	30	-1.0	-49.35	265.19	5.19	-44.16
CC1=C2NC=C(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004601090	1	30	-1.0	-49.31	265.29	5.17	-44.14
O=C(NC1=NN=N[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL250004601091	0	30	-1.0	-50.43	264.41	2.63	-47.80
O=C(NC1=N[N-]N=N1)C1=CC(N2CCNC2=O)=CC=C1F	REAL250004601091	1	30	-1.0	-50.35	264.51	2.60	-47.75
CCC(=CC(=O)NC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004601092	0	33	-1.0	-42.76	281.91	7.20	-35.56
CCC(=CC(=O)NC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004601092	1	33	-1.0	-42.68	282.01	7.19	-35.49
CN1C(C(=O)NC2=NN=N[N-]2)=CC(Br)=C1C=O	REAL250004601094	0	23	-1.0	-41.76	233.50	3.42	-38.34
CN1C(C(=O)NC2=N[N-]N=N2)=CC(Br)=C1C=O	REAL250004601094	1	23	-1.0	-41.72	233.60	3.42	-38.30
O=C(NC1=N[N-]N=N1)C1CN(CC2=CC=CC=C2)CCO1	REAL250004601096	0	36	-1.0	-45.09	299.50	3.93	-41.16
O=C(NC1=NN=N[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL250004601096	1	36	-1.0	-45.14	299.41	3.94	-41.20
CC(C)CCN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004601097	0	31	-1.0	-44.32	270.61	3.03	-41.29
CC(C)CCN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004601097	1	31	-1.0	-44.32	270.71	3.02	-41.30
O=C(CCN1C(=O)CCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004601098	0	34	-1.0	-48.52	288.33	5.62	-42.90
O=C(CCN1C(=O)CCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004601098	1	34	-1.0	-48.60	288.24	5.63	-42.97
O=C(NC1=NN=N[N-]1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL250004601099	0	32	-1.0	-48.88	278.76	6.14	-42.74
O=C(NC1=N[N-]N=N1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL250004601099	1	32	-1.0	-48.82	278.85	6.12	-42.70
CC(C)CNC(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004601100	0	41	-1.0	-48.43	324.90	4.09	-44.34
CC(C)CNC(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004601100	1	41	-1.0	-48.51	324.80	4.10	-44.41
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O=C(NC1=N[N-]N=N1)C1=CC(N2CCOC2=O)=CC=C1F	REAL250004601101	1	29	-1.0	-61.63	260.72	3.94	-57.69
CC1=C2NC=C(CCC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004601102	0	33	-1.0	-46.73	286.68	5.98	-40.75
CC1=C2NC=C(CCC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004601102	1	33	-1.0	-46.76	286.59	6.00	-40.76
CN1CCN(C2=NC=C(C(=O)NC3=N[N-]N=N3)S2)CC1	REAL250004601103	0	33	-1.0	-43.45	287.87	0.92	-42.53
CN1CCN(C2=NC=C(C(=O)NC3=NN=N[N-]3)S2)CC1	REAL250004601103	1	33	-1.0	-43.50	287.76	0.93	-42.57
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL250004601104	0	37	-1.0	-51.64	296.14	7.75	-43.89
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1CCCCC1	REAL250004601104	1	37	-1.0	-51.55	296.24	7.73	-43.82
CCCCCCCCOCC(=O)NC1=N[N-]N=N1	REAL250004601105	0	38	-1.0	-46.43	315.70	6.48	-39.95
CCCCCCCCOCC(=O)NC1=NN=N[N-]1	REAL250004601105	1	38	-1.0	-46.50	315.61	6.49	-40.01
O=C(NC1=NN=N[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL250004601106	0	25	-1.0	-45.20	245.53	1.19	-44.01
O=C(NC1=N[N-]N=N1)C1=C(CCC(F)(F)F)OC=N1	REAL250004601106	1	25	-1.0	-45.16	245.63	1.16	-44.00
CCC(CC)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601107	0	35	-1.0	-47.17	269.80	6.21	-40.96
CCC(CC)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601107	1	35	-1.0	-47.10	269.89	6.20	-40.90
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL250004601108	0	20	-1.0	-40.19	214.38	4.49	-35.70
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CC1=NC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=CS1	REAL250004601110	0	29	-1.0	-53.05	271.92	5.24	-47.81
CC1=NC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=CS1	REAL250004601110	1	29	-1.0	-53.00	272.01	5.23	-47.77
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CC1=C(C)C=C2OC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004601112	0	29	-1.0	-43.26	256.89	5.42	-37.84
CC1=C(C)C=C2OC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004601112	1	29	-1.0	-43.20	256.99	5.40	-37.80
CC(CCC1=CC=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004601113	0	32	-1.0	-47.22	276.76	6.60	-40.62
CC(CCC1=CC=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004601113	1	32	-1.0	-47.26	276.67	6.63	-40.63
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004601114	0	29	-1.0	-43.18	260.90	5.82	-37.36
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004601114	1	29	-1.0	-43.28	260.81	5.84	-37.44
CC1=NOC(C(F)(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL250004601115	0	22	-1.0	-37.78	228.57	2.91	-34.87
CC1=NOC(C(F)(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL250004601115	1	22	-1.0	-37.83	228.47	2.94	-34.89
O=C(NC1=NN=N[N-]1)C1=CNC=C1C1=CC=C(F)C=C1	REAL250004601116	0	28	-1.0	-52.70	257.66	5.41	-47.29
O=C(NC1=N[N-]N=N1)C1=CNC=C1C1=CC=C(F)C=C1	REAL250004601116	1	28	-1.0	-52.57	257.76	5.38	-47.19
CCCCCCC(C)(CC)C(=O)NC1=N[N-]N=N1	REAL250004601117	0	40	-1.0	-45.12	306.72	6.79	-38.33
CCCCCCC(C)(CC)C(=O)NC1=NN=N[N-]1	REAL250004601117	1	40	-1.0	-45.15	306.63	6.80	-38.35
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004601118	0	26	-1.0	-41.24	239.50	5.10	-36.14
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004601118	1	26	-1.0	-41.30	239.41	5.13	-36.17
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004601119	0	26	-1.0	-47.21	240.76	5.14	-42.07
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004601119	1	26	-1.0	-47.26	240.67	5.16	-42.10
CC(C)(C)C(=O)N1CCOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004601120	0	37	-1.0	-49.74	292.45	3.08	-46.66
CC(C)(C)C(=O)N1CCOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004601120	1	37	-1.0	-49.82	292.35	3.08	-46.74
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004601121	0	26	-1.0	-42.83	244.81	5.52	-37.31
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004601121	1	26	-1.0	-42.88	244.72	5.54	-37.34
CCC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)O2)C=C1	REAL250004601122	0	33	-1.0	-44.01	293.97	7.01	-37.00
CCC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)C=C1	REAL250004601122	1	33	-1.0	-43.90	294.07	7.00	-36.90
CC1(C(=O)NC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL250004601123	0	33	-1.0	-43.25	265.21	6.46	-36.79
CC1(C(=O)NC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL250004601123	1	33	-1.0	-43.30	265.12	6.47	-36.83
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL250004601124	0	31	-1.0	-44.26	265.28	5.40	-38.86
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCC2)C=C1	REAL250004601124	1	31	-1.0	-44.18	265.38	5.40	-38.78
CC1=CC=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601125	0	23	-1.0	-42.28	224.77	5.09	-37.19
CC1=CC=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601125	1	23	-1.0	-42.21	224.87	5.09	-37.12
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004601126	0	35	-1.0	-46.66	288.98	7.65	-39.01
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004601126	1	35	-1.0	-46.63	289.07	7.63	-39.00
CN1C=C(C=CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004601127	0	31	-1.0	-51.33	276.76	6.78	-44.55
CN1C=C(C=CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004601127	1	31	-1.0	-51.24	276.86	6.78	-44.46
CC1=NOC(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=N1	REAL250004601128	0	28	-1.0	-54.39	255.05	3.93	-50.46
CC1=NOC(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=N1	REAL250004601128	1	28	-1.0	-54.31	255.14	3.92	-50.39
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=NO1	REAL250004601129	0	25	-1.0	-42.06	242.55	3.09	-38.97
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=NO1	REAL250004601129	1	25	-1.0	-42.00	242.65	3.07	-38.93
CC(C)(C)C(=O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004601130	0	33	-1.0	-52.47	289.95	2.84	-49.63
CC(C)(C)C(=O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004601130	1	33	-1.0	-52.35	290.05	2.83	-49.52
O=C(NC1=N[N-]N=N1)C1CCSC2=CC=CC=C21	REAL250004601131	0	28	-1.0	-44.28	248.83	5.95	-38.33
O=C(NC1=NN=N[N-]1)C1CCSC2=CC=CC=C21	REAL250004601131	1	28	-1.0	-44.32	248.74	5.97	-38.35
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NC1=N[N-]N=N1	REAL250004601132	0	30	-1.0	-53.90	276.62	5.71	-48.19
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NC1=NN=N[N-]1	REAL250004601132	1	30	-1.0	-53.95	276.53	5.72	-48.23
CCOC1=C(F)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601133	0	27	-1.0	-48.15	244.64	5.35	-42.80
CCOC1=C(F)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601133	1	27	-1.0	-48.06	244.75	5.34	-42.72
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1SC1=CC=CC=C1	REAL250004601134	0	31	-1.0	-49.09	283.52	7.90	-41.19
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1SC1=CC=CC=C1	REAL250004601134	1	31	-1.0	-49.05	283.62	7.88	-41.17
CN(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004601135	0	30	-1.0	-55.32	267.87	5.27	-50.05
CN(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004601135	1	30	-1.0	-55.42	267.77	5.28	-50.14
CN1C(C(=O)NC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL250004601136	0	31	-1.0	-46.00	263.88	6.62	-39.38
CN1C(C(=O)NC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL250004601136	1	31	-1.0	-45.90	264.01	6.61	-39.29
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL250004601137	0	29	-1.0	-48.15	256.16	7.28	-40.87
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL250004601137	1	29	-1.0	-48.03	256.26	7.27	-40.76
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601138	0	29	-1.0	-47.52	256.61	6.99	-40.53
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601138	1	29	-1.0	-47.44	256.71	6.98	-40.46
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004601139	0	34	-1.0	-44.67	290.45	2.98	-41.69
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004601139	1	34	-1.0	-44.62	290.55	2.98	-41.64
CC(C(=O)NC1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004601140	0	31	-1.0	-50.66	282.37	4.15	-46.51
CC(C(=O)NC1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004601140	1	31	-1.0	-50.76	282.28	4.17	-46.59
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL250004601141	0	32	-1.0	-44.58	279.64	6.29	-38.29
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL250004601141	1	32	-1.0	-44.51	279.74	6.29	-38.22
O=C(NC1=N[N-]N=N1)C1CC12CCC1=CC=CC=C12	REAL250004601142	0	31	-1.0	-50.77	261.90	6.67	-44.10
O=C(NC1=NN=N[N-]1)C1CC12CCC1=CC=CC=C12	REAL250004601142	1	31	-1.0	-50.82	261.81	6.68	-44.14
COCCCOC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601143	0	34	-1.0	-49.54	293.91	3.92	-45.62
COCCCOC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601143	1	34	-1.0	-49.47	294.01	3.88	-45.59
CC1=NN(C)C(C)=C1CC(C)C(=O)NC1=N[N-]N=N1	REAL250004601144	0	35	-1.0	-45.40	285.02	4.29	-41.11
CC1=NN(C)C(C)=C1CC(C)C(=O)NC1=NN=N[N-]1	REAL250004601144	1	35	-1.0	-45.46	284.92	4.32	-41.14
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL250004601145	0	35	-1.0	-45.29	289.19	4.19	-41.10
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCOCC2)C=C1	REAL250004601145	1	35	-1.0	-45.23	289.29	4.18	-41.05
O=C(NC1=N[N-]N=N1)C1=CNC(=O)C(Br)=C1	REAL250004601146	0	20	-1.0	-43.08	212.64	1.36	-41.72
O=C(NC1=NN=N[N-]1)C1=CNC(=O)C(Br)=C1	REAL250004601146	1	20	-1.0	-43.18	212.53	1.36	-41.82
CCC(CC)C(C(=O)NC1=N[N-]N=N1)N1CCOCC1	REAL250004601147	0	41	-1.0	-44.28	297.64	4.61	-39.67
CCC(CC)C(C(=O)NC1=NN=N[N-]1)N1CCOCC1	REAL250004601147	1	41	-1.0	-44.38	297.54	4.63	-39.75
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL250004601148	0	26	-1.0	-52.88	249.97	4.52	-48.36
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=CSC=N2)=C1	REAL250004601148	1	26	-1.0	-52.82	250.07	4.51	-48.31
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL250004601149	0	32	-1.0	-41.55	277.46	4.84	-36.71
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL250004601149	1	32	-1.0	-41.57	277.36	4.85	-36.72
O=C(NC1=N[N-]N=N1)C1CC12CCCC1=CC=CC=C12	REAL250004601150	0	34	-1.0	-49.95	273.99	7.42	-42.53
O=C(NC1=NN=N[N-]1)C1CC12CCCC1=CC=CC=C12	REAL250004601150	1	34	-1.0	-50.06	273.87	7.43	-42.63
CC(CC(=O)C1=CC=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004601151	0	31	-1.0	-44.79	273.67	5.79	-39.00
CC(CC(=O)C1=CC=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004601151	1	31	-1.0	-44.87	273.57	5.81	-39.06
CCCCCCC(C)(CCC)C(=O)NC1=N[N-]N=N1	REAL250004601152	0	43	-1.0	-45.33	328.22	7.55	-37.78
CCCCCCC(C)(CCC)C(=O)NC1=NN=N[N-]1	REAL250004601152	1	43	-1.0	-45.43	328.13	7.57	-37.86
COC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601153	0	24	-1.0	-44.05	246.58	5.29	-38.76
COC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601153	1	24	-1.0	-43.93	246.68	5.27	-38.66
CC(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004601154	0	32	-1.0	-42.33	280.21	6.98	-35.35
CC(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004601154	1	32	-1.0	-42.43	280.12	7.00	-35.43
CC1=C(C(=O)NC2=NN=N[N-]2)C(=S)N=C(C2CC2)N1	REAL250004601155	0	29	-1.0	-72.28	275.27	4.71	-67.57
CC1=C(C(=O)NC2=N[N-]N=N2)C(=S)N=C(C2CC2)N1	REAL250004601155	1	29	-1.0	-72.21	275.37	4.69	-67.52
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)NC(C2=CC=CO2)=N1	REAL250004601156	1	29	-1.0	-51.86	263.04	2.57	-49.29
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)NC(C2=CC=CO2)=N1	REAL250004601156	1	29	-1.0	-51.80	263.15	2.57	-49.23
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)NC(C(C)(C)C)=N1	REAL250004601157	0	34	-1.0	-50.05	280.77	3.43	-46.62
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)NC(C(C)(C)C)=N1	REAL250004601157	1	34	-1.0	-49.89	281.20	3.47	-46.42
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)NC(C(C)C)=N1	REAL250004601158	0	31	-1.0	-50.99	264.04	2.85	-48.14
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)NC(C(C)C)=N1	REAL250004601158	1	31	-1.0	-50.93	264.60	2.88	-48.05
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2O)=C1	REAL250004601159	0	28	-1.0	-47.69	260.21	1.23	-46.46
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2O)=C1	REAL250004601159	1	28	-1.0	-47.57	260.30	1.21	-46.36
CC1=CC(F)=CC2=C1NC=C(C(=O)NC1=NN=N[N-]1)C2=O	REAL250004601162	0	29	-1.0	-56.93	260.66	4.77	-52.16
CC1=CC(F)=CC2=C1NC=C(C(=O)NC1=N[N-]N=N1)C2=O	REAL250004601162	1	29	-1.0	-56.88	260.76	4.76	-52.12
COC1=CC=C(C(C)C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004601163	0	34	-1.0	-47.13	286.79	4.21	-42.92
COC1=CC=C(C(C)C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004601163	1	34	-1.0	-47.21	286.70	4.23	-42.98
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NC1=N[N-]N=N1	REAL250004601164	0	34	-1.0	-50.45	299.33	4.95	-45.50
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NC1=NN=N[N-]1	REAL250004601164	1	34	-1.0	-50.54	299.24	4.97	-45.57
CC1=CC2=C(C=C1C)OC(C(=O)NC1=N[N-]N=N1)C2	REAL250004601165	0	31	-1.0	-48.92	265.39	5.92	-43.00
CC1=CC2=C(C=C1C)OC(C(=O)NC1=NN=N[N-]1)C2	REAL250004601165	1	31	-1.0	-48.97	265.30	5.93	-43.04
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL250004601166	0	24	-1.0	-45.19	230.88	4.65	-40.54
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C=C1OC(F)F	REAL250004601166	1	24	-1.0	-45.11	230.98	4.65	-40.46
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)NC2=CC=CC=C21	REAL250004601167	0	29	-1.0	-53.87	248.69	3.72	-50.15
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)NC2=CC=CC=C21	REAL250004601167	1	29	-1.0	-53.74	248.78	3.72	-50.02
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1Br	REAL250004601168	0	20	-1.0	-48.68	217.47	4.23	-44.45
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1Br	REAL250004601168	1	20	-1.0	-48.59	217.56	4.23	-44.36
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC(F)=C1F	REAL250004601169	0	27	-1.0	-52.50	251.88	5.90	-46.60
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=CC(F)=C1F	REAL250004601169	1	27	-1.0	-52.59	251.79	5.92	-46.67
O=C(CCCCC1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004601170	0	32	-1.0	-44.26	293.27	7.37	-36.89
O=C(CCCCC1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004601170	1	32	-1.0	-44.38	293.18	7.38	-37.00
CCCOC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601171	0	36	-1.0	-44.09	306.40	6.30	-37.79
CCCOC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601171	1	36	-1.0	-44.12	306.31	6.32	-37.80
CCC(OC1=CC=CC(C)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601172	0	33	-1.0	-47.12	274.17	6.20	-40.92
CCC(OC1=CC=CC(C)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601172	1	33	-1.0	-47.22	274.08	6.22	-41.00
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004601173	0	30	-1.0	-43.16	280.62	6.78	-36.38
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004601173	1	30	-1.0	-43.27	280.53	6.79	-36.48
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1=N[N-]N=N1	REAL250004601174	0	32	-1.0	-58.04	275.97	1.81	-56.23
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1=NN=N[N-]1	REAL250004601174	1	32	-1.0	-58.11	275.88	1.82	-56.29
O=C(NC1=N[N-]N=N1)C1SCCC2=C1C=CS2	REAL250004601175	0	25	-1.0	-45.72	241.83	4.93	-40.79
O=C(NC1=NN=N[N-]1)C1SCCC2=C1C=CS2	REAL250004601175	1	25	-1.0	-45.82	241.74	4.94	-40.88
CC(CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004601176	0	36	-1.0	-51.14	298.00	2.53	-48.61
CC(CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004601176	1	36	-1.0	-51.25	297.91	2.55	-48.70
CC(C)N1C=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601177	0	27	-1.0	-42.31	254.69	5.29	-37.02
CC(C)N1C=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601177	1	27	-1.0	-42.29	254.79	5.28	-37.01
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CN1C=NC=N1	REAL250004601178	0	29	-1.0	-53.76	255.60	7.13	-46.63
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1C=NC=N1	REAL250004601178	1	29	-1.0	-53.67	255.70	7.11	-46.56
CC(C)(C)OC(=O)N(CC(=O)NC1=N[N-]N=N1)CC1CC1	REAL250004601179	0	40	-1.0	-51.53	326.87	6.00	-45.53
CC(C)(C)OC(=O)N(CC(=O)NC1=NN=N[N-]1)CC1CC1	REAL250004601179	1	40	-1.0	-51.61	326.78	6.01	-45.60
O=C(NC1=NN=N[N-]1)C1=CN(CC2=CC=CS2)N=N1	REAL250004601180	0	26	-1.0	-45.25	260.18	3.09	-42.16
O=C(NC1=N[N-]N=N1)C1=CN(CC2=CC=CS2)N=N1	REAL250004601180	1	26	-1.0	-45.21	260.28	3.08	-42.13
O=C(NC1=N[N-]N=N1)C1CCC(C2=CC=CC=C2)CC1	REAL250004601181	0	36	-1.0	-49.11	284.03	7.34	-41.77
O=C(NC1=NN=N[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL250004601181	1	36	-1.0	-49.21	283.93	7.36	-41.85
CC(CSC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004601182	0	23	-1.0	-40.82	234.01	3.90	-36.92
CC(CSC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004601182	1	23	-1.0	-40.86	233.92	3.92	-36.94
O=C(NC1=NN=N[N-]1)C1SCCC2=CC=CC=C21	REAL250004601183	0	28	-1.0	-47.38	249.42	5.77	-41.61
O=C(NC1=N[N-]N=N1)C1SCCC2=CC=CC=C21	REAL250004601183	1	28	-1.0	-47.37	249.51	5.76	-41.61
O=C(CCC1=NN=CN1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004601184	0	32	-1.0	-47.08	285.01	7.49	-39.59
O=C(CCC1=NN=CN1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004601184	1	32	-1.0	-47.13	284.92	7.51	-39.62
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=N[N-]N=N2)C1	REAL250004601185	0	37	-1.0	-49.33	307.23	3.87	-45.46
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=NN=N[N-]2)C1	REAL250004601185	1	37	-1.0	-49.31	307.14	3.88	-45.43
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004601187	0	32	-1.0	-47.53	279.82	6.52	-41.01
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004601187	1	32	-1.0	-47.59	279.72	6.53	-41.06
CN1C=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004601188	0	30	-1.0	-52.81	267.48	5.11	-47.70
CN1C=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004601188	1	30	-1.0	-52.73	267.58	5.10	-47.63
CC(C)C1=NN(C)C2=C1C=C(C(=O)NC1=NN=N[N-]1)S2	REAL250004601189	0	32	-1.0	-43.77	293.32	4.82	-38.95
CC1=CC=C2C(CCC(=O)NC3=N[N-]N=N3)=CNC2=C1	REAL250004601190	0	33	-1.0	-46.61	286.83	6.00	-40.61
CC1=CC=C2C(CCC(=O)NC3=NN=N[N-]3)=CNC2=C1	REAL250004601190	1	33	-1.0	-46.71	286.73	6.01	-40.70
CCOC(C)C1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004601191	0	29	-1.0	-44.04	271.60	2.39	-41.65
CCOC(C)C1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004601191	1	29	-1.0	-44.12	271.50	2.40	-41.72
CC(C)(C)OC(=O)N1CCCC1CC(=O)NC1=N[N-]N=N1	REAL250004601192	0	40	-1.0	-45.72	318.75	4.63	-41.09
CC(C)(C)OC(=O)N1CCCC1CC(=O)NC1=NN=N[N-]1	REAL250004601192	1	40	-1.0	-45.80	318.66	4.64	-41.16
COCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601193	0	30	-1.0	-43.94	270.00	0.74	-43.20
COCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601193	1	30	-1.0	-43.87	270.10	0.73	-43.14
CCCCCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004601194	0	49	-1.0	-43.69	388.62	10.07	-33.62
CCCCCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004601194	1	49	-1.0	-43.74	388.52	10.08	-33.66
CC1=C(Br)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601195	0	23	-1.0	-43.42	221.36	5.00	-38.42
CC1=C(Br)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601195	1	23	-1.0	-43.31	221.45	5.00	-38.31
O=C(NC1=NN=N[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL250004601196	0	33	-1.0	-48.03	296.12	5.37	-42.66
O=C(NC1=N[N-]N=N1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL250004601196	1	33	-1.0	-47.99	296.22	5.37	-42.62
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004601197	0	31	-1.0	-43.07	280.24	2.24	-40.83
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004601197	1	31	-1.0	-43.11	280.15	2.25	-40.86
CCC(OC1CCCC(C)C1)C(=O)NC1=N[N-]N=N1	REAL250004601198	0	39	-1.0	-46.50	303.68	6.33	-40.17
CCC(OC1CCCC(C)C1)C(=O)NC1=NN=N[N-]1	REAL250004601198	1	39	-1.0	-46.55	303.59	6.34	-40.21
CC(CCOC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601199	0	33	-1.0	-47.37	279.69	5.39	-41.98
CC(CCOC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601199	1	33	-1.0	-47.39	279.59	5.42	-41.97
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004601200	0	23	-1.0	-42.90	226.86	4.99	-37.91
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004601200	1	23	-1.0	-42.80	226.96	4.98	-37.82
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=CNN=C2)C1	REAL250004601201	0	28	-1.0	-45.34	250.08	1.25	-44.09
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2=CNN=C2)C1	REAL250004601201	1	28	-1.0	-45.40	249.99	1.27	-44.13
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1F	REAL250004601203	0	23	-1.0	-49.94	229.84	4.86	-45.08
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1F	REAL250004601203	1	23	-1.0	-49.88	229.93	4.85	-45.03
CC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL250004601204	0	35	-1.0	-44.44	294.61	6.87	-37.57
CC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL250004601204	1	35	-1.0	-44.42	294.70	6.87	-37.55
CC(C)(C)OC(=O)N1CC(OCC(=O)NC2=N[N-]N=N2)C1	REAL250004601205	0	38	-1.0	-59.03	321.06	3.45	-55.58
CC(C)(C)OC(=O)N1CC(OCC(=O)NC2=NN=N[N-]2)C1	REAL250004601205	1	38	-1.0	-59.07	320.96	3.46	-55.61
CN1C=CN=C1CN1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004601206	0	38	-1.0	-51.60	302.87	3.42	-48.18
CN1C=CN=C1CN1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004601206	1	38	-1.0	-51.68	302.78	3.43	-48.25
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=NC=C2)NN=C1	REAL250004601207	0	26	-1.0	-44.97	239.11	1.99	-42.98
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=NC=C2)NN=C1	REAL250004601207	1	26	-1.0	-44.83	239.19	1.97	-42.86
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=NC=C1	REAL250004601207	1	26	-1.0	-48.31	238.31	2.08	-46.23
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=NC=C1	REAL250004601207	1	26	-1.0	-48.20	238.41	2.08	-46.12
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(N)C([N+](=O)[O-])=C1	REAL250004601208	0	27	-1.0	-42.74	243.20	3.53	-39.21
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(N)C([N+](=O)[O-])=C1	REAL250004601208	1	27	-1.0	-42.62	243.30	3.53	-39.09
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL250004601209	0	33	-1.0	-47.21	294.78	6.03	-41.18
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL250004601209	1	33	-1.0	-47.28	294.68	6.04	-41.24
CC(C)(C)C1=C(C(=O)NC2=NN=N[N-]2)SC=N1	REAL250004601210	0	28	-1.0	-41.76	241.01	3.42	-38.34
CC(C)(C)C1=C(C(=O)NC2=N[N-]N=N2)SC=N1	REAL250004601210	1	28	-1.0	-41.71	241.11	3.41	-38.30
CC(C)(C)OC(=O)NC1(CC(=O)NC2=N[N-]N=N2)CCC1	REAL250004601211	0	40	-1.0	-43.86	319.83	3.46	-40.40
CC(C)(C)OC(=O)NC1(CC(=O)NC2=NN=N[N-]2)CCC1	REAL250004601211	1	40	-1.0	-43.91	319.74	3.47	-40.44
CS(=O)(=O)CC1(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004601212	0	29	-1.0	-48.63	261.72	1.14	-47.49
CS(=O)(=O)CC1(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004601212	1	29	-1.0	-48.73	261.63	1.15	-47.58
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601213	0	39	-1.0	-47.04	311.92	4.38	-42.66
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601213	1	39	-1.0	-47.13	311.83	4.40	-42.73
CC(C)OCCS(=O)(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004601214	0	34	-1.0	-50.39	305.89	-1.33	-51.72
CC(C)OCCS(=O)(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004601214	1	34	-1.0	-50.47	305.80	-1.32	-51.79
CC1=C(C2=CC=CC=C2)C=C(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004601215	0	33	-1.0	-55.98	288.97	5.15	-50.83
CC1=C(C2=CC=CC=C2)C=C(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004601215	1	33	-1.0	-55.89	289.07	5.14	-50.75
O=C(NC1=N[N-]N=N1)C1CCCN1CC1=CC=C(F)C=C1	REAL250004601216	0	35	-1.0	-45.95	288.61	4.21	-41.74
O=C(NC1=NN=N[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL250004601216	1	35	-1.0	-45.98	288.51	4.21	-41.77
COC(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)N=N1	REAL250004601217	0	25	-1.0	-55.21	244.12	1.08	-54.13
COC(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)N=N1	REAL250004601217	1	25	-1.0	-55.28	244.02	1.09	-54.19
CC(C1=CC=CC=C1)C(C)(O)C(=O)NC1=N[N-]N=N1	REAL250004601218	0	33	-1.0	-42.81	267.88	3.36	-39.45
CC(C1=CC=CC=C1)C(C)(O)C(=O)NC1=NN=N[N-]1	REAL250004601218	1	33	-1.0	-42.91	267.79	3.37	-39.54
CC1C(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N1C	REAL250004601219	0	33	-1.0	-48.32	274.56	1.53	-46.79
CC1C(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N1C	REAL250004601219	1	33	-1.0	-48.22	274.67	1.52	-46.70
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL250004601220	0	20	-1.0	-47.47	222.68	4.53	-42.94
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL250004601220	1	20	-1.0	-47.42	222.77	4.51	-42.91
O=C(CSC1=NNC(=S)S1)NC1=N[N-]N=N1	REAL250004601221	1	20	-1.0	-42.79	236.92	1.83	-40.96
O=C(CSC1=NNC(=S)S1)NC1=NN=N[N-]1	REAL250004601221	1	20	-1.0	-42.84	236.83	1.83	-41.01
O=C(CC1=COC2=CC(F)=CC=C12)NC1=N[N-]N=N1	REAL250004601222	0	26	-1.0	-46.74	246.39	4.89	-41.85
O=C(CC1=COC2=CC(F)=CC=C12)NC1=NN=N[N-]1	REAL250004601222	1	26	-1.0	-46.80	246.30	4.91	-41.89
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)N=C1	REAL250004601223	0	19	-1.0	-40.65	203.85	2.52	-38.13
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)N=C1	REAL250004601223	1	19	-1.0	-40.60	203.95	2.52	-38.08
O=C(NC1=NN=N[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL250004601224	0	20	-1.0	-43.81	216.26	3.87	-39.94
O=C(NC1=N[N-]N=N1)C1=C(F)C(F)=CC(F)=C1F	REAL250004601224	1	20	-1.0	-43.74	216.36	3.86	-39.88
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004601225	0	23	-1.0	-44.18	237.08	4.83	-39.35
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004601225	1	23	-1.0	-44.25	236.99	4.85	-39.40
CC1=NC(CCCC(=O)NC2=N[N-]N=N2)=CS1	REAL250004601226	0	28	-1.0	-49.61	261.29	3.77	-45.84
CC1=NC(CCCC(=O)NC2=NN=N[N-]2)=CS1	REAL250004601226	1	28	-1.0	-49.64	261.20	3.79	-45.85
CC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=NN1	REAL250004601227	0	23	-1.0	-45.55	234.00	1.71	-43.84
CC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=NN1	REAL250004601227	1	23	-1.0	-45.62	233.91	1.73	-43.89
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601228	0	40	-1.0	-44.62	307.66	6.11	-38.51
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601228	1	40	-1.0	-44.56	307.76	6.10	-38.46
CCC1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601229	0	35	-1.0	-45.08	286.06	6.82	-38.26
CCC1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601229	1	35	-1.0	-45.14	285.97	6.84	-38.30
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL250004601230	0	28	-1.0	-44.78	250.99	3.47	-41.31
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL250004601230	1	28	-1.0	-44.76	251.09	3.47	-41.29
O=C(NC1=N[N-]N=N1)C1CC(OCC2=CC=CC=C2)C1	REAL250004601231	0	34	-1.0	-44.37	293.49	5.75	-38.62
O=C(NC1=NN=N[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL250004601231	1	34	-1.0	-44.40	293.39	5.76	-38.64
CCC(OC1=CC=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004601232	0	30	-1.0	-51.30	259.00	5.59	-45.71
CCC(OC1=CC=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004601232	1	30	-1.0	-51.40	258.91	5.61	-45.79
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL250004601233	0	26	-1.0	-45.28	259.98	5.98	-39.30
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL250004601233	1	26	-1.0	-45.36	259.88	6.00	-39.36
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)N=C1	REAL250004601234	0	27	-1.0	-43.28	245.47	5.88	-37.40
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)N=C1	REAL250004601234	1	27	-1.0	-43.25	245.57	5.87	-37.38
CC1=CC(CCCC(=O)NC2=N[N-]N=N2)=C(C)S1	REAL250004601235	0	32	-1.0	-46.10	285.84	6.50	-39.60
CC1=CC(CCCC(=O)NC2=NN=N[N-]2)=C(C)S1	REAL250004601235	1	32	-1.0	-46.18	285.75	6.52	-39.66
CC(C(=O)NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004601236	0	32	-1.0	-46.38	273.89	7.28	-39.10
CC(C(=O)NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004601236	1	32	-1.0	-46.33	273.98	7.26	-39.07
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2O1	REAL250004601237	0	23	-1.0	-43.75	235.37	4.71	-39.04
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2O1	REAL250004601237	1	23	-1.0	-43.67	235.47	4.70	-38.97
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL250004601238	0	26	-1.0	-56.05	253.55	3.99	-52.06
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1OCC(F)(F)F	REAL250004601238	1	26	-1.0	-56.00	253.65	3.97	-52.03
CCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004601239	0	32	-1.0	-41.95	286.78	6.60	-35.35
CCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004601239	1	32	-1.0	-42.03	286.72	6.61	-35.42
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=N[N-]N=N2)C1	REAL250004601240	0	40	-1.0	-44.59	320.20	4.32	-40.27
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=NN=N[N-]2)C1	REAL250004601240	1	40	-1.0	-44.64	320.10	4.34	-40.30
CCC(C)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601241	0	33	-1.0	-44.45	277.34	5.49	-38.96
CCC(C)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601241	1	33	-1.0	-44.41	277.44	5.47	-38.94
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=N[N-]N=N1	REAL250004601242	0	30	-1.0	-51.52	263.56	1.10	-50.42
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=NN=N[N-]1	REAL250004601242	1	30	-1.0	-51.58	263.47	1.12	-50.46
CC1=CC(O)=CC(=O)N1CC(=O)NC1=N[N-]N=N1	REAL250004601243	0	27	-1.0	-54.32	243.56	0.66	-53.66
CC1=CC(O)=CC(=O)N1CC(=O)NC1=NN=N[N-]1	REAL250004601243	1	27	-1.0	-54.40	243.47	0.67	-53.73
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL250004601244	0	32	-1.0	-54.72	288.78	2.54	-52.18
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL250004601244	1	32	-1.0	-54.76	288.69	2.56	-52.20
CC1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004601245	0	25	-1.0	-50.72	240.71	6.37	-44.35
CC1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004601245	1	25	-1.0	-50.66	240.81	6.35	-44.31
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CNC(=O)NC1=O	REAL250004601246	0	23	-1.0	-52.29	225.97	0.12	-52.17
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CNC(=O)NC1=O	REAL250004601246	1	23	-1.0	-52.31	225.88	0.13	-52.18
COC1=CC=CC(C(C)CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601247	0	33	-1.0	-45.47	276.48	5.00	-40.47
COC1=CC=CC(C(C)CC(=O)NC2=NN=N[N-]2)=C1	REAL250004601247	1	33	-1.0	-45.54	276.38	5.01	-40.53
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL250004601248	0	31	-1.0	-45.25	280.78	5.42	-39.83
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL250004601248	1	31	-1.0	-45.33	280.68	5.42	-39.91
CNS(=O)(=O)C1=CSC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601249	0	25	-1.0	-48.84	257.47	-1.05	-49.89
CNS(=O)(=O)C1=CSC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601249	1	25	-1.0	-48.79	257.58	-1.07	-49.86
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL250004601250	0	28	-1.0	-43.00	263.80	5.84	-37.16
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)O1	REAL250004601250	1	28	-1.0	-42.92	263.91	5.83	-37.09
CC1=C(C(=O)NC2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL250004601251	0	28	-1.0	-44.42	241.18	4.74	-39.68
CC1=C(C(=O)NC2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL250004601251	1	28	-1.0	-44.36	241.28	4.74	-39.62
CNS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)O1	REAL250004601252	0	28	-1.0	-46.54	268.09	-1.19	-47.73
CNS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)O1	REAL250004601252	1	28	-1.0	-46.48	268.19	-1.21	-47.69
CC1=C(Br)SC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601253	0	20	-1.0	-40.53	220.64	4.14	-36.39
CC1=C(Br)SC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601253	1	20	-1.0	-40.47	220.75	4.12	-36.35
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=N[N-]N=N2)=C1	REAL250004601254	0	31	-1.0	-43.99	278.47	3.24	-40.75
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=NN=N[N-]2)=C1	REAL250004601254	1	31	-1.0	-44.04	278.37	3.25	-40.79
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL250004601255	0	32	-1.0	-44.10	291.14	4.70	-39.40
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL250004601255	1	32	-1.0	-44.02	291.23	4.68	-39.34
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)OC2=CC=CC=C21	REAL250004601256	0	28	-1.0	-51.62	247.20	5.82	-45.80
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)OC2=CC=CC=C21	REAL250004601256	1	28	-1.0	-51.53	247.30	5.82	-45.71
NC(=O)C1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601257	0	31	-1.0	-46.45	276.46	0.90	-45.55
NC(=O)C1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601257	1	31	-1.0	-46.58	276.37	0.92	-45.66
CC(CC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL250004601258	0	31	-1.0	-42.72	275.80	5.67	-37.05
CC(CC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL250004601258	1	31	-1.0	-42.80	275.71	5.69	-37.11
CC1=CC=C2NC=C(CCC(=O)NC3=N[N-]N=N3)C2=C1	REAL250004601259	0	33	-1.0	-46.78	286.83	6.00	-40.78
CC1=CC=C2NC=C(CCC(=O)NC3=NN=N[N-]3)C2=C1	REAL250004601259	1	33	-1.0	-46.85	286.73	6.02	-40.83
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL250004601260	0	24	-1.0	-44.47	241.21	5.10	-39.37
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1OC(F)F	REAL250004601260	1	24	-1.0	-44.44	241.31	5.08	-39.36
O=C(CCC1=CC=C(Br)C=C1)NC1=N[N-]N=N1	REAL250004601261	0	26	-1.0	-42.63	254.84	5.90	-36.73
O=C(CCC1=CC=C(Br)C=C1)NC1=NN=N[N-]1	REAL250004601261	1	26	-1.0	-42.72	254.75	5.92	-36.80
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004601262	0	27	-1.0	-41.47	255.39	4.02	-37.45
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004601262	1	27	-1.0	-41.50	255.30	4.04	-37.46
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004601263	0	30	-1.0	-49.09	268.81	6.06	-43.03
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004601263	1	30	-1.0	-49.12	268.71	6.08	-43.04
O=C(NC1=NN=N[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004601264	0	30	-1.0	-48.77	269.74	5.03	-43.74
O=C(NC1=N[N-]N=N1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004601264	1	30	-1.0	-48.76	269.83	5.01	-43.75
O=C(NC1=NN=N[N-]1)C1=C(Br)C=CO1	REAL250004601265	0	17	-1.0	-44.00	190.28	2.44	-41.56
O=C(NC1=N[N-]N=N1)C1=C(Br)C=CO1	REAL250004601265	1	17	-1.0	-43.94	190.38	2.42	-41.52
COCCOC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601266	0	31	-1.0	-51.32	286.93	4.98	-46.34
COCCOC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601266	1	31	-1.0	-51.25	287.03	4.96	-46.29
CC(C(=O)NC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004601267	0	29	-1.0	-50.86	259.05	6.05	-44.81
CC(C(=O)NC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004601267	1	29	-1.0	-50.92	258.96	6.07	-44.85
NC(=O)C1=CC=CC(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601268	0	31	-1.0	-48.94	276.54	0.88	-48.06
NC(=O)C1=CC=CC(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601268	1	31	-1.0	-49.02	276.45	0.90	-48.12
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004601269	0	36	-1.0	-48.30	301.91	6.08	-42.22
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004601269	1	36	-1.0	-48.37	301.82	6.10	-42.27
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL250004601270	0	29	-1.0	-44.87	270.87	0.83	-44.04
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL250004601270	1	29	-1.0	-44.70	270.88	0.80	-43.90
CC(C)C1=NN=C(CCC(=O)NC2=N[N-]N=N2)O1	REAL250004601271	0	30	-1.0	-45.20	267.96	-0.44	-45.64
CC(C)C1=NN=C(CCC(=O)NC2=NN=N[N-]2)O1	REAL250004601271	1	30	-1.0	-45.29	267.86	-0.42	-45.71
COCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601272	0	34	-1.0	-45.68	293.84	3.92	-41.76
COCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601272	1	34	-1.0	-45.57	293.94	3.92	-41.65
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL250004601273	0	40	-1.0	-51.99	304.16	8.31	-43.68
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL250004601273	1	40	-1.0	-52.12	304.08	8.33	-43.79
CSCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004601274	0	27	-1.0	-43.92	258.81	5.73	-38.19
CSCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004601274	1	27	-1.0	-43.88	258.91	5.70	-38.18
O=C(NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL250004601275	0	22	-1.0	-56.05	230.61	6.12	-49.93
O=C(NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL250004601275	1	22	-1.0	-55.98	230.71	6.10	-49.88
COC1=CC=C(C(C)CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601276	0	33	-1.0	-44.31	276.47	5.01	-39.30
COC1=CC=C(C(C)CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601276	1	33	-1.0	-44.40	276.37	5.02	-39.38
CCSC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601277	0	27	-1.0	-45.15	261.30	6.18	-38.97
CCSC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601277	1	27	-1.0	-45.05	261.40	6.17	-38.88
N#CCSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601278	0	25	-1.0	-52.96	248.40	5.42	-47.54
N#CCSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601278	1	25	-1.0	-52.89	248.50	5.40	-47.49
CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004601279	0	28	-1.0	-48.51	249.70	5.64	-42.87
CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004601279	1	28	-1.0	-48.40	249.80	5.62	-42.78
O=C(NC1=NN=N[N-]1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL250004601280	0	25	-1.0	-45.95	247.56	4.76	-41.19
O=C(NC1=N[N-]N=N1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL250004601280	1	25	-1.0	-45.85	247.66	4.75	-41.10
CC(C)(C)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601281	0	33	-1.0	-44.44	267.71	4.96	-39.48
CC(C)(C)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601281	1	33	-1.0	-44.37	267.81	4.95	-39.42
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL250004601282	0	27	-1.0	-46.75	263.98	6.60	-40.15
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL250004601282	1	27	-1.0	-46.67	264.08	6.59	-40.08
CC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)S1	REAL250004601283	0	29	-1.0	-46.25	267.15	5.94	-40.31
CC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)S1	REAL250004601283	1	29	-1.0	-46.29	267.06	5.96	-40.33
CC1=NC2=CC=CC=C2N1CC(=O)NC1=N[N-]N=N1	REAL250004601284	0	29	-1.0	-51.17	259.27	5.29	-45.88
CC1=NC2=CC=CC=C2N1CC(=O)NC1=NN=N[N-]1	REAL250004601284	1	29	-1.0	-51.25	259.18	5.30	-45.95
COC1=C2OC(C(=O)NC3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL250004601285	0	29	-1.0	-44.50	271.30	3.24	-41.26
COC1=C2OC(C(=O)NC3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL250004601285	1	29	-1.0	-44.42	271.40	3.23	-41.19
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004601286	0	27	-1.0	-42.48	258.65	6.30	-36.18
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004601286	1	27	-1.0	-42.55	258.56	6.31	-36.24
O=C(NC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL250004601287	0	30	-1.0	-46.00	275.31	4.99	-41.01
O=C(NC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL250004601287	1	30	-1.0	-45.94	275.41	5.00	-40.94
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL250004601288	0	23	-1.0	-45.52	230.67	4.88	-40.64
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1F	REAL250004601288	1	23	-1.0	-45.42	230.77	4.87	-40.55
CC(SC1=CC=CC=N1)C(=O)NC1=NN=N[N-]1	REAL250004601289	0	26	-1.0	-45.06	245.49	4.33	-40.73
CC(SC1=CC=CC=N1)C(=O)NC1=N[N-]N=N1	REAL250004601289	1	26	-1.0	-44.99	245.59	4.31	-40.68
O=C(C=CSCC1=CC=CO1)NC1=N[N-]N=N1	REAL250004601290	0	25	-1.0	-45.00	249.86	4.45	-40.55
O=C(C=CSCC1=CC=CO1)NC1=NN=N[N-]1	REAL250004601290	1	25	-1.0	-45.11	249.75	4.45	-40.66
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601291	0	27	-1.0	-45.65	255.47	4.18	-41.47
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601291	1	27	-1.0	-45.72	255.38	4.19	-41.53
COC1=CC=C(C(=O)CCC(=O)NC2=N[N-]N=N2)C=C1F	REAL250004601292	0	32	-1.0	-45.82	289.36	4.50	-41.32
COC1=CC=C(C(=O)CCC(=O)NC2=NN=N[N-]2)C=C1F	REAL250004601292	1	32	-1.0	-45.91	289.27	4.52	-41.39
CS(=O)(=O)NCC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004601293	0	28	-1.0	-55.64	272.07	-1.18	-56.82
CS(=O)(=O)NCC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004601293	1	28	-1.0	-55.61	272.17	-1.20	-56.81
CC(C)CN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004601294	0	42	-1.0	-49.16	334.88	5.88	-43.28
CC(C)CN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004601294	1	42	-1.0	-49.22	334.79	5.89	-43.33
O=C(COCC=CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004601295	0	31	-1.0	-49.26	277.76	6.09	-43.17
O=C(COCC=CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004601295	1	31	-1.0	-49.34	277.67	6.10	-43.24
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=NC=C2)=NO1	REAL250004601296	0	28	-1.0	-42.84	262.27	3.93	-38.91
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=NC=C2)=NO1	REAL250004601296	1	28	-1.0	-42.79	262.37	3.92	-38.87
CC1=NN(CC(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601297	0	26	-1.0	-49.12	250.01	3.50	-45.62
CC1=NN(CC(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601297	1	26	-1.0	-49.22	249.92	3.51	-45.71
CC1=C(S(N)(=O)=O)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004601298	0	25	-1.0	-49.66	246.61	-2.42	-52.08
CC1=C(S(N)(=O)=O)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004601298	1	25	-1.0	-49.59	246.71	-2.44	-52.03
CN1C=NC(S(=O)(=O)NCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601299	0	28	-1.0	-51.95	268.16	-0.54	-52.49
CN1C=NC(S(=O)(=O)NCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601299	1	28	-1.0	-51.91	268.25	-0.55	-52.46
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004601300	0	28	-1.0	-47.53	261.76	5.95	-41.58
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004601300	1	28	-1.0	-47.63	261.67	5.97	-41.66
O=C(NC1=N[N-]N=N1)C1=CN=C(CC2=CC=CC=C2)S1	REAL250004601301	0	29	-1.0	-43.40	278.00	5.43	-37.97
O=C(NC1=NN=N[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL250004601301	1	29	-1.0	-43.52	277.90	5.44	-38.08
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004601302	0	29	-1.0	-44.64	259.25	5.43	-39.21
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004601302	1	29	-1.0	-44.56	259.35	5.43	-39.13
N#CC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004601303	0	21	-1.0	-45.51	224.50	4.14	-41.37
N#CC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004601303	1	21	-1.0	-45.43	224.60	4.13	-41.30
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004601304	0	31	-1.0	-41.82	273.28	5.76	-36.06
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004601304	1	31	-1.0	-41.73	273.38	5.75	-35.98
CC1=CC=C(Br)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601305	0	23	-1.0	-45.46	225.08	5.10	-40.36
CC1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601305	1	23	-1.0	-45.39	225.18	5.09	-40.30
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL250004601306	0	27	-1.0	-49.88	260.02	4.35	-45.53
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL250004601306	1	27	-1.0	-49.81	260.11	4.33	-45.48
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC(Cl)=C2)NN=C1	REAL250004601306	1	27	-1.0	-42.08	260.93	4.24	-37.84
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC(Cl)=C2)NN=C1	REAL250004601306	1	27	-1.0	-42.19	260.83	4.26	-37.93
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL250004601307	0	27	-1.0	-48.36	260.99	4.34	-44.02
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC=C1Cl	REAL250004601307	1	27	-1.0	-48.30	261.10	4.34	-43.96
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC=C1F	REAL250004601308	0	27	-1.0	-49.10	252.46	3.87	-45.23
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC=C1F	REAL250004601308	1	27	-1.0	-49.02	252.56	3.87	-45.15
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL250004601309	0	23	-1.0	-40.45	232.52	4.86	-35.59
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL250004601309	1	23	-1.0	-40.40	232.62	4.85	-35.55
O=C(CCCC1=CSC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004601310	0	32	-1.0	-47.85	291.39	7.40	-40.45
O=C(CCCC1=CSC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004601310	1	32	-1.0	-47.92	291.29	7.42	-40.50
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=N2)=NO1	REAL250004601311	0	28	-1.0	-48.38	264.86	3.88	-44.50
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=N2)=NO1	REAL250004601311	1	28	-1.0	-48.35	264.95	3.86	-44.49
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004601312	0	36	-1.0	-47.79	304.99	6.28	-41.51
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004601312	1	36	-1.0	-47.87	304.90	6.30	-41.57
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004601313	0	24	-1.0	-43.51	233.38	3.61	-39.90
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL250004601313	1	24	-1.0	-43.44	233.48	3.59	-39.85
O=C(CCSC1=CC=CC=N1)NC1=NN=N[N-]1	REAL250004601314	0	26	-1.0	-47.98	250.33	4.17	-43.81
O=C(CCSC1=CC=CC=N1)NC1=N[N-]N=N1	REAL250004601314	1	26	-1.0	-47.91	250.42	4.15	-43.76
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1Br	REAL250004601315	0	19	-1.0	-42.61	199.07	2.65	-39.96
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1Br	REAL250004601315	1	19	-1.0	-42.54	199.16	2.65	-39.89
CSC1=NC(=O)NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004601316	0	26	-1.0	-44.65	253.97	0.35	-44.30
CSC1=NC(=O)NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004601316	1	26	-1.0	-44.61	254.06	0.32	-44.29
CN(C)CC1=C(C(=O)NC2=N[N-]N=N2)SC=C1	REAL250004601317	0	28	-1.0	-45.25	252.74	2.35	-42.90
CN(C)CC1=C(C(=O)NC2=NN=N[N-]2)SC=C1	REAL250004601317	1	28	-1.0	-45.36	252.63	2.36	-43.00
COC1=CC=C2OCC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004601318	0	30	-1.0	-45.38	262.83	3.59	-41.79
COC1=CC=C2OCC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004601318	1	30	-1.0	-45.43	262.73	3.59	-41.84
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2F)=C1	REAL250004601319	0	27	-1.0	-48.68	256.58	3.82	-44.86
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2F)=C1	REAL250004601319	1	27	-1.0	-48.64	256.68	3.81	-44.83
O=C(NC1=N[N-]N=N1)C12CC3CC(CC(F)(C3)C1)C2	REAL250004601320	0	34	-1.0	-43.84	258.46	5.76	-38.08
O=C(NC1=NN=N[N-]1)C12CC3CC(CC(F)(C3)C1)C2	REAL250004601320	1	34	-1.0	-43.97	258.37	5.77	-38.20
CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=NN=N[N-]1	REAL250004601321	0	30	-1.0	-39.54	262.09	3.70	-35.84
CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=N[N-]N=N1	REAL250004601321	1	30	-1.0	-39.48	263.00	3.72	-35.76
CC1=NC(CC(C)C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004601322	0	31	-1.0	-43.33	274.63	4.44	-38.89
CC1=NC(CC(C)C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004601322	1	31	-1.0	-43.39	274.53	4.45	-38.94
CC(C)CC(C(=O)NC1=N[N-]N=N1)N1CCCCC1=O	REAL250004601323	0	39	-1.0	-54.67	303.29	6.66	-48.01
CC(C)CC(C(=O)NC1=NN=N[N-]1)N1CCCCC1=O	REAL250004601323	1	39	-1.0	-54.71	303.20	6.68	-48.03
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601324	0	30	-1.0	-42.31	276.15	6.38	-35.93
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601324	1	30	-1.0	-42.38	276.06	6.40	-35.98
CCC1=NOC(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004601325	0	31	-1.0	-46.60	271.65	4.76	-41.84
CCC1=NOC(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004601325	1	31	-1.0	-46.70	271.56	4.77	-41.93
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601326	0	31	-1.0	-45.18	268.56	5.57	-39.61
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601326	1	31	-1.0	-45.21	268.47	5.59	-39.62
CN1C=C(CCC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004601327	0	33	-1.0	-46.93	287.90	7.05	-39.88
CN1C=C(CCC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004601327	1	33	-1.0	-46.99	287.81	7.07	-39.92
O=C(CCC1=CC=C2OCCC2=C1)NC1=N[N-]N=N1	REAL250004601328	0	31	-1.0	-44.89	269.44	5.13	-39.76
O=C(CCC1=CC=C2OCCC2=C1)NC1=NN=N[N-]1	REAL250004601328	1	31	-1.0	-44.93	269.35	5.14	-39.79
COC1=C(F)C=CC(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004601329	0	24	-1.0	-48.27	235.90	3.36	-44.91
COC1=C(F)C=CC(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004601329	1	24	-1.0	-48.22	236.00	3.35	-44.87
COC1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601330	0	33	-1.0	-45.68	272.65	4.68	-41.00
COC1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601330	1	33	-1.0	-45.73	272.56	4.70	-41.03
CCOCCC1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004601331	0	36	-1.0	-45.70	286.51	4.53	-41.17
CCOCCC1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004601331	1	36	-1.0	-45.75	286.41	4.54	-41.21
O=C(NC1=NN=N[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL250004601332	0	26	-1.0	-49.54	246.83	2.52	-47.02
O=C(NC1=N[N-]N=N1)C1=CN=CC(OCC(F)F)=C1	REAL250004601332	1	26	-1.0	-49.45	246.93	2.52	-46.93
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601333	0	32	-1.0	-42.69	279.88	6.63	-36.06
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601333	1	32	-1.0	-42.73	279.78	6.63	-36.10
CCC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=NN1	REAL250004601334	0	32	-1.0	-47.77	285.88	5.17	-42.60
CCC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=NN1	REAL250004601334	1	32	-1.0	-47.73	285.98	5.16	-42.57
COC(=O)C1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C)N1	REAL250004601335	0	30	-1.0	-46.91	272.01	3.24	-43.67
COC(=O)C1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C)N1	REAL250004601335	1	30	-1.0	-46.85	272.10	3.22	-43.63
O=C(C#CC1=CC=C2OCOC2=C1)NC1=N[N-]N=N1	REAL250004601336	0	25	-1.0	-43.74	245.36	3.84	-39.90
O=C(C#CC1=CC=C2OCOC2=C1)NC1=NN=N[N-]1	REAL250004601336	1	25	-1.0	-44.49	245.27	3.84	-40.65
CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004601337	0	35	-1.0	-58.67	290.35	2.62	-56.05
CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004601337	1	35	-1.0	-58.74	290.26	2.63	-56.11
CC1=C(C(=O)NC2=N[N-]N=N2)S(=O)(=O)CCO1	REAL250004601338	0	25	-1.0	-62.18	235.45	-1.13	-63.31
CC1=C(C(=O)NC2=NN=N[N-]2)S(=O)(=O)CCO1	REAL250004601338	1	25	-1.0	-62.29	235.35	-1.12	-63.41
CC1=CC=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004601339	0	32	-1.0	-44.39	278.18	6.10	-38.29
CC1=CC=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004601339	1	32	-1.0	-44.34	278.28	6.09	-38.25
COC1=CC=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004601340	0	33	-1.0	-44.90	286.23	4.73	-40.17
COC1=CC=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004601340	1	33	-1.0	-44.81	286.33	4.71	-40.10
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004601341	0	29	-1.0	-44.40	256.78	5.42	-38.98
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004601341	1	29	-1.0	-44.35	256.88	5.42	-38.93
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL250004601342	0	22	-1.0	-51.10	218.07	5.49	-45.61
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL250004601342	1	22	-1.0	-51.00	218.17	5.48	-45.52
COC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1F	REAL250004601343	0	24	-1.0	-51.78	232.97	3.06	-48.72
COC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1F	REAL250004601343	1	24	-1.0	-51.70	233.07	3.05	-48.65
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CCC1	REAL250004601344	0	33	-1.0	-48.75	277.31	6.87	-41.88
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL250004601344	1	33	-1.0	-48.79	277.21	6.90	-41.89
CCCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601345	0	33	-1.0	-46.83	285.00	5.49	-41.34
CCCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004601345	1	33	-1.0	-46.87	284.91	5.51	-41.36
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL250004601346	0	27	-1.0	-49.94	258.31	4.50	-45.44
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC(F)(F)F)=C1	REAL250004601346	1	27	-1.0	-49.84	258.41	4.48	-45.36
COCCCS(=O)(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004601347	0	31	-1.0	-53.12	285.26	-2.25	-55.37
COCCCS(=O)(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004601347	1	31	-1.0	-53.25	285.17	-2.24	-55.49
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=N[N-]N=N1	REAL250004601348	0	34	-1.0	-54.71	307.05	4.77	-49.94
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=NN=N[N-]1	REAL250004601348	1	34	-1.0	-54.81	306.95	4.78	-50.03
CC(C)(C)C(NS(C)(=O)=O)C(=O)NC1=N[N-]N=N1	REAL250004601349	0	33	-1.0	-44.79	280.71	-0.03	-44.82
CC(C)(C)C(NS(C)(=O)=O)C(=O)NC1=NN=N[N-]1	REAL250004601349	1	33	-1.0	-44.94	280.61	-0.01	-44.95
COC1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004601350	0	37	-1.0	-48.64	301.49	4.58	-44.06
COC1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004601350	1	37	-1.0	-48.72	301.40	4.61	-44.11
CC1=CC=CC(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004601351	0	32	-1.0	-44.10	278.19	6.08	-38.02
CC1=CC=CC(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004601351	1	32	-1.0	-44.10	278.29	6.08	-38.02
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004601352	0	26	-1.0	-43.38	246.69	4.49	-38.89
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004601352	1	26	-1.0	-43.32	246.79	4.48	-38.84
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004601353	0	31	-1.0	-45.30	270.67	3.30	-42.00
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004601353	1	31	-1.0	-45.25	270.77	3.30	-41.95
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL250004601354	0	24	-1.0	-48.66	242.72	3.34	-45.32
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC(OC(F)F)=C1F	REAL250004601354	1	24	-1.0	-48.61	242.82	3.33	-45.28
O=C(CSC1=NC2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004601355	0	27	-1.0	-44.82	260.02	3.90	-40.92
O=C(CSC1=NC2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004601355	1	27	-1.0	-44.76	260.11	3.89	-40.87
O=C(NC1=NN=N[N-]1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL250004601356	1	23	-1.0	-45.54	226.61	1.63	-43.91
O=C(NC1=N[N-]N=N1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL250004601356	1	23	-1.0	-45.51	226.71	1.61	-43.90
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601357	0	26	-1.0	-45.03	247.79	5.57	-39.46
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601357	1	26	-1.0	-45.11	247.70	5.59	-39.52
O=C(NC1=NN=N[N-]1)C1=CC=NC(Br)=C1	REAL250004601358	0	19	-1.0	-40.38	204.06	2.52	-37.86
O=C(NC1=N[N-]N=N1)C1=CC=NC(Br)=C1	REAL250004601358	1	19	-1.0	-40.26	204.16	2.52	-37.74
O=C(NC1=N[N-]N=N1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL250004601359	0	27	-1.0	-44.90	265.33	6.45	-38.45
O=C(NC1=NN=N[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL250004601359	1	27	-1.0	-44.95	265.24	6.46	-38.49
O=C(NC1=NN=N[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL250004601360	0	29	-1.0	-46.96	276.37	4.05	-42.91
O=C(NC1=N[N-]N=N1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL250004601360	1	29	-1.0	-46.87	276.47	4.04	-42.83
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL250004601361	0	23	-1.0	-45.50	223.96	4.92	-40.58
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C=C1C(F)(F)F	REAL250004601361	1	23	-1.0	-45.41	224.05	4.89	-40.52
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601362	0	27	-1.0	-47.88	256.02	3.23	-44.65
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601362	1	27	-1.0	-54.45	256.41	3.19	-51.26
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601363	0	27	-1.0	-49.69	255.91	3.23	-46.46
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601363	1	27	-1.0	-49.64	256.01	3.23	-46.41
O=C(NC1=NN=N[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL250004601364	0	28	-1.0	-50.04	251.69	3.07	-46.97
O=C(NC1=N[N-]N=N1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL250004601364	1	28	-1.0	-49.94	251.79	3.07	-46.87
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=N[N-]N=N1	REAL250004601365	0	34	-1.0	-43.25	290.69	3.24	-40.01
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=NN=N[N-]1	REAL250004601365	1	34	-1.0	-43.36	290.60	3.26	-40.10
O=C(CSC1=CC=C(O)C=C1)NC1=N[N-]N=N1	REAL250004601366	0	25	-1.0	-45.70	241.68	2.09	-43.61
O=C(CSC1=CC=C(O)C=C1)NC1=NN=N[N-]1	REAL250004601366	1	25	-1.0	-45.79	241.58	2.09	-43.70
O=C(CC1=CC=C(F)C=C1Cl)NC1=N[N-]N=N1	REAL250004601367	0	23	-1.0	-43.92	232.79	4.98	-38.94
O=C(CC1=CC=C(F)C=C1Cl)NC1=NN=N[N-]1	REAL250004601367	1	23	-1.0	-44.00	232.69	4.99	-39.01
CCOCCS(=O)(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004601368	0	31	-1.0	-50.54	285.62	-2.08	-52.62
CCOCCS(=O)(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004601368	1	31	-1.0	-50.59	285.53	-2.07	-52.66
CCC1=NNC(=O)C(C(=O)NC2=NN=N[N-]2)=C1CC	REAL250004601369	0	31	-1.0	-48.52	258.40	2.36	-46.16
CCC1=NNC(=O)C(C(=O)NC2=N[N-]N=N2)=C1CC	REAL250004601369	1	31	-1.0	-48.49	258.51	2.37	-46.12
O=C(CC1=CC(F)=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004601370	0	23	-1.0	-44.31	230.30	4.61	-39.70
O=C(CC1=CC(F)=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004601370	1	23	-1.0	-44.40	230.21	4.63	-39.77
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL250004601371	0	26	-1.0	-41.56	252.44	4.89	-36.67
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL250004601371	1	26	-1.0	-41.51	252.54	4.88	-36.63
COC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004601372	0	31	-1.0	-48.05	270.62	4.36	-43.69
COC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004601372	1	31	-1.0	-48.11	270.53	4.37	-43.74
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL250004601373	0	27	-1.0	-52.53	257.46	3.85	-48.68
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL250004601373	1	27	-1.0	-52.44	257.60	3.85	-48.59
O=C(NC1=NN=N[N-]1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL250004601374	0	34	-1.0	-45.57	287.60	4.88	-40.69
O=C(NC1=N[N-]N=N1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL250004601374	1	34	-1.0	-45.51	287.69	4.87	-40.64
CCC(OC1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004601375	0	36	-1.0	-46.58	282.85	5.73	-40.85
CCC(OC1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004601375	1	36	-1.0	-46.63	282.76	5.74	-40.89
CC(C)(C)OC(=O)N[C@H](C(=O)NC1=N[N-]N=N1)C(C)(C)C	REAL250004601376	0	42	-1.0	-40.60	321.97	3.92	-36.68
CC(C)(C)OC(=O)N[C@H](C(=O)NC1=NN=N[N-]1)C(C)(C)C	REAL250004601376	1	42	-1.0	-40.68	321.88	3.93	-36.75
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601377	0	42	-1.0	-40.67	331.32	3.74	-36.93
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601377	1	42	-1.0	-40.73	331.23	3.77	-36.96
O=C(CSC1=NC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004601378	0	29	-1.0	-46.15	271.97	5.59	-40.56
O=C(CSC1=NC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004601378	1	29	-1.0	-46.13	272.06	5.58	-40.55
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004601379	0	38	-1.0	-43.65	311.60	5.46	-38.19
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004601379	1	38	-1.0	-43.65	311.51	5.48	-38.17
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(Br)S1	REAL250004601380	0	20	-1.0	-44.18	218.23	4.24	-39.94
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(Br)S1	REAL250004601380	1	20	-1.0	-44.07	218.33	4.24	-39.83
CC(OC1CCCCCC1)C(=O)NC1=N[N-]N=N1	REAL250004601381	0	36	-1.0	-45.86	275.71	5.42	-40.44
CC(OC1CCCCCC1)C(=O)NC1=NN=N[N-]1	REAL250004601381	1	36	-1.0	-45.90	275.61	5.44	-40.46
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=N[N-]N=N1	REAL250004601382	0	34	-1.0	-45.17	291.02	0.84	-44.33
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=NN=N[N-]1	REAL250004601382	1	34	-1.0	-45.18	290.93	0.86	-44.32
CC1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601383	0	33	-1.0	-49.74	300.95	6.09	-43.65
CC1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601383	1	33	-1.0	-49.77	300.85	6.11	-43.66
CC(CNC(=O)OC(C)(C)C)CC(=O)NC1=N[N-]N=N1	REAL250004601384	0	39	-1.0	-45.87	314.91	2.77	-43.10
CC(CNC(=O)OC(C)(C)C)CC(=O)NC1=NN=N[N-]1	REAL250004601384	1	39	-1.0	-45.97	314.82	2.78	-43.19
COC1=CC=CC(OC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004601385	0	31	-1.0	-48.80	268.47	3.20	-45.60
COC1=CC=CC(OC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004601385	1	31	-1.0	-48.83	268.38	3.22	-45.61
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004601386	0	30	-1.0	-55.80	270.19	5.65	-50.15
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004601386	1	30	-1.0	-55.88	270.09	5.66	-50.22
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004601387	0	34	-1.0	-53.28	287.12	1.61	-51.67
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004601387	1	34	-1.0	-53.31	287.02	1.62	-51.69
CC(C)(C)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601388	0	35	-1.0	-44.96	288.34	6.80	-38.16
CC(C)(C)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601388	1	35	-1.0	-45.03	288.25	6.81	-38.22
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004601389	0	39	-1.0	-48.40	311.96	2.79	-45.61
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004601389	1	39	-1.0	-48.44	311.87	2.80	-45.64
CC1=NN(C)C(C)=C1OCC(=O)NC1=N[N-]N=N1	REAL250004601390	0	30	-1.0	-48.89	269.90	3.30	-45.59
CC1=NN(C)C(C)=C1OCC(=O)NC1=NN=N[N-]1	REAL250004601390	1	30	-1.0	-48.95	269.81	3.31	-45.64
O=C(NC1=NN=N[N-]1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL250004601391	0	25	-1.0	-44.44	243.38	5.07	-39.37
O=C(NC1=N[N-]N=N1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL250004601391	1	25	-1.0	-44.33	243.48	5.05	-39.28
CS(=O)(=O)N1CCN(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004601392	0	33	-1.0	-52.83	282.67	-1.63	-54.46
CS(=O)(=O)N1CCN(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004601392	1	33	-1.0	-52.89	282.57	-1.62	-54.51
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL250004601393	0	26	-1.0	-46.05	243.38	3.19	-42.86
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=C1	REAL250004601393	1	26	-1.0	-45.95	243.48	3.18	-42.77
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=N[N-]N=N1	REAL250004601394	0	32	-1.0	-51.82	286.66	7.29	-44.53
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=NN=N[N-]1	REAL250004601394	1	32	-1.0	-51.88	286.56	7.31	-44.57
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601395	0	35	-1.0	-50.51	297.06	6.52	-43.99
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601395	1	35	-1.0	-50.46	297.16	6.51	-43.95
CC1CCCC(OCCCCCC(=O)NC2=N[N-]N=N2)C1	REAL250004601396	0	45	-1.0	-46.07	352.82	7.28	-38.79
CC1CCCC(OCCCCCC(=O)NC2=NN=N[N-]2)C1	REAL250004601396	1	45	-1.0	-46.08	352.73	7.29	-38.79
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004601397	0	37	-1.0	-43.62	315.48	-0.89	-44.51
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004601397	1	37	-1.0	-43.72	315.39	-0.89	-44.61
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCOCC1	REAL250004601398	0	34	-1.0	-45.65	283.06	3.07	-42.58
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCOCC1	REAL250004601398	1	34	-1.0	-45.74	282.96	3.09	-42.65
CCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1CC1	REAL250004601399	0	33	-1.0	-44.87	279.79	5.09	-39.78
CCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1CC1	REAL250004601399	1	33	-1.0	-44.91	279.69	5.10	-39.81
O=C(NC1=N[N-]N=N1)[C@H](O)C1=CC=CC=C1Cl	REAL250004601400	0	24	-1.0	-43.77	227.04	3.09	-40.68
O=C(NC1=NN=N[N-]1)[C@H](O)C1=CC=CC=C1Cl	REAL250004601400	1	24	-1.0	-43.81	226.95	3.10	-40.71
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL250004601401	0	22	-1.0	-41.14	228.01	4.84	-36.30
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL250004601401	1	22	-1.0	-41.11	228.11	4.83	-36.28
COC(=O)C1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601402	0	29	-1.0	-49.43	266.96	5.12	-44.31
COC(=O)C1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004601402	1	29	-1.0	-49.55	266.87	5.14	-44.41
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL250004601403	0	22	-1.0	-58.45	231.73	4.99	-53.46
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL250004601403	1	22	-1.0	-58.32	231.82	4.98	-53.34
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL250004601404	0	30	-1.0	-44.51	262.90	3.03	-41.48
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC2CCC2)=C1	REAL250004601404	1	30	-1.0	-44.47	262.99	3.02	-41.45
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004601405	0	31	-1.0	-44.35	278.66	6.29	-38.06
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004601405	1	31	-1.0	-44.28	278.76	6.29	-37.99
CSC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004601406	0	24	-1.0	-42.26	233.34	4.87	-37.39
CSC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004601406	1	24	-1.0	-42.17	233.43	4.85	-37.32
O=C(NC1=N[N-]N=N1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL250004601407	0	24	-1.0	-41.83	253.19	3.51	-38.32
O=C(NC1=NN=N[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL250004601407	1	24	-1.0	-41.91	253.09	3.53	-38.38
O=C(NC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL250004601409	0	32	-1.0	-46.20	284.93	5.15	-41.05
O=C(NC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL250004601409	1	32	-1.0	-46.10	285.03	5.12	-40.98
NS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004601410	0	25	-1.0	-51.61	246.09	-1.16	-52.77
NS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004601410	1	25	-1.0	-51.54	246.19	-1.18	-52.72
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL250004601411	0	25	-1.0	-43.78	249.18	2.93	-40.85
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CN=C2)S1	REAL250004601411	1	25	-1.0	-43.71	249.29	2.92	-40.79
O=C(COC1=CC=CC=C1Br)NC1=N[N-]N=N1	REAL250004601412	0	24	-1.0	-49.55	241.48	4.97	-44.58
O=C(COC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL250004601412	1	24	-1.0	-49.64	241.39	4.98	-44.66
CC1=CC=C(C(C)C(O)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601413	0	33	-1.0	-42.71	274.30	4.55	-38.16
CC1=CC=C(C(C)C(O)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601413	1	33	-1.0	-42.76	274.21	4.57	-38.19
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=N1	REAL250004601414	0	19	-1.0	-44.46	206.08	2.57	-41.89
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=N1	REAL250004601414	1	19	-1.0	-44.40	206.18	2.58	-41.82
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1C(F)(F)F	REAL250004601415	0	22	-1.0	-49.97	214.12	3.17	-46.80
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1C(F)(F)F	REAL250004601415	1	22	-1.0	-49.89	214.22	3.16	-46.73
CCOC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1O	REAL250004601417	0	32	-1.0	-46.69	284.08	3.06	-43.63
CCOC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1O	REAL250004601417	1	32	-1.0	-46.73	283.98	3.06	-43.67
CC(C)CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1CC1	REAL250004601418	0	36	-1.0	-45.38	293.29	5.35	-40.03
CC(C)CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1CC1	REAL250004601418	1	36	-1.0	-45.41	293.19	5.36	-40.05
O=C(NC1=N[N-]N=N1)C1=CSC(C2=NC=CC=C2F)=N1	REAL250004601419	0	25	-1.0	-50.08	253.96	2.74	-47.34
O=C(NC1=NN=N[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL250004601419	1	25	-1.0	-50.17	253.86	2.74	-47.43
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)C=C1Br	REAL250004601420	0	26	-1.0	-41.15	242.92	5.66	-35.49
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)C=C1Br	REAL250004601420	1	26	-1.0	-41.05	243.01	5.66	-35.39
COC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004601421	0	28	-1.0	-45.79	257.73	4.37	-41.42
COC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004601421	1	28	-1.0	-45.84	257.62	4.37	-41.47
O=C(CC(O)C1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004601422	0	27	-1.0	-48.08	246.84	3.02	-45.06
O=C(CC(O)C1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004601422	1	27	-1.0	-48.17	246.75	3.03	-45.14
CS(=O)(=O)C1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601423	0	30	-1.0	-54.55	281.74	1.84	-52.71
CS(=O)(=O)C1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601423	1	30	-1.0	-54.62	281.65	1.85	-52.77
O=C(NC1=NN=N[N-]1)C1=CN=C2SCC(=O)NC2=C1	REAL250004601424	0	25	-1.0	-43.16	242.51	0.89	-42.27
O=C(NC1=N[N-]N=N1)C1=CN=C2SCC(=O)NC2=C1	REAL250004601424	1	25	-1.0	-43.09	242.60	0.88	-42.21
CCCCCCCCCCC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004601425	0	49	-1.0	-44.07	376.78	9.44	-34.63
CCCCCCCCCCC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004601425	1	49	-1.0	-44.15	376.69	9.45	-34.70
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601426	0	33	-1.0	-41.53	285.97	5.79	-35.74
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601426	1	33	-1.0	-41.62	285.87	5.81	-35.81
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CS2)=N1	REAL250004601427	0	27	-1.0	-49.05	257.50	4.29	-44.76
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CS2)=N1	REAL250004601427	1	27	-1.0	-49.00	257.61	4.27	-44.73
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL250004601428	0	27	-1.0	-41.18	260.12	4.74	-36.44
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL250004601428	1	27	-1.0	-41.11	260.21	4.72	-36.39
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CCC(F)(F)F	REAL250004601429	0	29	-1.0	-45.54	261.75	6.38	-39.16
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CCC(F)(F)F	REAL250004601429	1	29	-1.0	-45.45	261.84	6.36	-39.09
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601430	0	32	-1.0	-51.16	282.32	2.75	-48.41
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601430	1	32	-1.0	-51.08	282.42	2.74	-48.34
CC1=CC(S(C)(=O)=O)=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004601431	0	32	-1.0	-50.89	281.58	2.54	-48.35
CC1=CC(S(C)(=O)=O)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004601431	1	32	-1.0	-50.84	281.68	2.54	-48.30
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NC1=N[N-]N=N1	REAL250004601432	0	30	-1.0	-42.33	283.16	6.99	-35.34
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NC1=NN=N[N-]1	REAL250004601432	1	30	-1.0	-42.42	283.06	7.00	-35.42
CC(=CC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601433	0	27	-1.0	-44.40	251.66	6.10	-38.30
CC(=CC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601433	1	27	-1.0	-44.46	251.55	6.11	-38.35
O=C(NC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2OC1	REAL250004601434	0	26	-1.0	-43.49	239.78	4.36	-39.13
O=C(NC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL250004601434	1	26	-1.0	-43.58	239.68	4.36	-39.22
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(F)C=C2C1	REAL250004601435	0	28	-1.0	-41.42	248.56	4.38	-37.04
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(F)C=C2C1	REAL250004601435	1	28	-1.0	-41.45	248.47	4.40	-37.05
CCC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004601436	0	28	-1.0	-43.24	255.08	5.17	-38.07
CCC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004601436	1	28	-1.0	-43.27	254.99	5.18	-38.09
CCC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601437	0	35	-1.0	-44.41	277.74	6.60	-37.81
CCC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601437	1	35	-1.0	-44.28	277.84	6.58	-37.70
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCCO2)=N1	REAL250004601438	0	27	-1.0	-45.05	253.82	1.79	-43.26
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCCO2)=N1	REAL250004601438	1	27	-1.0	-45.14	253.72	1.80	-43.34
CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004601439	0	23	-1.0	-51.91	241.49	0.31	-51.60
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004601439	1	23	-1.0	-51.82	241.59	0.30	-51.52
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004601440	0	30	-1.0	-43.94	270.85	4.88	-39.06
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004601440	1	30	-1.0	-43.96	270.75	4.90	-39.06
CC(=O)C1=C(C)NC(C(=O)NC2=NN=N[N-]2)=C1C(C)C	REAL250004601441	0	35	-1.0	-47.81	290.12	4.48	-43.33
CC(=O)C1=C(C)NC(C(=O)NC2=N[N-]N=N2)=C1C(C)C	REAL250004601441	1	35	-1.0	-47.75	290.22	4.47	-43.28
CC1=CN(CC2=CC(C(=O)NC3=N[N-]N=N3)=NO2)N=C1	REAL250004601442	0	29	-1.0	-48.72	272.40	3.57	-45.15
CC1=CN(CC2=CC(C(=O)NC3=NN=N[N-]3)=NO2)N=C1	REAL250004601442	1	29	-1.0	-48.79	272.30	3.57	-45.22
CNS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CO1	REAL250004601443	0	25	-1.0	-50.21	249.81	-1.99	-52.20
CNS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CO1	REAL250004601443	1	25	-1.0	-50.11	249.91	-1.99	-52.10
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004601444	0	29	-1.0	-56.65	264.19	5.66	-50.99
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004601444	1	29	-1.0	-56.54	264.29	5.65	-50.89
O=C(NC1=N[N-]N=N1)C1=NN(CCO)C(=O)CC1	REAL250004601445	0	28	-1.0	-42.36	252.34	-1.43	-43.79
O=C(NC1=NN=N[N-]1)C1=NN(CCO)C(=O)CC1	REAL250004601445	1	28	-1.0	-42.47	252.24	-1.43	-43.90
COC(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004601446	0	32	-1.0	-45.18	267.95	4.67	-40.51
COC(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004601446	1	32	-1.0	-45.28	267.86	4.70	-40.58
O=C(CCC(=O)N1CCC(O)CC1)NC1=N[N-]N=N1	REAL250004601447	0	34	-1.0	-45.56	281.99	0.46	-45.10
O=C(CCC(=O)N1CCC(O)CC1)NC1=NN=N[N-]1	REAL250004601447	1	34	-1.0	-45.63	281.90	0.48	-45.15
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1O	REAL250004601449	1	21	-1.0	-43.67	217.63	2.90	-40.77
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1O	REAL250004601449	1	21	-1.0	-43.74	217.53	2.91	-40.83
O=C(NC1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL250004601450	1	27	-1.0	-45.09	255.43	5.04	-40.05
O=C(NC1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL250004601450	1	27	-1.0	-44.98	255.54	5.04	-39.94
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=N1	REAL250004601451	0	22	-1.0	-45.99	220.54	3.16	-42.83
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=N1	REAL250004601451	1	22	-1.0	-46.06	220.44	3.16	-42.90
CCCCS(=O)(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004601452	0	30	-1.0	-51.24	273.09	-0.54	-51.78
CCCCS(=O)(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004601452	1	30	-1.0	-51.32	273.00	-0.53	-51.85
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004601453	0	26	-1.0	-49.89	240.76	3.66	-46.23
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004601453	1	26	-1.0	-49.81	240.86	3.64	-46.17
COC(=O)C1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004601454	0	32	-1.0	-49.86	280.06	5.70	-44.16
COC(=O)C1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004601454	1	32	-1.0	-49.90	279.96	5.71	-44.19
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601455	0	42	-1.0	-41.93	324.91	3.93	-38.00
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601455	1	42	-1.0	-41.91	324.82	3.95	-37.96
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CC1(CCCC(=O)NC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004601475	1	31	-1.0	-52.40	267.47	-1.16	-53.56
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CC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL250004601477	1	32	-1.0	-51.60	268.87	6.92	-44.68
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CC(C)(C)OC(=O)NC(C)(C(=O)NC1=NN=N[N-]1)C1CC1	REAL250004601480	1	40	-1.0	-39.79	313.90	3.30	-36.49
CC(C)C1=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004601481	0	28	-1.0	-50.01	264.07	2.99	-47.02
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COCCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601483	0	34	-1.0	-48.85	297.13	3.97	-44.88
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CC(C)(C)C1=CC=C(C(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601485	0	41	-1.0	-45.25	319.38	7.71	-37.54
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601485	1	41	-1.0	-45.33	319.29	7.73	-37.60
CC1=C(CC(=O)NC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004601486	0	28	-1.0	-48.66	251.97	5.52	-43.14
CC1=C(CC(=O)NC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004601486	1	28	-1.0	-48.73	251.88	5.53	-43.20
CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004601487	0	28	-1.0	-45.71	250.09	4.79	-40.92
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004601487	1	28	-1.0	-45.67	250.18	4.78	-40.89
CC(C)COC1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601488	0	37	-1.0	-49.98	314.01	6.04	-43.94
CC(C)COC1=CC=CC(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601488	1	37	-1.0	-50.08	313.92	6.05	-44.03
O=C(CCCNC(=O)C1=CC=CN=C1)NC1=NN=N[N-]1	REAL250004601489	0	32	-1.0	-48.99	285.02	1.97	-47.02
O=C(CCCNC(=O)C1=CC=CN=C1)NC1=N[N-]N=N1	REAL250004601489	1	32	-1.0	-48.89	285.11	1.96	-46.93
CC1=C(CCCC(=O)NC2=N[N-]N=N2)SC=C1	REAL250004601490	0	29	-1.0	-45.97	263.84	5.71	-40.26
CC1=C(CCCC(=O)NC2=NN=N[N-]2)SC=C1	REAL250004601490	1	29	-1.0	-46.03	263.75	5.73	-40.30
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NC1=N[N-]N=N1	REAL250004601491	0	40	-1.0	-51.86	317.60	5.13	-46.73
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NC1=NN=N[N-]1	REAL250004601491	1	40	-1.0	-51.94	317.51	5.15	-46.79
C=CC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004601493	0	31	-1.0	-50.38	259.71	3.33	-47.05
C=CC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004601493	1	31	-1.0	-50.43	259.62	3.36	-47.07
CC1(C)CCC2=C(C=C(C(=O)NC3=N[N-]N=N3)C(=O)N2)C1	REAL250004601494	0	36	-1.0	-54.77	288.29	4.32	-50.45
CC1(C)CCC2=C(C=C(C(=O)NC3=NN=N[N-]3)C(=O)N2)C1	REAL250004601494	1	36	-1.0	-54.82	288.19	4.32	-50.50
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004601495	0	27	-1.0	-44.85	258.15	4.26	-40.59
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004601495	1	27	-1.0	-44.96	258.05	4.28	-40.68
CC(C)C(C(=O)NC1=N[N-]N=N1)N1CCCS1(=O)=O	REAL250004601496	0	34	-1.0	-50.17	278.87	1.00	-49.17
CC(C)C(C(=O)NC1=NN=N[N-]1)N1CCCS1(=O)=O	REAL250004601496	1	34	-1.0	-50.30	278.99	1.02	-49.28
CC(CSCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601497	0	33	-1.0	-42.48	295.65	7.22	-35.26
CC(CSCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601497	1	33	-1.0	-42.53	295.55	7.24	-35.29
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004601498	0	25	-1.0	-63.05	244.32	5.01	-58.04
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004601498	1	25	-1.0	-63.17	244.23	5.02	-58.15
N#CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=C1	REAL250004601499	0	28	-1.0	-53.61	259.35	5.87	-47.74
N#CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=C1	REAL250004601499	1	28	-1.0	-53.69	259.25	5.88	-47.81
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C(C)(C)C	REAL250004601500	0	42	-1.0	-40.56	324.02	3.54	-37.02
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C(C)(C)C	REAL250004601500	1	42	-1.0	-40.63	323.93	3.56	-37.07
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NC1=N[N-]N=N1	REAL250004601501	0	37	-1.0	-53.32	313.33	-1.21	-54.53
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NC1=NN=N[N-]1	REAL250004601501	1	37	-1.0	-53.34	313.23	-1.19	-54.53
CC(C(=O)NC1=NN=N[N-]1)N1C=NC2=CC=CC=C21	REAL250004601502	0	29	-1.0	-48.30	256.16	5.62	-42.68
CC(C(=O)NC1=N[N-]N=N1)N1C=NC2=CC=CC=C21	REAL250004601502	1	29	-1.0	-48.23	256.25	5.60	-42.63
CC1=NC(Cl)=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004601503	0	25	-1.0	-46.73	241.22	3.62	-43.11
CC1=NC(Cl)=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004601503	1	25	-1.0	-46.79	241.13	3.64	-43.15
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL250004601504	0	36	-1.0	-45.23	304.74	7.05	-38.18
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL250004601504	1	36	-1.0	-45.18	304.85	7.04	-38.14
O=C(CSCC1=CSC=N1)NC1=N[N-]N=N1	REAL250004601505	0	23	-1.0	-48.60	241.21	2.83	-45.77
O=C(CSCC1=CSC=N1)NC1=NN=N[N-]1	REAL250004601505	1	23	-1.0	-48.64	241.12	2.83	-45.81
O=C(CC1=CC=C(C(F)F)C=C1)NC1=N[N-]N=N1	REAL250004601506	0	26	-1.0	-46.70	244.33	5.34	-41.36
O=C(CC1=CC=C(C(F)F)C=C1)NC1=NN=N[N-]1	REAL250004601506	1	26	-1.0	-46.75	244.23	5.36	-41.39
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL250004601507	0	26	-1.0	-40.47	263.11	3.97	-36.50
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL250004601507	1	26	-1.0	-40.39	263.21	3.96	-36.43
CC(C)(C)OC(=O)N1CCOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004601508	0	38	-1.0	-46.66	309.34	3.44	-43.22
CC(C)(C)OC(=O)N1CCOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004601508	1	38	-1.0	-46.70	309.24	3.45	-43.25
CN1C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004601509	0	27	-1.0	-47.22	245.37	2.69	-44.53
CN1C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004601509	1	27	-1.0	-47.15	245.47	2.68	-44.47
CC(C)CC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601510	0	36	-1.0	-44.57	303.15	7.67	-36.90
CC(C)CC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601510	1	36	-1.0	-44.61	303.05	7.68	-36.93
CCSC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601511	0	30	-1.0	-45.63	273.83	6.33	-39.30
CCSC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601511	1	30	-1.0	-45.72	273.73	6.35	-39.37
CC1=NN=C(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)O1	REAL250004601512	0	28	-1.0	-61.12	258.29	1.03	-60.09
CC1=NN=C(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)O1	REAL250004601512	1	28	-1.0	-61.01	258.39	1.02	-59.99
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CO2)S1	REAL250004601513	0	24	-1.0	-44.27	242.13	4.73	-39.54
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CO2)S1	REAL250004601513	1	24	-1.0	-44.21	242.24	4.72	-39.49
O=C(CCCOC1=CC=C2OCOC2=C1)NC1=N[N-]N=N1	REAL250004601514	0	33	-1.0	-50.72	289.58	3.51	-47.21
O=C(CCCOC1=CC=C2OCOC2=C1)NC1=NN=N[N-]1	REAL250004601514	1	33	-1.0	-50.77	289.49	3.53	-47.24
O=C(CCCOC1=CC=C2CCCC2=C1)NC1=N[N-]N=N1	REAL250004601515	0	37	-1.0	-48.50	309.07	6.78	-41.72
O=C(CCCOC1=CC=C2CCCC2=C1)NC1=NN=N[N-]1	REAL250004601515	1	37	-1.0	-48.62	308.98	6.79	-41.83
CC(C)(C)C1CCC(=CC(=O)NC2=N[N-]N=N2)CC1	REAL250004601516	0	39	-1.0	-44.11	291.56	6.62	-37.49
CC(C)(C)C1CCC(=CC(=O)NC2=NN=N[N-]2)CC1	REAL250004601516	1	39	-1.0	-44.20	291.46	6.63	-37.57
COC1=CC=CC(C2=CC(C(=O)NC3=NN=N[N-]3)=NN2)=C1	REAL250004601517	0	31	-1.0	-45.73	278.03	3.10	-42.63
COC1=CC=CC(C2=CC(C(=O)NC3=N[N-]N=N3)=NN2)=C1	REAL250004601517	1	31	-1.0	-45.66	278.13	3.09	-42.57
CC(C)CC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601518	0	38	-1.0	-43.29	314.69	7.96	-35.33
CC(C)CC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601518	1	38	-1.0	-43.35	314.60	7.98	-35.37
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004601519	0	29	-1.0	-45.32	258.42	5.80	-39.52
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004601519	1	29	-1.0	-45.41	258.33	5.81	-39.60
O=C(CSCC1=CSC=N1)NC1=N[N-]N=N1	REAL250004601520	0	23	-1.0	-48.60	241.21	2.83	-45.77
O=C(CSCC1=CSC=N1)NC1=NN=N[N-]1	REAL250004601520	1	23	-1.0	-48.64	241.12	2.83	-45.81
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC(Cl)=CC=C2N1	REAL250004601521	0	27	-1.0	-49.62	261.40	4.82	-44.80
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC(Cl)=CC=C2N1	REAL250004601521	1	27	-1.0	-49.56	261.49	4.82	-44.74
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601522	0	29	-1.0	-50.05	269.62	-0.98	-51.03
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601522	1	29	-1.0	-49.96	269.72	-0.98	-50.94
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1O)CCCC2	REAL250004601523	0	31	-1.0	-46.60	258.96	4.78	-41.82
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1O)CCCC2	REAL250004601523	1	31	-1.0	-46.56	259.06	4.77	-41.79
O=C(C=CC(=O)NC1=CC2=CNN=C2C=C1)NC1=N[N-]N=N1	REAL250004601524	0	31	-1.0	-50.78	285.79	2.08	-48.70
O=C(C=CC(=O)NC1=CC2=CNN=C2C=C1)NC1=NN=N[N-]1	REAL250004601524	1	31	-1.0	-50.79	285.70	2.08	-48.71
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(C(F)(F)F)=C1	REAL250004601525	0	22	-1.0	-38.14	239.19	3.48	-34.66
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(C(F)(F)F)=C1	REAL250004601525	1	22	-1.0	-38.08	239.28	3.47	-34.61
O=C(NC1=NN=N[N-]1)C1=CC=C(CCC(F)(F)F)C=C1	REAL250004601526	0	29	-1.0	-46.05	269.92	6.40	-39.65
O=C(NC1=N[N-]N=N1)C1=CC=C(CCC(F)(F)F)C=C1	REAL250004601526	1	29	-1.0	-45.96	270.02	6.39	-39.57
CC(C)(C)OC(=O)N(CC(=O)NC1=N[N-]N=N1)C1CC1	REAL250004601527	0	37	-1.0	-50.22	300.48	4.89	-45.33
CC(C)(C)OC(=O)N(CC(=O)NC1=NN=N[N-]1)C1CC1	REAL250004601527	1	37	-1.0	-50.30	300.38	4.90	-45.40
CCC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004601528	0	36	-1.0	-44.20	296.17	5.67	-38.53
CCC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004601528	1	36	-1.0	-44.27	296.07	5.67	-38.60
CC(C)(C)C1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004601529	0	41	-1.0	-43.64	293.77	6.52	-37.12
CC(C)(C)C1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004601529	1	41	-1.0	-43.72	293.68	6.53	-37.19
CC1=CC=C(F)C(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601530	0	27	-1.0	-51.46	248.70	5.06	-46.40
CC1=CC=C(F)C(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601530	1	27	-1.0	-51.50	248.60	5.07	-46.43
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC(C)=C1Cl	REAL250004601531	0	30	-1.0	-46.17	275.23	5.99	-40.18
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC(C)=C1Cl	REAL250004601531	1	30	-1.0	-46.21	275.13	6.00	-40.21
O=C(COC1=CC=C2CCCCC2=C1)NC1=N[N-]N=N1	REAL250004601532	0	34	-1.0	-47.77	283.79	6.81	-40.96
O=C(COC1=CC=C2CCCCC2=C1)NC1=NN=N[N-]1	REAL250004601532	1	34	-1.0	-47.84	283.70	6.82	-41.02
CN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004601533	0	28	-1.0	-50.68	244.12	4.31	-46.37
CN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004601533	1	28	-1.0	-50.58	244.22	4.31	-46.27
CC1=CC(S(N)(=O)=O)=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004601534	0	31	-1.0	-48.76	275.06	-0.02	-48.78
CC1=CC(S(N)(=O)=O)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004601534	1	31	-1.0	-48.65	275.16	-0.02	-48.67
NC(=O)C1=CN=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601535	0	23	-1.0	-47.14	231.84	-0.63	-47.77
NC(=O)C1=CN=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601535	1	23	-1.0	-47.06	231.93	-0.64	-47.70
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL250004601536	0	30	-1.0	-43.43	260.14	5.10	-38.33
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL250004601536	1	30	-1.0	-43.31	260.24	5.09	-38.22
COC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NN2)C=C1	REAL250004601537	0	31	-1.0	-46.21	277.99	3.09	-43.12
COC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NN2)C=C1	REAL250004601537	1	31	-1.0	-46.16	278.09	3.08	-43.08
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1=N[N-]N=N1	REAL250004601538	0	26	-1.0	-45.69	265.29	6.34	-39.35
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1=NN=N[N-]1	REAL250004601538	1	26	-1.0	-45.77	265.20	6.36	-39.41
O=C(NC1=N[N-]N=N1)C1(SC2=CC=CC=C2)CC1	REAL250004601539	0	28	-1.0	-43.85	257.82	6.17	-37.68
O=C(NC1=NN=N[N-]1)C1(SC2=CC=CC=C2)CC1	REAL250004601539	1	28	-1.0	-43.95	257.73	6.19	-37.76
CC(C(=O)NC1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL250004601540	0	33	-1.0	-47.15	282.07	0.69	-46.46
CC(C(=O)NC1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL250004601540	1	33	-1.0	-47.23	281.98	0.70	-46.53
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004601541	0	35	-1.0	-44.61	290.46	4.94	-39.67
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004601541	1	35	-1.0	-44.68	290.36	4.96	-39.72
O=C(CCC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004601542	0	26	-1.0	-44.08	245.41	5.38	-38.70
O=C(CCC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004601542	1	26	-1.0	-44.08	245.32	5.40	-38.68
CC1=CC=C(C(C)C)C(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601543	0	39	-1.0	-43.89	322.04	6.79	-37.10
CC1=CC=C(C(C)C)C(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601543	1	39	-1.0	-43.95	321.94	6.81	-37.14
CC(C)C1=CC=CC=C1OCCC(=O)NC1=N[N-]N=N1	REAL250004601544	0	36	-1.0	-43.64	300.63	6.13	-37.51
CC(C)C1=CC=CC=C1OCCC(=O)NC1=NN=N[N-]1	REAL250004601544	1	36	-1.0	-43.69	300.53	6.14	-37.55
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL250004601545	0	25	-1.0	-45.92	249.96	2.86	-43.06
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=NC=C2)=N1	REAL250004601545	1	25	-1.0	-45.87	250.06	2.85	-43.02
CC(C)(C)OC(=O)N1CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004601546	0	34	-1.0	-45.23	286.04	3.08	-42.15
CC(C)(C)OC(=O)N1CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004601546	1	34	-1.0	-45.30	285.95	3.09	-42.21
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CN=N1	REAL250004601547	0	26	-1.0	-63.87	238.81	3.66	-60.21
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CN=N1	REAL250004601547	1	26	-1.0	-63.80	238.91	3.65	-60.15
COC1=CC2=NNN=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004601548	0	26	-1.0	-46.52	234.22	1.60	-44.92
COC1=CC2=NNN=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004601548	1	26	-1.0	-46.46	234.32	1.60	-44.86
O=C(CC1=CC=C2CC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004601549	0	28	-1.0	-48.02	254.11	2.91	-45.11
O=C(CC1=CC=C2CC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004601549	1	28	-1.0	-48.11	254.02	2.93	-45.18
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC1=NN=N[N-]1	REAL250004601550	0	29	-1.0	-43.27	264.23	5.28	-37.99
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC1=N[N-]N=N1	REAL250004601550	1	29	-1.0	-43.16	264.32	5.27	-37.89
CCCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004601551	0	36	-1.0	-45.99	306.46	6.88	-39.11
CCCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004601551	1	36	-1.0	-45.90	306.55	6.87	-39.03
O=C(NC1=NN=N[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL250004601552	0	30	-1.0	-40.70	284.10	3.61	-37.09
O=C(NC1=N[N-]N=N1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL250004601552	1	30	-1.0	-40.60	284.20	3.60	-37.00
CC1=CC=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601553	0	26	-1.0	-39.76	243.17	5.23	-34.53
CC1=CC=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601553	1	26	-1.0	-39.79	243.07	5.25	-34.54
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL250004601554	0	31	-1.0	-53.40	288.37	5.76	-47.64
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL250004601554	1	31	-1.0	-53.35	288.47	5.76	-47.59
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1C	REAL250004601555	0	26	-1.0	-46.83	235.61	5.43	-41.40
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1C	REAL250004601555	1	26	-1.0	-46.78	235.72	5.42	-41.36
O=C(NC1=NN=N[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL250004601556	0	23	-1.0	-44.82	238.73	2.91	-41.91
O=C(NC1=N[N-]N=N1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL250004601556	1	23	-1.0	-44.75	238.83	2.90	-41.85
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004601557	0	30	-1.0	-46.06	276.50	5.98	-40.08
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004601557	1	30	-1.0	-46.04	276.60	5.98	-40.06
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL250004601558	0	30	-1.0	-48.93	269.30	2.47	-46.46
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL250004601558	1	30	-1.0	-48.79	269.40	2.46	-46.33
CCC1=NC2=CC=CC=C2N1CC(=O)NC1=NN=N[N-]1	REAL250004601559	0	32	-1.0	-50.90	278.31	5.89	-45.01
CCC1=NC2=CC=CC=C2N1CC(=O)NC1=N[N-]N=N1	REAL250004601559	1	32	-1.0	-50.82	278.40	5.88	-44.94
O=C(CC(=O)NC1=N[N-]N=N1)NCC(F)(F)F	REAL250004601560	0	23	-1.0	-53.11	229.03	1.77	-51.34
O=C(CC(=O)NC1=NN=N[N-]1)NCC(F)(F)F	REAL250004601560	1	23	-1.0	-53.18	228.93	1.78	-51.40
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CS2)S1	REAL250004601561	0	24	-1.0	-43.63	250.72	5.70	-37.93
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CS2)S1	REAL250004601561	1	24	-1.0	-43.50	250.83	5.69	-37.81
O=C(NC1=NN=N[N-]1)C1=CC=C(SC2CC2)C=C1	REAL250004601562	0	28	-1.0	-43.93	258.54	6.44	-37.49
O=C(NC1=N[N-]N=N1)C1=CC=C(SC2CC2)C=C1	REAL250004601562	1	28	-1.0	-43.88	258.64	6.44	-37.44
CCCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004601563	0	39	-1.0	-45.45	316.54	6.44	-39.01
CCCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004601563	1	39	-1.0	-45.52	316.44	6.46	-39.06
CC(C)COC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004601564	0	32	-1.0	-40.61	294.03	3.52	-37.09
CC(C)COC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004601564	1	32	-1.0	-40.57	294.13	3.51	-37.06
O=C(NC1=NN=N[N-]1)C1=NC=CN=C1SC1=CC=CC=C1	REAL250004601565	0	29	-1.0	-48.64	277.76	4.55	-44.09
O=C(NC1=N[N-]N=N1)C1=NC=CN=C1SC1=CC=CC=C1	REAL250004601565	1	29	-1.0	-48.56	277.86	4.55	-44.01
CCC(CC)N1N=C(C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601566	0	35	-1.0	-41.79	290.67	5.20	-36.59
CCC(CC)N1N=C(C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601566	1	35	-1.0	-41.92	290.58	5.20	-36.72
CC(CCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601567	0	35	-1.0	-44.29	292.71	7.35	-36.94
CC(CCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601567	1	35	-1.0	-44.37	292.62	7.38	-36.99
O=C(NC1=N[N-]N=N1)C1CCC2=C(Cl)C=CC=C21	REAL250004601568	0	27	-1.0	-43.65	249.38	6.07	-37.58
O=C(NC1=NN=N[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL250004601568	1	27	-1.0	-43.72	249.29	6.09	-37.63
CN(C)C1=C2C=C(C(=O)NC3=N[N-]N=N3)N(C)C2=NC=N1	REAL250004601569	0	33	-1.0	-42.74	279.62	4.61	-38.13
CN(C)C1=C2C=C(C(=O)NC3=NN=N[N-]3)N(C)C2=NC=N1	REAL250004601569	1	33	-1.0	-42.83	279.53	4.61	-38.22
O=C(CCC1=CC=C2NC=CC2=C1)NC1=N[N-]N=N1	REAL250004601570	0	30	-1.0	-46.82	264.91	5.33	-41.49
O=C(CCC1=CC=C2NC=CC2=C1)NC1=NN=N[N-]1	REAL250004601570	1	30	-1.0	-46.93	264.82	5.34	-41.59
CCC(C(=O)NC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004601571	0	33	-1.0	-44.98	277.13	4.98	-40.00
CCC(C(=O)NC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004601571	1	33	-1.0	-45.06	277.04	5.00	-40.06
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2F)CCC1	REAL250004601572	0	30	-1.0	-40.70	257.19	6.43	-34.27
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL250004601572	1	30	-1.0	-40.72	257.10	6.45	-34.27
CC(CC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL250004601573	0	31	-1.0	-41.52	286.10	6.13	-35.39
CC(CC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250004601573	1	31	-1.0	-41.58	286.01	6.14	-35.44
O=C(CCCC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004601574	0	35	-1.0	-47.99	301.16	8.31	-39.68
O=C(CCCC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004601574	1	35	-1.0	-48.09	301.07	8.33	-39.76
CC(C)C(NS(C)(=O)=O)C(=O)NC1=N[N-]N=N1	REAL250004601575	0	30	-1.0	-60.11	265.14	-1.05	-61.16
CC(C)C(NS(C)(=O)=O)C(=O)NC1=NN=N[N-]1	REAL250004601575	1	30	-1.0	-60.13	265.06	-1.03	-61.16
CC(C)(C)OCC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601576	0	36	-1.0	-45.30	291.44	5.86	-39.44
CC(C)(C)OCC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601576	1	36	-1.0	-45.26	291.54	5.84	-39.42
CC1=C(C)N2C(=NC=C(C(=O)NC3=NN=N[N-]3)C2=O)S1	REAL250004601577	0	28	-1.0	-53.54	256.31	4.37	-49.17
COC1=CC=C(SC)C(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004601578	0	32	-1.0	-53.27	291.92	3.64	-49.63
COC1=CC=C(SC)C(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004601578	1	32	-1.0	-53.23	292.02	3.61	-49.62
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL250004601579	0	27	-1.0	-46.69	251.22	2.07	-44.62
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL250004601579	1	27	-1.0	-46.63	251.32	2.08	-44.55
O=C(NC1=NN=N[N-]1)C1=CN=C2OCC(=O)NC2=C1	REAL250004601580	0	25	-1.0	-43.97	233.15	-2.07	-46.04
O=C(NC1=N[N-]N=N1)C1=CN=C2OCC(=O)NC2=C1	REAL250004601580	1	25	-1.0	-43.90	233.25	-2.07	-45.97
O=C(CC(O)C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004601581	0	27	-1.0	-46.37	256.98	3.50	-42.87
O=C(CC(O)C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004601581	1	27	-1.0	-46.46	256.89	3.50	-42.96
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004601582	0	30	-1.0	-47.17	261.14	4.79	-42.38
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004601582	1	30	-1.0	-47.08	261.23	4.78	-42.30
CC(C)(C)SC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004601583	0	32	-1.0	-44.07	278.57	6.12	-37.95
CC(C)(C)SC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004601583	1	32	-1.0	-44.00	278.67	6.11	-37.89
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL250004601584	0	23	-1.0	-42.28	238.63	5.31	-36.97
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL250004601584	1	23	-1.0	-42.20	238.73	5.30	-36.90
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL250004601585	0	26	-1.0	-46.62	259.96	3.41	-43.21
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL250004601585	1	26	-1.0	-46.59	260.06	3.40	-43.19
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL250004601586	0	29	-1.0	-43.29	261.95	2.79	-40.50
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL250004601586	1	29	-1.0	-43.21	262.06	2.78	-40.43
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL250004601587	0	24	-1.0	-48.46	231.23	4.80	-43.66
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC(F)(F)F	REAL250004601587	1	24	-1.0	-48.36	231.33	4.78	-43.58
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601588	0	32	-1.0	-48.21	290.29	1.16	-47.05
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601588	1	32	-1.0	-48.16	290.39	1.15	-47.01
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL250004601589	0	25	-1.0	-37.92	249.98	5.23	-32.69
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL250004601589	1	25	-1.0	-38.00	249.89	5.25	-32.75
COCCOC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004601590	0	30	-1.0	-46.68	270.27	0.73	-45.95
COCCOC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004601590	1	30	-1.0	-46.60	270.37	0.72	-45.88
CC1=CSC2=NC=C(C(=O)NC3=NN=N[N-]3)C(=O)N12	REAL250004601591	0	25	-1.0	-54.67	237.50	3.68	-50.99
CC(CC(=O)NC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004601592	0	32	-1.0	-45.74	284.47	6.98	-38.76
CC(CC(=O)NC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004601592	1	32	-1.0	-45.79	284.38	6.99	-38.80
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=NN=CO2)=C1	REAL250004601593	0	25	-1.0	-54.35	238.31	-0.28	-54.63
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=NN=CO2)=C1	REAL250004601593	1	25	-1.0	-54.30	238.41	-0.29	-54.59
CC(O)C(NC(=O)C1CCCC1)C(=O)NC1=N[N-]N=N1	REAL250004601594	0	37	-1.0	-42.03	297.92	0.26	-41.77
CC(O)C(NC(=O)C1CCCC1)C(=O)NC1=NN=N[N-]1	REAL250004601594	1	37	-1.0	-42.07	297.82	0.27	-41.80
CC(O)C(NC(=O)C1CC1)C(=O)NC1=N[N-]N=N1	REAL250004601595	0	31	-1.0	-42.88	262.17	-0.58	-43.46
CC(O)C(NC(=O)C1CC1)C(=O)NC1=NN=N[N-]1	REAL250004601595	1	31	-1.0	-42.95	262.08	-0.56	-43.51
CC1=NC(C(=O)NC2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL250004601596	0	29	-1.0	-46.90	273.33	5.36	-41.54
CC1=NC(C(=O)NC2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL250004601596	1	29	-1.0	-46.78	273.44	5.35	-41.43
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1O	REAL250004601597	0	24	-1.0	-43.38	235.01	3.28	-40.10
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1O	REAL250004601597	1	24	-1.0	-43.41	234.92	3.30	-40.11
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=NN=N[N-]3)O2)=C1	REAL250004601598	0	36	-1.0	-44.45	311.27	7.47	-36.98
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)=C1	REAL250004601598	1	36	-1.0	-44.36	311.37	7.46	-36.90
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL250004601599	0	20	-1.0	-45.77	213.96	4.43	-41.34
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1F	REAL250004601599	1	20	-1.0	-45.67	214.06	4.42	-41.25
O=C(NC1=NN=N[N-]1)C1=CN=CN=C1C1=CC=CC=C1	REAL250004601600	0	28	-1.0	-42.51	251.04	5.34	-37.17
O=C(NC1=N[N-]N=N1)C1=CN=CN=C1C1=CC=CC=C1	REAL250004601600	1	28	-1.0	-42.43	251.14	5.34	-37.09
O=C(NC1=NN=N[N-]1)C1=C(Br)N=CS1	REAL250004601601	0	16	-1.0	-44.04	192.48	1.48	-42.56
O=C(NC1=N[N-]N=N1)C1=C(Br)N=CS1	REAL250004601601	1	16	-1.0	-43.93	192.58	1.47	-42.46
CC(C(=O)NC1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL250004601602	0	33	-1.0	-52.01	273.83	2.80	-49.21
CC(C(=O)NC1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL250004601602	1	33	-1.0	-52.10	273.74	2.82	-49.28
O=C(NC1=NN=N[N-]1)C1=CSC(NC2CC2)=N1	REAL250004601603	0	25	-1.0	-44.41	243.34	2.53	-41.88
O=C(NC1=N[N-]N=N1)C1=CSC(NC2CC2)=N1	REAL250004601603	1	25	-1.0	-44.38	243.45	2.51	-41.87
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL250004601604	0	30	-1.0	-46.90	273.92	5.45	-41.45
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL250004601604	1	30	-1.0	-46.85	274.03	5.45	-41.40
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL250004601605	0	33	-1.0	-48.29	288.91	6.06	-42.23
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL250004601605	1	33	-1.0	-48.24	289.01	6.05	-42.19
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL250004601606	0	36	-1.0	-48.18	310.32	6.72	-41.46
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL250004601606	1	36	-1.0	-48.11	310.42	6.71	-41.40
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL250004601607	0	36	-1.0	-44.46	298.41	4.31	-40.15
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC2CCCCC2)=C1	REAL250004601607	1	36	-1.0	-44.37	298.50	4.29	-40.08
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C(C)C1CC1	REAL250004601608	0	33	-1.0	-48.52	286.16	5.16	-43.36
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C(C)C1CC1	REAL250004601608	1	33	-1.0	-48.59	286.06	5.18	-43.41
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1C(F)(F)F	REAL250004601609	0	22	-1.0	-49.80	214.94	3.12	-46.68
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1C(F)(F)F	REAL250004601609	1	22	-1.0	-49.73	215.03	3.11	-46.62
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601610	0	35	-1.0	-43.33	297.04	6.52	-36.81
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601610	1	35	-1.0	-43.23	297.14	6.51	-36.72
CCOC1=CC(Cl)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601611	0	27	-1.0	-46.79	253.30	5.74	-41.05
CCOC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601611	1	27	-1.0	-46.74	253.40	5.72	-41.02
CC1=CN2C(=NC=C(C(=O)NC3=NN=N[N-]3)C2=O)S1	REAL250004601612	0	25	-1.0	-53.69	242.94	3.89	-49.80
O=C(NC1=NN=N[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL250004601613	0	26	-1.0	-53.11	249.22	2.65	-50.46
O=C(NC1=N[N-]N=N1)C1=CC(OCC(F)F)=CC=N1	REAL250004601613	1	26	-1.0	-53.00	249.32	2.64	-50.36
O=C(NC1=NN=N[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL250004601614	0	29	-1.0	-42.53	271.06	2.33	-40.20
O=C(NC1=N[N-]N=N1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL250004601614	1	29	-1.0	-42.44	271.16	2.33	-40.11
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004601615	0	30	-1.0	-49.90	266.17	5.13	-44.77
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004601615	1	30	-1.0	-49.83	266.27	5.12	-44.71
COC1=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004601616	0	31	-1.0	-51.05	272.10	3.87	-47.18
COC1=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004601616	1	31	-1.0	-51.01	272.20	3.85	-47.16
CCCCCCCCC(C)CC(=O)NC1=N[N-]N=N1	REAL250004601617	0	43	-1.0	-43.50	337.58	8.17	-35.33
CCCCCCCCC(C)CC(=O)NC1=NN=N[N-]1	REAL250004601617	1	43	-1.0	-43.60	337.49	8.18	-35.42
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL250004601618	0	35	-1.0	-41.24	296.41	5.51	-35.73
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL250004601618	1	35	-1.0	-41.26	296.31	5.52	-35.74
O=C(NC1=NN=N[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL250004601619	0	25	-1.0	-42.13	240.87	3.50	-38.63
O=C(NC1=N[N-]N=N1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL250004601619	1	25	-1.0	-42.07	240.97	3.49	-38.58
CC1=CC(Br)=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004601620	0	26	-1.0	-43.92	250.20	5.57	-38.35
CC1=CC(Br)=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004601620	1	26	-1.0	-43.98	250.10	5.59	-38.39
COC1=CC=C(N2N=C(C(=O)NC3=NN=N[N-]3)C=C2C)C=C1	REAL250004601621	0	34	-1.0	-49.01	297.00	4.68	-44.33
COC1=CC=C(N2N=C(C(=O)NC3=N[N-]N=N3)C=C2C)C=C1	REAL250004601621	1	34	-1.0	-48.91	297.09	4.68	-44.23
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL250004601622	0	30	-1.0	-47.79	280.21	6.89	-40.90
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL250004601622	1	30	-1.0	-47.78	280.15	6.91	-40.87
CC1=CC(F)=C2NC(=O)C=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004601623	0	29	-1.0	-40.32	261.04	3.63	-36.69
CC1=CC(F)=C2NC(=O)C=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004601623	1	29	-1.0	-40.28	261.13	3.63	-36.65
CCC(C)OC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004601624	0	32	-1.0	-44.55	277.55	3.19	-41.36
CCC(C)OC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004601624	1	32	-1.0	-44.51	277.64	3.18	-41.33
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601625	0	37	-1.0	-48.51	310.61	8.27	-40.24
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601625	1	37	-1.0	-48.44	310.71	8.26	-40.18
CC(C)CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(=O)N1	REAL250004601626	0	32	-1.0	-48.19	273.17	3.73	-44.46
CC(C)CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(=O)N1	REAL250004601626	1	32	-1.0	-48.22	273.07	3.74	-44.48
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O=C(NC1=N[N-]N=N1)C1=CC(Br)=NC=C1F	REAL250004601627	1	19	-1.0	-41.37	208.79	2.62	-38.75
CC(=CC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004601628	0	27	-1.0	-46.77	249.94	6.01	-40.76
CC(=CC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004601628	1	27	-1.0	-46.80	249.83	6.02	-40.78
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL250004601629	0	33	-1.0	-40.88	273.69	6.88	-34.00
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COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004601630	0	24	-1.0	-42.50	232.90	3.66	-38.84
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004601630	1	24	-1.0	-42.40	232.99	3.64	-38.76
CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004601631	0	32	-1.0	-55.40	277.64	2.76	-52.64
CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004601631	1	32	-1.0	-55.32	277.74	2.74	-52.58
CCC1=NN(C)C(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004601632	0	26	-1.0	-43.25	253.46	3.15	-40.10
CCC1=NN(C)C(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004601632	1	26	-1.0	-43.27	253.36	3.18	-40.09
N#CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004601633	0	27	-1.0	-45.99	254.39	6.45	-39.54
N#CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004601633	1	27	-1.0	-45.93	254.49	6.44	-39.49
CN(C)S(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CO1	REAL250004601634	0	28	-1.0	-49.23	268.77	-0.18	-49.41
CN(C)S(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CO1	REAL250004601634	1	28	-1.0	-49.11	268.87	-0.18	-49.29
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COC1=CC=C(COCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601637	0	37	-1.0	-49.54	318.58	4.64	-44.90
COC1=CC=C(COCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601637	1	37	-1.0	-49.60	318.48	4.66	-44.94
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004601638	0	29	-1.0	-45.23	272.74	6.34	-38.89
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004601638	1	29	-1.0	-45.16	272.84	6.32	-38.84
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC(C)C	REAL250004601639	0	35	-1.0	-45.01	292.06	5.16	-39.85
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC(C)C	REAL250004601639	1	35	-1.0	-45.11	291.96	5.18	-39.93
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CC(C)NC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601643	0	33	-1.0	-46.32	285.93	3.75	-42.57
CC(C)NC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601643	1	33	-1.0	-46.26	286.03	3.74	-42.52
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COC1=CC2=C(CC(=O)NC3=NN=N[N-]3)C=CC=C2C=C1	REAL250004601646	0	33	-1.0	-50.36	284.06	5.91	-44.45
COC1=CC2=C(CC(=O)NC3=N[N-]N=N3)C=CC=C2C=C1	REAL250004601646	1	33	-1.0	-50.29	284.16	5.89	-44.40
CC(C)(C)OC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601647	0	36	-1.0	-46.45	295.32	6.44	-40.01
CC(C)(C)OC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601647	1	36	-1.0	-46.49	295.23	6.46	-40.03
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CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004601650	0	36	-1.0	-50.35	311.86	6.23	-44.12
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004601650	1	36	-1.0	-50.41	311.76	6.24	-44.17
CC1=CC(F)=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004601651	0	29	-1.0	-42.86	266.74	4.31	-38.55
CC1=CC(F)=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004601651	1	29	-1.0	-42.77	266.84	4.29	-38.48
CCC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004601652	0	29	-1.0	-46.12	262.17	5.64	-40.48
CCC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004601652	1	29	-1.0	-46.04	262.27	5.63	-40.41
COC1=CC=CC(C2=NC(C(=O)NC3=NN=N[N-]3)=C(C)N2)=C1	REAL250004601653	0	34	-1.0	-51.57	297.38	4.10	-47.47
COC1=CC=CC(C2=NC(C(=O)NC3=N[N-]N=N3)=C(C)N2)=C1	REAL250004601653	1	34	-1.0	-51.43	297.53	4.09	-47.34
COC1=CC=CC(C2=NC(C)=C(C(=O)NC3=NN=N[N-]3)N2)=C1	REAL250004601653	1	34	-1.0	-45.23	296.67	4.16	-41.07
COC1=CC=CC(C2=NC(C)=C(C(=O)NC3=N[N-]N=N3)N2)=C1	REAL250004601653	1	34	-1.0	-45.15	296.77	4.15	-41.00
NS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601654	0	24	-1.0	-46.95	237.58	-3.17	-50.12
NS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601654	1	24	-1.0	-46.92	237.68	-3.17	-50.09
COC1=CC=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601655	0	27	-1.0	-39.86	251.23	3.86	-36.00
COC1=CC=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601655	1	27	-1.0	-39.92	251.14	3.88	-36.04
O=C(NC1=NN=N[N-]1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL250004601656	0	31	-1.0	-47.76	275.42	3.81	-43.95
O=C(NC1=N[N-]N=N1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL250004601656	1	31	-1.0	-47.73	275.52	3.80	-43.93
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1O	REAL250004601657	0	29	-1.0	-43.93	256.77	0.86	-43.07
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1O	REAL250004601657	1	29	-1.0	-43.89	256.86	0.85	-43.04
N#CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601658	0	21	-1.0	-42.76	243.46	4.89	-37.87
N#CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601658	1	21	-1.0	-42.70	243.56	4.89	-37.81
O=C(NC1=N[N-]N=N1)C12CCC(CC1Br)C2	REAL250004601659	0	27	-1.0	-46.58	239.45	4.78	-41.80
O=C(NC1=NN=N[N-]1)C12CCC(CC1Br)C2	REAL250004601659	1	27	-1.0	-46.64	239.35	4.79	-41.85
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004601660	0	23	-1.0	-42.05	226.86	4.99	-37.06
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004601660	1	23	-1.0	-42.01	226.95	4.97	-37.04
CC(C)CC1=CC=C(C(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601661	0	38	-1.0	-44.61	309.23	7.70	-36.91
CC(C)CC1=CC=C(C(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601661	1	38	-1.0	-44.67	309.14	7.72	-36.95
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL250004601662	0	20	-1.0	-41.88	214.52	4.44	-37.44
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(Cl)C=C1F	REAL250004601662	1	20	-1.0	-41.79	214.61	4.43	-37.36
CC1=C(C(=O)NC2=NN=N[N-]2)SC(N(C)C)=N1	REAL250004601663	0	27	-1.0	-45.63	248.92	3.34	-42.29
CC1=C(C(=O)NC2=N[N-]N=N2)SC(N(C)C)=N1	REAL250004601663	1	27	-1.0	-45.51	249.03	3.34	-42.17
CCOC(=O)C1=CN=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601664	0	31	-1.0	-41.83	275.58	4.24	-37.59
CCOC(=O)C1=CN=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601664	1	31	-1.0	-41.87	275.48	4.25	-37.62
CC(C(=O)NC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004601665	0	32	-1.0	-43.88	258.58	3.96	-39.92
CC(C(=O)NC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004601665	1	32	-1.0	-43.98	258.50	3.97	-40.01
CN1C(=O)OC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004601666	0	26	-1.0	-60.30	241.07	4.20	-56.10
CN1C(=O)OC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004601666	1	26	-1.0	-60.21	241.17	4.19	-56.02
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCCO2)S1	REAL250004601667	0	27	-1.0	-44.46	253.20	1.93	-42.53
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCCO2)S1	REAL250004601667	1	27	-1.0	-44.60	253.21	1.97	-42.63
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=CC=CN=C21	REAL250004601668	0	25	-1.0	-52.15	232.89	4.69	-47.46
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=CC=CN=C21	REAL250004601668	1	25	-1.0	-52.08	232.99	4.69	-47.39
CC1=NC2=CC=NN2C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004601669	0	28	-1.0	-41.09	252.26	3.68	-37.41
CC1=NC2=CC=NN2C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004601669	1	28	-1.0	-41.04	252.36	3.65	-37.39
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL250004601670	0	26	-1.0	-45.17	251.67	1.90	-43.27
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC(F)F)=N1	REAL250004601670	1	26	-1.0	-45.15	251.77	1.91	-43.24
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL250004601671	0	32	-1.0	-43.55	266.61	0.79	-42.76
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2CCOCC2)=C1	REAL250004601671	1	32	-1.0	-43.50	266.70	0.78	-42.72
CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004601672	0	23	-1.0	-46.44	221.87	4.99	-41.45
CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004601672	1	23	-1.0	-46.36	221.97	4.98	-41.38
O=C(CCCC1=CC(F)=CC=C1F)NC1=N[N-]N=N1	REAL250004601673	0	29	-1.0	-46.57	266.90	6.15	-40.42
O=C(CCCC1=CC(F)=CC=C1F)NC1=NN=N[N-]1	REAL250004601673	1	29	-1.0	-46.65	266.81	6.17	-40.48
COC1=CC=C(CC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601674	0	33	-1.0	-43.82	278.39	5.04	-38.78
COC1=CC=C(CC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601674	1	33	-1.0	-43.87	278.30	5.07	-38.80
CC(C)CC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601675	0	41	-1.0	-45.77	336.24	8.74	-37.03
CC(C)CC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601675	1	41	-1.0	-45.84	336.15	8.76	-37.08
CC1=NOC(C)=C1C(C)CC(=O)NC1=N[N-]N=N1	REAL250004601676	0	31	-1.0	-43.07	258.69	4.31	-38.76
CC1=NOC(C)=C1C(C)CC(=O)NC1=NN=N[N-]1	REAL250004601676	1	31	-1.0	-43.12	258.60	4.32	-38.80
CC(C)(CCC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601677	0	35	-1.0	-45.79	281.08	6.62	-39.17
CC(C)(CCC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601677	1	35	-1.0	-45.86	280.98	6.63	-39.23
COC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004601678	0	37	-1.0	-48.90	312.84	4.70	-44.20
COC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004601678	1	37	-1.0	-48.98	312.74	4.72	-44.26
CCS(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601679	0	29	-1.0	-53.06	269.55	2.22	-50.84
CCS(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601679	1	29	-1.0	-53.03	269.65	2.21	-50.82
CC1=CC=C(S(N)(=O)=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601680	0	28	-1.0	-49.25	251.45	0.73	-48.52
CC1=CC=C(S(N)(=O)=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601680	1	28	-1.0	-49.17	251.54	0.72	-48.45
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2CCCC2)=N1	REAL250004601681	0	30	-1.0	-43.29	259.04	3.75	-39.54
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2CCCC2)=N1	REAL250004601681	1	30	-1.0	-43.22	259.13	3.73	-39.49
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O=C(NC1=NN=N[N-]1)C1CCCN(CC(F)(F)F)C1	REAL250004601682	1	31	-1.0	-44.78	257.64	2.21	-42.57
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CCC(C)N1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1CC1	REAL250004601685	0	36	-1.0	-45.16	297.90	5.60	-39.56
CCC(C)N1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1CC1	REAL250004601685	1	36	-1.0	-45.26	297.81	5.61	-39.65
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CCC1=CSC(N2C=C(C(=O)NC3=N[N-]N=N3)C=N2)=N1	REAL250004601687	1	29	-1.0	-47.09	278.79	4.50	-42.59
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CC(C(=O)NC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004601689	0	26	-1.0	-46.48	235.40	5.02	-41.46
CC(C(=O)NC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004601689	1	26	-1.0	-46.57	235.31	5.03	-41.54
CC(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004601690	0	32	-1.0	-44.03	268.53	6.69	-37.34
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CCC(CC)N1N=C(C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004601696	0	35	-1.0	-48.54	293.66	5.13	-43.41
CCC(CC)N1N=C(C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004601696	1	35	-1.0	-48.59	293.56	5.15	-43.44
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1CCCCC1	REAL250004601697	0	36	-1.0	-48.02	296.28	5.50	-42.52
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1CCCCC1	REAL250004601697	1	36	-1.0	-48.14	296.18	5.52	-42.62
CC(CC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004601698	0	29	-1.0	-44.33	262.74	6.15	-38.18
CC(CC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004601698	1	29	-1.0	-44.39	262.65	6.17	-38.22
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1OCC(F)F	REAL250004601699	0	26	-1.0	-56.41	247.30	2.96	-53.45
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1OCC(F)F	REAL250004601699	1	26	-1.0	-56.33	247.40	2.96	-53.37
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COCC1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004601701	0	26	-1.0	-42.85	247.28	1.32	-41.53
COCC1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004601701	1	26	-1.0	-42.89	247.18	1.33	-41.56
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC(C)=CC=C2)N1	REAL250004601702	0	33	-1.0	-48.48	289.31	5.47	-43.01
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC(C)=CC=C2)N1	REAL250004601702	1	33	-1.0	-48.39	289.46	5.46	-42.93
CC1=C(C(=O)NC2=NN=N[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL250004601702	1	33	-1.0	-43.50	288.60	5.52	-37.98
CC1=C(C(=O)NC2=N[N-]N=N2)NC(C2=CC(C)=CC=C2)=N1	REAL250004601702	1	33	-1.0	-43.51	288.70	5.51	-38.00
COC1=CC=CC=C1SCC(=O)NC1=N[N-]N=N1	REAL250004601703	0	28	-1.0	-48.58	259.37	4.29	-44.29
COC1=CC=CC=C1SCC(=O)NC1=NN=N[N-]1	REAL250004601703	1	28	-1.0	-48.66	259.28	4.29	-44.37
CC(CC1=CC=CC(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL250004601704	0	29	-1.0	-43.01	265.71	6.26	-36.75
CC(CC1=CC=CC(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL250004601704	1	29	-1.0	-43.11	265.62	6.29	-36.82
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CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL250004601706	0	29	-1.0	-44.55	258.51	3.60	-40.95
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL250004601706	1	29	-1.0	-44.62	258.40	3.62	-41.00
CC1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004601707	0	29	-1.0	-48.71	260.33	5.62	-43.09
CC1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004601707	1	29	-1.0	-48.67	260.43	5.60	-43.07
CCS(=O)(=O)C1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601708	0	32	-1.0	-56.23	294.31	2.88	-53.35
CCS(=O)(=O)C1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004601708	1	32	-1.0	-56.29	294.22	2.90	-53.39
CCSC1=CC(Cl)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601709	0	27	-1.0	-44.36	261.30	6.17	-38.19
CCSC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601709	1	27	-1.0	-44.27	261.40	6.17	-38.10
CCC(C(=O)NC1=N[N-]N=N1)C1CCC(C)CC1	REAL250004601710	0	38	-1.0	-45.28	283.80	6.33	-38.95
CCC(C(=O)NC1=NN=N[N-]1)C1CCC(C)CC1	REAL250004601710	1	38	-1.0	-45.31	283.72	6.35	-38.96
CC(C)CN1N=C(C(=O)NC2=N[N-]N=N2)CCC1=O	REAL250004601711	0	33	-1.0	-39.76	280.24	3.48	-36.28
CC(C)CN1N=C(C(=O)NC2=NN=N[N-]2)CCC1=O	REAL250004601711	1	33	-1.0	-39.81	280.14	3.49	-36.32
CC1=CC(C)=C(Br)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601712	0	26	-1.0	-45.75	243.26	5.66	-40.09
CC1=CC(C)=C(Br)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601712	1	26	-1.0	-45.68	243.36	5.65	-40.03
COCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004601713	0	34	-1.0	-47.20	295.16	4.62	-42.58
COCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004601713	1	34	-1.0	-47.17	295.26	4.60	-42.57
O=C(NC1=N[N-]N=N1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL250004601714	0	27	-1.0	-44.38	259.05	6.00	-38.38
O=C(NC1=NN=N[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL250004601714	1	27	-1.0	-44.48	258.96	6.02	-38.46
O=C(C=CC1=CC(F)=C(F)C(F)=C1)NC1=N[N-]N=N1	REAL250004601715	0	24	-1.0	-43.65	241.02	5.18	-38.47
O=C(C=CC1=CC(F)=C(F)C(F)=C1)NC1=NN=N[N-]1	REAL250004601715	1	24	-1.0	-43.71	240.92	5.17	-38.54
COC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Cl	REAL250004601716	0	23	-1.0	-44.57	230.40	1.86	-42.71
COC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Cl	REAL250004601716	1	23	-1.0	-44.48	230.50	1.86	-42.62
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004601717	0	31	-1.0	-48.83	273.27	6.07	-42.76
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004601717	1	31	-1.0	-48.91	273.18	6.08	-42.83
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601718	0	34	-1.0	-48.18	292.27	7.14	-41.04
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601718	1	34	-1.0	-48.21	292.18	7.17	-41.04
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL250004601719	0	27	-1.0	-43.98	258.54	5.02	-38.96
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL250004601719	1	27	-1.0	-43.90	258.64	5.01	-38.89
NC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004601721	0	23	-1.0	-38.38	220.61	1.81	-36.57
NC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004601721	1	23	-1.0	-38.29	220.71	1.80	-36.49
CC(=O)[C@@H]1C[C@H](CC(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004601722	0	34	-1.0	-44.05	275.23	5.09	-38.96
CC(=O)[C@@H]1C[C@H](CC(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004601722	1	34	-1.0	-44.13	275.14	5.10	-39.03
CCC1CCCCC1OCC(=O)NC1=N[N-]N=N1	REAL250004601727	0	36	-1.0	-47.56	284.73	5.82	-41.74
CCC1CCCCC1OCC(=O)NC1=NN=N[N-]1	REAL250004601727	1	36	-1.0	-47.63	284.63	5.82	-41.81
COC1=CC=C(C(=O)C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004601728	0	26	-1.0	-37.45	253.41	3.49	-33.96
COC1=CC=C(C(=O)C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004601728	1	26	-1.0	-37.53	253.32	3.50	-34.03
CN1C=C(N2C=C(C(=O)NC3=NN=N[N-]3)C=CC2=O)C=N1	REAL250004601729	0	30	-1.0	-45.01	267.53	3.63	-41.38
CN1C=C(N2C=C(C(=O)NC3=N[N-]N=N3)C=CC2=O)C=N1	REAL250004601729	1	30	-1.0	-44.89	267.63	3.62	-41.27
CC1=NN(CC(F)F)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004601730	0	29	-1.0	-46.34	270.74	3.69	-42.65
CC1=NN(CC(F)F)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004601730	1	29	-1.0	-46.41	270.64	3.71	-42.70
C=CCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601731	0	32	-1.0	-50.26	278.86	5.12	-45.14
C=CCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601731	1	32	-1.0	-50.16	278.96	5.12	-45.04
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL250004601732	0	31	-1.0	-45.91	271.42	1.06	-44.85
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC2CCOC2)=C1	REAL250004601732	1	31	-1.0	-45.81	271.52	1.05	-44.76
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004601733	0	32	-1.0	-46.48	293.77	7.06	-39.42
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004601733	1	32	-1.0	-46.52	293.68	7.08	-39.44
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004601734	0	24	-1.0	-48.30	235.09	0.49	-47.81
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004601734	1	24	-1.0	-48.24	235.19	0.47	-47.77
CC1=C(C2=CC=CC=C2)NN=C1C(=O)NC1=NN=N[N-]1	REAL250004601735	0	30	-1.0	-45.05	267.71	4.41	-40.64
CC1=C(C2=CC=CC=C2)NN=C1C(=O)NC1=N[N-]N=N1	REAL250004601735	1	30	-1.0	-45.01	267.82	4.41	-40.60
N#CC1=CC=C(C(=O)NCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601736	0	28	-1.0	-43.03	267.29	2.69	-40.34
N#CC1=CC=C(C(=O)NCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601736	1	28	-1.0	-43.12	267.20	2.70	-40.42
CC1=C(Br)C=C(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004601737	0	23	-1.0	-53.35	229.00	2.12	-51.23
CC1=C(Br)C=C(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004601737	1	23	-1.0	-53.41	228.89	2.12	-51.29
CNS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601739	0	31	-1.0	-52.15	288.75	0.64	-51.51
CNS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601739	1	31	-1.0	-52.19	288.66	0.66	-51.53
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004601740	0	27	-1.0	-45.92	265.79	6.44	-39.48
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004601740	1	27	-1.0	-45.96	265.69	6.44	-39.52
CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601741	0	23	-1.0	-42.43	230.11	5.09	-37.34
CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601741	1	23	-1.0	-42.40	230.20	5.07	-37.33
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004601742	0	28	-1.0	-41.69	261.32	5.71	-35.98
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004601742	1	28	-1.0	-41.75	261.22	5.73	-36.02
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601743	0	31	-1.0	-41.32	285.82	6.24	-35.08
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601743	1	31	-1.0	-41.37	285.73	6.26	-35.11
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=N[N-]N=N1	REAL250004601744	0	28	-1.0	-46.45	264.71	4.79	-41.66
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=NN=N[N-]1	REAL250004601744	1	28	-1.0	-46.49	264.62	4.81	-41.68
O=C(NC1=N[N-]N=N1)C1=COC(C2CCOCC2)=N1	REAL250004601745	0	30	-1.0	-43.16	263.38	0.00	-43.16
O=C(NC1=NN=N[N-]1)C1=COC(C2CCOCC2)=N1	REAL250004601745	1	30	-1.0	-43.23	263.28	0.01	-43.22
CNC1=C(C(=O)NC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004601746	0	27	-1.0	-44.64	241.16	3.77	-40.87
CNC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004601746	1	27	-1.0	-44.57	241.26	3.77	-40.80
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL250004601747	0	33	-1.0	-42.01	280.63	3.68	-38.33
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCCC2)N=C1	REAL250004601747	1	33	-1.0	-41.93	280.73	3.66	-38.27
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004601748	0	37	-1.0	-45.53	308.86	2.69	-42.84
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004601748	1	37	-1.0	-45.59	308.77	2.70	-42.89
O=C(NC1=N[N-]N=N1)C1=C(C2CCCC2)N=CS1	REAL250004601749	0	29	-1.0	-43.69	255.91	4.21	-39.48
O=C(NC1=NN=N[N-]1)C1=C(C2CCCC2)N=CS1	REAL250004601749	1	29	-1.0	-43.83	256.00	4.24	-39.59
CC1=NC(C(=O)NC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004601750	0	29	-1.0	-46.30	265.29	2.96	-43.34
CC1=NC(C(=O)NC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004601750	1	29	-1.0	-46.24	265.40	2.95	-43.29
CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004601751	0	26	-1.0	-46.06	238.98	5.55	-40.51
CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004601751	1	26	-1.0	-46.02	239.08	5.52	-40.50
CC(C)C1CC(CC(=O)NC2=N[N-]N=N2)CCO1	REAL250004601752	0	36	-1.0	-43.68	282.03	4.47	-39.21
CC(C)C1CC(CC(=O)NC2=NN=N[N-]2)CCO1	REAL250004601752	1	36	-1.0	-43.75	281.94	4.48	-39.27
CC1=C(C(=O)NCC(=O)NC2=N[N-]N=N2)C=CO1	REAL250004601753	0	27	-1.0	-43.23	248.16	1.08	-42.15
CC1=C(C(=O)NCC(=O)NC2=NN=N[N-]2)C=CO1	REAL250004601753	1	27	-1.0	-43.32	248.07	1.09	-42.23
O=C(CSC1=NN=C2C=CC=CN21)NC1=NN=N[N-]1	REAL250004601754	0	26	-1.0	-49.58	255.88	5.46	-44.12
O=C(CSC1=NN=C2C=CC=CN21)NC1=N[N-]N=N1	REAL250004601754	1	26	-1.0	-49.55	255.98	5.46	-44.09
CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)S2)O1	REAL250004601755	0	27	-1.0	-44.17	264.04	5.54	-38.63
CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)S2)O1	REAL250004601755	1	27	-1.0	-44.09	264.15	5.54	-38.55
CC1(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)COC1	REAL250004601756	0	30	-1.0	-46.90	263.51	0.86	-46.04
CC1(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)COC1	REAL250004601756	1	30	-1.0	-46.80	263.61	0.84	-45.96
COC1=CC2=C(C=C1C(=O)NC1=NN=N[N-]1)OCO2	REAL250004601757	0	27	-1.0	-47.44	240.72	2.98	-44.46
COC1=CC2=C(C=C1C(=O)NC1=N[N-]N=N1)OCO2	REAL250004601757	1	27	-1.0	-47.39	240.82	2.98	-44.41
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1N1C=NN=N1	REAL250004601758	0	29	-1.0	-47.55	262.73	3.54	-44.01
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1N1C=NN=N1	REAL250004601758	1	29	-1.0	-47.49	262.83	3.52	-43.97
CC(C)(C)C(Br)C(=O)NC1=N[N-]N=N1	REAL250004601759	0	25	-1.0	-41.12	222.86	3.68	-37.44
CC(C)(C)C(Br)C(=O)NC1=NN=N[N-]1	REAL250004601759	1	25	-1.0	-41.17	222.76	3.69	-37.48
O=C(NC1=NN=N[N-]1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL250004601762	0	31	-1.0	-46.33	277.01	4.74	-41.59
O=C(NC1=N[N-]N=N1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL250004601762	1	31	-1.0	-46.29	277.11	4.73	-41.56
O=C(CC1=CC=C(O)C=C1)NCC(=O)NC1=N[N-]N=N1	REAL250004601763	0	31	-1.0	-45.03	282.14	0.13	-44.90
O=C(CC1=CC=C(O)C=C1)NCC(=O)NC1=NN=N[N-]1	REAL250004601763	1	31	-1.0	-45.12	282.04	0.14	-44.98
CC1=CC=C(C(=O)NCCC(=O)NC2=N[N-]N=N2)C(O)=C1	REAL250004601764	0	34	-1.0	-55.93	298.86	2.13	-53.80
CC1=CC=C(C(=O)NCCC(=O)NC2=NN=N[N-]2)C(O)=C1	REAL250004601764	1	34	-1.0	-56.01	298.76	2.14	-53.87
CCCCC(ON=C(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601765	0	35	-1.0	-46.87	296.15	5.89	-40.98
CCCCC(ON=C(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601765	1	35	-1.0	-46.93	296.06	5.90	-41.03
CN(C)C1=NC2=CC=CC=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601766	0	33	-1.0	-44.79	277.59	5.82	-38.97
CN(C)C1=NC2=CC=CC=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601766	1	33	-1.0	-44.71	277.69	5.82	-38.89
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004601767	0	36	-1.0	-44.46	292.11	5.49	-38.97
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004601767	1	36	-1.0	-44.56	292.01	5.51	-39.05
COC1=CC=C(CC(C)C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004601768	0	37	-1.0	-45.46	307.65	4.95	-40.51
COC1=CC=C(CC(C)C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004601768	1	37	-1.0	-45.53	307.56	4.97	-40.56
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL250004601769	0	37	-1.0	-43.12	299.83	4.84	-38.28
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL250004601769	1	37	-1.0	-43.04	299.93	4.81	-38.23
CN1C=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=N1	REAL250004601770	0	29	-1.0	-49.82	265.46	5.92	-43.90
CN1C=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=N1	REAL250004601770	1	29	-1.0	-49.70	265.56	5.91	-43.79
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004601771	0	20	-1.0	-43.51	209.92	2.01	-41.50
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004601771	1	20	-1.0	-43.47	210.02	1.99	-41.48
CC(C)(C)OC(=O)NC(CC(=O)NC1=N[N-]N=N1)C1CC1	REAL250004601772	0	40	-1.0	-49.92	320.05	4.57	-45.35
CC(C)(C)OC(=O)NC(CC(=O)NC1=NN=N[N-]1)C1CC1	REAL250004601772	1	40	-1.0	-50.04	319.96	4.58	-45.46
CN1C=C(C2=CC=C(F)C(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004601773	0	30	-1.0	-54.50	272.00	5.20	-49.30
CN1C=C(C2=CC=C(F)C(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004601773	1	30	-1.0	-54.44	272.10	5.17	-49.27
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL250004601774	0	24	-1.0	-54.39	233.92	4.45	-49.94
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL250004601774	1	24	-1.0	-54.32	234.02	4.45	-49.87
CC(C)(C)OC(=O)NCCCCC(=O)NC1=N[N-]N=N1	REAL250004601775	0	39	-1.0	-50.11	321.64	2.82	-47.29
CC(C)(C)OC(=O)NCCCCC(=O)NC1=NN=N[N-]1	REAL250004601775	1	39	-1.0	-50.20	321.55	2.83	-47.37
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004601776	0	34	-1.0	-53.28	303.13	3.30	-49.98
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004601776	1	34	-1.0	-53.37	303.04	3.31	-50.06
COCCN1C=C(C(=O)NC2=N[N-]N=N2)C(C)=N1	REAL250004601777	0	30	-1.0	-46.05	265.83	2.05	-44.00
COCCN1C=C(C(=O)NC2=NN=N[N-]2)C(C)=N1	REAL250004601777	1	30	-1.0	-46.12	265.74	2.08	-44.04
CC1=C(C(=O)NC2=NN=N[N-]2)C(C)N2N=CN=C2N1C	REAL250004601779	0	32	-1.0	-44.62	269.92	6.75	-37.87
CC1=C(C(=O)NC2=N[N-]N=N2)C(C)N2N=CN=C2N1C	REAL250004601779	1	32	-1.0	-44.55	270.02	6.75	-37.80
CC(C(=O)NC1=N[N-]N=N1)N(C)CC(F)(F)F	REAL250004601780	0	27	-1.0	-45.13	236.43	1.47	-43.66
CC(C(=O)NC1=NN=N[N-]1)N(C)CC(F)(F)F	REAL250004601780	1	27	-1.0	-45.21	236.34	1.48	-43.73
O=C(NC1=N[N-]N=N1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004601781	0	31	-1.0	-43.69	269.84	6.96	-36.73
O=C(NC1=NN=N[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004601781	1	31	-1.0	-43.75	269.75	6.97	-36.78
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004601782	0	28	-1.0	-43.88	256.30	5.68	-38.20
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004601782	1	28	-1.0	-43.94	256.21	5.70	-38.24
COC1=CC=C2CCC(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004601783	0	31	-1.0	-47.69	259.55	5.02	-42.67
COC1=CC=C2CCC(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004601783	1	31	-1.0	-47.77	259.46	5.03	-42.74
COC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)C2	REAL250004601784	0	33	-1.0	-48.79	276.41	4.82	-43.97
COC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)C2	REAL250004601784	1	33	-1.0	-48.83	276.32	4.83	-44.00
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004601785	0	38	-1.0	-45.21	311.10	5.80	-39.41
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004601785	1	38	-1.0	-45.29	311.00	5.82	-39.47
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004601786	0	25	-1.0	-41.64	257.96	6.16	-35.48
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004601786	1	25	-1.0	-41.38	257.86	6.16	-35.22
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004601787	0	25	-1.0	-55.46	238.15	4.02	-51.44
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004601787	1	25	-1.0	-55.41	238.25	4.01	-51.40
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601788	0	32	-1.0	-49.31	275.16	5.28	-44.03
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601788	1	32	-1.0	-49.21	275.26	5.28	-43.93
CCCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1CC	REAL250004601789	0	35	-1.0	-45.02	290.03	5.01	-40.01
CCCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1CC	REAL250004601789	1	35	-1.0	-45.11	289.94	5.03	-40.08
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004601791	0	38	-1.0	-44.62	307.60	5.52	-39.10
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004601791	1	38	-1.0	-44.77	307.51	5.55	-39.22
CN1N=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601792	0	20	-1.0	-38.51	209.41	2.04	-36.47
CN1N=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601792	1	20	-1.0	-38.40	209.51	2.04	-36.36
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL250004601793	0	23	-1.0	-37.90	235.04	4.84	-33.06
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL250004601793	1	23	-1.0	-37.85	235.14	4.83	-33.02
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601794	0	38	-1.0	-44.61	309.24	7.70	-36.91
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601794	1	38	-1.0	-44.68	309.15	7.72	-36.96
O=C(CC1=CC=C2NC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004601795	0	27	-1.0	-48.92	247.93	1.30	-47.62
O=C(CC1=CC=C2NC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004601795	1	27	-1.0	-49.04	247.84	1.31	-47.73
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=C1F	REAL250004601796	0	20	-1.0	-48.83	212.55	4.47	-44.36
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=C1F	REAL250004601796	1	20	-1.0	-48.80	212.65	4.46	-44.34
O=C(NC1=N[N-]N=N1)C(F)(F)C1(O)CCCCC1	REAL250004601797	0	30	-1.0	-36.06	246.36	2.91	-33.15
O=C(NC1=NN=N[N-]1)C(F)(F)C1(O)CCCCC1	REAL250004601797	1	30	-1.0	-36.10	246.27	2.94	-33.16
COCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601798	0	34	-1.0	-47.81	297.13	3.97	-43.84
COCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601798	1	34	-1.0	-47.88	297.04	3.99	-43.89
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N(CCO)N=C1	REAL250004601799	0	34	-1.0	-46.28	298.30	2.39	-43.89
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N(CCO)N=C1	REAL250004601799	1	34	-1.0	-46.25	298.40	2.38	-43.87
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)S1	REAL250004601801	0	19	-1.0	-37.53	216.67	3.30	-34.23
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)S1	REAL250004601801	1	19	-1.0	-37.56	216.58	3.32	-34.24
COC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004601802	0	30	-1.0	-45.98	249.66	4.20	-41.78
COC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004601802	1	30	-1.0	-46.05	249.57	4.21	-41.84
O=C(NC1=NN=N[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL250004601803	0	32	-1.0	-42.17	293.37	2.68	-39.49
O=C(NC1=N[N-]N=N1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL250004601803	1	32	-1.0	-42.09	293.47	2.68	-39.41
CC1=C(Br)C=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004601804	0	26	-1.0	-44.66	247.00	5.46	-39.20
CC1=C(Br)C=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004601804	1	26	-1.0	-44.67	246.90	5.48	-39.19
CCC1=NN(C)C(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004601805	0	35	-1.0	-48.53	297.02	4.70	-43.83
CCC1=NN(C)C(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004601805	1	35	-1.0	-48.62	296.93	4.72	-43.90
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004601806	0	30	-1.0	-43.65	276.00	5.29	-38.36
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004601806	1	30	-1.0	-43.76	275.91	5.30	-38.46
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NNC=C2)S1	REAL250004601807	0	24	-1.0	-46.53	241.40	3.03	-43.50
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NNC=C2)S1	REAL250004601807	1	24	-1.0	-46.48	241.50	3.02	-43.46
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1C(F)(F)F	REAL250004601808	0	22	-1.0	-45.68	213.12	3.04	-42.64
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1C(F)(F)F	REAL250004601808	1	22	-1.0	-45.64	213.21	3.03	-42.61
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601810	0	27	-1.0	-45.38	254.43	5.44	-39.94
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601810	1	27	-1.0	-45.43	254.34	5.46	-39.97
O=C(CCOCC(F)(F)C(F)(F)F)NC1=N[N-]N=N1	REAL250004601811	0	26	-1.0	-41.73	257.56	3.12	-38.61
O=C(CCOCC(F)(F)C(F)(F)F)NC1=NN=N[N-]1	REAL250004601811	1	26	-1.0	-41.84	257.46	3.13	-38.71
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL250004601812	0	30	-1.0	-56.91	275.14	5.38	-51.53
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL250004601812	1	30	-1.0	-56.84	275.24	5.37	-51.47
O=C(NC1=N[N-]N=N1)C1C2CCC(O2)C1C(F)(F)F	REAL250004601813	0	28	-1.0	-53.37	238.63	3.32	-50.05
O=C(NC1=NN=N[N-]1)C1C2CCC(O2)C1C(F)(F)F	REAL250004601813	1	28	-1.0	-53.50	238.53	3.34	-50.16
O=C(NC1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250004601814	0	23	-1.0	-47.08	231.81	2.93	-44.15
O=C(NC1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL250004601814	1	23	-1.0	-47.00	231.91	2.92	-44.08
CC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004601815	0	30	-1.0	-46.83	256.68	3.59	-43.24
CC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004601815	1	30	-1.0	-46.75	256.78	3.59	-43.16
CC(=O)NC1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601816	0	30	-1.0	-46.97	259.31	3.38	-43.59
CC(=O)NC1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601816	1	30	-1.0	-46.90	259.41	3.37	-43.53
CC(C)(C)OC(=O)NCCCCCC(=O)NC1=N[N-]N=N1	REAL250004601817	0	42	-1.0	-47.96	343.14	3.60	-44.36
CC(C)(C)OC(=O)NCCCCCC(=O)NC1=NN=N[N-]1	REAL250004601817	1	42	-1.0	-48.03	343.05	3.62	-44.41
CC(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004601818	0	29	-1.0	-42.14	261.21	6.15	-35.99
CC(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004601818	1	29	-1.0	-42.08	261.31	6.14	-35.94
O=C(NC1=NN=N[N-]1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL250004601819	0	32	-1.0	-58.86	270.23	-1.21	-60.07
O=C(NC1=N[N-]N=N1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL250004601819	1	32	-1.0	-58.83	270.33	-1.20	-60.03
CC1C(=O)CCC(C(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004601820	0	34	-1.0	-44.80	256.78	4.23	-40.57
CC1C(=O)CCC(C(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004601820	1	34	-1.0	-44.93	256.69	4.24	-40.69
CCCN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004601821	0	33	-1.0	-44.07	282.30	6.99	-37.08
CCCN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004601821	1	33	-1.0	-43.95	282.39	6.98	-36.97
O=C(CC1CCC2(CC1)OCCO2)NC1=N[N-]N=N1	REAL250004601822	0	35	-1.0	-46.08	277.47	3.62	-42.46
O=C(CC1CCC2(CC1)OCCO2)NC1=NN=N[N-]1	REAL250004601822	1	35	-1.0	-46.17	277.38	3.63	-42.54
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL250004601823	0	30	-1.0	-45.58	276.87	6.52	-39.06
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL250004601823	1	30	-1.0	-45.65	276.77	6.53	-39.12
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CSC=C1	REAL250004601824	0	24	-1.0	-47.79	233.88	2.83	-44.96
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CSC=C1	REAL250004601824	1	24	-1.0	-47.66	233.98	2.82	-44.84
CC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NN2)C=C1C	REAL250004601825	0	33	-1.0	-45.47	286.92	5.00	-40.47
CC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NN2)C=C1C	REAL250004601825	1	33	-1.0	-45.42	287.02	4.99	-40.43
COC1C2CC3CC1CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL250004601826	0	38	-1.0	-47.59	282.69	4.85	-42.74
COC1C2CC3CC1CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004601826	1	38	-1.0	-47.67	282.59	4.85	-42.82
CN1C=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601827	0	30	-1.0	-54.53	270.17	2.90	-51.63
CN1C=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601827	1	30	-1.0	-54.43	270.26	2.88	-51.55
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004601828	0	33	-1.0	-49.43	289.00	6.73	-42.70
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004601828	1	33	-1.0	-49.36	289.10	6.71	-42.65
CCCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004601829	0	29	-1.0	-42.12	264.35	6.37	-35.75
CCCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004601829	1	29	-1.0	-42.08	264.44	6.36	-35.72
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL250004601830	0	26	-1.0	-43.11	261.43	4.03	-39.08
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL250004601830	1	26	-1.0	-43.05	261.53	4.01	-39.04
CN1C=C(C2=NNC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601831	0	27	-1.0	-53.65	247.23	1.58	-52.07
CN1C=C(C2=NNC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601831	1	27	-1.0	-53.54	247.33	1.57	-51.97
O=C(NC1=NN=N[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL250004601832	0	26	-1.0	-46.67	233.30	3.03	-43.64
O=C(NC1=N[N-]N=N1)C1=CNC(=O)C2=CC=CC=C12	REAL250004601832	1	26	-1.0	-46.56	233.40	3.04	-43.52
COC1=CC=C(SCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601833	0	34	-1.0	-47.98	303.31	5.79	-42.19
COC1=CC=C(SCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601833	1	34	-1.0	-48.11	303.22	5.81	-42.30
CN(CC(=O)NC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004601834	0	31	-1.0	-53.11	266.21	-1.47	-54.58
CN(CC(=O)NC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004601834	1	31	-1.0	-53.21	266.11	-1.46	-54.67
COC1=CC=CC(CC(O)C(=O)NC2=N[N-]N=N2)=C1	REAL250004601835	0	31	-1.0	-44.46	272.76	2.45	-42.01
COC1=CC=CC(CC(O)C(=O)NC2=NN=N[N-]2)=C1	REAL250004601835	1	31	-1.0	-44.53	272.67	2.45	-42.08
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004601836	0	34	-1.0	-57.63	282.72	3.90	-53.73
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004601836	1	34	-1.0	-57.68	282.63	3.91	-53.77
CC1C(C(=O)NC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL250004601837	0	40	-1.0	-48.36	314.76	4.49	-43.87
CC1C(C(=O)NC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL250004601837	1	40	-1.0	-48.44	314.64	4.51	-43.93
O=C(CCCC1=CC=C(O)C(F)=C1)NC1=N[N-]N=N1	REAL250004601838	0	30	-1.0	-49.48	272.29	3.29	-46.19
O=C(CCCC1=CC=C(O)C(F)=C1)NC1=NN=N[N-]1	REAL250004601838	1	30	-1.0	-49.54	272.20	3.30	-46.24
CC1=CC=C(Br)N=C1C(=O)NC1=NN=N[N-]1	REAL250004601839	0	22	-1.0	-44.30	222.14	3.27	-41.03
CC1=CC=C(Br)N=C1C(=O)NC1=N[N-]N=N1	REAL250004601839	1	22	-1.0	-44.21	222.23	3.25	-40.96
COC(=O)C1=CC(O)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601840	0	27	-1.0	-48.74	253.18	1.61	-47.13
COC(=O)C1=CC(O)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601840	1	27	-1.0	-48.72	253.28	1.60	-47.12
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC=C1Cl	REAL250004601841	0	19	-1.0	-39.44	212.17	2.95	-36.49
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC=C1Cl	REAL250004601841	1	19	-1.0	-39.37	212.26	2.95	-36.42
O=C(NC1=NN=N[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL250004601842	0	26	-1.0	-42.31	238.39	2.38	-39.93
O=C(NC1=N[N-]N=N1)C1=NNN=C1C1=CC=CC=C1	REAL250004601842	1	26	-1.0	-42.29	238.49	2.36	-39.93
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1N1C=NN=C1	REAL250004601843	0	26	-1.0	-48.76	239.67	4.95	-43.81
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1N1C=NN=C1	REAL250004601843	1	26	-1.0	-48.68	239.77	4.92	-43.76
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2F)CC1	REAL250004601844	0	30	-1.0	-45.77	268.90	6.46	-39.31
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250004601844	1	30	-1.0	-45.90	268.91	6.46	-39.44
COC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1OC	REAL250004601845	0	28	-1.0	-51.22	258.88	3.17	-48.05
COC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1OC	REAL250004601845	1	28	-1.0	-51.15	258.96	3.17	-47.98
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004601846	0	33	-1.0	-44.51	267.75	6.43	-38.08
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004601846	1	33	-1.0	-44.50	267.85	6.43	-38.07
COC1=CC=C(OC)C(C2CC2C(=O)NC2=N[N-]N=N2)=C1	REAL250004601847	0	35	-1.0	-48.37	297.92	4.45	-43.92
COC1=CC=C(OC)C(C2CC2C(=O)NC2=NN=N[N-]2)=C1	REAL250004601847	1	35	-1.0	-48.49	297.82	4.47	-44.02
COC1=CC(C(=O)NC2=NN=N[N-]2)=CN=C1Br	REAL250004601848	0	23	-1.0	-40.10	232.63	1.87	-38.23
COC1=CC(C(=O)NC2=N[N-]N=N2)=CN=C1Br	REAL250004601848	1	23	-1.0	-40.00	232.73	1.87	-38.13
COCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601849	0	35	-1.0	-53.15	299.58	3.77	-49.38
COCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601849	1	35	-1.0	-53.10	299.68	3.77	-49.33
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OCC2CC2)=C1	REAL250004601850	0	35	-1.0	-50.59	297.63	6.11	-44.48
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OCC2CC2)=C1	REAL250004601850	1	35	-1.0	-50.51	297.73	6.11	-44.40
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL250004601851	0	29	-1.0	-50.26	261.25	5.90	-44.36
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL250004601851	1	29	-1.0	-50.34	261.16	5.91	-44.43
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004601852	0	26	-1.0	-47.16	251.43	4.64	-42.52
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004601852	1	26	-1.0	-47.04	251.53	4.64	-42.40
CC(C)(CC(=O)NC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004601853	0	35	-1.0	-44.84	294.63	7.30	-37.54
CC(C)(CC(=O)NC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004601853	1	35	-1.0	-44.95	294.54	7.31	-37.64
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL250004601854	0	23	-1.0	-45.24	234.29	5.35	-39.89
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL250004601854	1	23	-1.0	-45.18	234.38	5.33	-39.85
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004601855	0	26	-1.0	-47.84	246.68	4.55	-43.29
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004601855	1	26	-1.0	-47.82	246.78	4.54	-43.28
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004601856	0	38	-1.0	-46.65	309.35	3.45	-43.20
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004601856	1	38	-1.0	-46.70	309.25	3.45	-43.25
COC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004601857	0	31	-1.0	-47.54	282.19	4.35	-43.19
COC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004601857	1	31	-1.0	-47.48	282.29	4.34	-43.14
CC1=CC2=C(C=C1C)C(C(=O)NC1=N[N-]N=N1)CO2	REAL250004601858	0	31	-1.0	-45.16	262.65	4.66	-40.50
CC1=CC2=C(C=C1C)C(C(=O)NC1=NN=N[N-]1)CO2	REAL250004601858	1	31	-1.0	-45.24	262.56	4.67	-40.57
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=N1	REAL250004601859	0	23	-1.0	-46.11	223.88	1.61	-44.50
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=N1	REAL250004601859	1	23	-1.0	-46.05	223.98	1.60	-44.45
CC1=C(Br)SC=C1C(=O)NC1=NN=N[N-]1	REAL250004601860	0	20	-1.0	-42.38	215.31	4.08	-38.30
CC1=C(Br)SC=C1C(=O)NC1=N[N-]N=N1	REAL250004601860	1	20	-1.0	-42.32	215.41	4.07	-38.25
O=C(NC1=N[N-]N=N1)C1=CC(O)=CC=C1C(F)(F)F	REAL250004601861	0	24	-1.0	-48.53	228.66	1.95	-46.58
O=C(NC1=NN=N[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL250004601861	1	24	-1.0	-48.57	228.56	1.96	-46.61
COC1=C(C(=O)NC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004601862	0	24	-1.0	-40.44	226.33	-0.78	-41.22
COC1=C(C(=O)NC2=N[N-]N=N2)NC(=O)NC1=O	REAL250004601862	1	24	-1.0	-40.39	226.43	-0.78	-41.17
CC1=CC=C(N2C=NN=C2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601863	0	29	-1.0	-52.99	258.34	7.48	-45.51
CC1=CC=C(N2C=NN=C2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601863	1	29	-1.0	-52.88	258.43	7.46	-45.42
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004601864	0	26	-1.0	-40.42	246.15	4.44	-35.98
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250004601864	1	26	-1.0	-40.36	246.24	4.44	-35.92
CC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N=C1C	REAL250004601865	0	30	-1.0	-41.54	257.81	3.82	-37.72
CC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N=C1C	REAL250004601865	1	30	-1.0	-41.47	257.90	3.81	-37.66
O=C(NC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004601866	0	30	-1.0	-49.92	274.32	5.47	-44.45
O=C(NC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004601866	1	30	-1.0	-49.88	274.43	5.46	-44.42
C=CCSC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601867	0	28	-1.0	-48.45	257.40	6.23	-42.22
C=CCSC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601867	1	28	-1.0	-48.45	257.50	6.22	-42.23
O=C(NC1=N[N-]N=N1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL250004601868	0	31	-1.0	-47.75	277.20	-0.92	-48.67
O=C(NC1=NN=N[N-]1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL250004601868	1	31	-1.0	-47.82	277.10	-0.90	-48.72
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004601869	0	26	-1.0	-44.89	251.64	5.65	-39.24
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004601869	1	26	-1.0	-44.92	251.55	5.67	-39.25
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004601870	0	30	-1.0	-48.80	269.89	6.44	-42.36
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004601870	1	30	-1.0	-48.86	269.83	6.46	-42.40
O=C(CCCCN1CCOCC1)NC1=N[N-]N=N1	REAL250004601871	0	35	-1.0	-45.30	283.47	1.53	-43.77
O=C(CCCCN1CCOCC1)NC1=NN=N[N-]1	REAL250004601871	1	35	-1.0	-45.37	283.37	1.55	-43.82
CS(=O)C1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004601872	0	28	-1.0	-54.03	259.84	2.92	-51.11
CS(=O)C1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004601872	1	28	-1.0	-54.08	259.75	2.94	-51.14
CSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004601873	0	26	-1.0	-60.46	253.94	6.66	-53.80
CSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004601873	1	26	-1.0	-60.40	254.04	6.64	-53.76
CC(=O)CCC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004601874	0	35	-1.0	-50.63	308.65	6.45	-44.18
CC(=O)CCC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004601874	1	35	-1.0	-50.70	308.56	6.46	-44.24
COC1=CC=C(OC)C(NC(=O)C(=O)NC2=N[N-]N=N2)=C1	REAL250004601875	0	32	-1.0	-43.16	282.13	0.75	-42.41
COC1=CC=C(OC)C(NC(=O)C(=O)NC2=NN=N[N-]2)=C1	REAL250004601875	1	32	-1.0	-43.26	282.04	0.76	-42.50
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004601876	0	23	-1.0	-41.66	231.66	4.86	-36.80
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004601876	1	23	-1.0	-41.61	231.75	4.85	-36.76
CC(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004601877	0	31	-1.0	-47.24	272.40	6.30	-40.94
CC(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004601877	1	31	-1.0	-47.20	272.50	6.28	-40.92
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004601878	0	30	-1.0	-44.75	275.95	6.86	-37.89
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004601878	1	30	-1.0	-44.82	275.89	6.87	-37.95
O=C(CC1=CC=C(Br)C=C1O)NC1=N[N-]N=N1	REAL250004601879	0	24	-1.0	-47.76	243.28	2.30	-45.46
O=C(CC1=CC=C(Br)C=C1O)NC1=NN=N[N-]1	REAL250004601879	1	24	-1.0	-47.82	243.18	2.32	-45.50
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004601880	0	38	-1.0	-46.66	309.31	3.44	-43.22
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004601880	1	38	-1.0	-46.68	309.22	3.45	-43.23
O=C(NC1=N[N-]N=N1)C1COCCN1C1CCCC1	REAL250004601881	0	36	-1.0	-44.08	275.41	1.62	-42.46
O=C(NC1=NN=N[N-]1)C1COCCN1C1CCCC1	REAL250004601881	1	36	-1.0	-44.16	275.32	1.63	-42.53
O=C(NC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL250004601882	0	19	-1.0	-43.01	215.65	1.91	-41.10
O=C(NC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL250004601882	1	19	-1.0	-42.96	215.75	1.90	-41.06
CN(C)C1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1	REAL250004601883	0	34	-1.0	-44.31	284.69	5.67	-38.64
CN(C)C1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1	REAL250004601883	1	34	-1.0	-44.43	284.59	5.68	-38.75
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601884	0	36	-1.0	-40.88	289.73	2.04	-38.84
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601884	1	36	-1.0	-40.93	289.64	2.06	-38.87
COCCOC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004601885	0	35	-1.0	-48.92	306.99	4.48	-44.44
COCCOC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004601885	1	35	-1.0	-49.05	306.89	4.49	-44.56
CC(C(=O)NC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004601886	0	33	-1.0	-46.63	284.34	6.84	-39.79
CC(C(=O)NC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004601886	1	33	-1.0	-46.61	284.43	6.82	-39.79
COC1=CC(C)=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004601887	0	27	-1.0	-42.84	248.87	4.34	-38.50
COC1=CC(C)=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004601887	1	27	-1.0	-42.76	248.97	4.33	-38.43
CC1=COC(C2=CC=CC=C2)=C1C(=O)NC1=NN=N[N-]1	REAL250004601888	0	30	-1.0	-49.63	269.42	5.97	-43.66
CC1=COC(C2=CC=CC=C2)=C1C(=O)NC1=N[N-]N=N1	REAL250004601888	1	30	-1.0	-49.52	269.52	5.97	-43.55
CCOC1=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004601889	0	34	-1.0	-51.39	293.96	4.80	-46.59
CCOC1=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004601889	1	34	-1.0	-51.36	294.05	4.79	-46.57
O=C(NC1=NN=N[N-]1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250004601890	0	22	-1.0	-47.56	218.41	2.37	-45.19
O=C(NC1=N[N-]N=N1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250004601890	1	22	-1.0	-47.47	218.51	2.38	-45.09
CC(C)(C)C1=CN=C(CCC(=O)NC2=N[N-]N=N2)O1	REAL250004601891	0	34	-1.0	-44.51	292.03	2.74	-41.77
CC(C)(C)C1=CN=C(CCC(=O)NC2=NN=N[N-]2)O1	REAL250004601891	1	34	-1.0	-44.53	291.94	2.75	-41.78
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC2CC2)=N1	REAL250004601892	0	29	-1.0	-41.97	266.71	4.59	-37.38
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC2CC2)=N1	REAL250004601892	1	29	-1.0	-42.11	266.60	4.60	-37.51
CC1=C(C)C=C2C(C(=O)NC3=NN=N[N-]3)=COC2=C1	REAL250004601893	0	29	-1.0	-49.28	255.09	5.36	-43.92
CC1=C(C)C=C2C(C(=O)NC3=N[N-]N=N3)=COC2=C1	REAL250004601893	1	29	-1.0	-49.16	255.19	5.35	-43.81
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004601894	0	24	-1.0	-40.23	242.22	2.84	-37.39
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004601894	1	24	-1.0	-40.37	242.13	2.85	-37.52
COCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601895	0	31	-1.0	-47.83	284.81	3.83	-44.00
COCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601895	1	31	-1.0	-47.76	284.90	3.83	-43.93
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004601896	0	32	-1.0	-46.94	293.77	7.06	-39.88
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004601896	1	32	-1.0	-47.03	293.68	7.07	-39.96
O=C(NC1=NN=N[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL250004601897	0	26	-1.0	-42.20	255.05	5.38	-36.82
O=C(NC1=N[N-]N=N1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL250004601897	1	26	-1.0	-42.15	255.15	5.38	-36.77
CCCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004601898	0	33	-1.0	-44.45	294.18	6.13	-38.32
CCCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004601898	1	33	-1.0	-44.37	294.27	6.14	-38.23
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601899	0	32	-1.0	-52.35	286.91	2.82	-49.53
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601899	1	32	-1.0	-52.23	287.01	2.80	-49.43
O=C(CCC1=CC=CC2=C1OCO2)NC1=N[N-]N=N1	REAL250004601900	0	29	-1.0	-46.88	259.61	3.93	-42.95
O=C(CCC1=CC=CC2=C1OCO2)NC1=NN=N[N-]1	REAL250004601900	1	29	-1.0	-46.93	259.51	3.95	-42.98
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601901	0	30	-1.0	-45.87	278.88	-0.14	-46.01
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601901	1	30	-1.0	-45.77	278.98	-0.14	-45.91
CNS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601902	0	27	-1.0	-46.23	260.00	-1.96	-48.19
CNS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601902	1	27	-1.0	-46.14	260.10	-1.96	-48.10
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004601903	0	23	-1.0	-44.75	227.27	3.84	-40.91
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004601903	1	23	-1.0	-44.68	227.37	3.83	-40.85
CCSCC1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004601904	0	26	-1.0	-43.56	254.33	3.99	-39.57
CCSCC1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004601904	1	26	-1.0	-43.62	254.24	4.00	-39.62
O=C(NC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL250004601905	0	21	-1.0	-38.45	218.10	2.21	-36.24
O=C(NC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)N=C1	REAL250004601905	1	21	-1.0	-38.41	218.20	2.20	-36.21
CN(C)C1=NOC(CCC(=O)NC2=N[N-]N=N2)=N1	REAL250004601906	0	29	-1.0	-45.18	261.68	3.07	-42.11
CN(C)C1=NOC(CCC(=O)NC2=NN=N[N-]2)=N1	REAL250004601906	1	29	-1.0	-45.25	261.59	3.08	-42.17
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC(F)=C2)CCC1	REAL250004601907	0	33	-1.0	-47.09	284.40	6.85	-40.24
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL250004601907	1	33	-1.0	-47.20	284.31	6.87	-40.33
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004601908	0	36	-1.0	-45.56	303.78	7.03	-38.53
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004601908	1	36	-1.0	-45.45	303.90	7.02	-38.43
CC(C)(C)OCC1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004601909	0	32	-1.0	-42.96	277.97	3.06	-39.90
CC(C)(C)OCC1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004601909	1	32	-1.0	-43.01	277.87	3.07	-39.94
O=C(NC1=N[N-]N=N1)C1(CCOCC2=CC=CC=C2)CC1	REAL250004601910	0	37	-1.0	-46.80	320.41	6.51	-40.29
O=C(NC1=NN=N[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL250004601910	1	37	-1.0	-46.88	320.32	6.52	-40.36
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004601911	0	28	-1.0	-50.35	256.00	5.31	-45.04
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL250004601911	1	28	-1.0	-50.31	256.10	5.31	-45.00
O=C(NC1=N[N-]N=N1)C1CCCN1C(=O)C(F)(F)F	REAL250004601912	0	27	-1.0	-51.35	250.86	2.58	-48.77
O=C(NC1=NN=N[N-]1)C1CCCN1C(=O)C(F)(F)F	REAL250004601912	1	27	-1.0	-51.42	250.76	2.60	-48.82
O=C(NC1=N[N-]N=N1)C1CC12CCS(=O)(=O)CC2	REAL250004601913	0	30	-1.0	-53.66	261.97	1.33	-52.33
O=C(NC1=NN=N[N-]1)C1CC12CCS(=O)(=O)CC2	REAL250004601913	1	30	-1.0	-53.78	261.87	1.34	-52.44
NS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004601914	0	24	-1.0	-49.81	237.87	-3.15	-52.96
NS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004601914	1	24	-1.0	-49.74	237.97	-3.15	-52.89
CC(C(=O)NC1=N[N-]N=N1)C1CN(C(=O)OC(C)(C)C)C1	REAL250004601916	0	40	-1.0	-48.13	325.61	4.38	-43.75
CC(C(=O)NC1=NN=N[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL250004601916	1	40	-1.0	-48.21	325.51	4.40	-43.81
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=N[N-]N=N1	REAL250004601917	0	36	-1.0	-44.89	307.76	8.70	-36.19
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=NN=N[N-]1	REAL250004601917	1	36	-1.0	-44.92	307.67	8.71	-36.21
CC1=CC=C(C2=CNC=C2C(=O)NC2=NN=N[N-]2)S1	REAL250004601918	0	28	-1.0	-53.67	263.64	5.26	-48.41
CC1=CC=C(C2=CNC=C2C(=O)NC2=N[N-]N=N2)S1	REAL250004601918	1	28	-1.0	-53.58	263.73	5.24	-48.34
CCN1C=C(C2=NNC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601919	0	30	-1.0	-53.61	268.78	2.47	-51.14
CCN1C=C(C2=NNC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601919	1	30	-1.0	-53.52	268.87	2.46	-51.06
O=C(CCCCCC1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004601920	0	35	-1.0	-46.55	304.45	7.70	-38.85
O=C(CCCCCC1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004601920	1	35	-1.0	-46.58	304.36	7.71	-38.87
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL250004601921	0	23	-1.0	-40.46	242.84	5.32	-35.14
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL250004601921	1	23	-1.0	-40.38	242.94	5.30	-35.08
CC12CC3(C)CC(C)(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004601922	0	43	-1.0	-44.39	312.84	7.19	-37.20
CC12CC3(C)CC(C)(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004601922	1	43	-1.0	-44.47	312.75	7.19	-37.28
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=C1Cl	REAL250004601923	0	28	-1.0	-47.23	261.19	4.24	-42.99
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=C1Cl	REAL250004601923	1	28	-1.0	-47.11	261.27	4.24	-42.87
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC2=N[N-]N=N2)C1	REAL250004601924	0	40	-1.0	-54.88	321.24	4.57	-50.31
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC2=NN=N[N-]2)C1	REAL250004601924	1	40	-1.0	-54.91	321.15	4.57	-50.34
CC(C)(C)C1=NN=C2C=CC(C(=O)NC3=NN=N[N-]3)=CN21	REAL250004601925	0	34	-1.0	-43.19	284.66	6.17	-37.02
CC(C)(C)C1=NN=C2C=CC(C(=O)NC3=N[N-]N=N3)=CN21	REAL250004601925	1	34	-1.0	-43.10	284.76	6.16	-36.94
CCCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004601926	0	37	-1.0	-49.93	308.95	6.11	-43.82
CCCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004601926	1	37	-1.0	-49.83	309.05	6.11	-43.72
COC1=CC=C(F)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004601927	0	27	-1.0	-46.24	246.87	3.89	-42.35
COC1=CC=C(F)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004601927	1	27	-1.0	-46.32	246.77	3.91	-42.41
O=C(CC1(CSC2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL250004601928	0	34	-1.0	-45.74	299.72	7.64	-38.10
O=C(CC1(CSC2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL250004601928	1	34	-1.0	-45.80	299.63	7.65	-38.15
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004601929	0	30	-1.0	-48.66	267.21	5.65	-43.01
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004601929	1	30	-1.0	-48.55	267.31	5.63	-42.92
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004601930	0	34	-1.0	-46.36	303.16	6.74	-39.62
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004601930	1	34	-1.0	-46.42	303.06	6.75	-39.67
O=C(NC1=NN=N[N-]1)C1=CNC2=C(F)C=C(F)C=C2C1=O	REAL250004601931	0	26	-1.0	-51.42	248.26	4.09	-47.33
O=C(NC1=N[N-]N=N1)C1=CNC2=C(F)C=C(F)C=C2C1=O	REAL250004601931	1	26	-1.0	-51.31	248.36	4.08	-47.23
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004601932	0	26	-1.0	-45.35	249.29	2.28	-43.07
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004601932	1	26	-1.0	-45.26	249.39	2.27	-42.99
CCN1C=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601933	0	33	-1.0	-54.52	291.66	3.78	-50.74
CCN1C=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601933	1	33	-1.0	-54.43	291.75	3.76	-50.67
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004601934	0	31	-1.0	-45.75	271.35	5.64	-40.11
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004601934	1	31	-1.0	-45.73	271.44	5.63	-40.10
COC(=O)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601935	0	29	-1.0	-50.89	264.36	5.23	-45.66
COC(=O)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601935	1	29	-1.0	-50.80	264.46	5.22	-45.58
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL250004601936	0	26	-1.0	-49.00	242.45	4.69	-44.31
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NNC=N2)C=C1	REAL250004601936	1	26	-1.0	-48.92	242.55	4.67	-44.25
COC1=CC2=CC=C([C@H](C)C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004601937	0	36	-1.0	-48.13	303.32	6.56	-41.57
COC1=CC2=CC=C([C@H](C)C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004601937	1	36	-1.0	-48.21	303.22	6.58	-41.63
CC(NC(=O)CC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601938	0	35	-1.0	-40.75	283.88	2.72	-38.03
CC(NC(=O)CC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601938	1	35	-1.0	-40.81	283.78	2.74	-38.07
CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004601939	0	34	-1.0	-45.65	293.35	5.96	-39.69
CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004601939	1	34	-1.0	-45.75	293.25	5.96	-39.79
CC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004601940	0	37	-1.0	-45.49	311.27	6.58	-38.91
CC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004601940	1	37	-1.0	-45.54	311.17	6.58	-38.96
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NC1=N[N-]N=N1	REAL250004601941	0	27	-1.0	-44.08	267.01	3.94	-40.14
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NC1=NN=N[N-]1	REAL250004601941	1	27	-1.0	-44.14	266.92	3.96	-40.18
CC1=NC=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004601942	0	21	-1.0	-40.48	218.10	2.45	-38.03
CC1=NC=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004601942	1	21	-1.0	-40.55	218.01	2.45	-38.10
O=C(NC1=N[N-]N=N1)C1=COC(C2CCCCC2)=N1	REAL250004601943	0	32	-1.0	-42.49	272.44	2.40	-40.09
O=C(NC1=NN=N[N-]1)C1=COC(C2CCCCC2)=N1	REAL250004601943	1	32	-1.0	-42.55	272.35	2.41	-40.14
O=C(CNC(=O)C1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004601944	0	27	-1.0	-42.44	257.44	2.44	-40.00
O=C(CNC(=O)C1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004601944	1	27	-1.0	-42.51	257.34	2.45	-40.06
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NC1=NN=N[N-]1	REAL250004601945	0	30	-1.0	-54.01	270.54	3.92	-50.09
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NC1=N[N-]N=N1	REAL250004601945	1	30	-1.0	-53.96	270.64	3.91	-50.05
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=C(Cl)S1	REAL250004601946	0	24	-1.0	-47.16	251.68	3.59	-43.57
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=C(Cl)S1	REAL250004601946	1	24	-1.0	-47.06	251.78	3.57	-43.49
CC1=CN(C2=C(C(=O)NC3=NN=N[N-]3)C(C)=NN2C)N=C1	REAL250004601947	0	33	-1.0	-53.74	292.43	4.60	-49.14
CC1=CN(C2=C(C(=O)NC3=N[N-]N=N3)C(C)=NN2C)N=C1	REAL250004601947	1	33	-1.0	-53.68	292.53	4.59	-49.09
O=C(CNC(=O)C1=CC=CC(O)=C1)NC1=N[N-]N=N1	REAL250004601948	0	28	-1.0	-43.99	257.51	-0.56	-44.55
O=C(CNC(=O)C1=CC=CC(O)=C1)NC1=NN=N[N-]1	REAL250004601948	1	28	-1.0	-44.08	257.42	-0.55	-44.63
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NC1=N[N-]N=N1	REAL250004601949	0	27	-1.0	-40.79	259.31	2.43	-38.36
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NC1=NN=N[N-]1	REAL250004601949	1	27	-1.0	-40.91	259.22	2.44	-38.47
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NC1=N[N-]N=N1	REAL250004601950	0	27	-1.0	-42.40	259.18	2.42	-39.98
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NC1=NN=N[N-]1	REAL250004601950	1	27	-1.0	-42.48	259.09	2.43	-40.05
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NC1=N[N-]N=N1	REAL250004601951	0	31	-1.0	-43.11	284.51	3.32	-39.79
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NC1=NN=N[N-]1	REAL250004601951	1	31	-1.0	-43.18	284.42	3.33	-39.85
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004601952	0	27	-1.0	-46.22	272.27	2.63	-43.59
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004601952	1	27	-1.0	-46.30	272.17	2.64	-43.66
C=CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601953	0	33	-1.0	-44.53	284.06	6.99	-37.54
C=CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601953	1	33	-1.0	-44.44	284.15	6.98	-37.46
O=C(NC1=N[N-]N=N1)C1COCCN1CC(F)F	REAL250004601954	0	29	-1.0	-43.10	237.80	-0.16	-43.26
O=C(NC1=NN=N[N-]1)C1COCCN1CC(F)F	REAL250004601954	1	29	-1.0	-43.12	237.71	-0.14	-43.26
N#CC(=CC1=CC=C(O)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004601955	0	26	-1.0	-43.84	248.36	2.26	-41.58
N#CC(=CC1=CC=C(O)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004601955	1	26	-1.0	-43.75	248.46	2.26	-41.49
O=C(NC1=NN=N[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL250004601956	0	23	-1.0	-48.96	231.28	4.78	-44.18
O=C(NC1=N[N-]N=N1)C1=CN2C(=S)NN=C2C=C1	REAL250004601956	1	23	-1.0	-48.90	231.38	4.78	-44.12
N#CC1=CC=CC(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL250004601957	0	28	-1.0	-54.35	269.62	5.36	-48.99
N#CC1=CC=CC(N2C=CC(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL250004601957	1	28	-1.0	-54.26	269.72	5.36	-48.90
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601958	0	36	-1.0	-42.17	312.06	4.62	-37.55
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601958	1	36	-1.0	-42.23	311.97	4.64	-37.59
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004601959	0	30	-1.0	-47.50	273.61	5.71	-41.79
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004601959	1	30	-1.0	-47.43	273.71	5.70	-41.73
O=C(NC1=N[N-]N=N1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL250004601960	0	26	-1.0	-43.74	254.61	5.51	-38.23
O=C(NC1=NN=N[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL250004601960	1	26	-1.0	-43.81	254.51	5.52	-38.29
CCC(C)(C)C1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004601961	0	44	-1.0	-43.59	307.97	7.01	-36.58
CCC(C)(C)C1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004601961	1	44	-1.0	-43.66	307.87	7.02	-36.64
COC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004601962	0	29	-1.0	-49.74	260.86	3.30	-46.44
COC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004601962	1	29	-1.0	-49.68	260.96	3.29	-46.39
CC(C)(CC(=O)NC1=N[N-]N=N1)CC(=O)C1=CC=CC=C1	REAL250004601963	0	37	-1.0	-52.43	297.66	6.92	-45.51
CC(C)(CC(=O)NC1=NN=N[N-]1)CC(=O)C1=CC=CC=C1	REAL250004601963	1	37	-1.0	-52.50	297.57	6.93	-45.57
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=N[N-]N=N1	REAL250004601964	0	30	-1.0	-54.71	264.23	2.36	-52.35
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=NN=N[N-]1	REAL250004601964	1	30	-1.0	-54.75	264.14	2.37	-52.38
O=C(NC1=N[N-]N=N1)C1=CN=C(C2OCCO2)S1	REAL250004601965	0	25	-1.0	-44.93	243.22	0.59	-44.34
O=C(NC1=NN=N[N-]1)C1=CN=C(C2OCCO2)S1	REAL250004601965	1	25	-1.0	-45.00	243.12	0.60	-44.40
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NC1CCCCC1	REAL250004601966	0	38	-1.0	-44.87	298.58	6.33	-38.54
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NC1CCCCC1	REAL250004601966	1	38	-1.0	-44.81	298.69	6.34	-38.47
CC(C)(C)C1=NN=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004601967	0	27	-1.0	-41.61	252.84	2.39	-39.22
CC(C)(C)C1=NN=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004601967	1	27	-1.0	-41.52	252.95	2.38	-39.14
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004601968	0	29	-1.0	-43.91	266.81	6.02	-37.89
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004601968	1	29	-1.0	-43.96	266.72	6.04	-37.92
CC1=CC=C2OC(C(=O)NC3=N[N-]N=N3)CCC2=C1	REAL250004601969	0	31	-1.0	-47.71	265.55	6.11	-41.60
CC1=CC=C2OC(C(=O)NC3=NN=N[N-]3)CCC2=C1	REAL250004601969	1	31	-1.0	-47.79	265.46	6.13	-41.66
CCN1N=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C21	REAL250004601970	0	31	-1.0	-43.77	269.96	4.49	-39.28
CCN1N=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C21	REAL250004601970	1	31	-1.0	-43.73	270.06	4.49	-39.24
CC(O)(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601971	0	33	-1.0	-43.09	280.85	3.38	-39.71
CC(O)(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601971	1	33	-1.0	-43.13	280.75	3.40	-39.73
COC1=C(C(=O)NC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004601972	0	26	-1.0	-49.61	240.37	5.38	-44.23
COC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004601972	1	26	-1.0	-49.58	240.44	5.37	-44.21
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004601973	0	33	-1.0	-44.54	277.51	7.04	-37.50
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004601973	1	33	-1.0	-44.64	277.42	7.06	-37.58
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL250004601974	0	25	-1.0	-43.77	239.97	4.78	-38.99
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C2=NC=CC=C12	REAL250004601974	1	25	-1.0	-43.70	240.06	4.77	-38.93
COCCOC1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004601975	0	30	-1.0	-46.40	267.44	1.47	-44.93
COCCOC1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004601975	1	30	-1.0	-46.35	267.54	1.47	-44.88
CCOC(=O)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004601976	0	30	-1.0	-45.19	275.84	5.73	-39.46
CCOC(=O)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004601976	1	30	-1.0	-45.09	275.94	5.73	-39.36
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004601977	0	30	-1.0	-42.96	274.98	5.01	-37.95
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004601977	1	30	-1.0	-42.88	275.08	5.01	-37.87
CC1=CC=CC(OC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=C1	REAL250004601978	0	34	-1.0	-53.10	297.05	8.49	-44.61
CC1=CC=CC(OC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=C1	REAL250004601978	1	34	-1.0	-53.07	297.15	8.47	-44.60
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1OC1=CC=NC=C1	REAL250004601979	0	30	-1.0	-51.15	269.37	6.01	-45.14
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1OC1=CC=NC=C1	REAL250004601979	1	30	-1.0	-51.20	269.27	6.03	-45.17
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)F)CC1	REAL250004601980	0	31	-1.0	-45.41	251.22	2.08	-43.33
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)F)CC1	REAL250004601980	1	31	-1.0	-45.48	251.13	2.10	-43.38
O=C(NC1=N[N-]N=N1)C1C2C3CC4C5CC(C2C35)C41	REAL250004601981	0	33	-1.0	-45.42	247.30	6.04	-39.38
O=C(NC1=NN=N[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL250004601981	1	33	-1.0	-45.46	247.20	6.05	-39.41
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004601982	0	30	-1.0	-49.30	271.00	6.00	-43.30
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004601982	1	30	-1.0	-49.25	271.10	5.99	-43.26
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004601983	0	30	-1.0	-51.46	271.14	6.03	-45.43
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004601983	1	30	-1.0	-51.42	271.25	6.02	-45.40
CC1=NN(C)C(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004601984	0	23	-1.0	-42.78	236.16	2.51	-40.27
CC1=NN(C)C(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004601984	1	23	-1.0	-42.82	236.06	2.53	-40.29
CC(SC1=CC=CC=C1C(=O)NC1=NN=N[N-]1)C(N)=O	REAL250004601985	0	31	-1.0	-60.24	277.04	2.21	-58.03
CC(SC1=CC=CC=C1C(=O)NC1=N[N-]N=N1)C(N)=O	REAL250004601985	1	31	-1.0	-60.18	277.13	2.20	-57.98
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC1=N[N-]N=N1	REAL250004601986	0	31	-1.0	-53.88	275.15	4.89	-48.99
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC1=NN=N[N-]1	REAL250004601986	1	31	-1.0	-53.97	275.06	4.90	-49.07
CC1=C(F)C=CC(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL250004601987	0	23	-1.0	-43.67	231.71	4.65	-39.02
CC1=C(F)C=CC(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL250004601987	1	23	-1.0	-43.60	231.81	4.65	-38.95
COC1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004601988	0	27	-1.0	-53.09	245.55	3.43	-49.66
COC1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004601988	1	27	-1.0	-53.01	245.66	3.41	-49.60
CC(C)C(NC(=O)C(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004601989	0	38	-1.0	-40.42	300.85	3.36	-37.06
CC(C)C(NC(=O)C(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004601989	1	38	-1.0	-40.53	300.76	3.38	-37.15
CC(C)(COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004601990	0	36	-1.0	-42.43	303.93	5.92	-36.51
CC(C)(COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004601990	1	36	-1.0	-42.45	303.84	5.93	-36.52
O=C(NC1=NN=N[N-]1)C1=C(C2(O)CCOCC2)OC=C1	REAL250004601991	0	32	-1.0	-46.94	266.52	1.44	-45.50
O=C(NC1=N[N-]N=N1)C1=C(C2(O)CCOCC2)OC=C1	REAL250004601991	1	32	-1.0	-46.86	266.62	1.42	-45.44
CC(C)C(CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004601992	0	42	-1.0	-50.28	331.89	4.04	-46.24
CC(C)C(CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004601992	1	42	-1.0	-50.38	331.80	4.05	-46.33
CC1=C(C(=O)NC2=NN=N[N-]2)CN2N=NN=C2N1C	REAL250004601993	0	28	-1.0	-42.17	239.68	3.93	-38.24
CC1=C(C(=O)NC2=N[N-]N=N2)CN2N=NN=C2N1C	REAL250004601993	1	28	-1.0	-42.12	239.78	3.92	-38.20
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL250004601994	0	25	-1.0	-51.95	234.99	1.90	-50.05
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CN=N2)=C1	REAL250004601994	1	25	-1.0	-51.86	235.09	1.90	-49.96
O=C(NC1=NN=N[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL250004601995	0	23	-1.0	-45.05	251.35	5.25	-39.80
O=C(NC1=N[N-]N=N1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL250004601995	1	23	-1.0	-44.97	251.45	5.24	-39.73
CN1C=C(OC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004601996	0	31	-1.0	-52.38	278.08	5.53	-46.85
CN1C=C(OC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004601996	1	31	-1.0	-52.33	278.18	5.52	-46.81
COC1=CC=CC=C1N1N=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004601997	0	34	-1.0	-48.87	294.39	4.91	-43.96
COC1=CC=CC=C1N1N=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004601997	1	34	-1.0	-48.76	294.49	4.90	-43.86
NC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Cl	REAL250004601998	0	23	-1.0	-47.88	231.97	-0.69	-48.57
NC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Cl	REAL250004601998	1	23	-1.0	-47.82	232.07	-0.71	-48.53
NC1=C(F)C=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004601999	0	22	-1.0	-38.51	219.39	2.64	-35.87
NC1=C(F)C=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004601999	1	22	-1.0	-38.43	219.49	2.63	-35.80
CCC(O)(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004602000	0	30	-1.0	-41.83	268.60	3.04	-38.79
CCC(O)(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004602000	1	30	-1.0	-41.88	268.51	3.06	-38.82
CCC1=NC2=CC=CC=C2C(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004602001	0	34	-1.0	-45.37	289.15	5.69	-39.68
CCC1=NC2=CC=CC=C2C(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004602001	1	34	-1.0	-45.33	289.25	5.69	-39.64
O=C(NC1=NN=N[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004602002	0	23	-1.0	-45.03	235.47	4.00	-41.03
O=C(NC1=N[N-]N=N1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004602002	1	23	-1.0	-44.98	235.57	3.99	-40.99
CC1=CC=C2C(C(=O)NC3=NN=N[N-]3)=CSC2=C1	REAL250004602003	0	26	-1.0	-47.13	243.17	5.78	-41.35
CC1=CC=C2C(C(=O)NC3=N[N-]N=N3)=CSC2=C1	REAL250004602003	1	26	-1.0	-47.01	243.27	5.77	-41.24
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004602004	0	31	-1.0	-56.04	270.97	4.92	-51.12
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004602004	1	31	-1.0	-56.07	270.88	4.93	-51.14
CC1=CC(=O)N(CC(C)(O)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602005	0	33	-1.0	-50.37	280.74	1.59	-48.78
CC1=CC(=O)N(CC(C)(O)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602005	1	33	-1.0	-50.43	280.64	1.61	-48.82
CN(C)C1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004602006	0	30	-1.0	-44.35	272.04	5.18	-39.17
CN(C)C1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004602006	1	30	-1.0	-44.30	272.14	5.16	-39.14
NC1=NC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004602007	0	23	-1.0	-51.67	224.01	2.47	-49.20
NC1=NC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004602007	1	23	-1.0	-51.58	224.10	2.45	-49.13
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL250004602008	0	24	-1.0	-42.46	243.79	4.12	-38.34
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL250004602008	1	24	-1.0	-42.40	243.89	4.12	-38.28
CN1CC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004602009	0	31	-1.0	-51.78	266.57	4.53	-47.25
CN1CC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004602009	1	31	-1.0	-51.66	266.67	4.52	-47.14
O=C(NC1=NN=N[N-]1)C1=CNC=C1C1=CC=CC=C1F	REAL250004602010	0	28	-1.0	-56.01	259.55	5.39	-50.62
O=C(NC1=N[N-]N=N1)C1=CNC=C1C1=CC=CC=C1F	REAL250004602010	1	28	-1.0	-55.96	259.69	5.37	-50.59
CCCCCCCCCC(C)CC(=O)NC1=N[N-]N=N1	REAL250004602011	0	46	-1.0	-43.52	359.08	8.95	-34.57
CCCCCCCCCC(C)CC(=O)NC1=NN=N[N-]1	REAL250004602011	1	46	-1.0	-43.57	358.99	8.96	-34.61
CC(CC(=O)NC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004602012	0	33	-1.0	-47.72	281.56	5.85	-41.87
CC(CC(=O)NC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004602012	1	33	-1.0	-47.78	281.47	5.86	-41.92
O=C(NC1=NN=N[N-]1)C1=CC(O)=C2C=CSC2=C1	REAL250004602013	0	24	-1.0	-45.30	235.14	2.34	-42.96
O=C(NC1=N[N-]N=N1)C1=CC(O)=C2C=CSC2=C1	REAL250004602013	1	24	-1.0	-45.22	235.24	2.33	-42.89
NC1=C(Cl)C=CC(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004602014	0	22	-1.0	-43.16	226.99	2.84	-40.32
NC1=C(Cl)C=CC(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004602014	1	22	-1.0	-43.12	227.08	2.83	-40.29
O=C(NC1=N[N-]N=N1)C1=CC=C(NCC2CC2)N=C1	REAL250004602015	0	31	-1.0	-44.29	270.26	4.05	-40.24
O=C(NC1=NN=N[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL250004602015	1	31	-1.0	-44.36	270.16	4.05	-40.31
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CC2)=N1	REAL250004602016	0	26	-1.0	-42.46	243.49	3.79	-38.67
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CC2)=N1	REAL250004602016	1	26	-1.0	-42.55	243.39	3.80	-38.75
O=C(CC1=C(Br)C(=O)NC=C1)NC1=N[N-]N=N1	REAL250004602017	0	23	-1.0	-52.92	234.03	1.88	-51.04
O=C(CC1=C(Br)C(=O)NC=C1)NC1=NN=N[N-]1	REAL250004602017	1	23	-1.0	-52.98	233.94	1.90	-51.08
COC1=CC=CC(C(C)CCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004602018	0	39	-1.0	-46.69	320.31	6.47	-40.22
COC1=CC=CC(C(C)CCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004602018	1	39	-1.0	-46.77	320.22	6.49	-40.28
CC1=CC(F)=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004602019	0	29	-1.0	-42.81	272.56	4.25	-38.56
CC1=CC(F)=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004602019	1	29	-1.0	-42.71	272.67	4.23	-38.48
CC1=NC2=C(CCCC2C(=O)NC2=N[N-]N=N2)S1	REAL250004602020	0	29	-1.0	-47.38	256.61	4.52	-42.86
CC1=NC2=C(CCCC2C(=O)NC2=NN=N[N-]2)S1	REAL250004602020	1	29	-1.0	-47.43	256.52	4.54	-42.89
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL250004602021	0	28	-1.0	-46.96	268.88	5.67	-41.29
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL250004602021	1	28	-1.0	-46.87	268.98	5.66	-41.21
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC(C)=C(C)C=C21	REAL250004602022	0	32	-1.0	-44.33	280.11	7.05	-37.28
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC(C)=C(C)C=C21	REAL250004602022	1	32	-1.0	-44.24	280.21	7.04	-37.20
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=N[N-]N=N1	REAL250004602023	0	33	-1.0	-45.11	276.87	7.06	-38.05
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=NN=N[N-]1	REAL250004602023	1	33	-1.0	-45.18	276.77	7.07	-38.11
CSC1=C(F)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602024	0	24	-1.0	-46.96	233.17	4.95	-42.01
CSC1=C(F)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602024	1	24	-1.0	-46.87	233.27	4.94	-41.93
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1CC1=CC=CC=C1	REAL250004602025	0	33	-1.0	-48.20	280.36	5.59	-42.61
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1CC1=CC=CC=C1	REAL250004602025	1	33	-1.0	-48.09	280.44	5.57	-42.52
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004602026	0	31	-1.0	-45.23	249.68	3.93	-41.30
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004602026	1	31	-1.0	-45.29	249.59	3.95	-41.34
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC(OC)=C1O	REAL250004602027	0	32	-1.0	-50.04	281.62	1.48	-48.56
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC(OC)=C1O	REAL250004602027	1	32	-1.0	-50.07	281.53	1.50	-48.57
O=C(NC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1	REAL250004602028	0	29	-1.0	-42.68	250.68	4.96	-37.72
O=C(NC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1	REAL250004602028	1	29	-1.0	-42.76	250.59	4.98	-37.78
CC(=O)NC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004602029	0	30	-1.0	-46.80	265.07	3.56	-43.24
CC(=O)NC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004602029	1	30	-1.0	-46.87	264.98	3.58	-43.29
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1CC1	REAL250004602030	0	31	-1.0	-45.69	264.87	5.27	-40.42
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1CC1	REAL250004602030	1	31	-1.0	-45.59	264.97	5.26	-40.33
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OCCO	REAL250004602031	0	32	-1.0	-49.02	279.25	0.88	-48.14
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OCCO	REAL250004602031	1	32	-1.0	-48.93	279.35	0.86	-48.07
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL250004602032	0	26	-1.0	-44.17	234.42	6.11	-38.06
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CC=C12	REAL250004602032	1	26	-1.0	-44.09	234.52	6.11	-37.98
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=COC=C2)=N1	REAL250004602033	0	27	-1.0	-49.86	248.64	3.24	-46.62
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=COC=C2)=N1	REAL250004602033	1	27	-1.0	-49.79	248.74	3.22	-46.57
CC(=O)N[C@H](CC1CCC1)C(=O)NC1=N[N-]N=N1	REAL250004602034	0	33	-1.0	-54.24	270.77	3.97	-50.27
CC(=O)N[C@H](CC1CCC1)C(=O)NC1=NN=N[N-]1	REAL250004602034	1	33	-1.0	-54.28	270.67	3.98	-50.30
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004602035	0	26	-1.0	-47.92	244.03	3.21	-44.71
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004602035	1	26	-1.0	-47.98	243.93	3.21	-44.77
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(S(N)(=O)=O)O1	REAL250004602036	0	25	-1.0	-47.34	245.72	-2.42	-49.76
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(S(N)(=O)=O)O1	REAL250004602036	1	25	-1.0	-47.26	245.82	-2.43	-49.69
CC1=CC(OCC(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004602037	0	29	-1.0	-47.78	265.25	5.51	-42.27
CC1=CC(OCC(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004602037	1	29	-1.0	-47.85	265.16	5.52	-42.33
CC1=CC=CN=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004602038	0	25	-1.0	-46.00	230.87	3.96	-42.04
CC1=CC=CN=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004602038	1	25	-1.0	-45.99	230.96	3.95	-42.04
CSC1=CC=CC(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004602039	0	24	-1.0	-52.89	236.55	4.63	-48.26
CSC1=CC=CC(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004602039	1	24	-1.0	-52.83	236.65	4.61	-48.22
CC(C)CC(=O)NC(CC(N)=O)C(=O)NC1=N[N-]N=N1	REAL250004602040	0	36	-1.0	-53.72	306.14	-0.66	-54.38
CC(C)CC(=O)NC(CC(N)=O)C(=O)NC1=NN=N[N-]1	REAL250004602040	1	36	-1.0	-53.77	306.05	-0.64	-54.41
C[Si](C)(C)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602041	0	35	-1.0	-47.06	305.01	8.97	-38.09
C[Si](C)(C)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602041	1	35	-1.0	-47.14	304.92	8.98	-38.16
COC(=O)[C@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004602042	0	32	-1.0	-45.20	267.95	4.68	-40.52
COC(=O)[C@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004602042	1	32	-1.0	-45.25	267.86	4.70	-40.55
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004602043	0	24	-1.0	-41.48	249.51	5.60	-35.88
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004602043	1	24	-1.0	-41.54	249.42	5.62	-35.92
CC1=NC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=NO1	REAL250004602044	0	30	-1.0	-47.22	278.46	0.04	-47.18
CC1=NC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=NO1	REAL250004602044	1	30	-1.0	-47.27	278.35	0.07	-47.20
CC1=NC(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=NO1	REAL250004602045	0	27	-1.0	-49.15	261.63	-0.52	-49.67
CC1=NC(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=NO1	REAL250004602045	1	27	-1.0	-49.22	261.53	-0.50	-49.72
CCSC1=NC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004602046	0	25	-1.0	-47.18	239.35	2.33	-44.85
CCSC1=NC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004602046	1	25	-1.0	-47.11	239.44	2.33	-44.78
CCC1=C(Br)C(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004602047	0	23	-1.0	-45.68	232.51	2.17	-43.51
CCC1=C(Br)C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004602047	1	23	-1.0	-45.74	232.41	2.17	-43.57
O=C(CC1=CC=CN=C1Br)NC1=N[N-]N=N1	REAL250004602048	0	22	-1.0	-47.80	224.91	3.07	-44.73
O=C(CC1=CC=CN=C1Br)NC1=NN=N[N-]1	REAL250004602048	1	22	-1.0	-47.83	224.81	3.09	-44.74
CC(C(=O)NC1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL250004602049	0	32	-1.0	-47.35	277.16	5.63	-41.72
CC(C(=O)NC1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL250004602049	1	32	-1.0	-47.26	277.25	5.61	-41.65
CN1N=CC2=C1N(C)C=C(C(=O)NC1=NN=N[N-]1)C2=O	REAL250004602050	0	29	-1.0	-57.81	253.55	3.80	-54.01
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004602051	0	26	-1.0	-60.75	243.86	4.92	-55.83
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004602051	1	26	-1.0	-60.71	243.96	4.89	-55.82
CN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004602052	0	27	-1.0	-55.53	248.49	5.56	-49.97
CN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004602052	1	27	-1.0	-55.39	248.59	5.55	-49.84
N#CCCCN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004602053	0	34	-1.0	-62.70	306.40	7.67	-55.03
N#CCCCN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004602053	1	34	-1.0	-62.61	306.50	7.66	-54.95
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004602054	0	31	-1.0	-45.00	268.17	4.98	-40.02
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004602054	1	31	-1.0	-44.91	268.27	4.97	-39.94
O=C(NC1=N[N-]N=N1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL250004602055	0	28	-1.0	-55.96	269.31	5.20	-50.76
O=C(NC1=NN=N[N-]1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL250004602055	1	28	-1.0	-55.99	269.21	5.21	-50.78
O=C(NC1=NN=N[N-]1)C1=NC(C2=CC=CC=C2)=CS1	REAL250004602056	0	26	-1.0	-49.24	252.93	4.51	-44.73
O=C(NC1=N[N-]N=N1)C1=NC(C2=CC=CC=C2)=CS1	REAL250004602056	1	26	-1.0	-49.17	253.03	4.49	-44.68
CS(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602057	0	28	-1.0	-56.45	264.36	3.06	-53.39
CS(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602057	1	28	-1.0	-56.57	264.27	3.08	-53.49
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004602058	0	26	-1.0	-50.21	248.32	3.42	-46.79
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004602058	1	26	-1.0	-50.10	248.42	3.40	-46.70
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004602059	0	30	-1.0	-51.02	270.79	7.05	-43.97
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004602059	1	30	-1.0	-51.12	270.69	7.06	-44.06
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NC1=NN=N[N-]1	REAL250004602060	0	29	-1.0	-63.82	267.02	4.83	-58.99
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NC1=N[N-]N=N1	REAL250004602060	1	29	-1.0	-63.75	267.12	4.81	-58.94
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004602061	0	24	-1.0	-40.50	229.83	2.69	-37.81
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004602061	1	24	-1.0	-40.38	229.93	2.69	-37.69
CCOC1=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N1	REAL250004602062	0	30	-1.0	-48.80	267.68	1.21	-47.59
CCOC1=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N1	REAL250004602062	1	30	-1.0	-48.71	267.78	1.20	-47.51
O=C(NC1=NN=N[N-]1)C1=C(Br)OC=C1	REAL250004602063	0	17	-1.0	-44.06	189.82	2.49	-41.57
O=C(NC1=N[N-]N=N1)C1=C(Br)OC=C1	REAL250004602063	1	17	-1.0	-44.01	189.92	2.47	-41.54
N#CC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004602064	0	27	-1.0	-42.80	266.96	5.18	-37.62
N#CC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004602064	1	27	-1.0	-42.72	267.05	5.17	-37.55
O=C(NC1=N[N-]N=N1)C1CCCN1C1=CC=CC=C1	REAL250004602065	0	32	-1.0	-43.00	259.29	3.85	-39.15
O=C(NC1=NN=N[N-]1)C1CCCN1C1=CC=CC=C1	REAL250004602065	1	32	-1.0	-43.04	259.20	3.87	-39.17
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NC1=N[N-]N=N1	REAL250004602066	0	34	-1.0	-56.18	289.47	5.59	-50.59
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NC1=NN=N[N-]1	REAL250004602066	1	34	-1.0	-56.26	289.38	5.60	-50.66
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1Cl	REAL250004602067	0	23	-1.0	-48.84	226.82	4.94	-43.90
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1Cl	REAL250004602067	1	23	-1.0	-48.81	226.92	4.94	-43.87
CC1=NN(CC(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004602068	0	33	-1.0	-52.43	291.72	6.04	-46.39
CC1=NN(CC(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004602068	1	33	-1.0	-52.46	291.63	6.05	-46.41
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC1=N[N-]N=N1	REAL250004602069	0	33	-1.0	-49.51	282.73	7.23	-42.28
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC1=NN=N[N-]1	REAL250004602069	1	33	-1.0	-49.55	282.64	7.25	-42.30
O=C(NC1=NN=N[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL250004602070	0	24	-1.0	-48.89	227.94	2.33	-46.56
O=C(NC1=N[N-]N=N1)C1=CC2=NC=CN=C2C=C1F	REAL250004602070	1	24	-1.0	-48.85	228.04	2.31	-46.54
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1CCCC1	REAL250004602071	0	35	-1.0	-44.42	284.22	3.85	-40.57
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1CCCC1	REAL250004602071	1	35	-1.0	-44.50	284.11	3.87	-40.63
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL250004602072	0	32	-1.0	-45.55	272.26	3.45	-42.10
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CCOC2)C=C1	REAL250004602072	1	32	-1.0	-45.43	272.36	3.45	-41.98
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602073	0	42	-1.0	-45.06	327.55	4.82	-40.24
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602073	1	42	-1.0	-45.12	327.45	4.84	-40.28
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004602074	0	28	-1.0	-48.53	253.86	3.89	-44.64
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004602074	1	28	-1.0	-48.50	253.96	3.90	-44.60
CC(C)NC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004602075	0	41	-1.0	-56.57	320.64	3.14	-53.43
CC(C)NC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004602075	1	41	-1.0	-56.67	320.54	3.17	-53.50
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C=N1	REAL250004602076	0	26	-1.0	-46.13	240.78	4.47	-41.66
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL250004602076	1	26	-1.0	-46.23	240.68	4.47	-41.76
CC1=CC=CC(Cl)=C1CC(=O)NC1=N[N-]N=N1	REAL250004602077	0	26	-1.0	-44.68	243.29	5.40	-39.28
CC1=CC=CC(Cl)=C1CC(=O)NC1=NN=N[N-]1	REAL250004602077	1	26	-1.0	-44.75	243.19	5.42	-39.33
CN(C)C(C(=O)NC1=N[N-]N=N1)C1=CN=CN1C	REAL250004602078	0	31	-1.0	-43.81	251.88	2.55	-41.26
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=CN=CN1C	REAL250004602078	1	31	-1.0	-43.92	251.85	2.56	-41.36
CCNC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602079	0	28	-1.0	-42.17	255.31	4.32	-37.85
CCNC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602079	1	28	-1.0	-42.10	255.42	4.32	-37.78
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004602080	0	27	-1.0	-54.22	250.04	5.33	-48.89
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004602080	1	27	-1.0	-54.09	250.22	5.32	-48.77
CC1(C)COC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004602081	0	31	-1.0	-52.32	263.26	5.65	-46.67
CC1(C)COC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004602081	1	31	-1.0	-52.27	263.36	5.65	-46.62
O=C(CC1=CC=CC(Cl)=C1Cl)NC1=N[N-]N=N1	REAL250004602082	0	23	-1.0	-45.97	241.21	5.34	-40.63
O=C(CC1=CC=CC(Cl)=C1Cl)NC1=NN=N[N-]1	REAL250004602082	1	23	-1.0	-46.08	241.12	5.36	-40.72
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL250004602083	0	26	-1.0	-44.33	244.35	4.53	-39.80
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=CN=C1Cl	REAL250004602083	1	26	-1.0	-44.22	244.45	4.53	-39.69
NC(=O)C1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004602084	0	30	-1.0	-52.95	259.53	2.02	-50.93
NC(=O)C1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004602084	1	30	-1.0	-52.98	259.44	2.04	-50.94
O=C(NC1=N[N-]N=N1)C1(C2CCCCC2)CCCCC1	REAL250004602085	0	42	-1.0	-49.32	294.37	7.63	-41.69
O=C(NC1=NN=N[N-]1)C1(C2CCCCC2)CCCCC1	REAL250004602085	1	42	-1.0	-49.38	294.26	7.65	-41.73
O=C(CN1C=CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004602086	0	29	-1.0	-54.63	262.66	5.37	-49.26
O=C(CN1C=CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004602086	1	29	-1.0	-54.73	262.57	5.38	-49.35
CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=N[N-]N=N1	REAL250004602087	0	36	-1.0	-43.66	288.61	7.30	-36.36
CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=NN=N[N-]1	REAL250004602087	1	36	-1.0	-43.71	288.52	7.31	-36.40
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NC1=NN=N[N-]1	REAL250004602088	0	31	-1.0	-54.07	280.16	6.44	-47.63
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NC1=N[N-]N=N1	REAL250004602088	1	31	-1.0	-54.00	280.25	6.44	-47.56
O=C(CCOCC(F)(F)C(F)F)NC1=N[N-]N=N1	REAL250004602089	0	26	-1.0	-44.49	251.82	3.01	-41.48
O=C(CCOCC(F)(F)C(F)F)NC1=NN=N[N-]1	REAL250004602089	1	26	-1.0	-44.59	251.73	3.02	-41.57
CC(C)(C(=O)NC1=N[N-]N=N1)C1CCC(O)CC1	REAL250004602090	0	36	-1.0	-47.37	266.94	2.42	-44.95
CC(C)(C(=O)NC1=NN=N[N-]1)C1CCC(O)CC1	REAL250004602090	1	36	-1.0	-47.48	266.85	2.43	-45.05
O=C(NC1=N[N-]N=N1)C1CCCC2=C(O)C=CC=C21	REAL250004602091	0	31	-1.0	-44.96	259.03	3.43	-41.53
O=C(NC1=NN=N[N-]1)C1CCCC2=C(O)C=CC=C21	REAL250004602091	1	31	-1.0	-45.02	258.95	3.45	-41.57
COCCOC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602092	0	37	-1.0	-53.36	294.71	3.12	-50.24
COCCOC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602092	1	37	-1.0	-53.44	294.61	3.14	-50.30
COC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C(F)C=C1	REAL250004602093	0	28	-1.0	-44.73	257.15	3.10	-41.63
COC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C(F)C=C1	REAL250004602093	1	28	-1.0	-44.60	257.25	3.09	-41.51
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2C)=NO1	REAL250004602094	0	32	-1.0	-44.67	280.32	6.25	-38.42
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2C)=NO1	REAL250004602094	1	32	-1.0	-44.59	280.42	6.24	-38.35
CC1=C(C(C)C)N=C(CC(=O)NC2=N[N-]N=N2)S1	REAL250004602095	0	31	-1.0	-47.38	279.51	4.21	-43.17
CC1=C(C(C)C)N=C(CC(=O)NC2=NN=N[N-]2)S1	REAL250004602095	1	31	-1.0	-47.45	279.42	4.23	-43.22
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NC1=N[N-]N=N1	REAL250004602096	0	40	-1.0	-50.49	324.25	4.72	-45.77
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NC1=NN=N[N-]1	REAL250004602096	1	40	-1.0	-50.57	324.16	4.74	-45.83
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NC1=N[N-]N=N1	REAL250004602097	0	29	-1.0	-48.77	272.04	5.41	-43.36
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NC1=NN=N[N-]1	REAL250004602097	1	29	-1.0	-48.85	271.95	5.42	-43.43
CC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N1C	REAL250004602098	0	29	-1.0	-48.17	255.10	4.93	-43.24
CC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N1C	REAL250004602098	1	29	-1.0	-48.09	255.20	4.92	-43.17
CC(C)(C#N)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602099	0	30	-1.0	-47.60	263.95	5.76	-41.84
CC(C)(C#N)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602099	1	30	-1.0	-47.55	264.05	5.74	-41.81
CC(C)(CC(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004602100	0	38	-1.0	-42.36	274.74	6.09	-36.27
CC(C)(CC(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004602100	1	38	-1.0	-42.44	274.64	6.10	-36.34
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NC2=N[N-]N=N2)C1	REAL250004602102	0	38	-1.0	-55.10	315.23	4.42	-50.68
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NC2=NN=N[N-]2)C1	REAL250004602102	1	38	-1.0	-55.14	315.14	4.43	-50.71
CN1N=C(C(F)F)C2=C1SC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004602103	0	26	-1.0	-45.23	263.53	3.73	-41.50
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602104	0	33	-1.0	-49.32	284.48	7.18	-42.14
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602104	1	33	-1.0	-49.40	284.38	7.20	-42.20
CC1=CC=CC(=O)N1CC(C)(O)C(=O)NC1=N[N-]N=N1	REAL250004602105	0	33	-1.0	-49.05	269.99	1.65	-47.40
CC1=CC=CC(=O)N1CC(C)(O)C(=O)NC1=NN=N[N-]1	REAL250004602105	1	33	-1.0	-49.09	269.90	1.66	-47.43
CC(C)CN1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004602106	0	36	-1.0	-51.67	299.53	7.74	-43.93
CC(C)CN1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004602106	1	36	-1.0	-51.48	300.07	7.74	-43.74
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL250004602107	0	25	-1.0	-45.46	237.72	5.13	-40.33
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C(=O)O1	REAL250004602107	1	25	-1.0	-45.40	237.82	5.13	-40.27
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=N1	REAL250004602108	0	19	-1.0	-47.70	208.44	2.03	-45.67
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=N1	REAL250004602108	1	19	-1.0	-47.65	208.54	2.02	-45.63
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)NC1=N[N-]N=N1	REAL250004602109	0	33	-1.0	-46.47	298.52	5.35	-41.12
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)NC1=NN=N[N-]1	REAL250004602109	1	33	-1.0	-46.54	298.41	5.37	-41.17
N#CC1=CC=C(CC(C#N)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602110	0	28	-1.0	-44.32	272.11	5.78	-38.54
N#CC1=CC=C(CC(C#N)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602110	1	28	-1.0	-44.40	272.02	5.80	-38.60
O=C(NC1=NN=N[N-]1)C1=NN(C2CCCCC2)C=C1	REAL250004602111	0	33	-1.0	-46.74	274.66	4.84	-41.90
O=C(NC1=N[N-]N=N1)C1=NN(C2CCCCC2)C=C1	REAL250004602111	1	33	-1.0	-46.68	274.76	4.83	-41.85
COC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)=C1	REAL250004602112	0	32	-1.0	-52.50	285.05	4.38	-48.12
COC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)=C1	REAL250004602112	1	32	-1.0	-52.51	284.95	4.40	-48.11
O=C(CCSCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004602113	0	30	-1.0	-43.05	278.24	6.65	-36.40
O=C(CCSCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004602113	1	30	-1.0	-43.16	278.14	6.66	-36.50
CC1=CSC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004602114	0	20	-1.0	-44.21	216.63	4.05	-40.16
CC1=CSC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004602114	1	20	-1.0	-44.08	216.73	4.03	-40.05
CCCOC1=NC(C)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602115	0	32	-1.0	-49.99	277.38	4.05	-45.94
CCCOC1=NC(C)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602115	1	32	-1.0	-49.92	277.48	4.05	-45.87
O=C(NC1=NN=N[N-]1)C1=NC(Br)=CC=C1F	REAL250004602116	0	19	-1.0	-46.45	210.64	2.66	-43.79
O=C(NC1=N[N-]N=N1)C1=NC(Br)=CC=C1F	REAL250004602116	1	19	-1.0	-46.40	210.74	2.66	-43.74
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1Br	REAL250004602117	0	19	-1.0	-46.76	200.91	2.70	-44.06
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1Br	REAL250004602117	1	19	-1.0	-46.66	201.01	2.70	-43.96
CC(C)(C)OC(=O)C1=NOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004602118	0	33	-1.0	-46.38	287.42	4.10	-42.28
CC(C)(C)OC(=O)C1=NOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004602118	1	33	-1.0	-46.45	287.32	4.12	-42.33
O=C(CC1=CC=CC(C(F)F)=C1)NC1=N[N-]N=N1	REAL250004602119	0	26	-1.0	-48.07	246.31	5.40	-42.67
O=C(CC1=CC=CC(C(F)F)=C1)NC1=NN=N[N-]1	REAL250004602119	1	26	-1.0	-48.18	246.22	5.42	-42.76
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL250004602120	0	27	-1.0	-50.23	250.48	3.34	-46.89
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CN=C2)=NO1	REAL250004602120	1	27	-1.0	-50.15	250.57	3.32	-46.83
O=C(NC1=N[N-]N=N1)C1=NNC(Br)=C1	REAL250004602122	0	17	-1.0	-41.81	192.07	0.75	-41.06
O=C(NC1=NN=N[N-]1)C1=NNC(Br)=C1	REAL250004602122	1	17	-1.0	-41.88	191.97	0.77	-41.11
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004602123	0	26	-1.0	-41.25	238.88	5.57	-35.68
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004602123	1	26	-1.0	-41.14	238.98	5.57	-35.57
CCC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004602124	0	32	-1.0	-43.68	288.79	6.25	-37.43
CCC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004602124	1	32	-1.0	-43.67	288.88	6.24	-37.43
O=C(NC1CCC(C(=O)NC2=N[N-]N=N2)CC1)C1CC1	REAL250004602125	0	37	-1.0	-50.59	304.06	3.96	-46.63
O=C(NC1CCC(C(=O)NC2=NN=N[N-]2)CC1)C1CC1	REAL250004602125	1	37	-1.0	-50.70	303.96	3.98	-46.72
N#CCC(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602126	0	30	-1.0	-49.92	266.94	6.00	-43.92
N#CCC(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602126	1	30	-1.0	-49.95	266.84	6.01	-43.94
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C21	REAL250004602127	0	25	-1.0	-44.34	241.02	3.98	-40.36
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(Cl)C=C21	REAL250004602127	1	25	-1.0	-44.40	240.93	3.99	-40.41
O=C(NC1=NN=N[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL250004602128	0	27	-1.0	-44.22	243.91	5.23	-38.99
O=C(NC1=N[N-]N=N1)C1=CC=NN1C1=CC=CC=C1	REAL250004602128	1	27	-1.0	-44.14	244.00	5.21	-38.93
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C1	REAL250004602129	0	28	-1.0	-45.45	245.32	1.47	-43.98
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C1	REAL250004602129	1	28	-1.0	-45.50	245.23	1.48	-44.02
CCSCC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602131	0	30	-1.0	-46.49	267.88	6.56	-39.93
CCSCC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602131	1	30	-1.0	-46.34	267.97	6.56	-39.78
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL250004602132	0	26	-1.0	-43.80	244.98	3.56	-40.24
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC(F)=C1	REAL250004602132	1	26	-1.0	-43.78	245.07	3.56	-40.22
CCCC(CCCS(C)(=O)=O)C(=O)NC1=N[N-]N=N1	REAL250004602133	0	37	-1.0	-52.67	316.93	2.47	-50.20
CCCC(CCCS(C)(=O)=O)C(=O)NC1=NN=N[N-]1	REAL250004602133	1	37	-1.0	-52.81	316.82	2.48	-50.33
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OCC(C)C)=C1	REAL250004602134	0	37	-1.0	-50.18	307.56	6.00	-44.18
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OCC(C)C)=C1	REAL250004602134	1	37	-1.0	-50.07	307.66	6.00	-44.07
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004602135	0	31	-1.0	-46.24	274.63	5.65	-40.59
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004602135	1	31	-1.0	-46.19	274.73	5.63	-40.56
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004602136	0	27	-1.0	-46.75	248.44	2.82	-43.93
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004602136	1	27	-1.0	-46.69	248.55	2.82	-43.87
O=C(C=CC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602137	0	26	-1.0	-41.21	250.43	4.99	-36.22
O=C(C=CC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602137	1	26	-1.0	-41.26	250.34	5.00	-36.26
N#CC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004602138	0	30	-1.0	-44.09	273.14	6.22	-37.87
N#CC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004602138	1	30	-1.0	-44.13	273.04	6.24	-37.89
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=N[N-]N=N1	REAL250004602139	0	39	-1.0	-47.31	307.29	2.65	-44.66
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=NN=N[N-]1	REAL250004602139	1	39	-1.0	-47.39	307.20	2.67	-44.72
CCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004602140	0	33	-1.0	-46.77	286.91	5.75	-41.02
CCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004602140	1	33	-1.0	-46.71	287.00	5.74	-40.97
CC(CCC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004602141	0	39	-1.0	-44.68	319.90	3.15	-41.53
CC(CCC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004602141	1	39	-1.0	-44.78	319.81	3.15	-41.63
CCCOC1=CC(OC)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602142	0	34	-1.0	-49.87	287.45	5.33	-44.54
CCCOC1=CC(OC)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602142	1	34	-1.0	-49.82	287.56	5.33	-44.49
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(C)C)=C1	REAL250004602143	0	34	-1.0	-50.11	283.88	5.14	-44.97
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(C)C)=C1	REAL250004602143	1	34	-1.0	-50.03	283.99	5.14	-44.89
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL250004602144	0	29	-1.0	-47.24	262.49	5.88	-41.36
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL250004602144	1	29	-1.0	-47.29	262.40	5.90	-41.39
CCOC(=O)C1(CC(=O)NC2=N[N-]N=N2)CCC1	REAL250004602145	0	32	-1.0	-52.60	273.08	4.96	-47.64
CCOC(=O)C1(CC(=O)NC2=NN=N[N-]2)CCC1	REAL250004602145	1	32	-1.0	-52.72	272.99	4.97	-47.75
CC(C)N1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004602146	0	36	-1.0	-47.06	304.29	6.37	-40.69
CC(C)N1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004602146	1	36	-1.0	-46.94	304.37	6.36	-40.58
NC(=O)C1=CC=CC=C1NCC(=O)NC1=N[N-]N=N1	REAL250004602147	0	29	-1.0	-54.48	254.26	-0.05	-54.53
NC(=O)C1=CC=CC=C1NCC(=O)NC1=NN=N[N-]1	REAL250004602147	1	29	-1.0	-54.51	254.16	-0.04	-54.55
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(Br)S1	REAL250004602148	0	19	-1.0	-42.51	213.42	2.20	-40.31
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(Br)S1	REAL250004602148	1	19	-1.0	-42.46	213.52	2.19	-40.27
O=C(CC1=CN=CN1CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004602149	0	33	-1.0	-51.76	287.14	7.15	-44.61
O=C(CC1=CN=CN1CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004602149	1	33	-1.0	-51.83	287.05	7.16	-44.67
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602150	0	26	-1.0	-44.86	242.89	4.99	-39.87
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602150	1	26	-1.0	-44.72	242.98	4.97	-39.75
CN(CC(=O)NC1=N[N-]N=N1)C(=O)OCC1=CC=CC=C1	REAL250004602151	0	34	-1.0	-51.14	304.42	5.45	-45.69
CN(CC(=O)NC1=NN=N[N-]1)C(=O)OCC1=CC=CC=C1	REAL250004602151	1	34	-1.0	-51.25	304.33	5.46	-45.79
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL250004602152	0	29	-1.0	-40.82	259.51	4.38	-36.44
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004602152	1	29	-1.0	-40.71	259.61	4.35	-36.36
CC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004602153	0	26	-1.0	-45.27	245.11	5.48	-39.79
CC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004602153	1	26	-1.0	-45.36	245.02	5.50	-39.86
CCC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004602154	0	36	-1.0	-45.13	295.05	5.66	-39.47
CCC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004602154	1	36	-1.0	-45.26	294.95	5.68	-39.58
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL250004602155	0	26	-1.0	-45.80	255.56	2.75	-43.05
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=N1	REAL250004602155	1	26	-1.0	-45.72	255.66	2.75	-42.97
CC(C)(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004602156	0	32	-1.0	-44.38	276.73	6.33	-38.05
CC(C)(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004602156	1	32	-1.0	-44.28	276.83	6.31	-37.97
CCN1N=NC2=C1CCC(C(=O)NC1=N[N-]N=N1)C2	REAL250004602157	0	32	-1.0	-48.49	269.89	3.37	-45.12
CCN1N=NC2=C1CCC(C(=O)NC1=NN=N[N-]1)C2	REAL250004602157	1	32	-1.0	-48.52	269.79	3.38	-45.14
CC1=C(C(=O)NC2=N[N-]N=N2)SC(Br)=N1	REAL250004602158	0	19	-1.0	-38.40	213.39	2.15	-36.25
CC1=C(C(=O)NC2=NN=N[N-]2)SC(Br)=N1	REAL250004602158	1	19	-1.0	-38.52	213.47	2.17	-36.35
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004602159	0	32	-1.0	-45.04	270.41	5.98	-39.06
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004602159	1	32	-1.0	-44.93	270.50	5.96	-38.97
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004602160	0	31	-1.0	-47.43	280.85	2.71	-44.72
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004602160	1	31	-1.0	-47.48	280.75	2.73	-44.75
O=C(NC1=NN=N[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL250004602161	0	25	-1.0	-39.61	243.72	4.10	-35.51
O=C(NC1=N[N-]N=N1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL250004602161	1	25	-1.0	-39.55	243.81	4.10	-35.45
COCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602162	0	37	-1.0	-43.69	309.24	0.62	-43.07
COCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602162	1	37	-1.0	-43.70	309.15	0.63	-43.07
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=NN=N[N-]1	REAL250004602163	0	35	-1.0	-45.44	309.20	4.80	-40.64
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=N[N-]N=N1	REAL250004602163	1	35	-1.0	-45.32	309.30	4.79	-40.53
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCOC1	REAL250004602164	0	38	-1.0	-51.34	306.20	0.83	-50.51
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCOC1	REAL250004602164	1	38	-1.0	-51.43	306.11	0.85	-50.58
N#CC1=CC(F)=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=C1	REAL250004602165	0	28	-1.0	-47.97	265.73	5.94	-42.03
N#CC1=CC(F)=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=C1	REAL250004602165	1	28	-1.0	-48.05	265.64	5.95	-42.10
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(C#N)=C1	REAL250004602166	0	30	-1.0	-44.89	270.01	5.84	-39.05
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(C#N)=C1	REAL250004602166	1	30	-1.0	-44.99	269.92	5.87	-39.12
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602167	0	36	-1.0	-48.51	296.13	2.04	-46.47
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602167	1	36	-1.0	-48.61	296.04	2.06	-46.55
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602168	0	29	-1.0	-48.95	261.56	4.64	-44.31
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602168	1	29	-1.0	-49.02	261.46	4.66	-44.36
CC(C)C1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602169	0	32	-1.0	-49.61	276.25	6.06	-43.55
CC(C)C1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602169	1	32	-1.0	-49.49	276.35	6.05	-43.44
O=C(NC1=NN=N[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL250004602170	0	30	-1.0	-47.38	270.98	3.97	-43.41
O=C(NC1=N[N-]N=N1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL250004602170	1	30	-1.0	-47.32	271.08	3.96	-43.36
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250004602171	0	20	-1.0	-39.87	219.94	3.98	-35.89
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL250004602171	1	20	-1.0	-39.81	220.04	3.97	-35.84
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)N=CS1	REAL250004602172	0	19	-1.0	-46.32	208.62	2.05	-44.27
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)N=CS1	REAL250004602172	1	19	-1.0	-46.24	208.73	2.03	-44.21
NS(=O)(=O)CCCCCC(=O)NC1=N[N-]N=N1	REAL250004602173	0	30	-1.0	-57.08	273.35	-1.16	-58.24
NS(=O)(=O)CCCCCC(=O)NC1=NN=N[N-]1	REAL250004602173	1	30	-1.0	-57.13	273.26	-1.15	-58.28
O=C(NC1=N[N-]N=N1)C1CSC(C2=CC=CC=C2O)=N1	REAL250004602174	0	29	-1.0	-47.65	272.59	1.38	-46.27
O=C(NC1=NN=N[N-]1)C1CSC(C2=CC=CC=C2O)=N1	REAL250004602174	1	29	-1.0	-47.68	272.50	1.39	-46.29
CN(C)S(=O)(=O)N(C)CC(=O)NC1=N[N-]N=N1	REAL250004602175	0	29	-1.0	-43.08	261.76	-0.62	-43.70
CN(C)S(=O)(=O)N(C)CC(=O)NC1=NN=N[N-]1	REAL250004602175	1	29	-1.0	-43.15	261.66	-0.61	-43.76
NS(=O)(=O)CCCCCCC(=O)NC1=N[N-]N=N1	REAL250004602176	0	33	-1.0	-53.86	294.85	-0.38	-54.24
NS(=O)(=O)CCCCCCC(=O)NC1=NN=N[N-]1	REAL250004602176	1	33	-1.0	-53.93	294.76	-0.37	-54.30
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=N[N-]N=N1	REAL250004602177	0	28	-1.0	-49.35	268.71	-2.04	-51.39
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=NN=N[N-]1	REAL250004602177	1	28	-1.0	-49.41	268.62	-2.03	-51.44
CNS(=O)(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602178	0	33	-1.0	-47.53	280.90	-1.08	-48.61
CNS(=O)(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602178	1	33	-1.0	-47.59	280.81	-1.06	-48.65
CC1=CC=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(Cl)N=C12	REAL250004602180	0	28	-1.0	-47.23	261.40	5.47	-41.76
CC1=CC=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(Cl)N=C12	REAL250004602180	1	28	-1.0	-47.18	261.50	5.46	-41.72
CS(=O)(=O)C1=NC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602181	0	24	-1.0	-50.26	242.55	-1.47	-51.73
CS(=O)(=O)C1=NC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602181	1	24	-1.0	-50.18	242.65	-1.48	-51.66
O=C(NC1=N[N-]N=N1)C1CCCN(CC(F)F)C1	REAL250004602182	0	31	-1.0	-43.59	258.69	2.63	-40.96
O=C(NC1=NN=N[N-]1)C1CCCN(CC(F)F)C1	REAL250004602182	1	31	-1.0	-43.68	258.59	2.64	-41.04
NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)(F)F	REAL250004602183	0	26	-1.0	-47.99	247.19	1.59	-46.40
NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)(F)F	REAL250004602183	1	26	-1.0	-47.94	247.29	1.59	-46.35
CC1=CC=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004602184	0	28	-1.0	-45.62	246.45	4.73	-40.89
CC1=CC=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004602184	1	28	-1.0	-45.56	246.54	4.72	-40.84
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004602185	0	29	-1.0	-45.28	252.31	4.77	-40.51
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004602185	1	29	-1.0	-45.18	252.41	4.76	-40.42
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=N[N-]N=N1	REAL250004602186	0	24	-1.0	-44.29	234.73	5.11	-39.18
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=NN=N[N-]1	REAL250004602186	1	24	-1.0	-44.36	234.63	5.11	-39.25
CCC1=CC=CC=C1OCCC(=O)NC1=N[N-]N=N1	REAL250004602187	0	33	-1.0	-43.70	283.71	5.60	-38.10
CCC1=CC=CC=C1OCCC(=O)NC1=NN=N[N-]1	REAL250004602187	1	33	-1.0	-43.76	283.62	5.62	-38.14
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL250004602188	0	27	-1.0	-42.67	259.34	3.49	-39.18
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL250004602188	1	27	-1.0	-42.75	259.25	3.51	-39.24
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1OC	REAL250004602189	0	31	-1.0	-45.37	264.55	3.86	-41.51
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1OC	REAL250004602189	1	31	-1.0	-45.31	264.65	3.85	-41.46
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL250004602190	0	23	-1.0	-41.15	236.19	4.94	-36.21
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL250004602190	1	23	-1.0	-41.09	236.28	4.93	-36.16
COCCN1C=C(C(=O)NC2=N[N-]N=N2)C(=O)C=C1C	REAL250004602191	0	33	-1.0	-62.87	281.64	3.65	-59.22
COCCN1C=C(C(=O)NC2=NN=N[N-]2)C(=O)C=C1C	REAL250004602191	1	33	-1.0	-62.93	281.53	3.65	-59.28
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004602192	0	23	-1.0	-41.38	230.63	1.82	-39.56
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004602192	1	23	-1.0	-41.30	230.73	1.82	-39.48
CC1=NN=C(COCC(=O)NC2=N[N-]N=N2)S1	REAL250004602193	0	25	-1.0	-54.22	247.82	1.60	-52.62
CC1=NN=C(COCC(=O)NC2=NN=N[N-]2)S1	REAL250004602193	1	25	-1.0	-54.29	247.72	1.61	-52.68
COC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CC2)=C1	REAL250004602194	0	31	-1.0	-52.19	268.02	4.79	-47.40
COC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CC2)=C1	REAL250004602194	1	31	-1.0	-52.28	267.92	4.80	-47.48
CCC1=CC=C2OC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602195	0	29	-1.0	-49.49	258.98	5.58	-43.91
CCC1=CC=C2OC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602195	1	29	-1.0	-49.39	259.08	5.56	-43.83
O=C(NC1=NN=N[N-]1)C1=COC(SC2=NC=CC=N2)=N1	REAL250004602196	0	25	-1.0	-47.48	255.67	0.49	-46.99
O=C(NC1=N[N-]N=N1)C1=COC(SC2=NC=CC=N2)=N1	REAL250004602196	1	25	-1.0	-47.43	255.77	0.48	-46.95
CC(CN1C=CC2=CC=CC=C21)C(=O)NC1=N[N-]N=N1	REAL250004602197	0	33	-1.0	-42.10	276.89	6.72	-35.38
CC(CN1C=CC2=CC=CC=C21)C(=O)NC1=NN=N[N-]1	REAL250004602197	1	33	-1.0	-42.17	276.79	6.74	-35.43
O=C(NC1=N[N-]N=N1)C(CO)C1=CC=C(Cl)C=C1	REAL250004602199	0	27	-1.0	-42.75	255.57	2.21	-40.54
O=C(NC1=NN=N[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL250004602199	1	27	-1.0	-42.82	255.47	2.23	-40.59
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Br)C(=O)N1	REAL250004602200	0	23	-1.0	-41.22	228.80	1.99	-39.23
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Br)C(=O)N1	REAL250004602200	1	23	-1.0	-41.30	228.70	1.99	-39.31
O=C(NC1=NN=N[N-]1)C1=NC=C(CC2=CC=CC=C2)O1	REAL250004602201	0	29	-1.0	-45.55	269.84	3.46	-42.09
O=C(NC1=N[N-]N=N1)C1=NC=C(CC2=CC=CC=C2)O1	REAL250004602201	1	29	-1.0	-45.46	269.94	3.46	-42.00
CC(C)CC1=CC=CC(C(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004602202	0	38	-1.0	-44.29	309.23	7.69	-36.60
CC(C)CC1=CC=CC(C(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004602202	1	38	-1.0	-44.34	309.14	7.71	-36.63
O=C(NC1=N[N-]N=N1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL250004602203	0	30	-1.0	-50.60	267.36	2.25	-48.35
O=C(NC1=NN=N[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL250004602203	1	30	-1.0	-50.65	267.27	2.28	-48.37
CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=CS1	REAL250004602204	0	29	-1.0	-47.33	271.67	5.22	-42.11
CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=CS1	REAL250004602204	1	29	-1.0	-47.26	271.77	5.21	-42.05
CN(CCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602205	0	36	-1.0	-46.72	298.29	3.82	-42.90
CN(CCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602205	1	36	-1.0	-46.81	298.19	3.83	-42.98
CC1=CC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=NO1	REAL250004602206	0	31	-1.0	-48.50	283.79	2.66	-45.84
CC1=CC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=NO1	REAL250004602206	1	31	-1.0	-48.60	283.69	2.68	-45.92
O=C(NC1=NN=N[N-]1)C1=CSC=C1Br	REAL250004602207	0	17	-1.0	-45.95	196.40	3.34	-42.61
O=C(NC1=N[N-]N=N1)C1=CSC=C1Br	REAL250004602207	1	17	-1.0	-45.84	196.50	3.33	-42.51
COC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1F	REAL250004602208	0	30	-1.0	-48.25	268.31	4.63	-43.62
COC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1F	REAL250004602208	1	30	-1.0	-48.31	268.22	4.64	-43.67
CCC(C)(C)C1CCC2(CC2C(=O)NC2=N[N-]N=N2)CC1	REAL250004602209	0	45	-1.0	-44.40	324.31	7.86	-36.54
CCC(C)(C)C1CCC2(CC2C(=O)NC2=NN=N[N-]2)CC1	REAL250004602209	1	45	-1.0	-44.44	324.22	7.87	-36.57
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004602210	0	31	-1.0	-40.17	285.82	3.12	-37.05
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004602210	1	31	-1.0	-40.23	285.72	3.14	-37.09
CN1C=CN=C1C(CC(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL250004602211	0	29	-1.0	-42.89	266.02	4.02	-38.87
CN1C=CN=C1C(CC(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL250004602211	1	29	-1.0	-42.93	265.89	4.04	-38.89
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004602212	0	33	-1.0	-53.34	281.26	5.68	-47.66
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004602212	1	33	-1.0	-53.40	281.17	5.69	-47.71
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=NN=N[N-]1	REAL250004602213	0	27	-1.0	-49.98	258.78	-0.80	-50.78
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=N[N-]N=N1	REAL250004602213	1	27	-1.0	-49.90	258.87	-0.82	-50.72
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250004602214	0	22	-1.0	-45.61	220.14	4.55	-41.06
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250004602214	1	22	-1.0	-45.55	220.24	4.54	-41.01
O=C(NC1=NN=N[N-]1)C1=C(Cl)C(Cl)=NS1	REAL250004602215	0	16	-1.0	-38.54	205.21	2.36	-36.18
O=C(NC1=N[N-]N=N1)C1=C(Cl)C(Cl)=NS1	REAL250004602215	1	16	-1.0	-38.50	205.31	2.35	-36.15
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004602216	0	28	-1.0	-46.72	262.06	3.91	-42.81
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004602216	1	28	-1.0	-46.67	262.14	3.89	-42.78
O=C(CC1=CC=C2N=CSC2=C1)NC1=N[N-]N=N1	REAL250004602217	0	25	-1.0	-48.00	243.29	3.85	-44.15
O=C(CC1=CC=C2N=CSC2=C1)NC1=NN=N[N-]1	REAL250004602217	1	25	-1.0	-48.09	243.20	3.87	-44.22
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004602218	0	29	-1.0	-48.15	261.44	6.51	-41.64
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004602218	1	29	-1.0	-48.07	261.54	6.50	-41.57
CNC1=NC=CC(C(=O)NC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004602219	0	26	-1.0	-52.24	245.89	3.64	-48.60
CNC1=NC=CC(C(=O)NC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004602219	1	26	-1.0	-52.21	245.98	3.62	-48.59
CN(C)C1=CC(C(=O)NC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004602220	0	33	-1.0	-45.86	284.97	4.10	-41.76
CN(C)C1=CC(C(=O)NC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004602220	1	33	-1.0	-45.82	285.06	4.09	-41.73
CC1=CC(=O)C(C(=O)NC2=NN=N[N-]2)=CN1C1CC1	REAL250004602221	0	30	-1.0	-58.98	257.02	5.11	-53.87
CC1=CC(=O)C(C(=O)NC2=N[N-]N=N2)=CN1C1CC1	REAL250004602221	1	30	-1.0	-58.91	257.12	5.11	-53.80
COC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)C=CO1	REAL250004602222	0	26	-1.0	-48.47	244.63	3.38	-45.09
COC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)C=CO1	REAL250004602222	1	26	-1.0	-48.40	244.73	3.37	-45.03
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004602223	0	33	-1.0	-39.75	273.71	3.42	-36.33
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004602223	1	33	-1.0	-39.81	273.61	3.42	-36.39
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=N[N-]N=N1	REAL250004602224	0	33	-1.0	-47.82	290.06	3.78	-44.04
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=NN=N[N-]1	REAL250004602224	1	33	-1.0	-47.90	289.96	3.80	-44.10
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602226	0	31	-1.0	-55.62	265.76	5.82	-49.80
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602226	1	31	-1.0	-55.55	265.86	5.82	-49.73
O=C(NC1=N[N-]N=N1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004602227	0	28	-1.0	-41.85	264.86	5.16	-36.69
O=C(NC1=NN=N[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL250004602227	1	28	-1.0	-41.93	264.76	5.17	-36.76
O=C(NC1=N[N-]N=N1)C1CCC(=O)C2=CC=CC=C21	REAL250004602228	0	29	-1.0	-45.06	251.63	5.26	-39.80
O=C(NC1=NN=N[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL250004602228	1	29	-1.0	-45.07	251.53	5.28	-39.79
CC1=CSC(CCCC(=O)NC2=N[N-]N=N2)=N1	REAL250004602229	0	28	-1.0	-48.45	261.63	3.77	-44.68
CC1=CSC(CCCC(=O)NC2=NN=N[N-]2)=N1	REAL250004602229	1	28	-1.0	-48.50	261.54	3.78	-44.72
O=CC1=CN(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004602230	0	29	-1.0	-54.18	267.24	5.67	-48.51
O=CC1=CN(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004602230	1	29	-1.0	-54.10	267.33	5.66	-48.44
O=C(NC1=N[N-]N=N1)C12C3C(=O)C4C1C1CC4C3C12	REAL250004602231	0	29	-1.0	-47.24	242.29	4.88	-42.36
O=C(NC1=NN=N[N-]1)C12C3C(=O)C4C1C1CC4C3C12	REAL250004602231	1	29	-1.0	-47.31	242.20	4.89	-42.42
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)CC1	REAL250004602232	0	31	-1.0	-46.81	265.25	2.81	-44.00
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)CC1	REAL250004602232	1	31	-1.0	-46.87	265.16	2.83	-44.04
O=C(NC1=N[N-]N=N1)C1COCCN1CC(F)(F)F	REAL250004602233	0	29	-1.0	-40.39	248.77	0.22	-40.17
O=C(NC1=NN=N[N-]1)C1COCCN1CC(F)(F)F	REAL250004602233	1	29	-1.0	-40.48	248.67	0.23	-40.25
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004602234	0	29	-1.0	-59.75	260.43	2.19	-57.56
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004602234	1	29	-1.0	-59.85	260.33	2.20	-57.65
CC(C)(C(=O)NC1=N[N-]N=N1)S(=O)(=O)C1CC1	REAL250004602235	0	29	-1.0	-60.03	256.66	1.39	-58.64
CC(C)(C(=O)NC1=NN=N[N-]1)S(=O)(=O)C1CC1	REAL250004602235	1	29	-1.0	-60.08	256.56	1.40	-58.68
O=C(NC1=N[N-]N=N1)C1(O)CCC2=CC=CC=C2C1	REAL250004602236	0	31	-1.0	-43.11	259.40	3.22	-39.89
O=C(NC1=NN=N[N-]1)C1(O)CCC2=CC=CC=C2C1	REAL250004602236	1	31	-1.0	-43.18	259.31	3.24	-39.94
O=C(NC1=NN=N[N-]1)C1=NNC(CC2=CC=CC=C2)=C1	REAL250004602237	0	30	-1.0	-47.38	273.55	4.60	-42.78
O=C(NC1=N[N-]N=N1)C1=NNC(CC2=CC=CC=C2)=C1	REAL250004602237	1	30	-1.0	-47.26	273.65	4.58	-42.68
CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004602238	0	26	-1.0	-52.14	252.42	1.36	-50.78
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004602238	1	26	-1.0	-52.03	252.50	1.33	-50.70
CCC(C(=O)NC1=N[N-]N=N1)N1CCOC(CC)C1	REAL250004602239	0	38	-1.0	-45.28	291.91	2.19	-43.09
CCC(C(=O)NC1=NN=N[N-]1)N1CCOC(CC)C1	REAL250004602239	1	38	-1.0	-45.34	291.81	2.20	-43.14
CCN(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1Cl	REAL250004602240	0	34	-1.0	-46.71	292.60	4.58	-42.13
CCN(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1Cl	REAL250004602240	1	34	-1.0	-46.76	292.50	4.59	-42.17
O=C(CC1=CSC(N2CCOCC2)=N1)NC1=N[N-]N=N1	REAL250004602241	0	32	-1.0	-48.57	285.01	1.28	-47.29
O=C(CC1=CSC(N2CCOCC2)=N1)NC1=NN=N[N-]1	REAL250004602241	1	32	-1.0	-48.66	284.91	1.30	-47.36
CCCCCCCCC(O)CCC(=O)NC1=N[N-]N=N1	REAL250004602242	0	44	-1.0	-43.06	355.19	5.26	-37.80
CCCCCCCCC(O)CCC(=O)NC1=NN=N[N-]1	REAL250004602242	1	44	-1.0	-43.14	355.10	5.27	-37.87
COC(=O)N[C@@H](CC(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602243	0	33	-1.0	-40.27	269.77	1.17	-39.10
COC(=O)N[C@@H](CC(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602243	1	33	-1.0	-40.33	269.68	1.19	-39.14
CC1(CC(=O)NC2=N[N-]N=N2)CC1(Cl)Cl	REAL250004602244	0	23	-1.0	-46.09	232.13	4.47	-41.62
CC1(CC(=O)NC2=NN=N[N-]2)CC1(Cl)Cl	REAL250004602244	1	23	-1.0	-46.18	232.03	4.47	-41.71
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=CN=CO2)=C1	REAL250004602245	0	26	-1.0	-50.95	241.96	2.23	-48.72
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=CN=CO2)=C1	REAL250004602245	1	26	-1.0	-50.86	242.06	2.21	-48.65
O=C(NC1=NN=N[N-]1)C1=CC=C(C2OCCO2)C=C1	REAL250004602246	0	29	-1.0	-45.63	254.82	3.44	-42.19
O=C(NC1=N[N-]N=N1)C1=CC=C(C2OCCO2)C=C1	REAL250004602246	1	29	-1.0	-45.55	254.91	3.42	-42.13
O=C(NC1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C=N1	REAL250004602247	1	26	-1.0	-50.65	238.73	2.92	-47.73
O=C(NC1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C=N1	REAL250004602247	1	26	-1.0	-50.57	238.83	2.92	-47.65
CC1=NN=C(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)O1	REAL250004602248	0	30	-1.0	-49.08	278.97	-2.54	-51.62
CC1=NN=C(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)O1	REAL250004602248	1	30	-1.0	-49.13	278.87	-2.52	-51.65
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1N1C=CC=N1	REAL250004602249	0	27	-1.0	-61.69	252.03	5.03	-56.66
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1N1C=CC=N1	REAL250004602249	1	27	-1.0	-61.65	252.12	5.03	-56.62
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL250004602250	0	31	-1.0	-45.27	273.26	4.59	-40.68
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL250004602250	1	31	-1.0	-45.20	273.36	4.58	-40.62
O=C(NC1=N[N-]N=N1)C(=CC1=CC=CC=C1)C(F)(F)F	REAL250004602251	0	27	-1.0	-42.12	248.54	5.95	-36.17
O=C(NC1=NN=N[N-]1)C(=CC1=CC=CC=C1)C(F)(F)F	REAL250004602251	1	27	-1.0	-42.18	247.84	5.92	-36.26
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL250004602252	0	29	-1.0	-49.73	260.97	3.05	-46.68
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL250004602252	1	29	-1.0	-49.64	261.07	3.05	-46.59
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CCOCC1	REAL250004602253	0	37	-1.0	-48.80	292.44	5.42	-43.38
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CCOCC1	REAL250004602253	1	37	-1.0	-48.90	292.35	5.44	-43.46
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004602254	0	30	-1.0	-45.97	280.92	6.84	-39.13
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004602254	1	30	-1.0	-46.06	280.83	6.85	-39.21
CC1=CC=C(Br)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004602255	0	26	-1.0	-44.29	250.59	5.62	-38.67
CC1=CC=C(Br)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004602255	1	26	-1.0	-44.34	250.50	5.64	-38.70
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004602256	0	29	-1.0	-45.60	264.62	1.78	-43.82
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004602256	1	29	-1.0	-45.51	264.72	1.76	-43.75
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004602257	0	27	-1.0	-47.75	254.31	6.23	-41.52
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004602257	1	27	-1.0	-47.82	254.21	6.25	-41.57
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL250004602258	0	26	-1.0	-44.72	251.77	5.64	-39.08
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL250004602258	1	26	-1.0	-44.79	251.68	5.66	-39.13
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=N[N-]N=N1	REAL250004602259	0	29	-1.0	-52.07	263.16	3.55	-48.52
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=NN=N[N-]1	REAL250004602259	1	29	-1.0	-52.16	263.07	3.57	-48.59
CC(F)(F)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602260	0	26	-1.0	-43.45	240.57	5.34	-38.11
CC(F)(F)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602260	1	26	-1.0	-43.39	240.67	5.32	-38.07
O=C(CC1COC2=CC=CC=C2O1)NC1=N[N-]N=N1	REAL250004602261	0	29	-1.0	-51.88	255.29	4.42	-47.46
O=C(CC1COC2=CC=CC=C2O1)NC1=NN=N[N-]1	REAL250004602261	1	29	-1.0	-51.98	255.20	4.43	-47.55
O=C(NC1=NN=N[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250004602262	0	23	-1.0	-45.65	225.89	1.22	-44.43
O=C(NC1=N[N-]N=N1)C1=CC=NC(OC(F)F)=C1	REAL250004602262	1	23	-1.0	-45.60	225.99	1.22	-44.38
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=C1OC	REAL250004602263	0	31	-1.0	-47.61	288.33	4.24	-43.37
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=C1OC	REAL250004602263	1	31	-1.0	-47.70	288.24	4.26	-43.44
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004602264	0	37	-1.0	-50.41	300.43	2.83	-47.58
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004602264	1	37	-1.0	-50.49	300.33	2.85	-47.64
COC1=CC(C(=O)NC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004602265	0	26	-1.0	-47.70	247.35	4.80	-42.90
COC1=CC(C(=O)NC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004602265	1	26	-1.0	-47.62	247.45	4.79	-42.83
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC=C1Cl	REAL250004602266	0	27	-1.0	-47.77	254.32	6.23	-41.54
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250004602266	1	27	-1.0	-47.83	254.22	6.25	-41.58
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL250004602267	0	30	-1.0	-48.25	278.97	3.10	-45.15
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL250004602267	1	30	-1.0	-48.18	279.06	3.08	-45.10
O=C(NC1=NN=N[N-]1)C1=C(Br)SC=C1	REAL250004602268	0	17	-1.0	-44.68	196.38	3.44	-41.24
O=C(NC1=N[N-]N=N1)C1=C(Br)SC=C1	REAL250004602268	1	17	-1.0	-44.63	196.48	3.43	-41.20
CC1=C(C(=O)NC2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004602269	0	26	-1.0	-41.22	242.80	3.59	-37.63
CC1=C(C(=O)NC2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004602269	1	26	-1.0	-41.14	242.90	3.57	-37.57
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL250004602270	0	27	-1.0	-45.83	257.68	4.32	-41.51
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL250004602270	1	27	-1.0	-45.92	257.59	4.34	-41.58
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL250004602271	0	24	-1.0	-43.77	251.65	3.46	-40.31
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL250004602271	1	24	-1.0	-43.85	251.56	3.48	-40.37
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602272	0	23	-1.0	-38.06	229.08	2.51	-35.55
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602272	1	23	-1.0	-37.99	229.18	2.53	-35.46
CC1=CC(F)=C(CC(=O)NC2=N[N-]N=N2)C=C1F	REAL250004602273	0	26	-1.0	-45.45	244.28	5.22	-40.23
CC1=CC(F)=C(CC(=O)NC2=NN=N[N-]2)C=C1F	REAL250004602273	1	26	-1.0	-45.50	244.18	5.24	-40.26
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602274	0	35	-1.0	-51.01	298.61	4.40	-46.61
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602274	1	35	-1.0	-50.91	298.71	4.39	-46.52
CC1=CC(C)=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004602275	0	26	-1.0	-42.32	242.93	5.67	-36.65
CC1=CC(C)=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004602275	1	26	-1.0	-42.24	243.03	5.66	-36.58
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004602276	0	23	-1.0	-45.99	233.80	5.36	-40.63
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004602276	1	23	-1.0	-45.86	233.89	5.35	-40.51
O=C(NC1=N[N-]N=N1)C1=CC=CN1CCN1CCOCC1	REAL250004602277	0	37	-1.0	-46.89	301.99	2.59	-44.30
O=C(NC1=NN=N[N-]1)C1=CC=CN1CCN1CCOCC1	REAL250004602277	1	37	-1.0	-47.03	301.89	2.59	-44.44
N#CC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602278	0	21	-1.0	-48.71	226.04	4.67	-44.04
N#CC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602278	1	21	-1.0	-48.61	226.13	4.66	-43.95
CC(C)(C)OC(=O)N1CC(O)(C(=O)NC2=N[N-]N=N2)C1	REAL250004602279	0	35	-1.0	-43.91	294.26	-0.02	-43.93
CC(C)(C)OC(=O)N1CC(O)(C(=O)NC2=NN=N[N-]2)C1	REAL250004602279	1	35	-1.0	-44.01	294.17	0.00	-44.01
CC1=C(C(=O)NC2=NN=N[N-]2)C(C)N2N=NN=C2N1C	REAL250004602280	0	31	-1.0	-41.39	257.43	4.80	-36.59
CC1=C(C(=O)NC2=N[N-]N=N2)C(C)N2N=NN=C2N1C	REAL250004602280	1	31	-1.0	-41.30	257.54	4.80	-36.50
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004602281	0	29	-1.0	-44.05	277.71	2.09	-41.96
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004602281	1	29	-1.0	-44.17	277.61	2.10	-42.07
CC1CC(C(=O)NC2=N[N-]N=N2)(C2=CC=CC(Cl)=C2)C1	REAL250004602282	0	33	-1.0	-45.57	293.68	7.22	-38.35
CC1CC(C(=O)NC2=NN=N[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL250004602282	1	33	-1.0	-45.61	293.59	7.23	-38.38
CCC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004602283	0	29	-1.0	-44.34	257.88	5.65	-38.69
CCC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004602283	1	29	-1.0	-44.27	257.98	5.64	-38.63
CC(OCCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004602284	0	33	-1.0	-46.78	287.93	6.28	-40.50
CC(OCCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004602284	1	33	-1.0	-46.85	287.84	6.29	-40.56
C=CCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602285	0	31	-1.0	-46.22	276.41	5.28	-40.94
C=CCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602285	1	31	-1.0	-46.26	276.31	5.30	-40.96
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL250004602286	0	23	-1.0	-41.91	242.76	1.64	-40.27
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL250004602286	1	23	-1.0	-41.86	242.86	1.63	-40.23
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004602287	0	30	-1.0	-55.75	274.58	1.19	-54.56
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004602287	1	30	-1.0	-55.71	274.68	1.17	-54.54
O=C(NC1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004602288	0	23	-1.0	-42.58	226.97	2.91	-39.67
O=C(NC1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004602288	1	23	-1.0	-42.51	227.07	2.91	-39.60
CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004602289	0	34	-1.0	-48.81	287.45	5.35	-43.46
CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004602289	1	34	-1.0	-48.77	287.55	5.35	-43.42
CCOC(=O)C1=C(C)NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602290	0	30	-1.0	-44.84	270.92	3.71	-41.13
CCOC(=O)C1=C(C)NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602290	1	30	-1.0	-44.76	271.02	3.70	-41.06
CC(=O)NC[C@H](CC(=O)NC1=N[N-]N=N1)CC(C)C	REAL250004602291	0	38	-1.0	-47.00	300.86	4.09	-42.91
CC(=O)NC[C@H](CC(=O)NC1=NN=N[N-]1)CC(C)C	REAL250004602291	1	38	-1.0	-47.09	300.76	4.10	-42.99
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C=C1F	REAL250004602292	0	30	-1.0	-45.02	271.47	6.59	-38.43
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL250004602292	1	30	-1.0	-45.09	271.38	6.61	-38.48
CCOCC1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602293	0	29	-1.0	-42.81	269.13	2.29	-40.52
CCOCC1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602293	1	29	-1.0	-42.88	269.03	2.30	-40.58
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NC1=NN=N[N-]1	REAL250004602294	0	29	-1.0	-49.08	275.15	5.22	-43.86
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NC1=N[N-]N=N1	REAL250004602294	1	29	-1.0	-49.00	275.25	5.20	-43.80
CC=CCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004602295	0	34	-1.0	-47.28	298.11	6.14	-41.14
CC=CCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004602295	1	34	-1.0	-47.34	298.02	6.17	-41.17
CN(C)C1=NC(Cl)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602296	0	24	-1.0	-47.06	244.81	3.14	-43.92
CN(C)C1=NC(Cl)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602296	1	24	-1.0	-46.97	244.92	3.13	-43.84
O=C(NC1=NN=N[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004602297	0	33	-1.0	-48.55	295.75	6.23	-42.32
O=C(NC1=N[N-]N=N1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004602297	1	33	-1.0	-48.47	295.84	6.22	-42.25
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2)C1	REAL250004602298	0	32	-1.0	-44.85	267.72	4.21	-40.64
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL250004602298	1	32	-1.0	-44.85	267.63	4.22	-40.63
CC1=NN=NN1C1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004602299	0	28	-1.0	-47.87	259.24	3.90	-43.97
CC1=NN=NN1C1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004602299	1	28	-1.0	-47.80	259.34	3.90	-43.90
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NC1=NN=N[N-]1	REAL250004602300	0	29	-1.0	-46.80	268.01	4.89	-41.91
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NC1=N[N-]N=N1	REAL250004602300	1	29	-1.0	-46.70	268.11	4.88	-41.82
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602301	0	41	-1.0	-40.67	324.38	4.32	-36.35
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602301	1	41	-1.0	-40.76	324.29	4.33	-36.43
CC(C)CN1C=C(C(=O)NC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004602302	0	32	-1.0	-49.08	283.17	4.80	-44.28
CC(C)CN1C=C(C(=O)NC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004602302	1	32	-1.0	-49.19	283.08	4.81	-44.38
O=C(NC1=NN=N[N-]1)C1=CC=NN1CC(F)(F)F	REAL250004602303	0	23	-1.0	-42.56	228.73	2.85	-39.71
O=C(NC1=N[N-]N=N1)C1=CC=NN1CC(F)(F)F	REAL250004602303	1	23	-1.0	-42.48	228.83	2.84	-39.64
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602304	0	29	-1.0	-47.60	266.95	5.13	-42.47
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602304	1	29	-1.0	-47.67	266.86	5.15	-42.52
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602305	0	30	-1.0	-48.10	272.00	5.63	-42.47
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602305	1	30	-1.0	-48.23	271.91	5.65	-42.58
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL250004602306	0	23	-1.0	-41.01	229.31	1.81	-39.20
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL250004602306	1	23	-1.0	-41.06	229.22	1.81	-39.25
O=C(NC1=NN=N[N-]1)C1=CN=C(F)C(Br)=C1	REAL250004602307	0	19	-1.0	-38.69	209.43	2.56	-36.13
O=C(NC1=N[N-]N=N1)C1=CN=C(F)C(Br)=C1	REAL250004602307	1	19	-1.0	-38.62	209.53	2.55	-36.07
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004602308	0	33	-1.0	-45.77	288.27	4.82	-40.95
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004602308	1	33	-1.0	-45.85	288.18	4.83	-41.02
N#CC1=C(F)C=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004602309	0	21	-1.0	-39.47	219.97	4.27	-35.20
N#CC1=C(F)C=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004602309	1	21	-1.0	-39.38	220.07	4.26	-35.12
O=C(NC1=NN=N[N-]1)C1=CN(CC(O)CO)N=C1	REAL250004602310	0	28	-1.0	-52.03	257.65	-3.21	-55.24
O=C(NC1=N[N-]N=N1)C1=CN(CC(O)CO)N=C1	REAL250004602310	1	28	-1.0	-52.00	257.75	-3.22	-55.22
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL250004602311	0	20	-1.0	-41.77	239.40	5.02	-36.75
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL250004602311	1	20	-1.0	-41.69	239.49	5.01	-36.68
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602312	0	31	-1.0	-64.17	272.33	3.46	-60.71
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602312	1	31	-1.0	-64.12	272.43	3.45	-60.67
O=C(NC1=N[N-]N=N1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL250004602313	0	34	-1.0	-57.68	285.50	5.38	-52.30
O=C(NC1=NN=N[N-]1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL250004602313	1	34	-1.0	-57.77	285.43	5.38	-52.39
O=C(NC1=NN=N[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004602314	0	30	-1.0	-50.47	276.74	3.45	-47.02
O=C(NC1=N[N-]N=N1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004602314	1	30	-1.0	-50.44	276.84	3.43	-47.01
O=C(NC1=N[N-]N=N1)C1CCCC1C1=CC=CC=C1	REAL250004602315	0	33	-1.0	-45.98	271.82	6.90	-39.08
O=C(NC1=NN=N[N-]1)C1CCCC1C1=CC=CC=C1	REAL250004602315	1	33	-1.0	-46.03	271.73	6.92	-39.11
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=N[N-]N=N1	REAL250004602316	0	33	-1.0	-41.53	268.09	1.93	-39.60
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=NN=N[N-]1	REAL250004602316	1	33	-1.0	-41.61	268.00	1.95	-39.66
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004602317	0	36	-1.0	-46.27	276.59	7.09	-39.18
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004602317	1	36	-1.0	-46.33	276.45	7.09	-39.24
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=N[N-]N=N1	REAL250004602318	0	42	-1.0	-51.60	333.84	6.03	-45.57
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=NN=N[N-]1	REAL250004602318	1	42	-1.0	-51.67	333.75	6.04	-45.63
CC1=NSC(NC2CC2)=C1C(=O)NC1=N[N-]N=N1	REAL250004602319	0	28	-1.0	-42.02	264.10	2.50	-39.52
CC1=NSC(NC2CC2)=C1C(=O)NC1=NN=N[N-]1	REAL250004602319	1	28	-1.0	-42.10	264.00	2.51	-39.59
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004602320	0	25	-1.0	-45.49	234.95	4.27	-41.22
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004602320	1	25	-1.0	-45.40	235.05	4.27	-41.13
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004602321	0	35	-1.0	-49.38	295.64	4.78	-44.60
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004602321	1	35	-1.0	-49.42	295.54	4.80	-44.62
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602322	0	27	-1.0	-45.77	253.74	5.32	-40.45
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602322	1	27	-1.0	-45.66	253.84	5.30	-40.36
O=C(CC1=CSC=C1Br)NC1=N[N-]N=N1	REAL250004602323	0	20	-1.0	-43.67	221.52	3.95	-39.72
O=C(CC1=CSC=C1Br)NC1=NN=N[N-]1	REAL250004602323	1	20	-1.0	-43.72	221.43	3.98	-39.74
O=C(NC1=NN=N[N-]1)C1=C(NC2=CC=CC=C2)SC=N1	REAL250004602324	0	28	-1.0	-47.23	262.13	3.67	-43.56
O=C(NC1=N[N-]N=N1)C1=C(NC2=CC=CC=C2)SC=N1	REAL250004602324	1	28	-1.0	-47.22	262.23	3.66	-43.56
O=C(NC1=NN=N[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004602325	0	32	-1.0	-44.65	291.45	4.77	-39.88
O=C(NC1=N[N-]N=N1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004602325	1	32	-1.0	-44.62	291.55	4.76	-39.86
O=C(NC1=N[N-]N=N1)C1CCC(OCC2CCCO2)CC1	REAL250004602326	0	41	-1.0	-44.78	324.58	4.38	-40.40
O=C(NC1=NN=N[N-]1)C1CCC(OCC2CCCO2)CC1	REAL250004602326	1	41	-1.0	-44.84	324.49	4.40	-40.44
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL250004602327	0	29	-1.0	-47.16	261.87	-0.20	-47.36
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL250004602327	1	29	-1.0	-47.08	261.96	-0.21	-47.29
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004602328	0	35	-1.0	-48.00	279.82	7.29	-40.71
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004602328	1	35	-1.0	-47.93	279.92	7.28	-40.65
CN(C)C1=CC(C#N)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602329	0	29	-1.0	-44.21	260.68	4.60	-39.61
CN(C)C1=CC(C#N)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602329	1	29	-1.0	-44.15	260.78	4.59	-39.56
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004602330	0	29	-1.0	-47.34	265.80	2.94	-44.40
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004602330	1	29	-1.0	-47.28	265.90	2.93	-44.35
COC1=CC=CC(C(=O)CCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004602332	0	35	-1.0	-58.77	304.74	5.19	-53.58
COC1=CC=CC(C(=O)CCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004602332	1	35	-1.0	-58.79	304.64	5.20	-53.59
NC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004602333	0	28	-1.0	-47.92	254.08	3.71	-44.21
NC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004602333	1	28	-1.0	-47.83	254.19	3.69	-44.14
COC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004602334	0	26	-1.0	-47.80	251.14	4.29	-43.51
COC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004602334	1	26	-1.0	-47.70	251.24	4.29	-43.41
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004602335	0	22	-1.0	-37.39	232.70	2.67	-34.72
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004602335	1	22	-1.0	-37.49	232.60	2.68	-34.81
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=N[N-]N=N1	REAL250004602336	0	27	-1.0	-49.72	256.71	4.89	-44.83
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=NN=N[N-]1	REAL250004602336	1	27	-1.0	-49.83	256.62	4.90	-44.93
N#CC1=CC(C(=O)NC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL250004602337	0	23	-1.0	-39.58	239.31	3.19	-36.39
N#CC1=CC(C(=O)NC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL250004602337	1	23	-1.0	-39.52	239.41	3.19	-36.33
CC(C)C(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004602338	0	32	-1.0	-47.12	280.26	3.87	-43.25
CC(C)C(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004602338	1	32	-1.0	-47.07	280.35	3.85	-43.22
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004602339	0	24	-1.0	-44.53	232.78	3.47	-41.06
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL250004602339	1	24	-1.0	-44.49	232.87	3.47	-41.02
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602340	0	34	-1.0	-42.91	277.43	5.20	-37.71
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602340	1	34	-1.0	-42.83	277.53	5.20	-37.63
CC1CCCN(C2=CC(C(=O)NC3=NN=N[N-]3)=CC=N2)C1	REAL250004602341	0	37	-1.0	-43.54	299.27	5.07	-38.47
CC1CCCN(C2=CC(C(=O)NC3=N[N-]N=N3)=CC=N2)C1	REAL250004602341	1	37	-1.0	-43.44	299.36	5.06	-38.38
CN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602342	0	20	-1.0	-48.17	212.26	2.23	-45.94
CN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602342	1	20	-1.0	-48.08	212.35	2.22	-45.86
O=C(NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL250004602343	0	22	-1.0	-49.68	223.85	4.84	-44.84
O=C(NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL250004602343	1	22	-1.0	-49.65	223.94	4.83	-44.82
CN(CC=CC(=O)NC1=N[N-]N=N1)CC(F)(F)F	REAL250004602344	0	28	-1.0	-46.06	256.95	2.31	-43.75
CN(CC=CC(=O)NC1=NN=N[N-]1)CC(F)(F)F	REAL250004602344	1	28	-1.0	-46.15	256.86	2.32	-43.83
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004602345	0	29	-1.0	-45.98	254.11	3.68	-42.30
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004602345	1	29	-1.0	-46.08	254.01	3.70	-42.38
CC1(C)C(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004602346	0	31	-1.0	-46.81	270.63	3.31	-43.50
CC1(C)C(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004602346	1	31	-1.0	-46.70	270.73	3.31	-43.39
NS(=O)(=O)C1=NNC=C1C(=O)NC1=NN=N[N-]1	REAL250004602347	0	22	-1.0	-55.71	218.45	-3.76	-59.47
NS(=O)(=O)C1=NNC=C1C(=O)NC1=N[N-]N=N1	REAL250004602347	1	22	-1.0	-55.61	218.55	-3.78	-59.39
CC(C)(C)CCC1(O)CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004602348	0	39	-1.0	-43.33	305.58	3.48	-39.85
CC(C)(C)CCC1(O)CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004602348	1	39	-1.0	-43.45	305.49	3.49	-39.96
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004602349	0	26	-1.0	-45.33	241.45	2.07	-43.26
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004602349	1	26	-1.0	-45.25	241.55	2.05	-43.20
CS(=O)(=O)CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602350	0	32	-1.0	-50.46	289.47	2.48	-47.98
CS(=O)(=O)CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602350	1	32	-1.0	-50.51	289.38	2.49	-48.02
CC1(C)OC(=O)C2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004602351	0	30	-1.0	-63.68	262.11	6.32	-57.36
CC1(C)OC(=O)C2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004602351	1	30	-1.0	-63.61	262.21	6.31	-57.30
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004602352	0	34	-1.0	-46.25	279.55	2.19	-44.06
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004602352	1	34	-1.0	-46.33	279.46	2.21	-44.12
CCOC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004602353	0	28	-1.0	-42.54	261.43	3.67	-38.87
CCOC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004602353	1	28	-1.0	-42.41	261.53	3.65	-38.76
CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004602354	0	25	-1.0	-42.88	244.07	5.51	-37.37
CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004602354	1	25	-1.0	-42.80	244.17	5.49	-37.31
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004602355	0	30	-1.0	-46.90	281.96	5.78	-41.12
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004602355	1	30	-1.0	-46.96	281.87	5.79	-41.17
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=N[N-]N=N3)[C@H]2C1	REAL250004602356	0	38	-1.0	-46.72	313.78	4.61	-42.11
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=NN=N[N-]3)[C@H]2C1	REAL250004602356	1	38	-1.0	-46.76	313.68	4.62	-42.14
CC(C(=O)NC1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004602357	0	31	-1.0	-47.95	269.44	5.40	-42.55
CC(C(=O)NC1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004602357	1	31	-1.0	-48.01	269.35	5.41	-42.60
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004602358	0	38	-1.0	-56.00	305.47	5.22	-50.78
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004602358	1	38	-1.0	-55.99	305.38	5.22	-50.77
O=C(NC1=N[N-]N=N1)C1=NOC(CN2CCCC2)=C1	REAL250004602359	0	31	-1.0	-42.59	268.60	1.79	-40.80
O=C(NC1=NN=N[N-]1)C1=NOC(CN2CCCC2)=C1	REAL250004602359	1	31	-1.0	-42.66	268.50	1.79	-40.87
CC(O)(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004602360	0	27	-1.0	-41.24	251.82	2.52	-38.72
CC(O)(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602360	1	27	-1.0	-41.26	251.73	2.53	-38.73
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004602361	0	20	-1.0	-39.70	222.49	4.88	-34.82
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1Cl	REAL250004602361	1	20	-1.0	-39.63	222.59	4.87	-34.76
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=NC=C1Cl	REAL250004602362	0	19	-1.0	-41.64	217.86	2.77	-38.87
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=NC=C1Cl	REAL250004602362	1	19	-1.0	-41.59	217.96	2.76	-38.83
COC1=CC(Cl)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602363	0	24	-1.0	-43.19	233.61	3.64	-39.55
COC1=CC(Cl)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602363	1	24	-1.0	-43.15	233.71	3.61	-39.54
C#CCCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602364	0	29	-1.0	-45.20	265.95	5.37	-39.83
C#CCCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602364	1	29	-1.0	-45.16	266.04	5.37	-39.79
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=N[N-]N=N1	REAL250004602365	0	24	-1.0	-44.83	243.65	4.89	-39.94
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=NN=N[N-]1	REAL250004602365	1	24	-1.0	-44.93	243.56	4.90	-40.03
COC1=CC=CC(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)=C1	REAL250004602366	0	30	-1.0	-46.16	274.24	2.80	-43.36
COC1=CC=CC(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)=C1	REAL250004602366	1	30	-1.0	-46.06	274.34	2.79	-43.27
O=C(NC1=NN=N[N-]1)C1=C(Cl)SC(Cl)=N1	REAL250004602367	0	16	-1.0	-41.16	205.67	2.00	-39.16
O=C(NC1=N[N-]N=N1)C1=C(Cl)SC(Cl)=N1	REAL250004602367	1	16	-1.0	-41.09	205.77	1.99	-39.10
O=C(CCN1C(=O)CCNC1=S)NC1=N[N-]N=N1	REAL250004602368	0	28	-1.0	-57.60	259.10	2.67	-54.93
O=C(CCN1C(=O)CCNC1=S)NC1=NN=N[N-]1	REAL250004602368	1	28	-1.0	-57.65	259.01	2.69	-54.96
NS(=O)(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004602369	0	30	-1.0	-50.71	261.39	-2.23	-52.94
NS(=O)(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004602369	1	30	-1.0	-50.77	261.30	-2.21	-52.98
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602370	0	27	-1.0	-45.93	253.21	-2.42	-48.35
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602370	1	27	-1.0	-46.00	253.12	-2.42	-48.42
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004602371	0	26	-1.0	-50.73	243.21	2.47	-48.26
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004602371	1	26	-1.0	-50.64	243.30	2.47	-48.17
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NC(=O)C1CC1	REAL250004602372	0	31	-1.0	-43.87	268.92	4.72	-39.15
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NC(=O)C1CC1	REAL250004602372	1	31	-1.0	-43.81	269.02	4.72	-39.09
O=C(CC1CCCS(=O)(=O)C1)NC1=N[N-]N=N1	REAL250004602373	0	29	-1.0	-52.64	250.79	0.77	-51.87
O=C(CC1CCCS(=O)(=O)C1)NC1=NN=N[N-]1	REAL250004602373	1	29	-1.0	-52.69	250.70	0.78	-51.91
COCCOCCC1=NC(C(=O)NC2=N[N-]N=N2)=CN1	REAL250004602374	0	34	-1.0	-48.83	303.01	1.10	-47.73
COCCOCCC1=NC(C(=O)NC2=NN=N[N-]2)=CN1	REAL250004602374	1	34	-1.0	-48.98	302.87	1.11	-47.87
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602375	0	33	-1.0	-45.35	288.15	6.57	-38.78
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602375	1	33	-1.0	-45.38	288.07	6.58	-38.80
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL250004602376	0	29	-1.0	-44.23	277.46	5.88	-38.35
CCC1=C(C(=O)NC2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL250004602376	1	29	-1.0	-44.18	277.57	5.88	-38.30
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004602377	0	31	-1.0	-55.36	258.86	6.45	-48.91
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004602377	1	31	-1.0	-55.45	258.76	6.47	-48.98
O=C(NC1=NN=N[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004602378	0	25	-1.0	-44.51	240.54	4.30	-40.21
O=C(NC1=N[N-]N=N1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004602378	1	25	-1.0	-44.44	240.63	4.30	-40.14
O=C(NC1=N[N-]N=N1)C1CCCN(C2=CC=CC=C2)C1=O	REAL250004602379	0	34	-1.0	-50.53	288.14	5.80	-44.73
O=C(NC1=NN=N[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL250004602379	1	34	-1.0	-50.62	288.05	5.81	-44.81
NC(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602380	0	30	-1.0	-49.02	268.09	2.06	-46.96
NC(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602380	1	30	-1.0	-49.08	267.99	2.08	-47.00
CC(C(=O)NC1=N[N-]N=N1)N(C(=O)OC(C)(C)C)C1CC1	REAL250004602381	0	40	-1.0	-46.18	315.21	5.19	-40.99
CC(C(=O)NC1=NN=N[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL250004602381	1	40	-1.0	-46.25	315.12	5.20	-41.05
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004602382	0	27	-1.0	-44.48	261.96	6.22	-38.26
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004602382	1	27	-1.0	-44.42	262.06	6.21	-38.21
COCCOCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602383	0	34	-1.0	-47.99	297.95	3.77	-44.22
COCCOCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602383	1	34	-1.0	-47.92	298.05	3.75	-44.17
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL250004602384	0	29	-1.0	-45.03	252.22	5.42	-39.61
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)CCCC2=C1	REAL250004602384	1	29	-1.0	-44.96	252.32	5.40	-39.56
CC1=CC=C(Br)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004602385	0	26	-1.0	-43.57	248.22	5.26	-38.31
CC1=CC=C(Br)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004602385	1	26	-1.0	-43.54	248.31	5.25	-38.29
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1Br	REAL250004602386	0	20	-1.0	-46.48	209.38	4.46	-42.02
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1Br	REAL250004602386	1	20	-1.0	-46.35	209.48	4.45	-41.90
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004602387	0	26	-1.0	-44.88	243.64	3.21	-41.67
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004602387	1	26	-1.0	-44.90	243.54	3.22	-41.68
O=C(NC1=N[N-]N=N1)C1=NOC(CN2C=CC=N2)=C1	REAL250004602388	0	26	-1.0	-49.02	250.52	2.90	-46.12
O=C(NC1=NN=N[N-]1)C1=NOC(CN2C=CC=N2)=C1	REAL250004602388	1	26	-1.0	-49.07	250.42	2.90	-46.17
CC1=CC=C2SN=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602389	0	25	-1.0	-46.10	239.45	4.46	-41.64
CC1=CC=C2SN=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602389	1	25	-1.0	-46.02	239.55	4.45	-41.57
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004602390	0	30	-1.0	-47.65	276.60	-1.51	-49.16
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004602390	1	30	-1.0	-47.76	276.50	-1.50	-49.26
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL250004602391	0	26	-1.0	-42.73	249.38	5.63	-37.10
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL250004602391	1	26	-1.0	-42.80	249.28	5.65	-37.15
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1=N[N-]N=N1	REAL250004602392	0	33	-1.0	-45.61	283.07	4.77	-40.84
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1=NN=N[N-]1	REAL250004602392	1	33	-1.0	-45.65	282.97	4.79	-40.86
COC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004602393	0	36	-1.0	-44.95	286.59	5.38	-39.57
COC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004602393	1	36	-1.0	-45.01	286.49	5.39	-39.62
O=C(CC1=C(Br)C=CS1)NC1=N[N-]N=N1	REAL250004602394	0	20	-1.0	-43.20	221.82	4.12	-39.08
O=C(CC1=C(Br)C=CS1)NC1=NN=N[N-]1	REAL250004602394	1	20	-1.0	-43.28	221.73	4.14	-39.14
COC1=CC=CC(OCCC(=O)NC2=N[N-]N=N2)=C1	REAL250004602395	0	31	-1.0	-44.33	271.51	3.40	-40.93
COC1=CC=CC(OCCC(=O)NC2=NN=N[N-]2)=C1	REAL250004602395	1	31	-1.0	-44.42	271.41	3.42	-41.00
CN(C)C1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C=C1	REAL250004602396	0	35	-1.0	-47.67	288.87	5.90	-41.77
CN(C)C1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C=C1	REAL250004602396	1	35	-1.0	-47.76	288.78	5.92	-41.84
O=C(NC1=N[N-]N=N1)C1=C(NC2=CC=CN=C2)SC=N1	REAL250004602397	0	27	-1.0	-47.70	257.05	1.90	-45.80
O=C(NC1=NN=N[N-]1)C1=C(NC2=CC=CN=C2)SC=N1	REAL250004602397	1	27	-1.0	-47.75	256.94	1.91	-45.84
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1=N[N-]N=N1	REAL250004602398	0	31	-1.0	-51.87	268.68	3.72	-48.15
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1=NN=N[N-]1	REAL250004602398	1	31	-1.0	-51.95	268.59	3.73	-48.22
CN1CCC2=C(C1)C1=CC(C(=O)NC3=NN=N[N-]3)=CC=C1N2	REAL250004602399	0	36	-1.0	-49.83	298.14	3.74	-46.09
CN1CCC2=C(C1)C1=CC(C(=O)NC3=N[N-]N=N3)=CC=C1N2	REAL250004602399	1	36	-1.0	-49.74	298.24	3.73	-46.01
CC(C)(C)OC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004602400	0	32	-1.0	-44.12	265.03	3.05	-41.07
CC(C)(C)OC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004602400	1	32	-1.0	-44.09	265.13	3.05	-41.04
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004602401	0	40	-1.0	-52.08	318.16	4.98	-47.10
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004602401	1	40	-1.0	-52.16	318.07	5.00	-47.16
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NC2=NN=N[N-]2)=C1F	REAL250004602402	0	25	-1.0	-48.05	250.27	5.02	-43.03
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NC2=N[N-]N=N2)=C1F	REAL250004602402	1	25	-1.0	-48.03	250.37	5.00	-43.03
CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2C=C1	REAL250004602403	0	28	-1.0	-46.57	252.23	4.91	-41.66
CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2C=C1	REAL250004602403	1	28	-1.0	-46.50	252.32	4.90	-41.60
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N1C	REAL250004602404	0	27	-1.0	-42.12	244.55	3.78	-38.34
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N1C	REAL250004602404	1	27	-1.0	-42.07	244.65	3.78	-38.29
CC1=CC(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C12	REAL250004602405	0	29	-1.0	-49.28	256.90	3.41	-45.87
CC1=CC(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C12	REAL250004602405	1	29	-1.0	-49.20	257.00	3.40	-45.80
CS(=O)(=O)C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004602406	0	30	-1.0	-42.69	252.29	-0.94	-43.63
CS(=O)(=O)C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004602406	1	30	-1.0	-42.79	252.20	-0.93	-43.72
O=C(CC1=CC=CC(Cl)=C1F)NC1=N[N-]N=N1	REAL250004602407	0	23	-1.0	-47.82	233.75	5.02	-42.80
O=C(CC1=CC=CC(Cl)=C1F)NC1=NN=N[N-]1	REAL250004602407	1	23	-1.0	-47.89	233.65	5.03	-42.86
CC(C)OC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602408	0	33	-1.0	-46.49	282.25	6.07	-40.42
CC(C)OC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602408	1	33	-1.0	-46.62	282.15	6.08	-40.54
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004602409	0	32	-1.0	-49.23	269.21	4.04	-45.19
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004602409	1	32	-1.0	-49.28	269.12	4.06	-45.22
O=C(NC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL250004602410	0	24	-1.0	-39.05	247.55	2.60	-36.45
O=C(NC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL250004602410	1	24	-1.0	-39.10	247.46	2.61	-36.49
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL250004602411	0	33	-1.0	-44.16	270.90	6.98	-37.18
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCCC2)C=C1	REAL250004602411	1	33	-1.0	-44.09	270.99	6.96	-37.13
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2Cl)C1	REAL250004602412	0	32	-1.0	-42.78	278.03	4.54	-38.24
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL250004602412	1	32	-1.0	-42.84	277.94	4.55	-38.29
CC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004602413	0	26	-1.0	-44.20	247.85	5.89	-38.31
CC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004602413	1	26	-1.0	-44.18	247.96	5.88	-38.30
O=C(CCCC1=CC=CC=C1Cl)NC1=N[N-]N=N1	REAL250004602414	0	29	-1.0	-46.66	267.71	6.43	-40.23
O=C(CCCC1=CC=CC=C1Cl)NC1=NN=N[N-]1	REAL250004602414	1	29	-1.0	-46.74	267.62	6.45	-40.29
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=N[N-]N=N1	REAL250004602415	0	35	-1.0	-60.37	291.73	5.47	-54.90
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=NN=N[N-]1	REAL250004602415	1	35	-1.0	-60.45	291.64	5.48	-54.97
O=C(COC1=CC(F)=CC(F)=C1)NC1=N[N-]N=N1	REAL250004602416	0	24	-1.0	-45.05	233.89	4.45	-40.60
O=C(COC1=CC(F)=CC(F)=C1)NC1=NN=N[N-]1	REAL250004602416	1	24	-1.0	-45.16	233.79	4.46	-40.70
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2F)C1	REAL250004602417	0	32	-1.0	-43.36	269.88	4.02	-39.34
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL250004602417	1	32	-1.0	-43.41	269.78	4.03	-39.38
COC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)C(C)=CO1	REAL250004602418	0	29	-1.0	-47.53	271.48	4.03	-43.50
COC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)C(C)=CO1	REAL250004602418	1	29	-1.0	-47.47	271.58	4.01	-43.46
O=C(NC1=NN=N[N-]1)C1(C2=CC=CN=C2)CCCC1	REAL250004602419	0	32	-1.0	-44.75	261.73	5.11	-39.64
O=C(NC1=N[N-]N=N1)C1(C2=CC=CN=C2)CCCC1	REAL250004602419	1	32	-1.0	-44.67	261.83	5.09	-39.58
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CCCC2)C=C1	REAL250004602420	0	31	-1.0	-43.94	268.03	7.15	-36.79
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CCCC2)C=C1	REAL250004602420	1	31	-1.0	-43.86	268.21	7.13	-36.73
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004602421	0	32	-1.0	-41.91	270.87	6.33	-35.58
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004602421	1	32	-1.0	-41.83	270.96	6.32	-35.51
CN(C)C1=NC(N)=NC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602422	0	27	-1.0	-45.13	247.08	4.56	-40.57
CN(C)C1=NC(N)=NC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602422	1	27	-1.0	-45.13	247.17	4.53	-40.60
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004602423	0	31	-1.0	-46.88	266.63	2.32	-44.56
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004602423	1	31	-1.0	-46.82	266.72	2.30	-44.52
CSCC1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004602424	0	26	-1.0	-47.65	243.57	3.98	-43.67
CSCC1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004602424	1	26	-1.0	-47.54	243.67	3.96	-43.58
CC1=NC(C(=O)NC2=N[N-]N=N2)=C(Br)S1	REAL250004602425	0	19	-1.0	-44.54	214.45	2.23	-42.31
CC1=NC(C(=O)NC2=NN=N[N-]2)=C(Br)S1	REAL250004602425	1	19	-1.0	-44.66	214.35	2.25	-42.41
CCOC(=O)NC1=C(C(=O)NC2=N[N-]N=N2)N=CS1	REAL250004602426	0	27	-1.0	-43.69	260.41	0.50	-43.19
CCOC(=O)NC1=C(C(=O)NC2=NN=N[N-]2)N=CS1	REAL250004602426	1	27	-1.0	-43.80	260.31	0.51	-43.29
O=C(NC1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL250004602427	0	22	-1.0	-42.94	223.09	3.14	-39.80
O=C(NC1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL250004602427	1	22	-1.0	-42.88	223.18	3.13	-39.75
CS(=O)(=O)C1=CN=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602428	0	24	-1.0	-49.41	241.27	-2.43	-51.84
CS(=O)(=O)C1=CN=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602428	1	24	-1.0	-49.35	241.36	-2.43	-51.78
NC1=NC(C(=O)NC2=NN=N[N-]2)=NC(N2CCOCC2)=N1	REAL250004602429	0	32	-1.0	-44.30	279.10	2.42	-41.88
NC1=NC(C(=O)NC2=N[N-]N=N2)=NC(N2CCOCC2)=N1	REAL250004602429	1	32	-1.0	-44.26	279.19	2.40	-41.86
O=C(NC1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL250004602430	0	25	-1.0	-43.79	246.47	-0.05	-43.84
O=C(NC1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL250004602430	1	25	-1.0	-43.71	246.57	-0.05	-43.76
CC1=CC=CC=C1C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004602431	0	36	-1.0	-47.67	271.85	7.07	-40.60
CC1=CC=CC=C1C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004602431	1	36	-1.0	-47.66	271.76	7.08	-40.58
O=C(NC1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL250004602432	0	30	-1.0	-43.93	261.19	0.98	-42.95
O=C(NC1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL250004602432	1	30	-1.0	-43.88	261.30	0.96	-42.92
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=N[N-]N=N1	REAL250004602433	0	34	-1.0	-57.77	296.37	0.71	-57.06
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=NN=N[N-]1	REAL250004602433	1	34	-1.0	-57.89	296.27	0.74	-57.15
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL250004602434	0	34	-1.0	-50.96	280.46	3.20	-47.76
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL250004602434	1	34	-1.0	-50.91	280.56	3.19	-47.72
CN1C=C(C2=NC=CC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602435	0	29	-1.0	-51.32	259.12	3.27	-48.05
CN1C=C(C2=NC=CC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602435	1	29	-1.0	-51.23	259.23	3.26	-47.97
O=C(NC1=NN=N[N-]1)C1=CNC(C2=CC=CC=C2)=N1	REAL250004602436	0	27	-1.0	-48.71	249.99	4.24	-44.47
O=C(NC1=N[N-]N=N1)C1=CNC(C2=CC=CC=C2)=N1	REAL250004602436	1	27	-1.0	-48.56	250.12	4.22	-44.34
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC(=O)C1	REAL250004602437	0	29	-1.0	-48.66	257.85	5.12	-43.54
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC(=O)C1	REAL250004602437	1	29	-1.0	-48.61	257.94	5.11	-43.50
CC1=CC=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004602438	0	23	-1.0	-46.79	230.69	4.72	-42.07
CC1=CC=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004602438	1	23	-1.0	-46.76	230.79	4.72	-42.04
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004602439	0	25	-1.0	-47.23	243.31	4.77	-42.46
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004602439	1	25	-1.0	-47.20	243.41	4.77	-42.43
CCOC(=O)C(CC(=O)NC1=N[N-]N=N1)C(C)=O	REAL250004602440	0	30	-1.0	-40.32	264.53	3.70	-36.62
CCOC(=O)C(CC(=O)NC1=NN=N[N-]1)C(C)=O	REAL250004602440	1	30	-1.0	-40.40	264.44	3.71	-36.69
COC1=C(Cl)C=C2NC=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602442	0	28	-1.0	-51.62	265.26	3.64	-47.98
COC1=C(Cl)C=C2NC=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602442	1	28	-1.0	-51.51	265.37	3.63	-47.88
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL250004602443	0	30	-1.0	-45.18	267.20	5.72	-39.46
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC=C2)OC1=O	REAL250004602443	1	30	-1.0	-45.11	267.29	5.71	-39.40
CC1=C2SC(C(=O)NC3=NN=N[N-]3)=CC2=CC=C1	REAL250004602444	0	26	-1.0	-44.70	246.79	5.86	-38.84
CC1=C2SC(C(=O)NC3=N[N-]N=N3)=CC2=CC=C1	REAL250004602444	1	26	-1.0	-44.64	246.89	5.84	-38.80
CN1N=NC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004602445	0	19	-1.0	-37.86	209.26	0.58	-37.28
CN1N=NC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004602445	1	19	-1.0	-37.81	209.36	0.56	-37.25
O=C(NC1=NN=N[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL250004602446	0	23	-1.0	-43.39	242.35	4.76	-38.63
O=C(NC1=N[N-]N=N1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL250004602446	1	23	-1.0	-43.29	242.44	4.75	-38.54
O=C(NC1=NN=N[N-]1)C1=NC=C(Br)S1	REAL250004602448	0	16	-1.0	-38.97	197.20	1.66	-37.31
O=C(NC1=N[N-]N=N1)C1=NC=C(Br)S1	REAL250004602448	1	16	-1.0	-38.88	197.31	1.64	-37.24
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004602449	0	26	-1.0	-57.59	233.86	3.22	-54.37
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)C=C2	REAL250004602449	1	26	-1.0	-57.49	233.96	3.21	-54.28
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004602450	0	33	-1.0	-44.48	288.03	6.38	-38.10
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004602450	1	33	-1.0	-44.59	287.94	6.40	-38.19
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602451	0	39	-1.0	-40.83	307.50	3.05	-37.78
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602451	1	39	-1.0	-40.84	307.41	3.07	-37.77
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL250004602452	0	26	-1.0	-46.66	247.39	2.84	-43.82
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)CSC2=C1	REAL250004602452	1	26	-1.0	-46.52	247.49	2.84	-43.68
CCCC1=NN=C(SCC(=O)NC2=N[N-]N=N2)N1N	REAL250004602453	0	31	-1.0	-44.35	289.04	3.55	-40.80
CCCC1=NN=C(SCC(=O)NC2=NN=N[N-]2)N1N	REAL250004602453	1	31	-1.0	-44.44	288.95	3.55	-40.89
O=C(NC1=N[N-]N=N1)C12CCC(C(F)(F)F)(CC1)CC2	REAL250004602454	0	33	-1.0	-41.93	267.87	5.60	-36.33
O=C(NC1=NN=N[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL250004602454	1	33	-1.0	-41.99	267.78	5.61	-36.38
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004602455	0	28	-1.0	-49.06	256.36	5.66	-43.40
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004602455	1	28	-1.0	-49.17	256.27	5.68	-43.49
CC1(C)COC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004602456	0	31	-1.0	-44.97	264.12	4.77	-40.20
CC1(C)COC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004602456	1	31	-1.0	-44.93	264.22	4.77	-40.16
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004602457	0	25	-1.0	-48.59	242.69	3.64	-44.95
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004602457	1	25	-1.0	-48.66	242.60	3.65	-45.01
O=C(NC1=N[N-]N=N1)C1CCOC(C2=CC=CC=C2)O1	REAL250004602458	0	32	-1.0	-49.83	276.37	5.06	-44.77
O=C(NC1=NN=N[N-]1)C1CCOC(C2=CC=CC=C2)O1	REAL250004602458	1	32	-1.0	-49.94	276.28	5.07	-44.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL250004602459	0	29	-1.0	-49.89	274.05	5.67	-44.22
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL250004602459	1	29	-1.0	-49.95	273.95	5.68	-44.27
COC1=CC=CC2=C(C(=O)NC3=NN=N[N-]3)NN=C21	REAL250004602460	0	27	-1.0	-45.25	243.88	1.81	-43.44
COC1=CC=CC2=C(C(=O)NC3=N[N-]N=N3)NN=C21	REAL250004602460	1	27	-1.0	-45.17	243.99	1.80	-43.37
COC1=C2NN=C(C(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004602460	1	27	-1.0	-46.35	245.78	1.77	-44.58
COC1=C2NN=C(C(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004602460	1	27	-1.0	-46.25	245.88	1.76	-44.49
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CS2)CCCCC1	REAL250004602462	0	36	-1.0	-50.19	292.02	6.94	-43.25
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL250004602462	1	36	-1.0	-50.33	291.93	6.95	-43.38
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602463	0	22	-1.0	-37.18	230.87	3.55	-33.63
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602463	1	22	-1.0	-37.22	230.77	3.55	-33.67
CC1=NOC(CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C)=C1	REAL250004602464	0	31	-1.0	-47.64	283.80	2.68	-44.96
CC1=NOC(CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C)=C1	REAL250004602464	1	31	-1.0	-47.74	283.69	2.69	-45.05
CCOC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602465	0	29	-1.0	-43.33	264.02	5.40	-37.93
CCOC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602465	1	29	-1.0	-43.23	264.11	5.39	-37.84
CC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL250004602466	0	26	-1.0	-42.35	247.52	5.91	-36.44
CC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL250004602466	1	26	-1.0	-42.24	247.62	5.90	-36.34
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1	REAL250004602467	0	24	-1.0	-42.89	236.47	3.01	-39.88
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1	REAL250004602467	1	24	-1.0	-42.95	236.37	3.03	-39.92
O=C(NC1=NN=N[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL250004602468	0	28	-1.0	-41.45	254.63	4.53	-36.92
O=C(NC1=N[N-]N=N1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL250004602468	1	28	-1.0	-41.41	254.73	4.52	-36.89
COC1=CC=C(C2=C(C(=O)NC3=NN=N[N-]3)N=CO2)C=C1	REAL250004602469	0	30	-1.0	-46.74	272.32	1.51	-45.23
COC1=CC=C(C2=C(C(=O)NC3=N[N-]N=N3)N=CO2)C=C1	REAL250004602469	1	30	-1.0	-46.69	272.41	1.49	-45.20
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=NN=N[N-]1	REAL250004602470	0	34	-1.0	-45.15	279.69	5.87	-39.28
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=N[N-]N=N1	REAL250004602470	1	34	-1.0	-45.10	279.79	5.84	-39.26
CN1C(CC(=O)NC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL250004602471	0	32	-1.0	-55.54	282.05	5.82	-49.72
CN1C(CC(=O)NC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL250004602471	1	32	-1.0	-55.64	281.96	5.84	-49.80
O=C(NC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC=N1	REAL250004602472	0	26	-1.0	-53.93	240.60	2.79	-51.14
O=C(NC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC=N1	REAL250004602472	1	26	-1.0	-53.88	240.70	2.78	-51.10
CC(=O)C1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL250004602473	0	34	-1.0	-49.64	301.81	6.09	-43.55
CC(=O)C1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL250004602473	1	34	-1.0	-49.70	301.71	6.11	-43.59
O=C(CCSC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004602474	0	27	-1.0	-41.90	269.07	6.24	-35.66
O=C(CCSC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004602474	1	27	-1.0	-41.98	268.98	6.26	-35.72
O=C(NC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL250004602475	0	22	-1.0	-41.03	221.52	3.01	-38.02
O=C(NC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL250004602475	1	22	-1.0	-40.97	221.62	3.01	-37.96
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1F	REAL250004602476	0	24	-1.0	-41.73	237.53	3.17	-38.56
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1F	REAL250004602476	1	24	-1.0	-41.81	237.43	3.19	-38.62
O=C(NC1=NN=N[N-]1)C1=CC2=C(N1)SC(Cl)=C2	REAL250004602477	0	21	-1.0	-40.55	228.52	3.45	-37.10
O=C(NC1=N[N-]N=N1)C1=CC2=C(N1)SC(Cl)=C2	REAL250004602477	1	21	-1.0	-40.51	228.62	3.44	-37.07
COC(C)(C)C1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602478	0	32	-1.0	-43.47	279.22	2.34	-41.13
COC(C)(C)C1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602478	1	32	-1.0	-43.58	279.11	2.35	-41.23
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=N[N-]N=N1	REAL250004602479	0	26	-1.0	-48.97	254.63	3.32	-45.65
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=NN=N[N-]1	REAL250004602479	1	26	-1.0	-49.00	254.53	3.33	-45.67
CC(C(=O)NC1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL250004602480	0	29	-1.0	-46.55	261.76	3.43	-43.12
CC(C(=O)NC1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL250004602480	1	29	-1.0	-46.47	261.86	3.41	-43.06
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=N[N-]N=N1	REAL250004602481	0	34	-1.0	-44.07	289.72	4.34	-39.73
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=NN=N[N-]1	REAL250004602481	1	34	-1.0	-44.13	289.62	4.35	-39.78
CC1(C2=NC=C(C(=O)NC3=NN=N[N-]3)S2)OCCO1	REAL250004602482	0	28	-1.0	-44.99	263.72	1.26	-43.73
CC1(C2=NC=C(C(=O)NC3=N[N-]N=N3)S2)OCCO1	REAL250004602482	1	28	-1.0	-44.92	263.82	1.25	-43.67
O=C(CCCC(O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004602483	0	33	-1.0	-47.59	283.63	3.72	-43.87
O=C(CCCC(O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004602483	1	33	-1.0	-47.63	283.54	3.74	-43.89
CC(C)(C)OC(=O)NC1=C(C(=O)NC2=N[N-]N=N2)OC=C1	REAL250004602484	0	34	-1.0	-44.42	289.08	2.22	-42.20
CC(C)(C)OC(=O)NC1=C(C(=O)NC2=NN=N[N-]2)OC=C1	REAL250004602484	1	34	-1.0	-44.50	288.97	2.22	-42.28
O=C(NC1=N[N-]N=N1)C1CN(C(=O)C2CCCCC2)C1	REAL250004602485	0	37	-1.0	-46.80	302.63	4.54	-42.26
O=C(NC1=NN=N[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL250004602485	1	37	-1.0	-46.86	302.54	4.54	-42.32
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL250004602486	0	31	-1.0	-47.83	269.57	5.12	-42.71
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL250004602486	1	31	-1.0	-47.86	269.47	5.13	-42.73
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL250004602487	0	34	-1.0	-47.34	293.33	5.01	-42.33
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL250004602487	1	34	-1.0	-47.32	293.43	5.01	-42.31
CC(C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004602488	0	29	-1.0	-44.95	262.37	5.99	-38.96
CC(C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004602488	1	29	-1.0	-44.86	262.46	5.97	-38.89
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004602489	0	28	-1.0	-44.62	244.95	4.85	-39.77
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004602489	1	28	-1.0	-44.58	245.04	4.84	-39.74
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602490	0	33	-1.0	-44.57	283.96	6.50	-38.07
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602490	1	33	-1.0	-44.62	283.86	6.50	-38.12
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004602491	0	25	-1.0	-51.07	249.46	6.19	-44.88
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004602491	1	25	-1.0	-50.96	249.59	6.18	-44.78
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL250004602492	0	30	-1.0	-50.86	273.36	6.62	-44.24
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL250004602492	1	30	-1.0	-50.89	273.27	6.64	-44.25
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL250004602493	0	30	-1.0	-44.25	278.79	6.82	-37.43
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL250004602493	1	30	-1.0	-44.33	278.70	6.83	-37.50
O=C(COCC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004602494	0	27	-1.0	-48.59	263.36	5.33	-43.26
O=C(COCC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004602494	1	27	-1.0	-48.64	263.26	5.34	-43.30
CC1=CC=C(OC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2)C=C1	REAL250004602495	0	33	-1.0	-42.99	294.70	5.62	-37.37
CC1=CC=C(OC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2)C=C1	REAL250004602495	1	33	-1.0	-42.92	294.80	5.62	-37.30
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CO1	REAL250004602496	0	17	-1.0	-41.43	193.33	2.45	-38.98
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CO1	REAL250004602496	1	17	-1.0	-41.35	193.44	2.43	-38.92
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL250004602497	0	30	-1.0	-55.47	263.55	0.39	-55.08
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL250004602497	1	30	-1.0	-55.35	263.66	0.37	-54.98
CCON1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004602498	0	35	-1.0	-45.80	284.17	3.49	-42.31
CCON1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004602498	1	35	-1.0	-45.84	284.08	3.50	-42.34
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004602499	0	33	-1.0	-43.98	294.21	5.62	-38.36
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004602499	1	33	-1.0	-43.89	294.31	5.63	-38.26
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=N[N-]N=N1	REAL250004602500	0	37	-1.0	-47.03	306.03	6.73	-40.30
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=NN=N[N-]1	REAL250004602500	1	37	-1.0	-47.09	305.93	6.75	-40.34
CC1=CC=CC(OC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C2)=C1	REAL250004602501	0	33	-1.0	-43.96	296.45	5.65	-38.31
CC1=CC=CC(OC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C2)=C1	REAL250004602501	1	33	-1.0	-43.85	296.55	5.65	-38.20
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602502	0	32	-1.0	-42.03	279.88	6.64	-35.39
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602502	1	32	-1.0	-42.09	279.78	6.64	-35.45
O=C(NC1=NN=N[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL250004602503	0	23	-1.0	-60.55	225.70	3.06	-57.49
O=C(NC1=N[N-]N=N1)C1=C(N2C=CN=N2)C=CS1	REAL250004602503	1	23	-1.0	-60.47	225.81	3.05	-57.42
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=N[N-]N=N1	REAL250004602504	0	31	-1.0	-44.65	271.22	7.09	-37.56
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=NN=N[N-]1	REAL250004602504	1	31	-1.0	-44.71	271.12	7.10	-37.61
CC1=CC(Br)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602505	0	20	-1.0	-43.98	219.00	4.23	-39.75
CC1=CC(Br)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602505	1	20	-1.0	-43.92	219.10	4.21	-39.71
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004602506	0	40	-1.0	-45.43	318.01	3.71	-41.72
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004602506	1	40	-1.0	-45.51	317.91	3.72	-41.79
COC(=O)C1=C(CCC(=O)NC2=NN=N[N-]2)OC=N1	REAL250004602507	0	28	-1.0	-49.41	261.98	0.59	-48.82
COC(=O)C1=C(CCC(=O)NC2=N[N-]N=N2)OC=N1	REAL250004602507	1	28	-1.0	-49.35	262.07	0.57	-48.78
NS(=O)(=O)C1=C(C(=O)NC2=NN=N[N-]2)SC=C1	REAL250004602509	0	22	-1.0	-48.41	227.38	-1.15	-49.56
NS(=O)(=O)C1=C(C(=O)NC2=N[N-]N=N2)SC=C1	REAL250004602509	1	22	-1.0	-48.38	227.48	-1.15	-49.53
NS(=O)(=O)C1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602511	0	29	-1.0	-52.88	275.22	-0.72	-53.60
NS(=O)(=O)C1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602511	1	29	-1.0	-52.96	275.13	-0.71	-53.67
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1=N[N-]N=N1	REAL250004602512	0	28	-1.0	-45.56	270.45	3.23	-42.33
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1=NN=N[N-]1	REAL250004602512	1	28	-1.0	-45.66	270.35	3.24	-42.42
CCOC(CN1C=C(C(=O)NC2=NN=N[N-]2)C=N1)OCC	REAL250004602515	0	37	-1.0	-46.00	316.47	3.43	-42.57
CCOC(CN1C=C(C(=O)NC2=N[N-]N=N2)C=N1)OCC	REAL250004602515	1	37	-1.0	-45.94	316.57	3.42	-42.52
CCC1(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)COC1	REAL250004602516	0	33	-1.0	-46.59	281.27	1.67	-44.92
CCC1(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)COC1	REAL250004602516	1	33	-1.0	-46.53	281.37	1.65	-44.88
O=C(NC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250004602518	0	21	-1.0	-40.03	219.20	1.22	-38.81
O=C(NC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL250004602518	1	21	-1.0	-39.92	219.30	1.21	-38.71
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=N[N-]N=N1	REAL250004602519	0	34	-1.0	-57.95	282.61	3.79	-54.16
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=NN=N[N-]1	REAL250004602519	1	34	-1.0	-58.00	282.52	3.80	-54.20
CNC1=NC=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004602520	0	29	-1.0	-49.80	257.23	4.01	-45.79
CNC1=NC=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004602520	1	29	-1.0	-49.72	257.32	4.00	-45.72
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL250004602521	0	33	-1.0	-42.63	277.79	2.70	-39.93
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL250004602521	1	33	-1.0	-42.57	277.89	2.68	-39.89
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004602522	0	20	-1.0	-43.78	213.40	2.04	-41.74
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004602522	1	20	-1.0	-43.69	213.50	2.02	-41.67
COC1=CC(Cl)=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602523	0	24	-1.0	-46.18	237.59	3.68	-42.50
COC1=CC(Cl)=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602523	1	24	-1.0	-46.11	237.69	3.65	-42.46
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602524	0	30	-1.0	-45.02	272.88	5.63	-39.39
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602524	1	30	-1.0	-44.94	272.98	5.62	-39.32
CCSC1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004602525	0	26	-1.0	-49.67	240.94	3.92	-45.75
CCSC1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004602525	1	26	-1.0	-49.62	241.04	3.90	-45.72
C[C@H](C(=O)NC1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL250004602526	0	30	-1.0	-53.63	270.90	4.82	-48.81
C[C@H](C(=O)NC1=NN=N[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL250004602526	1	30	-1.0	-53.70	270.81	4.84	-48.86
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004602527	0	29	-1.0	-48.99	246.50	6.60	-42.39
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004602527	1	29	-1.0	-48.87	246.60	6.60	-42.27
O=C(NC1=N[N-]N=N1)C1=C(Br)N=C2CCCN21	REAL250004602528	0	24	-1.0	-47.60	232.06	3.83	-43.77
O=C(NC1=NN=N[N-]1)C1=C(Br)N=C2CCCN21	REAL250004602528	1	24	-1.0	-47.70	231.96	3.84	-43.86
CN1C=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)O2)C=N1	REAL250004602529	0	27	-1.0	-46.03	256.27	3.45	-42.58
CN1C=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)C=N1	REAL250004602529	1	27	-1.0	-45.99	256.38	3.44	-42.55
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=N[N-]N=N1	REAL250004602530	0	27	-1.0	-46.83	260.84	4.87	-41.96
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=NN=N[N-]1	REAL250004602530	1	27	-1.0	-46.87	260.75	4.89	-41.98
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602531	0	30	-1.0	-41.73	267.28	5.11	-36.62
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602531	1	30	-1.0	-41.66	267.38	5.10	-36.56
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004602532	0	37	-1.0	-47.05	298.63	5.93	-41.12
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004602532	1	37	-1.0	-47.06	298.54	5.95	-41.11
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004602534	0	30	-1.0	-43.65	278.59	6.53	-37.12
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004602534	1	30	-1.0	-43.75	278.49	6.54	-37.21
CCC(O)(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602535	0	33	-1.0	-46.21	268.81	4.38	-41.83
CCC(O)(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602535	1	33	-1.0	-46.33	268.71	4.39	-41.94
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL250004602536	0	27	-1.0	-42.76	255.52	4.93	-37.83
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL250004602536	1	27	-1.0	-42.68	255.62	4.92	-37.76
CN1N=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004602537	0	20	-1.0	-39.96	214.29	2.03	-37.93
CN1N=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004602537	1	20	-1.0	-39.88	214.39	2.02	-37.86
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CN1	REAL250004602538	0	28	-1.0	-48.81	250.25	5.26	-43.55
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CN1	REAL250004602538	1	28	-1.0	-48.72	250.35	5.25	-43.47
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL250004602539	0	27	-1.0	-45.30	271.97	6.79	-38.51
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL250004602539	1	27	-1.0	-45.37	271.88	6.81	-38.56
O=C(CC1CSC2=CC=CC=C2O1)NC1=N[N-]N=N1	REAL250004602540	0	29	-1.0	-50.40	264.85	5.77	-44.63
O=C(CC1CSC2=CC=CC=C2O1)NC1=NN=N[N-]1	REAL250004602540	1	29	-1.0	-50.48	264.75	5.78	-44.70
O=C(NC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004602541	0	33	-1.0	-47.81	290.21	8.26	-39.55
O=C(NC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004602541	1	33	-1.0	-47.78	290.30	8.24	-39.54
CC(C)OC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004602543	0	32	-1.0	-41.98	282.62	6.10	-35.88
CC(C)OC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004602543	1	32	-1.0	-41.89	282.72	6.07	-35.82
CC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004602544	0	29	-1.0	-44.46	260.31	4.24	-40.22
CC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004602544	1	29	-1.0	-44.42	260.41	4.22	-40.20
CCOC1=CC=C(CC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602545	0	36	-1.0	-43.71	300.24	5.96	-37.75
CCOC1=CC=C(CC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602545	1	36	-1.0	-43.77	300.15	5.99	-37.78
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004602546	0	29	-1.0	-46.50	268.28	6.49	-40.01
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004602546	1	29	-1.0	-46.55	268.19	6.51	-40.04
CC1(C)CC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004602547	0	34	-1.0	-44.92	277.36	5.48	-39.44
CC1(C)CC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004602547	1	34	-1.0	-44.94	277.27	5.50	-39.44
CCC(CC)OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602548	0	36	-1.0	-44.64	292.55	6.07	-38.57
CCC(CC)OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602548	1	36	-1.0	-44.55	292.65	6.06	-38.49
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=N[N-]N=N1	REAL250004602549	0	35	-1.0	-51.09	296.30	4.17	-46.92
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=NN=N[N-]1	REAL250004602549	1	35	-1.0	-51.14	296.20	4.19	-46.95
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL250004602550	0	28	-1.0	-49.20	260.91	6.20	-43.00
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL250004602550	1	28	-1.0	-49.28	260.81	6.22	-43.06
CS(=O)(=O)C1=CC=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004602551	0	25	-1.0	-50.54	232.79	0.61	-49.93
CS(=O)(=O)C1=CC=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004602551	1	25	-1.0	-50.49	232.88	0.60	-49.89
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=N1	REAL250004602552	0	32	-1.0	-44.52	279.45	4.74	-39.78
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL250004602552	1	32	-1.0	-44.58	279.35	4.74	-39.84
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004602553	0	27	-1.0	-43.92	256.79	6.34	-37.58
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004602553	1	27	-1.0	-43.98	256.70	6.36	-37.62
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004602554	0	31	-1.0	-48.79	268.44	5.17	-43.62
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004602554	1	31	-1.0	-48.86	268.35	5.19	-43.67
CCC1=CC=CC=C1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004602555	0	32	-1.0	-44.46	279.19	4.99	-39.47
CCC1=CC=CC=C1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004602555	1	32	-1.0	-44.38	279.29	4.98	-39.40
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL250004602556	0	26	-1.0	-44.71	248.48	3.13	-41.58
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL250004602556	1	26	-1.0	-44.77	248.38	3.15	-41.62
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004602557	0	25	-1.0	-44.54	239.70	1.74	-42.80
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004602557	1	25	-1.0	-44.47	239.80	1.72	-42.75
CCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1=CC=CC=C1	REAL250004602558	0	35	-1.0	-45.47	305.50	5.12	-40.35
CCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1=CC=CC=C1	REAL250004602558	1	35	-1.0	-45.53	305.41	5.14	-40.39
O=C(NC1=NN=N[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL250004602559	0	26	-1.0	-48.53	256.60	2.67	-45.86
O=C(NC1=N[N-]N=N1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL250004602559	1	26	-1.0	-48.47	256.70	2.66	-45.81
O=C(NC1=NN=N[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL250004602560	0	25	-1.0	-39.43	254.02	4.55	-34.88
O=C(NC1=N[N-]N=N1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL250004602560	1	25	-1.0	-39.38	254.12	4.55	-34.83
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CCC1	REAL250004602561	0	40	-1.0	-40.73	315.02	3.62	-37.11
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CCC1	REAL250004602561	1	40	-1.0	-40.80	314.92	3.63	-37.17
CC(C)=CCOC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004602562	0	37	-1.0	-47.56	315.82	6.74	-40.82
CC(C)=CCOC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004602562	1	37	-1.0	-47.64	315.73	6.76	-40.88
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL250004602563	0	26	-1.0	-48.68	258.63	5.06	-43.62
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL250004602563	1	26	-1.0	-48.59	258.74	5.05	-43.54
O=C(NC1=N[N-]N=N1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004602564	0	34	-1.0	-52.23	271.50	6.08	-46.15
O=C(NC1=NN=N[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004602564	1	34	-1.0	-52.31	271.40	6.09	-46.22
COC1=CC=C2ON=C(CC(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602565	0	29	-1.0	-51.28	265.04	3.08	-48.20
COC1=CC=C2ON=C(CC(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602565	1	29	-1.0	-51.39	264.95	3.09	-48.30
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=N[N-]N=N1	REAL250004602566	0	25	-1.0	-48.91	241.99	3.85	-45.06
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=NN=N[N-]1	REAL250004602566	1	25	-1.0	-48.96	241.90	3.87	-45.09
COC1CCCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004602567	0	34	-1.0	-49.65	272.53	3.08	-46.57
COC1CCCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004602567	1	34	-1.0	-49.67	272.44	3.09	-46.58
CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=N[N-]N=N2)C1	REAL250004602568	0	37	-1.0	-43.72	304.20	3.69	-40.03
CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=NN=N[N-]2)C1	REAL250004602568	1	37	-1.0	-43.78	304.10	3.70	-40.08
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004602569	0	40	-1.0	-50.09	327.76	3.51	-46.58
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004602569	1	40	-1.0	-50.12	327.67	3.51	-46.61
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602570	0	23	-1.0	-48.91	242.14	0.40	-48.51
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602570	1	23	-1.0	-48.80	242.25	0.39	-48.41
CN1N=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004602571	0	29	-1.0	-51.00	262.00	4.35	-46.65
CN1N=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004602571	1	29	-1.0	-50.94	262.10	4.33	-46.61
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004602572	0	28	-1.0	-43.49	247.66	5.68	-37.81
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004602572	1	28	-1.0	-43.43	247.79	5.66	-37.77
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004602573	0	30	-1.0	-47.49	261.28	5.94	-41.55
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004602573	1	30	-1.0	-47.40	261.38	5.93	-41.47
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL250004602574	0	33	-1.0	-47.51	293.46	5.34	-42.17
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL250004602574	1	33	-1.0	-47.42	293.56	5.33	-42.09
O=C(NC1=N[N-]N=N1)C1=C(C2CCOCC2)NN=C1	REAL250004602575	0	31	-1.0	-43.42	261.70	1.64	-41.78
O=C(NC1=NN=N[N-]1)C1=C(C2CCOCC2)NN=C1	REAL250004602575	1	31	-1.0	-43.52	261.60	1.64	-41.88
CC1CCC(C)(C=CC(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004602576	0	39	-1.0	-44.20	292.41	6.39	-37.81
CC1CCC(C)(C=CC(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004602576	1	39	-1.0	-44.28	292.32	6.40	-37.88
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=NN=N[N-]1	REAL250004602578	0	28	-1.0	-52.68	261.98	4.06	-48.62
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=N[N-]N=N1	REAL250004602578	1	28	-1.0	-52.63	262.47	4.05	-48.58
CNC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602580	0	25	-1.0	-46.31	234.91	3.12	-43.19
CNC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602580	1	25	-1.0	-46.28	235.01	3.10	-43.18
O=C(NC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004602581	0	30	-1.0	-46.80	260.11	6.20	-40.60
O=C(NC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004602581	1	30	-1.0	-46.82	259.99	6.20	-40.62
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL250004602582	0	37	-1.0	-47.36	306.20	3.82	-43.54
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL250004602582	1	37	-1.0	-47.49	306.10	3.83	-43.66
CCOC(=O)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602583	0	32	-1.0	-51.27	284.95	6.87	-44.40
CCOC(=O)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602583	1	32	-1.0	-51.22	285.04	6.86	-44.36
O=C(CC1=NSC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004602584	0	25	-1.0	-49.20	242.89	4.45	-44.75
O=C(CC1=NSC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004602584	1	25	-1.0	-49.24	242.80	4.47	-44.77
CC1=CC(C=CC(=O)NC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL250004602585	0	30	-1.0	-43.84	276.36	6.50	-37.34
CC1=CC(C=CC(=O)NC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL250004602585	1	30	-1.0	-43.90	276.25	6.50	-37.40
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1=CNN=C1	REAL250004602586	0	27	-1.0	-51.00	240.26	3.80	-47.20
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1=CNN=C1	REAL250004602586	1	27	-1.0	-50.90	240.36	3.79	-47.11
O=C(CCSC1=C2N=CNC2=NC=N1)NC1=N[N-]N=N1	REAL250004602587	0	28	-1.0	-52.47	270.55	4.69	-47.78
O=C(CCSC1=C2N=CNC2=NC=N1)NC1=NN=N[N-]1	REAL250004602587	1	28	-1.0	-52.53	270.46	4.71	-47.82
CCOCN1N=C(C)C(CC(=O)NC2=N[N-]N=N2)=C1C	REAL250004602588	0	36	-1.0	-49.70	308.74	2.75	-46.95
CCOCN1N=C(C)C(CC(=O)NC2=NN=N[N-]2)=C1C	REAL250004602588	1	36	-1.0	-49.75	308.65	2.77	-46.98
COC1=CC2=NC=C(C(=O)NC3=NN=N[N-]3)N2C=C1	REAL250004602589	0	27	-1.0	-45.81	242.48	3.42	-42.39
COC1=CC2=NC=C(C(=O)NC3=N[N-]N=N3)N2C=C1	REAL250004602589	1	27	-1.0	-45.69	242.59	3.40	-42.29
COC1=CC=CC(S(=O)CC(=O)NC2=N[N-]N=N2)=C1	REAL250004602590	0	29	-1.0	-57.24	272.17	1.86	-55.38
COC1=CC=CC(S(=O)CC(=O)NC2=NN=N[N-]2)=C1	REAL250004602590	1	29	-1.0	-57.36	272.07	1.86	-55.50
CC1=C(Br)C=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004602591	0	20	-1.0	-42.60	221.74	4.19	-38.41
CC1=C(Br)C=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004602591	1	20	-1.0	-42.53	221.85	4.18	-38.35
CCC(CC1=CC=CC=C1C)C(=O)NC1=N[N-]N=N1	REAL250004602592	0	35	-1.0	-43.15	279.35	6.61	-36.54
CCC(CC1=CC=CC=C1C)C(=O)NC1=NN=N[N-]1	REAL250004602592	1	35	-1.0	-43.19	279.28	6.62	-36.57
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=NN=N[N-]1	REAL250004602593	0	29	-1.0	-50.10	262.98	7.46	-42.64
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=N[N-]N=N1	REAL250004602593	1	29	-1.0	-49.97	263.07	7.44	-42.53
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=N[N-]N=N1	REAL250004602594	0	30	-1.0	-45.90	272.81	4.87	-41.03
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=NN=N[N-]1	REAL250004602594	1	30	-1.0	-45.96	272.71	4.88	-41.08
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Br)O1	REAL250004602595	0	20	-1.0	-40.24	210.77	3.31	-36.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Br)O1	REAL250004602595	1	20	-1.0	-40.19	210.87	3.30	-36.89
CC(=O)NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004602596	0	30	-1.0	-49.61	268.24	3.38	-46.23
CC(=O)NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004602596	1	30	-1.0	-49.67	268.15	3.40	-46.27
COC(=O)N1CC2CCC1C(C(=O)NC1=N[N-]N=N1)C2	REAL250004602597	0	35	-1.0	-56.62	280.76	4.36	-52.26
COC(=O)N1CC2CCC1C(C(=O)NC1=NN=N[N-]1)C2	REAL250004602597	1	35	-1.0	-56.71	280.67	4.37	-52.34
COC(=O)N1CC2C=CC1C(C(=O)NC1=N[N-]N=N1)C2	REAL250004602598	0	33	-1.0	-55.89	272.75	4.41	-51.48
COC(=O)N1CC2C=CC1C(C(=O)NC1=NN=N[N-]1)C2	REAL250004602598	1	33	-1.0	-55.96	272.66	4.43	-51.53
O=C(NC1=N[N-]N=N1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL250004602599	0	33	-1.0	-40.69	258.70	5.61	-35.08
O=C(NC1=NN=N[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL250004602599	1	33	-1.0	-40.72	258.57	5.62	-35.10
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004602600	0	34	-1.0	-50.45	287.66	2.95	-47.50
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004602600	1	34	-1.0	-50.53	287.57	2.96	-47.57
CC(C)(C)N1N=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004602601	0	31	-1.0	-45.29	256.25	2.65	-42.64
CC(C)(C)N1N=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004602601	1	31	-1.0	-45.27	256.36	2.63	-42.64
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602602	0	36	-1.0	-46.39	307.94	6.87	-39.52
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602602	1	36	-1.0	-46.36	308.04	6.86	-39.50
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1	REAL250004602603	0	33	-1.0	-44.24	275.51	6.82	-37.42
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1	REAL250004602603	1	33	-1.0	-44.24	275.42	6.83	-37.41
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC=CC(O)=C21	REAL250004602604	0	27	-1.0	-50.20	241.83	4.52	-45.68
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC=CC(O)=C21	REAL250004602604	1	27	-1.0	-50.10	241.93	4.51	-45.59
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=N[N-]N=N1	REAL250004602605	0	28	-1.0	-52.52	263.68	0.43	-52.09
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=NN=N[N-]1	REAL250004602605	1	28	-1.0	-52.61	263.59	0.45	-52.16
CN1C(C(=O)NC2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL250004602608	0	29	-1.0	-43.15	249.35	4.90	-38.25
CN1C(C(=O)NC2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL250004602608	1	29	-1.0	-43.07	249.44	4.89	-38.18
O=C(NC1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL250004602609	0	21	-1.0	-42.36	232.80	3.58	-38.78
O=C(NC1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)O1	REAL250004602609	1	21	-1.0	-42.26	232.91	3.57	-38.69
O=C(NC1=N[N-]N=N1)C1=CC=CC(O)=C1OC(F)(F)F	REAL250004602610	0	25	-1.0	-50.47	242.19	2.50	-47.97
O=C(NC1=NN=N[N-]1)C1=CC=CC(O)=C1OC(F)(F)F	REAL250004602610	1	25	-1.0	-50.53	242.09	2.51	-48.02
CC(C)(C)OC(=O)CC1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004602611	0	38	-1.0	-52.95	303.62	6.36	-46.59
CC(C)(C)OC(=O)CC1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004602611	1	38	-1.0	-52.99	303.53	6.38	-46.61
O=C(NC1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL250004602612	0	22	-1.0	-51.28	235.93	3.93	-47.35
O=C(NC1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL250004602612	1	22	-1.0	-51.24	236.03	3.92	-47.32
O=C(NC1=NN=N[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL250004602613	0	26	-1.0	-50.35	248.05	4.07	-46.28
O=C(NC1=N[N-]N=N1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL250004602613	1	26	-1.0	-50.24	248.15	4.06	-46.18
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004602614	0	27	-1.0	-44.03	254.79	5.03	-39.00
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004602614	1	27	-1.0	-43.97	254.89	5.03	-38.94
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004602615	0	32	-1.0	-43.12	267.05	4.98	-38.14
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004602615	1	32	-1.0	-43.18	266.95	5.00	-38.18
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=NN=N[N-]1	REAL250004602616	0	25	-1.0	-52.92	240.76	5.12	-47.80
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=N[N-]N=N1	REAL250004602616	1	25	-1.0	-52.87	240.86	5.09	-47.78
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004602617	0	27	-1.0	-39.23	253.76	5.47	-33.76
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004602617	1	27	-1.0	-39.19	253.86	5.46	-33.73
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=NN=N[N-]1	REAL250004602618	0	27	-1.0	-49.96	261.13	-1.58	-51.54
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=N[N-]N=N1	REAL250004602618	1	27	-1.0	-49.86	261.22	-1.59	-51.45
NC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004602619	0	23	-1.0	-43.26	222.98	1.62	-41.64
NC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004602619	1	23	-1.0	-43.24	223.08	1.62	-41.62
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004602620	0	29	-1.0	-44.84	273.13	6.24	-38.60
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004602620	1	29	-1.0	-44.85	273.04	6.26	-38.59
COC1=CC=C2C(=C1)C(C(=O)NC1=NN=N[N-]1)=C(C)N2C	REAL250004602621	0	34	-1.0	-55.19	293.49	5.18	-50.01
COC1=CC=C2C(=C1)C(C(=O)NC1=N[N-]N=N1)=C(C)N2C	REAL250004602621	1	34	-1.0	-55.15	293.59	5.16	-49.99
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1	REAL250004602622	0	34	-1.0	-42.40	294.46	4.79	-37.61
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1	REAL250004602622	1	34	-1.0	-42.35	294.55	4.77	-37.58
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004602623	0	23	-1.0	-44.08	242.85	5.73	-38.35
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004602623	1	23	-1.0	-44.03	242.96	5.72	-38.31
O=C(CC1=CC=C2OCCCC2=C1)NC1=N[N-]N=N1	REAL250004602625	0	31	-1.0	-46.70	265.85	5.11	-41.59
O=C(CC1=CC=C2OCCCC2=C1)NC1=NN=N[N-]1	REAL250004602625	1	31	-1.0	-46.81	265.76	5.12	-41.69
CSC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602626	0	33	-1.0	-47.22	295.26	7.08	-40.14
CSC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602626	1	33	-1.0	-47.27	295.16	7.10	-40.17
O=C(CN1N=NN=C1C1=CSC=C1)NC1=N[N-]N=N1	REAL250004602627	0	25	-1.0	-48.91	246.16	2.39	-46.52
O=C(CN1N=NN=C1C1=CSC=C1)NC1=NN=N[N-]1	REAL250004602627	1	25	-1.0	-48.96	246.07	2.40	-46.56
CC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL250004602628	0	28	-1.0	-53.25	264.77	5.71	-47.54
CC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL250004602628	1	28	-1.0	-53.17	264.87	5.71	-47.46
CCOC(=O)C1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004602629	0	38	-1.0	-47.64	308.50	6.31	-41.33
CCOC(=O)C1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004602629	1	38	-1.0	-47.75	308.41	6.32	-41.43
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCC1	REAL250004602630	0	30	-1.0	-48.15	258.76	6.14	-42.01
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250004602630	1	30	-1.0	-48.24	258.66	6.14	-42.10
CC(C)(C)OC(=O)CCCC(=O)NC1=N[N-]N=N1	REAL250004602631	0	34	-1.0	-51.43	284.01	5.10	-46.33
CC(C)(C)OC(=O)CCCC(=O)NC1=NN=N[N-]1	REAL250004602631	1	34	-1.0	-51.51	283.91	5.11	-46.40
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=NN=N[N-]1	REAL250004602632	0	27	-1.0	-48.85	251.62	6.02	-42.83
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=N[N-]N=N1	REAL250004602632	1	27	-1.0	-48.77	251.72	6.01	-42.76
CC1(C)CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2O1	REAL250004602633	0	31	-1.0	-44.80	264.82	5.04	-39.76
CC1(C)CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2O1	REAL250004602633	1	31	-1.0	-44.69	264.92	5.04	-39.65
CC(C)(C)OC(=O)COCC(=O)NC1=N[N-]N=N1	REAL250004602634	0	32	-1.0	-55.20	276.13	4.24	-50.96
CC(C)(C)OC(=O)COCC(=O)NC1=NN=N[N-]1	REAL250004602634	1	32	-1.0	-55.31	276.04	4.25	-51.06
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL250004602635	0	26	-1.0	-54.11	255.17	7.11	-47.00
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL250004602635	1	26	-1.0	-54.02	255.26	7.10	-46.92
CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)N=N1	REAL250004602636	0	31	-1.0	-51.39	275.69	5.17	-46.22
CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)N=N1	REAL250004602636	1	31	-1.0	-51.33	275.79	5.15	-46.18
CCCC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602637	0	38	-1.0	-45.90	319.43	8.28	-37.62
CCCC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602637	1	38	-1.0	-45.95	319.34	8.30	-37.65
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250004602638	0	29	-1.0	-44.36	259.16	5.65	-38.71
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250004602638	1	29	-1.0	-44.29	259.26	5.65	-38.64
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL250004602639	0	36	-1.0	-43.96	294.92	4.03	-39.93
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL250004602639	1	36	-1.0	-43.81	295.01	4.02	-39.79
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004602640	0	37	-1.0	-45.36	304.85	2.54	-42.82
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004602640	1	37	-1.0	-45.41	304.76	2.55	-42.86
O=C(NC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)C1CC1	REAL250004602641	0	31	-1.0	-57.27	262.88	4.61	-52.66
O=C(NC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)C1CC1	REAL250004602641	1	31	-1.0	-57.37	262.77	4.62	-52.75
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(O)=CC=C21	REAL250004602642	0	27	-1.0	-48.92	239.91	3.23	-45.69
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(O)=CC=C21	REAL250004602642	1	27	-1.0	-48.79	240.01	3.23	-45.56
O=C(NC1=NN=N[N-]1)C1=C(O)C2=NC=CC=C2C=C1	REAL250004602643	0	26	-1.0	-52.42	237.01	2.77	-49.65
O=C(NC1=N[N-]N=N1)C1=C(O)C2=NC=CC=C2C=C1	REAL250004602643	1	26	-1.0	-52.36	237.11	2.77	-49.59
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CNC=N2)C=C1	REAL250004602644	0	27	-1.0	-52.18	245.53	5.03	-47.15
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CNC=N2)C=C1	REAL250004602644	1	27	-1.0	-52.09	245.63	5.02	-47.07
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004602645	0	25	-1.0	-54.10	247.49	5.34	-48.76
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004602645	1	25	-1.0	-54.15	247.40	5.36	-48.79
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(O)C=C2O1	REAL250004602646	0	27	-1.0	-46.47	246.35	0.99	-45.48
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(O)C=C2O1	REAL250004602646	1	27	-1.0	-46.52	246.26	1.01	-45.51
CC(C)(C)OC(=O)C(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004602647	0	34	-1.0	-50.02	277.13	5.59	-44.43
CC(C)(C)OC(=O)C(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004602647	1	34	-1.0	-50.06	277.04	5.60	-44.46
CC(C)C(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602648	0	37	-1.0	-48.22	295.73	5.34	-42.88
CC(C)C(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602648	1	37	-1.0	-48.23	295.63	5.35	-42.88
COC(=O)C1=C(COCC(=O)NC2=NN=N[N-]2)OC=N1	REAL250004602649	0	29	-1.0	-55.15	275.07	0.13	-55.02
COC(=O)C1=C(COCC(=O)NC2=N[N-]N=N2)OC=N1	REAL250004602649	1	29	-1.0	-55.09	275.17	0.12	-54.97
CC1=C(C2=CC=CO2)N=C(CC(=O)NC2=NN=N[N-]2)S1	REAL250004602652	0	29	-1.0	-50.32	279.27	4.08	-46.24
CC1=C(C2=CC=CO2)N=C(CC(=O)NC2=N[N-]N=N2)S1	REAL250004602652	1	29	-1.0	-50.23	279.36	4.06	-46.17
O=C(CN1CC2=CC=CC=C2OC1=O)NC1=N[N-]N=N1	REAL250004602653	0	29	-1.0	-53.92	261.79	4.60	-49.32
O=C(CN1CC2=CC=CC=C2OC1=O)NC1=NN=N[N-]1	REAL250004602653	1	29	-1.0	-53.96	261.70	4.61	-49.35
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602654	0	30	-1.0	-44.19	278.64	7.14	-37.05
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602654	1	30	-1.0	-44.17	278.75	7.13	-37.04
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004602655	0	26	-1.0	-44.72	261.65	6.11	-38.61
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004602655	1	26	-1.0	-44.79	261.56	6.13	-38.66
O=C(NC1=NN=N[N-]1)C1=C2OCCOC2=CS1	REAL250004602656	0	23	-1.0	-49.20	222.29	2.25	-46.95
O=C(NC1=N[N-]N=N1)C1=C2OCCOC2=CS1	REAL250004602656	1	23	-1.0	-49.15	222.40	2.24	-46.91
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602657	0	33	-1.0	-44.12	298.95	7.85	-36.27
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602657	1	33	-1.0	-44.02	299.05	7.83	-36.19
O=C(CCCC1=C(F)C=CC=C1F)NC1=N[N-]N=N1	REAL250004602658	0	29	-1.0	-47.31	265.68	6.12	-41.19
O=C(CCCC1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL250004602658	1	29	-1.0	-47.36	265.58	6.13	-41.23
O=C(NC1=NN=N[N-]1)C1=CN=CC=C1C(F)(F)F	REAL250004602659	0	22	-1.0	-46.35	213.08	3.05	-43.30
O=C(NC1=N[N-]N=N1)C1=CN=CC=C1C(F)(F)F	REAL250004602659	1	22	-1.0	-46.25	213.17	3.05	-43.20
O=C(NC1=NN=N[N-]1)C1CCCCC1N1C=CC=N1	REAL250004602660	0	33	-1.0	-52.67	267.76	5.11	-47.56
O=C(NC1=N[N-]N=N1)C1CCCCC1N1C=CC=N1	REAL250004602660	1	33	-1.0	-52.60	267.86	5.09	-47.51
CC(C)C1CCC(C)CC1C(=O)NC1=N[N-]N=N1	REAL250004602661	0	38	-1.0	-44.08	265.39	6.27	-37.81
CC(C)C1CCC(C)CC1C(=O)NC1=NN=N[N-]1	REAL250004602661	1	38	-1.0	-44.12	265.29	6.27	-37.85
CC(C)(C)OC(=O)N(CCC(=O)NC1=N[N-]N=N1)C1CC1	REAL250004602662	0	40	-1.0	-45.77	322.21	5.15	-40.62
CC(C)(C)OC(=O)N(CCC(=O)NC1=NN=N[N-]1)C1CC1	REAL250004602662	1	40	-1.0	-45.83	322.11	5.16	-40.67
CC(C(=O)NC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004602663	0	36	-1.0	-45.16	290.48	3.79	-41.37
CC(C(=O)NC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004602663	1	36	-1.0	-45.22	290.39	3.80	-41.42
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004602664	0	30	-1.0	-44.63	269.72	6.13	-38.50
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004602664	1	30	-1.0	-44.69	269.63	6.16	-38.53
CC1=C(C(=O)NC2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL250004602665	0	28	-1.0	-46.09	250.29	5.71	-40.38
CC1=C(C(=O)NC2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL250004602665	1	28	-1.0	-45.97	250.38	5.70	-40.27
CC(C)(C)OC(=O)CCCCC(=O)NC1=N[N-]N=N1	REAL250004602666	0	37	-1.0	-45.46	305.51	5.88	-39.58
CC(C)(C)OC(=O)CCCCC(=O)NC1=NN=N[N-]1	REAL250004602666	1	37	-1.0	-45.54	305.41	5.89	-39.65
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=N[N-]N=N1	REAL250004602667	0	27	-1.0	-44.01	250.28	1.14	-42.87
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=NN=N[N-]1	REAL250004602667	1	27	-1.0	-44.07	250.18	1.16	-42.91
O=C(NC1=N[N-]N=N1)C1=NN(CCF)C(=O)C=C1	REAL250004602668	0	25	-1.0	-39.77	238.40	1.94	-37.83
O=C(NC1=NN=N[N-]1)C1=NN(CCF)C(=O)C=C1	REAL250004602668	1	25	-1.0	-39.86	238.30	1.94	-37.92
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC(C2CC2)=C1	REAL250004602669	0	26	-1.0	-39.66	249.33	4.48	-35.18
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL250004602669	1	26	-1.0	-39.71	249.24	4.48	-35.23
CS(=O)(=O)N1CCC(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004602670	0	34	-1.0	-50.38	286.38	1.20	-49.18
CS(=O)(=O)N1CCC(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004602670	1	34	-1.0	-50.40	286.29	1.21	-49.19
COC1=CC=C2CCCC(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602671	0	34	-1.0	-49.92	278.80	5.51	-44.41
COC1=CC=C2CCCC(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602671	1	34	-1.0	-49.99	278.71	5.53	-44.46
COC1=CN2N=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004602672	0	27	-1.0	-47.51	244.26	2.80	-44.71
COC1=CN2N=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004602672	1	27	-1.0	-47.42	244.36	2.79	-44.63
CC1(C)CC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2O1	REAL250004602673	0	31	-1.0	-53.58	263.81	5.90	-47.68
CC1(C)CC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2O1	REAL250004602673	1	31	-1.0	-53.48	263.91	5.90	-47.58
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NC1=N[N-]N=N1	REAL250004602674	0	27	-1.0	-45.71	261.64	4.07	-41.64
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NC1=NN=N[N-]1	REAL250004602674	1	27	-1.0	-45.82	261.54	4.08	-41.74
O=C(NC1=NN=N[N-]1)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL250004602675	0	25	-1.0	-64.98	248.78	2.44	-62.54
O=C(NC1=N[N-]N=N1)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL250004602675	1	25	-1.0	-64.90	248.88	2.43	-62.47
CN1CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004602676	0	32	-1.0	-46.80	260.82	4.26	-42.54
CN1CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004602676	1	32	-1.0	-46.73	260.91	4.24	-42.49
CN(C)C1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004602677	0	27	-1.0	-40.65	255.65	3.01	-37.64
CN(C)C1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004602677	1	27	-1.0	-40.56	255.76	3.00	-37.56
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004602678	0	33	-1.0	-44.02	288.64	5.50	-38.52
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004602678	1	33	-1.0	-44.14	288.55	5.53	-38.61
O=C(NC1=NN=N[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL250004602679	0	26	-1.0	-50.32	233.23	1.43	-48.89
O=C(NC1=N[N-]N=N1)C1=C2NC(=O)COC2=CC=C1	REAL250004602679	1	26	-1.0	-50.27	233.33	1.43	-48.84
CC(=NO)C1CC(C(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004602680	0	33	-1.0	-48.87	267.47	2.06	-46.81
CC(=NO)C1CC(C(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004602680	1	33	-1.0	-48.90	267.38	2.07	-46.83
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)SCCO1	REAL250004602681	0	30	-1.0	-45.35	270.99	5.39	-39.96
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)SCCO1	REAL250004602681	1	30	-1.0	-45.29	271.09	5.38	-39.91
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCO1	REAL250004602682	0	36	-1.0	-44.46	294.75	4.17	-40.29
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCO1	REAL250004602682	1	36	-1.0	-44.47	294.65	4.19	-40.28
O=C(CC(N1C=CN=C1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004602683	0	26	-1.0	-44.80	246.52	4.77	-40.03
O=C(CC(N1C=CN=C1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004602683	1	26	-1.0	-44.90	246.43	4.78	-40.12
O=C(NC1=NN=N[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL250004602684	0	28	-1.0	-49.06	252.14	4.68	-44.38
O=C(NC1=N[N-]N=N1)C1=CC(N2C=CN=C2)=CC=C1O	REAL250004602684	1	28	-1.0	-49.02	252.24	4.68	-44.34
O=C(NC1=NN=N[N-]1)C1=CSC(Br)=N1	REAL250004602685	0	16	-1.0	-42.92	196.37	1.39	-41.53
O=C(NC1=N[N-]N=N1)C1=CSC(Br)=N1	REAL250004602685	1	16	-1.0	-42.86	196.48	1.39	-41.47
CN1CCCC1C1=CC(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004602686	0	32	-1.0	-44.44	273.97	0.74	-43.70
CN1CCCC1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004602686	1	32	-1.0	-44.51	273.87	0.76	-43.75
CC1(C(=O)NC2=N[N-]N=N2)CC(C2=CC=CC=C2)=NO1	REAL250004602687	0	31	-1.0	-44.09	274.91	4.69	-39.40
CC1(C(=O)NC2=NN=N[N-]2)CC(C2=CC=CC=C2)=NO1	REAL250004602687	1	31	-1.0	-44.14	274.81	4.71	-39.43
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NC1=N[N-]N=N1	REAL250004602688	0	30	-1.0	-47.88	284.10	3.77	-44.11
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL250004602688	1	30	-1.0	-47.91	284.00	3.79	-44.12
CN(C)C(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004602689	0	31	-1.0	-43.45	279.84	4.03	-39.42
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602689	1	31	-1.0	-43.51	279.75	4.04	-39.47
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004602690	0	35	-1.0	-42.76	283.38	5.59	-37.17
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004602690	1	35	-1.0	-42.81	283.29	5.61	-37.20
CC1=C(C(=O)NC2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL250004602691	0	29	-1.0	-43.77	250.56	3.68	-40.09
CC1=C(C(=O)NC2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL250004602691	1	29	-1.0	-43.67	250.65	3.68	-39.99
CC(CC(=O)NC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004602692	0	35	-1.0	-49.72	278.60	5.08	-44.64
CC(CC(=O)NC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004602692	1	35	-1.0	-49.77	278.50	5.09	-44.68
CCN1C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004602693	0	30	-1.0	-46.95	267.18	3.64	-43.31
CCN1C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004602693	1	30	-1.0	-46.84	267.28	3.63	-43.21
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL250004602694	0	31	-1.0	-43.21	270.05	3.95	-39.26
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL250004602694	1	31	-1.0	-43.15	270.14	3.94	-39.21
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=N[N-]N=N1	REAL250004602695	0	29	-1.0	-44.59	273.15	4.39	-40.20
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=NN=N[N-]1	REAL250004602695	1	29	-1.0	-44.68	273.06	4.40	-40.28
O=C(NC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004602696	0	30	-1.0	-43.10	256.67	5.50	-37.60
O=C(NC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004602696	1	30	-1.0	-43.16	256.57	5.51	-37.65
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1F	REAL250004602697	0	23	-1.0	-47.42	226.10	4.81	-42.61
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1F	REAL250004602697	1	23	-1.0	-47.35	226.20	4.79	-42.56
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=N[N-]N=N1	REAL250004602698	0	28	-1.0	-46.18	263.32	5.02	-41.16
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=NN=N[N-]1	REAL250004602698	1	28	-1.0	-46.25	263.23	5.02	-41.23
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL250004602699	0	24	-1.0	-41.56	245.31	3.63	-37.93
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)O1	REAL250004602699	1	24	-1.0	-41.45	245.42	3.62	-37.83
NC1=C(Cl)C(F)=CC(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004602700	0	22	-1.0	-39.92	232.81	2.91	-37.01
NC1=C(Cl)C(F)=CC(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004602700	1	22	-1.0	-39.85	232.91	2.89	-36.96
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602701	0	31	-1.0	-50.13	285.70	0.30	-49.83
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602701	1	31	-1.0	-50.16	285.61	0.31	-49.85
O=C(NC1=NN=N[N-]1)C1=CSC(N2CCCCC2)=N1	REAL250004602702	0	31	-1.0	-44.16	272.61	3.29	-40.87
O=C(NC1=N[N-]N=N1)C1=CSC(N2CCCCC2)=N1	REAL250004602702	1	31	-1.0	-44.14	272.71	3.28	-40.86
O=C(NC1=NN=N[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL250004602703	0	27	-1.0	-43.51	257.06	1.98	-41.53
O=C(NC1=N[N-]N=N1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL250004602703	1	27	-1.0	-43.44	257.16	1.96	-41.48
CCC(CC)(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602704	0	40	-1.0	-51.84	312.43	6.73	-45.11
CCC(CC)(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602704	1	40	-1.0	-51.93	312.34	6.74	-45.19
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602705	0	38	-1.0	-45.94	306.51	4.76	-41.18
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602705	1	38	-1.0	-45.98	306.41	4.76	-41.22
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL250004602706	0	28	-1.0	-44.91	256.65	4.16	-40.75
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL250004602706	1	28	-1.0	-44.87	256.75	4.16	-40.71
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CC=CCC1	REAL250004602707	0	39	-1.0	-42.75	309.79	6.37	-36.38
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CC=CCC1	REAL250004602707	1	39	-1.0	-42.79	309.69	6.39	-36.40
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004602708	0	25	-1.0	-44.64	240.12	5.70	-38.94
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004602708	1	25	-1.0	-44.56	240.22	5.71	-38.85
CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CO1	REAL250004602709	0	23	-1.0	-53.31	234.06	-0.60	-53.91
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CO1	REAL250004602709	1	23	-1.0	-53.22	234.16	-0.62	-53.84
O=C(NC1=N[N-]N=N1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL250004602710	0	31	-1.0	-45.70	270.61	6.62	-39.08
O=C(NC1=NN=N[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL250004602710	1	31	-1.0	-45.77	270.51	6.63	-39.14
O=C(NC1=NN=N[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL250004602711	0	23	-1.0	-48.76	232.82	4.66	-44.10
O=C(NC1=N[N-]N=N1)C1=COC2=CC=C(Cl)C=C12	REAL250004602711	1	23	-1.0	-48.66	232.92	4.65	-44.01
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)C=N1	REAL250004602712	0	27	-1.0	-48.37	247.25	6.08	-42.29
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)C=N1	REAL250004602712	1	27	-1.0	-48.29	247.35	6.06	-42.23
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NCC1=CC=CO1	REAL250004602713	0	32	-1.0	-47.85	279.26	4.92	-42.93
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NCC1=CC=CO1	REAL250004602713	1	32	-1.0	-47.75	279.36	4.92	-42.83
CNC1=CC(Cl)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602714	0	25	-1.0	-40.96	233.82	3.48	-37.48
CNC1=CC(Cl)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602714	1	25	-1.0	-40.89	233.92	3.48	-37.41
O=C(NC1=NN=N[N-]1)C1=CC=NC(NC2CCC2)=C1	REAL250004602715	0	31	-1.0	-43.62	265.25	3.88	-39.74
O=C(NC1=N[N-]N=N1)C1=CC=NC(NC2CCC2)=C1	REAL250004602715	1	31	-1.0	-43.55	265.35	3.87	-39.68
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602716	0	34	-1.0	-41.96	293.01	4.69	-37.27
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602716	1	34	-1.0	-41.92	293.11	4.67	-37.25
CC(C)(O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602717	0	36	-1.0	-45.36	273.29	2.47	-42.89
CC(C)(O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602717	1	36	-1.0	-45.41	273.18	2.49	-42.92
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004602718	0	25	-1.0	-50.81	239.14	4.89	-45.92
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004602718	1	25	-1.0	-50.86	239.04	4.90	-45.96
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004602719	0	39	-1.0	-42.82	311.85	2.77	-40.05
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004602719	1	39	-1.0	-42.83	311.75	2.80	-40.03
CC(COCC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602720	0	33	-1.0	-46.99	284.94	6.12	-40.87
CC(COCC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602720	1	33	-1.0	-47.08	284.84	6.13	-40.95
O=C(COCCC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004602721	0	30	-1.0	-47.46	274.53	5.67	-41.79
O=C(COCCC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004602721	1	30	-1.0	-47.50	274.44	5.68	-41.82
CNC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004602722	0	29	-1.0	-50.12	271.05	1.83	-48.29
CNC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004602722	1	29	-1.0	-50.03	271.15	1.83	-48.20
O=C(CN1N=C2CCCCN2C1=O)NC1=N[N-]N=N1	REAL250004602723	0	30	-1.0	-56.22	262.65	3.85	-52.37
O=C(CN1N=C2CCCCN2C1=O)NC1=NN=N[N-]1	REAL250004602723	1	30	-1.0	-56.29	262.55	3.86	-52.43
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=CC=NC=C21	REAL250004602724	0	25	-1.0	-45.36	230.34	4.31	-41.05
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=CC=NC=C21	REAL250004602724	1	25	-1.0	-45.31	230.44	4.31	-41.00
O=C(NC1=NN=N[N-]1)C1=CC2=C(S1)C(=O)NC=C2	REAL250004602725	0	23	-1.0	-49.35	231.77	2.16	-47.19
O=C(NC1=N[N-]N=N1)C1=CC2=C(S1)C(=O)NC=C2	REAL250004602725	1	23	-1.0	-49.26	231.87	2.15	-47.11
CC1=NN=NN1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602726	0	28	-1.0	-48.22	254.70	3.84	-44.38
CC1=NN=NN1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602726	1	28	-1.0	-48.16	254.80	3.83	-44.33
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004602727	0	36	-1.0	-48.56	307.53	5.68	-42.88
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004602727	1	36	-1.0	-48.66	307.43	5.70	-42.96
O=C(CCCC1=CC=C2CCCCC2=C1)NC1=N[N-]N=N1	REAL250004602728	0	39	-1.0	-46.49	317.74	8.56	-37.93
O=C(CCCC1=CC=C2CCCCC2=C1)NC1=NN=N[N-]1	REAL250004602728	1	39	-1.0	-46.57	317.65	8.57	-38.00
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OCCCO2	REAL250004602729	0	29	-1.0	-50.56	248.14	4.75	-45.81
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1OCCCO2	REAL250004602729	1	29	-1.0	-50.47	248.24	4.75	-45.72
O=C(NC1=NN=N[N-]1)C1(N2C=NN=N2)CCCCC1	REAL250004602730	0	31	-1.0	-40.87	255.47	3.73	-37.14
O=C(NC1=N[N-]N=N1)C1(N2C=NN=N2)CCCCC1	REAL250004602730	1	31	-1.0	-40.77	255.55	3.73	-37.04
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004602731	0	30	-1.0	-46.39	265.67	6.41	-39.98
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004602731	1	30	-1.0	-46.40	265.56	6.42	-39.98
O=C(NC1=NN=N[N-]1)C1=NSC=C1Br	REAL250004602732	0	16	-1.0	-44.72	191.31	1.91	-42.81
O=C(NC1=N[N-]N=N1)C1=NSC=C1Br	REAL250004602732	1	16	-1.0	-44.66	191.41	1.91	-42.75
O=C(NC1=NN=N[N-]1)C(CC1CCCO1)C(F)(F)F	REAL250004602733	0	30	-1.0	-41.17	260.57	3.62	-37.55
O=C(NC1=N[N-]N=N1)C(CC1CCCO1)C(F)(F)F	REAL250004602733	1	30	-1.0	-41.09	260.66	3.61	-37.48
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004602734	0	41	-1.0	-44.11	312.69	6.62	-37.49
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004602734	1	41	-1.0	-44.17	312.60	6.63	-37.54
CCCOC1=CC=NC(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004602735	0	31	-1.0	-48.35	277.80	1.70	-46.65
CCCOC1=CC=NC(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004602735	1	31	-1.0	-48.43	277.70	1.72	-46.71
O=C(N[C@@H](CO)C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004602736	0	31	-1.0	-44.10	283.36	-0.10	-44.20
O=C(N[C@@H](CO)C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004602736	1	31	-1.0	-44.13	283.26	-0.09	-44.22
O=C(N[C@@H](CO)C(=O)NC1=NN=N[N-]1)C1=CC=CC(F)=N1	REAL250004602737	0	30	-1.0	-51.20	280.50	-1.92	-53.12
O=C(N[C@@H](CO)C(=O)NC1=N[N-]N=N1)C1=CC=CC(F)=N1	REAL250004602737	1	30	-1.0	-51.18	280.59	-1.93	-53.11
O=C(NC1=NN=N[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004602738	0	23	-1.0	-49.57	232.37	5.60	-43.97
O=C(NC1=N[N-]N=N1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004602738	1	23	-1.0	-49.51	232.47	5.59	-43.92
O=C(CC1(CN2C=NN=N2)CCCCC1)NC1=NN=N[N-]1	REAL250004602739	0	37	-1.0	-43.62	284.32	5.39	-38.23
O=C(CC1(CN2C=NN=N2)CCCCC1)NC1=N[N-]N=N1	REAL250004602739	1	37	-1.0	-43.51	284.41	5.38	-38.13
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004602740	0	26	-1.0	-43.68	244.79	5.54	-38.14
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602740	1	26	-1.0	-43.74	244.70	5.56	-38.18
O=C(CC1C2CC3CC(C2)CC1C3)NC1=N[N-]N=N1	REAL250004602741	0	37	-1.0	-44.71	265.92	6.23	-38.48
O=C(CC1C2CC3CC(C2)CC1C3)NC1=NN=N[N-]1	REAL250004602741	1	37	-1.0	-44.85	265.83	6.24	-38.61
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004602742	0	34	-1.0	-49.77	288.95	1.99	-47.78
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004602742	1	34	-1.0	-49.85	288.86	2.01	-47.84
CC1=CC=CC(C2=CC=C(C(=O)NC3=NN=N[N-]3)N2C)=C1	REAL250004602743	0	34	-1.0	-44.76	286.55	7.10	-37.66
CC1=CC=CC(C2=CC=C(C(=O)NC3=N[N-]N=N3)N2C)=C1	REAL250004602743	1	34	-1.0	-44.68	286.66	7.09	-37.59
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004602744	0	30	-1.0	-44.70	260.60	2.90	-41.80
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004602744	1	30	-1.0	-44.77	260.50	2.92	-41.85
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004602745	0	28	-1.0	-48.40	250.66	3.97	-44.43
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004602745	1	28	-1.0	-48.36	250.76	3.93	-44.43
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004602746	0	28	-1.0	-54.77	250.49	3.96	-50.81
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004602746	1	28	-1.0	-54.74	250.59	3.96	-50.78
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NC1=N[N-]N=N1	REAL250004602747	0	26	-1.0	-46.37	251.75	3.58	-42.79
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NC1=NN=N[N-]1	REAL250004602747	1	26	-1.0	-46.48	251.66	3.59	-42.89
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004602748	0	38	-1.0	-50.91	304.67	6.05	-44.86
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004602748	1	38	-1.0	-50.96	304.58	6.08	-44.88
O=C(CC12CCCCC1C2(F)F)NC1=N[N-]N=N1	REAL250004602749	0	30	-1.0	-40.44	248.86	5.23	-35.21
O=C(CC12CCCCC1C2(F)F)NC1=NN=N[N-]1	REAL250004602749	1	30	-1.0	-40.47	248.77	5.24	-35.23
CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004602750	0	26	-1.0	-42.00	241.61	5.64	-36.36
CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004602750	1	26	-1.0	-41.93	241.71	5.63	-36.30
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602751	0	34	-1.0	-47.35	289.97	5.91	-41.44
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602751	1	34	-1.0	-47.44	289.88	5.92	-41.52
O=C(NC1=NN=N[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004602752	0	23	-1.0	-51.46	224.92	4.05	-47.41
O=C(NC1=N[N-]N=N1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004602752	1	23	-1.0	-51.37	225.02	4.04	-47.33
CC(=O)NC(CCC(C)C)C(=O)NC1=N[N-]N=N1	REAL250004602753	0	35	-1.0	-53.80	285.44	3.97	-49.83
CC(=O)NC(CCC(C)C)C(=O)NC1=NN=N[N-]1	REAL250004602753	1	35	-1.0	-53.91	285.35	3.98	-49.93
O=C(NC1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004602754	0	22	-1.0	-44.79	238.27	3.75	-41.04
O=C(NC1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004602754	1	22	-1.0	-44.74	238.37	3.74	-41.00
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250004602755	0	25	-1.0	-45.05	229.61	4.30	-40.75
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL250004602755	1	25	-1.0	-44.99	229.71	4.30	-40.69
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL250004602756	0	23	-1.0	-42.14	251.53	4.99	-37.15
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL250004602756	1	23	-1.0	-42.06	251.63	4.98	-37.08
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004602757	0	26	-1.0	-47.14	244.75	3.54	-43.60
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004602757	1	26	-1.0	-47.11	244.83	3.52	-43.59
O=C(NC1=NN=N[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004602758	0	22	-1.0	-45.08	231.72	3.69	-41.39
O=C(NC1=N[N-]N=N1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004602758	1	22	-1.0	-44.99	231.82	3.69	-41.30
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL250004602759	0	26	-1.0	-41.74	238.56	3.50	-38.24
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1	REAL250004602759	1	26	-1.0	-41.70	238.66	3.49	-38.21
O=C(NC1=N[N-]N=N1)C1COCC1C1=CC=CC=C1	REAL250004602760	0	31	-1.0	-46.71	263.15	4.29	-42.42
O=C(NC1=NN=N[N-]1)C1COCC1C1=CC=CC=C1	REAL250004602760	1	31	-1.0	-46.78	263.06	4.30	-42.48
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004602761	0	36	-1.0	-42.85	292.77	6.02	-36.83
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004602761	1	36	-1.0	-42.93	292.67	6.03	-36.90
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C(C)(C)C	REAL250004602762	0	40	-1.0	-49.93	309.81	6.61	-43.32
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C(C)(C)C	REAL250004602762	1	40	-1.0	-49.97	309.74	6.63	-43.34
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C1CC1	REAL250004602763	0	35	-1.0	-49.31	287.31	6.52	-42.79
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C1CC1	REAL250004602763	1	35	-1.0	-49.39	287.21	6.53	-42.86
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602764	0	41	-1.0	-53.67	316.36	6.56	-47.11
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602764	1	41	-1.0	-53.75	316.25	6.58	-47.17
COC1(C(=O)NC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004602765	0	30	-1.0	-39.53	244.17	2.91	-36.62
COC1(C(=O)NC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004602765	1	30	-1.0	-39.59	244.08	2.93	-36.66
CN1C=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004602766	0	31	-1.0	-51.17	267.42	6.69	-44.48
CN1C=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004602766	1	31	-1.0	-51.07	267.51	6.68	-44.39
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004602767	0	30	-1.0	-47.09	259.09	2.01	-45.08
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004602767	1	30	-1.0	-47.16	259.01	2.02	-45.14
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1CCOCC1	REAL250004602768	0	38	-1.0	-47.50	297.02	4.98	-42.52
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1CCOCC1	REAL250004602768	1	38	-1.0	-47.42	297.12	4.97	-42.45
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004602769	0	26	-1.0	-38.75	252.47	4.87	-33.88
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL250004602769	1	26	-1.0	-38.67	252.57	4.86	-33.81
CC1(C)CC(C(=O)NC2=N[N-]N=N2)CC(C)(C)C1	REAL250004602770	0	38	-1.0	-43.07	284.31	5.94	-37.13
CC1(C)CC(C(=O)NC2=NN=N[N-]2)CC(C)(C)C1	REAL250004602770	1	38	-1.0	-43.13	284.22	5.95	-37.18
C[C@@H](C(=O)NC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004602771	0	36	-1.0	-44.72	291.69	3.85	-40.87
C[C@@H](C(=O)NC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004602771	1	36	-1.0	-44.81	291.59	3.87	-40.94
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)O1	REAL250004602772	0	26	-1.0	-42.21	245.40	3.38	-38.83
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)O1	REAL250004602772	1	26	-1.0	-42.13	245.49	3.35	-38.78
O=C(NC1=NN=N[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL250004602773	0	27	-1.0	-57.37	245.05	0.20	-57.17
O=C(NC1=N[N-]N=N1)C1=C2N=C(CO)NC2=CC=C1	REAL250004602773	1	27	-1.0	-57.28	245.15	0.20	-57.08
O=C(CC1=CN=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004602774	0	28	-1.0	-48.45	249.95	4.84	-43.61
O=C(CC1=CN=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004602774	1	28	-1.0	-48.39	250.05	4.82	-43.57
CC(=CC(=O)NC1=N[N-]N=N1)CN1CCOCC1	REAL250004602775	0	33	-1.0	-44.30	269.75	1.21	-43.09
CC(=CC(=O)NC1=NN=N[N-]1)CN1CCOCC1	REAL250004602775	1	33	-1.0	-44.39	269.65	1.22	-43.17
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004602776	0	23	-1.0	-51.44	226.30	3.48	-47.96
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL250004602776	1	23	-1.0	-51.34	226.40	3.48	-47.86
O=C(NC1=NN=N[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL250004602777	0	24	-1.0	-42.63	243.77	5.28	-37.35
O=C(NC1=N[N-]N=N1)C1=CC=CC(SC(F)(F)F)=C1	REAL250004602777	1	24	-1.0	-42.52	243.87	5.26	-37.26
COC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004602778	0	27	-1.0	-43.29	249.00	3.96	-39.33
COC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004602778	1	27	-1.0	-43.35	248.91	3.98	-39.37
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC2=CC=NC=C21	REAL250004602779	0	25	-1.0	-52.55	237.66	4.09	-48.46
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC2=CC=NC=C21	REAL250004602779	1	25	-1.0	-52.51	237.76	4.08	-48.43
NC(=O)N=NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602780	0	26	-1.0	-47.27	248.53	-1.02	-48.29
NC(=O)N=NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602780	1	26	-1.0	-47.14	248.63	-1.03	-48.17
O=C(NC1=NN=N[N-]1)C1=CNC(=S)N1C1CC1	REAL250004602781	0	25	-1.0	-47.05	231.77	3.99	-43.06
O=C(NC1=N[N-]N=N1)C1=CNC(=S)N1C1CC1	REAL250004602781	1	25	-1.0	-46.95	231.88	3.98	-42.97
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=N[N-]N=N1	REAL250004602782	0	30	-1.0	-47.03	274.47	3.28	-43.75
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=NN=N[N-]1	REAL250004602782	1	30	-1.0	-47.13	274.37	3.29	-43.84
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250004602783	0	25	-1.0	-45.65	242.58	0.48	-45.17
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL250004602783	1	25	-1.0	-45.56	242.69	0.47	-45.09
COCCCN1N=C(C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004602784	0	32	-1.0	-42.02	286.98	1.63	-40.39
COCCCN1N=C(C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004602784	1	32	-1.0	-42.10	286.89	1.63	-40.47
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004602785	0	37	-1.0	-41.43	273.24	4.76	-36.67
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL250004602785	1	37	-1.0	-41.50	273.15	4.78	-36.72
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004602786	0	34	-1.0	-45.54	291.88	5.31	-40.23
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004602786	1	34	-1.0	-45.52	291.98	5.30	-40.22
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL250004602787	0	27	-1.0	-42.02	254.29	4.19	-37.83
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL250004602787	1	27	-1.0	-41.89	254.39	4.17	-37.72
CC(C)(C)N1N=NC(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004602788	0	30	-1.0	-51.15	265.51	2.04	-49.11
CC(C)(C)N1N=NC(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004602788	1	30	-1.0	-51.21	265.41	2.06	-49.15
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004602789	0	28	-1.0	-41.83	255.78	3.97	-37.86
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004602789	1	28	-1.0	-41.73	255.88	3.97	-37.76
O=C(NC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004602790	0	23	-1.0	-42.22	243.20	5.73	-36.49
O=C(NC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004602790	1	23	-1.0	-42.16	243.30	5.71	-36.45
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602791	0	31	-1.0	-45.96	269.55	5.12	-40.84
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602791	1	31	-1.0	-46.00	269.46	5.13	-40.87
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004602792	0	29	-1.0	-46.82	266.64	5.46	-41.36
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004602792	1	29	-1.0	-46.71	266.74	5.44	-41.27
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=N[N-]N=N1	REAL250004602793	0	39	-1.0	-44.75	314.00	8.28	-36.47
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=NN=N[N-]1	REAL250004602793	1	39	-1.0	-44.85	313.91	8.30	-36.55
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCCCC1	REAL250004602794	0	29	-1.0	-41.92	239.08	4.80	-37.12
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCCCC1	REAL250004602794	1	29	-1.0	-41.94	238.98	4.81	-37.13
CN(C)C(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602795	0	36	-1.0	-47.94	283.84	3.86	-44.08
CN(C)C(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602795	1	36	-1.0	-47.97	283.73	3.88	-44.09
CC1=C(Br)C=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004602796	0	22	-1.0	-39.85	216.90	3.22	-36.63
CC1=C(Br)C=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004602796	1	22	-1.0	-39.95	216.81	3.22	-36.73
COC1=CC=C(OC(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602797	0	34	-1.0	-45.99	277.29	4.43	-41.56
COC1=CC=C(OC(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602797	1	34	-1.0	-46.03	277.20	4.45	-41.58
CC(C)CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004602798	0	35	-1.0	-42.63	303.08	7.46	-35.17
CC(C)CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602798	1	35	-1.0	-42.71	302.99	7.48	-35.23
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004602799	0	33	-1.0	-46.64	281.97	4.08	-42.56
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004602799	1	33	-1.0	-46.55	282.07	4.06	-42.49
COC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004602800	0	27	-1.0	-47.91	255.18	4.24	-43.67
COC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004602800	1	27	-1.0	-47.96	255.08	4.26	-43.70
CCC(C(=O)NC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004602801	0	39	-1.0	-44.16	311.95	5.00	-39.16
CCC(C(=O)NC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004602801	1	39	-1.0	-44.25	311.86	5.02	-39.23
O=C(CCC1CC1(Cl)Cl)NC1=N[N-]N=N1	REAL250004602802	0	23	-1.0	-44.71	236.69	4.83	-39.88
O=C(CCC1CC1(Cl)Cl)NC1=NN=N[N-]1	REAL250004602802	1	23	-1.0	-44.78	236.59	4.84	-39.94
O=C(NC1=NN=N[N-]1)C(CC1COCCO1)C(F)(F)F	REAL250004602803	0	31	-1.0	-40.61	267.26	2.51	-38.10
O=C(NC1=N[N-]N=N1)C(CC1COCCO1)C(F)(F)F	REAL250004602803	1	31	-1.0	-40.59	267.35	2.48	-38.11
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004602804	0	33	-1.0	-45.78	282.23	2.79	-42.99
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004602804	1	33	-1.0	-45.91	282.14	2.81	-43.10
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=N[N-]N=N2)C1	REAL250004602805	0	40	-1.0	-53.01	321.95	4.56	-48.45
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=NN=N[N-]2)C1	REAL250004602805	1	40	-1.0	-53.10	321.86	4.57	-48.53
O=C(NC1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004602806	0	26	-1.0	-55.96	244.28	3.81	-52.15
O=C(NC1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004602806	1	26	-1.0	-55.90	244.38	3.78	-52.12
O=C(NC1=NN=N[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250004602807	0	29	-1.0	-44.54	243.13	1.26	-43.28
O=C(NC1=N[N-]N=N1)C1(N2C=NN=N2)CCOCC1	REAL250004602807	1	29	-1.0	-44.49	243.22	1.25	-43.24
CC(C)N(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602808	0	39	-1.0	-49.37	309.59	4.84	-44.53
CC(C)N(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602808	1	39	-1.0	-49.46	309.50	4.85	-44.61
CC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004602809	0	35	-1.0	-45.75	295.70	6.34	-39.41
CC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004602809	1	35	-1.0	-45.81	295.60	6.35	-39.46
NC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004602811	0	32	-1.0	-45.60	282.51	4.46	-41.14
NC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004602811	1	32	-1.0	-45.52	282.62	4.45	-41.07
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=N1	REAL250004602812	0	33	-1.0	-52.01	290.98	6.96	-45.05
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=N1	REAL250004602812	1	33	-1.0	-51.91	291.07	6.94	-44.97
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004602813	0	26	-1.0	-45.10	245.57	6.58	-38.52
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004602813	1	26	-1.0	-45.04	245.66	6.58	-38.46
O=C(NC1=NN=N[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL250004602814	0	26	-1.0	-57.49	254.40	5.97	-51.52
O=C(NC1=N[N-]N=N1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL250004602814	1	26	-1.0	-57.39	254.50	5.95	-51.44
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL250004602815	0	34	-1.0	-49.91	296.21	5.46	-44.45
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL250004602815	1	34	-1.0	-49.83	296.31	5.44	-44.39
O=C(NC1=NN=N[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL250004602817	0	34	-1.0	-49.18	298.75	4.58	-44.60
O=C(NC1=N[N-]N=N1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL250004602817	1	34	-1.0	-49.11	298.85	4.56	-44.55
NC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Br)=N1	REAL250004602818	0	21	-1.0	-40.79	219.22	1.30	-39.49
NC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Br)=N1	REAL250004602818	1	21	-1.0	-40.74	219.32	1.28	-39.46
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004602819	0	28	-1.0	-50.03	251.83	2.26	-47.77
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004602819	1	28	-1.0	-50.13	251.74	2.27	-47.86
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004602820	0	31	-1.0	-48.79	267.59	0.46	-48.33
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004602820	1	31	-1.0	-48.86	267.50	0.48	-48.38
COC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004602821	0	31	-1.0	-50.69	280.66	3.97	-46.72
COC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004602821	1	31	-1.0	-50.74	280.56	3.98	-46.76
CC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Br	REAL250004602822	0	26	-1.0	-44.93	248.56	5.55	-39.38
CC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Br	REAL250004602822	1	26	-1.0	-45.01	248.47	5.57	-39.44
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004602823	0	29	-1.0	-55.05	265.03	4.24	-50.81
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004602823	1	29	-1.0	-54.96	265.13	4.22	-50.74
CC1=CC(CC(=O)NC2=N[N-]N=N2)=NC=C1Cl	REAL250004602824	0	25	-1.0	-49.08	241.38	3.97	-45.11
CC1=CC(CC(=O)NC2=NN=N[N-]2)=NC=C1Cl	REAL250004602824	1	25	-1.0	-49.16	241.28	3.98	-45.18
NC1=C(Cl)C=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004602825	0	22	-1.0	-42.07	231.05	2.86	-39.21
NC1=C(Cl)C=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004602825	1	22	-1.0	-42.00	231.15	2.85	-39.15
CCC1(C(=O)NC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004602826	0	32	-1.0	-44.17	253.37	5.00	-39.17
CCC1(C(=O)NC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004602826	1	32	-1.0	-44.31	253.42	5.00	-39.31
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL250004602827	0	23	-1.0	-41.43	233.59	2.46	-38.97
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL250004602827	1	23	-1.0	-41.40	233.69	2.45	-38.95
O=C(NC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004602828	0	32	-1.0	-49.44	260.16	5.04	-44.40
O=C(NC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004602828	1	32	-1.0	-49.52	260.06	5.04	-44.48
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCOCC1	REAL250004602829	0	27	-1.0	-40.33	230.70	2.45	-37.88
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCOCC1	REAL250004602829	1	27	-1.0	-40.41	230.61	2.46	-37.95
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL250004602830	0	23	-1.0	-43.03	238.65	5.33	-37.70
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL250004602830	1	23	-1.0	-42.93	238.74	5.31	-37.62
CSCC[C@H](NC(N)=O)C(=O)NC1=N[N-]N=N1	REAL250004602831	0	29	-1.0	-57.14	262.51	0.16	-56.98
CSCC[C@H](NC(N)=O)C(=O)NC1=NN=N[N-]1	REAL250004602831	1	29	-1.0	-57.22	262.42	0.17	-57.05
O=C(NC1=N[N-]N=N1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL250004602832	0	33	-1.0	-45.53	279.68	7.06	-38.47
O=C(NC1=NN=N[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL250004602832	1	33	-1.0	-45.62	279.60	7.08	-38.54
CCN1C(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004602833	0	30	-1.0	-47.79	267.14	3.63	-44.16
CCN1C(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004602833	1	30	-1.0	-47.72	267.24	3.61	-44.11
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL250004602834	0	31	-1.0	-46.89	272.17	4.28	-42.61
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL250004602834	1	31	-1.0	-46.81	272.27	4.27	-42.54
COC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004602835	0	31	-1.0	-48.59	261.18	2.69	-45.90
COC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004602835	1	31	-1.0	-48.66	261.09	2.71	-45.95
O=C(CCC1=CC=CN=C1Cl)NC1=NN=N[N-]1	REAL250004602836	0	25	-1.0	-46.05	241.12	3.82	-42.23
O=C(CCC1=CC=CN=C1Cl)NC1=N[N-]N=N1	REAL250004602836	1	25	-1.0	-46.00	241.21	3.81	-42.19
COC(C)(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602837	0	35	-1.0	-45.81	285.91	4.53	-41.28
COC(C)(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602837	1	35	-1.0	-45.85	285.82	4.55	-41.30
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CC1(C)C	REAL250004602838	0	38	-1.0	-42.36	298.56	6.28	-36.08
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CC1(C)C	REAL250004602838	1	38	-1.0	-42.40	298.47	6.29	-36.11
CC(C)(C)OC(=O)C(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL250004602839	0	41	-1.0	-49.10	314.65	7.98	-41.12
CC(C)(C)OC(=O)C(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL250004602839	1	41	-1.0	-49.22	314.56	8.00	-41.22
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)O1	REAL250004602840	0	27	-1.0	-52.30	267.94	0.80	-51.50
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)O1	REAL250004602840	1	27	-1.0	-52.42	267.83	0.80	-51.62
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CNC1=O	REAL250004602841	0	20	-1.0	-54.58	210.99	1.64	-52.94
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CNC1=O	REAL250004602841	1	20	-1.0	-54.67	210.89	1.64	-53.03
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004602842	0	29	-1.0	-45.36	264.94	6.46	-38.90
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004602842	1	29	-1.0	-45.29	265.05	6.45	-38.84
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004602843	0	26	-1.0	-53.35	252.46	0.12	-53.23
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004602843	1	26	-1.0	-53.26	252.57	0.10	-53.16
O=C(NC1=NN=N[N-]1)C1=CC2=CSC=C2S1	REAL250004602844	0	20	-1.0	-45.02	217.56	4.17	-40.85
O=C(NC1=N[N-]N=N1)C1=CC2=CSC=C2S1	REAL250004602844	1	20	-1.0	-44.96	217.66	4.16	-40.80
O=C(NC1=N[N-]N=N1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004602845	0	28	-1.0	-47.69	254.92	6.75	-40.94
O=C(NC1=NN=N[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004602845	1	28	-1.0	-47.73	254.83	6.76	-40.97
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL250004602846	0	27	-1.0	-49.09	269.48	6.69	-42.40
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL250004602846	1	27	-1.0	-49.14	269.39	6.71	-42.43
CC1=CC=C2OC=C(CC(=O)NC3=NN=N[N-]3)C2=C1	REAL250004602847	0	29	-1.0	-48.93	261.37	5.52	-43.41
CC1=CC=C2OC=C(CC(=O)NC3=N[N-]N=N3)C2=C1	REAL250004602847	1	29	-1.0	-48.89	261.46	5.50	-43.39
COC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004602848	0	27	-1.0	-45.66	250.37	4.66	-41.00
COC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004602848	1	27	-1.0	-45.74	250.28	4.67	-41.07
CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004602849	0	32	-1.0	-42.14	285.88	6.97	-35.17
CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004602849	1	32	-1.0	-42.19	285.79	6.99	-35.20
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL250004602850	0	34	-1.0	-53.23	295.34	6.21	-47.02
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL250004602850	1	34	-1.0	-53.16	295.46	6.20	-46.96
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=N[N-]N=N1	REAL250004602851	0	30	-1.0	-47.87	268.11	6.85	-41.02
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=NN=N[N-]1	REAL250004602851	1	30	-1.0	-47.94	268.02	6.87	-41.07
COC1=CC=C([C@]2(C(=O)NC3=N[N-]N=N3)C[C@H](O)C2)C=C1	REAL250004602852	0	35	-1.0	-45.78	296.04	1.97	-43.81
COC1=CC=C([C@]2(C(=O)NC3=NN=N[N-]3)C[C@H](O)C2)C=C1	REAL250004602852	1	35	-1.0	-45.82	295.93	1.98	-43.84
O=C(CN1CSCCSC1)NC1=N[N-]N=N1	REAL250004602853	0	27	-1.0	-45.42	246.76	2.29	-43.13
O=C(CN1CSCCSC1)NC1=NN=N[N-]1	REAL250004602853	1	27	-1.0	-45.45	246.67	2.30	-43.15
O=C(CCC(=O)C1=C(F)C=CC=C1F)NC1=N[N-]N=N1	REAL250004602854	0	28	-1.0	-47.56	261.03	5.15	-42.41
O=C(CCC(=O)C1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL250004602854	1	28	-1.0	-47.62	260.94	5.16	-42.46
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2CCCCC21	REAL250004602855	0	34	-1.0	-46.79	270.50	2.32	-44.47
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2CCCCC21	REAL250004602855	1	34	-1.0	-46.85	270.41	2.35	-44.50
O=C(CC1=CC=C(Br)C(O)=C1)NC1=N[N-]N=N1	REAL250004602858	0	24	-1.0	-46.63	243.59	2.29	-44.34
O=C(CC1=CC=C(Br)C(O)=C1)NC1=NN=N[N-]1	REAL250004602858	1	24	-1.0	-46.71	243.49	2.31	-44.40
CC(C)(C)OC(=O)NCC(O)CC(=O)NC1=N[N-]N=N1	REAL250004602859	0	37	-1.0	-49.45	309.98	-0.41	-49.86
CC(C)(C)OC(=O)NCC(O)CC(=O)NC1=NN=N[N-]1	REAL250004602859	1	37	-1.0	-49.52	309.88	-0.40	-49.92
COC1=CC=C(CN2CCC2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602861	0	36	-1.0	-50.03	305.86	2.57	-47.46
COC1=CC=C(CN2CCC2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602861	1	36	-1.0	-50.08	305.76	2.58	-47.50
O=C(NC1=NN=N[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL250004602862	0	31	-1.0	-41.94	266.83	1.87	-40.07
O=C(NC1=N[N-]N=N1)C1=CC(N2CCOCC2)=NC=N1	REAL250004602862	1	31	-1.0	-41.90	266.93	1.86	-40.04
O=C(NC1=NN=N[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL250004602863	0	28	-1.0	-49.80	252.26	1.78	-48.02
O=C(NC1=N[N-]N=N1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL250004602863	1	28	-1.0	-49.73	252.36	1.78	-47.95
CN(CCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004602864	0	34	-1.0	-44.56	285.01	4.39	-40.17
CN(CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004602864	1	34	-1.0	-44.62	284.92	4.40	-40.22
CC(C(=O)NC1=N[N-]N=N1)N1CSCCSC1	REAL250004602866	0	30	-1.0	-44.82	256.55	2.45	-42.37
CC(C(=O)NC1=NN=N[N-]1)N1CSCCSC1	REAL250004602866	1	30	-1.0	-44.88	256.46	2.46	-42.42
O=C(CCN1CSCCSC1)NC1=N[N-]N=N1	REAL250004602867	0	30	-1.0	-44.44	266.10	2.57	-41.87
O=C(CCN1CSCCSC1)NC1=NN=N[N-]1	REAL250004602867	1	30	-1.0	-44.53	266.01	2.58	-41.95
NC(=O)C1=CN(CCC(=O)NC2=N[N-]N=N2)C(=O)NC1=O	REAL250004602868	0	30	-1.0	-47.67	274.61	-2.14	-49.81
NC(=O)C1=CN(CCC(=O)NC2=NN=N[N-]2)C(=O)NC1=O	REAL250004602868	1	30	-1.0	-47.76	274.52	-2.12	-49.88
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004602869	0	25	-1.0	-49.48	244.31	3.88	-45.60
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004602869	1	25	-1.0	-49.44	244.41	3.86	-45.58
O=C(NC1=N[N-]N=N1)C1CCC2=CC=CC=C2CC1	REAL250004602870	0	33	-1.0	-44.71	264.83	6.68	-38.03
O=C(NC1=NN=N[N-]1)C1CCC2=CC=CC=C2CC1	REAL250004602870	1	33	-1.0	-44.79	264.74	6.69	-38.10
CC1=CC=C(COC(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602871	0	33	-1.0	-48.48	287.82	6.19	-42.29
CC1=CC=C(COC(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602871	1	33	-1.0	-48.55	287.73	6.21	-42.34
CCCCCCCCC(C)C(=O)NC1=N[N-]N=N1	REAL250004602872	0	40	-1.0	-43.68	318.80	7.46	-36.22
CCCCCCCCC(C)C(=O)NC1=NN=N[N-]1	REAL250004602872	1	40	-1.0	-43.79	318.70	7.48	-36.31
CC(C)(C)OC(=O)NC1(CC(=O)NC2=N[N-]N=N2)CC1	REAL250004602873	0	37	-1.0	-45.73	307.11	3.00	-42.73
CC(C)(C)OC(=O)NC1(CC(=O)NC2=NN=N[N-]2)CC1	REAL250004602873	1	37	-1.0	-45.82	307.01	3.01	-42.81
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004602874	0	29	-1.0	-43.46	254.98	4.14	-39.32
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004602874	1	29	-1.0	-43.40	255.08	4.12	-39.28
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL250004602875	0	29	-1.0	-43.46	254.98	4.14	-39.32
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CN1C=CN=N1	REAL250004602875	1	29	-1.0	-43.40	255.08	4.12	-39.28
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004602876	0	28	-1.0	-46.34	261.27	4.99	-41.35
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004602876	1	28	-1.0	-46.25	261.37	4.97	-41.28
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004602877	0	24	-1.0	-42.24	237.28	3.78	-38.46
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004602877	1	24	-1.0	-42.15	237.38	3.75	-38.40
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL250004602878	0	27	-1.0	-41.36	253.35	4.35	-37.01
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL250004602878	1	27	-1.0	-41.23	253.45	4.35	-36.88
O=C(NC1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL250004602879	0	28	-1.0	-40.78	248.44	4.40	-36.38
O=C(NC1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250004602879	1	28	-1.0	-40.85	248.35	4.41	-36.44
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004602880	0	26	-1.0	-50.12	252.34	0.19	-49.93
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004602880	1	26	-1.0	-50.01	252.44	0.17	-49.84
CC1=CC=CC=C1COC(C)C(=O)NC1=N[N-]N=N1	REAL250004602881	0	33	-1.0	-49.13	281.79	6.25	-42.88
CC1=CC=CC=C1COC(C)C(=O)NC1=NN=N[N-]1	REAL250004602881	1	33	-1.0	-49.22	281.70	6.27	-42.95
COC(=O)C1(C(=O)NC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004602882	0	33	-1.0	-42.98	275.56	5.32	-37.66
COC(=O)C1(C(=O)NC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004602882	1	33	-1.0	-43.04	275.46	5.33	-37.71
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004602883	0	29	-1.0	-45.35	248.74	4.64	-40.71
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004602883	1	29	-1.0	-45.43	248.65	4.65	-40.78
O=C(NC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250004602884	0	20	-1.0	-43.56	219.29	3.92	-39.64
O=C(NC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL250004602884	1	20	-1.0	-43.43	219.39	3.90	-39.53
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004602885	0	33	-1.0	-45.18	271.87	6.80	-38.38
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004602885	1	33	-1.0	-45.32	271.77	6.82	-38.50
COCCCN1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602886	0	30	-1.0	-47.24	269.14	2.27	-44.97
COCCCN1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602886	1	30	-1.0	-47.20	269.24	2.26	-44.94
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004602887	0	34	-1.0	-49.98	287.06	3.11	-46.87
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004602887	1	34	-1.0	-50.04	286.96	3.13	-46.91
CN1C=C(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)C=N1	REAL250004602888	0	31	-1.0	-46.58	272.96	2.58	-44.00
CN1C=C(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)C=N1	REAL250004602888	1	31	-1.0	-46.52	273.06	2.56	-43.96
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004602889	0	29	-1.0	-51.00	265.04	4.21	-46.79
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004602889	1	29	-1.0	-50.93	265.14	4.20	-46.73
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004602890	0	29	-1.0	-64.58	244.34	2.65	-61.93
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004602890	1	29	-1.0	-64.68	244.25	2.65	-62.03
CS(=O)(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602891	1	27	-1.0	-50.32	256.33	0.05	-50.27
CS(=O)(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602891	1	27	-1.0	-50.27	256.43	0.05	-50.22
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250004602892	0	26	-1.0	-45.37	234.26	3.00	-42.37
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL250004602892	1	26	-1.0	-45.26	234.36	3.00	-42.26
O=C(NC1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL250004602893	0	23	-1.0	-41.57	242.27	4.04	-37.53
O=C(NC1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)N=C1	REAL250004602893	1	23	-1.0	-41.50	242.37	4.04	-37.46
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL250004602894	0	31	-1.0	-43.06	268.16	2.27	-40.79
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL250004602894	1	31	-1.0	-42.96	268.25	2.25	-40.71
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004602895	0	37	-1.0	-45.94	304.70	2.61	-43.33
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004602895	1	37	-1.0	-46.00	304.61	2.62	-43.38
O=C(NC1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250004602896	0	23	-1.0	-51.82	226.10	4.81	-47.01
O=C(NC1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL250004602896	1	23	-1.0	-51.73	226.20	4.80	-46.93
O=C(NC1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL250004602897	0	34	-1.0	-52.24	287.07	4.69	-47.55
O=C(NC1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL250004602897	1	34	-1.0	-52.31	286.98	4.70	-47.61
O=C(NC1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004602898	0	27	-1.0	-47.06	254.83	4.93	-42.13
O=C(NC1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004602898	1	27	-1.0	-47.02	254.93	4.91	-42.11
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004602899	0	22	-1.0	-45.14	234.07	3.82	-41.32
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004602899	1	22	-1.0	-45.04	234.17	3.81	-41.23
COC1=CC(CCC(=O)NC2=N[N-]N=N2)=CC(OC)=C1O	REAL250004602900	0	35	-1.0	-46.47	303.02	2.29	-44.18
COC1=CC(CCC(=O)NC2=NN=N[N-]2)=CC(OC)=C1O	REAL250004602900	1	35	-1.0	-46.57	302.93	2.30	-44.27
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=N[N-]N=N1	REAL250004602901	0	30	-1.0	-46.45	269.55	3.72	-42.73
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=NN=N[N-]1	REAL250004602901	1	30	-1.0	-46.51	269.45	3.74	-42.77
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250004602902	0	32	-1.0	-46.71	265.23	4.33	-42.38
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL250004602902	1	32	-1.0	-46.70	265.33	4.31	-42.39
COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1OC(C)C	REAL250004602903	0	34	-1.0	-49.55	281.14	5.70	-43.85
COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1OC(C)C	REAL250004602903	1	34	-1.0	-49.51	281.26	5.69	-43.82
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL250004602904	0	31	-1.0	-47.58	272.12	4.28	-43.30
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL250004602904	1	31	-1.0	-47.56	272.22	4.26	-43.30
O=C(NC1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004602905	0	31	-1.0	-47.79	273.59	4.31	-43.48
O=C(NC1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004602905	1	31	-1.0	-47.84	273.47	4.32	-43.52
O=C(NC1=NN=N[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL250004602906	0	26	-1.0	-49.28	255.13	5.32	-43.96
O=C(NC1=N[N-]N=N1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL250004602906	1	26	-1.0	-49.24	255.23	5.32	-43.92
COC(=O)C=CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004602907	0	27	-1.0	-43.79	262.24	4.00	-39.79
COC(=O)C=CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004602907	1	27	-1.0	-43.86	262.14	4.00	-39.86
CC(C)(C)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602908	0	36	-1.0	-44.51	298.13	7.31	-37.20
CC(C)(C)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602908	1	36	-1.0	-44.56	298.03	7.32	-37.24
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL250004602909	0	20	-1.0	-46.94	219.03	4.20	-42.74
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC(F)=C1Cl	REAL250004602909	1	20	-1.0	-46.86	219.13	4.18	-42.68
COC(=O)C1=C(C)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004602910	0	26	-1.0	-40.26	246.43	3.21	-37.05
COC(=O)C1=C(C)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004602910	1	26	-1.0	-40.21	246.53	3.20	-37.01
COC(=O)C1=CN(CC(=O)NC2=N[N-]N=N2)N=C1	REAL250004602911	0	26	-1.0	-52.33	249.13	2.61	-49.72
COC(=O)C1=CN(CC(=O)NC2=NN=N[N-]2)N=C1	REAL250004602911	1	26	-1.0	-52.37	249.04	2.62	-49.75
C[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004602912	0	36	-1.0	-51.13	298.00	2.54	-48.59
C[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004602912	1	36	-1.0	-51.25	297.91	2.55	-48.70
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=N[N-]N=N2)C1	REAL250004602913	0	38	-1.0	-46.07	314.16	3.21	-42.86
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=NN=N[N-]2)C1	REAL250004602913	1	38	-1.0	-46.12	314.07	3.22	-42.90
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL250004602914	0	27	-1.0	-53.35	251.05	4.29	-49.06
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL250004602914	1	27	-1.0	-53.32	251.15	4.27	-49.05
CC1=C(C(=O)NC2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL250004602915	0	25	-1.0	-47.03	246.18	-2.51	-49.54
CC1=C(C(=O)NC2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL250004602915	1	25	-1.0	-46.95	246.28	-2.53	-49.48
CSC1=CC=C(O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602916	0	25	-1.0	-46.93	236.39	3.31	-43.62
CSC1=CC=C(O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602916	1	25	-1.0	-46.88	236.48	3.30	-43.58
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004602917	0	38	-1.0	-48.94	307.51	4.75	-44.19
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004602917	1	38	-1.0	-48.98	307.41	4.76	-44.22
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=NN=N[N-]2)O1	REAL250004602918	0	30	-1.0	-54.55	273.00	5.10	-49.45
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=N[N-]N=N2)O1	REAL250004602918	1	30	-1.0	-54.44	273.09	5.09	-49.35
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004602919	0	39	-1.0	-48.97	285.40	7.92	-41.05
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCCC1	REAL250004602919	1	39	-1.0	-49.03	285.29	7.92	-41.11
O=C(NC1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL250004602920	0	24	-1.0	-43.42	241.71	2.27	-41.15
O=C(NC1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL250004602920	1	24	-1.0	-43.51	241.62	2.28	-41.23
CC1=CC(CC(=O)NC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL250004602921	0	37	-1.0	-49.25	316.46	8.39	-40.86
CC1=CC(CC(=O)NC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL250004602921	1	37	-1.0	-49.34	316.37	8.40	-40.94
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004602922	0	33	-1.0	-45.18	278.48	7.02	-38.16
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004602922	1	33	-1.0	-45.25	278.38	7.04	-38.21
CCOCCN1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602923	0	30	-1.0	-44.71	269.49	2.45	-42.26
CCOCCN1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602923	1	30	-1.0	-44.62	269.59	2.44	-42.18
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250004602924	0	20	-1.0	-47.73	212.24	3.89	-43.84
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL250004602924	1	20	-1.0	-47.67	212.34	3.89	-43.78
CC1=NN(C2CCOCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602925	0	34	-1.0	-41.38	283.94	3.18	-38.20
CC1=NN(C2CCOCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602925	1	34	-1.0	-41.49	283.84	3.18	-38.31
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004602926	0	39	-1.0	-41.06	313.21	0.67	-40.39
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004602926	1	39	-1.0	-41.11	313.12	0.70	-40.41
CN1N=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004602927	0	20	-1.0	-42.83	227.31	2.29	-40.54
CN1N=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004602927	1	20	-1.0	-42.77	227.41	2.26	-40.51
O=C(NC1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL250004602928	0	36	-1.0	-47.45	295.73	7.70	-39.75
O=C(NC1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL250004602928	1	36	-1.0	-47.57	295.64	7.71	-39.86
O=C(NC1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004602929	0	33	-1.0	-43.78	290.67	6.18	-37.60
O=C(NC1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004602929	1	33	-1.0	-43.71	290.77	6.17	-37.54
O=C(NC1=N[N-]N=N1)C1(C2CCCC2)CCNC1=O	REAL250004602930	0	34	-1.0	-49.98	262.01	1.90	-48.08
O=C(NC1=NN=N[N-]1)C1(C2CCCC2)CCNC1=O	REAL250004602930	1	34	-1.0	-50.04	261.91	1.91	-48.13
CCOC1=CC=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004602931	0	31	-1.0	-46.53	273.37	5.21	-41.32
CCOC1=CC=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004602931	1	31	-1.0	-46.64	273.27	5.21	-41.43
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004602932	0	23	-1.0	-44.86	234.75	5.04	-39.82
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004602932	1	23	-1.0	-44.96	234.65	5.05	-39.91
CC1(C)CC1(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004602933	0	33	-1.0	-44.77	273.99	6.85	-37.92
CC1(C)CC1(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004602933	1	33	-1.0	-44.71	274.09	6.84	-37.87
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=N[N-]N=N1	REAL250004602934	0	27	-1.0	-44.20	264.60	4.67	-39.53
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=NN=N[N-]1	REAL250004602934	1	27	-1.0	-44.28	264.51	4.69	-39.59
O=C(NC1=NN=N[N-]1)C1=CSC=C1C(F)(F)F	REAL250004602935	0	20	-1.0	-49.36	211.91	3.80	-45.56
O=C(NC1=N[N-]N=N1)C1=CSC=C1C(F)(F)F	REAL250004602935	1	20	-1.0	-49.31	212.01	3.79	-45.52
CCCC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004602936	0	32	-1.0	-43.04	285.88	6.98	-36.06
CCCC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602936	1	32	-1.0	-43.16	285.78	7.00	-36.16
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004602937	0	37	-1.0	-46.10	309.92	3.56	-42.54
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004602937	1	37	-1.0	-46.17	309.83	3.57	-42.60
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004602938	0	30	-1.0	-46.74	263.45	2.61	-44.13
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004602938	1	30	-1.0	-46.66	263.55	2.59	-44.07
O=C(NC1=N[N-]N=N1)C1CS(=O)(=O)CC1C(F)(F)F	REAL250004602939	0	26	-1.0	-51.44	249.59	0.40	-51.04
O=C(NC1=NN=N[N-]1)C1CS(=O)(=O)CC1C(F)(F)F	REAL250004602939	1	26	-1.0	-51.54	249.50	0.41	-51.13
COC1=CC=CC(C(OC)C(=O)NC2=N[N-]N=N2)=C1	REAL250004602940	0	31	-1.0	-46.19	273.98	3.86	-42.33
COC1=CC=CC(C(OC)C(=O)NC2=NN=N[N-]2)=C1	REAL250004602940	1	31	-1.0	-46.20	273.89	3.88	-42.32
COCCOCCOCCCC(=O)NC1=N[N-]N=N1	REAL250004602941	0	37	-1.0	-50.71	318.26	1.89	-48.82
COCCOCCOCCCC(=O)NC1=NN=N[N-]1	REAL250004602941	1	37	-1.0	-50.74	318.17	1.90	-48.84
COC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1OC	REAL250004602942	0	34	-1.0	-47.72	291.85	5.32	-42.40
COC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1OC	REAL250004602942	1	34	-1.0	-47.63	291.95	5.30	-42.33
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=NN=N[N-]1	REAL250004602943	0	32	-1.0	-59.00	262.71	2.65	-56.35
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=N[N-]N=N1	REAL250004602943	1	32	-1.0	-58.89	262.80	2.65	-56.24
CC(=O)NC1=CNC(=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602945	0	27	-1.0	-67.50	249.38	-0.08	-67.58
CC(=O)NC1=CNC(=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602945	1	27	-1.0	-67.40	249.49	-0.09	-67.49
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL250004602946	0	28	-1.0	-47.26	261.71	6.70	-40.56
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL250004602946	1	28	-1.0	-47.18	261.82	6.69	-40.49
CN1C=CC(NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=N1	REAL250004602950	0	32	-1.0	-50.21	282.21	5.31	-44.90
CN1C=CC(NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=N1	REAL250004602950	1	32	-1.0	-50.07	282.39	5.32	-44.75
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=N[N-]N=N1	REAL250004602951	0	34	-1.0	-47.13	276.36	2.94	-44.19
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=NN=N[N-]1	REAL250004602951	1	34	-1.0	-47.20	276.27	2.95	-44.25
O=C(NC1=NN=N[N-]1)C1CCCN1C1=NC=CC=N1	REAL250004602952	0	30	-1.0	-52.32	259.13	3.98	-48.34
O=C(NC1=N[N-]N=N1)C1CCCN1C1=NC=CC=N1	REAL250004602952	1	30	-1.0	-52.24	259.22	3.97	-48.27
O=C(NC1=NN=N[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL250004602953	0	29	-1.0	-47.73	258.53	4.96	-42.77
O=C(NC1=N[N-]N=N1)C1=CC=C(NN2C=CN=C2)C=C1	REAL250004602953	1	29	-1.0	-47.61	258.63	4.95	-42.66
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602954	0	40	-1.0	-44.54	313.49	6.39	-38.15
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602954	1	40	-1.0	-44.43	313.59	6.37	-38.06
O=C(NC1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004602955	0	29	-1.0	-49.87	265.95	6.88	-42.99
O=C(NC1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004602955	1	29	-1.0	-49.81	266.05	6.87	-42.94
O=C(NC1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004602956	0	28	-1.0	-48.00	263.77	3.71	-44.29
O=C(NC1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004602956	1	28	-1.0	-48.05	263.67	3.72	-44.33
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCC2O)NC1=O	REAL250004602957	0	31	-1.0	-56.07	260.32	0.26	-55.81
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL250004602957	1	31	-1.0	-56.21	260.21	0.26	-55.95
NC1=C2N=CN(CCC(=O)NC3=NN=N[N-]3)C2=NC=N1	REAL250004602958	0	29	-1.0	-47.37	265.54	3.85	-43.52
NC1=C2N=CN(CCC(=O)NC3=N[N-]N=N3)C2=NC=N1	REAL250004602958	1	29	-1.0	-47.25	265.64	3.84	-43.41
O=C(NC1=NN=N[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL250004602959	0	25	-1.0	-45.71	248.23	0.30	-45.41
O=C(NC1=N[N-]N=N1)C1=CC2=CC(O)=C(O)C=C2S1	REAL250004602959	1	25	-1.0	-45.63	248.33	0.29	-45.34
O=C(NC1=NN=N[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL250004602960	0	23	-1.0	-42.46	232.37	-1.40	-43.86
O=C(NC1=N[N-]N=N1)C1=NC(C2=CN=CC=N2)=NO1	REAL250004602960	1	23	-1.0	-42.38	232.46	-1.40	-43.78
C#CCN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004602961	0	35	-1.0	-49.04	305.12	5.07	-43.97
C#CCN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004602961	1	35	-1.0	-49.12	305.03	5.08	-44.04
CC1=CC=C(C(=O)C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004602962	0	29	-1.0	-42.70	265.93	5.55	-37.15
CC1=CC=C(C(=O)C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004602962	1	29	-1.0	-42.82	265.84	5.56	-37.26
NC1=NN=NN1C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602963	0	27	-1.0	-55.33	248.47	3.73	-51.60
NC1=NN=NN1C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602963	1	27	-1.0	-55.28	248.56	3.71	-51.57
CCN1C(Br)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004602964	0	23	-1.0	-40.32	230.13	3.59	-36.73
CCN1C(Br)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004602964	1	23	-1.0	-40.22	230.23	3.59	-36.63
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CNC1=O	REAL250004602965	0	23	-1.0	-54.93	228.68	2.01	-52.92
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL250004602965	1	23	-1.0	-55.04	228.58	2.01	-53.03
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004602966	0	30	-1.0	-45.03	263.96	5.77	-39.26
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004602966	1	30	-1.0	-45.07	263.86	5.79	-39.28
CC(=CC1=CC=C(Br)O1)C(=O)NC1=N[N-]N=N1	REAL250004602967	0	24	-1.0	-42.58	238.39	4.71	-37.87
CC(=CC1=CC=C(Br)O1)C(=O)NC1=NN=N[N-]1	REAL250004602967	1	24	-1.0	-42.64	238.29	4.72	-37.92
O=CC1=CNC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C12	REAL250004602968	0	26	-1.0	-48.19	242.43	3.60	-44.59
O=CC1=CNC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C12	REAL250004602968	1	26	-1.0	-48.09	242.53	3.59	-44.50
O=CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602969	0	22	-1.0	-49.34	231.94	4.15	-45.19
O=CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602969	1	22	-1.0	-49.27	232.04	4.14	-45.13
O=C(NC1=NN=N[N-]1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL250004602970	0	27	-1.0	-45.88	245.41	-1.30	-47.18
O=C(NC1=N[N-]N=N1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL250004602970	1	27	-1.0	-45.83	245.51	-1.32	-47.15
O=C(NC1=N[N-]N=N1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL250004602971	0	31	-1.0	-50.55	263.66	2.77	-47.78
O=C(NC1=NN=N[N-]1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL250004602971	1	31	-1.0	-50.59	263.57	2.79	-47.80
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C2CCCCN21	REAL250004602972	0	30	-1.0	-48.27	270.06	4.64	-43.63
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL250004602972	1	30	-1.0	-48.34	269.96	4.65	-43.69
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004602973	0	22	-1.0	-41.47	230.27	2.88	-38.59
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004602973	1	22	-1.0	-41.41	230.38	2.87	-38.54
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004602974	0	34	-1.0	-53.51	302.37	2.87	-50.64
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004602974	1	34	-1.0	-53.61	302.28	2.88	-50.73
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL250004602975	0	33	-1.0	-45.29	295.89	5.34	-39.95
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL250004602975	1	33	-1.0	-45.24	295.99	5.34	-39.90
CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)S2)=CS1	REAL250004602976	0	26	-1.0	-44.66	267.39	4.36	-40.30
CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)S2)=CS1	REAL250004602976	1	26	-1.0	-44.60	267.49	4.36	-40.24
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004602977	0	34	-1.0	-50.22	290.27	6.54	-43.68
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004602977	1	34	-1.0	-50.30	290.17	6.55	-43.75
O=C(NC1=NN=N[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004602978	0	32	-1.0	-46.70	277.61	5.83	-40.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004602978	1	32	-1.0	-46.64	277.71	5.82	-40.82
O=C(NC1=N[N-]N=N1)C1(C2CCCCO2)CCC1	REAL250004602979	0	34	-1.0	-43.02	269.35	4.34	-38.68
O=C(NC1=NN=N[N-]1)C1(C2CCCCO2)CCC1	REAL250004602979	1	34	-1.0	-43.05	269.26	4.36	-38.69
O=C(NC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL250004602980	0	32	-1.0	-44.87	282.32	6.81	-38.06
O=C(NC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL250004602980	1	32	-1.0	-44.90	282.23	6.82	-38.08
COC1=CC=C(F)C(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004602981	0	28	-1.0	-50.15	259.19	2.52	-47.63
COC1=CC=C(F)C(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004602981	1	28	-1.0	-50.13	259.28	2.51	-47.62
COC1=CC=NC(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004602982	0	27	-1.0	-52.63	247.41	-0.20	-52.83
COC1=CC=NC(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004602982	1	27	-1.0	-52.55	247.51	-0.22	-52.77
COC(=O)C1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602983	0	26	-1.0	-40.56	244.50	2.09	-38.47
COC(=O)C1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602983	1	26	-1.0	-40.50	244.60	2.07	-38.43
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=N[N-]N=N2)C[C@H]1C	REAL250004602984	0	30	-1.0	-50.58	264.59	3.92	-46.66
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=NN=N[N-]2)C[C@H]1C	REAL250004602984	1	30	-1.0	-50.66	264.50	3.94	-46.72
O=C(C=CC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004602985	0	21	-1.0	-42.82	229.28	4.71	-38.11
O=C(C=CC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004602985	1	21	-1.0	-42.95	229.18	4.71	-38.24
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=N[N-]N=N1	REAL250004602986	0	28	-1.0	-47.79	266.89	4.84	-42.95
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=NN=N[N-]1	REAL250004602986	1	28	-1.0	-47.90	266.79	4.84	-43.06
O=C(NC1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250004602987	0	31	-1.0	-46.84	265.43	2.45	-44.39
O=C(NC1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL250004602987	1	31	-1.0	-46.79	265.53	2.43	-44.36
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=N[N-]N=N1)OC2=O	REAL250004602988	0	33	-1.0	-44.09	265.35	4.35	-39.74
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=NN=N[N-]1)OC2=O	REAL250004602988	1	33	-1.0	-44.14	265.25	4.37	-39.77
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL250004602989	0	30	-1.0	-43.50	268.44	6.35	-37.15
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL250004602989	1	30	-1.0	-43.46	268.53	6.33	-37.13
O=C(NC1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250004602990	0	28	-1.0	-52.96	247.56	2.17	-50.79
O=C(NC1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL250004602990	1	28	-1.0	-52.82	247.65	2.14	-50.68
CC1=CN(CC(=O)NC2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004602991	0	26	-1.0	-53.94	253.97	3.52	-50.42
CC1=CN(CC(=O)NC2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004602991	1	26	-1.0	-54.03	253.88	3.53	-50.50
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=N[N-]N=N1	REAL250004602992	0	34	-1.0	-44.89	286.99	-1.78	-46.67
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=NN=N[N-]1	REAL250004602992	1	34	-1.0	-44.97	286.89	-1.77	-46.74
O=C(CC1CCN(CC(F)F)CC1)NC1=N[N-]N=N1	REAL250004602993	0	34	-1.0	-48.75	269.85	2.81	-45.94
O=C(CC1CCN(CC(F)F)CC1)NC1=NN=N[N-]1	REAL250004602993	1	34	-1.0	-48.78	269.75	2.82	-45.96
COC1=CC(OC)=C(C(=O)NC2=NN=N[N-]2)C=C1C=O	REAL250004602994	0	30	-1.0	-51.01	265.02	4.68	-46.33
COC1=CC(OC)=C(C(=O)NC2=N[N-]N=N2)C=C1C=O	REAL250004602994	1	30	-1.0	-50.95	265.12	4.67	-46.28
NC1=C2N=CN(CCCC(=O)NC3=NN=N[N-]3)C2=NC=N1	REAL250004602995	0	32	-1.0	-55.28	287.04	4.65	-50.63
NC1=C2N=CN(CCCC(=O)NC3=N[N-]N=N3)C2=NC=N1	REAL250004602995	1	32	-1.0	-55.21	287.13	4.64	-50.57
O=C(CC(O)COCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004602996	0	34	-1.0	-52.64	298.92	3.12	-49.52
O=C(CC(O)COCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004602996	1	34	-1.0	-52.71	298.83	3.13	-49.58
O=C(NC1=N[N-]N=N1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL250004602997	0	31	-1.0	-50.31	276.39	4.75	-45.56
O=C(NC1=NN=N[N-]1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL250004602997	1	31	-1.0	-50.41	276.29	4.76	-45.65
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004602998	0	40	-1.0	-46.57	316.57	4.52	-42.05
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004602998	1	40	-1.0	-46.64	316.48	4.53	-42.11
O=C(NC1=NN=N[N-]1)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL250004602999	0	26	-1.0	-49.64	255.17	5.17	-44.47
O=C(NC1=N[N-]N=N1)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL250004602999	1	26	-1.0	-49.53	255.28	5.16	-44.37
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603000	0	30	-1.0	-62.26	268.04	2.12	-60.14
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603000	1	30	-1.0	-62.29	267.94	2.13	-60.16
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004603001	0	29	-1.0	-48.02	256.70	5.63	-42.39
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1=CC=NC=C1	REAL250004603001	1	29	-1.0	-47.97	256.79	5.62	-42.35
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=NN=N[N-]1	REAL250004603002	0	34	-1.0	-46.75	296.11	8.41	-38.34
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=N[N-]N=N1	REAL250004603002	1	34	-1.0	-46.66	296.21	8.40	-38.26
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004603003	0	30	-1.0	-56.18	260.04	3.12	-53.06
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL250004603003	1	30	-1.0	-56.12	260.14	3.11	-53.01
CC1=C(C)C(=O)N(CCC(=O)NC2=N[N-]N=N2)C1=O	REAL250004603004	0	30	-1.0	-48.01	275.04	3.09	-44.92
CC1=C(C)C(=O)N(CCC(=O)NC2=NN=N[N-]2)C1=O	REAL250004603004	1	30	-1.0	-48.10	274.95	3.11	-44.99
O=C(NC1=N[N-]N=N1)C1CC2CSCC(C1)C2=O	REAL250004603005	0	30	-1.0	-45.79	247.31	4.38	-41.41
O=C(NC1=NN=N[N-]1)C1CC2CSCC(C1)C2=O	REAL250004603005	1	30	-1.0	-45.90	247.21	4.39	-41.51
CCOC(=O)C1CCCN(CC(=O)NC2=N[N-]N=N2)C1	REAL250004603006	0	37	-1.0	-44.94	304.13	3.43	-41.51
CCOC(=O)C1CCCN(CC(=O)NC2=NN=N[N-]2)C1	REAL250004603006	1	37	-1.0	-44.97	304.03	3.44	-41.53
CCC(C)C(C(=O)NC1=N[N-]N=N1)N1C=CC=C1C=O	REAL250004603007	0	35	-1.0	-44.51	281.83	6.27	-38.24
CCC(C)C(C(=O)NC1=NN=N[N-]1)N1C=CC=C1C=O	REAL250004603007	1	35	-1.0	-44.59	281.74	6.29	-38.30
O=C(NC1=N[N-]N=N1)C1CCC(N2CCOCC2)CC1	REAL250004603008	1	39	-1.0	-47.21	290.18	2.10	-45.11
O=C(NC1=NN=N[N-]1)C1CCC(N2CCOCC2)CC1	REAL250004603008	1	39	-1.0	-47.28	290.08	2.12	-45.16
CC1=C(C(F)(F)F)C(C(=O)NC2=N[N-]N=N2)=NN1	REAL250004603009	0	23	-1.0	-48.21	223.51	1.80	-46.41
CC1=C(C(F)(F)F)C(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004603009	1	23	-1.0	-48.21	223.42	1.82	-46.39
O=CC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004603010	0	22	-1.0	-48.90	219.70	3.69	-45.21
O=CC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004603010	1	22	-1.0	-48.81	219.79	3.68	-45.13
CN1CCOC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004603011	0	30	-1.0	-45.94	252.43	2.39	-43.55
CN1CCOC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004603011	1	30	-1.0	-45.87	252.53	2.39	-43.48
CC(C)(CN1CCOCC1)C(=O)NC1=N[N-]N=N1	REAL250004603012	0	35	-1.0	-45.91	270.70	1.65	-44.26
CC(C)(CN1CCOCC1)C(=O)NC1=NN=N[N-]1	REAL250004603012	1	35	-1.0	-45.98	270.61	1.67	-44.31
O=C(CC1=CC=CC2=CN=CC=C21)NC1=NN=N[N-]1	REAL250004603014	0	28	-1.0	-48.16	249.85	4.84	-43.32
O=C(CC1=CC=CC2=CN=CC=C21)NC1=N[N-]N=N1	REAL250004603014	1	28	-1.0	-48.12	249.95	4.82	-43.30
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1CCCOC1	REAL250004603015	0	38	-1.0	-47.83	297.03	5.01	-42.82
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1CCCOC1	REAL250004603015	1	38	-1.0	-47.75	297.13	5.00	-42.75
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C(F)C=C1	REAL250004603016	0	27	-1.0	-42.86	248.36	4.44	-38.42
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C(F)C=C1	REAL250004603016	1	27	-1.0	-42.79	248.46	4.42	-38.37
CC1=NOC(C2(C(=O)NC3=N[N-]N=N3)CCOCC2)=C1	REAL250004603017	0	33	-1.0	-42.62	269.68	3.15	-39.47
CC1=NOC(C2(C(=O)NC3=NN=N[N-]3)CCOCC2)=C1	REAL250004603017	1	33	-1.0	-42.72	269.59	3.18	-39.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL250004603018	0	24	-1.0	-49.57	238.01	4.86	-44.71
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1OC(F)(F)F	REAL250004603018	1	24	-1.0	-49.47	238.11	4.85	-44.62
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004603019	0	32	-1.0	-47.91	275.18	5.93	-41.98
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004603019	1	32	-1.0	-47.83	275.28	5.91	-41.92
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603020	0	38	-1.0	-46.37	309.11	2.76	-43.61
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603020	1	38	-1.0	-46.46	309.02	2.78	-43.68
CC(C)(C)OC1=CC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603021	0	32	-1.0	-43.69	270.83	4.17	-39.52
CC(C)(C)OC1=CC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603021	1	32	-1.0	-43.62	270.92	4.18	-39.44
COC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004603022	0	30	-1.0	-41.90	275.61	4.10	-37.80
COC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004603022	1	30	-1.0	-41.85	275.71	4.09	-37.76
O=C(CC1=CC2=CC=NC=C2C=C1)NC1=NN=N[N-]1	REAL250004603023	0	28	-1.0	-47.34	253.06	4.97	-42.37
O=C(CC1=CC2=CC=NC=C2C=C1)NC1=N[N-]N=N1	REAL250004603023	1	28	-1.0	-47.27	253.15	4.95	-42.32
N#CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL250004603024	0	34	-1.0	-48.01	287.78	7.30	-40.71
N#CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL250004603024	1	34	-1.0	-48.10	287.69	7.32	-40.78
N#CC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603025	0	28	-1.0	-50.03	267.48	5.21	-44.82
N#CC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603025	1	28	-1.0	-50.08	267.38	5.22	-44.86
COC1=CC(COCC(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004603026	0	30	-1.0	-51.23	273.71	1.53	-49.70
COC1=CC(COCC(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004603026	1	30	-1.0	-51.33	273.62	1.54	-49.79
COC1=CC=C(COCC(=O)NC2=NN=N[N-]2)C=N1	REAL250004603027	0	30	-1.0	-50.99	273.58	1.52	-49.47
COC1=CC=C(COCC(=O)NC2=N[N-]N=N2)C=N1	REAL250004603027	1	30	-1.0	-50.94	273.67	1.51	-49.43
O=C(COCC1=CC(=O)NC=C1)NC1=N[N-]N=N1	REAL250004603028	0	27	-1.0	-66.32	249.18	1.83	-64.49
O=C(COCC1=CC(=O)NC=C1)NC1=NN=N[N-]1	REAL250004603028	1	27	-1.0	-66.39	249.09	1.84	-64.55
O=C(NC1=N[N-]N=N1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004603029	0	27	-1.0	-44.87	239.84	4.57	-40.30
O=C(NC1=NN=N[N-]1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004603029	1	27	-1.0	-44.94	239.74	4.59	-40.35
O=C(CC1=CC(Cl)=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004603030	0	23	-1.0	-43.57	245.61	5.48	-38.09
O=C(CC1=CC(Cl)=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004603030	1	23	-1.0	-43.66	245.52	5.50	-38.16
CSC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)S1	REAL250004603031	0	25	-1.0	-44.44	254.85	5.29	-39.15
CSC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)S1	REAL250004603031	1	25	-1.0	-44.54	254.74	5.29	-39.25
CC1CC(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N1	REAL250004603032	0	33	-1.0	-46.01	280.69	1.86	-44.15
CC1CC(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N1	REAL250004603032	1	33	-1.0	-45.96	280.79	1.85	-44.11
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL250004603033	0	30	-1.0	-42.46	258.56	1.87	-40.59
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2CCCC2)=N1	REAL250004603033	1	30	-1.0	-42.35	258.66	1.88	-40.47
O=C(COC1=CC=C(Br)C=N1)NC1=NN=N[N-]1	REAL250004603034	0	23	-1.0	-44.24	239.80	2.35	-41.89
O=C(COC1=CC=C(Br)C=N1)NC1=N[N-]N=N1	REAL250004603034	1	23	-1.0	-44.14	239.89	2.34	-41.80
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004603035	0	29	-1.0	-45.82	271.41	7.12	-38.70
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004603035	1	29	-1.0	-45.76	271.50	7.10	-38.66
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1N1CCOCC1	REAL250004603036	0	36	-1.0	-47.68	295.11	4.03	-43.65
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1N1CCOCC1	REAL250004603036	1	36	-1.0	-47.63	295.21	4.01	-43.62
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004603037	0	20	-1.0	-43.25	224.86	4.88	-38.37
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004603037	1	20	-1.0	-43.17	224.96	4.87	-38.30
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=C1	REAL250004603038	0	27	-1.0	-44.83	255.94	4.53	-40.30
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=C1	REAL250004603038	1	27	-1.0	-44.79	256.04	4.51	-40.28
COC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=COC2=C1C	REAL250004603039	0	33	-1.0	-49.17	289.45	4.87	-44.30
COC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=COC2=C1C	REAL250004603039	1	33	-1.0	-49.27	289.36	4.89	-44.38
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603040	0	34	-1.0	-43.03	292.60	7.35	-35.68
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603040	1	34	-1.0	-42.96	292.69	7.36	-35.60
CC1(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C2NC1=O	REAL250004603041	0	29	-1.0	-50.26	257.19	3.13	-47.13
CC1(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C2NC1=O	REAL250004603041	1	29	-1.0	-50.26	257.10	3.13	-47.13
CC1=C(C(=O)NC2=NN=N[N-]2)C=NC2=C(Cl)C=CC=C12	REAL250004603042	0	28	-1.0	-44.41	257.25	5.36	-39.05
CC1=C(C(=O)NC2=N[N-]N=N2)C=NC2=C(Cl)C=CC=C12	REAL250004603042	1	28	-1.0	-44.33	257.35	5.35	-38.98
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL250004603043	0	33	-1.0	-48.05	286.29	5.61	-42.44
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL250004603043	1	33	-1.0	-48.02	286.39	5.59	-42.43
CC(C)(C)C1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004603044	0	31	-1.0	-39.54	278.72	5.05	-34.49
CC(C)(C)C1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004603044	1	31	-1.0	-39.50	278.82	5.04	-34.46
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004603045	0	30	-1.0	-45.70	270.10	7.17	-38.53
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004603045	1	30	-1.0	-45.59	270.20	7.16	-38.43
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CN=C1F	REAL250004603046	0	19	-1.0	-43.52	208.29	2.60	-40.92
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CN=C1F	REAL250004603046	1	19	-1.0	-43.51	208.39	2.59	-40.92
O=C(NC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL250004603047	0	22	-1.0	-36.08	241.73	4.67	-31.41
O=C(NC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL250004603047	1	22	-1.0	-36.14	241.64	4.67	-31.47
CC1(C)CCC(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)C1	REAL250004603048	0	42	-1.0	-44.69	320.52	8.27	-36.42
CC1(C)CCC(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)C1	REAL250004603048	1	42	-1.0	-44.75	320.42	8.29	-36.46
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603049	0	28	-1.0	-45.20	261.01	5.45	-39.75
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603049	1	28	-1.0	-45.14	261.10	5.44	-39.70
CN1C(=O)COC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004603050	0	29	-1.0	-46.29	255.43	2.82	-43.47
CN1C(=O)COC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004603050	1	29	-1.0	-46.27	255.53	2.81	-43.46
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1F	REAL250004603051	0	23	-1.0	-56.73	224.95	4.77	-51.96
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1F	REAL250004603051	1	23	-1.0	-56.68	225.05	4.76	-51.92
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCOC2)N=N1	REAL250004603052	0	30	-1.0	-47.26	266.35	1.09	-46.17
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCOC2)N=N1	REAL250004603052	1	30	-1.0	-47.15	266.45	1.08	-46.07
O=C(CCC1=NN=C(C(F)F)O1)NC1=N[N-]N=N1	REAL250004603053	0	24	-1.0	-46.12	238.72	-1.52	-47.64
O=C(CCC1=NN=C(C(F)F)O1)NC1=NN=N[N-]1	REAL250004603053	1	24	-1.0	-46.19	238.63	-1.51	-47.70
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004603054	0	37	-1.0	-46.35	301.94	7.83	-38.52
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004603054	1	37	-1.0	-46.43	301.85	7.84	-38.59
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=C(F)C=C1	REAL250004603055	0	30	-1.0	-50.57	255.10	6.18	-44.39
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL250004603055	1	30	-1.0	-50.63	255.02	6.19	-44.44
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004603056	0	38	-1.0	-44.24	286.28	7.28	-36.96
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004603056	1	38	-1.0	-44.33	286.20	7.31	-37.02
C[C@@H]1C[C@]1(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004603057	0	35	-1.0	-42.54	283.34	5.73	-36.81
C[C@@H]1C[C@]1(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004603057	1	35	-1.0	-42.61	283.25	5.75	-36.86
CCC1=C(CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004603058	0	32	-1.0	-48.63	278.79	6.33	-42.30
CCC1=C(CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004603058	1	32	-1.0	-48.72	278.69	6.34	-42.38
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL250004603059	0	32	-1.0	-48.68	280.32	4.75	-43.93
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL250004603059	1	32	-1.0	-48.62	280.43	4.74	-43.88
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004603060	0	34	-1.0	-47.02	283.89	3.14	-43.88
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004603060	1	34	-1.0	-46.95	283.99	3.12	-43.83
O=C(NC1=NN=N[N-]1)C1=CC=NC(Cl)=C1Cl	REAL250004603061	0	19	-1.0	-43.17	210.63	2.93	-40.24
O=C(NC1=N[N-]N=N1)C1=CC=NC(Cl)=C1Cl	REAL250004603061	1	19	-1.0	-43.10	210.73	2.92	-40.18
O=C(CC(O)C(Cl)(Cl)Cl)NC1=N[N-]N=N1	REAL250004603062	0	20	-1.0	-42.17	226.91	1.57	-40.60
O=C(CC(O)C(Cl)(Cl)Cl)NC1=NN=N[N-]1	REAL250004603062	1	20	-1.0	-42.26	226.81	1.58	-40.68
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL250004603063	0	22	-1.0	-39.72	236.26	5.00	-34.72
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL250004603063	1	22	-1.0	-39.64	236.35	4.97	-34.67
O=C(NC1=NN=N[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004603064	0	32	-1.0	-45.56	279.39	6.01	-39.55
O=C(NC1=N[N-]N=N1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004603064	1	32	-1.0	-45.47	279.49	6.00	-39.47
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004603065	0	26	-1.0	-45.11	241.76	5.32	-39.79
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004603065	1	26	-1.0	-45.01	241.86	5.30	-39.71
CCOC1=CC=CC(CCC(=O)NC2=N[N-]N=N2)=C1	REAL250004603066	0	33	-1.0	-45.11	284.90	5.50	-39.61
CCOC1=CC=CC(CCC(=O)NC2=NN=N[N-]2)=C1	REAL250004603066	1	33	-1.0	-45.19	284.81	5.52	-39.67
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=N[N-]N=N1	REAL250004603067	0	39	-1.0	-52.06	312.34	5.29	-46.77
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=NN=N[N-]1	REAL250004603067	1	39	-1.0	-52.09	312.25	5.30	-46.79
CC1=CN2C=C(CC(=O)NC3=NN=N[N-]3)N=C2S1	REAL250004603068	0	26	-1.0	-57.41	250.53	5.12	-52.29
COC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004603069	0	24	-1.0	-45.83	242.59	3.44	-42.39
COC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004603069	1	24	-1.0	-45.76	242.69	3.43	-42.33
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NC1=N[N-]N=N1	REAL250004603070	0	33	-1.0	-52.60	281.03	5.81	-46.79
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NC1=NN=N[N-]1	REAL250004603070	1	33	-1.0	-52.69	280.94	5.82	-46.87
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004603071	0	26	-1.0	-50.84	252.69	4.91	-45.93
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004603071	1	26	-1.0	-50.73	252.80	4.90	-45.83
CC1(C(=O)NC2=N[N-]N=N2)COC2=CC=CC=C2O1	REAL250004603072	0	29	-1.0	-46.21	253.13	3.69	-42.52
CC1(C(=O)NC2=NN=N[N-]2)COC2=CC=CC=C2O1	REAL250004603072	1	29	-1.0	-46.28	253.04	3.70	-42.58
COC(=O)C=CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603073	0	30	-1.0	-46.93	274.42	5.71	-41.22
COC(=O)C=CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603073	1	30	-1.0	-47.00	274.32	5.72	-41.28
CC(C)CC1(C(=O)NC2=N[N-]N=N2)CCNC1=O	REAL250004603074	0	33	-1.0	-51.83	258.16	1.48	-50.35
CC(C)CC1(C(=O)NC2=NN=N[N-]2)CCNC1=O	REAL250004603074	1	33	-1.0	-51.93	258.07	1.50	-50.43
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004603075	0	34	-1.0	-50.62	298.25	3.17	-47.45
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004603075	1	34	-1.0	-50.56	298.35	3.15	-47.41
O=C(CC1=CC=C(O)C(Cl)=C1)NC1=N[N-]N=N1	REAL250004603076	0	24	-1.0	-46.75	239.20	2.17	-44.58
O=C(CC1=CC=C(O)C(Cl)=C1)NC1=NN=N[N-]1	REAL250004603076	1	24	-1.0	-46.80	239.10	2.19	-44.61
CC1=CC(C)=C(C=CC(=O)NC2=NN=N[N-]2)C=C1C	REAL250004603077	0	33	-1.0	-45.10	277.82	6.72	-38.38
CC1=CC(C)=C(C=CC(=O)NC2=N[N-]N=N2)C=C1C	REAL250004603077	1	33	-1.0	-45.01	277.92	6.71	-38.30
O=C(C=CC1=CSC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL250004603078	0	24	-1.0	-44.69	252.66	5.14	-39.55
O=C(C=CC1=CSC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL250004603078	1	24	-1.0	-44.77	252.56	5.14	-39.63
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004603079	0	29	-1.0	-46.23	238.91	4.65	-41.58
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004603079	1	29	-1.0	-46.33	238.83	4.66	-41.67
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004603080	0	27	-1.0	-45.88	256.82	6.20	-39.68
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004603080	1	27	-1.0	-45.95	256.72	6.21	-39.74
CC(C(=O)NC1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004603081	0	26	-1.0	-47.02	252.24	3.35	-43.67
CC(C(=O)NC1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004603081	1	26	-1.0	-47.07	252.15	3.37	-43.70
CC1=CC=CC(COC(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004603082	0	33	-1.0	-48.60	287.78	6.18	-42.42
CC1=CC=CC(COC(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004603082	1	33	-1.0	-48.64	287.69	6.20	-42.44
O=C(C=CC1=CC=CC=C1C(F)(F)F)NC1=N[N-]N=N1	REAL250004603083	0	27	-1.0	-49.36	255.57	5.81	-43.55
O=C(C=CC1=CC=CC=C1C(F)(F)F)NC1=NN=N[N-]1	REAL250004603083	1	27	-1.0	-49.42	255.47	5.82	-43.60
O=C(C=CC1=CC=C2NC=CC2=C1)NC1=NN=N[N-]1	REAL250004603084	0	28	-1.0	-48.52	253.26	5.02	-43.50
O=C(C=CC1=CC=C2NC=CC2=C1)NC1=N[N-]N=N1	REAL250004603084	1	28	-1.0	-48.44	253.36	5.02	-43.42
COC(=O)C1=COC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004603085	0	27	-1.0	-48.19	261.43	3.89	-44.30
COC(=O)C1=COC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004603085	1	27	-1.0	-48.26	261.32	3.89	-44.37
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCCC2)N=C1	REAL250004603086	0	33	-1.0	-45.13	279.09	5.11	-40.02
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCCC2)N=C1	REAL250004603086	1	33	-1.0	-45.07	279.19	5.10	-39.97
COCCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004603087	0	30	-1.0	-44.15	263.57	1.95	-42.20
COCCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004603087	1	30	-1.0	-44.25	263.47	1.97	-42.28
CC1(C)[C@H](C(=O)NC2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL250004603088	0	33	-1.0	-44.46	275.96	6.72	-37.74
CC1(C)[C@H](C(=O)NC2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL250004603088	1	33	-1.0	-44.57	275.87	6.73	-37.84
O=C(CCC1=CC=C(F)C2=C1CCCC2)NC1=N[N-]N=N1	REAL250004603089	0	36	-1.0	-42.63	295.09	7.56	-35.07
O=C(CCC1=CC=C(F)C2=C1CCCC2)NC1=NN=N[N-]1	REAL250004603089	1	36	-1.0	-42.71	295.00	7.57	-35.14
O=C(CC1=COC2=CC(Cl)=CC=C12)NC1=N[N-]N=N1	REAL250004603090	0	26	-1.0	-46.53	256.69	5.34	-41.19
O=C(CC1=COC2=CC(Cl)=CC=C12)NC1=NN=N[N-]1	REAL250004603090	1	26	-1.0	-46.66	256.60	5.36	-41.30
CCC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC=C1	REAL250004603091	0	30	-1.0	-43.74	263.58	5.15	-38.59
CCC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC=C1	REAL250004603091	1	30	-1.0	-43.62	263.68	5.13	-38.49
O=C(NC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004603092	0	25	-1.0	-46.28	220.23	2.30	-43.98
O=C(NC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004603092	1	25	-1.0	-46.28	220.14	2.31	-43.97
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004603093	0	32	-1.0	-43.50	281.58	7.42	-36.08
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004603093	1	32	-1.0	-43.60	281.49	7.44	-36.16
CCOC(=O)C1(CC(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004603094	0	36	-1.0	-51.30	288.99	3.97	-47.33
CCOC(=O)C1(CC(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004603094	1	36	-1.0	-51.34	288.90	3.98	-47.36
O=C(NC1=N[N-]N=N1)C1=CC(O)=CC(Br)=C1	REAL250004603095	0	21	-1.0	-42.88	219.82	1.56	-41.32
O=C(NC1=NN=N[N-]1)C1=CC(O)=CC(Br)=C1	REAL250004603095	1	21	-1.0	-42.92	219.72	1.58	-41.34
O=C(NC1=N[N-]N=N1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004603096	0	28	-1.0	-46.95	255.45	6.76	-40.19
O=C(NC1=NN=N[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL250004603096	1	28	-1.0	-47.02	255.36	6.77	-40.25
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL250004603097	0	34	-1.0	-45.11	279.94	5.18	-39.93
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCOCC2)C=C1	REAL250004603097	1	34	-1.0	-45.10	280.03	5.17	-39.93
CN1CC(=O)NC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C21	REAL250004603098	0	29	-1.0	-44.92	256.38	0.30	-44.62
CN1CC(=O)NC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C21	REAL250004603098	1	29	-1.0	-44.84	256.48	0.30	-44.54
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1O	REAL250004603099	0	29	-1.0	-47.80	262.19	2.14	-45.66
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1O	REAL250004603099	1	29	-1.0	-47.88	262.09	2.14	-45.74
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=N[N-]N=N1	REAL250004603100	0	24	-1.0	-47.73	247.72	4.96	-42.77
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=NN=N[N-]1	REAL250004603100	1	24	-1.0	-47.80	247.62	4.97	-42.83
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=N[N-]N=N1	REAL250004603101	0	29	-1.0	-44.11	265.73	6.15	-37.96
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=NN=N[N-]1	REAL250004603101	1	29	-1.0	-44.21	265.64	6.17	-38.04
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004603102	0	30	-1.0	-41.62	268.18	2.26	-39.36
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004603102	1	30	-1.0	-41.71	268.08	2.27	-39.44
CN1C=C(CNC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=N1	REAL250004603103	0	35	-1.0	-50.77	306.43	4.22	-46.55
CN1C=C(CNC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=N1	REAL250004603103	1	35	-1.0	-50.70	306.53	4.22	-46.48
CN1C=CN=C1CNC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603104	0	35	-1.0	-50.91	304.24	4.78	-46.13
CN1C=CN=C1CNC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603104	1	35	-1.0	-50.98	304.13	4.78	-46.20
NC1=C(C(=O)NC2=NN=N[N-]2)SC2=NC=CC=C12	REAL250004603105	0	24	-1.0	-47.88	230.31	1.51	-46.37
NC1=C(C(=O)NC2=N[N-]N=N2)SC2=NC=CC=C12	REAL250004603105	1	24	-1.0	-47.78	230.42	1.50	-46.28
O=C(NC1=NN=N[N-]1)C1=CN=C(NC2CC2)S1	REAL250004603106	0	25	-1.0	-44.42	243.75	2.75	-41.67
O=C(NC1=N[N-]N=N1)C1=CN=C(NC2CC2)S1	REAL250004603106	1	25	-1.0	-44.31	243.86	2.75	-41.56
O=C(NC1=N[N-]N=N1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL250004603107	0	35	-1.0	-52.40	305.70	6.01	-46.39
O=C(NC1=NN=N[N-]1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL250004603107	1	35	-1.0	-52.52	305.60	6.02	-46.50
COC1=CC=CC(C(C)(C)C(=O)NC2=N[N-]N=N2)=C1	REAL250004603108	0	33	-1.0	-48.63	272.67	4.68	-43.95
COC1=CC=CC(C(C)(C)C(=O)NC2=NN=N[N-]2)=C1	REAL250004603108	1	33	-1.0	-48.72	272.58	4.70	-44.02
CC(C)(C)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603109	0	35	-1.0	-44.72	283.83	6.83	-37.89
CC(C)(C)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603109	1	35	-1.0	-44.66	283.93	6.81	-37.85
CCOC1COCCC1CC(=O)NC1=N[N-]N=N1	REAL250004603110	0	34	-1.0	-43.99	275.44	2.74	-41.25
CCOC1COCCC1CC(=O)NC1=NN=N[N-]1	REAL250004603110	1	34	-1.0	-44.00	275.35	2.75	-41.25
O=C(C=CCOC1CCOCC1)NC1=N[N-]N=N1	REAL250004603111	0	32	-1.0	-47.46	273.99	2.40	-45.06
O=C(C=CCOC1CCOCC1)NC1=NN=N[N-]1	REAL250004603111	1	32	-1.0	-47.54	273.90	2.41	-45.13
O=C(C=CC1=CC=C(Cl)N=C1)NC1=N[N-]N=N1	REAL250004603112	0	23	-1.0	-44.72	233.78	3.65	-41.07
O=C(C=CC1=CC=C(Cl)N=C1)NC1=NN=N[N-]1	REAL250004603112	1	23	-1.0	-44.80	233.68	3.65	-41.15
COC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)O1	REAL250004603113	0	27	-1.0	-44.56	262.94	4.05	-40.51
COC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)O1	REAL250004603113	1	27	-1.0	-44.67	262.84	4.05	-40.62
CN1C=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=N1	REAL250004603114	0	30	-1.0	-49.99	267.38	5.10	-44.89
CN1C=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=N1	REAL250004603114	1	30	-1.0	-49.93	267.48	5.09	-44.84
CC1=NN(CC(=O)NC2=N[N-]N=N2)C(C(F)F)=C1	REAL250004603115	0	26	-1.0	-45.61	245.04	3.11	-42.50
CC1=NN(CC(=O)NC2=NN=N[N-]2)C(C(F)F)=C1	REAL250004603115	1	26	-1.0	-45.70	244.94	3.12	-42.58
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=N[N-]N=N1	REAL250004603116	0	26	-1.0	-53.43	244.69	5.15	-48.28
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=NN=N[N-]1	REAL250004603116	1	26	-1.0	-53.51	244.59	5.16	-48.35
O=C(NC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL250004603117	0	33	-1.0	-60.38	280.37	5.18	-55.20
O=C(NC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL250004603117	1	33	-1.0	-60.30	280.46	5.19	-55.11
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004603118	0	32	-1.0	-50.99	272.21	4.91	-46.08
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004603118	1	32	-1.0	-51.06	272.11	4.93	-46.13
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1C	REAL250004603119	0	29	-1.0	-45.80	258.16	5.01	-40.79
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1C	REAL250004603119	1	29	-1.0	-45.75	258.26	4.99	-40.76
CC(C)(C)N1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004603120	0	32	-1.0	-59.39	260.99	4.71	-54.68
CC(C)(C)N1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004603120	1	32	-1.0	-59.27	261.09	4.71	-54.56
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603121	0	28	-1.0	-42.99	259.41	5.28	-37.71
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603121	1	28	-1.0	-42.94	259.50	5.27	-37.67
CC1=CSC2=NC(CC(=O)NC3=NN=N[N-]3)=CN12	REAL250004603122	0	26	-1.0	-57.37	249.92	4.86	-52.51
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004603123	0	30	-1.0	-48.79	263.75	6.54	-42.25
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004603123	1	30	-1.0	-48.87	263.65	6.55	-42.32
O=C(CN1CCCCC(=O)C1=O)NC1=N[N-]N=N1	REAL250004603124	0	29	-1.0	-57.71	253.94	2.66	-55.05
O=C(CN1CCCCC(=O)C1=O)NC1=NN=N[N-]1	REAL250004603124	1	29	-1.0	-57.78	253.85	2.67	-55.11
O=C(NC1=N[N-]N=N1)C1CC2CCCCC(C1)C2=O	REAL250004603125	0	35	-1.0	-44.76	267.13	5.13	-39.63
O=C(NC1=NN=N[N-]1)C1CC2CCCCC(C1)C2=O	REAL250004603125	1	35	-1.0	-44.84	267.03	5.15	-39.69
CC(C)(C)OC(=O)NC(CO)C(=O)NC1=N[N-]N=N1	REAL250004603126	0	34	-1.0	-44.91	286.99	-1.78	-46.69
CC(C)(C)OC(=O)NC(CO)C(=O)NC1=NN=N[N-]1	REAL250004603126	1	34	-1.0	-44.95	286.89	-1.77	-46.72
O=C(CC1=NC(F)=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004603127	0	22	-1.0	-44.94	225.19	2.62	-42.32
O=C(CC1=NC(F)=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004603127	1	22	-1.0	-45.00	225.10	2.64	-42.36
C=CC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603128	0	28	-1.0	-58.93	255.63	3.26	-55.67
C=CC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603128	1	28	-1.0	-58.89	255.73	3.23	-55.66
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NCC(F)(F)F	REAL250004603129	0	28	-1.0	-47.36	257.91	4.22	-43.14
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NCC(F)(F)F	REAL250004603129	1	28	-1.0	-47.25	258.01	4.22	-43.03
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=N[N-]N=N2)O1	REAL250004603130	0	31	-1.0	-55.79	268.34	0.47	-55.32
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=NN=N[N-]2)O1	REAL250004603130	1	31	-1.0	-55.80	268.24	0.49	-55.31
CCC1=CC2=C(SC=C2CC(=O)NC2=NN=N[N-]2)S1	REAL250004603131	0	29	-1.0	-45.79	283.03	6.50	-39.29
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL250004603132	0	21	-1.0	-39.01	219.63	2.91	-36.10
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=N1	REAL250004603132	1	21	-1.0	-38.94	219.73	2.90	-36.04
O=C(CCCOC1CCOCC1)NC1=N[N-]N=N1	REAL250004603133	0	34	-1.0	-47.92	282.26	2.58	-45.34
O=C(CCCOC1CCOCC1)NC1=NN=N[N-]1	REAL250004603133	1	34	-1.0	-48.04	282.16	2.59	-45.45
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=NN=N[N-]1	REAL250004603134	0	34	-1.0	-58.68	285.92	2.72	-55.96
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=N[N-]N=N1	REAL250004603134	1	34	-1.0	-58.61	286.02	2.70	-55.91
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=N[N-]N=N1	REAL250004603135	0	38	-1.0	-47.75	326.87	2.97	-44.78
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=NN=N[N-]1	REAL250004603135	1	38	-1.0	-47.80	326.77	2.98	-44.82
CC1=CC2=C(SC=C2CC(=O)NC2=NN=N[N-]2)S1	REAL250004603136	0	26	-1.0	-46.06	261.54	5.73	-40.33
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004603137	0	37	-1.0	-45.39	304.85	2.54	-42.85
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004603137	1	37	-1.0	-45.41	304.76	2.55	-42.86
C[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603138	0	36	-1.0	-51.18	298.00	2.54	-48.64
C[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603138	1	36	-1.0	-51.24	297.90	2.55	-48.69
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)NN=C1Cl	REAL250004603139	0	24	-1.0	-44.39	240.11	2.72	-41.67
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)NN=C1Cl	REAL250004603139	1	24	-1.0	-44.44	240.01	2.75	-41.69
COC(C(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004603140	0	32	-1.0	-45.97	273.13	4.13	-41.84
COC(C(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004603140	1	32	-1.0	-46.01	273.04	4.13	-41.88
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004603141	0	32	-1.0	-44.72	276.04	7.40	-37.32
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004603141	1	32	-1.0	-44.78	275.94	7.42	-37.36
CC(CCC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603142	0	32	-1.0	-46.20	277.63	6.64	-39.56
CC(CCC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603142	1	32	-1.0	-46.23	277.53	6.67	-39.56
CC(C)(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004603143	0	32	-1.0	-42.54	263.94	6.10	-36.44
CC(C)(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004603143	1	32	-1.0	-42.64	263.84	6.11	-36.53
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL250004603144	0	22	-1.0	-43.75	237.48	3.87	-39.88
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2S1	REAL250004603144	1	22	-1.0	-43.68	237.58	3.85	-39.83
COCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004603145	0	27	-1.0	-43.16	246.15	3.74	-39.42
COCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004603145	1	27	-1.0	-43.11	246.25	3.73	-39.38
CCN1N=CN=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603146	0	32	-1.0	-46.59	277.26	6.31	-40.28
CCN1N=CN=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603146	1	32	-1.0	-45.35	277.36	6.30	-39.05
O=C(CN1C=CC(Br)=CC1=O)NC1=N[N-]N=N1	REAL250004603147	0	23	-1.0	-51.89	237.65	3.71	-48.18
O=C(CN1C=CC(Br)=CC1=O)NC1=NN=N[N-]1	REAL250004603147	1	23	-1.0	-51.94	237.56	3.72	-48.22
O=C(NC1=NN=N[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL250004603148	0	38	-1.0	-44.42	296.28	6.46	-37.96
O=C(NC1=N[N-]N=N1)C(CC1=CC=CN=C1)C1CCCC1	REAL250004603148	1	38	-1.0	-44.45	296.37	6.44	-38.01
O=C(NC1=NN=N[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL250004603149	0	22	-1.0	-42.15	237.86	3.85	-38.30
O=C(NC1=N[N-]N=N1)C1=CC2=CC=NC(Cl)=C2S1	REAL250004603149	1	22	-1.0	-42.06	237.96	3.84	-38.22
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004603150	0	27	-1.0	-44.23	245.80	5.90	-38.33
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004603150	1	27	-1.0	-44.19	245.89	5.89	-38.30
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL250004603151	0	30	-1.0	-51.09	274.04	4.20	-46.89
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL250004603151	1	30	-1.0	-51.02	274.14	4.17	-46.85
CCOC(C(=O)NC1=N[N-]N=N1)C1CCOCC1	REAL250004603152	0	34	-1.0	-47.09	274.37	3.26	-43.83
CCOC(C(=O)NC1=NN=N[N-]1)C1CCOCC1	REAL250004603152	1	34	-1.0	-47.17	274.27	3.27	-43.90
CC1(C)CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2O1	REAL250004603153	0	31	-1.0	-48.29	264.69	5.04	-43.25
CC1(C)CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2O1	REAL250004603153	1	31	-1.0	-48.26	264.79	5.03	-43.23
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL250004603154	0	22	-1.0	-60.78	222.23	4.60	-56.18
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL250004603154	1	22	-1.0	-60.70	222.33	4.60	-56.10
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=N1	REAL250004603155	0	28	-1.0	-49.05	262.75	3.30	-45.75
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=N1	REAL250004603155	1	28	-1.0	-49.14	262.66	3.32	-45.82
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1N1CCOCC1	REAL250004603156	0	32	-1.0	-44.85	268.13	2.06	-42.79
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1N1CCOCC1	REAL250004603156	1	32	-1.0	-44.75	268.23	2.03	-42.72
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603157	0	36	-1.0	-53.56	303.88	-1.10	-54.66
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603157	1	36	-1.0	-53.64	303.78	-1.09	-54.73
CN1CC(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)C1	REAL250004603158	0	33	-1.0	-49.88	271.93	-0.19	-50.07
CN1CC(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)C1	REAL250004603158	1	33	-1.0	-49.96	271.84	-0.18	-50.14
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603159	0	31	-1.0	-41.56	275.49	5.79	-35.77
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603159	1	31	-1.0	-41.65	275.40	5.81	-35.84
CC1NC2=CC=NN2C(C)C1CCC(=O)NC1=NN=N[N-]1	REAL250004603160	0	38	-1.0	-53.31	295.03	3.60	-49.71
CC1NC2=CC=NN2C(C)C1CCC(=O)NC1=N[N-]N=N1	REAL250004603160	1	38	-1.0	-53.24	295.12	3.59	-49.65
CSC1=NC=C(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004603161	0	23	-1.0	-51.14	227.61	1.35	-49.79
CSC1=NC=C(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004603161	1	23	-1.0	-51.24	227.51	1.34	-49.90
N#CC1=C2C(C(=O)NC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004603162	0	25	-1.0	-64.06	233.89	4.13	-59.93
N#CC1=C2C(C(=O)NC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004603162	1	25	-1.0	-63.93	233.99	4.12	-59.81
C=CC(=O)NC1=CC=C(O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603163	0	29	-1.0	-55.97	264.77	1.74	-54.23
C=CC(=O)NC1=CC=C(O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603163	1	29	-1.0	-55.87	264.87	1.72	-54.15
O=CC1=CN(CC(=O)NC2=NN=N[N-]2)N=C1C1=CC=CC=C1	REAL250004603164	0	32	-1.0	-60.85	290.31	5.26	-55.59
O=CC1=CN(CC(=O)NC2=N[N-]N=N2)N=C1C1=CC=CC=C1	REAL250004603164	1	32	-1.0	-60.73	290.41	5.26	-55.47
CC(C)(CC1=CC=C(O)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603165	0	33	-1.0	-43.82	274.16	3.26	-40.56
CC(C)(CC1=CC=C(O)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603165	1	33	-1.0	-43.89	274.07	3.26	-40.63
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(O)C=C2)CC1	REAL250004603166	0	31	-1.0	-50.95	274.55	3.52	-47.43
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(O)C=C2)CC1	REAL250004603166	1	31	-1.0	-51.05	274.46	3.53	-47.52
CN1C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N=C1CO	REAL250004603167	0	30	-1.0	-55.39	267.33	1.53	-53.86
CN1C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N=C1CO	REAL250004603167	1	30	-1.0	-55.33	267.43	1.52	-53.81
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603168	0	29	-1.0	-44.24	255.98	2.01	-42.23
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603168	1	29	-1.0	-44.16	256.07	2.00	-42.16
O=C(NC1=N[N-]N=N1)C(CCCO)C1=CC=CC=C1	REAL250004603169	0	33	-1.0	-44.94	282.75	3.08	-41.86
O=C(NC1=NN=N[N-]1)C(CCCO)C1=CC=CC=C1	REAL250004603169	1	33	-1.0	-44.96	282.67	3.10	-41.86
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603170	0	35	-1.0	-40.45	299.38	4.14	-36.31
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603170	1	35	-1.0	-40.39	299.48	4.12	-36.27
CC(C1=CC=CC=C1F)C(O)C(=O)NC1=N[N-]N=N1	REAL250004603171	0	30	-1.0	-43.22	257.93	3.89	-39.33
CC(C1=CC=CC=C1F)C(O)C(=O)NC1=NN=N[N-]1	REAL250004603171	1	30	-1.0	-43.31	257.84	3.91	-39.40
CS(C)(=O)=NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603172	0	30	-1.0	-63.60	268.36	2.20	-61.40
CS(C)(=O)=NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603172	1	30	-1.0	-63.66	268.26	2.21	-61.45
CC(C)(C)C1=CSC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603173	0	28	-1.0	-46.87	255.31	3.45	-43.42
CC(C)(C)C1=CSC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603173	1	28	-1.0	-46.80	255.42	3.43	-43.37
O=C(NC1=NN=N[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL250004603174	0	31	-1.0	-44.15	270.00	5.81	-38.34
O=C(NC1=N[N-]N=N1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL250004603174	1	31	-1.0	-44.07	270.10	5.79	-38.28
CC1=C(CC(=O)NC2=N[N-]N=N2)C(=O)NC(=O)N1	REAL250004603175	0	26	-1.0	-54.01	238.66	-0.82	-54.83
CC1=C(CC(=O)NC2=NN=N[N-]2)C(=O)NC(=O)N1	REAL250004603175	1	26	-1.0	-54.08	238.57	-0.81	-54.89
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NC1=N[N-]N=N1	REAL250004603176	0	28	-1.0	-52.41	255.80	4.17	-48.24
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NC1=NN=N[N-]1	REAL250004603176	1	28	-1.0	-52.46	255.71	4.18	-48.28
O=CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C(O)=C2)O1	REAL250004603177	1	30	-1.0	-56.07	279.90	4.43	-51.64
O=CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C(O)=C2)O1	REAL250004603177	1	30	-1.0	-56.12	279.80	4.43	-51.69
CCC(O)CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004603178	0	29	-1.0	-48.02	261.76	-0.61	-48.63
CCC(O)CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004603178	1	29	-1.0	-47.96	261.86	-0.63	-48.59
O=C(NC1=NN=N[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL250004603179	0	26	-1.0	-39.43	246.85	3.76	-35.67
O=C(NC1=N[N-]N=N1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL250004603179	1	26	-1.0	-39.38	246.94	3.75	-35.63
CS(C)(=O)=NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603180	0	30	-1.0	-61.51	266.55	2.40	-59.11
CS(C)(=O)=NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603180	1	30	-1.0	-61.38	266.65	2.40	-58.98
O=C(CC1=NC(C2CC2)=CS1)NC1=N[N-]N=N1	REAL250004603181	0	26	-1.0	-47.13	247.78	3.64	-43.49
O=C(CC1=NC(C2CC2)=CS1)NC1=NN=N[N-]1	REAL250004603181	1	26	-1.0	-47.22	247.69	3.66	-43.56
CCCCCCC(O)CCC(=O)NC1=N[N-]N=N1	REAL250004603182	0	38	-1.0	-43.20	312.20	3.70	-39.50
CCCCCCC(O)CCC(=O)NC1=NN=N[N-]1	REAL250004603182	1	38	-1.0	-43.27	312.11	3.71	-39.56
COC1=CN=NC(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004603183	0	26	-1.0	-48.23	242.59	-1.49	-49.72
COC1=CN=NC(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004603183	1	26	-1.0	-48.18	242.69	-1.51	-49.69
O=C(CS(=O)C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL250004603184	0	25	-1.0	-52.36	259.38	3.08	-49.28
O=C(CS(=O)C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL250004603184	1	25	-1.0	-52.45	259.29	3.09	-49.36
O=C(NC1=N[N-]N=N1)C1=CN=C(CC2CC2)S1	REAL250004603185	0	26	-1.0	-42.99	248.94	3.97	-39.02
O=C(NC1=NN=N[N-]1)C1=CN=C(CC2CC2)S1	REAL250004603185	1	26	-1.0	-43.10	248.84	3.98	-39.12
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL250004603186	0	23	-1.0	-47.58	243.40	5.72	-41.86
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL250004603186	1	23	-1.0	-47.49	243.50	5.71	-41.78
CC1=CC2=C(S1)C(CC(=O)NC1=N[N-]N=N1)=CS2	REAL250004603187	0	26	-1.0	-46.21	260.92	5.69	-40.52
CC1=CC2=C(S1)C(CC(=O)NC1=NN=N[N-]1)=CS2	REAL250004603187	1	26	-1.0	-46.30	260.83	5.71	-40.59
CN1N=C2CCSCC2=C1C(=O)NC1=NN=N[N-]1	REAL250004603188	0	28	-1.0	-41.30	256.54	3.52	-37.78
CN1N=C2CCSCC2=C1C(=O)NC1=N[N-]N=N1	REAL250004603188	1	28	-1.0	-41.23	256.64	3.51	-37.72
CC1=CC=C(NC2CC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603189	0	32	-1.0	-45.38	269.40	5.32	-40.06
CC1=CC=C(NC2CC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603189	1	32	-1.0	-45.32	269.50	5.32	-40.00
CCCCNC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004603190	0	33	-1.0	-49.77	296.98	3.92	-45.85
CCCCNC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004603190	1	33	-1.0	-49.83	296.89	3.93	-45.90
O=C(CCCC(=O)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004603191	0	31	-1.0	-55.39	275.27	5.89	-49.50
O=C(CCCC(=O)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004603191	1	31	-1.0	-55.47	275.18	5.90	-49.57
O=C(NC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL250004603192	0	26	-1.0	-51.66	243.03	3.21	-48.45
O=C(NC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2NC1=O	REAL250004603192	1	26	-1.0	-51.60	243.12	3.20	-48.40
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL250004603193	0	33	-1.0	-44.32	281.53	1.14	-43.18
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)O1	REAL250004603193	1	33	-1.0	-44.18	281.63	1.12	-43.06
O=C(NC1=NN=N[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004603194	0	28	-1.0	-59.83	262.04	-1.84	-61.67
O=C(NC1=N[N-]N=N1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004603194	1	28	-1.0	-59.76	262.14	-1.87	-61.63
O=C(NC1=N[N-]N=N1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004603195	0	30	-1.0	-43.21	260.62	6.18	-37.03
O=C(NC1=NN=N[N-]1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004603195	1	30	-1.0	-43.26	260.52	6.21	-37.05
O=C(NC1=NN=N[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004603196	0	36	-1.0	-45.41	296.40	6.02	-39.39
O=C(NC1=N[N-]N=N1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004603196	1	36	-1.0	-45.37	296.50	6.01	-39.36
CC1=CC=NC(OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=C1	REAL250004603197	0	33	-1.0	-46.39	295.49	4.86	-41.53
CC1=CC=NC(OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=C1	REAL250004603197	1	33	-1.0	-46.31	295.59	4.85	-41.46
O=C(NC1=NN=N[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL250004603198	0	23	-1.0	-52.78	236.43	1.35	-51.43
O=C(NC1=N[N-]N=N1)C1=CSC(C2=NC=CN2)=N1	REAL250004603198	1	23	-1.0	-52.71	236.53	1.35	-51.36
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NC1=N[N-]N=N1	REAL250004603199	0	38	-1.0	-54.35	305.47	4.80	-49.55
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NC1=NN=N[N-]1	REAL250004603199	1	38	-1.0	-54.43	305.38	4.81	-49.62
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603200	0	37	-1.0	-48.02	311.33	1.40	-46.62
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603200	1	37	-1.0	-48.10	311.24	1.42	-46.68
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC=C1C(F)(F)F	REAL250004603201	0	27	-1.0	-43.02	247.19	3.36	-39.66
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC=C1C(F)(F)F	REAL250004603201	1	27	-1.0	-43.10	247.08	3.37	-39.73
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603202	0	35	-1.0	-39.26	297.96	6.88	-32.38
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603202	1	35	-1.0	-39.30	297.86	6.89	-32.41
O=C(C=CC1=CC=C2OCOC2=C1)NC1=N[N-]N=N1	REAL250004603203	0	27	-1.0	-46.85	248.08	3.65	-43.20
O=C(C=CC1=CC=C2OCOC2=C1)NC1=NN=N[N-]1	REAL250004603203	1	27	-1.0	-46.95	247.97	3.66	-43.29
COC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)C=C1	REAL250004603204	0	30	-1.0	-42.80	275.47	4.13	-38.67
COC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)C=C1	REAL250004603204	1	30	-1.0	-42.75	275.57	4.12	-38.63
CCC1=CC=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)C=C1	REAL250004603205	0	32	-1.0	-41.91	288.92	6.27	-35.64
CCC1=CC=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)C=C1	REAL250004603205	1	32	-1.0	-41.85	289.02	6.27	-35.58
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004603206	0	32	-1.0	-43.80	281.92	6.39	-37.41
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004603206	1	32	-1.0	-43.88	281.83	6.41	-37.47
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004603207	0	29	-1.0	-47.53	252.16	5.42	-42.11
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004603207	1	29	-1.0	-47.61	252.06	5.44	-42.17
COC(=O)C1=NN(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603208	0	26	-1.0	-55.73	248.40	2.59	-53.14
COC(=O)C1=NN(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603208	1	26	-1.0	-55.79	248.30	2.59	-53.20
COC(=O)C1=NN(CCCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603209	0	32	-1.0	-56.99	291.90	3.96	-53.03
COC(=O)C1=NN(CCCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603209	1	32	-1.0	-56.95	292.00	3.95	-53.00
CCCCC1=NC(C)=C(CC(=O)NC2=N[N-]N=N2)S1	REAL250004603210	0	34	-1.0	-45.94	302.10	5.26	-40.68
CCCCC1=NC(C)=C(CC(=O)NC2=NN=N[N-]2)S1	REAL250004603210	1	34	-1.0	-46.02	302.01	5.27	-40.75
CC1=C(CC(=O)NC2=N[N-]N=N2)SC(C2CCC2)=N1	REAL250004603211	0	32	-1.0	-46.25	286.25	5.11	-41.14
CC1=C(CC(=O)NC2=NN=N[N-]2)SC(C2CCC2)=N1	REAL250004603211	1	32	-1.0	-46.35	286.16	5.13	-41.22
NC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603212	0	25	-1.0	-39.82	236.21	3.03	-36.79
NC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603212	1	25	-1.0	-39.79	236.30	3.02	-36.77
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(N)=C1	REAL250004603213	0	28	-1.0	-49.22	258.37	-0.44	-49.66
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(N)=C1	REAL250004603213	1	28	-1.0	-49.30	258.54	-0.45	-49.75
C=CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603214	0	28	-1.0	-51.84	255.81	3.24	-48.60
C=CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603214	1	28	-1.0	-49.57	255.89	3.24	-46.33
NC1=CC(Br)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603215	0	22	-1.0	-40.30	219.04	2.64	-37.66
NC1=CC(Br)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603215	1	22	-1.0	-40.23	219.13	2.64	-37.59
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)C=C1O	REAL250004603216	0	29	-1.0	-46.30	256.93	5.06	-41.24
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)C=C1O	REAL250004603216	1	29	-1.0	-46.24	257.04	5.07	-41.17
CCS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(N)=C1	REAL250004603217	0	31	-1.0	-48.01	279.84	0.45	-47.56
CCS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(N)=C1	REAL250004603217	1	31	-1.0	-48.07	280.00	0.45	-47.62
COC(=O)CCC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603218	0	32	-1.0	-49.44	277.57	6.03	-43.41
COC(=O)CCC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603218	1	32	-1.0	-49.32	277.67	6.01	-43.31
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004603219	0	31	-1.0	-50.22	270.72	3.26	-46.96
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004603219	1	31	-1.0	-50.20	270.81	3.24	-46.96
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004603220	0	30	-1.0	-51.81	244.70	1.04	-50.77
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004603220	1	30	-1.0	-51.88	244.61	1.06	-50.82
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004603221	0	25	-1.0	-52.17	233.16	2.11	-50.06
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004603221	1	25	-1.0	-52.10	233.25	2.09	-50.01
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=N[N-]N=N1	REAL250004603222	0	34	-1.0	-45.58	292.96	6.03	-39.55
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=NN=N[N-]1	REAL250004603222	1	34	-1.0	-45.62	292.86	6.04	-39.58
C=CCCCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004603223	0	36	-1.0	-44.29	305.65	7.76	-36.53
C=CCCCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004603223	1	36	-1.0	-44.36	305.56	7.77	-36.59
CC1(C(=O)NC2=NN=N[N-]2)OCCC2=CC=CC=C21	REAL250004603224	0	31	-1.0	-44.11	257.03	4.37	-39.74
CC1(C(=O)NC2=N[N-]N=N2)OCCC2=CC=CC=C21	REAL250004603224	1	31	-1.0	-44.05	257.13	4.37	-39.68
CC1=CC=C(OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)N=C1	REAL250004603225	0	33	-1.0	-46.46	295.44	4.85	-41.61
CC1=CC=C(OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)N=C1	REAL250004603225	1	33	-1.0	-46.41	295.54	4.83	-41.58
CC(=O)N(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004603226	0	30	-1.0	-48.83	258.56	4.42	-44.41
CC(=O)N(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004603226	1	30	-1.0	-48.99	258.47	4.43	-44.56
CCNC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004603227	0	27	-1.0	-42.70	255.07	3.36	-39.34
CCNC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004603227	1	27	-1.0	-42.63	255.17	3.35	-39.28
O=C(NC1=N[N-]N=N1)C1=NNC=C1Br	REAL250004603228	0	17	-1.0	-46.89	189.54	0.87	-46.02
O=C(NC1=NN=N[N-]1)C1=NNC=C1Br	REAL250004603228	1	17	-1.0	-46.94	189.44	0.87	-46.07
CC1=C(C(=O)NC2=NN=N[N-]2)C(=S)NC(=O)N1	REAL250004603229	0	23	-1.0	-54.59	232.39	0.52	-54.07
CC1=C(C(=O)NC2=N[N-]N=N2)C(=S)NC(=O)N1	REAL250004603229	1	23	-1.0	-54.49	232.49	0.52	-53.97
O=C(NC1=N[N-]N=N1)C1=C(Br)C(=O)NC=N1	REAL250004603230	1	19	-1.0	-50.99	205.40	1.27	-49.72
O=C(NC1=NN=N[N-]1)C1=C(Br)C(=O)NC=N1	REAL250004603230	1	19	-1.0	-51.08	205.31	1.29	-49.79
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004603231	0	28	-1.0	-52.47	256.09	4.14	-48.33
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004603231	1	28	-1.0	-52.40	256.19	4.14	-48.26
CN(C)C1(C(=O)NC2=N[N-]N=N2)COC2=CC=CC=C2C1	REAL250004603232	0	36	-1.0	-47.99	282.96	3.29	-44.70
CN(C)C1(C(=O)NC2=NN=N[N-]2)COC2=CC=CC=C2C1	REAL250004603232	1	36	-1.0	-48.08	282.86	3.30	-44.78
O=C(NC1=NN=N[N-]1)C1=NC=CC=C1NCC1CCC1	REAL250004603233	0	34	-1.0	-47.07	284.20	4.14	-42.93
O=C(NC1=N[N-]N=N1)C1=NC=CC=C1NCC1CCC1	REAL250004603233	1	34	-1.0	-46.94	284.30	4.14	-42.80
COCCNC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL250004603234	0	31	-1.0	-52.74	287.60	1.45	-51.29
COCCNC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL250004603234	1	31	-1.0	-52.82	287.51	1.46	-51.36
CC1=CC=C(Cl)C=C1OCC(=O)NC1=N[N-]N=N1	REAL250004603235	0	27	-1.0	-45.53	257.87	5.55	-39.98
CC1=CC=C(Cl)C=C1OCC(=O)NC1=NN=N[N-]1	REAL250004603235	1	27	-1.0	-45.57	257.77	5.56	-40.01
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603236	0	24	-1.0	-45.91	241.97	2.90	-43.01
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603236	1	24	-1.0	-45.98	241.87	2.91	-43.07
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL250004603237	0	30	-1.0	-46.95	279.13	6.84	-40.11
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL250004603237	1	30	-1.0	-47.01	279.03	6.86	-40.15
O=C(NC1=NN=N[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL250004603238	0	34	-1.0	-43.82	295.65	4.31	-39.51
O=C(NC1=N[N-]N=N1)C1=CSC(NC2CCCCC2)=N1	REAL250004603238	1	34	-1.0	-43.78	295.76	4.29	-39.49
O=C(CN1CCCCS1(=O)=O)NC1=N[N-]N=N1	REAL250004603239	0	28	-1.0	-59.24	249.69	0.18	-59.06
O=C(CN1CCCCS1(=O)=O)NC1=NN=N[N-]1	REAL250004603239	1	28	-1.0	-59.31	249.59	0.19	-59.12
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL250004603240	0	24	-1.0	-44.40	242.57	3.94	-40.46
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL250004603240	1	24	-1.0	-44.34	242.67	3.94	-40.40
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=NN=N[N-]1	REAL250004603241	0	28	-1.0	-46.76	246.81	4.94	-41.82
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=N[N-]N=N1	REAL250004603241	1	28	-1.0	-46.66	246.90	4.91	-41.75
O=C(NC1=N[N-]N=N1)C1CCOC2=C(F)C=CC=C21	REAL250004603242	0	28	-1.0	-44.63	246.59	4.39	-40.24
O=C(NC1=NN=N[N-]1)C1CCOC2=C(F)C=CC=C21	REAL250004603242	1	28	-1.0	-44.68	246.50	4.39	-40.29
CS(=O)(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004603243	0	32	-1.0	-62.76	265.98	1.22	-61.54
CS(=O)(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004603243	1	32	-1.0	-62.88	265.89	1.24	-61.64
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=N[N-]N=N1	REAL250004603244	0	30	-1.0	-51.35	278.80	4.71	-46.64
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=NN=N[N-]1	REAL250004603244	1	30	-1.0	-51.41	278.70	4.72	-46.69
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL250004603245	0	27	-1.0	-45.87	263.93	6.57	-39.30
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL250004603245	1	27	-1.0	-45.74	264.03	6.56	-39.18
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=N[N-]N=N1	REAL250004603246	0	35	-1.0	-45.64	285.48	7.15	-38.49
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=NN=N[N-]1	REAL250004603246	1	35	-1.0	-45.70	285.39	7.17	-38.53
CC(C)(C)OC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603247	0	33	-1.0	-47.98	267.77	4.95	-43.03
CC(C)(C)OC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603247	1	33	-1.0	-47.95	267.87	4.92	-43.03
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004603248	0	28	-1.0	-44.48	255.47	5.36	-39.12
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004603248	1	28	-1.0	-44.45	255.57	5.35	-39.10
CO[C@]12CCC[C@@]1(C(=O)NC1=N[N-]N=N1)CCO2	REAL250004603249	0	32	-1.0	-48.18	253.47	3.66	-44.52
CO[C@]12CCC[C@@]1(C(=O)NC1=NN=N[N-]1)CCO2	REAL250004603249	1	32	-1.0	-48.26	253.38	3.68	-44.58
O=C(NC1=N[N-]N=N1)C1(C2CCCCO2)CCOCC1	REAL250004603250	0	38	-1.0	-42.55	285.48	2.96	-39.59
O=C(NC1=NN=N[N-]1)C1(C2CCCCO2)CCOCC1	REAL250004603250	1	38	-1.0	-42.58	285.39	2.97	-39.61
CC1=CC=C2OCC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004603251	0	29	-1.0	-44.73	254.66	4.97	-39.76
CC1=CC=C2OCC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004603251	1	29	-1.0	-44.71	254.77	4.97	-39.74
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC1C(F)(F)F	REAL250004603252	0	27	-1.0	-44.43	244.12	0.92	-43.51
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL250004603252	1	27	-1.0	-44.51	244.02	0.94	-43.57
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004603253	0	32	-1.0	-47.55	280.66	4.20	-43.35
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004603253	1	32	-1.0	-47.67	280.56	4.20	-43.47
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=N[N-]N=N1	REAL250004603254	0	28	-1.0	-45.79	271.61	6.25	-39.54
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=NN=N[N-]1	REAL250004603254	1	28	-1.0	-45.97	270.88	6.24	-39.73
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)O1	REAL250004603255	0	33	-1.0	-51.45	285.93	4.34	-47.11
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)O1	REAL250004603255	1	33	-1.0	-51.53	285.84	4.36	-47.17
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=N[N-]N=N2)C1	REAL250004603256	0	33	-1.0	-49.19	284.44	3.25	-45.94
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=NN=N[N-]2)C1	REAL250004603256	1	33	-1.0	-49.29	284.35	3.27	-46.02
COC1=CC=C(OC)C(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004603257	0	32	-1.0	-48.79	279.83	3.63	-45.16
COC1=CC=C(OC)C(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004603257	1	32	-1.0	-48.81	279.73	3.63	-45.18
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603258	0	35	-1.0	-47.05	288.60	5.44	-41.61
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603258	1	35	-1.0	-47.07	288.51	5.45	-41.62
O=C(CC1=CC=CC2=NC=CC=C12)NC1=NN=N[N-]1	REAL250004603259	0	28	-1.0	-48.05	249.80	4.72	-43.33
O=C(CC1=CC=CC2=NC=CC=C12)NC1=N[N-]N=N1	REAL250004603259	1	28	-1.0	-48.00	249.89	4.70	-43.30
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=NN=N[N-]1	REAL250004603260	0	28	-1.0	-50.63	253.16	4.85	-45.78
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=N[N-]N=N1	REAL250004603260	1	28	-1.0	-50.58	253.26	4.83	-45.75
O=C(CC1=CSC(C2CCCC2)=N1)NC1=N[N-]N=N1	REAL250004603261	0	32	-1.0	-46.81	282.62	4.70	-42.11
O=C(CC1=CSC(C2CCCC2)=N1)NC1=NN=N[N-]1	REAL250004603261	1	32	-1.0	-46.89	282.53	4.72	-42.17
CC1(C)CCC2=C(C1)C(C(=O)NC1=N[N-]N=N1)=NO2	REAL250004603262	0	32	-1.0	-44.90	263.76	4.73	-40.17
CC1(C)CCC2=C(C1)C(C(=O)NC1=NN=N[N-]1)=NO2	REAL250004603262	1	32	-1.0	-44.97	263.66	4.75	-40.22
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL250004603263	0	27	-1.0	-43.22	258.47	3.50	-39.72
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL250004603263	1	27	-1.0	-43.25	258.38	3.52	-39.73
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL250004603264	0	23	-1.0	-36.61	234.57	4.69	-31.92
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL250004603264	1	23	-1.0	-36.65	234.48	4.71	-31.94
CCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004603265	0	23	-1.0	-43.36	231.72	2.87	-40.49
CCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004603265	1	23	-1.0	-43.31	231.82	2.85	-40.46
O=C(CC1=CSC(C2CC2)=N1)NC1=N[N-]N=N1	REAL250004603266	0	26	-1.0	-47.33	248.64	3.65	-43.68
O=C(CC1=CSC(C2CC2)=N1)NC1=NN=N[N-]1	REAL250004603266	1	26	-1.0	-47.44	248.54	3.66	-43.78
CC1=C(C(=O)NC2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL250004603267	0	34	-1.0	-49.46	293.23	7.73	-41.73
CC1=C(C(=O)NC2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL250004603267	1	34	-1.0	-49.40	293.34	7.72	-41.68
CC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004603268	0	23	-1.0	-46.77	234.88	3.61	-43.16
CC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004603268	1	23	-1.0	-46.68	234.98	3.60	-43.08
O=C(CCC1CCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004603269	0	33	-1.0	-46.55	275.84	7.03	-39.52
O=C(CCC1CCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004603269	1	33	-1.0	-46.60	275.75	7.04	-39.56
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL250004603270	0	22	-1.0	-44.35	223.91	3.09	-41.26
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=N1	REAL250004603270	1	22	-1.0	-44.30	224.01	3.09	-41.21
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603271	0	34	-1.0	-45.63	283.21	2.99	-42.64
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603271	1	34	-1.0	-45.70	283.11	3.01	-42.69
CC(C)(CC(=O)NC1=N[N-]N=N1)CC(F)(F)F	REAL250004603272	0	28	-1.0	-45.56	233.66	4.16	-41.40
CC(C)(CC(=O)NC1=NN=N[N-]1)CC(F)(F)F	REAL250004603272	1	28	-1.0	-45.62	233.57	4.17	-41.45
COC1=CC=C2CC(C(=O)NC3=N[N-]N=N3)CCC2=C1	REAL250004603273	0	34	-1.0	-44.16	281.09	5.45	-38.71
COC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)CCC2=C1	REAL250004603273	1	34	-1.0	-44.17	281.00	5.46	-38.71
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004603274	0	31	-1.0	-51.63	276.98	4.65	-46.98
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004603274	1	31	-1.0	-51.74	276.88	4.67	-47.07
CC1=NN2C=C(C(=O)NC3=NN=N[N-]3)N=C2S1	REAL250004603275	0	22	-1.0	-48.31	225.66	2.47	-45.84
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004603276	0	25	-1.0	-45.91	234.83	3.61	-42.30
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004603276	1	25	-1.0	-45.79	234.93	3.59	-42.20
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1=NC=CN1	REAL250004603277	0	27	-1.0	-59.01	244.52	4.76	-54.25
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1=NC=CN1	REAL250004603277	1	27	-1.0	-58.95	244.63	4.76	-54.19
CN1N=CC2=CC(CC(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004603278	0	29	-1.0	-48.76	261.50	4.46	-44.30
CN1N=CC2=CC(CC(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004603278	1	29	-1.0	-48.82	261.41	4.47	-44.35
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=CN=CC=C12	REAL250004603279	0	29	-1.0	-48.78	252.30	3.64	-45.14
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=CN=CC=C12	REAL250004603279	1	29	-1.0	-48.69	252.40	3.63	-45.06
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004603280	0	30	-1.0	-44.72	254.97	3.31	-41.41
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004603280	1	30	-1.0	-44.78	254.88	3.33	-41.45
CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004603281	0	25	-1.0	-39.70	241.84	3.86	-35.84
CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004603281	1	25	-1.0	-39.76	241.75	3.87	-35.89
COC1=CC=CN2N=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL250004603282	0	27	-1.0	-53.55	241.00	4.14	-49.41
COC1=CC=CN2N=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL250004603282	1	27	-1.0	-53.42	241.10	4.13	-49.29
CC1=CN2N=NC(C(=O)NC3=NN=N[N-]3)=C2C(=O)N1	REAL250004603283	0	25	-1.0	-56.37	234.91	1.05	-55.32
CC1=CN2N=NC(C(=O)NC3=N[N-]N=N3)=C2C(=O)N1	REAL250004603283	1	25	-1.0	-56.29	235.01	1.05	-55.24
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004603284	0	31	-1.0	-44.45	274.14	6.56	-37.89
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004603284	1	31	-1.0	-44.36	274.24	6.55	-37.81
CCOC(=O)N(C)CCCC(=O)NC1=N[N-]N=N1	REAL250004603286	0	33	-1.0	-51.57	287.04	3.54	-48.03
CCOC(=O)N(C)CCCC(=O)NC1=NN=N[N-]1	REAL250004603286	1	33	-1.0	-51.61	286.94	3.55	-48.06
O=C(CC1CCC2(CCC2)CO1)NC1=N[N-]N=N1	REAL250004603287	0	34	-1.0	-47.06	272.05	5.11	-41.95
O=C(CC1CCC2(CCC2)CO1)NC1=NN=N[N-]1	REAL250004603287	1	34	-1.0	-47.11	271.95	5.12	-41.99
O=C(CC1CCC2(CCOCC2)CO1)NC1=N[N-]N=N1	REAL250004603288	0	38	-1.0	-47.86	289.18	3.68	-44.18
O=C(CC1CCC2(CCOCC2)CO1)NC1=NN=N[N-]1	REAL250004603288	1	38	-1.0	-47.92	289.09	3.69	-44.23
COC1=CC=C(CCCC(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004603289	0	37	-1.0	-50.11	313.79	5.26	-44.85
COC1=CC=C(CCCC(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004603289	1	37	-1.0	-50.17	313.70	5.27	-44.90
O=C(NC1=N[N-]N=N1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004603290	0	27	-1.0	-42.70	250.11	5.88	-36.82
O=C(NC1=NN=N[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004603290	1	27	-1.0	-42.79	250.02	5.90	-36.89
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL250004603291	0	22	-1.0	-41.54	229.94	3.48	-38.06
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL250004603291	1	22	-1.0	-41.49	230.03	3.48	-38.01
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1C(=O)N=CN2	REAL250004603292	0	25	-1.0	-77.61	231.63	3.38	-74.23
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1C(=O)N=CN2	REAL250004603292	1	25	-1.0	-77.54	231.73	3.37	-74.17
O=C(NC1=NN=N[N-]1)C1=CNC2=CC(=O)C=CC2=C1	REAL250004603294	0	26	-1.0	-51.21	238.55	3.62	-47.59
O=C(NC1=N[N-]N=N1)C1=CNC2=CC(=O)C=CC2=C1	REAL250004603294	1	26	-1.0	-51.13	238.64	3.60	-47.53
CS(=O)(=O)CC1(C(=O)NC2=N[N-]N=N2)COC1	REAL250004603295	0	27	-1.0	-59.86	243.32	-0.58	-60.44
CS(=O)(=O)CC1(C(=O)NC2=NN=N[N-]2)COC1	REAL250004603295	1	27	-1.0	-59.93	243.23	-0.57	-60.50
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL250004603296	0	31	-1.0	-52.61	271.30	5.37	-47.24
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL250004603296	1	31	-1.0	-52.68	271.20	5.38	-47.30
O=CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL250004603297	0	32	-1.0	-50.28	284.67	6.95	-43.33
O=CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL250004603297	1	32	-1.0	-50.21	284.77	6.94	-43.27
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL250004603298	0	27	-1.0	-46.12	261.60	5.10	-41.02
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL250004603298	1	27	-1.0	-46.02	261.70	5.10	-40.92
O=C(NC1=N[N-]N=N1)C1=NN2CCCC2=C1Br	REAL250004603299	0	24	-1.0	-49.53	236.16	3.03	-46.50
O=C(NC1=NN=N[N-]1)C1=NN2CCCC2=C1Br	REAL250004603299	1	24	-1.0	-49.56	236.06	3.03	-46.53
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=N[N-]N=N1	REAL250004603300	0	26	-1.0	-58.19	251.21	4.14	-54.05
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=NN=N[N-]1	REAL250004603300	1	26	-1.0	-58.21	251.12	4.16	-54.05
COC(=O)C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004603301	0	22	-1.0	-47.63	231.94	1.61	-46.02
COC(=O)C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004603301	1	22	-1.0	-47.53	232.04	1.58	-45.95
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL250004603302	0	23	-1.0	-49.77	241.88	5.04	-44.73
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL250004603302	1	23	-1.0	-49.75	241.98	5.03	-44.72
CC1=C2OC=C(CC(=O)NC3=N[N-]N=N3)C2=CC=C1Cl	REAL250004603303	0	29	-1.0	-46.99	275.39	5.92	-41.07
CC1=C2OC=C(CC(=O)NC3=NN=N[N-]3)C2=CC=C1Cl	REAL250004603303	1	29	-1.0	-47.04	275.30	5.94	-41.10
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603304	0	30	-1.0	-44.63	271.04	5.24	-39.39
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603304	1	30	-1.0	-44.58	271.14	5.23	-39.35
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCCC2)O1	REAL250004603305	0	32	-1.0	-42.64	274.03	2.55	-40.09
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCCC2)O1	REAL250004603305	1	32	-1.0	-42.70	273.93	2.57	-40.13
O=C(CC1=NC(C2CCCC2)=CS1)NC1=N[N-]N=N1	REAL250004603308	0	32	-1.0	-46.54	280.75	4.67	-41.87
O=C(CC1=NC(C2CCCC2)=CS1)NC1=NN=N[N-]1	REAL250004603308	1	32	-1.0	-46.62	280.66	4.68	-41.94
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603309	0	29	-1.0	-42.38	262.30	3.33	-39.05
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603309	1	29	-1.0	-42.27	262.40	3.33	-38.94
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603310	0	29	-1.0	-41.88	262.43	3.36	-38.52
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603310	1	29	-1.0	-41.78	262.53	3.35	-38.43
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NC1=N[N-]N=N1	REAL250004603311	0	30	-1.0	-50.51	275.23	-0.15	-50.66
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NC1=NN=N[N-]1	REAL250004603311	1	30	-1.0	-50.56	275.13	-0.14	-50.70
COC1=CC2=CC=C(C=CC(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004603312	0	34	-1.0	-46.95	297.60	6.55	-40.40
COC1=CC2=CC=C(C=CC(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004603312	1	34	-1.0	-47.03	297.50	6.54	-40.49
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=N[N-]N=N1	REAL250004603313	0	35	-1.0	-46.67	299.76	5.32	-41.35
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=NN=N[N-]1	REAL250004603313	1	35	-1.0	-46.76	299.67	5.34	-41.42
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=N[N-]N=N1	REAL250004603314	0	33	-1.0	-55.32	280.49	2.43	-52.89
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=NN=N[N-]1	REAL250004603314	1	33	-1.0	-55.44	280.39	2.44	-53.00
O=C(NC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004603315	0	32	-1.0	-48.03	274.62	6.31	-41.72
O=C(NC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004603315	1	32	-1.0	-47.93	274.72	6.30	-41.63
CC1=CC=C([N+](=O)[O-])C(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004603316	0	28	-1.0	-57.78	252.44	5.62	-52.16
CC1=CC=C([N+](=O)[O-])C(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004603316	1	28	-1.0	-57.69	252.54	5.61	-52.08
CN1C=C(C(=O)NC2=NN=N[N-]2)C(Br)=N1	REAL250004603317	0	20	-1.0	-48.39	211.29	2.05	-46.34
CN1C=C(C(=O)NC2=N[N-]N=N2)C(Br)=N1	REAL250004603317	1	20	-1.0	-48.29	211.39	2.04	-46.25
C[C@H](C(=O)NC1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL250004603318	0	31	-1.0	-60.60	270.08	5.47	-55.13
C[C@H](C(=O)NC1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL250004603318	1	31	-1.0	-60.65	269.99	5.48	-55.17
O=C(NC1=NN=N[N-]1)C1=COC2=C1C(=O)NCCC2	REAL250004603319	0	28	-1.0	-60.23	245.89	1.67	-58.56
O=C(NC1=N[N-]N=N1)C1=COC2=C1C(=O)NCCC2	REAL250004603319	1	28	-1.0	-60.12	245.99	1.65	-58.47
CC1=NC(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2N1	REAL250004603320	0	28	-1.0	-50.52	254.71	2.05	-48.47
CC1=NC(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2N1	REAL250004603320	1	28	-1.0	-50.48	254.81	2.04	-48.44
C[C@H](NC(=O)CCC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004603321	0	36	-1.0	-44.16	310.66	4.50	-39.66
C[C@H](NC(=O)CCC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004603321	1	36	-1.0	-44.24	310.57	4.51	-39.73
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004603322	0	22	-1.0	-41.47	237.52	3.92	-37.55
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004603322	1	22	-1.0	-41.42	237.63	3.91	-37.51
N#CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=CC=C21	REAL250004603323	0	25	-1.0	-47.93	240.55	4.15	-43.78
N#CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=CC=C21	REAL250004603323	1	25	-1.0	-47.87	240.65	4.14	-43.73
NC1=C(Cl)C=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004603324	0	24	-1.0	-43.11	240.54	3.13	-39.98
NC1=C(Cl)C=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004603324	1	24	-1.0	-43.03	240.64	3.12	-39.91
CNC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004603325	0	25	-1.0	-47.71	234.73	3.13	-44.58
CNC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004603325	1	25	-1.0	-47.59	234.83	3.13	-44.46
O=C(CC1=COC2=C(F)C(F)=CC=C12)NC1=N[N-]N=N1	REAL250004603326	0	26	-1.0	-47.99	252.76	4.95	-43.04
O=C(CC1=COC2=C(F)C(F)=CC=C12)NC1=NN=N[N-]1	REAL250004603326	1	26	-1.0	-48.09	252.67	4.97	-43.12
CCSC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004603327	0	30	-1.0	-46.39	271.08	6.23	-40.16
CCSC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004603327	1	30	-1.0	-46.46	270.99	6.25	-40.21
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC(Br)=C1	REAL250004603328	0	24	-1.0	-42.27	241.56	3.08	-39.19
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC(Br)=C1	REAL250004603328	1	24	-1.0	-42.32	241.47	3.10	-39.22
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603329	0	37	-1.0	-54.30	304.90	2.65	-51.65
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603329	1	37	-1.0	-54.34	304.81	2.66	-51.68
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NC1=N[N-]N=N1	REAL250004603330	0	40	-1.0	-40.28	321.86	3.58	-36.70
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NC1=NN=N[N-]1	REAL250004603330	1	40	-1.0	-40.36	321.77	3.60	-36.76
O=C(CC1CCC2=C(C=CS2)C1=O)NC1=N[N-]N=N1	REAL250004603331	0	29	-1.0	-57.14	262.51	6.32	-50.82
O=C(CC1CCC2=C(C=CS2)C1=O)NC1=NN=N[N-]1	REAL250004603331	1	29	-1.0	-57.21	262.41	6.33	-50.88
CC(C)(C)OC(=O)NC1CC(CC(=O)NC2=N[N-]N=N2)C1	REAL250004603332	0	40	-1.0	-49.82	325.91	3.37	-46.45
CC(C)(C)OC(=O)NC1CC(CC(=O)NC2=NN=N[N-]2)C1	REAL250004603332	1	40	-1.0	-49.88	325.82	3.38	-46.50
COC1(C(=O)NC2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004603333	0	27	-1.0	-49.55	239.30	-1.50	-51.05
COC1(C(=O)NC2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004603333	1	27	-1.0	-49.63	239.20	-1.49	-51.12
CC(C)(C)OC(=O)NOCC(=O)NC1=N[N-]N=N1	REAL250004603334	0	31	-1.0	-53.38	271.07	1.92	-51.46
CC(C)(C)OC(=O)NOCC(=O)NC1=NN=N[N-]1	REAL250004603334	1	31	-1.0	-53.47	270.97	1.93	-51.54
CN(CCCCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004603335	0	42	-1.0	-48.76	341.56	5.42	-43.34
CN(CCCCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004603335	1	42	-1.0	-48.84	341.46	5.43	-43.41
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603336	0	38	-1.0	-52.97	302.77	2.79	-50.18
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603336	1	38	-1.0	-53.06	302.67	2.80	-50.26
CC12CC3CC(C1)CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL250004603337	0	37	-1.0	-44.65	272.50	6.22	-38.43
CC12CC3CC(C1)CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL250004603337	1	37	-1.0	-44.68	272.40	6.22	-38.46
O=C(NC1=N[N-]N=N1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL250004603338	0	33	-1.0	-51.83	282.64	4.66	-47.17
O=C(NC1=NN=N[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL250004603338	1	33	-1.0	-51.92	282.54	4.68	-47.24
COC1=CC=CC(C(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL250004603339	0	27	-1.0	-52.12	248.09	4.00	-48.12
COC1=CC=CC(C(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL250004603339	1	27	-1.0	-52.04	248.19	4.00	-48.04
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603340	0	37	-1.0	-54.63	301.47	4.14	-50.49
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603340	1	37	-1.0	-54.67	301.38	4.16	-50.51
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004603341	0	33	-1.0	-49.70	287.65	5.98	-43.72
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004603341	1	33	-1.0	-49.61	287.74	5.97	-43.64
COC1=CC=CC2=C(C(=O)NC3=NN=N[N-]3)C=NN21	REAL250004603342	0	27	-1.0	-52.34	244.20	2.32	-50.02
COC1=CC=CC2=C(C(=O)NC3=N[N-]N=N3)C=NN21	REAL250004603342	1	27	-1.0	-52.19	244.30	2.31	-49.88
COC(=O)C1=CC(C)=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004603343	0	26	-1.0	-40.54	246.43	3.31	-37.23
COC(=O)C1=CC(C)=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004603343	1	26	-1.0	-40.44	246.52	3.29	-37.15
CC1=CC=C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)C=C1	REAL250004603344	0	31	-1.0	-49.71	277.00	5.76	-43.95
CC1=CC=C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)C=C1	REAL250004603344	1	31	-1.0	-49.79	276.91	5.77	-44.02
CC1=CC=C(C)C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)=C1	REAL250004603345	0	34	-1.0	-49.11	292.39	6.61	-42.50
CC1=CC=C(C)C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)=C1	REAL250004603345	1	34	-1.0	-49.17	292.30	6.63	-42.54
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603346	0	34	-1.0	-47.69	266.46	5.69	-42.00
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603346	1	34	-1.0	-47.72	266.32	5.70	-42.02
CCC1=NC(C)=C(CC(=O)NC2=N[N-]N=N2)C(C)=N1	REAL250004603347	0	33	-1.0	-47.87	280.10	4.05	-43.82
CCC1=NC(C)=C(CC(=O)NC2=NN=N[N-]2)C(C)=N1	REAL250004603347	1	33	-1.0	-47.93	280.01	4.07	-43.86
CC(C)(C)N1CCCC(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004603348	0	36	-1.0	-49.67	277.81	4.21	-45.46
CC(C)(C)N1CCCC(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004603348	1	36	-1.0	-49.72	277.72	4.22	-45.50
O=C(CCCC1=CC=C(C2CC2)C=C1)NC1=N[N-]N=N1	REAL250004603349	0	36	-1.0	-46.30	304.26	8.16	-38.14
O=C(CCCC1=CC=C(C2CC2)C=C1)NC1=NN=N[N-]1	REAL250004603349	1	36	-1.0	-46.37	304.17	8.18	-38.19
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCOC2)NC1=O	REAL250004603350	0	28	-1.0	-55.29	243.53	1.01	-54.28
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCOC2)NC1=O	REAL250004603350	1	28	-1.0	-55.34	243.43	1.01	-54.33
COC1=CC(OC)=NC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603351	0	26	-1.0	-41.93	244.88	-1.68	-43.61
COC1=CC(OC)=NC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603351	1	26	-1.0	-41.87	244.97	-1.70	-43.57
O=C(NC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004603352	0	29	-1.0	-43.76	269.54	5.69	-38.07
O=C(NC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL250004603352	1	29	-1.0	-43.83	269.44	5.69	-38.14
COC1=CC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004603353	0	29	-1.0	-45.34	258.14	3.49	-41.85
COC1=CC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004603353	1	29	-1.0	-45.32	258.24	3.49	-41.83
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=N2)=NO1	REAL250004603354	0	27	-1.0	-49.94	251.69	3.36	-46.58
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC=N2)=NO1	REAL250004603354	1	27	-1.0	-49.89	251.78	3.34	-46.55
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CNC3=CC=CC=C23)=C1	REAL250004603355	0	31	-1.0	-47.29	284.27	3.94	-43.35
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CNC3=CC=CC=C23)=C1	REAL250004603355	1	31	-1.0	-47.19	284.37	3.93	-43.26
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603356	0	32	-1.0	-52.77	257.15	5.07	-47.70
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603356	1	32	-1.0	-52.85	257.06	5.09	-47.76
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004603357	0	39	-1.0	-42.61	304.26	4.27	-38.34
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004603357	1	39	-1.0	-42.65	304.17	4.28	-38.37
CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004603358	0	26	-1.0	-42.03	246.36	5.67	-36.36
CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004603358	1	26	-1.0	-42.00	246.46	5.66	-36.34
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL250004603359	0	29	-1.0	-46.40	273.84	5.56	-40.84
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC(F)=C2)=NO1	REAL250004603359	1	29	-1.0	-46.32	273.92	5.53	-40.79
COC1=CC=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=C1	REAL250004603360	0	27	-1.0	-41.73	251.25	3.86	-37.87
COC1=CC=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=C1	REAL250004603360	1	27	-1.0	-41.80	251.16	3.88	-37.92
O=C(NC1=NN=N[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL250004603361	0	26	-1.0	-61.52	248.25	4.16	-57.36
O=C(NC1=N[N-]N=N1)C1=CC=CN(CC(F)(F)F)C1=O	REAL250004603361	1	26	-1.0	-61.41	248.35	4.16	-57.25
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004603362	0	30	-1.0	-45.22	266.94	5.90	-39.32
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004603362	1	30	-1.0	-45.32	266.85	5.92	-39.40
O=C(CCN1SC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004603363	0	29	-1.0	-49.86	276.16	4.88	-44.98
O=C(CCN1SC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004603363	1	29	-1.0	-49.95	276.06	4.90	-45.05
NS(=O)(=O)C1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004603364	0	22	-1.0	-58.68	227.37	-1.06	-59.74
NS(=O)(=O)C1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004603364	1	22	-1.0	-58.62	227.47	-1.06	-59.68
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=N[N-]N=N1	REAL250004603365	0	28	-1.0	-44.49	274.39	6.32	-38.17
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=NN=N[N-]1	REAL250004603365	1	28	-1.0	-44.54	274.29	6.33	-38.21
CC1=CC=CN=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603366	0	33	-1.0	-46.76	294.12	4.89	-41.87
CC1=CC=CN=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603366	1	33	-1.0	-46.67	294.22	4.88	-41.79
O=C(NC1=N[N-]N=N1)C1CC2=CC(F)=CC=C2NC1=O	REAL250004603367	0	28	-1.0	-43.48	254.22	2.81	-40.67
O=C(NC1=NN=N[N-]1)C1CC2=CC(F)=CC=C2NC1=O	REAL250004603367	1	28	-1.0	-43.57	254.13	2.83	-40.74
O=C(NC1=N[N-]N=N1)C1CCOC2(CCCC2)C1	REAL250004603368	0	34	-1.0	-43.85	263.09	4.03	-39.82
O=C(NC1=NN=N[N-]1)C1CCOC2(CCCC2)C1	REAL250004603368	1	34	-1.0	-43.93	263.00	4.04	-39.89
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004603369	0	32	-1.0	-59.60	281.89	2.92	-56.68
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004603369	1	32	-1.0	-59.70	281.80	2.93	-56.77
CC1=CC=CC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004603370	0	33	-1.0	-47.78	282.98	7.90	-39.88
CC1=CC=CC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004603370	1	33	-1.0	-47.71	283.08	7.88	-39.83
CCNC1=NC(C)=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603371	0	27	-1.0	-44.22	249.99	2.31	-41.91
CCNC1=NC(C)=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603371	1	27	-1.0	-44.31	249.89	2.31	-42.00
CC1=C(C(=O)NC2=N[N-]N=N2)SC(NC2CC2)=N1	REAL250004603372	0	28	-1.0	-43.93	259.50	3.15	-40.78
CC1=C(C(=O)NC2=NN=N[N-]2)SC(NC2CC2)=N1	REAL250004603372	1	28	-1.0	-44.01	259.40	3.15	-40.86
C=CCNC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603373	0	25	-1.0	-44.26	246.34	2.37	-41.89
C=CCNC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603373	1	25	-1.0	-44.17	246.45	2.37	-41.80
COC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC=C1	REAL250004603374	0	28	-1.0	-46.40	250.74	3.04	-43.36
COC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC=C1	REAL250004603374	1	28	-1.0	-46.33	250.84	3.03	-43.30
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603375	0	42	-1.0	-40.82	327.99	4.05	-36.77
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603375	1	42	-1.0	-40.92	327.90	4.06	-36.86
CC1=CC=CC=C1C1=NOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004603376	0	31	-1.0	-49.48	270.97	5.95	-43.53
CC1=CC=CC=C1C1=NOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004603376	1	31	-1.0	-49.54	270.88	5.96	-43.58
CNC(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603377	0	29	-1.0	-59.99	258.36	1.38	-58.61
CNC(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603377	1	29	-1.0	-59.89	258.46	1.35	-58.54
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL250004603378	0	33	-1.0	-48.12	275.19	4.72	-43.40
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL250004603378	1	33	-1.0	-48.25	275.10	4.74	-43.51
CCOC(=O)N1CSCC1C(=O)NC1=N[N-]N=N1	REAL250004603379	0	29	-1.0	-49.76	265.66	3.38	-46.38
CCOC(=O)N1CSCC1C(=O)NC1=NN=N[N-]1	REAL250004603379	1	29	-1.0	-49.81	265.56	3.39	-46.42
CC1CCC(C(=O)CCC(=O)NC2=N[N-]N=N2)CC1	REAL250004603380	0	37	-1.0	-42.07	292.73	6.02	-36.05
CC1CCC(C(=O)CCC(=O)NC2=NN=N[N-]2)CC1	REAL250004603380	1	37	-1.0	-42.14	292.63	6.03	-36.11
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL250004603381	0	38	-1.0	-44.89	291.44	5.44	-39.45
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCCCC2)C=C1	REAL250004603381	1	38	-1.0	-44.87	291.54	5.43	-39.44
CC(SC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603382	0	27	-1.0	-43.47	255.72	5.46	-38.01
CC(SC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603382	1	27	-1.0	-43.57	255.62	5.48	-38.09
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004603383	0	33	-1.0	-44.59	285.75	7.50	-37.09
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004603383	1	33	-1.0	-44.65	285.66	7.51	-37.14
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250004603384	0	26	-1.0	-50.58	249.77	2.43	-48.15
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)O1	REAL250004603384	1	26	-1.0	-50.57	249.87	2.41	-48.16
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004603385	0	26	-1.0	-48.49	245.49	4.31	-44.18
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004603385	1	26	-1.0	-48.42	245.59	4.30	-44.12
CC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004603386	0	26	-1.0	-44.95	247.61	5.56	-39.39
CC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004603386	1	26	-1.0	-45.01	247.52	5.59	-39.42
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004603387	0	25	-1.0	-48.51	252.82	5.52	-42.99
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004603387	1	25	-1.0	-48.58	252.72	5.54	-43.04
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NC3=NN=N[N-]3)=C2)O1	REAL250004603388	1	30	-1.0	-49.76	279.58	3.84	-45.92
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NC3=N[N-]N=N3)=C2)O1	REAL250004603388	1	30	-1.0	-49.70	279.68	3.84	-45.86
O=C(NC1=NN=N[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL250004603389	0	22	-1.0	-40.67	236.04	3.56	-37.11
O=C(NC1=N[N-]N=N1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL250004603389	1	22	-1.0	-40.63	236.14	3.56	-37.07
CC1(CC(=O)NC2=N[N-]N=N2)CCS(=O)(=O)N1	REAL250004603390	0	28	-1.0	-55.05	243.36	-1.38	-56.43
CC1(CC(=O)NC2=NN=N[N-]2)CCS(=O)(=O)N1	REAL250004603390	1	28	-1.0	-55.12	243.27	-1.37	-56.49
O=C(NC1=NN=N[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004603391	0	25	-1.0	-42.43	240.29	4.69	-37.74
O=C(NC1=N[N-]N=N1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004603391	1	25	-1.0	-42.38	240.39	4.69	-37.69
O=C(NC1=NN=N[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004603392	0	29	-1.0	-53.33	255.70	1.04	-52.29
O=C(NC1=N[N-]N=N1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004603392	1	29	-1.0	-53.27	255.80	1.03	-52.24
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NC1=N[N-]N=N1	REAL250004603393	0	28	-1.0	-54.73	255.80	4.17	-50.56
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NC1=NN=N[N-]1	REAL250004603393	1	28	-1.0	-54.81	255.71	4.18	-50.63
COC1=CC=CC(CC(C)CC(=O)NC2=N[N-]N=N2)=C1	REAL250004603394	0	36	-1.0	-47.49	297.20	5.76	-41.73
COC1=CC=CC(CC(C)CC(=O)NC2=NN=N[N-]2)=C1	REAL250004603394	1	36	-1.0	-47.55	297.11	5.77	-41.78
O=C(CC1CCCC(C(F)(F)F)O1)NC1=N[N-]N=N1	REAL250004603395	0	30	-1.0	-49.88	258.48	4.23	-45.65
O=C(CC1CCCC(C(F)(F)F)O1)NC1=NN=N[N-]1	REAL250004603395	1	30	-1.0	-49.95	258.39	4.24	-45.71
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL250004603396	0	36	-1.0	-46.70	295.46	3.11	-43.59
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL250004603396	1	36	-1.0	-46.63	295.55	3.08	-43.55
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL250004603397	0	36	-1.0	-47.46	298.95	5.77	-41.69
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL250004603397	1	36	-1.0	-47.37	299.04	5.74	-41.63
O=C(NC1=N[N-]N=N1)C1CS(=O)(=O)CC(=O)N1	REAL250004603398	0	24	-1.0	-49.96	230.71	-3.55	-53.51
O=C(NC1=NN=N[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250004603398	1	24	-1.0	-50.00	230.62	-3.54	-53.54
O=C(NC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL250004603399	0	18	-1.0	-43.57	201.60	1.88	-41.69
O=C(NC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL250004603399	1	18	-1.0	-43.56	201.70	1.87	-41.69
COC(=O)C1=CC=CN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004603400	0	29	-1.0	-58.59	269.25	4.60	-53.99
COC(=O)C1=CC=CN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004603400	1	29	-1.0	-58.61	269.15	4.61	-54.00
O=C(NC1=N[N-]N=N1)C1CCCN(CC(F)(F)F)C1=O	REAL250004603401	0	30	-1.0	-53.20	264.03	3.63	-49.57
O=C(NC1=NN=N[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL250004603401	1	30	-1.0	-53.25	263.93	3.64	-49.61
O=CC1=CNC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004603402	0	26	-1.0	-50.26	242.49	3.61	-46.65
O=CC1=CNC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004603402	1	26	-1.0	-50.19	242.59	3.60	-46.59
COC(=O)C1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603403	0	26	-1.0	-45.04	248.58	4.54	-40.50
COC(=O)C1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603403	1	26	-1.0	-44.99	248.68	4.53	-40.46
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603404	0	33	-1.0	-50.19	294.97	6.99	-43.20
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603404	1	33	-1.0	-50.20	294.88	7.01	-43.19
O=C(NC1=N[N-]N=N1)C1CC2(C1)CS(=O)(=O)C2	REAL250004603406	0	27	-1.0	-50.50	246.54	0.52	-49.98
O=C(NC1=NN=N[N-]1)C1CC2(C1)CS(=O)(=O)C2	REAL250004603406	1	27	-1.0	-50.64	246.45	0.53	-50.11
NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603407	0	22	-1.0	-43.87	244.31	-2.69	-46.56
NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603407	1	22	-1.0	-43.82	244.41	-2.70	-46.52
O=C(NC1=NN=N[N-]1)C1=CN(C(F)(F)CO)N=N1	REAL250004603408	0	23	-1.0	-44.23	232.02	-2.17	-46.40
O=C(NC1=N[N-]N=N1)C1=CN(C(F)(F)CO)N=N1	REAL250004603408	1	23	-1.0	-44.17	232.12	-2.20	-46.37
COC1=NSC(OC)=C1C(=O)NC1=NN=N[N-]1	REAL250004603409	0	24	-1.0	-48.49	240.52	-1.00	-49.49
COC1=NSC(OC)=C1C(=O)NC1=N[N-]N=N1	REAL250004603409	1	24	-1.0	-48.51	240.62	-1.01	-49.52
O=C(NC1=N[N-]N=N1)C1(CCC2=CC=CC=C2)CC1	REAL250004603410	0	33	-1.0	-46.48	286.38	7.24	-39.24
O=C(NC1=NN=N[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250004603410	1	33	-1.0	-46.61	286.29	7.25	-39.36
CC1(C(=O)NC2=NN=N[N-]2)CCOC2=CC=CC=C21	REAL250004603411	0	31	-1.0	-43.85	250.96	4.71	-39.14
CC1(C(=O)NC2=N[N-]N=N2)CCOC2=CC=CC=C21	REAL250004603411	1	31	-1.0	-43.81	251.05	4.69	-39.12
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250004603412	0	31	-1.0	-44.42	261.55	4.69	-39.73
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCO1	REAL250004603412	1	31	-1.0	-44.37	261.65	4.67	-39.70
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2NC1=O	REAL250004603414	0	29	-1.0	-45.52	260.50	3.29	-42.23
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2NC1=O	REAL250004603414	1	29	-1.0	-45.38	260.59	3.29	-42.09
COC(=O)C1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004603415	0	23	-1.0	-54.75	231.88	4.21	-50.54
COC(=O)C1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004603415	1	23	-1.0	-54.68	231.98	4.20	-50.48
O=C(CC1=CC=CC2=NSN=C21)NC1=N[N-]N=N1	REAL250004603416	0	24	-1.0	-49.64	236.42	2.79	-46.85
O=C(CC1=CC=CC2=NSN=C21)NC1=NN=N[N-]1	REAL250004603416	1	24	-1.0	-49.73	236.33	2.81	-46.92
COC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)C(=O)C2	REAL250004603417	0	33	-1.0	-47.59	261.59	2.77	-44.82
COC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)C(=O)C2	REAL250004603417	1	33	-1.0	-47.67	261.49	2.79	-44.88
CC(O)(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004603418	0	27	-1.0	-41.49	241.49	2.06	-39.43
CC(O)(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004603418	1	27	-1.0	-41.55	241.40	2.07	-39.48
CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603419	0	26	-1.0	-45.89	248.67	-0.96	-46.85
CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603419	1	26	-1.0	-45.94	248.56	-0.95	-46.89
COC1=CC=C2NC=CC2=C1C(=O)NC1=NN=N[N-]1	REAL250004603420	0	28	-1.0	-56.75	251.56	3.00	-53.75
COC1=CC=C2NC=CC2=C1C(=O)NC1=N[N-]N=N1	REAL250004603420	1	28	-1.0	-56.72	251.66	2.98	-53.74
CN(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C=O	REAL250004603421	0	30	-1.0	-44.26	262.75	4.19	-40.07
CN(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C=O	REAL250004603421	1	30	-1.0	-44.16	262.85	4.17	-39.99
CN1CCN2N=CC(C(=O)NC3=NN=N[N-]3)=C2S1(=O)=O	REAL250004603422	0	29	-1.0	-60.60	266.70	-0.99	-61.59
CN1CCN2N=CC(C(=O)NC3=N[N-]N=N3)=C2S1(=O)=O	REAL250004603422	1	29	-1.0	-60.49	266.79	-1.01	-61.50
O=C(NC1=NN=N[N-]1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL250004603425	0	36	-1.0	-46.02	297.96	6.09	-39.93
O=C(NC1=N[N-]N=N1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL250004603425	1	36	-1.0	-45.91	298.08	6.07	-39.84
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603426	0	31	-1.0	-53.87	281.13	3.02	-50.85
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603426	1	31	-1.0	-53.92	281.04	3.05	-50.87
CN1C=C(N2CC(C(=O)NC3=NN=N[N-]3)CCC2=O)C=N1	REAL250004603427	0	34	-1.0	-47.15	284.99	3.12	-44.03
CN1C=C(N2CC(C(=O)NC3=N[N-]N=N3)CCC2=O)C=N1	REAL250004603427	1	34	-1.0	-47.04	285.08	3.10	-43.94
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004603428	0	28	-1.0	-46.69	267.11	2.55	-44.14
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004603428	1	28	-1.0	-46.77	267.01	2.56	-44.21
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004603429	0	27	-1.0	-46.93	257.42	3.31	-43.62
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004603429	1	27	-1.0	-46.81	257.52	3.31	-43.50
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004603430	0	31	-1.0	-48.28	265.91	3.46	-44.82
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004603430	1	31	-1.0	-48.36	265.81	3.47	-44.89
COC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004603431	0	28	-1.0	-50.24	259.49	2.12	-48.12
COC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004603431	1	28	-1.0	-50.31	259.39	2.14	-48.17
COC(=O)C1CCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004603432	0	33	-1.0	-50.85	285.03	4.06	-46.79
COC(=O)C1CCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004603432	1	33	-1.0	-50.90	284.93	4.07	-46.83
CC1=C(Br)OC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603433	0	20	-1.0	-40.00	214.13	3.19	-36.81
CC1=C(Br)OC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603433	1	20	-1.0	-39.93	214.23	3.17	-36.76
COC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004603434	0	31	-1.0	-46.54	270.33	2.71	-43.83
COC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004603434	1	31	-1.0	-46.44	270.43	2.70	-43.74
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL250004603435	0	34	-1.0	-47.65	298.81	5.18	-42.47
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL250004603435	1	34	-1.0	-47.60	298.91	5.17	-42.43
CNC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603436	0	29	-1.0	-52.93	258.54	1.32	-51.61
CNC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603436	1	29	-1.0	-52.88	258.63	1.32	-51.56
CC1=NN(CC(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603437	0	26	-1.0	-47.00	245.13	3.28	-43.72
CC1=NN(CC(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603437	1	26	-1.0	-47.07	245.04	3.30	-43.77
CC(C)CN1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004603438	0	32	-1.0	-61.17	267.43	5.11	-56.06
CC(C)CN1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004603438	1	32	-1.0	-61.10	267.53	5.12	-55.98
CCC(C)(C)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603439	0	35	-1.0	-44.58	264.88	6.55	-38.03
CCC(C)(C)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603439	1	35	-1.0	-44.52	264.98	6.54	-37.98
CC(C)(C)CC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603440	0	35	-1.0	-44.73	271.31	6.60	-38.13
CC(C)(C)CC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603440	1	35	-1.0	-44.63	271.40	6.60	-38.03
O=C(NC1=N[N-]N=N1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004603441	0	30	-1.0	-51.29	264.20	4.17	-47.12
O=C(NC1=NN=N[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004603441	1	30	-1.0	-51.35	264.11	4.19	-47.16
CC1(C(=O)NC2=N[N-]N=N2)CCC2(CC1)OCCO2	REAL250004603442	0	35	-1.0	-47.45	271.25	3.28	-44.17
CC1(C(=O)NC2=NN=N[N-]2)CCC2(CC1)OCCO2	REAL250004603442	1	35	-1.0	-47.50	271.16	3.29	-44.21
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NC3=NN=N[N-]3)=C2N1	REAL250004603443	0	32	-1.0	-45.70	279.26	3.14	-42.56
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NC3=N[N-]N=N3)=C2N1	REAL250004603443	1	32	-1.0	-45.61	279.36	3.13	-42.48
CCC1CCC2=C(C=C(C(=O)NC3=N[N-]N=N3)C(=O)N2)C1	REAL250004603444	0	36	-1.0	-55.05	292.05	4.69	-50.36
CCC1CCC2=C(C=C(C(=O)NC3=NN=N[N-]3)C(=O)N2)C1	REAL250004603444	1	36	-1.0	-55.11	291.95	4.69	-50.42
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603445	0	29	-1.0	-59.67	272.27	-0.60	-60.27
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603445	1	29	-1.0	-59.73	272.17	-0.60	-60.33
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)NC1=O	REAL250004603446	0	20	-1.0	-50.63	211.01	1.51	-49.12
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)NC1=O	REAL250004603446	1	20	-1.0	-50.72	210.91	1.51	-49.21
O=CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)S1	REAL250004603447	0	29	-1.0	-50.97	278.20	6.26	-44.71
O=CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)S1	REAL250004603447	1	29	-1.0	-50.90	278.37	6.27	-44.63
CC(C)(C)C1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004603448	0	36	-1.0	-43.03	297.08	6.05	-36.98
CC(C)(C)C1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004603448	1	36	-1.0	-42.93	297.18	6.04	-36.89
O=C(CC1=CNC2=CN=C(Cl)C=C12)NC1=N[N-]N=N1	REAL250004603449	0	26	-1.0	-50.70	255.64	3.20	-47.50
O=C(CC1=CNC2=CN=C(Cl)C=C12)NC1=NN=N[N-]1	REAL250004603449	1	26	-1.0	-50.78	255.55	3.21	-47.57
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004603450	0	26	-1.0	-44.37	246.02	4.90	-39.47
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004603450	1	26	-1.0	-44.29	246.12	4.89	-39.40
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004603451	0	24	-1.0	-50.22	227.62	3.16	-47.06
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004603451	1	24	-1.0	-50.31	227.53	3.18	-47.13
CC1=C(C)N2N=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004603452	0	29	-1.0	-50.46	253.96	4.72	-45.74
CC1=C(C)N2N=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004603452	1	29	-1.0	-50.39	254.07	4.71	-45.68
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004603453	0	29	-1.0	-47.78	259.23	5.53	-42.25
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004603453	1	29	-1.0	-47.71	259.33	5.52	-42.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004603454	0	28	-1.0	-56.33	244.21	5.14	-51.19
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004603454	1	28	-1.0	-56.29	244.31	5.14	-51.15
O=C(NC1=NN=N[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL250004603455	0	23	-1.0	-45.52	229.26	4.63	-40.89
O=C(NC1=N[N-]N=N1)C1=C2C=COC2=C(Cl)C=C1	REAL250004603455	1	23	-1.0	-45.47	229.36	4.63	-40.84
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC2=C1OCO2	REAL250004603456	0	23	-1.0	-50.01	223.84	2.40	-47.61
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC2=C1OCO2	REAL250004603456	1	23	-1.0	-49.92	223.94	2.39	-47.53
COC(=O)C1(C(=O)NC2=N[N-]N=N2)CC1C1=CC=CC=C1	REAL250004603457	0	33	-1.0	-43.13	281.89	6.41	-36.72
COC(=O)C1(C(=O)NC2=NN=N[N-]2)CC1C1=CC=CC=C1	REAL250004603457	1	33	-1.0	-43.19	281.80	6.43	-36.76
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004603458	0	26	-1.0	-45.24	251.28	5.48	-39.76
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004603458	1	26	-1.0	-45.18	251.37	5.47	-39.71
COCCCOC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004603460	0	37	-1.0	-48.03	308.50	4.65	-43.38
COCCCOC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004603460	1	37	-1.0	-47.94	308.59	4.65	-43.29
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NC1=N[N-]N=N1	REAL250004603461	0	42	-1.0	-44.79	326.72	3.48	-41.31
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NC1=NN=N[N-]1	REAL250004603461	1	42	-1.0	-44.91	326.62	3.49	-41.42
CC(C)(C)C1=NC=C(C=CC(=O)NC2=N[N-]N=N2)S1	REAL250004603462	0	32	-1.0	-45.09	288.50	4.77	-40.32
CC(C)(C)C1=NC=C(C=CC(=O)NC2=NN=N[N-]2)S1	REAL250004603462	1	32	-1.0	-45.15	288.39	4.77	-40.38
CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004603463	0	37	-1.0	-49.10	310.95	6.70	-42.40
CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004603463	1	37	-1.0	-49.19	310.85	6.70	-42.49
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NC1=N[N-]N=N1	REAL250004603464	0	38	-1.0	-46.27	316.72	7.20	-39.07
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NC1=NN=N[N-]1	REAL250004603464	1	38	-1.0	-46.32	316.63	7.21	-39.11
O=C(NC1=NN=N[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL250004603465	0	31	-1.0	-53.73	268.98	6.08	-47.65
O=C(NC1=N[N-]N=N1)C1=CNC=C1CC1=CC=CC=C1	REAL250004603465	1	31	-1.0	-53.63	269.08	6.08	-47.55
CCC1=CC=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603466	0	26	-1.0	-42.23	242.95	5.84	-36.39
CCC1=CC=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603466	1	26	-1.0	-42.19	243.04	5.83	-36.36
COC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603467	0	24	-1.0	-43.10	238.17	3.74	-39.36
COC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603467	1	24	-1.0	-43.04	238.27	3.71	-39.33
O=C(CC1=NN(CC(F)(F)F)C=C1)NC1=N[N-]N=N1	REAL250004603468	0	26	-1.0	-54.28	253.58	3.61	-50.67
O=C(CC1=NN(CC(F)(F)F)C=C1)NC1=NN=N[N-]1	REAL250004603468	1	26	-1.0	-54.36	253.49	3.62	-50.74
CC(C)CN1NC(CC(=O)NC2=N[N-]N=N2)=CC1=O	REAL250004603469	1	33	-1.0	-54.04	287.10	3.20	-50.84
CN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=CC1=O	REAL250004603470	0	23	-1.0	-46.27	229.04	3.22	-43.05
CN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=CC1=O	REAL250004603470	1	23	-1.0	-46.22	229.13	3.20	-43.02
CC1=C(OCC(=O)NC2=N[N-]N=N2)C(=O)C=CO1	REAL250004603471	0	26	-1.0	-55.11	243.33	3.65	-51.46
CC1=C(OCC(=O)NC2=NN=N[N-]2)C(=O)C=CO1	REAL250004603471	1	26	-1.0	-55.16	243.23	3.66	-51.50
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004603472	0	28	-1.0	-47.89	259.50	5.72	-42.17
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004603472	1	28	-1.0	-47.95	259.41	5.74	-42.21
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=N[N-]N=N1	REAL250004603473	0	28	-1.0	-50.69	270.07	6.21	-44.48
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=NN=N[N-]1	REAL250004603473	1	28	-1.0	-50.74	269.98	6.22	-44.52
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=N[N-]N=N1	REAL250004603474	0	26	-1.0	-49.37	260.81	3.44	-45.93
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=NN=N[N-]1	REAL250004603474	1	26	-1.0	-49.43	260.72	3.45	-45.98
CC(C)(C)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004603475	0	34	-1.0	-43.29	263.92	4.75	-38.54
CC(C)(C)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004603475	1	34	-1.0	-43.23	264.02	4.75	-38.48
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL250004603476	0	37	-1.0	-49.54	296.21	5.25	-44.29
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL250004603476	1	37	-1.0	-49.59	296.11	5.28	-44.31
CN(CCCC(=O)NC1=NN=N[N-]1)C(=O)C1=CC=NC=C1	REAL250004603477	0	35	-1.0	-54.26	300.90	3.71	-50.55
CN(CCCC(=O)NC1=N[N-]N=N1)C(=O)C1=CC=NC=C1	REAL250004603477	1	35	-1.0	-54.20	301.00	3.70	-50.50
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603478	0	33	-1.0	-46.38	276.35	7.70	-38.68
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603478	1	33	-1.0	-46.34	276.45	7.70	-38.64
CCC1=NOC(COCC(=O)NC2=N[N-]N=N2)=N1	REAL250004603479	0	28	-1.0	-53.61	259.68	1.03	-52.58
CCC1=NOC(COCC(=O)NC2=NN=N[N-]2)=N1	REAL250004603479	1	28	-1.0	-53.70	259.59	1.04	-52.66
O=C(CC1CCC(C(F)(F)F)O1)NC1=N[N-]N=N1	REAL250004603480	0	27	-1.0	-50.37	247.72	3.55	-46.82
O=C(CC1CCC(C(F)(F)F)O1)NC1=NN=N[N-]1	REAL250004603480	1	27	-1.0	-50.46	247.63	3.56	-46.90
COC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004603481	0	32	-1.0	-44.05	274.34	4.15	-39.90
COC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004603481	1	32	-1.0	-43.98	274.43	4.14	-39.84
CC1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603482	0	22	-1.0	-46.28	222.62	3.29	-42.99
CC1=CC=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603482	1	22	-1.0	-46.36	222.52	3.29	-43.07
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL250004603483	0	24	-1.0	-50.49	231.10	3.46	-47.03
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1F	REAL250004603483	1	24	-1.0	-50.40	231.20	3.46	-46.94
CC1=CC2=CC=C(C)C(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004603484	0	32	-1.0	-49.47	277.20	7.00	-42.47
CC1=CC2=CC=C(C)C(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004603484	1	32	-1.0	-49.58	276.58	6.97	-42.61
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC(F)(F)F)=C1	REAL250004603485	0	27	-1.0	-47.96	252.62	5.48	-42.48
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC(F)(F)F)=C1	REAL250004603485	1	27	-1.0	-47.89	252.72	5.47	-42.42
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603486	0	35	-1.0	-49.88	302.03	5.63	-44.25
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603486	1	35	-1.0	-49.83	302.12	5.63	-44.20
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=N[N-]N=N2)C1	REAL250004603487	0	31	-1.0	-54.02	278.65	3.63	-50.39
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=NN=N[N-]2)C1	REAL250004603487	1	31	-1.0	-54.08	278.56	3.65	-50.43
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004603488	0	26	-1.0	-47.06	244.35	3.80	-43.26
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004603488	1	26	-1.0	-46.99	244.45	3.80	-43.19
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004603489	0	27	-1.0	-48.82	255.01	3.30	-45.52
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004603489	1	27	-1.0	-48.79	255.11	3.28	-45.51
CN1C(=O)CCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004603490	0	31	-1.0	-49.59	264.08	4.72	-44.87
CN1C(=O)CCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004603490	1	31	-1.0	-49.48	264.18	4.69	-44.79
CC1=CC(C(=O)NC2=NN=N[N-]2)=CN=C1Br	REAL250004603491	0	22	-1.0	-40.70	222.05	3.08	-37.62
CC1=CC(C(=O)NC2=N[N-]N=N2)=CN=C1Br	REAL250004603491	1	22	-1.0	-40.59	222.15	3.08	-37.51
CC1=CC=C2CC(C)(C(=O)NC3=N[N-]N=N3)OC(=O)C2=C1	REAL250004603492	0	33	-1.0	-48.87	284.17	6.01	-42.86
CC1=CC=C2CC(C)(C(=O)NC3=NN=N[N-]3)OC(=O)C2=C1	REAL250004603492	1	33	-1.0	-48.96	284.08	6.03	-42.93
O=C(NC1=NN=N[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL250004603493	0	24	-1.0	-40.75	246.47	3.72	-37.03
O=C(NC1=N[N-]N=N1)C1(N2C=C(Br)C=N2)CC1	REAL250004603493	1	24	-1.0	-40.70	246.57	3.68	-37.02
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL250004603494	0	30	-1.0	-46.37	249.58	3.13	-43.24
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC2=C1CCCC2	REAL250004603494	1	30	-1.0	-46.33	249.68	3.12	-43.21
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004603495	0	37	-1.0	-49.70	297.67	1.27	-48.43
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004603495	1	37	-1.0	-49.73	297.58	1.28	-48.45
O=C(NC1=NN=N[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL250004603496	0	28	-1.0	-52.92	264.45	4.97	-47.95
O=C(NC1=N[N-]N=N1)C1=CC=CC(NC2=NC=CS2)=C1	REAL250004603496	1	28	-1.0	-52.86	264.54	4.95	-47.91
O=C(NC1=N[N-]N=N1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004603497	0	23	-1.0	-44.04	229.07	1.78	-42.26
O=C(NC1=NN=N[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004603497	1	23	-1.0	-44.11	228.97	1.78	-42.33
CCSC1=CNC(=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603498	0	27	-1.0	-56.59	251.15	2.86	-53.73
CCSC1=CNC(=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603498	1	27	-1.0	-56.50	251.25	2.85	-53.65
O=C(NC1=NN=N[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004603499	0	26	-1.0	-54.53	247.72	3.59	-50.94
O=C(NC1=N[N-]N=N1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004603499	1	26	-1.0	-54.46	247.82	3.59	-50.87
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1C(F)F	REAL250004603500	0	29	-1.0	-45.81	264.82	5.26	-40.55
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL250004603500	1	29	-1.0	-45.88	264.71	5.27	-40.61
O=C(CC1=CC=CC(C(F)(F)F)=N1)NC1=N[N-]N=N1	REAL250004603501	0	25	-1.0	-54.02	245.31	3.88	-50.14
O=C(CC1=CC=CC(C(F)(F)F)=N1)NC1=NN=N[N-]1	REAL250004603501	1	25	-1.0	-54.16	245.22	3.89	-50.27
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC=C1Br	REAL250004603502	0	20	-1.0	-46.07	208.94	1.33	-44.74
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC=C1Br	REAL250004603502	1	20	-1.0	-46.13	208.85	1.34	-44.79
CC1=C(C(=O)NC2=N[N-]N=N2)C(Br)=NN1	REAL250004603503	0	20	-1.0	-44.07	214.49	1.20	-42.87
CC1=C(C(=O)NC2=NN=N[N-]2)C(Br)=NN1	REAL250004603503	1	20	-1.0	-44.12	214.39	1.22	-42.90
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NC1=NN=N[N-]1	REAL250004603504	0	28	-1.0	-53.87	259.36	0.39	-53.48
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NC1=N[N-]N=N1	REAL250004603504	1	28	-1.0	-53.75	259.45	0.37	-53.38
CC1=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=CN=C1Cl	REAL250004603505	0	25	-1.0	-38.19	252.29	3.81	-34.38
CC1=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=CN=C1Cl	REAL250004603505	1	25	-1.0	-38.14	252.39	3.79	-34.35
CC1=NN(CC(=O)NC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004603506	0	28	-1.0	-54.47	257.69	3.85	-50.62
CC1=NN(CC(=O)NC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004603506	1	28	-1.0	-54.49	257.60	3.86	-50.63
CCCOC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL250004603507	0	36	-1.0	-44.81	303.88	7.09	-37.72
CCCOC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL250004603507	1	36	-1.0	-44.87	303.79	7.10	-37.77
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCCCC2)O1	REAL250004603508	0	35	-1.0	-43.52	290.43	3.56	-39.96
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL250004603508	1	35	-1.0	-43.59	290.32	3.58	-40.01
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NC1=NN=N[N-]1	REAL250004603509	0	28	-1.0	-52.28	259.38	0.40	-51.88
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NC1=N[N-]N=N1	REAL250004603509	1	28	-1.0	-52.21	259.47	0.38	-51.83
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603510	0	35	-1.0	-45.85	291.17	6.21	-39.64
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603510	1	35	-1.0	-45.83	291.08	6.23	-39.60
COC1=CC(CC(=O)NC2=N[N-]N=N2)=CC(OC)=C1	REAL250004603511	0	31	-1.0	-48.59	271.15	3.09	-45.50
COC1=CC(CC(=O)NC2=NN=N[N-]2)=CC(OC)=C1	REAL250004603511	1	31	-1.0	-48.68	271.06	3.10	-45.58
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004603512	0	29	-1.0	-48.29	261.46	5.71	-42.58
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250004603512	1	29	-1.0	-48.24	261.56	5.71	-42.53
O=C(CCCCCCCCC1CC1)NC1=N[N-]N=N1	REAL250004603513	0	41	-1.0	-43.92	334.24	8.51	-35.41
O=C(CCCCCCCCC1CC1)NC1=NN=N[N-]1	REAL250004603513	1	41	-1.0	-43.99	334.15	8.52	-35.47
CN1N=CC2=C1C=C(C(=O)NC1=NN=N[N-]1)C(=O)N2	REAL250004603516	0	26	-1.0	-50.49	239.48	0.80	-49.69
CN1N=CC2=C1C=C(C(=O)NC1=N[N-]N=N1)C(=O)N2	REAL250004603516	1	26	-1.0	-50.36	239.59	0.79	-49.57
COC1=C2C=CSC2=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603517	0	27	-1.0	-48.04	251.02	4.48	-43.56
COC1=C2C=CSC2=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603517	1	27	-1.0	-47.94	251.13	4.48	-43.46
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C1	REAL250004603518	0	35	-1.0	-44.91	282.07	4.80	-40.11
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C1	REAL250004603518	1	35	-1.0	-44.85	282.18	4.79	-40.06
CC(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004603519	0	26	-1.0	-43.78	240.89	5.15	-38.63
CC(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004603519	1	26	-1.0	-43.86	240.80	5.17	-38.69
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004603520	0	27	-1.0	-51.67	251.79	1.69	-49.98
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004603520	1	27	-1.0	-51.60	251.88	1.67	-49.93
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004603521	0	23	-1.0	-41.83	243.22	5.73	-36.10
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004603521	1	23	-1.0	-41.75	243.32	5.71	-36.04
O=C(NC1=NN=N[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250004603522	0	26	-1.0	-47.19	244.05	4.81	-42.38
O=C(NC1=N[N-]N=N1)C1=NOC=C1C1=CC=CC=C1	REAL250004603522	1	26	-1.0	-47.10	244.16	4.80	-42.30
COC1=CC=CC(N2C=CC(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL250004603523	0	31	-1.0	-51.62	278.27	4.26	-47.36
COC1=CC=CC(N2C=CC(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL250004603523	1	31	-1.0	-51.61	278.37	4.26	-47.35
COC(C(=O)NC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004603524	0	27	-1.0	-44.58	257.31	4.70	-39.88
COC(C(=O)NC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004603524	1	27	-1.0	-44.64	257.22	4.72	-39.92
CC1=C(Br)SC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603525	0	19	-1.0	-41.82	216.28	2.11	-39.71
CC1=C(Br)SC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603525	1	19	-1.0	-41.88	216.18	2.13	-39.75
COC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL250004603526	0	28	-1.0	-43.16	267.44	3.56	-39.60
COC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL250004603526	1	28	-1.0	-43.13	267.55	3.55	-39.58
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004603527	0	29	-1.0	-45.40	258.96	5.49	-39.91
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250004603527	1	29	-1.0	-45.32	259.06	5.49	-39.83
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCCO2)N=N1	REAL250004603528	0	30	-1.0	-47.45	266.90	1.23	-46.22
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCCO2)N=N1	REAL250004603528	1	30	-1.0	-47.40	267.00	1.22	-46.18
O=C(NC1=NN=N[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL250004603529	0	24	-1.0	-48.94	248.91	5.07	-43.87
O=C(NC1=N[N-]N=N1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL250004603529	1	24	-1.0	-48.90	249.01	5.07	-43.83
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(OC)=N1	REAL250004603530	0	27	-1.0	-47.19	244.53	0.51	-46.68
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(OC)=N1	REAL250004603530	1	27	-1.0	-47.13	244.63	0.50	-46.63
CCC(=O)NC1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603531	0	29	-1.0	-54.61	258.91	1.72	-52.89
CCC(=O)NC1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603531	1	29	-1.0	-54.53	259.01	1.72	-52.81
CCC[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603532	0	42	-1.0	-50.51	333.37	3.82	-46.69
CCC[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603532	1	42	-1.0	-50.61	333.28	3.83	-46.78
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC1=N[N-]N=N1	REAL250004603533	0	40	-1.0	-43.61	316.60	4.45	-39.16
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC1=NN=N[N-]1	REAL250004603533	1	40	-1.0	-43.65	316.52	4.46	-39.19
CCC[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603534	0	42	-1.0	-50.48	333.33	3.82	-46.66
CCC[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603534	1	42	-1.0	-50.59	333.24	3.83	-46.76
NC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004603535	0	22	-1.0	-47.22	221.24	2.34	-44.88
NC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004603535	1	22	-1.0	-47.12	221.34	2.34	-44.78
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004603536	0	30	-1.0	-48.51	272.75	2.22	-46.29
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004603536	1	30	-1.0	-48.61	272.65	2.22	-46.39
CCOC(=O)C1CC12CC(C(=O)NC1=N[N-]N=N1)C2	REAL250004603537	0	33	-1.0	-47.86	284.54	5.69	-42.17
CCOC(=O)C1CC12CC(C(=O)NC1=NN=N[N-]1)C2	REAL250004603537	1	33	-1.0	-47.93	284.46	5.70	-42.23
COC(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)N1	REAL250004603538	0	30	-1.0	-45.54	275.24	3.55	-41.99
COC(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)N1	REAL250004603538	1	30	-1.0	-45.59	275.15	3.57	-42.02
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004603539	0	22	-1.0	-38.01	233.51	3.21	-34.80
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)N=C1	REAL250004603539	1	22	-1.0	-37.95	233.61	3.19	-34.76
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603540	0	38	-1.0	-42.01	316.70	3.43	-38.58
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603540	1	38	-1.0	-42.08	316.61	3.45	-38.63
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NC1=N[N-]N=N1)C2	REAL250004603541	0	38	-1.0	-54.92	304.04	4.86	-50.06
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NC1=NN=N[N-]1)C2	REAL250004603541	1	38	-1.0	-54.94	303.94	4.87	-50.07
CCOC1(OCC)CC(C)(C(=O)NC2=N[N-]N=N2)C1	REAL250004603542	0	37	-1.0	-43.13	299.54	4.30	-38.83
CCOC1(OCC)CC(C)(C(=O)NC2=NN=N[N-]2)C1	REAL250004603542	1	37	-1.0	-43.18	299.45	4.30	-38.88
COC1=C(C(=O)NC2=NN=N[N-]2)SC(Cl)=C1Cl	REAL250004603543	0	21	-1.0	-41.27	242.41	4.23	-37.04
COC1=C(C(=O)NC2=N[N-]N=N2)SC(Cl)=C1Cl	REAL250004603543	1	21	-1.0	-41.18	242.52	4.22	-36.96
O=C(CC(C(F)F)N1C=CC=N1)NC1=NN=N[N-]1	REAL250004603544	0	26	-1.0	-41.15	238.29	3.09	-38.06
O=C(CC(C(F)F)N1C=CC=N1)NC1=N[N-]N=N1	REAL250004603544	1	26	-1.0	-41.07	238.38	3.07	-38.00
NC1=NC2=C(N=CN2CC(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004603545	0	27	-1.0	-59.77	254.49	2.66	-57.11
NC1=NC2=C(N=CN2CC(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004603545	1	27	-1.0	-59.86	254.39	2.67	-57.19
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004603546	0	34	-1.0	-45.53	280.51	5.01	-40.52
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004603546	1	34	-1.0	-45.59	280.42	5.02	-40.57
O=C(NC1=NN=N[N-]1)C1=CC(NCC2=CC=CC=C2)=CC=N1	REAL250004603547	0	34	-1.0	-46.67	301.25	4.70	-41.97
O=C(NC1=N[N-]N=N1)C1=CC(NCC2=CC=CC=C2)=CC=N1	REAL250004603547	1	34	-1.0	-46.63	301.35	4.69	-41.94
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603548	0	40	-1.0	-40.73	324.04	3.35	-37.38
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603548	1	40	-1.0	-40.84	323.95	3.37	-37.47
CC(C)C1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603549	0	29	-1.0	-42.75	256.76	6.21	-36.54
CC(C)C1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603549	1	29	-1.0	-42.68	256.82	6.19	-36.49
CCC(C)(COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004603550	0	39	-1.0	-42.84	319.87	6.42	-36.42
CCC(C)(COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004603550	1	39	-1.0	-42.91	319.77	6.43	-36.48
CC1CN2N=C(C(=O)NC3=NN=N[N-]3)C=C2C(=O)N1	REAL250004603551	0	28	-1.0	-52.32	251.81	-0.10	-52.42
CC1CN2N=C(C(=O)NC3=N[N-]N=N3)C=C2C(=O)N1	REAL250004603551	1	28	-1.0	-52.28	251.92	-0.10	-52.38
CC1(C(=O)NC2=N[N-]N=N2)CC2CCC(C1)S2	REAL250004603552	0	31	-1.0	-48.08	242.24	5.05	-43.03
CC1(C(=O)NC2=NN=N[N-]2)CC2CCC(C1)S2	REAL250004603552	1	31	-1.0	-48.13	242.15	5.07	-43.06
CC1(C(=O)NC2=N[N-]N=N2)CC2CCC(C1)S2(=O)=O	REAL250004603553	0	33	-1.0	-57.54	260.18	1.41	-56.13
CC1(C(=O)NC2=NN=N[N-]2)CC2CCC(C1)S2(=O)=O	REAL250004603553	1	33	-1.0	-57.62	260.08	1.43	-56.19
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004603554	0	24	-1.0	-41.64	225.13	1.97	-39.67
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250004603554	1	24	-1.0	-41.69	225.04	1.99	-39.70
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004603555	0	25	-1.0	-47.54	243.34	1.46	-46.08
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004603555	1	25	-1.0	-47.45	243.43	1.44	-46.01
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004603556	0	26	-1.0	-39.39	256.77	4.19	-35.20
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004603556	1	26	-1.0	-39.30	256.86	4.17	-35.13
O=C(CC(C(F)F)N1C=CN=C1)NC1=N[N-]N=N1	REAL250004603557	0	26	-1.0	-45.46	240.21	4.57	-40.89
O=C(CC(C(F)F)N1C=CN=C1)NC1=NN=N[N-]1	REAL250004603557	1	26	-1.0	-45.59	240.12	4.58	-41.01
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CS2)=NO1	REAL250004603558	0	26	-1.0	-43.47	260.59	4.72	-38.75
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CS2)=NO1	REAL250004603558	1	26	-1.0	-43.41	260.69	4.70	-38.71
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC2=C1OCC2	REAL250004603559	0	29	-1.0	-44.88	251.76	2.59	-42.29
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL250004603559	1	29	-1.0	-44.91	251.66	2.61	-42.30
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL250004603560	0	25	-1.0	-51.15	232.10	4.67	-46.48
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CN=C12	REAL250004603560	1	25	-1.0	-51.06	232.20	4.67	-46.39
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250004603561	0	23	-1.0	-51.84	232.31	2.97	-48.87
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1	REAL250004603561	1	23	-1.0	-51.74	232.41	2.95	-48.79
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL250004603562	0	31	-1.0	-46.45	279.30	5.40	-41.05
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL250004603562	1	31	-1.0	-46.50	279.21	5.41	-41.09
O=C(NC1=NN=N[N-]1)C1=NC=C(Cl)C=C1Cl	REAL250004603563	0	19	-1.0	-41.71	213.92	3.08	-38.63
O=C(NC1=N[N-]N=N1)C1=NC=C(Cl)C=C1Cl	REAL250004603563	1	19	-1.0	-41.64	214.02	3.08	-38.56
O=C(NC1=N[N-]N=N1)C1COC2=CC(Cl)=CC=C2C1	REAL250004603564	0	28	-1.0	-40.50	258.77	4.85	-35.65
O=C(NC1=NN=N[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL250004603564	1	28	-1.0	-40.57	258.67	4.86	-35.71
CN1C=C(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)C=N1	REAL250004603565	0	28	-1.0	-51.87	260.11	2.95	-48.92
CN1C=C(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)C=N1	REAL250004603565	1	28	-1.0	-51.79	260.20	2.93	-48.86
COC1=CC=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=N1	REAL250004603566	0	26	-1.0	-39.07	248.83	1.25	-37.82
COC1=CC=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=N1	REAL250004603566	1	26	-1.0	-39.01	248.92	1.24	-37.77
O=C(NC1=N[N-]N=N1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL250004603567	0	27	-1.0	-45.19	239.70	5.14	-40.05
O=C(NC1=NN=N[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL250004603567	1	27	-1.0	-45.25	239.61	5.16	-40.09
O=C(NC1=NN=N[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004603568	0	26	-1.0	-59.59	245.04	-2.74	-62.33
O=C(NC1=N[N-]N=N1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004603568	1	26	-1.0	-59.54	245.14	-2.76	-62.30
CC1=NC2=C(CCCC2CC(=O)NC2=N[N-]N=N2)O1	REAL250004603569	0	32	-1.0	-53.12	266.37	3.25	-49.87
CC1=NC2=C(CCCC2CC(=O)NC2=NN=N[N-]2)O1	REAL250004603569	1	32	-1.0	-53.17	266.28	3.26	-49.91
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NC1=N[N-]N=N1	REAL250004603570	0	31	-1.0	-47.48	275.59	2.31	-45.17
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NC1=NN=N[N-]1	REAL250004603570	1	31	-1.0	-47.61	275.49	2.32	-45.29
CCCCCC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004603571	0	38	-1.0	-44.71	319.53	8.24	-36.47
CCCCCC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004603571	1	38	-1.0	-44.76	319.44	8.26	-36.50
O=C(NC1=N[N-]N=N1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004603572	0	28	-1.0	-40.51	254.59	4.47	-36.04
O=C(NC1=NN=N[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL250004603572	1	28	-1.0	-40.62	254.49	4.48	-36.14
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603573	0	35	-1.0	-51.50	297.69	5.69	-45.81
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603573	1	35	-1.0	-51.58	297.59	5.70	-45.88
CCCCC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603574	0	28	-1.0	-42.90	260.33	3.98	-38.92
CCCCC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603574	1	28	-1.0	-42.97	260.23	3.99	-38.98
CC(C)(C)OCC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603575	0	32	-1.0	-42.87	286.43	2.81	-40.06
CC(C)(C)OCC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603575	1	32	-1.0	-42.93	286.32	2.82	-40.11
CC1=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL250004603576	0	29	-1.0	-41.50	267.21	5.04	-36.46
CC1=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=CC=C1[N+](=O)[O-]	REAL250004603576	1	29	-1.0	-41.46	267.32	5.02	-36.44
CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004603577	0	26	-1.0	-49.79	233.16	5.36	-44.43
CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004603577	1	26	-1.0	-49.76	233.26	5.34	-44.42
O=C(NC1=N[N-]N=N1)[C@]12CCO[C@@H]1CCCCC2	REAL250004603578	0	34	-1.0	-48.26	238.46	3.20	-45.06
O=C(NC1=NN=N[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250004603578	1	34	-1.0	-48.34	238.36	3.20	-45.14
CN(C)C1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=CC=C1	REAL250004603579	0	31	-1.0	-46.10	280.81	4.70	-41.40
CN(C)C1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=CC=C1	REAL250004603579	1	31	-1.0	-46.02	280.92	4.69	-41.33
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004603580	0	33	-1.0	-47.19	267.59	5.44	-41.75
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004603580	1	33	-1.0	-47.15	267.68	5.43	-41.72
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004603581	0	27	-1.0	-48.36	251.99	5.91	-42.45
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004603581	1	27	-1.0	-48.39	251.90	5.92	-42.47
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004603582	0	23	-1.0	-44.11	227.18	0.98	-43.13
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004603582	1	23	-1.0	-44.04	227.28	0.98	-43.06
CCC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=CNC2=N1	REAL250004603583	0	28	-1.0	-67.41	250.24	3.56	-63.85
CCC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=CNC2=N1	REAL250004603583	1	28	-1.0	-67.36	250.33	3.55	-63.81
O=C(NC1=NN=N[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004603584	0	32	-1.0	-67.84	281.12	5.17	-62.67
O=C(NC1=N[N-]N=N1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004603584	1	32	-1.0	-67.75	281.22	5.16	-62.59
O=C(NC1=N[N-]N=N1)C(O)C1CCCCCCC1	REAL250004603585	0	36	-1.0	-43.15	264.07	3.45	-39.70
O=C(NC1=NN=N[N-]1)C(O)C1CCCCCCC1	REAL250004603585	1	36	-1.0	-43.21	263.97	3.47	-39.74
NS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)O1	REAL250004603586	0	22	-1.0	-46.51	242.38	-2.63	-49.14
NS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)O1	REAL250004603586	1	22	-1.0	-46.40	242.48	-2.64	-49.04
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2CCCCC2=N1	REAL250004603587	0	32	-1.0	-42.77	261.43	5.12	-37.65
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2CCCCC2=N1	REAL250004603587	1	32	-1.0	-42.71	261.53	5.09	-37.62
CC[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603588	0	39	-1.0	-50.60	311.88	3.06	-47.54
CC[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603588	1	39	-1.0	-50.68	311.78	3.07	-47.61
CC[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603589	0	39	-1.0	-50.61	311.83	3.07	-47.54
CC[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603589	1	39	-1.0	-50.71	311.74	3.08	-47.63
O=C(NC1=N[N-]N=N1)C1CCN(CC2=CC=CC=C2)C1=O	REAL250004603590	0	34	-1.0	-50.31	294.77	5.53	-44.78
O=C(NC1=NN=N[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL250004603590	1	34	-1.0	-50.43	294.69	5.54	-44.89
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL250004603591	0	27	-1.0	-46.84	258.54	5.02	-41.82
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL250004603591	1	27	-1.0	-46.79	258.64	5.01	-41.78
O=C(NC1=N[N-]N=N1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004603592	0	24	-1.0	-49.94	230.66	-3.54	-53.48
O=C(NC1=NN=N[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004603592	1	24	-1.0	-50.05	230.57	-3.52	-53.57
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004603593	0	34	-1.0	-45.05	290.56	3.28	-41.77
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004603593	1	34	-1.0	-45.03	290.66	3.26	-41.77
O=C(NC1=N[N-]N=N1)C1CCC(O)(C2=CC=CC=C2)C1	REAL250004603594	0	34	-1.0	-45.32	280.18	3.66	-41.66
O=C(NC1=NN=N[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL250004603594	1	34	-1.0	-45.37	280.09	3.68	-41.69
CN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004603595	0	31	-1.0	-45.26	268.95	2.41	-42.85
CN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004603595	1	31	-1.0	-45.18	269.05	2.40	-42.78
CC1=C([C@@H]2OCC[C@H]2C(=O)NC2=N[N-]N=N2)C=NN1C	REAL250004603596	0	34	-1.0	-43.98	285.41	2.85	-41.13
CC1=C([C@@H]2OCC[C@H]2C(=O)NC2=NN=N[N-]2)C=NN1C	REAL250004603596	1	34	-1.0	-44.05	285.32	2.87	-41.18
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603597	0	34	-1.0	-45.57	274.24	3.27	-42.30
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603597	1	34	-1.0	-45.64	274.15	3.28	-42.36
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL250004603598	0	30	-1.0	-47.25	272.38	4.89	-42.36
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL250004603598	1	30	-1.0	-47.20	272.49	4.88	-42.32
O=C(NC1=N[N-]N=N1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004603599	0	29	-1.0	-56.29	257.70	4.90	-51.39
O=C(NC1=NN=N[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004603599	1	29	-1.0	-56.36	257.60	4.91	-51.45
COC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004603600	0	30	-1.0	-44.44	274.18	2.82	-41.62
COC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004603600	1	30	-1.0	-44.38	274.28	2.79	-41.59
CC(C)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C(C)C)O1	REAL250004603601	0	35	-1.0	-43.52	294.72	6.25	-37.27
CC(C)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C(C)C)O1	REAL250004603601	1	35	-1.0	-43.51	294.82	6.23	-37.28
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004603602	0	28	-1.0	-49.77	255.78	3.36	-46.41
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004603602	1	28	-1.0	-49.83	255.69	3.37	-46.46
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004603603	0	27	-1.0	-46.26	252.63	3.24	-43.02
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004603603	1	27	-1.0	-46.20	252.73	3.24	-42.96
COC(=O)C1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)O2)N1	REAL250004603604	0	27	-1.0	-42.37	259.71	2.49	-39.88
COC(=O)C1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)O2)N1	REAL250004603604	1	27	-1.0	-42.30	259.81	2.48	-39.82
O=C(NC1=N[N-]N=N1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004603605	0	29	-1.0	-52.16	268.28	6.49	-45.67
O=C(NC1=NN=N[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004603605	1	29	-1.0	-52.24	268.18	6.51	-45.73
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250004603606	0	23	-1.0	-45.16	226.57	4.77	-40.39
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL250004603606	1	23	-1.0	-45.04	226.67	4.74	-40.30
CS(=O)(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603607	0	32	-1.0	-50.92	294.24	2.81	-48.11
CS(=O)(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603607	1	32	-1.0	-51.00	294.15	2.82	-48.18
CC(C)CC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603608	0	28	-1.0	-43.09	255.58	3.67	-39.42
CC(C)CC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603608	1	28	-1.0	-43.17	255.48	3.68	-39.49
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603609	0	35	-1.0	-53.63	283.57	5.44	-48.19
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603609	1	35	-1.0	-53.70	283.48	5.46	-48.24
O=C(NC1=NN=N[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL250004603610	0	28	-1.0	-49.31	247.65	3.58	-45.73
O=C(NC1=N[N-]N=N1)C1=CN=C2CCCC(=O)C2=C1	REAL250004603610	1	28	-1.0	-49.20	247.75	3.58	-45.62
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1S(N)(=O)=O	REAL250004603611	0	25	-1.0	-50.50	236.71	-2.33	-52.83
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1S(N)(=O)=O	REAL250004603611	1	25	-1.0	-50.47	236.81	-2.34	-52.81
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250004603612	0	23	-1.0	-41.82	226.57	4.76	-37.06
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)F)C(F)=C1	REAL250004603612	1	23	-1.0	-41.74	226.67	4.74	-37.00
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=C1	REAL250004603613	0	33	-1.0	-44.65	283.53	6.82	-37.83
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=C1	REAL250004603613	1	33	-1.0	-44.54	283.62	6.78	-37.76
CC(C)(C)CC1=NC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603614	0	31	-1.0	-43.15	272.27	4.25	-38.90
CC(C)(C)CC1=NC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603614	1	31	-1.0	-43.24	272.17	4.26	-38.98
COC(=O)C1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603615	0	29	-1.0	-46.58	258.21	5.14	-41.44
COC(=O)C1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603615	1	29	-1.0	-46.52	258.31	5.13	-41.39
COC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004603616	0	34	-1.0	-42.70	258.39	3.58	-39.12
COC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004603616	1	34	-1.0	-42.75	258.30	3.59	-39.16
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603617	0	37	-1.0	-45.15	305.91	4.06	-41.09
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603617	1	37	-1.0	-45.24	305.82	4.08	-41.16
O=C(NC1=NN=N[N-]1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL250004603618	0	26	-1.0	-55.32	249.10	4.06	-51.26
O=C(NC1=N[N-]N=N1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL250004603618	1	26	-1.0	-55.20	249.21	4.04	-51.16
O=C(C=CC1=CC=C(Br)O1)NC1=N[N-]N=N1	REAL250004603619	0	21	-1.0	-43.02	226.35	3.92	-39.10
O=C(C=CC1=CC=C(Br)O1)NC1=NN=N[N-]1	REAL250004603619	1	21	-1.0	-43.12	226.24	3.92	-39.20
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL250004603620	0	32	-1.0	-46.55	277.26	5.03	-41.52
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL250004603620	1	32	-1.0	-46.48	277.36	5.04	-41.44
CSC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603621	0	30	-1.0	-43.97	273.76	6.30	-37.67
CSC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603621	1	30	-1.0	-44.04	273.67	6.32	-37.72
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1=N[N-]N=N1	REAL250004603622	0	25	-1.0	-48.61	239.61	4.76	-43.85
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1=NN=N[N-]1	REAL250004603622	1	25	-1.0	-48.67	239.52	4.77	-43.90
CP(C)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603623	0	29	-1.0	-50.65	267.40	3.38	-47.27
CP(C)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603623	1	29	-1.0	-50.60	267.50	3.37	-47.23
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004603624	0	25	-1.0	-49.62	244.14	-0.59	-50.21
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004603624	1	25	-1.0	-49.52	244.24	-0.59	-50.11
O=CC1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)S1	REAL250004603625	0	19	-1.0	-45.33	215.39	3.19	-42.14
O=CC1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)S1	REAL250004603625	1	19	-1.0	-45.25	215.49	3.17	-42.08
O=C(NC1=N[N-]N=N1)C1=NN2CCCCC(=O)C2=C1	REAL250004603626	0	29	-1.0	-48.82	256.00	3.04	-45.78
O=C(NC1=NN=N[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL250004603626	1	29	-1.0	-48.86	255.90	3.05	-45.81
O=C(NC1=NN=N[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL250004603627	0	28	-1.0	-45.29	260.77	7.11	-38.18
O=C(NC1=N[N-]N=N1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL250004603627	1	28	-1.0	-45.24	260.87	7.10	-38.14
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL250004603628	0	27	-1.0	-50.38	261.48	5.08	-45.30
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL250004603628	1	27	-1.0	-50.33	261.58	5.08	-45.25
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1CCCCC2	REAL250004603629	0	33	-1.0	-46.41	259.75	6.62	-39.79
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1CCCCC2	REAL250004603629	1	33	-1.0	-46.34	259.84	6.61	-39.73
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250004603630	0	28	-1.0	-49.08	247.14	6.93	-42.15
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=C1	REAL250004603630	1	28	-1.0	-48.99	247.24	6.90	-42.09
CCOC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004603631	0	33	-1.0	-55.87	287.28	6.10	-49.77
CCOC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004603631	1	33	-1.0	-55.83	287.38	6.09	-49.74
CC(C)(C(=O)NC1=N[N-]N=N1)C(F)C1=CC=CC=C1	REAL250004603632	0	32	-1.0	-45.72	266.04	6.11	-39.61
CC(C)(C(=O)NC1=NN=N[N-]1)C(F)C1=CC=CC=C1	REAL250004603632	1	32	-1.0	-45.75	265.95	6.12	-39.63
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603633	0	37	-1.0	-43.65	309.24	0.62	-43.03
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603633	1	37	-1.0	-43.70	309.15	0.63	-43.07
CC(C)CC1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004603634	0	29	-1.0	-43.88	261.06	5.65	-38.23
CC(C)CC1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004603634	1	29	-1.0	-43.79	261.17	5.64	-38.15
O=C(CCC1=CC=C2OCCCC2=C1)NC1=N[N-]N=N1	REAL250004603635	0	34	-1.0	-44.82	287.25	5.92	-38.90
O=C(CCC1=CC=C2OCCCC2=C1)NC1=NN=N[N-]1	REAL250004603635	1	34	-1.0	-44.87	287.16	5.93	-38.94
CC1=NN(C2=CC=CC=C2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603636	0	30	-1.0	-44.22	265.82	5.83	-38.39
CC1=NN(C2=CC=CC=C2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603636	1	30	-1.0	-44.14	265.92	5.82	-38.32
O=C(NC1=NN=N[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL250004603637	0	30	-1.0	-53.10	272.44	4.84	-48.26
O=C(NC1=N[N-]N=N1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL250004603637	1	30	-1.0	-52.98	272.54	4.83	-48.15
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603638	0	30	-1.0	-40.89	273.61	5.17	-35.72
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603638	1	30	-1.0	-40.82	273.71	5.16	-35.66
O=C(CC1=C(Br)SC=C1)NC1=N[N-]N=N1	REAL250004603639	0	20	-1.0	-44.08	222.08	4.09	-39.99
O=C(CC1=C(Br)SC=C1)NC1=NN=N[N-]1	REAL250004603639	1	20	-1.0	-44.14	221.99	4.11	-40.03
O=C(NC1=N[N-]N=N1)C(F)(F)C1(O)CCCCCC1	REAL250004603640	0	33	-1.0	-37.02	255.92	2.33	-34.69
O=C(NC1=NN=N[N-]1)C(F)(F)C1(O)CCCCCC1	REAL250004603640	1	33	-1.0	-37.10	255.83	2.34	-34.76
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004603641	0	29	-1.0	-48.39	255.86	5.51	-42.88
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004603641	1	29	-1.0	-48.31	255.96	5.49	-42.82
O=C(NC1=N[N-]N=N1)C1(O)CC(C2=CC=CC=C2)C1	REAL250004603642	0	31	-1.0	-43.87	263.81	3.20	-40.67
O=C(NC1=NN=N[N-]1)C1(O)CC(C2=CC=CC=C2)C1	REAL250004603642	1	31	-1.0	-43.92	263.72	3.23	-40.69
O=C(CCC1=C2C=CC=CC2=NN1)NC1=N[N-]N=N1	REAL250004603643	0	29	-1.0	-45.21	260.44	3.88	-41.33
O=C(CCC1=C2C=CC=CC2=NN1)NC1=NN=N[N-]1	REAL250004603643	1	29	-1.0	-45.34	260.34	3.89	-41.45
O=C(NC1=N[N-]N=N1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250004603644	0	19	-1.0	-38.43	212.67	2.41	-36.02
COC1=C(Cl)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603645	0	24	-1.0	-46.74	232.62	4.89	-41.85
COC1=C(Cl)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603645	1	24	-1.0	-46.65	232.73	4.88	-41.77
CC(C)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C(C)C)N1	REAL250004603646	0	36	-1.0	-47.28	296.28	5.41	-41.87
CC(C)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C(C)C)N1	REAL250004603646	1	36	-1.0	-47.23	296.38	5.39	-41.84
N#CC1=C2CCCCN2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603647	0	29	-1.0	-44.93	253.92	5.45	-39.48
N#CC1=C2CCCCN2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603647	1	29	-1.0	-44.82	254.02	5.44	-39.38
COC(=O)C1=C2CCCCN2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603648	0	34	-1.0	-45.44	286.85	5.63	-39.81
COC(=O)C1=C2CCCCN2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603648	1	34	-1.0	-45.39	286.95	5.62	-39.77
O=C(NC1=N[N-]N=N1)C1CCC2=NNC(=O)N2C1	REAL250004603649	0	27	-1.0	-46.51	237.19	1.60	-44.91
O=C(NC1=NN=N[N-]1)C1CCC2=NNC(=O)N2C1	REAL250004603649	1	27	-1.0	-46.58	237.10	1.61	-44.97
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004603650	0	26	-1.0	-44.76	254.65	4.33	-40.43
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004603650	1	26	-1.0	-44.71	254.75	4.31	-40.40
COC1=CN(CC(=O)NC2=N[N-]N=N2)C(C)=CC1=O	REAL250004603651	0	30	-1.0	-58.08	264.21	3.92	-54.16
COC1=CN(CC(=O)NC2=NN=N[N-]2)C(C)=CC1=O	REAL250004603651	1	30	-1.0	-58.18	264.12	3.93	-54.25
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CC1	REAL250004603652	0	33	-1.0	-43.09	283.99	7.17	-35.92
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250004603652	1	33	-1.0	-43.12	283.90	7.17	-35.95
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004603653	0	25	-1.0	-48.14	249.68	2.85	-45.29
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=CN=C2)=N1	REAL250004603653	1	25	-1.0	-48.05	249.78	2.83	-45.22
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004603654	0	30	-1.0	-49.80	264.80	4.93	-44.87
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004603654	1	30	-1.0	-49.73	264.89	4.92	-44.81
O=C(NC1=N[N-]N=N1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004603655	0	34	-1.0	-49.18	267.39	6.24	-42.94
O=C(NC1=NN=N[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004603655	1	34	-1.0	-49.29	267.29	6.26	-43.03
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004603656	0	26	-1.0	-46.18	249.25	2.28	-43.90
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004603656	1	26	-1.0	-46.12	249.35	2.27	-43.85
CC1=CC=C(OCCC(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004603657	0	30	-1.0	-42.91	279.45	5.32	-37.59
CC1=CC=C(OCCC(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004603657	1	30	-1.0	-42.97	279.36	5.34	-37.63
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL250004603658	0	26	-1.0	-45.25	250.55	1.56	-43.69
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL250004603658	1	26	-1.0	-45.21	250.65	1.56	-43.65
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1OCCO	REAL250004603659	0	27	-1.0	-53.80	245.66	-0.49	-54.29
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1OCCO	REAL250004603659	1	27	-1.0	-53.72	245.76	-0.49	-54.21
O=C(NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL250004603660	0	24	-1.0	-43.91	237.84	3.67	-40.24
O=C(NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1F	REAL250004603660	1	24	-1.0	-43.83	237.94	3.67	-40.16
O=C(NC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004603661	0	22	-1.0	-35.20	225.14	3.83	-31.37
O=C(NC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL250004603661	1	22	-1.0	-35.28	225.05	3.84	-31.44
O=C(NC1=NN=N[N-]1)C1=C(O)C=CC2=CC=CC=C21	REAL250004603662	0	27	-1.0	-50.77	247.09	3.05	-47.72
O=C(NC1=N[N-]N=N1)C1=C(O)C=CC2=CC=CC=C21	REAL250004603662	1	27	-1.0	-50.65	247.19	3.04	-47.61
O=C(NC1=NN=N[N-]1)C1=NN2C=C(CCO)C=NC2=N1	REAL250004603663	0	28	-1.0	-51.88	262.68	2.03	-49.85
O=C(NC1=N[N-]N=N1)C1=NN2C=C(CCO)C=NC2=N1	REAL250004603663	1	28	-1.0	-51.88	262.78	2.02	-49.86
O=C(NC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL250004603664	0	25	-1.0	-50.01	252.82	3.49	-46.52
O=C(NC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL250004603664	1	25	-1.0	-49.96	252.92	3.49	-46.47
O=C(NC1=NN=N[N-]1)C1=C(Br)C=NS1	REAL250004603665	0	16	-1.0	-39.54	193.22	2.06	-37.48
O=C(NC1=N[N-]N=N1)C1=C(Br)C=NS1	REAL250004603665	1	16	-1.0	-39.49	193.32	2.05	-37.44
O=C(NC1=NN=N[N-]1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL250004603666	0	25	-1.0	-44.11	250.52	3.38	-40.73
O=C(NC1=N[N-]N=N1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL250004603666	1	25	-1.0	-44.04	250.62	3.37	-40.67
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2=N[N-]N=N2)C1	REAL250004603667	0	38	-1.0	-57.31	316.81	0.49	-56.82
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2=NN=N[N-]2)C1	REAL250004603667	1	38	-1.0	-57.36	316.72	0.50	-56.86
CC(C)[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603668	0	42	-1.0	-50.09	328.35	3.56	-46.53
CC(C)[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603668	1	42	-1.0	-50.18	328.25	3.57	-46.61
CC(C)[C@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004603669	0	42	-1.0	-50.31	331.90	4.04	-46.27
CC(C)[C@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004603669	1	42	-1.0	-50.39	331.80	4.05	-46.34
O=C(NC1=NN=N[N-]1)C1=CN=C(Cl)C=C1Cl	REAL250004603670	0	19	-1.0	-40.05	212.00	2.97	-37.08
O=C(NC1=N[N-]N=N1)C1=CN=C(Cl)C=C1Cl	REAL250004603670	1	19	-1.0	-39.95	212.10	2.97	-36.98
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=N[N-]N=N1	REAL250004603671	0	28	-1.0	-53.11	257.15	3.90	-49.21
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=NN=N[N-]1	REAL250004603671	1	28	-1.0	-53.21	257.06	3.91	-49.30
O=C(NC1=NN=N[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL250004603672	0	34	-1.0	-47.07	287.57	3.69	-43.38
O=C(NC1=N[N-]N=N1)C1=CN(CC2CCCCO2)N=C1	REAL250004603672	1	34	-1.0	-46.98	287.67	3.69	-43.29
O=C(NC1=NN=N[N-]1)C1=CSC2=C1CCCCCC2	REAL250004603673	0	33	-1.0	-45.72	263.39	6.27	-39.45
O=C(NC1=N[N-]N=N1)C1=CSC2=C1CCCCCC2	REAL250004603673	1	33	-1.0	-45.64	263.49	6.25	-39.39
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=NN=N[N-]1	REAL250004603674	0	33	-1.0	-45.58	274.03	6.29	-39.29
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=N[N-]N=N1	REAL250004603674	1	33	-1.0	-45.51	274.13	6.28	-39.23
CCC(C(=O)NC1=N[N-]N=N1)C1(O)CCCCC1	REAL250004603675	0	36	-1.0	-44.07	269.19	3.16	-40.91
CCC(C(=O)NC1=NN=N[N-]1)C1(O)CCCCC1	REAL250004603675	1	36	-1.0	-44.11	269.09	3.18	-40.93
COC(=O)C1=C(C)NN=C1C(=O)NC1=NN=N[N-]1	REAL250004603676	0	26	-1.0	-52.39	248.05	1.59	-50.80
COC(=O)C1=C(C)NN=C1C(=O)NC1=N[N-]N=N1	REAL250004603676	1	26	-1.0	-52.35	248.15	1.58	-50.77
C#CC1=CC=CC(NC(=O)CC(=O)NC2=N[N-]N=N2)=C1	REAL250004603677	0	29	-1.0	-61.83	270.81	5.28	-56.55
C#CC1=CC=CC(NC(=O)CC(=O)NC2=NN=N[N-]2)=C1	REAL250004603677	1	29	-1.0	-61.93	270.71	5.29	-56.64
O=C(NC1=N[N-]N=N1)C(F)(F)C(O)C1=CC=CC=C1	REAL250004603678	0	27	-1.0	-40.72	249.94	2.76	-37.96
O=C(NC1=NN=N[N-]1)C(F)(F)C(O)C1=CC=CC=C1	REAL250004603678	1	27	-1.0	-40.76	249.84	2.77	-37.99
CC(C)(C)OC(=O)NC1(CC(=O)NC2=N[N-]N=N2)COC1	REAL250004603679	0	38	-1.0	-49.15	306.38	1.77	-47.38
CC(C)(C)OC(=O)NC1(CC(=O)NC2=NN=N[N-]2)COC1	REAL250004603679	1	38	-1.0	-49.27	306.28	1.78	-47.49
CC(C)(C)OC(=O)C12CC(C(=O)NC3=N[N-]N=N3)(C1)C2	REAL250004603680	0	36	-1.0	-44.15	300.42	6.06	-38.09
CC(C)(C)OC(=O)C12CC(C(=O)NC3=NN=N[N-]3)(C1)C2	REAL250004603680	1	36	-1.0	-44.19	300.32	6.07	-38.12
CN1N=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=C1Cl	REAL250004603681	0	23	-1.0	-44.93	241.20	2.97	-41.96
CN1N=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=C1Cl	REAL250004603681	1	23	-1.0	-44.85	241.30	2.97	-41.88
O=C(CN1CCCC(C(F)(F)F)C1=O)NC1=N[N-]N=N1	REAL250004603682	0	30	-1.0	-50.45	268.59	3.73	-46.72
O=C(CN1CCCC(C(F)(F)F)C1=O)NC1=NN=N[N-]1	REAL250004603682	1	30	-1.0	-50.46	268.49	3.74	-46.72
O=C(NC1=NN=N[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL250004603683	0	28	-1.0	-57.14	246.99	2.27	-54.87
O=C(NC1=N[N-]N=N1)C1=CC=C2CCNC(=O)C2=C1	REAL250004603683	1	28	-1.0	-57.08	247.09	2.26	-54.82
CC1=CC2=CC=NC=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603684	0	28	-1.0	-49.41	245.26	4.92	-44.49
CC1=CC2=CC=NC=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603684	1	28	-1.0	-49.30	245.36	4.92	-44.38
CC(C)(C)OCCOCCC(=O)NC1=N[N-]N=N1	REAL250004603685	0	36	-1.0	-43.91	297.44	2.91	-41.00
CC(C)(C)OCCOCCC(=O)NC1=NN=N[N-]1	REAL250004603685	1	36	-1.0	-43.95	297.35	2.92	-41.03
CC(C)C1CCC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)C1	REAL250004603686	0	36	-1.0	-43.87	299.12	7.18	-36.69
CC(C)C1CCC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)C1	REAL250004603686	1	36	-1.0	-43.83	299.22	7.16	-36.67
COC(=O)C1=CC(CCC(=O)NC2=N[N-]N=N2)=CN1	REAL250004603687	0	30	-1.0	-49.14	275.20	3.69	-45.45
COC(=O)C1=CC(CCC(=O)NC2=NN=N[N-]2)=CN1	REAL250004603687	1	30	-1.0	-49.23	275.11	3.71	-45.52
O=C(NC1=NN=N[N-]1)C1CCCC(NC2=CN=CC=N2)C1	REAL250004603688	0	36	-1.0	-45.47	291.02	3.41	-42.06
O=C(NC1=N[N-]N=N1)C1CCCC(NC2=CN=CC=N2)C1	REAL250004603688	1	36	-1.0	-45.41	291.11	3.38	-42.03
O=C(NC1=NN=N[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL250004603689	0	30	-1.0	-48.97	269.15	6.36	-42.61
O=C(NC1=N[N-]N=N1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL250004603689	1	30	-1.0	-48.90	269.25	6.36	-42.54
CN(C)C(C(=O)NC1=N[N-]N=N1)C1=CSC=N1	REAL250004603690	0	27	-1.0	-46.87	247.57	0.69	-46.18
CN(C)C(C(=O)NC1=NN=N[N-]1)C1=CSC=N1	REAL250004603690	1	27	-1.0	-46.94	247.48	0.70	-46.24
CC1=CC(Br)=CC(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004603691	0	25	-1.0	-47.85	248.56	4.08	-43.77
CC1=CC(Br)=CC(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004603691	1	25	-1.0	-47.92	248.47	4.09	-43.83
O=C(NC1=NN=N[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL250004603692	0	28	-1.0	-49.83	247.24	2.99	-46.84
O=C(NC1=N[N-]N=N1)C1=CC=C2CCC(=O)NC2=C1	REAL250004603692	1	28	-1.0	-49.76	247.34	2.97	-46.79
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603693	0	30	-1.0	-44.91	272.88	5.63	-39.28
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603693	1	30	-1.0	-44.88	272.98	5.62	-39.26
CC1=CC=CN2C(CC(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004603694	0	29	-1.0	-52.12	260.11	5.44	-46.68
CC1=CC=CN2C(CC(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004603694	1	29	-1.0	-52.17	260.01	5.46	-46.71
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL250004603695	0	34	-1.0	-43.65	292.25	7.08	-36.57
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL250004603695	1	34	-1.0	-43.70	292.16	7.10	-36.60
O=C(NC1=NN=N[N-]1)C1=C(CO)C2=CC=CC=C2O1	REAL250004603696	0	27	-1.0	-46.16	247.81	1.55	-44.61
O=C(NC1=N[N-]N=N1)C1=C(CO)C2=CC=CC=C2O1	REAL250004603696	1	27	-1.0	-46.13	247.91	1.54	-44.59
CS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603697	0	29	-1.0	-55.30	272.84	1.99	-53.31
CS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603697	1	29	-1.0	-55.33	272.75	2.01	-53.32
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004603698	0	30	-1.0	-47.96	276.14	6.24	-41.72
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004603698	1	30	-1.0	-47.88	276.24	6.23	-41.65
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL250004603699	0	31	-1.0	-52.53	289.64	5.95	-46.58
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1OCC1CC1	REAL250004603699	1	31	-1.0	-52.52	289.74	5.93	-46.59
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2CCCCC2)=NO1	REAL250004603700	0	35	-1.0	-41.18	294.54	5.84	-35.34
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004603700	1	35	-1.0	-41.25	294.45	5.86	-35.39
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004603701	0	32	-1.0	-41.08	276.14	5.19	-35.89
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004603701	1	32	-1.0	-41.11	276.04	5.22	-35.89
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603702	0	33	-1.0	-48.16	294.91	7.22	-40.94
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603702	1	33	-1.0	-48.06	295.01	7.19	-40.87
CN1C=C(C2(C(=O)NC3=NN=N[N-]3)CCCO2)C=N1	REAL250004603703	0	31	-1.0	-46.62	266.64	2.41	-44.21
CN1C=C(C2(C(=O)NC3=N[N-]N=N3)CCCO2)C=N1	REAL250004603703	1	31	-1.0	-46.58	266.73	2.39	-44.19
O=C(CC1=CC=C2OC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004603704	0	26	-1.0	-48.51	243.94	1.97	-46.54
O=C(CC1=CC=C2OC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004603704	1	26	-1.0	-48.63	243.84	1.99	-46.64
C=CCCCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603705	0	33	-1.0	-45.16	286.10	7.36	-37.80
C=CCCCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603705	1	33	-1.0	-45.08	286.20	7.35	-37.73
O=C(NC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004603706	0	30	-1.0	-43.10	256.67	5.50	-37.60
O=C(NC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004603706	1	30	-1.0	-43.16	256.57	5.51	-37.65
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=N[N-]N=N1	REAL250004603707	0	32	-1.0	-58.99	280.75	1.60	-57.39
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=NN=N[N-]1	REAL250004603707	1	32	-1.0	-59.08	280.65	1.62	-57.46
O=C(NC1=NN=N[N-]1)C1=CC=C(C2(O)COC2)C=C1	REAL250004603710	0	29	-1.0	-46.17	253.23	0.87	-45.30
O=C(NC1=N[N-]N=N1)C1=CC=C(C2(O)COC2)C=C1	REAL250004603710	1	29	-1.0	-46.11	253.33	0.85	-45.26
CN1N=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004603711	0	20	-1.0	-43.76	224.08	2.46	-41.30
CN1N=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004603711	1	20	-1.0	-43.72	224.18	2.46	-41.26
O=C(CC(C(F)F)N1CCOCC1)NC1=N[N-]N=N1	REAL250004603712	0	32	-1.0	-43.81	261.11	0.96	-42.85
O=C(CC(C(F)F)N1CCOCC1)NC1=NN=N[N-]1	REAL250004603712	1	32	-1.0	-43.87	261.01	0.97	-42.90
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CN=C2)N1	REAL250004603713	0	29	-1.0	-47.72	262.92	3.03	-44.69
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CN=C2)N1	REAL250004603713	1	29	-1.0	-47.63	263.06	3.01	-44.62
CC1=C(C(=O)NC2=NN=N[N-]2)NC(C2=CC=CN=C2)=N1	REAL250004603713	1	29	-1.0	-44.03	262.18	3.08	-40.95
CC1=C(C(=O)NC2=N[N-]N=N2)NC(C2=CC=CN=C2)=N1	REAL250004603713	1	29	-1.0	-43.98	262.29	3.07	-40.91
CC1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=N1	REAL250004603714	0	28	-1.0	-45.37	262.53	4.53	-40.84
CC1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=N1	REAL250004603714	1	28	-1.0	-45.29	262.63	4.51	-40.78
NC1=C(C(=O)NC2=NN=N[N-]2)C=CN=C1C(F)(F)F	REAL250004603715	0	24	-1.0	-40.30	228.74	1.49	-38.81
NC1=C(C(=O)NC2=N[N-]N=N2)C=CN=C1C(F)(F)F	REAL250004603715	1	24	-1.0	-40.22	228.83	1.49	-38.73
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=N[N-]N=N1	REAL250004603716	0	40	-1.0	-54.07	321.46	4.74	-49.33
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=NN=N[N-]1	REAL250004603716	1	40	-1.0	-54.15	321.36	4.76	-49.39
CCC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004603717	0	31	-1.0	-45.96	270.48	5.21	-40.75
CCC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004603717	1	31	-1.0	-45.97	270.57	5.21	-40.76
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004603718	0	33	-1.0	-39.81	260.51	4.29	-35.52
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004603718	1	33	-1.0	-39.86	260.41	4.30	-35.56
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCCO1	REAL250004603719	0	32	-1.0	-43.74	259.15	3.26	-40.48
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCCO1	REAL250004603719	1	32	-1.0	-43.80	259.06	3.27	-40.53
O=C(C=CC1=CC=C(F)C=C1F)NC1=N[N-]N=N1	REAL250004603720	0	24	-1.0	-46.13	233.95	5.09	-41.04
O=C(C=CC1=CC=C(F)C=C1F)NC1=NN=N[N-]1	REAL250004603720	1	24	-1.0	-46.21	233.84	5.09	-41.12
O=C(CCC1=CN=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004603721	0	25	-1.0	-43.10	249.62	4.11	-38.99
O=C(CCC1=CN=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004603721	1	25	-1.0	-43.00	249.71	4.10	-38.90
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004603722	0	24	-1.0	-42.70	233.05	3.46	-39.24
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004603722	1	24	-1.0	-42.63	233.14	3.44	-39.19
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004603723	0	33	-1.0	-49.68	272.72	5.50	-44.18
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004603723	1	33	-1.0	-49.60	272.81	5.49	-44.11
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603724	0	31	-1.0	-43.90	271.57	4.75	-39.15
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603724	1	31	-1.0	-43.81	271.66	4.75	-39.06
CC1(C)OC(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004603725	0	30	-1.0	-52.82	267.66	5.50	-47.32
CC1(C)OC(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004603725	1	30	-1.0	-52.80	267.76	5.49	-47.31
O=C(NC1=NN=N[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL250004603726	0	26	-1.0	-43.59	253.85	4.90	-38.69
O=C(NC1=N[N-]N=N1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL250004603726	1	26	-1.0	-43.53	253.95	4.89	-38.64
NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603727	0	26	-1.0	-55.10	249.24	0.41	-54.69
NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603727	1	26	-1.0	-55.04	249.34	0.38	-54.66
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1=N[N-]N=N1	REAL250004603728	0	37	-1.0	-53.51	312.90	-1.33	-54.84
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1=NN=N[N-]1	REAL250004603728	1	37	-1.0	-53.57	312.81	-1.30	-54.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCCO1	REAL250004603729	0	34	-1.0	-43.72	273.66	5.48	-38.24
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCCO1	REAL250004603729	1	34	-1.0	-43.76	273.56	5.50	-38.26
CN1N=C(C2CCOCC2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603730	0	34	-1.0	-41.09	282.38	2.89	-38.20
CN1N=C(C2CCOCC2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603730	1	34	-1.0	-41.15	282.28	2.89	-38.26
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=NN=N[N-]1	REAL250004603731	0	30	-1.0	-53.65	271.70	5.80	-47.85
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=N[N-]N=N1	REAL250004603731	1	30	-1.0	-53.55	271.79	5.79	-47.76
COC(=O)C1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004603732	0	28	-1.0	-43.69	247.85	3.23	-40.46
COC(=O)C1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004603732	1	28	-1.0	-43.62	247.95	3.22	-40.40
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL250004603733	0	30	-1.0	-52.75	275.81	5.56	-47.19
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL250004603733	1	30	-1.0	-52.66	275.91	5.55	-47.11
CC(=O)NC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004603734	0	33	-1.0	-45.92	268.52	2.79	-43.13
CC(=O)NC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004603734	1	33	-1.0	-45.98	268.41	2.81	-43.17
CN(C)C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004603735	0	29	-1.0	-43.71	256.46	2.91	-40.80
CN(C)C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004603735	1	29	-1.0	-43.61	256.55	2.90	-40.71
CC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL250004603736	0	28	-1.0	-41.93	252.55	4.75	-37.18
CC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL250004603736	1	28	-1.0	-41.83	252.65	4.75	-37.08
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603737	0	29	-1.0	-55.27	271.17	1.85	-53.42
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603737	1	29	-1.0	-55.18	271.26	1.83	-53.35
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OC(F)F	REAL250004603738	0	27	-1.0	-50.61	246.69	4.11	-46.50
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OC(F)F	REAL250004603738	1	27	-1.0	-50.58	246.79	4.09	-46.49
CN1C=C(Br)C(CC(=O)NC2=N[N-]N=N2)=N1	REAL250004603739	0	23	-1.0	-48.50	235.88	2.72	-45.78
CN1C=C(Br)C(CC(=O)NC2=NN=N[N-]2)=N1	REAL250004603739	1	23	-1.0	-48.54	235.79	2.75	-45.79
O=C(NC1=N[N-]N=N1)C1CCC(C(F)(F)F)N1	REAL250004603740	0	25	-1.0	-47.91	232.04	0.84	-47.07
O=C(NC1=NN=N[N-]1)C1CCC(C(F)(F)F)N1	REAL250004603740	1	25	-1.0	-47.94	231.94	0.85	-47.09
CCC1=C(C(=O)NC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004603741	0	29	-1.0	-45.05	262.16	6.59	-38.46
CCC1=C(C(=O)NC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004603741	1	29	-1.0	-44.95	262.26	6.58	-38.37
CC1=CC=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004603742	0	28	-1.0	-44.63	248.80	5.01	-39.62
CC1=CC=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004603742	1	28	-1.0	-44.55	248.90	5.01	-39.54
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004603743	0	31	-1.0	-45.71	268.97	4.81	-40.90
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004603743	1	31	-1.0	-45.75	268.87	4.81	-40.94
CC(C)C1CCC(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004603744	0	33	-1.0	-45.43	262.58	2.11	-43.32
CC(C)C1CCC(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004603744	1	33	-1.0	-45.48	262.49	2.13	-43.35
NC1=C(Cl)N=CN=C1NCC(=O)NC1=NN=N[N-]1	REAL250004603745	0	25	-1.0	-40.95	243.44	0.59	-40.36
NC1=C(Cl)N=CN=C1NCC(=O)NC1=N[N-]N=N1	REAL250004603745	1	25	-1.0	-40.87	243.53	0.58	-40.29
CC1=C(C(F)(F)F)NN=C1C(=O)NC1=N[N-]N=N1	REAL250004603746	0	23	-1.0	-40.52	227.91	1.85	-38.67
CC1=C(C(F)(F)F)NN=C1C(=O)NC1=NN=N[N-]1	REAL250004603746	1	23	-1.0	-40.62	227.81	1.87	-38.75
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1=N[N-]N=N1	REAL250004603747	0	34	-1.0	-45.54	289.08	-0.83	-46.37
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1=NN=N[N-]1	REAL250004603747	1	34	-1.0	-45.59	288.98	-0.82	-46.41
O=C(NC1=NN=N[N-]1)C1=CC=NC=C1N1C=CC=N1	REAL250004603748	0	26	-1.0	-50.13	239.16	3.82	-46.31
O=C(NC1=N[N-]N=N1)C1=CC=NC=C1N1C=CC=N1	REAL250004603748	1	26	-1.0	-50.08	239.26	3.82	-46.26
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CNC=N2)=N1	REAL250004603749	0	23	-1.0	-55.29	235.95	2.16	-53.13
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CNC=N2)=N1	REAL250004603749	1	23	-1.0	-55.26	236.05	2.15	-53.11
O=C(CC1=NC(C(F)(F)F)=CS1)NC1=N[N-]N=N1	REAL250004603750	0	22	-1.0	-46.81	237.88	2.62	-44.19
O=C(CC1=NC(C(F)(F)F)=CS1)NC1=NN=N[N-]1	REAL250004603750	1	22	-1.0	-46.89	237.79	2.64	-44.25
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004603751	0	36	-1.0	-47.21	300.73	8.24	-38.97
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004603751	1	36	-1.0	-47.17	300.82	8.23	-38.94
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004603752	0	29	-1.0	-43.60	258.18	5.14	-38.46
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004603752	1	29	-1.0	-43.51	258.27	5.13	-38.38
COC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004603753	0	26	-1.0	-45.34	254.65	4.97	-40.37
COC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004603753	1	26	-1.0	-45.24	254.74	4.96	-40.28
CC1=CC(Cl)=CC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004603754	0	26	-1.0	-42.16	246.86	5.24	-36.92
CC1=CC(Cl)=CC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004603754	1	26	-1.0	-42.12	246.95	5.24	-36.88
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004603755	0	33	-1.0	-45.92	268.52	2.78	-43.14
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004603755	1	33	-1.0	-45.97	268.41	2.81	-43.16
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004603756	0	29	-1.0	-45.13	259.97	5.36	-39.77
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004603756	1	29	-1.0	-45.04	260.07	5.37	-39.67
O=C(CON=C1CCCCCC1)NC1=N[N-]N=N1	REAL250004603757	0	33	-1.0	-47.22	271.02	5.11	-42.11
O=C(CON=C1CCCCCC1)NC1=NN=N[N-]1	REAL250004603757	1	33	-1.0	-47.25	270.93	5.12	-42.13
O=C(CC(N1CCOCC1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004603758	0	32	-1.0	-42.37	265.66	1.14	-41.23
O=C(CC(N1CCOCC1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004603758	1	32	-1.0	-42.43	265.57	1.14	-41.29
CN1CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004603759	0	30	-1.0	-46.88	261.73	2.98	-43.90
CN1CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004603759	1	30	-1.0	-46.76	261.83	2.98	-43.78
CC(F)(F)C1(C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004603760	0	30	-1.0	-39.96	241.46	2.72	-37.24
CC(F)(F)C1(C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004603760	1	30	-1.0	-40.01	241.37	2.74	-37.27
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL250004603761	0	28	-1.0	-42.24	256.15	1.96	-40.28
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL250004603761	1	28	-1.0	-42.14	256.25	1.96	-40.18
O=C(NC1=N[N-]N=N1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004603762	0	31	-1.0	-48.41	250.61	1.46	-46.95
O=C(NC1=NN=N[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004603762	1	31	-1.0	-48.48	250.52	1.47	-47.01
O=C(NC1=N[N-]N=N1)C1(C2CCCCO2)CCCO1	REAL250004603763	0	35	-1.0	-43.45	276.67	3.26	-40.19
O=C(NC1=NN=N[N-]1)C1(C2CCCCO2)CCCO1	REAL250004603763	1	35	-1.0	-43.46	276.58	3.28	-40.18
CC1=CC=CC(C(C(=O)NC2=N[N-]N=N2)C2CCCCC2)=C1	REAL250004603764	0	42	-1.0	-44.29	328.98	8.76	-35.53
CC1=CC=CC(C(C(=O)NC2=NN=N[N-]2)C2CCCCC2)=C1	REAL250004603764	1	42	-1.0	-44.38	328.89	8.76	-35.62
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL250004603765	0	30	-1.0	-52.75	272.60	5.20	-47.55
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC(F)=C2)=N1	REAL250004603765	1	30	-1.0	-52.68	272.68	5.19	-47.49
CS(=O)(=O)C1=C(C(=O)NC2=NN=N[N-]2)C=CS1	REAL250004603766	0	23	-1.0	-51.63	234.33	1.26	-50.37
CS(=O)(=O)C1=C(C(=O)NC2=N[N-]N=N2)C=CS1	REAL250004603766	1	23	-1.0	-51.58	234.43	1.25	-50.33
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004603767	0	26	-1.0	-42.61	258.22	4.49	-38.12
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004603767	1	26	-1.0	-42.57	258.31	4.48	-38.09
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NC1=N[N-]N=N1	REAL250004603768	0	28	-1.0	-48.40	266.61	5.43	-42.97
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NC1=NN=N[N-]1	REAL250004603768	1	28	-1.0	-48.46	266.52	5.44	-43.02
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004603769	0	38	-1.0	-42.30	308.45	0.94	-41.36
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004603769	1	38	-1.0	-42.36	308.36	0.95	-41.41
CCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004603770	0	29	-1.0	-42.09	264.81	6.12	-35.97
CCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004603770	1	29	-1.0	-42.19	264.73	6.13	-36.06
O=C(NC1=N[N-]N=N1)C(O)C1=CC=CC(Cl)=C1	REAL250004603771	0	24	-1.0	-42.37	237.00	2.98	-39.39
O=C(NC1=NN=N[N-]1)C(O)C1=CC=CC(Cl)=C1	REAL250004603771	1	24	-1.0	-42.43	236.90	3.00	-39.43
CC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)CC2=C1	REAL250004603772	0	28	-1.0	-45.23	257.10	5.99	-39.24
CC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)CC2=C1	REAL250004603772	1	28	-1.0	-45.25	257.01	6.01	-39.24
O=C(CC1=CC=C(C2CCC2)C=C1)NC1=N[N-]N=N1	REAL250004603773	0	33	-1.0	-44.91	277.91	7.06	-37.85
O=C(CC1=CC=C(C2CCC2)C=C1)NC1=NN=N[N-]1	REAL250004603773	1	33	-1.0	-44.98	277.81	7.08	-37.90
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL250004603774	0	26	-1.0	-44.73	258.10	5.21	-39.52
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL250004603774	1	26	-1.0	-44.70	258.20	5.21	-39.49
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004603775	0	28	-1.0	-43.94	259.17	5.18	-38.76
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250004603775	1	28	-1.0	-43.88	259.26	5.16	-38.72
O=C(NC1=NN=N[N-]1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004603776	0	27	-1.0	-48.93	243.46	3.29	-45.64
O=C(NC1=N[N-]N=N1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004603776	1	27	-1.0	-48.84	243.56	3.28	-45.56
CC(C)(C)OC(=O)N1C=CCCC1C(=O)NC1=N[N-]N=N1	REAL250004603777	0	38	-1.0	-46.56	306.84	5.24	-41.32
CC(C)(C)OC(=O)N1C=CCCC1C(=O)NC1=NN=N[N-]1	REAL250004603777	1	38	-1.0	-46.61	306.74	5.25	-41.36
O=C(NC1=NN=N[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250004603778	0	27	-1.0	-50.69	241.71	0.89	-49.80
O=C(NC1=N[N-]N=N1)C1=CC=C2CNC(=O)NC2=C1	REAL250004603778	1	27	-1.0	-50.58	241.81	0.87	-49.71
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004603779	0	33	-1.0	-47.59	272.23	5.59	-42.00
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004603779	1	33	-1.0	-47.54	272.32	5.56	-41.98
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CC1	REAL250004603780	0	37	-1.0	-41.33	303.62	2.73	-38.60
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CC1	REAL250004603780	1	37	-1.0	-41.35	303.49	2.76	-38.59
O=C(C#CC12CC3CC(CC(C3)C1)C2)NC1=N[N-]N=N1	REAL250004603781	0	36	-1.0	-42.51	283.41	7.07	-35.44
O=C(C#CC12CC3CC(CC(C3)C1)C2)NC1=NN=N[N-]1	REAL250004603781	1	36	-1.0	-42.56	283.30	7.09	-35.47
CC1=C(Cl)C=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004603782	0	27	-1.0	-41.34	256.48	4.83	-36.51
CC1=C(Cl)C=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004603782	1	27	-1.0	-41.24	256.58	4.82	-36.42
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)N(C)C2=C1	REAL250004603783	0	31	-1.0	-44.77	268.43	4.65	-40.12
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)N(C)C2=C1	REAL250004603783	1	31	-1.0	-44.71	268.53	4.64	-40.07
COCC1=NC=C(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004603784	0	26	-1.0	-54.29	239.27	0.05	-54.24
COCC1=NC=C(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004603784	1	26	-1.0	-54.08	239.78	0.10	-53.98
NC(=O)CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=CC=C21	REAL250004603785	0	31	-1.0	-49.28	276.53	1.21	-48.07
NC(=O)CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=CC=C21	REAL250004603785	1	31	-1.0	-49.22	276.63	1.20	-48.02
CN1N=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004603786	0	23	-1.0	-42.61	228.77	2.37	-40.24
CN1N=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004603786	1	23	-1.0	-42.53	228.87	2.36	-40.17
O=C(NC1=NN=N[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250004603787	0	24	-1.0	-46.60	232.45	3.18	-43.42
O=C(NC1=N[N-]N=N1)C1=CN(C2CC2(F)F)N=C1	REAL250004603787	1	24	-1.0	-46.52	232.56	3.17	-43.35
O=C(COCCC1=CC=C(Cl)S1)NC1=N[N-]N=N1	REAL250004603788	0	27	-1.0	-46.00	275.39	5.31	-40.69
O=C(COCCC1=CC=C(Cl)S1)NC1=NN=N[N-]1	REAL250004603788	1	27	-1.0	-46.08	275.30	5.32	-40.76
CC1=CC=C(C)C(C(C(=O)NC2=N[N-]N=N2)C(C)C)=C1	REAL250004603789	0	38	-1.0	-45.60	306.82	7.27	-38.33
CC1=CC=C(C)C(C(C(=O)NC2=NN=N[N-]2)C(C)C)=C1	REAL250004603789	1	38	-1.0	-45.67	306.72	7.28	-38.39
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOC2)S1	REAL250004603790	0	27	-1.0	-43.20	251.78	1.76	-41.44
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOC2)S1	REAL250004603790	1	27	-1.0	-43.28	251.67	1.77	-41.51
COC1=CN(C)C(C(=O)NC2=NN=N[N-]2)=CC1=O	REAL250004603791	0	27	-1.0	-46.48	237.24	3.04	-43.44
COC1=CN(C)C(C(=O)NC2=N[N-]N=N2)=CC1=O	REAL250004603791	1	27	-1.0	-46.42	237.33	3.02	-43.40
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL250004603792	0	27	-1.0	-44.97	261.81	6.35	-38.62
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL250004603792	1	27	-1.0	-44.90	261.92	6.34	-38.56
CN1C=CC(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)=N1	REAL250004603793	0	26	-1.0	-46.50	251.01	2.61	-43.89
CN1C=CC(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)=N1	REAL250004603793	1	26	-1.0	-46.43	251.10	2.60	-43.83
O=C(COCCC1=CC=CS1)NC1=N[N-]N=N1	REAL250004603794	0	27	-1.0	-46.57	258.35	4.69	-41.88
O=C(COCCC1=CC=CS1)NC1=NN=N[N-]1	REAL250004603794	1	27	-1.0	-46.66	258.25	4.70	-41.96
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004603795	0	34	-1.0	-46.05	273.37	7.26	-38.79
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004603795	1	34	-1.0	-46.16	273.28	7.27	-38.89
CCN1N=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004603796	0	23	-1.0	-40.35	236.10	2.91	-37.44
CCN1N=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004603796	1	23	-1.0	-40.24	236.20	2.90	-37.34
CCN1C=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603797	0	23	-1.0	-48.07	233.57	3.08	-44.99
CCN1C=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603797	1	23	-1.0	-48.00	233.67	3.07	-44.93
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)CC1	REAL250004603798	0	33	-1.0	-51.12	273.24	2.37	-48.75
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)CC1	REAL250004603798	1	33	-1.0	-51.18	273.15	2.39	-48.79
O=C(NC1=NN=N[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL250004603799	0	27	-1.0	-45.25	261.28	5.25	-40.00
O=C(NC1=N[N-]N=N1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL250004603799	1	27	-1.0	-45.18	261.38	5.23	-39.95
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL250004603800	0	34	-1.0	-49.61	288.40	4.20	-45.41
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL250004603800	1	34	-1.0	-49.57	288.50	4.19	-45.38
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=N[N-]N=N1	REAL250004603801	0	33	-1.0	-49.34	296.40	6.12	-43.22
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=NN=N[N-]1	REAL250004603801	1	33	-1.0	-49.42	296.30	6.14	-43.28
CC1=C(C)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N=N1	REAL250004603802	0	30	-1.0	-44.56	259.58	4.17	-40.39
CC1=C(C)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N=N1	REAL250004603802	1	30	-1.0	-44.45	259.67	4.15	-40.30
CC1OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1C	REAL250004603803	0	31	-1.0	-44.76	260.80	4.91	-39.85
CC1OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1C	REAL250004603803	1	31	-1.0	-44.70	260.90	4.91	-39.79
CN1C=C(C(F)(F)C(=O)NC2=N[N-]N=N2)C=CC1=O	REAL250004603804	0	26	-1.0	-42.94	243.76	3.35	-39.59
CN1C=C(C(F)(F)C(=O)NC2=NN=N[N-]2)C=CC1=O	REAL250004603804	1	26	-1.0	-43.03	243.66	3.36	-39.67
COC1=CC=C2C(CC(=O)NC3=NN=N[N-]3)=CNC2=C1	REAL250004603805	0	31	-1.0	-49.41	273.39	3.83	-45.58
COC1=CC=C2C(CC(=O)NC3=N[N-]N=N3)=CNC2=C1	REAL250004603805	1	31	-1.0	-49.35	273.48	3.81	-45.54
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004603806	0	35	-1.0	-43.30	308.84	7.08	-36.22
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004603806	1	35	-1.0	-43.22	308.94	7.05	-36.17
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL250004603807	0	39	-1.0	-44.93	306.41	8.16	-36.77
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL250004603807	1	39	-1.0	-45.01	306.34	8.19	-36.82
O=C(CCC1=C2CCCCC2=NN1)NC1=N[N-]N=N1	REAL250004603808	0	33	-1.0	-43.88	276.18	4.01	-39.87
O=C(CCC1=C2CCCCC2=NN1)NC1=NN=N[N-]1	REAL250004603808	1	33	-1.0	-43.98	276.09	4.03	-39.95
O=C(NC1=NN=N[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL250004603809	0	25	-1.0	-46.50	248.24	4.85	-41.65
O=C(NC1=N[N-]N=N1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL250004603809	1	25	-1.0	-46.43	248.33	4.84	-41.59
O=C(C=CC1=CC=C(C(F)F)O1)NC1=N[N-]N=N1	REAL250004603810	0	24	-1.0	-43.73	239.71	4.30	-39.43
O=C(C=CC1=CC=C(C(F)F)O1)NC1=NN=N[N-]1	REAL250004603810	1	24	-1.0	-43.82	239.61	4.30	-39.52
O=C(CCC1=CC=C(Cl)N=C1)NC1=NN=N[N-]1	REAL250004603811	0	25	-1.0	-44.34	245.16	3.93	-40.41
O=C(CCC1=CC=C(Cl)N=C1)NC1=N[N-]N=N1	REAL250004603811	1	25	-1.0	-44.27	245.26	3.92	-40.35
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603812	0	27	-1.0	-42.28	247.96	4.36	-37.92
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603812	1	27	-1.0	-42.22	248.06	4.35	-37.87
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=N[N-]N=N1	REAL250004603813	0	30	-1.0	-42.82	260.15	5.51	-37.31
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=NN=N[N-]1	REAL250004603813	1	30	-1.0	-42.92	260.06	5.53	-37.39
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=N[N-]N=N1	REAL250004603814	0	35	-1.0	-45.33	263.91	6.32	-39.01
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=NN=N[N-]1	REAL250004603814	1	35	-1.0	-45.40	263.82	6.33	-39.07
CC(=CC(=O)NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004603815	0	29	-1.0	-43.84	270.09	6.46	-37.38
CC(=CC(=O)NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004603815	1	29	-1.0	-43.92	269.99	6.47	-37.45
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603816	0	29	-1.0	-44.88	263.68	6.27	-38.61
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603816	1	29	-1.0	-44.99	263.58	6.28	-38.71
CCCCCCCCCC=CC(=O)NC1=N[N-]N=N1	REAL250004603817	0	41	-1.0	-43.99	337.27	8.33	-35.66
CCCCCCCCCC=CC(=O)NC1=NN=N[N-]1	REAL250004603817	1	41	-1.0	-44.04	337.17	8.34	-35.70
CC1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004603818	0	22	-1.0	-41.21	222.01	3.37	-37.84
CC1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004603818	1	22	-1.0	-41.14	222.10	3.35	-37.79
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004603819	0	29	-1.0	-42.74	267.13	6.04	-36.70
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004603819	1	29	-1.0	-42.83	267.03	6.06	-36.77
O=C(NC1=N[N-]N=N1)C1CCCC12CCOCC2	REAL250004603820	0	34	-1.0	-46.55	258.41	3.67	-42.88
O=C(NC1=NN=N[N-]1)C1CCCC12CCOCC2	REAL250004603820	1	34	-1.0	-46.55	258.32	3.68	-42.87
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004603821	0	26	-1.0	-41.30	252.00	1.60	-39.70
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004603821	1	26	-1.0	-41.27	252.24	1.61	-39.66
O=C(NC1=NN=N[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004603822	0	28	-1.0	-51.01	260.70	2.14	-48.87
O=C(NC1=N[N-]N=N1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004603822	1	28	-1.0	-50.90	260.80	2.12	-48.78
O=C(NC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004603823	0	25	-1.0	-48.55	246.37	3.37	-45.18
O=C(NC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004603823	1	25	-1.0	-48.59	246.27	3.38	-45.21
CC1(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004603824	0	30	-1.0	-46.08	265.25	6.42	-39.66
CC1(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004603824	1	30	-1.0	-46.02	265.35	6.40	-39.62
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=NN=N[N-]1	REAL250004603825	0	28	-1.0	-49.08	253.18	4.85	-44.23
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=N[N-]N=N1	REAL250004603825	1	28	-1.0	-48.97	253.27	4.83	-44.14
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCC2)NC1=O	REAL250004603826	0	29	-1.0	-51.48	253.19	2.96	-48.52
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCC2)NC1=O	REAL250004603826	1	29	-1.0	-51.22	253.69	2.99	-48.23
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004603827	0	20	-1.0	-40.42	233.69	4.93	-35.49
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)S1	REAL250004603827	1	20	-1.0	-40.35	233.80	4.92	-35.43
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004603828	0	29	-1.0	-45.18	258.20	4.93	-40.25
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004603828	1	29	-1.0	-45.23	258.11	4.93	-40.30
COC(=O)C1CC2(CC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL250004603829	0	33	-1.0	-47.39	282.50	5.29	-42.10
COC(=O)C1CC2(CC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL250004603829	1	33	-1.0	-47.45	282.40	5.30	-42.15
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL250004603830	0	23	-1.0	-41.26	239.22	5.21	-36.05
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL250004603830	1	23	-1.0	-41.17	239.31	5.20	-35.97
CC(=O)NC1=CN=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603831	0	29	-1.0	-50.39	254.93	1.59	-48.80
CC(=O)NC1=CN=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603831	1	29	-1.0	-50.36	255.03	1.58	-48.78
CC1CCCN2C(CC(=O)NC3=N[N-]N=N3)=CN=C12	REAL250004603832	0	33	-1.0	-50.97	275.37	5.01	-45.96
CC1CCCN2C(CC(=O)NC3=NN=N[N-]3)=CN=C12	REAL250004603832	1	33	-1.0	-51.01	275.27	5.03	-45.98
CC1=CC(C)=NC2=C(C(=O)NC3=NN=N[N-]3)C=CN21	REAL250004603833	0	29	-1.0	-61.46	258.74	5.70	-55.76
CC1=CC(C)=NC2=C(C(=O)NC3=N[N-]N=N3)C=CN21	REAL250004603833	1	29	-1.0	-61.34	258.85	5.69	-55.65
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C(Cl)S1	REAL250004603834	0	25	-1.0	-42.79	249.55	3.47	-39.32
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C(Cl)S1	REAL250004603834	1	25	-1.0	-42.69	249.65	3.46	-39.23
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=N[N-]N=N1	REAL250004603835	0	32	-1.0	-47.17	284.30	2.49	-44.68
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=NN=N[N-]1	REAL250004603835	1	32	-1.0	-47.27	284.21	2.51	-44.76
O=C(CSCCC(F)(F)F)NC1=N[N-]N=N1	REAL250004603836	0	23	-1.0	-44.37	236.29	4.01	-40.36
O=C(CSCCC(F)(F)F)NC1=NN=N[N-]1	REAL250004603836	1	23	-1.0	-44.54	236.20	4.01	-40.53
CC(CCNC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603837	0	39	-1.0	-45.62	316.32	2.56	-43.06
CC(CCNC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603837	1	39	-1.0	-45.70	316.23	2.58	-43.12
C[C@H](C(=O)NC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004603838	0	36	-1.0	-45.18	290.46	3.79	-41.39
C[C@H](C(=O)NC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004603838	1	36	-1.0	-45.19	290.37	3.81	-41.38
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004603839	0	28	-1.0	-55.39	271.51	4.55	-50.84
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004603839	1	28	-1.0	-55.42	271.41	4.56	-50.86
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL250004603840	0	29	-1.0	-65.37	260.53	3.46	-61.91
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL250004603840	1	29	-1.0	-65.46	260.44	3.47	-61.99
O=C(NC1=NN=N[N-]1)C1=NC(Br)=CS1	REAL250004603841	0	16	-1.0	-45.18	196.36	1.37	-43.81
O=C(NC1=N[N-]N=N1)C1=NC(Br)=CS1	REAL250004603841	1	16	-1.0	-45.09	196.46	1.35	-43.74
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004603842	0	37	-1.0	-53.24	305.11	4.18	-49.06
CN(C(=O)OC(C)(C)C)C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004603842	1	37	-1.0	-53.25	305.01	4.21	-49.04
CC(C)(OCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004603843	0	26	-1.0	-49.31	238.01	3.38	-45.93
CC(C)(OCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004603843	1	26	-1.0	-49.38	237.92	3.39	-45.99
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004603844	0	28	-1.0	-45.56	250.58	4.47	-41.09
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004603844	1	28	-1.0	-45.54	250.67	4.47	-41.07
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2OC1	REAL250004603845	0	26	-1.0	-42.75	250.08	4.82	-37.93
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL250004603845	1	26	-1.0	-42.80	249.97	4.82	-37.98
CC1=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004603846	0	28	-1.0	-56.31	251.48	4.66	-51.65
CC1=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004603846	1	28	-1.0	-56.27	251.58	4.66	-51.61
CS(=O)(=O)C1CCCC1C(=O)NC1=N[N-]N=N1	REAL250004603847	0	29	-1.0	-54.20	256.27	0.83	-53.37
CS(=O)(=O)C1CCCC1C(=O)NC1=NN=N[N-]1	REAL250004603847	1	29	-1.0	-54.30	256.17	0.84	-53.46
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(C2CC2)C=C1	REAL250004603848	0	31	-1.0	-43.75	268.97	4.60	-39.15
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(C2CC2)C=C1	REAL250004603848	1	31	-1.0	-43.81	268.88	4.62	-39.19
COC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004603849	0	24	-1.0	-47.09	233.10	3.07	-44.02
COC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004603849	1	24	-1.0	-47.04	233.20	3.03	-44.01
CC1=CC=CC=C1C(C(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004603850	0	42	-1.0	-46.13	325.91	8.49	-37.64
CC1=CC=CC=C1C(C(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004603850	1	42	-1.0	-46.20	325.77	8.50	-37.70
CC1=CC=C2C(=C1)CC(C(=O)NC1=N[N-]N=N1)S2(=O)=O	REAL250004603852	0	30	-1.0	-50.98	274.74	2.31	-48.67
CC1=CC=C2C(=C1)CC(C(=O)NC1=NN=N[N-]1)S2(=O)=O	REAL250004603852	1	30	-1.0	-51.03	274.65	2.32	-48.71
O=C(CC(NC1CC1)C(F)(F)F)NC1=N[N-]N=N1	REAL250004603853	0	28	-1.0	-42.44	255.47	2.30	-40.14
O=C(CC(NC1CC1)C(F)(F)F)NC1=NN=N[N-]1	REAL250004603853	1	28	-1.0	-42.51	255.38	2.31	-40.20
COC1=CC=CC=C1C1=C(C(=O)NC2=NN=N[N-]2)C=NO1	REAL250004603854	0	30	-1.0	-44.26	270.76	4.33	-39.93
COC1=CC=CC=C1C1=C(C(=O)NC2=N[N-]N=N2)C=NO1	REAL250004603854	1	30	-1.0	-44.24	270.86	4.31	-39.93
CC1=C(C(=O)NC2=N[N-]N=N2)C(CC2=CC=CC=C2)=NO1	REAL250004603855	0	32	-1.0	-42.87	292.27	6.38	-36.49
CC1=C(C(=O)NC2=NN=N[N-]2)C(CC2=CC=CC=C2)=NO1	REAL250004603855	1	32	-1.0	-42.95	292.17	6.41	-36.54
COC1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004603856	0	31	-1.0	-44.02	271.29	3.67	-40.35
COC1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004603856	1	31	-1.0	-43.97	271.39	3.66	-40.31
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL250004603857	0	24	-1.0	-41.38	243.71	4.30	-37.08
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL250004603857	1	24	-1.0	-41.33	243.81	4.28	-37.05
O=C(NC1=NN=N[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL250004603858	0	28	-1.0	-45.93	249.74	3.67	-42.26
O=C(NC1=N[N-]N=N1)C1=CC=C(C2(F)COC2)C=C1	REAL250004603858	1	28	-1.0	-45.90	249.83	3.64	-42.26
CC1=C(Cl)C2=NC=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004603859	0	28	-1.0	-43.55	258.18	5.36	-38.19
CC1=C(Cl)C2=NC=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004603859	1	28	-1.0	-43.45	258.28	5.36	-38.09
O=C(NC1=N[N-]N=N1)C1CCOC2(CCOCC2)C1	REAL250004603860	0	35	-1.0	-44.62	270.16	2.36	-42.26
O=C(NC1=NN=N[N-]1)C1CCOC2(CCOCC2)C1	REAL250004603860	1	35	-1.0	-44.70	270.07	2.38	-42.32
O=C(NC1=NN=N[N-]1)C1=CC2=C(SC=C2)S1	REAL250004603861	0	20	-1.0	-42.78	216.90	4.28	-38.50
COC1=NN2C(=NN=C2CCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004603862	0	31	-1.0	-49.02	283.02	2.04	-46.98
COC1=NN2C(=NN=C2CCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004603862	1	31	-1.0	-49.09	282.92	2.05	-47.04
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603864	0	42	-1.0	-40.57	332.73	3.57	-37.00
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603864	1	42	-1.0	-40.66	332.64	3.59	-37.07
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL250004603865	0	30	-1.0	-50.86	264.03	5.88	-44.98
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL250004603865	1	30	-1.0	-50.83	264.14	5.87	-44.96
O=C(NC1=N[N-]N=N1)C(F)(F)C(F)(F)OC(F)(F)F	REAL250004603866	0	20	-1.0	-33.79	222.90	1.49	-32.30
O=C(NC1=NN=N[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL250004603866	1	20	-1.0	-33.88	222.81	1.50	-32.38
O=C(NC1=N[N-]N=N1)C1CC(=O)C2=CC=CC=C2O1	REAL250004603867	0	27	-1.0	-44.93	246.65	4.55	-40.38
O=C(NC1=NN=N[N-]1)C1CC(=O)C2=CC=CC=C2O1	REAL250004603867	1	27	-1.0	-45.00	246.56	4.56	-40.44
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Br)S1	REAL250004603868	0	20	-1.0	-41.21	217.28	4.25	-36.96
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Br)S1	REAL250004603868	1	20	-1.0	-41.12	217.38	4.24	-36.88
COC1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)OC2=C1	REAL250004603869	0	30	-1.0	-42.71	268.97	4.14	-38.57
COC1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)OC2=C1	REAL250004603869	1	30	-1.0	-42.66	269.08	4.13	-38.53
O=C(NC1=NN=N[N-]1)C1=CC2=CC=NC=C2C(=O)N1	REAL250004603870	0	25	-1.0	-41.80	233.33	1.35	-40.45
O=C(NC1=N[N-]N=N1)C1=CC2=CC=NC=C2C(=O)N1	REAL250004603870	1	25	-1.0	-41.73	233.43	1.35	-40.38
O=C(NC1=N[N-]N=N1)C(F)(F)C1(O)CCOCC1	REAL250004603871	0	28	-1.0	-35.26	237.74	0.49	-34.77
O=C(NC1=NN=N[N-]1)C(F)(F)C1(O)CCOCC1	REAL250004603871	1	28	-1.0	-35.34	237.64	0.50	-34.84
O=C(CS(=O)(=O)CCC(F)(F)F)NC1=N[N-]N=N1	REAL250004603872	0	25	-1.0	-58.27	254.76	0.57	-57.70
O=C(CS(=O)(=O)CCC(F)(F)F)NC1=NN=N[N-]1	REAL250004603872	1	25	-1.0	-58.33	254.67	0.57	-57.76
CN(C)C1=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2N1	REAL250004603873	0	31	-1.0	-52.85	269.82	5.52	-47.33
CN(C)C1=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2N1	REAL250004603873	1	31	-1.0	-52.79	269.92	5.52	-47.27
CC1=CC(O)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603874	1	24	-1.0	-42.40	230.44	2.20	-40.20
CC1=CC(O)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603874	1	24	-1.0	-42.29	230.54	2.19	-40.10
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=NC=CC=C12	REAL250004603875	0	25	-1.0	-41.45	229.34	1.99	-39.46
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC2=NC=CC=C12	REAL250004603875	1	25	-1.0	-41.37	229.44	1.98	-39.39
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC2=CNN=C21	REAL250004603876	0	23	-1.0	-59.86	233.95	2.84	-57.02
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC2=CNN=C21	REAL250004603876	1	23	-1.0	-59.81	234.05	2.83	-56.98
O=C(NC1=N[N-]N=N1)C1=NC2=C(COCC2)S1	REAL250004603877	0	24	-1.0	-46.66	229.54	1.04	-45.62
O=C(NC1=NN=N[N-]1)C1=NC2=C(COCC2)S1	REAL250004603877	1	24	-1.0	-46.72	229.44	1.06	-45.66
CCC(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004603878	0	35	-1.0	-46.36	285.64	7.08	-39.28
CCC(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004603878	1	35	-1.0	-46.43	285.55	7.09	-39.34
CC(C)=CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1O	REAL250004603879	0	34	-1.0	-45.43	291.18	4.40	-41.03
CC(C)=CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1O	REAL250004603879	1	34	-1.0	-45.38	291.28	4.40	-40.98
O=C(NC1=NN=N[N-]1)C1=COC2=C1NC(=O)CCC2	REAL250004603880	0	28	-1.0	-50.89	247.46	1.47	-49.42
O=C(NC1=N[N-]N=N1)C1=COC2=C1NC(=O)CCC2	REAL250004603880	1	28	-1.0	-50.79	247.56	1.44	-49.35
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL250004603881	0	34	-1.0	-59.75	295.41	7.33	-52.42
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL250004603881	1	34	-1.0	-59.73	295.51	7.31	-52.42
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004603882	0	26	-1.0	-45.89	250.65	5.57	-40.32
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004603882	1	26	-1.0	-45.96	250.56	5.59	-40.37
CC1=CC=CC2=C(C(=O)NC3=NN=N[N-]3)N=CC=C12	REAL250004603883	0	28	-1.0	-47.86	243.45	4.86	-43.00
CC1=CC=CC2=C(C(=O)NC3=N[N-]N=N3)N=CC=C12	REAL250004603883	1	28	-1.0	-47.83	243.54	4.86	-42.97
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL250004603884	0	25	-1.0	-47.36	241.33	4.63	-42.73
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1Cl	REAL250004603884	1	25	-1.0	-47.29	241.43	4.63	-42.66
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL250004603885	0	25	-1.0	-45.94	247.72	4.71	-41.23
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL250004603885	1	25	-1.0	-45.84	247.82	4.70	-41.14
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL250004603886	0	26	-1.0	-51.10	242.94	3.22	-47.88
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2NC1=O	REAL250004603886	1	26	-1.0	-51.04	243.03	3.21	-47.83
O=C(NC1=NN=N[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL250004603887	0	25	-1.0	-51.09	230.52	4.38	-46.71
O=C(NC1=N[N-]N=N1)C1=CN=CC2=CC=C(F)C=C21	REAL250004603887	1	25	-1.0	-50.99	230.62	4.38	-46.61
COC1=C(Br)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603888	0	24	-1.0	-46.47	237.01	5.00	-41.47
COC1=C(Br)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603888	1	24	-1.0	-46.41	237.10	4.99	-41.42
N#CC1=CNC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C12	REAL250004603889	0	25	-1.0	-44.01	237.69	4.47	-39.54
N#CC1=CNC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C12	REAL250004603889	1	25	-1.0	-43.92	237.79	4.47	-39.45
NC1=C2C=CN(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004603890	0	29	-1.0	-49.71	260.04	3.83	-45.88
NC1=C2C=CN(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004603890	1	29	-1.0	-49.61	260.13	3.82	-45.79
CCC(=O)N1CSC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603892	0	28	-1.0	-51.90	251.04	3.87	-48.03
CCC(=O)N1CSC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603892	1	28	-1.0	-52.00	250.95	3.87	-48.13
CC(C)OC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004603893	0	30	-1.0	-49.04	268.49	5.22	-43.82
CC(C)OC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004603893	1	30	-1.0	-48.96	268.58	5.19	-43.77
O=C(CC1=CN=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004603894	0	22	-1.0	-45.10	228.32	3.29	-41.81
O=C(CC1=CN=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004603894	1	22	-1.0	-45.17	228.22	3.31	-41.86
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1(C)CC1	REAL250004603895	0	40	-1.0	-40.30	316.10	3.35	-36.95
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1(C)CC1	REAL250004603895	1	40	-1.0	-40.29	316.01	3.36	-36.93
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004603896	0	40	-1.0	-44.93	321.84	3.24	-41.69
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004603896	1	40	-1.0	-45.01	321.75	3.25	-41.76
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CNN=C2)C=C1	REAL250004603897	0	27	-1.0	-49.56	244.43	3.80	-45.76
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CNN=C2)C=C1	REAL250004603897	1	27	-1.0	-49.51	244.53	3.78	-45.73
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=N[N-]N=N2)C1	REAL250004603898	0	35	-1.0	-45.31	295.01	3.72	-41.59
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=NN=N[N-]2)C1	REAL250004603898	1	35	-1.0	-45.36	294.91	3.73	-41.63
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=N[N-]N=N2)C1	REAL250004603899	0	38	-1.0	-45.10	307.12	4.69	-40.41
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=NN=N[N-]2)C1	REAL250004603899	1	38	-1.0	-45.14	307.02	4.68	-40.46
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603900	0	37	-1.0	-40.56	304.65	2.64	-37.92
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603900	1	37	-1.0	-40.63	304.56	2.66	-37.97
CC1=CC(F)=CC=C1C(O)C(=O)NC1=N[N-]N=N1	REAL250004603901	0	27	-1.0	-42.54	236.36	3.25	-39.29
CC1=CC(F)=CC=C1C(O)C(=O)NC1=NN=N[N-]1	REAL250004603901	1	27	-1.0	-42.60	236.27	3.26	-39.34
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004603902	0	37	-1.0	-42.24	298.98	-0.96	-43.20
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004603902	1	37	-1.0	-42.34	298.89	-0.95	-43.29
CC(=O)C1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004603903	0	29	-1.0	-59.40	264.66	4.20	-55.20
CC(=O)C1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004603903	1	29	-1.0	-59.31	264.76	4.19	-55.12
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004603904	0	40	-1.0	-44.93	316.36	4.70	-40.23
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004603904	1	40	-1.0	-45.00	316.27	4.72	-40.28
O=C(NC1=NN=N[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004603905	0	25	-1.0	-44.89	233.92	1.00	-43.89
O=C(NC1=N[N-]N=N1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004603905	1	25	-1.0	-44.79	234.02	0.99	-43.80
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004603906	0	30	-1.0	-44.19	259.92	2.93	-41.26
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004603906	1	30	-1.0	-44.13	260.01	2.92	-41.21
COC(=O)C1=CC(OC)=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603907	0	29	-1.0	-43.32	270.10	2.03	-41.29
COC(=O)C1=CC(OC)=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603907	1	29	-1.0	-43.28	270.20	2.00	-41.28
COC1=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004603908	0	29	-1.0	-61.95	261.12	3.49	-58.46
COC1=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004603908	1	29	-1.0	-61.89	261.22	3.48	-58.41
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004603909	0	30	-1.0	-41.71	257.96	5.56	-36.15
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004603909	1	30	-1.0	-41.79	257.87	5.57	-36.22
COCC1(CC(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004603910	0	34	-1.0	-42.05	263.34	1.80	-40.25
COCC1(CC(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004603910	1	34	-1.0	-42.16	263.24	1.81	-40.35
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004603911	0	30	-1.0	-46.72	273.98	4.19	-42.53
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004603911	1	30	-1.0	-46.68	274.08	4.19	-42.49
CC1=NC2=C(C(=O)NC3=NN=N[N-]3)C=NN2C(C(F)F)=C1	REAL250004603912	0	28	-1.0	-54.31	266.09	4.10	-50.21
CC1=NC2=C(C(=O)NC3=N[N-]N=N3)C=NN2C(C(F)F)=C1	REAL250004603912	1	28	-1.0	-54.24	266.20	4.09	-50.15
O=C(NC1=N[N-]N=N1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL250004603913	0	35	-1.0	-53.02	291.27	5.47	-47.55
O=C(NC1=NN=N[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL250004603913	1	35	-1.0	-53.06	291.18	5.48	-47.58
CCC(C)C(=O)N1CSC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603914	0	34	-1.0	-53.78	285.27	4.80	-48.98
CCC(C)C(=O)N1CSC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603914	1	34	-1.0	-53.86	285.18	4.81	-49.05
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL250004603915	0	23	-1.0	-43.06	225.94	3.00	-40.06
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C1Cl)OCO2	REAL250004603915	1	23	-1.0	-43.00	226.04	2.99	-40.01
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)N=C2CCCCN21	REAL250004603916	0	36	-1.0	-50.91	284.93	5.44	-45.47
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)N=C2CCCCN21	REAL250004603916	1	36	-1.0	-50.99	284.65	5.46	-45.53
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004603917	0	32	-1.0	-42.47	264.53	5.24	-37.23
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004603917	1	32	-1.0	-42.39	264.63	5.23	-37.16
CC(C)[C@@H]1C[C@H](CC(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004603918	0	39	-1.0	-43.35	307.38	7.86	-35.49
CC(C)[C@@H]1C[C@H](CC(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004603918	1	39	-1.0	-43.43	307.29	7.87	-35.56
CC(=O)C1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2S1	REAL250004603919	0	28	-1.0	-56.85	269.75	5.55	-51.30
CC(=O)C1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2S1	REAL250004603919	1	28	-1.0	-56.81	269.84	5.54	-51.27
COC1=CC=CC2=C1CC(C(=O)NC1=N[N-]N=N1)CO2	REAL250004603920	0	32	-1.0	-45.25	270.49	3.68	-41.57
COC1=CC=CC2=C1CC(C(=O)NC1=NN=N[N-]1)CO2	REAL250004603920	1	32	-1.0	-45.33	270.39	3.70	-41.63
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC=C1F	REAL250004603921	0	27	-1.0	-42.35	247.18	4.42	-37.93
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC=C1F	REAL250004603921	1	27	-1.0	-42.28	247.28	4.40	-37.88
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC=C1Cl	REAL250004603922	0	27	-1.0	-41.95	255.88	4.82	-37.13
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC=C1Cl	REAL250004603922	1	27	-1.0	-41.92	255.98	4.80	-37.12
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004603923	0	27	-1.0	-45.69	239.33	2.92	-42.77
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004603923	1	27	-1.0	-45.65	239.42	2.91	-42.74
CC1=CC=C(N2N=C(C(=O)NC3=N[N-]N=N3)CCC2=O)C=C1	REAL250004603924	0	34	-1.0	-41.97	298.22	5.13	-36.84
CC1=CC=C(N2N=C(C(=O)NC3=NN=N[N-]3)CCC2=O)C=C1	REAL250004603924	1	34	-1.0	-42.05	298.12	5.14	-36.91
O=C(NC1=N[N-]N=N1)C1CCC2C(CC1)C2(F)F	REAL250004603925	0	30	-1.0	-42.88	246.91	5.35	-37.53
O=C(NC1=NN=N[N-]1)C1CCC2C(CC1)C2(F)F	REAL250004603925	1	30	-1.0	-43.01	246.82	5.37	-37.64
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004603926	0	30	-1.0	-42.40	259.72	4.92	-37.48
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004603926	1	30	-1.0	-42.43	259.63	4.93	-37.50
COCCOCCN1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603927	0	34	-1.0	-48.66	303.49	1.75	-46.91
COCCOCCN1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603927	1	34	-1.0	-48.57	303.59	1.73	-46.84
COCCOCCN1N=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004603928	0	34	-1.0	-47.00	298.81	1.65	-45.35
COCCOCCN1N=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004603928	1	34	-1.0	-46.94	298.90	1.65	-45.29
O=C(NC1=NN=N[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL250004603929	0	36	-1.0	-45.92	311.70	9.05	-36.87
O=C(NC1=N[N-]N=N1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL250004603929	1	36	-1.0	-45.85	311.80	9.03	-36.82
O=C(NC1=NN=N[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL250004603930	0	26	-1.0	-48.02	253.97	3.60	-44.42
O=C(NC1=N[N-]N=N1)C1=NN(CCC(F)(F)F)C=C1	REAL250004603930	1	26	-1.0	-47.92	254.07	3.58	-44.34
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL250004603931	0	26	-1.0	-46.12	251.59	5.59	-40.53
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL250004603931	1	26	-1.0	-46.03	251.69	5.57	-40.46
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004603932	0	26	-1.0	-44.10	249.88	4.58	-39.52
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004603932	1	26	-1.0	-44.04	249.98	4.58	-39.46
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=N[N-]N=N1	REAL250004603933	0	34	-1.0	-48.44	276.90	5.82	-42.62
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=NN=N[N-]1	REAL250004603933	1	34	-1.0	-48.50	276.81	5.83	-42.67
O=C(NC1=N[N-]N=N1)C(CC1CCCCC1)C1=CC=CC=C1	REAL250004603934	0	42	-1.0	-44.13	330.24	8.81	-35.32
O=C(NC1=NN=N[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL250004603934	1	42	-1.0	-44.26	330.14	8.82	-35.44
CC(C(=O)NC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004603935	0	32	-1.0	-46.04	274.70	6.54	-39.50
CC(C(=O)NC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004603935	1	32	-1.0	-46.14	274.61	6.57	-39.57
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL250004603936	0	33	-1.0	-44.88	278.48	7.33	-37.55
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2CCC2)C=C1	REAL250004603936	1	33	-1.0	-44.78	278.57	7.31	-37.47
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL250004603937	0	24	-1.0	-43.46	239.60	3.69	-39.77
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL250004603937	1	24	-1.0	-43.39	239.70	3.67	-39.72
CN(C)C1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2O1	REAL250004603938	0	30	-1.0	-47.11	266.58	2.39	-44.72
CN(C)C1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2O1	REAL250004603938	1	30	-1.0	-47.03	266.68	2.39	-44.64
CS(=N)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603939	0	27	-1.0	-53.10	252.59	0.45	-52.65
CS(=N)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603939	1	27	-1.0	-53.18	252.49	0.47	-52.71
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL250004603941	0	23	-1.0	-39.93	232.74	4.62	-35.31
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL250004603941	1	23	-1.0	-39.95	232.65	4.64	-35.31
CC1=C(Br)C(C(=O)NC2=N[N-]N=N2)=NN1C	REAL250004603942	0	23	-1.0	-48.48	231.00	2.67	-45.81
CC1=C(Br)C(C(=O)NC2=NN=N[N-]2)=NN1C	REAL250004603942	1	23	-1.0	-48.52	230.90	2.67	-45.85
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL250004603943	0	23	-1.0	-46.63	233.23	4.86	-41.77
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL250004603943	1	23	-1.0	-46.52	233.33	4.86	-41.66
CC(=O)NCC1(CC(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004603944	0	39	-1.0	-53.13	295.84	3.56	-49.57
CC(=O)NCC1(CC(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004603944	1	39	-1.0	-53.23	295.76	3.57	-49.66
CC1(C)CC(C(=O)NC2=N[N-]N=N2)CC(C)(C)O1	REAL250004603945	0	36	-1.0	-42.40	279.33	4.29	-38.11
CC1(C)CC(C(=O)NC2=NN=N[N-]2)CC(C)(C)O1	REAL250004603945	1	36	-1.0	-42.51	279.24	4.31	-38.20
O=C(NC1=NN=N[N-]1)C1=CC=NC(Br)=C1F	REAL250004603946	0	19	-1.0	-45.45	208.01	2.62	-42.83
O=C(NC1=N[N-]N=N1)C1=CC=NC(Br)=C1F	REAL250004603946	1	19	-1.0	-45.42	208.10	2.60	-42.82
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004603947	0	26	-1.0	-41.99	247.69	1.74	-40.25
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004603947	1	26	-1.0	-42.04	247.60	1.74	-40.30
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004603948	0	27	-1.0	-46.14	268.21	4.87	-41.27
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004603948	1	27	-1.0	-46.20	268.12	4.88	-41.32
CS(C)(=O)=NC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004603949	0	26	-1.0	-64.06	257.97	0.10	-63.96
CS(C)(=O)=NC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004603949	1	26	-1.0	-64.12	257.88	0.10	-64.02
CC(C)CC(=O)N1CCCCC1C(=O)NC1=N[N-]N=N1	REAL250004603950	0	39	-1.0	-58.92	302.77	6.01	-52.91
CC(C)CC(=O)N1CCCCC1C(=O)NC1=NN=N[N-]1	REAL250004603950	1	39	-1.0	-58.99	302.68	6.03	-52.96
O=C(NC1=N[N-]N=N1)C12CCC(CC(=O)C1)S2(=O)=O	REAL250004603951	0	29	-1.0	-54.37	252.85	0.52	-53.85
O=C(NC1=NN=N[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL250004603951	1	29	-1.0	-54.39	252.75	0.53	-53.86
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCOCC1	REAL250004603952	0	35	-1.0	-47.23	267.22	2.61	-44.62
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCOCC1	REAL250004603952	1	35	-1.0	-47.28	267.13	2.64	-44.64
O=C(NC1=N[N-]N=N1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004603953	0	37	-1.0	-45.30	284.77	7.51	-37.79
O=C(NC1=NN=N[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004603953	1	37	-1.0	-45.38	284.66	7.53	-37.85
O=C(CC1=CC(O)=CC(Br)=C1)NC1=N[N-]N=N1	REAL250004603954	0	24	-1.0	-44.52	244.47	2.24	-42.28
O=C(CC1=CC(O)=CC(Br)=C1)NC1=NN=N[N-]1	REAL250004603954	1	24	-1.0	-44.55	244.38	2.25	-42.30
O=C(CCCCC1=CC=CC(O)=C1)NC1=N[N-]N=N1	REAL250004603955	0	33	-1.0	-46.23	287.57	3.98	-42.25
O=C(CCCCC1=CC=CC(O)=C1)NC1=NN=N[N-]1	REAL250004603955	1	33	-1.0	-46.31	287.47	4.00	-42.31
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC(O)C1	REAL250004603956	0	38	-1.0	-54.09	313.35	-1.01	-55.10
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC(O)C1	REAL250004603956	1	38	-1.0	-54.20	313.26	-1.00	-55.20
O=C(C=CCCCCCCCO)NC1=N[N-]N=N1	REAL250004603957	0	36	-1.0	-46.89	305.69	3.44	-43.45
O=C(C=CCCCCCCCO)NC1=NN=N[N-]1	REAL250004603957	1	36	-1.0	-46.96	305.59	3.45	-43.51
COC1(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)COC1	REAL250004603958	0	32	-1.0	-45.34	267.82	3.12	-42.22
COC1(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)COC1	REAL250004603958	1	32	-1.0	-45.26	267.92	3.10	-42.16
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=N[N-]N=N1	REAL250004603959	0	30	-1.0	-49.18	270.15	3.67	-45.51
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=NN=N[N-]1	REAL250004603959	1	30	-1.0	-49.25	270.06	3.68	-45.57
CCC1=NC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004603960	0	24	-1.0	-40.86	235.81	2.96	-37.90
CCC1=NC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603960	1	24	-1.0	-40.90	235.72	2.96	-37.94
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL250004603961	0	27	-1.0	-51.53	263.18	6.17	-45.36
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL250004603961	1	27	-1.0	-51.59	263.09	6.17	-45.42
O=C(NC1=N[N-]N=N1)C1(C2CCCO2)CCCC1	REAL250004603962	0	34	-1.0	-41.58	260.69	4.30	-37.28
O=C(NC1=NN=N[N-]1)C1(C2CCCO2)CCCC1	REAL250004603962	1	34	-1.0	-41.65	260.60	4.32	-37.33
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=N[N-]N=N1)=C2	REAL250004603963	0	36	-1.0	-54.24	288.23	4.33	-49.91
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=NN=N[N-]1)=C2	REAL250004603963	1	36	-1.0	-54.30	288.13	4.33	-49.97
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC=CCO1	REAL250004603964	0	25	-1.0	-38.67	228.97	2.91	-35.76
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC=CCO1	REAL250004603964	1	25	-1.0	-38.72	228.87	2.92	-35.80
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004603965	0	41	-1.0	-42.83	325.10	8.07	-34.76
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004603965	1	41	-1.0	-42.86	325.00	8.10	-34.76
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC12CCOC2	REAL250004603966	0	32	-1.0	-51.83	253.68	-0.36	-52.19
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC12CCOC2	REAL250004603966	1	32	-1.0	-51.93	253.59	-0.34	-52.27
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCCC2=C1	REAL250004603967	0	28	-1.0	-44.44	249.99	5.99	-38.45
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCCC2=C1	REAL250004603967	1	28	-1.0	-44.39	250.09	5.99	-38.40
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCCCC2=C1	REAL250004603968	0	31	-1.0	-43.56	266.93	6.61	-36.95
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCCCC2=C1	REAL250004603968	1	31	-1.0	-43.49	267.09	6.60	-36.89
COC(=O)CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004603969	0	32	-1.0	-47.97	285.75	6.05	-41.92
COC(=O)CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004603969	1	32	-1.0	-47.93	285.85	6.04	-41.89
CC(C)=CCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL250004603970	0	33	-1.0	-42.40	287.79	7.27	-35.13
CC(C)=CCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL250004603970	1	33	-1.0	-42.34	287.89	7.24	-35.10
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)N1	REAL250004603971	0	21	-1.0	-40.70	228.29	3.44	-37.26
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)N1	REAL250004603971	1	21	-1.0	-40.63	228.40	3.43	-37.20
O=C(NC1=NN=N[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004603972	0	27	-1.0	-45.63	254.15	3.36	-42.27
O=C(NC1=N[N-]N=N1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004603972	1	27	-1.0	-45.62	254.24	3.35	-42.27
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004603973	0	28	-1.0	-49.44	253.24	4.84	-44.60
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004603973	1	28	-1.0	-49.36	253.33	4.82	-44.54
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCOCC1	REAL250004603974	0	31	-1.0	-39.11	252.04	1.93	-37.18
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCOCC1	REAL250004603974	1	31	-1.0	-39.17	252.01	1.95	-37.22
CC(C)(C)C1=NN(CC(=O)NC2=N[N-]N=N2)N=N1	REAL250004603975	0	30	-1.0	-50.01	266.20	2.11	-47.90
CC(C)(C)C1=NN(CC(=O)NC2=NN=N[N-]2)N=N1	REAL250004603975	1	30	-1.0	-50.08	266.11	2.12	-47.96
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL250004603976	0	31	-1.0	-43.49	282.08	6.88	-36.61
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC1CC1	REAL250004603976	1	31	-1.0	-43.42	282.16	6.87	-36.55
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL250004603977	0	30	-1.0	-45.85	278.23	7.74	-38.11
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL250004603977	1	30	-1.0	-45.82	278.33	7.73	-38.09
O=C(NC1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL250004603978	0	24	-1.0	-52.13	235.87	3.33	-48.80
O=C(NC1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL250004603978	1	24	-1.0	-52.07	235.97	3.31	-48.76
COC1=NC=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004603979	0	23	-1.0	-47.79	238.16	0.96	-46.83
COC1=NC=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004603979	1	23	-1.0	-47.75	238.25	0.95	-46.80
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL250004603980	0	34	-1.0	-46.44	284.78	7.35	-39.09
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL250004603980	1	34	-1.0	-46.51	284.69	7.36	-39.15
CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL250004603981	0	26	-1.0	-44.37	246.36	5.66	-38.71
CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL250004603981	1	26	-1.0	-44.34	246.46	5.65	-38.69
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL250004603982	0	30	-1.0	-47.13	266.84	4.27	-42.86
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL250004603982	1	30	-1.0	-47.10	266.94	4.27	-42.83
O=C(NC1=NN=N[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL250004603983	0	23	-1.0	-49.11	225.90	4.28	-44.83
O=C(NC1=N[N-]N=N1)C1=COC2=CC(F)=CC(F)=C12	REAL250004603983	1	23	-1.0	-49.04	226.00	4.26	-44.78
N#CC1=C2N=CC(C(=O)NC3=NN=N[N-]3)=CN2N=C1	REAL250004603984	0	23	-1.0	-43.01	231.00	3.18	-39.83
N#CC1=C2N=CC(C(=O)NC3=N[N-]N=N3)=CN2N=C1	REAL250004603984	1	23	-1.0	-42.93	231.10	3.18	-39.75
O=C(NC1=NN=N[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL250004603985	0	30	-1.0	-46.44	272.21	3.95	-42.49
O=C(NC1=N[N-]N=N1)C1=NC=C(OCC2CC2)C=C1F	REAL250004603985	1	30	-1.0	-46.40	272.31	3.94	-42.46
COC1=CC=CC=C1N1C=NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603986	0	31	-1.0	-49.10	280.10	5.61	-43.49
COC1=CC=CC=C1N1C=NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603986	1	31	-1.0	-49.04	280.21	5.59	-43.45
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)N=C1	REAL250004603987	0	32	-1.0	-41.37	273.15	2.50	-38.87
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL250004603987	1	32	-1.0	-41.50	273.05	2.52	-38.98
CC(=O)C1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004603988	0	30	-1.0	-57.28	269.16	4.48	-52.80
CC(=O)C1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004603988	1	30	-1.0	-57.16	269.26	4.47	-52.69
O=C(NC1=N[N-]N=N1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL250004603989	0	35	-1.0	-43.70	305.15	5.48	-38.22
O=C(NC1=NN=N[N-]1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL250004603989	1	35	-1.0	-43.72	305.03	5.48	-38.24
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Br)=C1C	REAL250004603990	0	26	-1.0	-43.01	243.83	5.52	-37.49
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Br)=C1C	REAL250004603990	1	26	-1.0	-42.95	243.92	5.51	-37.44
CC1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL250004603991	0	38	-1.0	-44.55	300.96	5.67	-38.88
CC1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL250004603991	1	38	-1.0	-44.50	301.06	5.67	-38.83
CC1=CC(=O)N2N=CC(C(=O)NC3=NN=N[N-]3)=C2N1	REAL250004603992	0	26	-1.0	-48.26	241.03	2.20	-46.06
CC1=CC(=O)N2N=CC(C(=O)NC3=N[N-]N=N3)=C2N1	REAL250004603992	1	26	-1.0	-48.18	241.13	2.18	-46.00
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004603993	0	31	-1.0	-43.73	266.06	2.79	-40.94
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004603993	1	31	-1.0	-43.74	265.97	2.80	-40.94
CS(=N)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603994	0	27	-1.0	-57.36	253.48	0.62	-56.74
CS(=N)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603994	1	27	-1.0	-57.33	253.57	0.60	-56.73
COC1=CC=C(C(C)C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004603995	0	30	-1.0	-49.83	263.77	4.39	-45.44
COC1=CC=C(C(C)C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004603995	1	30	-1.0	-49.93	263.68	4.41	-45.52
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004603996	0	26	-1.0	-42.82	254.00	2.34	-40.48
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004603996	1	26	-1.0	-42.77	254.10	2.33	-40.44
O=C(COCC1=NC(C2CC2)=NO1)NC1=N[N-]N=N1	REAL250004603997	0	29	-1.0	-54.12	269.59	1.93	-52.19
O=C(COCC1=NC(C2CC2)=NO1)NC1=NN=N[N-]1	REAL250004603997	1	29	-1.0	-54.17	269.49	1.94	-52.23
CN1CCC2=CC(CC(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004603998	0	32	-1.0	-46.76	272.91	4.31	-42.45
CN1CCC2=CC(CC(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004603998	1	32	-1.0	-46.86	272.82	4.33	-42.53
O=C(CN1C=NC(Br)=C1)NC1=N[N-]N=N1	REAL250004603999	0	20	-1.0	-49.03	214.70	4.04	-44.99
O=C(CN1C=NC(Br)=C1)NC1=NN=N[N-]1	REAL250004603999	1	20	-1.0	-49.14	214.61	4.05	-45.09
CCS(=O)(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604000	0	31	-1.0	-50.55	282.25	1.41	-49.14
CCS(=O)(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604000	1	31	-1.0	-50.43	282.36	1.41	-49.02
O=C(NC1=N[N-]N=N1)C1=CN(CCN2CCOCC2)N=N1	REAL250004604001	0	35	-1.0	-45.18	298.49	-0.54	-45.72
O=C(NC1=NN=N[N-]1)C1=CN(CCN2CCOCC2)N=N1	REAL250004604001	1	35	-1.0	-45.28	298.39	-0.52	-45.80
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL250004604002	0	22	-1.0	-45.93	227.45	3.11	-42.82
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1F	REAL250004604002	1	22	-1.0	-45.88	227.55	3.10	-42.78
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CN=C2)=NO1	REAL250004604003	0	25	-1.0	-40.41	241.08	3.03	-37.38
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CN=C2)=NO1	REAL250004604003	1	25	-1.0	-40.32	241.18	3.01	-37.31
O=C(NC1=N[N-]N=N1)C(O)C1=CC(F)=CC(F)=C1	REAL250004604004	0	24	-1.0	-42.41	232.54	2.63	-39.78
O=C(NC1=NN=N[N-]1)C(O)C1=CC(F)=CC(F)=C1	REAL250004604004	1	24	-1.0	-42.43	232.45	2.65	-39.78
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=N[N-]N=N1	REAL250004604005	0	29	-1.0	-41.85	255.86	5.85	-36.00
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=NN=N[N-]1	REAL250004604005	1	29	-1.0	-41.95	255.77	5.86	-36.09
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004604006	0	25	-1.0	-40.50	246.70	5.42	-35.08
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004604006	1	25	-1.0	-40.43	246.80	5.40	-35.03
CC1=CC(C(=O)NC2=NN=N[N-]2)=C2C(=O)CCCC2=N1	REAL250004604007	0	31	-1.0	-54.55	267.50	5.46	-49.09
CC1=CC(C(=O)NC2=N[N-]N=N2)=C2C(=O)CCCC2=N1	REAL250004604007	1	31	-1.0	-54.47	267.60	5.44	-49.03
NC1=NC(C(F)(F)C(=O)NC2=NN=N[N-]2)=CS1	REAL250004604008	0	21	-1.0	-44.29	220.84	1.18	-43.11
NC1=NC(C(F)(F)C(=O)NC2=N[N-]N=N2)=CS1	REAL250004604008	1	21	-1.0	-44.22	220.94	1.17	-43.05
CCOCC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004604009	0	26	-1.0	-46.52	252.21	1.53	-44.99
CCOCC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004604009	1	26	-1.0	-46.60	252.11	1.54	-45.06
CC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004604010	0	30	-1.0	-46.78	260.68	0.90	-45.88
CC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004604010	1	30	-1.0	-46.87	260.57	0.92	-45.95
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL250004604011	0	27	-1.0	-41.32	258.64	4.89	-36.43
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL250004604011	1	27	-1.0	-41.24	258.74	4.87	-36.37
N#CCCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004604012	0	34	-1.0	-51.61	305.86	6.01	-45.60
N#CCCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004604012	1	34	-1.0	-51.68	305.76	6.03	-45.65
O=C(NC1=N[N-]N=N1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL250004604013	0	30	-1.0	-44.28	267.52	6.87	-37.41
O=C(NC1=NN=N[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL250004604013	1	30	-1.0	-44.32	267.43	6.89	-37.43
O=C(NC1=N[N-]N=N1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004604014	0	30	-1.0	-45.39	257.20	6.43	-38.96
O=C(NC1=NN=N[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004604014	1	30	-1.0	-45.43	257.10	6.45	-38.98
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(F)C(F)=C1	REAL250004604015	0	24	-1.0	-45.27	232.44	2.61	-42.66
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(F)C(F)=C1	REAL250004604015	1	24	-1.0	-45.35	232.34	2.63	-42.72
O=C(CC1(N2C=NN=N2)CCSCC1)NC1=NN=N[N-]1	REAL250004604016	0	32	-1.0	-60.64	265.90	4.37	-56.27
O=C(CC1(N2C=NN=N2)CCSCC1)NC1=N[N-]N=N1	REAL250004604016	1	32	-1.0	-60.54	265.99	4.36	-56.18
NC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004604017	0	24	-1.0	-46.14	234.38	1.10	-45.04
NC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004604017	1	24	-1.0	-46.07	234.48	1.09	-44.98
O=C(C=CC1=NC2=CC=CC=C2N=C1)NC1=N[N-]N=N1	REAL250004604018	0	28	-1.0	-46.40	260.83	3.70	-42.70
O=C(C=CC1=NC2=CC=CC=C2N=C1)NC1=NN=N[N-]1	REAL250004604018	1	28	-1.0	-46.50	260.73	3.71	-42.79
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NC1=N[N-]N=N1	REAL250004604019	0	33	-1.0	-49.97	294.34	3.95	-46.02
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NC1=NN=N[N-]1	REAL250004604019	1	33	-1.0	-50.07	294.24	3.95	-46.12
CN1C=C(C=CC(=O)NC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004604020	0	30	-1.0	-54.21	268.32	3.35	-50.86
CN1C=C(C=CC(=O)NC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004604020	1	30	-1.0	-54.25	268.21	3.36	-50.89
CN1N=CC=C1C1=NNC=C1C(=O)NC1=N[N-]N=N1	REAL250004604021	0	27	-1.0	-51.58	250.73	1.40	-50.18
CN1N=CC=C1C1=NNC=C1C(=O)NC1=NN=N[N-]1	REAL250004604021	1	27	-1.0	-51.65	250.64	1.40	-50.25
COC1=NC=CC(C(=O)NC2=NN=N[N-]2)=C1Br	REAL250004604022	0	23	-1.0	-44.89	230.39	1.18	-43.71
COC1=NC=CC(C(=O)NC2=N[N-]N=N2)=C1Br	REAL250004604022	1	23	-1.0	-44.86	230.49	1.17	-43.69
COC1=NSC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004604023	0	24	-1.0	-42.70	241.27	0.99	-41.71
COC1=NSC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004604023	1	24	-1.0	-42.78	241.17	1.00	-41.78
CC(C)CC1=NN=C2C(C(=O)NC3=NN=N[N-]3)=CC=CN12	REAL250004604024	0	34	-1.0	-58.81	290.99	7.10	-51.71
CC(C)CC1=NN=C2C(C(=O)NC3=N[N-]N=N3)=CC=CN12	REAL250004604024	1	34	-1.0	-58.68	291.09	7.08	-51.60
O=C(NC1=N[N-]N=N1)C1=CSC(CC(F)(F)F)=N1	REAL250004604025	0	22	-1.0	-46.59	237.18	2.66	-43.93
O=C(NC1=NN=N[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL250004604025	1	22	-1.0	-46.66	237.08	2.67	-43.99
CC(C)(C)OC1CC(CC(=O)NC2=N[N-]N=N2)C12CCC2	REAL250004604026	0	43	-1.0	-47.56	336.16	6.45	-41.11
CC(C)(C)OC1CC(CC(=O)NC2=NN=N[N-]2)C12CCC2	REAL250004604026	1	43	-1.0	-47.62	336.06	6.46	-41.16
O=C(NC1=NN=N[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL250004604027	0	23	-1.0	-45.15	228.91	4.27	-40.88
O=C(NC1=N[N-]N=N1)C1=COC2=C(F)C=C(F)C=C12	REAL250004604027	1	23	-1.0	-45.06	229.02	4.26	-40.80
CCC1=CC=CC2=CC=C(C(=O)NC3=NN=N[N-]3)N=C21	REAL250004604028	0	31	-1.0	-47.14	272.59	5.82	-41.32
CCC1=CC=CC2=CC=C(C(=O)NC3=N[N-]N=N3)N=C21	REAL250004604028	1	31	-1.0	-47.04	272.68	5.81	-41.23
O=C(NC1=NN=N[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL250004604029	0	30	-1.0	-44.49	274.68	6.70	-37.79
O=C(NC1=N[N-]N=N1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL250004604029	1	30	-1.0	-44.45	274.78	6.69	-37.76
CC1(C(=O)NC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL250004604030	0	29	-1.0	-50.86	241.95	0.39	-50.47
CC1(C(=O)NC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL250004604030	1	29	-1.0	-50.92	241.86	0.41	-50.51
CC(F)(F)C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604031	0	26	-1.0	-54.70	229.54	5.28	-49.42
CC(F)(F)C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604031	1	26	-1.0	-54.63	229.64	5.27	-49.36
CC1(C)CC(C(=O)NC2=N[N-]N=N2)C1C(F)(F)F	REAL250004604032	0	29	-1.0	-48.34	235.74	5.21	-43.13
CC1(C)CC(C(=O)NC2=NN=N[N-]2)C1C(F)(F)F	REAL250004604032	1	29	-1.0	-48.42	235.63	5.21	-43.21
CC1(C(=O)NC2=N[N-]N=N2)CC2=CC=CC=C2NC1=O	REAL250004604033	0	31	-1.0	-43.24	265.33	3.30	-39.94
CC1(C(=O)NC2=NN=N[N-]2)CC2=CC=CC=C2NC1=O	REAL250004604033	1	31	-1.0	-43.27	265.24	3.31	-39.96
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL250004604034	0	36	-1.0	-50.63	294.98	7.44	-43.19
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL250004604034	1	36	-1.0	-50.69	294.88	7.46	-43.23
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL250004604035	0	28	-1.0	-46.69	246.96	2.27	-44.42
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCNC2=O	REAL250004604035	1	28	-1.0	-46.65	247.05	2.25	-44.40
CC(C)N1CC(C(=O)NC2=N[N-]N=N2)CCC1=O	REAL250004604036	0	33	-1.0	-42.97	264.67	3.55	-39.42
CC(C)N1CC(C(=O)NC2=NN=N[N-]2)CCC1=O	REAL250004604036	1	33	-1.0	-43.02	264.58	3.57	-39.45
CCOC(=O)C1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004604037	0	25	-1.0	-47.21	253.80	2.51	-44.70
CCOC(=O)C1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004604037	1	25	-1.0	-47.18	253.90	2.51	-44.67
C[C@@H](CC(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004604038	0	32	-1.0	-42.95	285.72	6.72	-36.23
C[C@@H](CC(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004604038	1	32	-1.0	-43.04	285.63	6.73	-36.31
C[C@@H](CC(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004604039	0	32	-1.0	-45.96	273.02	4.37	-41.59
C[C@@H](CC(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004604039	1	32	-1.0	-46.05	272.92	4.38	-41.67
O=C(CC1CCCC2(CCC2)O1)NC1=N[N-]N=N1	REAL250004604040	0	34	-1.0	-48.94	271.00	5.19	-43.75
O=C(CC1CCCC2(CCC2)O1)NC1=NN=N[N-]1	REAL250004604040	1	34	-1.0	-49.01	270.91	5.20	-43.81
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCCCO1	REAL250004604041	0	27	-1.0	-39.85	236.22	2.87	-36.98
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCCCO1	REAL250004604041	1	27	-1.0	-39.93	236.12	2.89	-37.04
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004604042	0	31	-1.0	-43.74	271.56	4.79	-38.95
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL250004604042	1	31	-1.0	-43.79	271.47	4.80	-38.99
O=C(NC1=N[N-]N=N1)C1=CON=C1C1CCCO1	REAL250004604043	0	27	-1.0	-45.61	241.37	2.07	-43.54
O=C(NC1=NN=N[N-]1)C1=CON=C1C1CCCO1	REAL250004604043	1	27	-1.0	-45.66	241.27	2.08	-43.58
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=N[N-]N=N1)C1CC1	REAL250004604044	0	40	-1.0	-50.06	322.97	3.85	-46.21
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=NN=N[N-]1)C1CC1	REAL250004604044	1	40	-1.0	-50.15	322.88	3.86	-46.29
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=N[N-]N=N1)C1CC1	REAL250004604045	0	40	-1.0	-50.08	322.97	3.85	-46.23
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=NN=N[N-]1)C1CC1	REAL250004604045	1	40	-1.0	-50.17	322.88	3.86	-46.31
CC1=C(Br)C=NN1CC(=O)NC1=N[N-]N=N1	REAL250004604046	0	23	-1.0	-47.34	234.75	2.95	-44.39
CC1=C(Br)C=NN1CC(=O)NC1=NN=N[N-]1	REAL250004604046	1	23	-1.0	-47.44	234.66	2.96	-44.48
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC12CCC2	REAL250004604047	0	31	-1.0	-51.13	250.12	1.73	-49.40
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC12CCC2	REAL250004604047	1	31	-1.0	-51.21	250.03	1.74	-49.47
O=C(CC1COCCN1CC(F)(F)F)NC1=N[N-]N=N1	REAL250004604048	0	32	-1.0	-43.78	270.62	0.99	-42.79
O=C(CC1COCCN1CC(F)(F)F)NC1=NN=N[N-]1	REAL250004604048	1	32	-1.0	-43.85	270.53	1.00	-42.85
O=C(CN1C=C(C2CCOC2)C=N1)NC1=N[N-]N=N1	REAL250004604049	0	31	-1.0	-51.62	269.34	2.60	-49.02
O=C(CN1C=C(C2CCOC2)C=N1)NC1=NN=N[N-]1	REAL250004604049	1	31	-1.0	-51.71	269.24	2.61	-49.10
CCC1=CC2=C(OCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604050	0	31	-1.0	-51.58	265.23	5.97	-45.61
CCC1=CC2=C(OCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604050	1	31	-1.0	-51.48	265.33	5.97	-45.51
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CS1	REAL250004604051	0	20	-1.0	-42.87	219.42	3.84	-39.03
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CS1	REAL250004604051	1	20	-1.0	-42.77	219.52	3.83	-38.94
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604052	0	27	-1.0	-46.95	251.91	-3.03	-49.98
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604052	1	27	-1.0	-46.98	252.08	-3.04	-50.02
O=C(NC1=NN=N[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL250004604053	0	31	-1.0	-47.63	270.41	5.61	-42.02
O=C(NC1=N[N-]N=N1)C1=CC=CC(OCC2CC2)=C1	REAL250004604053	1	31	-1.0	-47.57	270.51	5.59	-41.98
CSC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL250004604054	0	24	-1.0	-45.27	239.97	5.33	-39.94
CSC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL250004604054	1	24	-1.0	-45.23	240.06	5.33	-39.90
O=C(NC1=NN=N[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL250004604055	0	25	-1.0	-49.85	251.81	4.22	-45.63
O=C(NC1=N[N-]N=N1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL250004604055	1	25	-1.0	-49.80	251.90	4.22	-45.58
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004604056	0	42	-1.0	-51.23	320.81	4.02	-47.21
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004604056	1	42	-1.0	-51.25	320.72	4.06	-47.19
CC(F)(F)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604057	0	26	-1.0	-46.40	240.61	5.33	-41.07
CC(F)(F)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604057	1	26	-1.0	-46.29	240.71	5.31	-40.98
CN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL250004604058	0	30	-1.0	-52.56	272.80	2.75	-49.81
CN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL250004604058	1	30	-1.0	-52.48	272.90	2.75	-49.73
CC1=NC=C2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004604059	0	31	-1.0	-43.95	263.37	4.10	-39.85
CC1=NC=C2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004604059	1	31	-1.0	-44.03	263.27	4.12	-39.91
CC1=C(CC(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004604060	0	26	-1.0	-46.49	253.40	4.26	-42.23
CC1=C(CC(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004604060	1	26	-1.0	-46.57	253.31	4.28	-42.29
CCC1=NC=C2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004604061	0	34	-1.0	-43.93	284.69	4.70	-39.23
CCC1=NC=C2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004604061	1	34	-1.0	-44.01	284.60	4.71	-39.30
O=C(NC1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL250004604062	0	24	-1.0	-39.77	230.34	4.47	-35.30
O=C(NC1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL250004604062	1	24	-1.0	-39.84	230.24	4.48	-35.36
CC1=CN(CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)N=C1	REAL250004604063	0	33	-1.0	-50.17	293.06	6.14	-44.03
CC1=CN(CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)N=C1	REAL250004604063	1	33	-1.0	-50.09	293.16	6.12	-43.97
O=C(NC1=N[N-]N=N1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004604064	0	34	-1.0	-46.00	267.29	5.82	-40.18
O=C(NC1=NN=N[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004604064	1	34	-1.0	-46.13	267.14	5.81	-40.32
O=C(NC1=N[N-]N=N1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004604065	0	34	-1.0	-47.90	276.23	6.47	-41.43
O=C(NC1=NN=N[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004604065	1	34	-1.0	-47.92	276.14	6.49	-41.43
CC1(C(=O)NC2=N[N-]N=N2)CCCNS1(=O)=O	REAL250004604066	0	28	-1.0	-45.55	238.94	-1.08	-46.63
CC1(C(=O)NC2=NN=N[N-]2)CCCNS1(=O)=O	REAL250004604066	1	28	-1.0	-45.65	238.84	-1.06	-46.71
CN1C=CC(C23CC(CC2)C3C(=O)NC2=NN=N[N-]2)=N1	REAL250004604067	0	34	-1.0	-53.90	280.13	5.36	-48.54
CN1C=CC(C23CC(CC2)C3C(=O)NC2=N[N-]N=N2)=N1	REAL250004604067	1	34	-1.0	-53.83	280.22	5.35	-48.48
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604068	0	26	-1.0	-44.25	250.57	3.58	-40.67
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604068	1	26	-1.0	-44.20	250.66	3.57	-40.63
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=N[N-]N=N1	REAL250004604069	0	29	-1.0	-44.09	260.90	5.87	-38.22
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=NN=N[N-]1	REAL250004604069	1	29	-1.0	-44.20	260.81	5.88	-38.32
O=C(COC1=CC=CC=C1C(F)F)NC1=N[N-]N=N1	REAL250004604070	0	27	-1.0	-54.27	253.64	5.28	-48.99
O=C(COC1=CC=CC=C1C(F)F)NC1=NN=N[N-]1	REAL250004604070	1	27	-1.0	-54.32	253.55	5.29	-49.03
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004604071	0	27	-1.0	-50.40	247.25	6.00	-44.40
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004604071	1	27	-1.0	-50.31	247.35	5.99	-44.32
CCOC1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=NC=C1	REAL250004604072	0	29	-1.0	-47.09	272.73	3.59	-43.50
CCOC1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=NC=C1	REAL250004604072	1	29	-1.0	-47.00	272.84	3.58	-43.42
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004604073	0	35	-1.0	-40.57	289.63	3.15	-37.42
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004604073	1	35	-1.0	-40.65	289.53	3.16	-37.49
O=C(NC1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL250004604074	0	28	-1.0	-44.96	232.49	4.95	-40.01
O=C(NC1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL250004604074	1	28	-1.0	-45.05	232.39	4.96	-40.09
O=C(NC1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL250004604075	0	30	-1.0	-44.89	259.93	4.57	-40.32
O=C(NC1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL250004604075	1	30	-1.0	-44.80	260.03	4.56	-40.24
O=C(NC1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL250004604076	0	35	-1.0	-44.60	267.11	2.76	-41.84
O=C(NC1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL250004604076	1	35	-1.0	-44.67	267.01	2.78	-41.89
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=N[N-]N=N1	REAL250004604077	0	23	-1.0	-44.41	242.12	4.92	-39.49
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=NN=N[N-]1	REAL250004604077	1	23	-1.0	-44.47	242.01	4.92	-39.55
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004604078	0	31	-1.0	-46.30	269.11	6.41	-39.89
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004604078	1	31	-1.0	-46.35	269.02	6.42	-39.93
O=C(NC1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004604079	0	26	-1.0	-54.73	248.70	-3.08	-57.81
O=C(NC1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004604079	1	26	-1.0	-54.74	248.81	-3.08	-57.82
CC1=NN(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604080	0	30	-1.0	-57.92	265.58	5.84	-52.08
CC1=NN(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604080	1	30	-1.0	-57.94	265.79	5.82	-52.12
O=C(NC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL250004604081	0	30	-1.0	-45.18	269.94	6.43	-38.75
O=C(NC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL250004604081	1	30	-1.0	-45.22	269.86	6.44	-38.78
CC1=C(C(=O)NC2=NN=N[N-]2)C(C)=C(Br)O1	REAL250004604082	0	23	-1.0	-41.06	236.57	3.89	-37.17
CC1=C(C(=O)NC2=N[N-]N=N2)C(C)=C(Br)O1	REAL250004604082	1	23	-1.0	-40.99	236.67	3.89	-37.10
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=NN=N[N-]1	REAL250004604083	0	34	-1.0	-48.39	274.84	4.76	-43.63
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=N[N-]N=N1	REAL250004604083	1	34	-1.0	-48.34	274.94	4.74	-43.60
CC12CC(C(=O)NC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL250004604084	0	36	-1.0	-45.13	281.13	2.52	-42.61
CC12CC(C(=O)NC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL250004604084	1	36	-1.0	-45.22	281.04	2.53	-42.69
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL250004604085	0	28	-1.0	-48.55	249.13	1.14	-47.41
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL250004604085	1	28	-1.0	-48.49	249.23	1.13	-47.36
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604086	0	38	-1.0	-47.45	307.86	6.58	-40.87
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604086	1	38	-1.0	-47.52	307.76	6.59	-40.93
O=C(NC1=N[N-]N=N1)C1(C2CCOCC2)CCOCC1	REAL250004604087	0	38	-1.0	-50.01	277.30	2.87	-47.14
O=C(NC1=NN=N[N-]1)C1(C2CCOCC2)CCOCC1	REAL250004604087	1	38	-1.0	-50.05	277.21	2.88	-47.17
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL250004604088	0	27	-1.0	-49.48	243.99	6.02	-43.46
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL250004604088	1	27	-1.0	-49.39	244.08	6.01	-43.38
O=C(NC1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C=C1F	REAL250004604089	0	24	-1.0	-41.16	233.54	2.76	-38.40
O=C(NC1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL250004604089	1	24	-1.0	-41.21	233.44	2.78	-38.43
O=C(NC1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL250004604090	0	24	-1.0	-43.45	238.71	2.68	-40.77
O=C(NC1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL250004604090	1	24	-1.0	-43.51	238.62	2.70	-40.81
CCC1=NN(C)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004604091	0	26	-1.0	-40.40	253.12	3.25	-37.15
CCC1=NN(C)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004604091	1	26	-1.0	-40.50	253.02	3.25	-37.25
O=C(CSC1=CC=CC(F)=C1)NC1=N[N-]N=N1	REAL250004604092	0	24	-1.0	-45.44	237.08	5.02	-40.42
O=C(CSC1=CC=CC(F)=C1)NC1=NN=N[N-]1	REAL250004604092	1	24	-1.0	-45.52	236.99	5.02	-40.50
O=C(NC1=N[N-]N=N1)C1=CC2=C(C=C(Br)O2)N1	REAL250004604093	0	21	-1.0	-41.20	223.38	2.54	-38.66
O=C(NC1=NN=N[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL250004604093	1	21	-1.0	-41.28	223.27	2.55	-38.73
O=C(NC1=N[N-]N=N1)C1CCC(=O)N1CCC(F)(F)F	REAL250004604094	0	30	-1.0	-49.68	274.39	3.56	-46.12
O=C(NC1=NN=N[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL250004604094	1	30	-1.0	-49.68	274.29	3.57	-46.11
O=C(NC1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL250004604095	0	27	-1.0	-52.84	242.68	1.87	-50.97
O=C(NC1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL250004604095	1	27	-1.0	-52.85	242.59	1.90	-50.95
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004604096	0	31	-1.0	-40.65	273.10	4.35	-36.30
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004604096	1	31	-1.0	-40.70	273.00	4.36	-36.34
CC(C)C1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004604097	0	29	-1.0	-46.87	276.63	4.99	-41.88
CC(C)C1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004604097	1	29	-1.0	-46.82	276.73	4.97	-41.85
CCC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004604098	0	26	-1.0	-46.95	256.37	4.38	-42.57
CCC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004604098	1	26	-1.0	-46.89	256.47	4.37	-42.52
O=C(NC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL250004604099	0	34	-1.0	-48.14	287.69	5.88	-42.26
O=C(NC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL250004604099	1	34	-1.0	-48.17	287.60	5.89	-42.28
CC1=CC(C)=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004604100	0	30	-1.0	-43.29	263.75	5.05	-38.24
CC1=CC(C)=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004604100	1	30	-1.0	-43.21	263.85	5.04	-38.17
O=C(NC1=N[N-]N=N1)C1=NNC(C2CCOCC2)=C1	REAL250004604101	0	31	-1.0	-45.20	265.19	1.69	-43.51
O=C(NC1=NN=N[N-]1)C1=NNC(C2CCOCC2)=C1	REAL250004604101	1	31	-1.0	-45.24	265.09	1.72	-43.52
CC(C)(C)OC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004604102	0	38	-1.0	-43.40	298.84	6.16	-37.24
CC(C)(C)OC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004604102	1	38	-1.0	-43.42	298.74	6.17	-37.25
O=C(NC1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL250004604103	0	26	-1.0	-45.42	239.68	3.90	-41.52
O=C(NC1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL250004604103	1	26	-1.0	-45.45	239.58	3.92	-41.53
O=C(CCN1C=CC2=CC=CN=C21)NC1=NN=N[N-]1	REAL250004604104	0	29	-1.0	-47.07	261.18	5.66	-41.41
O=C(CCN1C=CC2=CC=CN=C21)NC1=N[N-]N=N1	REAL250004604104	1	29	-1.0	-47.00	261.27	5.64	-41.36
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL250004604105	0	25	-1.0	-50.92	240.72	5.81	-45.11
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL250004604105	1	25	-1.0	-50.90	240.86	5.80	-45.10
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=N[N-]N=N1	REAL250004604106	0	26	-1.0	-55.58	255.50	1.53	-54.05
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=NN=N[N-]1	REAL250004604106	1	26	-1.0	-55.66	255.41	1.53	-54.13
COC1=CC=C2C=C(C(=O)NC3=NN=N[N-]3)N=C2N1	REAL250004604107	0	27	-1.0	-58.65	247.06	1.94	-56.71
COC1=CC=C2C=C(C(=O)NC3=N[N-]N=N3)N=C2N1	REAL250004604107	1	27	-1.0	-58.57	247.17	1.93	-56.64
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(C)S1	REAL250004604108	0	26	-1.0	-44.95	251.48	4.29	-40.66
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(C)S1	REAL250004604108	1	26	-1.0	-44.83	251.58	4.27	-40.56
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)NC1=O	REAL250004604109	0	33	-1.0	-52.25	279.69	1.70	-50.55
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)NC1=O	REAL250004604109	1	33	-1.0	-52.09	280.19	1.73	-50.36
O=C(NC1=NN=N[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004604110	0	23	-1.0	-53.14	234.49	4.12	-49.02
O=C(NC1=N[N-]N=N1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004604110	1	23	-1.0	-53.04	234.59	4.11	-48.93
O=C(CSC1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004604111	0	24	-1.0	-44.84	247.40	5.46	-39.38
O=C(CSC1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004604111	1	24	-1.0	-44.94	247.31	5.46	-39.48
COCC1=CN=C(OC)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604112	0	30	-1.0	-48.79	267.54	1.42	-47.37
COCC1=CN=C(OC)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604112	1	30	-1.0	-48.70	267.63	1.42	-47.28
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=N[N-]N=N1	REAL250004604113	0	33	-1.0	-43.32	287.73	7.15	-36.17
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=NN=N[N-]1	REAL250004604113	1	33	-1.0	-43.34	287.63	7.16	-36.18
COC1=CC=C(C(C)=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004604114	0	31	-1.0	-43.68	271.34	5.10	-38.58
COC1=CC=C(C(C)=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004604114	1	31	-1.0	-43.72	271.24	5.10	-38.62
CC1(C)OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2O1	REAL250004604115	0	29	-1.0	-45.63	255.53	4.09	-41.54
CC1(C)OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2O1	REAL250004604115	1	29	-1.0	-45.50	255.63	4.09	-41.41
COC1=CC=C(C(CC(=O)NC2=N[N-]N=N2)C(F)F)C=C1	REAL250004604116	0	33	-1.0	-42.79	285.43	5.14	-37.65
COC1=CC=C(C(CC(=O)NC2=NN=N[N-]2)C(F)F)C=C1	REAL250004604116	1	33	-1.0	-42.87	285.34	5.14	-37.73
COC1=CC2=C(OCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604117	0	29	-1.0	-50.11	251.83	3.83	-46.28
COC1=CC2=C(OCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604117	1	29	-1.0	-50.09	251.93	3.83	-46.26
O=C(NC1=NN=N[N-]1)C1=C2OC=CC2=CC=C1Cl	REAL250004604118	0	23	-1.0	-50.70	234.61	4.46	-46.24
O=C(NC1=N[N-]N=N1)C1=C2OC=CC2=CC=C1Cl	REAL250004604118	1	23	-1.0	-50.63	234.71	4.45	-46.18
CC1=CSC2=C(C(=O)NC3=NN=N[N-]3)N=CN=C12	REAL250004604119	0	24	-1.0	-42.86	236.01	3.82	-39.04
CC1=CSC2=C(C(=O)NC3=N[N-]N=N3)N=CN=C12	REAL250004604119	1	24	-1.0	-42.81	236.11	3.82	-38.99
O=C(NC1=N[N-]N=N1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL250004604120	0	34	-1.0	-45.57	290.15	4.05	-41.52
O=C(NC1=NN=N[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL250004604120	1	34	-1.0	-45.62	290.06	4.07	-41.55
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=N[N-]N=N1	REAL250004604121	0	40	-1.0	-43.87	321.18	3.21	-40.66
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=NN=N[N-]1	REAL250004604121	1	40	-1.0	-43.91	321.08	3.22	-40.69
O=C(CC1=NN=C2COCCN12)NC1=N[N-]N=N1	REAL250004604122	0	27	-1.0	-52.26	241.19	1.92	-50.34
O=C(CC1=NN=C2COCCN12)NC1=NN=N[N-]1	REAL250004604122	1	27	-1.0	-52.35	241.10	1.94	-50.41
COC1=CC(C(=O)NC2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL250004604123	0	34	-1.0	-41.74	292.56	1.36	-40.38
COC1=CC(C(=O)NC2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL250004604123	1	34	-1.0	-41.69	292.66	1.36	-40.33
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604124	0	22	-1.0	-38.33	228.31	3.10	-35.23
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604124	1	22	-1.0	-38.26	228.41	3.10	-35.16
NC1=CC=C(Br)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604125	0	22	-1.0	-41.17	218.48	2.65	-38.52
NC1=CC=C(Br)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604125	1	22	-1.0	-41.06	218.58	2.64	-38.42
NC1=C(C(=O)NC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL250004604126	0	25	-1.0	-42.04	231.44	3.17	-38.87
NC1=C(C(=O)NC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL250004604126	1	25	-1.0	-41.95	231.54	3.17	-38.78
CC1=CC(Br)=C(N)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604127	0	25	-1.0	-41.37	238.02	3.38	-37.99
CC1=CC(Br)=C(N)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604127	1	25	-1.0	-41.28	238.12	3.37	-37.91
NC1=C(Br)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604128	0	22	-1.0	-41.82	215.69	2.72	-39.10
NC1=C(Br)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604128	1	22	-1.0	-41.72	215.79	2.72	-39.00
NC1=C(C(=O)NC2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL250004604129	0	22	-1.0	-39.66	227.63	3.05	-36.61
NC1=C(C(=O)NC2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL250004604129	1	22	-1.0	-39.54	227.73	3.05	-36.49
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604130	0	25	-1.0	-41.27	235.87	3.03	-38.24
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604130	1	25	-1.0	-41.13	235.97	3.02	-38.11
CC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004604131	0	25	-1.0	-41.07	237.49	3.41	-37.66
CC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004604131	1	25	-1.0	-40.95	237.60	3.39	-37.56
CC1=CC(Cl)=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004604132	0	25	-1.0	-41.21	232.93	3.30	-37.91
CC1=CC(Cl)=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004604132	1	25	-1.0	-41.18	233.03	3.30	-37.88
CC1=CC(Cl)=C(N)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604133	0	25	-1.0	-41.43	233.90	3.25	-38.18
CC1=CC(Cl)=C(N)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604133	1	25	-1.0	-41.36	234.00	3.25	-38.11
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604134	0	22	-1.0	-38.86	220.31	2.60	-36.26
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604134	1	22	-1.0	-38.79	220.41	2.59	-36.20
CC1=C(Br)C=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004604135	0	25	-1.0	-40.41	232.98	3.30	-37.11
CC1=C(Br)C=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004604135	1	25	-1.0	-40.37	233.08	3.30	-37.07
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(N)=C1Cl	REAL250004604136	0	25	-1.0	-42.25	231.17	3.16	-39.09
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(N)=C1Cl	REAL250004604136	1	25	-1.0	-42.15	231.27	3.17	-38.98
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604137	0	22	-1.0	-38.45	218.00	2.66	-35.79
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604137	1	22	-1.0	-38.41	218.10	2.65	-35.76
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(N)=C1F	REAL250004604138	0	26	-1.0	-43.75	232.66	1.42	-42.33
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(N)=C1F	REAL250004604138	1	26	-1.0	-43.68	232.77	1.42	-42.26
COC1=C(F)C=C(C(=O)NC2=NN=N[N-]2)C(N)=C1F	REAL250004604139	0	26	-1.0	-38.80	242.86	1.60	-37.20
COC1=C(F)C=C(C(=O)NC2=N[N-]N=N2)C(N)=C1F	REAL250004604139	1	26	-1.0	-38.74	242.96	1.60	-37.14
NC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004604140	0	24	-1.0	-41.58	231.25	0.76	-40.82
NC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004604140	1	24	-1.0	-41.50	231.35	0.76	-40.74
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604141	0	22	-1.0	-38.80	229.61	3.00	-35.80
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604141	1	22	-1.0	-38.74	229.71	2.99	-35.75
NC1=C(C(=O)NC2=NN=N[N-]2)C=CC(Cl)=C1F	REAL250004604142	0	22	-1.0	-39.94	219.62	2.60	-37.34
NC1=C(C(=O)NC2=N[N-]N=N2)C=CC(Cl)=C1F	REAL250004604142	1	22	-1.0	-39.87	219.72	2.60	-37.27
COC1=CC(OC)=C(C(=O)NC2=NN=N[N-]2)C(N)=C1Cl	REAL250004604143	0	30	-1.0	-46.18	276.67	0.83	-45.35
COC1=CC(OC)=C(C(=O)NC2=N[N-]N=N2)C(N)=C1Cl	REAL250004604143	1	30	-1.0	-46.13	276.78	0.82	-45.31
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004604144	0	25	-1.0	-50.38	247.14	4.46	-45.92
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC2=CC=NC=C21	REAL250004604144	1	25	-1.0	-50.30	247.24	4.45	-45.85
CN1C=C(Br)C(=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604145	0	23	-1.0	-58.86	232.62	3.90	-54.96
CN1C=C(Br)C(=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604145	1	23	-1.0	-58.99	232.52	3.91	-55.08
CC(C)(C)OC1CC(CC(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004604146	0	42	-1.0	-43.84	326.22	5.75	-38.09
CC(C)(C)OC1CC(CC(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004604146	1	42	-1.0	-43.86	326.13	5.76	-38.10
O=C(NC1=N[N-]N=N1)C1(CC2=NNN=C2)CCOCC1	REAL250004604147	0	33	-1.0	-49.50	267.04	0.84	-48.66
O=C(NC1=NN=N[N-]1)C1(CC2=NNN=C2)CCOCC1	REAL250004604147	1	33	-1.0	-49.55	266.95	0.85	-48.70
O=C(NC1=N[N-]N=N1)C1CC2=CC=CC=C2NC1=O	REAL250004604148	0	28	-1.0	-43.42	247.75	2.74	-40.68
O=C(NC1=NN=N[N-]1)C1CC2=CC=CC=C2NC1=O	REAL250004604148	1	28	-1.0	-43.51	247.66	2.76	-40.75
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL250004604149	0	27	-1.0	-42.23	245.17	4.49	-37.74
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL250004604149	1	27	-1.0	-42.18	245.27	4.48	-37.70
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004604150	0	27	-1.0	-44.49	247.62	5.70	-38.79
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004604150	1	27	-1.0	-44.56	247.52	5.70	-38.86
O=C(NC1=N[N-]N=N1)C1=C(CN2CCOCC2)C=CO1	REAL250004604151	0	33	-1.0	-45.86	280.01	0.98	-44.88
O=C(NC1=NN=N[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL250004604151	1	33	-1.0	-45.92	279.91	1.00	-44.92
O=C(NC1=N[N-]N=N1)C1CC2CC(O)CC(C2)C1	REAL250004604152	0	34	-1.0	-47.02	254.23	2.55	-44.47
O=C(NC1=NN=N[N-]1)C1CC2CC(O)CC(C2)C1	REAL250004604152	1	34	-1.0	-47.11	254.13	2.57	-44.54
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=NC=C2)=C1	REAL250004604153	0	26	-1.0	-45.87	243.85	2.02	-43.85
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=NC=C2)=C1	REAL250004604153	1	26	-1.0	-45.80	243.95	2.02	-43.78
CC1=NSC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004604154	0	19	-1.0	-38.95	217.68	2.51	-36.44
CC1=NSC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004604154	1	19	-1.0	-38.95	217.59	2.54	-36.41
O=C(NC1=NN=N[N-]1)C1=CN2N=C(Cl)N=C2C=C1	REAL250004604155	0	22	-1.0	-42.93	226.33	4.00	-38.93
O=C(NC1=N[N-]N=N1)C1=CN2N=C(Cl)N=C2C=C1	REAL250004604155	1	22	-1.0	-42.85	226.43	4.00	-38.85
NC1=C(Br)C=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004604156	0	21	-1.0	-39.15	211.80	0.90	-38.25
NC1=C(Br)C=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004604156	1	21	-1.0	-39.29	211.70	0.91	-38.38
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=C1CCCN2	REAL250004604157	1	29	-1.0	-48.04	244.64	1.58	-46.46
O=C(CCN1CCCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004604158	0	35	-1.0	-43.32	279.46	4.78	-38.54
O=C(CCN1CCCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004604158	1	35	-1.0	-43.38	279.37	4.79	-38.59
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=N[N-]N=N1	REAL250004604159	0	37	-1.0	-49.38	309.68	-0.36	-49.74
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=NN=N[N-]1	REAL250004604159	1	37	-1.0	-49.44	309.59	-0.35	-49.79
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL250004604160	0	22	-1.0	-52.73	243.65	5.06	-47.67
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL250004604160	1	22	-1.0	-52.64	243.75	5.04	-47.60
COC(=O)C1C(F)(F)C12CC(C(=O)NC1=N[N-]N=N1)C2	REAL250004604161	0	30	-1.0	-48.12	275.69	4.95	-43.17
COC(=O)C1C(F)(F)C12CC(C(=O)NC1=NN=N[N-]1)C2	REAL250004604161	1	30	-1.0	-48.19	275.59	4.96	-43.23
O=C(NC1=NN=N[N-]1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL250004604162	0	29	-1.0	-45.82	261.82	4.37	-41.45
O=C(NC1=N[N-]N=N1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL250004604162	1	29	-1.0	-45.74	261.91	4.36	-41.38
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=N[N-]N=N1	REAL250004604163	0	37	-1.0	-46.30	309.94	-0.09	-46.39
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=NN=N[N-]1	REAL250004604163	1	37	-1.0	-46.38	309.84	-0.09	-46.47
CC1(C2=NOC=C2C(=O)NC2=NN=N[N-]2)COC1	REAL250004604165	0	27	-1.0	-42.75	240.80	1.63	-41.12
CC1(C2=NOC=C2C(=O)NC2=N[N-]N=N2)COC1	REAL250004604165	1	27	-1.0	-42.66	240.90	1.62	-41.04
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)O1	REAL250004604166	0	35	-1.0	-49.14	295.28	3.94	-45.20
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)O1	REAL250004604166	1	35	-1.0	-49.24	295.18	3.96	-45.28
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=N[N-]N=N1	REAL250004604167	0	34	-1.0	-41.43	295.97	1.93	-39.50
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=NN=N[N-]1	REAL250004604167	1	34	-1.0	-41.53	295.87	1.94	-39.59
COC(CF)(OC)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604168	0	34	-1.0	-45.35	289.26	4.26	-41.09
COC(CF)(OC)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604168	1	34	-1.0	-45.27	289.35	4.25	-41.02
CCOC(=O)CCC(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004604169	0	28	-1.0	-41.51	261.22	4.12	-37.39
CCOC(=O)CCC(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004604169	1	28	-1.0	-41.54	261.13	4.13	-37.41
COC1=CC(OC)=C(N)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604170	0	30	-1.0	-44.25	254.97	0.73	-43.52
COC1=CC(OC)=C(N)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604170	1	30	-1.0	-44.14	255.07	0.73	-43.41
COC(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004604171	0	29	-1.0	-48.30	266.14	4.76	-43.54
COC(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004604171	1	29	-1.0	-48.25	266.24	4.76	-43.49
C[C@H](C(=O)NC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004604172	0	29	-1.0	-45.18	254.11	3.67	-41.51
C[C@H](C(=O)NC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004604172	1	29	-1.0	-45.30	254.02	3.70	-41.60
CC1=CN(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)N=C1	REAL250004604173	0	30	-1.0	-54.49	267.67	5.68	-48.81
CC1=CN(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)N=C1	REAL250004604173	1	30	-1.0	-54.42	267.77	5.66	-48.76
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004604174	0	29	-1.0	-43.15	261.62	5.87	-37.28
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004604174	1	29	-1.0	-43.22	261.52	5.89	-37.33
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604175	0	31	-1.0	-49.31	285.28	7.54	-41.77
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604175	1	31	-1.0	-49.26	285.39	7.53	-41.73
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL250004604176	0	26	-1.0	-46.42	235.31	6.14	-40.28
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(F)=CC=C21	REAL250004604176	1	26	-1.0	-46.29	235.41	6.14	-40.15
CN1C(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004604177	0	20	-1.0	-39.61	209.46	2.72	-36.89
CN1C(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004604177	1	20	-1.0	-39.51	209.56	2.70	-36.81
CCC1=C(C(=O)NC2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL250004604178	0	37	-1.0	-48.65	317.56	7.29	-41.36
CCC1=C(C(=O)NC2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL250004604178	1	37	-1.0	-48.57	317.65	7.28	-41.29
O=C(NC1=NN=N[N-]1)C1=CC=NN1C1CC1(F)F	REAL250004604179	0	24	-1.0	-41.86	230.74	3.47	-38.39
O=C(NC1=N[N-]N=N1)C1=CC=NN1C1CC1(F)F	REAL250004604179	1	24	-1.0	-41.77	230.84	3.47	-38.30
CCOC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004604180	0	34	-1.0	-44.14	290.16	4.63	-39.51
CCOC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004604180	1	34	-1.0	-44.07	290.25	4.62	-39.45
CCC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004604181	0	33	-1.0	-43.18	281.62	5.86	-37.32
CCC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004604181	1	33	-1.0	-43.14	281.71	5.85	-37.29
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL250004604182	0	33	-1.0	-43.59	274.46	5.54	-38.05
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL250004604182	1	33	-1.0	-43.52	274.56	5.52	-38.00
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL250004604183	0	36	-1.0	-43.06	298.79	6.33	-36.73
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL250004604183	1	36	-1.0	-42.97	298.89	6.32	-36.65
COC1=CC=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL250004604184	0	24	-1.0	-50.74	240.40	3.55	-47.19
COC1=CC=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL250004604184	1	24	-1.0	-50.70	240.50	3.53	-47.17
CC1=CC(CC2(C(=O)NC3=N[N-]N=N3)CC2)=CC=C1F	REAL250004604185	0	33	-1.0	-49.35	290.21	7.07	-42.28
CC1=CC(CC2(C(=O)NC3=NN=N[N-]3)CC2)=CC=C1F	REAL250004604185	1	33	-1.0	-49.42	290.15	7.09	-42.33
CC1=CC(F)=CC=C1CC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604186	0	33	-1.0	-49.24	280.96	7.20	-42.04
CC1=CC(F)=CC=C1CC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604186	1	33	-1.0	-49.31	280.86	7.21	-42.10
O=C(NC1=N[N-]N=N1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004604187	0	33	-1.0	-49.91	272.22	6.65	-43.26
O=C(NC1=NN=N[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004604187	1	33	-1.0	-49.96	272.13	6.66	-43.30
COC(=O)C1=NC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004604188	0	31	-1.0	-50.76	275.15	3.90	-46.86
COC(=O)C1=NC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004604188	1	31	-1.0	-50.70	275.24	3.89	-46.81
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004604189	0	41	-1.0	-43.67	303.40	3.36	-40.31
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004604189	1	41	-1.0	-43.76	303.31	3.36	-40.40
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004604190	0	40	-1.0	-46.95	325.79	3.16	-43.79
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004604190	1	40	-1.0	-47.04	325.70	3.17	-43.87
CNC(=O)C1=CN=CC(C=CC(=O)NC2=N[N-]N=N2)=C1	REAL250004604191	0	30	-1.0	-51.38	273.54	1.48	-49.90
CNC(=O)C1=CN=CC(C=CC(=O)NC2=NN=N[N-]2)=C1	REAL250004604191	1	30	-1.0	-51.44	273.44	1.49	-49.95
O=C(C=CC1=CC=NC(Cl)=C1)NC1=N[N-]N=N1	REAL250004604192	0	23	-1.0	-45.18	233.95	3.68	-41.50
O=C(C=CC1=CC=NC(Cl)=C1)NC1=NN=N[N-]1	REAL250004604192	1	23	-1.0	-45.27	233.85	3.69	-41.58
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=NN=N[N-]1	REAL250004604193	0	29	-1.0	-47.09	260.69	5.31	-41.78
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=N[N-]N=N1	REAL250004604193	1	29	-1.0	-47.03	260.79	5.30	-41.73
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004604194	0	27	-1.0	-44.49	247.62	5.70	-38.79
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004604194	1	27	-1.0	-44.56	247.52	5.70	-38.86
NS(=O)(=O)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604195	0	31	-1.0	-51.41	268.39	-1.05	-52.46
NS(=O)(=O)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604195	1	31	-1.0	-51.50	268.28	-1.03	-52.53
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL250004604196	0	26	-1.0	-42.85	250.60	4.93	-37.92
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2F)=NO1	REAL250004604196	1	26	-1.0	-42.80	250.69	4.92	-37.88
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1	REAL250004604197	0	24	-1.0	-44.38	242.32	3.05	-41.33
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL250004604197	1	24	-1.0	-44.45	242.23	3.07	-41.38
CC1=CC=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=C1	REAL250004604198	0	26	-1.0	-39.92	243.18	5.22	-34.70
CC1=CC=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=C1	REAL250004604198	1	26	-1.0	-39.98	243.08	5.24	-34.74
COC1=CSC(C(=O)NC2=NN=N[N-]2)=C1OC	REAL250004604199	0	25	-1.0	-47.39	240.20	2.75	-44.64
COC1=CSC(C(=O)NC2=N[N-]N=N2)=C1OC	REAL250004604199	1	25	-1.0	-47.29	240.29	2.74	-44.55
CSC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004604200	0	27	-1.0	-42.88	268.61	5.98	-36.90
CSC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004604200	1	27	-1.0	-42.96	268.51	5.98	-36.98
CC1=CC2=NC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004604201	0	28	-1.0	-44.47	250.06	4.83	-39.64
CC1=CC2=NC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004604201	1	28	-1.0	-44.37	250.16	4.83	-39.54
COC1=C(F)C=CC(C(=O)NC2=NN=N[N-]2)=C1F	REAL250004604202	0	24	-1.0	-47.44	231.41	3.36	-44.08
COC1=C(F)C=CC(C(=O)NC2=N[N-]N=N2)=C1F	REAL250004604202	1	24	-1.0	-47.35	231.50	3.36	-43.99
O=C(NC1=NN=N[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL250004604203	0	26	-1.0	-52.82	250.97	3.86	-48.96
O=C(NC1=N[N-]N=N1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL250004604203	1	26	-1.0	-52.75	251.07	3.86	-48.89
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL250004604204	0	26	-1.0	-44.39	241.58	3.60	-40.79
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=COC=C2)=C1	REAL250004604204	1	26	-1.0	-44.33	241.68	3.60	-40.73
CC1(C)C(C(=O)NC2=N[N-]N=N2)CCS1(=O)=O	REAL250004604205	0	29	-1.0	-51.49	246.80	0.70	-50.79
CC1(C)C(C(=O)NC2=NN=N[N-]2)CCS1(=O)=O	REAL250004604205	1	29	-1.0	-51.56	246.68	0.73	-50.83
COC1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL250004604206	0	26	-1.0	-41.10	231.94	1.50	-39.60
COC1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL250004604206	1	26	-1.0	-41.03	232.03	1.50	-39.53
O=C(CCCCN1C(=O)CCC1=O)NC1=N[N-]N=N1	REAL250004604207	0	32	-1.0	-52.62	281.88	3.51	-49.11
O=C(CCCCN1C(=O)CCC1=O)NC1=NN=N[N-]1	REAL250004604207	1	32	-1.0	-52.73	281.79	3.53	-49.20
CC(C(=O)NC1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL250004604208	0	32	-1.0	-45.61	269.18	6.20	-39.41
CC(C(=O)NC1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL250004604208	1	32	-1.0	-45.72	269.08	6.22	-39.50
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)COC1	REAL250004604209	0	38	-1.0	-45.50	310.21	1.22	-44.28
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)COC1	REAL250004604209	1	38	-1.0	-45.57	310.12	1.23	-44.34
CN1C=CC(N2C=NC(C(=O)NC3=NN=N[N-]3)=C2)=N1	REAL250004604210	0	27	-1.0	-54.21	254.49	5.04	-49.17
CN1C=CC(N2C=NC(C(=O)NC3=N[N-]N=N3)=C2)=N1	REAL250004604210	1	27	-1.0	-54.11	254.59	5.02	-49.09
CCCCC1=NC(C(=O)NC2=N[N-]N=N2)=CS1	REAL250004604211	0	28	-1.0	-45.30	261.17	3.82	-41.48
CCCCC1=NC(C(=O)NC2=NN=N[N-]2)=CS1	REAL250004604211	1	28	-1.0	-45.36	261.08	3.83	-41.53
CN(CC(=O)NC1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL250004604212	0	29	-1.0	-48.19	269.01	3.98	-44.21
CN(CC(=O)NC1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL250004604212	1	29	-1.0	-48.26	268.91	3.99	-44.27
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004604213	0	31	-1.0	-44.29	263.49	5.55	-38.74
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004604213	1	31	-1.0	-44.19	263.59	5.54	-38.65
COC1=CC=C(F)C=C1CC1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604214	0	34	-1.0	-49.32	298.93	5.79	-43.53
COC1=CC=C(F)C=C1CC1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604214	1	34	-1.0	-49.38	298.84	5.80	-43.58
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL250004604215	0	23	-1.0	-48.48	233.33	2.78	-45.70
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC2=C1OCO2	REAL250004604215	1	23	-1.0	-48.42	233.43	2.77	-45.65
O=C(NC1=N[N-]N=N1)C12CC(F)(F)CC1CCCC2	REAL250004604216	0	33	-1.0	-45.91	255.98	5.74	-40.17
O=C(NC1=NN=N[N-]1)C12CC(F)(F)CC1CCCC2	REAL250004604216	1	33	-1.0	-46.01	255.88	5.75	-40.26
CC1=CC=CC(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004604217	0	29	-1.0	-39.97	267.54	5.47	-34.50
CC1=CC=CC(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004604217	1	29	-1.0	-39.95	267.64	5.46	-34.49
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL250004604218	0	26	-1.0	-38.46	262.79	5.32	-33.14
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL250004604218	1	26	-1.0	-38.39	262.89	5.31	-33.08
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL250004604219	0	26	-1.0	-41.62	258.47	5.48	-36.14
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL250004604219	1	26	-1.0	-41.59	258.57	5.47	-36.12
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CCC1	REAL250004604220	0	40	-1.0	-45.46	324.48	3.03	-42.43
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CCC1	REAL250004604220	1	40	-1.0	-45.52	324.38	3.04	-42.48
O=C(NC1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004604221	0	35	-1.0	-46.43	263.06	2.37	-44.06
O=C(NC1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL250004604221	1	35	-1.0	-46.47	262.96	2.38	-44.09
CC1CC(C(=O)NC2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL250004604222	0	37	-1.0	-50.02	306.22	3.98	-46.04
CC1CC(C(=O)NC2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL250004604222	1	37	-1.0	-50.15	306.13	4.00	-46.15
CN1C=CC(C2=NNC=C2C(=O)NC2=NN=N[N-]2)=N1	REAL250004604223	0	27	-1.0	-57.15	249.45	1.92	-55.23
CN1C=CC(C2=NNC=C2C(=O)NC2=N[N-]N=N2)=N1	REAL250004604223	1	27	-1.0	-57.07	249.55	1.91	-55.16
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL250004604224	0	30	-1.0	-43.43	259.98	5.07	-38.36
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL250004604224	1	30	-1.0	-43.34	260.07	5.06	-38.28
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004604225	0	31	-1.0	-46.59	270.25	5.80	-40.79
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004604225	1	31	-1.0	-46.52	270.35	5.77	-40.75
CCC1=C(C(=O)NC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004604226	0	34	-1.0	-46.91	291.59	6.51	-40.40
CCC1=C(C(=O)NC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004604226	1	34	-1.0	-46.82	291.69	6.50	-40.32
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=NN=N[N-]1	REAL250004604227	0	29	-1.0	-48.26	253.94	5.52	-42.74
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=N[N-]N=N1	REAL250004604227	1	29	-1.0	-48.25	254.05	5.52	-42.73
CCOC(=O)C12CC(C(=O)NC3=N[N-]N=N3)(C1)OC2	REAL250004604228	0	31	-1.0	-43.42	274.15	2.93	-40.49
CCOC(=O)C12CC(C(=O)NC3=NN=N[N-]3)(C1)OC2	REAL250004604228	1	31	-1.0	-43.48	274.05	2.95	-40.53
CC1(C)CC(CC(=O)NC2=N[N-]N=N2)CC(C)(C)O1	REAL250004604229	0	39	-1.0	-44.00	297.94	5.00	-39.00
CC1(C)CC(CC(=O)NC2=NN=N[N-]2)CC(C)(C)O1	REAL250004604229	1	39	-1.0	-44.10	297.85	5.01	-39.09
O=C(CCCCCN1C=NN=N1)NC1=NN=N[N-]1	REAL250004604230	0	30	-1.0	-57.06	267.47	4.01	-53.05
O=C(CCCCCN1C=NN=N1)NC1=N[N-]N=N1	REAL250004604230	1	30	-1.0	-57.00	267.56	4.01	-52.99
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL250004604231	0	27	-1.0	-46.91	241.68	0.90	-46.01
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(=O)NCC2=C1	REAL250004604231	1	27	-1.0	-46.87	241.78	0.89	-45.98
O=C(NC1=N[N-]N=N1)C(CC(F)(F)F)C1=CC=CC=C1	REAL250004604232	0	29	-1.0	-41.55	263.94	5.87	-35.68
O=C(NC1=NN=N[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL250004604232	1	29	-1.0	-41.60	263.84	5.88	-35.72
CN1N=C(C(=O)NC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004604233	0	26	-1.0	-50.99	245.38	3.85	-47.14
CN1N=C(C(=O)NC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004604233	1	26	-1.0	-50.91	245.49	3.84	-47.07
O=C(NC1=NN=N[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL250004604234	0	24	-1.0	-53.54	236.14	-0.29	-53.83
O=C(NC1=N[N-]N=N1)C1=COC2=C1CS(=O)(=O)C2	REAL250004604234	1	24	-1.0	-53.45	236.24	-0.30	-53.75
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL250004604235	0	31	-1.0	-45.36	262.15	4.41	-40.95
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCOC2)C=C1	REAL250004604235	1	31	-1.0	-45.31	262.25	4.39	-40.92
CN1C=C(C2=NOC(C(=O)NC3=NN=N[N-]3)=C2)C=N1	REAL250004604236	0	26	-1.0	-42.21	250.80	2.66	-39.55
CN1C=C(C2=NOC(C(=O)NC3=N[N-]N=N3)=C2)C=N1	REAL250004604236	1	26	-1.0	-42.17	250.90	2.65	-39.52
C=CCNC(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604237	0	31	-1.0	-45.91	278.11	3.49	-42.42
C=CCNC(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604237	1	31	-1.0	-45.83	278.21	3.48	-42.35
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004604238	0	29	-1.0	-47.49	268.12	5.66	-41.83
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004604238	1	29	-1.0	-47.39	268.23	5.66	-41.73
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL250004604239	0	30	-1.0	-43.39	260.14	5.08	-38.31
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL250004604239	1	30	-1.0	-43.31	260.24	5.07	-38.24
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL250004604240	0	29	-1.0	-42.98	266.85	5.09	-37.89
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL250004604240	1	29	-1.0	-42.91	266.95	5.08	-37.83
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL250004604241	0	27	-1.0	-41.45	255.48	4.92	-36.53
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL250004604241	1	27	-1.0	-41.35	255.58	4.91	-36.44
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL250004604242	0	27	-1.0	-41.72	245.18	4.49	-37.23
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL250004604242	1	27	-1.0	-41.67	245.27	4.48	-37.19
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL250004604243	0	23	-1.0	-49.96	226.74	4.65	-45.31
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1C(F)(F)F	REAL250004604243	1	23	-1.0	-49.90	226.82	4.64	-45.26
CCC(CCC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004604244	0	42	-1.0	-44.11	333.74	3.67	-40.44
CCC(CCC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004604244	1	42	-1.0	-44.13	333.65	3.68	-40.45
O=C(NC1=NN=N[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL250004604245	0	23	-1.0	-44.60	228.20	5.22	-39.38
O=C(NC1=N[N-]N=N1)C1=C2SC=CC2=C(F)C=C1	REAL250004604245	1	23	-1.0	-44.46	228.30	5.22	-39.24
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004604246	0	33	-1.0	-47.06	284.79	7.95	-39.11
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004604246	1	33	-1.0	-47.00	284.89	7.93	-39.07
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=N[N-]N=N2)CC1	REAL250004604247	0	40	-1.0	-50.16	329.69	3.61	-46.55
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=NN=N[N-]2)CC1	REAL250004604247	1	40	-1.0	-50.26	329.60	3.63	-46.63
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604248	0	33	-1.0	-45.37	277.60	7.90	-37.47
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604248	1	33	-1.0	-45.32	277.69	7.89	-37.43
COC1=CC(OC)=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604249	0	28	-1.0	-47.68	258.14	2.98	-44.70
COC1=CC(OC)=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604249	1	28	-1.0	-47.63	258.23	2.95	-44.68
O=C(NC1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL250004604250	0	26	-1.0	-47.20	234.65	3.83	-43.37
O=C(NC1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL250004604250	1	26	-1.0	-47.27	234.56	3.85	-43.42
O=C(NC1=N[N-]N=N1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004604251	0	35	-1.0	-44.64	277.54	7.64	-37.00
O=C(NC1=NN=N[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004604251	1	35	-1.0	-44.75	277.43	7.66	-37.09
CC1(C)CCC(F)(F)CC1C(=O)NC1=N[N-]N=N1	REAL250004604252	0	32	-1.0	-41.19	249.10	4.97	-36.22
CC1(C)CCC(F)(F)CC1C(=O)NC1=NN=N[N-]1	REAL250004604252	1	32	-1.0	-41.30	249.00	4.99	-36.31
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004604253	0	32	-1.0	-46.81	287.46	6.51	-40.30
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004604253	1	32	-1.0	-46.73	287.55	6.51	-40.22
O=C(NC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL250004604254	0	19	-1.0	-38.18	215.87	2.12	-36.06
O=C(NC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL250004604254	1	19	-1.0	-38.14	215.97	2.11	-36.03
COC1=CC=C2NN=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004604255	0	27	-1.0	-52.02	245.72	1.76	-50.26
COC1=CC=C2NN=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004604255	1	27	-1.0	-51.92	245.83	1.75	-50.17
COC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=C(C)C2=C1	REAL250004604256	0	31	-1.0	-44.29	268.30	3.71	-40.58
COC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=C(C)C2=C1	REAL250004604256	1	31	-1.0	-44.24	268.40	3.70	-40.54
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=N[N-]N=N1	REAL250004604257	0	29	-1.0	-42.68	262.95	5.84	-36.84
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=NN=N[N-]1	REAL250004604257	1	29	-1.0	-42.74	262.87	5.85	-36.89
O=C(NC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C(=O)C1	REAL250004604258	0	30	-1.0	-46.04	267.24	3.34	-42.70
O=C(NC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL250004604258	1	30	-1.0	-46.14	267.15	3.35	-42.79
O=C(NC1=N[N-]N=N1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004604259	0	33	-1.0	-43.52	255.33	4.78	-38.74
O=C(NC1=NN=N[N-]1)C12CC3CC(C1)C(=O)C(C3)C2	REAL250004604259	1	33	-1.0	-43.57	255.24	4.81	-38.76
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1C2	REAL250004604260	0	30	-1.0	-42.85	245.07	5.07	-37.78
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL250004604260	1	30	-1.0	-42.95	244.97	5.09	-37.86
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL250004604261	0	26	-1.0	-46.05	238.20	5.53	-40.52
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1CC(F)(F)F	REAL250004604261	1	26	-1.0	-45.96	238.29	5.52	-40.44
CCN(CCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004604262	0	39	-1.0	-46.27	316.34	4.75	-41.52
CCN(CCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004604262	1	39	-1.0	-46.31	316.25	4.76	-41.55
O=C(NC1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL250004604263	0	25	-1.0	-46.03	240.02	2.16	-43.87
O=C(NC1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL250004604263	1	25	-1.0	-46.00	240.12	2.14	-43.86
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004604264	0	26	-1.0	-37.68	242.14	5.02	-32.66
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004604264	1	26	-1.0	-37.73	242.04	5.04	-32.69
O=C(NC1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL250004604265	0	26	-1.0	-42.82	246.20	3.39	-39.43
O=C(NC1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL250004604265	1	26	-1.0	-42.76	246.30	3.36	-39.40
O=C(CC1CCS(=O)(=O)CC1)NC1=N[N-]N=N1	REAL250004604266	0	29	-1.0	-51.19	250.64	0.76	-50.43
O=C(CC1CCS(=O)(=O)CC1)NC1=NN=N[N-]1	REAL250004604266	1	29	-1.0	-51.25	250.55	0.77	-50.48
CC1=NN=NN1C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004604267	0	31	-1.0	-53.34	277.12	4.28	-49.06
CC1=NN=NN1C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004604267	1	31	-1.0	-53.27	277.22	4.27	-49.00
O=C(NC1=NN=N[N-]1)C1CCCN1C1=CN=CC=N1	REAL250004604268	0	30	-1.0	-46.74	251.87	1.21	-45.53
O=C(NC1=N[N-]N=N1)C1CCCN1C1=CN=CC=N1	REAL250004604268	1	30	-1.0	-46.68	251.96	1.20	-45.48
O=C(NC1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL250004604269	1	25	-1.0	-50.63	238.58	-0.49	-51.12
O=C(NC1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=CN1	REAL250004604269	1	25	-1.0	-50.54	238.68	-0.50	-51.04
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004604270	0	36	-1.0	-41.90	295.15	6.20	-35.70
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004604270	1	36	-1.0	-41.95	295.05	6.22	-35.73
O=C(NC1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004604271	0	26	-1.0	-50.68	237.14	6.13	-44.55
O=C(NC1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004604271	1	26	-1.0	-50.59	237.23	6.11	-44.48
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004604272	0	34	-1.0	-53.88	290.14	7.43	-46.45
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004604272	1	34	-1.0	-53.81	290.31	7.42	-46.39
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CCCCC1	REAL250004604273	0	42	-1.0	-45.14	320.77	9.01	-36.13
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL250004604273	1	42	-1.0	-45.19	320.68	9.03	-36.16
CCC1(C(=O)NC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004604274	0	36	-1.0	-45.36	276.23	7.04	-38.32
CCC1(C(=O)NC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004604274	1	36	-1.0	-45.28	276.32	7.02	-38.26
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004604275	0	26	-1.0	-44.55	247.10	5.49	-39.06
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004604275	1	26	-1.0	-44.44	247.20	5.47	-38.97
COC(=O)C1=CSC2=C1NC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004604276	0	27	-1.0	-47.01	267.39	3.46	-43.55
COC(=O)C1=CSC2=C1NC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004604276	1	27	-1.0	-46.93	267.50	3.45	-43.48
COC(=O)C1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)N2)S1	REAL250004604277	0	27	-1.0	-42.49	267.64	3.60	-38.89
COC(=O)C1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)N2)S1	REAL250004604277	1	27	-1.0	-42.42	267.74	3.59	-38.83
O=C(NC1=NN=N[N-]1)C1=CON=C1C1=CC=CC=C1	REAL250004604278	0	26	-1.0	-45.74	239.76	4.79	-40.95
O=C(NC1=N[N-]N=N1)C1=CON=C1C1=CC=CC=C1	REAL250004604278	1	26	-1.0	-45.67	239.86	4.78	-40.89
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=N[N-]N=N1	REAL250004604279	0	36	-1.0	-45.39	306.42	2.06	-43.33
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=NN=N[N-]1	REAL250004604279	1	36	-1.0	-45.43	306.33	2.06	-43.37
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604280	0	34	-1.0	-47.65	285.77	7.32	-40.33
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604280	1	34	-1.0	-47.57	285.87	7.33	-40.24
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604281	0	34	-1.0	-47.68	285.77	7.32	-40.36
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604281	1	34	-1.0	-47.58	285.88	7.31	-40.27
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=N[N-]N=N1	REAL250004604282	0	29	-1.0	-42.29	262.34	5.91	-36.38
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=NN=N[N-]1	REAL250004604282	1	29	-1.0	-42.38	262.25	5.92	-36.46
CN1C(=O)N(CC(=O)NC2=N[N-]N=N2)N=C1C1CC1	REAL250004604283	0	30	-1.0	-55.60	273.03	4.24	-51.36
CN1C(=O)N(CC(=O)NC2=NN=N[N-]2)N=C1C1CC1	REAL250004604283	1	30	-1.0	-55.69	272.94	4.25	-51.44
CCN1C(C)=NN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004604284	0	29	-1.0	-56.96	262.92	3.69	-53.27
CCN1C(C)=NN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004604284	1	29	-1.0	-57.04	262.82	3.70	-53.34
NS(=O)(=O)C1=CSC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604285	0	22	-1.0	-49.93	235.09	-2.28	-52.21
NS(=O)(=O)C1=CSC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604285	1	22	-1.0	-49.88	235.20	-2.29	-52.17
O=C(NC1=NN=N[N-]1)C1=CN=C2C(=C1)C=CNC2=O	REAL250004604286	0	25	-1.0	-50.43	234.28	1.24	-49.19
O=C(NC1=N[N-]N=N1)C1=CN=C2C(=C1)C=CNC2=O	REAL250004604286	1	25	-1.0	-50.38	234.38	1.23	-49.15
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004604287	0	29	-1.0	-46.55	255.47	5.50	-41.05
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004604287	1	29	-1.0	-46.58	255.38	5.53	-41.05
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004604288	0	33	-1.0	-44.70	284.21	6.39	-38.31
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004604288	1	33	-1.0	-44.80	284.12	6.41	-38.39
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604289	0	31	-1.0	-47.07	273.12	4.56	-42.51
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604289	1	31	-1.0	-46.99	273.21	4.55	-42.44
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=CC=C2F)=NO1	REAL250004604290	0	29	-1.0	-43.63	269.56	5.50	-38.13
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=CC=C2F)=NO1	REAL250004604290	1	29	-1.0	-43.59	269.66	5.48	-38.11
O=C(NC1=N[N-]N=N1)C1CCOCC12CCCCC2	REAL250004604291	0	37	-1.0	-44.08	266.56	4.28	-39.80
O=C(NC1=NN=N[N-]1)C1CCOCC12CCCCC2	REAL250004604291	1	37	-1.0	-44.16	266.46	4.29	-39.87
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1CC2	REAL250004604292	0	33	-1.0	-41.41	255.55	5.68	-35.73
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL250004604292	1	33	-1.0	-41.41	255.45	5.69	-35.72
CC(F)(F)C(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004604293	0	29	-1.0	-48.23	254.25	5.87	-42.36
CC(F)(F)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004604293	1	29	-1.0	-48.30	254.16	5.90	-42.40
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCOC1	REAL250004604294	0	31	-1.0	-45.41	255.40	4.36	-41.05
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCOC1	REAL250004604294	1	31	-1.0	-45.34	255.49	4.34	-41.00
CC1=CC=C(C2CCCCC2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604295	0	39	-1.0	-46.56	297.94	7.75	-38.81
CC1=CC=C(C2CCCCC2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604295	1	39	-1.0	-46.62	297.83	7.77	-38.85
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=N[N-]N=N1	REAL250004604296	0	34	-1.0	-56.56	298.49	5.47	-51.09
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=NN=N[N-]1	REAL250004604296	1	34	-1.0	-56.61	298.40	5.48	-51.13
CCC(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004604297	0	32	-1.0	-55.04	268.75	3.67	-51.37
CCC(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004604297	1	32	-1.0	-55.16	268.64	3.67	-51.49
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=N[N-]N=N1	REAL250004604298	0	30	-1.0	-45.30	274.51	6.15	-39.15
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=NN=N[N-]1	REAL250004604298	1	30	-1.0	-45.34	274.42	6.17	-39.17
CC1=CC=C(OC(C)C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004604299	0	33	-1.0	-46.85	279.98	6.27	-40.58
CC1=CC=C(OC(C)C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004604299	1	33	-1.0	-46.91	279.88	6.29	-40.62
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=N[N-]N=N1	REAL250004604300	0	33	-1.0	-50.56	284.24	0.08	-50.48
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=NN=N[N-]1	REAL250004604300	1	33	-1.0	-50.63	284.14	0.09	-50.54
O=C(NC1=NN=N[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004604301	0	26	-1.0	-46.51	245.61	6.57	-39.94
O=C(NC1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004604301	1	26	-1.0	-46.43	245.71	6.57	-39.86
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004604302	0	29	-1.0	-44.00	263.19	5.50	-38.50
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004604302	1	29	-1.0	-43.94	263.28	5.49	-38.45
O=C(NC1=NN=N[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL250004604303	0	18	-1.0	-40.26	223.62	2.13	-38.13
O=C(NC1=N[N-]N=N1)C1=C(Cl)SC2=C1SN=N2	REAL250004604303	1	18	-1.0	-40.20	223.72	2.12	-38.08
COC(=O)C1=COC2=C1NC(C(=O)NC1=NN=N[N-]1)=C2	REAL250004604304	0	27	-1.0	-47.48	258.78	2.60	-44.88
COC(=O)C1=COC2=C1NC(C(=O)NC1=N[N-]N=N1)=C2	REAL250004604304	1	27	-1.0	-47.40	258.89	2.59	-44.81
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL250004604305	0	25	-1.0	-50.62	248.40	2.51	-48.11
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL250004604305	1	25	-1.0	-50.57	248.50	2.50	-48.07
O=C(NC1=NN=N[N-]1)C1=CC(CC2=CC=CC=C2)=CN1	REAL250004604306	0	31	-1.0	-47.94	277.78	6.06	-41.88
O=C(NC1=N[N-]N=N1)C1=CC(CC2=CC=CC=C2)=CN1	REAL250004604306	1	31	-1.0	-47.86	277.89	6.05	-41.81
COC(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL250004604307	0	29	-1.0	-48.55	252.34	5.01	-43.54
COC(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL250004604307	1	29	-1.0	-48.48	252.43	5.00	-43.48
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC=CC1	REAL250004604308	0	38	-1.0	-50.45	309.47	3.25	-47.20
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC=CC1	REAL250004604308	1	38	-1.0	-50.50	309.38	3.25	-47.25
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL250004604309	0	27	-1.0	-45.16	252.37	6.24	-38.92
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)C=C1	REAL250004604309	1	27	-1.0	-45.09	252.47	6.23	-38.86
O=C(NC1=NN=N[N-]1)C1=CC=C2CCOC(=O)C2=C1	REAL250004604310	0	27	-1.0	-55.51	243.19	4.75	-50.76
O=C(NC1=N[N-]N=N1)C1=CC=C2CCOC(=O)C2=C1	REAL250004604310	1	27	-1.0	-55.47	243.29	4.73	-50.74
O=C(NC1=NN=N[N-]1)C1=CN(CC(F)(F)F)C=N1	REAL250004604311	0	23	-1.0	-51.28	233.56	4.35	-46.93
O=C(NC1=N[N-]N=N1)C1=CN(CC(F)(F)F)C=N1	REAL250004604311	1	23	-1.0	-51.16	233.72	4.33	-46.83
O=C(CCCCC1CSSC1)NC1=N[N-]N=N1	REAL250004604312	0	31	-1.0	-47.13	279.99	6.96	-40.17
O=C(CCCCC1CSSC1)NC1=NN=N[N-]1	REAL250004604312	1	31	-1.0	-47.24	279.89	6.98	-40.26
CNC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604313	0	32	-1.0	-51.76	262.79	1.77	-49.99
CNC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604313	1	32	-1.0	-51.85	262.70	1.80	-50.05
O=C(NC1=NN=N[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004604314	0	25	-1.0	-42.56	238.62	4.71	-37.85
O=C(NC1=N[N-]N=N1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004604314	1	25	-1.0	-42.52	238.71	4.71	-37.81
CC1=CC2=CC=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604315	0	28	-1.0	-55.70	247.84	5.27	-50.43
CC1=CC2=CC=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604315	1	28	-1.0	-55.67	247.94	5.27	-50.40
O=C(CC1=CC(Br)=CS1)NC1=N[N-]N=N1	REAL250004604316	0	20	-1.0	-43.47	223.84	4.20	-39.27
O=C(CC1=CC(Br)=CS1)NC1=NN=N[N-]1	REAL250004604316	1	20	-1.0	-43.51	223.75	4.22	-39.29
CN1C=C(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004604317	0	30	-1.0	-52.87	263.16	5.08	-47.79
CN1C=C(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004604317	1	30	-1.0	-52.79	263.25	5.08	-47.71
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004604318	0	28	-1.0	-46.41	250.23	4.43	-41.98
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004604318	1	28	-1.0	-46.32	250.33	4.43	-41.89
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NC1=N[N-]N=N1	REAL250004604319	0	31	-1.0	-45.80	290.28	7.79	-38.01
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NC1=NN=N[N-]1	REAL250004604319	1	31	-1.0	-45.90	290.17	7.79	-38.11
COC1(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)COC1	REAL250004604320	0	32	-1.0	-49.61	267.91	3.10	-46.51
COC1(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)COC1	REAL250004604320	1	32	-1.0	-49.56	268.01	3.09	-46.47
COCCN1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004604321	0	34	-1.0	-50.94	293.99	5.47	-45.47
COCCN1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004604321	1	34	-1.0	-50.82	294.56	5.48	-45.34
CC(C)N1C=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C21	REAL250004604322	0	33	-1.0	-51.69	278.58	6.91	-44.78
CC(C)N1C=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C21	REAL250004604322	1	33	-1.0	-51.58	278.97	6.90	-44.68
CCC(CC(=O)NC1=N[N-]N=N1)CC(F)(F)F	REAL250004604323	0	28	-1.0	-46.54	237.86	4.26	-42.28
CCC(CC(=O)NC1=NN=N[N-]1)CC(F)(F)F	REAL250004604323	1	28	-1.0	-46.62	237.77	4.27	-42.35
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL250004604324	0	26	-1.0	-40.39	258.65	5.09	-35.30
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL250004604324	1	26	-1.0	-40.30	258.75	5.07	-35.23
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL250004604325	0	27	-1.0	-40.80	249.54	4.48	-36.32
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL250004604325	1	27	-1.0	-40.72	249.64	4.47	-36.25
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1F	REAL250004604326	0	20	-1.0	-46.14	214.40	4.45	-41.69
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1F	REAL250004604326	1	20	-1.0	-46.08	214.50	4.43	-41.65
COC(=O)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604327	0	29	-1.0	-50.21	264.36	5.26	-44.95
COC(=O)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604327	1	29	-1.0	-50.08	264.45	5.24	-44.84
NC1=C(C(=O)NC2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL250004604328	0	22	-1.0	-37.00	216.01	2.24	-34.76
NC1=C(C(=O)NC2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL250004604328	1	22	-1.0	-36.86	216.11	2.23	-34.63
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=N[N-]N=N1	REAL250004604329	0	37	-1.0	-53.09	300.47	4.20	-48.89
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=NN=N[N-]1	REAL250004604329	1	37	-1.0	-53.16	300.37	4.21	-48.95
O=C(NC1=NN=N[N-]1)C1=C(Br)C=CN=C1F	REAL250004604330	0	19	-1.0	-46.58	212.53	2.37	-44.21
O=C(NC1=N[N-]N=N1)C1=C(Br)C=CN=C1F	REAL250004604330	1	19	-1.0	-46.55	212.63	2.35	-44.20
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004604331	0	22	-1.0	-41.35	222.52	1.74	-39.61
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004604331	1	22	-1.0	-41.29	222.62	1.72	-39.57
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL250004604332	0	30	-1.0	-51.80	268.61	2.34	-49.46
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL250004604332	1	30	-1.0	-51.75	268.71	2.33	-49.42
O=C(NC1=N[N-]N=N1)C12CCN(CCC1)S2(=O)=O	REAL250004604333	0	29	-1.0	-52.58	245.94	-0.01	-52.59
O=C(NC1=NN=N[N-]1)C12CCN(CCC1)S2(=O)=O	REAL250004604333	1	29	-1.0	-52.69	245.84	0.01	-52.68
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004604334	0	29	-1.0	-53.40	266.89	3.52	-49.88
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004604334	1	29	-1.0	-53.34	266.99	3.52	-49.82
CC1=CC=CC(C2(C(=O)NC3=N[N-]N=N3)CC2(F)F)=C1	REAL250004604335	0	30	-1.0	-46.75	276.00	6.52	-40.23
CC1=CC=CC(C2(C(=O)NC3=NN=N[N-]3)CC2(F)F)=C1	REAL250004604335	1	30	-1.0	-46.79	275.90	6.53	-40.26
O=C(NC1=N[N-]N=N1)C1=C(C2CC2)ON=C1Br	REAL250004604336	0	23	-1.0	-39.79	242.33	4.10	-35.69
O=C(NC1=NN=N[N-]1)C1=C(C2CC2)ON=C1Br	REAL250004604336	1	23	-1.0	-39.86	242.24	4.12	-35.74
O=C(NC1=NN=N[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL250004604337	0	21	-1.0	-42.40	223.29	2.44	-39.96
O=C(NC1=N[N-]N=N1)C1=CC2=C(N1)C(Br)=CO2	REAL250004604337	1	21	-1.0	-42.32	223.40	2.43	-39.89
CC(C)C1=CNC2=CC(C(=O)NC3=NN=N[N-]3)=NC2=C1	REAL250004604338	0	32	-1.0	-62.53	277.31	3.84	-58.69
CC(C)C1=CNC2=CC(C(=O)NC3=N[N-]N=N3)=NC2=C1	REAL250004604338	1	32	-1.0	-62.44	277.41	3.83	-58.61
C=CCN(CCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004604339	0	40	-1.0	-46.04	329.77	5.31	-40.73
C=CCN(CCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004604339	1	40	-1.0	-46.12	329.68	5.32	-40.80
CC1=C(C(=O)NC2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL250004604340	0	29	-1.0	-45.53	245.57	6.64	-38.89
CC1=C(C(=O)NC2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL250004604340	1	29	-1.0	-45.44	245.67	6.63	-38.81
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC(=O)CC2)C=C1	REAL250004604341	0	38	-1.0	-45.54	303.88	6.80	-38.74
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC(=O)CC2)C=C1	REAL250004604341	1	38	-1.0	-45.59	303.79	6.81	-38.78
O=C(NC1=N[N-]N=N1)C1(C2CCOCC2)CC1(F)F	REAL250004604342	0	31	-1.0	-46.55	257.52	3.93	-42.62
O=C(NC1=NN=N[N-]1)C1(C2CCOCC2)CC1(F)F	REAL250004604342	1	31	-1.0	-46.65	257.43	3.95	-42.70
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CC(F)F	REAL250004604343	0	26	-1.0	-46.04	243.04	3.16	-42.88
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CC(F)F	REAL250004604343	1	26	-1.0	-46.07	242.94	3.18	-42.89
COC1(C(=O)NC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL250004604344	0	38	-1.0	-48.58	316.08	2.04	-46.54
COC1(C(=O)NC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL250004604344	1	38	-1.0	-48.60	315.99	2.06	-46.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL250004604345	0	23	-1.0	-49.25	234.60	5.02	-44.23
O=C(NC1=N[N-]N=N1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL250004604345	1	23	-1.0	-49.15	234.69	5.02	-44.13
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004604346	0	27	-1.0	-47.22	262.10	6.24	-40.98
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004604346	1	27	-1.0	-47.27	262.01	6.26	-41.01
CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004604347	0	27	-1.0	-52.23	248.23	2.77	-49.46
CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004604347	1	27	-1.0	-52.14	248.33	2.77	-49.37
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=N[N-]N=N1	REAL250004604348	0	23	-1.0	-46.31	233.78	3.69	-42.62
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=NN=N[N-]1	REAL250004604348	1	23	-1.0	-46.40	233.69	3.70	-42.70
CC1=C2C=C(C(=O)NC3=NN=N[N-]3)SC2=C(C)S1	REAL250004604349	0	26	-1.0	-44.86	261.24	5.77	-39.09
CC1=C2C=C(C(=O)NC3=N[N-]N=N3)SC2=C(C)S1	REAL250004604349	1	26	-1.0	-44.82	261.34	5.76	-39.06
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=N[N-]N=N1)C2	REAL250004604350	0	32	-1.0	-49.25	261.72	0.51	-48.74
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=NN=N[N-]1)C2	REAL250004604350	1	32	-1.0	-49.36	261.62	0.53	-48.83
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=NN=N[N-]1	REAL250004604351	0	27	-1.0	-47.81	251.72	6.03	-41.78
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=N[N-]N=N1	REAL250004604351	1	27	-1.0	-47.70	251.81	6.02	-41.68
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCC2=O)OC1=O	REAL250004604352	0	28	-1.0	-55.75	253.30	4.67	-51.08
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL250004604352	1	28	-1.0	-55.84	253.20	4.67	-51.17
COC1=CC2=NC=CC(C(=O)NC3=NN=N[N-]3)=C2C=C1	REAL250004604353	0	29	-1.0	-44.19	252.92	3.48	-40.71
COC1=CC2=NC=CC(C(=O)NC3=N[N-]N=N3)=C2C=C1	REAL250004604353	1	29	-1.0	-44.07	253.02	3.48	-40.59
CCSC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604354	0	33	-1.0	-48.88	269.76	5.82	-43.06
CCSC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604354	1	33	-1.0	-48.96	269.65	5.84	-43.12
CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004604355	0	29	-1.0	-45.97	254.82	6.73	-39.24
CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004604355	1	29	-1.0	-45.91	254.92	6.71	-39.20
O=C(NC1=NN=N[N-]1)C1=CSC(Cl)=C1Cl	REAL250004604356	0	17	-1.0	-45.03	208.73	3.84	-41.19
O=C(NC1=N[N-]N=N1)C1=CSC(Cl)=C1Cl	REAL250004604356	1	17	-1.0	-44.97	208.83	3.83	-41.14
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL250004604357	0	32	-1.0	-53.71	280.73	3.29	-50.42
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2CCOCC2=O)=C1	REAL250004604357	1	32	-1.0	-53.62	280.83	3.26	-50.36
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004604358	0	27	-1.0	-45.24	254.79	5.04	-40.20
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004604358	1	27	-1.0	-45.16	254.89	5.03	-40.13
O=C(NC1=N[N-]N=N1)C1=CNC=C1Br	REAL250004604359	0	18	-1.0	-51.21	194.23	2.28	-48.93
O=C(NC1=NN=N[N-]1)C1=CNC=C1Br	REAL250004604359	1	18	-1.0	-51.35	194.13	2.29	-49.06
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=N[N-]N=N1	REAL250004604360	0	30	-1.0	-54.86	285.35	3.42	-51.44
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=NN=N[N-]1	REAL250004604360	1	30	-1.0	-54.93	285.26	3.44	-51.49
O=C(NC1=N[N-]N=N1)C1CC(OC(F)(F)F)C1	REAL250004604361	0	24	-1.0	-44.99	231.12	2.34	-42.65
O=C(NC1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL250004604361	1	24	-1.0	-45.01	231.03	2.35	-42.66
CS(=O)(=O)C1=COC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604362	0	23	-1.0	-51.27	234.68	-0.72	-51.99
CS(=O)(=O)C1=COC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604362	1	23	-1.0	-51.16	234.78	-0.74	-51.90
O=C(CC1=CC=C2COCCC2=C1)NC1=N[N-]N=N1	REAL250004604363	0	31	-1.0	-47.03	265.86	4.56	-42.47
O=C(CC1=CC=C2COCCC2=C1)NC1=NN=N[N-]1	REAL250004604363	1	31	-1.0	-47.07	265.77	4.57	-42.50
O=C(CC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004604364	0	31	-1.0	-47.04	265.86	4.55	-42.49
O=C(CC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004604364	1	31	-1.0	-47.09	265.76	4.57	-42.52
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004604365	0	29	-1.0	-42.65	263.19	5.49	-37.16
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004604365	1	29	-1.0	-42.61	263.29	5.49	-37.12
CC1=NC(C(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL250004604366	0	22	-1.0	-41.69	224.44	3.20	-38.49
CC1=NC(C(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL250004604366	1	22	-1.0	-41.74	224.34	3.19	-38.55
COC1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL250004604367	0	23	-1.0	-46.15	233.44	3.20	-42.95
COC1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL250004604367	1	23	-1.0	-46.08	233.54	3.19	-42.89
O=C(NC1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL250004604368	0	27	-1.0	-50.64	251.87	5.10	-45.54
O=C(NC1=N[N-]N=N1)C1=CC=C2SCCC(=O)C2=C1	REAL250004604368	1	27	-1.0	-50.55	251.97	5.09	-45.46
CCC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C=C1	REAL250004604369	0	32	-1.0	-43.68	287.58	4.95	-38.73
CCC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C=C1	REAL250004604369	1	32	-1.0	-43.63	287.69	4.94	-38.69
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004604371	0	41	-1.0	-44.55	325.99	8.49	-36.06
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004604371	1	41	-1.0	-44.65	325.90	8.51	-36.14
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL250004604372	0	31	-1.0	-42.67	269.86	5.63	-37.04
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL250004604372	1	31	-1.0	-42.60	269.96	5.61	-36.99
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604373	0	28	-1.0	-41.86	262.57	3.94	-37.92
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604373	1	28	-1.0	-49.19	262.71	3.91	-45.28
CC1(C)CCC(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004604374	0	35	-1.0	-52.60	285.89	6.22	-46.38
CC1(C)CCC(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004604374	1	35	-1.0	-52.53	285.99	6.21	-46.32
O=C(NC1=N[N-]N=N1)C1CCC(=O)N(C2CC2)C1	REAL250004604375	0	31	-1.0	-43.91	257.77	3.47	-40.44
O=C(NC1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL250004604375	1	31	-1.0	-43.94	257.67	3.49	-40.45
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=N[N-]N=N1	REAL250004604376	0	36	-1.0	-46.52	296.15	3.31	-43.21
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=NN=N[N-]1	REAL250004604376	1	36	-1.0	-46.58	296.06	3.32	-43.26
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL250004604377	0	33	-1.0	-48.70	284.56	4.97	-43.73
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL250004604377	1	33	-1.0	-48.76	284.47	4.98	-43.78
O=C(NC1=N[N-]N=N1)C1CCC(=O)N(CC(F)(F)F)C1	REAL250004604378	0	30	-1.0	-45.67	266.47	3.34	-42.33
O=C(NC1=NN=N[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL250004604378	1	30	-1.0	-45.72	266.38	3.36	-42.36
CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL250004604379	0	26	-1.0	-44.37	242.84	5.59	-38.78
CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL250004604379	1	26	-1.0	-44.32	242.94	5.58	-38.74
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=NN=N[N-]1	REAL250004604380	0	34	-1.0	-42.84	284.37	2.94	-39.90
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=N[N-]N=N1	REAL250004604380	1	34	-1.0	-42.77	284.46	2.91	-39.86
O=C(NC1=NN=N[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004604381	0	22	-1.0	-48.09	234.65	3.85	-44.24
O=C(NC1=N[N-]N=N1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004604381	1	22	-1.0	-48.02	234.75	3.84	-44.18
N#CC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C(F)=C1	REAL250004604382	0	27	-1.0	-46.01	259.83	5.68	-40.33
N#CC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C(F)=C1	REAL250004604382	1	27	-1.0	-46.12	259.74	5.70	-40.42
O=C(NC1=NN=N[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004604383	0	26	-1.0	-47.68	242.65	1.11	-46.57
O=C(NC1=N[N-]N=N1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004604383	1	26	-1.0	-47.64	242.75	1.11	-46.53
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004604384	0	28	-1.0	-43.64	249.86	5.88	-37.76
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004604384	1	28	-1.0	-43.62	249.94	5.87	-37.75
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=CC=C1Cl	REAL250004604385	0	30	-1.0	-42.81	262.07	6.50	-36.31
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL250004604385	1	30	-1.0	-42.90	261.97	6.51	-36.39
COCCN1C=CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004604386	0	34	-1.0	-48.51	296.65	5.53	-42.98
COCCN1C=CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004604386	1	34	-1.0	-48.43	296.75	5.52	-42.91
CC(C)N1C=CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004604387	0	33	-1.0	-48.52	281.01	6.93	-41.59
CC(C)N1C=CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004604387	1	33	-1.0	-48.48	281.11	6.92	-41.56
O=C(C=CC1=CC=C2OCOC2=C1)NC1=N[N-]N=N1	REAL250004604388	0	27	-1.0	-46.85	248.08	3.65	-43.20
O=C(C=CC1=CC=C2OCOC2=C1)NC1=NN=N[N-]1	REAL250004604388	1	27	-1.0	-46.95	247.97	3.66	-43.29
C=CCOCC(C(=O)NC1=N[N-]N=N1)C(C)(C)C	REAL250004604389	0	36	-1.0	-41.59	285.18	5.15	-36.44
C=CCOCC(C(=O)NC1=NN=N[N-]1)C(C)(C)C	REAL250004604389	1	36	-1.0	-41.66	285.09	5.16	-36.50
CC12CCCN1S(=O)(=O)C(C(=O)NC1=N[N-]N=N1)C2	REAL250004604390	0	32	-1.0	-49.22	261.28	0.53	-48.69
CC12CCCN1S(=O)(=O)C(C(=O)NC1=NN=N[N-]1)C2	REAL250004604390	1	32	-1.0	-49.29	261.19	0.54	-48.75
O=C(NC1=NN=N[N-]1)C1=CC=NN1CCC(F)(F)F	REAL250004604391	0	26	-1.0	-41.55	249.28	3.52	-38.03
O=C(NC1=N[N-]N=N1)C1=CC=NN1CCC(F)(F)F	REAL250004604391	1	26	-1.0	-41.43	249.38	3.52	-37.91
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004604392	0	31	-1.0	-47.35	283.93	5.73	-41.62
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004604392	1	31	-1.0	-47.37	283.84	5.75	-41.62
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604393	0	26	-1.0	-39.39	261.69	2.81	-36.58
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604393	1	26	-1.0	-39.43	261.61	2.82	-36.61
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=N[N-]N=N1	REAL250004604394	0	24	-1.0	-45.88	244.27	5.54	-40.34
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=NN=N[N-]1	REAL250004604394	1	24	-1.0	-45.97	244.17	5.54	-40.43
CC(=O)NC(COC(C)C)C(=O)NC1=N[N-]N=N1	REAL250004604395	0	33	-1.0	-50.91	279.67	1.77	-49.14
CC(=O)NC(COC(C)C)C(=O)NC1=NN=N[N-]1	REAL250004604395	1	33	-1.0	-50.99	279.57	1.78	-49.21
CCCCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004604396	0	37	-1.0	-45.11	316.30	6.80	-38.31
CCCCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004604396	1	37	-1.0	-45.20	316.20	6.80	-38.40
COC1=CC2=CC=C(CC(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004604397	0	33	-1.0	-47.84	287.61	6.02	-41.82
COC1=CC2=CC=C(CC(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004604397	1	33	-1.0	-47.92	287.51	6.04	-41.88
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004604398	0	38	-1.0	-42.37	302.47	7.53	-34.84
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004604398	1	38	-1.0	-42.38	302.38	7.55	-34.83
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL250004604399	0	26	-1.0	-43.84	252.00	1.40	-42.44
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL250004604399	1	26	-1.0	-43.91	251.90	1.41	-42.50
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=NN=N[N-]1	REAL250004604400	0	30	-1.0	-61.58	279.82	3.11	-58.47
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=N[N-]N=N1	REAL250004604400	1	30	-1.0	-61.54	279.91	3.10	-58.44
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL250004604401	0	26	-1.0	-47.32	249.63	4.46	-42.86
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL250004604401	1	26	-1.0	-47.41	249.53	4.48	-42.93
O=C(NC1=NN=N[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL250004604402	0	25	-1.0	-42.46	231.27	4.38	-38.08
O=C(NC1=N[N-]N=N1)C1=NC=C(F)C2=CC=CC=C21	REAL250004604402	1	25	-1.0	-42.41	231.37	4.38	-38.03
COC(=O)C1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=N1	REAL250004604403	0	29	-1.0	-46.78	272.64	3.84	-42.94
COC(=O)C1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=N1	REAL250004604403	1	29	-1.0	-46.86	272.54	3.85	-43.01
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004604404	0	29	-1.0	-44.18	267.67	5.96	-38.22
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004604404	1	29	-1.0	-44.29	267.57	5.97	-38.32
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004604405	0	29	-1.0	-43.43	259.68	5.83	-37.60
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004604405	1	29	-1.0	-43.52	259.59	5.84	-37.68
O=C(NC1=NN=N[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL250004604406	0	27	-1.0	-53.64	250.77	3.96	-49.68
O=C(NC1=N[N-]N=N1)C1=CC(C2=NNC=C2)=CC=C1F	REAL250004604406	1	27	-1.0	-53.55	250.86	3.91	-49.64
CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C(F)=C1	REAL250004604407	0	30	-1.0	-48.85	266.78	6.39	-42.46
CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C(F)=C1	REAL250004604407	1	30	-1.0	-48.92	266.68	6.40	-42.52
CCCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC	REAL250004604409	0	31	-1.0	-45.45	264.99	2.85	-42.60
CCCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC	REAL250004604409	1	31	-1.0	-45.53	264.89	2.87	-42.66
CCC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL250004604410	0	28	-1.0	-47.87	269.75	3.15	-44.72
CCC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL250004604410	1	28	-1.0	-47.83	269.85	3.14	-44.69
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL250004604411	0	30	-1.0	-51.49	265.03	4.86	-46.63
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL250004604411	1	30	-1.0	-51.39	265.12	4.85	-46.54
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=N[N-]N=N1	REAL250004604412	0	32	-1.0	-46.36	285.17	2.21	-44.15
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=NN=N[N-]1	REAL250004604412	1	32	-1.0	-46.46	285.08	2.22	-44.24
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=N[N-]N=N1	REAL250004604413	0	31	-1.0	-48.20	271.98	3.66	-44.54
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=NN=N[N-]1	REAL250004604413	1	31	-1.0	-48.29	271.89	3.68	-44.61
CSC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004604414	0	26	-1.0	-41.36	251.15	5.35	-36.01
CSC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004604414	1	26	-1.0	-41.31	251.24	5.33	-35.98
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=N[N-]N=N1	REAL250004604415	0	30	-1.0	-51.60	263.16	5.52	-46.08
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=NN=N[N-]1	REAL250004604415	1	30	-1.0	-51.62	263.07	5.53	-46.09
NS(=O)(=O)C1=COC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604416	0	22	-1.0	-49.27	228.07	-3.29	-52.56
NS(=O)(=O)C1=COC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604416	1	22	-1.0	-49.16	228.18	-3.31	-52.47
N#CC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=NN2C=C1	REAL250004604417	0	24	-1.0	-50.46	235.85	3.96	-46.50
N#CC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=NN2C=C1	REAL250004604417	1	24	-1.0	-50.35	235.95	3.95	-46.40
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004604418	0	34	-1.0	-52.79	290.74	2.68	-50.11
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004604418	1	34	-1.0	-52.88	290.65	2.70	-50.18
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL250004604419	0	24	-1.0	-42.69	242.89	3.18	-39.51
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL250004604419	1	24	-1.0	-42.72	242.79	3.20	-39.52
C[C@@H]1CC2=C(NN=C2C(=O)NC2=N[N-]N=N2)[C@H](C)O1	REAL250004604420	0	31	-1.0	-46.38	265.28	1.74	-44.64
C[C@@H]1CC2=C(NN=C2C(=O)NC2=NN=N[N-]2)[C@H](C)O1	REAL250004604420	1	31	-1.0	-46.45	265.18	1.76	-44.69
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004604421	0	41	-1.0	-50.20	322.88	6.70	-43.50
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004604421	1	41	-1.0	-50.27	322.78	6.72	-43.55
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL250004604422	0	29	-1.0	-49.89	268.78	4.55	-45.34
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004604422	1	29	-1.0	-49.79	268.88	4.54	-45.25
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL250004604423	0	27	-1.0	-50.15	263.75	4.53	-45.62
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004604423	1	27	-1.0	-50.08	263.85	4.52	-45.56
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC=C2F)=NO1	REAL250004604424	0	28	-1.0	-54.09	260.10	5.22	-48.87
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL250004604424	1	28	-1.0	-54.07	260.00	5.24	-48.83
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004604425	0	27	-1.0	-46.73	248.86	6.05	-40.68
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004604425	1	27	-1.0	-46.70	248.96	6.03	-40.67
O=C(NC1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Cl	REAL250004604426	0	25	-1.0	-41.16	244.85	4.04	-37.12
O=C(NC1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL250004604426	1	25	-1.0	-41.24	244.75	4.04	-37.20
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC1(F)F	REAL250004604427	0	27	-1.0	-48.83	250.15	5.61	-43.22
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC1(F)F	REAL250004604427	1	27	-1.0	-48.93	250.06	5.62	-43.31
CN(C)C1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004604428	0	34	-1.0	-47.09	284.40	6.44	-40.65
CN(C)C1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004604428	1	34	-1.0	-47.01	284.50	6.43	-40.58
O=C(NC1=N[N-]N=N1)C1(CC2=NNN=C2)CCCC1	REAL250004604429	0	32	-1.0	-50.30	263.89	2.71	-47.59
O=C(NC1=NN=N[N-]1)C1(CC2=NNN=C2)CCCC1	REAL250004604429	1	32	-1.0	-50.40	263.79	2.73	-47.67
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604430	0	41	-1.0	-44.68	321.27	5.93	-38.75
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604430	1	41	-1.0	-44.63	321.36	5.92	-38.71
C#CC1=CC=C(C2CC2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604431	0	29	-1.0	-48.89	259.28	6.94	-41.95
C#CC1=CC=C(C2CC2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604431	1	29	-1.0	-48.96	259.19	6.95	-42.01
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL250004604432	0	28	-1.0	-49.09	251.23	4.60	-44.49
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL250004604432	1	28	-1.0	-49.03	251.32	4.59	-44.44
CN1N=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL250004604433	0	32	-1.0	-43.33	279.08	4.90	-38.43
CN1N=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL250004604433	1	32	-1.0	-43.26	279.18	4.90	-38.36
O=C(NC1=N[N-]N=N1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004604434	0	30	-1.0	-43.69	260.46	5.16	-38.53
O=C(NC1=NN=N[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004604434	1	30	-1.0	-43.74	260.36	5.17	-38.57
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004604435	0	40	-1.0	-55.65	322.95	2.97	-52.68
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004604435	1	40	-1.0	-55.77	322.86	2.98	-52.79
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=N[N-]N=N1	REAL250004604436	0	36	-1.0	-49.40	299.05	3.50	-45.90
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=NN=N[N-]1	REAL250004604436	1	36	-1.0	-49.41	298.96	3.53	-45.88
CC=CC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C(OC)=C1	REAL250004604437	0	35	-1.0	-51.72	303.07	6.05	-45.67
CC=CC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C(OC)=C1	REAL250004604437	1	35	-1.0	-51.80	302.98	6.06	-45.74
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004604438	0	27	-1.0	-45.38	249.18	2.52	-42.86
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004604438	1	27	-1.0	-45.41	249.08	2.53	-42.88
O=C(NC1=N[N-]N=N1)C1CCC(OC2=CC=CC=C2)CC1	REAL250004604439	0	37	-1.0	-51.36	293.09	6.28	-45.08
O=C(NC1=NN=N[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL250004604439	1	37	-1.0	-51.45	292.99	6.31	-45.14
CC1=NN=C(CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)O1	REAL250004604440	0	31	-1.0	-50.79	282.41	1.17	-49.62
CC1=NN=C(CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)O1	REAL250004604440	1	31	-1.0	-50.87	282.31	1.18	-49.69
CC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C2C(F)=C1	REAL250004604441	0	28	-1.0	-44.56	256.30	4.93	-39.63
CC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C2C(F)=C1	REAL250004604441	1	28	-1.0	-44.41	256.40	4.92	-39.49
CN1C=C(C2=NC(C(=O)NC3=NN=N[N-]3)=CO2)C=N1	REAL250004604442	0	26	-1.0	-47.89	251.36	-0.01	-47.90
CN1C=C(C2=NC(C(=O)NC3=N[N-]N=N3)=CO2)C=N1	REAL250004604442	1	26	-1.0	-47.71	251.37	-0.04	-47.75
COC1=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C(C)C=C1	REAL250004604443	0	31	-1.0	-46.09	271.87	3.70	-42.39
COC1=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C(C)C=C1	REAL250004604443	1	31	-1.0	-46.01	271.97	3.69	-42.32
CCCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL250004604444	0	36	-1.0	-45.84	306.50	6.28	-39.56
CCCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL250004604444	1	36	-1.0	-45.90	306.41	6.30	-39.60
COC1=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004604445	0	29	-1.0	-44.64	260.63	2.69	-41.95
COC1=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004604445	1	29	-1.0	-44.55	260.73	2.68	-41.87
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL250004604446	0	17	-1.0	-38.87	212.57	3.92	-34.95
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL250004604446	1	17	-1.0	-38.81	212.67	3.90	-34.91
COC1CC2(C1)CCC(C(=O)NC1=N[N-]N=N1)CC2	REAL250004604447	0	37	-1.0	-45.06	290.59	4.66	-40.40
COC1CC2(C1)CCC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004604447	1	37	-1.0	-45.14	290.50	4.67	-40.47
CCCC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004604448	0	38	-1.0	-46.71	308.49	7.85	-38.86
CCCC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004604448	1	38	-1.0	-46.75	308.40	7.86	-38.89
CCC(C)(C)C1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604449	0	41	-1.0	-45.49	289.81	6.38	-39.11
CCC(C)(C)C1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604449	1	41	-1.0	-45.57	289.70	6.40	-39.17
CC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=CN=C2C=C1	REAL250004604450	0	28	-1.0	-44.29	250.08	4.83	-39.46
CC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=CN=C2C=C1	REAL250004604450	1	28	-1.0	-44.23	250.18	4.83	-39.40
CN1C=C(C2=CC(C(=O)NC3=NN=N[N-]3)=NO2)N=N1	REAL250004604451	0	25	-1.0	-48.93	244.97	1.41	-47.52
CN1C=C(C2=CC(C(=O)NC3=N[N-]N=N3)=NO2)N=N1	REAL250004604451	1	25	-1.0	-48.85	245.07	1.40	-47.45
O=C(NC1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250004604452	0	27	-1.0	-51.68	243.36	3.56	-48.12
O=C(NC1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL250004604452	1	27	-1.0	-51.56	243.46	3.55	-48.01
CCC(CCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004604453	0	35	-1.0	-46.55	287.09	7.09	-39.46
CCC(CCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004604453	1	35	-1.0	-46.62	286.99	7.11	-39.51
COC1(C(F)(F)C(=O)NC2=N[N-]N=N2)CCCC1	REAL250004604454	0	30	-1.0	-40.23	246.96	4.13	-36.10
COC1(C(F)(F)C(=O)NC2=NN=N[N-]2)CCCC1	REAL250004604454	1	30	-1.0	-40.23	246.86	4.14	-36.09
O=C(CCC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004604455	0	34	-1.0	-44.57	287.26	5.36	-39.21
O=C(CCC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004604455	1	34	-1.0	-44.64	287.16	5.38	-39.26
O=C(NC1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL250004604456	0	30	-1.0	-45.53	253.85	5.43	-40.10
O=C(NC1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL250004604456	1	30	-1.0	-45.62	253.75	5.43	-40.19
CC1=CC=C(C(=O)NC2=NN=N[N-]2)N=C1Br	REAL250004604457	0	22	-1.0	-44.61	224.32	3.13	-41.48
CC1=CC=C(C(=O)NC2=N[N-]N=N2)N=C1Br	REAL250004604457	1	22	-1.0	-44.52	224.41	3.14	-41.38
CN(C)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004604458	0	30	-1.0	-41.81	268.10	5.10	-36.71
CN(C)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004604458	1	30	-1.0	-41.74	268.20	5.08	-36.66
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004604459	0	24	-1.0	-41.86	235.43	3.65	-38.21
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004604459	1	24	-1.0	-41.78	235.53	3.65	-38.13
COC(=O)C1=CSC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604460	0	23	-1.0	-48.05	235.45	3.47	-44.58
COC(=O)C1=CSC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604460	1	23	-1.0	-47.99	235.56	3.45	-44.54
N#CC1=CC=C(C2=C(C(=O)NC3=NN=N[N-]3)N=CO2)C=C1	REAL250004604461	0	27	-1.0	-46.24	263.63	2.61	-43.63
N#CC1=CC=C(C2=C(C(=O)NC3=N[N-]N=N3)N=CO2)C=C1	REAL250004604461	1	27	-1.0	-46.16	263.69	2.60	-43.56
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=NN=N[N-]3)C=NN21	REAL250004604462	0	34	-1.0	-55.45	285.57	5.21	-50.24
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=N[N-]N=N3)C=NN21	REAL250004604462	1	34	-1.0	-55.40	285.68	5.20	-50.20
O=C(NC1=N[N-]N=N1)C12CCCN1C(=O)CCCC2	REAL250004604463	0	34	-1.0	-46.13	265.72	4.13	-42.00
O=C(NC1=NN=N[N-]1)C12CCCN1C(=O)CCCC2	REAL250004604463	1	34	-1.0	-46.23	265.63	4.15	-42.08
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL250004604464	0	30	-1.0	-42.22	271.45	6.46	-35.76
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL250004604464	1	30	-1.0	-42.30	271.36	6.48	-35.82
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=N[N-]N=N1	REAL250004604465	0	31	-1.0	-49.66	262.77	5.51	-44.15
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=NN=N[N-]1	REAL250004604465	1	31	-1.0	-49.72	262.68	5.51	-44.21
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL250004604466	0	38	-1.0	-43.62	267.25	5.80	-37.82
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL250004604466	1	38	-1.0	-43.72	267.13	5.82	-37.90
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=N[N-]N=N3)C[C@@H]12	REAL250004604467	0	38	-1.0	-45.79	317.06	3.26	-42.53
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=NN=N[N-]3)C[C@@H]12	REAL250004604467	1	38	-1.0	-45.89	316.97	3.27	-42.62
CC1=C(C(=O)NC2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004604468	0	26	-1.0	-50.18	249.18	2.81	-47.37
CC1=C(C(=O)NC2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004604468	1	26	-1.0	-50.26	249.07	2.83	-47.43
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004604469	0	31	-1.0	-57.62	262.97	2.53	-55.09
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004604469	1	31	-1.0	-57.70	262.89	2.54	-55.16
CCC1=CC=C(C(=O)C(=O)NC2=N[N-]N=N2)S1	REAL250004604470	0	25	-1.0	-39.75	242.99	4.26	-35.49
CCC1=CC=C(C(=O)C(=O)NC2=NN=N[N-]2)S1	REAL250004604470	1	25	-1.0	-39.81	242.90	4.28	-35.53
CC1(C)OC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004604471	0	32	-1.0	-46.19	277.77	2.37	-43.82
CC1(C)OC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004604471	1	32	-1.0	-46.11	277.88	2.37	-43.74
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL250004604472	0	28	-1.0	-45.81	241.42	2.94	-42.87
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL250004604472	1	28	-1.0	-45.74	241.52	2.94	-42.80
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004604473	0	28	-1.0	-47.29	257.14	2.73	-44.56
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004604473	1	28	-1.0	-47.22	257.24	2.73	-44.49
COC(=O)C1=CC=CC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C12	REAL250004604474	0	32	-1.0	-44.92	278.20	6.53	-38.39
COC(=O)C1=CC=CC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C12	REAL250004604474	1	32	-1.0	-44.86	278.30	6.53	-38.33
O=C(NC1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL250004604475	0	27	-1.0	-41.06	236.71	0.46	-40.60
O=C(NC1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL250004604475	1	27	-1.0	-40.99	236.81	0.46	-40.53
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC=C1C(F)F	REAL250004604476	0	25	-1.0	-44.33	233.23	3.45	-40.88
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC=C1C(F)F	REAL250004604476	1	25	-1.0	-44.33	233.13	3.44	-40.89
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL250004604477	0	28	-1.0	-51.11	256.95	2.08	-49.03
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL250004604477	1	28	-1.0	-51.03	257.05	2.07	-48.96
CN(C)C(=O)C1=CN=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604478	0	29	-1.0	-42.70	254.54	1.88	-40.82
CN(C)C(=O)C1=CN=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604478	1	29	-1.0	-42.62	254.64	1.87	-40.75
O=C(NC1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004604479	0	24	-1.0	-47.77	242.03	3.00	-44.77
O=C(NC1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004604479	1	24	-1.0	-47.71	242.12	2.99	-44.72
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=N[N-]N=N2)C1	REAL250004604480	0	40	-1.0	-45.28	317.30	3.65	-41.63
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=NN=N[N-]2)C1	REAL250004604480	1	40	-1.0	-45.31	317.21	3.66	-41.65
COC1=CC=CC=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL250004604481	0	31	-1.0	-51.74	266.94	4.68	-47.06
COC1=CC=CC=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL250004604481	1	31	-1.0	-51.88	266.85	4.70	-47.18
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL250004604482	0	34	-1.0	-52.81	291.55	2.65	-50.16
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL250004604482	1	34	-1.0	-52.89	291.45	2.67	-50.22
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004604483	0	29	-1.0	-45.10	263.73	5.56	-39.54
O=C(NC1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL250004604484	0	32	-1.0	-46.73	266.10	3.09	-43.64
O=C(NC1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL250004604484	1	32	-1.0	-46.81	266.01	3.10	-43.71
CC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004604485	0	25	-1.0	-45.03	236.09	5.06	-39.97
CC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004604485	1	25	-1.0	-45.00	236.19	5.05	-39.95
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004604486	0	25	-1.0	-39.70	241.31	3.04	-36.66
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL250004604486	1	25	-1.0	-39.62	241.40	3.03	-36.59
O=C(NC1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL250004604487	0	29	-1.0	-38.48	265.30	6.18	-32.30
O=C(NC1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL250004604487	1	29	-1.0	-38.56	265.20	6.20	-32.36
CC1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)S1	REAL250004604488	0	23	-1.0	-43.42	238.53	5.11	-38.31
CC1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)S1	REAL250004604488	1	23	-1.0	-43.34	238.63	5.10	-38.24
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004604489	0	31	-1.0	-48.57	283.70	0.02	-48.55
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004604489	1	31	-1.0	-48.66	283.60	0.02	-48.64
CON(CCC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004604490	0	37	-1.0	-45.01	311.08	3.86	-41.15
CON(CCC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004604490	1	37	-1.0	-45.07	310.99	3.87	-41.20
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604491	0	33	-1.0	-40.48	287.96	2.40	-38.08
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604491	1	33	-1.0	-40.57	287.87	2.41	-38.16
COC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(F)C=N1	REAL250004604492	0	25	-1.0	-43.90	242.96	2.75	-41.15
COC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(F)C=N1	REAL250004604492	1	25	-1.0	-43.86	243.05	2.73	-41.13
CC(C)OCC1=CC=CC=C1CC(=O)NC1=N[N-]N=N1	REAL250004604493	0	36	-1.0	-45.96	303.56	5.97	-39.99
CC(C)OCC1=CC=CC=C1CC(=O)NC1=NN=N[N-]1	REAL250004604493	1	36	-1.0	-46.02	303.47	5.98	-40.04
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL250004604494	0	27	-1.0	-45.23	268.72	6.61	-38.62
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL250004604494	1	27	-1.0	-45.31	268.63	6.63	-38.68
O=C(NC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004604495	0	36	-1.0	-44.98	286.53	7.36	-37.62
O=C(NC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004604495	1	36	-1.0	-45.08	286.44	7.38	-37.70
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL250004604496	0	30	-1.0	-40.55	274.79	4.85	-35.70
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=NN1C1CCCC1	REAL250004604496	1	30	-1.0	-40.50	274.89	4.84	-35.66
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=CC=N2)=C1	REAL250004604497	0	26	-1.0	-49.53	245.21	2.09	-47.44
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=CC=N2)=C1	REAL250004604497	1	26	-1.0	-49.43	245.31	2.09	-47.34
O=C(NC1=NN=N[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL250004604498	0	30	-1.0	-53.16	275.34	0.17	-52.99
O=C(NC1=N[N-]N=N1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL250004604498	1	30	-1.0	-53.06	275.44	0.15	-52.91
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL250004604499	0	20	-1.0	-35.56	221.49	0.14	-35.42
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004604499	1	20	-1.0	-35.48	221.59	0.14	-35.34
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=NN=N[N-]1	REAL250004604500	0	35	-1.0	-47.86	303.24	3.89	-43.97
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=N[N-]N=N1	REAL250004604500	1	35	-1.0	-47.78	303.33	3.89	-43.89
O=C(NC1=N[N-]N=N1)C1=C(C2CCOCC2)ON=C1	REAL250004604503	0	30	-1.0	-40.06	258.48	2.94	-37.12
O=C(NC1=NN=N[N-]1)C1=C(C2CCOCC2)ON=C1	REAL250004604503	1	30	-1.0	-40.18	258.38	2.97	-37.21
CP(C)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604505	0	29	-1.0	-54.10	267.43	3.38	-50.72
CP(C)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604505	1	29	-1.0	-53.99	267.53	3.36	-50.63
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604506	0	30	-1.0	-53.07	275.55	1.22	-51.85
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604506	1	30	-1.0	-52.96	275.65	1.20	-51.76
CC(C)(C)OC(=O)NOCCCC(=O)NC1=N[N-]N=N1	REAL250004604507	0	37	-1.0	-53.53	313.52	2.67	-50.86
CC(C)(C)OC(=O)NOCCCC(=O)NC1=NN=N[N-]1	REAL250004604507	1	37	-1.0	-53.59	313.42	2.68	-50.91
O=C(NC1=N[N-]N=N1)C1=NOC(COC2=CC=CC=C2)=C1	REAL250004604508	0	30	-1.0	-44.30	278.02	4.49	-39.81
O=C(NC1=NN=N[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL250004604508	1	30	-1.0	-44.36	277.92	4.50	-39.86
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL250004604509	0	35	-1.0	-45.01	287.99	5.01	-40.00
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL250004604509	1	35	-1.0	-45.07	287.89	5.03	-40.04
CCCSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604510	0	30	-1.0	-47.00	270.55	6.48	-40.52
CCCSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604510	1	30	-1.0	-46.93	270.65	6.45	-40.48
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=N[N-]N=N1	REAL250004604511	0	34	-1.0	-45.50	278.70	5.48	-40.02
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=NN=N[N-]1	REAL250004604511	1	34	-1.0	-45.60	278.61	5.51	-40.09
COC1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004604512	0	23	-1.0	-44.09	229.34	1.17	-42.92
COC1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004604512	1	23	-1.0	-44.01	229.44	1.16	-42.85
CCCCSC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604513	0	33	-1.0	-47.05	292.05	7.26	-39.79
CCCCSC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604513	1	33	-1.0	-46.97	292.15	7.23	-39.74
CC1=NC=NC2=C1CC(C(=O)NC1=N[N-]N=N1)CC2	REAL250004604514	0	31	-1.0	-43.35	258.28	4.66	-38.69
CC1=NC=NC2=C1CC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004604514	1	31	-1.0	-43.43	258.19	4.68	-38.75
O=C(NC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1Cl	REAL250004604515	0	24	-1.0	-41.69	243.79	3.59	-38.10
O=C(NC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1Cl	REAL250004604515	1	24	-1.0	-41.79	243.69	3.61	-38.18
CC1C(=O)N(CC(=O)NC2=N[N-]N=N2)C(=O)C1C	REAL250004604516	0	29	-1.0	-50.89	253.40	2.56	-48.33
CC1C(=O)N(CC(=O)NC2=NN=N[N-]2)C(=O)C1C	REAL250004604516	1	29	-1.0	-50.97	253.31	2.57	-48.40
O=C(NC1=N[N-]N=N1)C1CCC(OC(F)(F)F)CC1	REAL250004604517	0	30	-1.0	-47.05	255.19	3.37	-43.68
O=C(NC1=NN=N[N-]1)C1CCC(OC(F)(F)F)CC1	REAL250004604517	1	30	-1.0	-47.16	255.09	3.39	-43.77
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=NN=N[N-]1	REAL250004604518	0	30	-1.0	-48.18	260.91	5.91	-42.27
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=N[N-]N=N1	REAL250004604518	1	30	-1.0	-48.14	261.01	5.90	-42.24
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004604519	0	25	-1.0	-44.68	235.59	-0.60	-45.28
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004604519	1	25	-1.0	-44.76	235.50	-0.60	-45.36
O=C(CC1CCC2(CCCC2)CC1)NC1=N[N-]N=N1	REAL250004604520	0	39	-1.0	-44.42	289.91	6.88	-37.54
O=C(CC1CCC2(CCCC2)CC1)NC1=NN=N[N-]1	REAL250004604520	1	39	-1.0	-44.51	289.82	6.90	-37.61
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004604521	0	26	-1.0	-45.45	254.67	4.83	-40.62
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004604521	1	26	-1.0	-45.38	254.77	4.82	-40.56
O=C(CC1COCC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004604522	0	31	-1.0	-45.52	257.47	4.33	-41.19
O=C(CC1COCC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004604522	1	31	-1.0	-45.59	257.37	4.34	-41.25
O=C(C#CC1=CC=C(Br)C=C1)NC1=N[N-]N=N1	REAL250004604523	0	22	-1.0	-41.45	240.57	5.78	-35.67
O=C(C#CC1=CC=C(Br)C=C1)NC1=NN=N[N-]1	REAL250004604523	1	22	-1.0	-41.17	240.48	5.78	-35.39
O=C(CC1CCCCCC1(F)F)NC1=N[N-]N=N1	REAL250004604524	0	32	-1.0	-41.26	250.01	5.17	-36.09
O=C(CC1CCCCCC1(F)F)NC1=NN=N[N-]1	REAL250004604524	1	32	-1.0	-41.32	249.92	5.18	-36.14
COC(=O)C1=CC=C2NN=C(C(=O)NC3=NN=N[N-]3)C2=C1	REAL250004604525	0	29	-1.0	-53.85	271.02	3.11	-50.74
COC(=O)C1=CC=C2NN=C(C(=O)NC3=N[N-]N=N3)C2=C1	REAL250004604525	1	29	-1.0	-53.78	271.12	3.10	-50.68
CC1=NOC(C(=O)NC2=NN=N[N-]2)(C2=CC=CC=C2)C1	REAL250004604526	0	31	-1.0	-46.35	272.29	4.66	-41.69
CC1=NOC(C(=O)NC2=N[N-]N=N2)(C2=CC=CC=C2)C1	REAL250004604526	1	31	-1.0	-46.28	272.38	4.64	-41.64
CC(C)(C)OC(=O)C12CC(C(=O)NC3=N[N-]N=N3)(C1)CO2	REAL250004604527	0	37	-1.0	-43.08	307.81	4.04	-39.04
CC(C)(C)OC(=O)C12CC(C(=O)NC3=NN=N[N-]3)(C1)CO2	REAL250004604527	1	37	-1.0	-43.16	307.71	4.05	-39.11
COC(=O)CC(C(=O)NC1=N[N-]N=N1)N1CCCCC1	REAL250004604528	0	37	-1.0	-42.70	293.78	3.32	-39.38
COC(=O)CC(C(=O)NC1=NN=N[N-]1)N1CCCCC1	REAL250004604528	1	37	-1.0	-42.76	293.68	3.33	-39.43
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NC2=N[N-]N=N2)C1	REAL250004604529	0	29	-1.0	-44.90	261.99	4.39	-40.51
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NC2=NN=N[N-]2)C1	REAL250004604529	1	29	-1.0	-45.01	261.90	4.40	-40.61
CCOC(=O)[C@H]1C[C@](F)(C(=O)NC2=N[N-]N=N2)C1	REAL250004604530	0	29	-1.0	-40.42	261.45	4.38	-36.04
CCOC(=O)[C@H]1C[C@](F)(C(=O)NC2=NN=N[N-]2)C1	REAL250004604530	1	29	-1.0	-40.44	261.36	4.38	-36.06
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL250004604531	0	32	-1.0	-45.67	284.06	7.05	-38.62
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL250004604531	1	32	-1.0	-53.86	284.12	7.05	-46.81
CC1CC(C(=O)NC2=N[N-]N=N2)CCS1(=O)=O	REAL250004604532	0	29	-1.0	-50.16	245.18	0.62	-49.54
CC1CC(C(=O)NC2=NN=N[N-]2)CCS1(=O)=O	REAL250004604532	1	29	-1.0	-50.26	245.09	0.63	-49.63
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004604533	0	34	-1.0	-44.04	275.49	7.35	-36.69
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004604533	1	34	-1.0	-44.07	275.40	7.36	-36.71
CC(C1CC1)N1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004604534	0	34	-1.0	-43.82	278.99	4.29	-39.53
CC(C1CC1)N1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004604534	1	34	-1.0	-43.91	278.89	4.30	-39.61
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=N[N-]N=N1	REAL250004604535	0	37	-1.0	-53.13	305.08	3.62	-49.51
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=NN=N[N-]1	REAL250004604535	1	37	-1.0	-53.15	304.99	3.63	-49.52
CCC1=CN2CC(C(=O)NC3=N[N-]N=N3)CCC2=N1	REAL250004604536	0	33	-1.0	-43.46	275.55	5.26	-38.20
CCC1=CN2CC(C(=O)NC3=NN=N[N-]3)CCC2=N1	REAL250004604536	1	33	-1.0	-43.50	275.46	5.27	-38.23
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004604537	0	33	-1.0	-46.35	290.20	8.26	-38.09
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004604537	1	33	-1.0	-46.30	290.30	8.25	-38.05
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004604538	0	25	-1.0	-44.12	237.78	3.66	-40.46
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004604538	1	25	-1.0	-44.21	237.68	3.65	-40.56
CC1(C)CC2=CC=CC(CC(=O)NC3=N[N-]N=N3)=C2O1	REAL250004604539	0	34	-1.0	-49.31	289.43	5.69	-43.62
CC1(C)CC2=CC=CC(CC(=O)NC3=NN=N[N-]3)=C2O1	REAL250004604539	1	34	-1.0	-49.40	289.34	5.71	-43.69
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=N[N-]N=N1	REAL250004604540	0	32	-1.0	-53.45	291.72	5.53	-47.92
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=NN=N[N-]1	REAL250004604540	1	32	-1.0	-53.50	291.63	5.55	-47.95
CN1C=NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1=O	REAL250004604541	0	28	-1.0	-55.91	253.87	4.48	-51.43
CN1C=NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1=O	REAL250004604541	1	28	-1.0	-55.87	253.97	4.47	-51.40
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004604542	0	40	-1.0	-51.30	320.91	3.28	-48.02
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004604542	1	40	-1.0	-51.40	320.81	3.29	-48.11
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=N[N-]N=N1	REAL250004604543	0	33	-1.0	-41.29	279.69	1.57	-39.72
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=NN=N[N-]1	REAL250004604543	1	33	-1.0	-41.37	279.60	1.59	-39.78
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004604544	0	20	-1.0	-38.30	226.14	4.88	-33.42
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004604544	1	20	-1.0	-38.22	226.23	4.85	-33.37
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604545	0	34	-1.0	-58.64	295.99	4.98	-53.66
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604545	1	34	-1.0	-58.57	296.09	4.95	-53.62
O=C(NC1=NN=N[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004604546	0	27	-1.0	-46.14	248.32	0.46	-45.68
O=C(NC1=N[N-]N=N1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004604546	1	27	-1.0	-46.08	248.42	0.44	-45.64
CC1CCC(OCCCC(=O)NC2=N[N-]N=N2)CC1	REAL250004604547	0	39	-1.0	-46.67	309.82	5.70	-40.97
CC1CCC(OCCCC(=O)NC2=NN=N[N-]2)CC1	REAL250004604547	1	39	-1.0	-46.70	309.73	5.72	-40.98
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604548	0	34	-1.0	-51.36	295.86	4.96	-46.40
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604548	1	34	-1.0	-51.29	295.96	4.96	-46.33
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=N[N-]N=N1	REAL250004604549	0	31	-1.0	-55.11	265.59	4.73	-50.38
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=NN=N[N-]1	REAL250004604549	1	31	-1.0	-55.18	265.49	4.74	-50.44
CC1(C)C(=O)NC2CCC(C(=O)NC3=N[N-]N=N3)CC21	REAL250004604550	0	37	-1.0	-46.08	289.78	2.24	-43.84
CC1(C)C(=O)NC2CCC(C(=O)NC3=NN=N[N-]3)CC21	REAL250004604550	1	37	-1.0	-46.16	289.69	2.27	-43.89
CN1C=NC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2C1=O	REAL250004604551	0	28	-1.0	-50.02	253.55	4.49	-45.53
CN1C=NC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2C1=O	REAL250004604551	1	28	-1.0	-49.99	253.65	4.48	-45.51
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=N[N-]N=N2)C1(C)C	REAL250004604552	0	40	-1.0	-44.44	319.44	3.75	-40.69
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=NN=N[N-]2)C1(C)C	REAL250004604552	1	40	-1.0	-44.54	319.35	3.76	-40.78
CN1N=CC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604553	0	30	-1.0	-46.38	262.63	4.79	-41.59
CN1N=CC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604553	1	30	-1.0	-46.29	262.73	4.78	-41.51
O=C(NC1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL250004604554	0	30	-1.0	-49.71	247.35	0.89	-48.82
O=C(NC1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL250004604554	1	30	-1.0	-49.78	247.26	0.90	-48.88
O=C(CCC1=C(F)C=CC=C1Cl)NC1=N[N-]N=N1	REAL250004604555	0	26	-1.0	-45.64	252.91	5.73	-39.91
O=C(CCC1=C(F)C=CC=C1Cl)NC1=NN=N[N-]1	REAL250004604555	1	26	-1.0	-45.74	252.81	5.74	-40.00
CN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL250004604556	0	27	-1.0	-53.98	258.80	6.01	-47.97
CN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL250004604556	1	27	-1.0	-53.92	258.91	6.00	-47.92
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=NN=N[N-]1	REAL250004604557	0	29	-1.0	-48.33	269.86	-0.49	-48.82
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=N[N-]N=N1	REAL250004604557	1	29	-1.0	-48.27	269.96	-0.50	-48.77
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL250004604558	0	28	-1.0	-44.61	259.95	3.06	-41.55
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL250004604558	1	28	-1.0	-44.67	259.85	3.08	-41.59
CCC1=CC=CC(CC)=C1CC(=O)NC1=N[N-]N=N1	REAL250004604559	0	35	-1.0	-44.38	280.58	6.75	-37.63
CCC1=CC=CC(CC)=C1CC(=O)NC1=NN=N[N-]1	REAL250004604559	1	35	-1.0	-44.44	280.49	6.76	-37.68
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=N[N-]N=N1	REAL250004604560	0	34	-1.0	-47.06	295.18	6.28	-40.78
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=NN=N[N-]1	REAL250004604560	1	34	-1.0	-47.10	295.09	6.30	-40.80
CC(C)N1C=C(C2CC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004604561	0	33	-1.0	-52.33	277.05	4.86	-47.47
CC(C)N1C=C(C2CC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004604561	1	33	-1.0	-52.22	277.14	4.85	-47.37
O=C(NC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL250004604562	0	27	-1.0	-48.27	251.68	4.37	-43.90
O=C(NC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL250004604562	1	27	-1.0	-48.21	251.78	4.37	-43.84
NC(=O)C1=CC(F)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604563	0	24	-1.0	-50.01	228.31	0.68	-49.33
NC(=O)C1=CC(F)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604563	1	24	-1.0	-49.93	228.41	0.66	-49.27
CN1N=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004604564	0	19	-1.0	-42.08	207.31	0.41	-41.67
CN1N=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004604564	1	19	-1.0	-42.01	207.41	0.41	-41.60
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004604565	0	28	-1.0	-44.22	258.45	6.63	-37.59
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004604565	1	28	-1.0	-44.14	258.55	6.62	-37.52
O=C(NC1=N[N-]N=N1)C1CCOC2(CCCCC2)C1	REAL250004604566	0	37	-1.0	-43.80	278.75	4.79	-39.01
O=C(NC1=NN=N[N-]1)C1CCOC2(CCCCC2)C1	REAL250004604566	1	37	-1.0	-43.86	278.66	4.80	-39.06
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=N[N-]N=N1	REAL250004604567	0	33	-1.0	-44.30	291.40	7.32	-36.98
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=NN=N[N-]1	REAL250004604567	1	33	-1.0	-44.38	291.30	7.33	-37.05
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004604568	0	32	-1.0	-46.15	269.87	7.14	-39.01
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004604568	1	32	-1.0	-46.07	269.96	7.13	-38.94
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(F)=C1F	REAL250004604569	0	24	-1.0	-39.72	229.38	3.26	-36.46
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(F)=C1F	REAL250004604569	1	24	-1.0	-39.70	229.47	3.24	-36.46
COC1=CC2=CC=CN=C2C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604570	0	29	-1.0	-54.54	255.89	3.91	-50.63
COC1=CC2=CC=CN=C2C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604570	1	29	-1.0	-54.50	255.99	3.91	-50.59
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL250004604571	0	22	-1.0	-39.22	235.79	3.64	-35.58
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL250004604571	1	22	-1.0	-39.12	235.89	3.63	-35.49
CCN1N=C(Br)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004604572	0	22	-1.0	-41.75	229.12	1.26	-40.49
CCN1N=C(Br)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004604572	1	22	-1.0	-41.67	229.21	1.25	-40.42
CC(C)(C)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=N1	REAL250004604573	0	31	-1.0	-45.88	274.28	5.07	-40.81
CC(C)(C)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=N1	REAL250004604573	1	31	-1.0	-45.86	274.38	5.06	-40.80
CN1C(=O)NC2(CCC(C(=O)NC3=N[N-]N=N3)CC2)C1=O	REAL250004604574	0	35	-1.0	-46.94	289.41	1.79	-45.15
CN1C(=O)NC2(CCC(C(=O)NC3=NN=N[N-]3)CC2)C1=O	REAL250004604574	1	35	-1.0	-47.05	289.32	1.82	-45.23
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=NNC=C2)=C1	REAL250004604575	0	27	-1.0	-54.82	246.30	3.85	-50.97
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=NNC=C2)=C1	REAL250004604575	1	27	-1.0	-54.78	246.40	3.84	-50.94
O=C(NC1=N[N-]N=N1)C1CCC2(CCOCC2)O1	REAL250004604576	0	32	-1.0	-48.68	260.42	2.92	-45.76
O=C(NC1=NN=N[N-]1)C1CCC2(CCOCC2)O1	REAL250004604576	1	32	-1.0	-48.75	260.32	2.93	-45.82
CC1=CC=CC=C1C1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL250004604577	0	29	-1.0	-42.23	266.25	5.46	-36.77
CC1=CC=CC=C1C1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL250004604577	1	29	-1.0	-42.20	266.35	5.45	-36.75
CC(F)(F)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004604578	0	25	-1.0	-42.50	238.76	3.84	-38.66
CC(F)(F)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004604578	1	25	-1.0	-42.44	238.86	3.85	-38.59
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004604579	0	26	-1.0	-42.92	241.75	5.44	-37.48
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004604579	1	26	-1.0	-43.00	241.65	5.46	-37.54
O=C(NC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004604580	0	32	-1.0	-47.40	284.58	6.47	-40.93
O=C(NC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004604580	1	32	-1.0	-47.35	284.68	6.45	-40.90
O=C(NC1=NN=N[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004604581	0	23	-1.0	-44.56	239.23	4.73	-39.83
O=C(NC1=N[N-]N=N1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004604581	1	23	-1.0	-44.42	239.33	4.72	-39.70
O=C(NC1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004604582	0	32	-1.0	-47.00	268.29	-0.55	-47.55
O=C(NC1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004604582	1	32	-1.0	-47.08	268.20	-0.52	-47.60
CCCN1C=C(Cl)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004604583	0	26	-1.0	-48.07	250.96	3.70	-44.37
CCCN1C=C(Cl)C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004604583	1	26	-1.0	-47.96	251.05	3.70	-44.26
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004604584	0	25	-1.0	-46.34	233.79	3.62	-42.72
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004604584	1	25	-1.0	-46.43	233.69	3.63	-42.80
COC(=O)C1=NNC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004604585	0	29	-1.0	-53.38	269.10	3.16	-50.22
COC(=O)C1=NNC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004604585	1	29	-1.0	-53.31	269.20	3.14	-50.17
CC(C)(C)C1CCNC2=C(C(=O)NC3=NN=N[N-]3)C=NN21	REAL250004604586	0	38	-1.0	-47.37	297.01	4.16	-43.21
CC(C)(C)C1CCNC2=C(C(=O)NC3=N[N-]N=N3)C=NN21	REAL250004604586	1	38	-1.0	-47.30	297.10	4.14	-43.16
CNC1=C(C(=O)NC2=NN=N[N-]2)SC2=NC=CN=C21	REAL250004604587	0	26	-1.0	-47.44	251.94	0.42	-47.02
CNC1=C(C(=O)NC2=N[N-]N=N2)SC2=NC=CN=C21	REAL250004604587	1	26	-1.0	-47.37	252.05	0.40	-46.97
CC1=NN=C2SC(C(=O)NC3=NN=N[N-]3)=C(N)C2=C1C	REAL250004604588	0	29	-1.0	-45.80	259.71	1.78	-44.02
CC1=NN=C2SC(C(=O)NC3=N[N-]N=N3)=C(N)C2=C1C	REAL250004604588	1	29	-1.0	-45.67	259.81	1.76	-43.91
CC1=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004604589	0	32	-1.0	-43.89	288.70	6.15	-37.74
CC1=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004604589	1	32	-1.0	-43.84	288.79	6.14	-37.70
NC(=O)C1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604590	0	24	-1.0	-54.74	226.43	0.71	-54.03
NC(=O)C1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604590	1	24	-1.0	-54.65	226.53	0.68	-53.97
O=C(NC1=N[N-]N=N1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004604591	0	30	-1.0	-43.74	267.84	6.58	-37.16
O=C(NC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004604591	1	30	-1.0	-43.79	267.74	6.60	-37.19
CC1=CC(C(F)(F)C(=O)NC2=N[N-]N=N2)=CS1	REAL250004604592	0	23	-1.0	-38.63	234.57	4.35	-34.28
CC1=CC(C(F)(F)C(=O)NC2=NN=N[N-]2)=CS1	REAL250004604592	1	23	-1.0	-38.67	234.48	4.36	-34.31
CC1=NN(CC(F)(F)F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604593	0	26	-1.0	-42.01	249.69	3.44	-38.57
CC1=NN(CC(F)(F)F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604593	1	26	-1.0	-42.06	249.60	3.44	-38.62
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004604594	0	39	-1.0	-45.49	332.76	3.60	-41.89
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004604594	1	39	-1.0	-45.59	332.67	3.61	-41.98
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004604595	0	22	-1.0	-37.09	229.71	3.50	-33.59
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004604595	1	22	-1.0	-37.05	229.81	3.48	-33.57
CC1=C(C)C(C(=O)NC2=NN=N[N-]2)=C(N2C=NN=N2)S1	REAL250004604596	0	28	-1.0	-59.44	269.66	4.29	-55.15
CC1=C(C)C(C(=O)NC2=N[N-]N=N2)=C(N2C=NN=N2)S1	REAL250004604596	1	28	-1.0	-59.32	269.76	4.28	-55.04
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004604597	0	40	-1.0	-43.53	298.81	6.74	-36.79
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004604597	1	40	-1.0	-43.56	298.72	6.74	-36.82
COC1=NC=C(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004604598	0	25	-1.0	-43.12	241.48	-0.28	-43.40
COC1=NC=C(C(=O)NC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004604598	1	25	-1.0	-43.05	241.57	-0.30	-43.35
O=C(NC1=NN=N[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL250004604599	0	25	-1.0	-44.28	256.53	3.21	-41.07
O=C(NC1=N[N-]N=N1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL250004604599	1	25	-1.0	-44.22	256.63	3.20	-41.02
O=C(NC1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)C=C1	REAL250004604600	0	36	-1.0	-45.66	296.34	2.88	-42.78
O=C(NC1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL250004604600	1	36	-1.0	-45.75	296.25	2.90	-42.85
CCNC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604601	0	35	-1.0	-49.82	284.30	2.59	-47.23
CCNC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604601	1	35	-1.0	-49.89	284.21	2.62	-47.27
COC1=CC([C@@H](C)CC(=O)NC2=N[N-]N=N2)=CC=C1C	REAL250004604602	0	36	-1.0	-44.23	296.56	5.75	-38.48
COC1=CC([C@@H](C)CC(=O)NC2=NN=N[N-]2)=CC=C1C	REAL250004604602	1	36	-1.0	-44.28	296.47	5.76	-38.52
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=N[N-]N=N1	REAL250004604603	0	32	-1.0	-45.96	275.77	5.06	-40.90
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=NN=N[N-]1	REAL250004604603	1	32	-1.0	-46.03	275.66	5.07	-40.96
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004604604	0	36	-1.0	-44.56	305.23	5.89	-38.67
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004604604	1	36	-1.0	-44.64	305.14	5.91	-38.73
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004604605	0	36	-1.0	-45.51	302.82	6.09	-39.42
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004604605	1	36	-1.0	-45.47	302.91	6.08	-39.39
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL250004604606	0	34	-1.0	-47.66	300.44	7.06	-40.60
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL250004604606	1	34	-1.0	-47.62	300.53	7.04	-40.58
CC(C)(C(=O)NC1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004604607	0	33	-1.0	-54.49	278.54	5.20	-49.29
CC(C)(C(=O)NC1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004604607	1	33	-1.0	-54.62	278.44	5.21	-49.41
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=NN=N[N-]1	REAL250004604608	0	26	-1.0	-41.90	247.18	3.85	-38.05
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=N[N-]N=N1	REAL250004604608	1	26	-1.0	-41.85	247.27	3.83	-38.02
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CCOCC1	REAL250004604609	0	31	-1.0	-42.87	260.50	4.15	-38.72
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CCOCC1	REAL250004604609	1	31	-1.0	-42.91	260.41	4.17	-38.74
CC1=CC=C(C(C(=O)NC2=N[N-]N=N2)C2CC2)C=C1	REAL250004604610	0	33	-1.0	-44.88	282.84	7.19	-37.69
CC1=CC=C(C(C(=O)NC2=NN=N[N-]2)C2CC2)C=C1	REAL250004604610	1	33	-1.0	-44.92	282.75	7.20	-37.72
O=C(NC1=NN=N[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL250004604611	0	22	-1.0	-52.51	228.16	3.11	-49.40
O=C(NC1=N[N-]N=N1)C1=NN2C=CC=NC2=C1Cl	REAL250004604611	1	22	-1.0	-52.42	228.26	3.10	-49.32
CCC1=C(C(=O)NC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004604612	0	29	-1.0	-47.23	260.74	5.38	-41.85
CCC1=C(C(=O)NC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004604612	1	29	-1.0	-47.15	260.84	5.38	-41.77
CC1=CC(F)=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604613	0	30	-1.0	-44.06	263.51	6.14	-37.92
CC1=CC(F)=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604613	1	30	-1.0	-44.11	263.41	6.16	-37.95
CC1=CC=C(F)C=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604614	0	30	-1.0	-42.80	263.52	6.14	-36.66
CC1=CC=C(F)C=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604614	1	30	-1.0	-42.89	263.43	6.16	-36.73
O=C(NC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004604615	0	29	-1.0	-47.51	266.35	6.19	-41.32
O=C(NC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004604615	1	29	-1.0	-47.64	266.26	6.20	-41.44
COC1=C(C(=O)NC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004604616	0	29	-1.0	-50.91	260.53	3.29	-47.62
COC1=C(C(=O)NC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004604616	1	29	-1.0	-50.85	260.63	3.28	-47.57
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=N[N-]N=N3)C[C@H]12	REAL250004604617	0	38	-1.0	-46.94	316.36	3.27	-43.67
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=NN=N[N-]3)C[C@H]12	REAL250004604617	1	38	-1.0	-47.06	316.27	3.28	-43.78
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=N[N-]N=N1)C(C)C	REAL250004604618	0	32	-1.0	-55.06	268.72	4.70	-50.36
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=NN=N[N-]1)C(C)C	REAL250004604618	1	32	-1.0	-55.12	268.62	4.71	-50.41
COCCN1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004604619	0	30	-1.0	-58.06	264.28	2.91	-55.15
COCCN1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004604619	1	30	-1.0	-57.97	264.38	2.91	-55.06
O=C(NC1=NN=N[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL250004604620	0	28	-1.0	-53.87	242.30	3.41	-50.46
O=C(NC1=N[N-]N=N1)C1=C2NC(=O)CCC2=CC=C1	REAL250004604620	1	28	-1.0	-53.76	242.39	3.40	-50.36
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL250004604621	0	23	-1.0	-51.54	247.43	3.46	-48.08
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1Cl	REAL250004604621	1	23	-1.0	-51.44	247.53	3.45	-47.99
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004604623	0	26	-1.0	-38.48	242.09	5.02	-33.46
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004604623	1	26	-1.0	-38.56	242.00	5.04	-33.52
O=C(NC1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250004604624	0	30	-1.0	-59.81	253.63	4.77	-55.04
O=C(NC1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL250004604624	1	30	-1.0	-59.70	253.73	4.76	-54.94
O=C(NC1=NN=N[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL250004604625	0	25	-1.0	-55.26	251.11	4.31	-50.95
O=C(NC1=N[N-]N=N1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL250004604625	1	25	-1.0	-55.23	251.20	4.30	-50.93
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004604626	0	23	-1.0	-40.21	232.74	4.62	-35.59
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL250004604626	1	23	-1.0	-40.26	232.65	4.65	-35.61
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004604627	0	23	-1.0	-44.37	232.63	4.62	-39.75
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL250004604627	1	23	-1.0	-44.43	232.54	4.64	-39.79
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL250004604628	0	29	-1.0	-40.50	253.02	5.52	-34.98
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL250004604628	1	29	-1.0	-40.56	252.92	5.54	-35.02
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=NN=N[N-]1	REAL250004604629	0	31	-1.0	-54.42	275.63	4.78	-49.64
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=N[N-]N=N1	REAL250004604629	1	31	-1.0	-54.41	275.72	4.77	-49.64
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=NN=N[N-]1	REAL250004604630	0	31	-1.0	-50.34	262.21	3.33	-47.01
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=N[N-]N=N1	REAL250004604630	1	31	-1.0	-50.25	262.31	3.32	-46.93
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004604631	0	22	-1.0	-43.24	238.15	3.76	-39.48
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004604631	1	22	-1.0	-43.13	238.25	3.74	-39.39
COC1=C2NC=C(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004604632	0	31	-1.0	-50.06	273.49	3.82	-46.24
COC1=C2NC=C(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004604632	1	31	-1.0	-49.99	273.58	3.80	-46.19
O=C(NC1=NN=N[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL250004604633	0	24	-1.0	-40.83	244.10	4.30	-36.53
O=C(NC1=N[N-]N=N1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL250004604633	1	24	-1.0	-40.81	244.20	4.29	-36.52
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004604634	0	32	-1.0	-47.54	283.66	5.60	-41.94
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004604634	1	32	-1.0	-47.64	283.56	5.62	-42.02
O=C(NC1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL250004604635	0	27	-1.0	-44.83	249.16	2.50	-42.33
O=C(NC1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL250004604635	1	27	-1.0	-44.91	249.06	2.50	-42.41
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004604636	0	29	-1.0	-62.65	265.55	0.41	-62.24
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004604636	1	29	-1.0	-62.72	265.46	0.41	-62.31
COC(=O)C1=CSC(CC(=O)NC2=N[N-]N=N2)=C1	REAL250004604637	0	26	-1.0	-48.32	258.58	4.26	-44.06
COC(=O)C1=CSC(CC(=O)NC2=NN=N[N-]2)=C1	REAL250004604637	1	26	-1.0	-48.37	258.48	4.28	-44.09
COC(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1F	REAL250004604638	0	29	-1.0	-49.87	271.51	5.17	-44.70
COC(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1F	REAL250004604638	1	29	-1.0	-49.96	271.42	5.18	-44.78
C[C@H]1C(=O)N(CC(=O)NC2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004604639	0	29	-1.0	-50.92	253.45	2.55	-48.37
C[C@H]1C(=O)N(CC(=O)NC2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004604639	1	29	-1.0	-50.99	253.36	2.57	-48.42
O=C(NC1=N[N-]N=N1)C1CCC2(CNC(=O)C2)CC1	REAL250004604640	0	34	-1.0	-52.65	269.44	1.90	-50.75
O=C(NC1=NN=N[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250004604640	1	34	-1.0	-52.69	269.35	1.92	-50.77
O=C(NC1=N[N-]N=N1)C1CC(C2CCOCC2)=NO1	REAL250004604641	0	32	-1.0	-50.16	271.19	3.01	-47.15
O=C(NC1=NN=N[N-]1)C1CC(C2CCOCC2)=NO1	REAL250004604641	1	32	-1.0	-50.22	271.09	3.03	-47.19
O=C(NC1=N[N-]N=N1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004604642	0	31	-1.0	-51.70	278.11	5.94	-45.76
O=C(NC1=NN=N[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL250004604642	1	31	-1.0	-51.76	278.01	5.95	-45.81
O=C(NC1=NN=N[N-]1)C1=C2CCCCC2=NNC1=O	REAL250004604643	0	29	-1.0	-48.26	242.27	2.05	-46.21
O=C(NC1=N[N-]N=N1)C1=C2CCCCC2=NNC1=O	REAL250004604643	1	29	-1.0	-48.20	242.37	2.05	-46.15
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)S1	REAL250004604644	0	30	-1.0	-43.76	270.69	2.52	-41.24
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)S1	REAL250004604644	1	30	-1.0	-43.86	270.59	2.53	-41.33
O=C(NC1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL250004604645	0	25	-1.0	-40.38	236.82	2.37	-38.01
O=C(NC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250004604645	1	25	-1.0	-40.41	236.72	2.39	-38.02
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004604646	0	28	-1.0	-40.16	249.91	5.90	-34.26
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004604646	1	28	-1.0	-40.06	250.02	5.88	-34.18
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004604647	0	26	-1.0	-48.70	251.07	3.29	-45.41
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004604647	1	26	-1.0	-48.72	250.97	3.30	-45.42
CN1C=C(C(=O)NC2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL250004604648	0	27	-1.0	-49.09	253.23	5.81	-43.28
CN1C=C(C(=O)NC2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL250004604648	1	27	-1.0	-49.03	253.33	5.80	-43.23
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=NN=N[N-]1	REAL250004604649	0	29	-1.0	-42.29	264.71	5.52	-36.77
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=N[N-]N=N1	REAL250004604649	1	29	-1.0	-42.20	264.80	5.51	-36.69
O=C(NC1=NN=N[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004604650	0	25	-1.0	-41.23	240.20	2.47	-38.76
O=C(NC1=N[N-]N=N1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004604650	1	25	-1.0	-41.18	240.30	2.47	-38.71
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250004604651	0	25	-1.0	-44.56	230.41	4.34	-40.22
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC2=CN=CC=C21	REAL250004604651	1	25	-1.0	-44.53	230.51	4.34	-40.19
CN1N=NC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604652	0	29	-1.0	-48.19	256.90	3.58	-44.61
CN1N=NC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604652	1	29	-1.0	-48.11	257.00	3.57	-44.54
CC(=O)NC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004604653	0	30	-1.0	-55.67	260.15	4.36	-51.31
CC(=O)NC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004604653	1	30	-1.0	-55.61	260.25	4.34	-51.27
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=N[N-]N=N2)C1	REAL250004604654	0	38	-1.0	-54.03	305.20	5.10	-48.93
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=NN=N[N-]2)C1	REAL250004604654	1	38	-1.0	-54.11	305.11	5.12	-48.99
CC1=C(F)C=CC=C1C1(C(=O)NC2=N[N-]N=N2)CC1	REAL250004604655	0	30	-1.0	-45.97	261.82	6.11	-39.86
CC1=C(F)C=CC=C1C1(C(=O)NC2=NN=N[N-]2)CC1	REAL250004604655	1	30	-1.0	-46.00	261.72	6.13	-39.87
O=C(NC1=N[N-]N=N1)C1(C2=CC=CS2)CCCC1	REAL250004604656	0	30	-1.0	-43.42	255.62	5.97	-37.45
O=C(NC1=NN=N[N-]1)C1(C2=CC=CS2)CCCC1	REAL250004604656	1	30	-1.0	-43.47	255.53	5.99	-37.48
O=C(NC1=N[N-]N=N1)C(C1=CC=CS1)C1CCCCC1	REAL250004604657	0	36	-1.0	-44.59	299.55	7.32	-37.27
O=C(NC1=NN=N[N-]1)C(C1=CC=CS1)C1CCCCC1	REAL250004604657	1	36	-1.0	-44.66	299.46	7.33	-37.33
NC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL250004604658	0	29	-1.0	-43.74	263.97	4.14	-39.60
NC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL250004604658	1	29	-1.0	-43.67	264.07	4.13	-39.54
CCOC(=O)C12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL250004604659	0	39	-1.0	-44.60	308.45	6.30	-38.30
CCOC(=O)C12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL250004604659	1	39	-1.0	-44.70	308.36	6.31	-38.39
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004604660	0	27	-1.0	-47.55	247.80	5.93	-41.62
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004604660	1	27	-1.0	-47.51	247.90	5.93	-41.58
O=C(CCC1=CC=C2OC=NC2=C1)NC1=N[N-]N=N1	REAL250004604661	0	28	-1.0	-48.43	255.27	2.19	-46.24
O=C(CCC1=CC=C2OC=NC2=C1)NC1=NN=N[N-]1	REAL250004604661	1	28	-1.0	-48.48	255.18	2.20	-46.28
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCSC2)N=C1Cl	REAL250004604662	0	27	-1.0	-44.23	258.74	4.68	-39.55
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL250004604662	1	27	-1.0	-44.31	258.65	4.68	-39.63
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC2=C1NCCC2	REAL250004604663	0	29	-1.0	-43.82	258.66	4.77	-39.05
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC2=C1NCCC2	REAL250004604663	1	29	-1.0	-43.76	258.76	4.77	-38.99
NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=NN=N[N-]1	REAL250004604664	0	27	-1.0	-42.30	250.14	2.00	-40.30
NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=N[N-]N=N1	REAL250004604664	1	27	-1.0	-42.27	250.24	2.00	-40.27
CN1N=C(C(F)(F)F)C=C1CC(=O)NC1=N[N-]N=N1	REAL250004604665	0	26	-1.0	-47.76	254.51	2.98	-44.78
CN1N=C(C(F)(F)F)C=C1CC(=O)NC1=NN=N[N-]1	REAL250004604665	1	26	-1.0	-47.85	254.42	3.00	-44.85
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL250004604666	0	27	-1.0	-44.94	257.91	3.77	-41.17
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL250004604666	1	27	-1.0	-44.84	258.01	3.76	-41.08
CCC1=CN2CCC(C(=O)NC3=N[N-]N=N3)CC2=N1	REAL250004604667	0	33	-1.0	-45.86	275.70	5.28	-40.58
CCC1=CN2CCC(C(=O)NC3=NN=N[N-]3)CC2=N1	REAL250004604667	1	33	-1.0	-45.91	275.61	5.29	-40.62
O=C(CC1CCCC2CCCCC12)NC1=N[N-]N=N1	REAL250004604668	0	39	-1.0	-43.76	289.91	6.92	-36.84
O=C(CC1CCCC2CCCCC12)NC1=NN=N[N-]1	REAL250004604668	1	39	-1.0	-43.80	289.82	6.93	-36.87
COC1=C2C(C(=O)NC3=NN=N[N-]3)=CSC2=CC=C1	REAL250004604669	0	27	-1.0	-49.30	247.44	5.80	-43.50
COC1=C2C(C(=O)NC3=N[N-]N=N3)=CSC2=CC=C1	REAL250004604669	1	27	-1.0	-49.19	247.54	5.79	-43.40
CCOC1=CC=C(Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL250004604670	0	26	-1.0	-49.86	250.85	3.94	-45.92
CCOC1=CC=C(Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL250004604670	1	26	-1.0	-49.79	250.94	3.93	-45.86
O=C(NC1=NN=N[N-]1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL250004604671	0	26	-1.0	-42.61	246.86	3.76	-38.85
O=C(NC1=N[N-]N=N1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL250004604671	1	26	-1.0	-42.55	246.95	3.75	-38.80
CC1CC(C(=O)NC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL250004604672	0	40	-1.0	-52.01	318.92	4.58	-47.43
CC1CC(C(=O)NC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL250004604672	1	40	-1.0	-52.09	318.83	4.61	-47.48
O=C(NC1=NN=N[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL250004604673	0	27	-1.0	-52.61	255.07	3.63	-48.98
O=C(NC1=N[N-]N=N1)C1=COC(CN2C=CC=N2)=C1	REAL250004604673	1	27	-1.0	-52.53	255.17	3.62	-48.91
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=NN=N[N-]1	REAL250004604674	0	24	-1.0	-50.68	242.78	3.56	-47.12
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=N[N-]N=N1	REAL250004604674	1	24	-1.0	-50.64	242.88	3.53	-47.11
N#CC1=CNC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C12	REAL250004604675	0	25	-1.0	-57.37	239.96	4.32	-53.05
N#CC1=CNC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C12	REAL250004604675	1	25	-1.0	-57.29	240.06	4.30	-52.99
O=C(NC1=NN=N[N-]1)C1=CNC(C2=CC=CC=C2)=C1	REAL250004604676	0	28	-1.0	-50.56	252.18	5.22	-45.34
O=C(NC1=N[N-]N=N1)C1=CNC(C2=CC=CC=C2)=C1	REAL250004604676	1	28	-1.0	-50.49	252.29	5.21	-45.28
O=C(NC1=N[N-]N=N1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004604677	0	29	-1.0	-47.31	240.86	-0.80	-48.11
O=C(NC1=NN=N[N-]1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004604677	1	29	-1.0	-47.39	240.77	-0.79	-48.18
CC1=CC(C(=O)NC2=NN=N[N-]2)=C(S(N)(=O)=O)S1	REAL250004604678	0	25	-1.0	-57.90	248.10	-0.23	-58.13
CC1=CC(C(=O)NC2=N[N-]N=N2)=C(S(N)(=O)=O)S1	REAL250004604678	1	25	-1.0	-57.84	248.20	-0.23	-58.07
CC(C)(C)C1CCC(C(O)C(=O)NC2=N[N-]N=N2)CC1	REAL250004604679	0	42	-1.0	-42.20	308.14	3.85	-38.35
CC(C)(C)C1CCC(C(O)C(=O)NC2=NN=N[N-]2)CC1	REAL250004604679	1	42	-1.0	-42.22	308.05	3.86	-38.36
NC1=C(C(=O)NC2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL250004604680	0	29	-1.0	-48.37	265.74	4.15	-44.22
NC1=C(C(=O)NC2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL250004604680	1	29	-1.0	-48.27	265.85	4.14	-44.13
CN(C)C1=NC2=C(C(=O)NC3=NN=N[N-]3)C=CC=C2O1	REAL250004604681	0	30	-1.0	-56.98	266.48	2.61	-54.37
CN(C)C1=NC2=C(C(=O)NC3=N[N-]N=N3)C=CC=C2O1	REAL250004604681	1	30	-1.0	-56.88	266.58	2.60	-54.28
O=C(NC1=N[N-]N=N1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL250004604682	0	33	-1.0	-44.59	289.35	5.41	-39.18
O=C(NC1=NN=N[N-]1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL250004604682	1	33	-1.0	-44.68	289.25	5.41	-39.27
CS(C)(=O)=NC1=CC=C(C(=O)NC2=N[N-]N=N2)S1	REAL250004604683	0	27	-1.0	-64.64	262.86	1.23	-63.41
CS(C)(=O)=NC1=CC=C(C(=O)NC2=NN=N[N-]2)S1	REAL250004604683	1	27	-1.0	-64.66	262.76	1.23	-63.43
O=C(NC1=NN=N[N-]1)C1=CSN=C1C1=CC=CC=C1	REAL250004604686	0	26	-1.0	-43.80	247.49	5.02	-38.78
O=C(NC1=N[N-]N=N1)C1=CSN=C1C1=CC=CC=C1	REAL250004604686	1	26	-1.0	-43.74	247.59	5.00	-38.74
O=C(NC1=NN=N[N-]1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL250004604687	0	20	-1.0	-38.65	222.41	3.94	-34.71
O=C(NC1=N[N-]N=N1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL250004604687	1	20	-1.0	-38.60	222.51	3.93	-34.67
CC(C)(C)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604688	0	41	-1.0	-45.85	325.52	0.83	-45.02
CC(C)(C)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604688	1	41	-1.0	-45.83	325.58	0.84	-44.99
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC2=CC=NN21	REAL250004604689	0	31	-1.0	-57.46	277.09	3.21	-54.25
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC2=CC=NN21	REAL250004604689	1	31	-1.0	-57.45	277.03	3.20	-54.25
O=C(NC1=CSC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604690	0	29	-1.0	-52.74	267.83	5.17	-47.57
O=C(NC1=CSC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604690	1	29	-1.0	-52.51	267.92	5.18	-47.33
O=C(NC1=CSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604691	0	26	-1.0	-35.18	253.60	2.08	-33.10
O=C(NC1=CSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604691	1	26	-1.0	-35.25	253.54	2.06	-33.19
NC(=O)NCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004604692	0	37	-1.0	-53.35	315.90	-2.44	-55.79
NC(=O)NCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004604692	1	37	-1.0	-53.37	315.96	-2.42	-55.79
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C1)C2O	REAL250004604693	0	40	-1.0	-48.52	297.99	2.44	-46.08
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C1)C2O	REAL250004604693	1	40	-1.0	-48.55	298.05	2.45	-46.10
O=C(CCCC1=N[N-]N=N1)NCCN1C=NN=C1C1CC1	REAL250004604694	0	38	-1.0	-56.64	328.46	5.09	-51.55
O=C(CCCC1=NN=N[N-]1)NCCN1C=NN=C1C1CC1	REAL250004604694	1	38	-1.0	-56.64	328.52	5.10	-51.54
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=C(O)C=C1	REAL250004604695	0	39	-1.0	-48.77	333.10	2.18	-46.59
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=C(O)C=C1	REAL250004604695	1	39	-1.0	-48.78	333.16	2.19	-46.59
CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004604696	0	38	-1.0	-45.93	288.85	4.69	-41.24
CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004604696	1	38	-1.0	-45.89	288.91	4.70	-41.19
CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004604697	0	38	-1.0	-35.46	297.46	4.93	-30.53
CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004604697	1	38	-1.0	-35.45	297.53	4.93	-30.52
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCOCC1	REAL250004604698	0	43	-1.0	-47.68	349.30	1.54	-46.14
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCOCC1	REAL250004604698	1	43	-1.0	-47.67	349.35	1.55	-46.12
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CC=C1	REAL250004604699	0	37	-1.0	-47.66	314.21	2.40	-45.26
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CC=C1	REAL250004604699	1	37	-1.0	-47.65	314.26	2.41	-45.24
CC(O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604700	0	35	-1.0	-56.21	297.23	1.59	-54.62
CC(O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604700	1	35	-1.0	-56.02	297.29	1.62	-54.40
CC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604701	0	32	-1.0	-36.96	283.07	-1.49	-38.45
CC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604701	1	32	-1.0	-36.90	283.14	-1.48	-38.38
O=C(CCCC1=N[N-]N=N1)NCCCNC1=CC=CC=N1	REAL250004604703	0	39	-1.0	-49.59	330.49	2.28	-47.31
O=C(CCCC1=NN=N[N-]1)NCCCNC1=CC=CC=N1	REAL250004604703	1	39	-1.0	-49.61	330.55	2.29	-47.32
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CNN=C2)CC1	REAL250004604704	0	39	-1.0	-51.39	316.80	3.64	-47.75
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CNN=C2)CC1	REAL250004604704	1	39	-1.0	-51.38	316.85	3.66	-47.72
O=C(CCCC1=N[N-]N=N1)NC1=C2N=CNC2=CC=C1	REAL250004604705	0	32	-1.0	-51.65	278.21	3.02	-48.63
O=C(CCCC1=NN=N[N-]1)NC1=C2N=CNC2=CC=C1	REAL250004604705	1	32	-1.0	-51.64	278.26	3.03	-48.61
CC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604707	0	41	-1.0	-47.11	315.40	4.05	-43.06
CC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604707	1	41	-1.0	-47.10	315.45	4.06	-43.04
CC(CNC(=O)CCCC1=N[N-]N=N1)CC1(C)OCCO1	REAL250004604708	0	43	-1.0	-47.92	340.58	2.48	-45.44
CC(CNC(=O)CCCC1=NN=N[N-]1)CC1(C)OCCO1	REAL250004604708	1	43	-1.0	-47.92	340.63	2.49	-45.43
O=C(CCCC1=N[N-]N=N1)N1CCC(CC2=CC=CC=C2)C1	REAL250004604711	0	42	-1.0	-47.65	343.60	7.16	-40.49
O=C(CCCC1=NN=N[N-]1)N1CCC(CC2=CC=CC=C2)C1	REAL250004604711	1	42	-1.0	-47.66	343.66	7.18	-40.48
CCCC(O)(CCC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604712	0	44	-1.0	-47.14	344.61	1.86	-45.28
CCCC(O)(CCC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604712	1	44	-1.0	-47.09	344.66	1.88	-45.21
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C	REAL250004604713	0	38	-1.0	-55.52	297.60	6.33	-49.19
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1C	REAL250004604713	1	38	-1.0	-54.78	298.24	6.36	-48.42
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL250004604714	0	35	-1.0	-35.97	285.88	4.17	-31.80
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL250004604714	1	35	-1.0	-35.91	285.94	4.17	-31.74
CCSCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004604715	0	41	-1.0	-46.51	340.10	6.28	-40.23
CCSCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004604715	1	41	-1.0	-46.53	340.16	6.30	-40.23
CC1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604716	0	38	-1.0	-45.48	292.16	4.83	-40.65
CC1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604716	1	38	-1.0	-45.48	292.22	4.85	-40.63
CC1CCC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004604717	0	38	-1.0	-34.94	300.29	5.00	-29.94
CC1CCC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004604717	1	38	-1.0	-34.91	300.36	5.00	-29.91
CCC(C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004604718	0	40	-1.0	-46.79	317.36	4.18	-42.61
CCC(C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004604718	1	40	-1.0	-46.75	317.42	4.20	-42.55
CCC(C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604719	0	40	-1.0	-35.49	327.95	4.02	-31.47
CCC(C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604719	1	40	-1.0	-35.53	328.02	4.03	-31.50
COC(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604720	0	38	-1.0	-52.49	308.71	3.69	-48.80
COC(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604720	1	38	-1.0	-52.29	308.78	3.71	-48.58
COC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604721	0	35	-1.0	-36.24	294.55	0.61	-35.63
COC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604721	1	35	-1.0	-36.25	294.62	0.62	-35.63
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004604722	0	41	-1.0	-46.64	324.36	2.15	-44.49
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004604722	1	41	-1.0	-46.63	324.42	2.16	-44.47
CCC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604723	0	41	-1.0	-46.94	307.69	5.43	-41.51
CCC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604723	1	41	-1.0	-46.93	307.75	5.45	-41.48
COCCOCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004604724	0	39	-1.0	-47.89	327.20	0.70	-47.19
COCCOCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004604724	1	39	-1.0	-47.88	327.26	0.72	-47.16
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCC2)C1	REAL250004604725	0	39	-1.0	-47.60	304.01	5.07	-42.53
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCC2)C1	REAL250004604725	1	39	-1.0	-47.61	304.07	5.08	-42.53
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCCC2)C1	REAL250004604726	0	39	-1.0	-36.17	312.66	5.30	-30.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCCC2)C1	REAL250004604726	1	39	-1.0	-36.14	312.73	5.30	-30.84
COC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004604727	0	42	-1.0	-49.47	327.63	2.57	-46.90
COC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004604727	1	42	-1.0	-49.48	327.68	2.58	-46.90
CC1(C)C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC21	REAL250004604728	0	39	-1.0	-52.92	309.01	7.02	-45.90
CC1(C)C2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC21	REAL250004604728	1	39	-1.0	-52.74	309.06	7.03	-45.71
CC1(C)C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC21	REAL250004604729	0	36	-1.0	-35.45	294.18	4.81	-30.64
CC1(C)C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC21	REAL250004604729	1	36	-1.0	-35.37	294.25	4.82	-30.55
CCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004604730	0	35	-1.0	-52.82	298.32	2.73	-50.09
CCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004604730	1	35	-1.0	-52.82	298.26	2.71	-50.11
CCCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004604731	0	35	-1.0	-39.12	308.89	2.53	-36.59
CCCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004604731	1	35	-1.0	-39.19	308.83	2.53	-36.66
CC1=CC=CC(F)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004604732	0	35	-1.0	-48.09	301.40	4.01	-44.08
CC1=CC=CC(F)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004604732	1	35	-1.0	-48.09	301.46	4.03	-44.06
CC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604733	0	32	-1.0	-45.87	276.11	4.24	-41.63
CC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604733	1	32	-1.0	-45.86	276.17	4.26	-41.60
CC1=C(F)C=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604734	0	32	-1.0	-34.68	286.78	4.05	-30.63
CC1=C(F)C=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604734	1	32	-1.0	-34.68	286.71	4.04	-30.64
CC(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004604735	0	38	-1.0	-48.29	295.37	5.29	-43.00
CC(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004604735	1	38	-1.0	-48.30	295.42	5.29	-43.01
CC(C)C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604736	0	38	-1.0	-37.07	303.54	5.46	-31.61
CC(C)C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604736	1	38	-1.0	-37.09	303.61	5.46	-31.63
COC1(C)CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004604737	0	45	-1.0	-50.96	340.62	4.60	-46.36
COC1(C)CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004604737	1	45	-1.0	-50.99	340.68	4.62	-46.37
CC1=NOC(C)=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004604739	0	34	-1.0	-50.22	294.73	3.84	-46.38
CC1=NOC(C)=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004604739	1	34	-1.0	-50.27	294.78	3.86	-46.41
CC1=NOC(C)=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604740	0	34	-1.0	-38.08	301.82	4.09	-33.99
CC1=NOC(C)=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604740	1	34	-1.0	-38.04	301.90	4.11	-33.93
CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004604741	0	31	-1.0	-47.81	276.49	-0.97	-48.78
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004604741	1	31	-1.0	-47.84	276.55	-0.96	-48.80
CC1=CN=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL250004604742	0	34	-1.0	-52.40	300.87	1.92	-50.48
CC1=CN=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL250004604742	1	34	-1.0	-52.17	300.97	1.95	-50.22
CC1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004604743	0	31	-1.0	-38.03	287.09	-1.19	-39.22
CC1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004604743	1	31	-1.0	-38.03	287.15	-1.18	-39.21
CC(C)(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604744	0	35	-1.0	-51.55	293.80	1.60	-49.95
CC(C)(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604744	1	35	-1.0	-51.29	293.87	1.61	-49.68
CC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604745	0	32	-1.0	-36.29	279.90	-1.46	-37.75
CC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604745	1	32	-1.0	-36.25	279.96	-1.45	-37.70
COCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604746	0	36	-1.0	-46.74	301.54	-1.69	-48.43
COCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604746	1	36	-1.0	-46.74	301.60	-1.68	-48.42
COCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604747	0	36	-1.0	-37.68	312.13	-1.90	-39.58
COCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604747	1	36	-1.0	-37.68	312.20	-1.89	-39.57
COCCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604748	0	39	-1.0	-47.19	319.78	-1.51	-48.70
COCCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604748	1	39	-1.0	-47.15	319.84	-1.50	-48.65
CCCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604749	0	38	-1.0	-45.69	307.61	0.19	-45.50
CCCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604749	1	38	-1.0	-45.68	307.67	0.21	-45.47
CCCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604750	0	38	-1.0	-36.04	318.20	-0.01	-36.05
CCCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604750	1	38	-1.0	-35.92	318.27	0.00	-35.92
CC(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604751	0	38	-1.0	-45.75	299.22	-0.21	-45.96
CC(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604751	1	38	-1.0	-45.79	299.27	-0.19	-45.98
CC(C)C(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604752	0	38	-1.0	-35.82	310.83	-0.12	-35.94
CC(C)C(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604752	1	38	-1.0	-35.81	310.89	-0.11	-35.92
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004604753	0	36	-1.0	-45.74	295.21	0.44	-45.30
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004604753	1	36	-1.0	-45.80	295.26	0.45	-45.35
CC(O)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004604754	0	36	-1.0	-35.79	305.79	0.24	-35.55
CC(O)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004604754	1	36	-1.0	-35.87	305.86	0.24	-35.63
N#CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004604755	0	33	-1.0	-49.52	305.61	3.88	-45.64
N#CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004604755	1	33	-1.0	-49.55	305.66	3.90	-45.65
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004604756	0	36	-1.0	-47.02	316.20	0.77	-46.25
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004604756	1	36	-1.0	-47.03	316.26	0.78	-46.25
CC(C)CCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604758	0	44	-1.0	-45.56	346.68	1.49	-44.07
CC(C)CCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604758	1	44	-1.0	-45.55	346.73	1.50	-44.05
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL250004604759	0	36	-1.0	-46.27	314.97	0.62	-45.65
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL250004604759	1	36	-1.0	-46.27	315.03	0.64	-45.63
CCC(O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004604760	0	38	-1.0	-47.18	314.74	0.32	-46.86
CCC(O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004604760	1	38	-1.0	-47.18	314.80	0.34	-46.84
CCC(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604761	0	38	-1.0	-36.49	325.34	0.12	-36.37
CCC(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604761	1	38	-1.0	-36.49	325.40	0.13	-36.36
CC(O)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604762	0	41	-1.0	-48.15	320.65	1.06	-47.09
CC(O)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604762	1	41	-1.0	-48.10	320.71	1.07	-47.03
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004604763	0	36	-1.0	-48.56	308.46	-0.13	-48.69
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004604763	1	36	-1.0	-48.59	308.52	-0.11	-48.70
O=C(NCC(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604764	0	28	-1.0	-51.22	256.68	3.68	-47.54
O=C(NCC(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604764	1	28	-1.0	-51.08	256.75	3.70	-47.38
O=C(NCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604765	0	25	-1.0	-37.58	242.53	0.58	-37.00
O=C(NCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604765	1	25	-1.0	-37.54	242.59	0.59	-36.95
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004604766	0	40	-1.0	-45.52	321.70	2.28	-43.24
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004604766	1	40	-1.0	-45.54	321.76	2.29	-43.25
CCSC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604767	0	42	-1.0	-48.64	342.05	6.34	-42.30
CCSC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604767	1	42	-1.0	-48.61	342.11	6.36	-42.25
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004604768	0	38	-1.0	-46.73	307.71	1.76	-44.97
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004604768	1	38	-1.0	-46.72	307.76	1.78	-44.94
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004604769	0	38	-1.0	-35.60	318.26	1.52	-34.08
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004604769	1	38	-1.0	-35.59	318.33	1.52	-34.07
O=C(CCCC1=N[N-]N=N1)NCCC(F)(F)F	REAL250004604770	0	28	-1.0	-48.86	258.80	1.60	-47.26
O=C(CCCC1=NN=N[N-]1)NCCC(F)(F)F	REAL250004604770	1	28	-1.0	-48.89	258.86	1.62	-47.27
O=C(NCCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604771	0	28	-1.0	-36.13	269.40	1.40	-34.73
O=C(NCCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604771	1	28	-1.0	-36.15	269.46	1.41	-34.74
CC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1C	REAL250004604772	0	38	-1.0	-52.43	321.19	4.46	-47.97
CC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1C	REAL250004604772	1	38	-1.0	-52.42	321.24	4.48	-47.94
CC1=NC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604773	0	34	-1.0	-53.01	291.29	5.35	-47.66
CC1=NC=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604773	1	34	-1.0	-52.83	291.38	5.38	-47.45
CC1=NC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604774	0	31	-1.0	-35.86	276.52	2.21	-33.65
CC1=NC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604774	1	31	-1.0	-35.86	276.59	2.22	-33.64
CCSCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004604775	0	38	-1.0	-46.29	326.63	4.35	-41.94
CCSCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004604775	1	38	-1.0	-46.32	326.68	4.36	-41.96
CSC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004604776	0	36	-1.0	-45.59	302.61	3.84	-41.75
CSC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004604776	1	36	-1.0	-45.62	302.67	3.86	-41.76
C#CCN(CC#CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604777	0	35	-1.0	-51.90	312.97	7.97	-43.93
C#CCN(CC#CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604777	1	35	-1.0	-51.68	313.06	7.99	-43.69
C#CCN(CC#CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604778	0	32	-1.0	-37.52	298.18	6.12	-31.40
C#CCN(CC#CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604778	1	32	-1.0	-37.54	298.25	6.12	-31.42
CC1=C(C)SC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004604779	0	34	-1.0	-47.48	304.56	1.92	-45.56
CC1=C(C)SC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004604779	1	34	-1.0	-47.50	304.62	1.93	-45.57
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCOCC2	REAL250004604780	0	40	-1.0	-48.92	311.22	3.30	-45.62
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCOCC2	REAL250004604780	1	40	-1.0	-48.91	311.27	3.31	-45.60
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2CC2)CC1	REAL250004604781	0	43	-1.0	-47.99	342.78	5.16	-42.83
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2CC2)CC1	REAL250004604781	1	43	-1.0	-48.00	342.84	5.18	-42.82
CN1C=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604782	0	36	-1.0	-51.63	308.54	5.78	-45.85
CN1C=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604782	1	36	-1.0	-51.44	308.64	5.81	-45.63
CN1C=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604783	0	33	-1.0	-36.38	294.76	2.69	-33.69
CN1C=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604783	1	33	-1.0	-36.36	294.83	2.68	-33.68
CCOCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004604784	0	39	-1.0	-49.02	329.92	4.06	-44.96
CCOCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004604784	1	39	-1.0	-49.03	329.97	4.07	-44.96
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC(F)=C1	REAL250004604785	0	36	-1.0	-52.51	310.42	5.95	-46.56
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC(F)=C1	REAL250004604785	1	36	-1.0	-52.50	310.47	5.96	-46.54
O=C(CCCC1=NN=N[N-]1)N1CC(=O)NC2=CN=CC=C21	REAL250004604786	0	33	-1.0	-48.16	283.62	1.05	-47.11
O=C(CCCC1=N[N-]N=N1)N1CC(=O)NC2=CN=CC=C21	REAL250004604786	1	33	-1.0	-48.18	283.56	1.04	-47.14
O=C(NCC1=CC=CN1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604787	0	33	-1.0	-51.71	288.15	4.17	-47.54
O=C(NCC1=CC=CN1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604787	1	33	-1.0	-51.57	288.24	4.18	-47.39
O=C(NCC1=CC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604788	0	30	-1.0	-36.27	274.42	1.04	-35.23
O=C(NCC1=CC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604788	1	30	-1.0	-36.25	274.49	1.04	-35.21
CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604789	0	39	-1.0	-47.92	301.28	1.81	-46.11
CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604789	1	39	-1.0	-47.96	301.34	1.82	-46.14
NC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604791	0	38	-1.0	-51.01	309.68	-0.84	-51.85
NC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604791	1	38	-1.0	-51.04	309.74	-0.82	-51.86
O=C(CCCC1=N[N-]N=N1)N1CC(C(F)(F)F)C1	REAL250004604792	0	29	-1.0	-47.45	265.36	3.12	-44.33
O=C(CCCC1=NN=N[N-]1)N1CC(C(F)(F)F)C1	REAL250004604792	1	29	-1.0	-47.45	265.42	3.13	-44.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C(F)(F)F)C1	REAL250004604793	0	29	-1.0	-35.98	273.32	2.95	-33.03
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C(F)(F)F)C1	REAL250004604793	1	29	-1.0	-35.96	273.38	2.97	-32.99
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CCC1	REAL250004604794	0	32	-1.0	-48.80	277.09	2.74	-46.06
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CCC1	REAL250004604794	1	32	-1.0	-48.84	277.15	2.76	-46.08
O=C(NCCN1C=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604795	0	36	-1.0	-56.19	310.72	6.28	-49.91
O=C(NCCN1C=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604795	1	36	-1.0	-56.01	311.19	6.26	-49.75
O=C(NCCN1C=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604796	0	33	-1.0	-37.15	296.97	3.16	-33.99
O=C(NCCN1C=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604796	1	33	-1.0	-37.13	297.03	3.16	-33.97
CC(CCS(C)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004604797	0	36	-1.0	-53.91	314.69	0.82	-53.09
CC(CCS(C)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004604797	1	36	-1.0	-53.91	314.74	0.83	-53.08
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)C1	REAL250004604798	0	31	-1.0	-54.82	272.64	-0.34	-55.16
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)C1	REAL250004604798	1	31	-1.0	-54.84	272.70	-0.33	-55.17
O=C(NC1CCS(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604799	0	31	-1.0	-43.98	284.33	-0.61	-44.59
O=C(NC1CCS(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604799	1	31	-1.0	-43.98	284.40	-0.60	-44.58
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC2CC2)N=C1	REAL250004604800	0	36	-1.0	-53.29	308.14	3.54	-49.75
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC2CC2)N=C1	REAL250004604800	1	36	-1.0	-53.27	308.08	3.53	-49.74
CN1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004604801	0	31	-1.0	-47.88	274.37	1.68	-46.20
CN1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004604801	1	31	-1.0	-47.89	274.43	1.70	-46.19
CN1N=CN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604802	0	34	-1.0	-51.77	299.61	4.61	-47.16
CN1N=CN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604802	1	34	-1.0	-51.57	299.71	4.64	-46.93
CN1N=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604803	0	31	-1.0	-38.57	285.83	1.51	-37.06
CN1N=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604803	1	31	-1.0	-38.52	285.90	1.51	-37.01
O=C(CCCC1=N[N-]N=N1)NCCCCC1CCCC1	REAL250004604804	0	44	-1.0	-46.38	347.87	5.39	-40.99
O=C(CCCC1=NN=N[N-]1)NCCCCC1CCCC1	REAL250004604804	1	44	-1.0	-46.38	347.93	5.40	-40.98
CC1CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004604805	0	39	-1.0	-48.98	320.81	6.67	-42.31
CC1CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004604805	1	39	-1.0	-48.98	320.87	6.68	-42.30
CCCC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604806	0	44	-1.0	-46.90	329.24	6.20	-40.70
CCCC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604806	1	44	-1.0	-46.93	329.30	6.22	-40.71
CC1(C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004604807	0	38	-1.0	-37.19	298.91	6.49	-30.70
CC1(C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004604807	1	38	-1.0	-37.02	299.01	6.49	-30.53
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004604808	0	35	-1.0	-36.20	290.73	4.13	-32.07
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004604808	1	35	-1.0	-36.14	290.80	4.13	-32.01
CSC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604809	0	35	-1.0	-46.39	294.94	3.01	-43.38
CSC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604809	1	35	-1.0	-46.42	294.99	3.03	-43.39
CSC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604810	0	35	-1.0	-36.45	305.52	2.80	-33.65
CSC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604810	1	35	-1.0	-36.45	305.60	2.81	-33.64
CCC1=CC=C(CC)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004604811	0	41	-1.0	-47.99	334.61	6.47	-41.52
CCC1=CC=C(CC)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004604811	1	41	-1.0	-47.97	334.67	6.49	-41.48
CC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004604812	0	34	-1.0	-46.64	305.33	1.94	-44.70
CC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004604812	1	34	-1.0	-46.65	305.39	1.95	-44.70
CC(C)(C)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004604814	0	37	-1.0	-52.10	321.10	4.61	-47.49
CC(C)(C)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004604814	1	37	-1.0	-52.10	321.04	4.59	-47.51
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004604815	0	35	-1.0	-53.69	280.66	6.06	-47.63
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004604815	1	35	-1.0	-53.46	280.75	6.08	-47.38
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004604816	0	32	-1.0	-35.59	266.37	3.93	-31.66
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004604816	1	32	-1.0	-35.55	266.43	3.95	-31.60
COC(C)(C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004604817	0	41	-1.0	-46.90	321.20	2.89	-44.01
COC(C)(C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004604817	1	41	-1.0	-46.88	321.26	2.91	-43.97
NC(=O)COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604818	0	40	-1.0	-58.40	327.79	0.76	-57.64
NC(=O)COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604818	1	40	-1.0	-58.46	327.85	0.78	-57.68
CC1CC1N1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004604820	0	40	-1.0	-52.15	330.22	2.88	-49.27
CC1CC1N1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004604820	1	40	-1.0	-52.15	330.27	2.89	-49.26
O=C(CCCC1=N[N-]N=N1)N1CCC(C(F)(F)F)CC1	REAL250004604821	0	35	-1.0	-48.02	294.27	4.53	-43.49
O=C(CCCC1=NN=N[N-]1)N1CCC(C(F)(F)F)CC1	REAL250004604821	1	35	-1.0	-48.03	294.33	4.55	-43.48
CCN1N=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004604822	0	38	-1.0	-52.12	319.72	2.98	-49.14
CCN1N=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004604822	1	38	-1.0	-52.11	319.78	2.99	-49.12
CN1C=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004604823	0	35	-1.0	-52.06	301.52	4.70	-47.36
CN1C=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004604823	1	35	-1.0	-52.09	301.58	4.71	-47.38
CC(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004604824	0	37	-1.0	-51.21	313.98	3.47	-47.74
CC(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004604824	1	37	-1.0	-51.18	314.04	3.48	-47.70
CCC(CC)(CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004604825	0	43	-1.0	-51.51	332.30	4.08	-47.43
CCC(CC)(CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004604825	1	43	-1.0	-51.54	332.36	4.10	-47.44
COCC(C)(CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004604826	0	41	-1.0	-50.52	331.87	1.49	-49.03
COCC(C)(CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004604826	1	41	-1.0	-50.52	331.93	1.51	-49.01
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004604827	0	34	-1.0	-45.51	291.62	3.97	-41.54
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004604827	1	34	-1.0	-45.54	291.67	3.98	-41.56
CC(C)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL250004604828	0	34	-1.0	-35.68	302.18	3.77	-31.91
CC(C)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL250004604828	1	34	-1.0	-35.66	302.25	3.77	-31.89
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN1C	REAL250004604829	0	36	-1.0	-59.98	311.84	3.52	-56.46
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN1C	REAL250004604829	1	36	-1.0	-59.97	311.90	3.53	-56.44
CNC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604830	0	41	-1.0	-51.16	328.89	-0.31	-51.47
CNC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604830	1	41	-1.0	-51.16	328.95	-0.30	-51.46
CC(C)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604831	0	39	-1.0	-47.15	323.87	3.57	-43.58
CC(C)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604831	1	39	-1.0	-47.20	323.92	3.58	-43.62
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004604832	0	37	-1.0	-55.49	309.41	-0.29	-55.78
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004604832	1	37	-1.0	-55.50	309.47	-0.28	-55.78
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)SC	REAL250004604833	0	41	-1.0	-48.06	324.52	4.03	-44.03
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)SC	REAL250004604833	1	41	-1.0	-48.11	324.58	4.05	-44.06
CC(C)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004604834	0	38	-1.0	-52.91	318.15	3.50	-49.41
CC(C)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004604834	1	38	-1.0	-52.89	318.09	3.49	-49.40
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1F	REAL250004604835	0	32	-1.0	-48.40	300.84	4.00	-44.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1F	REAL250004604835	1	32	-1.0	-48.41	300.89	4.01	-44.40
CC(C)C1OCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004604836	0	45	-1.0	-48.90	342.79	3.37	-45.53
CC(C)C1OCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004604836	1	45	-1.0	-48.90	342.85	3.38	-45.52
CN(CC1CCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004604837	0	36	-1.0	-47.47	288.49	2.55	-44.92
CN(CC1CCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004604837	1	36	-1.0	-47.45	288.55	2.57	-44.88
CN(CC1CCOC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604838	0	36	-1.0	-37.67	295.55	2.97	-34.70
CN(CC1CCOC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604838	1	36	-1.0	-37.66	295.61	2.98	-34.68
COC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004604839	0	39	-1.0	-51.01	323.58	3.25	-47.76
COC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004604839	1	39	-1.0	-51.03	323.63	3.26	-47.77
CC1=CC=CC2=C1N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004604841	0	36	-1.0	-48.28	290.13	6.04	-42.24
CC1=CC=CC2=C1N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004604841	1	36	-1.0	-48.28	290.19	6.05	-42.23
N#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004604842	0	39	-1.0	-49.94	316.00	4.02	-45.92
N#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004604842	1	39	-1.0	-49.99	316.05	4.03	-45.96
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CN=C21	REAL250004604843	0	37	-1.0	-49.75	297.86	2.86	-46.89
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CN=C21	REAL250004604843	1	37	-1.0	-49.73	297.92	2.88	-46.85
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)NC(=O)C2C1	REAL250004604844	0	35	-1.0	-51.09	295.03	-0.12	-51.21
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)NC(=O)C2C1	REAL250004604844	1	35	-1.0	-51.09	295.09	-0.11	-51.20
CCCCN(CCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004604845	0	43	-1.0	-46.55	343.23	6.58	-39.97
CCCCN(CCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004604845	1	43	-1.0	-46.53	343.29	6.60	-39.93
COCCOCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604846	0	43	-1.0	-48.47	353.04	2.78	-45.69
COCCOCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604846	1	43	-1.0	-48.46	353.09	2.79	-45.67
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604847	0	41	-1.0	-46.51	299.34	5.29	-41.22
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604847	1	41	-1.0	-46.52	299.40	5.30	-41.22
CC1(C2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004604848	0	39	-1.0	-45.71	328.06	5.70	-40.01
CC1(C2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004604848	1	39	-1.0	-45.78	328.12	5.71	-40.07
O=C(NCCC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604849	0	35	-1.0	-52.75	296.61	5.72	-47.03
O=C(NCCC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604849	1	35	-1.0	-52.56	296.71	5.72	-46.84
O=C(NCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604850	0	32	-1.0	-34.94	282.88	2.59	-32.35
O=C(NCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604850	1	32	-1.0	-34.86	282.95	2.60	-32.26
O=C(CCCC1=N[N-]N=N1)NC1CC1C1CCCCC1	REAL250004604851	0	42	-1.0	-45.69	327.17	6.02	-39.67
O=C(CCCC1=NN=N[N-]1)NC1CC1C1CCCCC1	REAL250004604851	1	42	-1.0	-45.70	327.22	6.04	-39.66
NC(=O)C1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004604852	0	39	-1.0	-55.41	311.15	0.69	-54.72
NC(=O)C1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004604852	1	39	-1.0	-55.45	311.21	0.70	-54.75
O=C(CCCC1=N[N-]N=N1)N1CCC2C(C1)C2(F)F	REAL250004604853	0	33	-1.0	-51.35	276.98	4.58	-46.77
O=C(CCCC1=NN=N[N-]1)N1CCC2C(C1)C2(F)F	REAL250004604853	1	33	-1.0	-51.36	277.04	4.60	-46.76
CCCCOCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004604854	0	45	-1.0	-49.49	373.10	2.33	-47.16
CCCCOCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004604854	1	45	-1.0	-49.48	373.16	2.34	-47.14
C[C@@H]1CCC[C@H](C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004604855	0	38	-1.0	-45.53	282.19	4.35	-41.18
C[C@@H]1CCC[C@H](C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004604855	1	38	-1.0	-45.54	282.25	4.37	-41.17
C[C@@H]1CCC[C@H](C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604856	0	38	-1.0	-38.48	297.21	4.33	-34.15
C[C@@H]1CCC[C@H](C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604856	1	38	-1.0	-38.48	297.29	4.33	-34.15
CCC1CC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004604857	0	38	-1.0	-47.27	301.15	4.88	-42.39
CCC1CC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004604857	1	38	-1.0	-47.25	301.21	4.89	-42.36
CCC1CC(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604858	0	38	-1.0	-36.50	309.24	5.09	-31.41
CCC1CC(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604858	1	38	-1.0	-36.44	309.31	5.09	-31.35
CC(C)(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004604859	0	41	-1.0	-49.61	338.71	0.86	-48.75
CC(C)(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004604859	1	41	-1.0	-49.62	338.77	0.87	-48.75
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004604860	0	39	-1.0	-46.05	314.33	5.29	-40.76
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004604860	1	39	-1.0	-46.05	314.38	5.31	-40.74
O=C(CCCC1=N[N-]N=N1)NCCOC1CCC1	REAL250004604861	0	36	-1.0	-47.08	301.78	1.92	-45.16
O=C(CCCC1=NN=N[N-]1)NCCOC1CCC1	REAL250004604861	1	36	-1.0	-47.07	301.84	1.93	-45.14
O=C(NCCOC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604862	0	36	-1.0	-36.65	312.38	1.72	-34.93
O=C(NCCOC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604862	1	36	-1.0	-36.66	312.45	1.72	-34.94
CC(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CS1	REAL250004604863	0	38	-1.0	-46.57	327.26	4.70	-41.87
CC(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CS1	REAL250004604863	1	38	-1.0	-46.59	327.32	4.71	-41.88
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C2CCCOC21	REAL250004604864	0	43	-1.0	-48.84	332.63	3.37	-45.47
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C2CCCOC21	REAL250004604864	1	43	-1.0	-48.83	332.69	3.38	-45.45
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1O	REAL250004604865	0	36	-1.0	-47.94	295.46	-0.17	-48.11
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1O	REAL250004604865	1	36	-1.0	-47.96	295.52	-0.16	-48.12
O=C(NCC1CCCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604866	0	36	-1.0	-36.76	306.05	-0.39	-37.15
O=C(NCC1CCCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604866	1	36	-1.0	-36.73	306.12	-0.38	-37.11
CN(CCC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004604867	0	35	-1.0	-47.86	308.90	5.46	-42.40
CN(CCC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004604867	1	35	-1.0	-47.86	308.96	5.48	-42.38
CC1=CC=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604868	0	35	-1.0	-47.24	289.64	4.96	-42.28
CC1=CC=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604868	1	35	-1.0	-47.25	289.70	4.97	-42.28
CC1=CC=CC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604869	0	35	-1.0	-36.21	300.28	4.77	-31.44
CC1=CC=CC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604869	1	35	-1.0	-36.27	300.22	4.76	-31.51
CC1=NN(C)C(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004604870	0	38	-1.0	-48.92	320.97	2.25	-46.67
CC1=NN(C)C(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004604870	1	38	-1.0	-48.89	321.03	2.26	-46.63
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2C=C1	REAL250004604871	0	38	-1.0	-47.23	325.20	5.73	-41.50
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2C=C1	REAL250004604871	1	38	-1.0	-47.18	325.26	5.74	-41.44
NC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004604872	0	36	-1.0	-54.28	313.63	0.25	-54.03
NC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004604872	1	36	-1.0	-54.26	313.69	0.27	-53.99
CCC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004604873	0	37	-1.0	-49.97	328.77	2.95	-47.02
CCC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004604873	1	37	-1.0	-49.94	328.83	2.96	-46.98
CCC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004604874	0	34	-1.0	-46.78	307.27	2.19	-44.59
CCC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004604874	1	34	-1.0	-46.85	307.33	2.21	-44.64
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1=CC=CC=C1	REAL250004604876	0	39	-1.0	-49.76	329.19	1.91	-47.85
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1=CC=CC=C1	REAL250004604876	1	39	-1.0	-49.78	329.25	1.92	-47.86
O=C(CCCC1=N[N-]N=N1)NCC(C1CC1)C1CC1	REAL250004604877	0	39	-1.0	-45.83	322.10	4.90	-40.93
O=C(CCCC1=NN=N[N-]1)NCC(C1CC1)C1CC1	REAL250004604877	1	39	-1.0	-45.85	322.16	4.91	-40.94
O=C(NCC(C1CC1)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604878	0	39	-1.0	-34.61	332.11	4.67	-29.94
O=C(NCC(C1CC1)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604878	1	39	-1.0	-34.59	332.18	4.68	-29.91
CSC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604879	0	39	-1.0	-50.01	319.73	5.37	-44.64
CSC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604879	1	39	-1.0	-50.03	319.78	5.39	-44.64
O=C(CCCC1=N[N-]N=N1)NCC1=NN=NN1C1CC1	REAL250004604881	0	34	-1.0	-48.75	300.10	1.10	-47.65
O=C(CCCC1=NN=N[N-]1)NCC1=NN=NN1C1CC1	REAL250004604881	1	34	-1.0	-48.79	300.16	1.11	-47.68
CC1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004604882	0	39	-1.0	-46.20	309.97	6.38	-39.82
CC1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004604882	1	39	-1.0	-46.17	310.03	6.39	-39.78
CC(C)(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004604883	0	41	-1.0	-47.12	306.77	5.73	-41.39
CC(C)(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004604883	1	41	-1.0	-47.12	306.83	5.75	-41.37
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCC2)CC1	REAL250004604884	0	45	-1.0	-46.60	338.32	6.64	-39.96
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCC2)CC1	REAL250004604884	1	45	-1.0	-46.65	338.37	6.66	-39.99
CC(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604885	0	41	-1.0	-47.08	322.99	5.46	-41.62
CC(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604885	1	41	-1.0	-47.10	323.05	5.47	-41.63
CC(C)OC(=O)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604888	0	40	-1.0	-52.52	335.37	3.60	-48.92
CC(C)OC(=O)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604888	1	40	-1.0	-52.53	335.43	3.62	-48.91
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)C2)CC1	REAL250004604889	0	40	-1.0	-51.59	312.91	1.47	-50.12
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)C2)CC1	REAL250004604889	1	40	-1.0	-51.59	312.96	1.48	-50.11
CCCC1C(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004604891	0	44	-1.0	-45.82	322.97	6.29	-39.53
CCCC1C(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004604891	1	44	-1.0	-45.85	323.03	6.31	-39.54
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1	REAL250004604892	0	36	-1.0	-46.00	294.31	5.11	-40.89
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1	REAL250004604892	1	36	-1.0	-46.03	294.37	5.12	-40.91
CC1=CC=C2C(=C1)OCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004604893	0	37	-1.0	-49.64	302.68	4.91	-44.73
CC1=CC=C2C(=C1)OCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004604893	1	37	-1.0	-49.64	302.74	4.93	-44.71
CC(C)(C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004604894	0	41	-1.0	-47.83	331.01	3.72	-44.11
CC(C)(C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004604894	1	41	-1.0	-47.85	331.07	3.73	-44.12
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004604895	0	36	-1.0	-46.17	297.31	4.82	-41.35
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004604895	1	36	-1.0	-46.16	297.36	4.83	-41.33
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004604897	0	35	-1.0	-45.28	301.15	2.92	-42.36
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004604897	1	35	-1.0	-45.30	301.20	2.93	-42.37
CSC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004604898	0	36	-1.0	-48.25	306.46	3.66	-44.59
CSC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004604898	1	36	-1.0	-48.25	306.51	3.67	-44.58
O=C(NCC1=NOC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604899	0	31	-1.0	-54.47	278.44	3.68	-50.79
O=C(NCC1=NOC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604899	1	31	-1.0	-54.30	278.54	3.71	-50.59
O=C(NCC1=NOC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604900	0	28	-1.0	-38.69	264.66	0.56	-38.13
O=C(NCC1=NOC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604900	1	28	-1.0	-38.65	264.73	0.58	-38.07
CC(C)N1C(=O)CC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004604901	0	38	-1.0	-53.79	319.38	1.52	-52.27
CC(C)N1C(=O)CC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004604901	1	38	-1.0	-53.81	319.44	1.53	-52.28
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CNN=C1	REAL250004604903	0	32	-1.0	-58.30	270.06	3.90	-54.40
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CNN=C1	REAL250004604903	1	32	-1.0	-58.13	270.15	3.92	-54.21
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CNN=C1	REAL250004604904	0	29	-1.0	-39.39	255.94	1.73	-37.66
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CNN=C1	REAL250004604904	1	29	-1.0	-39.37	256.00	1.75	-37.62
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004604907	0	38	-1.0	-48.37	301.85	4.46	-43.91
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004604907	1	38	-1.0	-48.38	301.91	4.48	-43.90
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL250004604908	0	38	-1.0	-37.67	309.12	4.31	-33.36
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL250004604908	1	38	-1.0	-37.66	309.19	4.32	-33.34
CCC1=CN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004604909	0	37	-1.0	-46.42	325.36	4.32	-42.10
CCC1=CN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004604909	1	37	-1.0	-46.44	325.42	4.33	-42.11
CC1=NN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL250004604910	0	35	-1.0	-49.23	293.44	3.37	-45.86
CC1=NN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL250004604910	1	35	-1.0	-49.27	293.50	3.38	-45.89
O=C(CCCC1=N[N-]N=N1)N1CC(OCC(F)F)C1	REAL250004604911	0	33	-1.0	-51.68	295.31	2.32	-49.36
O=C(CCCC1=NN=N[N-]1)N1CC(OCC(F)F)C1	REAL250004604911	1	33	-1.0	-51.72	295.37	2.34	-49.38
O=C(CCCC1=N[N-]N=N1)N1CCSC2CCCCC21	REAL250004604913	0	40	-1.0	-45.23	312.49	5.81	-39.42
O=C(CCCC1=NN=N[N-]1)N1CCSC2CCCCC21	REAL250004604913	1	40	-1.0	-45.27	312.55	5.82	-39.45
O=C(CCCC1=N[N-]N=N1)NCCOCC1=CC=CC=C1	REAL250004604914	0	39	-1.0	-48.54	334.53	3.56	-44.98
O=C(CCCC1=NN=N[N-]1)NCCOCC1=CC=CC=C1	REAL250004604914	1	39	-1.0	-48.58	334.59	3.58	-45.00
CN(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004604915	0	36	-1.0	-48.98	320.57	2.14	-46.84
CN(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004604915	1	36	-1.0	-48.98	320.63	2.15	-46.83
CC(O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004604916	0	39	-1.0	-47.55	329.80	1.76	-45.79
CC(O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004604916	1	39	-1.0	-47.54	329.86	1.78	-45.76
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOCC2	REAL250004604917	0	37	-1.0	-49.04	290.77	2.58	-46.46
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOCC2	REAL250004604917	1	37	-1.0	-49.05	290.83	2.60	-46.45
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C1=CC=CC=C1	REAL250004604918	0	41	-1.0	-48.10	335.13	5.60	-42.50
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C1=CC=CC=C1	REAL250004604918	1	41	-1.0	-48.13	335.19	5.62	-42.51
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC1CCCC1	REAL250004604919	0	41	-1.0	-45.01	339.16	4.35	-40.66
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC1CCCC1	REAL250004604919	1	41	-1.0	-45.05	339.22	4.36	-40.69
COC(=O)C1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004604920	0	36	-1.0	-53.37	297.46	2.79	-50.58
COC(=O)C1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004604920	1	36	-1.0	-53.38	297.51	2.81	-50.57
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C)O1	REAL250004604921	0	39	-1.0	-46.06	334.60	2.39	-43.67
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C)O1	REAL250004604921	1	39	-1.0	-46.10	334.65	2.40	-43.70
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004604922	0	36	-1.0	-48.49	312.81	1.57	-46.92
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004604922	1	36	-1.0	-48.51	312.87	1.59	-46.92
CCC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004604924	0	38	-1.0	-52.35	314.68	6.14	-46.21
CCC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004604924	1	38	-1.0	-52.12	315.04	6.16	-45.96
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004604925	0	35	-1.0	-34.73	300.93	3.05	-31.68
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004604925	1	35	-1.0	-34.67	301.00	3.06	-31.61
COCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604926	0	37	-1.0	-48.90	315.92	1.27	-47.63
COCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604926	1	37	-1.0	-48.93	315.98	1.28	-47.65
CCCCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604927	0	42	-1.0	-46.95	346.79	4.37	-42.58
CCCCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604927	1	42	-1.0	-46.93	346.85	4.38	-42.55
CC1=CC(=O)N(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604928	0	35	-1.0	-54.04	296.27	2.83	-51.21
CC1=CC(=O)N(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604928	1	35	-1.0	-54.08	296.33	2.84	-51.24
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)NC=N1	REAL250004604929	0	35	-1.0	-53.15	303.94	4.50	-48.65
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)NC=N1	REAL250004604929	1	35	-1.0	-52.99	304.04	4.50	-48.49
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC=N1	REAL250004604930	0	32	-1.0	-38.92	290.21	1.36	-37.56
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC=N1	REAL250004604930	1	32	-1.0	-38.84	290.28	1.36	-37.48
CCOC(=O)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604931	0	37	-1.0	-52.40	315.12	2.90	-49.50
CCOC(=O)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604931	1	37	-1.0	-52.41	315.18	2.91	-49.50
CNC(=O)[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604932	0	35	-1.0	-52.54	300.59	1.88	-50.66
CNC(=O)[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604932	1	35	-1.0	-52.33	300.69	1.90	-50.43
CNC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604933	0	32	-1.0	-40.87	286.81	-1.25	-42.12
CNC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604933	1	32	-1.0	-40.83	286.88	-1.23	-42.06
CCC(CC)N(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004604934	0	46	-1.0	-46.82	333.56	6.81	-40.01
CCC(CC)N(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004604934	1	46	-1.0	-46.83	333.62	6.83	-40.00
CC1=CN=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004604935	0	34	-1.0	-53.02	294.77	5.07	-47.95
CC1=CN=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004604935	1	34	-1.0	-52.85	294.37	5.13	-47.72
CC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004604936	0	31	-1.0	-35.93	280.02	2.05	-33.88
CC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004604936	1	31	-1.0	-35.96	279.95	2.04	-33.92
CC1(C)CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004604937	0	38	-1.0	-46.69	298.76	4.09	-42.60
CC1(C)CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004604937	1	38	-1.0	-46.74	298.82	4.11	-42.63
CC1(C)CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604938	0	38	-1.0	-35.15	309.34	3.88	-31.27
CC1(C)CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604938	1	38	-1.0	-35.11	309.41	3.88	-31.23
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)NCC2C1	REAL250004604939	0	36	-1.0	-51.17	292.19	0.48	-50.69
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)NCC2C1	REAL250004604939	1	36	-1.0	-51.15	292.25	0.50	-50.65
N#CC1CCCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604940	0	36	-1.0	-59.03	307.47	5.82	-53.21
N#CC1CCCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604940	1	36	-1.0	-59.76	307.95	5.81	-53.95
N#CC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604941	0	33	-1.0	-41.12	290.40	2.84	-38.28
N#CC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604941	1	33	-1.0	-41.12	290.47	2.84	-38.28
CN(CC(C)(C)O)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604943	0	38	-1.0	-39.61	301.98	4.31	-35.30
CN(CC(C)(C)O)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604943	1	38	-1.0	-39.52	302.08	4.33	-35.19
CN(CC(C)(C)O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604944	0	35	-1.0	-37.22	288.62	1.55	-35.67
CN(CC(C)(C)O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604944	1	35	-1.0	-37.24	288.69	1.56	-35.68
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1Cl	REAL250004604945	0	31	-1.0	-46.82	283.62	2.63	-44.19
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1Cl	REAL250004604945	1	31	-1.0	-46.81	283.56	2.62	-44.19
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL250004604946	0	37	-1.0	-50.89	316.51	5.50	-45.39
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL250004604946	1	37	-1.0	-50.88	316.45	5.48	-45.40
CCC(C)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004604947	0	40	-1.0	-46.33	311.38	5.45	-40.88
CCC(C)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004604947	1	40	-1.0	-46.35	311.44	5.46	-40.89
CCC(C)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604948	0	40	-1.0	-35.58	317.99	6.17	-29.41
CCC(C)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604948	1	40	-1.0	-35.59	318.06	6.18	-29.41
O=C(CCCC1=N[N-]N=N1)N(CC1CCC1)C1=CC=CC=C1	REAL250004604949	0	42	-1.0	-44.67	342.67	8.00	-36.67
O=C(CCCC1=NN=N[N-]1)N(CC1CCC1)C1=CC=CC=C1	REAL250004604949	1	42	-1.0	-44.66	342.73	8.02	-36.64
CC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604950	0	33	-1.0	-52.80	291.63	4.58	-48.22
CC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604950	1	33	-1.0	-52.85	291.68	4.60	-48.25
COC1=CC=C(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604951	0	35	-1.0	-53.16	299.40	3.06	-50.10
COC1=CC=C(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604951	1	35	-1.0	-53.17	299.46	3.07	-50.10
CCC(C)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004604952	0	40	-1.0	-46.33	311.38	5.45	-40.88
CCC(C)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004604952	1	40	-1.0	-46.35	311.44	5.46	-40.89
CCC(C)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604953	0	40	-1.0	-35.58	317.99	6.17	-29.41
CCC(C)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604953	1	40	-1.0	-35.59	318.06	6.18	-29.41
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC2)C(=O)C1	REAL250004604954	0	37	-1.0	-48.31	301.20	3.08	-45.23
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC2)C(=O)C1	REAL250004604954	1	37	-1.0	-48.33	301.26	3.10	-45.23
CN(CC1=CC2=CC=CC=C2N1)C(=O)CCCC1=N[N-]N=N1	REAL250004604955	0	39	-1.0	-48.76	329.06	5.55	-43.21
CN(CC1=CC2=CC=CC=C2N1)C(=O)CCCC1=NN=N[N-]1	REAL250004604955	1	39	-1.0	-48.76	329.12	5.56	-43.20
NC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004604956	0	33	-1.0	-48.62	298.37	-1.54	-50.16
NC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004604956	1	33	-1.0	-48.66	298.43	-1.53	-50.19
CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004604957	0	43	-1.0	-44.36	340.56	4.32	-40.04
CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004604957	1	43	-1.0	-44.35	340.62	4.34	-40.01
CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004604958	0	35	-1.0	-52.22	296.40	5.47	-46.75
CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004604958	1	35	-1.0	-52.04	296.54	5.49	-46.55
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004604959	0	32	-1.0	-34.73	282.62	2.34	-32.39
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004604959	1	32	-1.0	-34.70	282.69	2.35	-32.35
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004604961	0	35	-1.0	-47.21	291.07	0.64	-46.57
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004604961	1	35	-1.0	-47.18	291.12	0.66	-46.52
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)N(C)C	REAL250004604962	0	35	-1.0	-40.73	302.02	0.43	-40.30
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)N(C)C	REAL250004604962	1	35	-1.0	-40.69	302.09	0.45	-40.24
CSC1=CC=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004604963	0	32	-1.0	-49.79	286.72	2.68	-47.11
CSC1=CC=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004604963	1	32	-1.0	-49.77	286.66	2.67	-47.10
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604964	0	38	-1.0	-47.00	295.84	4.85	-42.15
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604964	1	38	-1.0	-47.00	295.90	4.86	-42.14
CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004604965	0	38	-1.0	-35.01	303.87	5.10	-29.91
CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004604965	1	38	-1.0	-34.99	303.94	5.11	-29.88
COC1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004604966	0	39	-1.0	-49.69	314.05	2.28	-47.41
COC1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004604966	1	39	-1.0	-49.68	314.11	2.30	-47.38
CC(C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604967	0	38	-1.0	-45.92	307.46	4.10	-41.82
CC(C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604967	1	38	-1.0	-45.93	307.51	4.12	-41.81
CC(C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004604968	0	38	-1.0	-34.82	318.26	3.90	-30.92
CC(C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004604968	1	38	-1.0	-34.78	318.33	3.90	-30.88
CCC(C)(CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004604970	0	40	-1.0	-51.51	315.63	3.19	-48.32
CCC(C)(CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004604970	1	40	-1.0	-51.47	315.69	3.21	-48.26
CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004604971	0	34	-1.0	-44.89	286.87	2.02	-42.87
CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004604971	1	34	-1.0	-44.90	286.92	2.04	-42.86
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC	REAL250004604972	0	34	-1.0	-37.05	297.45	1.80	-35.25
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC	REAL250004604972	1	34	-1.0	-37.10	297.52	1.82	-35.28
O=C(CCCC1=N[N-]N=N1)N(CC1CC1)C1=CC=CC=C1	REAL250004604973	0	39	-1.0	-47.66	326.02	7.48	-40.18
O=C(CCCC1=NN=N[N-]1)N(CC1CC1)C1=CC=CC=C1	REAL250004604973	1	39	-1.0	-47.61	326.07	7.49	-40.12
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=NC=C1	REAL250004604974	0	35	-1.0	-49.79	311.39	1.15	-48.64
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=NC=C1	REAL250004604974	1	35	-1.0	-49.85	311.45	1.17	-48.68
NC(=O)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004604975	0	33	-1.0	-68.70	292.41	-2.45	-71.15
NC(=O)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004604975	1	33	-1.0	-68.67	292.47	-2.43	-71.10
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)NC(=O)N1	REAL250004604976	0	32	-1.0	-60.81	284.19	-0.52	-61.33
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)NC(=O)N1	REAL250004604976	1	32	-1.0	-60.81	284.25	-0.51	-61.32
O=C(CCCC1=N[N-]N=N1)NCC1CSCCS1	REAL250004604977	0	34	-1.0	-46.22	302.79	3.45	-42.77
O=C(CCCC1=NN=N[N-]1)NCC1CSCCS1	REAL250004604977	1	34	-1.0	-46.24	302.85	3.47	-42.77
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N(C)C=C1	REAL250004604978	0	35	-1.0	-63.01	299.86	3.92	-59.09
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N(C)C=C1	REAL250004604978	1	35	-1.0	-63.05	299.92	3.94	-59.11
CCOC(CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004604979	0	44	-1.0	-48.09	349.74	3.21	-44.88
CCOC(CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004604979	1	44	-1.0	-48.09	349.80	3.22	-44.87
CN(C)C(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604980	0	40	-1.0	-56.43	338.32	2.63	-53.80
CN(C)C(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604980	1	40	-1.0	-56.42	338.38	2.65	-53.77
O=C(CCCC1=NN=N[N-]1)NC1=NN(CC(F)F)C=C1	REAL250004604981	0	32	-1.0	-50.65	288.47	3.28	-47.37
O=C(CCCC1=N[N-]N=N1)NC1=NN(CC(F)F)C=C1	REAL250004604981	1	32	-1.0	-50.62	288.41	3.27	-47.35
CCCCC(CCC)NC(=O)CCCC1=N[N-]N=N1	REAL250004604982	0	43	-1.0	-46.31	338.77	5.15	-41.16
CCCCC(CCC)NC(=O)CCCC1=NN=N[N-]1	REAL250004604982	1	43	-1.0	-46.32	338.82	5.17	-41.15
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004604983	0	36	-1.0	-45.73	294.31	4.99	-40.74
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004604983	1	36	-1.0	-45.74	294.37	5.01	-40.73
CC1C(C2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004604984	0	42	-1.0	-48.70	337.35	6.97	-41.73
CC1C(C2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004604984	1	42	-1.0	-48.75	337.41	6.99	-41.76
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NNN=C2C=C1	REAL250004604985	0	31	-1.0	-53.87	272.96	0.64	-53.23
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NNN=C2C=C1	REAL250004604985	1	31	-1.0	-53.86	273.02	0.65	-53.21
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC2=CC=NC=C21	REAL250004604986	0	33	-1.0	-48.34	285.94	2.08	-46.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC2=CC=NC=C21	REAL250004604986	1	33	-1.0	-48.33	285.88	2.06	-46.27
CCC1=CNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604987	0	32	-1.0	-41.10	288.02	2.22	-38.88
CCC1=CNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604987	1	32	-1.0	-41.09	288.08	2.24	-38.85
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004604988	0	38	-1.0	-46.78	323.32	5.01	-41.77
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004604988	1	38	-1.0	-46.75	323.37	5.03	-41.72
CC1CC(C)(C)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004604989	0	44	-1.0	-47.03	334.75	4.89	-42.14
CC1CC(C)(C)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004604989	1	44	-1.0	-47.03	334.81	4.91	-42.12
CCSC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004604990	0	42	-1.0	-46.11	339.97	5.51	-40.60
CCSC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004604990	1	42	-1.0	-46.14	340.03	5.52	-40.62
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004604991	0	42	-1.0	-48.07	323.53	2.85	-45.22
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004604991	1	42	-1.0	-48.05	323.59	2.86	-45.19
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)C=C1	REAL250004604992	0	36	-1.0	-48.35	305.38	3.93	-44.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)C=C1	REAL250004604992	1	36	-1.0	-48.36	305.43	3.94	-44.42
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)C=C1	REAL250004604993	0	36	-1.0	-37.94	315.97	3.71	-34.23
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)C=C1	REAL250004604993	1	36	-1.0	-37.92	316.04	3.73	-34.19
CO[C@H]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004604994	0	36	-1.0	-56.76	296.39	4.32	-52.44
CO[C@H]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004604994	1	36	-1.0	-56.55	296.50	4.33	-52.22
CO[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004604995	0	33	-1.0	-35.98	283.49	2.01	-33.97
CO[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004604995	1	33	-1.0	-35.95	283.56	2.02	-33.93
O=C(CCCC1=N[N-]N=N1)NCCCNC(=O)C1CCC1	REAL250004604996	0	42	-1.0	-54.53	348.50	1.67	-52.86
O=C(CCCC1=NN=N[N-]1)NCCCNC(=O)C1CCC1	REAL250004604996	1	42	-1.0	-54.50	348.56	1.68	-52.82
CO[C@@H]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004604997	0	36	-1.0	-39.98	295.20	4.27	-35.71
CO[C@@H]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004604997	1	36	-1.0	-39.81	295.30	4.28	-35.53
CO[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004604998	0	33	-1.0	-36.04	283.44	2.02	-34.02
CO[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004604998	1	33	-1.0	-36.00	283.51	2.03	-33.97
CC(C)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004604999	0	43	-1.0	-46.29	326.90	4.39	-41.90
CC(C)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004604999	1	43	-1.0	-46.31	326.96	4.41	-41.90
CCCCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004605000	0	41	-1.0	-47.67	337.61	7.46	-40.21
CCCCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004605000	1	41	-1.0	-47.68	337.67	7.47	-40.21
CC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004605001	0	31	-1.0	-47.44	279.36	1.97	-45.47
CC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004605001	1	31	-1.0	-47.49	279.42	1.98	-45.51
CCCC(NC(=O)C1=CC2=CC=C(C)C=C2N1)C1=NN=N[N-]1	REAL250004605002	0	39	-1.0	-45.90	329.48	4.23	-41.67
CCCC(NC(=O)C1=CC2=CC=C(C)C=C2N1)C1=N[N-]N=N1	REAL250004605002	1	39	-1.0	-45.90	329.42	4.22	-41.68
CCCC(NC(=O)CCNS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605003	0	36	-1.0	-49.59	317.45	-2.57	-52.16
CCCC(NC(=O)CCNS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605003	1	36	-1.0	-49.60	317.51	-2.55	-52.15
CCCC(NC(=O)CCC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL250004605004	0	41	-1.0	-45.70	340.86	2.65	-43.05
CCCC(NC(=O)CCC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL250004605004	1	41	-1.0	-45.68	340.80	2.63	-43.05
CCCC(NC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004605005	0	39	-1.0	-47.99	319.83	5.52	-42.47
CCCC(NC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004605005	1	39	-1.0	-47.97	319.89	5.54	-42.43
CCCC(NC(=O)CCC1=CC=CS1)C1=N[N-]N=N1	REAL250004605006	0	35	-1.0	-45.00	310.54	4.19	-40.81
CCCC(NC(=O)CCC1=CC=CS1)C1=NN=N[N-]1	REAL250004605006	1	35	-1.0	-45.03	310.60	4.21	-40.82
CCCC(NC(=O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605007	0	39	-1.0	-49.94	333.39	4.69	-45.25
CCCC(NC(=O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605007	1	39	-1.0	-49.94	333.45	4.70	-45.24
CCCC(NC(=O)C1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004605008	0	31	-1.0	-45.53	274.94	1.71	-43.82
CCCC(NC(=O)C1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004605008	1	31	-1.0	-45.55	275.00	1.72	-43.83
CCCC(NC(=O)CCC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004605009	0	38	-1.0	-48.62	325.88	5.14	-43.48
CCCC(NC(=O)CCC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004605009	1	38	-1.0	-48.63	325.94	5.15	-43.48
CCCC(NC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004605010	0	32	-1.0	-47.37	280.71	3.68	-43.69
CCCC(NC(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004605010	1	32	-1.0	-47.33	280.77	3.70	-43.63
CCCC(NC(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605011	0	38	-1.0	-50.25	315.87	5.91	-44.34
CCCC(NC(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605011	1	38	-1.0	-50.25	315.81	5.89	-44.36
CCCC(NC(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605012	0	35	-1.0	-47.58	295.70	4.28	-43.30
CCCC(NC(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605012	1	35	-1.0	-47.60	295.76	4.29	-43.31
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=N[N-]N=N1	REAL250004605013	0	31	-1.0	-41.59	288.98	2.29	-39.30
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=NN=N[N-]1	REAL250004605013	1	31	-1.0	-41.60	289.04	2.31	-39.29
CCCC(NC(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004605014	0	32	-1.0	-48.51	286.83	4.13	-44.38
CCCC(NC(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004605014	1	32	-1.0	-48.53	286.88	4.14	-44.39
CCCC(NC(=O)C=CC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004605015	0	36	-1.0	-46.75	313.37	3.84	-42.91
CCCC(NC(=O)C=CC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004605015	1	36	-1.0	-46.76	313.43	3.85	-42.91
CCCC(NC(=O)CNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL250004605016	0	36	-1.0	-46.19	317.49	0.12	-46.07
CCCC(NC(=O)CNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL250004605016	1	36	-1.0	-46.20	317.55	0.14	-46.06
CCCC(NC(=O)C1CC2C=CC1C2)C1=N[N-]N=N1	REAL250004605017	0	37	-1.0	-46.04	297.47	4.05	-41.99
CCCC(NC(=O)C1CC2C=CC1C2)C1=NN=N[N-]1	REAL250004605017	1	37	-1.0	-46.06	297.53	4.07	-41.99
CCCC(NC(=O)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605018	0	38	-1.0	-46.43	315.69	4.78	-41.65
CCCC(NC(=O)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605018	1	38	-1.0	-46.45	315.75	4.80	-41.65
CCCC(NC(=O)C1=COCCO1)C1=N[N-]N=N1	REAL250004605019	0	32	-1.0	-49.67	272.45	1.26	-48.41
CCCC(NC(=O)C1=COCCO1)C1=NN=N[N-]1	REAL250004605019	1	32	-1.0	-49.69	272.51	1.28	-48.41
CCCC(NC(=O)C1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004605020	0	32	-1.0	-44.91	293.22	4.21	-40.70
CCCC(NC(=O)C1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004605020	1	32	-1.0	-44.91	293.27	4.22	-40.69
CCCC(NC(=O)C1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004605021	0	32	-1.0	-45.56	278.91	0.56	-45.00
CCCC(NC(=O)C1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004605021	1	32	-1.0	-45.56	278.97	0.58	-44.98
CCCC(NC(=O)CSC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004605022	0	35	-1.0	-46.50	312.57	2.99	-43.51
CCCC(NC(=O)CSC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004605022	1	35	-1.0	-46.49	312.63	3.01	-43.48
CCCC(NC(=O)COC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605023	0	39	-1.0	-49.49	329.24	4.86	-44.63
CCCC(NC(=O)COC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605023	1	39	-1.0	-49.51	329.30	4.88	-44.63
CCCC(NC(=O)CCC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004605024	0	40	-1.0	-44.46	337.45	3.86	-40.60
CCCC(NC(=O)CCC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004605024	1	40	-1.0	-44.45	337.51	3.88	-40.57
CCCC(NC(=O)CN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004605025	0	35	-1.0	-61.90	303.09	2.92	-58.98
CCCC(NC(=O)CN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004605025	1	35	-1.0	-61.95	303.15	2.93	-59.02
CCCC(NC(=O)C=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605026	0	39	-1.0	-46.42	330.23	5.49	-40.93
CCCC(NC(=O)C=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605026	1	39	-1.0	-46.46	330.29	5.51	-40.95
CCCC(NC(=O)C1=CC=C(COC)C=C1)C1=N[N-]N=N1	REAL250004605027	0	39	-1.0	-47.12	329.35	3.35	-43.77
CCCC(NC(=O)C1=CC=C(COC)C=C1)C1=NN=N[N-]1	REAL250004605027	1	39	-1.0	-47.08	329.41	3.36	-43.72
CCCC(NC(=O)CC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004605028	0	42	-1.0	-48.02	344.47	6.20	-41.82
CCCC(NC(=O)CC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004605028	1	42	-1.0	-48.02	344.52	6.22	-41.80
CCCC(NC(=O)C1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004605029	0	31	-1.0	-49.40	282.02	2.31	-47.09
CCCC(NC(=O)C1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004605029	1	31	-1.0	-49.35	281.96	2.30	-47.05
CCCC(NC(=O)CC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605030	0	41	-1.0	-45.48	333.76	5.55	-39.93
CCCC(NC(=O)CC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605030	1	41	-1.0	-45.47	333.82	5.57	-39.90
CCCC(NC(=O)C1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL250004605031	0	36	-1.0	-46.44	314.34	4.64	-41.80
CCCC(NC(=O)C1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL250004605031	1	36	-1.0	-46.47	314.40	4.66	-41.81
CCCC(NC(=O)C1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004605032	0	36	-1.0	-51.09	308.78	0.41	-50.68
CCCC(NC(=O)C1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004605032	1	36	-1.0	-51.11	308.84	0.43	-50.68
CCCC(NC(=O)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004605033	0	35	-1.0	-51.25	304.34	4.33	-46.92
CCCC(NC(=O)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004605033	1	35	-1.0	-51.21	304.40	4.35	-46.86
CCCC(NC(=O)COC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605034	0	39	-1.0	-49.06	327.91	4.90	-44.16
CCCC(NC(=O)COC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605034	1	39	-1.0	-49.05	327.97	4.91	-44.14
CCCC(NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605035	0	38	-1.0	-45.16	320.31	5.10	-40.06
CCCC(NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605035	1	38	-1.0	-45.15	320.37	5.13	-40.02
CCCC(NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004605036	0	38	-1.0	-46.00	300.08	3.87	-42.13
CCCC(NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004605036	1	38	-1.0	-46.01	300.14	3.88	-42.13
CCCC(NC(=O)CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004605037	0	39	-1.0	-48.50	330.83	4.35	-44.15
CCCC(NC(=O)CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004605037	1	39	-1.0	-48.48	330.89	4.37	-44.11
CCCC(NC(=O)CCNC(C)=O)C1=N[N-]N=N1	REAL250004605038	0	35	-1.0	-54.52	299.42	-0.37	-54.89
CCCC(NC(=O)CCNC(C)=O)C1=NN=N[N-]1	REAL250004605038	1	35	-1.0	-54.51	299.47	-0.35	-54.86
CCCC(NC(=O)CN1CCCCCC1=O)C1=N[N-]N=N1	REAL250004605039	0	42	-1.0	-58.55	330.86	3.34	-55.21
CCCC(NC(=O)CN1CCCCCC1=O)C1=NN=N[N-]1	REAL250004605039	1	42	-1.0	-58.56	330.92	3.35	-55.21
CCCC(NC(=O)C1=CC(CC)=C(C)S1)C1=N[N-]N=N1	REAL250004605040	0	38	-1.0	-46.38	327.12	4.69	-41.69
CCCC(NC(=O)C1=CC(CC)=C(C)S1)C1=NN=N[N-]1	REAL250004605040	1	38	-1.0	-46.39	327.17	4.71	-41.68
CCCC(NC(=O)C1=CC=C(CSC)O1)C1=N[N-]N=N1	REAL250004605041	0	36	-1.0	-47.06	325.16	3.68	-43.38
CCCC(NC(=O)C1=CC=C(CSC)O1)C1=NN=N[N-]1	REAL250004605041	1	36	-1.0	-47.06	325.22	3.70	-43.36
CCCC(NC(=O)CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605042	0	36	-1.0	-46.81	317.44	4.76	-42.05
CCCC(NC(=O)CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605042	1	36	-1.0	-46.83	317.50	4.78	-42.05
CCCC(NC(=O)CC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL250004605043	0	39	-1.0	-47.56	327.24	3.65	-43.91
CCCC(NC(=O)CC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL250004605043	1	39	-1.0	-47.52	327.30	3.67	-43.85
CCCC(NC(=O)CN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL250004605044	0	34	-1.0	-53.97	299.29	-1.17	-55.14
CCCC(NC(=O)CN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL250004605044	1	34	-1.0	-53.96	299.35	-1.16	-55.12
CCCC(NC(=O)CCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004605045	0	38	-1.0	-46.60	332.05	4.98	-41.62
CCCC(NC(=O)CCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004605045	1	38	-1.0	-46.59	332.10	5.00	-41.59
CCCC(NC(=O)C1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004605046	0	36	-1.0	-48.40	307.10	0.94	-47.46
CCCC(NC(=O)C1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004605046	1	36	-1.0	-48.39	307.16	0.96	-47.43
CCCC(NC(=O)C1=CC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004605047	0	36	-1.0	-50.79	310.37	2.09	-48.70
CCCC(NC(=O)C1=CC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004605047	1	36	-1.0	-50.80	310.31	2.08	-48.72
CCCC(NC(=O)COC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004605048	0	36	-1.0	-53.70	314.07	4.25	-49.45
CCCC(NC(=O)COC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004605048	1	36	-1.0	-53.70	314.12	4.26	-49.44
CCCC(NC(=O)C=CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605049	0	39	-1.0	-46.58	326.37	5.34	-41.24
CCCC(NC(=O)C=CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605049	1	39	-1.0	-46.51	326.43	5.36	-41.15
CCCC(NC(=O)C=CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605050	0	39	-1.0	-46.53	330.24	5.48	-41.05
CCCC(NC(=O)C=CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605050	1	39	-1.0	-46.51	330.29	5.49	-41.02
CCCC(NC(=O)C=CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004605051	0	37	-1.0	-47.19	329.59	5.21	-41.98
CCCC(NC(=O)C=CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004605051	1	37	-1.0	-47.18	329.65	5.23	-41.95
CCCC(NC(=O)CN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004605052	0	35	-1.0	-54.56	304.63	1.36	-53.20
CCCC(NC(=O)CN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004605052	1	35	-1.0	-54.56	304.69	1.38	-53.18
CCCC(NC(=O)C1=C(C)N(C)C(C)=C1)C1=N[N-]N=N1	REAL250004605053	0	39	-1.0	-50.01	319.55	4.18	-45.83
CCCC(NC(=O)C1=C(C)N(C)C(C)=C1)C1=NN=N[N-]1	REAL250004605053	1	39	-1.0	-50.00	319.61	4.20	-45.80
CCCC(NC(=O)C1CCN(C(N)=O)CC1)C1=N[N-]N=N1	REAL250004605054	0	41	-1.0	-53.88	327.63	0.13	-53.75
CCCC(NC(=O)C1CCN(C(N)=O)CC1)C1=NN=N[N-]1	REAL250004605054	1	41	-1.0	-53.89	327.69	0.15	-53.74
CCCC(NC(=O)CC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL250004605055	0	41	-1.0	-47.31	337.34	5.50	-41.81
CCCC(NC(=O)CC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL250004605055	1	41	-1.0	-47.26	337.39	5.51	-41.75
CCCC(NC(=O)CC1=CSC(C)=N1)C1=N[N-]N=N1	REAL250004605056	0	34	-1.0	-52.25	304.36	2.17	-50.08
CCCC(NC(=O)CC1=CSC(C)=N1)C1=NN=N[N-]1	REAL250004605056	1	34	-1.0	-52.22	304.41	2.18	-50.04
CCCC(NC(=O)CSC(C)(C)C)C1=N[N-]N=N1	REAL250004605057	0	38	-1.0	-46.66	318.31	3.73	-42.93
CCCC(NC(=O)CSC(C)(C)C)C1=NN=N[N-]1	REAL250004605057	1	38	-1.0	-46.67	318.37	3.75	-42.92
CCCC(NC(=O)COC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004605058	0	36	-1.0	-47.74	314.25	4.25	-43.49
CCCC(NC(=O)COC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004605058	1	36	-1.0	-47.71	314.31	4.28	-43.43
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004605059	0	31	-1.0	-41.31	296.29	3.46	-37.85
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004605059	1	31	-1.0	-41.33	296.35	3.47	-37.86
CCCC(NC(=O)CCC1NC(=O)NC1=O)C1=N[N-]N=N1	REAL250004605060	0	37	-1.0	-52.67	318.88	-2.50	-55.17
CCCC(NC(=O)CCC1NC(=O)NC1=O)C1=NN=N[N-]1	REAL250004605060	1	37	-1.0	-52.70	318.94	-2.48	-55.18
CCCC(NC(=O)C1CCN(C(C)=O)CC1)C1=N[N-]N=N1	REAL250004605061	0	42	-1.0	-53.32	333.71	2.61	-50.71
CCCC(NC(=O)C1CCN(C(C)=O)CC1)C1=NN=N[N-]1	REAL250004605061	1	42	-1.0	-53.34	333.76	2.63	-50.71
CCCC(NC(=O)COC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605062	0	39	-1.0	-49.09	329.24	4.86	-44.23
CCCC(NC(=O)COC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605062	1	39	-1.0	-49.09	329.30	4.88	-44.21
CCCC(NC(=O)C1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004605063	0	34	-1.0	-42.92	296.79	0.72	-42.20
CCCC(NC(=O)C1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004605063	1	34	-1.0	-42.92	296.85	0.74	-42.18
CCCC(NC(=O)C1=CC=CC=C1SC)C1=N[N-]N=N1	REAL250004605064	0	36	-1.0	-49.78	310.01	4.63	-45.15
CCCC(NC(=O)C1=CC=CC=C1SC)C1=NN=N[N-]1	REAL250004605064	1	36	-1.0	-49.81	310.07	4.65	-45.16
CCCC(NC(=O)C1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004605065	0	37	-1.0	-58.07	313.45	4.45	-53.62
CCCC(NC(=O)C1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004605065	1	37	-1.0	-58.06	313.39	4.43	-53.63
CCCC(NC(=O)C(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605066	0	39	-1.0	-49.42	325.27	4.76	-44.66
CCCC(NC(=O)C(C)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605066	1	39	-1.0	-49.39	325.32	4.78	-44.61
CCCC(NC(=O)C1=CC=[N+]([O-])C=C1)C1=N[N-]N=N1	REAL250004605067	0	32	-1.0	-50.15	281.74	2.25	-47.90
CCCC(NC(=O)C1=CC=[N+]([O-])C=C1)C1=NN=N[N-]1	REAL250004605067	1	32	-1.0	-50.19	281.79	2.26	-47.93
CCCC(NC(=O)CC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL250004605068	0	39	-1.0	-47.44	328.43	3.60	-43.84
CCCC(NC(=O)CC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL250004605068	1	39	-1.0	-47.47	328.48	3.61	-43.86
CCCC(NC(=O)CCC1CCCCC1)C1=N[N-]N=N1	REAL250004605069	0	44	-1.0	-45.20	341.10	5.26	-39.94
CCCC(NC(=O)CCC1CCCCC1)C1=NN=N[N-]1	REAL250004605069	1	44	-1.0	-45.24	341.16	5.29	-39.95
CCCC(NC(=O)COC1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004605070	0	37	-1.0	-52.48	318.60	1.87	-50.61
CCCC(NC(=O)COC1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004605070	1	37	-1.0	-52.42	318.66	1.89	-50.53
CCCC(NC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004605071	0	29	-1.0	-42.42	283.45	3.26	-39.16
CCCC(NC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004605071	1	29	-1.0	-42.42	283.51	3.27	-39.15
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004605072	0	41	-1.0	-46.45	334.45	5.53	-40.92
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004605072	1	41	-1.0	-46.46	334.51	5.55	-40.91
CCCC(NC(=O)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004605073	0	35	-1.0	-48.71	312.84	4.71	-44.00
CCCC(NC(=O)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004605073	1	35	-1.0	-48.76	312.90	4.72	-44.04
CCCC(NC(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004605074	0	33	-1.0	-48.99	295.15	4.02	-44.97
CCCC(NC(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004605074	1	33	-1.0	-49.01	295.21	4.04	-44.97
CCCC(NC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004605075	0	35	-1.0	-45.27	305.33	4.36	-40.91
CCCC(NC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004605075	1	35	-1.0	-45.26	305.39	4.38	-40.88
CCCC(NC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL250004605076	0	41	-1.0	-45.31	318.76	4.57	-40.74
CCCC(NC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL250004605076	1	41	-1.0	-45.28	318.82	4.59	-40.69
CCCC(NC(=O)C(C)NC(C)=O)C1=N[N-]N=N1	REAL250004605077	0	35	-1.0	-42.99	296.85	-0.16	-43.15
CCCC(NC(=O)C(C)NC(C)=O)C1=NN=N[N-]1	REAL250004605077	1	35	-1.0	-43.00	296.91	-0.15	-43.15
CCCC(NC(=O)C(C)NC(N)=O)C1=N[N-]N=N1	REAL250004605078	0	34	-1.0	-43.55	290.06	-2.94	-46.49
CCCC(NC(=O)C(C)NC(N)=O)C1=NN=N[N-]1	REAL250004605078	1	34	-1.0	-43.52	290.12	-2.92	-46.44
CCCC(NC(=O)C1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL250004605079	0	39	-1.0	-46.71	325.55	3.87	-42.84
CCCC(NC(=O)C1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL250004605079	1	39	-1.0	-46.69	325.61	3.89	-42.80
CCCC(NC(=O)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004605080	0	35	-1.0	-45.82	305.52	4.03	-41.79
CCCC(NC(=O)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004605080	1	35	-1.0	-45.82	305.58	4.04	-41.78
CCCC(NC(=O)C1=NNC(=O)C=C1)C1=N[N-]N=N1	REAL250004605081	0	31	-1.0	-42.34	276.17	-0.88	-43.22
CCCC(NC(=O)C1=NNC(=O)C=C1)C1=NN=N[N-]1	REAL250004605081	1	31	-1.0	-42.33	276.23	-0.86	-43.19
CCCC(NC(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004605082	0	35	-1.0	-45.87	305.33	4.36	-41.51
CCCC(NC(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004605082	1	35	-1.0	-45.87	305.39	4.38	-41.49
CCCC(NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004605083	0	29	-1.0	-45.82	266.44	2.62	-43.20
CCCC(NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004605083	1	29	-1.0	-45.81	266.50	2.64	-43.17
CCCC(NC(=O)C1=CN=C(C)C=N1)C1=N[N-]N=N1	REAL250004605084	0	33	-1.0	-46.40	287.94	0.65	-45.75
CCCC(NC(=O)C1=CN=C(C)C=N1)C1=NN=N[N-]1	REAL250004605084	1	33	-1.0	-46.40	288.00	0.66	-45.74
CCCC(NC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004605085	0	32	-1.0	-47.67	285.24	3.77	-43.90
CCCC(NC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004605085	1	32	-1.0	-47.66	285.30	3.78	-43.88
CCCC(NC(=O)CC1=CSC=C1)C1=N[N-]N=N1	REAL250004605086	0	32	-1.0	-45.55	288.90	3.23	-42.32
CCCC(NC(=O)CC1=CSC=C1)C1=NN=N[N-]1	REAL250004605086	1	32	-1.0	-45.55	288.96	3.25	-42.30
CCCC(NC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605087	0	35	-1.0	-47.16	295.70	4.29	-42.87
CCCC(NC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605087	1	35	-1.0	-47.15	295.75	4.30	-42.85
CCCC(NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605088	0	36	-1.0	-49.15	307.84	4.18	-44.97
CCCC(NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605088	1	36	-1.0	-49.15	307.90	4.21	-44.94
CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004605089	0	38	-1.0	-48.33	320.42	5.91	-42.42
CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004605089	1	38	-1.0	-48.32	320.36	5.90	-42.42
CCCC(NC(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL250004605090	0	36	-1.0	-51.88	301.62	4.16	-47.72
CCCC(NC(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL250004605090	1	36	-1.0	-51.82	301.68	4.18	-47.64
CCCC(NC(=O)C1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004605091	0	37	-1.0	-48.67	317.82	4.09	-44.58
CCCC(NC(=O)C1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004605091	1	37	-1.0	-48.67	317.76	4.07	-44.60
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004605092	0	34	-1.0	-43.38	302.47	4.29	-39.09
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004605092	1	34	-1.0	-43.36	302.53	4.30	-39.06
CCCC(NC(=O)C1=C(C)C=CS1)C1=N[N-]N=N1	REAL250004605093	0	32	-1.0	-45.59	283.35	3.30	-42.29
CCCC(NC(=O)C1=C(C)C=CS1)C1=NN=N[N-]1	REAL250004605093	1	32	-1.0	-45.62	283.41	3.32	-42.30
CCCC(NC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL250004605094	0	32	-1.0	-45.99	288.24	3.42	-42.57
CCCC(NC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL250004605094	1	32	-1.0	-45.97	288.30	3.43	-42.54
CCCC(NC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004605095	0	32	-1.0	-46.70	291.03	4.12	-42.58
CCCC(NC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004605095	1	32	-1.0	-46.70	291.08	4.14	-42.56
CCCC(NC(=O)C=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004605096	0	33	-1.0	-46.70	291.46	3.02	-43.68
CCCC(NC(=O)C=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004605096	1	33	-1.0	-46.69	291.52	3.03	-43.66
CCCC(NC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL250004605097	0	36	-1.0	-46.98	303.70	2.94	-44.04
CCCC(NC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL250004605097	1	36	-1.0	-46.93	303.76	2.95	-43.98
CCCC(NC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004605098	0	32	-1.0	-51.77	278.85	3.69	-48.08
CCCC(NC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004605098	1	32	-1.0	-51.77	278.91	3.70	-48.07
CCCC(NC(=O)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004605099	0	33	-1.0	-49.63	281.27	-0.80	-50.43
CCCC(NC(=O)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004605099	1	33	-1.0	-49.63	281.32	-0.79	-50.42
CCCC(NC(=O)C1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL250004605100	0	38	-1.0	-46.78	317.18	5.05	-41.73
CCCC(NC(=O)C1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL250004605100	1	38	-1.0	-46.80	317.24	5.07	-41.73
CCCC(NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004605101	0	35	-1.0	-46.79	301.41	2.35	-44.44
CCCC(NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004605101	1	35	-1.0	-46.78	301.35	2.33	-44.45
CCCC(NC(=O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL250004605102	0	36	-1.0	-49.87	303.78	2.92	-46.95
CCCC(NC(=O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL250004605102	1	36	-1.0	-49.88	303.83	2.94	-46.94
CCCC(NC(=O)CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL250004605103	0	39	-1.0	-48.07	328.42	3.60	-44.47
CCCC(NC(=O)CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL250004605103	1	39	-1.0	-48.03	328.48	3.61	-44.42
CCCC(NC(=O)C1=CC=C[N+]([O-])=C1)C1=N[N-]N=N1	REAL250004605104	0	32	-1.0	-59.22	281.56	2.23	-56.99
CCCC(NC(=O)C1=CC=C[N+]([O-])=C1)C1=NN=N[N-]1	REAL250004605104	1	32	-1.0	-59.20	281.62	2.24	-56.96
CCCC(NC(=O)C1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL250004605105	0	38	-1.0	-46.43	311.76	4.97	-41.46
CCCC(NC(=O)C1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL250004605105	1	38	-1.0	-46.46	311.81	4.98	-41.48
CCCC(NC(=O)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004605106	0	35	-1.0	-47.61	300.32	2.30	-45.31
CCCC(NC(=O)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004605106	1	35	-1.0	-47.62	300.38	2.32	-45.30
CCCC(NC(=O)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004605107	0	31	-1.0	-42.65	286.20	2.28	-40.37
CCCC(NC(=O)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004605107	1	31	-1.0	-42.63	286.15	2.26	-40.37
CCCC(NC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004605108	0	33	-1.0	-45.29	295.11	4.02	-41.27
CCCC(NC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004605108	1	33	-1.0	-45.28	295.14	4.04	-41.24
CCCC(NC(=O)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605109	0	35	-1.0	-46.24	290.39	4.29	-41.95
CCCC(NC(=O)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605109	1	35	-1.0	-46.28	290.44	4.31	-41.97
CCCC(NC(=O)C1=CC=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL250004605110	0	40	-1.0	-48.67	326.78	4.06	-44.61
CCCC(NC(=O)C1=CC=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL250004605110	1	40	-1.0	-48.62	326.84	4.07	-44.55
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL250004605111	0	40	-1.0	-48.77	325.58	4.05	-44.72
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL250004605111	1	40	-1.0	-48.73	325.64	4.06	-44.67
CCCC(NC(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL250004605112	0	38	-1.0	-46.43	311.78	4.97	-41.46
CCCC(NC(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL250004605112	1	38	-1.0	-46.44	311.84	4.98	-41.46
CCCC(NC(=O)C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL250004605113	0	38	-1.0	-47.33	317.11	4.94	-42.39
CCCC(NC(=O)C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL250004605113	1	38	-1.0	-47.31	317.16	4.96	-42.35
CCCC(NC(=O)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004605114	0	35	-1.0	-45.40	315.65	4.82	-40.58
CCCC(NC(=O)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004605114	1	35	-1.0	-45.43	315.71	4.83	-40.60
CCCC(NC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL250004605115	0	41	-1.0	-45.36	324.61	4.69	-40.67
CCCC(NC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL250004605115	1	41	-1.0	-45.37	324.67	4.72	-40.65
CCCC(NC(=O)C1=CC=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004605116	0	31	-1.0	-45.65	288.43	2.34	-43.31
CCCC(NC(=O)C1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004605116	1	31	-1.0	-45.65	288.38	2.32	-43.33
CCCC(NC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004605117	0	32	-1.0	-44.09	280.70	3.69	-40.40
CCCC(NC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004605117	1	32	-1.0	-44.10	280.75	3.71	-40.39
CCCC(NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004605118	0	32	-1.0	-44.00	291.02	4.13	-39.87
CCCC(NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004605118	1	32	-1.0	-43.99	291.07	4.15	-39.84
CCCC(NC(=O)CC1=CC=CS1)C1=N[N-]N=N1	REAL250004605119	0	32	-1.0	-46.51	289.15	3.41	-43.10
CCCC(NC(=O)CC1=CC=CS1)C1=NN=N[N-]1	REAL250004605119	1	32	-1.0	-46.52	289.20	3.42	-43.10
CCCC(NC(=O)CC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004605120	0	37	-1.0	-49.59	316.05	3.07	-46.52
CCCC(NC(=O)CC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004605120	1	37	-1.0	-49.63	316.11	3.08	-46.55
CCCC(NC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004605121	0	32	-1.0	-42.07	286.98	3.74	-38.33
CCCC(NC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004605121	1	32	-1.0	-42.03	287.04	3.76	-38.27
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL250004605122	0	36	-1.0	-45.22	309.91	3.01	-42.21
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL250004605122	1	36	-1.0	-45.25	309.97	3.03	-42.22
CCCC(NC(=O)C1CCOCC1)C1=N[N-]N=N1	REAL250004605123	0	36	-1.0	-47.38	291.21	1.46	-45.92
CCCC(NC(=O)C1CCOCC1)C1=NN=N[N-]1	REAL250004605123	1	36	-1.0	-47.38	291.27	1.48	-45.90
CCCC(NC(=O)CCC1=CSC=C1)C1=N[N-]N=N1	REAL250004605124	0	35	-1.0	-44.31	310.30	4.03	-40.28
CCCC(NC(=O)CCC1=CSC=C1)C1=NN=N[N-]1	REAL250004605124	1	35	-1.0	-44.30	310.36	4.04	-40.26
CCCC(NC(=O)C=CC1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL250004605125	0	42	-1.0	-46.30	351.72	6.25	-40.05
CCCC(NC(=O)C=CC1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL250004605125	1	42	-1.0	-46.28	351.77	6.28	-40.00
CCCC(NC(=O)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004605126	0	39	-1.0	-55.47	329.01	5.31	-50.16
CCCC(NC(=O)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004605126	1	39	-1.0	-55.48	328.95	5.29	-50.19
CCCC(NC(=O)C1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL250004605127	0	35	-1.0	-45.83	305.56	4.15	-41.68
CCCC(NC(=O)C1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL250004605127	1	35	-1.0	-45.87	305.61	4.17	-41.70
CCCC(NC(=O)CCCCNC(N)=O)C1=N[N-]N=N1	REAL250004605128	0	40	-1.0	-54.50	335.63	-1.58	-56.08
CCCC(NC(=O)CCCCNC(N)=O)C1=NN=N[N-]1	REAL250004605128	1	40	-1.0	-54.55	335.69	-1.57	-56.12
CCCC(NC(=O)C1=CC=CC(COC)=C1)C1=N[N-]N=N1	REAL250004605129	0	39	-1.0	-49.57	329.36	3.33	-46.24
CCCC(NC(=O)C1=CC=CC(COC)=C1)C1=NN=N[N-]1	REAL250004605129	1	39	-1.0	-49.54	329.42	3.35	-46.19
CCCC(NC(=O)CCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004605130	0	38	-1.0	-44.37	326.73	5.17	-39.20
CCCC(NC(=O)CCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004605130	1	38	-1.0	-44.39	326.79	5.20	-39.19
CCCC(NC(=O)C1=CC=C(OC)C=C1F)C1=N[N-]N=N1	REAL250004605131	0	36	-1.0	-50.87	308.24	3.00	-47.87
CCCC(NC(=O)C1=CC=C(OC)C=C1F)C1=NN=N[N-]1	REAL250004605131	1	36	-1.0	-50.88	308.30	3.02	-47.86
CCCC(NC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004605132	0	29	-1.0	-46.85	265.64	2.54	-44.31
CCCC(NC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004605132	1	29	-1.0	-46.84	265.69	2.55	-44.29
CCCC(NC(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004605133	0	32	-1.0	-47.58	285.26	3.76	-43.82
CCCC(NC(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004605133	1	32	-1.0	-47.61	285.31	3.77	-43.84
CCCC(NC(=O)CCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004605134	0	37	-1.0	-46.72	315.15	3.32	-43.40
CCCC(NC(=O)CCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004605134	1	37	-1.0	-46.74	315.21	3.33	-43.41
CCCC(NC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004605135	0	41	-1.0	-43.37	336.31	1.05	-42.32
CCCC(NC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004605135	1	41	-1.0	-43.40	336.37	1.07	-42.33
CCCC(NC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004605136	0	36	-1.0	-46.07	308.10	3.57	-42.50
CCCC(NC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004605136	1	36	-1.0	-46.05	308.04	3.56	-42.49
CCCC(NC(=O)CN1CCCC1=O)C1=N[N-]N=N1	REAL250004605137	0	36	-1.0	-57.39	303.94	1.99	-55.40
CCCC(NC(=O)CN1CCCC1=O)C1=NN=N[N-]1	REAL250004605137	1	36	-1.0	-57.40	304.00	2.00	-55.40
CCCC(NC(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004605138	0	42	-1.0	-47.67	337.01	6.10	-41.57
CCCC(NC(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004605138	1	42	-1.0	-47.64	337.06	6.12	-41.52
CCCC(NC(=O)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605139	0	38	-1.0	-46.72	320.33	4.97	-41.75
CCCC(NC(=O)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605139	1	38	-1.0	-46.75	320.38	4.99	-41.76
CCCC(NC(=O)C1=C(CC)N=NS1)C1=N[N-]N=N1	REAL250004605140	0	33	-1.0	-41.02	296.01	1.54	-39.48
CCCC(NC(=O)C1=C(CC)N=NS1)C1=NN=N[N-]1	REAL250004605140	1	33	-1.0	-41.01	296.07	1.55	-39.46
CCCC(NC(=O)C1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004605141	0	35	-1.0	-51.65	304.81	4.10	-47.55
CCCC(NC(=O)C1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004605141	1	35	-1.0	-51.66	304.75	4.09	-47.57
CCCC(NC(=O)C1=CC=C(C)C(F)=C1)C1=N[N-]N=N1	REAL250004605142	0	35	-1.0	-47.43	300.99	4.32	-43.11
CCCC(NC(=O)C1=CC=C(C)C(F)=C1)C1=NN=N[N-]1	REAL250004605142	1	35	-1.0	-47.44	301.05	4.34	-43.10
CCCC(NC(=O)CN1CCSC1=O)C1=N[N-]N=N1	REAL250004605143	0	34	-1.0	-58.97	302.80	1.66	-57.31
CCCC(NC(=O)CN1CCSC1=O)C1=NN=N[N-]1	REAL250004605143	1	34	-1.0	-58.98	302.85	1.67	-57.31
CCCC(NC(=O)C1=CC2=C(CCC2)S1)C1=N[N-]N=N1	REAL250004605144	0	36	-1.0	-46.53	312.32	4.65	-41.88
CCCC(NC(=O)C1=CC2=C(CCC2)S1)C1=NN=N[N-]1	REAL250004605144	1	36	-1.0	-46.55	312.38	4.67	-41.88
CCCC(NC(=O)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004605145	0	36	-1.0	-47.28	312.87	2.12	-45.16
CCCC(NC(=O)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004605145	1	36	-1.0	-47.28	312.81	2.10	-45.18
CCCC(NC(=O)CCCC(C)=O)C1=N[N-]N=N1	REAL250004605146	0	36	-1.0	-54.53	305.00	2.78	-51.75
CCCC(NC(=O)CCCC(C)=O)C1=NN=N[N-]1	REAL250004605146	1	36	-1.0	-54.52	305.05	2.80	-51.72
CCCC(NC(=O)COC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004605147	0	35	-1.0	-48.86	307.67	1.14	-47.72
CCCC(NC(=O)COC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004605147	1	35	-1.0	-48.88	307.73	1.16	-47.72
CCCC(NC(=O)CN1C=CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004605148	0	35	-1.0	-59.33	307.82	0.16	-59.17
CCCC(NC(=O)CN1C=CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004605148	1	35	-1.0	-59.36	307.88	0.18	-59.18
CCCC(NC(=O)C1=CC=C(C)C(OC)=C1)C1=N[N-]N=N1	REAL250004605149	0	39	-1.0	-47.24	323.83	3.66	-43.58
CCCC(NC(=O)C1=CC=C(C)C(OC)=C1)C1=NN=N[N-]1	REAL250004605149	1	39	-1.0	-47.29	323.88	3.67	-43.62
CCCC(NC(=O)CC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL250004605150	0	38	-1.0	-50.28	319.53	1.85	-48.43
CCCC(NC(=O)CC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL250004605150	1	38	-1.0	-50.31	319.47	1.84	-48.47
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004605151	0	38	-1.0	-46.38	323.30	4.71	-41.67
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004605151	1	38	-1.0	-46.38	323.36	4.73	-41.65
CCCC(NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL250004605152	0	30	-1.0	-59.77	267.77	0.87	-58.90
CCCC(NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL250004605152	1	30	-1.0	-59.79	267.73	0.87	-58.92
CCCC(NC(=O)C1CCCN(C(C)=O)C1)C1=N[N-]N=N1	REAL250004605153	0	42	-1.0	-47.98	334.01	2.59	-45.39
CCCC(NC(=O)C1CCCN(C(C)=O)C1)C1=NN=N[N-]1	REAL250004605153	1	42	-1.0	-48.01	334.07	2.61	-45.40
CCCC(NC(=O)C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004605154	0	35	-1.0	-53.77	302.33	-0.79	-54.56
CCCC(NC(=O)C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004605154	1	35	-1.0	-53.76	302.39	-0.77	-54.53
CCCC(NC(=O)C1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004605155	0	31	-1.0	-41.84	274.96	1.64	-40.20
CCCC(NC(=O)C1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004605155	1	31	-1.0	-41.83	275.02	1.66	-40.17
CCCC(NC(=O)C1=CC=C(CC)S1)C1=N[N-]N=N1	REAL250004605156	0	35	-1.0	-45.55	309.76	4.21	-41.34
CCCC(NC(=O)C1=CC=C(CC)S1)C1=NN=N[N-]1	REAL250004605156	1	35	-1.0	-45.58	309.82	4.22	-41.36
CCCC(NC(=O)C1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004605157	0	37	-1.0	-49.63	313.55	4.50	-45.13
CCCC(NC(=O)C1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004605157	1	37	-1.0	-49.63	313.61	4.51	-45.12
CCCC(NC(=O)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004605158	0	34	-1.0	-41.93	297.63	2.43	-39.50
CCCC(NC(=O)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004605158	1	34	-1.0	-41.92	297.69	2.45	-39.47
CCCC(NC(=O)CCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004605159	0	38	-1.0	-54.14	325.66	1.75	-52.39
CCCC(NC(=O)CCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004605159	1	38	-1.0	-54.12	325.72	1.76	-52.36
CCCC(NC(=O)C1=CC=C(C(C)=O)S1)C1=N[N-]N=N1	REAL250004605160	0	34	-1.0	-45.44	310.98	3.23	-42.21
CCCC(NC(=O)C1=CC=C(C(C)=O)S1)C1=NN=N[N-]1	REAL250004605160	1	34	-1.0	-45.42	311.04	3.25	-42.17
CCCC(NC(=O)CCN1CCSC1=O)C1=N[N-]N=N1	REAL250004605161	0	37	-1.0	-48.12	323.82	2.04	-46.08
CCCC(NC(=O)CCN1CCSC1=O)C1=NN=N[N-]1	REAL250004605161	1	37	-1.0	-48.14	323.88	2.05	-46.09
CCCC(NC(=O)CN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL250004605162	0	37	-1.0	-56.35	321.70	1.22	-55.13
CCCC(NC(=O)CN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL250004605162	1	37	-1.0	-56.38	321.76	1.23	-55.15
CCCC(NC(=O)CCNC(N)=O)C1=N[N-]N=N1	REAL250004605163	0	34	-1.0	-54.83	292.64	-3.17	-58.00
CCCC(NC(=O)CCNC(N)=O)C1=NN=N[N-]1	REAL250004605163	1	34	-1.0	-54.86	292.70	-3.15	-58.01
CCCC(NC(=O)CN1CSCC1=O)C1=N[N-]N=N1	REAL250004605164	0	34	-1.0	-48.21	303.20	1.68	-46.53
CCCC(NC(=O)CN1CSCC1=O)C1=NN=N[N-]1	REAL250004605164	1	34	-1.0	-48.18	303.26	1.69	-46.49
CCCC(NC(=O)C1=CC(C)=C(CC)S1)C1=N[N-]N=N1	REAL250004605165	0	38	-1.0	-45.94	328.08	4.75	-41.19
CCCC(NC(=O)C1=CC(C)=C(CC)S1)C1=NN=N[N-]1	REAL250004605165	1	38	-1.0	-45.92	328.13	4.77	-41.15
CCCC(NC(=O)C1=C(C)N=NS1)C1=N[N-]N=N1	REAL250004605166	0	30	-1.0	-40.93	274.52	0.81	-40.12
CCCC(NC(=O)C1=C(C)N=NS1)C1=NN=N[N-]1	REAL250004605166	1	30	-1.0	-40.95	274.57	0.83	-40.12
CCCC(NC(=O)C=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004605167	0	36	-1.0	-49.74	312.51	2.67	-47.07
CCCC(NC(=O)C=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004605167	1	36	-1.0	-49.70	312.57	2.68	-47.02
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])N1C)C1=N[N-]N=N1	REAL250004605168	0	35	-1.0	-43.62	305.29	4.50	-39.12
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])N1C)C1=NN=N[N-]1	REAL250004605168	1	35	-1.0	-43.64	305.35	4.51	-39.13
CCCC(NC(=O)C1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004605169	0	31	-1.0	-44.87	286.41	2.29	-42.58
CCCC(NC(=O)C1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004605169	1	31	-1.0	-44.85	286.36	2.27	-42.58
CCCC(NC(=O)C1=CC=C(OC)N=C1)C1=NN=N[N-]1	REAL250004605170	0	35	-1.0	-44.29	301.46	0.37	-43.92
CCCC(NC(=O)C1=CC=C(OC)N=C1)C1=N[N-]N=N1	REAL250004605170	1	35	-1.0	-44.29	301.41	0.35	-43.94
CCCC(NC(=O)C1=CC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL250004605171	0	34	-1.0	-47.20	294.11	0.90	-46.30
CCCC(NC(=O)C1=CC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL250004605171	1	34	-1.0	-47.20	294.17	0.92	-46.28
CCCC(NC(=O)C1=CC=C(C)N1C)C1=N[N-]N=N1	REAL250004605172	0	36	-1.0	-46.40	298.78	3.51	-42.89
CCCC(NC(=O)C1=CC=C(C)N1C)C1=NN=N[N-]1	REAL250004605172	1	36	-1.0	-46.39	298.84	3.52	-42.87
CCCC(NC(=O)C1CCCN(C(N)=O)C1)C1=N[N-]N=N1	REAL250004605173	0	41	-1.0	-49.49	327.91	0.11	-49.38
CCCC(NC(=O)C1CCCN(C(N)=O)C1)C1=NN=N[N-]1	REAL250004605173	1	41	-1.0	-49.44	327.97	0.13	-49.31
CCCC(NC(=O)C1=NN(C)C(=O)CC1)C1=N[N-]N=N1	REAL250004605174	0	36	-1.0	-42.17	305.99	0.82	-41.35
CCCC(NC(=O)C1=NN(C)C(=O)CC1)C1=NN=N[N-]1	REAL250004605174	1	36	-1.0	-42.18	306.04	0.83	-41.35
CCCC(NC(=O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004605175	0	32	-1.0	-47.57	295.57	4.22	-43.35
CCCC(NC(=O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004605175	1	32	-1.0	-47.57	295.62	4.23	-43.34
CCCC(NC(=O)CCC1=CC=CO1)C1=N[N-]N=N1	REAL250004605176	0	35	-1.0	-45.97	301.07	3.22	-42.75
CCCC(NC(=O)CCC1=CC=CO1)C1=NN=N[N-]1	REAL250004605176	1	35	-1.0	-45.93	301.13	3.23	-42.70
CCCC(NC(=O)C1=CN2C(=N1)C=CC=C2C)C1=NN=N[N-]1	REAL250004605177	0	38	-1.0	-51.60	325.39	4.60	-47.00
CCCC(NC(=O)C1=CN2C(=N1)C=CC=C2C)C1=N[N-]N=N1	REAL250004605177	1	38	-1.0	-51.62	325.34	4.59	-47.03
CCCC(NC(=O)C1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004605178	0	32	-1.0	-47.43	295.57	4.21	-43.22
CCCC(NC(=O)C1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004605178	1	32	-1.0	-47.46	295.63	4.22	-43.24
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1)C1=N[N-]N=N1	REAL250004605179	0	38	-1.0	-47.76	320.17	4.13	-43.63
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1)C1=NN=N[N-]1	REAL250004605179	1	38	-1.0	-47.75	320.23	4.14	-43.61
CCCC(NC(=O)C1=CC(Cl)=CN1)C1=N[N-]N=N1	REAL250004605180	0	30	-1.0	-46.54	278.47	1.93	-44.61
CCCC(NC(=O)C1=CC(Cl)=CN1)C1=NN=N[N-]1	REAL250004605180	1	30	-1.0	-46.50	278.53	1.95	-44.55
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=N[N-]N=N1	REAL250004605181	0	32	-1.0	-49.46	291.59	2.15	-47.31
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=NN=N[N-]1	REAL250004605181	1	32	-1.0	-49.45	291.65	2.16	-47.29
CCCC(NC(=O)C1=C(C)OC(C)=C1C)C1=N[N-]N=N1	REAL250004605182	0	38	-1.0	-46.31	322.48	3.75	-42.56
CCCC(NC(=O)C1=C(C)OC(C)=C1C)C1=NN=N[N-]1	REAL250004605182	1	38	-1.0	-46.30	322.54	3.77	-42.53
CCCC(NC(=O)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605183	0	39	-1.0	-45.39	328.79	3.92	-41.47
CCCC(NC(=O)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605183	1	39	-1.0	-45.36	328.85	3.94	-41.42
CCCC(NC(=O)C1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL250004605184	0	38	-1.0	-46.49	307.21	4.84	-41.65
CCCC(NC(=O)C1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL250004605184	1	38	-1.0	-46.46	307.26	4.85	-41.61
CCCC(NC(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL250004605185	0	38	-1.0	-47.84	312.67	4.82	-43.02
CCCC(NC(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL250004605185	1	38	-1.0	-47.82	312.73	4.83	-42.99
CCCC(NC(=O)CC1CC2CCC1C2)C1=N[N-]N=N1	REAL250004605186	0	42	-1.0	-46.77	323.76	4.87	-41.90
CCCC(NC(=O)CC1CC2CCC1C2)C1=NN=N[N-]1	REAL250004605186	1	42	-1.0	-46.75	323.82	4.88	-41.87
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004605187	0	39	-1.0	-46.19	341.19	5.50	-40.69
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004605187	1	39	-1.0	-46.17	341.24	5.52	-40.65
CCCC(NC(=O)CCCC1CCCCC1)C1=N[N-]N=N1	REAL250004605188	0	47	-1.0	-45.35	362.61	6.05	-39.30
CCCC(NC(=O)CCCC1CCCCC1)C1=NN=N[N-]1	REAL250004605188	1	47	-1.0	-45.33	362.66	6.07	-39.26
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004605189	0	34	-1.0	-50.90	302.49	4.27	-46.63
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004605189	1	34	-1.0	-50.91	302.55	4.29	-46.62
CCCC(NC(=O)C1=C(C)N(CC)C(C)=C1)C1=N[N-]N=N1	REAL250004605190	0	42	-1.0	-49.96	341.28	5.07	-44.89
CCCC(NC(=O)C1=C(C)N(CC)C(C)=C1)C1=NN=N[N-]1	REAL250004605190	1	42	-1.0	-49.97	341.34	5.08	-44.89
CCCC(NC(=O)CCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605191	0	41	-1.0	-45.21	341.73	5.77	-39.44
CCCC(NC(=O)CCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605191	1	41	-1.0	-45.17	341.78	5.78	-39.39
CCCC(NC(=O)C1C(C=C(C)C)C1(C)C)C1=N[N-]N=N1	REAL250004605192	0	45	-1.0	-45.73	363.22	5.78	-39.95
CCCC(NC(=O)C1C(C=C(C)C)C1(C)C)C1=NN=N[N-]1	REAL250004605192	1	45	-1.0	-45.71	363.28	5.80	-39.91
CCCC(NC(=O)C1=CC=C(COC)O1)C1=N[N-]N=N1	REAL250004605193	0	36	-1.0	-46.87	314.10	1.52	-45.35
CCCC(NC(=O)C1=CC=C(COC)O1)C1=NN=N[N-]1	REAL250004605193	1	36	-1.0	-46.86	314.16	1.54	-45.32
CCCC(NC(=O)C1=CC(Cl)=CN1C)C1=N[N-]N=N1	REAL250004605194	0	33	-1.0	-43.57	296.53	3.59	-39.98
CCCC(NC(=O)C1=CC(Cl)=CN1C)C1=NN=N[N-]1	REAL250004605194	1	33	-1.0	-43.54	296.59	3.60	-39.94
CCCC(NC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004605195	0	32	-1.0	-42.39	287.12	3.75	-38.64
CCCC(NC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004605195	1	32	-1.0	-42.39	287.18	3.76	-38.63
CCCC(NC(=O)C1=CN2C=CC(C)=CC2=N1)C1=N[N-]N=N1	REAL250004605196	0	38	-1.0	-51.19	326.18	4.74	-46.45
CCCC(NC(=O)C1=CN2C=CC(C)=CC2=N1)C1=NN=N[N-]1	REAL250004605196	1	38	-1.0	-51.13	326.24	4.76	-46.37
CCCC(NC(=O)C1=CC(C(C)=O)=CN1)C1=N[N-]N=N1	REAL250004605197	0	35	-1.0	-57.41	304.35	1.86	-55.55
CCCC(NC(=O)C1=CC(C(C)=O)=CN1)C1=NN=N[N-]1	REAL250004605197	1	35	-1.0	-57.43	304.41	1.87	-55.56
CCCC(NC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL250004605198	0	38	-1.0	-45.26	302.11	3.93	-41.33
CCCC(NC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL250004605198	1	38	-1.0	-45.29	302.16	3.94	-41.35
CCCC(NC(=O)C1=C(C)OC(C)=C1)C1=N[N-]N=N1	REAL250004605199	0	35	-1.0	-45.70	297.87	3.22	-42.48
CCCC(NC(=O)C1=C(C)OC(C)=C1)C1=NN=N[N-]1	REAL250004605199	1	35	-1.0	-45.71	297.93	3.24	-42.47
CCCC(NC(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL250004605200	0	38	-1.0	-49.80	322.60	2.37	-47.43
CCCC(NC(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL250004605200	1	38	-1.0	-49.75	322.65	2.39	-47.36
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN1C)C1=N[N-]N=N1	REAL250004605201	0	35	-1.0	-44.48	309.68	3.81	-40.67
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN1C)C1=NN=N[N-]1	REAL250004605201	1	35	-1.0	-44.44	309.74	3.82	-40.62
CCCC(NC(=O)CNC(=O)OCC)C1=N[N-]N=N1	REAL250004605202	0	36	-1.0	-43.75	310.27	-0.66	-44.41
CCCC(NC(=O)CNC(=O)OCC)C1=NN=N[N-]1	REAL250004605202	1	36	-1.0	-43.74	310.33	-0.64	-44.38
CCCC(NC(=O)C=CC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004605203	0	37	-1.0	-54.42	327.62	5.04	-49.38
CCCC(NC(=O)C=CC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004605203	1	37	-1.0	-54.46	327.68	5.06	-49.40
CCCC(NC(=O)C1=CC=C(CC)O1)C1=N[N-]N=N1	REAL250004605204	0	35	-1.0	-45.51	301.92	3.24	-42.27
CCCC(NC(=O)C1=CC=C(CC)O1)C1=NN=N[N-]1	REAL250004605204	1	35	-1.0	-45.51	301.98	3.26	-42.25
CCCC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004605205	0	37	-1.0	-48.37	310.16	3.99	-44.38
CCCC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004605205	1	37	-1.0	-48.37	310.10	3.97	-44.40
CCCC(NC(=O)C1=CC=C(Cl)O1)C1=N[N-]N=N1	REAL250004605206	0	29	-1.0	-41.86	275.58	2.25	-39.61
CCCC(NC(=O)C1=CC=C(Cl)O1)C1=NN=N[N-]1	REAL250004605206	1	29	-1.0	-41.86	275.63	2.27	-39.59
CCCC(NC(=O)C1=CC=CN=C1OCC)C1=NN=N[N-]1	REAL250004605207	0	38	-1.0	-52.15	321.23	2.52	-49.63
CCCC(NC(=O)C1=CC=CN=C1OCC)C1=N[N-]N=N1	REAL250004605207	1	38	-1.0	-52.11	321.17	2.50	-49.61
CCCC(NC(=O)C1=CC(F)=CC=C1OC)C1=N[N-]N=N1	REAL250004605208	0	36	-1.0	-48.90	308.02	4.23	-44.67
CCCC(NC(=O)C1=CC(F)=CC=C1OC)C1=NN=N[N-]1	REAL250004605208	1	36	-1.0	-48.93	308.08	4.25	-44.68
CCCC(NC(=O)CCNC(=O)OCC)C1=N[N-]N=N1	REAL250004605209	0	39	-1.0	-51.09	332.41	-0.05	-51.14
CCCC(NC(=O)CCNC(=O)OCC)C1=NN=N[N-]1	REAL250004605209	1	39	-1.0	-51.06	332.46	-0.03	-51.09
CCCC(NC(=O)C(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605210	0	36	-1.0	-42.17	311.47	1.87	-40.30
CCCC(NC(=O)C(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605210	1	36	-1.0	-42.18	311.53	1.88	-40.30
CCCC(NC(=O)C1CC2CCC1C2)C1=N[N-]N=N1	REAL250004605211	0	39	-1.0	-45.62	304.74	4.15	-41.47
CCCC(NC(=O)C1CC2CCC1C2)C1=NN=N[N-]1	REAL250004605211	1	39	-1.0	-45.57	304.79	4.18	-41.39
CCCC(NC(=O)C(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605212	0	37	-1.0	-42.31	316.51	4.14	-38.17
CCCC(NC(=O)C(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605212	1	37	-1.0	-42.32	316.57	4.16	-38.16
CCCC1=NNC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL250004605213	0	38	-1.0	-43.48	320.99	2.19	-41.29
CCCC1=NNC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL250004605213	1	38	-1.0	-43.47	321.05	2.20	-41.27
CCCC(NC(=O)C(CC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605214	0	41	-1.0	-46.76	336.48	5.44	-41.32
CCCC(NC(=O)C(CC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605214	1	41	-1.0	-46.72	336.53	5.45	-41.27
CCCC(NC(=O)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004605215	0	34	-1.0	-47.15	293.79	2.53	-44.62
CCCC(NC(=O)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004605215	1	34	-1.0	-47.16	293.85	2.54	-44.62
CCCC(NC(=O)C1=CC2=C(N1)SC=C2)C1=NN=N[N-]1	REAL250004605216	0	33	-1.0	-45.37	298.46	2.67	-42.70
CCCC(NC(=O)C1=CC2=C(N1)SC=C2)C1=N[N-]N=N1	REAL250004605216	1	33	-1.0	-45.34	298.40	2.66	-42.68
CCCC(NC(=O)CCN1N=C(C)C=C1C)C1=N[N-]N=N1	REAL250004605217	0	41	-1.0	-44.39	342.99	3.33	-41.06
CCCC(NC(=O)CCN1N=C(C)C=C1C)C1=NN=N[N-]1	REAL250004605217	1	41	-1.0	-44.41	343.05	3.34	-41.07
CCCC(NC(=O)C1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL250004605218	0	34	-1.0	-45.56	290.89	2.46	-43.10
CCCC(NC(=O)C1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL250004605218	1	34	-1.0	-45.61	290.94	2.47	-43.14
CCCC(NC(=O)CCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004605219	0	44	-1.0	-53.93	358.45	1.67	-52.26
CCCC(NC(=O)CCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004605219	1	44	-1.0	-53.91	358.50	1.69	-52.22
CCCC(NC(=O)C1=CC(C(C)=O)=CN1C)C1=N[N-]N=N1	REAL250004605220	0	38	-1.0	-51.86	322.58	3.48	-48.38
CCCC(NC(=O)C1=CC(C(C)=O)=CN1C)C1=NN=N[N-]1	REAL250004605220	1	38	-1.0	-51.86	322.63	3.50	-48.36
CCCC(NC(=O)C1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004605221	0	35	-1.0	-44.63	306.58	3.29	-41.34
CCCC(NC(=O)C1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004605221	1	35	-1.0	-44.60	306.63	3.31	-41.29
CCCC(NC(=O)CCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL250004605222	0	36	-1.0	-44.54	311.89	0.70	-43.84
CCCC(NC(=O)CCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL250004605222	1	36	-1.0	-44.51	311.95	0.71	-43.80
CCCC(NC(=O)C1=CC(C)=C(C)S1)C1=N[N-]N=N1	REAL250004605223	0	35	-1.0	-46.33	306.53	3.96	-42.37
CCCC(NC(=O)C1=CC(C)=C(C)S1)C1=NN=N[N-]1	REAL250004605223	1	35	-1.0	-46.32	306.59	3.98	-42.34
CCCC(NC(=O)C1=CC=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004605224	0	35	-1.0	-62.18	301.02	2.43	-59.75
CCCC(NC(=O)C1=CC=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004605224	1	35	-1.0	-62.19	300.96	2.41	-59.78
CCCC(NC(=O)C1=CC=NC2=NC=NN21)C1=NN=N[N-]1	REAL250004605225	0	33	-1.0	-48.29	289.34	4.93	-43.36
CCCC(NC(=O)C1=CC=NC2=NC=NN21)C1=N[N-]N=N1	REAL250004605225	1	33	-1.0	-48.29	289.28	4.91	-43.38
CCCC(NC(=O)C1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004605226	0	35	-1.0	-47.27	294.86	1.85	-45.42
CCCC(NC(=O)C1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004605226	1	35	-1.0	-47.32	294.92	1.86	-45.46
CCCC(NC(=O)C1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004605227	0	29	-1.0	-41.46	282.43	3.10	-38.36
CCCC(NC(=O)C1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004605227	1	29	-1.0	-41.44	282.49	3.12	-38.32
CCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004605228	0	44	-1.0	-42.23	355.87	1.90	-40.33
CCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004605228	1	44	-1.0	-42.27	355.93	1.91	-40.36
CCCC(NC(=O)C1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL250004605229	0	34	-1.0	-45.25	300.41	2.11	-43.14
CCCC(NC(=O)C1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL250004605229	1	34	-1.0	-45.27	300.47	2.12	-43.15
CCCC(NC(=O)CC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL250004605230	0	41	-1.0	-52.10	339.78	3.03	-49.07
CCCC(NC(=O)CC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL250004605230	1	41	-1.0	-52.10	339.84	3.05	-49.05
CCCC(NC(=O)CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004605231	0	34	-1.0	-46.57	296.12	3.72	-42.85
CCCC(NC(=O)CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004605231	1	34	-1.0	-46.58	296.06	3.71	-42.87
CCCC(NC(=O)CNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004605232	0	36	-1.0	-43.87	308.40	0.59	-43.28
CCCC(NC(=O)CNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004605232	1	36	-1.0	-43.85	308.45	0.60	-43.25
CCCC(NC(=O)C1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605233	0	42	-1.0	-45.56	334.32	6.02	-39.54
CCCC(NC(=O)C1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605233	1	42	-1.0	-45.53	334.38	6.04	-39.49
CCCC(NC(=O)C1=CC=CN=C1OC)C1=NN=N[N-]1	REAL250004605234	0	35	-1.0	-51.74	299.38	1.60	-50.14
CCCC(NC(=O)C1=CC=CN=C1OC)C1=N[N-]N=N1	REAL250004605234	1	35	-1.0	-51.71	299.32	1.59	-50.12
CCCCSCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605235	0	38	-1.0	-46.53	326.43	4.21	-42.32
CCCCSCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605235	1	38	-1.0	-46.54	326.49	4.23	-42.31
CCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605236	0	46	-1.0	-45.11	367.90	5.98	-39.13
CCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605236	1	46	-1.0	-45.09	367.96	6.00	-39.09
CCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605237	0	43	-1.0	-45.04	346.40	5.20	-39.84
CCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605237	1	43	-1.0	-45.06	346.46	5.22	-39.84
CCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605238	0	49	-1.0	-45.08	389.40	6.77	-38.31
CCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605238	1	49	-1.0	-45.07	389.46	6.78	-38.29
CCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605239	0	40	-1.0	-45.08	324.90	4.42	-40.66
CCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605239	1	40	-1.0	-45.08	324.96	4.44	-40.64
CCCC(NC(=O)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004605240	0	35	-1.0	-46.22	301.37	2.29	-43.93
CCCC(NC(=O)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004605240	1	35	-1.0	-46.21	301.32	2.27	-43.94
CCCC(NC(=O)C1=CC=CNC1=O)C1=N[N-]N=N1	REAL250004605241	0	32	-1.0	-58.70	276.41	0.85	-57.85
CCCC(NC(=O)C1=CC=CNC1=O)C1=NN=N[N-]1	REAL250004605241	1	32	-1.0	-58.69	276.46	0.87	-57.82
CCCC(NC(=O)CCCCCNC(C)=O)C1=N[N-]N=N1	REAL250004605242	0	44	-1.0	-50.53	364.21	1.99	-48.54
CCCC(NC(=O)CCCCCNC(C)=O)C1=NN=N[N-]1	REAL250004605242	1	44	-1.0	-50.54	364.27	2.00	-48.54
CCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004605243	0	40	-1.0	-48.52	328.05	2.79	-45.73
CCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004605243	1	40	-1.0	-48.49	328.11	2.81	-45.68
CCCC(NC(=O)CSC(C)C)C1=N[N-]N=N1	REAL250004605244	0	35	-1.0	-46.59	301.71	3.26	-43.33
CCCC(NC(=O)CSC(C)C)C1=NN=N[N-]1	REAL250004605244	1	35	-1.0	-46.64	301.77	3.28	-43.36
CCCC(NC(=O)C1=C2N=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004605245	0	34	-1.0	-59.03	298.65	2.55	-56.48
CCCC(NC(=O)C1=C2N=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004605245	1	34	-1.0	-59.01	298.59	2.53	-56.48
CCCC(NC(=O)C1=CC=CC(C)=N1)C1=N[N-]N=N1	REAL250004605246	0	34	-1.0	-47.90	293.12	2.51	-45.39
CCCC(NC(=O)C1=CC=CC(C)=N1)C1=NN=N[N-]1	REAL250004605246	1	34	-1.0	-47.93	293.17	2.52	-45.41
CCCC(NC(=O)C1=CC=CC2=NNC=C21)C1=NN=N[N-]1	REAL250004605247	0	35	-1.0	-47.30	299.27	2.30	-45.00
CCCC(NC(=O)C1=CC=CC2=NNC=C21)C1=N[N-]N=N1	REAL250004605247	1	35	-1.0	-47.32	299.21	2.28	-45.04
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL250004605248	0	39	-1.0	-46.07	329.47	4.25	-41.82
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL250004605248	1	39	-1.0	-46.07	329.41	4.23	-41.84
CCCC(NC(=O)C1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004605249	0	33	-1.0	-49.99	283.14	2.15	-47.84
CCCC(NC(=O)C1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004605249	1	33	-1.0	-50.03	283.20	2.16	-47.87
CCCC(NC(=O)C1=CC(Cl)=CC=C1O)C1=N[N-]N=N1	REAL250004605250	0	33	-1.0	-46.78	299.86	2.67	-44.11
CCCC(NC(=O)C1=CC(Cl)=CC=C1O)C1=NN=N[N-]1	REAL250004605250	1	33	-1.0	-46.79	299.92	2.68	-44.11
CCCC(NC(=O)CCNC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605251	0	40	-1.0	-46.41	333.94	3.22	-43.19
CCCC(NC(=O)CCNC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605251	1	40	-1.0	-46.43	334.00	3.23	-43.20
CCCC(NC(=O)C1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004605252	0	35	-1.0	-50.33	300.41	2.36	-47.97
CCCC(NC(=O)C1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004605252	1	35	-1.0	-50.32	300.36	2.34	-47.98
CCCC(NC(=O)C1=CC=CC(C)=C1O)C1=N[N-]N=N1	REAL250004605253	0	36	-1.0	-48.30	303.22	2.86	-45.44
CCCC(NC(=O)C1=CC=CC(C)=C1O)C1=NN=N[N-]1	REAL250004605253	1	36	-1.0	-48.34	303.27	2.88	-45.46
CCCC(NC(=O)C1=CC=CC(OC)=C1O)C1=N[N-]N=N1	REAL250004605254	0	37	-1.0	-50.68	312.34	1.91	-48.77
CCCC(NC(=O)C1=CC=CC(OC)=C1O)C1=NN=N[N-]1	REAL250004605254	1	37	-1.0	-50.66	312.39	1.92	-48.74
CCCC(NC(=O)C1=CC=C(OC)C=C1O)C1=N[N-]N=N1	REAL250004605255	0	37	-1.0	-49.82	312.51	1.47	-48.35
CCCC(NC(=O)C1=CC=C(OC)C=C1O)C1=NN=N[N-]1	REAL250004605255	1	37	-1.0	-49.82	312.57	1.48	-48.34
CCCC(NC(=O)C1=CC=C(Cl)C=C1O)C1=N[N-]N=N1	REAL250004605256	0	33	-1.0	-46.70	299.85	2.67	-44.03
CCCC(NC(=O)C1=CC=C(Cl)C=C1O)C1=NN=N[N-]1	REAL250004605256	1	33	-1.0	-46.66	299.90	2.68	-43.98
CCCC(NC(=O)CC1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004605258	0	38	-1.0	-61.56	325.03	4.90	-56.66
CCCC(NC(=O)CC1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004605258	1	38	-1.0	-61.52	325.09	4.92	-56.60
CCCC(NC(=O)C1=CC(C2CC2)=NN1)C1=N[N-]N=N1	REAL250004605259	0	36	-1.0	-43.90	307.96	2.18	-41.72
CCCC(NC(=O)C1=CC(C2CC2)=NN1)C1=NN=N[N-]1	REAL250004605259	1	36	-1.0	-43.93	308.02	2.19	-41.74
CCCC(NC(=O)C1=CC(C)=CC=C1O)C1=N[N-]N=N1	REAL250004605260	0	36	-1.0	-47.89	304.53	2.83	-45.06
CCCC(NC(=O)C1=CC(C)=CC=C1O)C1=NN=N[N-]1	REAL250004605260	1	36	-1.0	-47.92	304.59	2.85	-45.07
CCCC(NC(=O)C1=CC(OC)=CC=C1O)C1=N[N-]N=N1	REAL250004605261	0	37	-1.0	-49.54	312.59	1.43	-48.11
CCCC(NC(=O)C1=CC(OC)=CC=C1O)C1=NN=N[N-]1	REAL250004605261	1	37	-1.0	-49.62	312.65	1.45	-48.17
CCCC(NC(=O)C1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL250004605262	0	36	-1.0	-49.23	305.36	1.51	-47.72
CCCC(NC(=O)C1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL250004605262	1	36	-1.0	-49.20	305.42	1.53	-47.67
CCCC(NC(=O)CCOCC(F)(F)F)C1=N[N-]N=N1	REAL250004605263	0	35	-1.0	-43.34	314.01	1.81	-41.53
CCCC(NC(=O)CCOCC(F)(F)F)C1=NN=N[N-]1	REAL250004605263	1	35	-1.0	-43.34	314.07	1.83	-41.51
CCCC(NC(=O)C1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004605264	0	39	-1.0	-49.14	317.02	1.83	-47.31
CCCC(NC(=O)C1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004605264	1	39	-1.0	-49.13	317.08	1.84	-47.29
CCCC(NC(=O)C1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL250004605265	0	35	-1.0	-55.90	299.46	2.41	-53.49
CCCC(NC(=O)C1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL250004605265	1	35	-1.0	-55.93	299.52	2.43	-53.50
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004605266	0	36	-1.0	-58.56	308.80	0.42	-58.14
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004605266	1	36	-1.0	-58.57	308.86	0.43	-58.14
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004605267	0	34	-1.0	-54.33	309.36	2.47	-51.86
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004605267	1	34	-1.0	-54.34	309.32	2.45	-51.89
CCCC(NC(=O)C1CC(=O)N(CC)C1)C1=N[N-]N=N1	REAL250004605268	0	39	-1.0	-44.56	323.33	2.20	-42.36
CCCC(NC(=O)C1CC(=O)N(CC)C1)C1=NN=N[N-]1	REAL250004605268	1	39	-1.0	-44.63	323.39	2.21	-42.42
CCCC(NC(=O)C1=NNC2=C1CCCC2)C1=N[N-]N=N1	REAL250004605269	0	39	-1.0	-49.77	318.45	2.47	-47.30
CCCC(NC(=O)C1=NNC2=C1CCCC2)C1=NN=N[N-]1	REAL250004605269	1	39	-1.0	-49.75	318.51	2.48	-47.27
CCCC(NC(=O)CSCC#N)C1=N[N-]N=N1	REAL250004605270	0	30	-1.0	-52.17	282.80	2.37	-49.80
CCCC(NC(=O)CSCC#N)C1=NN=N[N-]1	REAL250004605270	1	30	-1.0	-52.14	282.86	2.39	-49.75
CCCC(NC(=O)CCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605271	0	34	-1.0	-50.58	302.55	-1.13	-51.71
CCCC(NC(=O)CCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605271	1	34	-1.0	-50.63	302.61	-1.12	-51.75
CCCC(NC(=O)C=CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004605272	0	36	-1.0	-46.54	311.27	2.44	-44.10
CCCC(NC(=O)C=CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004605272	1	36	-1.0	-46.56	311.33	2.46	-44.10
CCCC(NC(=O)C1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004605273	0	37	-1.0	-47.20	310.19	3.47	-43.73
CCCC(NC(=O)C1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004605273	1	37	-1.0	-47.22	310.25	3.49	-43.73
CCCC(NC(=O)C1=CN(C)C(=O)NC1=O)C1=N[N-]N=N1	REAL250004605274	0	35	-1.0	-47.56	301.83	-0.01	-47.57
CCCC(NC(=O)C1=CN(C)C(=O)NC1=O)C1=NN=N[N-]1	REAL250004605274	1	35	-1.0	-47.56	301.89	-0.01	-47.57
CCCC(NC(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004605275	0	35	-1.0	-47.10	297.69	2.23	-44.87
CCCC(NC(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004605275	1	35	-1.0	-47.08	297.63	2.21	-44.87
CCCC(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004605276	0	31	-1.0	-56.01	273.94	3.18	-52.83
CCCC(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004605276	1	31	-1.0	-55.97	273.88	3.17	-52.80
CCCC(NC(=O)CSC(F)(F)F)C1=N[N-]N=N1	REAL250004605277	0	29	-1.0	-42.88	281.70	2.34	-40.54
CCCC(NC(=O)CSC(F)(F)F)C1=NN=N[N-]1	REAL250004605277	1	29	-1.0	-42.88	281.76	2.36	-40.52
CCCC(NC(=O)CN(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004605278	0	36	-1.0	-64.88	316.66	-1.22	-66.10
CCCC(NC(=O)CN(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004605278	1	36	-1.0	-64.86	316.72	-1.20	-66.06
CCCC(NC(=O)CCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004605279	0	38	-1.0	-58.21	324.12	3.37	-54.84
CCCC(NC(=O)CCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004605279	1	38	-1.0	-58.22	324.18	3.38	-54.84
CCCC(NC(=O)CCOC(C)C)C1=N[N-]N=N1	REAL250004605280	0	38	-1.0	-43.91	314.71	2.10	-41.81
CCCC(NC(=O)CCOC(C)C)C1=NN=N[N-]1	REAL250004605280	1	38	-1.0	-43.88	314.77	2.11	-41.77
CCCC(NC(=O)CN1C=CC=NC1=O)C1=N[N-]N=N1	REAL250004605281	0	34	-1.0	-54.93	298.03	0.76	-54.17
CCCC(NC(=O)CN1C=CC=NC1=O)C1=NN=N[N-]1	REAL250004605281	1	34	-1.0	-54.95	298.09	0.79	-54.16
CCCC(NC(=O)C1=CC(CC)=NN1)C1=N[N-]N=N1	REAL250004605282	0	35	-1.0	-43.65	299.49	1.41	-42.24
CCCC(NC(=O)C1=CC(CC)=NN1)C1=NN=N[N-]1	REAL250004605282	1	35	-1.0	-43.64	299.55	1.43	-42.21
CCCC(NC(=O)C1COCCO1)C1=N[N-]N=N1	REAL250004605283	0	34	-1.0	-47.49	283.87	0.69	-46.80
CCCC(NC(=O)C1COCCO1)C1=NN=N[N-]1	REAL250004605283	1	34	-1.0	-47.50	283.93	0.70	-46.80
CCCCCCOCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605284	0	44	-1.0	-48.01	359.48	4.78	-43.23
CCCCCCOCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605284	1	44	-1.0	-47.98	359.53	4.80	-43.18
CCCC(NC(=O)CCCNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004605285	0	42	-1.0	-48.18	352.02	2.01	-46.17
CCCC(NC(=O)CCCNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004605285	1	42	-1.0	-48.17	352.08	2.03	-46.14
CCCC(NC(=O)CCC1CCCO1)C1=N[N-]N=N1	REAL250004605286	0	39	-1.0	-44.68	316.82	2.41	-42.27
CCCC(NC(=O)CCC1CCCO1)C1=NN=N[N-]1	REAL250004605286	1	39	-1.0	-44.69	316.88	2.43	-42.26
CCCC(NC(=O)C1=CC=C(N(C)C)N=C1)C1=N[N-]N=N1	REAL250004605287	0	39	-1.0	-47.59	323.37	3.35	-44.24
CCCC(NC(=O)C1=CC=C(N(C)C)N=C1)C1=NN=N[N-]1	REAL250004605287	1	39	-1.0	-47.58	323.43	3.37	-44.21
CCCC(NC(=O)CSCCOC)C1=N[N-]N=N1	REAL250004605288	0	36	-1.0	-46.10	317.11	1.71	-44.39
CCCC(NC(=O)CSCCOC)C1=NN=N[N-]1	REAL250004605288	1	36	-1.0	-46.07	317.17	1.72	-44.35
CCCC(NC(=O)CN1CCCCC1=O)C1=N[N-]N=N1	REAL250004605289	0	39	-1.0	-56.45	319.40	2.62	-53.83
CCCC(NC(=O)CN1CCCCC1=O)C1=NN=N[N-]1	REAL250004605289	1	39	-1.0	-56.43	319.46	2.63	-53.80
CCCC(NC(=O)CN1CCCNC1=O)C1=N[N-]N=N1	REAL250004605290	0	38	-1.0	-50.98	314.16	0.50	-50.48
CCCC(NC(=O)CN1CCCNC1=O)C1=NN=N[N-]1	REAL250004605290	1	38	-1.0	-50.98	314.22	0.52	-50.46
CCCC(NC(=O)CN(C)C(C)=O)C1=N[N-]N=N1	REAL250004605291	0	35	-1.0	-56.92	295.89	1.33	-55.59
CCCC(NC(=O)CN(C)C(C)=O)C1=NN=N[N-]1	REAL250004605291	1	35	-1.0	-56.91	295.95	1.34	-55.57
CCCC(NC(=O)C1CC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004605292	0	36	-1.0	-48.29	301.48	1.17	-47.12
CCCC(NC(=O)C1CC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004605292	1	36	-1.0	-48.30	301.54	1.19	-47.11
CCCC(NC(=O)C1=CC=C(C#N)C(C)=N1)C1=N[N-]N=N1	REAL250004605293	0	35	-1.0	-43.41	311.72	2.76	-40.65
CCCC(NC(=O)C1=CC=C(C#N)C(C)=N1)C1=NN=N[N-]1	REAL250004605293	1	35	-1.0	-43.37	311.78	2.78	-40.59
CCCC(NC(=O)C1=CSN=N1)C1=NN=N[N-]1	REAL250004605294	0	27	-1.0	-44.11	256.34	0.00	-44.11
CCCC(NC(=O)C1=CSN=N1)C1=N[N-]N=N1	REAL250004605294	1	27	-1.0	-44.07	256.28	-0.02	-44.09
CCCC(NC(=O)C1=CC=NC(OC)=C1)C1=NN=N[N-]1	REAL250004605295	0	35	-1.0	-46.90	301.74	0.36	-46.54
CCCC(NC(=O)C1=CC=NC(OC)=C1)C1=N[N-]N=N1	REAL250004605295	1	35	-1.0	-46.93	301.68	0.35	-46.58
CCCCC(CC)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605296	0	43	-1.0	-45.38	335.41	4.68	-40.70
CCCCC(CC)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605296	1	43	-1.0	-45.36	335.47	4.69	-40.67
CCCC(NC(=O)CN(C)C(=O)OC)C1=N[N-]N=N1	REAL250004605297	0	36	-1.0	-55.09	309.42	1.30	-53.79
CCCC(NC(=O)CN(C)C(=O)OC)C1=NN=N[N-]1	REAL250004605297	1	36	-1.0	-55.11	309.48	1.32	-53.79
CCCC(NC(=O)CCCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL250004605298	0	39	-1.0	-51.68	333.39	1.48	-50.20
CCCC(NC(=O)CCCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL250004605298	1	39	-1.0	-51.66	333.45	1.50	-50.16
CCCC(NC(=O)C(C)NC(=O)CC)C1=N[N-]N=N1	REAL250004605299	0	38	-1.0	-42.66	317.45	0.65	-42.01
CCCC(NC(=O)C(C)NC(=O)CC)C1=NN=N[N-]1	REAL250004605299	1	38	-1.0	-42.64	317.50	0.67	-41.97
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL250004605300	0	37	-1.0	-50.16	317.02	4.12	-46.04
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL250004605300	1	37	-1.0	-50.11	317.08	4.14	-45.97
CCCC(NC(=O)C1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL250004605301	0	32	-1.0	-74.37	278.57	3.78	-70.59
CCCC(NC(=O)C1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL250004605301	1	32	-1.0	-74.36	278.63	3.80	-70.56
CCCC(NC(=O)C1=C(C)N=CS1)C1=N[N-]N=N1	REAL250004605302	0	31	-1.0	-45.09	278.46	1.40	-43.69
CCCC(NC(=O)C1=C(C)N=CS1)C1=NN=N[N-]1	REAL250004605302	1	31	-1.0	-45.08	278.52	1.41	-43.67
CCCC(NC(=O)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605303	0	41	-1.0	-47.25	341.81	5.88	-41.37
CCCC(NC(=O)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605303	1	41	-1.0	-47.26	341.87	5.90	-41.36
CCCC(NC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004605304	0	36	-1.0	-53.50	303.45	3.65	-49.85
CCCC(NC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004605304	1	36	-1.0	-53.48	303.39	3.63	-49.85
CCCC(NC(=O)CCCOCC)C1=N[N-]N=N1	REAL250004605305	0	38	-1.0	-47.66	315.93	2.12	-45.54
CCCC(NC(=O)CCCOCC)C1=NN=N[N-]1	REAL250004605305	1	38	-1.0	-47.64	315.99	2.13	-45.51
CCCC(NC(=O)CCOCC1CCCO1)C1=N[N-]N=N1	REAL250004605306	0	43	-1.0	-45.77	351.52	1.80	-43.97
CCCC(NC(=O)CCOCC1CCCO1)C1=NN=N[N-]1	REAL250004605306	1	43	-1.0	-45.81	351.57	1.82	-43.99
CCCC(NC(=O)COCC1CC1)C1=N[N-]N=N1	REAL250004605307	0	36	-1.0	-48.54	305.16	3.22	-45.32
CCCC(NC(=O)COCC1CC1)C1=NN=N[N-]1	REAL250004605307	1	36	-1.0	-48.57	305.21	3.24	-45.33
CCCC(NC(=O)CC1CCCO1)C1=N[N-]N=N1	REAL250004605308	0	36	-1.0	-49.02	295.01	2.32	-46.70
CCCC(NC(=O)CC1CCCO1)C1=NN=N[N-]1	REAL250004605308	1	36	-1.0	-48.97	295.07	2.34	-46.63
CCCC(NC(=O)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004605309	0	34	-1.0	-61.22	297.56	-0.88	-62.10
CCCC(NC(=O)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004605309	1	34	-1.0	-61.21	297.62	-0.87	-62.08
CCCC(NC(=O)C1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004605310	0	36	-1.0	-49.45	305.60	3.67	-45.78
CCCC(NC(=O)C1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004605310	1	36	-1.0	-49.47	305.54	3.66	-45.81
CCCC(NC(=O)C(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004605311	0	35	-1.0	-42.00	307.80	1.06	-40.94
CCCC(NC(=O)C(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004605311	1	35	-1.0	-41.98	307.85	1.07	-40.91
CCCC(NC(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004605312	0	34	-1.0	-59.21	298.40	-1.82	-61.03
CCCC(NC(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004605312	1	34	-1.0	-59.23	298.46	-1.81	-61.04
CCCC(NC(=O)C1=CC(CC(C)C)=NN1)C1=N[N-]N=N1	REAL250004605313	0	41	-1.0	-43.35	336.70	3.00	-40.35
CCCC(NC(=O)C1=CC(CC(C)C)=NN1)C1=NN=N[N-]1	REAL250004605313	1	41	-1.0	-43.34	336.76	3.02	-40.32
CCCC(NC(=O)C1=CC(C(C)C)=NN1)C1=N[N-]N=N1	REAL250004605314	0	38	-1.0	-43.63	318.32	1.95	-41.68
CCCC(NC(=O)C1=CC(C(C)C)=NN1)C1=NN=N[N-]1	REAL250004605314	1	38	-1.0	-43.57	318.38	1.97	-41.60
CCCC(NC(=O)CC(=O)OCC)C1=N[N-]N=N1	REAL250004605315	0	34	-1.0	-52.16	292.72	3.18	-48.98
CCCC(NC(=O)CC(=O)OCC)C1=NN=N[N-]1	REAL250004605315	1	34	-1.0	-52.16	292.77	3.20	-48.96
CCCC(NC(=O)CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004605316	0	37	-1.0	-45.32	315.20	3.34	-41.98
CCCC(NC(=O)CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004605316	1	37	-1.0	-45.30	315.25	3.36	-41.94
CCCC(NC(=O)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004605317	0	35	-1.0	-45.71	299.08	2.42	-43.29
CCCC(NC(=O)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004605317	1	35	-1.0	-45.64	299.14	2.44	-43.20
CCCC(NC(=O)C(OC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605318	0	39	-1.0	-50.23	331.26	4.44	-45.79
CCCC(NC(=O)C(OC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605318	1	39	-1.0	-50.22	331.32	4.46	-45.76
CCCC(NC(=O)C1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL250004605320	0	36	-1.0	-53.90	316.53	4.78	-49.12
CCCC(NC(=O)C1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL250004605320	1	36	-1.0	-53.91	316.59	4.79	-49.12
CCCC(NC(=O)C1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004605321	0	36	-1.0	-46.04	297.25	-0.12	-46.16
CCCC(NC(=O)C1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004605321	1	36	-1.0	-46.03	297.31	-0.11	-46.14
CCCC(NC(=O)C1=CC(C(C)(C)C)=NN1)C1=N[N-]N=N1	REAL250004605322	0	41	-1.0	-43.77	338.35	2.55	-41.22
CCCC(NC(=O)C1=CC(C(C)(C)C)=NN1)C1=NN=N[N-]1	REAL250004605322	1	41	-1.0	-43.75	338.41	2.56	-41.19
CCCC(NC(=O)C1=NNC2=C1CCC2)C1=N[N-]N=N1	REAL250004605323	0	36	-1.0	-50.13	302.68	1.94	-48.19
CCCC(NC(=O)C1=NNC2=C1CCC2)C1=NN=N[N-]1	REAL250004605323	1	36	-1.0	-50.11	302.73	1.95	-48.16
CCCC(NC(=O)CCC(C)(F)F)C1=N[N-]N=N1	REAL250004605324	0	34	-1.0	-43.19	293.03	2.99	-40.20
CCCC(NC(=O)CCC(C)(F)F)C1=NN=N[N-]1	REAL250004605324	1	34	-1.0	-43.20	293.08	3.00	-40.20
CCCC(NC(=O)COC1CCCC1)C1=N[N-]N=N1	REAL250004605325	0	39	-1.0	-48.19	318.43	3.69	-44.50
CCCC(NC(=O)COC1CCCC1)C1=NN=N[N-]1	REAL250004605325	1	39	-1.0	-48.21	318.49	3.70	-44.51
CCCC(NC(=O)CN1C=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL250004605326	0	34	-1.0	-64.25	309.65	3.42	-60.83
CCCC(NC(=O)CN1C=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL250004605326	1	34	-1.0	-64.27	309.59	3.41	-60.86
CCCC(NC(=O)COC1CCCCC1)C1=N[N-]N=N1	REAL250004605327	0	42	-1.0	-48.40	335.38	4.29	-44.11
CCCC(NC(=O)COC1CCCCC1)C1=NN=N[N-]1	REAL250004605327	1	42	-1.0	-48.43	335.44	4.32	-44.11
CCCC(NC(=O)C1=CSC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004605328	0	31	-1.0	-47.63	295.62	3.37	-44.26
CCCC(NC(=O)C1=CSC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004605328	1	31	-1.0	-47.64	295.67	3.39	-44.25
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605329	0	35	-1.0	-42.08	308.53	4.39	-37.69
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605329	1	35	-1.0	-42.04	308.59	4.41	-37.63
CCCC(NC(=O)C1=CN=CN=C1C)C1=N[N-]N=N1	REAL250004605330	0	33	-1.0	-42.39	280.73	2.30	-40.09
CCCC(NC(=O)C1=CN=CN=C1C)C1=NN=N[N-]1	REAL250004605330	1	33	-1.0	-42.39	280.79	2.31	-40.08
C=CCSCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605331	0	33	-1.0	-46.68	296.24	3.19	-43.49
C=CCSCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605331	1	33	-1.0	-46.68	296.30	3.21	-43.47
CCCC(NC(=O)C1CC1OCC)C1=N[N-]N=N1	REAL250004605332	0	36	-1.0	-43.22	304.99	1.98	-41.24
CCCC(NC(=O)C1CC1OCC)C1=NN=N[N-]1	REAL250004605332	1	36	-1.0	-43.20	305.05	2.00	-41.20
CCCC(NC(=O)C1=CC=C(OCC)N=C1)C1=NN=N[N-]1	REAL250004605333	0	38	-1.0	-44.14	323.32	1.30	-42.84
CCCC(NC(=O)C1=CC=C(OCC)N=C1)C1=N[N-]N=N1	REAL250004605333	1	38	-1.0	-44.10	323.26	1.28	-42.82
CCCC(NC(=O)C1=CC=NC(C)=N1)C1=N[N-]N=N1	REAL250004605334	0	33	-1.0	-44.14	288.39	1.66	-42.48
CCCC(NC(=O)C1=CC=NC(C)=N1)C1=NN=N[N-]1	REAL250004605334	1	33	-1.0	-44.12	288.45	1.68	-42.44
CCCC(NC(=O)C1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004605335	0	35	-1.0	-53.20	299.65	2.90	-50.30
CCCC(NC(=O)C1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004605335	1	35	-1.0	-53.18	299.71	2.91	-50.27
CCCC(NC(=O)C1=C(Cl)N=CS1)C1=NN=N[N-]1	REAL250004605336	0	28	-1.0	-47.22	275.46	1.25	-45.97
CCCC(NC(=O)C1=C(Cl)N=CS1)C1=N[N-]N=N1	REAL250004605336	1	28	-1.0	-47.16	275.40	1.23	-45.93
CCCC(NC(=O)CCSCC)C1=N[N-]N=N1	REAL250004605337	0	35	-1.0	-43.39	305.11	3.44	-39.95
CCCC(NC(=O)CCSCC)C1=NN=N[N-]1	REAL250004605337	1	35	-1.0	-43.38	305.17	3.45	-39.93
CCCC(NC(=O)CNC(=O)OC)C1=N[N-]N=N1	REAL250004605338	0	33	-1.0	-43.80	288.41	-1.59	-45.39
CCCC(NC(=O)CNC(=O)OC)C1=NN=N[N-]1	REAL250004605338	1	33	-1.0	-43.79	288.47	-1.57	-45.36
CCCC(NC(=O)C1=NOC2=C1CCCC2)C1=N[N-]N=N1	REAL250004605339	0	38	-1.0	-46.78	314.79	3.60	-43.18
CCCC(NC(=O)C1=NOC2=C1CCCC2)C1=NN=N[N-]1	REAL250004605339	1	38	-1.0	-46.77	314.85	3.61	-43.16
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=N[N-]N=N1	REAL250004605340	0	32	-1.0	-41.39	291.84	3.05	-38.34
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=NN=N[N-]1	REAL250004605340	1	32	-1.0	-41.41	291.90	3.06	-38.35
CCCC(NC(=O)C1=NSN=C1)C1=NN=N[N-]1	REAL250004605341	0	27	-1.0	-41.94	255.31	-0.41	-42.35
CCCC(NC(=O)C1=NSN=C1)C1=N[N-]N=N1	REAL250004605341	1	27	-1.0	-41.92	255.25	-0.43	-42.35
CCCC(NC(=O)C1=CN=NS1)C1=NN=N[N-]1	REAL250004605342	0	27	-1.0	-41.42	256.63	0.24	-41.18
CCCC(NC(=O)C1=CN=NS1)C1=N[N-]N=N1	REAL250004605342	1	27	-1.0	-41.48	256.58	0.22	-41.26
CCCC(NC(=O)CC1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL250004605343	0	37	-1.0	-49.64	315.37	3.12	-46.52
CCCC(NC(=O)CC1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL250004605343	1	37	-1.0	-49.66	315.42	3.13	-46.53
CCCC(NC(=O)C1=CC=C(C)NC1=O)C1=N[N-]N=N1	REAL250004605344	0	35	-1.0	-56.54	297.85	1.42	-55.12
CCCC(NC(=O)C1=CC=C(C)NC1=O)C1=NN=N[N-]1	REAL250004605344	1	35	-1.0	-56.49	297.91	1.44	-55.05
CCCC(NC(=O)CC(C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004605345	0	46	-1.0	-45.06	346.14	4.91	-40.15
CCCC(NC(=O)CC(C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004605345	1	46	-1.0	-45.06	346.20	4.92	-40.14
CCCSCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605346	0	35	-1.0	-46.59	304.94	3.43	-43.16
CCCSCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605346	1	35	-1.0	-46.62	304.99	3.45	-43.17
CCCC(NC(=O)C(C)N1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004605347	0	35	-1.0	-45.83	314.77	2.74	-43.09
CCCC(NC(=O)C(C)N1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004605347	1	35	-1.0	-45.81	314.71	2.72	-43.09
CCCC(NC(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004605348	0	35	-1.0	-64.99	299.36	2.98	-62.01
CCCC(NC(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004605348	1	35	-1.0	-65.00	299.30	2.97	-62.03
CCCC(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004605349	0	28	-1.0	-45.51	261.51	0.79	-44.72
CCCC(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004605349	1	28	-1.0	-45.52	261.45	0.77	-44.75
CCCC(NC(=O)C=C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004605350	0	40	-1.0	-45.92	319.89	5.23	-40.69
CCCC(NC(=O)C=C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004605350	1	40	-1.0	-45.91	319.95	5.25	-40.66
CCCC(NC(=O)CCN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004605351	0	35	-1.0	-44.40	318.44	2.80	-41.60
CCCC(NC(=O)CCN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004605351	1	35	-1.0	-44.41	318.38	2.78	-41.63
CCCC(NC(=O)C=C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605352	0	39	-1.0	-44.73	328.72	5.61	-39.12
CCCC(NC(=O)C=C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605352	1	39	-1.0	-44.75	328.78	5.63	-39.12
CCCC(NC(=O)C1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605353	0	37	-1.0	-50.06	311.07	4.15	-45.91
CCCC(NC(=O)C1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605353	1	37	-1.0	-50.07	311.01	4.13	-45.94
CCCC(NC(=O)CN1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004605354	0	35	-1.0	-54.81	301.07	2.43	-52.38
CCCC(NC(=O)CN1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004605354	1	35	-1.0	-54.84	301.02	2.40	-52.44
CCCC(NC(=O)CS(=O)(=O)C(C)C)C1=N[N-]N=N1	REAL250004605355	0	37	-1.0	-61.19	318.96	-0.21	-61.40
CCCC(NC(=O)CS(=O)(=O)C(C)C)C1=NN=N[N-]1	REAL250004605355	1	37	-1.0	-61.18	319.02	-0.20	-61.38
CCCC(NC(=O)C1=CC(C)=NN1C)C1=N[N-]N=N1	REAL250004605356	0	35	-1.0	-44.46	296.78	1.94	-42.52
CCCC(NC(=O)C1=CC(C)=NN1C)C1=NN=N[N-]1	REAL250004605356	1	35	-1.0	-44.45	296.84	1.96	-42.49
CCCC(NC(=O)C1=CC=CC(OCC)=C1)C1=N[N-]N=N1	REAL250004605357	0	39	-1.0	-49.83	325.63	3.85	-45.98
CCCC(NC(=O)C1=CC=CC(OCC)=C1)C1=NN=N[N-]1	REAL250004605357	1	39	-1.0	-49.87	325.69	3.86	-46.01
CCCC(NC(=O)CCC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004605358	0	38	-1.0	-46.87	323.19	2.90	-43.97
CCCC(NC(=O)CCC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004605358	1	38	-1.0	-46.88	323.13	2.89	-43.99
CCCC(NC(=O)CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004605359	0	38	-1.0	-52.64	326.80	4.83	-47.81
CCCC(NC(=O)CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004605359	1	38	-1.0	-52.62	326.86	4.84	-47.78
CCCC(NC(=O)CSC1=NN=CS1)C1=NN=N[N-]1	REAL250004605360	0	31	-1.0	-45.66	300.68	1.07	-44.59
CCCC(NC(=O)CSC1=NN=CS1)C1=N[N-]N=N1	REAL250004605360	1	31	-1.0	-45.66	300.62	1.06	-44.60
CCCC(NC(=O)CNC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004605361	0	44	-1.0	-42.65	351.07	1.69	-40.96
CCCC(NC(=O)CNC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004605361	1	44	-1.0	-42.63	351.13	1.71	-40.92
CCCCSC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605362	0	41	-1.0	-46.24	344.89	4.78	-41.46
CCCCSC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605362	1	41	-1.0	-46.24	344.95	4.79	-41.45
CCCC(NC(=O)CNC(=O)CNC(C)=O)C1=N[N-]N=N1	REAL250004605363	0	39	-1.0	-46.63	336.56	-2.51	-49.14
CCCC(NC(=O)CNC(=O)CNC(C)=O)C1=NN=N[N-]1	REAL250004605363	1	39	-1.0	-46.64	336.61	-2.49	-49.13
CCCC(NC(=O)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605364	0	39	-1.0	-48.75	332.09	5.77	-42.98
CCCC(NC(=O)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605364	1	39	-1.0	-48.77	332.15	5.79	-42.98
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2O1)C1=N[N-]N=N1	REAL250004605365	0	38	-1.0	-45.48	326.90	4.70	-40.78
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2O1)C1=NN=N[N-]1	REAL250004605365	1	38	-1.0	-45.47	326.96	4.71	-40.76
CCCC(NC(=O)CCN1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004605366	0	38	-1.0	-46.07	323.24	2.96	-43.11
CCCC(NC(=O)CCN1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004605366	1	38	-1.0	-46.11	323.18	2.95	-43.16
CCCC(NC(=O)C1=CC2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004605367	0	39	-1.0	-46.51	325.73	5.15	-41.36
CCCC(NC(=O)C1=CC2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004605367	1	39	-1.0	-46.51	325.67	5.14	-41.37
CCCC(NC(=O)C(C)OCCOCC)C1=N[N-]N=N1	REAL250004605368	0	42	-1.0	-51.79	348.77	2.55	-49.24
CCCC(NC(=O)C(C)OCCOCC)C1=NN=N[N-]1	REAL250004605368	1	42	-1.0	-51.80	348.83	2.57	-49.23
CCCC(NC(=O)C(C)OCC(C)C)C1=N[N-]N=N1	REAL250004605369	0	41	-1.0	-48.65	334.89	3.81	-44.84
CCCC(NC(=O)C(C)OCC(C)C)C1=NN=N[N-]1	REAL250004605369	1	41	-1.0	-48.66	334.95	3.83	-44.83
CCCC(NC(=O)CCC1=NC=CS1)C1=N[N-]N=N1	REAL250004605370	0	34	-1.0	-44.59	305.11	2.22	-42.37
CCCC(NC(=O)CCC1=NC=CS1)C1=NN=N[N-]1	REAL250004605370	1	34	-1.0	-44.56	305.16	2.23	-42.33
CCCC(NC(=O)CSCCC(C)C)C1=N[N-]N=N1	REAL250004605371	0	41	-1.0	-46.44	344.00	4.72	-41.72
CCCC(NC(=O)CSCCC(C)C)C1=NN=N[N-]1	REAL250004605371	1	41	-1.0	-46.43	344.06	4.74	-41.69
CCCC(C)=CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605372	0	38	-1.0	-44.46	311.41	4.17	-40.29
CCCC(C)=CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605372	1	38	-1.0	-44.51	311.47	4.19	-40.32
CCCC(NC(=O)C1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605373	0	37	-1.0	-49.55	312.46	4.16	-45.39
CCCC(NC(=O)C1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605373	1	37	-1.0	-49.56	312.40	4.15	-45.41
CCCC(NC(=O)C1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004605374	0	37	-1.0	-47.70	315.45	4.02	-43.68
CCCC(NC(=O)C1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004605374	1	37	-1.0	-47.71	315.39	4.00	-43.71
CCCC(NC(=O)C1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004605375	0	31	-1.0	-45.58	283.40	1.49	-44.09
CCCC(NC(=O)C1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004605375	1	31	-1.0	-45.60	283.46	1.50	-44.10
CCCC(NC(=O)C(CC)OCC)C1=N[N-]N=N1	REAL250004605376	0	38	-1.0	-48.61	314.23	3.19	-45.42
CCCC(NC(=O)C(CC)OCC)C1=NN=N[N-]1	REAL250004605376	1	38	-1.0	-48.55	314.29	3.21	-45.34
CCCC(NC(=O)CN(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605377	0	40	-1.0	-49.45	329.47	4.54	-44.91
CCCC(NC(=O)CN(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605377	1	40	-1.0	-49.44	329.53	4.56	-44.88
CCCC(NC(=O)CC1=CC=C(C)S1)C1=N[N-]N=N1	REAL250004605378	0	35	-1.0	-47.07	311.03	4.21	-42.86
CCCC(NC(=O)CC1=CC=C(C)S1)C1=NN=N[N-]1	REAL250004605378	1	35	-1.0	-47.07	311.09	4.22	-42.85
CCCC(NC(=O)C=C1CCCCC1)C1=N[N-]N=N1	REAL250004605379	0	39	-1.0	-44.81	309.56	4.44	-40.37
CCCC(NC(=O)C=C1CCCCC1)C1=NN=N[N-]1	REAL250004605379	1	39	-1.0	-44.80	309.62	4.45	-40.35
CCCC(NC(=O)CS(=O)(=O)CCC)C1=N[N-]N=N1	REAL250004605380	0	37	-1.0	-61.53	323.40	0.01	-61.52
CCCC(NC(=O)CS(=O)(=O)CCC)C1=NN=N[N-]1	REAL250004605380	1	37	-1.0	-61.55	323.46	0.02	-61.53
CCCC(NC(=O)C1=CC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL250004605381	0	33	-1.0	-55.60	302.24	-0.62	-56.22
CCCC(NC(=O)C1=CC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL250004605381	1	33	-1.0	-55.62	302.29	-0.60	-56.22
CCCC(NC(=O)CS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605383	0	31	-1.0	-62.39	280.44	-1.69	-64.08
CCCC(NC(=O)CS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605383	1	31	-1.0	-62.38	280.50	-1.68	-64.06
CCCC(NC(=O)CS(=O)(=O)CC)C1=N[N-]N=N1	REAL250004605384	0	34	-1.0	-61.87	301.90	-0.79	-62.66
CCCC(NC(=O)CS(=O)(=O)CC)C1=NN=N[N-]1	REAL250004605384	1	34	-1.0	-61.90	301.96	-0.77	-62.67
CCCC(NC(=O)CCN1CCOC1=O)C1=N[N-]N=N1	REAL250004605385	0	37	-1.0	-56.38	315.22	1.41	-54.97
CCCC(NC(=O)CCN1CCOC1=O)C1=NN=N[N-]1	REAL250004605385	1	37	-1.0	-56.37	315.27	1.42	-54.95
CCCC(NC(=O)C1=CC=CC2=C1CCC2)C1=N[N-]N=N1	REAL250004605386	0	39	-1.0	-48.36	316.78	5.51	-42.85
CCCC(NC(=O)C1=CC=CC2=C1CCC2)C1=NN=N[N-]1	REAL250004605386	1	39	-1.0	-48.37	316.84	5.51	-42.86
CCCC(NC(=O)CC1=CSC(CC)=N1)C1=N[N-]N=N1	REAL250004605387	0	37	-1.0	-49.05	325.84	2.92	-46.13
CCCC(NC(=O)CC1=CSC(CC)=N1)C1=NN=N[N-]1	REAL250004605387	1	37	-1.0	-49.03	325.89	2.94	-46.09
CCCC(NC(=O)C1=C(CC)C=CS1)C1=N[N-]N=N1	REAL250004605388	0	35	-1.0	-45.63	303.82	4.02	-41.61
CCCC(NC(=O)C1=C(CC)C=CS1)C1=NN=N[N-]1	REAL250004605388	1	35	-1.0	-45.62	303.88	4.04	-41.58
CCCC(NC(=O)C1=CC=NC(SC)=C1)C1=NN=N[N-]1	REAL250004605389	0	35	-1.0	-46.50	313.03	3.03	-43.47
CCCC(NC(=O)C1=CC=NC(SC)=C1)C1=N[N-]N=N1	REAL250004605389	1	35	-1.0	-46.49	312.97	3.02	-43.47
CCCC(NC(=O)C(C)OCC1CC1)C1=N[N-]N=N1	REAL250004605390	0	39	-1.0	-48.57	324.94	3.90	-44.67
CCCC(NC(=O)C(C)OCC1CC1)C1=NN=N[N-]1	REAL250004605390	1	39	-1.0	-48.58	325.00	3.92	-44.66
CCCC(NC(=O)CC(C)C1CC1)C1=N[N-]N=N1	REAL250004605391	0	38	-1.0	-44.78	306.80	4.14	-40.64
CCCC(NC(=O)CC(C)C1CC1)C1=NN=N[N-]1	REAL250004605391	1	38	-1.0	-44.77	306.86	4.15	-40.62
CCCC(NC(=O)CC1CCCCC1C)C1=N[N-]N=N1	REAL250004605392	0	44	-1.0	-45.26	329.16	4.83	-40.43
CCCC(NC(=O)CC1CCCCC1C)C1=NN=N[N-]1	REAL250004605392	1	44	-1.0	-45.29	329.22	4.84	-40.45
CCCC(NC(=O)C1=C(C)OC=N1)C1=NN=N[N-]1	REAL250004605393	0	31	-1.0	-46.09	272.94	-0.92	-47.01
CCCC(NC(=O)C1=C(C)OC=N1)C1=N[N-]N=N1	REAL250004605393	1	31	-1.0	-46.09	272.88	-0.93	-47.02
CCCC(NC(=O)C1=CSC(COC)=N1)C1=N[N-]N=N1	REAL250004605394	0	35	-1.0	-47.28	317.15	0.38	-46.90
CCCC(NC(=O)C1=CSC(COC)=N1)C1=NN=N[N-]1	REAL250004605394	1	35	-1.0	-47.28	317.20	0.39	-46.89
CCCC(NC(=O)CC(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004605395	0	42	-1.0	-44.92	338.35	5.61	-39.31
CCCC(NC(=O)CC(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004605395	1	42	-1.0	-44.93	338.40	5.63	-39.30
CCCC(NC(=O)C1=CN=C(CC)S1)C1=N[N-]N=N1	REAL250004605396	0	34	-1.0	-45.11	304.88	2.24	-42.87
CCCC(NC(=O)C1=CN=C(CC)S1)C1=NN=N[N-]1	REAL250004605396	1	34	-1.0	-45.12	304.94	2.25	-42.87
CCCC(NC(=O)CCCN1C=CN=C1)C1=N[N-]N=N1	REAL250004605397	0	38	-1.0	-51.57	322.30	4.67	-46.90
CCCC(NC(=O)CCCN1C=CN=C1)C1=NN=N[N-]1	REAL250004605397	1	38	-1.0	-51.59	322.35	4.69	-46.90
C=CCCOCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605398	0	36	-1.0	-47.79	307.79	3.00	-44.79
C=CCCOCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605398	1	36	-1.0	-47.81	307.85	3.02	-44.79
CCCC(NC(=O)CCC1=CSC=N1)C1=N[N-]N=N1	REAL250004605399	0	34	-1.0	-46.89	304.62	2.12	-44.77
CCCC(NC(=O)CCC1=CSC=N1)C1=NN=N[N-]1	REAL250004605399	1	34	-1.0	-46.90	304.68	2.14	-44.76
CCCC(NC(=O)CNC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004605401	0	38	-1.0	-45.07	332.56	3.00	-42.07
CCCC(NC(=O)CNC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004605401	1	38	-1.0	-45.08	332.62	3.03	-42.05
CCCC(NC(=O)C1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004605402	0	31	-1.0	-45.42	275.97	1.81	-43.61
CCCC(NC(=O)C1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004605402	1	31	-1.0	-45.42	275.91	1.79	-43.63
CCCC(NC(=O)C1=CC=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL250004605403	0	35	-1.0	-48.57	306.27	-1.32	-49.89
CCCC(NC(=O)C1=CC=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL250004605403	1	35	-1.0	-48.55	306.21	-1.33	-49.88
CCCC(NC(=O)CCCN1C=CC=N1)C1=NN=N[N-]1	REAL250004605404	0	38	-1.0	-52.22	322.87	3.09	-49.13
CCCC(NC(=O)CCCN1C=CC=N1)C1=N[N-]N=N1	REAL250004605404	1	38	-1.0	-52.19	322.81	3.07	-49.12
CCCC(NC(=O)CC1=NNC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605405	0	38	-1.0	-52.65	326.01	2.87	-49.78
CCCC(NC(=O)CC1=NNC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605405	1	38	-1.0	-52.66	326.07	2.88	-49.78
CCCC(NC(=O)CCOCCOC)C1=N[N-]N=N1	REAL250004605406	0	39	-1.0	-45.05	328.06	0.61	-44.44
CCCC(NC(=O)CCOCCOC)C1=NN=N[N-]1	REAL250004605406	1	39	-1.0	-45.08	328.12	0.63	-44.45
CCCC(NC(=O)C(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004605408	0	35	-1.0	-48.28	297.01	3.45	-44.83
CCCC(NC(=O)C(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004605408	1	35	-1.0	-48.30	297.06	3.46	-44.84
CCCC(NC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL250004605411	0	28	-1.0	-46.18	256.32	1.74	-44.44
CCCC(NC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL250004605411	1	28	-1.0	-46.19	256.38	1.76	-44.43
CCCC(NC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004605412	0	42	-1.0	-43.84	343.29	0.44	-43.40
CCCC(NC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004605412	1	42	-1.0	-43.85	343.35	0.45	-43.40
CCCC(NC(=O)C1CNC(=O)C1)C1=N[N-]N=N1	REAL250004605413	0	33	-1.0	-47.61	279.45	-1.11	-48.72
CCCC(NC(=O)C1CNC(=O)C1)C1=NN=N[N-]1	REAL250004605413	1	33	-1.0	-47.61	279.50	-1.08	-48.69
CCCCOC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605414	0	41	-1.0	-48.57	336.29	3.90	-44.67
CCCCOC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605414	1	41	-1.0	-48.51	336.34	3.92	-44.59
CCCCC(NC(N)=O)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605415	0	43	-1.0	-59.96	347.55	0.36	-59.60
CCCCC(NC(N)=O)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605415	1	43	-1.0	-60.02	347.60	0.37	-59.65
CCCC(NC(=O)COCCC(C)C)C1=N[N-]N=N1	REAL250004605416	0	41	-1.0	-47.90	334.05	3.73	-44.17
CCCC(NC(=O)COCCC(C)C)C1=NN=N[N-]1	REAL250004605416	1	41	-1.0	-47.94	334.11	3.75	-44.19
CCCC(NC(=O)C(C)OCCC(C)C)C1=N[N-]N=N1	REAL250004605417	0	44	-1.0	-48.36	353.83	4.42	-43.94
CCCC(NC(=O)C(C)OCCC(C)C)C1=NN=N[N-]1	REAL250004605417	1	44	-1.0	-48.33	353.89	4.44	-43.89
CCCC(NC(=O)CCCCOC)C1=N[N-]N=N1	REAL250004605418	0	38	-1.0	-45.27	315.58	1.93	-43.34
CCCC(NC(=O)CCCCOC)C1=NN=N[N-]1	REAL250004605418	1	38	-1.0	-45.34	315.64	1.95	-43.39
CCCC(NC(=O)CCCC(N)=O)C1=N[N-]N=N1	REAL250004605419	0	35	-1.0	-56.86	298.09	-1.07	-57.93
CCCC(NC(=O)CCCC(N)=O)C1=NN=N[N-]1	REAL250004605419	1	35	-1.0	-56.86	298.15	-1.05	-57.91
CCCC(NC(=O)C(C)OCC1CCCO1)C1=N[N-]N=N1	REAL250004605420	0	43	-1.0	-53.39	349.55	2.86	-50.53
CCCC(NC(=O)C(C)OCC1CCCO1)C1=NN=N[N-]1	REAL250004605420	1	43	-1.0	-53.37	349.61	2.88	-50.49
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1)C1=N[N-]N=N1	REAL250004605421	0	34	-1.0	-47.96	307.93	1.49	-46.47
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1)C1=NN=N[N-]1	REAL250004605421	1	34	-1.0	-47.98	307.99	1.51	-46.47
CCCC(NC(=O)C1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004605422	0	35	-1.0	-46.99	313.34	2.84	-44.15
CCCC(NC(=O)C1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004605422	1	35	-1.0	-46.98	313.40	2.86	-44.12
C=CCCOC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605423	0	39	-1.0	-48.37	327.57	3.68	-44.69
C=CCCOC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605423	1	39	-1.0	-48.37	327.63	3.70	-44.67
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL250004605424	0	38	-1.0	-45.96	326.94	4.68	-41.28
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL250004605424	1	38	-1.0	-45.95	327.00	4.70	-41.25
CCCC(NC(=O)C1=CC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL250004605425	0	33	-1.0	-46.44	304.18	-0.51	-46.95
CCCC(NC(=O)C1=CC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL250004605425	1	33	-1.0	-46.43	304.24	-0.49	-46.92
CCCC(NC(=O)C1=CC(N(C)C)=CC=N1)C1=N[N-]N=N1	REAL250004605426	0	39	-1.0	-48.49	323.32	2.31	-46.18
CCCC(NC(=O)C1=CC(N(C)C)=CC=N1)C1=NN=N[N-]1	REAL250004605426	1	39	-1.0	-48.50	323.38	2.33	-46.17
CCCC(NC(=O)C1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL250004605427	0	37	-1.0	-46.87	310.28	2.92	-43.95
CCCC(NC(=O)C1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL250004605427	1	37	-1.0	-46.85	310.34	2.93	-43.92
CCCC(NC(=O)C1=CN2C=NN=C2C=C1)C1=NN=N[N-]1	REAL250004605428	0	34	-1.0	-46.23	295.33	4.93	-41.30
CCCC(NC(=O)C1=CN2C=NN=C2C=C1)C1=N[N-]N=N1	REAL250004605428	1	34	-1.0	-46.22	295.27	4.91	-41.31
CCCC(NC(=O)C=CC1=CSC=N1)C1=N[N-]N=N1	REAL250004605430	0	32	-1.0	-47.65	295.24	2.02	-45.63
CCCC(NC(=O)C=CC1=CSC=N1)C1=NN=N[N-]1	REAL250004605430	1	32	-1.0	-47.67	295.30	2.03	-45.64
CCCC(NC(=O)C1=C(C)N=C(CC)S1)C1=N[N-]N=N1	REAL250004605431	0	37	-1.0	-44.70	321.90	2.86	-41.84
CCCC(NC(=O)C1=C(C)N=C(CC)S1)C1=NN=N[N-]1	REAL250004605431	1	37	-1.0	-44.73	321.96	2.88	-41.85
CCCC(NC(=O)C(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004605432	0	34	-1.0	-45.73	299.85	1.23	-44.50
CCCC(NC(=O)C(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004605432	1	34	-1.0	-45.71	299.90	1.25	-44.46
CCCC(NC(=O)CCN1CCOCC1)C1=N[N-]N=N1	REAL250004605433	0	41	-1.0	-45.32	327.25	-0.23	-45.55
CCCC(NC(=O)CCN1CCOCC1)C1=NN=N[N-]1	REAL250004605433	1	41	-1.0	-45.33	327.30	-0.21	-45.54
CCCC(NC(=O)CC1=C(Cl)ON=C1C)C1=N[N-]N=N1	REAL250004605434	0	34	-1.0	-45.27	311.68	2.88	-42.39
CCCC(NC(=O)CC1=C(Cl)ON=C1C)C1=NN=N[N-]1	REAL250004605434	1	34	-1.0	-45.25	311.73	2.89	-42.36
CCCC(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004605435	0	37	-1.0	-47.66	314.50	3.33	-44.33
CCCC(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004605435	1	37	-1.0	-47.68	314.56	3.35	-44.33
CCCC(NC(=O)CC(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004605436	0	47	-1.0	-44.51	353.60	5.69	-38.82
CCCC(NC(=O)CC(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004605436	1	47	-1.0	-44.53	353.65	5.70	-38.83
CCCC(NC(=O)C1=CC(N)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004605437	0	33	-1.0	-43.01	301.58	1.03	-41.98
CCCC(NC(=O)C1=CC(N)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004605437	1	33	-1.0	-43.01	301.52	1.02	-41.99
CCCC(NC(=O)CCN1C=CN=C1)C1=N[N-]N=N1	REAL250004605438	0	35	-1.0	-44.75	300.80	3.87	-40.88
CCCC(NC(=O)CCN1C=CN=C1)C1=NN=N[N-]1	REAL250004605438	1	35	-1.0	-44.75	300.85	3.89	-40.86
CCCC(NC(=O)C1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL250004605439	0	35	-1.0	-45.41	306.27	-1.31	-46.72
CCCC(NC(=O)C1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL250004605439	1	35	-1.0	-45.46	306.21	-1.32	-46.78
CCCC(NC(=O)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004605440	0	35	-1.0	-48.50	301.79	2.10	-46.40
CCCC(NC(=O)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004605440	1	35	-1.0	-48.46	301.73	2.09	-46.37
CCCC(NC(=O)C1=CC(C)=NN1CC)C1=N[N-]N=N1	REAL250004605441	0	38	-1.0	-44.09	318.11	2.79	-41.30
CCCC(NC(=O)C1=CC(C)=NN1CC)C1=NN=N[N-]1	REAL250004605441	1	38	-1.0	-44.11	318.17	2.81	-41.30
CCCC(NC(=O)COC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004605442	0	35	-1.0	-48.91	302.77	2.42	-46.49
CCCC(NC(=O)COC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004605442	1	35	-1.0	-48.88	302.72	2.40	-46.48
CCCC(NC(=O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004605443	0	41	-1.0	-44.65	311.15	4.28	-40.37
CCCC(NC(=O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004605443	1	41	-1.0	-44.65	311.21	4.29	-40.36
CCCC(NC(=O)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004605444	0	32	-1.0	-52.63	285.15	3.76	-48.87
CCCC(NC(=O)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004605444	1	32	-1.0	-52.58	285.20	3.78	-48.80
CCCC(NC(=O)CC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004605445	0	44	-1.0	-45.32	339.60	5.18	-40.14
CCCC(NC(=O)CC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004605445	1	44	-1.0	-45.31	339.66	5.19	-40.12
CCCC(NC(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004605446	0	36	-1.0	-46.66	319.76	4.69	-41.97
CCCC(NC(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004605446	1	36	-1.0	-46.72	319.81	4.71	-42.01
CCCC(NC(=O)C1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004605447	0	35	-1.0	-48.27	308.44	4.54	-43.73
CCCC(NC(=O)C1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004605447	1	35	-1.0	-48.25	308.50	4.55	-43.70
CCCC(NC(=O)C1=C2C=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004605448	0	39	-1.0	-54.19	325.87	5.37	-48.82
CCCC(NC(=O)C1=C2C=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004605448	1	39	-1.0	-54.20	325.82	5.35	-48.85
CCCC(NC(=O)C1=CSC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004605449	0	37	-1.0	-46.68	324.62	2.64	-44.04
CCCC(NC(=O)C1=CSC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004605449	1	37	-1.0	-46.68	324.68	2.66	-44.02
CCCC(NC(=O)C1=CC(C)=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004605450	0	38	-1.0	-61.29	322.24	3.09	-58.20
CCCC(NC(=O)C1=CC(C)=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004605450	1	38	-1.0	-61.31	322.18	3.07	-58.24
CCCC(NC(=O)C(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004605451	0	41	-1.0	-45.86	317.33	-0.39	-46.25
CCCC(NC(=O)C(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004605451	1	41	-1.0	-45.87	317.39	-0.38	-46.25
CCCC(NC(=O)CCCN1C=CN=C1C)C1=N[N-]N=N1	REAL250004605452	0	41	-1.0	-51.88	342.03	4.46	-47.42
CCCC(NC(=O)CCCN1C=CN=C1C)C1=NN=N[N-]1	REAL250004605452	1	41	-1.0	-51.86	342.09	4.48	-47.38
CCCC(NC(=O)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004605453	0	35	-1.0	-44.89	315.65	4.81	-40.08
CCCC(NC(=O)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004605453	1	35	-1.0	-44.86	315.71	4.82	-40.04
CCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605454	0	40	-1.0	-44.82	316.85	4.10	-40.72
CCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605454	1	40	-1.0	-44.81	316.91	4.11	-40.70
CCCC(NC(=O)C(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004605456	0	40	-1.0	-47.76	326.91	3.47	-44.29
CCCC(NC(=O)C(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004605456	1	40	-1.0	-47.68	326.95	3.49	-44.19
CCCC(NC(=O)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605457	0	38	-1.0	-46.69	320.32	4.96	-41.73
CCCC(NC(=O)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605457	1	38	-1.0	-46.73	320.38	4.98	-41.75
CCCC(NC(=O)CC(C)CC(C)C)C1=N[N-]N=N1	REAL250004605458	0	43	-1.0	-44.39	334.22	4.62	-39.77
CCCC(NC(=O)CC(C)CC(C)C)C1=NN=N[N-]1	REAL250004605458	1	43	-1.0	-44.34	334.27	4.63	-39.71
CCCCCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605459	0	49	-1.0	-44.85	381.35	6.44	-38.41
CCCCCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605459	1	49	-1.0	-44.86	381.40	6.45	-38.41
CCCC(NC(=O)C1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL250004605460	0	35	-1.0	-50.99	300.25	4.37	-46.62
CCCC(NC(=O)C1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL250004605460	1	35	-1.0	-51.00	300.31	4.38	-46.62
CCCC(NC(=O)CCN1CCCC1=O)C1=N[N-]N=N1	REAL250004605461	0	39	-1.0	-48.62	324.97	2.36	-46.26
CCCC(NC(=O)CCN1CCCC1=O)C1=NN=N[N-]1	REAL250004605461	1	39	-1.0	-48.63	325.03	2.39	-46.24
CCCC(NC(=O)CC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL250004605462	0	41	-1.0	-46.89	337.10	5.45	-41.44
CCCC(NC(=O)CC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL250004605462	1	41	-1.0	-46.87	337.16	5.46	-41.41
CCCC(NC(=O)C1CCCOC1)C1=N[N-]N=N1	REAL250004605463	0	36	-1.0	-44.26	291.13	1.48	-42.78
CCCC(NC(=O)C1CCCOC1)C1=NN=N[N-]1	REAL250004605463	1	36	-1.0	-44.27	291.18	1.49	-42.78
CCCC(NC(=O)CNC(=O)CCC(C)C)C1=N[N-]N=N1	REAL250004605464	0	44	-1.0	-43.34	358.44	1.87	-41.47
CCCC(NC(=O)CNC(=O)CCC(C)C)C1=NN=N[N-]1	REAL250004605464	1	44	-1.0	-43.35	358.50	1.88	-41.47
CCCC(NC(=O)C1=CSC=N1)C1=NN=N[N-]1	REAL250004605465	0	28	-1.0	-47.39	261.60	0.63	-46.76
CCCC(NC(=O)C1=CSC=N1)C1=N[N-]N=N1	REAL250004605465	1	28	-1.0	-47.36	261.54	0.62	-46.74
CCCC(NC(=O)CCCC(=O)NCC)C1=N[N-]N=N1	REAL250004605466	0	41	-1.0	-56.88	341.51	1.25	-55.63
CCCC(NC(=O)CCCC(=O)NCC)C1=NN=N[N-]1	REAL250004605466	1	41	-1.0	-56.89	341.56	1.27	-55.62
CCCC(NC(=O)CCC(=O)NCC)C1=N[N-]N=N1	REAL250004605467	0	38	-1.0	-45.39	320.01	0.47	-44.92
CCCC(NC(=O)CCC(=O)NCC)C1=NN=N[N-]1	REAL250004605467	1	38	-1.0	-45.37	320.07	0.49	-44.88
CCCNC(=O)CCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605468	0	41	-1.0	-45.25	341.51	1.24	-44.01
CCCNC(=O)CCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605468	1	41	-1.0	-45.24	341.57	1.25	-43.99
CCCNC(=O)CCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605469	0	44	-1.0	-56.85	363.01	2.02	-54.83
CCCNC(=O)CCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605469	1	44	-1.0	-56.83	363.06	2.03	-54.80
CCCC(NC(=O)CCCC(=O)NC(C)C)C1=N[N-]N=N1	REAL250004605470	0	44	-1.0	-56.98	362.14	2.06	-54.92
CCCC(NC(=O)CCCC(=O)NC(C)C)C1=NN=N[N-]1	REAL250004605470	1	44	-1.0	-56.99	362.19	2.07	-54.92
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004605471	0	32	-1.0	-40.72	293.27	3.81	-36.91
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004605471	1	32	-1.0	-40.74	293.33	3.82	-36.92
CCCC(NC(=O)CNC(=O)CC)C1=N[N-]N=N1	REAL250004605472	0	35	-1.0	-43.68	297.88	-0.18	-43.86
CCCC(NC(=O)CNC(=O)CC)C1=NN=N[N-]1	REAL250004605472	1	35	-1.0	-43.72	297.93	-0.17	-43.89
CCCC(NC(=O)CN1C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004605473	0	38	-1.0	-61.28	325.98	3.98	-57.30
CCCC(NC(=O)CN1C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004605473	1	38	-1.0	-61.35	325.93	3.97	-57.38
CCCC(NC(=O)C1=C(OC)C=CS1)C1=N[N-]N=N1	REAL250004605474	0	33	-1.0	-52.57	294.56	2.92	-49.65
CCCC(NC(=O)C1=C(OC)C=CS1)C1=NN=N[N-]1	REAL250004605474	1	33	-1.0	-52.63	294.61	2.94	-49.69
CCCC(NC(=O)C1=CN2C=CN=C2C=C1)C1=N[N-]N=N1	REAL250004605475	0	35	-1.0	-45.39	300.62	4.18	-41.21
CCCC(NC(=O)C1=CN2C=CN=C2C=C1)C1=NN=N[N-]1	REAL250004605475	1	35	-1.0	-45.37	300.68	4.20	-41.17
CCCC(NC(=O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004605476	0	41	-1.0	-45.89	336.26	5.52	-40.37
CCCC(NC(=O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004605476	1	41	-1.0	-45.85	336.32	5.54	-40.31
CCCC(NC(=O)CNCC(F)(F)F)C1=N[N-]N=N1	REAL250004605477	0	33	-1.0	-46.31	295.98	-0.07	-46.38
CCCC(NC(=O)CNCC(F)(F)F)C1=NN=N[N-]1	REAL250004605477	1	33	-1.0	-46.34	296.04	-0.05	-46.39
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004605478	0	35	-1.0	-46.75	309.72	4.71	-42.04
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004605478	1	35	-1.0	-46.76	309.78	4.72	-42.04
CCCC(NC(=O)COCCOC)C1=N[N-]N=N1	REAL250004605479	0	36	-1.0	-51.81	307.11	0.89	-50.92
CCCC(NC(=O)COCCOC)C1=NN=N[N-]1	REAL250004605479	1	36	-1.0	-51.79	307.17	0.90	-50.89
CCCC(NC(=O)C1=CN=C(C(C)C)N1)C1=N[N-]N=N1	REAL250004605480	0	38	-1.0	-46.01	318.67	2.21	-43.80
CCCC(NC(=O)C1=CN=C(C(C)C)N1)C1=NN=N[N-]1	REAL250004605480	1	38	-1.0	-46.04	318.73	2.23	-43.81
CCCC(NC(=O)C1=CN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL250004605481	0	36	-1.0	-49.59	308.99	5.24	-44.35
CCCC(NC(=O)C1=CN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL250004605481	1	36	-1.0	-49.62	308.94	5.23	-44.39
CCCC(NC(=O)CN(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL250004605482	0	39	-1.0	-48.96	327.51	2.89	-46.07
CCCC(NC(=O)CN(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL250004605482	1	39	-1.0	-48.94	327.57	2.91	-46.03
CCCC(NC(=O)CCNC(=O)COC)C1=N[N-]N=N1	REAL250004605483	0	39	-1.0	-57.59	332.73	-0.20	-57.79
CCCC(NC(=O)CCNC(=O)COC)C1=NN=N[N-]1	REAL250004605483	1	39	-1.0	-57.57	332.79	-0.18	-57.75
CCCC(NC(=O)CSCC(N)=O)C1=N[N-]N=N1	REAL250004605484	0	33	-1.0	-56.87	299.45	-1.29	-58.16
CCCC(NC(=O)CSCC(N)=O)C1=NN=N[N-]1	REAL250004605484	1	33	-1.0	-56.84	299.51	-1.27	-58.11
CCCC(NC(=O)C1=NON=C1C)C1=N[N-]N=N1	REAL250004605485	0	30	-1.0	-39.01	267.68	0.88	-38.13
CCCC(NC(=O)C1=NON=C1C)C1=NN=N[N-]1	REAL250004605485	1	30	-1.0	-39.00	267.74	0.89	-38.11
CCCC(NC(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL250004605487	0	32	-1.0	-43.13	288.03	3.74	-39.39
CCCC(NC(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL250004605487	1	32	-1.0	-43.13	288.09	3.76	-39.37
CCCC(NC(=O)CN1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004605489	0	37	-1.0	-56.62	316.47	-0.22	-56.84
CCCC(NC(=O)CN1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004605489	1	37	-1.0	-56.65	316.53	-0.20	-56.85
CCCC(NC(=O)C1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004605490	0	35	-1.0	-52.71	301.82	3.38	-49.33
CCCC(NC(=O)C1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004605490	1	35	-1.0	-52.67	301.76	3.37	-49.30
C#CC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)N=C1	REAL250004605491	0	33	-1.0	-46.30	298.76	3.09	-43.21
C#CC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)N=C1	REAL250004605491	1	33	-1.0	-46.32	298.81	3.10	-43.22
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004605492	0	35	-1.0	-47.87	306.45	4.47	-43.40
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004605492	1	35	-1.0	-47.86	306.51	4.49	-43.37
CCCC(NC(=O)CC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004605493	0	36	-1.0	-53.50	300.15	-0.00	-53.50
CCCC(NC(=O)CC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004605493	1	36	-1.0	-53.50	300.21	0.02	-53.48
CCCC(NC(=O)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605494	0	39	-1.0	-46.38	319.83	5.39	-40.99
CCCC(NC(=O)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605494	1	39	-1.0	-46.37	319.88	5.41	-40.96
CCCC(NC(=O)CN1N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605495	0	38	-1.0	-51.10	327.66	3.92	-47.18
CCCC(NC(=O)CN1N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605495	1	38	-1.0	-51.13	327.61	3.90	-47.23
CCCC(NC(=O)[C@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004605496	0	33	-1.0	-49.63	281.27	-0.79	-50.42
CCCC(NC(=O)[C@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004605496	1	33	-1.0	-49.66	281.32	-0.78	-50.44
CCCC(NC(=O)CCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605497	0	41	-1.0	-45.23	335.65	5.57	-39.66
CCCC(NC(=O)CCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605497	1	41	-1.0	-45.19	335.71	5.58	-39.61
CCCC(NC(=O)CCNC(=O)OC)C1=N[N-]N=N1	REAL250004605499	0	36	-1.0	-51.22	310.54	-0.97	-52.19
CCCC(NC(=O)CCNC(=O)OC)C1=NN=N[N-]1	REAL250004605499	1	36	-1.0	-51.24	310.60	-0.96	-52.20
CCCC(NC(=O)C1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004605500	0	31	-1.0	-42.76	275.75	1.80	-40.96
CCCC(NC(=O)C1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004605500	1	31	-1.0	-42.69	275.69	1.78	-40.91
CCCC(NC(=O)C1=CC2=C(C=CS2)N1)C1=NN=N[N-]1	REAL250004605501	0	33	-1.0	-46.32	298.22	2.64	-43.68
CCCC(NC(=O)C1=CC2=C(C=CS2)N1)C1=N[N-]N=N1	REAL250004605501	1	33	-1.0	-46.35	298.16	2.63	-43.72
CCCC(NC(=O)CCCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004605502	0	40	-1.0	-50.30	336.00	4.10	-46.20
CCCC(NC(=O)CCCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004605502	1	40	-1.0	-50.30	336.06	4.12	-46.18
CCCC(NC(=O)C1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004605503	0	36	-1.0	-51.55	305.65	3.68	-47.87
CCCC(NC(=O)C1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004605503	1	36	-1.0	-51.55	305.60	3.67	-47.88
CCCC(NC(=O)CCCNC(=O)OC)C1=N[N-]N=N1	REAL250004605504	0	39	-1.0	-47.84	332.04	-0.17	-48.01
CCCC(NC(=O)CCCNC(=O)OC)C1=NN=N[N-]1	REAL250004605504	1	39	-1.0	-47.84	332.10	-0.15	-47.99
CCCC(NC(=O)C(C)N1CCN(C)CC1)C1=N[N-]N=N1	REAL250004605505	0	45	-1.0	-46.44	344.95	-0.49	-46.93
CCCC(NC(=O)C(C)N1CCN(C)CC1)C1=NN=N[N-]1	REAL250004605505	1	45	-1.0	-46.43	345.01	-0.48	-46.91
CCCC(NC(=O)CCCN(C)C(=O)OC)C1=N[N-]N=N1	REAL250004605506	0	42	-1.0	-50.93	351.68	2.42	-48.51
CCCC(NC(=O)CCCN(C)C(=O)OC)C1=NN=N[N-]1	REAL250004605506	1	42	-1.0	-50.93	351.74	2.44	-48.49
CCCC(NC(=O)C1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL250004605508	0	35	-1.0	-59.00	296.62	2.71	-56.29
CCCC(NC(=O)C1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL250004605508	1	35	-1.0	-59.04	296.68	2.73	-56.31
CCCC(NC(=O)C(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL250004605509	0	41	-1.0	-48.36	329.30	2.22	-46.14
CCCC(NC(=O)C(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL250004605509	1	41	-1.0	-48.35	329.26	2.20	-46.15
C#CC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=N1	REAL250004605510	0	33	-1.0	-46.47	296.63	2.92	-43.55
C#CC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=N1	REAL250004605510	1	33	-1.0	-46.49	296.69	2.94	-43.55
CCCC(NC(=O)CC1=CCCCC1)C1=N[N-]N=N1	REAL250004605511	0	39	-1.0	-45.67	314.81	4.52	-41.15
CCCC(NC(=O)CC1=CCCCC1)C1=NN=N[N-]1	REAL250004605511	1	39	-1.0	-45.69	314.86	4.54	-41.15
CCCC(NC(=O)CC(CC)C(C)C)C1=N[N-]N=N1	REAL250004605512	0	43	-1.0	-45.32	322.78	4.23	-41.09
CCCC(NC(=O)CC(CC)C(C)C)C1=NN=N[N-]1	REAL250004605512	1	43	-1.0	-45.35	322.83	4.24	-41.11
CCCC(NC(=O)C1=CN=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004605513	0	35	-1.0	-45.69	313.85	3.18	-42.51
CCCC(NC(=O)C1=CN=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004605513	1	35	-1.0	-45.68	313.90	3.19	-42.49
CCCC(NC(=O)CCCC(C)(C)C)C1=N[N-]N=N1	REAL250004605514	0	43	-1.0	-45.13	337.14	4.55	-40.58
CCCC(NC(=O)CCCC(C)(C)C)C1=NN=N[N-]1	REAL250004605514	1	43	-1.0	-45.11	337.20	4.56	-40.55
CCCC(NC(=O)C1=CC(C(C)=O)=CS1)C1=N[N-]N=N1	REAL250004605515	0	34	-1.0	-54.61	310.56	3.13	-51.48
CCCC(NC(=O)C1=CC(C(C)=O)=CS1)C1=NN=N[N-]1	REAL250004605515	1	34	-1.0	-54.62	310.61	3.14	-51.48
CCCC(NC(=O)C1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL250004605516	0	35	-1.0	-44.21	300.98	4.32	-39.89
CCCC(NC(=O)C1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL250004605516	1	35	-1.0	-44.23	301.04	4.34	-39.89
CCCC(NC(=O)COCC1CCCO1)C1=N[N-]N=N1	REAL250004605517	0	40	-1.0	-53.43	330.56	2.11	-51.32
CCCC(NC(=O)COCC1CCCO1)C1=NN=N[N-]1	REAL250004605517	1	40	-1.0	-53.43	330.62	2.13	-51.30
CCCC(NC(=O)C1COC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605518	0	37	-1.0	-48.10	312.08	3.38	-44.72
CCCC(NC(=O)C1COC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605518	1	37	-1.0	-48.09	312.14	3.40	-44.69
CCCC(NC(=O)C1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004605519	0	35	-1.0	-51.07	303.04	3.96	-47.11
CCCC(NC(=O)C1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004605519	1	35	-1.0	-51.06	302.99	3.95	-47.11
CCCC(NC(=O)C=CC1CCOCC1)C1=N[N-]N=N1	REAL250004605520	0	40	-1.0	-46.39	326.95	2.82	-43.57
CCCC(NC(=O)C=CC1CCOCC1)C1=NN=N[N-]1	REAL250004605520	1	40	-1.0	-46.38	327.01	2.84	-43.54
CCCC(NC(=O)C1=CC=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004605521	0	37	-1.0	-44.51	318.91	3.36	-41.15
CCCC(NC(=O)C1=CC=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004605521	1	37	-1.0	-44.44	318.97	3.37	-41.07
CCCC(NC(=O)CCCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605522	0	37	-1.0	-60.50	324.04	-0.38	-60.88
CCCC(NC(=O)CCCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605522	1	37	-1.0	-60.47	324.10	-0.36	-60.83
CCCC(NC(=O)C1=CN(C)N=C1C)C1=N[N-]N=N1	REAL250004605523	0	35	-1.0	-49.51	297.44	1.98	-47.53
CCCC(NC(=O)C1=CN(C)N=C1C)C1=NN=N[N-]1	REAL250004605523	1	35	-1.0	-49.49	297.49	1.99	-47.50
CCCC(NC(=O)C1=CC=C(SC)O1)C1=N[N-]N=N1	REAL250004605524	0	33	-1.0	-44.13	301.77	2.81	-41.32
CCCC(NC(=O)C1=CC=C(SC)O1)C1=NN=N[N-]1	REAL250004605524	1	33	-1.0	-44.13	301.83	2.83	-41.30
CCCC(NC(=O)C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605525	0	41	-1.0	-45.42	335.69	5.58	-39.84
CCCC(NC(=O)C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605525	1	41	-1.0	-45.41	335.75	5.60	-39.81
CCCC(NC(=O)C1=CN(CC)N=C1)C1=NN=N[N-]1	REAL250004605526	0	35	-1.0	-47.01	300.91	2.25	-44.76
CCCC(NC(=O)C1=CN(CC)N=C1)C1=N[N-]N=N1	REAL250004605526	1	35	-1.0	-47.00	300.85	2.23	-44.77
CCCC(NC(=O)C1=CN=C(OC)N=C1)C1=NN=N[N-]1	REAL250004605527	0	34	-1.0	-44.28	296.38	-1.65	-45.93
CCCC(NC(=O)C1=CN=C(OC)N=C1)C1=N[N-]N=N1	REAL250004605527	1	34	-1.0	-44.28	296.32	-1.66	-45.94
CCCCOCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605528	0	38	-1.0	-48.02	316.48	3.22	-44.80
CCCCOCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605528	1	38	-1.0	-48.03	316.54	3.24	-44.79
CCCC(NC(=O)C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004605529	0	36	-1.0	-40.40	296.23	2.38	-38.02
CCCC(NC(=O)C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004605529	1	36	-1.0	-40.41	296.29	2.40	-38.01
CCCC(NC(=O)CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004605531	0	34	-1.0	-48.60	310.69	2.94	-45.66
CCCC(NC(=O)CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004605531	1	34	-1.0	-48.64	310.63	2.93	-45.71
CCCC(NC(=O)C1=NN(CC)C(=O)C=C1)C1=N[N-]N=N1	REAL250004605532	0	37	-1.0	-42.77	318.60	1.63	-41.14
CCCC(NC(=O)C1=NN(CC)C(=O)C=C1)C1=NN=N[N-]1	REAL250004605532	1	37	-1.0	-42.78	318.66	1.64	-41.14
CCCC(NC(=O)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605533	0	36	-1.0	-45.81	307.04	2.34	-43.47
CCCC(NC(=O)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605533	1	36	-1.0	-45.79	307.10	2.36	-43.43
CCCCCC(O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605534	0	44	-1.0	-48.31	355.58	2.78	-45.53
CCCCCC(O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605534	1	44	-1.0	-48.30	355.63	2.80	-45.50
CCCC(NC(=O)COC1CCCCC1C)C1=N[N-]N=N1	REAL250004605535	0	45	-1.0	-48.18	355.18	4.94	-43.24
CCCC(NC(=O)COC1CCCCC1C)C1=NN=N[N-]1	REAL250004605535	1	45	-1.0	-48.16	355.23	4.96	-43.20
CCCC(NC(=O)CC1CCOCC1)C1=N[N-]N=N1	REAL250004605536	0	39	-1.0	-44.64	309.82	2.18	-42.46
CCCC(NC(=O)CC1CCOCC1)C1=NN=N[N-]1	REAL250004605536	1	39	-1.0	-44.64	309.88	2.20	-42.44
CCCC(NC(=O)C(C)CSC)C1=N[N-]N=N1	REAL250004605537	0	35	-1.0	-43.21	301.06	3.12	-40.09
CCCC(NC(=O)C(C)CSC)C1=NN=N[N-]1	REAL250004605537	1	35	-1.0	-43.19	301.12	3.14	-40.05
CCCC(NC(=O)C(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004605538	0	38	-1.0	-46.76	319.88	4.87	-41.89
CCCC(NC(=O)C(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004605538	1	38	-1.0	-46.76	319.94	4.88	-41.88
CCCC(NC(=O)C1=CNC(C)=CC1=O)C1=N[N-]N=N1	REAL250004605539	0	35	-1.0	-59.25	298.69	2.17	-57.08
CCCC(NC(=O)C1=CNC(C)=CC1=O)C1=NN=N[N-]1	REAL250004605539	1	35	-1.0	-59.25	298.75	2.17	-57.08
CCCC(NC(=O)C1=CC=C(NC=O)C=C1)C1=N[N-]N=N1	REAL250004605540	0	36	-1.0	-56.08	308.78	1.82	-54.26
CCCC(NC(=O)C1=CC=C(NC=O)C=C1)C1=NN=N[N-]1	REAL250004605540	1	36	-1.0	-56.04	308.84	1.83	-54.21
CCCC(NC(=O)C1=CN=CC=C1C)C1=N[N-]N=N1	REAL250004605541	0	34	-1.0	-44.89	285.56	2.54	-42.35
CCCC(NC(=O)C1=CN=CC=C1C)C1=NN=N[N-]1	REAL250004605541	1	34	-1.0	-44.92	285.61	2.55	-42.37
CCCC(NC(=O)C1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004605542	0	40	-1.0	-44.32	336.16	3.64	-40.68
CCCC(NC(=O)C1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004605542	1	40	-1.0	-44.31	336.10	3.62	-40.69
CCCC(NC(=O)C1=CC=C(OC)C=C1C)C1=N[N-]N=N1	REAL250004605543	0	39	-1.0	-46.45	319.75	3.60	-42.85
CCCC(NC(=O)C1=CC=C(OC)C=C1C)C1=NN=N[N-]1	REAL250004605543	1	39	-1.0	-46.46	319.81	3.61	-42.85
CCCC(NC(=O)C1CN(CC)CCO1)C1=N[N-]N=N1	REAL250004605544	0	41	-1.0	-47.52	327.17	0.86	-46.66
CCCC(NC(=O)C1CN(CC)CCO1)C1=NN=N[N-]1	REAL250004605544	1	41	-1.0	-47.50	327.23	0.88	-46.62
CCCC(NC(=O)C1CCCC(C)C1)C1=N[N-]N=N1	REAL250004605545	0	41	-1.0	-45.04	320.92	4.48	-40.56
CCCC(NC(=O)C1CCCC(C)C1)C1=NN=N[N-]1	REAL250004605545	1	41	-1.0	-45.06	320.98	4.49	-40.57
CCCC(NC(=O)CCCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004605546	0	41	-1.0	-57.18	337.38	2.38	-54.80
CCCC(NC(=O)CCCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004605546	1	41	-1.0	-57.23	337.44	2.39	-54.84
CCCC(NC(=O)CCC1=CN(C)N=C1C)C1=N[N-]N=N1	REAL250004605547	0	41	-1.0	-47.13	343.28	3.41	-43.72
CCCC(NC(=O)CCC1=CN(C)N=C1C)C1=NN=N[N-]1	REAL250004605547	1	41	-1.0	-47.10	343.34	3.43	-43.67
CCCC(NC(=O)CCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL250004605548	0	37	-1.0	-47.00	326.57	2.83	-44.17
CCCC(NC(=O)CCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL250004605548	1	37	-1.0	-47.05	326.63	2.84	-44.21
CCCC(NC(=O)C=C(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004605549	0	42	-1.0	-44.58	345.07	6.09	-38.49
CCCC(NC(=O)C=C(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004605549	1	42	-1.0	-44.56	345.13	6.10	-38.46
CCCC(NC(=O)COC1CCOCC1)C1=N[N-]N=N1	REAL250004605550	0	40	-1.0	-49.95	326.58	1.90	-48.05
CCCC(NC(=O)COC1CCOCC1)C1=NN=N[N-]1	REAL250004605550	1	40	-1.0	-49.97	326.63	1.92	-48.05
CCCCC(CC)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605551	0	46	-1.0	-45.17	352.47	5.40	-39.77
CCCCC(CC)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605551	1	46	-1.0	-45.15	352.52	5.42	-39.73
CCCC(NC(=O)CC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605552	0	42	-1.0	-44.91	340.36	6.08	-38.83
CCCC(NC(=O)CC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605552	1	42	-1.0	-44.92	340.41	6.09	-38.83
CCCC(NC(=O)COC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004605553	0	45	-1.0	-48.86	354.15	5.00	-43.86
CCCC(NC(=O)COC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004605553	1	45	-1.0	-48.87	354.21	5.01	-43.86
CCCC(NC(=O)C(C)NS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605554	0	36	-1.0	-50.77	313.20	-2.53	-53.30
CCCC(NC(=O)C(C)NS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605554	1	36	-1.0	-50.76	313.25	-2.52	-53.28
CCCC(NC(=O)C1CCSCC1)C1=N[N-]N=N1	REAL250004605555	0	36	-1.0	-45.28	299.42	3.60	-41.68
CCCC(NC(=O)C1CCSCC1)C1=NN=N[N-]1	REAL250004605555	1	36	-1.0	-45.25	299.48	3.63	-41.62
CCCC(NC(=O)C1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004605556	0	38	-1.0	-49.61	319.97	2.79	-46.82
CCCC(NC(=O)C1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004605556	1	38	-1.0	-49.55	319.92	2.77	-46.78
CCCC(NC(=O)C(C)CC1CCCCC1)C1=N[N-]N=N1	REAL250004605557	0	47	-1.0	-45.91	356.58	5.85	-40.06
CCCC(NC(=O)C(C)CC1CCCCC1)C1=NN=N[N-]1	REAL250004605557	1	47	-1.0	-45.93	356.63	5.87	-40.06
CCCC(NC(=O)CC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004605558	0	44	-1.0	-45.39	332.56	4.96	-40.43
CCCC(NC(=O)CC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605558	1	44	-1.0	-45.34	332.62	4.98	-40.36
CCCC(NC(=O)COCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL250004605559	0	37	-1.0	-54.43	324.97	0.28	-54.15
CCCC(NC(=O)COCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL250004605559	1	37	-1.0	-54.44	325.03	0.30	-54.14
CCCC(NC(=O)C(C)CC1CCCC1)C1=N[N-]N=N1	REAL250004605560	0	44	-1.0	-45.74	340.43	5.20	-40.54
CCCC(NC(=O)C(C)CC1CCCC1)C1=NN=N[N-]1	REAL250004605560	1	44	-1.0	-45.74	340.49	5.22	-40.52
CCCC(NC(=O)C(CC)CC1CCCC1)C1=N[N-]N=N1	REAL250004605561	0	47	-1.0	-46.02	356.25	5.67	-40.35
CCCC(NC(=O)C(CC)CC1CCCC1)C1=NN=N[N-]1	REAL250004605561	1	47	-1.0	-46.00	356.30	5.70	-40.30
CCCC(NC(=O)CCC1CCCCO1)C1=N[N-]N=N1	REAL250004605562	0	42	-1.0	-46.86	334.92	3.23	-43.63
CCCC(NC(=O)CCC1CCCCO1)C1=NN=N[N-]1	REAL250004605562	1	42	-1.0	-46.88	334.98	3.24	-43.64
CCCC(NC(=O)C(CC)OC1CCCC1)C1=N[N-]N=N1	REAL250004605563	0	45	-1.0	-47.81	358.25	5.28	-42.53
CCCC(NC(=O)C(CC)OC1CCCC1)C1=NN=N[N-]1	REAL250004605563	1	45	-1.0	-47.79	358.31	5.30	-42.49
CCCC(NC(=O)C(C)OC1CCCCC1)C1=N[N-]N=N1	REAL250004605564	0	45	-1.0	-48.95	355.65	5.01	-43.94
CCCC(NC(=O)C(C)OC1CCCCC1)C1=NN=N[N-]1	REAL250004605564	1	45	-1.0	-48.92	355.70	5.02	-43.90
CCCCCCC(CC)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605565	0	49	-1.0	-45.45	378.41	6.24	-39.21
CCCCCCC(CC)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605565	1	49	-1.0	-45.42	378.47	6.25	-39.17
CCCC(NC(=O)C1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004605566	0	32	-1.0	-44.30	292.43	2.32	-41.98
CCCC(NC(=O)C1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004605566	1	32	-1.0	-44.32	292.37	2.30	-42.02
CCCC(NC(=O)C1=CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004605567	0	37	-1.0	-41.39	315.47	2.91	-38.48
CCCC(NC(=O)C1=CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004605567	1	37	-1.0	-41.38	315.53	2.93	-38.45
CCCC(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004605568	0	34	-1.0	-46.84	293.75	2.51	-44.33
CCCC(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004605568	1	34	-1.0	-46.84	293.81	2.52	-44.32
CCCC(NC(=O)C1CCCN1C)C1=N[N-]N=N1	REAL250004605569	1	37	-1.0	-47.64	299.86	0.85	-46.79
CCCC(NC(=O)C1CCCN1C)C1=NN=N[N-]1	REAL250004605569	1	37	-1.0	-47.64	299.92	0.87	-46.77
CCCC(NC(=O)CC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004605570	0	34	-1.0	-54.90	295.08	2.48	-52.42
CCCC(NC(=O)CC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004605570	1	34	-1.0	-54.89	295.14	2.49	-52.40
CCCC(NC(=O)CC1(O)CCCCC1)C1=N[N-]N=N1	REAL250004605571	0	42	-1.0	-47.88	325.77	2.55	-45.33
CCCC(NC(=O)CC1(O)CCCCC1)C1=NN=N[N-]1	REAL250004605571	1	42	-1.0	-47.84	325.83	2.56	-45.28
CCCC(NC(=O)C1=CC=NC(N(C)C)=C1)C1=NN=N[N-]1	REAL250004605572	0	39	-1.0	-47.01	324.46	3.50	-43.51
CCCC(NC(=O)C1=CC=NC(N(C)C)=C1)C1=N[N-]N=N1	REAL250004605572	1	39	-1.0	-47.02	324.41	3.48	-43.54
CCCC(NC(=O)C(C)OC1CCCC1)C1=N[N-]N=N1	REAL250004605573	0	42	-1.0	-49.12	334.23	4.33	-44.79
CCCC(NC(=O)C(C)OC1CCCC1)C1=NN=N[N-]1	REAL250004605573	1	42	-1.0	-49.13	334.29	4.35	-44.78
CCCC(NC(=O)C1CC2CCC1O2)C1=N[N-]N=N1	REAL250004605574	0	37	-1.0	-44.44	292.56	1.63	-42.81
CCCC(NC(=O)C1CC2CCC1O2)C1=NN=N[N-]1	REAL250004605574	1	37	-1.0	-44.41	292.62	1.65	-42.76
CCCC(NC(=O)C1=NC=CN=C1N)C1=NN=N[N-]1	REAL250004605575	0	32	-1.0	-45.32	276.22	-0.82	-46.14
CCCC(NC(=O)C1=NC=CN=C1N)C1=N[N-]N=N1	REAL250004605575	1	32	-1.0	-45.28	276.17	-0.84	-46.12
CCCC(NC(=O)C(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004605576	0	38	-1.0	-45.24	321.25	4.92	-40.32
CCCC(NC(=O)C(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004605576	1	38	-1.0	-45.22	321.31	4.93	-40.29
CCCC(NC(=O)C(=O)NC1CC1)C1=N[N-]N=N1	REAL250004605577	0	33	-1.0	-41.11	287.78	-0.15	-41.26
CCCC(NC(=O)C(=O)NC1CC1)C1=NN=N[N-]1	REAL250004605577	1	33	-1.0	-41.14	287.84	-0.14	-41.28
CCCC(NC(=O)C1=C(C)N(C)N=N1)C1=N[N-]N=N1	REAL250004605578	0	34	-1.0	-47.17	291.93	0.46	-46.71
CCCC(NC(=O)C1=C(C)N(C)N=N1)C1=NN=N[N-]1	REAL250004605578	1	34	-1.0	-47.17	291.99	0.47	-46.70
CCCC(NC(=O)C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL250004605579	0	35	-1.0	-47.58	306.82	4.04	-43.54
CCCC(NC(=O)C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL250004605579	1	35	-1.0	-47.59	306.89	4.06	-43.53
CCCC(NC(=O)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004605580	0	40	-1.0	-44.94	315.64	3.77	-41.17
CCCC(NC(=O)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004605580	1	40	-1.0	-44.94	315.70	3.78	-41.16
CCCC(NC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004605581	0	31	-1.0	-43.32	288.32	2.41	-40.91
CCCC(NC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004605581	1	31	-1.0	-43.34	288.26	2.39	-40.95
CCCC(NC(=O)C1=CC2=C(C=CO2)S1)C1=N[N-]N=N1	REAL250004605582	0	32	-1.0	-47.28	293.92	2.95	-44.33
CCCC(NC(=O)C1=CC2=C(C=CO2)S1)C1=NN=N[N-]1	REAL250004605582	1	32	-1.0	-47.30	293.97	2.96	-44.34
CCCC(NC(=O)CC1(O)CCCC1)C1=N[N-]N=N1	REAL250004605583	0	39	-1.0	-43.21	308.56	1.89	-41.32
CCCC(NC(=O)CC1(O)CCCC1)C1=NN=N[N-]1	REAL250004605583	1	39	-1.0	-43.18	308.62	1.91	-41.27
CCCC(NC(=O)C1CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605584	0	36	-1.0	-46.33	303.97	4.85	-41.48
CCCC(NC(=O)C1CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605584	1	36	-1.0	-46.34	304.03	4.86	-41.48
CCCC(NC(=O)C(C)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004605585	0	41	-1.0	-45.87	336.26	5.50	-40.37
CCCC(NC(=O)C(C)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004605585	1	41	-1.0	-45.88	336.32	5.52	-40.36
CCCC(NC(=O)C(C)C1=CSC=C1)C1=N[N-]N=N1	REAL250004605586	0	35	-1.0	-44.82	305.92	3.86	-40.96
CCCC(NC(=O)C(C)C1=CSC=C1)C1=NN=N[N-]1	REAL250004605586	1	35	-1.0	-44.82	305.97	3.87	-40.95
CCCC(NC(=O)C1=C(CC)OC=N1)C1=NN=N[N-]1	REAL250004605587	0	34	-1.0	-46.60	292.85	-0.17	-46.77
CCCC(NC(=O)C1=C(CC)OC=N1)C1=N[N-]N=N1	REAL250004605587	1	34	-1.0	-46.62	292.79	-0.18	-46.80
CCCC(NC(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL250004605589	0	34	-1.0	-58.48	298.18	2.63	-55.85
CCCC(NC(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL250004605589	1	34	-1.0	-58.46	298.12	2.62	-55.84
CCCCSCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605590	0	41	-1.0	-43.15	348.11	5.01	-38.14
CCCCSCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605590	1	41	-1.0	-43.18	348.17	5.03	-38.15
CCCC(NC(=O)C=CC1CCCCC1)C1=N[N-]N=N1	REAL250004605591	0	42	-1.0	-45.08	336.00	5.22	-39.86
CCCC(NC(=O)C=CC1CCCCC1)C1=NN=N[N-]1	REAL250004605591	1	42	-1.0	-45.10	336.06	5.24	-39.86
CCCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1=N[N-]N=N1	REAL250004605592	0	39	-1.0	-53.10	333.76	-2.98	-56.08
CCCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1=NN=N[N-]1	REAL250004605592	1	39	-1.0	-53.14	333.81	-2.97	-56.11
CCCC(NC(=O)C(C)OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004605593	0	38	-1.0	-50.72	319.58	3.06	-47.66
CCCC(NC(=O)C(C)OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004605593	1	38	-1.0	-50.75	319.52	3.05	-47.70
CCCC(NC(=O)C=C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004605594	0	42	-1.0	-44.71	330.38	5.04	-39.67
CCCC(NC(=O)C=C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605594	1	42	-1.0	-44.67	330.44	5.06	-39.61
CCCC(NC(=O)CCCCSC)C1=N[N-]N=N1	REAL250004605595	0	38	-1.0	-44.99	326.64	4.10	-40.89
CCCC(NC(=O)CCCCSC)C1=NN=N[N-]1	REAL250004605595	1	38	-1.0	-45.02	326.70	4.11	-40.91
CCCC(NC(=O)C1=CC=NC(OCC)=C1)C1=NN=N[N-]1	REAL250004605596	0	38	-1.0	-47.00	323.59	1.29	-45.71
CCCC(NC(=O)C1=CC=NC(OCC)=C1)C1=N[N-]N=N1	REAL250004605596	1	38	-1.0	-46.98	323.53	1.28	-45.70
CCCC(NC(=O)CC1CCOC1)C1=N[N-]N=N1	REAL250004605597	0	36	-1.0	-47.33	293.27	1.37	-45.96
CCCC(NC(=O)CC1CCOC1)C1=NN=N[N-]1	REAL250004605597	1	36	-1.0	-47.35	293.33	1.39	-45.96
CCCC(NC(=O)C1=NC(C)=NC=C1Cl)C1=N[N-]N=N1	REAL250004605598	0	33	-1.0	-43.34	301.12	2.17	-41.17
CCCC(NC(=O)C1=NC(C)=NC=C1Cl)C1=NN=N[N-]1	REAL250004605598	1	33	-1.0	-43.32	301.18	2.19	-41.13
CCCC(NC(=O)C1=C2C=CC=CN2C(C)=N1)C1=N[N-]N=N1	REAL250004605599	0	38	-1.0	-56.63	324.00	4.75	-51.88
CCCC(NC(=O)C1=C2C=CC=CN2C(C)=N1)C1=NN=N[N-]1	REAL250004605599	1	38	-1.0	-56.60	324.06	4.76	-51.84
CCCC(NC(=O)C1=C(N)C(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004605600	0	34	-1.0	-40.87	294.38	-3.78	-44.65
CCCC(NC(=O)C1=C(N)C(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004605600	1	34	-1.0	-40.89	294.44	-3.76	-44.65
CCCC(NC(=O)C1=CCCCO1)C1=N[N-]N=N1	REAL250004605601	0	34	-1.0	-45.09	283.30	2.04	-43.05
CCCC(NC(=O)C1=CCCCO1)C1=NN=N[N-]1	REAL250004605601	1	34	-1.0	-45.08	283.36	2.06	-43.02
CCCC(NC(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004605602	0	41	-1.0	-45.32	314.39	4.33	-40.99
CCCC(NC(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605602	1	41	-1.0	-45.31	314.45	4.35	-40.96
CCCC(NC(=O)C1=CC=C(OC)N=N1)C1=NN=N[N-]1	REAL250004605604	0	34	-1.0	-43.90	298.84	-0.98	-44.88
CCCC(NC(=O)C1=CC=C(OC)N=N1)C1=N[N-]N=N1	REAL250004605604	1	34	-1.0	-43.91	298.78	-0.99	-44.90
CCCC(NC(=O)C1=CC=NC=C1F)C1=NN=N[N-]1	REAL250004605605	0	31	-1.0	-48.09	274.18	1.95	-46.14
CCCC(NC(=O)C1=CC=NC=C1F)C1=N[N-]N=N1	REAL250004605605	1	31	-1.0	-48.10	274.12	1.94	-46.16
CCCC(NC(=O)CC1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL250004605606	0	41	-1.0	-46.56	341.81	5.74	-40.82
CCCC(NC(=O)CC1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL250004605606	1	41	-1.0	-46.54	341.87	5.75	-40.79
CCCC(NC(=O)C(O)C1CCOCC1)C1=N[N-]N=N1	REAL250004605608	0	40	-1.0	-41.92	317.32	-0.72	-42.64
CCCC(NC(=O)C(O)C1CCOCC1)C1=NN=N[N-]1	REAL250004605608	1	40	-1.0	-41.98	317.37	-0.70	-42.68
CCCC(NC(=O)C1CCCCCCC1)C1=N[N-]N=N1	REAL250004605610	0	44	-1.0	-45.12	321.54	4.75	-40.37
CCCC(NC(=O)C1CCCCCCC1)C1=NN=N[N-]1	REAL250004605610	1	44	-1.0	-45.13	321.60	4.76	-40.37
CCCC(NC(=O)C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004605611	0	35	-1.0	-47.95	298.76	3.44	-44.51
CCCC(NC(=O)C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004605611	1	35	-1.0	-47.97	298.82	3.45	-44.52
CCCC(NC(=O)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL250004605612	0	35	-1.0	-44.29	302.11	4.35	-39.94
CCCC(NC(=O)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL250004605612	1	35	-1.0	-44.30	302.17	4.36	-39.94
CCCC(NC(=O)CCC1CCC(C)O1)C1=N[N-]N=N1	REAL250004605613	0	42	-1.0	-47.15	338.08	3.18	-43.97
CCCC(NC(=O)CCC1CCC(C)O1)C1=NN=N[N-]1	REAL250004605613	1	42	-1.0	-47.15	338.13	3.20	-43.95
CCCC(NC(=O)CC(C)(C)CC)C1=N[N-]N=N1	REAL250004605614	0	40	-1.0	-44.07	306.32	3.68	-40.39
CCCC(NC(=O)CC(C)(C)CC)C1=NN=N[N-]1	REAL250004605614	1	40	-1.0	-44.05	306.38	3.70	-40.35
CCCC(NC(=O)C1CCCS1)C1=N[N-]N=N1	REAL250004605615	0	33	-1.0	-44.24	283.82	2.95	-41.29
CCCC(NC(=O)C1CCCS1)C1=NN=N[N-]1	REAL250004605615	1	33	-1.0	-44.26	283.88	2.97	-41.29
CCCC(NC(=O)C1=NOC(COC)=C1)C1=N[N-]N=N1	REAL250004605616	0	35	-1.0	-45.21	308.60	0.77	-44.44
CCCC(NC(=O)C1=NOC(COC)=C1)C1=NN=N[N-]1	REAL250004605616	1	35	-1.0	-45.22	308.66	0.78	-44.44
CCCC1=NC=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL250004605617	0	37	-1.0	-45.01	325.63	3.02	-41.99
CCCC1=NC=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL250004605617	1	37	-1.0	-45.01	325.69	3.04	-41.97
CCCC(NC(=O)C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004605618	0	31	-1.0	-45.46	282.24	2.38	-43.08
CCCC(NC(=O)C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004605618	1	31	-1.0	-45.46	282.19	2.36	-43.10
CCCC(NC(=O)CCC1CCOCC1)C1=N[N-]N=N1	REAL250004605619	0	42	-1.0	-46.89	332.24	2.88	-44.01
CCCC(NC(=O)CCC1CCOCC1)C1=NN=N[N-]1	REAL250004605619	1	42	-1.0	-46.88	332.29	2.89	-43.99
CCCC(NC(=O)C(C)C1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004605620	0	38	-1.0	-48.71	320.66	4.29	-44.42
CCCC(NC(=O)C(C)C1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004605620	1	38	-1.0	-48.70	320.72	4.31	-44.39
CCCC(NC(=O)C1CN(C)CCO1)C1=N[N-]N=N1	REAL250004605621	0	38	-1.0	-47.65	309.03	0.08	-47.57
CCCC(NC(=O)C1CN(C)CCO1)C1=NN=N[N-]1	REAL250004605621	1	38	-1.0	-47.69	309.09	0.09	-47.60
CCCC(NC(=O)C1=C(C)N=C(C)O1)C1=N[N-]N=N1	REAL250004605622	0	34	-1.0	-44.61	293.27	-0.31	-44.92
CCCC(NC(=O)C1=C(C)N=C(C)O1)C1=NN=N[N-]1	REAL250004605622	1	34	-1.0	-44.63	293.33	-0.29	-44.92
CCCC(NC(=O)CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004605623	0	35	-1.0	-57.65	293.17	2.28	-55.37
CCCC(NC(=O)CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004605623	1	35	-1.0	-57.63	293.23	2.30	-55.33
CCCC(NC(=O)C1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004605624	0	32	-1.0	-49.13	292.68	4.18	-44.95
CCCC(NC(=O)C1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004605624	1	32	-1.0	-49.15	292.74	4.19	-44.96
CCCC(NC(=O)CSC1=NNC(C)=N1)C1=N[N-]N=N1	REAL250004605625	0	35	-1.0	-50.13	317.60	1.81	-48.32
CCCC(NC(=O)CSC1=NNC(C)=N1)C1=NN=N[N-]1	REAL250004605625	1	35	-1.0	-50.16	317.66	1.82	-48.34
CCCC(NC(=O)CCCC1CCCC1)C1=N[N-]N=N1	REAL250004605626	0	44	-1.0	-45.29	346.12	5.47	-39.82
CCCC(NC(=O)CCCC1CCCC1)C1=NN=N[N-]1	REAL250004605626	1	44	-1.0	-45.27	346.17	5.49	-39.78
CCCC(NC(=O)C1=NN(C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004605627	0	39	-1.0	-50.44	330.21	3.39	-47.05
CCCC(NC(=O)C1=NN(C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004605627	1	39	-1.0	-50.42	330.27	3.41	-47.01
CCCCCCC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605628	0	46	-1.0	-45.24	362.58	5.72	-39.52
CCCCCCC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605628	1	46	-1.0	-45.23	362.64	5.74	-39.49
CCCC(NC(=O)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004605629	0	31	-1.0	-45.70	274.29	2.34	-43.36
CCCC(NC(=O)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004605629	1	31	-1.0	-45.70	274.35	2.35	-43.35
CCCCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605630	0	46	-1.0	-44.85	359.85	5.66	-39.19
CCCCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605630	1	46	-1.0	-44.87	359.91	5.67	-39.20
CCCC(NC(=O)C1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004605631	0	32	-1.0	-49.03	278.93	0.50	-48.53
CCCC(NC(=O)C1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004605631	1	32	-1.0	-49.06	278.98	0.51	-48.55
CCCC(NC(=O)CCC1CCC1)C1=N[N-]N=N1	REAL250004605632	0	38	-1.0	-45.24	308.64	4.16	-41.08
CCCC(NC(=O)CCC1CCC1)C1=NN=N[N-]1	REAL250004605632	1	38	-1.0	-45.23	308.70	4.18	-41.05
CCCC(NC(=O)C(C)C1CCCC1)C1=N[N-]N=N1	REAL250004605633	0	41	-1.0	-45.98	319.89	4.50	-41.48
CCCC(NC(=O)C(C)C1CCCC1)C1=NN=N[N-]1	REAL250004605633	1	41	-1.0	-46.01	319.95	4.52	-41.49
CCCC(NC(=O)C1=CC=C(C)C=C1F)C1=N[N-]N=N1	REAL250004605634	0	35	-1.0	-51.25	300.25	4.37	-46.88
CCCC(NC(=O)C1=CC=C(C)C=C1F)C1=NN=N[N-]1	REAL250004605634	1	35	-1.0	-51.25	300.30	4.38	-46.87
CCCC(NC(=O)C1=CC(C(N)=O)=CN1)C1=N[N-]N=N1	REAL250004605635	0	34	-1.0	-58.54	298.40	-1.82	-60.36
CCCC(NC(=O)C1=CC(C(N)=O)=CN1)C1=NN=N[N-]1	REAL250004605635	1	34	-1.0	-58.55	298.46	-1.81	-60.36
CCCC(NC(=O)C1=CSC=C1C)C1=N[N-]N=N1	REAL250004605636	0	32	-1.0	-46.09	282.52	3.22	-42.87
CCCC(NC(=O)C1=CSC=C1C)C1=NN=N[N-]1	REAL250004605636	1	32	-1.0	-46.11	282.58	3.24	-42.87
CCCC(NC(=O)C1=C2NC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004605637	0	36	-1.0	-47.76	303.47	3.83	-43.93
CCCC(NC(=O)C1=C2NC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004605637	1	36	-1.0	-47.76	303.41	3.81	-43.95
CCCC(NC(=O)CC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004605638	0	35	-1.0	-45.72	310.78	4.40	-41.32
CCCC(NC(=O)CC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004605638	1	35	-1.0	-45.73	310.84	4.40	-41.33
CCCC(NC(=O)C1=CC=C(C#N)S1)C1=N[N-]N=N1	REAL250004605639	0	30	-1.0	-42.98	288.06	3.20	-39.78
CCCC(NC(=O)C1=CC=C(C#N)S1)C1=NN=N[N-]1	REAL250004605639	1	30	-1.0	-42.97	288.12	3.21	-39.76
CCCC(NC(=O)C1=C(C)C=C(C)O1)C1=N[N-]N=N1	REAL250004605640	0	35	-1.0	-45.86	298.33	3.14	-42.72
CCCC(NC(=O)C1=C(C)C=C(C)O1)C1=NN=N[N-]1	REAL250004605640	1	35	-1.0	-45.90	298.38	3.17	-42.73
CCCC(NC(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL250004605641	0	35	-1.0	-56.05	312.50	-3.00	-59.05
CCCC(NC(=O)C1=CN(CC(N)=O)N=N1)C1=N[N-]N=N1	REAL250004605641	1	35	-1.0	-56.07	312.44	-3.02	-59.09
CCCC(NC(=O)CCN1C=CC=C1)C1=N[N-]N=N1	REAL250004605642	0	36	-1.0	-43.09	306.11	4.16	-38.93
CCCC(NC(=O)CCN1C=CC=C1)C1=NN=N[N-]1	REAL250004605642	1	36	-1.0	-43.08	306.17	4.19	-38.89
CCCC(NC(=O)C1CCC2=CNN=C2C1)C1=N[N-]N=N1	REAL250004605643	0	39	-1.0	-46.89	318.28	2.37	-44.52
CCCC(NC(=O)C1CCC2=CNN=C2C1)C1=NN=N[N-]1	REAL250004605643	1	39	-1.0	-46.86	318.34	2.38	-44.48
C#CCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL250004605644	0	38	-1.0	-48.38	331.34	4.41	-43.97
C#CCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL250004605644	1	38	-1.0	-48.40	331.40	4.43	-43.97
C=CCOCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605645	0	39	-1.0	-47.90	328.84	2.69	-45.21
C=CCOCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605645	1	39	-1.0	-47.90	328.90	2.71	-45.19
CCCC(NC(=O)C1CC1C1CCCCC1)C1=N[N-]N=N1	REAL250004605646	0	45	-1.0	-46.29	346.30	5.91	-40.38
CCCC(NC(=O)C1CC1C1CCCCC1)C1=NN=N[N-]1	REAL250004605646	1	45	-1.0	-46.30	346.36	5.93	-40.37
CCCC(NC(=O)CCNC(=O)CC(C)C)C1=N[N-]N=N1	REAL250004605647	0	44	-1.0	-53.74	358.23	1.79	-51.95
CCCC(NC(=O)CCNC(=O)CC(C)C)C1=NN=N[N-]1	REAL250004605647	1	44	-1.0	-53.73	358.29	1.80	-51.93
CCCC(NC(=O)C1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL250004605648	0	34	-1.0	-45.52	290.79	2.50	-43.02
CCCC(NC(=O)C1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL250004605648	1	34	-1.0	-45.56	290.73	2.48	-43.08
CCCC(NC(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004605649	0	37	-1.0	-51.86	310.20	4.11	-47.75
CCCC(NC(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004605649	1	37	-1.0	-51.86	310.14	4.10	-47.76
CCCC(NC(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL250004605650	0	31	-1.0	-42.36	278.54	2.46	-39.90
CCCC(NC(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL250004605650	1	31	-1.0	-42.32	278.60	2.48	-39.84
CCCC(NC(=O)C1CC12CCOCC2)C1=N[N-]N=N1	REAL250004605651	0	40	-1.0	-47.16	322.04	2.66	-44.50
CCCC(NC(=O)C1CC12CCOCC2)C1=NN=N[N-]1	REAL250004605651	1	40	-1.0	-47.18	322.09	2.68	-44.50
CCCC(NC(=O)C1=C(C)N=CO1)C1=N[N-]N=N1	REAL250004605652	0	31	-1.0	-44.89	271.26	-1.06	-45.95
CCCC(NC(=O)C1=C(C)N=CO1)C1=NN=N[N-]1	REAL250004605652	1	31	-1.0	-44.92	271.32	-1.04	-45.96
CCCC(NC(=O)[C@@H]1CCCCN1C)C1=N[N-]N=N1	REAL250004605653	0	40	-1.0	-45.91	313.48	1.43	-44.48
CCCC(NC(=O)[C@@H]1CCCCN1C)C1=NN=N[N-]1	REAL250004605653	1	40	-1.0	-45.84	313.53	1.45	-44.39
CCCC(NC(=O)CC1CCCCCC1)C1=N[N-]N=N1	REAL250004605654	0	44	-1.0	-45.23	330.47	4.97	-40.26
CCCC(NC(=O)CC1CCCCCC1)C1=NN=N[N-]1	REAL250004605654	1	44	-1.0	-45.22	330.53	4.98	-40.24
CCCC(NC(=O)C1=CC(C#N)=CN1)C1=N[N-]N=N1	REAL250004605655	0	31	-1.0	-49.39	282.49	1.89	-47.50
CCCC(NC(=O)C1=CC(C#N)=CN1)C1=NN=N[N-]1	REAL250004605655	1	31	-1.0	-49.40	282.55	1.90	-47.50
CCCC(NC(=O)C#CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605656	0	34	-1.0	-46.51	306.09	4.98	-41.53
CCCC(NC(=O)C#CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605656	1	34	-1.0	-46.50	306.14	5.01	-41.49
CCCC(NC(=O)C(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004605657	0	38	-1.0	-49.34	319.70	2.67	-46.67
CCCC(NC(=O)C(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004605657	1	38	-1.0	-49.38	319.65	2.65	-46.73
CCCC(NC(=O)C1=CN2N=NN=C2C=C1)C1=NN=N[N-]1	REAL250004605658	0	33	-1.0	-46.44	290.79	1.76	-44.68
CCCC(NC(=O)C1=CN2N=NN=C2C=C1)C1=N[N-]N=N1	REAL250004605658	1	33	-1.0	-46.38	290.73	1.74	-44.64
CCCC(NC(=O)CCC1=COC=C1)C1=N[N-]N=N1	REAL250004605659	0	35	-1.0	-45.54	301.06	3.05	-42.49
CCCC(NC(=O)CCC1=COC=C1)C1=NN=N[N-]1	REAL250004605659	1	35	-1.0	-45.55	301.12	3.07	-42.48
CCCC(NC(=O)CCC1CCCOC1)C1=N[N-]N=N1	REAL250004605660	0	42	-1.0	-45.26	332.16	2.89	-42.37
CCCC(NC(=O)CCC1CCCOC1)C1=NN=N[N-]1	REAL250004605660	1	42	-1.0	-45.26	332.22	2.90	-42.36
CCCC(NC(=O)C1=NC=CC=C1C)C1=NN=N[N-]1	REAL250004605661	0	34	-1.0	-47.50	287.63	2.59	-44.91
CCCC(NC(=O)C1=NC=CC=C1C)C1=N[N-]N=N1	REAL250004605661	1	34	-1.0	-47.49	287.57	2.58	-44.91
CCCC(NC(=O)C1CSCCS1)C1=N[N-]N=N1	REAL250004605662	0	34	-1.0	-45.72	302.68	3.36	-42.36
CCCC(NC(=O)C1CSCCS1)C1=NN=N[N-]1	REAL250004605662	1	34	-1.0	-45.72	302.74	3.38	-42.34
CCCC(NC(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL250004605663	0	43	-1.0	-44.47	347.54	1.63	-42.84
CCCC(NC(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL250004605663	1	43	-1.0	-44.49	347.59	1.64	-42.85
CCCC(NC(=O)C1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004605664	0	41	-1.0	-45.20	317.13	4.38	-40.82
CCCC(NC(=O)C1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004605664	1	41	-1.0	-45.18	317.19	4.41	-40.77
CCCC(NC(=O)C1=CC(C)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004605665	0	35	-1.0	-47.05	305.52	4.41	-42.64
CCCC(NC(=O)C1=CC(C)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004605665	1	35	-1.0	-47.03	305.58	4.42	-42.61
CCCC(NC(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004605666	0	32	-1.0	-49.30	291.41	3.83	-45.47
CCCC(NC(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004605666	1	32	-1.0	-49.26	291.47	3.84	-45.42
CCCC(NC(=O)CCC1=NN=CN1)C1=N[N-]N=N1	REAL250004605667	0	34	-1.0	-51.06	294.31	2.51	-48.55
CCCC(NC(=O)CCC1=NN=CN1)C1=NN=N[N-]1	REAL250004605667	1	34	-1.0	-51.08	294.37	2.52	-48.56
CCCC(NC(=O)CS(=O)(=O)NC)C1=N[N-]N=N1	REAL250004605668	0	33	-1.0	-56.91	295.33	-3.27	-60.18
CCCC(NC(=O)CS(=O)(=O)NC)C1=NN=N[N-]1	REAL250004605668	1	33	-1.0	-56.91	295.38	-3.25	-60.16
CCCC(NC(=O)C1=CNC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004605669	0	35	-1.0	-47.65	300.79	0.31	-47.34
CCCC(NC(=O)C1=CNC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004605669	1	35	-1.0	-47.69	300.85	0.33	-47.36
CCCC(NC(=O)CCC1CCOC1)C1=N[N-]N=N1	REAL250004605670	0	39	-1.0	-45.90	314.36	2.09	-43.81
CCCC(NC(=O)CCC1CCOC1)C1=NN=N[N-]1	REAL250004605670	1	39	-1.0	-45.92	314.41	2.10	-43.82
CCCC(NC(=O)C1=CC(C#N)=CS1)C1=N[N-]N=N1	REAL250004605671	0	30	-1.0	-46.71	287.34	3.02	-43.69
CCCC(NC(=O)C1=CC(C#N)=CS1)C1=NN=N[N-]1	REAL250004605671	1	30	-1.0	-46.73	287.40	3.03	-43.70
CCCC(NC(=O)C1=CC(C(C)C)=NN1C)C1=N[N-]N=N1	REAL250004605672	0	41	-1.0	-44.07	337.06	3.22	-40.85
CCCC(NC(=O)C1=CC(C(C)C)=NN1C)C1=NN=N[N-]1	REAL250004605672	1	41	-1.0	-44.07	337.12	3.23	-40.84
CCCC(NC(=O)C1=NN(C)C(C(C)C)=C1)C1=N[N-]N=N1	REAL250004605673	0	41	-1.0	-50.19	340.03	3.16	-47.03
CCCC(NC(=O)C1=NN(C)C(C(C)C)=C1)C1=NN=N[N-]1	REAL250004605673	1	41	-1.0	-50.17	340.09	3.17	-47.00
CCCC(NC(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004605674	1	28	-1.0	-41.25	262.30	1.79	-39.46
CCCC(NC(=O)CN1C=CN=N1)C1=NN=N[N-]1	REAL250004605675	0	31	-1.0	-59.22	273.05	0.45	-58.77
CCCC(NC(=O)CN1C=CN=N1)C1=N[N-]N=N1	REAL250004605675	1	31	-1.0	-59.21	272.99	0.43	-58.78
CCCC(NC(=O)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL250004605676	0	30	-1.0	-43.38	279.34	2.25	-41.13
CCCC(NC(=O)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL250004605676	1	30	-1.0	-43.34	279.29	2.24	-41.10
CCCC(NC(=O)C1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004605677	0	32	-1.0	-48.69	286.01	1.02	-47.67
CCCC(NC(=O)C1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004605677	1	32	-1.0	-48.74	286.07	1.04	-47.70
CCCC(NC(=O)C(C)CS(C)(=O)=O)C1=N[N-]N=N1	REAL250004605678	0	37	-1.0	-49.20	316.41	-0.36	-49.56
CCCC(NC(=O)C(C)CS(C)(=O)=O)C1=NN=N[N-]1	REAL250004605678	1	37	-1.0	-49.19	316.47	-0.34	-49.53
CCCC(NC(=O)C1=CC(OC)=CS1)C1=N[N-]N=N1	REAL250004605679	0	33	-1.0	-46.33	296.93	1.96	-44.37
CCCC(NC(=O)C1=CC(OC)=CS1)C1=NN=N[N-]1	REAL250004605679	1	33	-1.0	-46.33	296.99	1.98	-44.35
CCCC(NC(=O)CCCCCC(C)C)C1=N[N-]N=N1	REAL250004605680	0	46	-1.0	-45.06	363.97	5.71	-39.35
CCCC(NC(=O)CCCCCC(C)C)C1=NN=N[N-]1	REAL250004605680	1	46	-1.0	-45.10	364.02	5.72	-39.38
CCCC(NC(=O)CCC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004605681	0	38	-1.0	-46.40	322.99	4.04	-42.36
CCCC(NC(=O)CCC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004605681	1	38	-1.0	-46.44	323.04	4.05	-42.39
CCCC(NC(=O)C1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL250004605682	0	35	-1.0	-45.86	303.75	0.49	-45.37
CCCC(NC(=O)C1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL250004605682	1	35	-1.0	-45.87	303.69	0.48	-45.39
CCCC(NC(=O)COC1CCOC1)C1=N[N-]N=N1	REAL250004605683	0	37	-1.0	-52.24	308.94	1.09	-51.15
CCCC(NC(=O)COC1CCOC1)C1=NN=N[N-]1	REAL250004605683	1	37	-1.0	-52.25	309.00	1.11	-51.14
CCCC(NC(=O)C1CC12CCCC2)C1=N[N-]N=N1	REAL250004605684	0	39	-1.0	-46.21	311.92	4.60	-41.61
CCCC(NC(=O)C1CC12CCCC2)C1=NN=N[N-]1	REAL250004605684	1	39	-1.0	-46.23	311.97	4.62	-41.61
CCCC(NC(=O)C1=CSC(C=O)=C1)C1=N[N-]N=N1	REAL250004605685	0	31	-1.0	-45.88	288.67	2.38	-43.50
CCCC(NC(=O)C1=CSC(C=O)=C1)C1=NN=N[N-]1	REAL250004605685	1	31	-1.0	-45.92	288.73	2.40	-43.52
CCCC(NC(=O)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004605686	0	32	-1.0	-43.55	278.87	2.77	-40.78
CCCC(NC(=O)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004605686	1	32	-1.0	-43.57	278.93	2.78	-40.79
CCCC(NC(=O)C1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004605687	0	32	-1.0	-55.44	279.27	0.53	-54.91
CCCC(NC(=O)C1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004605687	1	32	-1.0	-55.43	279.33	0.55	-54.88
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL250004605688	0	36	-1.0	-45.25	309.98	2.99	-42.26
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL250004605688	1	36	-1.0	-45.22	310.04	3.00	-42.22
CCCC(NC(=O)CC1=NNC(C)=C1)C1=N[N-]N=N1	REAL250004605689	0	35	-1.0	-53.83	299.90	1.30	-52.53
CCCC(NC(=O)CC1=NNC(C)=C1)C1=NN=N[N-]1	REAL250004605689	1	35	-1.0	-53.83	299.96	1.32	-52.51
CCCC(NC(=O)CC1=CC(C)=NN1)C1=N[N-]N=N1	REAL250004605689	1	35	-1.0	-48.80	300.76	1.20	-47.60
CCCC(NC(=O)CC1=CC(C)=NN1)C1=NN=N[N-]1	REAL250004605689	1	35	-1.0	-48.80	300.81	1.22	-47.58
CCCC(NC(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004605690	0	32	-1.0	-51.30	295.03	4.18	-47.12
CCCC(NC(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004605690	1	32	-1.0	-51.26	295.09	4.20	-47.06
CCCC(NC(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004605691	0	35	-1.0	-44.12	310.79	4.40	-39.72
CCCC(NC(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004605691	1	35	-1.0	-44.14	310.84	4.41	-39.73
CCCC(NC(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004605692	0	35	-1.0	-45.42	311.63	4.42	-41.00
CCCC(NC(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004605692	1	35	-1.0	-45.44	311.69	4.43	-41.01
CCCC(NC(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004605693	0	35	-1.0	-48.42	309.55	4.35	-44.07
CCCC(NC(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004605693	1	35	-1.0	-48.40	309.61	4.36	-44.04
CCCC(NC(=O)CC(C)COC)C1=N[N-]N=N1	REAL250004605694	0	38	-1.0	-46.89	310.06	1.79	-45.10
CCCC(NC(=O)CC(C)COC)C1=NN=N[N-]1	REAL250004605694	1	38	-1.0	-46.90	310.12	1.80	-45.10
CCCC(NC(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605695	0	42	-1.0	-46.28	346.64	6.55	-39.73
CCCC(NC(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605695	1	42	-1.0	-46.27	346.68	6.56	-39.71
CCCC(NC(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004605696	0	35	-1.0	-46.17	310.67	4.38	-41.79
CCCC(NC(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004605696	1	35	-1.0	-46.18	310.73	4.40	-41.78
CCCC(NC(=O)CCOC(C)CC(C)C)C1=N[N-]N=N1	REAL250004605697	0	47	-1.0	-43.78	374.22	4.23	-39.55
CCCC(NC(=O)CCOC(C)CC(C)C)C1=NN=N[N-]1	REAL250004605697	1	47	-1.0	-43.77	374.28	4.25	-39.52
CCCC(NC(=O)CC1CCCCO1)C1=N[N-]N=N1	REAL250004605698	0	39	-1.0	-49.46	313.02	3.21	-46.25
CCCC(NC(=O)CC1CCCCO1)C1=NN=N[N-]1	REAL250004605698	1	39	-1.0	-49.45	313.08	3.23	-46.22
CCCC(NC(=O)CCC(=O)N(CC)CC)C1=N[N-]N=N1	REAL250004605699	0	44	-1.0	-45.54	358.07	3.51	-42.03
CCCC(NC(=O)CCC(=O)N(CC)CC)C1=NN=N[N-]1	REAL250004605699	1	44	-1.0	-45.55	358.12	3.52	-42.03
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004605700	0	35	-1.0	-44.26	312.43	4.79	-39.47
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004605700	1	35	-1.0	-44.26	312.49	4.80	-39.46
CCCC(NC(=O)CC1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL250004605701	0	37	-1.0	-47.31	324.39	2.66	-44.65
CCCC(NC(=O)CC1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL250004605701	1	37	-1.0	-47.30	324.45	2.67	-44.63
CCCC(NC(=O)CN1C=C(C(C)O)N=N1)C1=N[N-]N=N1	REAL250004605702	0	38	-1.0	-58.44	326.32	-1.55	-59.99
CCCC(NC(=O)CN1C=C(C(C)O)N=N1)C1=NN=N[N-]1	REAL250004605702	1	38	-1.0	-58.49	326.38	-1.54	-60.03
CCCC(NC(=O)C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL250004605703	0	38	-1.0	-43.79	316.30	2.94	-40.85
CCCC(NC(=O)C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL250004605703	1	38	-1.0	-43.79	316.25	2.93	-40.86
CCCC(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004605704	0	34	-1.0	-46.84	293.75	2.51	-44.33
CCCC(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004605704	1	34	-1.0	-46.84	293.81	2.52	-44.32
CCCC(NC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004605705	0	36	-1.0	-48.34	309.94	1.44	-46.90
CCCC(NC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004605705	1	36	-1.0	-48.35	310.00	1.46	-46.89
CCCC(NC(=O)CN1CCC(C)CC1)C1=N[N-]N=N1	REAL250004605706	1	43	-1.0	-46.50	335.62	2.36	-44.14
CCCC(NC(=O)CN1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605706	1	43	-1.0	-46.48	335.68	2.37	-44.11
CCCC(NC(=O)C1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004605707	0	36	-1.0	-45.52	297.41	-0.13	-45.65
CCCC(NC(=O)C1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004605707	1	36	-1.0	-45.53	297.47	-0.11	-45.64
CCCC(NC(=O)C1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004605708	0	44	-1.0	-44.65	334.05	4.75	-39.90
CCCC(NC(=O)C1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004605708	1	44	-1.0	-44.67	334.11	4.77	-39.90
CCCC(NC(=O)CC(C)C(=O)OC)C1=N[N-]N=N1	REAL250004605709	0	37	-1.0	-43.18	310.83	2.70	-40.48
CCCC(NC(=O)CC(C)C(=O)OC)C1=NN=N[N-]1	REAL250004605709	1	37	-1.0	-43.19	310.89	2.72	-40.47
CCCC(NC(=O)C(F)=C1CCCC1)C1=N[N-]N=N1	REAL250004605710	0	36	-1.0	-42.62	299.67	3.99	-38.63
CCCC(NC(=O)C(F)=C1CCCC1)C1=NN=N[N-]1	REAL250004605710	1	36	-1.0	-42.62	299.73	4.01	-38.61
CCCC(NC(=O)C1=CC=CC=C1CC)C1=N[N-]N=N1	REAL250004605711	0	38	-1.0	-46.25	308.62	5.04	-41.21
CCCC(NC(=O)C1=CC=CC=C1CC)C1=NN=N[N-]1	REAL250004605711	1	38	-1.0	-46.28	308.68	5.04	-41.24
CCCC(NC(=O)C1CCCC2=NNC=C21)C1=N[N-]N=N1	REAL250004605712	0	39	-1.0	-45.99	311.18	2.48	-43.51
CCCC(NC(=O)C1CCCC2=NNC=C21)C1=NN=N[N-]1	REAL250004605712	1	39	-1.0	-46.01	311.23	2.49	-43.52
CCCC(NC(=O)C1=CC=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL250004605713	0	35	-1.0	-42.82	315.49	2.45	-40.37
CCCC(NC(=O)C1=CC=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL250004605713	1	35	-1.0	-42.79	315.54	2.46	-40.33
CCCC(NC(=O)C1=CC(F)=C(C)C=C1F)C1=N[N-]N=N1	REAL250004605714	0	35	-1.0	-47.10	305.52	4.40	-42.70
CCCC(NC(=O)C1=CC(F)=C(C)C=C1F)C1=NN=N[N-]1	REAL250004605714	1	35	-1.0	-47.14	305.58	4.42	-42.72
CCCC(NC(=O)C1CC1(C)CC)C1=N[N-]N=N1	REAL250004605715	0	38	-1.0	-45.19	303.10	3.95	-41.24
CCCC(NC(=O)C1CC1(C)CC)C1=NN=N[N-]1	REAL250004605715	1	38	-1.0	-45.20	303.14	3.96	-41.24
CCCC(NC(=O)C1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL250004605716	0	35	-1.0	-50.49	297.58	4.01	-46.48
CCCC(NC(=O)C1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL250004605716	1	35	-1.0	-50.52	297.64	4.03	-46.49
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004605717	0	32	-1.0	-41.90	296.86	4.19	-37.71
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004605717	1	32	-1.0	-41.87	296.92	4.21	-37.66
CCCC(NC(=O)C1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004605718	0	31	-1.0	-43.39	275.76	1.92	-41.47
CCCC(NC(=O)C1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004605718	1	31	-1.0	-43.37	275.71	1.91	-41.46
CCCC(NC(=O)C=C(CC)CC)C1=N[N-]N=N1	REAL250004605719	0	38	-1.0	-44.41	308.63	4.10	-40.31
CCCC(NC(=O)C=C(CC)CC)C1=NN=N[N-]1	REAL250004605719	1	38	-1.0	-44.40	308.69	4.11	-40.29
CCCC(NC(=O)C1=CNC(=O)C=C1C)C1=N[N-]N=N1	REAL250004605720	0	35	-1.0	-48.82	295.28	1.24	-47.58
CCCC(NC(=O)C1=CNC(=O)C=C1C)C1=NN=N[N-]1	REAL250004605720	1	35	-1.0	-48.83	295.34	1.25	-47.58
CCCC(NC(=O)CC(O)(CCC)CCC)C1=N[N-]N=N1	REAL250004605721	0	47	-1.0	-47.61	360.24	3.26	-44.35
CCCC(NC(=O)CC(O)(CCC)CCC)C1=NN=N[N-]1	REAL250004605721	1	47	-1.0	-47.61	360.30	3.27	-44.34
CCCC(NC(=O)C1=CC=CC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004605722	0	40	-1.0	-47.60	331.64	3.72	-43.88
CCCC(NC(=O)C1=CC=CC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004605722	1	40	-1.0	-47.60	331.70	3.74	-43.86
CCCC(NC(=O)CN1C=NC(C#N)=N1)C1=NN=N[N-]1	REAL250004605723	0	32	-1.0	-58.69	295.26	2.61	-56.08
CCCC(NC(=O)CN1C=NC(C#N)=N1)C1=N[N-]N=N1	REAL250004605723	1	32	-1.0	-58.68	295.21	2.60	-56.08
CCCC(NC(=O)C1=CN=C(C2CC2)N1)C1=N[N-]N=N1	REAL250004605724	0	36	-1.0	-46.25	308.30	2.54	-43.71
CCCC(NC(=O)C1=CN=C(C2CC2)N1)C1=NN=N[N-]1	REAL250004605724	1	36	-1.0	-46.24	308.36	2.56	-43.68
CCCC(NC(=O)C1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL250004605725	0	35	-1.0	-44.23	309.72	4.71	-39.52
CCCC(NC(=O)C1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL250004605725	1	35	-1.0	-44.29	309.77	4.72	-39.57
CCCC(NC(=O)CC1CCC(C)C1)C1=N[N-]N=N1	REAL250004605726	0	41	-1.0	-45.82	323.17	4.58	-41.24
CCCC(NC(=O)CC1CCC(C)C1)C1=NN=N[N-]1	REAL250004605726	1	41	-1.0	-45.84	323.23	4.60	-41.24
CCCC(NC(=O)CC(CC)CC)C1=N[N-]N=N1	REAL250004605727	0	40	-1.0	-44.91	313.39	3.95	-40.96
CCCC(NC(=O)CC(CC)CC)C1=NN=N[N-]1	REAL250004605727	1	40	-1.0	-44.89	313.45	3.96	-40.93
CC=C(C=CC(=O)NC(CCC)C1=N[N-]N=N1)CC	REAL250004605728	0	39	-1.0	-45.99	322.86	4.52	-41.47
CC=C(C=CC(=O)NC(CCC)C1=NN=N[N-]1)CC	REAL250004605728	1	39	-1.0	-45.96	322.92	4.54	-41.42
CCCC(NC(=O)C=C1CCC(C)C1)C1=N[N-]N=N1	REAL250004605729	0	39	-1.0	-45.76	314.20	4.56	-41.20
CCCC(NC(=O)C=C1CCC(C)C1)C1=NN=N[N-]1	REAL250004605729	1	39	-1.0	-45.73	314.26	4.57	-41.16
CCCC(NC(=O)C1CCSC1)C1=N[N-]N=N1	REAL250004605730	0	33	-1.0	-42.54	281.44	2.94	-39.60
CCCC(NC(=O)C1CCSC1)C1=NN=N[N-]1	REAL250004605730	1	33	-1.0	-42.59	281.50	2.95	-39.64
CCCC(NC(=O)C(C)=C1CCCC1)C1=N[N-]N=N1	REAL250004605731	0	39	-1.0	-47.03	310.12	4.61	-42.42
CCCC(NC(=O)C(C)=C1CCCC1)C1=NN=N[N-]1	REAL250004605731	1	39	-1.0	-47.04	310.18	4.63	-42.41
CCCC(NC(=O)CC1CCSCC1)C1=N[N-]N=N1	REAL250004605732	0	39	-1.0	-44.43	318.62	4.25	-40.18
CCCC(NC(=O)CC1CCSCC1)C1=NN=N[N-]1	REAL250004605732	1	39	-1.0	-44.43	318.68	4.28	-40.15
CCCC(NC(=O)CC(OCC)C(C)C)C1=N[N-]N=N1	REAL250004605733	0	44	-1.0	-47.54	345.97	4.10	-43.44
CCCC(NC(=O)CC(OCC)C(C)C)C1=NN=N[N-]1	REAL250004605733	1	44	-1.0	-47.58	346.03	4.12	-43.46
CCCC(NC(=O)CN1C=C(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004605734	0	38	-1.0	-59.51	324.86	2.50	-57.01
CCCC(NC(=O)CN1C=C(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004605734	1	38	-1.0	-59.52	324.92	2.52	-57.00
CCCC(NC(=O)CNS(=O)(=O)CC)C1=N[N-]N=N1	REAL250004605735	0	36	-1.0	-55.43	316.87	-2.30	-57.73
CCCC(NC(=O)CNS(=O)(=O)CC)C1=NN=N[N-]1	REAL250004605735	1	36	-1.0	-55.40	316.92	-2.28	-57.68
CCCC(NC(=O)C(C)CC(=O)OC)C1=N[N-]N=N1	REAL250004605736	0	37	-1.0	-43.25	309.72	2.63	-40.62
CCCC(NC(=O)C(C)CC(=O)OC)C1=NN=N[N-]1	REAL250004605736	1	37	-1.0	-43.20	309.78	2.65	-40.55
CCCC(NC(=O)C1=CC(C)=C(C)O1)C1=N[N-]N=N1	REAL250004605737	0	35	-1.0	-46.26	300.06	3.07	-43.19
CCCC(NC(=O)C1=CC(C)=C(C)O1)C1=NN=N[N-]1	REAL250004605737	1	35	-1.0	-46.27	300.11	3.08	-43.19
C=CCC(CC=C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605738	0	39	-1.0	-45.25	324.39	4.32	-40.93
C=CCC(CC=C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605738	1	39	-1.0	-45.29	324.44	4.34	-40.95
CCCC(NC(=O)C1=C(C)C=C(C)N1)C1=N[N-]N=N1	REAL250004605739	0	36	-1.0	-47.37	301.29	2.65	-44.72
CCCC(NC(=O)C1=C(C)C=C(C)N1)C1=NN=N[N-]1	REAL250004605739	1	36	-1.0	-47.39	301.34	2.67	-44.72
CCCC(NC(=O)C1=CC=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004605740	0	36	-1.0	-45.73	318.10	4.94	-40.79
CCCC(NC(=O)C1=CC=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004605740	1	36	-1.0	-45.74	318.16	4.95	-40.79
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004605741	0	32	-1.0	-42.18	297.44	4.19	-37.99
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004605741	1	32	-1.0	-42.21	297.50	4.21	-38.00
CCCC(NC(=O)C1CCC(CC)O1)C1=N[N-]N=N1	REAL250004605742	0	39	-1.0	-49.09	317.19	3.47	-45.62
CCCC(NC(=O)C1CCC(CC)O1)C1=NN=N[N-]1	REAL250004605742	1	39	-1.0	-49.05	317.25	3.48	-45.57
CCCC(NC(=O)CC1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004605743	0	38	-1.0	-57.44	325.24	3.60	-53.84
CCCC(NC(=O)CC1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004605743	1	38	-1.0	-57.43	325.29	3.61	-53.82
CCCC(NC(=O)C1=CC=CC(C)=C1F)C1=N[N-]N=N1	REAL250004605744	0	35	-1.0	-52.13	299.16	4.32	-47.81
CCCC(NC(=O)C1=CC=CC(C)=C1F)C1=NN=N[N-]1	REAL250004605744	1	35	-1.0	-52.12	299.22	4.34	-47.78
CCCC(NC(=O)C(O)CCSC)C1=N[N-]N=N1	REAL250004605745	0	36	-1.0	-45.76	314.93	1.24	-44.52
CCCC(NC(=O)C(O)CCSC)C1=NN=N[N-]1	REAL250004605745	1	36	-1.0	-45.75	314.99	1.25	-44.50
CCCC(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605746	0	36	-1.0	-45.41	307.02	2.34	-43.07
CCCC(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605746	1	36	-1.0	-45.41	307.08	2.36	-43.05
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605747	0	36	-1.0	-45.45	306.53	2.36	-43.09
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605747	1	36	-1.0	-45.45	306.59	2.37	-43.08
CCCC(NC(=O)C(O)C(C)(C)C)C1=N[N-]N=N1	REAL250004605748	0	38	-1.0	-42.46	300.05	0.34	-42.12
CCCC(NC(=O)C(O)C(C)(C)C)C1=NN=N[N-]1	REAL250004605748	1	38	-1.0	-42.41	300.11	0.35	-42.06
CCCC(NC(=O)CC(C)(C)CC(=O)OC)C1=N[N-]N=N1	REAL250004605750	0	43	-1.0	-50.40	338.27	3.72	-46.68
CCCC(NC(=O)CC(C)(C)CC(=O)OC)C1=NN=N[N-]1	REAL250004605750	1	43	-1.0	-50.44	338.33	3.74	-46.70
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004605751	0	38	-1.0	-55.77	322.65	4.97	-50.80
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004605751	1	38	-1.0	-55.71	322.59	4.95	-50.76
CCCC(NC(=O)C=CC1=CC=NN1CC)C1=N[N-]N=N1	REAL250004605752	0	39	-1.0	-46.37	333.06	3.31	-43.06
CCCC(NC(=O)C=CC1=CC=NN1CC)C1=NN=N[N-]1	REAL250004605752	1	39	-1.0	-46.39	333.12	3.33	-43.06
CCCC(NC(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004605753	0	31	-1.0	-48.03	292.99	2.41	-45.62
CCCC(NC(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004605753	1	31	-1.0	-48.03	292.94	2.40	-45.63
CCCC(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=N[N-]N=N1	REAL250004605754	0	31	-1.0	-48.37	279.87	1.71	-46.66
CCCC(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=NN=N[N-]1	REAL250004605754	1	31	-1.0	-48.38	279.93	1.73	-46.65
CCCC(NC(=O)CNC(=O)NC)C1=N[N-]N=N1	REAL250004605755	0	34	-1.0	-45.03	292.43	-2.35	-47.38
CCCC(NC(=O)CNC(=O)NC)C1=NN=N[N-]1	REAL250004605755	1	34	-1.0	-45.04	292.49	-2.33	-47.37
CCCC(NC(=O)C1=CC=C(C)C=N1)C1=NN=N[N-]1	REAL250004605756	0	34	-1.0	-47.38	293.02	2.56	-44.82
CCCC(NC(=O)C1=CC=C(C)C=N1)C1=N[N-]N=N1	REAL250004605756	1	34	-1.0	-47.40	292.96	2.54	-44.86
CCCC(NC(=O)C1=CC=C2N=CNC2=N1)C1=N[N-]N=N1	REAL250004605757	0	34	-1.0	-49.44	297.07	2.58	-46.86
CCCC(NC(=O)C1=CC=C2N=CNC2=N1)C1=NN=N[N-]1	REAL250004605757	1	34	-1.0	-49.43	297.13	2.60	-46.83
CCCC(NC(=O)C1=CC=C2N=CN=C2N1)C1=N[N-]N=N1	REAL250004605757	1	34	-1.0	-46.72	294.70	2.59	-44.13
CCCC(NC(=O)C1=CC=C2N=CN=C2N1)C1=NN=N[N-]1	REAL250004605757	1	34	-1.0	-46.72	294.76	2.60	-44.12
CCCC(NC(=O)C1=NOC(CN(C)C)=C1)C1=N[N-]N=N1	REAL250004605758	0	39	-1.0	-44.39	330.18	0.53	-43.86
CCCC(NC(=O)C1=NOC(CN(C)C)=C1)C1=NN=N[N-]1	REAL250004605758	1	39	-1.0	-44.37	330.24	0.55	-43.82
CCCC(NC(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL250004605759	0	32	-1.0	-48.05	302.35	3.07	-44.98
CCCC(NC(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL250004605759	1	32	-1.0	-48.03	302.41	3.08	-44.95
CCCC(NC(=O)CC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004605760	0	35	-1.0	-49.73	301.58	3.25	-46.48
CCCC(NC(=O)CC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004605760	1	35	-1.0	-49.75	301.64	3.27	-46.48
CCCC(NC(=O)C(CCC)C(C)C)C1=N[N-]N=N1	REAL250004605761	0	43	-1.0	-44.76	327.61	4.68	-40.08
CCCC(NC(=O)C(CCC)C(C)C)C1=NN=N[N-]1	REAL250004605761	1	43	-1.0	-44.79	327.66	4.70	-40.09
CCCC(NC(=O)C1=NOC(C(C)C)=C1)C1=N[N-]N=N1	REAL250004605762	0	37	-1.0	-44.43	317.23	3.13	-41.30
CCCC(NC(=O)C1=NOC(C(C)C)=C1)C1=NN=N[N-]1	REAL250004605762	1	37	-1.0	-44.44	317.28	3.14	-41.30
CCCC(NC(=O)C(O)C(C)CC)C1=N[N-]N=N1	REAL250004605763	0	38	-1.0	-44.20	302.38	0.45	-43.75
CCCC(NC(=O)C(O)C(C)CC)C1=NN=N[N-]1	REAL250004605763	1	38	-1.0	-44.20	302.44	0.47	-43.73
CCCC(NC(=O)C1COCCN1C)C1=N[N-]N=N1	REAL250004605764	0	38	-1.0	-45.10	305.57	-1.01	-46.11
CCCC(NC(=O)C1COCCN1C)C1=NN=N[N-]1	REAL250004605764	1	38	-1.0	-45.06	305.63	-1.00	-46.06
CCCC(NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=N[N-]N=N1	REAL250004605765	0	38	-1.0	-44.18	321.27	4.96	-39.22
CCCC(NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=NN=N[N-]1	REAL250004605765	1	38	-1.0	-44.23	321.32	4.98	-39.25
CCCC(NC(=O)C1=CC=CN1C(C)C)C1=N[N-]N=N1	REAL250004605766	0	39	-1.0	-46.72	319.81	4.48	-42.24
CCCC(NC(=O)C1=CC=CN1C(C)C)C1=NN=N[N-]1	REAL250004605766	1	39	-1.0	-46.77	319.87	4.50	-42.27
CCCC(NC(=O)C1=NC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL250004605767	0	37	-1.0	-62.64	314.32	1.28	-61.36
CCCC(NC(=O)C1=NC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL250004605767	1	37	-1.0	-62.63	314.37	1.29	-61.34
CCCC(NC(=O)CCC1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL250004605768	0	42	-1.0	-47.68	339.14	1.33	-46.35
CCCC(NC(=O)CCC1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL250004605768	1	42	-1.0	-47.71	339.19	1.36	-46.35
CCCC(NC(=O)C1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL250004605769	0	35	-1.0	-43.86	307.10	4.81	-39.05
CCCC(NC(=O)C1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL250004605769	1	35	-1.0	-43.86	307.16	4.83	-39.03
CCCC(NC(=O)C1CCC(=O)C(C)C1)C1=N[N-]N=N1	REAL250004605770	0	40	-1.0	-49.37	322.41	3.62	-45.75
CCCC(NC(=O)C1CCC(=O)C(C)C1)C1=NN=N[N-]1	REAL250004605770	1	40	-1.0	-49.34	322.47	3.64	-45.70
CCCC(NC(=O)C1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL250004605771	0	35	-1.0	-50.15	299.74	3.94	-46.21
CCCC(NC(=O)C1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL250004605771	1	35	-1.0	-50.16	299.68	3.93	-46.23
CCCC(NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=N[N-]N=N1	REAL250004605772	0	47	-1.0	-45.97	355.97	5.59	-40.38
CCCC(NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=NN=N[N-]1	REAL250004605772	1	47	-1.0	-45.97	356.03	5.61	-40.36
CCCC(NC(=O)C(=O)C1=CN(CC)N=C1)C1=N[N-]N=N1	REAL250004605773	0	37	-1.0	-45.70	321.36	2.10	-43.60
CCCC(NC(=O)C(=O)C1=CN(CC)N=C1)C1=NN=N[N-]1	REAL250004605773	1	37	-1.0	-45.71	321.41	2.11	-43.60
CCCC(NC(=O)C1CCC(=O)CC1C)C1=N[N-]N=N1	REAL250004605774	0	40	-1.0	-49.26	313.89	3.37	-45.89
CCCC(NC(=O)C1CCC(=O)CC1C)C1=NN=N[N-]1	REAL250004605774	1	40	-1.0	-49.26	313.95	3.39	-45.87
CCCC(NC(=O)C1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL250004605775	0	35	-1.0	-48.77	305.56	4.70	-44.07
CCCC(NC(=O)C1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL250004605775	1	35	-1.0	-48.78	305.61	4.72	-44.06
CCCC(NC(=O)CC1(C)CCCCC1)C1=N[N-]N=N1	REAL250004605776	0	44	-1.0	-44.31	326.70	4.82	-39.49
CCCC(NC(=O)CC1(C)CCCCC1)C1=NN=N[N-]1	REAL250004605776	1	44	-1.0	-44.31	326.75	4.84	-39.47
CCCC(NC(=O)C1=CC=NN=C1C)C1=N[N-]N=N1	REAL250004605777	0	33	-1.0	-44.36	280.93	1.43	-42.93
CCCC(NC(=O)C1=CC=NN=C1C)C1=NN=N[N-]1	REAL250004605777	1	33	-1.0	-44.36	280.99	1.45	-42.91
CCCC(NC(=O)C1(C)COC(C)(C)OC1)C1=N[N-]N=N1	REAL250004605778	0	43	-1.0	-50.12	334.75	2.61	-47.51
CCCC(NC(=O)C1(C)COC(C)(C)OC1)C1=NN=N[N-]1	REAL250004605778	1	43	-1.0	-50.06	334.81	2.62	-47.44
CCCC(NC(=O)C1=C(C)OCCC1)C1=N[N-]N=N1	REAL250004605779	0	37	-1.0	-46.24	303.98	2.43	-43.81
CCCC(NC(=O)C1=C(C)OCCC1)C1=NN=N[N-]1	REAL250004605779	1	37	-1.0	-46.23	304.04	2.45	-43.78
CCCC(NC(=O)C(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004605780	0	42	-1.0	-45.69	325.32	2.66	-43.03
CCCC(NC(=O)C(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004605780	1	42	-1.0	-45.72	325.38	2.67	-43.05
CCCC(NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=NN=N[N-]1	REAL250004605781	0	38	-1.0	-52.93	323.11	4.03	-48.90
CCCC(NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=N[N-]N=N1	REAL250004605781	1	38	-1.0	-52.99	323.05	4.02	-48.97
CCCC(NC(=O)CN1CCCC1)C1=N[N-]N=N1	REAL250004605782	0	37	-1.0	-45.12	294.89	0.55	-44.57
CCCC(NC(=O)CN1CCCC1)C1=NN=N[N-]1	REAL250004605782	1	37	-1.0	-45.13	294.95	0.58	-44.55
CCCC(NC(=O)CN1CCOCC1)C1=N[N-]N=N1	REAL250004605783	0	38	-1.0	-45.89	305.40	-0.70	-46.59
CCCC(NC(=O)CN1CCOCC1)C1=NN=N[N-]1	REAL250004605783	1	38	-1.0	-45.87	305.46	-0.68	-46.55
CCCC(NC(=O)C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL250004605784	1	44	-1.0	-45.36	345.62	0.75	-44.61
CCCC(NC(=O)C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL250004605784	1	44	-1.0	-45.35	345.69	0.76	-44.59
CCCC(NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004605785	0	34	-1.0	-57.60	303.77	3.04	-54.56
CCCC(NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004605785	1	34	-1.0	-57.56	303.71	3.02	-54.54
CCCC(NC(=O)C1=CC=C(C)C=C1O)C1=N[N-]N=N1	REAL250004605786	0	36	-1.0	-49.78	304.53	2.81	-46.97
CCCC(NC(=O)C1=CC=C(C)C=C1O)C1=NN=N[N-]1	REAL250004605786	1	36	-1.0	-49.80	304.58	2.83	-46.97
CCCC(NC(=O)C1=CC=C(O)C=C1O)C1=N[N-]N=N1	REAL250004605787	0	34	-1.0	-50.18	294.09	-0.67	-50.85
CCCC(NC(=O)C1=CC=C(O)C=C1O)C1=NN=N[N-]1	REAL250004605787	1	34	-1.0	-50.20	294.15	-0.66	-50.86
CCCC(NC(=O)C1=CC(F)=CC=C1O)C1=N[N-]N=N1	REAL250004605788	0	33	-1.0	-46.99	289.54	2.22	-44.77
CCCC(NC(=O)C1=CC(F)=CC=C1O)C1=NN=N[N-]1	REAL250004605788	1	33	-1.0	-47.01	289.60	2.23	-44.78
CCCC(NC(=O)C1=CC=CC(CC)=C1O)C1=N[N-]N=N1	REAL250004605789	0	39	-1.0	-48.14	324.83	3.61	-44.53
CCCC(NC(=O)C1=CC=CC(CC)=C1O)C1=NN=N[N-]1	REAL250004605789	1	39	-1.0	-48.16	324.89	3.62	-44.54
CCCC(NC(=O)C1=CC=C(C)C(O)=C1O)C1=N[N-]N=N1	REAL250004605790	0	37	-1.0	-49.62	313.89	0.56	-49.06
CCCC(NC(=O)C1=CC=C(C)C(O)=C1O)C1=NN=N[N-]1	REAL250004605790	1	37	-1.0	-49.63	313.95	0.57	-49.06
CCCC(NC(=O)C1=CC=C(C)C(C)=C1O)C1=N[N-]N=N1	REAL250004605791	0	39	-1.0	-50.16	320.15	3.40	-46.76
CCCC(NC(=O)C1=CC=C(C)C(C)=C1O)C1=NN=N[N-]1	REAL250004605791	1	39	-1.0	-50.15	320.21	3.41	-46.74
C=CC(CC(=O)NC(CCC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004605792	0	42	-1.0	-44.23	348.22	6.12	-38.11
C=CC(CC(=O)NC(CCC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004605792	1	42	-1.0	-44.16	348.28	6.15	-38.01
CCCC(NC(=O)C1=C(O)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004605793	0	33	-1.0	-52.24	304.53	1.10	-51.14
CCCC(NC(=O)C1=C(O)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004605793	1	33	-1.0	-52.26	304.58	1.11	-51.15
CCCC(NC(=O)C1=CC(CC)=CC=C1O)C1=N[N-]N=N1	REAL250004605794	0	39	-1.0	-49.10	326.02	3.59	-45.51
CCCC(NC(=O)C1=CC(CC)=CC=C1O)C1=NN=N[N-]1	REAL250004605794	1	39	-1.0	-49.16	326.08	3.60	-45.56
CCCC(NC(=O)CC(C)SC)C1=N[N-]N=N1	REAL250004605795	0	35	-1.0	-45.47	299.46	3.11	-42.36
CCCC(NC(=O)CC(C)SC)C1=NN=N[N-]1	REAL250004605795	1	35	-1.0	-45.46	299.51	3.12	-42.34
CCCC(NC(=O)C1=CC=CC(=O)N1C)C1=N[N-]N=N1	REAL250004605796	0	35	-1.0	-47.41	293.45	2.30	-45.11
CCCC(NC(=O)C1=CC=CC(=O)N1C)C1=NN=N[N-]1	REAL250004605796	1	35	-1.0	-47.37	293.50	2.31	-45.06
CCCC(NC(=O)CN(C)C1CCSC1)C1=N[N-]N=N1	REAL250004605797	1	41	-1.0	-45.07	329.07	1.90	-43.17
CCCC(NC(=O)CN(C)C1CCSC1)C1=NN=N[N-]1	REAL250004605797	1	41	-1.0	-45.09	329.13	1.92	-43.17
CCCC(NC(=O)C1=CN=C2C=CC(C)=CN12)C1=NN=N[N-]1	REAL250004605798	0	38	-1.0	-50.38	321.13	4.59	-45.79
CCCC(NC(=O)C1=CN=C2C=CC(C)=CN12)C1=N[N-]N=N1	REAL250004605798	1	38	-1.0	-50.40	321.07	4.57	-45.83
CCCC(NC(=O)C1(NC(N)=O)CC1)C1=N[N-]N=N1	REAL250004605799	0	35	-1.0	-53.21	302.29	-2.48	-55.69
CCCC(NC(=O)C1(NC(N)=O)CC1)C1=NN=N[N-]1	REAL250004605799	1	35	-1.0	-53.20	302.35	-2.46	-55.66
CCCC(NC(=O)C1=CN=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL250004605800	0	38	-1.0	-48.39	320.65	1.56	-46.83
CCCC(NC(=O)C1=CN=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL250004605800	1	38	-1.0	-48.35	320.59	1.54	-46.81
CCCC(NC(=O)CN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004605801	0	35	-1.0	-55.92	307.52	2.75	-53.17
CCCC(NC(=O)CN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004605801	1	35	-1.0	-55.92	307.58	2.77	-53.15
CCCC(NC(=O)C1=CC=NC(Cl)=C1F)C1=NN=N[N-]1	REAL250004605802	0	31	-1.0	-48.36	290.51	2.38	-45.98
CCCC(NC(=O)C1=CC=NC(Cl)=C1F)C1=N[N-]N=N1	REAL250004605802	1	31	-1.0	-48.37	290.45	2.36	-46.01
CCCC(NC(=O)C1=CN(CCC)N=N1)C1=NN=N[N-]1	REAL250004605803	0	37	-1.0	-46.00	318.49	1.57	-44.43
CCCC(NC(=O)C1=CN(CCC)N=N1)C1=N[N-]N=N1	REAL250004605803	1	37	-1.0	-46.00	318.43	1.55	-44.45
CCCC(NC(=O)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL250004605804	0	35	-1.0	-43.52	296.75	4.35	-39.17
CCCC(NC(=O)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL250004605804	1	35	-1.0	-43.54	296.81	4.37	-39.17
CCCC(NC(=O)C(CC)SC)C1=N[N-]N=N1	REAL250004605805	0	35	-1.0	-44.02	300.06	3.31	-40.71
CCCC(NC(=O)C(CC)SC)C1=NN=N[N-]1	REAL250004605805	1	35	-1.0	-44.05	300.12	3.33	-40.72
CCCC(NC(=O)C(C)N1C=CC=C1)C1=N[N-]N=N1	REAL250004605806	0	36	-1.0	-46.31	302.22	4.05	-42.26
CCCC(NC(=O)C(C)N1C=CC=C1)C1=NN=N[N-]1	REAL250004605806	1	36	-1.0	-46.34	302.28	4.08	-42.26
CCCC(NC(=O)C1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL250004605807	0	39	-1.0	-48.02	319.00	4.50	-43.52
CCCC(NC(=O)C1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL250004605807	1	39	-1.0	-48.02	319.06	4.51	-43.51
CCCC(NC(=O)CN(CC)C1CC1)C1=N[N-]N=N1	REAL250004605808	1	40	-1.0	-44.86	316.86	1.83	-43.03
CCCC(NC(=O)CN(CC)C1CC1)C1=NN=N[N-]1	REAL250004605808	1	40	-1.0	-44.85	316.92	1.84	-43.01
CCCC(NC(=O)C1=CN=C(C(C)C)S1)C1=N[N-]N=N1	REAL250004605809	0	37	-1.0	-45.26	324.91	2.85	-42.41
CCCC(NC(=O)C1=CN=C(C(C)C)S1)C1=NN=N[N-]1	REAL250004605809	1	37	-1.0	-45.26	324.97	2.86	-42.40
CCCC(NC(=O)C1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004605810	0	35	-1.0	-52.52	300.90	4.18	-48.34
CCCC(NC(=O)C1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004605810	1	35	-1.0	-52.52	300.96	4.19	-48.33
CCCC(NC(=O)CCC(C)(C)C(C)=O)C1=N[N-]N=N1	REAL250004605811	0	42	-1.0	-54.40	334.63	3.50	-50.90
CCCC(NC(=O)CCC(C)(C)C(C)=O)C1=NN=N[N-]1	REAL250004605811	1	42	-1.0	-54.48	334.69	3.51	-50.97
C=CC(=O)NCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605812	0	36	-1.0	-54.50	311.86	0.16	-54.34
C=CC(=O)NCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605812	1	36	-1.0	-54.54	311.92	0.18	-54.36
CCCC(NC(=O)COC1(C)CCC1)C1=N[N-]N=N1	REAL250004605813	0	39	-1.0	-48.28	316.10	3.44	-44.84
CCCC(NC(=O)COC1(C)CCC1)C1=NN=N[N-]1	REAL250004605813	1	39	-1.0	-48.27	316.15	3.45	-44.82
CCCC(NC(=O)C1CCCCO1)C1=N[N-]N=N1	REAL250004605814	0	36	-1.0	-49.03	292.85	2.69	-46.34
CCCC(NC(=O)C1CCCCO1)C1=NN=N[N-]1	REAL250004605814	1	36	-1.0	-49.04	292.91	2.70	-46.34
CCCC(NC(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004605815	0	32	-1.0	-43.92	291.53	3.81	-40.11
CCCC(NC(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004605815	1	32	-1.0	-43.94	291.58	3.83	-40.11
CCCC(NC(=O)C1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004605816	0	33	-1.0	-43.97	297.16	-1.52	-45.49
CCCC(NC(=O)C1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004605816	1	33	-1.0	-43.98	297.22	-1.50	-45.48
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL250004605817	0	39	-1.0	-46.01	329.31	4.22	-41.79
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL250004605817	1	39	-1.0	-45.99	329.25	4.21	-41.78
CCCC(NC(=O)C1CCN(C(=O)CC)C1)C1=N[N-]N=N1	REAL250004605818	0	42	-1.0	-54.95	342.96	2.66	-52.29
CCCC(NC(=O)C1CCN(C(=O)CC)C1)C1=NN=N[N-]1	REAL250004605818	1	42	-1.0	-54.95	343.01	2.68	-52.27
CCCC(NC(=O)C1=C(C)NC(=O)C=C1)C1=N[N-]N=N1	REAL250004605819	0	35	-1.0	-44.35	295.07	1.19	-43.16
CCCC(NC(=O)C1=C(C)NC(=O)C=C1)C1=NN=N[N-]1	REAL250004605819	1	35	-1.0	-44.36	295.13	1.21	-43.15
CCCC(NC(=O)C1NN=C(C)C1=O)C1=N[N-]N=N1	REAL250004605820	0	33	-1.0	-47.86	289.60	-0.93	-48.79
CCCC(NC(=O)C1NN=C(C)C1=O)C1=NN=N[N-]1	REAL250004605820	1	33	-1.0	-47.86	289.65	-0.91	-48.77
CCCC(NC(=O)C1=CC=C(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004605821	0	40	-1.0	-44.94	329.39	3.67	-41.27
CCCC(NC(=O)C1=CC=C(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004605821	1	40	-1.0	-44.95	329.45	3.69	-41.26
CCCC(NC(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004605822	0	47	-1.0	-45.45	352.74	5.46	-39.99
CCCC(NC(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004605822	1	47	-1.0	-45.47	352.80	5.48	-39.99
CCCC(NC(=O)C1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL250004605823	0	37	-1.0	-45.68	314.83	4.03	-41.65
CCCC(NC(=O)C1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL250004605823	1	37	-1.0	-45.65	314.89	4.04	-41.61
CCCC(NC(=O)COC(C)CC)C1=N[N-]N=N1	REAL250004605824	0	38	-1.0	-48.21	314.52	3.17	-45.04
CCCC(NC(=O)COC(C)CC)C1=NN=N[N-]1	REAL250004605824	1	38	-1.0	-48.26	314.58	3.19	-45.07
CCCC(NC(=O)CC(O)C(C)C)C1=N[N-]N=N1	REAL250004605825	0	38	-1.0	-48.09	307.75	0.95	-47.14
CCCC(NC(=O)CC(O)C(C)C)C1=NN=N[N-]1	REAL250004605825	1	38	-1.0	-48.09	307.81	0.97	-47.12
CCCC(NC(=O)C1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL250004605826	0	35	-1.0	-43.46	307.08	4.81	-38.65
CCCC(NC(=O)C1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL250004605826	1	35	-1.0	-43.44	307.14	4.83	-38.61
CCCC(NC(=O)CC1COC(=O)C1)C1=N[N-]N=N1	REAL250004605828	0	35	-1.0	-45.93	295.95	2.45	-43.48
CCCC(NC(=O)CC1COC(=O)C1)C1=NN=N[N-]1	REAL250004605828	1	35	-1.0	-45.96	296.01	2.48	-43.48
CCCC(NC(=O)C1=CC(C)=NC=N1)C1=N[N-]N=N1	REAL250004605829	0	33	-1.0	-43.82	288.24	2.32	-41.50
CCCC(NC(=O)C1=CC(C)=NC=N1)C1=NN=N[N-]1	REAL250004605829	1	33	-1.0	-43.85	288.30	2.33	-41.52
CCCC(NC(=O)C(F)(F)C1(O)CCC1)C1=N[N-]N=N1	REAL250004605830	0	36	-1.0	-42.30	305.15	0.13	-42.17
CCCC(NC(=O)C(F)(F)C1(O)CCC1)C1=NN=N[N-]1	REAL250004605830	1	36	-1.0	-42.30	305.20	0.14	-42.16
CCCC(NC(=O)CCCNC(=O)OCC)C1=N[N-]N=N1	REAL250004605831	0	42	-1.0	-47.71	353.90	0.76	-46.95
CCCC(NC(=O)CCCNC(=O)OCC)C1=NN=N[N-]1	REAL250004605831	1	42	-1.0	-47.71	353.96	0.77	-46.94
CCCC(NC(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL250004605832	0	47	-1.0	-45.45	345.49	5.19	-40.26
CCCC(NC(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL250004605832	1	47	-1.0	-45.47	345.55	5.21	-40.26
CCCC(NC(=O)C1=CC2=C(C=CO2)N1)C1=N[N-]N=N1	REAL250004605833	0	33	-1.0	-47.78	288.49	1.63	-46.15
CCCC(NC(=O)C1=CC2=C(C=CO2)N1)C1=NN=N[N-]1	REAL250004605833	1	33	-1.0	-47.74	288.54	1.65	-46.09
CCCC(O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605834	0	38	-1.0	-48.33	312.58	1.22	-47.11
CCCC(O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605834	1	38	-1.0	-48.32	312.64	1.23	-47.09
CCCC(NC(=O)C1=CC2=CN=CN2C=C1)C1=N[N-]N=N1	REAL250004605835	0	35	-1.0	-49.46	301.51	5.06	-44.40
CCCC(NC(=O)C1=CC2=CN=CN2C=C1)C1=NN=N[N-]1	REAL250004605835	1	35	-1.0	-49.44	301.57	5.08	-44.36
CCCC(NC(=O)C(C)N1CCSCC1)C1=N[N-]N=N1	REAL250004605836	0	41	-1.0	-45.46	327.70	1.92	-43.54
CCCC(NC(=O)C(C)N1CCSCC1)C1=NN=N[N-]1	REAL250004605836	1	41	-1.0	-45.43	327.76	1.93	-43.50
CCCC(NC(=O)C1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL250004605837	0	39	-1.0	-47.80	318.37	3.00	-44.80
CCCC(NC(=O)C1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL250004605837	1	39	-1.0	-47.82	318.43	3.02	-44.80
CCCC(NC(=O)C1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL250004605838	0	34	-1.0	-43.68	302.46	2.91	-40.77
CCCC(NC(=O)C1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL250004605838	1	34	-1.0	-43.75	302.52	2.93	-40.82
CCCC(NC(=O)C1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL250004605839	0	34	-1.0	-46.95	301.76	2.15	-44.80
CCCC(NC(=O)C1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL250004605839	1	34	-1.0	-46.92	301.82	2.16	-44.76
CCCC(NC(=O)C1=C(CC)N=CS1)C1=N[N-]N=N1	REAL250004605840	0	34	-1.0	-45.20	299.95	2.11	-43.09
CCCC(NC(=O)C1=C(CC)N=CS1)C1=NN=N[N-]1	REAL250004605840	1	34	-1.0	-45.21	300.00	2.12	-43.09
CCCC(NC(=O)C1=CC=C(C#N)N1)C1=N[N-]N=N1	REAL250004605841	0	31	-1.0	-43.41	282.72	1.71	-41.70
CCCC(NC(=O)C1=CC=C(C#N)N1)C1=NN=N[N-]1	REAL250004605841	1	31	-1.0	-43.42	282.78	1.72	-41.70
CCCC(NC(=O)C1=C2N=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004605842	0	35	-1.0	-59.98	299.53	3.44	-56.54
CCCC(NC(=O)C1=C2N=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004605842	1	35	-1.0	-60.00	299.48	3.43	-56.57
CCCC(NC(=O)C(C#N)=COCC)C1=N[N-]N=N1	REAL250004605843	0	34	-1.0	-44.66	304.53	2.02	-42.64
CCCC(NC(=O)C(C#N)=COCC)C1=NN=N[N-]1	REAL250004605843	1	34	-1.0	-44.67	304.58	2.04	-42.63
CCCC(NC(=O)CCCN1C=CC=C1)C1=N[N-]N=N1	REAL250004605844	0	39	-1.0	-48.96	327.61	4.98	-43.98
CCCC(NC(=O)CCCN1C=CC=C1)C1=NN=N[N-]1	REAL250004605844	1	39	-1.0	-48.98	327.67	4.99	-43.99
CCCC(NC(=O)C1CCOC(CCC)C1)C1=N[N-]N=N1	REAL250004605845	0	45	-1.0	-48.20	348.53	3.73	-44.47
CCCC(NC(=O)C1CCOC(CCC)C1)C1=NN=N[N-]1	REAL250004605845	1	45	-1.0	-48.17	348.59	3.75	-44.42
CCCC(NC(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL250004605846	0	38	-1.0	-46.86	331.80	4.81	-42.05
CCCC(NC(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL250004605846	1	38	-1.0	-46.87	331.86	4.83	-42.04
CCCC(NC(=O)COCC(F)(F)F)C1=N[N-]N=N1	REAL250004605847	0	32	-1.0	-50.70	293.05	2.09	-48.61
CCCC(NC(=O)COCC(F)(F)F)C1=NN=N[N-]1	REAL250004605847	1	32	-1.0	-50.72	293.11	2.11	-48.61
CCCC(NC(=O)C1=COC(CC)=N1)C1=N[N-]N=N1	REAL250004605848	0	34	-1.0	-45.55	296.78	-0.28	-45.83
CCCC(NC(=O)C1=COC(CC)=N1)C1=NN=N[N-]1	REAL250004605848	1	34	-1.0	-45.54	296.84	-0.27	-45.81
CCCC(NC(=O)C1=NC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL250004605849	0	33	-1.0	-45.71	291.35	0.26	-45.45
CCCC(NC(=O)C1=NC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL250004605849	1	33	-1.0	-45.74	291.40	0.27	-45.47
CCCC(NC(=O)C=CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL250004605850	0	38	-1.0	-46.75	321.55	3.57	-43.18
CCCC(NC(=O)C=CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL250004605850	1	38	-1.0	-46.79	321.61	3.58	-43.21
CCCC(NC(=O)CCCC(=O)OC)C1=N[N-]N=N1	REAL250004605852	0	37	-1.0	-53.12	315.87	2.89	-50.23
CCCC(NC(=O)CCCC(=O)OC)C1=NN=N[N-]1	REAL250004605852	1	37	-1.0	-53.09	315.93	2.92	-50.17
CCCC(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004605853	0	31	-1.0	-43.42	277.98	1.99	-41.43
CCCC(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004605853	1	31	-1.0	-43.40	277.92	1.97	-41.43
CCCC(NC(=O)C1=CC=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004605854	0	38	-1.0	-45.58	319.24	3.88	-41.70
CCCC(NC(=O)C1=CC=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004605854	1	38	-1.0	-45.59	319.30	3.89	-41.70
CCCC(NC(=O)[C@H](OC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605855	0	39	-1.0	-50.14	330.73	4.45	-45.69
CCCC(NC(=O)[C@H](OC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605855	1	39	-1.0	-50.18	330.79	4.47	-45.71
CCCC(NC(=O)C(C)=C(C)CC)C1=N[N-]N=N1	REAL250004605856	0	38	-1.0	-45.29	303.15	4.01	-41.28
CCCC(NC(=O)C(C)=C(C)CC)C1=NN=N[N-]1	REAL250004605856	1	38	-1.0	-45.32	303.21	4.03	-41.29
CCCC(NC(=O)C1=CSN=C1C)C1=N[N-]N=N1	REAL250004605857	0	31	-1.0	-43.57	276.61	1.88	-41.69
CCCC(NC(=O)C1=CSN=C1C)C1=NN=N[N-]1	REAL250004605857	1	31	-1.0	-43.59	276.67	1.89	-41.70
CCCC(NC(=O)C1=CC2=NNN=C2N=C1)C1=N[N-]N=N1	REAL250004605858	0	33	-1.0	-45.51	289.17	0.18	-45.33
CCCC(NC(=O)C1=CC2=NNN=C2N=C1)C1=NN=N[N-]1	REAL250004605858	1	33	-1.0	-45.54	289.23	0.19	-45.35
CCCC(NC(=O)C1CCCCS1)C1=N[N-]N=N1	REAL250004605859	0	36	-1.0	-44.88	301.89	3.60	-41.28
CCCC(NC(=O)C1CCCCS1)C1=NN=N[N-]1	REAL250004605859	1	36	-1.0	-44.89	301.94	3.61	-41.28
CCCC(NC(=O)CN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004605860	0	38	-1.0	-51.96	326.64	5.36	-46.60
CCCC(NC(=O)CN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004605860	1	38	-1.0	-51.96	326.69	5.38	-46.58
CCCC(NC(=O)CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004605861	0	36	-1.0	-56.82	306.60	2.04	-54.78
CCCC(NC(=O)CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004605861	1	36	-1.0	-56.87	306.65	2.06	-54.81
C#CCNC(=O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605862	0	34	-1.0	-56.11	302.26	1.69	-54.42
C#CCNC(=O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605862	1	34	-1.0	-56.11	302.32	1.70	-54.41
CCCC(NC(=O)C1CCCC1C)C1=N[N-]N=N1	REAL250004605863	0	38	-1.0	-45.57	296.94	3.73	-41.84
CCCC(NC(=O)C1CCCC1C)C1=NN=N[N-]1	REAL250004605863	1	38	-1.0	-45.59	297.00	3.75	-41.84
CCCC(NC(=O)C1CCOC1C)C1=N[N-]N=N1	REAL250004605864	0	36	-1.0	-48.03	288.70	1.39	-46.64
CCCC(NC(=O)C1CCOC1C)C1=NN=N[N-]1	REAL250004605864	1	36	-1.0	-48.01	288.77	1.41	-46.60
CCCC(NC(=O)CCCCC(C)CC)C1=N[N-]N=N1	REAL250004605865	0	46	-1.0	-45.12	360.70	5.58	-39.54
CCCC(NC(=O)CCCCC(C)CC)C1=NN=N[N-]1	REAL250004605865	1	46	-1.0	-45.13	360.76	5.60	-39.53
CCCC(NC(=O)CCCCC1=NNN=C1)C1=N[N-]N=N1	REAL250004605866	0	40	-1.0	-47.88	337.11	1.73	-46.15
CCCC(NC(=O)CCCCC1=NNN=C1)C1=NN=N[N-]1	REAL250004605866	1	40	-1.0	-47.85	337.16	1.74	-46.11
CCCC(NC(=O)COCCCOC)C1=N[N-]N=N1	REAL250004605867	0	39	-1.0	-50.36	328.66	1.51	-48.85
CCCC(NC(=O)COCCCOC)C1=NN=N[N-]1	REAL250004605867	1	39	-1.0	-50.34	328.71	1.53	-48.81
CCCCCC(CC)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605868	0	46	-1.0	-45.46	356.94	5.46	-40.00
CCCCCC(CC)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605868	1	46	-1.0	-45.46	356.99	5.48	-39.98
CCCC(NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=N[N-]N=N1	REAL250004605869	0	38	-1.0	-44.58	315.15	5.41	-39.17
CCCC(NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=NN=N[N-]1	REAL250004605869	1	38	-1.0	-44.62	315.20	5.42	-39.20
CCCC(NC(=O)C1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004605870	0	32	-1.0	-47.93	292.42	1.58	-46.35
CCCC(NC(=O)C1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004605870	1	32	-1.0	-47.91	292.36	1.56	-46.35
C=CCCOCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605871	0	45	-1.0	-45.20	371.75	4.26	-40.94
C=CCCOCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605871	1	45	-1.0	-45.21	371.80	4.28	-40.93
CCCC(NC(=O)C1CCC=CO1)C1=N[N-]N=N1	REAL250004605872	0	34	-1.0	-47.78	284.51	2.97	-44.81
CCCC(NC(=O)C1CCC=CO1)C1=NN=N[N-]1	REAL250004605872	1	34	-1.0	-47.77	284.57	2.98	-44.79
CCCC(NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004605873	0	38	-1.0	-48.17	307.79	2.76	-45.41
CCCC(NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004605873	1	38	-1.0	-48.15	307.85	2.77	-45.38
CCCC(NC(=O)C1=CNC(C#N)=C1)C1=N[N-]N=N1	REAL250004605874	0	31	-1.0	-50.41	282.43	1.75	-48.66
CCCC(NC(=O)C1=CNC(C#N)=C1)C1=NN=N[N-]1	REAL250004605874	1	31	-1.0	-50.44	282.49	1.77	-48.67
CCCC(NC(=O)C(C)CCCOC)C1=N[N-]N=N1	REAL250004605875	0	41	-1.0	-45.21	331.76	2.45	-42.76
CCCC(NC(=O)C(C)CCCOC)C1=NN=N[N-]1	REAL250004605875	1	41	-1.0	-45.19	331.81	2.47	-42.72
CCCC(NC(=O)C(F)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605876	0	38	-1.0	-47.00	326.63	5.11	-41.89
CCCC(NC(=O)C(F)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605876	1	38	-1.0	-46.97	326.69	5.13	-41.84
CCCC(NC(=O)CC1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL250004605878	0	39	-1.0	-50.13	330.02	2.20	-47.93
CCCC(NC(=O)CC1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL250004605878	1	39	-1.0	-50.15	330.07	2.21	-47.94
CCCC(NC(=O)CSC1=NN=NN1C)C1=NN=N[N-]1	REAL250004605879	0	34	-1.0	-45.06	312.20	0.90	-44.16
CCCC(NC(=O)CSC1=NN=NN1C)C1=N[N-]N=N1	REAL250004605879	1	34	-1.0	-45.05	312.14	0.89	-44.16
CCCC(NC(=O)C1=CC(CC)=CC=N1)C1=N[N-]N=N1	REAL250004605880	0	37	-1.0	-47.72	314.49	3.32	-44.40
CCCC(NC(=O)C1=CC(CC)=CC=N1)C1=NN=N[N-]1	REAL250004605880	1	37	-1.0	-47.73	314.55	3.34	-44.39
CCCC(NC(=O)CC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL250004605881	0	41	-1.0	-46.96	333.01	5.33	-41.63
CCCC(NC(=O)CC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL250004605881	1	41	-1.0	-46.94	333.07	5.35	-41.59
CCCC(NC(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL250004605882	0	39	-1.0	-46.19	335.49	5.16	-41.03
CCCC(NC(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL250004605882	1	39	-1.0	-46.21	335.55	5.18	-41.03
CCCC(NC(=O)C1=CC=C(C)N=C1OC)C1=N[N-]N=N1	REAL250004605883	0	38	-1.0	-51.67	320.92	2.20	-49.47
CCCC(NC(=O)C1=CC=C(C)N=C1OC)C1=NN=N[N-]1	REAL250004605883	1	38	-1.0	-51.65	320.97	2.22	-49.43
CCCC(NC(=O)C=C1CCSCC1)C1=N[N-]N=N1	REAL250004605884	0	37	-1.0	-43.98	309.77	4.03	-39.95
CCCC(NC(=O)C=C1CCSCC1)C1=NN=N[N-]1	REAL250004605884	1	37	-1.0	-43.98	309.83	4.05	-39.93
CCCC(CCC)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605885	0	46	-1.0	-45.76	352.44	5.39	-40.37
CCCC(CCC)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605885	1	46	-1.0	-45.74	352.49	5.40	-40.34
CCCC(NC(=O)CCCC(F)(F)F)C1=N[N-]N=N1	REAL250004605886	0	34	-1.0	-47.56	300.04	3.25	-44.31
CCCC(NC(=O)CCCC(F)(F)F)C1=NN=N[N-]1	REAL250004605886	1	34	-1.0	-47.55	300.10	3.26	-44.29
CCCC(=CC(=O)NC(CCC)C1=N[N-]N=N1)CCC	REAL250004605887	0	44	-1.0	-44.40	351.63	5.64	-38.76
CCCC(=CC(=O)NC(CCC)C1=NN=N[N-]1)CCC	REAL250004605887	1	44	-1.0	-44.42	351.69	5.66	-38.76
CCCC(NC(=O)C1=CC=C(O)C(C)=C1)C1=N[N-]N=N1	REAL250004605888	0	36	-1.0	-46.91	305.31	1.54	-45.37
CCCC(NC(=O)C1=CC=C(O)C(C)=C1)C1=NN=N[N-]1	REAL250004605888	1	36	-1.0	-46.90	305.37	1.55	-45.35
CCCC(NC(=O)C1=CC=C2C=CNC2=N1)C1=NN=N[N-]1	REAL250004605889	0	35	-1.0	-49.88	302.77	2.99	-46.89
CCCC(NC(=O)C1=CC=C2C=CNC2=N1)C1=N[N-]N=N1	REAL250004605889	1	35	-1.0	-49.89	302.71	2.97	-46.92
CCCC(NC(=O)C1=CC(C)=CC(O)=C1)C1=N[N-]N=N1	REAL250004605890	0	36	-1.0	-47.60	306.72	1.43	-46.17
CCCC(NC(=O)C1=CC(C)=CC(O)=C1)C1=NN=N[N-]1	REAL250004605890	1	36	-1.0	-47.59	306.78	1.44	-46.15
CCCC(NC(=O)CCC(C)SC)C1=N[N-]N=N1	REAL250004605891	0	38	-1.0	-44.11	321.39	3.85	-40.26
CCCC(NC(=O)CCC(C)SC)C1=NN=N[N-]1	REAL250004605891	1	38	-1.0	-44.09	321.44	3.86	-40.23
CCCC(NC(=O)C1=CC=C2C=CC=NN21)C1=NN=N[N-]1	REAL250004605892	0	35	-1.0	-55.88	301.35	3.66	-52.22
CCCC(NC(=O)C1=CC=C2C=CC=NN21)C1=N[N-]N=N1	REAL250004605892	1	35	-1.0	-55.87	301.29	3.64	-52.23
CCCC(NC(=O)C1=CC=C(O)C=C1F)C1=N[N-]N=N1	REAL250004605893	0	33	-1.0	-51.25	289.81	0.86	-50.39
CCCC(NC(=O)C1=CC=C(O)C=C1F)C1=NN=N[N-]1	REAL250004605893	1	33	-1.0	-51.23	289.87	0.88	-50.35
CCCC(NC(=O)C1=CN=C(C)N=C1C)C1=N[N-]N=N1	REAL250004605894	0	36	-1.0	-43.14	302.58	2.25	-40.89
CCCC(NC(=O)C1=CN=C(C)N=C1C)C1=NN=N[N-]1	REAL250004605894	1	36	-1.0	-43.13	302.64	2.27	-40.86
CCCC(NC(=O)C1=CC(=O)NC(CC)=C1)C1=N[N-]N=N1	REAL250004605895	0	38	-1.0	-51.83	322.14	1.83	-50.00
CCCC(NC(=O)C1=CC(=O)NC(CC)=C1)C1=NN=N[N-]1	REAL250004605895	1	38	-1.0	-51.88	322.20	1.84	-50.04
CCCC(NC(=O)C1=CN(C)N=C1CC)C1=N[N-]N=N1	REAL250004605896	0	38	-1.0	-49.59	318.92	2.69	-46.90
CCCC(NC(=O)C1=CN(C)N=C1CC)C1=NN=N[N-]1	REAL250004605896	1	38	-1.0	-49.62	318.98	2.71	-46.91
CCCC(NC(=O)C1=CC2=C(CCC2)N1)C1=N[N-]N=N1	REAL250004605897	0	37	-1.0	-48.24	307.11	3.26	-44.98
CCCC(NC(=O)C1=CC2=C(CCC2)N1)C1=NN=N[N-]1	REAL250004605897	1	37	-1.0	-48.24	307.17	3.28	-44.96
CCCC(NC(=O)C1=C(C)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004605898	0	41	-1.0	-46.94	337.29	3.41	-43.53
CCCC(NC(=O)C1=C(C)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004605898	1	41	-1.0	-46.94	337.35	3.43	-43.51
CCCC(NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL250004605899	0	42	-1.0	-46.50	351.64	6.13	-40.37
CCCC(NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL250004605899	1	42	-1.0	-46.48	351.69	6.15	-40.33
CCCC(NC(=O)C1=CC(C(=O)OC)=NO1)C1=NN=N[N-]1	REAL250004605900	0	34	-1.0	-41.40	310.17	1.64	-39.76
CCCC(NC(=O)C1=CC(C(=O)OC)=NO1)C1=N[N-]N=N1	REAL250004605900	1	34	-1.0	-41.38	310.11	1.63	-39.75
CCCC(NC(=O)CN(C)C(=O)COC)C1=N[N-]N=N1	REAL250004605901	0	39	-1.0	-60.88	329.53	1.55	-59.33
CCCC(NC(=O)CN(C)C(=O)COC)C1=NN=N[N-]1	REAL250004605901	1	39	-1.0	-60.89	329.58	1.57	-59.32
CCCC(NC(=O)C1SCCS1)C1=N[N-]N=N1	REAL250004605902	0	31	-1.0	-46.11	282.61	3.01	-43.10
CCCC(NC(=O)C1SCCS1)C1=NN=N[N-]1	REAL250004605902	1	31	-1.0	-46.15	282.66	3.03	-43.12
CCCC(NC(=O)C1=CC(C)=NN=C1C)C1=N[N-]N=N1	REAL250004605903	0	36	-1.0	-44.87	302.56	2.03	-42.84
CCCC(NC(=O)C1=CC(C)=NN=C1C)C1=NN=N[N-]1	REAL250004605903	1	36	-1.0	-44.88	302.62	2.05	-42.83
CCCC(NC(=O)C1=CC=CC(OC)=C1F)C1=N[N-]N=N1	REAL250004605904	0	36	-1.0	-55.15	308.14	3.00	-52.15
CCCC(NC(=O)C1=CC=CC(OC)=C1F)C1=NN=N[N-]1	REAL250004605904	1	36	-1.0	-55.16	308.19	3.01	-52.15
CCCC(NC(=O)C1=CNC2=NC=NC2=C1)C1=N[N-]N=N1	REAL250004605905	0	34	-1.0	-47.11	294.71	2.47	-44.64
CCCC(NC(=O)C1=CNC2=NC=NC2=C1)C1=NN=N[N-]1	REAL250004605905	1	34	-1.0	-47.09	294.77	2.48	-44.61
CCCC(NC(=O)C1=CN=C2NC=NC2=C1)C1=N[N-]N=N1	REAL250004605905	1	34	-1.0	-51.49	294.97	2.50	-48.99
CCCC(NC(=O)C1=CN=C2NC=NC2=C1)C1=NN=N[N-]1	REAL250004605905	1	34	-1.0	-51.45	295.03	2.52	-48.93
CCCC(NC(=O)CC1=NC=C(C)S1)C1=N[N-]N=N1	REAL250004605906	0	34	-1.0	-46.97	305.62	2.20	-44.77
CCCC(NC(=O)CC1=NC=C(C)S1)C1=NN=N[N-]1	REAL250004605906	1	34	-1.0	-46.94	305.68	2.21	-44.73
CCCC(NC(=O)C1CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004605907	0	44	-1.0	-46.17	334.06	4.75	-41.42
CCCC(NC(=O)C1CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004605907	1	44	-1.0	-46.13	334.12	4.76	-41.37
CCCC(NC(=O)C1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL250004605908	0	31	-1.0	-46.20	277.99	1.85	-44.35
CCCC(NC(=O)C1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL250004605908	1	31	-1.0	-46.20	277.93	1.84	-44.36
CCCC(NC(=O)CCCCCCC(C)=O)C1=N[N-]N=N1	REAL250004605909	0	45	-1.0	-48.71	369.60	5.12	-43.59
CCCC(NC(=O)CCCCCCC(C)=O)C1=NN=N[N-]1	REAL250004605909	1	45	-1.0	-48.70	369.66	5.13	-43.57
CCCC(NC(=O)C(OC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605910	0	39	-1.0	-50.23	331.26	4.44	-45.79
CCCC(NC(=O)C(OC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605910	1	39	-1.0	-50.22	331.32	4.46	-45.76
CCCC(NC(=O)C1=CC(=O)NC(C)=C1)C1=N[N-]N=N1	REAL250004605911	0	35	-1.0	-53.27	300.73	1.10	-52.17
CCCC(NC(=O)C1=CC(=O)NC(C)=C1)C1=NN=N[N-]1	REAL250004605911	1	35	-1.0	-53.26	300.79	1.12	-52.14
CCCC(NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL250004605912	0	34	-1.0	-42.53	308.27	1.90	-40.63
CCCC(NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL250004605912	1	34	-1.0	-42.56	308.21	1.88	-40.68
CCCC(NC(=O)C(C)N1C=NC=N1)C1=NN=N[N-]1	REAL250004605913	0	34	-1.0	-52.37	292.55	3.51	-48.86
CCCC(NC(=O)C(C)N1C=NC=N1)C1=N[N-]N=N1	REAL250004605913	1	34	-1.0	-52.37	292.49	3.50	-48.87
CCCC(NC(=O)CC1=NOC(C)=C1C#N)C1=N[N-]N=N1	REAL250004605914	0	35	-1.0	-50.87	317.21	2.90	-47.97
CCCC(NC(=O)CC1=NOC(C)=C1C#N)C1=NN=N[N-]1	REAL250004605914	1	35	-1.0	-50.88	317.25	2.92	-47.96
CCCC(NC(=O)C1CCC2=NNC=C2C1)C1=N[N-]N=N1	REAL250004605915	0	39	-1.0	-47.04	318.27	2.37	-44.67
CCCC(NC(=O)C1CCC2=NNC=C2C1)C1=NN=N[N-]1	REAL250004605915	1	39	-1.0	-47.09	318.33	2.39	-44.70
CCCC(NC(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004605916	0	37	-1.0	-44.26	321.64	3.40	-40.86
CCCC(NC(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004605916	1	37	-1.0	-44.26	321.58	3.39	-40.87
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004605917	0	32	-1.0	-41.82	296.87	4.18	-37.64
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004605917	1	32	-1.0	-41.84	296.93	4.20	-37.64
CCCC(NC(=O)[C@H](C)NC(=O)OC)C1=N[N-]N=N1	REAL250004605918	0	36	-1.0	-45.11	307.97	-0.69	-45.80
CCCC(NC(=O)[C@H](C)NC(=O)OC)C1=NN=N[N-]1	REAL250004605918	1	36	-1.0	-45.10	308.03	-0.67	-45.77
CCCC(NC(=O)C1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL250004605919	0	36	-1.0	-52.31	316.52	4.79	-47.52
CCCC(NC(=O)C1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL250004605919	1	36	-1.0	-52.33	316.58	4.80	-47.53
CCCC(NC(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL250004605920	0	44	-1.0	-47.60	361.47	5.30	-42.30
CCCC(NC(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL250004605920	1	44	-1.0	-47.59	361.53	5.32	-42.27
C#CCOCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605921	0	34	-1.0	-44.91	300.22	1.90	-43.01
C#CCOCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605921	1	34	-1.0	-44.93	300.28	1.91	-43.02
C=C(C)C(CC(=O)NC(CCC)C1=N[N-]N=N1)OCC	REAL250004605922	0	42	-1.0	-47.36	346.83	4.05	-43.31
C=C(C)C(CC(=O)NC(CCC)C1=NN=N[N-]1)OCC	REAL250004605922	1	42	-1.0	-47.35	346.88	4.07	-43.28
CCCC(NC(=O)CC(C)(O)C1CC1)C1=N[N-]N=N1	REAL250004605923	0	39	-1.0	-47.29	310.94	1.72	-45.57
CCCC(NC(=O)CC(C)(O)C1CC1)C1=NN=N[N-]1	REAL250004605923	1	39	-1.0	-47.26	311.00	1.74	-45.52
CCCC(NC(=O)C(C)C(CC)CC)C1=N[N-]N=N1	REAL250004605924	0	43	-1.0	-45.56	326.47	4.29	-41.27
CCCC(NC(=O)C(C)C(CC)CC)C1=NN=N[N-]1	REAL250004605924	1	43	-1.0	-45.56	326.53	4.30	-41.26
CCCC(NC(=O)CCC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004605925	0	41	-1.0	-48.98	340.91	3.31	-45.67
CCCC(NC(=O)CCC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004605925	1	41	-1.0	-48.99	340.96	3.32	-45.67
CCCC(NC(=O)CC1CCC(OC)CC1)C1=N[N-]N=N1	REAL250004605926	0	45	-1.0	-44.75	349.13	3.71	-41.04
CCCC(NC(=O)CC1CCC(OC)CC1)C1=NN=N[N-]1	REAL250004605926	1	45	-1.0	-44.75	349.19	3.73	-41.02
CCCC(NC(=O)C1CCOC(C)C1)C1=N[N-]N=N1	REAL250004605927	0	39	-1.0	-45.08	312.35	2.22	-42.86
CCCC(NC(=O)C1CCOC(C)C1)C1=NN=N[N-]1	REAL250004605927	1	39	-1.0	-45.09	312.41	2.23	-42.86
CCCC(NC(=O)C1CCC(C)C1)C1=N[N-]N=N1	REAL250004605928	0	38	-1.0	-46.29	303.51	3.81	-42.48
CCCC(NC(=O)C1CCC(C)C1)C1=NN=N[N-]1	REAL250004605928	1	38	-1.0	-46.27	303.57	3.82	-42.45
CCCC(NC(=O)C=CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004605929	0	39	-1.0	-49.60	330.64	3.10	-46.50
CCCC(NC(=O)C=CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004605929	1	39	-1.0	-49.58	330.70	3.12	-46.46
CCCC(NC(=O)C1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004605930	0	33	-1.0	-45.13	291.48	0.87	-44.26
CCCC(NC(=O)C1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004605930	1	33	-1.0	-45.11	291.54	0.88	-44.23
CCCC(NC(=O)CC1=NN=C(NC)S1)C1=N[N-]N=N1	REAL250004605931	0	35	-1.0	-49.75	316.73	0.53	-49.22
CCCC(NC(=O)CC1=NN=C(NC)S1)C1=NN=N[N-]1	REAL250004605931	1	35	-1.0	-49.76	316.79	0.55	-49.21
CCCC(NC(=O)C=CC1=CC=C(CC)O1)C1=N[N-]N=N1	REAL250004605932	0	39	-1.0	-46.54	334.85	4.62	-41.92
CCCC(NC(=O)C=CC1=CC=C(CC)O1)C1=NN=N[N-]1	REAL250004605932	1	39	-1.0	-46.51	334.91	4.64	-41.87
CCCC(NC(=O)C1=CC=C(C(C)C)S1)C1=N[N-]N=N1	REAL250004605933	0	38	-1.0	-45.58	329.27	4.78	-40.80
CCCC(NC(=O)C1=CC=C(C(C)C)S1)C1=NN=N[N-]1	REAL250004605933	1	38	-1.0	-45.60	329.33	4.79	-40.81
CCCC(NC(=O)C1=CC=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL250004605934	0	39	-1.0	-48.99	323.09	2.30	-46.69
CCCC(NC(=O)C1=CC=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL250004605934	1	39	-1.0	-49.01	323.03	2.28	-46.73
CCCC(NC(=O)CN1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004605935	0	41	-1.0	-53.48	330.71	-0.30	-53.78
CCCC(NC(=O)CN1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004605935	1	41	-1.0	-53.48	330.76	-0.29	-53.77
CCCC(NC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL250004605936	0	32	-1.0	-50.72	280.36	0.45	-50.27
CCCC(NC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL250004605936	1	32	-1.0	-50.72	280.42	0.47	-50.25
CCCC(NC(=O)C1CC12CCOC2)C1=N[N-]N=N1	REAL250004605937	0	37	-1.0	-44.73	301.68	2.03	-42.70
CCCC(NC(=O)C1CC12CCOC2)C1=NN=N[N-]1	REAL250004605937	1	37	-1.0	-44.75	301.74	2.04	-42.71
CCCC(NC(=O)C1=C(N)N(C)N=C1)C1=NN=N[N-]1	REAL250004605938	0	34	-1.0	-46.92	289.43	0.39	-46.53
CCCC(NC(=O)C1=C(N)N(C)N=C1)C1=N[N-]N=N1	REAL250004605938	1	34	-1.0	-46.93	289.37	0.38	-46.55
CCCC1=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=CO1	REAL250004605939	0	37	-1.0	-44.83	318.28	0.49	-44.34
CCCC1=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=CO1	REAL250004605939	1	37	-1.0	-44.84	318.34	0.50	-44.34
CCCC(NC(=O)C1=CCOCC1)C1=N[N-]N=N1	REAL250004605940	0	34	-1.0	-45.38	281.61	1.45	-43.93
CCCC(NC(=O)C1=CCOCC1)C1=NN=N[N-]1	REAL250004605940	1	34	-1.0	-45.36	281.67	1.47	-43.89
CCCC(NC(=O)C1=COC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004605941	0	35	-1.0	-45.49	306.77	0.53	-44.96
CCCC(NC(=O)C1=COC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004605941	1	35	-1.0	-45.52	306.82	0.55	-44.97
CCCC(NC(=O)C1=CSC(=O)N1)C1=N[N-]N=N1	REAL250004605942	0	29	-1.0	-44.28	270.25	-0.56	-44.84
CCCC(NC(=O)C1=CSC(=O)N1)C1=NN=N[N-]1	REAL250004605942	1	29	-1.0	-44.32	270.31	-0.54	-44.86
CCCC(NC(=O)C(F)(F)C(C)(C)O)C1=N[N-]N=N1	REAL250004605943	0	35	-1.0	-37.47	293.63	0.81	-36.66
CCCC(NC(=O)C(F)(F)C(C)(C)O)C1=NN=N[N-]1	REAL250004605943	1	35	-1.0	-37.50	293.69	0.82	-36.68
CCCC(NC(=O)C1=NC=C(C)C=C1O)C1=N[N-]N=N1	REAL250004605944	0	35	-1.0	-48.43	301.81	1.09	-47.34
CCCC(NC(=O)C1=NC=C(C)C=C1O)C1=NN=N[N-]1	REAL250004605944	1	35	-1.0	-48.36	301.86	1.10	-47.26
CCCC(NC(=O)C1=C2C=CC=NN2N=C1)C1=NN=N[N-]1	REAL250004605945	0	34	-1.0	-52.63	297.45	1.66	-50.97
CCCC(NC(=O)C1=C2C=CC=NN2N=C1)C1=N[N-]N=N1	REAL250004605945	1	34	-1.0	-52.62	297.39	1.64	-50.98
CCCC(NC(=O)C1=C(C)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004605946	0	38	-1.0	-44.06	324.55	1.40	-42.66
CCCC(NC(=O)C1=C(C)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004605946	1	38	-1.0	-44.05	324.61	1.41	-42.64
CCCC(NC(=O)C(C)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004605947	0	46	-1.0	-45.62	353.32	5.08	-40.54
CCCC(NC(=O)C(C)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004605947	1	46	-1.0	-45.62	353.38	5.09	-40.53
CCCC(NC(=O)C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004605948	0	34	-1.0	-39.56	301.23	3.51	-36.05
CCCC(NC(=O)C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004605948	1	34	-1.0	-39.56	301.28	3.53	-36.03
CCCC(NC(=O)C1=NC(C)=C(C)N=C1C)C1=N[N-]N=N1	REAL250004605949	0	39	-1.0	-46.30	321.45	1.80	-44.50
CCCC(NC(=O)C1=NC(C)=C(C)N=C1C)C1=NN=N[N-]1	REAL250004605949	1	39	-1.0	-46.28	321.51	1.81	-44.47
CCCC(NC(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004605950	0	45	-1.0	-44.46	344.57	3.32	-41.14
CCCC(NC(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004605950	1	45	-1.0	-44.47	344.63	3.34	-41.13
CCCC(NC(=O)C(=O)N1CCC(C)CC1)C1=N[N-]N=N1	REAL250004605951	0	42	-1.0	-40.96	333.65	2.60	-38.36
CCCC(NC(=O)C(=O)N1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605951	1	42	-1.0	-40.96	333.71	2.61	-38.35
CCCC(NC(=O)C(=O)N1CCCC(C)C1)C1=N[N-]N=N1	REAL250004605952	0	42	-1.0	-40.83	333.67	2.58	-38.25
CCCC(NC(=O)C(=O)N1CCCC(C)C1)C1=NN=N[N-]1	REAL250004605952	1	42	-1.0	-40.75	333.73	2.60	-38.15
CCCC(NC(=O)C1=CC=CC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004605953	0	35	-1.0	-45.45	308.52	-1.26	-46.71
CCCC(NC(=O)C1=CC=CC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004605953	1	35	-1.0	-45.43	308.46	-1.27	-46.70
CCCC(NC(=O)C1=CC(OC)=NO1)C1=NN=N[N-]1	REAL250004605954	0	32	-1.0	-40.71	286.02	-0.95	-41.66
CCCC(NC(=O)C1=CC(OC)=NO1)C1=N[N-]N=N1	REAL250004605954	1	32	-1.0	-40.74	285.96	-0.96	-41.70
CCCC(NC(=O)C1=COC(OCC)=N1)C1=NN=N[N-]1	REAL250004605955	0	35	-1.0	-44.77	308.15	-1.80	-46.57
CCCC(NC(=O)C1=COC(OCC)=N1)C1=N[N-]N=N1	REAL250004605955	1	35	-1.0	-44.75	308.09	-1.82	-46.57
CCCC(NC(=O)C1=CC(C)=NN=C1CC)C1=N[N-]N=N1	REAL250004605956	0	39	-1.0	-44.50	321.29	2.73	-41.77
CCCC(NC(=O)C1=CC(C)=NN=C1CC)C1=NN=N[N-]1	REAL250004605956	1	39	-1.0	-44.51	321.35	2.75	-41.76
CCCC(NC(=O)C1=CC(CC)=NN=C1C)C1=N[N-]N=N1	REAL250004605957	0	39	-1.0	-43.57	323.34	2.80	-40.77
CCCC(NC(=O)C1=CC(CC)=NN=C1C)C1=NN=N[N-]1	REAL250004605957	1	39	-1.0	-43.57	323.40	2.81	-40.76
CCCC(NC(=O)C1=COC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004605958	0	33	-1.0	-53.04	295.81	-1.57	-54.61
CCCC(NC(=O)C1=COC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004605958	1	33	-1.0	-53.02	295.86	-1.56	-54.58
CCCC(NC(=O)C1CC2(CC(C#N)C2)C1)C1=N[N-]N=N1	REAL250004605959	0	40	-1.0	-48.66	334.01	4.73	-43.93
CCCC(NC(=O)C1CC2(CC(C#N)C2)C1)C1=NN=N[N-]1	REAL250004605959	1	40	-1.0	-48.66	334.07	4.73	-43.93
CCCC(NC(=O)CC1CCOC(CC)C1)C1=N[N-]N=N1	REAL250004605960	0	45	-1.0	-45.67	351.78	3.76	-41.91
CCCC(NC(=O)CC1CCOC(CC)C1)C1=NN=N[N-]1	REAL250004605960	1	45	-1.0	-45.65	351.84	3.77	-41.88
CCCC(NC(=O)C=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004605961	0	37	-1.0	-47.09	319.82	1.97	-45.12
CCCC(NC(=O)C=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004605961	1	37	-1.0	-47.06	319.88	2.00	-45.06
CCCC(NC(=O)C1=CC=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL250004605962	0	37	-1.0	-47.24	314.47	0.78	-46.46
CCCC(NC(=O)C1=CC=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL250004605962	1	37	-1.0	-47.21	314.53	0.79	-46.42
CCCC(NC(=O)CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004605963	0	36	-1.0	-48.03	309.95	1.44	-46.59
CCCC(NC(=O)CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004605963	1	36	-1.0	-48.06	310.01	1.46	-46.60
CCCC(NC(=O)CCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004605964	0	39	-1.0	-45.98	331.34	2.25	-43.73
CCCC(NC(=O)CCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004605964	1	39	-1.0	-45.95	331.40	2.27	-43.68
CCCC(NC(=O)C1=CC=CC2=NNN=C21)C1=NN=N[N-]1	REAL250004605965	0	34	-1.0	-54.79	294.97	0.96	-53.83
CCCC(NC(=O)C1=CC=CC2=NNN=C21)C1=N[N-]N=N1	REAL250004605965	1	34	-1.0	-54.80	294.91	0.94	-53.86
CCCC(NC(=O)CC(=O)NCC)C1=N[N-]N=N1	REAL250004605967	0	35	-1.0	-56.88	296.49	1.19	-55.69
CCCC(NC(=O)CC(=O)NCC)C1=NN=N[N-]1	REAL250004605967	1	35	-1.0	-56.90	296.54	1.20	-55.70
CCCC(NC(=O)CCCC(=O)NC)C1=N[N-]N=N1	REAL250004605968	0	38	-1.0	-57.20	320.02	0.41	-56.79
CCCC(NC(=O)CCCC(=O)NC)C1=NN=N[N-]1	REAL250004605968	1	38	-1.0	-57.24	320.08	0.43	-56.81
CCCC(NC(=O)C1=CC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL250004605969	0	32	-1.0	-46.26	296.05	0.94	-45.32
CCCC(NC(=O)C1=CC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL250004605969	1	32	-1.0	-46.21	296.11	0.95	-45.26
CCCC(NC(=O)C1=NN(C)C(CC)=C1)C1=N[N-]N=N1	REAL250004605970	0	38	-1.0	-50.28	321.29	2.64	-47.64
CCCC(NC(=O)C1=NN(C)C(CC)=C1)C1=NN=N[N-]1	REAL250004605970	1	38	-1.0	-50.31	321.35	2.65	-47.66
CCCC(NC(=O)C1=CC2=NC=CN=C2N=C1)C1=NN=N[N-]1	REAL250004605971	0	35	-1.0	-50.73	305.52	1.13	-49.60
CCCC(NC(=O)C1=CC2=NC=CN=C2N=C1)C1=N[N-]N=N1	REAL250004605971	1	35	-1.0	-50.77	305.46	1.12	-49.65
C#CCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605972	0	39	-1.0	-47.36	330.68	4.94	-42.42
C#CCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605972	1	39	-1.0	-47.37	330.74	4.96	-42.41
CCCC(NC(=O)C1CC(C)CC(C)C1)C1=N[N-]N=N1	REAL250004605973	0	44	-1.0	-44.76	341.76	5.08	-39.68
CCCC(NC(=O)C1CC(C)CC(C)C1)C1=NN=N[N-]1	REAL250004605973	1	44	-1.0	-44.75	341.81	5.09	-39.66
CCCC(NC(=O)C1CCC(C)(C)C1)C1=N[N-]N=N1	REAL250004605974	0	41	-1.0	-46.20	323.12	4.34	-41.86
CCCC(NC(=O)C1CCC(C)(C)C1)C1=NN=N[N-]1	REAL250004605974	1	41	-1.0	-46.22	323.18	4.35	-41.87
CCCC(NC(=O)C1=CN(CCC)N=C1)C1=NN=N[N-]1	REAL250004605975	0	38	-1.0	-46.57	322.41	3.01	-43.56
CCCC(NC(=O)C1=CN(CCC)N=C1)C1=N[N-]N=N1	REAL250004605975	1	38	-1.0	-46.56	322.35	2.99	-43.57
CCCC(NC(=O)CCC(C)OC)C1=N[N-]N=N1	REAL250004605976	0	38	-1.0	-44.53	313.62	1.92	-42.61
CCCC(NC(=O)CCC(C)OC)C1=NN=N[N-]1	REAL250004605976	1	38	-1.0	-44.56	313.68	1.94	-42.62
CCCC(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605977	0	38	-1.0	-45.62	314.86	4.85	-40.77
CCCC(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605977	1	38	-1.0	-45.62	314.92	4.86	-40.76
CCCC(NC(=O)[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004605978	0	38	-1.0	-45.61	314.83	4.85	-40.76
CCCC(NC(=O)[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004605978	1	38	-1.0	-45.62	314.89	4.86	-40.76
CCCC(NC(=O)C1CCOC(CC)C1)C1=N[N-]N=N1	REAL250004605979	0	42	-1.0	-44.98	333.14	3.04	-41.94
CCCC(NC(=O)C1CCOC(CC)C1)C1=NN=N[N-]1	REAL250004605979	1	42	-1.0	-44.96	333.20	3.06	-41.90
CCCC(NC(=O)C1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL250004605980	0	41	-1.0	-46.97	342.22	3.77	-43.20
CCCC(NC(=O)C1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL250004605980	1	41	-1.0	-47.04	342.16	3.76	-43.28
CCCC(NC(=O)C(C)C(C)CC)C1=N[N-]N=N1	REAL250004605981	0	40	-1.0	-45.26	310.68	3.81	-41.45
CCCC(NC(=O)C(C)C(C)CC)C1=NN=N[N-]1	REAL250004605981	1	40	-1.0	-45.22	310.73	3.83	-41.39
CCCC(NC(=O)CCCOC(C)C)C1=N[N-]N=N1	REAL250004605982	0	41	-1.0	-47.60	336.21	2.86	-44.74
CCCC(NC(=O)CCCOC(C)C)C1=NN=N[N-]1	REAL250004605982	1	41	-1.0	-47.59	336.27	2.88	-44.71
CCCC(NC(=O)C(=O)NCC(F)F)C1=N[N-]N=N1	REAL250004605983	0	32	-1.0	-43.81	290.43	-0.69	-44.50
CCCC(NC(=O)C(=O)NCC(F)F)C1=NN=N[N-]1	REAL250004605983	1	32	-1.0	-43.84	290.49	-0.68	-44.52
CCCC(NC(=O)C1=NN2CCCOC2=C1)C1=NN=N[N-]1	REAL250004605984	0	37	-1.0	-49.69	313.11	0.48	-49.21
CCCC(NC(=O)C1=NN2CCCOC2=C1)C1=N[N-]N=N1	REAL250004605984	1	37	-1.0	-49.75	313.05	0.46	-49.29
CCCC(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004605985	0	39	-1.0	-45.47	321.25	5.35	-40.12
CCCC(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004605985	1	39	-1.0	-45.43	321.31	5.36	-40.07
CCCC(NC(=O)CC1(OC)CCC1)C1=N[N-]N=N1	REAL250004605986	0	39	-1.0	-49.03	312.13	2.18	-46.85
CCCC(NC(=O)CC1(OC)CCC1)C1=NN=N[N-]1	REAL250004605986	1	39	-1.0	-49.04	312.18	2.19	-46.85
CCCC(NC(=O)C1CCCOC1C)C1=N[N-]N=N1	REAL250004605987	0	39	-1.0	-44.13	308.04	2.20	-41.93
CCCC(NC(=O)C1CCCOC1C)C1=NN=N[N-]1	REAL250004605987	1	39	-1.0	-44.09	308.10	2.21	-41.88
CCCC(NC(=O)C1=C(CC)OCCC1)C1=N[N-]N=N1	REAL250004605988	0	40	-1.0	-45.25	323.44	3.54	-41.71
CCCC(NC(=O)C1=C(CC)OCCC1)C1=NN=N[N-]1	REAL250004605988	1	40	-1.0	-45.27	323.50	3.55	-41.72
CCCC(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004605989	0	31	-1.0	-57.09	279.97	2.62	-54.47
CCCC(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004605989	1	31	-1.0	-57.06	280.02	2.64	-54.42
CCCC(NC(=O)C1=C(Cl)C(C)=CS1)C1=N[N-]N=N1	REAL250004605990	0	32	-1.0	-46.83	300.02	3.76	-43.07
CCCC(NC(=O)C1=C(Cl)C(C)=CS1)C1=NN=N[N-]1	REAL250004605990	1	32	-1.0	-46.83	300.07	3.77	-43.06
CCCC(NC(=O)C1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004605991	0	42	-1.0	-46.33	340.01	6.22	-40.11
CCCC(NC(=O)C1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004605991	1	42	-1.0	-46.34	340.06	6.22	-40.12
CCCC(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004605992	0	37	-1.0	-47.66	314.50	3.33	-44.33
CCCC(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004605992	1	37	-1.0	-47.68	314.56	3.35	-44.33
CCCC(NC(=O)C1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004605993	0	29	-1.0	-44.27	283.32	3.13	-41.14
CCCC(NC(=O)C1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004605993	1	29	-1.0	-44.28	283.37	3.15	-41.13
CCCC(NC(=O)CCC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004605994	0	36	-1.0	-46.84	309.49	3.12	-43.72
CCCC(NC(=O)CCC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004605994	1	36	-1.0	-46.84	309.54	3.14	-43.70
CCCC(NC(=O)C(CC)C(=O)OC)C1=N[N-]N=N1	REAL250004605996	0	37	-1.0	-51.98	307.13	3.64	-48.34
CCCC(NC(=O)C(CC)C(=O)OC)C1=NN=N[N-]1	REAL250004605996	1	37	-1.0	-51.99	307.19	3.65	-48.34
CCCC(NC(=O)C1=CC=C(CC)C=C1O)C1=N[N-]N=N1	REAL250004605997	0	39	-1.0	-49.33	326.01	3.58	-45.75
CCCC(NC(=O)C1=CC=C(CC)C=C1O)C1=NN=N[N-]1	REAL250004605997	1	39	-1.0	-49.36	326.07	3.59	-45.77
CCCC(NC(=O)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004605998	0	30	-1.0	-42.00	283.25	0.46	-41.54
CCCC(NC(=O)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004605998	1	30	-1.0	-42.01	283.20	0.45	-41.56
CCCC(NC(=O)C1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004605999	0	29	-1.0	-45.46	282.66	3.16	-42.30
CCCC(NC(=O)C1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004605999	1	29	-1.0	-45.47	282.72	3.18	-42.29
CCCC(NC(=O)C1CCC(OC)CC1)C1=N[N-]N=N1	REAL250004606000	0	42	-1.0	-48.02	326.00	2.72	-45.30
CCCC(NC(=O)C1CCC(OC)CC1)C1=NN=N[N-]1	REAL250004606000	1	42	-1.0	-48.04	326.06	2.74	-45.30
CCCC(NC(=O)C1=CNC=C(F)C1=O)C1=N[N-]N=N1	REAL250004606001	0	32	-1.0	-59.61	283.46	1.66	-57.95
CCCC(NC(=O)C1=CNC=C(F)C1=O)C1=NN=N[N-]1	REAL250004606001	1	32	-1.0	-59.58	283.52	1.68	-57.90
CCCC(NC(=O)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004606002	0	34	-1.0	-47.85	295.18	1.06	-46.79
CCCC(NC(=O)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004606002	1	34	-1.0	-47.81	295.12	1.04	-46.77
CCCC(NC(=O)CC1OCCCO1)C1=N[N-]N=N1	REAL250004606003	0	37	-1.0	-47.92	304.24	1.69	-46.23
CCCC(NC(=O)CC1OCCCO1)C1=NN=N[N-]1	REAL250004606003	1	37	-1.0	-47.92	304.30	1.70	-46.22
CCCC(NC(=O)CC1OCCO1)C1=N[N-]N=N1	REAL250004606004	0	34	-1.0	-47.79	286.04	0.77	-47.02
CCCC(NC(=O)CC1OCCO1)C1=NN=N[N-]1	REAL250004606004	1	34	-1.0	-47.81	286.10	0.78	-47.03
CCCC(NC(=O)CC1=CN(CC)N=C1)C1=NN=N[N-]1	REAL250004606005	0	38	-1.0	-48.56	323.33	2.97	-45.59
CCCC(NC(=O)CC1=CN(CC)N=C1)C1=N[N-]N=N1	REAL250004606005	1	38	-1.0	-48.52	323.27	2.95	-45.57
CCCC(NC(=O)C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004606006	0	38	-1.0	-46.79	319.55	2.76	-44.03
CCCC(NC(=O)C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004606006	1	38	-1.0	-46.77	319.49	2.75	-44.02
CCCC(NC(=O)C1CCCC(C(N)=O)C1)C1=N[N-]N=N1	REAL250004606007	0	42	-1.0	-56.67	335.82	0.53	-56.14
CCCC(NC(=O)C1CCCC(C(N)=O)C1)C1=NN=N[N-]1	REAL250004606007	1	42	-1.0	-56.65	335.88	0.55	-56.10
CCCC(NC(=O)CC1=CC=CC=C1CC)C1=N[N-]N=N1	REAL250004606008	0	41	-1.0	-46.20	334.60	5.43	-40.77
CCCC(NC(=O)CC1=CC=CC=C1CC)C1=NN=N[N-]1	REAL250004606008	1	41	-1.0	-46.18	334.66	5.45	-40.73
CCCC(NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL250004606009	0	43	-1.0	-50.93	339.52	4.19	-46.74
CCCC(NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL250004606009	1	43	-1.0	-50.86	339.57	4.20	-46.66
CCCC(NC(=O)C1=CC=C(C)C=C1OC)C1=N[N-]N=N1	REAL250004606010	0	39	-1.0	-51.70	323.01	4.83	-46.87
CCCC(NC(=O)C1=CC=C(C)C=C1OC)C1=NN=N[N-]1	REAL250004606010	1	39	-1.0	-51.71	323.07	4.85	-46.86
CCCC(NC(=O)C=CC1=CC=CN1)C1=N[N-]N=N1	REAL250004606011	0	34	-1.0	-48.01	293.94	2.73	-45.28
CCCC(NC(=O)C=CC1=CC=CN1)C1=NN=N[N-]1	REAL250004606011	1	34	-1.0	-47.97	293.99	2.74	-45.23
CCCC(NC(=O)C1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL250004606012	0	31	-1.0	-49.39	280.49	1.87	-47.52
CCCC(NC(=O)C1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL250004606012	1	31	-1.0	-49.39	280.43	1.86	-47.53
CCCC(NC(=O)CCC1=CNC=N1)C1=N[N-]N=N1	REAL250004606013	0	35	-1.0	-50.79	299.63	2.64	-48.15
CCCC(NC(=O)CCC1=CNC=N1)C1=NN=N[N-]1	REAL250004606013	1	35	-1.0	-50.79	299.69	2.65	-48.14
CCCC(NC(=O)CCC1=CN=CN1)C1=N[N-]N=N1	REAL250004606013	1	35	-1.0	-48.15	299.69	2.62	-45.53
CCCC(NC(=O)C=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004606014	0	33	-1.0	-51.57	290.67	2.57	-49.00
CCCC(NC(=O)C=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004606014	1	33	-1.0	-51.57	290.73	2.58	-48.99
CCCC(NC(=O)CC(C)(C)CC(C)=O)C1=N[N-]N=N1	REAL250004606015	0	42	-1.0	-51.69	327.40	3.80	-47.89
CCCC(NC(=O)CC(C)(C)CC(C)=O)C1=NN=N[N-]1	REAL250004606015	1	42	-1.0	-51.72	327.46	3.82	-47.90
CCCC(NC(=O)C1CN(C(C)=O)C1)C1=N[N-]N=N1	REAL250004606016	0	36	-1.0	-48.20	306.91	1.09	-47.11
CCCC(NC(=O)C1CN(C(C)=O)C1)C1=NN=N[N-]1	REAL250004606016	1	36	-1.0	-48.22	306.97	1.10	-47.12
CCCC(NC(=O)C1=CC=C(C#N)C(O)=C1)C1=N[N-]N=N1	REAL250004606017	0	34	-1.0	-46.61	305.45	1.21	-45.40
CCCC(NC(=O)C1=CC=C(C#N)C(O)=C1)C1=NN=N[N-]1	REAL250004606017	1	34	-1.0	-46.60	305.51	1.22	-45.38
CCCC(NC(=O)C(=O)NCC1CC1)C1=N[N-]N=N1	REAL250004606018	0	36	-1.0	-40.73	309.22	0.54	-40.19
CCCC(NC(=O)C(=O)NCC1CC1)C1=NN=N[N-]1	REAL250004606018	1	36	-1.0	-40.74	309.27	0.55	-40.19
CCCC(NC(=O)C1=CC=NN1CCOC)C1=NN=N[N-]1	REAL250004606019	0	39	-1.0	-44.72	330.05	1.29	-43.43
CCCC(NC(=O)C1=CC=NN1CCOC)C1=N[N-]N=N1	REAL250004606019	1	39	-1.0	-44.72	329.99	1.27	-43.45
CCCC(NC(=O)[C@H]1CC[C@H](CC)CC1)C1=N[N-]N=N1	REAL250004606020	0	44	-1.0	-45.95	339.15	5.13	-40.82
CCCC(NC(=O)[C@H]1CC[C@H](CC)CC1)C1=NN=N[N-]1	REAL250004606020	1	44	-1.0	-45.94	339.20	5.14	-40.80
CCCC(NC(=O)C1CC1(C)C(C)C)C1=N[N-]N=N1	REAL250004606021	0	41	-1.0	-44.96	314.93	4.22	-40.74
CCCC(NC(=O)C1CC1(C)C(C)C)C1=NN=N[N-]1	REAL250004606021	1	41	-1.0	-44.97	314.99	4.23	-40.74
CCCC(NC(=O)C1=NN(CCOC)C=C1)C1=NN=N[N-]1	REAL250004606022	0	39	-1.0	-49.01	334.96	1.33	-47.68
CCCC(NC(=O)C1=NN(CCOC)C=C1)C1=N[N-]N=N1	REAL250004606022	1	39	-1.0	-49.00	334.91	1.32	-47.68
CCCC(NC(=O)CC1=CN=CS1)C1=NN=N[N-]1	REAL250004606023	0	31	-1.0	-46.61	283.73	1.58	-45.03
CCCC(NC(=O)CC1=CN=CS1)C1=N[N-]N=N1	REAL250004606023	1	31	-1.0	-46.63	283.67	1.56	-45.07
CCCC(NC(=O)C1=NN(C)C(OC)=C1)C1=NN=N[N-]1	REAL250004606024	0	36	-1.0	-49.14	303.63	-0.24	-49.38
CCCC(NC(=O)C1=NN(C)C(OC)=C1)C1=N[N-]N=N1	REAL250004606024	1	36	-1.0	-49.13	303.57	-0.26	-49.39
CCCC(NC(=O)CCCCC(=O)NC)C1=N[N-]N=N1	REAL250004606025	0	41	-1.0	-49.15	341.52	1.19	-47.96
CCCC(NC(=O)CCCCC(=O)NC)C1=NN=N[N-]1	REAL250004606025	1	41	-1.0	-49.14	341.58	1.21	-47.93
CCCC(NC(=O)C(O)C1CCCCC1)C1=N[N-]N=N1	REAL250004606026	0	42	-1.0	-45.18	327.62	2.57	-42.61
CCCC(NC(=O)C(O)C1CCCCC1)C1=NN=N[N-]1	REAL250004606026	1	42	-1.0	-45.18	327.68	2.58	-42.60
CCCC(NC(=O)C1=C(C)N=NN1)C1=N[N-]N=N1	REAL250004606027	0	31	-1.0	-41.61	269.17	-0.68	-42.29
CCCC(NC(=O)C1=C(C)N=NN1)C1=NN=N[N-]1	REAL250004606027	1	31	-1.0	-41.55	269.23	-0.66	-42.21
CCCC(NC(=O)C1=C2C=NC=CN2N=C1)C1=NN=N[N-]1	REAL250004606028	0	34	-1.0	-49.37	296.81	1.55	-47.82
CCCC(NC(=O)C1=C2C=NC=CN2N=C1)C1=N[N-]N=N1	REAL250004606028	1	34	-1.0	-49.31	296.75	1.54	-47.77
CCCC(NC(=O)C1COC(C)C1)C1=N[N-]N=N1	REAL250004606029	0	36	-1.0	-45.30	293.80	1.39	-43.91
CCCC(NC(=O)C1COC(C)C1)C1=NN=N[N-]1	REAL250004606029	1	36	-1.0	-45.31	293.86	1.41	-43.90
CCCC(NC(=O)CC1=CC2=NNC=C2C=C1)C1=N[N-]N=N1	REAL250004606030	0	38	-1.0	-52.71	325.17	3.01	-49.70
CCCC(NC(=O)CC1=CC2=NNC=C2C=C1)C1=NN=N[N-]1	REAL250004606030	1	38	-1.0	-52.72	325.23	3.01	-49.71
CCCC(NC(=O)CCC1=CN=CN1C)C1=N[N-]N=N1	REAL250004606031	0	38	-1.0	-46.05	320.10	4.20	-41.85
CCCC(NC(=O)CCC1=CN=CN1C)C1=NN=N[N-]1	REAL250004606031	1	38	-1.0	-46.03	320.15	4.22	-41.81
CCCC(NC(=O)C1NC(=O)OC1C)C1=N[N-]N=N1	REAL250004606032	0	34	-1.0	-50.53	284.63	-1.25	-51.78
CCCC(NC(=O)C1NC(=O)OC1C)C1=NN=N[N-]1	REAL250004606032	1	34	-1.0	-50.55	284.69	-1.23	-51.78
CCCC(NC(=O)C1=CC=NN1CC)C1=NN=N[N-]1	REAL250004606033	0	35	-1.0	-43.60	296.30	2.23	-41.37
CCCC(NC(=O)C1=CC=NN1CC)C1=N[N-]N=N1	REAL250004606033	1	35	-1.0	-43.60	296.24	2.21	-41.39
CCCC(NC(=O)C1=CC([N+](=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004606034	0	34	-1.0	-41.15	305.39	3.06	-38.09
CCCC(NC(=O)C1=CC([N+](=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004606034	1	34	-1.0	-41.13	305.33	3.04	-38.09
CCCC(NC(=O)C1=CCCCCC1)C1=N[N-]N=N1	REAL250004606035	0	39	-1.0	-45.83	305.23	4.41	-41.42
CCCC(NC(=O)C1=CCCCCC1)C1=NN=N[N-]1	REAL250004606035	1	39	-1.0	-45.84	305.29	4.43	-41.41
CCCC(NC(=O)C1=C(O)C=CC=C1F)C1=N[N-]N=N1	REAL250004606036	0	33	-1.0	-55.13	295.03	0.72	-54.41
CCCC(NC(=O)C1=C(O)C=CC=C1F)C1=NN=N[N-]1	REAL250004606036	1	33	-1.0	-55.07	295.09	0.74	-54.33
CCCC(NC(=O)CC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL250004606037	0	37	-1.0	-49.18	315.21	3.16	-46.02
CCCC(NC(=O)CC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL250004606037	1	37	-1.0	-49.19	315.27	3.16	-46.03
CCCC(NC(=O)C1=C(C)C=CN1C)C1=N[N-]N=N1	REAL250004606038	0	36	-1.0	-49.31	306.41	3.61	-45.70
CCCC(NC(=O)C1=C(C)C=CN1C)C1=NN=N[N-]1	REAL250004606038	1	36	-1.0	-49.32	306.47	3.63	-45.69
CCCC(NC(=O)C1=C2C=CC=CC2=NN1C)C1=NN=N[N-]1	REAL250004606039	0	38	-1.0	-49.14	326.31	3.48	-45.66
CCCC(NC(=O)C1=C2C=CC=CC2=NN1C)C1=N[N-]N=N1	REAL250004606039	1	38	-1.0	-49.12	326.25	3.46	-45.66
CCCC(NC(=O)C1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004606040	0	36	-1.0	-46.27	300.16	1.32	-44.95
CCCC(NC(=O)C1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004606040	1	36	-1.0	-46.26	300.22	1.34	-44.92
CCCC(NC(=O)C1CCCC1(C)C)C1=N[N-]N=N1	REAL250004606041	0	41	-1.0	-46.85	317.17	4.28	-42.57
CCCC(NC(=O)C1CCCC1(C)C)C1=NN=N[N-]1	REAL250004606041	1	41	-1.0	-46.84	317.24	4.30	-42.54
CCCC(NC(=O)CC1CC(OCC)C1)C1=N[N-]N=N1	REAL250004606042	0	42	-1.0	-50.07	342.05	3.31	-46.76
CCCC(NC(=O)CC1CC(OCC)C1)C1=NN=N[N-]1	REAL250004606042	1	42	-1.0	-50.09	342.11	3.33	-46.76
CCCC(NC(=O)C1=CC=CC(O)=C1O)C1=N[N-]N=N1	REAL250004606043	0	34	-1.0	-49.46	293.88	-0.16	-49.62
CCCC(NC(=O)C1=CC=CC(O)=C1O)C1=NN=N[N-]1	REAL250004606043	1	34	-1.0	-49.49	293.94	-0.15	-49.64
CCCC(NC(=O)CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004606044	0	35	-1.0	-49.19	298.69	3.38	-45.81
CCCC(NC(=O)CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004606044	1	35	-1.0	-49.19	298.75	3.40	-45.79
CCCC(NC(=O)CCC(C)(C)O)C1=N[N-]N=N1	REAL250004606045	0	38	-1.0	-44.28	308.79	0.08	-44.20
CCCC(NC(=O)CCC(C)(C)O)C1=NN=N[N-]1	REAL250004606045	1	38	-1.0	-44.30	308.85	0.09	-44.21
CCCC(NC(=O)CCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004606046	0	38	-1.0	-45.15	320.58	2.64	-42.51
CCCC(NC(=O)CCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004606046	1	38	-1.0	-45.15	320.64	2.66	-42.49
CCCC(NC(=O)C1(F)CCCC1)C1=N[N-]N=N1	REAL250004606047	0	35	-1.0	-45.17	288.03	3.23	-41.94
CCCC(NC(=O)C1(F)CCCC1)C1=NN=N[N-]1	REAL250004606047	1	35	-1.0	-45.14	288.08	3.24	-41.90
CCCC(NC(=O)C1=CC(C)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004606048	0	34	-1.0	-42.25	307.96	2.88	-39.37
CCCC(NC(=O)C1=CC(C)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004606048	1	34	-1.0	-42.27	308.02	2.90	-39.37
CCCC(NC(=O)C1=CC(O)=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004606049	0	34	-1.0	-46.51	306.12	1.18	-45.33
CCCC(NC(=O)C1=CC(O)=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004606049	1	34	-1.0	-46.48	306.18	1.19	-45.29
CCCC(NC(=O)CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL250004606050	0	37	-1.0	-47.12	310.97	3.00	-44.12
CCCC(NC(=O)CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL250004606050	1	37	-1.0	-47.10	311.03	3.01	-44.09
CCCC(NC(=O)CC1=CC=CC=C1CO)C1=N[N-]N=N1	REAL250004606051	0	39	-1.0	-48.19	325.94	1.65	-46.54
CCCC(NC(=O)CC1=CC=CC=C1CO)C1=NN=N[N-]1	REAL250004606051	1	39	-1.0	-48.23	326.00	1.67	-46.56
CCCC(NC(=O)CC1C=CCCC1)C1=N[N-]N=N1	REAL250004606052	0	39	-1.0	-45.60	311.06	4.47	-41.13
CCCC(NC(=O)CC1C=CCCC1)C1=NN=N[N-]1	REAL250004606052	1	39	-1.0	-45.60	311.12	4.48	-41.12
CCCC(NC(=O)CC1CCCC1C)C1=N[N-]N=N1	REAL250004606053	0	41	-1.0	-45.87	322.99	4.53	-41.34
CCCC(NC(=O)CC1CCCC1C)C1=NN=N[N-]1	REAL250004606053	1	41	-1.0	-45.85	323.05	4.54	-41.31
CCCC(NC(=O)C1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004606054	0	36	-1.0	-50.70	298.47	1.32	-49.38
CCCC(NC(=O)C1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004606054	1	36	-1.0	-50.69	298.53	1.33	-49.36
CCCC(NC(=O)C1=COC(C)=N1)C1=N[N-]N=N1	REAL250004606055	0	31	-1.0	-45.90	275.30	-1.05	-46.95
CCCC(NC(=O)C1=COC(C)=N1)C1=NN=N[N-]1	REAL250004606055	1	31	-1.0	-45.91	275.35	-1.03	-46.94
CCCC(NC(=O)C1=CC=NC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004606057	0	36	-1.0	-48.84	305.59	2.21	-46.63
CCCC(NC(=O)C1=CC=NC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004606057	1	36	-1.0	-48.80	305.54	2.20	-46.60
CCCC(NC(=O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606058	0	38	-1.0	-45.64	314.85	4.85	-40.79
CCCC(NC(=O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606058	1	38	-1.0	-45.64	314.91	4.86	-40.78
CCCC(NC(=O)[C@H](C)NC(N)=O)C1=N[N-]N=N1	REAL250004606059	0	34	-1.0	-43.60	290.09	-2.94	-46.54
CCCC(NC(=O)[C@H](C)NC(N)=O)C1=NN=N[N-]1	REAL250004606059	1	34	-1.0	-43.59	290.14	-2.92	-46.51
CCCC(NC(=O)C1=CN=C(OCC)C=N1)C1=NN=N[N-]1	REAL250004606060	0	37	-1.0	-43.33	320.41	-0.53	-43.86
CCCC(NC(=O)C1=CN=C(OCC)C=N1)C1=N[N-]N=N1	REAL250004606060	1	37	-1.0	-43.32	320.35	-0.55	-43.87
CCCC(NC(=O)C1=NC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004606061	0	31	-1.0	-49.59	292.48	2.48	-47.11
CCCC(NC(=O)C1=NC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004606061	1	31	-1.0	-49.58	292.42	2.47	-47.11
CCCC(NC(=O)C1=CSC(Cl)=N1)C1=NN=N[N-]1	REAL250004606062	0	28	-1.0	-44.27	278.68	1.14	-43.13
CCCC(NC(=O)C1=CSC(Cl)=N1)C1=N[N-]N=N1	REAL250004606062	1	28	-1.0	-44.24	278.62	1.13	-43.11
CCCC(NC(=O)C1=COC(CC2CC2)=N1)C1=N[N-]N=N1	REAL250004606063	0	38	-1.0	-45.48	328.39	1.26	-44.22
CCCC(NC(=O)C1=COC(CC2CC2)=N1)C1=NN=N[N-]1	REAL250004606063	1	38	-1.0	-45.45	328.45	1.28	-44.17
CCCC(NC(=O)CC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004606064	0	32	-1.0	-44.37	301.29	3.87	-40.50
CCCC(NC(=O)CC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004606064	1	32	-1.0	-44.38	301.34	3.88	-40.50
CCCC(NC(=O)C1=CC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL250004606065	0	37	-1.0	-47.91	314.62	3.16	-44.75
CCCC(NC(=O)C1=CC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL250004606065	1	37	-1.0	-47.92	314.68	3.17	-44.75
CCCC(NC(=O)C1CCC(F)C1)C1=N[N-]N=N1	REAL250004606066	0	35	-1.0	-45.45	288.98	3.28	-42.17
CCCC(NC(=O)C1CCC(F)C1)C1=NN=N[N-]1	REAL250004606066	1	35	-1.0	-45.40	289.04	3.30	-42.10
CCCC(NC(=O)C1=CC(=O)C(OC)=CO1)C1=N[N-]N=N1	REAL250004606067	0	35	-1.0	-48.63	306.95	1.64	-46.99
CCCC(NC(=O)C1=CC(=O)C(OC)=CO1)C1=NN=N[N-]1	REAL250004606067	1	35	-1.0	-48.67	307.01	1.66	-47.01
CCCC(NC(=O)C1=CC2=CC=NC=C2N=C1)C1=NN=N[N-]1	REAL250004606068	0	36	-1.0	-44.49	310.56	2.25	-42.24
CCCC(NC(=O)C1=CC2=CC=NC=C2N=C1)C1=N[N-]N=N1	REAL250004606068	1	36	-1.0	-44.44	310.50	2.23	-42.21
CCCC(NC(=O)C1=CN2C=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL250004606069	0	39	-1.0	-45.58	328.45	5.96	-39.62
CCCC(NC(=O)C1=CN2C=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL250004606069	1	39	-1.0	-45.58	328.51	5.97	-39.61
CCCC(NC(=O)C1=CN=C(C(C)O)S1)C1=N[N-]N=N1	REAL250004606070	0	35	-1.0	-45.51	314.87	-1.06	-46.57
CCCC(NC(=O)C1=CN=C(C(C)O)S1)C1=NN=N[N-]1	REAL250004606070	1	35	-1.0	-45.49	314.93	-1.04	-46.53
CCCC(NC(=O)C(O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004606071	0	36	-1.0	-48.48	311.53	0.03	-48.45
CCCC(NC(=O)C(O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004606071	1	36	-1.0	-48.49	311.47	0.01	-48.48
CCCC(NC(=O)C1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004606072	0	35	-1.0	-41.55	305.10	3.13	-38.42
CCCC(NC(=O)C1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004606072	1	35	-1.0	-41.60	305.15	3.15	-38.45
CCCC(NC(=O)[C@H]1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004606073	0	36	-1.0	-51.36	298.72	0.14	-51.22
CCCC(NC(=O)[C@H]1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004606073	1	36	-1.0	-51.34	298.78	0.16	-51.18
CCCC(NC(=O)C1=CC=CC(C#N)=C1C)C1=N[N-]N=N1	REAL250004606074	0	36	-1.0	-46.95	308.75	4.52	-42.43
CCCC(NC(=O)C1=CC=CC(C#N)=C1C)C1=NN=N[N-]1	REAL250004606074	1	36	-1.0	-46.97	308.80	4.53	-42.44
CCCC(NC(=O)C1=C2N=C(C)NC2=CC=C1)C1=NN=N[N-]1	REAL250004606075	0	38	-1.0	-60.34	321.52	3.27	-57.07
CCCC(NC(=O)C1=C2N=C(C)NC2=CC=C1)C1=N[N-]N=N1	REAL250004606075	1	38	-1.0	-60.32	321.46	3.26	-57.06
CCCC(NC(=O)C1=CC=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL250004606076	0	36	-1.0	-48.55	314.24	4.53	-44.02
CCCC(NC(=O)C1=CC=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL250004606076	1	36	-1.0	-48.57	314.30	4.53	-44.04
CCCC(NC(=O)C1OC(C)CC1C)C1=N[N-]N=N1	REAL250004606077	0	39	-1.0	-48.01	302.30	3.39	-44.62
CCCC(NC(=O)C1OC(C)CC1C)C1=NN=N[N-]1	REAL250004606077	1	39	-1.0	-48.02	302.36	3.41	-44.61
CCCC(NC(=O)COC1=CSC=C1)C1=N[N-]N=N1	REAL250004606078	0	33	-1.0	-48.06	298.66	3.16	-44.90
CCCC(NC(=O)COC1=CSC=C1)C1=NN=N[N-]1	REAL250004606078	1	33	-1.0	-48.05	298.72	3.17	-44.88
CCCC(NC(=O)C1CCCCC1CC)C1=N[N-]N=N1	REAL250004606079	0	44	-1.0	-44.84	334.42	5.07	-39.77
CCCC(NC(=O)C1CCCCC1CC)C1=NN=N[N-]1	REAL250004606079	1	44	-1.0	-44.84	334.48	5.09	-39.75
CCCC(NC(=O)C1=C(N)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004606080	0	40	-1.0	-46.76	331.30	1.99	-44.77
CCCC(NC(=O)C1=C(N)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004606080	1	40	-1.0	-46.72	331.25	1.98	-44.74
CCCC(NC(=O)[C@@H](O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606081	0	39	-1.0	-46.08	330.03	3.01	-43.07
CCCC(NC(=O)[C@@H](O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606081	1	39	-1.0	-46.06	330.09	3.03	-43.03
CCCC(NC(=O)C1=CC(C)=NC(NC)=N1)C1=N[N-]N=N1	REAL250004606082	0	38	-1.0	-45.18	325.35	2.80	-42.38
CCCC(NC(=O)C1=CC(C)=NC(NC)=N1)C1=NN=N[N-]1	REAL250004606082	1	38	-1.0	-45.17	325.41	2.82	-42.35
CCCC(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004606083	0	31	-1.0	-43.42	277.98	1.99	-41.43
CCCC(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004606083	1	31	-1.0	-43.40	277.92	1.97	-41.43
CCCC(NC(=O)C=CC1=CN=CS1)C1=N[N-]N=N1	REAL250004606084	0	32	-1.0	-46.22	294.16	2.09	-44.13
CCCC(NC(=O)C=CC1=CN=CS1)C1=NN=N[N-]1	REAL250004606084	1	32	-1.0	-46.24	294.21	2.11	-44.13
CCCC(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004606085	0	32	-1.0	-43.84	282.05	2.98	-40.86
CCCC(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004606085	1	32	-1.0	-43.87	282.10	2.99	-40.88
CCCC(NC(=O)CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004606086	0	32	-1.0	-45.90	306.19	4.03	-41.87
CCCC(NC(=O)CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004606086	1	32	-1.0	-45.88	306.25	4.04	-41.84
CCCC(NC(=O)CC(O)CCC(C)CC)C1=N[N-]N=N1	REAL250004606087	0	47	-1.0	-48.31	369.88	3.16	-45.15
CCCC(NC(=O)CC(O)CCC(C)CC)C1=NN=N[N-]1	REAL250004606087	1	47	-1.0	-48.27	369.93	3.18	-45.09
CCCCC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606088	0	40	-1.0	-45.19	319.58	4.16	-41.03
CCCCC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606088	1	40	-1.0	-45.20	319.64	4.18	-41.02
CCCC(NC(=O)C1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL250004606089	0	38	-1.0	-43.71	311.20	3.98	-39.73
CCCC(NC(=O)C1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL250004606089	1	38	-1.0	-43.74	311.26	4.00	-39.74
CCCC(NC(=O)C(C)CC(N)=O)C1=N[N-]N=N1	REAL250004606090	0	35	-1.0	-44.68	291.93	-1.26	-45.94
CCCC(NC(=O)C(C)CC(N)=O)C1=NN=N[N-]1	REAL250004606090	1	35	-1.0	-44.69	291.99	-1.24	-45.93
CCCC(NC(=O)C1=C(C)NC(C=O)=C1)C1=N[N-]N=N1	REAL250004606091	0	35	-1.0	-48.00	303.18	1.62	-46.38
CCCC(NC(=O)C1=C(C)NC(C=O)=C1)C1=NN=N[N-]1	REAL250004606091	1	35	-1.0	-48.00	303.24	1.64	-46.36
CCCC(NC(=O)C1=CN=NN1C)C1=NN=N[N-]1	REAL250004606092	0	31	-1.0	-41.98	269.50	-0.03	-42.01
CCCC(NC(=O)C1=CN=NN1C)C1=N[N-]N=N1	REAL250004606092	1	31	-1.0	-41.98	269.45	-0.04	-42.02
CCCC(NC(=O)C1=CC=CC(Cl)=C1C)C1=N[N-]N=N1	REAL250004606093	0	35	-1.0	-45.04	304.20	4.71	-40.33
CCCC(NC(=O)C1=CC=CC(Cl)=C1C)C1=NN=N[N-]1	REAL250004606093	1	35	-1.0	-45.00	304.26	4.73	-40.27
CCCC(NC(=O)C1CCCOCC1)C1=N[N-]N=N1	REAL250004606095	0	39	-1.0	-48.21	304.73	2.17	-46.04
CCCC(NC(=O)C1CCCOCC1)C1=NN=N[N-]1	REAL250004606095	1	39	-1.0	-48.21	304.79	2.19	-46.02
CCCC(NC(=O)CC(C)(C)OC)C1=N[N-]N=N1	REAL250004606096	0	38	-1.0	-46.99	301.47	2.57	-44.42
CCCC(NC(=O)CC(C)(C)OC)C1=NN=N[N-]1	REAL250004606096	1	38	-1.0	-47.01	301.52	2.58	-44.43
CCCC(NC(=O)C1=CC=C(F)C(C#N)=C1)C1=N[N-]N=N1	REAL250004606097	0	33	-1.0	-46.46	300.99	4.06	-42.40
CCCC(NC(=O)C1=CC=C(F)C(C#N)=C1)C1=NN=N[N-]1	REAL250004606097	1	33	-1.0	-46.47	301.05	4.07	-42.40
CCCC(NC(=O)C1=CC=C(NC)N=C1)C1=N[N-]N=N1	REAL250004606098	0	36	-1.0	-47.11	304.02	1.50	-45.61
CCCC(NC(=O)C1=CC=C(NC)N=C1)C1=NN=N[N-]1	REAL250004606098	1	36	-1.0	-47.11	304.08	1.52	-45.59
CCCC(NC(=O)CC1=C(C)N=CN1)C1=N[N-]N=N1	REAL250004606099	0	35	-1.0	-48.87	299.29	2.36	-46.51
CCCC(NC(=O)CC1=C(C)N=CN1)C1=NN=N[N-]1	REAL250004606099	1	35	-1.0	-48.83	299.35	2.38	-46.45
CCCC(NC(=O)C1=NC=CS1)C1=NN=N[N-]1	REAL250004606100	0	28	-1.0	-44.78	262.48	0.74	-44.04
CCCC(NC(=O)C1=NC=CS1)C1=N[N-]N=N1	REAL250004606100	1	28	-1.0	-44.72	262.42	0.73	-43.99
CCCC(NC(=O)C1=NC(C)=C(C)S1)C1=N[N-]N=N1	REAL250004606101	0	34	-1.0	-49.88	302.09	1.97	-47.91
CCCC(NC(=O)C1=NC(C)=C(C)S1)C1=NN=N[N-]1	REAL250004606101	1	34	-1.0	-49.87	302.14	1.98	-47.89
CCCC(NC(=O)C1=C(C)OC(C#N)=C1)C1=N[N-]N=N1	REAL250004606102	0	33	-1.0	-42.01	296.50	2.91	-39.10
CCCC(NC(=O)C1=C(C)OC(C#N)=C1)C1=NN=N[N-]1	REAL250004606102	1	33	-1.0	-42.06	296.56	2.92	-39.14
CCCC(NC(=O)CC1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004606103	0	38	-1.0	-45.45	315.26	4.14	-41.31
CCCC(NC(=O)CC1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004606103	1	38	-1.0	-45.44	315.32	4.16	-41.28
CCCC(NC(=O)CCCC1CCOCC1)C1=N[N-]N=N1	REAL250004606104	0	45	-1.0	-45.64	353.74	3.66	-41.98
CCCC(NC(=O)CCCC1CCOCC1)C1=NN=N[N-]1	REAL250004606104	1	45	-1.0	-45.65	353.80	3.67	-41.98
CCCC(NC(=O)C1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004606105	0	42	-1.0	-47.76	340.02	6.19	-41.57
CCCC(NC(=O)C1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004606105	1	42	-1.0	-47.75	340.08	6.20	-41.55
CCCC(NC(=O)CC(C)(C)C#N)C1=N[N-]N=N1	REAL250004606106	0	35	-1.0	-41.37	291.38	2.82	-38.55
CCCC(NC(=O)CC(C)(C)C#N)C1=NN=N[N-]1	REAL250004606106	1	35	-1.0	-41.38	291.43	2.83	-38.55
CCCC(NC(=O)CC1=CC=C(OC)C=N1)C1=N[N-]N=N1	REAL250004606107	0	38	-1.0	-53.49	321.97	1.94	-51.55
CCCC(NC(=O)CC1=CC=C(OC)C=N1)C1=NN=N[N-]1	REAL250004606107	1	38	-1.0	-53.53	322.03	1.96	-51.57
CCCC(NC(=O)C(OC)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004606108	0	39	-1.0	-49.97	334.84	2.21	-47.76
CCCC(NC(=O)C(OC)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004606108	1	39	-1.0	-49.90	334.78	2.19	-47.71
CCCC(NC(=O)C1=CC=NN1CC(F)F)C1=NN=N[N-]1	REAL250004606109	0	35	-1.0	-46.97	307.83	2.49	-44.48
CCCC(NC(=O)C1=CC=NN1CC(F)F)C1=N[N-]N=N1	REAL250004606109	1	35	-1.0	-46.97	307.77	2.47	-44.50
CCCC(NC(=O)C1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004606110	0	35	-1.0	-47.34	294.81	3.36	-43.98
CCCC(NC(=O)C1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004606110	1	35	-1.0	-47.33	294.87	3.38	-43.95
CCCC(NC(=O)C1CCC(C)(C)O1)C1=N[N-]N=N1	REAL250004606111	0	39	-1.0	-49.64	316.29	3.23	-46.41
CCCC(NC(=O)C1CCC(C)(C)O1)C1=NN=N[N-]1	REAL250004606111	1	39	-1.0	-49.64	316.35	3.25	-46.39
CCCC(NC(=O)CCC1=NC(C)=CS1)C1=N[N-]N=N1	REAL250004606112	0	37	-1.0	-44.77	326.91	2.81	-41.96
CCCC(NC(=O)CCC1=NC(C)=CS1)C1=NN=N[N-]1	REAL250004606112	1	37	-1.0	-44.75	326.96	2.82	-41.93
CCCC(NC(=O)C1=NC=CN1CC)C1=NN=N[N-]1	REAL250004606113	0	35	-1.0	-46.76	297.12	2.98	-43.78
CCCC(NC(=O)C1=NC=CN1CC)C1=N[N-]N=N1	REAL250004606113	1	35	-1.0	-46.78	297.06	2.97	-43.81
CCCC(NC(=O)C1=COC(C2CCC2)=N1)C1=N[N-]N=N1	REAL250004606114	0	38	-1.0	-45.06	323.35	1.03	-44.03
CCCC(NC(=O)C1=COC(C2CCC2)=N1)C1=NN=N[N-]1	REAL250004606114	1	38	-1.0	-45.07	323.41	1.05	-44.02
CCCC(NC(=O)C1=C(CC)OC=C1)C1=N[N-]N=N1	REAL250004606115	0	35	-1.0	-46.07	297.45	3.17	-42.90
CCCC(NC(=O)C1=C(CC)OC=C1)C1=NN=N[N-]1	REAL250004606115	1	35	-1.0	-46.04	297.51	3.19	-42.85
CCCC(NC(=O)C1C(C)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606116	0	42	-1.0	-45.62	346.90	6.21	-39.41
CCCC(NC(=O)C1C(C)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606116	1	42	-1.0	-45.63	346.96	6.22	-39.41
C#CC1=CN=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL250004606117	0	33	-1.0	-46.06	296.57	3.03	-43.03
C#CC1=CN=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL250004606117	1	33	-1.0	-46.07	296.63	3.04	-43.03
CCCC(NC(=O)CC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004606118	0	37	-1.0	-40.43	307.05	3.45	-36.98
CCCC(NC(=O)CC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004606118	1	37	-1.0	-40.42	307.11	3.46	-36.96
CCCC(NC(=O)C1=CC=CN=C1F)C1=NN=N[N-]1	REAL250004606119	0	31	-1.0	-52.68	273.91	1.84	-50.84
CCCC(NC(=O)C1=CC=CN=C1F)C1=N[N-]N=N1	REAL250004606119	1	31	-1.0	-52.69	273.85	1.82	-50.87
CCCC(NC(=O)C1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004606120	0	32	-1.0	-46.32	280.32	-1.02	-47.34
CCCC(NC(=O)C1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004606120	1	32	-1.0	-46.34	280.38	-1.01	-47.35
CCCC(NC(=O)C1=CC=NC(C)=C1)C1=N[N-]N=N1	REAL250004606121	0	34	-1.0	-45.23	291.09	2.46	-42.77
CCCC(NC(=O)C1=CC=NC(C)=C1)C1=NN=N[N-]1	REAL250004606121	1	34	-1.0	-45.30	291.15	2.47	-42.83
CCCC(NC(=O)CCC1=NC=CN1)C1=N[N-]N=N1	REAL250004606122	0	35	-1.0	-48.40	299.71	1.78	-46.62
CCCC(NC(=O)CCC1=NC=CN1)C1=NN=N[N-]1	REAL250004606122	1	35	-1.0	-48.43	299.77	1.80	-46.63
CCCC(NC(=O)C(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606123	0	37	-1.0	-50.90	309.67	2.91	-47.99
CCCC(NC(=O)C(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606123	1	37	-1.0	-50.92	309.72	2.93	-47.99
CCCC(NC(=O)C1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL250004606124	0	35	-1.0	-52.31	313.19	2.60	-49.71
CCCC(NC(=O)C1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL250004606124	1	35	-1.0	-52.28	313.13	2.58	-49.70
CCCC(NC(=O)C1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004606125	0	35	-1.0	-56.38	301.21	1.83	-54.55
CCCC(NC(=O)C1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004606125	1	35	-1.0	-56.39	301.15	1.82	-54.57
CCCC(NC(=O)C1CCC(O)CC1)C1=N[N-]N=N1	REAL250004606126	0	39	-1.0	-48.25	309.10	0.66	-47.59
CCCC(NC(=O)C1CCC(O)CC1)C1=NN=N[N-]1	REAL250004606126	1	39	-1.0	-48.27	309.14	0.68	-47.59
CCCC(NC(=O)C1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL250004606127	0	36	-1.0	-50.52	307.11	0.93	-49.59
CCCC(NC(=O)C1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL250004606127	1	36	-1.0	-50.58	307.17	0.95	-49.63
CCCC(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004606128	0	28	-1.0	-45.51	261.51	0.79	-44.72
CCCC(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004606128	1	28	-1.0	-45.52	261.45	0.77	-44.75
CCCC(NC(=O)CC1=NC(CC)=CS1)C1=N[N-]N=N1	REAL250004606129	0	37	-1.0	-46.85	326.66	2.77	-44.08
CCCC(NC(=O)CC1=NC(CC)=CS1)C1=NN=N[N-]1	REAL250004606129	1	37	-1.0	-46.86	326.72	2.78	-44.08
CCCC(NC(=O)CC1CCCOC1)C1=N[N-]N=N1	REAL250004606130	0	39	-1.0	-48.01	309.75	2.20	-45.81
CCCC(NC(=O)CC1CCCOC1)C1=NN=N[N-]1	REAL250004606130	1	39	-1.0	-47.96	309.81	2.21	-45.75
CCCC(NC(=O)CCC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004606131	0	36	-1.0	-47.05	309.31	1.45	-45.60
CCCC(NC(=O)CCC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004606131	1	36	-1.0	-47.08	309.36	1.47	-45.61
CCCC(NC(=O)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004606132	0	35	-1.0	-50.60	307.67	1.22	-49.38
CCCC(NC(=O)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004606132	1	35	-1.0	-50.54	307.61	1.20	-49.34
CCCC(NC(=O)C1=NC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL250004606133	0	35	-1.0	-53.69	308.61	1.94	-51.75
CCCC(NC(=O)C1=NC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL250004606133	1	35	-1.0	-53.72	308.55	1.93	-51.79
CCCC(NC(=O)C1=CC=C(C)C(CO)=C1)C1=N[N-]N=N1	REAL250004606134	0	39	-1.0	-52.91	323.23	1.68	-51.23
CCCC(NC(=O)C1=CC=C(C)C(CO)=C1)C1=NN=N[N-]1	REAL250004606134	1	39	-1.0	-52.91	323.29	1.70	-51.21
CCCC(NC(=O)C1=C2C(=CC=C1)N=CN2C)C1=NN=N[N-]1	REAL250004606135	0	38	-1.0	-47.74	317.21	4.75	-42.99
CCCC(NC(=O)C1=C2C(=CC=C1)N=CN2C)C1=N[N-]N=N1	REAL250004606135	1	38	-1.0	-47.69	317.15	4.74	-42.95
CCCC(NC(=O)C1=NOC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL250004606136	0	34	-1.0	-42.74	310.06	1.71	-41.03
CCCC(NC(=O)C1=NOC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL250004606136	1	34	-1.0	-42.71	310.00	1.70	-41.01
CCCC(NC(=O)C1=C(C)N(C)C=C1)C1=N[N-]N=N1	REAL250004606137	0	36	-1.0	-49.95	299.52	3.67	-46.28
CCCC(NC(=O)C1=C(C)N(C)C=C1)C1=NN=N[N-]1	REAL250004606137	1	36	-1.0	-49.97	299.58	3.69	-46.28
CCCC(NC(=O)C1=CN(C(C)C)C=N1)C1=NN=N[N-]1	REAL250004606138	0	38	-1.0	-49.64	321.31	4.16	-45.48
CCCC(NC(=O)C1=CN(C(C)C)C=N1)C1=N[N-]N=N1	REAL250004606138	1	38	-1.0	-49.60	321.25	4.14	-45.46
C=CC(C)(O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606139	0	36	-1.0	-47.25	295.78	1.12	-46.13
C=CC(C)(O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606139	1	36	-1.0	-47.28	295.84	1.13	-46.15
CCCC(NC(=O)CSCC(C)=O)C1=N[N-]N=N1	REAL250004606140	0	34	-1.0	-55.40	306.47	2.55	-52.85
CCCC(NC(=O)CSCC(C)=O)C1=NN=N[N-]1	REAL250004606140	1	34	-1.0	-55.37	306.53	2.57	-52.80
CCCC(NC(=O)CC1=NC=CC=C1OC)C1=N[N-]N=N1	REAL250004606141	0	38	-1.0	-49.88	322.27	1.82	-48.06
CCCC(NC(=O)CC1=NC=CC=C1OC)C1=NN=N[N-]1	REAL250004606141	1	38	-1.0	-49.86	322.33	1.83	-48.03
CCCC(NC(=O)C1=C(C)OCCS1)C1=N[N-]N=N1	REAL250004606142	0	35	-1.0	-45.60	297.79	2.58	-43.02
CCCC(NC(=O)C1=C(C)OCCS1)C1=NN=N[N-]1	REAL250004606142	1	35	-1.0	-45.62	297.85	2.59	-43.03
CCCC(NC(=O)C(=O)C1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004606143	0	35	-1.0	-42.64	305.62	0.62	-42.02
CCCC(NC(=O)C(=O)C1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004606143	1	35	-1.0	-42.65	305.68	0.63	-42.02
CCCC(NC(=O)C1CCOCC1C)C1=N[N-]N=N1	REAL250004606144	0	39	-1.0	-46.19	300.97	1.96	-44.23
CCCC(NC(=O)C1CCOCC1C)C1=NN=N[N-]1	REAL250004606144	1	39	-1.0	-46.15	301.02	1.97	-44.18
CCCC(NC(=O)C1CC2CCCC(C2)C1)C1=N[N-]N=N1	REAL250004606145	0	45	-1.0	-46.01	334.43	5.26	-40.75
CCCC(NC(=O)C1CC2CCCC(C2)C1)C1=NN=N[N-]1	REAL250004606145	1	45	-1.0	-46.04	334.48	5.28	-40.76
CCCC(NC(=O)C1=NSC(C)=C1)C1=N[N-]N=N1	REAL250004606146	0	31	-1.0	-46.10	282.73	1.90	-44.20
CCCC(NC(=O)C1=NSC(C)=C1)C1=NN=N[N-]1	REAL250004606146	1	31	-1.0	-46.11	282.79	1.92	-44.19
CCCC(NC(=O)C1=CN=CC(CC)=C1)C1=NN=N[N-]1	REAL250004606147	0	37	-1.0	-45.47	312.27	3.27	-42.20
CCCC(NC(=O)C1=CN=CC(CC)=C1)C1=N[N-]N=N1	REAL250004606147	1	37	-1.0	-45.47	312.22	3.25	-42.22
CCCC(NC(=O)C1=CC=C(C(C)=O)O1)C1=N[N-]N=N1	REAL250004606148	0	34	-1.0	-42.79	304.23	2.29	-40.50
CCCC(NC(=O)C1=CC=C(C(C)=O)O1)C1=NN=N[N-]1	REAL250004606148	1	34	-1.0	-42.79	304.29	2.31	-40.48
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004606149	0	38	-1.0	-46.47	323.64	4.43	-42.04
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004606149	1	38	-1.0	-46.49	323.70	4.45	-42.04
CCCC(NC(=O)CN1C=CC(C)=CC1=O)C1=N[N-]N=N1	REAL250004606150	0	38	-1.0	-50.42	324.55	3.58	-46.84
CCCC(NC(=O)CN1C=CC(C)=CC1=O)C1=NN=N[N-]1	REAL250004606150	1	38	-1.0	-50.42	324.61	3.59	-46.83
CCCC(NC(=O)CC1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004606151	0	34	-1.0	-49.81	299.24	2.46	-47.35
CCCC(NC(=O)CC1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004606151	1	34	-1.0	-49.82	299.30	2.47	-47.35
CCCC(NC(=O)C1=NC=CC(C)=N1)C1=N[N-]N=N1	REAL250004606152	0	33	-1.0	-52.16	288.81	1.72	-50.44
CCCC(NC(=O)C1=NC=CC(C)=N1)C1=NN=N[N-]1	REAL250004606152	1	33	-1.0	-52.16	288.86	1.73	-50.43
CCCC(NC(=O)CCC1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004606153	0	38	-1.0	-50.97	324.92	1.99	-48.98
CCCC(NC(=O)CCC1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004606153	1	38	-1.0	-51.03	324.98	2.00	-49.03
CCCC(NC(=O)COC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004606154	0	45	-1.0	-49.71	354.15	4.99	-44.72
CCCC(NC(=O)COC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004606154	1	45	-1.0	-49.71	354.20	5.01	-44.70
CCCC(NC(=O)CCOCC(F)F)C1=N[N-]N=N1	REAL250004606155	0	35	-1.0	-46.20	307.45	1.67	-44.53
CCCC(NC(=O)CCOCC(F)F)C1=NN=N[N-]1	REAL250004606155	1	35	-1.0	-46.19	307.51	1.68	-44.51
CCCC(NC(=O)C(F)CC1CCCCC1)C1=N[N-]N=N1	REAL250004606156	0	44	-1.0	-45.62	347.00	5.30	-40.32
CCCC(NC(=O)C(F)CC1CCCCC1)C1=NN=N[N-]1	REAL250004606156	1	44	-1.0	-45.58	347.06	5.31	-40.27
CCCC(NC(=O)CC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004606157	0	38	-1.0	-50.95	325.18	3.01	-47.94
CCCC(NC(=O)CC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004606157	1	38	-1.0	-50.95	325.23	3.03	-47.92
CCCC(NC(=O)CC1CCC(=O)C1C)C1=N[N-]N=N1	REAL250004606158	0	40	-1.0	-45.01	325.74	3.64	-41.37
CCCC(NC(=O)CC1CCC(=O)C1C)C1=NN=N[N-]1	REAL250004606158	1	40	-1.0	-45.01	325.80	3.66	-41.35
CCCC(NC(=O)CC1CCCC(OC)C1)C1=N[N-]N=N1	REAL250004606159	0	45	-1.0	-44.61	351.21	3.57	-41.04
CCCC(NC(=O)CC1CCCC(OC)C1)C1=NN=N[N-]1	REAL250004606159	1	45	-1.0	-44.64	351.26	3.59	-41.05
CCCC(NC(=O)C1CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004606160	0	36	-1.0	-43.54	310.53	4.93	-38.61
CCCC(NC(=O)C1CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004606160	1	36	-1.0	-43.55	310.59	4.95	-38.60
CCCC(NC(=O)C1=CC=C2C=CCCC2=C1)C1=N[N-]N=N1	REAL250004606161	0	40	-1.0	-47.82	329.41	6.00	-41.82
CCCC(NC(=O)C1=CC=C2C=CCCC2=C1)C1=NN=N[N-]1	REAL250004606161	1	40	-1.0	-47.78	329.46	6.01	-41.77
CCCC(NC(=O)C(OC)C1CC1)C1=N[N-]N=N1	REAL250004606162	0	36	-1.0	-45.87	300.66	3.16	-42.71
CCCC(NC(=O)C(OC)C1CC1)C1=NN=N[N-]1	REAL250004606162	1	36	-1.0	-45.90	300.72	3.17	-42.73
CCCC(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=N[N-]N=N1	REAL250004606163	0	42	-1.0	-46.10	328.64	1.30	-44.80
CCCC(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=NN=N[N-]1	REAL250004606163	1	42	-1.0	-46.13	328.70	1.32	-44.81
CCCC(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=N[N-]N=N1	REAL250004606164	0	42	-1.0	-46.06	328.64	1.30	-44.76
CCCC(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=NN=N[N-]1	REAL250004606164	1	42	-1.0	-46.11	328.69	1.32	-44.79
CCCC(NC(=O)C(F)=CC1CCCCC1)C1=N[N-]N=N1	REAL250004606165	0	42	-1.0	-41.28	340.19	5.26	-36.02
CCCC(NC(=O)C(F)=CC1CCCCC1)C1=NN=N[N-]1	REAL250004606165	1	42	-1.0	-41.31	340.24	5.28	-36.03
CCCC(NC(=O)C1=CN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004606166	0	40	-1.0	-46.23	335.59	1.90	-44.33
CCCC(NC(=O)C1=CN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004606166	1	40	-1.0	-46.21	335.53	1.88	-44.33
CCCC(NC(=O)C1CN(C(C)C)CCO1)C1=N[N-]N=N1	REAL250004606167	0	44	-1.0	-47.91	343.73	1.41	-46.50
CCCC(NC(=O)C1CN(C(C)C)CCO1)C1=NN=N[N-]1	REAL250004606167	1	44	-1.0	-47.87	343.79	1.43	-46.44
CCCC(NC(=O)C1=C(C#N)N(C)N=C1)C1=NN=N[N-]1	REAL250004606168	0	33	-1.0	-48.99	297.71	1.50	-47.49
CCCC(NC(=O)C1=C(C#N)N(C)N=C1)C1=N[N-]N=N1	REAL250004606168	1	33	-1.0	-49.00	297.65	1.49	-47.51
CCCC(NC(=O)C=CC1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004606169	0	37	-1.0	-49.89	317.57	4.55	-45.34
CCCC(NC(=O)C=CC1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004606169	1	37	-1.0	-49.89	317.63	4.56	-45.33
CCCC(NC(=O)C1=NC=C(C)C=C1OC)C1=NN=N[N-]1	REAL250004606170	0	38	-1.0	-52.50	320.52	3.12	-49.38
CCCC(NC(=O)C1=NC=C(C)C=C1OC)C1=N[N-]N=N1	REAL250004606170	1	38	-1.0	-52.53	320.46	3.10	-49.43
CCCC(NC(=O)C(OC)C(C)CC)C1=N[N-]N=N1	REAL250004606171	0	41	-1.0	-49.34	324.09	3.31	-46.03
CCCC(NC(=O)C(OC)C(C)CC)C1=NN=N[N-]1	REAL250004606171	1	41	-1.0	-49.35	324.15	3.32	-46.03
CCCC(NC(=O)C1=CC=C(CO)C(F)=C1)C1=N[N-]N=N1	REAL250004606172	0	36	-1.0	-45.49	310.78	1.17	-44.32
CCCC(NC(=O)C1=CC=C(CO)C(F)=C1)C1=NN=N[N-]1	REAL250004606172	1	36	-1.0	-45.48	310.84	1.18	-44.30
CCCC(NC(=O)C1=NC=C(Cl)S1)C1=NN=N[N-]1	REAL250004606173	0	28	-1.0	-44.68	278.77	1.31	-43.37
CCCC(NC(=O)C1=NC=C(Cl)S1)C1=N[N-]N=N1	REAL250004606173	1	28	-1.0	-44.71	278.71	1.29	-43.42
CCCC(NC(=O)CCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004606174	0	43	-1.0	-44.01	349.29	4.13	-39.88
CCCC(NC(=O)CCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004606174	1	43	-1.0	-44.00	349.34	4.15	-39.85
CCCC(NC(=O)C1=NC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004606176	0	31	-1.0	-45.83	282.54	2.08	-43.75
CCCC(NC(=O)C1=NC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004606176	1	31	-1.0	-45.84	282.48	2.06	-43.78
CCCC(NC(=O)C1=CC(O)=CC=C1Cl)C1=N[N-]N=N1	REAL250004606177	0	33	-1.0	-47.13	297.84	1.28	-45.85
CCCC(NC(=O)C1=CC(O)=CC=C1Cl)C1=NN=N[N-]1	REAL250004606177	1	33	-1.0	-47.13	297.89	1.29	-45.84
CCCC(NC(=O)C1=CN=CC(OC)=N1)C1=NN=N[N-]1	REAL250004606178	0	34	-1.0	-42.93	298.61	-1.40	-44.33
CCCC(NC(=O)C1=CN=CC(OC)=N1)C1=N[N-]N=N1	REAL250004606178	1	34	-1.0	-42.95	298.55	-1.41	-44.36
CCCC(NC(=O)C[C@H]1CCOC1)C1=N[N-]N=N1	REAL250004606179	0	36	-1.0	-47.74	293.14	1.37	-46.37
CCCC(NC(=O)C[C@H]1CCOC1)C1=NN=N[N-]1	REAL250004606179	1	36	-1.0	-47.71	293.20	1.39	-46.32
CCCC(NC(=O)C1=CN=C2CCCCN12)C1=N[N-]N=N1	REAL250004606180	0	39	-1.0	-49.59	315.17	3.82	-45.77
CCCC(NC(=O)C1=CN=C2CCCCN12)C1=NN=N[N-]1	REAL250004606180	1	39	-1.0	-49.52	315.23	3.84	-45.68
CCCC(NC(=O)C1=C(Cl)OC=C1)C1=N[N-]N=N1	REAL250004606181	0	29	-1.0	-46.82	272.63	2.18	-44.64
CCCC(NC(=O)C1=C(Cl)OC=C1)C1=NN=N[N-]1	REAL250004606181	1	29	-1.0	-46.82	272.69	2.20	-44.62
CCCC(NC(=O)C1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL250004606182	0	35	-1.0	-48.13	308.22	4.80	-43.33
CCCC(NC(=O)C1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL250004606182	1	35	-1.0	-48.09	308.28	4.81	-43.28
CCCC(NC(=O)C1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004606183	0	37	-1.0	-46.80	315.67	4.02	-42.78
CCCC(NC(=O)C1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004606183	1	37	-1.0	-46.79	315.61	4.01	-42.78
CCCC(NC(=O)C(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004606185	0	35	-1.0	-45.52	299.08	2.90	-42.62
CCCC(NC(=O)C(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004606185	1	35	-1.0	-45.54	299.13	2.92	-42.62
CCCC(NC(=O)CCC(C)CC)C1=N[N-]N=N1	REAL250004606186	0	40	-1.0	-44.95	317.71	4.02	-40.93
CCCC(NC(=O)CCC(C)CC)C1=NN=N[N-]1	REAL250004606186	1	40	-1.0	-44.94	317.76	4.04	-40.90
CCCC(NC(=O)C1=C2CCCC2=CO1)C1=N[N-]N=N1	REAL250004606187	0	36	-1.0	-47.77	303.93	3.56	-44.21
CCCC(NC(=O)C1=C2CCCC2=CO1)C1=NN=N[N-]1	REAL250004606187	1	36	-1.0	-47.76	303.98	3.57	-44.19
CCCC(NC(=O)C1=C(CC(N)=O)OC=C1)C1=N[N-]N=N1	REAL250004606188	0	36	-1.0	-50.46	313.73	-0.77	-51.23
CCCC(NC(=O)C1=C(CC(N)=O)OC=C1)C1=NN=N[N-]1	REAL250004606188	1	36	-1.0	-50.43	313.79	-0.75	-51.18
CCCC(NC(=O)C(O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004606189	0	35	-1.0	-48.88	301.53	0.59	-48.29
CCCC(NC(=O)C(O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004606189	1	35	-1.0	-48.85	301.48	0.57	-48.28
CCCC(NC(=O)CC1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004606190	0	34	-1.0	-51.35	295.85	2.48	-48.87
CCCC(NC(=O)CC1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004606190	1	34	-1.0	-51.39	295.90	2.50	-48.89
CCCC(NC(=O)C1=C2CCOCC2=CO1)C1=N[N-]N=N1	REAL250004606191	0	37	-1.0	-47.87	310.46	1.67	-46.20
CCCC(NC(=O)C1=C2CCOCC2=CO1)C1=NN=N[N-]1	REAL250004606191	1	37	-1.0	-47.82	310.52	1.68	-46.14
CCCC(NC(=O)C1CCOC1CC)C1=N[N-]N=N1	REAL250004606192	0	39	-1.0	-45.10	316.21	2.21	-42.89
CCCC(NC(=O)C1CCOC1CC)C1=NN=N[N-]1	REAL250004606192	1	39	-1.0	-45.15	316.27	2.22	-42.93
CCCC(NC(=O)COCC1=NC=C(C)O1)C1=N[N-]N=N1	REAL250004606193	0	38	-1.0	-55.62	330.81	0.22	-55.40
CCCC(NC(=O)COCC1=NC=C(C)O1)C1=NN=N[N-]1	REAL250004606193	1	38	-1.0	-55.62	330.87	0.25	-55.37
CCCC(NC(=O)C1=CN=C(COC)S1)C1=N[N-]N=N1	REAL250004606194	0	35	-1.0	-46.29	317.06	0.53	-45.76
CCCC(NC(=O)C1=CN=C(COC)S1)C1=NN=N[N-]1	REAL250004606194	1	35	-1.0	-46.31	317.12	0.54	-45.77
CCCC(NC(=O)COCC(=O)OC)C1=N[N-]N=N1	REAL250004606195	0	35	-1.0	-57.01	307.99	2.13	-54.88
CCCC(NC(=O)COCC(=O)OC)C1=NN=N[N-]1	REAL250004606195	1	35	-1.0	-57.01	308.05	2.15	-54.86
CCCC(NC(=O)C1=C(C)OC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004606196	0	40	-1.0	-45.10	337.18	1.17	-43.93
CCCC(NC(=O)C1=C(C)OC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004606196	1	40	-1.0	-45.08	337.23	1.18	-43.90
CCCC(NC(=O)CCCCC(C)(C)C)C1=N[N-]N=N1	REAL250004606197	0	46	-1.0	-45.13	358.63	5.33	-39.80
CCCC(NC(=O)CCCCC(C)(C)C)C1=NN=N[N-]1	REAL250004606197	1	46	-1.0	-45.13	358.69	5.34	-39.79
CCCC(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=N[N-]N=N1	REAL250004606198	0	39	-1.0	-48.64	322.12	-4.62	-53.26
CCCC(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=NN=N[N-]1	REAL250004606198	1	39	-1.0	-48.65	322.18	-4.60	-53.25
CCCC(NC(=O)C1=NN2C=CC=NC2=C1)C1=NN=N[N-]1	REAL250004606199	0	34	-1.0	-53.76	300.49	2.43	-51.33
CCCC(NC(=O)C1=NN2C=CC=NC2=C1)C1=N[N-]N=N1	REAL250004606199	1	34	-1.0	-53.72	300.43	2.41	-51.31
CCCC(NC(=O)C1CCC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004606200	0	38	-1.0	-49.66	315.23	3.69	-45.97
CCCC(NC(=O)C1CCC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004606200	1	38	-1.0	-49.63	315.29	3.70	-45.93
CCCC(NC(=O)CCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004606201	0	44	-1.0	-47.68	350.24	3.25	-44.43
CCCC(NC(=O)CCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004606201	1	44	-1.0	-47.69	350.29	3.27	-44.42
CCCC(NC(=O)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL250004606202	0	38	-1.0	-44.90	305.93	3.70	-41.20
CCCC(NC(=O)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL250004606202	1	38	-1.0	-44.90	305.99	3.71	-41.19
CCCC(NC(=O)C1=CSC(C)=C1)C1=N[N-]N=N1	REAL250004606203	0	32	-1.0	-46.96	287.49	3.35	-43.61
CCCC(NC(=O)C1=CSC(C)=C1)C1=NN=N[N-]1	REAL250004606203	1	32	-1.0	-46.98	287.54	3.36	-43.62
CCCC(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004606204	0	31	-1.0	-42.00	286.61	1.78	-40.22
CCCC(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004606204	1	31	-1.0	-42.07	286.66	1.79	-40.28
CCCC(NC(=O)C1=C(C)OC(C(C)C)=C1)C1=N[N-]N=N1	REAL250004606205	0	41	-1.0	-45.28	340.13	4.64	-40.64
CCCC(NC(=O)C1=C(C)OC(C(C)C)=C1)C1=NN=N[N-]1	REAL250004606205	1	41	-1.0	-45.30	340.19	4.65	-40.65
CCCC(NC(=O)C(C)C1=NC(C)=CS1)C1=N[N-]N=N1	REAL250004606206	0	37	-1.0	-45.33	322.95	2.61	-42.72
CCCC(NC(=O)C(C)C1=NC(C)=CS1)C1=NN=N[N-]1	REAL250004606206	1	37	-1.0	-45.32	323.01	2.63	-42.69
CCCC(NC(=O)C1=C(C)C(C)=CO1)C1=N[N-]N=N1	REAL250004606207	0	35	-1.0	-46.05	297.76	2.99	-43.06
CCCC(NC(=O)C1=C(C)C(C)=CO1)C1=NN=N[N-]1	REAL250004606207	1	35	-1.0	-46.05	297.82	3.01	-43.04
CCCC(NC(=O)C1=C(CC)NC=C1)C1=N[N-]N=N1	REAL250004606208	0	36	-1.0	-49.28	301.14	2.78	-46.50
CCCC(NC(=O)C1=C(CC)NC=C1)C1=NN=N[N-]1	REAL250004606208	1	36	-1.0	-49.32	301.20	2.79	-46.53
CCCC(NC(=O)C1=C(C(C)C)NC=C1)C1=N[N-]N=N1	REAL250004606209	0	39	-1.0	-49.99	321.23	3.37	-46.62
CCCC(NC(=O)C1=C(C(C)C)NC=C1)C1=NN=N[N-]1	REAL250004606209	1	39	-1.0	-49.97	321.29	3.38	-46.59
CCCC(NC(=O)CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL250004606210	0	37	-1.0	-47.26	310.72	2.96	-44.30
CCCC(NC(=O)CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL250004606210	1	37	-1.0	-47.29	310.78	2.99	-44.30
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606211	0	39	-1.0	-45.81	326.83	5.64	-40.17
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606211	1	39	-1.0	-45.78	326.89	5.66	-40.12
CCCC(NC(=O)C1=C(Cl)C=CS1)C1=N[N-]N=N1	REAL250004606212	0	29	-1.0	-46.83	280.15	3.15	-43.68
CCCC(NC(=O)C1=C(Cl)C=CS1)C1=NN=N[N-]1	REAL250004606212	1	29	-1.0	-46.85	280.20	3.17	-43.68
CCCC(NC(=O)CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004606213	0	38	-1.0	-49.24	326.84	4.66	-44.58
CCCC(NC(=O)CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004606213	1	38	-1.0	-49.25	326.90	4.67	-44.58
CCCC(NC(=O)COCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004606214	0	39	-1.0	-53.60	334.23	2.37	-51.23
CCCC(NC(=O)COCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004606214	1	39	-1.0	-53.57	334.29	2.38	-51.19
CCCC(NC(=O)C1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004606215	0	31	-1.0	-45.11	274.93	-0.22	-45.33
CCCC(NC(=O)C1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004606215	1	31	-1.0	-45.13	274.87	-0.24	-45.37
CCCC(NC(=O)C1=CN2C=NC=C2C=C1)C1=N[N-]N=N1	REAL250004606216	0	35	-1.0	-45.48	301.24	5.05	-40.43
CCCC(NC(=O)C1=CN2C=NC=C2C=C1)C1=NN=N[N-]1	REAL250004606216	1	35	-1.0	-45.50	301.29	5.06	-40.44
CCCC(NC(=O)C1COC(=O)N1)C1=N[N-]N=N1	REAL250004606217	0	31	-1.0	-50.75	271.34	-2.11	-52.86
CCCC(NC(=O)C1COC(=O)N1)C1=NN=N[N-]1	REAL250004606217	1	31	-1.0	-50.77	271.39	-2.09	-52.86
CCCC(NC(=O)C1=C(C)OC=C1C)C1=N[N-]N=N1	REAL250004606218	0	35	-1.0	-45.87	303.13	3.03	-42.84
CCCC(NC(=O)C1=C(C)OC=C1C)C1=NN=N[N-]1	REAL250004606218	1	35	-1.0	-45.89	303.18	3.04	-42.85
CCCC(NC(=O)C1=C(COC)N=CS1)C1=N[N-]N=N1	REAL250004606219	0	35	-1.0	-46.90	312.13	0.43	-46.47
CCCC(NC(=O)C1=C(COC)N=CS1)C1=NN=N[N-]1	REAL250004606219	1	35	-1.0	-46.85	312.18	0.44	-46.41
CCCC(NC(=O)C1=CC=NC2=NNN=C21)C1=NN=N[N-]1	REAL250004606220	0	33	-1.0	-53.87	290.23	0.29	-53.58
CCCC(NC(=O)C1=CC=NC2=NNN=C21)C1=N[N-]N=N1	REAL250004606220	1	33	-1.0	-53.88	290.17	0.27	-53.61
CCCC(NC(=O)C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL250004606221	0	36	-1.0	-43.70	321.74	1.72	-41.98
CCCC(NC(=O)C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL250004606221	1	36	-1.0	-43.69	321.80	1.73	-41.96
CCCC(NC(=O)CCCC1=NC=CS1)C1=N[N-]N=N1	REAL250004606222	0	37	-1.0	-50.05	326.61	3.00	-47.05
CCCC(NC(=O)CCCC1=NC=CS1)C1=NN=N[N-]1	REAL250004606222	1	37	-1.0	-50.05	326.66	3.02	-47.03
CCCC(NC(=O)CN1C=CN=C1C)C1=N[N-]N=N1	REAL250004606223	0	35	-1.0	-49.86	300.50	3.18	-46.68
CCCC(NC(=O)CN1C=CN=C1C)C1=NN=N[N-]1	REAL250004606223	1	35	-1.0	-49.88	300.56	3.21	-46.67
CCCC(NC(=O)C1=CN(C)N=C1COC)C1=N[N-]N=N1	REAL250004606224	0	39	-1.0	-51.79	331.09	1.01	-50.78
CCCC(NC(=O)C1=CN(C)N=C1COC)C1=NN=N[N-]1	REAL250004606224	1	39	-1.0	-51.78	331.15	1.03	-50.75
CCCC(NC(=O)C1=NN(C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004606225	0	32	-1.0	-45.73	295.98	1.78	-43.95
CCCC(NC(=O)C1=NN(C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004606225	1	32	-1.0	-45.73	295.92	1.76	-43.97
CCCC(NC(=O)C=CC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004606226	0	43	-1.0	-46.43	336.53	2.98	-43.45
CCCC(NC(=O)C=CC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004606226	1	43	-1.0	-46.43	336.59	2.99	-43.44
CCCC(NC(=O)C1=CN=C(F)C(C)=C1)C1=NN=N[N-]1	REAL250004606227	0	34	-1.0	-42.72	296.10	2.42	-40.30
CCCC(NC(=O)C1=CN=C(F)C(C)=C1)C1=N[N-]N=N1	REAL250004606227	1	34	-1.0	-42.68	296.04	2.41	-40.27
CCCC(NC(=O)C1=CC(C#N)=CC=C1F)C1=N[N-]N=N1	REAL250004606228	0	33	-1.0	-48.96	299.66	4.10	-44.86
CCCC(NC(=O)C1=CC(C#N)=CC=C1F)C1=NN=N[N-]1	REAL250004606228	1	33	-1.0	-48.96	299.71	4.11	-44.85
CCCC(NC(=O)C1=CC(C=O)=CN1C)C1=N[N-]N=N1	REAL250004606230	0	35	-1.0	-51.60	303.48	2.81	-48.79
CCCC(NC(=O)C1=CC(C=O)=CN1C)C1=NN=N[N-]1	REAL250004606230	1	35	-1.0	-51.62	303.54	2.82	-48.80
CCCC(NC(=O)C1=CC=C(C=O)N1C)C1=N[N-]N=N1	REAL250004606231	0	35	-1.0	-46.04	302.11	2.57	-43.47
CCCC(NC(=O)C1=CC=C(C=O)N1C)C1=NN=N[N-]1	REAL250004606231	1	35	-1.0	-46.02	302.17	2.59	-43.43
CCCC(NC(=O)CCC1=NNN=C1)C1=N[N-]N=N1	REAL250004606232	0	34	-1.0	-45.99	294.11	0.16	-45.83
CCCC(NC(=O)CCC1=NNN=C1)C1=NN=N[N-]1	REAL250004606232	1	34	-1.0	-45.99	294.17	0.18	-45.81
CCCC(NC(=O)CC1=CC=C(CC)C=N1)C1=N[N-]N=N1	REAL250004606233	0	40	-1.0	-53.45	335.30	4.09	-49.36
CCCC(NC(=O)CC1=CC=C(CC)C=N1)C1=NN=N[N-]1	REAL250004606233	1	40	-1.0	-53.47	335.35	4.11	-49.36
CCCC(NC(=O)CCC1(O)CCC1)C1=N[N-]N=N1	REAL250004606234	0	39	-1.0	-46.52	316.44	0.97	-45.55
CCCC(NC(=O)CCC1(O)CCC1)C1=NN=N[N-]1	REAL250004606234	1	39	-1.0	-46.55	316.50	0.99	-45.56
CCCC(NC(=O)C1=CN(CC2CC2)N=N1)C1=NN=N[N-]1	REAL250004606235	0	38	-1.0	-46.14	328.34	2.37	-43.77
CCCC(NC(=O)C1=CN(CC2CC2)N=N1)C1=N[N-]N=N1	REAL250004606235	1	38	-1.0	-46.14	328.29	2.35	-43.79
CCCC(NC(=O)C1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004606236	0	37	-1.0	-47.84	315.33	4.13	-43.71
CCCC(NC(=O)C1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004606236	1	37	-1.0	-47.81	315.27	4.12	-43.69
CCCC(NC(=O)C1=CC=C(C)C2=C1CCC2)C1=N[N-]N=N1	REAL250004606237	0	42	-1.0	-48.44	336.39	6.08	-42.36
CCCC(NC(=O)C1=CC=C(C)C2=C1CCC2)C1=NN=N[N-]1	REAL250004606237	1	42	-1.0	-48.46	336.44	6.10	-42.36
CCCC(NC(=O)C1=C(C)SC=C1)C1=N[N-]N=N1	REAL250004606238	0	32	-1.0	-45.91	283.71	3.33	-42.58
CCCC(NC(=O)C1=C(C)SC=C1)C1=NN=N[N-]1	REAL250004606238	1	32	-1.0	-45.89	283.76	3.35	-42.54
CCCC(NC(=O)CC1(O)CCC1)C1=N[N-]N=N1	REAL250004606239	0	36	-1.0	-43.82	293.61	1.46	-42.36
CCCC(NC(=O)CC1(O)CCC1)C1=NN=N[N-]1	REAL250004606239	1	36	-1.0	-43.83	293.67	1.47	-42.36
CCCC(NC(=O)C1=NN(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL250004606240	0	41	-1.0	-50.52	341.45	3.43	-47.09
CCCC(NC(=O)C1=NN(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL250004606240	1	41	-1.0	-50.52	341.50	3.45	-47.07
CCCC(NC(=O)CCC1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004606241	0	37	-1.0	-47.46	317.18	1.26	-46.20
CCCC(NC(=O)CCC1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004606241	1	37	-1.0	-47.50	317.24	1.28	-46.22
CCCC(NC(=O)C(CC)CC(F)(F)F)C1=N[N-]N=N1	REAL250004606242	0	37	-1.0	-42.02	308.35	3.35	-38.67
CCCC(NC(=O)C(CC)CC(F)(F)F)C1=NN=N[N-]1	REAL250004606242	1	37	-1.0	-42.02	308.40	3.36	-38.66
CCCC(NC(=O)CC1CCC2CC21)C1=N[N-]N=N1	REAL250004606243	0	39	-1.0	-44.87	310.52	4.62	-40.25
CCCC(NC(=O)CC1CCC2CC21)C1=NN=N[N-]1	REAL250004606243	1	39	-1.0	-44.85	310.58	4.64	-40.21
CCCC(NC(=O)CC1=NN=C(C)S1)C1=N[N-]N=N1	REAL250004606244	0	33	-1.0	-48.23	300.11	1.06	-47.17
CCCC(NC(=O)CC1=NN=C(C)S1)C1=NN=N[N-]1	REAL250004606244	1	33	-1.0	-48.20	300.17	1.08	-47.12
CCCC(NC(=O)CC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL250004606245	0	38	-1.0	-50.92	325.76	5.00	-45.92
CCCC(NC(=O)CC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL250004606245	1	38	-1.0	-50.90	325.81	5.01	-45.89
CCCC(NC(=O)CCC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL250004606246	0	40	-1.0	-46.51	336.61	3.96	-42.55
CCCC(NC(=O)CCC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL250004606246	1	40	-1.0	-46.52	336.67	3.98	-42.54
CCCC(NC(=O)CCC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004606247	0	36	-1.0	-45.28	310.01	3.13	-42.15
CCCC(NC(=O)CCC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004606247	1	36	-1.0	-45.28	309.96	3.11	-42.17
CCCC(NC(=O)C1=C(C)N=C(C(C)C)O1)C1=N[N-]N=N1	REAL250004606248	0	40	-1.0	-43.66	335.57	1.04	-42.62
CCCC(NC(=O)C1=C(C)N=C(C(C)C)O1)C1=NN=N[N-]1	REAL250004606248	1	40	-1.0	-43.68	335.63	1.06	-42.62
CCCC(NC(=O)C(CC(C)C)CC(C)C)C1=N[N-]N=N1	REAL250004606249	0	49	-1.0	-46.78	370.95	6.23	-40.55
CCCC(NC(=O)C(CC(C)C)CC(C)C)C1=NN=N[N-]1	REAL250004606249	1	49	-1.0	-46.77	371.01	6.24	-40.53
CCCC(NC(=O)CCCC(=O)C1CC1)C1=N[N-]N=N1	REAL250004606250	0	40	-1.0	-54.40	336.22	4.37	-50.03
CCCC(NC(=O)CCCC(=O)C1CC1)C1=NN=N[N-]1	REAL250004606250	1	40	-1.0	-54.41	336.28	4.39	-50.02
CCCC(NC(=O)C1CC12CCSCC2)C1=N[N-]N=N1	REAL250004606251	0	40	-1.0	-46.14	325.10	4.90	-41.24
CCCC(NC(=O)C1CC12CCSCC2)C1=NN=N[N-]1	REAL250004606251	1	40	-1.0	-46.21	325.16	4.92	-41.29
CCCCCC(O)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606252	0	41	-1.0	-43.52	334.69	2.34	-41.18
CCCCCC(O)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606252	1	41	-1.0	-43.57	334.75	2.36	-41.21
CCCC(NC(=O)C1=CN=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004606253	0	35	-1.0	-49.30	300.71	2.91	-46.39
CCCC(NC(=O)C1=CN=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004606253	1	35	-1.0	-49.32	300.65	2.89	-46.43
CCCC(NC(=O)CSC(F)F)C1=N[N-]N=N1	REAL250004606254	0	29	-1.0	-44.96	275.12	2.15	-42.81
CCCC(NC(=O)CSC(F)F)C1=NN=N[N-]1	REAL250004606254	1	29	-1.0	-44.92	275.17	2.16	-42.76
CCCC(NC(=O)CN1C=C(C(C)=O)N=N1)C1=N[N-]N=N1	REAL250004606255	0	36	-1.0	-55.51	318.93	0.84	-54.67
CCCC(NC(=O)CN1C=C(C(C)=O)N=N1)C1=NN=N[N-]1	REAL250004606255	1	36	-1.0	-55.50	318.98	0.84	-54.66
CCCC(NC(=O)C#CC1=CC=CS1)C1=N[N-]N=N1	REAL250004606256	0	31	-1.0	-45.65	295.83	4.05	-41.60
CCCC(NC(=O)C#CC1=CC=CS1)C1=NN=N[N-]1	REAL250004606256	1	31	-1.0	-45.68	295.88	4.07	-41.61
CCCC(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=N[N-]N=N1	REAL250004606257	0	41	-1.0	-45.63	332.96	4.84	-40.79
CCCC(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=NN=N[N-]1	REAL250004606257	1	41	-1.0	-45.62	333.02	4.86	-40.76
CCCC(NC(=O)C1=CC2=C(CCCC2)N1)C1=N[N-]N=N1	REAL250004606258	0	40	-1.0	-47.94	324.93	3.84	-44.10
CCCC(NC(=O)C1=CC2=C(CCCC2)N1)C1=NN=N[N-]1	REAL250004606258	1	40	-1.0	-47.93	324.99	3.85	-44.08
CCCC(NC(=O)CCC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004606259	0	39	-1.0	-48.59	322.64	0.77	-47.82
CCCC(NC(=O)CCC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004606259	1	39	-1.0	-48.64	322.70	0.79	-47.85
CCCC(NC(=O)CC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004606260	0	36	-1.0	-47.62	316.17	1.52	-46.10
CCCC(NC(=O)CC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004606260	1	36	-1.0	-47.60	316.22	1.53	-46.07
CCCC(NC(=O)C1CCCCC1(F)F)C1=N[N-]N=N1	REAL250004606261	0	38	-1.0	-50.71	308.88	3.98	-46.73
CCCC(NC(=O)C1CCCCC1(F)F)C1=NN=N[N-]1	REAL250004606261	1	38	-1.0	-50.75	308.93	3.99	-46.76
CCCC(NC(=O)C1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004606262	0	44	-1.0	-45.92	331.09	4.71	-41.21
CCCC(NC(=O)C1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004606262	1	44	-1.0	-45.90	331.15	4.73	-41.17
C=C[C@@H]1OCC[C@H]1C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606263	0	37	-1.0	-44.81	306.85	1.93	-42.88
C=C[C@@H]1OCC[C@H]1C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606263	1	37	-1.0	-44.74	306.91	1.95	-42.79
CCCC(NC(=O)CC1CCOCC1OC)C1=N[N-]N=N1	REAL250004606264	0	43	-1.0	-46.00	341.47	1.25	-44.75
CCCC(NC(=O)CC1CCOCC1OC)C1=NN=N[N-]1	REAL250004606264	1	43	-1.0	-46.01	341.53	1.27	-44.74
CCCC(NC(=O)CCCC(C)C)C1=N[N-]N=N1	REAL250004606265	0	40	-1.0	-45.10	320.97	4.15	-40.95
CCCC(NC(=O)CCCC(C)C)C1=NN=N[N-]1	REAL250004606265	1	40	-1.0	-45.11	321.03	4.16	-40.95
CCCC(NC(=O)C1CCCC1CCC)C1=N[N-]N=N1	REAL250004606266	0	44	-1.0	-46.62	345.56	5.25	-41.37
CCCC(NC(=O)C1CCCC1CCC)C1=NN=N[N-]1	REAL250004606266	1	44	-1.0	-46.65	345.62	5.27	-41.38
CCCC(NC(=O)C1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL250004606267	0	32	-1.0	-46.13	293.12	1.75	-44.38
CCCC(NC(=O)C1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL250004606267	1	32	-1.0	-46.12	293.06	1.73	-44.39
CCCC(NC(=O)C1=CC(OCC)=NO1)C1=NN=N[N-]1	REAL250004606268	0	35	-1.0	-40.64	307.88	0.01	-40.63
CCCC(NC(=O)C1=CC(OCC)=NO1)C1=N[N-]N=N1	REAL250004606268	1	35	-1.0	-40.60	307.82	-0.01	-40.61
CCCC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=N[N-]N=N1	REAL250004606269	0	39	-1.0	-50.51	321.95	3.33	-47.18
CCCC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=NN=N[N-]1	REAL250004606269	1	39	-1.0	-50.52	322.01	3.34	-47.18
CCCC(NC(=O)C1=CC=NC=C1C)C1=NN=N[N-]1	REAL250004606270	0	34	-1.0	-44.57	285.78	2.54	-42.03
CCCC(NC(=O)C1=CC=NC=C1C)C1=N[N-]N=N1	REAL250004606270	1	34	-1.0	-44.52	285.72	2.52	-42.00
CCCC(NC(=O)CCCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004606271	0	45	-1.0	-54.13	362.48	4.61	-49.52
CCCC(NC(=O)CCCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004606271	1	45	-1.0	-54.16	362.54	4.63	-49.53
CCCC(NC(=O)C1=C2CCCCC2=NO1)C1=N[N-]N=N1	REAL250004606272	0	38	-1.0	-42.80	314.39	3.40	-39.40
CCCC(NC(=O)C1=C2CCCCC2=NO1)C1=NN=N[N-]1	REAL250004606272	1	38	-1.0	-42.81	314.45	3.41	-39.40
CCCC(NC(=O)CC1CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004606273	0	35	-1.0	-58.68	298.69	0.45	-58.23
CCCC(NC(=O)CC1CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004606273	1	35	-1.0	-58.67	298.75	0.47	-58.20
CCCC(NC(=O)C1=CC=C(C(N)=O)N1)C1=N[N-]N=N1	REAL250004606274	0	34	-1.0	-47.60	298.78	-1.85	-49.45
CCCC(NC(=O)C1=CC=C(C(N)=O)N1)C1=NN=N[N-]1	REAL250004606274	1	34	-1.0	-47.59	298.84	-1.84	-49.43
CCCC(NC(=O)C1=C2C=CNC2=CC=N1)C1=NN=N[N-]1	REAL250004606275	0	35	-1.0	-53.21	300.76	1.95	-51.26
CCCC(NC(=O)C1=C2C=CNC2=CC=N1)C1=N[N-]N=N1	REAL250004606275	1	35	-1.0	-53.26	300.70	1.93	-51.33
CCCC(NC(=O)C1=CSC(C#N)=C1)C1=N[N-]N=N1	REAL250004606276	0	30	-1.0	-47.24	286.23	3.08	-44.16
CCCC(NC(=O)C1=CSC(C#N)=C1)C1=NN=N[N-]1	REAL250004606276	1	30	-1.0	-47.25	286.29	3.10	-44.15
CCCC(NC(=O)C1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004606277	0	42	-1.0	-48.07	331.25	6.10	-41.97
CCCC(NC(=O)C1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004606277	1	42	-1.0	-48.03	331.30	6.12	-41.91
CCCC(NC(=O)C1=NSC=C1)C1=NN=N[N-]1	REAL250004606278	0	28	-1.0	-46.12	260.84	1.11	-45.01
CCCC(NC(=O)C1=NSC=C1)C1=N[N-]N=N1	REAL250004606278	1	28	-1.0	-46.09	260.78	1.10	-44.99
CCCC(NC(=O)C1CCCC1CC)C1=N[N-]N=N1	REAL250004606279	0	41	-1.0	-46.87	322.75	4.53	-42.34
CCCC(NC(=O)C1CCCC1CC)C1=NN=N[N-]1	REAL250004606279	1	41	-1.0	-46.82	322.81	4.54	-42.28
C#CCOC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606280	0	34	-1.0	-51.16	299.08	2.87	-48.29
C#CCOC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606280	1	34	-1.0	-51.17	299.13	2.89	-48.28
CCCC(NC(=O)C=CC1CCOC1)C1=N[N-]N=N1	REAL250004606281	0	37	-1.0	-46.97	308.58	2.01	-44.96
CCCC(NC(=O)C=CC1CCOC1)C1=NN=N[N-]1	REAL250004606281	1	37	-1.0	-46.95	308.64	2.03	-44.92
CCCC(NC(=O)C1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL250004606282	0	36	-1.0	-51.76	303.75	2.24	-49.52
CCCC(NC(=O)C1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL250004606282	1	36	-1.0	-51.78	303.81	2.26	-49.52
CCCC(NC(=O)C1=C(C)NC(C#N)=C1)C1=N[N-]N=N1	REAL250004606283	0	34	-1.0	-45.36	300.47	2.32	-43.04
CCCC(NC(=O)C1=C(C)NC(C#N)=C1)C1=NN=N[N-]1	REAL250004606283	1	34	-1.0	-45.34	300.53	2.34	-43.00
CCCC(NC(=O)C1=C2CCCN2N=C1)C1=N[N-]N=N1	REAL250004606284	0	36	-1.0	-49.33	303.06	2.15	-47.18
CCCC(NC(=O)C1=C2CCCN2N=C1)C1=NN=N[N-]1	REAL250004606284	1	36	-1.0	-49.33	303.12	2.17	-47.16
CCCC(NC(=O)C=CC1=CNN=C1)C1=NN=N[N-]1	REAL250004606285	0	33	-1.0	-48.87	289.64	1.37	-47.50
CCCC(NC(=O)C=CC1=CNN=C1)C1=N[N-]N=N1	REAL250004606285	1	33	-1.0	-48.89	289.58	1.36	-47.53
CCCC(NC(=O)C1=CC(=O)NN=C1)C1=N[N-]N=N1	REAL250004606286	0	31	-1.0	-45.53	274.23	-0.85	-46.38
CCCC(NC(=O)C1=CC(=O)NN=C1)C1=NN=N[N-]1	REAL250004606286	1	31	-1.0	-45.53	274.29	-0.83	-46.36
CCCC(NC(=O)C1CC(C)=NO1)C1=N[N-]N=N1	REAL250004606287	0	33	-1.0	-54.67	284.28	1.95	-52.72
CCCC(NC(=O)C1CC(C)=NO1)C1=NN=N[N-]1	REAL250004606287	1	33	-1.0	-54.68	284.34	1.97	-52.71
CCCC(NC(=O)[C@@H]1CNC(=O)O1)C1=N[N-]N=N1	REAL250004606288	0	31	-1.0	-53.79	271.32	-1.62	-55.41
CCCC(NC(=O)[C@@H]1CNC(=O)O1)C1=NN=N[N-]1	REAL250004606288	1	31	-1.0	-53.81	271.38	-1.61	-55.42
CCCC(NC(=O)CCC[Si](C)(C)C)C1=N[N-]N=N1	REAL250004606289	0	43	-1.0	-46.71	353.87	6.70	-40.01
CCCC(NC(=O)CCC[Si](C)(C)C)C1=NN=N[N-]1	REAL250004606289	1	43	-1.0	-46.75	353.93	6.72	-40.03
CCCC(NC(=O)C1CCC2=NC=CN2C1)C1=N[N-]N=N1	REAL250004606290	0	39	-1.0	-45.09	318.98	3.75	-41.34
CCCC(NC(=O)C1CCC2=NC=CN2C1)C1=NN=N[N-]1	REAL250004606290	1	39	-1.0	-45.10	319.04	3.76	-41.34
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=N[N-]N=N1	REAL250004606291	0	39	-1.0	-48.28	330.00	4.84	-43.44
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=NN=N[N-]1	REAL250004606291	1	39	-1.0	-48.26	330.05	4.86	-43.40
CCCC(NC(=O)C1=NN=C(C)S1)C1=N[N-]N=N1	REAL250004606292	0	30	-1.0	-44.51	279.44	0.37	-44.14
CCCC(NC(=O)C1=NN=C(C)S1)C1=NN=N[N-]1	REAL250004606292	1	30	-1.0	-44.48	279.50	0.39	-44.09
CCCC(NC(=O)CSC1CC1)C1=N[N-]N=N1	REAL250004606293	0	33	-1.0	-46.52	294.02	3.45	-43.07
CCCC(NC(=O)CSC1CC1)C1=NN=N[N-]1	REAL250004606293	1	33	-1.0	-46.54	294.08	3.48	-43.06
CCCC(NC(=O)CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004606294	0	38	-1.0	-51.61	319.19	2.49	-49.12
CCCC(NC(=O)CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004606294	1	38	-1.0	-51.61	319.25	2.51	-49.10
CCCC(NC(=O)C1=C2OCCCN2N=C1)C1=NN=N[N-]1	REAL250004606295	0	37	-1.0	-53.50	311.03	0.81	-52.69
CCCC(NC(=O)C1=C2OCCCN2N=C1)C1=N[N-]N=N1	REAL250004606295	1	37	-1.0	-53.49	310.97	0.80	-52.69
CCCC(NC(=O)C1=NC=C(C#N)C=C1C)C1=NN=N[N-]1	REAL250004606296	0	35	-1.0	-43.61	308.43	2.99	-40.62
CCCC(NC(=O)C1=NC=C(C#N)C=C1C)C1=N[N-]N=N1	REAL250004606296	1	35	-1.0	-43.58	308.37	2.98	-40.60
CCCC(NC(=O)CN1C=CC(C)=N1)C1=N[N-]N=N1	REAL250004606297	0	35	-1.0	-55.90	301.05	2.31	-53.59
CCCC(NC(=O)CN1C=CC(C)=N1)C1=NN=N[N-]1	REAL250004606297	1	35	-1.0	-55.85	301.10	2.33	-53.52
CCCC(NC(=O)C1CCCC(OC)C1)C1=N[N-]N=N1	REAL250004606298	0	42	-1.0	-46.27	330.47	3.01	-43.26
CCCC(NC(=O)C1CCCC(OC)C1)C1=NN=N[N-]1	REAL250004606298	1	42	-1.0	-46.24	330.52	3.03	-43.21
CCCC(NC(=O)CCNC(=O)NC)C1=N[N-]N=N1	REAL250004606299	0	37	-1.0	-55.32	314.57	-1.73	-57.05
CCCC(NC(=O)CCNC(=O)NC)C1=NN=N[N-]1	REAL250004606299	1	37	-1.0	-55.30	314.63	-1.71	-57.01
CCCC(NC(=O)C1=NN(CC)N=C1)C1=NN=N[N-]1	REAL250004606300	0	34	-1.0	-44.81	296.74	0.62	-44.19
CCCC(NC(=O)C1=NN(CC)N=C1)C1=N[N-]N=N1	REAL250004606300	1	34	-1.0	-44.82	296.68	0.60	-44.22
CCCC(NC(=O)C1=CC(OCC)=NN1)C1=N[N-]N=N1	REAL250004606301	0	36	-1.0	-43.10	311.53	-1.16	-44.26
CCCC(NC(=O)C1=CC(OCC)=NN1)C1=NN=N[N-]1	REAL250004606301	1	36	-1.0	-43.09	311.59	-1.15	-44.24
CCCC(NC(=O)C1CCC2=CN=CN2C1)C1=N[N-]N=N1	REAL250004606302	0	39	-1.0	-46.06	318.82	4.47	-41.59
CCCC(NC(=O)C1CCC2=CN=CN2C1)C1=NN=N[N-]1	REAL250004606302	1	39	-1.0	-46.09	318.87	4.48	-41.61
CCCC(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004606303	0	39	-1.0	-45.47	321.25	5.35	-40.12
CCCC(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004606303	1	39	-1.0	-45.43	321.31	5.36	-40.07
CCCC(NC(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL250004606304	0	34	-1.0	-58.48	298.18	2.63	-55.85
CCCC(NC(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL250004606304	1	34	-1.0	-58.46	298.12	2.62	-55.84
CCCC(NC(=O)C1=NN(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004606305	0	40	-1.0	-53.20	334.71	3.91	-49.29
CCCC(NC(=O)C1=NN(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004606305	1	40	-1.0	-53.17	334.65	3.89	-49.28
CCCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=NO1	REAL250004606306	0	37	-1.0	-44.33	317.92	3.27	-41.06
CCCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=NO1	REAL250004606306	1	37	-1.0	-44.38	317.98	3.29	-41.09
CCCC(NC(=O)C1=CC=C(Cl)N=C1N)C1=NN=N[N-]1	REAL250004606307	0	33	-1.0	-42.60	296.59	1.42	-41.18
CCCC(NC(=O)C1=CC=C(Cl)N=C1N)C1=N[N-]N=N1	REAL250004606307	1	33	-1.0	-42.62	296.53	1.40	-41.22
CCCC(NC(=O)C#CC1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL250004606308	0	40	-1.0	-46.00	348.96	6.43	-39.57
CCCC(NC(=O)C#CC1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL250004606308	1	40	-1.0	-46.04	349.02	6.45	-39.59
CCCC(NC(=O)CCC1=NOC=C1)C1=N[N-]N=N1	REAL250004606309	0	34	-1.0	-48.28	295.29	2.39	-45.89
CCCC(NC(=O)CCC1=NOC=C1)C1=NN=N[N-]1	REAL250004606309	1	34	-1.0	-48.28	295.34	2.40	-45.88
CCCC(NC(=O)C(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004606310	0	34	-1.0	-51.62	286.01	2.76	-48.86
CCCC(NC(=O)C(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004606310	1	34	-1.0	-51.63	286.07	2.77	-48.86
CCCC(NC(=O)C1=CN=NN1CC)C1=NN=N[N-]1	REAL250004606311	0	34	-1.0	-42.48	291.32	0.85	-41.63
CCCC(NC(=O)C1=CN=NN1CC)C1=N[N-]N=N1	REAL250004606311	1	34	-1.0	-42.46	291.27	0.83	-41.63
CCCC(NC(=O)C1=C(C)N=C(C)N1)C1=N[N-]N=N1	REAL250004606312	0	35	-1.0	-46.95	296.21	1.61	-45.34
CCCC(NC(=O)C1=C(C)N=C(C)N1)C1=NN=N[N-]1	REAL250004606312	1	35	-1.0	-46.95	296.27	1.63	-45.32
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004606313	0	38	-1.0	-55.77	322.65	4.97	-50.80
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004606313	1	38	-1.0	-55.71	322.59	4.95	-50.76
CCCC(NC(=O)C1=NN(CC)N=C1C)C1=N[N-]N=N1	REAL250004606314	0	37	-1.0	-44.91	315.27	1.18	-43.73
CCCC(NC(=O)C1=NN(CC)N=C1C)C1=NN=N[N-]1	REAL250004606314	1	37	-1.0	-44.92	315.33	1.20	-43.72
CCCC(NC(=O)C1=CC(C=O)=CN1)C1=N[N-]N=N1	REAL250004606315	0	32	-1.0	-46.99	285.59	1.18	-45.81
CCCC(NC(=O)C1=CC(C=O)=CN1)C1=NN=N[N-]1	REAL250004606315	1	32	-1.0	-47.01	285.65	1.19	-45.82
CCCC(NC(=O)CC1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004606316	0	35	-1.0	-49.99	304.80	-0.34	-50.33
CCCC(NC(=O)CC1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004606316	1	35	-1.0	-50.01	304.86	-0.34	-50.35
CCCC(NC(=O)CCN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004606317	0	38	-1.0	-53.00	328.55	3.26	-49.74
CCCC(NC(=O)CCN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004606317	1	38	-1.0	-52.97	328.61	3.28	-49.69
CCCC(NC(=O)CCC1=CC=NC(C)=N1)C1=N[N-]N=N1	REAL250004606318	0	39	-1.0	-47.14	331.34	3.09	-44.05
CCCC(NC(=O)CCC1=CC=NC(C)=N1)C1=NN=N[N-]1	REAL250004606318	1	39	-1.0	-47.13	331.39	3.10	-44.03
CCCC(NC(=O)CCN1C=NC=CC1=O)C1=NN=N[N-]1	REAL250004606319	0	37	-1.0	-47.58	319.16	3.10	-44.48
CCCC(NC(=O)CCN1C=NC=CC1=O)C1=N[N-]N=N1	REAL250004606319	1	37	-1.0	-47.56	319.10	3.09	-44.47
CCCC(NC(=O)C1=CSC(C(C)=O)=C1)C1=N[N-]N=N1	REAL250004606320	0	34	-1.0	-54.06	307.57	3.11	-50.95
CCCC(NC(=O)C1=CSC(C(C)=O)=C1)C1=NN=N[N-]1	REAL250004606320	1	34	-1.0	-54.07	307.62	3.12	-50.95
CCCC(NC(=O)C1=NC=C(OC)C=N1)C1=NN=N[N-]1	REAL250004606321	0	34	-1.0	-49.98	296.91	0.41	-49.57
CCCC(NC(=O)C1=NC=C(OC)C=N1)C1=N[N-]N=N1	REAL250004606321	1	34	-1.0	-49.98	296.85	0.39	-49.59
CCCC(NC(=O)C1CC2CCC1CC2)C1=N[N-]N=N1	REAL250004606322	0	42	-1.0	-47.40	317.07	4.74	-42.66
CCCC(NC(=O)C1CC2CCC1CC2)C1=NN=N[N-]1	REAL250004606322	1	42	-1.0	-47.42	317.13	4.76	-42.66
CCCC(NC(=O)C1=NN(COC)C=C1)C1=NN=N[N-]1	REAL250004606323	0	36	-1.0	-47.91	312.28	0.09	-47.82
CCCC(NC(=O)C1=NN(COC)C=C1)C1=N[N-]N=N1	REAL250004606323	1	36	-1.0	-47.91	312.22	0.07	-47.84
CCCC(NC(=O)C1=C(C)N(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004606324	0	42	-1.0	-49.07	340.42	5.11	-43.96
CCCC(NC(=O)C1=C(C)N(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004606324	1	42	-1.0	-49.11	340.48	5.12	-43.99
CCCC(NC(=O)C1=CC(C)=CS1)C1=N[N-]N=N1	REAL250004606325	0	32	-1.0	-45.74	288.07	3.29	-42.45
CCCC(NC(=O)C1=CC(C)=CS1)C1=NN=N[N-]1	REAL250004606325	1	32	-1.0	-45.77	288.13	3.30	-42.47
CCCC(NC(=O)CC1=CNC2=CN=CC=C12)C1=N[N-]N=N1	REAL250004606326	0	38	-1.0	-48.57	325.56	2.59	-45.98
CCCC(NC(=O)CC1=CNC2=CN=CC=C12)C1=NN=N[N-]1	REAL250004606326	1	38	-1.0	-48.60	325.61	2.61	-45.99
CCCC(NC(=O)C(CCC)OC)C1=N[N-]N=N1	REAL250004606327	0	38	-1.0	-47.64	313.94	3.01	-44.63
CCCC(NC(=O)C(CCC)OC)C1=NN=N[N-]1	REAL250004606327	1	38	-1.0	-47.65	314.00	3.02	-44.63
CCCC(NC(=O)C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL250004606328	0	31	-1.0	-48.72	284.12	2.43	-46.29
CCCC(NC(=O)C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL250004606328	1	31	-1.0	-48.70	284.06	2.41	-46.29
CCCC(NC(=O)C1=NN2CCCNC2=N1)C1=NN=N[N-]1	REAL250004606329	0	37	-1.0	-53.47	312.25	2.60	-50.87
CCCC(NC(=O)C1=NN2CCCNC2=N1)C1=N[N-]N=N1	REAL250004606329	1	37	-1.0	-53.50	312.19	2.59	-50.91
CCCC(NC(=O)C1=C(C2CC2)OC=N1)C1=NN=N[N-]1	REAL250004606330	0	35	-1.0	-47.20	303.14	0.63	-46.57
CCCC(NC(=O)C1=C(C2CC2)OC=N1)C1=N[N-]N=N1	REAL250004606330	1	35	-1.0	-47.18	303.08	0.61	-46.57
CCCC(NC(=O)C1=C(F)C=CS1)C1=N[N-]N=N1	REAL250004606331	0	29	-1.0	-50.17	271.53	2.70	-47.47
CCCC(NC(=O)C1=C(F)C=CS1)C1=NN=N[N-]1	REAL250004606331	1	29	-1.0	-50.13	271.59	2.71	-47.42
CCCC(NC(=O)C(C)C(C)COC)C1=N[N-]N=N1	REAL250004606332	0	41	-1.0	-46.58	325.20	2.28	-44.30
CCCC(NC(=O)C(C)C(C)COC)C1=NN=N[N-]1	REAL250004606332	1	41	-1.0	-46.58	325.26	2.30	-44.28
CCCC(NC(=O)[C@@H]1C[C@H]1CCC)C1=N[N-]N=N1	REAL250004606333	0	38	-1.0	-45.64	313.70	4.30	-41.34
CCCC(NC(=O)[C@@H]1C[C@H]1CCC)C1=NN=N[N-]1	REAL250004606333	1	38	-1.0	-45.68	313.76	4.32	-41.36
CCCC(NC(=O)CCC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004606334	0	38	-1.0	-49.72	323.14	2.79	-46.93
CCCC(NC(=O)CCC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004606334	1	38	-1.0	-49.67	323.20	2.81	-46.86
CCCC(NC(=O)C1CCCCC1OC)C1=N[N-]N=N1	REAL250004606335	0	42	-1.0	-48.79	329.05	4.00	-44.79
CCCC(NC(=O)C1CCCCC1OC)C1=NN=N[N-]1	REAL250004606335	1	42	-1.0	-48.75	329.11	4.01	-44.74
CCCC(NC(=O)C1=C(C)OC(C)=N1)C1=N[N-]N=N1	REAL250004606336	0	34	-1.0	-45.70	294.87	-0.20	-45.90
CCCC(NC(=O)C1=C(C)OC(C)=N1)C1=NN=N[N-]1	REAL250004606336	1	34	-1.0	-45.65	294.93	-0.18	-45.83
CCCC(NC(=O)C1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004606337	0	32	-1.0	-44.89	293.23	4.20	-40.69
CCCC(NC(=O)C1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004606337	1	32	-1.0	-44.88	293.28	4.21	-40.67
CCCC(NC(=O)C1=CN(C(C)C)N=N1)C1=NN=N[N-]1	REAL250004606338	0	37	-1.0	-45.96	315.79	1.33	-44.63
CCCC(NC(=O)C1=CN(C(C)C)N=N1)C1=N[N-]N=N1	REAL250004606338	1	37	-1.0	-45.95	315.73	1.31	-44.64
CCCC(NC(=O)CCCC1CC1)C1=N[N-]N=N1	REAL250004606339	0	38	-1.0	-45.35	313.52	4.43	-40.92
CCCC(NC(=O)CCCC1CC1)C1=NN=N[N-]1	REAL250004606339	1	38	-1.0	-45.33	313.58	4.44	-40.89
CCCC(NC(=O)CCC1=NC=CC=N1)C1=N[N-]N=N1	REAL250004606340	0	36	-1.0	-49.05	310.29	2.30	-46.75
CCCC(NC(=O)CCC1=NC=CC=N1)C1=NN=N[N-]1	REAL250004606340	1	36	-1.0	-49.09	310.35	2.31	-46.78
CCCC(NC(=O)C1=CC2=CN=CC=C2O1)C1=NN=N[N-]1	REAL250004606341	0	34	-1.0	-44.01	300.39	2.29	-41.72
CCCC(NC(=O)C1=CC2=CN=CC=C2O1)C1=N[N-]N=N1	REAL250004606341	1	34	-1.0	-43.99	300.33	2.28	-41.71
CCCC(NC(=O)CCC1=CN=CS1)C1=NN=N[N-]1	REAL250004606342	0	34	-1.0	-44.89	305.13	2.34	-42.55
CCCC(NC(=O)CCC1=CN=CS1)C1=N[N-]N=N1	REAL250004606342	1	34	-1.0	-44.90	305.08	2.33	-42.57
CCCC(NC(=O)CC(C)(C)C1CC1)C1=N[N-]N=N1	REAL250004606343	0	41	-1.0	-43.63	315.80	4.46	-39.17
CCCC(NC(=O)CC(C)(C)C1CC1)C1=NN=N[N-]1	REAL250004606343	1	41	-1.0	-43.66	315.86	4.47	-39.19
CCCC(NC(=O)C1CCCC2=NNN=C21)C1=N[N-]N=N1	REAL250004606344	0	38	-1.0	-45.14	311.23	1.14	-44.00
CCCC(NC(=O)C1CCCC2=NNN=C21)C1=NN=N[N-]1	REAL250004606344	1	38	-1.0	-45.12	311.29	1.15	-43.97
CCCC(NC(=O)C1CCCC2=C1NN=N2)C1=N[N-]N=N1	REAL250004606344	1	38	-1.0	-43.35	306.82	1.35	-42.00
CCCC(NC(=O)C1CCCC2=C1NN=N2)C1=NN=N[N-]1	REAL250004606344	1	38	-1.0	-43.36	306.88	1.37	-41.99
CCCC(NC(=O)C1=C(C)N=C(CC)O1)C1=N[N-]N=N1	REAL250004606345	0	37	-1.0	-44.17	314.75	0.45	-43.72
CCCC(NC(=O)C1=C(C)N=C(CC)O1)C1=NN=N[N-]1	REAL250004606345	1	37	-1.0	-44.18	314.81	0.46	-43.72
CCCC(NC(=O)C1=NN(C)N=N1)C1=NN=N[N-]1	REAL250004606346	0	30	-1.0	-46.57	269.82	-0.65	-47.22
CCCC(NC(=O)C1=NN(C)N=N1)C1=N[N-]N=N1	REAL250004606346	1	30	-1.0	-46.54	269.76	-0.66	-47.20
CCCC(NC(=O)C1=NOC(CO)=C1)C1=N[N-]N=N1	REAL250004606347	0	32	-1.0	-47.00	286.35	-1.63	-48.63
CCCC(NC(=O)C1=NOC(CO)=C1)C1=NN=N[N-]1	REAL250004606347	1	32	-1.0	-47.01	286.41	-1.62	-48.63
CCCC(NC(=O)CC1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004606348	0	34	-1.0	-46.60	300.23	2.47	-44.13
CCCC(NC(=O)CC1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004606348	1	34	-1.0	-46.61	300.29	2.49	-44.12
CCCC(NC(=O)C1=CC(O)=CC=C1C)C1=N[N-]N=N1	REAL250004606349	0	36	-1.0	-45.95	301.38	1.44	-44.51
CCCC(NC(=O)C1=CC(O)=CC=C1C)C1=NN=N[N-]1	REAL250004606349	1	36	-1.0	-45.92	301.44	1.46	-44.46
CCCC(NC(=O)C1=CON=C1COC)C1=N[N-]N=N1	REAL250004606350	0	35	-1.0	-47.68	305.39	0.71	-46.97
CCCC(NC(=O)C1=CON=C1COC)C1=NN=N[N-]1	REAL250004606350	1	35	-1.0	-47.66	305.45	0.72	-46.94
CCCC(NC(=O)CC(C)CC(=O)OC)C1=N[N-]N=N1	REAL250004606351	0	40	-1.0	-52.23	328.48	3.34	-48.89
CCCC(NC(=O)CC(C)CC(=O)OC)C1=NN=N[N-]1	REAL250004606351	1	40	-1.0	-52.25	328.54	3.36	-48.89
CCCC(NC(=O)C1=C(C2CC2)N=CO1)C1=N[N-]N=N1	REAL250004606352	0	35	-1.0	-46.14	302.85	0.60	-45.54
CCCC(NC(=O)C1=C(C2CC2)N=CO1)C1=NN=N[N-]1	REAL250004606352	1	35	-1.0	-46.14	302.91	0.61	-45.53
CCCC(NC(=O)C1(F)CCCCC1)C1=N[N-]N=N1	REAL250004606353	0	38	-1.0	-44.83	305.76	3.81	-41.02
CCCC(NC(=O)C1(F)CCCCC1)C1=NN=N[N-]1	REAL250004606353	1	38	-1.0	-44.84	305.82	3.83	-41.01
CCCC(NC(=O)C1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL250004606354	0	32	-1.0	-47.18	292.56	2.21	-44.97
CCCC(NC(=O)C1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL250004606354	1	32	-1.0	-47.16	292.50	2.19	-44.97
CCCC(NC(=O)CCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL250004606355	0	38	-1.0	-45.27	332.43	4.99	-40.28
CCCC(NC(=O)CCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL250004606355	1	38	-1.0	-45.30	332.49	5.00	-40.30
CCCC(NC(=O)C1=CC=C(C(C)=O)N1)C1=N[N-]N=N1	REAL250004606356	0	35	-1.0	-47.77	305.58	1.77	-46.00
CCCC(NC(=O)C1=CC=C(C(C)=O)N1)C1=NN=N[N-]1	REAL250004606356	1	35	-1.0	-47.80	305.64	1.78	-46.02
CCCC(NC(=O)CC1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004606357	0	39	-1.0	-55.24	316.68	0.95	-54.29
CCCC(NC(=O)CC1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004606357	1	39	-1.0	-55.27	316.74	0.97	-54.30
CCCC(NC(=O)C1CCCSC1)C1=N[N-]N=N1	REAL250004606358	0	36	-1.0	-43.72	299.83	3.60	-40.12
CCCC(NC(=O)C1CCCSC1)C1=NN=N[N-]1	REAL250004606358	1	36	-1.0	-43.73	299.88	3.61	-40.12
CCCC(NC(=O)C1=NN2CCOC2=C1)C1=NN=N[N-]1	REAL250004606359	0	34	-1.0	-49.13	294.75	-0.64	-49.77
CCCC(NC(=O)C1=NN2CCOC2=C1)C1=N[N-]N=N1	REAL250004606359	1	34	-1.0	-49.07	294.69	-0.65	-49.72
C#CC1=CC=CC=C1CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606360	0	37	-1.0	-47.60	324.08	5.37	-42.23
C#CC1=CC=CC=C1CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606360	1	37	-1.0	-47.61	324.14	5.38	-42.23
CCCC(NC(=O)C1=CC2=NON=C2C=C1)C1=NN=N[N-]1	REAL250004606361	0	33	-1.0	-44.36	289.56	2.48	-41.88
CCCC(NC(=O)C1=CC2=NON=C2C=C1)C1=N[N-]N=N1	REAL250004606361	1	33	-1.0	-44.37	289.50	2.47	-41.90
CCCC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004606362	0	34	-1.0	-53.15	294.58	-2.94	-56.09
CCCC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004606362	1	34	-1.0	-53.13	294.63	-2.92	-56.05
CCCC(NC(=O)C=CCN1CCOCC1)C1=N[N-]N=N1	REAL250004606363	0	42	-1.0	-46.25	342.08	0.46	-45.79
CCCC(NC(=O)C=CCN1CCOCC1)C1=NN=N[N-]1	REAL250004606363	1	42	-1.0	-46.19	342.13	0.48	-45.71
CCCC(NC(=O)C1CCC2=NN=CN2C1)C1=N[N-]N=N1	REAL250004606364	0	38	-1.0	-47.02	313.52	4.43	-42.59
CCCC(NC(=O)C1CCC2=NN=CN2C1)C1=NN=N[N-]1	REAL250004606364	1	38	-1.0	-47.03	313.58	4.44	-42.59
CCCC(NC(=O)C1CCCCCC(=O)C1)C1=N[N-]N=N1	REAL250004606365	0	43	-1.0	-48.80	327.71	3.97	-44.83
CCCC(NC(=O)C1CCCCCC(=O)C1)C1=NN=N[N-]1	REAL250004606365	1	43	-1.0	-48.79	327.76	3.99	-44.80
CCCC(NC(=O)C1=CC=C(C(C)C)C=N1)C1=NN=N[N-]1	REAL250004606366	0	40	-1.0	-46.38	331.96	3.79	-42.59
CCCC(NC(=O)C1=CC=C(C(C)C)C=N1)C1=N[N-]N=N1	REAL250004606366	1	40	-1.0	-46.41	331.91	3.77	-42.64
C=CC(=O)N(CC)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606367	0	39	-1.0	-57.12	324.69	2.79	-54.33
C=CC(=O)N(CC)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606367	1	39	-1.0	-57.13	324.74	2.81	-54.32
CCCC(NC(=O)CC1=CN=CC=C1Cl)C1=NN=N[N-]1	REAL250004606368	0	34	-1.0	-45.94	308.34	2.96	-42.98
CCCC(NC(=O)CC1=CN=CC=C1Cl)C1=N[N-]N=N1	REAL250004606368	1	34	-1.0	-45.93	308.28	2.94	-42.99
CCCC(NC(=O)CC(C)(C)C(=O)OCC)C1=N[N-]N=N1	REAL250004606369	0	43	-1.0	-42.30	347.64	4.13	-38.17
CCCC(NC(=O)CC(C)(C)C(=O)OCC)C1=NN=N[N-]1	REAL250004606369	1	43	-1.0	-42.32	347.69	4.15	-38.17
CCCC(NC(=O)C1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004606370	0	31	-1.0	-46.94	275.42	-0.06	-47.00
CCCC(NC(=O)C1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004606370	1	31	-1.0	-46.94	275.37	-0.08	-47.02
CCCC(NC(=O)C1=C(C)SN=C1C)C1=N[N-]N=N1	REAL250004606371	0	34	-1.0	-44.27	304.35	2.41	-41.86
CCCC(NC(=O)C1=C(C)SN=C1C)C1=NN=N[N-]1	REAL250004606371	1	34	-1.0	-44.27	304.41	2.43	-41.84
CCCC(NC(=O)C1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL250004606372	0	35	-1.0	-46.17	307.50	2.39	-43.78
CCCC(NC(=O)C1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL250004606372	1	35	-1.0	-46.17	307.44	2.37	-43.80
CCCC(NC(=O)C1=CC=C(O)C(CC)=C1)C1=N[N-]N=N1	REAL250004606373	0	39	-1.0	-47.86	326.84	2.28	-45.58
CCCC(NC(=O)C1=CC=C(O)C(CC)=C1)C1=NN=N[N-]1	REAL250004606373	1	39	-1.0	-47.85	326.90	2.30	-45.55
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1)C1=N[N-]N=N1	REAL250004606374	0	36	-1.0	-44.39	318.39	1.96	-42.43
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1)C1=NN=N[N-]1	REAL250004606374	1	36	-1.0	-44.42	318.45	1.98	-42.44
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=N[N-]N=N2)O1	REAL250004606375	0	40	-1.0	-43.61	336.25	1.22	-42.39
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=NN=N[N-]2)O1	REAL250004606375	1	40	-1.0	-43.61	336.31	1.23	-42.38
CCCC(NC(=O)C1(F)CCOC1)C1=N[N-]N=N1	REAL250004606377	0	33	-1.0	-42.53	279.10	0.62	-41.91
CCCC(NC(=O)C1(F)CCOC1)C1=NN=N[N-]1	REAL250004606377	1	33	-1.0	-42.54	279.16	0.63	-41.91
CCCC(NC(=O)C1(CCF)CC1)C1=N[N-]N=N1	REAL250004606378	0	35	-1.0	-44.12	298.58	3.43	-40.69
CCCC(NC(=O)C1(CCF)CC1)C1=NN=N[N-]1	REAL250004606378	1	35	-1.0	-44.10	298.64	3.44	-40.66
CCCC(NC(=O)C1=C(CC)N(C)C=C1)C1=N[N-]N=N1	REAL250004606379	0	39	-1.0	-50.67	321.00	4.40	-46.27
CCCC(NC(=O)C1=C(CC)N(C)C=C1)C1=NN=N[N-]1	REAL250004606379	1	39	-1.0	-50.67	321.06	4.41	-46.26
CCCC(NC(=O)CN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004606380	0	32	-1.0	-52.84	296.26	2.26	-50.58
CCCC(NC(=O)CN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004606380	1	32	-1.0	-52.82	296.21	2.25	-50.57
CCCC(NC(=O)CC1=NN=C(C)O1)C1=N[N-]N=N1	REAL250004606381	0	33	-1.0	-51.20	291.03	-2.78	-53.98
CCCC(NC(=O)CC1=NN=C(C)O1)C1=NN=N[N-]1	REAL250004606381	1	33	-1.0	-51.21	291.08	-2.77	-53.98
CCCC(NC(=O)CC1(C)CCCC1)C1=N[N-]N=N1	REAL250004606382	0	41	-1.0	-44.51	316.61	4.40	-40.11
CCCC(NC(=O)CC1(C)CCCC1)C1=NN=N[N-]1	REAL250004606382	1	41	-1.0	-44.47	316.67	4.42	-40.05
CCCC(NC(=O)COCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004606383	0	38	-1.0	-50.98	328.27	2.93	-48.05
CCCC(NC(=O)COCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004606383	1	38	-1.0	-50.97	328.33	2.95	-48.02
CCCC(NC(=O)CCCCCC#N)C1=N[N-]N=N1	REAL250004606384	0	38	-1.0	-51.87	324.27	4.16	-47.71
CCCC(NC(=O)CCCCCC#N)C1=NN=N[N-]1	REAL250004606384	1	38	-1.0	-51.88	324.33	4.17	-47.71
CCCC(NC(=O)[C@H](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606385	0	41	-1.0	-45.43	335.74	5.58	-39.85
CCCC(NC(=O)[C@H](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606385	1	41	-1.0	-45.42	335.80	5.59	-39.83
CCCC(NC(=O)CC1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004606386	0	35	-1.0	-44.14	304.27	3.63	-40.51
CCCC(NC(=O)CC1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004606386	1	35	-1.0	-44.15	304.32	3.65	-40.50
CCCC(NC(=O)C1CC(OCC)C1)C1=N[N-]N=N1	REAL250004606387	0	39	-1.0	-44.40	320.52	2.52	-41.88
CCCC(NC(=O)C1CC(OCC)C1)C1=NN=N[N-]1	REAL250004606387	1	39	-1.0	-44.45	320.57	2.53	-41.92
CCCC(NC(=O)COCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004606388	0	38	-1.0	-52.22	328.29	2.92	-49.30
CCCC(NC(=O)COCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004606388	1	38	-1.0	-52.23	328.23	2.90	-49.33
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004606389	0	39	-1.0	-47.56	331.33	3.47	-44.09
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004606389	1	39	-1.0	-47.54	331.28	3.46	-44.08
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004606390	0	38	-1.0	-46.62	321.71	3.85	-42.77
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004606390	1	38	-1.0	-46.71	321.77	3.87	-42.84
CCCC(NC(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004606391	0	36	-1.0	-53.07	312.73	3.14	-49.93
CCCC(NC(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004606391	1	36	-1.0	-53.09	312.67	3.12	-49.97
CCCC(NC(=O)C1=C(C)NC(=O)N1)C1=N[N-]N=N1	REAL250004606392	0	33	-1.0	-44.28	283.97	-1.05	-45.33
CCCC(NC(=O)C1=C(C)NC(=O)N1)C1=NN=N[N-]1	REAL250004606392	1	33	-1.0	-44.29	284.03	-1.04	-45.33
CCCC(NC(=O)CC1=NN=C(C)N1)C1=N[N-]N=N1	REAL250004606393	0	34	-1.0	-60.78	294.13	1.55	-59.23
CCCC(NC(=O)CC1=NN=C(C)N1)C1=NN=N[N-]1	REAL250004606393	1	34	-1.0	-60.80	294.19	1.57	-59.23
CCCC(NC(=O)C1CCNC1=O)C1=N[N-]N=N1	REAL250004606394	0	33	-1.0	-52.22	277.83	-0.94	-53.16
CCCC(NC(=O)C1CCNC1=O)C1=NN=N[N-]1	REAL250004606394	1	33	-1.0	-52.17	277.88	-0.93	-53.10
CCCC(NC(=O)C1=CC(C(F)F)=NN1)C1=N[N-]N=N1	REAL250004606395	0	32	-1.0	-44.60	290.75	0.94	-43.66
CCCC(NC(=O)C1=CC(C(F)F)=NN1)C1=NN=N[N-]1	REAL250004606395	1	32	-1.0	-44.60	290.81	0.95	-43.65
CCCC(NC(=O)CN(C)C1CCC1)C1=NN=N[N-]1	REAL250004606396	1	40	-1.0	-44.88	319.32	1.85	-43.03
CCCC(NC(=O)C=CC1=NC=CN1)C1=N[N-]N=N1	REAL250004606397	0	33	-1.0	-47.91	291.24	1.75	-46.16
CCCC(NC(=O)C=CC1=NC=CN1)C1=NN=N[N-]1	REAL250004606397	1	33	-1.0	-47.93	291.30	1.77	-46.16
CCCC(NC(=O)C(C)CC1=CNC=N1)C1=N[N-]N=N1	REAL250004606398	0	38	-1.0	-50.35	313.86	3.72	-46.63
CCCC(NC(=O)C(C)CC1=CNC=N1)C1=NN=N[N-]1	REAL250004606398	1	38	-1.0	-50.34	313.92	3.73	-46.61
CCCC(NC(=O)C(C)CC1=CN=CN1)C1=N[N-]N=N1	REAL250004606398	1	38	-1.0	-47.37	315.11	3.01	-44.36
CCCC(NC(=O)CC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004606399	0	39	-1.0	-49.07	315.76	0.58	-48.49
CCCC(NC(=O)CC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004606399	1	39	-1.0	-49.08	315.82	0.59	-48.49
CCCC(NC(=O)COCC1CCCC1)C1=N[N-]N=N1	REAL250004606400	0	42	-1.0	-48.27	338.85	4.38	-43.89
CCCC(NC(=O)COCC1CCCC1)C1=NN=N[N-]1	REAL250004606400	1	42	-1.0	-48.29	338.91	4.39	-43.90
CCCC(NC(=O)CC1CC2CCC1O2)C1=N[N-]N=N1	REAL250004606401	0	40	-1.0	-43.94	316.67	2.52	-41.42
CCCC(NC(=O)CC1CC2CCC1O2)C1=NN=N[N-]1	REAL250004606401	1	40	-1.0	-44.02	316.73	2.54	-41.48
CCCC(NC(=O)C1CCN2C=CN=C2C1)C1=N[N-]N=N1	REAL250004606402	0	39	-1.0	-49.35	319.11	3.76	-45.59
CCCC(NC(=O)C1CCN2C=CN=C2C1)C1=NN=N[N-]1	REAL250004606402	1	39	-1.0	-49.40	319.17	3.78	-45.62
CCCC(NC(=O)C1=CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004606403	0	42	-1.0	-45.61	326.24	4.80	-40.81
CCCC(NC(=O)C1=CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004606403	1	42	-1.0	-45.64	326.29	4.81	-40.83
CCCC(NC(=O)C1=CCC(C)CC1)C1=N[N-]N=N1	REAL250004606404	0	39	-1.0	-45.81	311.11	4.46	-41.35
CCCC(NC(=O)C1=CCC(C)CC1)C1=NN=N[N-]1	REAL250004606404	1	39	-1.0	-45.80	311.17	4.47	-41.33
CCCC(NC(=O)C(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004606405	0	43	-1.0	-51.64	345.17	4.91	-46.73
CCCC(NC(=O)C(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004606405	1	43	-1.0	-51.66	345.22	4.92	-46.74
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=N[N-]N=N1	REAL250004606406	0	37	-1.0	-51.39	296.97	1.76	-49.63
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=NN=N[N-]1	REAL250004606406	1	37	-1.0	-51.41	297.03	1.77	-49.64
CCCC(NC(=O)C(C)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004606407	0	41	-1.0	-48.91	339.13	3.32	-45.59
CCCC(NC(=O)C(C)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004606407	1	41	-1.0	-48.96	339.07	3.31	-45.65
CCCC(NC(=O)CCCCC(C)C)C1=N[N-]N=N1	REAL250004606408	0	43	-1.0	-45.12	342.47	4.93	-40.19
CCCC(NC(=O)CCCCC(C)C)C1=NN=N[N-]1	REAL250004606408	1	43	-1.0	-45.15	342.53	4.94	-40.21
CCCC(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=N[N-]N=N1	REAL250004606409	0	38	-1.0	-57.81	303.94	4.67	-53.14
CCCC(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=NN=N[N-]1	REAL250004606409	1	38	-1.0	-57.84	304.00	4.69	-53.15
CCCC(NC(=O)CC1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004606410	0	39	-1.0	-45.03	319.43	1.90	-43.13
CCCC(NC(=O)CC1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004606410	1	39	-1.0	-45.04	319.49	1.91	-43.13
CCCC(NC(=O)CC1CC(=O)N1)C1=N[N-]N=N1	REAL250004606411	0	33	-1.0	-50.46	284.26	-1.37	-51.83
CCCC(NC(=O)CC1CC(=O)N1)C1=NN=N[N-]1	REAL250004606411	1	33	-1.0	-50.50	284.32	-1.35	-51.85
CCCC(NC(=O)C1CCOC(=O)N1)C1=N[N-]N=N1	REAL250004606412	0	34	-1.0	-51.04	289.57	-0.96	-52.00
CCCC(NC(=O)C1CCOC(=O)N1)C1=NN=N[N-]1	REAL250004606412	1	34	-1.0	-51.01	289.63	-0.94	-51.95
CCCC(NC(=O)C(C)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004606413	0	39	-1.0	-54.25	315.42	0.61	-53.64
CCCC(NC(=O)C(C)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004606413	1	39	-1.0	-54.21	315.48	0.63	-53.58
CCCC(NC(=O)C1=CSC(CO)=N1)C1=N[N-]N=N1	REAL250004606414	0	32	-1.0	-48.70	294.89	-2.02	-50.72
CCCC(NC(=O)C1=CSC(CO)=N1)C1=NN=N[N-]1	REAL250004606414	1	32	-1.0	-48.70	294.95	-2.01	-50.71
CCCC(NC(=O)CCC1=CNN=C1)C1=NN=N[N-]1	REAL250004606415	0	35	-1.0	-47.84	300.23	1.59	-46.25
CCCC(NC(=O)CCC1=CNN=C1)C1=N[N-]N=N1	REAL250004606415	1	35	-1.0	-47.78	300.17	1.57	-46.21
CCCC(NC(=O)C1=NN=C(CC)S1)C1=N[N-]N=N1	REAL250004606416	0	33	-1.0	-43.83	300.92	1.12	-42.71
CCCC(NC(=O)C1=NN=C(CC)S1)C1=NN=N[N-]1	REAL250004606416	1	33	-1.0	-43.84	300.98	1.13	-42.71
CCCC(NC(=O)C(C)C1CCC1)C1=N[N-]N=N1	REAL250004606417	0	38	-1.0	-45.66	304.77	3.98	-41.68
CCCC(NC(=O)C(C)C1CCC1)C1=NN=N[N-]1	REAL250004606417	1	38	-1.0	-45.69	304.83	4.00	-41.69
CCCC(NC(=O)C1=CC(C)=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004606418	0	35	-1.0	-43.43	311.74	2.82	-40.61
CCCC(NC(=O)C1=CC(C)=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004606418	1	35	-1.0	-43.43	311.79	2.83	-40.60
CCCC(NC(=O)C(CC)CC(F)F)C1=N[N-]N=N1	REAL250004606419	0	37	-1.0	-47.14	304.61	3.35	-43.79
CCCC(NC(=O)C(CC)CC(F)F)C1=NN=N[N-]1	REAL250004606419	1	37	-1.0	-47.08	304.67	3.36	-43.72
CCCC(NC(=O)COC(C)(C)CC)C1=N[N-]N=N1	REAL250004606420	0	41	-1.0	-48.35	324.60	3.41	-44.94
CCCC(NC(=O)COC(C)(C)CC)C1=NN=N[N-]1	REAL250004606420	1	41	-1.0	-48.35	324.66	3.43	-44.92
CCCC(NC(=O)C1CC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004606421	0	44	-1.0	-45.48	338.92	4.82	-40.66
CCCC(NC(=O)C1CC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004606421	1	44	-1.0	-45.46	338.98	4.83	-40.63
CCCC(NC(=O)CCCS(N)(=O)=O)C1=N[N-]N=N1	REAL250004606422	0	36	-1.0	-58.69	317.13	-2.91	-61.60
CCCC(NC(=O)CCCS(N)(=O)=O)C1=NN=N[N-]1	REAL250004606422	1	36	-1.0	-58.70	317.19	-2.89	-61.59
CCCC(NC(=O)C1=CN=C2C=CC=NN12)C1=NN=N[N-]1	REAL250004606423	0	34	-1.0	-54.28	297.23	2.56	-51.72
CCCC(NC(=O)C1=CN=C2C=CC=NN12)C1=N[N-]N=N1	REAL250004606423	1	34	-1.0	-54.28	297.17	2.55	-51.73
CCCC(NC(=O)CC1=NON=C1C)C1=N[N-]N=N1	REAL250004606424	0	33	-1.0	-54.31	291.14	0.82	-53.49
CCCC(NC(=O)CC1=NON=C1C)C1=NN=N[N-]1	REAL250004606424	1	33	-1.0	-54.35	291.20	0.84	-53.51
CCCC(NC(=O)C1=NN(C)C=C1C)C1=NN=N[N-]1	REAL250004606425	0	35	-1.0	-50.61	298.43	2.11	-48.50
CCCC(NC(=O)C1=NN(C)C=C1C)C1=N[N-]N=N1	REAL250004606425	1	35	-1.0	-50.63	298.37	2.10	-48.53
CCCC(NC(=O)CC(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004606426	0	41	-1.0	-47.60	339.32	3.42	-44.18
CCCC(NC(=O)CC(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004606426	1	41	-1.0	-47.55	339.26	3.41	-44.14
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606427	0	39	-1.0	-47.36	326.84	5.64	-41.72
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606427	1	39	-1.0	-47.33	326.89	5.66	-41.67
CCCC(NC(=O)C1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004606428	0	31	-1.0	-43.13	286.10	2.36	-40.77
CCCC(NC(=O)C1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004606428	1	31	-1.0	-43.12	286.05	2.34	-40.78
CCCC(NC(=O)CS(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL250004606429	0	35	-1.0	-60.05	311.11	0.07	-59.98
CCCC(NC(=O)CS(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL250004606429	1	35	-1.0	-60.01	311.17	0.08	-59.93
CCCC(NC(=O)C(O)C1CCC1)C1=N[N-]N=N1	REAL250004606430	0	36	-1.0	-45.00	293.25	1.55	-43.45
CCCC(NC(=O)C(O)C1CCC1)C1=NN=N[N-]1	REAL250004606430	1	36	-1.0	-44.98	293.30	1.56	-43.42
CCCC(NC(=O)C1=CC(CC(C)C)=CN1)C1=N[N-]N=N1	REAL250004606431	0	42	-1.0	-48.29	343.58	4.05	-44.24
CCCC(NC(=O)C1=CC(CC(C)C)=CN1)C1=NN=N[N-]1	REAL250004606431	1	42	-1.0	-48.29	343.63	4.06	-44.23
CCCC(NC(=O)C(CC)CC(C)C)C1=N[N-]N=N1	REAL250004606432	0	43	-1.0	-45.56	331.02	4.35	-41.21
CCCC(NC(=O)C(CC)CC(C)C)C1=NN=N[N-]1	REAL250004606432	1	43	-1.0	-45.56	331.08	4.37	-41.19
CCCC(NC(=O)C1=CC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004606433	0	35	-1.0	-65.57	304.30	2.92	-62.65
CCCC(NC(=O)C1=CC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004606433	1	35	-1.0	-65.55	304.24	2.91	-62.64
CCCC(NC(=O)C1=CN=C(C(C)=O)S1)C1=N[N-]N=N1	REAL250004606434	0	33	-1.0	-43.01	306.29	1.47	-41.54
CCCC(NC(=O)C1=CN=C(C(C)=O)S1)C1=NN=N[N-]1	REAL250004606434	1	33	-1.0	-43.01	306.35	1.49	-41.52
CCCC(NC(=O)C1=NN2CCCCC2=C1)C1=N[N-]N=N1	REAL250004606435	0	39	-1.0	-50.26	321.72	3.04	-47.22
CCCC(NC(=O)C1=NN2CCCCC2=C1)C1=NN=N[N-]1	REAL250004606435	1	39	-1.0	-50.23	321.78	3.06	-47.17
CCCC(NC(=O)C1=C(C)C=NN1C)C1=NN=N[N-]1	REAL250004606436	0	35	-1.0	-45.61	301.36	1.92	-43.69
CCCC(NC(=O)C1=C(C)C=NN1C)C1=N[N-]N=N1	REAL250004606436	1	35	-1.0	-45.60	301.31	1.90	-43.70
CCCC(NC(=O)CC(C)(C)COC)C1=N[N-]N=N1	REAL250004606437	0	41	-1.0	-45.66	323.70	2.41	-43.25
CCCC(NC(=O)CC(C)(C)COC)C1=NN=N[N-]1	REAL250004606437	1	41	-1.0	-45.67	323.76	2.44	-43.23
CCCCCCOC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606438	0	47	-1.0	-48.47	379.28	5.46	-43.01
CCCCCCOC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606438	1	47	-1.0	-48.45	379.34	5.48	-42.97
CCCC(NC(=O)C1CCC(F)CC1)C1=N[N-]N=N1	REAL250004606439	0	38	-1.0	-47.05	304.87	3.90	-43.15
CCCC(NC(=O)C1CCC(F)CC1)C1=NN=N[N-]1	REAL250004606439	1	38	-1.0	-47.05	304.90	3.90	-43.15
CCCC(NC(=O)C1=CC=CC(CC)=N1)C1=N[N-]N=N1	REAL250004606440	0	37	-1.0	-47.61	313.78	3.30	-44.31
CCCC(NC(=O)C1=CC=CC(CC)=N1)C1=NN=N[N-]1	REAL250004606440	1	37	-1.0	-47.60	313.84	3.32	-44.28
CCCC(NC(=O)CC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004606441	0	35	-1.0	-46.71	300.06	3.54	-43.17
CCCC(NC(=O)CC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004606441	1	35	-1.0	-46.76	300.12	3.55	-43.21
CCCC(NC(=O)C1=CC=C(C)C(C)=N1)C1=N[N-]N=N1	REAL250004606442	0	37	-1.0	-48.05	310.16	3.05	-45.00
CCCC(NC(=O)C1=CC=C(C)C(C)=N1)C1=NN=N[N-]1	REAL250004606442	1	37	-1.0	-48.11	310.22	3.06	-45.05
CCCC(NC(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004606443	0	36	-1.0	-47.06	312.70	2.30	-44.76
CCCC(NC(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004606443	1	36	-1.0	-47.05	312.64	2.28	-44.77
CCCC(NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606444	0	42	-1.0	-46.34	339.03	6.07	-40.27
CCCC(NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606444	1	42	-1.0	-46.38	339.09	6.08	-40.30
CCCC(NC(=O)CCC1=C(C)N=CS1)C1=N[N-]N=N1	REAL250004606445	0	37	-1.0	-44.94	324.29	2.84	-42.10
CCCC(NC(=O)CCC1=C(C)N=CS1)C1=NN=N[N-]1	REAL250004606445	1	37	-1.0	-45.00	324.34	2.86	-42.14
CCCC(NC(=O)C1CC(=O)N(CCC)C1)C1=N[N-]N=N1	REAL250004606446	0	42	-1.0	-44.50	344.83	2.95	-41.55
CCCC(NC(=O)C1CC(=O)N(CCC)C1)C1=NN=N[N-]1	REAL250004606446	1	42	-1.0	-44.50	344.89	2.97	-41.53
CCCC(NC(=O)C(C)OC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606447	0	38	-1.0	-50.26	325.04	2.51	-47.75
CCCC(NC(=O)C(C)OC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606447	1	38	-1.0	-50.29	324.98	2.49	-47.80
CCCC(NC(=O)C1=C(OC)N(C)N=C1)C1=NN=N[N-]1	REAL250004606448	0	36	-1.0	-49.68	311.63	0.65	-49.03
CCCC(NC(=O)C1=C(OC)N(C)N=C1)C1=N[N-]N=N1	REAL250004606448	1	36	-1.0	-49.68	311.57	0.63	-49.05
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C1=N[N-]N=N1	REAL250004606449	0	41	-1.0	-51.55	337.14	3.83	-47.72
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C1=NN=N[N-]1	REAL250004606449	1	41	-1.0	-51.55	337.19	3.85	-47.70
CCCC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004606450	0	31	-1.0	-41.95	278.39	2.44	-39.51
CCCC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004606450	1	31	-1.0	-42.00	278.44	2.45	-39.55
CCCC(NC(=O)C1=CN=C(Cl)C=C1C)C1=N[N-]N=N1	REAL250004606451	0	34	-1.0	-42.13	302.44	2.95	-39.18
CCCC(NC(=O)C1=CN=C(Cl)C=C1C)C1=NN=N[N-]1	REAL250004606451	1	34	-1.0	-42.14	302.50	2.97	-39.17
CCCC(NC(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004606452	0	42	-1.0	-46.60	348.14	6.39	-40.21
CCCC(NC(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004606452	1	42	-1.0	-46.65	348.19	6.40	-40.25
CCCC(NC(=O)C1=CC=C(C)N=N1)C1=N[N-]N=N1	REAL250004606453	0	33	-1.0	-46.77	288.21	1.37	-45.40
CCCC(NC(=O)C1=CC=C(C)N=N1)C1=NN=N[N-]1	REAL250004606453	1	33	-1.0	-46.84	288.27	1.39	-45.45
CCCC1=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=CN1	REAL250004606454	0	39	-1.0	-49.58	322.61	3.56	-46.02
CCCC1=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=CN1	REAL250004606454	1	39	-1.0	-49.57	322.67	3.57	-46.00
CCCC(NC(=O)C(CC(C)C)OC)C1=N[N-]N=N1	REAL250004606455	0	41	-1.0	-47.39	331.14	3.52	-43.87
CCCC(NC(=O)C(CC(C)C)OC)C1=NN=N[N-]1	REAL250004606455	1	41	-1.0	-47.39	331.20	3.54	-43.85
CCCC(NC(=O)C1=CN(CCOC)N=N1)C1=NN=N[N-]1	REAL250004606456	0	38	-1.0	-45.53	330.67	-0.13	-45.66
CCCC(NC(=O)C1=CN(CCOC)N=N1)C1=N[N-]N=N1	REAL250004606456	1	38	-1.0	-45.50	330.61	-0.15	-45.65
CCCC(NC(=O)C1SCCCS1)C1=N[N-]N=N1	REAL250004606457	0	34	-1.0	-48.76	299.79	3.61	-45.15
CCCC(NC(=O)C1SCCCS1)C1=NN=N[N-]1	REAL250004606457	1	34	-1.0	-48.74	299.84	3.62	-45.12
CCCC(NC(=O)C1CCC2CC2C1)C1=N[N-]N=N1	REAL250004606458	0	39	-1.0	-44.87	307.35	4.52	-40.35
CCCC(NC(=O)C1CCC2CC2C1)C1=NN=N[N-]1	REAL250004606458	1	39	-1.0	-44.86	307.41	4.54	-40.32
CCCC(NC(=O)C1=CC=CC(F)=C1C)C1=N[N-]N=N1	REAL250004606459	0	35	-1.0	-45.61	295.51	4.33	-41.28
CCCC(NC(=O)C1=CC=CC(F)=C1C)C1=NN=N[N-]1	REAL250004606459	1	35	-1.0	-45.56	295.56	4.34	-41.22
CCCC(NC(=O)C=CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004606460	0	36	-1.0	-48.79	309.25	3.96	-44.83
CCCC(NC(=O)C=CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004606460	1	36	-1.0	-48.79	309.31	3.97	-44.82
CCCC(NC(=O)C1=NN(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL250004606461	0	35	-1.0	-50.89	313.99	2.38	-48.51
CCCC(NC(=O)C1=NN(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL250004606461	1	35	-1.0	-50.92	314.05	2.40	-48.52
CCCC(NC(=O)C1CCC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004606462	0	39	-1.0	-45.85	316.68	1.86	-43.99
CCCC(NC(=O)C1CCC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004606462	1	39	-1.0	-45.86	316.74	1.88	-43.98
CCCC(NC(=O)C1CCC(=O)N(CC)C1)C1=N[N-]N=N1	REAL250004606463	0	42	-1.0	-46.10	337.88	2.82	-43.28
CCCC(NC(=O)C1CCC(=O)N(CC)C1)C1=NN=N[N-]1	REAL250004606463	1	42	-1.0	-46.12	337.94	2.84	-43.28
CCCC(NC(=O)CC(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004606464	0	38	-1.0	-43.47	315.92	2.74	-40.73
CCCC(NC(=O)CC(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004606464	1	38	-1.0	-43.47	315.86	2.73	-40.74
C=CC(=O)N(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606465	0	36	-1.0	-56.99	308.10	1.90	-55.09
C=CC(=O)N(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606465	1	36	-1.0	-56.98	308.16	1.91	-55.07
CCCC(NC(=O)CC1=NNC=N1)C1=N[N-]N=N1	REAL250004606466	0	31	-1.0	-52.93	273.53	1.15	-51.78
CCCC(NC(=O)CC1=NNC=N1)C1=NN=N[N-]1	REAL250004606466	1	31	-1.0	-52.93	273.59	1.17	-51.76
CCCC(NC(=O)CC1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004606467	0	35	-1.0	-52.89	305.71	-0.73	-53.62
CCCC(NC(=O)CC1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004606467	1	35	-1.0	-52.87	305.76	-0.72	-53.59
CCCC(NC(=O)C1=CC(OC)=NS1)C1=NN=N[N-]1	REAL250004606468	0	32	-1.0	-41.78	294.90	-0.52	-42.30
CCCC(NC(=O)C1=CC(OC)=NS1)C1=N[N-]N=N1	REAL250004606468	1	32	-1.0	-41.72	294.85	-0.53	-42.25
CCCC(NC(=O)C1=COC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL250004606469	0	38	-1.0	-51.19	324.41	4.62	-46.57
CCCC(NC(=O)C1=COC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL250004606469	1	38	-1.0	-51.18	324.46	4.63	-46.55
CCCC(NC(=O)C(F)=C1CCC1)C1=N[N-]N=N1	REAL250004606470	0	33	-1.0	-42.83	283.70	3.39	-39.44
CCCC(NC(=O)C(F)=C1CCC1)C1=NN=N[N-]1	REAL250004606470	1	33	-1.0	-42.80	283.76	3.40	-39.40
CCCC(NC(=O)C1=CN=C(NC)C=N1)C1=NN=N[N-]1	REAL250004606471	0	35	-1.0	-47.72	301.29	-0.31	-48.03
CCCC(NC(=O)C1=CN=C(NC)C=N1)C1=N[N-]N=N1	REAL250004606471	1	35	-1.0	-47.71	301.24	-0.32	-48.03
CCCC(NC(=O)C1CCCCC1C)C1=N[N-]N=N1	REAL250004606472	0	41	-1.0	-44.68	309.75	4.28	-40.40
CCCC(NC(=O)C1CCCCC1C)C1=NN=N[N-]1	REAL250004606472	1	41	-1.0	-44.67	309.81	4.29	-40.38
C=CCCN1C=C(C(=O)NC(CCC)C2=NN=N[N-]2)N=N1	REAL250004606473	0	38	-1.0	-46.02	331.31	2.12	-43.90
C=CCCN1C=C(C(=O)NC(CCC)C2=N[N-]N=N2)N=N1	REAL250004606473	1	38	-1.0	-46.04	331.25	2.11	-43.93
CCCC(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004606474	0	36	-1.0	-46.66	312.69	2.31	-44.35
CCCC(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004606474	1	36	-1.0	-46.65	312.63	2.30	-44.35
CCCC(NC(=O)CN1C=NC(N)=N1)C1=NN=N[N-]1	REAL250004606475	0	33	-1.0	-57.85	289.40	2.75	-55.10
CCCC(NC(=O)CN1C=NC(N)=N1)C1=N[N-]N=N1	REAL250004606475	1	33	-1.0	-57.82	289.34	2.73	-55.09
CCCC(NC(=O)C1CCCC(F)C1)C1=N[N-]N=N1	REAL250004606476	0	38	-1.0	-47.61	306.44	3.95	-43.66
CCCC(NC(=O)C1CCCC(F)C1)C1=NN=N[N-]1	REAL250004606476	1	38	-1.0	-47.63	306.50	3.97	-43.66
CCCC(NC(=O)C1CN(C)C(=O)N1)C1=N[N-]N=N1	REAL250004606477	0	35	-1.0	-51.44	297.18	-0.93	-52.37
CCCC(NC(=O)C1CN(C)C(=O)N1)C1=NN=N[N-]1	REAL250004606477	1	35	-1.0	-51.42	297.24	-0.91	-52.33
CCCC(NC(=O)C1CCC(C)=C(C)C1)C1=N[N-]N=N1	REAL250004606478	0	42	-1.0	-45.30	330.29	4.95	-40.35
CCCC(NC(=O)C1CCC(C)=C(C)C1)C1=NN=N[N-]1	REAL250004606478	1	42	-1.0	-45.33	330.35	4.96	-40.37
CCCC(NC(=O)C1=CN2CCCC2=N1)C1=N[N-]N=N1	REAL250004606479	0	36	-1.0	-52.15	303.80	3.22	-48.93
CCCC(NC(=O)C1=CN2CCCC2=N1)C1=NN=N[N-]1	REAL250004606479	1	36	-1.0	-52.18	303.86	3.24	-48.94
CCCC(NC(=O)C1CCN(OC)CC1)C1=N[N-]N=N1	REAL250004606480	0	41	-1.0	-46.84	323.64	1.01	-45.83
CCCC(NC(=O)C1CCN(OC)CC1)C1=NN=N[N-]1	REAL250004606480	1	41	-1.0	-46.85	323.69	1.03	-45.82
CCCC(NC(=O)C(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004606482	0	37	-1.0	-47.88	310.07	3.09	-44.79
CCCC(NC(=O)C(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004606482	1	37	-1.0	-47.85	310.13	3.11	-44.74
CCCC(NC(=O)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004606483	0	39	-1.0	-46.13	314.49	4.45	-41.68
CCCC(NC(=O)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004606483	1	39	-1.0	-46.12	314.55	4.46	-41.66
CCCC(NC(=O)C1=CC(OC)=CC=N1)C1=NN=N[N-]1	REAL250004606484	0	35	-1.0	-48.94	301.31	1.23	-47.71
CCCC(NC(=O)C1=CC(OC)=CC=N1)C1=N[N-]N=N1	REAL250004606484	1	35	-1.0	-48.92	301.25	1.22	-47.70
CCCC(NC(=O)C1=NN(CC)C=C1)C1=NN=N[N-]1	REAL250004606485	0	35	-1.0	-50.58	301.29	2.28	-48.30
CCCC(NC(=O)C1=NN(CC)C=C1)C1=N[N-]N=N1	REAL250004606485	1	35	-1.0	-50.59	301.23	2.26	-48.33
CCCC(NC(=O)C=CC1CCCC1)C1=N[N-]N=N1	REAL250004606486	0	39	-1.0	-45.39	317.80	4.59	-40.80
CCCC(NC(=O)C=CC1CCCC1)C1=NN=N[N-]1	REAL250004606486	1	39	-1.0	-45.36	317.86	4.60	-40.76
CCCC(NC(=O)C1CCC(=O)C1)C1=N[N-]N=N1	REAL250004606487	0	34	-1.0	-46.02	285.92	2.29	-43.73
CCCC(NC(=O)C1CCC(=O)C1)C1=NN=N[N-]1	REAL250004606487	1	34	-1.0	-46.05	285.98	2.31	-43.74
CCCC(NC(=O)C1=CN2CCCCC2=C1)C1=N[N-]N=N1	REAL250004606488	0	40	-1.0	-52.78	325.87	4.84	-47.94
CCCC(NC(=O)C1=CN2CCCCC2=C1)C1=NN=N[N-]1	REAL250004606488	1	40	-1.0	-52.75	325.92	4.85	-47.90
CCCC(NC(=O)C1=CSC(NCC)=N1)C1=NN=N[N-]1	REAL250004606490	0	36	-1.0	-46.24	320.75	1.53	-44.71
CCCC(NC(=O)C1=CSC(NCC)=N1)C1=N[N-]N=N1	REAL250004606490	1	36	-1.0	-46.24	320.70	1.51	-44.73
CCCC(NC(=O)CC1(COC)CC1)C1=N[N-]N=N1	REAL250004606491	0	39	-1.0	-46.29	322.62	2.40	-43.89
CCCC(NC(=O)CC1(COC)CC1)C1=NN=N[N-]1	REAL250004606491	1	39	-1.0	-46.29	322.67	2.41	-43.88
CCCC(NC(=O)CC1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL250004606492	0	35	-1.0	-41.81	309.36	3.85	-37.96
CCCC(NC(=O)CC1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL250004606492	1	35	-1.0	-41.83	309.42	3.86	-37.97
CCCC(NC(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004606493	0	38	-1.0	-53.70	326.72	4.11	-49.59
CCCC(NC(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004606493	1	38	-1.0	-53.70	326.66	4.10	-49.60
CCCC(NC(=O)C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL250004606494	0	41	-1.0	-43.67	335.72	3.76	-39.91
CCCC(NC(=O)C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL250004606494	1	41	-1.0	-43.67	335.66	3.76	-39.91
CCCC(NC(=O)C1=NN2CCOCC2=C1)C1=N[N-]N=N1	REAL250004606495	0	37	-1.0	-50.01	312.65	0.64	-49.37
CCCC(NC(=O)C1=NN2CCOCC2=C1)C1=NN=N[N-]1	REAL250004606495	1	37	-1.0	-49.99	312.71	0.66	-49.33
CCCC(NC(=O)CC(C)CCC=C(C)C)C1=N[N-]N=N1	REAL250004606496	0	47	-1.0	-44.89	369.03	6.10	-38.79
CCCC(NC(=O)CC(C)CCC=C(C)C)C1=NN=N[N-]1	REAL250004606496	1	47	-1.0	-44.93	369.09	6.11	-38.82
CCCC(NC(=O)CC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004606497	0	35	-1.0	-55.38	300.95	2.06	-53.32
CCCC(NC(=O)CC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004606497	1	35	-1.0	-55.36	301.00	2.08	-53.28
CCCC(NC(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004606498	0	37	-1.0	-52.84	310.93	4.11	-48.73
CCCC(NC(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004606498	1	37	-1.0	-52.85	310.87	4.09	-48.76
C=CCN1C=C(C(=O)NC(CCC)C2=NN=N[N-]2)N=N1	REAL250004606499	0	35	-1.0	-46.19	309.79	1.36	-44.83
C=CCN1C=C(C(=O)NC(CCC)C2=N[N-]N=N2)N=N1	REAL250004606499	1	35	-1.0	-46.23	309.73	1.34	-44.89
CCCC(NC(=O)C1=CN(C2CCC2)N=N1)C1=NN=N[N-]1	REAL250004606500	0	38	-1.0	-45.78	320.91	1.93	-43.85
CCCC(NC(=O)C1=CN(C2CCC2)N=N1)C1=N[N-]N=N1	REAL250004606500	1	38	-1.0	-45.80	320.85	1.91	-43.89
CCCC(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=N[N-]N=N1	REAL250004606501	0	44	-1.0	-45.65	348.82	5.24	-40.41
CCCC(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=NN=N[N-]1	REAL250004606501	1	44	-1.0	-45.71	348.87	5.26	-40.45
CCCC(NC(=O)C1=CON=C1C)C1=N[N-]N=N1	REAL250004606502	0	31	-1.0	-45.56	271.72	1.66	-43.90
CCCC(NC(=O)C1=CON=C1C)C1=NN=N[N-]1	REAL250004606502	1	31	-1.0	-45.61	271.78	1.68	-43.93
CCCC(NC(=O)C1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004606503	0	32	-1.0	-49.92	284.62	-1.48	-51.40
CCCC(NC(=O)C1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004606503	1	32	-1.0	-49.93	284.68	-1.47	-51.40
CCCC(NC(=O)C1CCCNC1=O)C1=N[N-]N=N1	REAL250004606504	0	36	-1.0	-46.64	294.19	0.20	-46.44
CCCC(NC(=O)C1CCCNC1=O)C1=NN=N[N-]1	REAL250004606504	1	36	-1.0	-46.66	294.25	0.22	-46.44
CCCC(NC(=O)C1=CNC(=O)N1C)C1=N[N-]N=N1	REAL250004606505	0	33	-1.0	-49.55	285.30	0.29	-49.26
CCCC(NC(=O)C1=CNC(=O)N1C)C1=NN=N[N-]1	REAL250004606505	1	33	-1.0	-49.54	285.36	0.30	-49.24
CCCC(NC(=O)CC1CSC1)C1=N[N-]N=N1	REAL250004606506	0	33	-1.0	-46.73	286.59	3.00	-43.73
CCCC(NC(=O)CC1CSC1)C1=NN=N[N-]1	REAL250004606506	1	33	-1.0	-46.75	286.65	3.01	-43.74
CCCC(NC(=O)C1=CN(C)N=C1OC)C1=NN=N[N-]1	REAL250004606507	0	36	-1.0	-55.64	311.32	-0.33	-55.97
CCCC(NC(=O)C1=CN(C)N=C1OC)C1=N[N-]N=N1	REAL250004606507	1	36	-1.0	-55.67	311.26	-0.34	-56.01
CCCC(NC(=O)C1=COC(SC)=C1)C1=N[N-]N=N1	REAL250004606508	0	33	-1.0	-48.43	302.13	2.81	-45.62
CCCC(NC(=O)C1=COC(SC)=C1)C1=NN=N[N-]1	REAL250004606508	1	33	-1.0	-48.41	302.18	2.82	-45.59
CCCC(NC(=O)C1=CN(C(C)C)N=C1C)C1=N[N-]N=N1	REAL250004606509	0	41	-1.0	-48.58	337.61	3.35	-45.23
CCCC(NC(=O)C1=CN(C(C)C)N=C1C)C1=NN=N[N-]1	REAL250004606509	1	41	-1.0	-48.59	337.66	3.37	-45.22
CCCC(NC(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004606510	0	34	-1.0	-44.45	302.43	2.74	-41.71
CCCC(NC(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004606510	1	34	-1.0	-44.45	302.49	2.76	-41.69
CCCC(NC(=O)C1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004606512	0	39	-1.0	-47.86	323.49	5.71	-42.15
CCCC(NC(=O)C1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004606512	1	39	-1.0	-47.86	323.55	5.72	-42.14
CCCC(NC(=O)CN1N=C(C)N(C)C1=O)C1=N[N-]N=N1	REAL250004606513	0	38	-1.0	-56.14	328.53	2.60	-53.54
CCCC(NC(=O)CN1N=C(C)N(C)C1=O)C1=NN=N[N-]1	REAL250004606513	1	38	-1.0	-56.18	328.59	2.61	-53.57
CCCC(NC(=O)C1=CC=C(OC)O1)C1=N[N-]N=N1	REAL250004606514	0	33	-1.0	-43.76	291.50	2.09	-41.67
CCCC(NC(=O)C1=CC=C(OC)O1)C1=NN=N[N-]1	REAL250004606514	1	33	-1.0	-43.75	291.56	2.10	-41.65
CCCC(NC(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL250004606515	0	47	-1.0	-45.14	352.27	5.68	-39.46
CCCC(NC(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL250004606515	1	47	-1.0	-45.16	352.33	5.69	-39.47
CCCC(NC(=O)C1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004606516	0	35	-1.0	-50.32	301.32	-0.73	-51.05
CCCC(NC(=O)C1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004606516	1	35	-1.0	-50.25	301.37	-0.71	-50.96
CCCC(NC(=O)C1CCN1C(C)(C)C)C1=N[N-]N=N1	REAL250004606517	0	43	-1.0	-49.08	332.47	0.93	-48.15
CCCC(NC(=O)C1CCN1C(C)(C)C)C1=NN=N[N-]1	REAL250004606517	1	43	-1.0	-49.03	332.53	0.95	-48.08
CCCC(NC(=O)CC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004606518	0	34	-1.0	-52.64	307.91	2.87	-49.77
CCCC(NC(=O)CC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004606518	1	34	-1.0	-52.65	307.85	2.85	-49.80
CCCC(NC(=O)C1=C(CC)N=CN1)C1=N[N-]N=N1	REAL250004606520	0	35	-1.0	-47.62	295.70	2.51	-45.11
CCCC(NC(=O)C1=C(CC)N=CN1)C1=NN=N[N-]1	REAL250004606520	1	35	-1.0	-47.62	295.76	2.53	-45.09
CCCC(NC(=O)C1=CC2=NC=C(C)N2C=C1)C1=N[N-]N=N1	REAL250004606521	0	38	-1.0	-52.07	322.63	4.72	-47.35
CCCC(NC(=O)C1=CC2=NC=C(C)N2C=C1)C1=NN=N[N-]1	REAL250004606521	1	38	-1.0	-52.07	322.69	4.73	-47.34
CCCC(NC(=O)C1=CN=C(Cl)N1C)C1=NN=N[N-]1	REAL250004606522	0	32	-1.0	-42.36	290.84	2.51	-39.85
CCCC(NC(=O)C1=CN=C(Cl)N1C)C1=N[N-]N=N1	REAL250004606522	1	32	-1.0	-42.35	290.78	2.49	-39.86
CCCC(NC(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL250004606523	0	35	-1.0	-46.62	307.53	2.08	-44.54
CCCC(NC(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL250004606523	1	35	-1.0	-46.65	307.58	2.09	-44.56
CCCC(NC(=O)CCCCC#N)C1=N[N-]N=N1	REAL250004606524	0	35	-1.0	-47.53	302.73	3.38	-44.15
CCCC(NC(=O)CCCCC#N)C1=NN=N[N-]1	REAL250004606524	1	35	-1.0	-47.54	302.79	3.40	-44.14
CCCC(NC(=O)C1=CN=C2C=CC=C(C)N12)C1=NN=N[N-]1	REAL250004606525	0	38	-1.0	-48.93	312.52	4.42	-44.51
CCCC(NC(=O)C1=CN=C2C=CC=C(C)N12)C1=N[N-]N=N1	REAL250004606525	1	38	-1.0	-48.95	312.46	4.40	-44.55
CCCC(NC(=O)C(C)=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004606526	0	38	-1.0	-46.71	316.36	3.62	-43.09
CCCC(NC(=O)C(C)=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004606526	1	38	-1.0	-46.67	316.42	3.65	-43.02
CCCC(NC(=O)C(C)=CC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606527	0	38	-1.0	-47.35	317.86	4.69	-42.66
CCCC(NC(=O)C(C)=CC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606527	1	38	-1.0	-47.37	317.92	4.71	-42.66
CCCC(NC(=O)C(C)=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004606528	0	38	-1.0	-46.34	316.52	3.64	-42.70
CCCC(NC(=O)C(C)=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004606528	1	38	-1.0	-46.32	316.58	3.65	-42.67
CCCC(NC(=O)C(C)=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004606529	0	36	-1.0	-46.97	303.78	3.81	-43.16
CCCC(NC(=O)C(C)=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004606529	1	36	-1.0	-46.97	303.84	3.82	-43.15
CCCC(NC(=O)C1=COC(CO)=C1)C1=N[N-]N=N1	REAL250004606530	0	33	-1.0	-51.33	291.00	-0.92	-52.25
CCCC(NC(=O)C1=COC(CO)=C1)C1=NN=N[N-]1	REAL250004606530	1	33	-1.0	-51.29	291.06	-0.91	-52.20
CCCC(NC(=O)[C@H]1CC[C@H](C)CC1)C1=N[N-]N=N1	REAL250004606531	0	41	-1.0	-44.70	320.92	4.48	-40.22
CCCC(NC(=O)[C@H]1CC[C@H](C)CC1)C1=NN=N[N-]1	REAL250004606531	1	41	-1.0	-44.73	320.98	4.49	-40.24
CCCC(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004606532	0	37	-1.0	-47.34	315.24	4.12	-43.22
CCCC(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004606532	1	37	-1.0	-47.34	315.30	4.13	-43.21
CCCC(NC(=O)C1=C2N=CNC2=CN=C1)C1=NN=N[N-]1	REAL250004606534	0	34	-1.0	-57.99	294.58	1.64	-56.35
CCCC(NC(=O)C1=C2N=CNC2=CN=C1)C1=N[N-]N=N1	REAL250004606534	1	34	-1.0	-58.03	294.52	1.63	-56.40
CCCC(NC(=O)CNC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606535	0	36	-1.0	-47.99	306.60	1.70	-46.29
CCCC(NC(=O)CNC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606535	1	36	-1.0	-47.97	306.66	1.71	-46.26
CCCC(NC(=O)C1CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL250004606536	0	34	-1.0	-59.34	297.66	-3.07	-62.41
CCCC(NC(=O)C1CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL250004606536	1	34	-1.0	-59.30	297.72	-3.05	-62.35
CCCC(NC(=O)C=CC1CCCCCC1)C1=N[N-]N=N1	REAL250004606537	0	45	-1.0	-45.06	347.94	5.64	-39.42
CCCC(NC(=O)C=CC1CCCCCC1)C1=NN=N[N-]1	REAL250004606537	1	45	-1.0	-45.10	347.99	5.65	-39.45
CCCC(NC(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004606538	0	42	-1.0	-44.94	338.50	5.96	-38.98
CCCC(NC(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004606538	1	42	-1.0	-44.89	338.56	5.97	-38.92
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=N[N-]N=N1	REAL250004606539	0	39	-1.0	-46.44	319.15	4.82	-41.62
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=NN=N[N-]1	REAL250004606539	1	39	-1.0	-46.44	319.21	4.84	-41.60
CCCC(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=N[N-]N=N1	REAL250004606540	0	40	-1.0	-46.13	312.06	4.64	-41.49
CCCC(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=NN=N[N-]1	REAL250004606540	1	40	-1.0	-46.14	312.12	4.66	-41.48
CCCC(NC(=O)CC(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004606541	0	38	-1.0	-43.55	316.49	4.24	-39.31
CCCC(NC(=O)CC(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004606541	1	38	-1.0	-43.55	316.54	4.25	-39.30
CCCC(NC(=O)CC1=NN(CC)C=C1)C1=N[N-]N=N1	REAL250004606542	0	38	-1.0	-55.55	322.48	2.92	-52.63
CCCC(NC(=O)CC1=NN(CC)C=C1)C1=NN=N[N-]1	REAL250004606542	1	38	-1.0	-55.54	322.54	2.93	-52.61
CCCC(NC(=O)C1=NC=CC=C1SC)C1=NN=N[N-]1	REAL250004606543	0	35	-1.0	-50.59	306.43	2.90	-47.69
CCCC(NC(=O)C1=NC=CC=C1SC)C1=N[N-]N=N1	REAL250004606543	1	35	-1.0	-50.57	306.37	2.89	-47.68
CCCC(NC(=O)[C@]12C[C@H]1COC2)C1=N[N-]N=N1	REAL250004606544	0	34	-1.0	-44.22	285.37	1.33	-42.89
CCCC(NC(=O)[C@]12C[C@H]1COC2)C1=NN=N[N-]1	REAL250004606544	1	34	-1.0	-44.25	285.43	1.34	-42.91
CCCC(NC(=O)C1=CC=CC(SC)=N1)C1=NN=N[N-]1	REAL250004606545	0	35	-1.0	-45.52	315.05	3.08	-42.44
CCCC(NC(=O)C1=CC=CC(SC)=N1)C1=N[N-]N=N1	REAL250004606545	1	35	-1.0	-45.54	315.00	3.07	-42.47
CCCC(NC(=O)C1=CON=C1CC)C1=N[N-]N=N1	REAL250004606546	0	34	-1.0	-45.65	293.22	2.39	-43.26
CCCC(NC(=O)C1=CON=C1CC)C1=NN=N[N-]1	REAL250004606546	1	34	-1.0	-45.67	293.27	2.41	-43.26
CCCC(NC(=O)C1CC1C1CCCC1)C1=N[N-]N=N1	REAL250004606547	0	42	-1.0	-46.10	329.82	5.18	-40.92
CCCC(NC(=O)C1CC1C1CCCC1)C1=NN=N[N-]1	REAL250004606547	1	42	-1.0	-46.11	329.88	5.20	-40.91
CCCC(NC(=O)CC(OC)C(F)(F)F)C1=N[N-]N=N1	REAL250004606548	0	35	-1.0	-44.11	306.91	2.19	-41.92
CCCC(NC(=O)CC(OC)C(F)(F)F)C1=NN=N[N-]1	REAL250004606548	1	35	-1.0	-44.15	306.96	2.21	-41.94
CCCC(NC(=O)CC1(CSC)CC1)C1=N[N-]N=N1	REAL250004606549	0	39	-1.0	-45.28	331.96	4.48	-40.80
CCCC(NC(=O)CC1(CSC)CC1)C1=NN=N[N-]1	REAL250004606549	1	39	-1.0	-45.27	332.02	4.49	-40.78
CCCC(NC(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004606550	0	35	-1.0	-66.17	311.84	-0.86	-67.03
CCCC(NC(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004606550	1	35	-1.0	-66.11	311.78	-0.88	-66.99
CCCC(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004606551	0	39	-1.0	-46.66	331.56	1.41	-45.25
CCCC(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004606551	1	39	-1.0	-46.67	331.50	1.39	-45.28
CCCC(NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=NN=N[N-]1	REAL250004606552	0	38	-1.0	-57.02	324.05	5.58	-51.44
CCCC(NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=N[N-]N=N1	REAL250004606552	1	38	-1.0	-57.03	323.99	5.57	-51.46
CCCC(NC(=O)CC1(C#N)CCCCC1)C1=N[N-]N=N1	REAL250004606553	0	42	-1.0	-50.39	331.59	4.27	-46.12
CCCC(NC(=O)CC1(C#N)CCCCC1)C1=NN=N[N-]1	REAL250004606553	1	42	-1.0	-50.41	331.65	4.29	-46.12
CCCC(NC(=O)C=C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004606554	0	41	-1.0	-44.58	322.90	4.28	-40.30
CCCC(NC(=O)C=C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004606554	1	41	-1.0	-44.59	322.96	4.29	-40.30
CCCC(NC(=O)CCC1=CC(OC)=NO1)C1=N[N-]N=N1	REAL250004606555	0	38	-1.0	-45.92	328.25	0.68	-45.24
CCCC(NC(=O)CCC1=CC(OC)=NO1)C1=NN=N[N-]1	REAL250004606555	1	38	-1.0	-45.96	328.31	0.69	-45.27
CCCC(NC(=O)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL250004606556	0	34	-1.0	-48.85	295.96	2.78	-46.07
CCCC(NC(=O)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL250004606556	1	34	-1.0	-48.86	295.90	2.77	-46.09
CCCC(NC(=O)C=CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004606557	0	35	-1.0	-51.08	309.55	1.37	-49.71
CCCC(NC(=O)C=CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004606557	1	35	-1.0	-51.08	309.61	1.38	-49.70
CCCC(NC(=O)C1=CSC(NC)=N1)C1=NN=N[N-]1	REAL250004606558	0	33	-1.0	-46.86	299.27	0.70	-46.16
CCCC(NC(=O)C1=CSC(NC)=N1)C1=N[N-]N=N1	REAL250004606558	1	33	-1.0	-46.89	299.21	0.68	-46.21
CCCC(NC(=O)CN1C=C(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004606559	0	39	-1.0	-54.74	330.51	3.89	-50.85
CCCC(NC(=O)CN1C=C(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004606559	1	39	-1.0	-54.73	330.47	3.86	-50.87
CCCC(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004606560	0	36	-1.0	-43.93	311.15	4.14	-39.79
CCCC(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004606560	1	36	-1.0	-43.95	311.21	4.15	-39.80
CCCC(NC(=O)C(CO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606561	0	39	-1.0	-46.98	325.60	1.53	-45.45
CCCC(NC(=O)C(CO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606561	1	39	-1.0	-46.95	325.66	1.55	-45.40
CCCC(NC(=O)C(O)C(C)(C)O)C1=N[N-]N=N1	REAL250004606562	0	36	-1.0	-48.37	293.37	-2.20	-50.57
CCCC(NC(=O)C(O)C(C)(C)O)C1=NN=N[N-]1	REAL250004606562	1	36	-1.0	-48.36	293.43	-2.19	-50.55
CCCC(NC(=O)C(C)C(O)CC)C1=N[N-]N=N1	REAL250004606563	0	38	-1.0	-48.58	304.24	1.19	-47.39
CCCC(NC(=O)C(C)C(O)CC)C1=NN=N[N-]1	REAL250004606563	1	38	-1.0	-48.58	304.29	1.21	-47.37
CCCC(NC(=O)CC1=NC(CC)=CN1)C1=N[N-]N=N1	REAL250004606564	0	38	-1.0	-56.88	320.86	2.36	-54.52
CCCC(NC(=O)CC1=NC(CC)=CN1)C1=NN=N[N-]1	REAL250004606564	1	38	-1.0	-56.90	320.92	2.38	-54.52
CCCC(NC(=O)C1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL250004606565	0	33	-1.0	-57.81	295.27	3.79	-54.02
CCCC(NC(=O)C1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL250004606565	1	33	-1.0	-57.82	295.22	3.78	-54.04
CCCC(NC(=O)C=C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004606566	0	36	-1.0	-45.11	308.38	3.70	-41.41
CCCC(NC(=O)C=C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004606566	1	36	-1.0	-45.14	308.44	3.71	-41.43
CCCC(NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=N[N-]N=N1	REAL250004606567	0	38	-1.0	-47.37	322.76	2.92	-44.45
CCCC(NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=NN=N[N-]1	REAL250004606567	1	38	-1.0	-47.37	322.81	2.93	-44.44
CCCC(NC(=O)CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL250004606568	0	37	-1.0	-48.85	310.97	3.00	-45.85
CCCC(NC(=O)CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL250004606568	1	37	-1.0	-48.86	311.03	3.01	-45.85
CCCC(NC(=O)C1=CC=NN1C(F)F)C1=NN=N[N-]1	REAL250004606569	0	32	-1.0	-47.51	281.02	1.98	-45.53
CCCC(NC(=O)C1=CC=NN1C(F)F)C1=N[N-]N=N1	REAL250004606569	1	32	-1.0	-47.50	280.96	1.97	-45.53
CCCC(NC(=O)CC(C)N1C=CC(C)=N1)C1=N[N-]N=N1	REAL250004606570	0	41	-1.0	-43.89	337.81	3.33	-40.56
CCCC(NC(=O)CC(C)N1C=CC(C)=N1)C1=NN=N[N-]1	REAL250004606570	1	41	-1.0	-43.92	337.87	3.35	-40.57
CCCC(NC(=O)C1CCCC2CC21)C1=N[N-]N=N1	REAL250004606571	0	39	-1.0	-46.62	306.67	4.45	-42.17
CCCC(NC(=O)C1CCCC2CC21)C1=NN=N[N-]1	REAL250004606571	1	39	-1.0	-46.63	306.72	4.46	-42.17
CCCC(NC(=O)CCCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004606572	0	40	-1.0	-49.72	336.65	4.10	-45.62
CCCC(NC(=O)CCCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004606572	1	40	-1.0	-49.70	336.71	4.12	-45.58
CCCC(NC(=O)C1=CC=C(CF)C=C1)C1=N[N-]N=N1	REAL250004606573	0	35	-1.0	-47.89	302.28	4.43	-43.46
CCCC(NC(=O)C1=CC=C(CF)C=C1)C1=NN=N[N-]1	REAL250004606573	1	35	-1.0	-47.84	302.33	4.45	-43.39
CCCC(NC(=O)C(OC)C1CCOC1)C1=N[N-]N=N1	REAL250004606574	0	40	-1.0	-46.48	325.56	1.56	-44.92
CCCC(NC(=O)C(OC)C1CCOC1)C1=NN=N[N-]1	REAL250004606574	1	40	-1.0	-46.44	325.62	1.58	-44.86
CCCC(NC(=O)CCC1CC1(F)F)C1=N[N-]N=N1	REAL250004606575	0	35	-1.0	-48.54	304.06	3.79	-44.75
CCCC(NC(=O)CCC1CC1(F)F)C1=NN=N[N-]1	REAL250004606575	1	35	-1.0	-48.53	304.12	3.82	-44.71
CCCC(NC(=O)CCOCCCOC)C1=N[N-]N=N1	REAL250004606576	0	42	-1.0	-44.63	349.61	1.22	-43.41
CCCC(NC(=O)CCOCCCOC)C1=NN=N[N-]1	REAL250004606576	1	42	-1.0	-44.63	349.67	1.24	-43.39
CCCC(NC(=O)C1=CN=CC(COC)=C1)C1=NN=N[N-]1	REAL250004606577	0	38	-1.0	-46.91	324.45	1.55	-45.36
CCCC(NC(=O)C1=CN=CC(COC)=C1)C1=N[N-]N=N1	REAL250004606577	1	38	-1.0	-46.99	324.39	1.54	-45.45
CCCC(NC(=O)CC1=C(C)C=CO1)C1=N[N-]N=N1	REAL250004606578	0	35	-1.0	-49.13	300.22	3.07	-46.06
CCCC(NC(=O)CC1=C(C)C=CO1)C1=NN=N[N-]1	REAL250004606578	1	35	-1.0	-49.19	300.27	3.09	-46.10
CCCC(NC(=O)C1=CN=C2CCCN12)C1=N[N-]N=N1	REAL250004606579	0	36	-1.0	-50.46	300.15	3.15	-47.31
CCCC(NC(=O)C1=CN=C2CCCN12)C1=NN=N[N-]1	REAL250004606579	1	36	-1.0	-50.47	300.20	3.17	-47.30
CCCC(NC(=O)C1=CN=C(C)N=C1N)C1=N[N-]N=N1	REAL250004606580	0	35	-1.0	-42.69	296.39	0.72	-41.97
CCCC(NC(=O)C1=CN=C(C)N=C1N)C1=NN=N[N-]1	REAL250004606580	1	35	-1.0	-42.71	296.45	0.74	-41.97
CCCC(NC(=O)C1=C2CCCCN2C=C1)C1=N[N-]N=N1	REAL250004606582	0	40	-1.0	-51.05	323.26	4.84	-46.21
CCCC(NC(=O)C1=C2CCCCN2C=C1)C1=NN=N[N-]1	REAL250004606582	1	40	-1.0	-51.01	323.32	4.86	-46.15
CCCC(NC(=O)C1=CN=C(NCC)S1)C1=NN=N[N-]1	REAL250004606583	0	36	-1.0	-46.66	320.50	1.65	-45.01
CCCC(NC(=O)C1=CN=C(NCC)S1)C1=N[N-]N=N1	REAL250004606583	1	36	-1.0	-46.64	320.44	1.64	-45.00
CCCC(NC(=O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004606584	0	39	-1.0	-46.49	323.49	5.73	-40.76
CCCC(NC(=O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004606584	1	39	-1.0	-46.47	323.54	5.73	-40.74
CCCC(NC(=O)C(OC)C1CCCC1)C1=N[N-]N=N1	REAL250004606585	0	42	-1.0	-45.87	334.69	4.20	-41.67
CCCC(NC(=O)C(OC)C1CCCC1)C1=NN=N[N-]1	REAL250004606585	1	42	-1.0	-45.86	334.75	4.21	-41.65
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004606586	0	42	-1.0	-45.59	344.67	6.17	-39.42
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004606586	1	42	-1.0	-45.60	344.72	6.18	-39.42
CCCC(NC(=O)C(OC)C1CCCCC1)C1=N[N-]N=N1	REAL250004606587	0	45	-1.0	-49.58	351.91	4.66	-44.92
CCCC(NC(=O)C(OC)C1CCCCC1)C1=NN=N[N-]1	REAL250004606587	1	45	-1.0	-49.59	351.96	4.67	-44.92
CCCC(NC(=O)C(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL250004606588	0	38	-1.0	-45.48	318.09	3.80	-41.68
CCCC(NC(=O)C(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL250004606588	1	38	-1.0	-45.45	318.15	3.81	-41.64
CCCC(NC(=O)C1CCC1(C)C)C1=N[N-]N=N1	REAL250004606589	0	38	-1.0	-45.47	302.37	3.52	-41.95
CCCC(NC(=O)C1CCC1(C)C)C1=NN=N[N-]1	REAL250004606589	1	38	-1.0	-45.49	302.42	3.53	-41.96
CCCC(NC(=O)C1CC2(C1)CCCCC2)C1=N[N-]N=N1	REAL250004606590	0	45	-1.0	-45.10	345.31	5.51	-39.59
CCCC(NC(=O)C1CC2(C1)CCCCC2)C1=NN=N[N-]1	REAL250004606590	1	45	-1.0	-45.13	345.37	5.52	-39.61
CCCC(NC(=O)C1=CC(COC)=CS1)C1=N[N-]N=N1	REAL250004606591	0	36	-1.0	-46.83	321.73	2.34	-44.49
CCCC(NC(=O)C1=CC(COC)=CS1)C1=NN=N[N-]1	REAL250004606591	1	36	-1.0	-46.84	321.79	2.36	-44.48
CCCC(NC(=O)[C@H]1OCC[C@H]1CC)C1=N[N-]N=N1	REAL250004606592	0	39	-1.0	-50.27	305.24	3.36	-46.91
CCCC(NC(=O)[C@H]1OCC[C@H]1CC)C1=NN=N[N-]1	REAL250004606592	1	39	-1.0	-50.25	305.30	3.37	-46.88
CCCC(NC(=O)CC(C)C1CCCO1)C1=N[N-]N=N1	REAL250004606593	0	42	-1.0	-43.90	328.92	2.95	-40.95
CCCC(NC(=O)CC(C)C1CCCO1)C1=NN=N[N-]1	REAL250004606593	1	42	-1.0	-43.91	328.98	2.97	-40.94
CCCC(NC(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL250004606594	0	36	-1.0	-45.64	306.09	1.23	-44.41
CCCC(NC(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL250004606594	1	36	-1.0	-45.63	306.14	1.24	-44.39
CCCC(NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=N[N-]N=N1	REAL250004606595	0	38	-1.0	-52.87	322.83	4.78	-48.09
CCCC(NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=NN=N[N-]1	REAL250004606595	1	38	-1.0	-52.82	322.88	4.79	-48.03
CCCC(NC(=O)C1=CN(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004606596	0	35	-1.0	-46.35	305.24	1.47	-44.88
CCCC(NC(=O)C1=CN(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004606596	1	35	-1.0	-46.35	305.18	1.46	-44.89
CCCC(NC(=O)C1=CC=C(NC)C(F)=C1)C1=N[N-]N=N1	REAL250004606597	0	37	-1.0	-45.85	314.56	2.53	-43.32
CCCC(NC(=O)C1=CC=C(NC)C(F)=C1)C1=NN=N[N-]1	REAL250004606597	1	37	-1.0	-45.87	314.62	2.55	-43.32
CCCC(NC(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL250004606598	0	39	-1.0	-50.20	316.72	4.59	-45.61
CCCC(NC(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL250004606598	1	39	-1.0	-50.24	316.78	4.60	-45.64
CCCC(NC(=O)COCC(F)F)C1=N[N-]N=N1	REAL250004606599	0	32	-1.0	-54.26	286.49	1.95	-52.31
CCCC(NC(=O)COCC(F)F)C1=NN=N[N-]1	REAL250004606599	1	32	-1.0	-54.28	286.55	1.96	-52.32
CCCC(NC(=O)C1=COC(OC)=N1)C1=NN=N[N-]1	REAL250004606600	0	32	-1.0	-45.17	286.29	-2.74	-47.91
CCCC(NC(=O)C1=COC(OC)=N1)C1=N[N-]N=N1	REAL250004606600	1	32	-1.0	-45.15	286.24	-2.76	-47.91
CCCC(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=N[N-]N=N1	REAL250004606601	0	42	-1.0	-44.97	340.29	3.14	-41.83
CCCC(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=NN=N[N-]1	REAL250004606601	1	42	-1.0	-45.00	340.34	3.15	-41.85
CCCC(NC(=O)C1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004606602	0	31	-1.0	-51.78	276.13	2.00	-49.78
CCCC(NC(=O)C1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004606602	1	31	-1.0	-51.75	276.07	1.98	-49.77
CCCC(NC(=O)C1=CN=C(C)O1)C1=N[N-]N=N1	REAL250004606603	0	31	-1.0	-44.54	275.30	-0.92	-45.46
CCCC(NC(=O)C1=CN=C(C)O1)C1=NN=N[N-]1	REAL250004606603	1	31	-1.0	-44.51	275.36	-0.90	-45.41
CCCC(NC(=O)C1=C(C)C=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004606604	0	35	-1.0	-44.06	311.03	3.41	-40.65
CCCC(NC(=O)C1=C(C)C=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004606604	1	35	-1.0	-44.05	311.09	3.42	-40.63
CCCC(NC(=O)CN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL250004606605	0	41	-1.0	-49.70	341.51	4.19	-45.51
CCCC(NC(=O)CN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL250004606605	1	41	-1.0	-49.64	341.57	4.20	-45.44
CCCC(NC(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL250004606606	0	42	-1.0	-49.41	336.95	-0.51	-49.92
CCCC(NC(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL250004606606	1	42	-1.0	-49.42	337.01	-0.50	-49.92
CCCC(NC(=O)C(COC)OC)C1=N[N-]N=N1	REAL250004606607	0	36	-1.0	-46.57	301.80	0.85	-45.72
CCCC(NC(=O)C(COC)OC)C1=NN=N[N-]1	REAL250004606607	1	36	-1.0	-46.58	301.86	0.87	-45.71
CCCC(NC(=O)C1=CN=C2COCCN12)C1=N[N-]N=N1	REAL250004606608	0	37	-1.0	-47.21	306.44	1.39	-45.82
CCCC(NC(=O)C1=CN=C2COCCN12)C1=NN=N[N-]1	REAL250004606608	1	37	-1.0	-47.22	306.50	1.41	-45.81
CCCC(NC(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL250004606609	0	40	-1.0	-49.20	323.15	1.94	-47.26
CCCC(NC(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL250004606609	1	40	-1.0	-49.21	323.21	1.96	-47.25
CCCC(NC(=O)[C@@H]1CCCN1C)C1=N[N-]N=N1	REAL250004606610	1	37	-1.0	-47.56	299.57	0.63	-46.93
CCCC(NC(=O)[C@@H]1CCCN1C)C1=NN=N[N-]1	REAL250004606610	1	37	-1.0	-47.54	299.63	0.65	-46.89
CCCC(NC(=O)[C@H]1CCCN1C)C1=N[N-]N=N1	REAL250004606611	1	37	-1.0	-47.90	299.72	0.77	-47.13
CCCC(NC(=O)[C@H]1CCCN1C)C1=NN=N[N-]1	REAL250004606611	1	37	-1.0	-47.90	299.78	0.79	-47.11
CCCC(NC(=O)C1=CN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004606612	0	35	-1.0	-47.67	305.25	0.99	-46.68
CCCC(NC(=O)C1=CN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004606612	1	35	-1.0	-47.74	305.31	1.00	-46.74
CCCC(NC(=O)CN1N=C(C)OC1=O)C1=N[N-]N=N1	REAL250004606614	0	34	-1.0	-51.95	303.22	-0.86	-52.81
CCCC(NC(=O)CN1N=C(C)OC1=O)C1=NN=N[N-]1	REAL250004606614	1	34	-1.0	-51.97	303.28	-0.84	-52.81
CCCC(NC(=O)CC(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004606615	0	38	-1.0	-44.28	317.74	3.79	-40.49
CCCC(NC(=O)CC(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004606615	1	38	-1.0	-44.28	317.80	3.80	-40.48
CCCC(NC(=O)C1C2CCCCCCC21)C1=N[N-]N=N1	REAL250004606616	0	45	-1.0	-45.98	335.09	5.42	-40.56
CCCC(NC(=O)C1C2CCCCCCC21)C1=NN=N[N-]1	REAL250004606616	1	45	-1.0	-46.03	335.15	5.44	-40.59
CCCC(NC(=O)C1=CC2=NN=NN2C=C1)C1=NN=N[N-]1	REAL250004606617	0	33	-1.0	-47.89	291.11	1.75	-46.14
CCCC(NC(=O)C1=CC2=NN=NN2C=C1)C1=N[N-]N=N1	REAL250004606617	1	33	-1.0	-47.93	291.05	1.74	-46.19
CCCC(NC(=O)C1CCC(C2CC2)CC1)C1=N[N-]N=N1	REAL250004606618	0	45	-1.0	-45.48	344.27	5.79	-39.69
CCCC(NC(=O)C1CCC(C2CC2)CC1)C1=NN=N[N-]1	REAL250004606618	1	45	-1.0	-45.48	344.33	5.81	-39.67
CCCC(NC(=O)C(CCC)OCC)C1=N[N-]N=N1	REAL250004606620	0	41	-1.0	-48.58	335.58	3.97	-44.61
CCCC(NC(=O)C(CCC)OCC)C1=NN=N[N-]1	REAL250004606620	1	41	-1.0	-48.58	335.64	3.99	-44.59
CCCC(NC(=O)C1CC(OC)C1)C1=N[N-]N=N1	REAL250004606621	0	36	-1.0	-50.08	299.09	1.56	-48.52
CCCC(NC(=O)C1CC(OC)C1)C1=NN=N[N-]1	REAL250004606621	1	36	-1.0	-50.09	299.15	1.57	-48.52
CCCC(NC(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL250004606622	0	40	-1.0	-46.85	325.43	6.06	-40.79
CCCC(NC(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL250004606622	1	40	-1.0	-46.87	325.49	6.08	-40.79
CCCC(NC(=O)C(OCC)C1CC1)C1=N[N-]N=N1	REAL250004606623	0	39	-1.0	-49.68	321.20	3.90	-45.78
CCCC(NC(=O)C(OCC)C1CC1)C1=NN=N[N-]1	REAL250004606623	1	39	-1.0	-49.69	321.26	3.92	-45.77
CCCC(NC(=O)C1=C(C)C=C(SC)O1)C1=N[N-]N=N1	REAL250004606624	0	36	-1.0	-44.18	319.62	3.50	-40.68
CCCC(NC(=O)C1=C(C)C=C(SC)O1)C1=NN=N[N-]1	REAL250004606624	1	36	-1.0	-44.20	319.68	3.52	-40.68
CCCC(NC(=O)C=CC1=CC=CS1)C1=N[N-]N=N1	REAL250004606625	0	33	-1.0	-45.78	299.07	3.91	-41.87
CCCC(NC(=O)C=CC1=CC=CS1)C1=NN=N[N-]1	REAL250004606625	1	33	-1.0	-45.77	299.13	3.93	-41.84
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL250004606626	0	41	-1.0	-47.65	334.48	5.52	-42.13
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL250004606626	1	41	-1.0	-47.64	334.53	5.54	-42.10
CCCC(NC(=O)C1=CN(C2CC2)N=C1)C1=NN=N[N-]1	REAL250004606627	0	36	-1.0	-47.12	309.03	2.91	-44.21
CCCC(NC(=O)C1=CN(C2CC2)N=C1)C1=N[N-]N=N1	REAL250004606627	1	36	-1.0	-47.13	308.97	2.89	-44.24
CCCC(NC(=O)CC(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004606628	0	40	-1.0	-44.62	329.07	3.80	-40.82
CCCC(NC(=O)CC(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004606628	1	40	-1.0	-44.62	329.13	3.81	-40.81
CCCC(NC(=O)[C@@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004606629	0	31	-1.0	-51.37	271.34	-2.11	-53.48
CCCC(NC(=O)[C@@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004606629	1	31	-1.0	-51.39	271.40	-2.09	-53.48
CCCC(NC(=O)CC1=CSC=N1)C1=N[N-]N=N1	REAL250004606630	0	31	-1.0	-51.82	282.41	1.47	-50.35
CCCC(NC(=O)CC1=CSC=N1)C1=NN=N[N-]1	REAL250004606630	1	31	-1.0	-51.81	282.46	1.49	-50.32
CCCC(NC(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004606631	0	35	-1.0	-54.24	314.19	2.56	-51.68
CCCC(NC(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004606631	1	35	-1.0	-54.23	314.25	2.58	-51.65
CCCC(NC(=O)C1=CC(C)=CN2C=CN=C12)C1=N[N-]N=N1	REAL250004606632	0	38	-1.0	-54.17	320.96	5.39	-48.78
CCCC(NC(=O)C1=CC(C)=CN2C=CN=C12)C1=NN=N[N-]1	REAL250004606632	1	38	-1.0	-54.21	321.02	5.41	-48.80
CCCC(NC(=O)C1CCCC2(CC2)C1)C1=N[N-]N=N1	REAL250004606633	0	42	-1.0	-45.71	331.50	5.16	-40.55
CCCC(NC(=O)C1CCCC2(CC2)C1)C1=NN=N[N-]1	REAL250004606633	1	42	-1.0	-45.73	331.55	5.18	-40.55
CCCC(NC(=O)C1=CC=NN1CCC)C1=NN=N[N-]1	REAL250004606634	0	38	-1.0	-43.40	318.06	2.98	-40.42
CCCC(NC(=O)C1=CC=NN1CCC)C1=N[N-]N=N1	REAL250004606634	1	38	-1.0	-43.42	318.01	2.96	-40.46
CCCC(NC(=O)CN1C=NC=C1C)C1=NN=N[N-]1	REAL250004606635	0	35	-1.0	-50.23	299.84	3.84	-46.39
CCCC(NC(=O)CN1C=NC=C1C)C1=N[N-]N=N1	REAL250004606635	1	35	-1.0	-50.17	299.78	3.83	-46.34
CCCC(NC(=O)C1=CC=CC(OC)=C1C)C1=N[N-]N=N1	REAL250004606636	0	39	-1.0	-47.88	318.34	3.68	-44.20
CCCC(NC(=O)C1=CC=CC(OC)=C1C)C1=NN=N[N-]1	REAL250004606636	1	39	-1.0	-47.91	318.39	3.70	-44.21
CCCC(NC(=O)C1=CC(CC)=CNC1=O)C1=N[N-]N=N1	REAL250004606637	0	38	-1.0	-57.45	319.25	2.26	-55.19
CCCC(NC(=O)C1=CC(CC)=CNC1=O)C1=NN=N[N-]1	REAL250004606637	1	38	-1.0	-57.50	319.30	2.27	-55.23
CCCC(NC(=O)C(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606638	0	39	-1.0	-46.02	330.05	3.00	-43.02
CCCC(NC(=O)C(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606638	1	39	-1.0	-46.01	330.11	3.03	-42.98
CCCC(NC(=O)C1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004606639	0	32	-1.0	-45.96	296.75	1.76	-44.20
CCCC(NC(=O)C1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004606639	1	32	-1.0	-45.96	296.69	1.75	-44.21
CCCC(NC(=O)CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL250004606640	0	41	-1.0	-47.15	341.74	5.62	-41.53
CCCC(NC(=O)CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL250004606640	1	41	-1.0	-47.13	341.79	5.62	-41.51
CCCC(NC(=O)C1=C(Cl)C=NN1CC)C1=NN=N[N-]1	REAL250004606641	0	35	-1.0	-41.45	318.55	2.64	-38.81
CCCC(NC(=O)C1=C(Cl)C=NN1CC)C1=N[N-]N=N1	REAL250004606641	1	35	-1.0	-41.45	318.49	2.63	-38.82
CCCC(NC(=O)C(OC)C1CCC1)C1=N[N-]N=N1	REAL250004606642	0	39	-1.0	-49.96	311.33	3.53	-46.43
CCCC(NC(=O)C(OC)C1CCC1)C1=NN=N[N-]1	REAL250004606642	1	39	-1.0	-49.98	311.38	3.54	-46.44
CCCCC(C(=O)NC(CCC)C1=N[N-]N=N1)C(C)C	REAL250004606643	0	46	-1.0	-44.74	349.17	5.47	-39.27
CCCCC(C(=O)NC(CCC)C1=NN=N[N-]1)C(C)C	REAL250004606643	1	46	-1.0	-44.72	349.23	5.50	-39.22
CCCC(NC(=O)C1=CN(CC)C=N1)C1=NN=N[N-]1	REAL250004606644	0	35	-1.0	-50.25	301.73	3.77	-46.48
CCCC(NC(=O)C1=CN(CC)C=N1)C1=N[N-]N=N1	REAL250004606644	1	35	-1.0	-50.25	301.67	3.75	-46.50
CCCC(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=N[N-]N=N1	REAL250004606645	0	34	-1.0	-45.88	285.30	1.42	-44.46
CCCC(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=NN=N[N-]1	REAL250004606645	1	34	-1.0	-45.84	285.35	1.43	-44.41
CCCC(NC(=O)C1CCC2(CC2)CC1)C1=N[N-]N=N1	REAL250004606646	0	42	-1.0	-45.92	331.42	5.16	-40.76
CCCC(NC(=O)C1CCC2(CC2)CC1)C1=NN=N[N-]1	REAL250004606646	1	42	-1.0	-45.92	331.48	5.18	-40.74
CCCC(NC(=O)C1=NN(C)C=C1Cl)C1=NN=N[N-]1	REAL250004606647	0	32	-1.0	-50.46	295.09	1.94	-48.52
CCCC(NC(=O)C1=NN(C)C=C1Cl)C1=N[N-]N=N1	REAL250004606647	1	32	-1.0	-50.45	295.03	1.93	-48.52
CCCC(NC(=O)C1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL250004606648	0	29	-1.0	-47.25	279.31	3.14	-44.11
CCCC(NC(=O)C1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL250004606648	1	29	-1.0	-47.29	279.37	3.16	-44.13
CCCC(NC(=O)C=C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL250004606649	0	36	-1.0	-44.08	317.32	4.68	-39.40
CCCC(NC(=O)C=C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL250004606649	1	36	-1.0	-44.10	317.37	4.70	-39.40
CCCC(NC(=O)C1=NC=CN=C1C)C1=N[N-]N=N1	REAL250004606650	0	33	-1.0	-45.84	282.58	0.69	-45.15
CCCC(NC(=O)C1=NC=CN=C1C)C1=NN=N[N-]1	REAL250004606650	1	33	-1.0	-45.84	282.64	0.71	-45.13
CCCC(NC(=O)CCC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004606651	0	37	-1.0	-52.06	317.10	1.58	-50.48
CCCC(NC(=O)CCC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004606651	1	37	-1.0	-52.06	317.16	1.59	-50.47
CCCC(NC(=O)CCCOCCOCC)C1=N[N-]N=N1	REAL250004606652	0	45	-1.0	-50.07	371.41	2.34	-47.73
CCCC(NC(=O)CCCOCCOCC)C1=NN=N[N-]1	REAL250004606652	1	45	-1.0	-50.10	371.47	2.36	-47.74
CCCC(NC(=O)C1=C(C)OC(SC)=C1)C1=N[N-]N=N1	REAL250004606653	0	36	-1.0	-44.38	320.38	3.61	-40.77
CCCC(NC(=O)C1=C(C)OC(SC)=C1)C1=NN=N[N-]1	REAL250004606653	1	36	-1.0	-44.41	320.44	3.62	-40.79
CCCC(NC(=O)C1=CC(Cl)=NO1)C1=NN=N[N-]1	REAL250004606654	0	28	-1.0	-38.85	270.16	1.47	-37.38
CCCC(NC(=O)C1=CC(Cl)=NO1)C1=N[N-]N=N1	REAL250004606654	1	28	-1.0	-38.82	270.10	1.46	-37.36
CCCC(NC(=O)[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004606655	0	31	-1.0	-51.36	271.34	-2.11	-53.47
CCCC(NC(=O)[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004606655	1	31	-1.0	-51.39	271.40	-2.09	-53.48
CCCC(NC(=O)C1CNC(=O)N1C)C1=N[N-]N=N1	REAL250004606656	0	35	-1.0	-51.42	294.50	-0.91	-52.33
CCCC(NC(=O)C1CNC(=O)N1C)C1=NN=N[N-]1	REAL250004606656	1	35	-1.0	-51.41	294.56	-0.89	-52.30
CCCC(NC(=O)C(=O)C(C)(C)CC)C1=N[N-]N=N1	REAL250004606657	0	39	-1.0	-40.38	310.46	2.85	-37.53
CCCC(NC(=O)C(=O)C(C)(C)CC)C1=NN=N[N-]1	REAL250004606657	1	39	-1.0	-40.38	310.52	2.86	-37.52
CCCC(NC(=O)CC1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004606658	0	38	-1.0	-51.70	326.01	3.97	-47.73
CCCC(NC(=O)CC1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004606658	1	38	-1.0	-51.73	326.07	3.99	-47.74
CCCC(NC(=O)C1(C2=CC(C)=NO2)CC1)C1=N[N-]N=N1	REAL250004606659	0	38	-1.0	-44.19	327.60	3.72	-40.47
CCCC(NC(=O)C1(C2=CC(C)=NO2)CC1)C1=NN=N[N-]1	REAL250004606659	1	38	-1.0	-44.18	327.65	3.73	-40.45
CCCC(NC(=O)C1CN(C)CC(C)O1)C1=N[N-]N=N1	REAL250004606661	0	41	-1.0	-47.96	330.23	0.81	-47.15
CCCC(NC(=O)C1CN(C)CC(C)O1)C1=NN=N[N-]1	REAL250004606661	1	41	-1.0	-47.96	330.28	0.82	-47.14
CCCC(NC(=O)C=CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004606663	0	35	-1.0	-52.01	309.26	4.37	-47.64
CCCC(NC(=O)C=CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004606663	1	35	-1.0	-52.02	309.21	4.36	-47.66
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=N[N-]N=N1	REAL250004606664	0	36	-1.0	-56.78	308.15	3.25	-53.53
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=NN=N[N-]1	REAL250004606664	1	36	-1.0	-56.75	308.21	3.26	-53.49
CCCC(NC(=O)CN1N=CC=C1C)C1=N[N-]N=N1	REAL250004606665	0	35	-1.0	-52.71	300.91	2.20	-50.51
CCCC(NC(=O)CN1N=CC=C1C)C1=NN=N[N-]1	REAL250004606665	1	35	-1.0	-52.72	300.97	2.21	-50.51
CCCC(NC(=O)C=CC=C(Cl)Cl)C1=N[N-]N=N1	REAL250004606666	0	30	-1.0	-45.09	295.64	3.56	-41.53
CCCC(NC(=O)C=CC=C(Cl)Cl)C1=NN=N[N-]1	REAL250004606666	1	30	-1.0	-45.08	295.70	3.58	-41.50
CCCC(NC(=O)C1=CC(CO)=C(C)O1)C1=N[N-]N=N1	REAL250004606667	0	36	-1.0	-50.50	312.06	-0.17	-50.67
CCCC(NC(=O)C1=CC(CO)=C(C)O1)C1=NN=N[N-]1	REAL250004606667	1	36	-1.0	-50.51	312.12	-0.16	-50.67
CCCC(NC(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL250004606668	0	42	-1.0	-44.92	315.17	2.92	-42.00
CCCC(NC(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL250004606668	1	42	-1.0	-44.90	315.23	2.93	-41.97
CCCC(NC(=O)C1=CC(=O)N(C)C=N1)C1=NN=N[N-]1	REAL250004606670	0	34	-1.0	-53.70	296.87	2.22	-51.48
CCCC(NC(=O)C1=CC(=O)N(C)C=N1)C1=N[N-]N=N1	REAL250004606670	1	34	-1.0	-53.71	296.81	2.21	-51.50
CCCC(NC(=O)CC=CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606671	0	42	-1.0	-47.14	354.49	6.50	-40.64
CCCC(NC(=O)CC=CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606671	1	42	-1.0	-47.12	354.54	6.52	-40.60
CCCC(NC(=O)C1OCCN(C)C1=O)C1=N[N-]N=N1	REAL250004606672	0	37	-1.0	-54.64	307.07	0.96	-53.68
CCCC(NC(=O)C1OCCN(C)C1=O)C1=NN=N[N-]1	REAL250004606672	1	37	-1.0	-54.67	307.13	0.97	-53.70
CCCC(NC(=O)C1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004606674	0	35	-1.0	-46.44	299.06	1.48	-44.96
CCCC(NC(=O)C1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004606674	1	35	-1.0	-46.44	299.00	1.46	-44.98
CCCC(NC(=O)CCC1=NN=C(C)O1)C1=N[N-]N=N1	REAL250004606675	0	36	-1.0	-46.44	312.43	-1.98	-48.42
CCCC(NC(=O)CCC1=NN=C(C)O1)C1=NN=N[N-]1	REAL250004606675	1	36	-1.0	-46.47	312.48	-1.96	-48.43
CCCC(NC(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004606676	0	34	-1.0	-44.16	301.54	-1.63	-45.79
CCCC(NC(=O)C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004606676	1	34	-1.0	-44.17	301.60	-1.62	-45.79
CCCC(NC(=O)C1=CC=CN2N=NN=C12)C1=NN=N[N-]1	REAL250004606677	0	33	-1.0	-52.57	290.29	2.10	-50.47
CCCC(NC(=O)C1=CC=CN2N=NN=C12)C1=N[N-]N=N1	REAL250004606677	1	33	-1.0	-52.56	290.23	2.08	-50.48
CCCC(NC(=O)C1=CC(F)=CNC1=O)C1=N[N-]N=N1	REAL250004606678	0	32	-1.0	-55.48	282.95	0.92	-54.56
CCCC(NC(=O)C1=CC(F)=CNC1=O)C1=NN=N[N-]1	REAL250004606678	1	32	-1.0	-55.45	283.01	0.93	-54.52
C#CC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL250004606679	0	34	-1.0	-46.69	301.49	4.82	-41.87
C#CC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL250004606679	1	34	-1.0	-46.69	301.55	4.83	-41.86
CCCC(NC(=O)C1(C#N)CCOC1)C1=N[N-]N=N1	REAL250004606680	0	34	-1.0	-44.77	291.60	0.75	-44.02
CCCC(NC(=O)C1(C#N)CCOC1)C1=NN=N[N-]1	REAL250004606680	1	34	-1.0	-44.82	291.65	0.76	-44.06
CCCC(NC(=O)C1=CC(C=O)=CC=C1F)C1=N[N-]N=N1	REAL250004606681	0	34	-1.0	-55.79	302.07	3.44	-52.35
CCCC(NC(=O)C1=CC(C=O)=CC=C1F)C1=NN=N[N-]1	REAL250004606681	1	34	-1.0	-55.78	302.13	3.44	-52.34
CCCC(NC(=O)CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004606682	0	37	-1.0	-48.24	322.20	4.02	-44.22
CCCC(NC(=O)CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004606682	1	37	-1.0	-48.26	322.25	4.04	-44.22
CCCC(NC(=O)C(C)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004606683	0	36	-1.0	-50.20	304.45	1.02	-49.18
CCCC(NC(=O)C(C)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004606683	1	36	-1.0	-50.20	304.51	1.04	-49.16
CCCC(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=N[N-]N=N1	REAL250004606684	0	34	-1.0	-45.92	302.06	3.43	-42.49
CCCC(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=NN=N[N-]1	REAL250004606684	1	34	-1.0	-45.98	302.12	3.44	-42.54
CCCC(NC(=O)C1=CSN=C1Cl)C1=NN=N[N-]1	REAL250004606685	0	28	-1.0	-46.39	273.51	1.70	-44.69
CCCC(NC(=O)C1=CSN=C1Cl)C1=N[N-]N=N1	REAL250004606685	1	28	-1.0	-46.35	273.45	1.68	-44.67
CCCC(NC(=O)CCOC1COC1)C1=N[N-]N=N1	REAL250004606686	0	37	-1.0	-44.04	312.24	-0.07	-44.11
CCCC(NC(=O)CCOC1COC1)C1=NN=N[N-]1	REAL250004606686	1	37	-1.0	-44.07	312.30	-0.06	-44.13
CCCC(NC(=O)C1=CSC=C1Cl)C1=N[N-]N=N1	REAL250004606687	0	29	-1.0	-48.14	279.35	3.06	-45.08
CCCC(NC(=O)C1=CSC=C1Cl)C1=NN=N[N-]1	REAL250004606687	1	29	-1.0	-48.12	279.41	3.08	-45.04
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL250004606688	0	43	-1.0	-48.20	344.00	3.57	-44.63
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL250004606688	1	43	-1.0	-48.25	344.06	3.58	-44.67
CCCC(NC(=O)CC(CC)C(C)(C)C)C1=N[N-]N=N1	REAL250004606689	0	46	-1.0	-44.63	340.72	4.68	-39.95
CCCC(NC(=O)CC(CC)C(C)(C)C)C1=NN=N[N-]1	REAL250004606689	1	46	-1.0	-44.66	340.77	4.70	-39.96
CCCC(NC(=O)C1=CC(F)=CC=C1CC)C1=N[N-]N=N1	REAL250004606690	0	38	-1.0	-44.33	314.68	5.06	-39.27
CCCC(NC(=O)C1=CC(F)=CC=C1CC)C1=NN=N[N-]1	REAL250004606690	1	38	-1.0	-44.31	314.74	5.07	-39.24
CCCC(NC(=O)C1=C(COC)SC=C1)C1=N[N-]N=N1	REAL250004606691	0	36	-1.0	-47.53	316.17	2.38	-45.15
CCCC(NC(=O)C1=C(COC)SC=C1)C1=NN=N[N-]1	REAL250004606691	1	36	-1.0	-47.54	316.23	2.40	-45.14
CCCC(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL250004606692	0	39	-1.0	-50.02	328.02	5.39	-44.63
CCCC(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL250004606692	1	39	-1.0	-50.01	327.96	5.37	-44.64
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004606693	0	42	-1.0	-46.00	348.25	6.31	-39.69
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004606693	1	42	-1.0	-45.95	348.31	6.33	-39.62
CCCC(NC(=O)C1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004606694	0	32	-1.0	-43.04	293.58	2.75	-40.29
CCCC(NC(=O)C1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004606694	1	32	-1.0	-43.06	293.64	2.76	-40.30
CCCC(NC(=O)C1=C(C(F)F)N=CO1)C1=N[N-]N=N1	REAL250004606695	0	31	-1.0	-48.95	282.86	-0.78	-49.73
CCCC(NC(=O)C1=C(C(F)F)N=CO1)C1=NN=N[N-]1	REAL250004606695	1	31	-1.0	-48.97	282.92	-0.77	-49.74
CCCC(NC(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL250004606696	0	38	-1.0	-53.87	334.79	2.44	-51.43
CCCC(NC(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL250004606696	1	38	-1.0	-53.86	334.84	2.46	-51.40
CCCC(NC(=O)C1=CC(=O)N=CN1)C1=N[N-]N=N1	REAL250004606697	0	31	-1.0	-55.63	274.83	-0.15	-55.78
CCCC(NC(=O)C1=CC(=O)N=CN1)C1=NN=N[N-]1	REAL250004606697	1	31	-1.0	-55.66	274.88	-0.14	-55.80
CCCC(NC(=O)CN1CCOC1=O)C1=N[N-]N=N1	REAL250004606698	0	34	-1.0	-51.24	294.16	1.13	-50.11
CCCC(NC(=O)CN1CCOC1=O)C1=NN=N[N-]1	REAL250004606698	1	34	-1.0	-51.22	294.22	1.15	-50.07
CCCC(NC(=O)CCCN1C=NC=N1)C1=NN=N[N-]1	REAL250004606699	0	37	-1.0	-53.89	317.61	4.53	-49.36
CCCC(NC(=O)CCCN1C=NC=N1)C1=N[N-]N=N1	REAL250004606699	1	37	-1.0	-53.84	317.56	4.51	-49.33
CCCC(NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=N[N-]N=N1	REAL250004606700	0	38	-1.0	-46.07	320.37	2.41	-43.66
CCCC(NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=NN=N[N-]1	REAL250004606700	1	38	-1.0	-46.09	320.43	2.42	-43.67
CCCC(NC(=O)CN1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004606701	0	38	-1.0	-56.72	306.89	-2.65	-59.37
CCCC(NC(=O)CN1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004606701	1	38	-1.0	-56.72	306.94	-2.63	-59.35
CCCC=CC(O)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606702	0	39	-1.0	-44.78	324.53	2.30	-42.48
CCCC=CC(O)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606702	1	39	-1.0	-44.82	324.59	2.32	-42.50
CCCC(NC(=O)C1=C(C)NN=C1Cl)C1=N[N-]N=N1	REAL250004606703	0	32	-1.0	-49.64	296.73	0.96	-48.68
CCCC(NC(=O)C1=C(C)NN=C1Cl)C1=NN=N[N-]1	REAL250004606703	1	32	-1.0	-49.65	296.79	0.98	-48.67
CCCC(NC(=O)CC1=CN=C(C)O1)C1=N[N-]N=N1	REAL250004606704	0	34	-1.0	-50.61	296.33	-0.10	-50.71
CCCC(NC(=O)CC1=CN=C(C)O1)C1=NN=N[N-]1	REAL250004606704	1	34	-1.0	-50.61	296.39	-0.09	-50.70
CCCC(NC(=O)CC1=CON=C1)C1=NN=N[N-]1	REAL250004606705	0	31	-1.0	-46.80	273.96	1.71	-45.09
CCCC(NC(=O)CC1=CON=C1)C1=N[N-]N=N1	REAL250004606705	1	31	-1.0	-46.80	273.90	1.69	-45.11
CCCC(NC(=O)C=CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004606706	0	35	-1.0	-46.34	316.10	2.80	-43.54
CCCC(NC(=O)C=CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004606706	1	35	-1.0	-46.33	316.16	2.82	-43.51
CCCC(NC(=O)C1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL250004606707	0	34	-1.0	-47.56	294.67	2.86	-44.70
CCCC(NC(=O)C1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL250004606707	1	34	-1.0	-47.53	294.61	2.85	-44.68
CCCC(NC(=O)C1=CC=C(C=O)S1)C1=N[N-]N=N1	REAL250004606708	0	31	-1.0	-46.11	291.05	2.48	-43.63
CCCC(NC(=O)C1=CC=C(C=O)S1)C1=NN=N[N-]1	REAL250004606708	1	31	-1.0	-46.13	291.11	2.50	-43.63
CCCC(NC(=O)C1=NC=CN=C1Cl)C1=NN=N[N-]1	REAL250004606710	0	30	-1.0	-48.36	279.04	0.50	-47.86
CCCC(NC(=O)C1=NC=CN=C1Cl)C1=N[N-]N=N1	REAL250004606710	1	30	-1.0	-48.36	278.98	0.49	-47.87
CCCC(NC(=O)C1=NC2=CC=NN2C=C1)C1=NN=N[N-]1	REAL250004606711	0	34	-1.0	-45.13	298.97	2.61	-42.52
CCCC(NC(=O)C1=NC2=CC=NN2C=C1)C1=N[N-]N=N1	REAL250004606711	1	34	-1.0	-45.18	298.91	2.59	-42.59
CCCC(NC(=O)C1=CN(C)C(=O)N1C)C1=N[N-]N=N1	REAL250004606712	0	36	-1.0	-50.02	306.00	2.36	-47.66
CCCC(NC(=O)C1=CN(C)C(=O)N1C)C1=NN=N[N-]1	REAL250004606712	1	36	-1.0	-50.03	306.06	2.38	-47.65
CCCC(NC(=O)C1=CN=C(C)N1C)C1=N[N-]N=N1	REAL250004606713	0	35	-1.0	-46.82	294.07	2.55	-44.27
CCCC(NC(=O)C1=CN=C(C)N1C)C1=NN=N[N-]1	REAL250004606713	1	35	-1.0	-46.77	294.13	2.57	-44.20
CCCC(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=N[N-]N=N1	REAL250004606714	0	33	-1.0	-56.95	286.75	-1.32	-58.27
CCCC(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=NN=N[N-]1	REAL250004606714	1	33	-1.0	-56.97	286.81	-1.31	-58.28
CCCC(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004606716	0	38	-1.0	-50.40	331.98	4.53	-45.87
CCCC(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004606716	1	38	-1.0	-50.47	332.04	4.56	-45.91
CCCC(NC(=O)C1=CN2CCOCC2=N1)C1=N[N-]N=N1	REAL250004606720	0	37	-1.0	-50.51	312.54	1.41	-49.10
CCCC(NC(=O)C1=CN2CCOCC2=N1)C1=NN=N[N-]1	REAL250004606720	1	37	-1.0	-50.51	312.60	1.43	-49.08
CCCC(NC(=O)C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL250004606721	0	35	-1.0	-49.43	312.34	2.74	-46.69
CCCC(NC(=O)C1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL250004606721	1	35	-1.0	-49.37	312.40	2.75	-46.62
CCCC(NC(=O)[C@@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL250004606722	0	39	-1.0	-62.21	320.56	2.07	-60.14
CCCC(NC(=O)[C@@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL250004606722	1	39	-1.0	-62.17	320.62	2.09	-60.08
CCCC(NC(=O)CCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004606723	0	38	-1.0	-45.56	316.29	1.59	-43.97
CCCC(NC(=O)CCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004606723	1	38	-1.0	-45.56	316.35	1.60	-43.96
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=N[N-]N=N1	REAL250004606724	0	36	-1.0	-46.09	311.30	3.90	-42.19
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=NN=N[N-]1	REAL250004606724	1	36	-1.0	-46.07	311.36	3.92	-42.15
CCCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004606725	0	37	-1.0	-63.80	312.91	-0.45	-64.25
CCCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004606725	1	37	-1.0	-63.80	312.97	-0.44	-64.24
CCCC(NC(=O)C1=CN(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004606726	0	36	-1.0	-49.65	309.17	4.23	-45.42
CCCC(NC(=O)C1=CN(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004606726	1	36	-1.0	-49.62	309.11	4.22	-45.40
CCCC(NC(=O)C(CC)NC(C)=O)C1=N[N-]N=N1	REAL250004606727	0	38	-1.0	-42.30	310.80	0.47	-41.83
CCCC(NC(=O)C(CC)NC(C)=O)C1=NN=N[N-]1	REAL250004606727	1	38	-1.0	-42.23	310.85	0.49	-41.74
CCCC(NC(=O)C1=CC=C(C)C(F)=C1F)C1=N[N-]N=N1	REAL250004606728	0	35	-1.0	-52.35	305.41	4.41	-47.94
CCCC(NC(=O)C1=CC=C(C)C(F)=C1F)C1=NN=N[N-]1	REAL250004606728	1	35	-1.0	-52.32	305.47	4.43	-47.89
CCCC(NC(=O)[C@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004606729	0	32	-1.0	-55.29	277.41	2.64	-52.65
CCCC(NC(=O)[C@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004606729	1	32	-1.0	-55.36	277.46	2.66	-52.70
CCCC(NC(=O)C1=CC=C(C)N=C1NC)C1=N[N-]N=N1	REAL250004606730	0	39	-1.0	-45.83	322.65	2.78	-43.05
CCCC(NC(=O)C1=CC=C(C)N=C1NC)C1=NN=N[N-]1	REAL250004606730	1	39	-1.0	-45.83	322.71	2.80	-43.03
CCCC(NC(=O)C1=CN2C=C(C)C=CC2=N1)C1=NN=N[N-]1	REAL250004606731	0	38	-1.0	-50.70	326.20	4.75	-45.95
CCCC(NC(=O)C1=CN2C=C(C)C=CC2=N1)C1=N[N-]N=N1	REAL250004606731	1	38	-1.0	-50.69	326.14	4.74	-45.95
CCCC(NC(=O)C1COC(=O)N1C)C1=N[N-]N=N1	REAL250004606732	0	34	-1.0	-52.04	290.26	0.58	-51.46
CCCC(NC(=O)C1COC(=O)N1C)C1=NN=N[N-]1	REAL250004606732	1	34	-1.0	-52.07	290.32	0.58	-51.49
CCCC(NC(=O)C1=NC=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004606733	0	35	-1.0	-51.55	301.68	4.17	-47.38
CCCC(NC(=O)C1=NC=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004606733	1	35	-1.0	-51.54	301.63	4.15	-47.39
CCCC(NC(=O)C1=C(C)C=C(C)S1)C1=N[N-]N=N1	REAL250004606734	0	35	-1.0	-45.79	305.18	4.09	-41.70
CCCC(NC(=O)C1=C(C)C=C(C)S1)C1=NN=N[N-]1	REAL250004606734	1	35	-1.0	-45.79	305.23	4.10	-41.69
CCCC(NC(=O)C1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004606736	0	38	-1.0	-52.26	325.86	3.61	-48.65
CCCC(NC(=O)C1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004606736	1	38	-1.0	-52.23	325.80	3.59	-48.64
CCCC(NC(=O)C1C(C)OC(C)C1C)C1=N[N-]N=N1	REAL250004606737	0	42	-1.0	-45.18	320.60	2.48	-42.70
CCCC(NC(=O)C1C(C)OC(C)C1C)C1=NN=N[N-]1	REAL250004606737	1	42	-1.0	-45.19	320.66	2.50	-42.69
CCCC(NC(=O)CN1CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004606738	0	37	-1.0	-56.61	321.70	1.25	-55.36
CCCC(NC(=O)CN1CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004606738	1	37	-1.0	-56.67	321.75	1.27	-55.40
CCCC(NC(=O)C1=COC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004606739	0	32	-1.0	-47.91	292.27	2.67	-45.24
CCCC(NC(=O)C1=COC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004606739	1	32	-1.0	-47.93	292.33	2.69	-45.24
CCCC(NC(=O)C1CC(C2CC2)C1)C1=N[N-]N=N1	REAL250004606740	0	39	-1.0	-46.83	318.27	4.78	-42.05
CCCC(NC(=O)C1CC(C2CC2)C1)C1=NN=N[N-]1	REAL250004606740	1	39	-1.0	-46.82	318.33	4.79	-42.03
CCCC(NC(=O)CCCCCCSC)C1=N[N-]N=N1	REAL250004606741	0	44	-1.0	-45.81	369.64	5.66	-40.15
CCCC(NC(=O)CCCCCCSC)C1=NN=N[N-]1	REAL250004606741	1	44	-1.0	-45.79	369.69	5.68	-40.11
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=N[N-]N=N1	REAL250004606742	0	36	-1.0	-44.99	317.57	4.60	-40.39
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=NN=N[N-]1	REAL250004606742	1	36	-1.0	-44.94	317.63	4.61	-40.33
CCCC(NC(=O)CC1C(=O)N=CNC1=O)C1=N[N-]N=N1	REAL250004606743	0	35	-1.0	-64.36	301.72	0.37	-63.99
CCCC(NC(=O)CC1C(=O)N=CNC1=O)C1=NN=N[N-]1	REAL250004606743	1	35	-1.0	-64.35	301.78	0.38	-63.97
CCCC(NC(=O)C(F)=C(C)C1CC1)C1=N[N-]N=N1	REAL250004606744	0	36	-1.0	-41.74	301.19	4.11	-37.63
CCCC(NC(=O)C(F)=C(C)C1CC1)C1=NN=N[N-]1	REAL250004606744	1	36	-1.0	-41.72	301.24	4.12	-37.60
CCCC(NC(=O)[C@@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004606745	0	33	-1.0	-51.02	281.27	-0.79	-51.81
CCCC(NC(=O)[C@@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004606745	1	33	-1.0	-51.03	281.33	-0.78	-51.81
CCCC(NC(=O)C1C(C)C1C1CC1)C1=N[N-]N=N1	REAL250004606747	0	39	-1.0	-44.72	316.02	4.95	-39.77
CCCC(NC(=O)C1C(C)C1C1CC1)C1=NN=N[N-]1	REAL250004606747	1	39	-1.0	-44.69	316.08	4.96	-39.73
CCCC(NC(=O)C1CCCC12CC2)C1=N[N-]N=N1	REAL250004606748	0	39	-1.0	-47.22	311.79	4.42	-42.80
CCCC(NC(=O)C1CCCC12CC2)C1=NN=N[N-]1	REAL250004606748	1	39	-1.0	-47.23	311.85	4.44	-42.79
CCCC(NC(=O)C1=CN=CC(OC)=C1C)C1=N[N-]N=N1	REAL250004606749	0	38	-1.0	-45.22	313.79	1.86	-43.36
CCCC(NC(=O)C1=CN=CC(OC)=C1C)C1=NN=N[N-]1	REAL250004606749	1	38	-1.0	-45.15	313.85	1.87	-43.28
CCCC(NC(=O)C1=CN(CCOC)N=C1)C1=NN=N[N-]1	REAL250004606750	0	39	-1.0	-46.51	334.58	1.30	-45.21
CCCC(NC(=O)C1=CN(CCOC)N=C1)C1=N[N-]N=N1	REAL250004606750	1	39	-1.0	-46.51	334.52	1.28	-45.23
CCCC(NC(=O)[C@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL250004606751	0	39	-1.0	-53.17	321.23	2.11	-51.06
CCCC(NC(=O)[C@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL250004606751	1	39	-1.0	-53.16	321.28	2.12	-51.04
CCCC(NC(=O)CC1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004606752	0	42	-1.0	-46.99	347.14	6.20	-40.79
CCCC(NC(=O)CC1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004606752	1	42	-1.0	-46.99	347.20	6.22	-40.77
CCCC(NC(=O)C1=NC=CC=C1OC)C1=NN=N[N-]1	REAL250004606753	0	35	-1.0	-53.01	299.08	2.48	-50.53
CCCC(NC(=O)C1=NC=CC=C1OC)C1=N[N-]N=N1	REAL250004606753	1	35	-1.0	-53.02	299.02	2.47	-50.55
CCCC(NC(=O)C1CC(C)OC1C)C1=N[N-]N=N1	REAL250004606754	0	39	-1.0	-44.34	310.66	2.06	-42.28
CCCC(NC(=O)C1CC(C)OC1C)C1=NN=N[N-]1	REAL250004606754	1	39	-1.0	-44.39	310.72	2.08	-42.31
CCCC(NC(=O)C1CC2CC1C1CC12)C1=N[N-]N=N1	REAL250004606755	0	40	-1.0	-46.47	308.33	4.68	-41.79
CCCC(NC(=O)C1CC2CC1C1CC12)C1=NN=N[N-]1	REAL250004606755	1	40	-1.0	-46.49	308.39	4.69	-41.80
CCCC(NC(=O)C1=CN(CC)N=C1C)C1=N[N-]N=N1	REAL250004606756	0	38	-1.0	-49.60	318.96	2.83	-46.77
CCCC(NC(=O)C1=CN(CC)N=C1C)C1=NN=N[N-]1	REAL250004606756	1	38	-1.0	-49.59	319.02	2.85	-46.74
CCCC(NC(=O)CC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL250004606757	0	35	-1.0	-49.96	314.78	2.82	-47.14
CCCC(NC(=O)CC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL250004606757	1	35	-1.0	-49.89	314.72	2.81	-47.08
CCCC(NC(=O)C1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004606758	0	37	-1.0	-53.34	315.43	4.03	-49.31
CCCC(NC(=O)C1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004606758	1	37	-1.0	-53.34	315.37	4.01	-49.33
CCCC(NC(=O)C1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004606759	0	34	-1.0	-44.87	301.67	2.69	-42.18
CCCC(NC(=O)C1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004606759	1	34	-1.0	-44.87	301.61	2.67	-42.20
CCCC(NC(=O)C1=C2N=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004606760	0	34	-1.0	-63.64	299.36	4.09	-59.55
CCCC(NC(=O)C1=C2N=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004606760	1	34	-1.0	-63.61	299.31	4.08	-59.53
CCCC(NC(=O)C(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004606761	0	39	-1.0	-45.48	335.64	5.23	-40.25
CCCC(NC(=O)C(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004606761	1	39	-1.0	-45.47	335.69	5.25	-40.22
CCCC(NC(=O)C(OCC)C1CCOC1)C1=N[N-]N=N1	REAL250004606762	0	43	-1.0	-51.35	335.05	2.55	-48.80
CCCC(NC(=O)C(OCC)C1CCOC1)C1=NN=N[N-]1	REAL250004606762	1	43	-1.0	-51.31	335.11	2.56	-48.75
CCCC(NC(=O)C(C)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004606763	0	46	-1.0	-45.11	334.02	4.51	-40.60
CCCC(NC(=O)C(C)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004606763	1	46	-1.0	-45.12	334.07	4.52	-40.60
CCCC(NC(=O)C=CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606764	0	42	-1.0	-46.00	354.98	6.49	-39.51
CCCC(NC(=O)C=CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606764	1	42	-1.0	-46.02	355.03	6.51	-39.51
CCCC(NC(=O)C1=NC=C(OC)C=C1F)C1=NN=N[N-]1	REAL250004606765	0	35	-1.0	-49.27	305.63	1.28	-47.99
CCCC(NC(=O)C1=NC=C(OC)C=C1F)C1=N[N-]N=N1	REAL250004606765	1	35	-1.0	-49.26	305.57	1.26	-48.00
CCCC(NC(=O)C(C)CN1C=CC(C)=N1)C1=N[N-]N=N1	REAL250004606766	0	41	-1.0	-45.73	337.21	3.67	-42.06
CCCC(NC(=O)C(C)CN1C=CC(C)=N1)C1=NN=N[N-]1	REAL250004606766	1	41	-1.0	-45.78	337.26	3.69	-42.09
CCCC(NC(=O)C1=CC(C)=CN=C1F)C1=NN=N[N-]1	REAL250004606767	0	34	-1.0	-51.49	295.36	2.47	-49.02
CCCC(NC(=O)C1=CC(C)=CN=C1F)C1=N[N-]N=N1	REAL250004606767	1	34	-1.0	-51.47	295.30	2.46	-49.01
CCCC(NC(=O)C1=CN=C(F)C=C1C)C1=N[N-]N=N1	REAL250004606768	0	34	-1.0	-42.14	291.98	2.47	-39.67
CCCC(NC(=O)C1=CN=C(F)C=C1C)C1=NN=N[N-]1	REAL250004606768	1	34	-1.0	-42.19	292.04	2.48	-39.71
CCCC(NC(=O)C1=CSN=C1OC)C1=NN=N[N-]1	REAL250004606769	0	32	-1.0	-49.49	290.84	0.49	-49.00
CCCC(NC(=O)C1=CSN=C1OC)C1=N[N-]N=N1	REAL250004606769	1	32	-1.0	-49.46	290.78	0.48	-48.98
CCCC(NC(=O)C=CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004606770	0	37	-1.0	-47.83	319.86	1.96	-45.87
CCCC(NC(=O)C=CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004606770	1	37	-1.0	-47.85	319.92	1.97	-45.88
CCCC(NC(=O)C1CC12CC(OCC)C2)C1=N[N-]N=N1	REAL250004606771	0	43	-1.0	-48.23	351.98	3.99	-44.24
CCCC(NC(=O)C1CC12CC(OCC)C2)C1=NN=N[N-]1	REAL250004606771	1	43	-1.0	-48.27	352.04	4.00	-44.27
CCCC(NC(=O)C1=COC(C#N)=C1)C1=N[N-]N=N1	REAL250004606772	0	30	-1.0	-46.25	278.43	2.11	-44.14
CCCC(NC(=O)C1=COC(C#N)=C1)C1=NN=N[N-]1	REAL250004606772	1	30	-1.0	-46.25	278.49	2.13	-44.12
CCCC(NC(=O)C1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004606773	0	32	-1.0	-46.61	292.74	1.56	-45.05
CCCC(NC(=O)C1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004606773	1	32	-1.0	-46.57	292.68	1.54	-45.03
CCCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL250004606774	0	38	-1.0	-45.31	331.26	4.98	-40.33
CCCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL250004606774	1	38	-1.0	-45.27	331.31	5.00	-40.27
CCCC(NC(=O)CCCCCOCC)C1=N[N-]N=N1	REAL250004606775	0	44	-1.0	-47.35	358.93	3.68	-43.67
CCCC(NC(=O)CCCCCOCC)C1=NN=N[N-]1	REAL250004606775	1	44	-1.0	-47.33	358.99	3.69	-43.64
CCCC(NC(=O)C1=NC=C2CCCCN21)C1=NN=N[N-]1	REAL250004606776	0	39	-1.0	-47.53	318.49	3.71	-43.82
CCCC(NC(=O)C1=NC=C2CCCCN21)C1=N[N-]N=N1	REAL250004606776	1	39	-1.0	-47.54	318.43	3.70	-43.84
CCCC(NC(=O)C1=NC=CC=C1N)C1=NN=N[N-]1	REAL250004606777	0	33	-1.0	-46.27	281.88	0.15	-46.12
CCCC(NC(=O)C1=NC=CC=C1N)C1=N[N-]N=N1	REAL250004606777	1	33	-1.0	-46.24	281.83	0.13	-46.11
CCCC(NC(=O)C1=NOC=C1C)C1=NN=N[N-]1	REAL250004606778	0	31	-1.0	-46.81	271.89	1.57	-45.24
CCCC(NC(=O)C1=NOC=C1C)C1=N[N-]N=N1	REAL250004606778	1	31	-1.0	-46.77	271.83	1.55	-45.22
CCCC(NC(=O)C1CCC12CCOCC2)C1=N[N-]N=N1	REAL250004606779	0	43	-1.0	-44.35	325.32	3.03	-41.32
CCCC(NC(=O)C1CCC12CCOCC2)C1=NN=N[N-]1	REAL250004606779	1	43	-1.0	-44.36	325.37	3.04	-41.32
CCCC(NC(=O)C1=CN2C=CN=C2N=C1)C1=NN=N[N-]1	REAL250004606780	0	34	-1.0	-46.65	295.88	4.76	-41.89
CCCC(NC(=O)C1=CN2C=CN=C2N=C1)C1=N[N-]N=N1	REAL250004606780	1	34	-1.0	-46.66	295.82	4.75	-41.91
CCCC(NC(=O)C(OCC)C1CCCC1)C1=N[N-]N=N1	REAL250004606781	0	45	-1.0	-49.40	356.59	5.06	-44.34
CCCC(NC(=O)C(OCC)C1CCCC1)C1=NN=N[N-]1	REAL250004606781	1	45	-1.0	-49.38	356.65	5.07	-44.31
CCCC(NC(=O)C1CC1C1CC1C)C1=N[N-]N=N1	REAL250004606782	0	39	-1.0	-45.65	318.52	4.78	-40.87
CCCC(NC(=O)C1CC1C1CC1C)C1=NN=N[N-]1	REAL250004606782	1	39	-1.0	-45.61	318.58	4.80	-40.81
CCCC(NC(=O)C1=C(C)N(CC)N=C1)C1=N[N-]N=N1	REAL250004606783	0	38	-1.0	-47.01	316.68	2.72	-44.29
CCCC(NC(=O)C1=C(C)N(CC)N=C1)C1=NN=N[N-]1	REAL250004606783	1	38	-1.0	-47.08	316.74	2.73	-44.35
CCCC(NC(=O)C1CCCCN1C)C1=N[N-]N=N1	REAL250004606785	0	40	-1.0	-45.61	313.48	1.42	-44.19
CCCC(NC(=O)C1CCCCN1C)C1=NN=N[N-]1	REAL250004606785	1	40	-1.0	-45.59	313.54	1.44	-44.15
CCCC(NC(=O)C1(Cl)CC2CCC1O2)C1=N[N-]N=N1	REAL250004606786	0	37	-1.0	-46.43	309.11	2.12	-44.31
CCCC(NC(=O)C1(Cl)CC2CCC1O2)C1=NN=N[N-]1	REAL250004606786	1	37	-1.0	-46.42	309.17	2.13	-44.29
CCCC(NC(=O)C1CC2(CSC2)C1)C1=N[N-]N=N1	REAL250004606787	0	37	-1.0	-46.54	314.32	4.07	-42.47
CCCC(NC(=O)C1CC2(CSC2)C1)C1=NN=N[N-]1	REAL250004606787	1	37	-1.0	-46.54	314.38	4.08	-42.46
CCCC(NC(=O)C1=CN(CC2CC2)N=C1)C1=NN=N[N-]1	REAL250004606788	0	39	-1.0	-47.02	332.20	3.81	-43.21
CCCC(NC(=O)C1=CN(CC2CC2)N=C1)C1=N[N-]N=N1	REAL250004606788	1	39	-1.0	-46.99	332.15	3.80	-43.19
CCCC(NC(=O)C1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL250004606789	0	33	-1.0	-54.20	291.90	2.52	-51.68
CCCC(NC(=O)C1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL250004606789	1	33	-1.0	-54.26	291.84	2.50	-51.76
CCCC(NC(=O)CCCC1(C)N=N1)C1=N[N-]N=N1	REAL250004606790	0	37	-1.0	-51.01	314.07	-1.27	-52.28
CCCC(NC(=O)CCCC1(C)N=N1)C1=NN=N[N-]1	REAL250004606790	1	37	-1.0	-50.95	314.13	-1.25	-52.20
C=CC(C(=O)NC(CCC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004606791	0	39	-1.0	-45.36	329.67	5.40	-39.96
C=CC(C(=O)NC(CCC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004606791	1	39	-1.0	-45.34	329.73	5.41	-39.93
CCCC(NC(=O)C1CCCN2N=CN=C12)C1=N[N-]N=N1	REAL250004606792	0	38	-1.0	-50.68	313.04	3.82	-46.86
CCCC(NC(=O)C1CCCN2N=CN=C12)C1=NN=N[N-]1	REAL250004606792	1	38	-1.0	-50.70	313.10	3.83	-46.87
CCCC(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004606793	0	36	-1.0	-45.51	307.76	1.37	-44.14
CCCC(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004606793	1	36	-1.0	-45.50	307.82	1.39	-44.11
CCCC(NC(=O)C1=CC=CN2N=CN=C12)C1=NN=N[N-]1	REAL250004606794	0	34	-1.0	-51.48	295.45	4.64	-46.84
CCCC(NC(=O)C1=CC=CN2N=CN=C12)C1=N[N-]N=N1	REAL250004606794	1	34	-1.0	-51.47	295.39	4.62	-46.85
CCCC(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=N[N-]N=N1	REAL250004606795	0	40	-1.0	-47.88	306.50	3.62	-44.26
CCCC(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=NN=N[N-]1	REAL250004606795	1	40	-1.0	-47.83	306.56	3.63	-44.20
CCCC(NC(=O)C1=NC=CN=C1SC)C1=NN=N[N-]1	REAL250004606796	0	34	-1.0	-48.54	304.83	1.31	-47.23
CCCC(NC(=O)C1=NC=CN=C1SC)C1=N[N-]N=N1	REAL250004606796	1	34	-1.0	-48.49	304.77	1.29	-47.20
CCCC(NC(=O)C1=CC=C(NC)C=N1)C1=NN=N[N-]1	REAL250004606797	0	36	-1.0	-49.03	306.52	0.71	-48.32
CCCC(NC(=O)C1=CC=C(NC)C=N1)C1=N[N-]N=N1	REAL250004606797	1	36	-1.0	-49.08	306.46	0.69	-48.39
CCCC(NC(=O)CC1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004606798	0	39	-1.0	-57.87	318.97	3.27	-54.60
CCCC(NC(=O)CC1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004606798	1	39	-1.0	-57.87	319.03	3.28	-54.59
CCCC(NC(=O)CC1=C(C)C=C(C)S1)C1=N[N-]N=N1	REAL250004606799	0	38	-1.0	-47.46	329.43	4.76	-42.70
CCCC(NC(=O)CC1=C(C)C=C(C)S1)C1=NN=N[N-]1	REAL250004606799	1	38	-1.0	-47.48	329.48	4.78	-42.70
CCCC(NC(=O)CC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004606800	0	34	-1.0	-52.70	298.79	2.75	-49.95
CCCC(NC(=O)CC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004606800	1	34	-1.0	-52.70	298.85	2.76	-49.94
CCCC(NC(=O)C1=CC(C)=CN=C1Cl)C1=NN=N[N-]1	REAL250004606801	0	34	-1.0	-48.41	303.47	2.95	-45.46
CCCC(NC(=O)C1=CC(C)=CN=C1Cl)C1=N[N-]N=N1	REAL250004606801	1	34	-1.0	-48.39	303.41	2.93	-45.46
CCCC(NC(=O)C=CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004606802	0	36	-1.0	-49.92	314.35	4.84	-45.08
CCCC(NC(=O)C=CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004606802	1	36	-1.0	-49.93	314.41	4.86	-45.07
CCCC(NC(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004606803	0	36	-1.0	-45.38	315.24	4.87	-40.51
CCCC(NC(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004606803	1	36	-1.0	-45.37	315.29	4.89	-40.48
CCCC(NC(=O)C1=CC=C(Cl)C=C1N)C1=N[N-]N=N1	REAL250004606804	0	34	-1.0	-42.28	300.80	2.35	-39.93
CCCC(NC(=O)C1=CC=C(Cl)C=C1N)C1=NN=N[N-]1	REAL250004606804	1	34	-1.0	-42.30	300.85	2.37	-39.93
CCCC(NC(=O)C1=CC=C(F)C=C1N)C1=N[N-]N=N1	REAL250004606805	0	34	-1.0	-42.36	290.48	1.90	-40.46
CCCC(NC(=O)C1=CC=C(F)C=C1N)C1=NN=N[N-]1	REAL250004606805	1	34	-1.0	-42.34	290.53	1.92	-40.42
CCCC(NC(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL250004606806	0	34	-1.0	-43.67	302.37	1.43	-42.24
CCCC(NC(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL250004606806	1	34	-1.0	-43.69	302.42	1.44	-42.25
CCCC(NC(=O)C1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL250004606807	0	34	-1.0	-49.34	300.49	1.61	-47.73
CCCC(NC(=O)C1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL250004606807	1	34	-1.0	-49.35	300.55	1.63	-47.72
CCCC(NC(=O)C1=CC=CN2N=CC=C12)C1=NN=N[N-]1	REAL250004606808	0	35	-1.0	-52.50	299.94	3.45	-49.05
CCCC(NC(=O)C1=CC=CN2N=CC=C12)C1=N[N-]N=N1	REAL250004606808	1	35	-1.0	-52.46	299.88	3.43	-49.03
CCCC(NC(=O)CCNC(=O)CO)C1=N[N-]N=N1	REAL250004606809	0	36	-1.0	-59.51	310.48	-2.48	-61.99
CCCC(NC(=O)CCNC(=O)CO)C1=NN=N[N-]1	REAL250004606809	1	36	-1.0	-59.52	310.54	-2.47	-61.99
CCCC(NC(=O)CNC(=O)N1CCCC1)C1=N[N-]N=N1	REAL250004606810	0	41	-1.0	-45.67	337.30	1.00	-44.67
CCCC(NC(=O)CNC(=O)N1CCCC1)C1=NN=N[N-]1	REAL250004606810	1	41	-1.0	-45.70	337.35	1.01	-44.69
CCCC(NC(=O)CC1CCNC1=O)C1=N[N-]N=N1	REAL250004606811	0	36	-1.0	-62.10	297.91	0.93	-61.17
CCCC(NC(=O)CC1CCNC1=O)C1=NN=N[N-]1	REAL250004606811	1	36	-1.0	-62.11	297.97	0.95	-61.16
CCCC(NC(=O)C1=CN=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004606812	0	35	-1.0	-49.61	300.33	1.77	-47.84
CCCC(NC(=O)C1=CN=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004606812	1	35	-1.0	-49.63	300.27	1.75	-47.88
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1)C1=N[N-]N=N1	REAL250004606813	0	36	-1.0	-48.47	308.27	1.40	-47.07
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1)C1=NN=N[N-]1	REAL250004606813	1	36	-1.0	-48.46	308.33	1.42	-47.04
CCCC(NC(=O)C(C)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004606814	0	39	-1.0	-48.04	325.87	1.98	-46.06
CCCC(NC(=O)C(C)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004606814	1	39	-1.0	-48.03	325.93	2.00	-46.03
CCCC(NC(=O)CC1=NN=C(N)S1)C1=N[N-]N=N1	REAL250004606815	0	32	-1.0	-49.19	294.34	-0.46	-49.65
CCCC(NC(=O)CC1=NN=C(N)S1)C1=NN=N[N-]1	REAL250004606815	1	32	-1.0	-49.21	294.40	-0.45	-49.66
CCCC(NC(=O)C1=CC=NC(N)=C1)C1=N[N-]N=N1	REAL250004606816	0	33	-1.0	-46.05	284.65	0.61	-45.44
CCCC(NC(=O)C1=CC=NC(N)=C1)C1=NN=N[N-]1	REAL250004606816	1	33	-1.0	-46.07	284.71	0.62	-45.45
CCCC(CC)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606817	0	40	-1.0	-45.40	313.94	3.90	-41.50
CCCC(CC)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606817	1	40	-1.0	-45.42	313.99	3.92	-41.50
CCCC(NC(=O)C1C2(CC2)C12CC2)C1=N[N-]N=N1	REAL250004606818	0	37	-1.0	-46.43	314.36	5.04	-41.39
CCCC(NC(=O)C1C2(CC2)C12CC2)C1=NN=N[N-]1	REAL250004606818	1	37	-1.0	-46.42	314.42	5.05	-41.37
CCCC(NC(=O)C(C(=O)OCC)C(C)C)C1=N[N-]N=N1	REAL250004606819	0	43	-1.0	-52.95	346.30	5.03	-47.92
CCCC(NC(=O)C(C(=O)OCC)C(C)C)C1=NN=N[N-]1	REAL250004606819	1	43	-1.0	-52.93	346.36	5.05	-47.88
CCCC(NC(=O)CC1CCC(C)(C)CO1)C1=N[N-]N=N1	REAL250004606820	0	45	-1.0	-49.36	349.81	4.30	-45.06
CCCC(NC(=O)CC1CCC(C)(C)CO1)C1=NN=N[N-]1	REAL250004606820	1	45	-1.0	-49.40	349.87	4.32	-45.08
CCCC(NC(=O)CC(C)(C)CC(F)F)C1=N[N-]N=N1	REAL250004606821	0	40	-1.0	-46.27	316.66	3.92	-42.35
CCCC(NC(=O)CC(C)(C)CC(F)F)C1=NN=N[N-]1	REAL250004606821	1	40	-1.0	-46.28	316.72	3.94	-42.34
CCCC(NC(=O)C1CCC=CCC1)C1=N[N-]N=N1	REAL250004606822	0	39	-1.0	-44.65	305.83	4.34	-40.31
CCCC(NC(=O)C1CCC=CCC1)C1=NN=N[N-]1	REAL250004606822	1	39	-1.0	-44.66	305.88	4.35	-40.31
CCCC(NC(=O)C1=C(C)N(CC)C=C1)C1=N[N-]N=N1	REAL250004606823	0	39	-1.0	-49.46	321.14	4.56	-44.90
CCCC(NC(=O)C1=C(C)N(CC)C=C1)C1=NN=N[N-]1	REAL250004606823	1	39	-1.0	-49.46	321.20	4.58	-44.88
CCCC(NC(=O)[C@@H]1CCC(=O)N1C(C)C)C1=N[N-]N=N1	REAL250004606824	0	42	-1.0	-49.61	333.48	2.78	-46.83
CCCC(NC(=O)[C@@H]1CCC(=O)N1C(C)C)C1=NN=N[N-]1	REAL250004606824	1	42	-1.0	-49.59	333.54	2.79	-46.80
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004606825	0	38	-1.0	-51.51	313.15	2.96	-48.55
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004606825	1	38	-1.0	-51.47	313.21	2.98	-48.49
CCCC(NC(=O)C=CC1=CSC=C1)C1=N[N-]N=N1	REAL250004606826	0	33	-1.0	-46.15	298.92	3.79	-42.36
CCCC(NC(=O)C=CC1=CSC=C1)C1=NN=N[N-]1	REAL250004606826	1	33	-1.0	-46.14	298.97	3.80	-42.34
CCCC(NC(=O)CC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004606827	0	34	-1.0	-52.05	309.14	3.17	-48.88
CCCC(NC(=O)CC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004606827	1	34	-1.0	-52.07	309.20	3.18	-48.89
CCCC(NC(=O)C1=CC(CC)=NN1C)C1=N[N-]N=N1	REAL250004606828	0	38	-1.0	-44.41	318.22	2.69	-41.72
CCCC(NC(=O)C1=CC(CC)=NN1C)C1=NN=N[N-]1	REAL250004606828	1	38	-1.0	-44.40	318.27	2.71	-41.69
CCCC(NC(=O)C1=COC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004606829	0	40	-1.0	-45.20	337.12	0.88	-44.32
CCCC(NC(=O)C1=COC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004606829	1	40	-1.0	-45.18	337.06	0.87	-44.31
CCCC(NC(=O)C1=CC(N)=CC=N1)C1=N[N-]N=N1	REAL250004606830	0	33	-1.0	-48.13	286.62	-0.22	-48.35
CCCC(NC(=O)C1=CC(N)=CC=N1)C1=NN=N[N-]1	REAL250004606830	1	33	-1.0	-48.14	286.68	-0.20	-48.34
CCCC(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004606831	0	39	-1.0	-46.02	323.42	5.12	-40.90
CCCC(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004606831	1	39	-1.0	-46.03	323.48	5.13	-40.90
C=CC(C)(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606832	0	38	-1.0	-43.30	300.77	3.60	-39.70
C=CC(C)(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606832	1	38	-1.0	-43.30	300.82	3.61	-39.69
CCCC(NC(=O)CCC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004606833	0	45	-1.0	-44.51	357.30	3.53	-40.98
CCCC(NC(=O)CCC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004606833	1	45	-1.0	-44.50	357.35	3.54	-40.96
CCCC(NC(=O)C12CC(C(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL250004606834	0	45	-1.0	-45.63	359.82	5.66	-39.97
CCCC(NC(=O)C12CC(C(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL250004606834	1	45	-1.0	-45.64	359.88	5.68	-39.96
CCCC(NC(=O)C1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL250004606835	0	39	-1.0	-50.70	321.62	3.78	-46.92
CCCC(NC(=O)C1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL250004606835	1	39	-1.0	-50.72	321.68	3.79	-46.93
CCCC(NC(=O)COC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606836	0	35	-1.0	-49.43	305.39	1.64	-47.79
CCCC(NC(=O)COC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606836	1	35	-1.0	-49.40	305.33	1.62	-47.78
CCCC(NC(=O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL250004606837	0	37	-1.0	-53.99	309.22	4.38	-49.61
CCCC(NC(=O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL250004606837	1	37	-1.0	-54.02	309.28	4.40	-49.62
CCCC(NC(=O)C1=CC(=O)C=CN1)C1=N[N-]N=N1	REAL250004606838	0	32	-1.0	-54.76	279.21	1.37	-53.39
CCCC(NC(=O)C1=CC(=O)C=CN1)C1=NN=N[N-]1	REAL250004606838	1	32	-1.0	-54.74	279.27	1.38	-53.36
CCCC(NC(=O)C1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004606839	0	31	-1.0	-41.06	291.95	2.29	-38.77
CCCC(NC(=O)C1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004606839	1	31	-1.0	-41.03	291.90	2.27	-38.76
CCCC(NC(=O)C1=CC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL250004606840	0	39	-1.0	-44.31	326.84	3.44	-40.87
CCCC(NC(=O)C1=CC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL250004606840	1	39	-1.0	-44.31	326.90	3.45	-40.86
CCCC(NC(=O)C1=CSN=C1)C1=NN=N[N-]1	REAL250004606841	0	28	-1.0	-44.51	260.26	1.27	-43.24
CCCC(NC(=O)C1=CSN=C1)C1=N[N-]N=N1	REAL250004606841	1	28	-1.0	-44.52	260.20	1.25	-43.27
CCCC(NC(=O)C1=CN(C)C=C1C)C1=N[N-]N=N1	REAL250004606842	0	36	-1.0	-52.37	302.80	3.90	-48.47
CCCC(NC(=O)C1=CN(C)C=C1C)C1=NN=N[N-]1	REAL250004606842	1	36	-1.0	-52.36	302.86	3.91	-48.45
CCCC(NC(=O)C1=CC=NC(OC)=N1)C1=NN=N[N-]1	REAL250004606843	0	34	-1.0	-45.31	298.77	-1.52	-46.83
CCCC(NC(=O)C1=CC=NC(OC)=N1)C1=N[N-]N=N1	REAL250004606843	1	34	-1.0	-45.31	298.72	-1.54	-46.85
CCCC(NC(=O)C1=CN(C2CCC2)N=C1)C1=NN=N[N-]1	REAL250004606844	0	39	-1.0	-46.53	324.70	3.35	-43.18
CCCC(NC(=O)C1=CN(C2CCC2)N=C1)C1=N[N-]N=N1	REAL250004606844	1	39	-1.0	-46.55	324.64	3.34	-43.21
CCCC(NC(=O)C1=CC=C(F)O1)C1=N[N-]N=N1	REAL250004606845	0	29	-1.0	-41.43	264.95	1.76	-39.67
CCCC(NC(=O)C1=CC=C(F)O1)C1=NN=N[N-]1	REAL250004606845	1	29	-1.0	-41.45	265.01	1.77	-39.68
CCCC(NC(=O)C1=CC=NN1C1CCC1)C1=NN=N[N-]1	REAL250004606846	0	39	-1.0	-44.30	320.18	3.66	-40.64
CCCC(NC(=O)C1=CC=NN1C1CCC1)C1=N[N-]N=N1	REAL250004606846	1	39	-1.0	-44.26	320.13	3.65	-40.61
CCCC(NC(=O)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004606847	0	33	-1.0	-44.49	299.97	2.60	-41.89
CCCC(NC(=O)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004606847	1	33	-1.0	-44.48	300.03	2.62	-41.86
CCCC(NC(=O)C1CC(C)CO1)C1=N[N-]N=N1	REAL250004606848	0	36	-1.0	-49.09	295.56	2.51	-46.58
CCCC(NC(=O)C1CC(C)CO1)C1=NN=N[N-]1	REAL250004606848	1	36	-1.0	-49.12	295.62	2.52	-46.60
CCCC(NC(=O)C1CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004606849	0	40	-1.0	-48.43	315.24	4.47	-43.96
CCCC(NC(=O)C1CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004606849	1	40	-1.0	-48.45	315.29	4.49	-43.96
CCCC(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004606850	0	40	-1.0	-44.97	323.69	3.08	-41.89
CCCC(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004606850	1	40	-1.0	-44.98	323.75	3.10	-41.88
CCCC(NC(=O)CCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004606851	0	39	-1.0	-45.72	331.35	2.25	-43.47
CCCC(NC(=O)CCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004606851	1	39	-1.0	-45.70	331.40	2.26	-43.44
CCCC(NC(=O)C1=CC=CC(O)=C1F)C1=N[N-]N=N1	REAL250004606852	0	33	-1.0	-53.14	289.68	0.85	-52.29
CCCC(NC(=O)C1=CC=CC(O)=C1F)C1=NN=N[N-]1	REAL250004606852	1	33	-1.0	-53.13	289.73	0.87	-52.26
CCCC(NC(=O)CC1=CC=C(O)C=C1C)C1=N[N-]N=N1	REAL250004606853	0	39	-1.0	-46.78	326.70	1.93	-44.85
CCCC(NC(=O)CC1=CC=C(O)C=C1C)C1=NN=N[N-]1	REAL250004606853	1	39	-1.0	-46.79	326.76	1.94	-44.85
CCCC(NC(=O)C1CCC(Cl)CC1)C1=N[N-]N=N1	REAL250004606854	0	38	-1.0	-43.98	316.66	4.39	-39.59
CCCC(NC(=O)C1CCC(Cl)CC1)C1=NN=N[N-]1	REAL250004606854	1	38	-1.0	-43.98	316.71	4.41	-39.57
CCCC(NC(=O)C=C[C@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004606855	0	41	-1.0	-46.99	342.44	2.29	-44.70
CCCC(NC(=O)C=C[C@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004606855	1	41	-1.0	-47.02	342.50	2.30	-44.72
CCCC(NC(=O)C1=CS(=O)CCC1)C1=N[N-]N=N1	REAL250004606856	0	35	-1.0	-54.82	298.80	0.92	-53.90
CCCC(NC(=O)C1=CS(=O)CCC1)C1=NN=N[N-]1	REAL250004606856	1	35	-1.0	-54.85	298.86	0.94	-53.91
CCCC(NC(=O)C1CCCC(=O)N1C)C1=N[N-]N=N1	REAL250004606857	0	39	-1.0	-48.13	314.23	1.82	-46.31
CCCC(NC(=O)C1CCCC(=O)N1C)C1=NN=N[N-]1	REAL250004606857	1	39	-1.0	-48.15	314.29	1.83	-46.32
CCCC(NC(=O)C1CCN1CC)C1=N[N-]N=N1	REAL250004606858	0	37	-1.0	-48.45	302.35	0.00	-48.45
CCCC(NC(=O)C1CCN1CC)C1=NN=N[N-]1	REAL250004606858	1	37	-1.0	-48.45	302.41	0.01	-48.44
CCCC(NC(=O)COC1=NSC=C1)C1=NN=N[N-]1	REAL250004606859	0	32	-1.0	-47.68	295.16	0.67	-47.01
CCCC(NC(=O)COC1=NSC=C1)C1=N[N-]N=N1	REAL250004606859	1	32	-1.0	-47.68	295.11	0.65	-47.03
CCCC(NC(=O)C1=NOC(CC)=C1)C1=N[N-]N=N1	REAL250004606860	0	34	-1.0	-44.83	296.42	2.49	-42.34
CCCC(NC(=O)C1=NOC(CC)=C1)C1=NN=N[N-]1	REAL250004606860	1	34	-1.0	-44.84	296.48	2.51	-42.33
CCCC(NC(=O)C1=NN(CC(C)C)C=C1)C1=NN=N[N-]1	REAL250004606861	0	41	-1.0	-50.23	338.46	3.85	-46.38
CCCC(NC(=O)C1=NN(CC(C)C)C=C1)C1=N[N-]N=N1	REAL250004606861	1	41	-1.0	-50.28	338.40	3.83	-46.45
CCCC(NC(=O)CC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004606862	0	42	-1.0	-50.42	335.41	3.13	-47.29
CCCC(NC(=O)CC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004606862	1	42	-1.0	-50.46	335.47	3.15	-47.31
CCCC(NC(=O)CCN1CCC(F)C1)C1=N[N-]N=N1	REAL250004606863	1	40	-1.0	-46.66	325.98	1.42	-45.24
CCCC(NC(=O)CCN1CCC(F)C1)C1=NN=N[N-]1	REAL250004606863	1	40	-1.0	-46.65	326.04	1.43	-45.22
CCCC(NC(=O)C1=CC=NC(CO)=C1)C1=N[N-]N=N1	REAL250004606864	0	35	-1.0	-49.32	300.27	-0.71	-50.03
CCCC(NC(=O)C1=CC=NC(CO)=C1)C1=NN=N[N-]1	REAL250004606864	1	35	-1.0	-49.33	300.33	-0.70	-50.03
CCCC(NC(=O)C1=NC=CC(C)=C1O)C1=N[N-]N=N1	REAL250004606865	0	35	-1.0	-50.50	300.68	1.13	-49.37
CCCC(NC(=O)C1=NC=CC(C)=C1O)C1=NN=N[N-]1	REAL250004606865	1	35	-1.0	-50.54	300.74	1.15	-49.39
CCCC(NC(=O)C1=CC=C(CN(C)C)O1)C1=N[N-]N=N1	REAL250004606866	0	40	-1.0	-45.48	336.62	1.37	-44.11
CCCC(NC(=O)C1=CC=C(CN(C)C)O1)C1=NN=N[N-]1	REAL250004606866	1	40	-1.0	-45.45	336.68	1.39	-44.06
CCCC(NC(=O)CCCCCO)C1=N[N-]N=N1	REAL250004606870	0	38	-1.0	-48.31	314.82	0.31	-48.00
CCCC(NC(=O)CCCCCO)C1=NN=N[N-]1	REAL250004606870	1	38	-1.0	-48.36	314.88	0.32	-48.04
CCCCC(O)CCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606871	0	44	-1.0	-44.53	355.98	1.96	-42.57
CCCCC(O)CCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606871	1	44	-1.0	-44.54	356.04	1.97	-42.57
CCCC(NC(=O)CC1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004606872	0	43	-1.0	-49.66	343.08	4.35	-45.31
CCCC(NC(=O)CC1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004606872	1	43	-1.0	-49.60	343.14	4.36	-45.24
C=C1CCC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1	REAL250004606873	0	39	-1.0	-44.61	312.42	4.30	-40.31
C=C1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL250004606873	1	39	-1.0	-44.61	312.47	4.31	-40.30
CCCC(NC(=O)C1CCOC2(CCC2)C1)C1=N[N-]N=N1	REAL250004606874	0	43	-1.0	-46.91	335.79	3.32	-43.59
CCCC(NC(=O)C1CCOC2(CCC2)C1)C1=NN=N[N-]1	REAL250004606874	1	43	-1.0	-46.92	335.85	3.34	-43.58
CCCC(NC(=O)C1CCC=CCCC1)C1=N[N-]N=N1	REAL250004606875	0	42	-1.0	-44.09	318.90	4.70	-39.39
CCCC(NC(=O)C1CCC=CCCC1)C1=NN=N[N-]1	REAL250004606875	1	42	-1.0	-44.10	318.95	4.73	-39.37
CCCC(NC(=O)C1=C2CCCC2=NN1C)C1=N[N-]N=N1	REAL250004606876	0	39	-1.0	-44.53	325.00	3.12	-41.41
CCCC(NC(=O)C1=C2CCCC2=NN1C)C1=NN=N[N-]1	REAL250004606876	1	39	-1.0	-44.50	325.06	3.14	-41.36
CCCC(NC(=O)C1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL250004606877	0	36	-1.0	-45.46	306.02	3.03	-42.43
CCCC(NC(=O)C1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL250004606877	1	36	-1.0	-45.44	305.96	3.02	-42.42
CCCC(NC(=O)C1=CC(F)=NC=C1C)C1=NN=N[N-]1	REAL250004606878	0	34	-1.0	-42.09	292.20	2.48	-39.61
CCCC(NC(=O)C1=CC(F)=NC=C1C)C1=N[N-]N=N1	REAL250004606878	1	34	-1.0	-42.07	292.14	2.46	-39.61
CCCC(NC(=O)C(C)C1CCCO1)C1=N[N-]N=N1	REAL250004606879	0	39	-1.0	-49.55	311.11	3.09	-46.46
CCCC(NC(=O)C(C)C1CCCO1)C1=NN=N[N-]1	REAL250004606879	1	39	-1.0	-49.52	311.17	3.11	-46.41
CCCC(NC(=O)C1CC2(C1)CC(F)(F)C2)C1=N[N-]N=N1	REAL250004606880	0	39	-1.0	-44.38	327.73	4.64	-39.74
CCCC(NC(=O)C1CC2(C1)CC(F)(F)C2)C1=NN=N[N-]1	REAL250004606880	1	39	-1.0	-44.41	327.79	4.65	-39.76
CCCC(NC(=O)CN1N=NC(N)=N1)C1=NN=N[N-]1	REAL250004606881	0	32	-1.0	-51.91	285.61	0.03	-51.88
CCCC(NC(=O)CN1N=NC(N)=N1)C1=N[N-]N=N1	REAL250004606881	1	32	-1.0	-51.91	285.55	0.01	-51.90
CCCC(NC(=O)CC1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL250004606882	0	37	-1.0	-47.81	325.17	2.79	-45.02
CCCC(NC(=O)CC1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL250004606882	1	37	-1.0	-47.82	325.22	2.81	-45.01
CCCC(NC(=O)COCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004606883	0	38	-1.0	-49.98	326.16	2.99	-46.99
CCCC(NC(=O)COCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004606883	1	38	-1.0	-49.98	326.22	3.00	-46.98
CCCC(NC(=O)C1=CC=NS1)C1=NN=N[N-]1	REAL250004606884	0	28	-1.0	-43.09	261.57	1.27	-41.82
CCCC(NC(=O)C1=CC=NS1)C1=N[N-]N=N1	REAL250004606884	1	28	-1.0	-43.11	261.51	1.26	-41.85
CCCC(NC(=O)C1=CC(Cl)=CN1CC)C1=N[N-]N=N1	REAL250004606885	0	36	-1.0	-44.37	318.13	4.46	-39.91
CCCC(NC(=O)C1=CC(Cl)=CN1CC)C1=NN=N[N-]1	REAL250004606885	1	36	-1.0	-44.35	318.19	4.47	-39.88
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OCC)C1=N[N-]N=N1	REAL250004606886	0	41	-1.0	-55.88	334.04	4.10	-51.78
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OCC)C1=NN=N[N-]1	REAL250004606886	1	41	-1.0	-56.35	334.53	4.52	-51.83
CCCC(NC(=O)[C@H]1C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004606887	0	35	-1.0	-51.00	304.33	2.75	-48.25
CCCC(NC(=O)[C@H]1C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004606887	1	35	-1.0	-50.99	304.38	2.76	-48.23
CCCC(NC(=O)CC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004606888	0	31	-1.0	-52.88	283.10	2.52	-50.36
CCCC(NC(=O)CC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004606888	1	31	-1.0	-52.85	283.15	2.53	-50.32
CCCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=N[N-]N=N1	REAL250004606889	0	39	-1.0	-55.97	318.60	-0.15	-56.12
CCCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=NN=N[N-]1	REAL250004606889	1	39	-1.0	-55.96	318.66	-0.13	-56.09
CCCC(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=N[N-]N=N1	REAL250004606890	0	39	-1.0	-45.33	310.93	4.31	-41.02
CCCC(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=NN=N[N-]1	REAL250004606890	1	39	-1.0	-45.34	310.99	4.32	-41.02
C#CCSCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606891	0	31	-1.0	-48.66	289.21	3.16	-45.50
C#CCSCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606891	1	31	-1.0	-48.66	289.27	3.17	-45.49
CCCC(NC(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004606892	0	42	-1.0	-47.02	347.25	6.43	-40.59
CCCC(NC(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004606892	1	42	-1.0	-47.05	347.31	6.44	-40.61
CCCC(NC(=O)C1=CN=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL250004606893	0	36	-1.0	-52.10	310.72	2.23	-49.87
CCCC(NC(=O)C1=CN=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL250004606893	1	36	-1.0	-52.10	310.78	2.25	-49.85
CCCC(NC(=O)C1C2CCC(=O)C21)C1=N[N-]N=N1	REAL250004606894	0	35	-1.0	-51.47	295.37	3.02	-48.45
CCCC(NC(=O)C1C2CCC(=O)C21)C1=NN=N[N-]1	REAL250004606894	1	35	-1.0	-51.45	295.43	3.04	-48.41
CCCC(NC(=O)C1=C2NN=C(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004606895	0	38	-1.0	-52.17	320.74	3.03	-49.14
CCCC(NC(=O)C1=C2NN=C(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004606895	1	38	-1.0	-52.19	320.69	3.01	-49.18
CCCC(NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004606896	1	44	-1.0	-45.80	343.12	-0.75	-46.55
CCCC(NC(=O)CC1=NN=C(C2CC2)N1)C1=N[N-]N=N1	REAL250004606897	0	38	-1.0	-60.43	324.52	3.07	-57.36
CCCC(NC(=O)CC1=NN=C(C2CC2)N1)C1=NN=N[N-]1	REAL250004606897	1	38	-1.0	-60.42	324.58	3.08	-57.34
CCCC(NC(=O)C1=CC(C)=C(C#N)C(C)=C1)C1=N[N-]N=N1	REAL250004606898	0	39	-1.0	-44.25	333.33	5.03	-39.22
CCCC(NC(=O)C1=CC(C)=C(C#N)C(C)=C1)C1=NN=N[N-]1	REAL250004606898	1	39	-1.0	-44.27	333.38	5.04	-39.23
CCCC(NC(=O)C1C(C)C1OCC)C1=N[N-]N=N1	REAL250004606899	0	39	-1.0	-51.40	318.33	2.89	-48.51
CCCC(NC(=O)C1C(C)C1OCC)C1=NN=N[N-]1	REAL250004606899	1	39	-1.0	-51.43	318.39	2.91	-48.52
CCCCCC(=O)NCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606900	0	44	-1.0	-43.51	362.37	2.14	-41.37
CCCCCC(=O)NCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606900	1	44	-1.0	-43.48	362.43	2.16	-41.32
CCCC(NC(=O)CCN1C=NN=N1)C1=NN=N[N-]1	REAL250004606901	0	33	-1.0	-47.93	289.91	1.46	-46.47
CCCC(NC(=O)CCN1C=NN=N1)C1=N[N-]N=N1	REAL250004606901	1	33	-1.0	-47.91	289.85	1.45	-46.46
CCCC(NC(=O)CN1N=CC=C1N)C1=NN=N[N-]1	REAL250004606902	0	34	-1.0	-52.85	294.38	0.50	-52.35
CCCC(NC(=O)CN1N=CC=C1N)C1=N[N-]N=N1	REAL250004606902	1	34	-1.0	-52.85	294.32	0.49	-52.36
CCCC(NC(=O)CC1(O)CCOCC1)C1=N[N-]N=N1	REAL250004606903	0	40	-1.0	-42.62	314.39	0.19	-42.43
CCCC(NC(=O)CC1(O)CCOCC1)C1=NN=N[N-]1	REAL250004606903	1	40	-1.0	-42.66	314.45	0.21	-42.45
CCCC(NC(=O)C1=CC=C2NC=CC2=N1)C1=NN=N[N-]1	REAL250004606904	0	35	-1.0	-52.01	302.89	1.91	-50.10
CCCC(NC(=O)C1=CC=C2NC=CC2=N1)C1=N[N-]N=N1	REAL250004606904	1	35	-1.0	-52.00	302.84	1.90	-50.10
CCCC(NC(=O)C=CC1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004606905	0	36	-1.0	-51.81	313.36	4.27	-47.54
CCCC(NC(=O)C=CC1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004606905	1	36	-1.0	-51.79	313.42	4.29	-47.50
CCCC(NC(=O)CC1CC=CCC1)C1=N[N-]N=N1	REAL250004606906	0	39	-1.0	-45.33	310.99	4.48	-40.85
CCCC(NC(=O)CC1CC=CCC1)C1=NN=N[N-]1	REAL250004606906	1	39	-1.0	-45.37	311.04	4.50	-40.87
CCCC(NC(=O)CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL250004606907	0	37	-1.0	-50.72	320.70	-0.63	-51.35
CCCC(NC(=O)CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL250004606907	1	37	-1.0	-50.68	320.75	-0.62	-51.30
CCCC(NC(=O)CN1CCC(CO)CC1)C1=N[N-]N=N1	REAL250004606908	0	44	-1.0	-49.56	345.97	-0.98	-50.54
CCCC(NC(=O)CN1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004606908	1	44	-1.0	-49.56	346.03	-0.96	-50.52
CCCC(NC(=O)C1=NN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004606910	0	34	-1.0	-47.38	300.20	1.01	-46.37
CCCC(NC(=O)C1=NN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004606910	1	34	-1.0	-47.40	300.15	0.99	-46.41
CCCC(NC(=O)C1=CS(=O)(=O)CCC1)C1=N[N-]N=N1	REAL250004606911	0	36	-1.0	-59.89	308.32	-0.14	-60.03
CCCC(NC(=O)C1=CS(=O)(=O)CCC1)C1=NN=N[N-]1	REAL250004606911	1	36	-1.0	-59.89	308.38	-0.13	-60.02
CCCC(NC(=O)C1CCC2(CC1)N=N2)C1=N[N-]N=N1	REAL250004606912	0	38	-1.0	-47.37	312.91	-1.55	-48.92
CCCC(NC(=O)C1CCC2(CC1)N=N2)C1=NN=N[N-]1	REAL250004606912	1	38	-1.0	-47.36	312.97	-1.53	-48.89
CCCC(NC(=O)C1CN2CCN1CC2C)C1=N[N-]N=N1	REAL250004606913	1	43	-1.0	-45.17	324.34	-1.36	-46.53
CCCC(NC(=O)C1CN2CCN1CC2C)C1=NN=N[N-]1	REAL250004606913	1	43	-1.0	-45.15	324.40	-1.34	-46.49
CCCC(NC(=O)C1=NC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004606914	0	36	-1.0	-57.46	310.83	2.71	-54.75
CCCC(NC(=O)C1=NC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004606914	1	36	-1.0	-57.47	310.77	2.70	-54.77
CCCC(NC(=O)C1=CN2C=CC=C(C)C2=C1)C1=N[N-]N=N1	REAL250004606915	0	39	-1.0	-52.12	329.29	5.84	-46.28
CCCC(NC(=O)C1=CN2C=CC=C(C)C2=C1)C1=NN=N[N-]1	REAL250004606915	1	39	-1.0	-52.10	329.34	5.85	-46.25
CCCC(NC(=O)C1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL250004606916	0	45	-1.0	-44.87	344.05	3.49	-41.38
CCCC(NC(=O)C1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL250004606916	1	45	-1.0	-44.89	344.10	3.50	-41.39
CCCC(NC(=O)CC1CCCC1(F)F)C1=N[N-]N=N1	REAL250004606917	0	38	-1.0	-42.55	313.08	4.04	-38.51
CCCC(NC(=O)CC1CCCC1(F)F)C1=NN=N[N-]1	REAL250004606917	1	38	-1.0	-42.54	313.13	4.06	-38.48
CCCC(NC(=O)CC1CCC(C2CC2)O1)C1=N[N-]N=N1	REAL250004606918	0	43	-1.0	-52.38	347.78	4.62	-47.76
CCCC(NC(=O)CC1CCC(C2CC2)O1)C1=NN=N[N-]1	REAL250004606918	1	43	-1.0	-52.43	347.83	4.64	-47.79
CCCC(NC(=O)CC1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL250004606919	0	38	-1.0	-54.09	324.58	1.28	-52.81
CCCC(NC(=O)CC1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL250004606919	1	38	-1.0	-54.06	324.63	1.29	-52.77
CCCC(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=N[N-]N=N1	REAL250004606920	0	42	-1.0	-44.55	323.23	5.11	-39.44
CCCC(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=NN=N[N-]1	REAL250004606920	1	42	-1.0	-44.55	323.28	5.12	-39.43
C=C(CC(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606921	0	38	-1.0	-46.33	309.33	3.89	-42.44
C=C(CC(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606921	1	38	-1.0	-46.31	309.39	3.90	-42.41
CCCC(NC(=O)C1=CC=C(C=O)C=N1)C1=NN=N[N-]1	REAL250004606922	0	33	-1.0	-49.31	294.89	1.65	-47.66
CCCC(NC(=O)C1=CC=C(C=O)C=N1)C1=N[N-]N=N1	REAL250004606922	1	33	-1.0	-49.29	294.83	1.64	-47.65
CCCC(NC(=O)C1=CN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004606923	0	35	-1.0	-48.51	303.19	2.77	-45.74
CCCC(NC(=O)C1=CN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004606923	1	35	-1.0	-48.52	303.24	2.79	-45.73
CCCC(NC(=O)C1=CN=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004606924	0	33	-1.0	-52.82	292.73	1.57	-51.25
CCCC(NC(=O)C1=CN=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004606924	1	33	-1.0	-52.84	292.67	1.56	-51.28
CCCC(NC(=O)C1=NC=CN1C(C)C)C1=NN=N[N-]1	REAL250004606925	0	38	-1.0	-47.09	316.36	3.57	-43.52
CCCC(NC(=O)C1=NC=CN1C(C)C)C1=N[N-]N=N1	REAL250004606925	1	38	-1.0	-47.13	316.30	3.56	-43.57
CCCC(NC(=O)C1=CC(C#N)=CC=C1C)C1=N[N-]N=N1	REAL250004606926	0	36	-1.0	-45.33	311.15	4.69	-40.64
CCCC(NC(=O)C1=CC(C#N)=CC=C1C)C1=NN=N[N-]1	REAL250004606926	1	36	-1.0	-45.36	311.21	4.71	-40.65
CCCC(NC(=O)C1=C2CCCNC2=NN1)C1=N[N-]N=N1	REAL250004606927	0	38	-1.0	-45.02	312.57	0.80	-44.22
CCCC(NC(=O)C1=C2CCCNC2=NN1)C1=NN=N[N-]1	REAL250004606927	1	38	-1.0	-45.02	312.63	0.82	-44.20
CCCC(NC(=O)C1=C2C=CC=CC2=NO1)C1=NN=N[N-]1	REAL250004606928	0	34	-1.0	-44.81	298.95	3.28	-41.53
CCCC(NC(=O)C1=C2C=CC=CC2=NO1)C1=N[N-]N=N1	REAL250004606928	1	34	-1.0	-44.78	298.90	3.26	-41.52
CCCC(NC(=O)C1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004606929	0	34	-1.0	-51.46	295.94	0.55	-50.91
CCCC(NC(=O)C1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004606929	1	34	-1.0	-51.43	295.88	0.54	-50.89
CCCC(NC(=O)CCC1=CC(C)=NN1)C1=N[N-]N=N1	REAL250004606930	0	38	-1.0	-45.60	322.16	2.03	-43.57
CCCC(NC(=O)CCC1=CC(C)=NN1)C1=NN=N[N-]1	REAL250004606930	1	38	-1.0	-45.61	322.21	2.04	-43.57
CCCC(NC(=O)C1=CC2=NNC=C2N=C1)C1=N[N-]N=N1	REAL250004606931	0	34	-1.0	-50.87	294.64	0.59	-50.28
CCCC(NC(=O)C1=CC2=NNC=C2N=C1)C1=NN=N[N-]1	REAL250004606931	1	34	-1.0	-50.87	294.69	0.60	-50.27
CCCC(NC(=O)C1=CC=C(CO)N=C1)C1=N[N-]N=N1	REAL250004606932	0	35	-1.0	-46.43	300.04	-0.71	-47.14
CCCC(NC(=O)C1=CC=C(CO)N=C1)C1=NN=N[N-]1	REAL250004606932	1	35	-1.0	-46.43	300.10	-0.70	-47.13
CCCC(NC(=O)CC1CCC(C)(O)CC1)C1=N[N-]N=N1	REAL250004606933	0	45	-1.0	-46.56	343.29	1.62	-44.94
CCCC(NC(=O)CC1CCC(C)(O)CC1)C1=NN=N[N-]1	REAL250004606933	1	45	-1.0	-46.58	343.35	1.64	-44.94
CCCC(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=N[N-]N=N1	REAL250004606934	0	40	-1.0	-42.77	322.43	-1.81	-44.58
CCCC(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=NN=N[N-]1	REAL250004606934	1	40	-1.0	-42.77	322.48	-1.79	-44.56
C=C(CCC(=O)OC)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606935	0	38	-1.0	-45.81	325.95	3.39	-42.42
C=C(CCC(=O)OC)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606935	1	38	-1.0	-45.82	326.01	3.41	-42.41
CCCC(NC(=O)CC1C=CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004606936	0	36	-1.0	-48.49	312.60	-0.28	-48.77
CCCC(NC(=O)CC1C=CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004606936	1	36	-1.0	-48.48	312.66	-0.27	-48.75
CCCC(NC(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL250004606937	0	32	-1.0	-43.13	288.03	3.74	-39.39
CCCC(NC(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL250004606937	1	32	-1.0	-43.13	288.09	3.76	-39.37
CCCC(NC(=O)CCC1=NC=CN1C)C1=N[N-]N=N1	REAL250004606938	0	38	-1.0	-50.48	320.84	3.44	-47.04
CCCC(NC(=O)CCC1=NC=CN1C)C1=NN=N[N-]1	REAL250004606938	1	38	-1.0	-50.51	320.89	3.45	-47.06
CCCC(NC(=O)C1=CN(CCO)N=C1)C1=NN=N[N-]1	REAL250004606939	0	36	-1.0	-47.31	312.33	-1.11	-48.42
CCCC(NC(=O)C1=CN(CCO)N=C1)C1=N[N-]N=N1	REAL250004606939	1	36	-1.0	-47.29	312.27	-1.13	-48.42
CCCC(NC(=O)C1=NC(C)=CO1)C1=N[N-]N=N1	REAL250004606940	0	31	-1.0	-48.76	275.45	-1.13	-49.89
CCCC(NC(=O)C1=NC(C)=CO1)C1=NN=N[N-]1	REAL250004606940	1	31	-1.0	-48.74	275.51	-1.12	-49.86
CCCC(NC(=O)C1=CC=NC(F)=C1OC)C1=NN=N[N-]1	REAL250004606941	0	35	-1.0	-48.28	305.25	2.39	-45.89
CCCC(NC(=O)C1=CC=NC(F)=C1OC)C1=N[N-]N=N1	REAL250004606941	1	35	-1.0	-48.22	305.19	2.37	-45.85
CCCC(NC(=O)C1=CC(C)=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004606942	0	34	-1.0	-45.14	309.88	2.99	-42.15
CCCC(NC(=O)C1=CC(C)=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004606942	1	34	-1.0	-45.11	309.94	3.01	-42.10
CCCC(NC(=O)C1=C(C)OC(C=O)=C1)C1=N[N-]N=N1	REAL250004606943	0	34	-1.0	-45.38	299.05	2.21	-43.17
CCCC(NC(=O)C1=C(C)OC(C=O)=C1)C1=NN=N[N-]1	REAL250004606943	1	34	-1.0	-45.41	299.11	2.22	-43.19
CCCC(NC(=O)C1=CC2=CNC=CC2=N1)C1=NN=N[N-]1	REAL250004606944	0	35	-1.0	-69.18	304.15	1.92	-67.26
CCCC(NC(=O)C1=CC2=CNC=CC2=N1)C1=N[N-]N=N1	REAL250004606944	1	35	-1.0	-69.14	304.09	1.91	-67.23
C=CC(CC)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606945	0	38	-1.0	-44.48	309.79	3.89	-40.59
C=CC(CC)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606945	1	38	-1.0	-44.53	309.84	3.91	-40.62
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004606946	0	39	-1.0	-47.83	330.37	3.30	-44.53
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004606946	1	39	-1.0	-47.84	330.42	3.31	-44.53
CCCC(NC(=O)C1=CC2=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004606947	0	35	-1.0	-50.91	303.60	5.16	-45.75
CCCC(NC(=O)C1=CC2=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004606947	1	35	-1.0	-50.92	303.54	5.14	-45.78
C=CC1(CC(=O)NC(CCC)C2=N[N-]N=N2)CCCCC1	REAL250004606948	0	45	-1.0	-44.08	335.32	5.08	-39.00
C=CC1(CC(=O)NC(CCC)C2=NN=N[N-]2)CCCCC1	REAL250004606948	1	45	-1.0	-44.09	335.38	5.09	-39.00
CCCC(NC(=O)[C@@H]1C[C@H]1C(=O)OCC)C1=N[N-]N=N1	REAL250004606949	0	38	-1.0	-46.79	326.94	3.70	-43.09
CCCC(NC(=O)[C@@H]1C[C@H]1C(=O)OCC)C1=NN=N[N-]1	REAL250004606949	1	38	-1.0	-46.79	327.00	3.71	-43.08
CCCC(NC(=O)C1=CC(Cl)=NC=C1F)C1=NN=N[N-]1	REAL250004606950	0	31	-1.0	-44.03	291.05	2.39	-41.64
CCCC(NC(=O)C1=CC(Cl)=NC=C1F)C1=N[N-]N=N1	REAL250004606950	1	31	-1.0	-44.03	290.99	2.37	-41.66
CCCC(NC(=O)C1=CC2=C(C)C=CC=C2O1)C1=N[N-]N=N1	REAL250004606951	0	38	-1.0	-46.00	326.50	4.67	-41.33
CCCC(NC(=O)C1=CC2=C(C)C=CC=C2O1)C1=NN=N[N-]1	REAL250004606951	1	38	-1.0	-46.00	326.56	4.68	-41.32
CCCC(NC(=O)CC1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004606952	0	41	-1.0	-55.50	341.17	3.45	-52.05
CCCC(NC(=O)CC1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004606952	1	41	-1.0	-55.50	341.23	3.47	-52.03
CCCC(NC(=O)C1=CC2=NC=CC=C2O1)C1=NN=N[N-]1	REAL250004606953	0	34	-1.0	-47.58	300.43	2.22	-45.36
CCCC(NC(=O)C1=CC2=NC=CC=C2O1)C1=N[N-]N=N1	REAL250004606953	1	34	-1.0	-47.55	300.38	2.20	-45.35
CCCC(NC(=O)C=CC1=C(C)N=CS1)C1=N[N-]N=N1	REAL250004606954	0	35	-1.0	-46.26	313.62	2.62	-43.64
CCCC(NC(=O)C=CC1=C(C)N=CS1)C1=NN=N[N-]1	REAL250004606954	1	35	-1.0	-46.26	313.68	2.63	-43.63
CCCC(NC(=O)CCC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004606955	0	37	-1.0	-47.84	317.23	3.21	-44.63
CCCC(NC(=O)CCC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004606955	1	37	-1.0	-47.87	317.28	3.23	-44.64
CCCC(NC(=O)C=CC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004606957	0	35	-1.0	-45.19	310.14	3.11	-42.08
CCCC(NC(=O)C=CC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004606957	1	35	-1.0	-45.21	310.19	3.12	-42.09
CCCC(NC(=O)C1=CN(CC)N=N1)C1=NN=N[N-]1	REAL250004606958	0	34	-1.0	-46.61	296.99	0.82	-45.79
CCCC(NC(=O)C1=CN(CC)N=N1)C1=N[N-]N=N1	REAL250004606958	1	34	-1.0	-46.59	296.94	0.80	-45.79
CCCC(NC(=O)[C@@H]1CCO[C@H]1CC)C1=N[N-]N=N1	REAL250004606959	0	39	-1.0	-44.72	316.10	2.18	-42.54
CCCC(NC(=O)[C@@H]1CCO[C@H]1CC)C1=NN=N[N-]1	REAL250004606959	1	39	-1.0	-44.71	316.16	2.19	-42.52
CCCC(NC(=O)C(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004606960	0	41	-1.0	-48.06	332.08	5.36	-42.70
CCCC(NC(=O)C(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004606960	1	41	-1.0	-48.05	332.14	5.37	-42.68
CCCC(NC(=O)C1=CC(OC)=NC=N1)C1=NN=N[N-]1	REAL250004606961	0	34	-1.0	-43.98	298.93	0.17	-43.81
CCCC(NC(=O)C1=CC(OC)=NC=N1)C1=N[N-]N=N1	REAL250004606961	1	34	-1.0	-43.98	298.87	0.15	-43.83
CCCC(NC(=O)[C@@H]1CSCC(=O)N1)C1=N[N-]N=N1	REAL250004606962	0	34	-1.0	-47.18	298.72	-0.04	-47.22
CCCC(NC(=O)[C@@H]1CSCC(=O)N1)C1=NN=N[N-]1	REAL250004606962	1	34	-1.0	-47.17	298.77	-0.02	-47.19
CCCC(NC(=O)CC(C)(C)C(F)F)C1=N[N-]N=N1	REAL250004606964	0	37	-1.0	-42.79	302.08	3.37	-39.42
CCCC(NC(=O)CC(C)(C)C(F)F)C1=NN=N[N-]1	REAL250004606964	1	37	-1.0	-42.76	302.14	3.39	-39.37
CCCC(NC(=O)[C@H]1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004606965	0	36	-1.0	-51.63	303.24	1.66	-49.97
CCCC(NC(=O)[C@H]1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004606965	1	36	-1.0	-51.70	303.30	1.68	-50.02
CCCC(NC(=O)C1CCCCC1F)C1=N[N-]N=N1	REAL250004606966	0	38	-1.0	-51.19	304.49	3.87	-47.32
CCCC(NC(=O)C1CCCCC1F)C1=NN=N[N-]1	REAL250004606966	1	38	-1.0	-51.22	304.55	3.88	-47.34
CCCC(NC(=O)C1=NC=C(C)C=C1C)C1=NN=N[N-]1	REAL250004606967	0	37	-1.0	-46.92	309.07	3.23	-43.69
CCCC(NC(=O)C1=NC=C(C)C=C1C)C1=N[N-]N=N1	REAL250004606967	1	37	-1.0	-46.94	309.02	3.21	-43.73
CCCC(NC(=O)C1=C2C=COC2=CC=N1)C1=NN=N[N-]1	REAL250004606968	0	34	-1.0	-49.94	296.80	2.25	-47.69
CCCC(NC(=O)C1=C2C=COC2=CC=N1)C1=N[N-]N=N1	REAL250004606968	1	34	-1.0	-49.96	296.74	2.24	-47.72
CCCC(NC(=O)C1=CC(C)=C(C)C=N1)C1=N[N-]N=N1	REAL250004606969	0	37	-1.0	-48.00	310.25	3.10	-44.90
CCCC(NC(=O)C1=CC(C)=C(C)C=N1)C1=NN=N[N-]1	REAL250004606969	1	37	-1.0	-48.02	310.30	3.11	-44.91
CCCC(NC(=O)C1CCC2=CNN=C21)C1=N[N-]N=N1	REAL250004606971	0	36	-1.0	-48.22	300.66	1.77	-46.45
CCCC(NC(=O)C1CCC2=CNN=C21)C1=NN=N[N-]1	REAL250004606971	1	36	-1.0	-48.18	300.72	1.79	-46.39
CCCC(NC(=O)CC1CCCOCC1)C1=N[N-]N=N1	REAL250004606972	0	42	-1.0	-45.98	322.84	3.11	-42.87
CCCC(NC(=O)CC1CCCOCC1)C1=NN=N[N-]1	REAL250004606972	1	42	-1.0	-45.98	322.90	3.12	-42.86
C=CCN1C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=N1	REAL250004606973	0	36	-1.0	-46.76	313.71	2.80	-43.96
C=CCN1C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=N1	REAL250004606973	1	36	-1.0	-46.75	313.65	2.78	-43.97
CCCC(NC(=O)C1CCCC2=CNN=C21)C1=N[N-]N=N1	REAL250004606974	0	39	-1.0	-49.96	317.12	2.58	-47.38
CCCC(NC(=O)C1CCCC2=CNN=C21)C1=NN=N[N-]1	REAL250004606974	1	39	-1.0	-49.93	317.18	2.60	-47.33
CCCC(NC(=O)C1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL250004606975	0	42	-1.0	-47.91	340.77	6.09	-41.82
CCCC(NC(=O)C1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL250004606975	1	42	-1.0	-47.90	340.82	6.11	-41.79
CCCC(NC(=O)CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004606976	0	34	-1.0	-61.45	294.95	0.84	-60.61
CCCC(NC(=O)CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004606976	1	34	-1.0	-61.45	295.01	0.86	-60.59
CCCC(NC(=O)CCC1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004606977	0	37	-1.0	-46.91	317.25	3.27	-43.64
CCCC(NC(=O)CCC1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004606977	1	37	-1.0	-46.87	317.30	3.28	-43.59
CCCC(NC(=O)C1=NOC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004606978	0	38	-1.0	-44.56	321.39	3.75	-40.81
CCCC(NC(=O)C1=NOC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004606978	1	38	-1.0	-44.50	321.45	3.77	-40.73
CCCC(NC(=O)CC1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004606979	0	44	-1.0	-46.13	341.91	4.94	-41.19
CCCC(NC(=O)CC1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004606979	1	44	-1.0	-46.14	341.96	4.96	-41.18
CCCC(NC(=O)C1CC2(C1)CC(C)(C)C2)C1=N[N-]N=N1	REAL250004606980	0	45	-1.0	-44.73	352.26	5.47	-39.26
CCCC(NC(=O)C1CC2(C1)CC(C)(C)C2)C1=NN=N[N-]1	REAL250004606980	1	45	-1.0	-44.71	352.32	5.48	-39.23
CCCC(NC(=O)C1=CC(F)=CC=C1N)C1=N[N-]N=N1	REAL250004606981	0	34	-1.0	-43.01	290.50	1.91	-41.10
CCCC(NC(=O)C1=CC(F)=CC=C1N)C1=NN=N[N-]1	REAL250004606981	1	34	-1.0	-42.98	290.56	1.93	-41.05
CCCC(NC(=O)CC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004606982	0	33	-1.0	-48.09	288.61	2.32	-45.77
CCCC(NC(=O)CC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004606982	1	33	-1.0	-48.11	288.56	2.31	-45.80
CCCC(NC(=O)C1=CN=NC(C)=C1)C1=N[N-]N=N1	REAL250004606983	0	33	-1.0	-43.29	286.11	1.38	-41.91
CCCC(NC(=O)C1=CN=NC(C)=C1)C1=NN=N[N-]1	REAL250004606983	1	33	-1.0	-43.30	286.16	1.40	-41.90
CCCC(NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004606984	0	47	-1.0	-44.95	354.89	5.34	-39.61
CCCC(NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004606984	1	47	-1.0	-44.94	354.95	5.35	-39.59
CCCC(NC(=O)C1=CN2C=CN=CC2=N1)C1=NN=N[N-]1	REAL250004606985	0	34	-1.0	-47.82	299.66	2.35	-45.47
CCCC(NC(=O)C1=CN2C=CN=CC2=N1)C1=N[N-]N=N1	REAL250004606985	1	34	-1.0	-47.82	299.61	2.33	-45.49
CCCC(NC(=O)C1=NC(C(C)(C)C)=NN1)C1=N[N-]N=N1	REAL250004606986	0	40	-1.0	-41.33	335.60	2.24	-39.09
CCCC(NC(=O)C1=NC(C(C)(C)C)=NN1)C1=NN=N[N-]1	REAL250004606986	1	40	-1.0	-41.32	335.66	2.26	-39.06
CCCC(NC(=O)[C@@H](O)[C@@H](C)CC)C1=N[N-]N=N1	REAL250004606987	0	38	-1.0	-45.55	304.79	1.34	-44.21
CCCC(NC(=O)[C@@H](O)[C@@H](C)CC)C1=NN=N[N-]1	REAL250004606987	1	38	-1.0	-45.49	304.85	1.35	-44.14
CCCC(NC(=O)C(CC(C)C)C(C)C)C1=N[N-]N=N1	REAL250004606988	0	46	-1.0	-44.97	344.92	5.16	-39.81
CCCC(NC(=O)C(CC(C)C)C(C)C)C1=NN=N[N-]1	REAL250004606988	1	46	-1.0	-44.97	344.98	5.18	-39.79
CCCC(NC(=O)C1C2CCC(C2)C1(C)C)C1=N[N-]N=N1	REAL250004606989	0	45	-1.0	-46.02	332.01	5.03	-40.99
CCCC(NC(=O)C1C2CCC(C2)C1(C)C)C1=NN=N[N-]1	REAL250004606989	1	45	-1.0	-46.04	332.07	5.05	-40.99
CCCC(NC(=O)C1=CC=C(F)C(O)=C1)C1=N[N-]N=N1	REAL250004606990	0	33	-1.0	-45.80	291.52	0.84	-44.96
CCCC(NC(=O)C1=CC=C(F)C(O)=C1)C1=NN=N[N-]1	REAL250004606990	1	33	-1.0	-45.85	291.58	0.85	-45.00
CCCC(NC(=O)C1=CC=C(Cl)C(O)=C1)C1=N[N-]N=N1	REAL250004606992	1	33	-1.0	-45.40	301.32	1.33	-44.07
CCCC(NC(=O)C1=CC=C(Cl)C(O)=C1)C1=NN=N[N-]1	REAL250004606992	1	33	-1.0	-45.37	301.37	1.34	-44.03
CCCC(NC(=O)C1=CC2=C(C=CN2C)N1)C1=NN=N[N-]1	REAL250004606994	0	37	-1.0	-49.23	315.29	3.14	-46.09
CCCC(NC(=O)C1=CC2=C(C=CN2C)N1)C1=N[N-]N=N1	REAL250004606994	1	37	-1.0	-49.24	315.23	3.12	-46.12
CCCC(NC(=O)[C@H](C)N1C=NN=N1)C1=NN=N[N-]1	REAL250004606996	0	33	-1.0	-54.34	286.41	1.28	-53.06
CCCC(NC(=O)[C@H](C)N1C=NN=N1)C1=N[N-]N=N1	REAL250004606996	1	33	-1.0	-54.29	286.35	1.27	-53.02
CCCC(NC(=O)CCC(=O)NC)C1=N[N-]N=N1	REAL250004606997	0	35	-1.0	-45.74	298.52	-0.37	-46.11
CCCC(NC(=O)CCC(=O)NC)C1=NN=N[N-]1	REAL250004606997	1	35	-1.0	-45.74	298.58	-0.36	-46.10
C=C(F)C1(CC(=O)NC(CCC)C2=N[N-]N=N2)CCC1	REAL250004606998	0	39	-1.0	-43.38	317.04	4.33	-39.05
C=C(F)C1(CC(=O)NC(CCC)C2=NN=N[N-]2)CCC1	REAL250004606998	1	39	-1.0	-43.40	317.10	4.34	-39.06
CCCC(NC(=O)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004606999	0	33	-1.0	-48.85	299.64	4.08	-44.77
CCCC(NC(=O)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004606999	1	33	-1.0	-48.86	299.70	4.10	-44.76
CCCC(NC(=O)C1=CC=NC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004607000	0	35	-1.0	-52.55	306.49	-1.29	-53.84
CCCC(NC(=O)C1=CC=NC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004607000	1	35	-1.0	-52.52	306.43	-1.30	-53.82
CCCC(NC(=O)CC(O)C1CCCC1)C1=N[N-]N=N1	REAL250004607001	0	42	-1.0	-48.29	330.38	2.57	-45.72
CCCC(NC(=O)CC(O)C1CCCC1)C1=NN=N[N-]1	REAL250004607001	1	42	-1.0	-48.27	330.44	2.58	-45.69
CCCC(NC(=O)C1=CC(C(N)=O)=CC=N1)C1=NN=N[N-]1	REAL250004607002	0	35	-1.0	-57.25	306.49	-1.31	-58.56
CCCC(NC(=O)C1=CC(C(N)=O)=CC=N1)C1=N[N-]N=N1	REAL250004607002	1	35	-1.0	-57.25	306.43	-1.32	-58.57
CCCC(NC(=O)COC1(C)CCCC1)C1=N[N-]N=N1	REAL250004607003	0	42	-1.0	-48.27	332.51	4.08	-44.19
CCCC(NC(=O)COC1(C)CCCC1)C1=NN=N[N-]1	REAL250004607003	1	42	-1.0	-48.26	332.57	4.09	-44.17
CCCC(NC(=O)C1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004607004	0	37	-1.0	-50.11	317.77	4.20	-45.91
CCCC(NC(=O)C1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004607004	1	37	-1.0	-50.10	317.71	4.19	-45.91
CCCC(NC(=O)CCC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004607005	0	38	-1.0	-45.23	321.85	4.33	-40.90
CCCC(NC(=O)CCC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004607005	1	38	-1.0	-45.27	321.90	4.34	-40.93
CCCC(NC(=O)C1=CC=C(C)C(F)=N1)C1=NN=N[N-]1	REAL250004607006	0	34	-1.0	-45.94	298.34	2.48	-43.46
CCCC(NC(=O)C1=CC=C(C)C(F)=N1)C1=N[N-]N=N1	REAL250004607006	1	34	-1.0	-45.98	298.29	2.46	-43.52
CCCC(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=N[N-]N=N1	REAL250004607007	0	37	-1.0	-45.98	300.94	2.15	-43.83
CCCC(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=NN=N[N-]1	REAL250004607007	1	37	-1.0	-45.96	301.00	2.16	-43.80
CCCC(NC(=O)CCC1CC1(C)C)C1=N[N-]N=N1	REAL250004607008	0	41	-1.0	-44.97	332.04	4.79	-40.18
CCCC(NC(=O)CCC1CC1(C)C)C1=NN=N[N-]1	REAL250004607008	1	41	-1.0	-44.97	332.10	4.82	-40.15
CCCC(NC(=O)COC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004607009	0	35	-1.0	-46.47	311.81	1.70	-44.77
CCCC(NC(=O)COC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004607009	1	35	-1.0	-46.47	311.76	1.68	-44.79
CCCC(NC(=O)CC1COCC(C)(C)O1)C1=N[N-]N=N1	REAL250004607010	0	43	-1.0	-49.05	341.34	2.57	-46.48
CCCC(NC(=O)CC1COCC(C)(C)O1)C1=NN=N[N-]1	REAL250004607010	1	43	-1.0	-49.09	341.39	2.59	-46.50
CCCC(NC(=O)C1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004607011	0	42	-1.0	-45.04	325.93	2.60	-42.44
CCCC(NC(=O)C1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004607011	1	42	-1.0	-45.00	325.99	2.62	-42.38
CCCC(NC(=O)CCCCC(F)(F)F)C1=N[N-]N=N1	REAL250004607012	0	37	-1.0	-44.80	321.54	4.03	-40.77
CCCC(NC(=O)CCCCC(F)(F)F)C1=NN=N[N-]1	REAL250004607012	1	37	-1.0	-44.78	321.59	4.04	-40.74
CCCC(NC(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=N[N-]N=N1	REAL250004607013	0	36	-1.0	-46.40	311.15	1.94	-44.46
CCCC(NC(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=NN=N[N-]1	REAL250004607013	1	36	-1.0	-46.41	311.20	1.95	-44.46
CCCC(NC(=O)C(F)(F)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004607014	0	35	-1.0	-43.16	309.15	1.84	-41.32
CCCC(NC(=O)C(F)(F)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004607014	1	35	-1.0	-43.11	309.10	1.82	-41.29
CCCC(NC(=O)C1CCCC1OC)C1=N[N-]N=N1	REAL250004607015	0	39	-1.0	-50.20	314.22	2.34	-47.86
CCCC(NC(=O)C1CCCC1OC)C1=NN=N[N-]1	REAL250004607015	1	39	-1.0	-50.17	314.28	2.36	-47.81
CCCC(NC(=O)C1CC2CCCC21)C1=N[N-]N=N1	REAL250004607016	0	39	-1.0	-45.09	303.46	4.34	-40.75
CCCC(NC(=O)C1CC2CCCC21)C1=NN=N[N-]1	REAL250004607016	1	39	-1.0	-45.11	303.52	4.35	-40.76
CCCC(NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C1=N[N-]N=N1	REAL250004607017	0	38	-1.0	-51.36	320.43	3.25	-48.11
CCCC(NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C1=NN=N[N-]1	REAL250004607017	1	38	-1.0	-51.33	320.48	3.26	-48.07
CCCC(NC(=O)C1=CSC(CC)=N1)C1=N[N-]N=N1	REAL250004607018	0	34	-1.0	-46.71	304.97	2.08	-44.63
CCCC(NC(=O)C1=CSC(CC)=N1)C1=NN=N[N-]1	REAL250004607018	1	34	-1.0	-46.74	305.03	2.10	-44.64
CCCC(NC(=O)C1=NNC=C1C1CC1)C1=N[N-]N=N1	REAL250004607019	0	36	-1.0	-50.62	305.40	2.20	-48.42
CCCC(NC(=O)C1=NNC=C1C1CC1)C1=NN=N[N-]1	REAL250004607019	1	36	-1.0	-50.61	305.46	2.22	-48.39
CCCC(NC(=O)C1CCC2CC2CC1)C1=N[N-]N=N1	REAL250004607020	0	42	-1.0	-46.05	323.47	5.10	-40.95
CCCC(NC(=O)C1CCC2CC2CC1)C1=NN=N[N-]1	REAL250004607020	1	42	-1.0	-46.02	323.53	5.12	-40.90
CCCC(NC(=O)CC1CCC=CCC1)C1=N[N-]N=N1	REAL250004607021	0	42	-1.0	-45.54	324.87	4.99	-40.55
CCCC(NC(=O)CC1CCC=CCC1)C1=NN=N[N-]1	REAL250004607021	1	42	-1.0	-45.51	324.93	5.00	-40.51
CCCC(NC(=O)[C@H]1CSCN1C(C)=O)C1=N[N-]N=N1	REAL250004607022	0	37	-1.0	-58.97	314.90	3.03	-55.94
CCCC(NC(=O)[C@H]1CSCN1C(C)=O)C1=NN=N[N-]1	REAL250004607022	1	37	-1.0	-58.95	314.96	3.04	-55.91
CCCC(NC(=O)C1=CCCOCC1)C1=N[N-]N=N1	REAL250004607023	0	37	-1.0	-46.19	297.17	2.12	-44.07
CCCC(NC(=O)C1=CCCOCC1)C1=NN=N[N-]1	REAL250004607023	1	37	-1.0	-46.17	297.22	2.13	-44.04
CCCC(NC(=O)C1=CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004607024	0	42	-1.0	-45.71	326.21	4.80	-40.91
CCCC(NC(=O)C1=CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004607024	1	42	-1.0	-45.70	326.27	4.82	-40.88
CCCC(NC(=O)C=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004607025	0	35	-1.0	-46.75	303.71	3.04	-43.71
CCCC(NC(=O)C=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004607025	1	35	-1.0	-46.74	303.77	3.05	-43.69
CCCC(NC(=O)C1=CC=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004607026	0	36	-1.0	-45.39	311.93	4.06	-41.33
CCCC(NC(=O)C1=CC=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004607026	1	36	-1.0	-45.39	311.99	4.07	-41.32
CCCC(NC(=O)C1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004607027	0	35	-1.0	-49.14	309.11	2.06	-47.08
CCCC(NC(=O)C1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004607027	1	35	-1.0	-49.13	309.17	2.08	-47.05
CCCC(NC(=O)CCC1(C)CC1)C1=N[N-]N=N1	REAL250004607028	0	38	-1.0	-44.94	308.37	4.01	-40.93
CCCC(NC(=O)CCC1(C)CC1)C1=NN=N[N-]1	REAL250004607028	1	38	-1.0	-44.95	308.43	4.02	-40.93
CCCC(NC(=O)C1=COC(C=O)=C1)C1=N[N-]N=N1	REAL250004607029	0	31	-1.0	-51.75	280.94	1.41	-50.34
CCCC(NC(=O)C1=COC(C=O)=C1)C1=NN=N[N-]1	REAL250004607029	1	31	-1.0	-51.79	281.00	1.42	-50.37
CCCC(NC(=O)C1=CN=C2SCCN12)C1=NN=N[N-]1	REAL250004607030	0	34	-1.0	-48.81	299.56	2.79	-46.02
CCCC(NC(=O)C1=CN=C2SCCN12)C1=N[N-]N=N1	REAL250004607030	1	34	-1.0	-48.83	299.50	2.77	-46.06
CCCC(NC(=O)C1=CN=C(N)O1)C1=NN=N[N-]1	REAL250004607031	0	30	-1.0	-45.44	268.52	-3.56	-49.00
CCCC(NC(=O)C1=CN=C(N)O1)C1=N[N-]N=N1	REAL250004607031	1	30	-1.0	-45.47	268.46	-3.57	-49.04
CCCC(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=N[N-]N=N1	REAL250004607032	0	40	-1.0	-45.83	314.02	4.91	-40.92
CCCC(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=NN=N[N-]1	REAL250004607032	1	40	-1.0	-45.84	314.08	4.93	-40.91
CCCC(NC(=O)C1CC2CC2CC1C)C1=N[N-]N=N1	REAL250004607033	0	42	-1.0	-45.80	326.88	4.87	-40.93
CCCC(NC(=O)C1CC2CC2CC1C)C1=NN=N[N-]1	REAL250004607033	1	42	-1.0	-45.75	326.94	4.89	-40.86
CCCC(NC(=O)C1=CN(C)C=CC1=O)C1=N[N-]N=N1	REAL250004607034	0	35	-1.0	-59.39	298.48	3.12	-56.27
CCCC(NC(=O)C1=CN(C)C=CC1=O)C1=NN=N[N-]1	REAL250004607034	1	35	-1.0	-59.31	298.54	3.13	-56.18
CCCC(NC(=O)CC1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004607035	0	38	-1.0	-50.65	326.72	4.07	-46.58
CCCC(NC(=O)CC1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004607035	1	38	-1.0	-50.64	326.78	4.08	-46.56
CCCC(NC(=O)C1=CN=C(CC)N1)C1=N[N-]N=N1	REAL250004607036	0	35	-1.0	-46.79	299.65	1.64	-45.15
CCCC(NC(=O)C1=CN=C(CC)N1)C1=NN=N[N-]1	REAL250004607036	1	35	-1.0	-46.80	299.71	1.66	-45.14
CCCC(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004607037	0	36	-1.0	-46.42	308.83	4.81	-41.61
CCCC(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004607037	1	36	-1.0	-46.46	308.89	4.83	-41.63
CCCC(NC(=O)C=CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004607038	0	36	-1.0	-46.79	315.25	4.88	-41.91
CCCC(NC(=O)C=CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004607038	1	36	-1.0	-46.81	315.31	4.89	-41.92
CCCC(NC(=O)C1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004607039	1	33	-1.0	-48.58	289.36	2.22	-46.36
CCCC(NC(=O)C1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004607039	1	33	-1.0	-48.61	289.41	2.23	-46.38
CCCC(NC(=O)C1=CNC(=O)C=C1OC)C1=N[N-]N=N1	REAL250004607040	0	36	-1.0	-47.59	306.33	0.39	-47.20
CCCC(NC(=O)C1=CNC(=O)C=C1OC)C1=NN=N[N-]1	REAL250004607040	1	36	-1.0	-47.56	306.38	0.40	-47.16
CCCC(NC(=O)C(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004607041	0	37	-1.0	-42.24	316.24	4.12	-38.12
CCCC(NC(=O)C(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004607041	1	37	-1.0	-42.18	316.29	4.13	-38.05
CCCC(NC(=O)COC1CCCCCC1)C1=N[N-]N=N1	REAL250004607042	0	45	-1.0	-48.27	346.67	4.71	-43.56
CCCC(NC(=O)COC1CCCCCC1)C1=NN=N[N-]1	REAL250004607042	1	45	-1.0	-48.28	346.72	4.74	-43.54
CCCC(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004607043	0	42	-1.0	-45.10	319.52	4.90	-40.20
CCCC(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004607043	1	42	-1.0	-45.16	319.58	4.91	-40.25
CCCC(NC(=O)C1=CC(F)=CC(F)=C1O)C1=N[N-]N=N1	REAL250004607044	1	33	-1.0	-45.28	295.75	2.28	-43.00
CCCC(NC(=O)C1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL250004607045	0	42	-1.0	-46.33	340.74	6.11	-40.22
CCCC(NC(=O)C1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL250004607045	1	42	-1.0	-46.34	340.79	6.11	-40.23
CCCC(NC(=O)C1=NC=CC2=NC=NC=C21)C1=NN=N[N-]1	REAL250004607046	0	35	-1.0	-44.36	302.53	2.04	-42.32
CCCC(NC(=O)C1=NC=CC2=NC=NC=C21)C1=N[N-]N=N1	REAL250004607046	1	35	-1.0	-44.39	302.47	2.02	-42.37
CCCC(NC(=O)C1=NC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004607047	0	34	-1.0	-50.23	297.61	0.56	-49.67
CCCC(NC(=O)C1=NC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004607047	1	34	-1.0	-50.21	297.67	0.58	-49.63
CCCC(NC(=O)C(O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL250004607048	0	41	-1.0	-41.24	323.82	-2.22	-43.46
CCCC(NC(=O)C(O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL250004607048	1	41	-1.0	-41.20	323.89	-2.21	-43.41
CCCC(NC(=O)C1=CC=C(CO)C=N1)C1=NN=N[N-]1	REAL250004607049	0	35	-1.0	-48.36	304.43	-0.79	-49.15
CCCC(NC(=O)C1=CC=C(CO)C=N1)C1=N[N-]N=N1	REAL250004607049	1	35	-1.0	-48.38	304.37	-0.80	-49.18
CCCC(NC(=O)CC1=CON=C1C)C1=N[N-]N=N1	REAL250004607050	0	34	-1.0	-49.51	295.73	2.29	-47.22
CCCC(NC(=O)CC1=CON=C1C)C1=NN=N[N-]1	REAL250004607050	1	34	-1.0	-49.50	295.79	2.30	-47.20
CCCC(NC(=O)CC1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004607051	0	35	-1.0	-49.17	316.57	2.33	-46.84
CCCC(NC(=O)CC1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004607051	1	35	-1.0	-49.14	316.62	2.35	-46.79
CCCC(NC(=O)C1=CN2CCOCC2=C1)C1=N[N-]N=N1	REAL250004607052	0	38	-1.0	-49.52	317.06	2.45	-47.07
CCCC(NC(=O)C1=CN2CCOCC2=C1)C1=NN=N[N-]1	REAL250004607052	1	38	-1.0	-49.54	317.12	2.46	-47.08
CCCC(NC(=O)C1=CNC(=O)N1CC)C1=N[N-]N=N1	REAL250004607053	0	36	-1.0	-49.20	305.95	1.24	-47.96
CCCC(NC(=O)C1=CNC(=O)N1CC)C1=NN=N[N-]1	REAL250004607053	1	36	-1.0	-49.20	306.01	1.26	-47.94
CCCC(NC(=O)C1=CC=CN=C1NC)C1=N[N-]N=N1	REAL250004607054	0	36	-1.0	-46.14	301.06	2.18	-43.96
CCCC(NC(=O)C1=CC=CN=C1NC)C1=NN=N[N-]1	REAL250004607054	1	36	-1.0	-46.12	301.11	2.19	-43.93
CCCC(NC(=O)CC1(OC)CC1)C1=N[N-]N=N1	REAL250004607055	0	36	-1.0	-47.30	299.03	1.59	-45.71
CCCC(NC(=O)CC1(OC)CC1)C1=NN=N[N-]1	REAL250004607055	1	36	-1.0	-47.26	299.09	1.61	-45.65
CCCC(NC(=O)CC1CCC2CC2C1)C1=N[N-]N=N1	REAL250004607056	0	42	-1.0	-45.21	326.46	5.19	-40.02
CCCC(NC(=O)CC1CCC2CC2C1)C1=NN=N[N-]1	REAL250004607056	1	42	-1.0	-45.23	326.52	5.21	-40.02
CCCC(NC(=O)C1=CC(C)=NS1)C1=N[N-]N=N1	REAL250004607057	0	31	-1.0	-43.08	283.23	1.84	-41.24
CCCC(NC(=O)C1=CC(C)=NS1)C1=NN=N[N-]1	REAL250004607057	1	31	-1.0	-43.07	283.29	1.86	-41.21
CCCC(NC(=O)C(F)(F)C(O)C(C)C)C1=N[N-]N=N1	REAL250004607058	0	38	-1.0	-41.49	314.72	1.65	-39.84
CCCC(NC(=O)C(F)(F)C(O)C(C)C)C1=NN=N[N-]1	REAL250004607058	1	38	-1.0	-41.48	314.77	1.66	-39.82
C#CC1(O)CC(C(=O)NC(CCC)C2=N[N-]N=N2)C1	REAL250004607059	0	35	-1.0	-48.22	303.36	0.29	-47.93
C#CC1(O)CC(C(=O)NC(CCC)C2=NN=N[N-]2)C1	REAL250004607059	1	35	-1.0	-48.21	303.41	0.31	-47.90
CCCC(NC(=O)C1=C2C=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004607060	0	35	-1.0	-56.28	302.62	4.94	-51.34
CCCC(NC(=O)C1=C2C=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004607060	1	35	-1.0	-56.24	302.56	4.92	-51.32
CCCC(NC(=O)C1=NN2C=CC=C(C)C2=C1)C1=NN=N[N-]1	REAL250004607061	0	38	-1.0	-51.78	326.62	3.95	-47.83
CCCC(NC(=O)C1=NN2C=CC=C(C)C2=C1)C1=N[N-]N=N1	REAL250004607061	1	38	-1.0	-51.76	326.56	3.94	-47.82
CCCC(NC(=O)C1=NOC(C2(C)CC2)=N1)C1=NN=N[N-]1	REAL250004607063	0	37	-1.0	-47.44	321.73	1.30	-46.14
CCCC(NC(=O)C1=NOC(C2(C)CC2)=N1)C1=N[N-]N=N1	REAL250004607063	1	37	-1.0	-47.48	321.67	1.28	-46.20
CCCC(NC(=O)CCOCCOCC)C1=N[N-]N=N1	REAL250004607064	0	42	-1.0	-45.15	349.92	1.58	-43.57
CCCC(NC(=O)CCOCCOCC)C1=NN=N[N-]1	REAL250004607064	1	42	-1.0	-45.15	349.98	1.59	-43.56
CCCC(NC(=O)COC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004607065	0	43	-1.0	-49.56	338.68	2.32	-47.24
CCCC(NC(=O)COC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004607065	1	43	-1.0	-49.60	338.74	2.32	-47.28
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=N[N-]N=N1	REAL250004607066	0	40	-1.0	-49.52	327.48	3.05	-46.47
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=NN=N[N-]1	REAL250004607066	1	40	-1.0	-49.51	327.54	3.06	-46.45
CCCC(NC(=O)CC1=CC(C)=CS1)C1=N[N-]N=N1	REAL250004607067	0	35	-1.0	-46.74	310.79	4.08	-42.66
CCCC(NC(=O)CC1=CC(C)=CS1)C1=NN=N[N-]1	REAL250004607067	1	35	-1.0	-46.72	310.84	4.09	-42.63
CCCC(NC(=O)C#CC1CCCOC1)C1=N[N-]N=N1	REAL250004607068	0	38	-1.0	-45.36	320.86	2.87	-42.49
CCCC(NC(=O)C#CC1CCCOC1)C1=NN=N[N-]1	REAL250004607068	1	38	-1.0	-45.33	320.91	2.89	-42.44
CCCC(NC(=O)C1CC=CCO1)C1=N[N-]N=N1	REAL250004607070	0	34	-1.0	-48.37	284.98	2.55	-45.82
CCCC(NC(=O)C1CC=CCO1)C1=NN=N[N-]1	REAL250004607070	1	34	-1.0	-48.30	285.03	2.56	-45.74
CCCC(NC(=O)CC1CC(F)C1)C1=N[N-]N=N1	REAL250004607071	0	35	-1.0	-44.25	293.37	3.47	-40.78
CCCC(NC(=O)CC1CC(F)C1)C1=NN=N[N-]1	REAL250004607071	1	35	-1.0	-44.23	293.43	3.49	-40.74
CCCC(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004607072	0	36	-1.0	-43.93	311.15	4.14	-39.79
CCCC(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004607072	1	36	-1.0	-43.95	311.21	4.15	-39.80
CCCC(NC(=O)CSC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004607073	0	35	-1.0	-47.31	315.58	3.19	-44.12
CCCC(NC(=O)CSC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004607073	1	35	-1.0	-47.30	315.53	3.17	-44.13
CCCC(NC(=O)C1=CN2N=CN=C2C=C1)C1=NN=N[N-]1	REAL250004607074	0	34	-1.0	-46.93	296.18	4.07	-42.86
CCCC(NC(=O)C1=CN2N=CN=C2C=C1)C1=N[N-]N=N1	REAL250004607074	1	34	-1.0	-46.91	296.13	4.06	-42.85
CCCC(NC(=O)C1=C(C)C=C(C=O)N1)C1=N[N-]N=N1	REAL250004607075	0	35	-1.0	-47.47	303.59	1.71	-45.76
CCCC(NC(=O)C1=C(C)C=C(C=O)N1)C1=NN=N[N-]1	REAL250004607075	1	35	-1.0	-47.53	303.65	1.72	-45.81
CCCC(NC(=O)C1CCS1(=O)=O)C1=N[N-]N=N1	REAL250004607076	0	32	-1.0	-57.98	284.66	-1.43	-59.41
CCCC(NC(=O)C1CCS1(=O)=O)C1=NN=N[N-]1	REAL250004607076	1	32	-1.0	-57.96	284.71	-1.41	-59.37
CCCC(NC(=O)CC(O)C1CC1)C1=N[N-]N=N1	REAL250004607077	0	36	-1.0	-48.13	301.86	1.18	-46.95
CCCC(NC(=O)CC(O)C1CC1)C1=NN=N[N-]1	REAL250004607077	1	36	-1.0	-48.14	301.92	1.20	-46.94
CCCC(NC(=O)C1=C2NCCCN2N=C1)C1=NN=N[N-]1	REAL250004607078	0	38	-1.0	-50.29	314.81	1.24	-49.05
CCCC(NC(=O)C1=C2NCCCN2N=C1)C1=N[N-]N=N1	REAL250004607078	1	38	-1.0	-50.31	314.75	1.22	-49.09
CCCC(NC(=O)C1=C(N)C(C)=NS1)C1=N[N-]N=N1	REAL250004607079	0	33	-1.0	-43.88	292.20	-0.02	-43.90
CCCC(NC(=O)C1=C(N)C(C)=NS1)C1=NN=N[N-]1	REAL250004607079	1	33	-1.0	-43.86	292.26	0.00	-43.86
CCCC(NC(=O)C=CC1=NC=CS1)C1=N[N-]N=N1	REAL250004607080	0	32	-1.0	-45.15	296.46	2.16	-42.99
CCCC(NC(=O)C=CC1=NC=CS1)C1=NN=N[N-]1	REAL250004607080	1	32	-1.0	-45.12	296.52	2.17	-42.95
CCCC(NC(=O)C1=CC=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL250004607081	0	39	-1.0	-47.35	323.75	3.68	-43.67
CCCC(NC(=O)C1=CC=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL250004607081	1	39	-1.0	-47.34	323.81	3.70	-43.64
CCCC(NC(=O)C1=C(OC)SC=C1)C1=N[N-]N=N1	REAL250004607082	0	33	-1.0	-51.78	295.47	3.02	-48.76
CCCC(NC(=O)C1=C(OC)SC=C1)C1=NN=N[N-]1	REAL250004607082	1	33	-1.0	-51.75	295.53	3.03	-48.72
CCCC(NC(=O)C1C(F)(F)C12CCC2)C1=N[N-]N=N1	REAL250004607083	0	36	-1.0	-42.81	307.66	4.18	-38.63
CCCC(NC(=O)C1C(F)(F)C12CCC2)C1=NN=N[N-]1	REAL250004607083	1	36	-1.0	-42.82	307.72	4.20	-38.62
C=C(C)CCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607084	0	38	-1.0	-45.58	316.33	4.09	-41.49
C=C(C)CCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607084	1	38	-1.0	-45.62	316.39	4.11	-41.51
CCCC(NC(=O)CC1(COC)CCCC1)C1=N[N-]N=N1	REAL250004607085	0	45	-1.0	-44.44	348.54	3.54	-40.90
CCCC(NC(=O)CC1(COC)CCCC1)C1=NN=N[N-]1	REAL250004607085	1	45	-1.0	-44.47	348.59	3.56	-40.91
CCCC(NC(=O)C1=CC=CC(CCl)=C1)C1=N[N-]N=N1	REAL250004607086	0	35	-1.0	-48.53	312.84	4.89	-43.64
CCCC(NC(=O)C1=CC=CC(CCl)=C1)C1=NN=N[N-]1	REAL250004607086	1	35	-1.0	-48.51	312.89	4.90	-43.61
CCCC(NC(=O)CN1N=CC(C#N)=C1N)C1=NN=N[N-]1	REAL250004607087	0	35	-1.0	-47.84	315.05	1.00	-46.84
CCCC(NC(=O)CN1N=CC(C#N)=C1N)C1=N[N-]N=N1	REAL250004607087	1	35	-1.0	-47.81	314.99	0.98	-46.83
CCCC(NC(=O)C(CCC)C(=O)OC)C1=N[N-]N=N1	REAL250004607088	0	40	-1.0	-43.94	329.85	3.69	-40.25
CCCC(NC(=O)C(CCC)C(=O)OC)C1=NN=N[N-]1	REAL250004607088	1	40	-1.0	-43.92	329.90	3.70	-40.22
CCCC(NC(=O)CCC[N+](=O)[O-])C1=N[N-]N=N1	REAL250004607089	0	33	-1.0	-50.71	289.51	2.49	-48.22
CCCC(NC(=O)CCC[N+](=O)[O-])C1=NN=N[N-]1	REAL250004607089	1	33	-1.0	-50.74	289.56	2.50	-48.24
CCCC(NC(=O)[C@H](C)CC1CCCCC1)C1=N[N-]N=N1	REAL250004607090	0	47	-1.0	-47.61	356.56	5.85	-41.76
CCCC(NC(=O)[C@H](C)CC1CCCCC1)C1=NN=N[N-]1	REAL250004607090	1	47	-1.0	-47.61	356.61	5.87	-41.74
CCCC(NC(=O)COCC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004607091	0	38	-1.0	-49.57	329.59	2.85	-46.72
CCCC(NC(=O)COCC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004607091	1	38	-1.0	-49.55	329.64	2.88	-46.67
CCCC(NC(=O)C1=CN(CCC)N=C1C)C1=N[N-]N=N1	REAL250004607092	0	41	-1.0	-49.20	340.46	3.59	-45.61
CCCC(NC(=O)C1=CN(CCC)N=C1C)C1=NN=N[N-]1	REAL250004607092	1	41	-1.0	-49.20	340.52	3.61	-45.59
CCCC(NC(=O)C1=C(C)N(CCC)N=C1)C1=N[N-]N=N1	REAL250004607093	0	41	-1.0	-46.54	338.17	3.47	-43.07
CCCC(NC(=O)C1=C(C)N(CCC)N=C1)C1=NN=N[N-]1	REAL250004607093	1	41	-1.0	-46.56	338.23	3.49	-43.07
CCCC(NC(=O)C#CC1CCCCC1)C1=N[N-]N=N1	REAL250004607094	0	40	-1.0	-45.57	329.94	5.24	-40.33
CCCC(NC(=O)C#CC1CCCCC1)C1=NN=N[N-]1	REAL250004607094	1	40	-1.0	-45.56	329.99	5.26	-40.30
CCCC(NC(=O)C1=C(Cl)C=NN1)C1=N[N-]N=N1	REAL250004607095	0	29	-1.0	-43.52	271.13	0.62	-42.90
CCCC(NC(=O)C1=C(Cl)C=NN1)C1=NN=N[N-]1	REAL250004607095	1	29	-1.0	-43.50	271.19	0.64	-42.86
CCCC(NC(=O)C(O)C1(O)CCC1)C1=N[N-]N=N1	REAL250004607096	0	37	-1.0	-48.04	303.92	-1.69	-49.73
CCCC(NC(=O)C(O)C1(O)CCC1)C1=NN=N[N-]1	REAL250004607096	1	37	-1.0	-48.05	303.98	-1.68	-49.73
CCCC(NC(=O)C(F)(F)C(C)O)C1=NN=N[N-]1	REAL250004607098	0	32	-1.0	-41.61	279.16	0.38	-41.23
CCCC(NC(=O)C(F)(F)C(C)O)C1=N[N-]N=N1	REAL250004607098	1	32	-1.0	-41.62	279.10	0.36	-41.26
CCCC(NC(=O)C(C)CN1C=CN=C1)C1=N[N-]N=N1	REAL250004607099	0	38	-1.0	-43.70	316.63	4.38	-39.32
CCCC(NC(=O)C(C)CN1C=CN=C1)C1=NN=N[N-]1	REAL250004607099	1	38	-1.0	-43.71	316.69	4.40	-39.31
CCCC(NC(=O)N1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004607100	0	38	-1.0	-47.47	316.98	4.65	-42.82
CCCC(NC(=O)N1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004607100	1	38	-1.0	-47.48	317.03	4.67	-42.81
CCCC(NC(=O)C(CC)C(C)C)C1=N[N-]N=N1	REAL250004607101	0	40	-1.0	-46.82	315.45	3.88	-42.94
CCCC(NC(=O)C(CC)C(C)C)C1=NN=N[N-]1	REAL250004607101	1	40	-1.0	-46.85	315.51	3.90	-42.95
CCCC(NC(=O)C1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL250004607102	0	35	-1.0	-51.07	299.52	3.72	-47.35
CCCC(NC(=O)C1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL250004607102	1	35	-1.0	-51.07	299.46	3.71	-47.36
CCCC(NC(=O)C1CC(C)(C(=O)OC)C1)C1=N[N-]N=N1	REAL250004607103	0	41	-1.0	-47.86	339.75	3.76	-44.10
CCCC(NC(=O)C1CC(C)(C(=O)OC)C1)C1=NN=N[N-]1	REAL250004607103	1	41	-1.0	-47.88	339.80	3.77	-44.11
CCCC(NC(=O)C1=COC2=C1COC2)C1=N[N-]N=N1	REAL250004607104	0	34	-1.0	-49.29	293.78	1.04	-48.25
CCCC(NC(=O)C1=COC2=C1COC2)C1=NN=N[N-]1	REAL250004607104	1	34	-1.0	-49.29	293.84	1.06	-48.23
CCCC(NC(=O)CC1=NN=CN1C(C)C)C1=N[N-]N=N1	REAL250004607105	0	40	-1.0	-50.60	334.78	4.45	-46.15
CCCC(NC(=O)CC1=NN=CN1C(C)C)C1=NN=N[N-]1	REAL250004607105	1	40	-1.0	-50.59	334.84	4.47	-46.12
CCCC(NC(=O)CN1C=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004607106	0	33	-1.0	-54.71	300.46	2.19	-52.52
CCCC(NC(=O)CN1C=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004607106	1	33	-1.0	-54.72	300.42	2.17	-52.55
CCCC(NC(=O)CCC1=CON=C1)C1=NN=N[N-]1	REAL250004607107	0	34	-1.0	-44.80	295.36	2.51	-42.29
CCCC(NC(=O)CCC1=CON=C1)C1=N[N-]N=N1	REAL250004607107	1	34	-1.0	-44.81	295.30	2.50	-42.31
CCCC(NC(=O)C1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL250004607108	0	35	-1.0	-50.66	299.25	1.89	-48.77
CCCC(NC(=O)C1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL250004607108	1	35	-1.0	-50.67	299.31	1.90	-48.77
CCCC(NC(=O)C1C2CCOCC21)C1=N[N-]N=N1	REAL250004607109	0	37	-1.0	-49.65	292.38	3.63	-46.02
CCCC(NC(=O)C1C2CCOCC21)C1=NN=N[N-]1	REAL250004607109	1	37	-1.0	-49.63	292.44	3.63	-46.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004607110	0	38	-1.0	-45.86	321.88	3.89	-41.97
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004607110	1	38	-1.0	-45.82	321.94	3.90	-41.92
CCCC(NC(=O)C(F)(F)CC1CC1)C1=N[N-]N=N1	REAL250004607111	0	35	-1.0	-40.66	302.64	3.78	-36.88
CCCC(NC(=O)C(F)(F)CC1CC1)C1=NN=N[N-]1	REAL250004607111	1	35	-1.0	-40.64	302.70	3.79	-36.85
CCCC(NC(=O)C#CC1CCCO1)C1=N[N-]N=N1	REAL250004607112	0	35	-1.0	-46.10	303.03	2.25	-43.85
CCCC(NC(=O)C#CC1CCCO1)C1=NN=N[N-]1	REAL250004607112	1	35	-1.0	-46.09	303.09	2.27	-43.82
CCCC(NC(=O)CC1=CC(OC)=NO1)C1=N[N-]N=N1	REAL250004607113	0	35	-1.0	-50.78	306.85	-0.10	-50.88
CCCC(NC(=O)CC1=CC(OC)=NO1)C1=NN=N[N-]1	REAL250004607113	1	35	-1.0	-50.76	306.91	-0.09	-50.85
CCCC(NC(=O)C1=C(CC)OC(C)=C1)C1=N[N-]N=N1	REAL250004607114	0	38	-1.0	-45.82	319.36	4.00	-41.82
CCCC(NC(=O)C1=C(CC)OC(C)=C1)C1=NN=N[N-]1	REAL250004607114	1	38	-1.0	-45.81	319.42	4.02	-41.79
CCCC(NC(=O)C1=CC=C(Cl)N1)C1=N[N-]N=N1	REAL250004607115	0	30	-1.0	-43.23	278.47	1.81	-41.42
CCCC(NC(=O)C1=CC=C(Cl)N1)C1=NN=N[N-]1	REAL250004607115	1	30	-1.0	-43.23	278.53	1.83	-41.40
CCCC(NC(=O)C1=CC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004607116	0	36	-1.0	-48.02	302.85	2.58	-45.44
CCCC(NC(=O)C1=CC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004607116	1	36	-1.0	-48.00	302.91	2.60	-45.40
CCCC(NC(=O)C1=C(C)OC(CC)=C1)C1=N[N-]N=N1	REAL250004607117	0	38	-1.0	-45.51	319.36	4.00	-41.51
CCCC(NC(=O)C1=C(C)OC(CC)=C1)C1=NN=N[N-]1	REAL250004607117	1	38	-1.0	-45.49	319.42	4.02	-41.47
CCCC(NC(=O)C1(F)CCOC1C)C1=N[N-]N=N1	REAL250004607118	0	36	-1.0	-43.40	290.33	1.59	-41.81
CCCC(NC(=O)C1(F)CCOC1C)C1=NN=N[N-]1	REAL250004607118	1	36	-1.0	-43.37	290.39	1.60	-41.77
CCCC(NC(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004607119	0	39	-1.0	-54.82	331.68	3.41	-51.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004607119	1	39	-1.0	-54.83	331.73	3.42	-51.41
CCCC(NC(=O)C1CCCC2=C1NC=N2)C1=N[N-]N=N1	REAL250004607120	0	39	-1.0	-45.83	312.08	3.90	-41.93
CCCC(NC(=O)C1CCCC2=C1NC=N2)C1=NN=N[N-]1	REAL250004607120	1	39	-1.0	-45.86	312.14	3.92	-41.94
CCCC(NC(=O)C1CCN2N=CN=C2C1)C1=N[N-]N=N1	REAL250004607121	0	38	-1.0	-46.51	314.61	3.61	-42.90
CCCC(NC(=O)C1CCN2N=CN=C2C1)C1=NN=N[N-]1	REAL250004607121	1	38	-1.0	-46.51	314.67	3.62	-42.89
CCCC(NC(=O)C(OC)C1CCCOC1)C1=N[N-]N=N1	REAL250004607122	0	43	-1.0	-46.03	342.78	2.31	-43.72
CCCC(NC(=O)C(OC)C1CCCOC1)C1=NN=N[N-]1	REAL250004607122	1	43	-1.0	-45.99	342.84	2.32	-43.67
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL250004607123	0	39	-1.0	-51.85	327.97	5.40	-46.45
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL250004607123	1	39	-1.0	-51.84	327.91	5.39	-46.45
CCCC(NC(=O)CCCC(C)(C)CC)C1=N[N-]N=N1	REAL250004607124	0	46	-1.0	-45.17	351.36	5.05	-40.12
CCCC(NC(=O)CCCC(C)(C)CC)C1=NN=N[N-]1	REAL250004607124	1	46	-1.0	-45.14	351.42	5.07	-40.07
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004607125	0	42	-1.0	-47.49	348.24	6.32	-41.17
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004607125	1	42	-1.0	-47.46	348.29	6.34	-41.12
CCCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C(C)O1	REAL250004607126	0	41	-1.0	-45.23	340.86	4.78	-40.45
CCCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C(C)O1	REAL250004607126	1	41	-1.0	-45.23	340.92	4.80	-40.43
CCCC(NC(=O)C1=C2C(=CC=N1)C=CN2C)C1=NN=N[N-]1	REAL250004607127	0	38	-1.0	-46.00	321.56	3.13	-42.87
CCCC(NC(=O)C1=C2C(=CC=N1)C=CN2C)C1=N[N-]N=N1	REAL250004607127	1	38	-1.0	-45.96	321.48	3.12	-42.84
CCCC(NC(=O)C1=C(CC)N=CO1)C1=N[N-]N=N1	REAL250004607128	0	34	-1.0	-45.11	292.76	-0.31	-45.42
CCCC(NC(=O)C1=C(CC)N=CO1)C1=NN=N[N-]1	REAL250004607128	1	34	-1.0	-45.13	292.82	-0.30	-45.43
CCCC(NC(=O)C1=CCCS1)C1=N[N-]N=N1	REAL250004607129	0	31	-1.0	-46.91	276.01	2.85	-44.06
CCCC(NC(=O)C1=CCCS1)C1=NN=N[N-]1	REAL250004607129	1	31	-1.0	-46.90	276.06	2.86	-44.04
CCCC(NC(=O)C=C(C)C(C)C)C1=N[N-]N=N1	REAL250004607130	0	38	-1.0	-44.69	306.46	3.87	-40.82
CCCC(NC(=O)C=C(C)C(C)C)C1=NN=N[N-]1	REAL250004607130	1	38	-1.0	-44.70	306.52	3.88	-40.82
CCCC(NC(=O)C1=CC2=NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004607131	0	36	-1.0	-49.54	310.67	2.13	-47.41
CCCC(NC(=O)C1=CC2=NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004607131	1	36	-1.0	-49.57	310.61	2.12	-47.45
CCCC(NC(=O)C1=C(C)SC=N1)C1=NN=N[N-]1	REAL250004607132	0	31	-1.0	-46.93	278.65	1.44	-45.49
CCCC(NC(=O)C1=C(C)SC=N1)C1=N[N-]N=N1	REAL250004607132	1	31	-1.0	-46.94	278.59	1.42	-45.52
CCCC(NC(=O)C1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL250004607133	0	32	-1.0	-43.88	288.13	3.28	-40.60
CCCC(NC(=O)C1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL250004607133	1	32	-1.0	-43.88	288.08	3.26	-40.62
CCCC(NC(=O)C(SC)C(C)C)C1=N[N-]N=N1	REAL250004607134	0	38	-1.0	-45.28	317.86	3.50	-41.78
CCCC(NC(=O)C(SC)C(C)C)C1=NN=N[N-]1	REAL250004607134	1	38	-1.0	-45.28	317.92	3.51	-41.77
CCCC(NC(=O)C1=CN=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL250004607135	0	34	-1.0	-42.97	303.40	-3.11	-46.08
CCCC(NC(=O)C1=CN=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL250004607135	1	34	-1.0	-42.98	303.34	-3.13	-46.11
CCCC(NC(=O)C1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL250004607136	0	37	-1.0	-45.23	312.70	3.07	-42.16
CCCC(NC(=O)C1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL250004607136	1	37	-1.0	-45.25	312.76	3.08	-42.17
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004607137	0	38	-1.0	-44.72	321.26	4.91	-39.81
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004607137	1	38	-1.0	-44.70	321.31	4.93	-39.77
CCCC(NC(=O)C1CCCC2=NC=NN21)C1=N[N-]N=N1	REAL250004607138	0	38	-1.0	-45.31	312.66	4.02	-41.29
CCCC(NC(=O)C1CCCC2=NC=NN21)C1=NN=N[N-]1	REAL250004607138	1	38	-1.0	-45.23	312.72	4.04	-41.19
CCCC(NC(=O)CC1(O)CCCOC1)C1=N[N-]N=N1	REAL250004607139	0	40	-1.0	-49.94	317.99	0.37	-49.57
CCCC(NC(=O)CC1(O)CCCOC1)C1=NN=N[N-]1	REAL250004607139	1	40	-1.0	-49.94	318.05	0.39	-49.55
CCCC(NC(=O)C1=C(C#N)C=NN1)C1=N[N-]N=N1	REAL250004607140	0	30	-1.0	-47.43	275.99	0.33	-47.10
CCCC(NC(=O)C1=C(C#N)C=NN1)C1=NN=N[N-]1	REAL250004607140	1	30	-1.0	-47.42	276.05	0.34	-47.08
CCCC(NC(=O)C1=NNC=C1C#N)C1=NN=N[N-]1	REAL250004607140	1	30	-1.0	-55.18	277.46	0.57	-54.61
CCCC(NC(=O)C1=NNC=C1C#N)C1=N[N-]N=N1	REAL250004607140	1	30	-1.0	-55.19	277.41	0.55	-54.64
CCCC(NC(=O)C=CC1=COC=N1)C1=N[N-]N=N1	REAL250004607141	0	32	-1.0	-48.70	286.75	-0.36	-49.06
CCCC(NC(=O)C=CC1=COC=N1)C1=NN=N[N-]1	REAL250004607141	1	32	-1.0	-48.72	286.81	-0.34	-49.06
CCCC(NC(=O)CCC1=NNC=C1)C1=N[N-]N=N1	REAL250004607142	0	35	-1.0	-48.67	300.17	1.47	-47.20
CCCC(NC(=O)CCC1=NNC=C1)C1=NN=N[N-]1	REAL250004607142	1	35	-1.0	-48.65	300.23	1.49	-47.16
CCCC(NC(=O)C(F)(F)C1=NC=CN1C)C1=NN=N[N-]1	REAL250004607143	0	35	-1.0	-49.71	307.77	3.28	-46.43
CCCC(NC(=O)C(F)(F)C1=NC=CN1C)C1=N[N-]N=N1	REAL250004607143	1	35	-1.0	-49.69	307.71	3.26	-46.43
CCCC(NC(=O)C1=CNC=C1CC)C1=N[N-]N=N1	REAL250004607144	0	36	-1.0	-52.23	302.03	2.93	-49.30
CCCC(NC(=O)C1=CNC=C1CC)C1=NN=N[N-]1	REAL250004607144	1	36	-1.0	-52.23	302.09	2.94	-49.29
CCCC(NC(=O)CC1(O)CCOC1)C1=N[N-]N=N1	REAL250004607145	0	37	-1.0	-45.87	299.45	-0.66	-46.53
CCCC(NC(=O)CC1(O)CCOC1)C1=NN=N[N-]1	REAL250004607145	1	37	-1.0	-45.87	299.50	-0.65	-46.52
CCCC(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004607146	0	36	-1.0	-45.51	307.76	1.37	-44.14
CCCC(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004607146	1	36	-1.0	-45.50	307.82	1.39	-44.11
CCCC(NC(=O)C=CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004607147	0	37	-1.0	-45.06	322.40	1.16	-43.90
CCCC(NC(=O)C=CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004607147	1	37	-1.0	-45.07	322.46	1.18	-43.89
CCCC(NC(=O)C(C)N1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004607148	0	38	-1.0	-47.27	319.57	2.90	-44.37
CCCC(NC(=O)C(C)N1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004607148	1	38	-1.0	-47.28	319.52	2.89	-44.39
CCCC(NC(=O)C=CC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004607149	0	35	-1.0	-46.29	310.13	2.98	-43.31
CCCC(NC(=O)C=CC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004607149	1	35	-1.0	-46.32	310.19	3.00	-43.32
CCCC(NC(=O)COC1=NOC=C1)C1=NN=N[N-]1	REAL250004607150	0	32	-1.0	-49.67	285.79	0.32	-49.35
CCCC(NC(=O)COC1=NOC=C1)C1=N[N-]N=N1	REAL250004607150	1	32	-1.0	-49.68	285.73	0.30	-49.38
CCCC(NC(=O)C1=CC2=NC=NN2C=C1)C1=NN=N[N-]1	REAL250004607152	0	34	-1.0	-48.30	296.37	4.05	-44.25
CCCC(NC(=O)C1=CC2=NC=NN2C=C1)C1=N[N-]N=N1	REAL250004607152	1	34	-1.0	-48.32	296.32	4.04	-44.28
CCCC(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=N[N-]N=N1	REAL250004607153	0	40	-1.0	-49.47	308.08	2.33	-47.14
CCCC(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=NN=N[N-]1	REAL250004607153	1	40	-1.0	-49.47	308.14	2.34	-47.13
CCCC(NC(=O)CC1(CO)CCC1)C1=N[N-]N=N1	REAL250004607154	0	39	-1.0	-45.25	312.26	0.48	-44.77
CCCC(NC(=O)CC1(CO)CCC1)C1=NN=N[N-]1	REAL250004607154	1	39	-1.0	-45.25	312.32	0.49	-44.76
CCCC(NC(=O)C1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL250004607155	0	35	-1.0	-47.92	308.23	4.80	-43.12
CCCC(NC(=O)C1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL250004607155	1	35	-1.0	-47.91	308.28	4.82	-43.09
CCCC(NC(=O)C(CC)CCOC)C1=N[N-]N=N1	REAL250004607156	0	41	-1.0	-47.59	326.07	2.19	-45.40
CCCC(NC(=O)C(CC)CCOC)C1=NN=N[N-]1	REAL250004607156	1	41	-1.0	-47.63	326.12	2.21	-45.42
CCCC(NC(=O)C1=CN=C(N)N=C1C)C1=N[N-]N=N1	REAL250004607157	0	35	-1.0	-44.38	295.91	1.66	-42.72
CCCC(NC(=O)C1=CN=C(N)N=C1C)C1=NN=N[N-]1	REAL250004607157	1	35	-1.0	-44.36	295.97	1.68	-42.68
CCCC(NC(=O)C1=CC=C(F)C(O)=C1F)C1=N[N-]N=N1	REAL250004607158	1	33	-1.0	-49.70	295.86	0.92	-48.78
CCCC(NC(=O)C1=CC=C(F)C(O)=C1F)C1=NN=N[N-]1	REAL250004607158	1	33	-1.0	-49.66	295.92	0.94	-48.72
CCCC(NC(=O)CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004607159	0	35	-1.0	-49.04	299.18	1.80	-47.24
CCCC(NC(=O)CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004607159	1	35	-1.0	-49.02	299.24	1.82	-47.20
CCCC(NC(=O)C#CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004607160	0	38	-1.0	-47.14	323.04	2.83	-44.31
CCCC(NC(=O)C#CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004607160	1	38	-1.0	-47.12	323.10	2.84	-44.28
CCCC(NC(=O)C1CSC(=O)N1)C1=N[N-]N=N1	REAL250004607161	0	31	-1.0	-49.69	280.64	-0.93	-50.62
CCCC(NC(=O)C1CSC(=O)N1)C1=NN=N[N-]1	REAL250004607161	1	31	-1.0	-49.67	280.70	-0.92	-50.59
CCCC(NC(=O)C1=CC(C(N)=O)=NN1)C1=N[N-]N=N1	REAL250004607162	0	33	-1.0	-47.56	294.62	-3.27	-50.83
CCCC(NC(=O)C1=NNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004607162	1	33	-1.0	-51.76	294.62	-3.26	-55.02
CCCC(NC(=O)C1=CC(C(N)=O)=NN1)C1=NN=N[N-]1	REAL250004607162	1	33	-1.0	-47.56	294.68	-3.25	-50.81
CCCC(NC(=O)C1=NNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004607162	1	33	-1.0	-51.78	294.68	-3.24	-55.02
CCCC(NC(=O)CC1CC(O)C1(C)C)C1=N[N-]N=N1	REAL250004607163	0	42	-1.0	-49.56	333.17	1.13	-48.43
CCCC(NC(=O)CC1CC(O)C1(C)C)C1=NN=N[N-]1	REAL250004607163	1	42	-1.0	-49.59	333.23	1.14	-48.45
CCCC(NC(=O)C1=CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004607164	0	38	-1.0	-46.62	314.85	2.41	-44.21
CCCC(NC(=O)C1=CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004607164	1	38	-1.0	-46.60	314.91	2.43	-44.17
CCCC(NC(=O)C1=CC=NN1CCF)C1=NN=N[N-]1	REAL250004607165	0	35	-1.0	-43.32	302.97	2.37	-40.95
CCCC(NC(=O)C1=CC=NN1CCF)C1=N[N-]N=N1	REAL250004607165	1	35	-1.0	-43.37	302.91	2.37	-41.00
CCCC(NC(=O)C1=C(CC)SC=N1)C1=NN=N[N-]1	REAL250004607166	0	34	-1.0	-47.03	300.13	2.20	-44.83
CCCC(NC(=O)C1=C(CC)SC=N1)C1=N[N-]N=N1	REAL250004607166	1	34	-1.0	-47.05	300.07	2.19	-44.86
CCCC(NC(=O)C1=CN=C2SC=CN12)C1=NN=N[N-]1	REAL250004607167	0	32	-1.0	-49.03	289.32	3.25	-45.78
CCCC(NC(=O)CCC1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004607168	0	37	-1.0	-45.20	327.02	3.04	-42.16
CCCC(NC(=O)CCC1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004607168	1	37	-1.0	-45.22	327.08	3.06	-42.16
CCCC(NC(=O)C1=C(C)OCC1)C1=N[N-]N=N1	REAL250004607169	0	34	-1.0	-45.17	282.50	1.98	-43.19
CCCC(NC(=O)C1=C(C)OCC1)C1=NN=N[N-]1	REAL250004607169	1	34	-1.0	-45.17	282.56	1.99	-43.18
CCCC(NC(=O)C1=NN(CCC)C=C1)C1=NN=N[N-]1	REAL250004607170	0	38	-1.0	-50.20	322.78	3.03	-47.17
CCCC(NC(=O)C1=NN(CCC)C=C1)C1=N[N-]N=N1	REAL250004607170	1	38	-1.0	-50.25	322.73	3.01	-47.24
CCCC(NC(=O)C1=NC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004607171	0	31	-1.0	-45.87	290.53	2.36	-43.51
CCCC(NC(=O)C1=NC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004607171	1	31	-1.0	-45.85	290.47	2.35	-43.50
CCCC(NC(=O)C1=CC=NN1C(C)CC)C1=NN=N[N-]1	REAL250004607172	0	41	-1.0	-43.85	334.53	3.57	-40.28
CCCC(NC(=O)C1=CC=NN1C(C)CC)C1=N[N-]N=N1	REAL250004607172	1	41	-1.0	-43.83	334.47	3.56	-40.27
CCCC(NC(=O)[C@H](C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004607173	0	34	-1.0	-42.05	292.57	2.98	-39.07
CCCC(NC(=O)[C@H](C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004607173	1	34	-1.0	-42.06	292.63	3.00	-39.06
CCCC(NC(=O)C1=CC=CN1CC)C1=N[N-]N=N1	REAL250004607174	0	36	-1.0	-46.16	300.43	3.94	-42.22
CCCC(NC(=O)C1=CC=CN1CC)C1=NN=N[N-]1	REAL250004607174	1	36	-1.0	-46.18	300.49	3.96	-42.22
CCCC(NC(=O)C1=CC=C(O)C(C)=C1C)C1=N[N-]N=N1	REAL250004607175	0	39	-1.0	-46.39	316.81	2.08	-44.31
CCCC(NC(=O)C1=CC=C(O)C(C)=C1C)C1=NN=N[N-]1	REAL250004607175	1	39	-1.0	-46.37	316.87	2.09	-44.28
CCCC(NC(=O)C(C)=CN1C=CN=N1)C1=N[N-]N=N1	REAL250004607176	0	35	-1.0	-45.65	298.48	2.18	-43.47
CCCC(NC(=O)C(C)=CN1C=CN=N1)C1=NN=N[N-]1	REAL250004607176	1	35	-1.0	-45.65	298.54	2.19	-43.46
CCCC(NC(=O)C(F)=CC1CC1)C1=N[N-]N=N1	REAL250004607177	0	33	-1.0	-41.79	289.00	3.55	-38.24
CCCC(NC(=O)C(F)=CC1CC1)C1=NN=N[N-]1	REAL250004607177	1	33	-1.0	-41.80	289.06	3.57	-38.23
CCCC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004607178	0	36	-1.0	-43.55	303.19	4.07	-39.48
CCCC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004607178	1	36	-1.0	-43.60	303.25	4.09	-39.51
CCCC(NC(=O)C1=CC2=C(CCCC2)O1)C1=N[N-]N=N1	REAL250004607179	0	39	-1.0	-46.15	322.04	4.32	-41.83
CCCC(NC(=O)C1=CC2=C(CCCC2)O1)C1=NN=N[N-]1	REAL250004607179	1	39	-1.0	-46.11	322.10	4.33	-41.78
CCCC(NC(=O)C1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL250004607180	0	39	-1.0	-54.77	328.14	4.29	-50.48
CCCC(NC(=O)C1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL250004607180	1	39	-1.0	-54.78	328.08	4.28	-50.50
CCCC(NC(=O)C1=C(C)N=CN1C)C1=N[N-]N=N1	REAL250004607181	0	35	-1.0	-49.56	301.13	3.24	-46.32
CCCC(NC(=O)C1=C(C)N=CN1C)C1=NN=N[N-]1	REAL250004607181	1	35	-1.0	-49.56	301.19	3.26	-46.30
CCCC(NC(=O)C1=CC(OC)=NN1)C1=N[N-]N=N1	REAL250004607182	0	33	-1.0	-43.19	289.68	-2.11	-45.30
CCCC(NC(=O)C1=CC(OC)=NN1)C1=NN=N[N-]1	REAL250004607182	1	33	-1.0	-43.14	289.73	-2.10	-45.24
CCCC(NC(=O)C1NC(=O)CC1C)C1=N[N-]N=N1	REAL250004607183	0	36	-1.0	-49.01	301.73	-0.20	-49.21
CCCC(NC(=O)C1NC(=O)CC1C)C1=NN=N[N-]1	REAL250004607183	1	36	-1.0	-49.02	301.79	-0.18	-49.20
CCCC(NC(=O)C1CCC(=O)C(CC)C1)C1=N[N-]N=N1	REAL250004607184	0	43	-1.0	-44.70	333.00	4.18	-40.52
CCCC(NC(=O)C1CCC(=O)C(CC)C1)C1=NN=N[N-]1	REAL250004607184	1	43	-1.0	-44.69	333.06	4.20	-40.49
CCCC(NC(=O)C1=CC(COC)=NO1)C1=N[N-]N=N1	REAL250004607185	0	35	-1.0	-42.37	307.87	0.74	-41.63
CCCC(NC(=O)C1=CC(COC)=NO1)C1=NN=N[N-]1	REAL250004607185	1	35	-1.0	-42.37	307.93	0.76	-41.61
CCCC(NC(=O)C(F)(F)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004607186	0	34	-1.0	-41.43	303.55	2.62	-38.81
CCCC(NC(=O)C(F)(F)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004607186	1	34	-1.0	-41.41	303.49	2.61	-38.80
CCCC(NC(=O)C1CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004607187	0	40	-1.0	-46.10	321.44	2.45	-43.65
CCCC(NC(=O)C1CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004607187	1	40	-1.0	-46.11	321.50	2.46	-43.65
CCCC(NC(=O)C1=CC=C2CCCC2=N1)C1=N[N-]N=N1	REAL250004607188	0	38	-1.0	-48.16	317.02	3.75	-44.41
CCCC(NC(=O)C1=CC=C2CCCC2=N1)C1=NN=N[N-]1	REAL250004607188	1	38	-1.0	-48.22	317.08	3.77	-44.45
CCCC(NC(=O)C1CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004607189	0	42	-1.0	-50.58	344.57	3.82	-46.76
CCCC(NC(=O)C1CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004607189	1	42	-1.0	-50.60	344.63	3.84	-46.76
CCCC(NC(=O)C1=COC2=C1CCCC2)C1=N[N-]N=N1	REAL250004607190	0	39	-1.0	-49.57	319.44	4.30	-45.27
CCCC(NC(=O)C1=COC2=C1CCCC2)C1=NN=N[N-]1	REAL250004607190	1	39	-1.0	-49.58	319.50	4.31	-45.27
CCCC(NC(=O)C1CC(CC)(CC)C1)C1=N[N-]N=N1	REAL250004607191	0	44	-1.0	-46.28	340.71	4.92	-41.36
CCCC(NC(=O)C1CC(CC)(CC)C1)C1=NN=N[N-]1	REAL250004607191	1	44	-1.0	-46.27	340.76	4.93	-41.34
CCCC(NC(=O)C1=CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004607192	0	40	-1.0	-41.59	335.66	3.52	-38.07
CCCC(NC(=O)C1=CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004607192	1	40	-1.0	-41.57	335.61	3.51	-38.06
CCCC(NC(=O)CN1N=CN=N1)C1=NN=N[N-]1	REAL250004607193	0	30	-1.0	-51.44	269.29	0.49	-50.95
CCCC(NC(=O)CN1N=CN=N1)C1=N[N-]N=N1	REAL250004607193	1	30	-1.0	-51.41	269.24	0.48	-50.93
CCCC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=N[N-]N=N1	REAL250004607194	0	42	-1.0	-49.02	326.98	4.93	-44.09
CCCC(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=NN=N[N-]1	REAL250004607194	1	42	-1.0	-49.08	327.04	4.95	-44.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004607195	0	38	-1.0	-53.37	322.20	3.82	-49.55
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004607195	1	38	-1.0	-53.39	322.26	3.83	-49.56
CCCC(NC(=O)CCC=C(C)C)C1=N[N-]N=N1	REAL250004607196	0	38	-1.0	-44.66	312.62	4.08	-40.58
CCCC(NC(=O)CCC=C(C)C)C1=NN=N[N-]1	REAL250004607196	1	38	-1.0	-44.67	312.68	4.10	-40.57
CCCC(NC(=O)C1=CN=CC=C1OC)C1=N[N-]N=N1	REAL250004607197	0	35	-1.0	-50.11	296.94	2.36	-47.75
CCCC(NC(=O)C1=CN=CC=C1OC)C1=NN=N[N-]1	REAL250004607197	1	35	-1.0	-50.10	297.00	2.38	-47.72
CCCC(NC(=O)CCCOC(C)=O)C1=N[N-]N=N1	REAL250004607198	0	37	-1.0	-48.37	317.44	3.06	-45.31
CCCC(NC(=O)CCCOC(C)=O)C1=NN=N[N-]1	REAL250004607198	1	37	-1.0	-48.36	317.50	3.08	-45.28
CCCC(NC(=O)C(CC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL250004607199	0	44	-1.0	-58.88	350.34	3.07	-55.81
CCCC(NC(=O)C(CC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL250004607199	1	44	-1.0	-58.88	350.40	3.09	-55.79
CCCC(NC(=O)CCC1=NC(C)=C(C)O1)C1=N[N-]N=N1	REAL250004607200	0	40	-1.0	-46.84	338.89	1.23	-45.61
CCCC(NC(=O)CCC1=NC(C)=C(C)O1)C1=NN=N[N-]1	REAL250004607200	1	40	-1.0	-46.88	338.95	1.25	-45.63
CCCC(NC(=O)C1=CN(C2COC2)N=N1)C1=NN=N[N-]1	REAL250004607201	0	36	-1.0	-45.69	311.53	-0.96	-46.65
CCCC(NC(=O)C1=CN(C2COC2)N=N1)C1=N[N-]N=N1	REAL250004607201	1	36	-1.0	-45.71	311.47	-0.98	-46.69
CCCC(NC(=O)C1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL250004607202	0	35	-1.0	-49.07	307.88	2.41	-46.66
CCCC(NC(=O)C1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL250004607202	1	35	-1.0	-49.06	307.82	2.40	-46.66
CCCC(NC(=O)CCC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004607203	0	37	-1.0	-46.77	321.64	3.28	-43.49
CCCC(NC(=O)CCC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004607203	1	37	-1.0	-46.78	321.58	3.26	-43.52
CCCC(NC(=O)CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004607204	0	34	-1.0	-47.28	305.62	2.27	-45.01
CCCC(NC(=O)CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004607204	1	34	-1.0	-47.28	305.68	2.28	-45.00
CCCC(NC(=O)C=CC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004607205	0	39	-1.0	-48.01	332.87	2.86	-45.15
CCCC(NC(=O)C=CC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004607205	1	39	-1.0	-48.00	332.93	2.87	-45.13
CCCC(NC(=O)C(=O)N=S(C)(C)=O)C1=N[N-]N=N1	REAL250004607206	0	34	-1.0	-65.29	306.07	-1.93	-67.22
CCCC(NC(=O)C(=O)N=S(C)(C)=O)C1=NN=N[N-]1	REAL250004607206	1	34	-1.0	-65.35	306.13	-1.92	-67.27
CCCC(NC(=O)C#CC1CCC(=O)CC1)C1=N[N-]N=N1	REAL250004607207	0	39	-1.0	-50.27	332.75	4.35	-45.92
CCCC(NC(=O)C#CC1CCC(=O)CC1)C1=NN=N[N-]1	REAL250004607207	1	39	-1.0	-50.27	332.81	4.37	-45.90
CCCC(NC(=O)C(F)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004607208	0	34	-1.0	-45.06	301.42	2.92	-42.14
CCCC(NC(=O)C(F)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004607208	1	34	-1.0	-45.03	301.47	2.94	-42.09
CCCC(NC(=O)CCC1=NC(C)=CN1)C1=N[N-]N=N1	REAL250004607209	0	38	-1.0	-48.67	321.63	2.37	-46.30
CCCC(NC(=O)CCC1=NC(C)=CN1)C1=NN=N[N-]1	REAL250004607209	1	38	-1.0	-48.68	321.69	2.39	-46.29
CCCC(CC)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607211	0	43	-1.0	-45.12	330.97	4.62	-40.50
CCCC(CC)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607211	1	43	-1.0	-45.11	331.02	4.64	-40.47
CCCC(NC(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL250004607212	0	34	-1.0	-48.72	303.98	3.22	-45.50
CCCC(NC(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL250004607212	1	34	-1.0	-48.72	304.04	3.23	-45.49
CCCC(NC(=O)C1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL250004607213	0	38	-1.0	-51.61	324.39	4.61	-47.00
CCCC(NC(=O)C1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL250004607213	1	38	-1.0	-51.62	324.45	4.63	-46.99
CCCC(NC(=O)C1=COC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL250004607214	0	38	-1.0	-50.71	324.36	4.62	-46.09
CCCC(NC(=O)C1=COC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL250004607214	1	38	-1.0	-50.68	324.42	4.64	-46.04
CCCC(NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=N[N-]N=N1	REAL250004607215	0	40	-1.0	-53.31	332.48	-1.28	-54.59
CCCC(NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=NN=N[N-]1	REAL250004607215	1	40	-1.0	-53.37	332.54	-1.26	-54.63
CCCC(NC(=O)C1C(F)(F)C12CC2)C1=N[N-]N=N1	REAL250004607216	0	33	-1.0	-48.06	294.87	3.71	-44.35
CCCC(NC(=O)C1C(F)(F)C12CC2)C1=NN=N[N-]1	REAL250004607216	1	33	-1.0	-48.06	294.92	3.72	-44.34
CCCC(NC(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004607217	0	35	-1.0	-43.83	309.13	4.40	-39.43
CCCC(NC(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004607217	1	35	-1.0	-43.88	309.18	4.42	-39.46
C=CCOC(=O)NCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607218	0	37	-1.0	-43.61	323.17	-0.08	-43.69
C=CCOC(=O)NCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607218	1	37	-1.0	-43.61	323.23	-0.07	-43.68
CCCC(NC(=O)C1=C(COC)C=CO1)C1=N[N-]N=N1	REAL250004607219	0	36	-1.0	-45.47	310.77	1.45	-44.02
CCCC(NC(=O)C1=C(COC)C=CO1)C1=NN=N[N-]1	REAL250004607219	1	36	-1.0	-45.49	310.83	1.47	-44.02
CCCC(NC(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL250004607220	0	37	-1.0	-49.10	325.08	1.71	-47.39
CCCC(NC(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL250004607220	1	37	-1.0	-49.11	325.03	1.69	-47.42
CCCC(NC(=O)C1CC2C=CCC(C2)C1)C1=N[N-]N=N1	REAL250004607221	0	43	-1.0	-44.46	298.36	5.00	-39.46
CCCC(NC(=O)C1CC2C=CCC(C2)C1)C1=NN=N[N-]1	REAL250004607221	1	43	-1.0	-44.49	298.42	5.02	-39.47
CCCC(NC(=O)C1=CN=CC(OC)=C1)C1=NN=N[N-]1	REAL250004607222	0	35	-1.0	-46.34	298.91	1.12	-45.22
CCCC(NC(=O)C1=CN=CC(OC)=C1)C1=N[N-]N=N1	REAL250004607222	1	35	-1.0	-46.31	298.85	1.10	-45.21
CCCC(NC(=O)C[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004607223	0	34	-1.0	-48.46	290.06	-1.28	-49.74
CCCC(NC(=O)C[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004607223	1	34	-1.0	-48.45	290.12	-1.27	-49.72
CCCC(NC(=O)CC1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004607224	0	34	-1.0	-48.45	308.15	2.94	-45.51
CCCC(NC(=O)CC1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004607224	1	34	-1.0	-48.49	308.21	2.96	-45.53
CCCC(NC(=O)COC1CCCOC1)C1=N[N-]N=N1	REAL250004607225	0	40	-1.0	-47.82	326.47	1.91	-45.91
CCCC(NC(=O)COC1CCCOC1)C1=NN=N[N-]1	REAL250004607225	1	40	-1.0	-47.81	326.53	1.93	-45.88
CCCC(NC(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004607226	0	47	-1.0	-46.59	352.57	5.07	-41.52
CCCC(NC(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004607226	1	47	-1.0	-46.62	352.62	5.08	-41.54
CCCC(NC(=O)C(=O)NC(C)C)C1=N[N-]N=N1	REAL250004607227	0	35	-1.0	-41.37	298.30	-0.20	-41.57
CCCC(NC(=O)C(=O)NC(C)C)C1=NN=N[N-]1	REAL250004607227	1	35	-1.0	-41.33	298.36	-0.19	-41.52
CCCC(NC(=O)CCC1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL250004607228	0	41	-1.0	-49.74	342.62	3.25	-46.49
CCCC(NC(=O)CCC1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL250004607228	1	41	-1.0	-49.76	342.68	3.27	-46.49
CCCC(NC(=O)C1=NN(C)C(F)=C1)C1=NN=N[N-]1	REAL250004607229	0	32	-1.0	-45.03	286.44	1.37	-43.66
CCCC(NC(=O)C1=NN(C)C(F)=C1)C1=N[N-]N=N1	REAL250004607229	1	32	-1.0	-45.05	286.38	1.36	-43.69
CCCC(NC(=O)C1C(C)(C)C1(F)F)C1=N[N-]N=N1	REAL250004607230	0	35	-1.0	-41.91	295.97	3.39	-38.52
CCCC(NC(=O)C1C(C)(C)C1(F)F)C1=NN=N[N-]1	REAL250004607230	1	35	-1.0	-41.87	296.03	3.41	-38.46
CCCC(NC(=O)C(F)CC1CC1)C1=N[N-]N=N1	REAL250004607231	0	35	-1.0	-43.01	298.59	3.67	-39.34
CCCC(NC(=O)C(F)CC1CC1)C1=NN=N[N-]1	REAL250004607231	1	35	-1.0	-43.02	298.64	3.69	-39.33
CCCC(NC(=O)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004607232	0	30	-1.0	-46.37	283.98	1.61	-44.76
CCCC(NC(=O)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004607232	1	30	-1.0	-46.33	283.92	1.59	-44.74
CCCC(NC(=O)C(C)S(N)(=O)=O)C1=N[N-]N=N1	REAL250004607233	0	33	-1.0	-56.12	291.79	-3.59	-59.71
CCCC(NC(=O)C(C)S(N)(=O)=O)C1=NN=N[N-]1	REAL250004607233	1	33	-1.0	-56.10	291.84	-3.58	-59.68
CCCC(NC(=O)C=CC1=NC(C)=CN1)C1=N[N-]N=N1	REAL250004607234	0	36	-1.0	-48.08	313.16	2.34	-45.74
CCCC(NC(=O)C=CC1=NC(C)=CN1)C1=NN=N[N-]1	REAL250004607234	1	36	-1.0	-48.05	313.21	2.36	-45.69
CCCC(NC(=O)C(O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004607235	0	45	-1.0	-45.35	339.84	2.87	-42.48
CCCC(NC(=O)C(O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004607235	1	45	-1.0	-45.34	339.89	2.88	-42.46
CCCC(NC(=O)CC(CC)C1CC1)C1=N[N-]N=N1	REAL250004607236	0	41	-1.0	-44.71	326.69	4.80	-39.91
CCCC(NC(=O)CC(CC)C1CC1)C1=NN=N[N-]1	REAL250004607236	1	41	-1.0	-44.72	326.74	4.81	-39.91
CCCC(NC(=O)C1=CC2(C1)CCOCC2)C1=N[N-]N=N1	REAL250004607237	0	41	-1.0	-46.03	333.84	3.20	-42.83
CCCC(NC(=O)C1=CC2(C1)CCOCC2)C1=NN=N[N-]1	REAL250004607237	1	41	-1.0	-46.03	333.90	3.21	-42.82
CCCC(NC(=O)C(CC)N1C=CC=N1)C1=NN=N[N-]1	REAL250004607238	0	38	-1.0	-43.70	314.99	3.02	-40.68
CCCC(NC(=O)C(CC)N1C=CC=N1)C1=N[N-]N=N1	REAL250004607238	1	38	-1.0	-43.70	314.94	3.00	-40.70
CCCC(NC(=O)C1CC2(CC(=O)N2)C1)C1=N[N-]N=N1	REAL250004607239	0	37	-1.0	-51.05	311.67	-0.35	-51.40
CCCC(NC(=O)C1CC2(CC(=O)N2)C1)C1=NN=N[N-]1	REAL250004607239	1	37	-1.0	-51.00	311.73	-0.33	-51.33
CCCC(NC(=O)C1CCC2=NN=NN2C1)C1=N[N-]N=N1	REAL250004607240	0	37	-1.0	-45.15	308.29	1.35	-43.80
CCCC(NC(=O)C1CCC2=NN=NN2C1)C1=NN=N[N-]1	REAL250004607240	1	37	-1.0	-45.15	308.35	1.37	-43.78
CCCC(NC(=O)CCOC1CC1)C1=N[N-]N=N1	REAL250004607241	0	36	-1.0	-43.77	304.80	2.13	-41.64
CCCC(NC(=O)CCOC1CC1)C1=NN=N[N-]1	REAL250004607241	1	36	-1.0	-43.77	304.86	2.15	-41.62
CCCC(NC(=O)C1=CC=NN1COC)C1=NN=N[N-]1	REAL250004607242	0	36	-1.0	-45.66	308.37	-0.05	-45.71
CCCC(NC(=O)C1=CC=NN1COC)C1=N[N-]N=N1	REAL250004607242	1	36	-1.0	-45.68	308.32	-0.06	-45.74
CCCC(NC(=O)CCC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004607243	0	41	-1.0	-48.71	341.38	2.90	-45.81
CCCC(NC(=O)CCC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004607243	1	41	-1.0	-48.69	341.43	2.91	-45.78
CCCC(NC(=O)CN1N=NN=C1C1CC1)C1=N[N-]N=N1	REAL250004607244	0	37	-1.0	-56.53	320.69	2.19	-54.34
CCCC(NC(=O)CN1N=NN=C1C1CC1)C1=NN=N[N-]1	REAL250004607244	1	37	-1.0	-56.55	320.75	2.20	-54.35
CCCC(NC(=O)C1=C(N)N(CCO)N=C1)C1=NN=N[N-]1	REAL250004607245	0	38	-1.0	-46.75	322.67	-2.10	-48.85
CCCC(NC(=O)C1=C(N)N(CCO)N=C1)C1=N[N-]N=N1	REAL250004607245	1	38	-1.0	-46.76	322.61	-2.11	-48.87
CCCC(NC(=O)C1=NN(CC)C=C1Cl)C1=NN=N[N-]1	REAL250004607246	0	35	-1.0	-50.17	316.39	2.79	-47.38
CCCC(NC(=O)C1=NN(CC)C=C1Cl)C1=N[N-]N=N1	REAL250004607246	1	35	-1.0	-50.17	316.33	2.78	-47.39
CCCC(NC(=O)[C@@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004607247	0	37	-1.0	-46.94	308.30	1.66	-45.28
CCCC(NC(=O)[C@@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004607247	1	37	-1.0	-46.97	308.35	1.68	-45.29
CCCC(NC(=O)C=CC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004607248	0	34	-1.0	-45.78	301.20	3.11	-42.67
CCCC(NC(=O)C=CC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004607248	1	34	-1.0	-45.83	301.26	3.12	-42.71
CCCC(NC(=O)C1=COC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004607249	0	37	-1.0	-45.11	317.60	0.32	-44.79
CCCC(NC(=O)C1=COC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004607249	1	37	-1.0	-45.07	317.66	0.33	-44.74
CCCC(NC(=O)C(CC)C1CCOCC1)C1=N[N-]N=N1	REAL250004607250	0	45	-1.0	-45.82	340.87	3.19	-42.63
CCCC(NC(=O)C(CC)C1CCOCC1)C1=NN=N[N-]1	REAL250004607250	1	45	-1.0	-45.83	340.92	3.20	-42.63
CCCC(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=N[N-]N=N1	REAL250004607251	0	34	-1.0	-46.67	296.91	-0.52	-47.19
CCCC(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=NN=N[N-]1	REAL250004607251	1	34	-1.0	-46.61	296.97	-0.50	-47.11
CCCC(NC(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004607252	0	42	-1.0	-49.13	338.39	1.28	-47.85
CCCC(NC(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004607252	1	42	-1.0	-49.11	338.44	1.29	-47.82
CCCC(NC(=O)C(F)CC1CCCC1)C1=N[N-]N=N1	REAL250004607253	0	41	-1.0	-42.77	330.60	4.72	-38.05
CCCC(NC(=O)C(F)CC1CCCC1)C1=NN=N[N-]1	REAL250004607253	1	41	-1.0	-42.78	330.66	4.75	-38.03
CCCC(NC(=O)C1CC2(C1)CCCO2)C1=N[N-]N=N1	REAL250004607254	0	40	-1.0	-50.47	319.31	3.59	-46.88
CCCC(NC(=O)C1CC2(C1)CCCO2)C1=NN=N[N-]1	REAL250004607254	1	40	-1.0	-50.43	319.37	3.61	-46.82
CCCC(NC(=O)C1=CC(C(N)=O)=NO1)C1=NN=N[N-]1	REAL250004607255	0	32	-1.0	-43.10	291.85	-2.28	-45.38
CCCC(NC(=O)C1=CC(C(N)=O)=NO1)C1=N[N-]N=N1	REAL250004607255	1	32	-1.0	-43.11	291.80	-2.29	-45.40
CCCC(NC(=O)C1C[C@H]2CC(OC)[C@H]2C1)C1=N[N-]N=N1	REAL250004607256	0	43	-1.0	-45.23	339.32	3.28	-41.95
CCCC(NC(=O)C1C[C@H]2CC(OC)[C@H]2C1)C1=NN=N[N-]1	REAL250004607256	1	43	-1.0	-45.28	339.37	3.30	-41.98
CCCC(NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL250004607257	0	38	-1.0	-51.46	321.39	4.78	-46.68
CCCC(NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL250004607257	1	38	-1.0	-51.43	321.33	4.77	-46.66
CCCC(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004607258	0	39	-1.0	-46.25	316.79	5.59	-40.66
CCCC(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004607258	1	39	-1.0	-46.29	316.85	5.60	-40.69
CCCC(NC(=O)C1=C2C=CN=C2NC=C1)C1=NN=N[N-]1	REAL250004607259	0	35	-1.0	-60.71	298.61	3.01	-57.70
CCCC(NC(=O)C1=C2C=CN=C2NC=C1)C1=N[N-]N=N1	REAL250004607259	1	35	-1.0	-60.72	298.55	3.00	-57.72
CCCC(NC(=O)C1=C2C=CNC2=NC=C1)C1=NN=N[N-]1	REAL250004607259	1	35	-1.0	-50.66	298.79	2.90	-47.76
CCCC(NC(=O)C1=C2C=CNC2=NC=C1)C1=N[N-]N=N1	REAL250004607259	1	35	-1.0	-50.64	298.74	2.88	-47.76
CCCC(NC(=O)C1CCC2(CCC2)CC1)C1=N[N-]N=N1	REAL250004607260	0	45	-1.0	-44.79	343.91	5.51	-39.28
CCCC(NC(=O)C1CCC2(CCC2)CC1)C1=NN=N[N-]1	REAL250004607260	1	45	-1.0	-44.77	343.97	5.53	-39.24
CCCC(NC(=O)C1=CC(C)=NC(OC)=C1)C1=N[N-]N=N1	REAL250004607261	0	38	-1.0	-44.15	323.29	0.96	-43.19
CCCC(NC(=O)C1=CC(C)=NC(OC)=C1)C1=NN=N[N-]1	REAL250004607261	1	38	-1.0	-44.19	323.35	0.97	-43.22
CCCC(NC(=O)CC(C)(C)CCOC)C1=N[N-]N=N1	REAL250004607262	0	44	-1.0	-44.17	340.00	2.76	-41.41
CCCC(NC(=O)CC(C)(C)CCOC)C1=NN=N[N-]1	REAL250004607262	1	44	-1.0	-44.14	340.06	2.77	-41.37
CCCC(NC(=O)C1=COC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004607263	0	31	-1.0	-44.63	288.30	-0.75	-45.38
CCCC(NC(=O)C1=COC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004607263	1	31	-1.0	-44.59	288.36	-0.73	-45.32
CCCC(NC(=O)C(C)SCC)C1=N[N-]N=N1	REAL250004607264	0	35	-1.0	-46.57	301.89	3.20	-43.37
CCCC(NC(=O)C(C)SCC)C1=NN=N[N-]1	REAL250004607264	1	35	-1.0	-46.57	301.95	3.21	-43.36
CCCC(NC(=O)CC1COCCO1)C1=N[N-]N=N1	REAL250004607265	0	37	-1.0	-50.17	303.92	1.25	-48.92
CCCC(NC(=O)CC1COCCO1)C1=NN=N[N-]1	REAL250004607265	1	37	-1.0	-50.18	303.97	1.26	-48.92
CCCC(NC(=O)C1CC(C)(CC)C1)C1=N[N-]N=N1	REAL250004607266	0	41	-1.0	-44.76	323.10	4.32	-40.44
CCCC(NC(=O)C1CC(C)(CC)C1)C1=NN=N[N-]1	REAL250004607266	1	41	-1.0	-44.73	323.16	4.33	-40.40
CCCC(NC(=O)CC(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004607267	0	40	-1.0	-42.20	315.85	3.76	-38.44
CCCC(NC(=O)CC(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004607267	1	40	-1.0	-42.24	315.91	3.78	-38.46
CCCC(NC(=O)CC(C)C(F)F)C1=N[N-]N=N1	REAL250004607268	0	34	-1.0	-43.86	288.37	2.91	-40.95
CCCC(NC(=O)CC(C)C(F)F)C1=NN=N[N-]1	REAL250004607268	1	34	-1.0	-43.90	288.43	2.92	-40.98
CCCC(NC(=O)C1=CC(C)=NC=C1C)C1=N[N-]N=N1	REAL250004607269	0	37	-1.0	-44.49	307.33	3.13	-41.36
CCCC(NC(=O)C1=CC(C)=NC=C1C)C1=NN=N[N-]1	REAL250004607269	1	37	-1.0	-44.51	307.39	3.15	-41.36
CCCC(NC(=O)C1CCCC2=CC=NN21)C1=N[N-]N=N1	REAL250004607270	0	39	-1.0	-49.45	317.81	3.32	-46.13
CCCC(NC(=O)C1CCCC2=CC=NN21)C1=NN=N[N-]1	REAL250004607270	1	39	-1.0	-49.45	317.86	3.34	-46.11
CCCC(NC(=O)C1=CN=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004607271	0	38	-1.0	-46.41	314.84	3.70	-42.71
CCCC(NC(=O)C1=CN=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004607271	1	38	-1.0	-46.38	314.90	3.72	-42.66
CCCC(NC(=O)CC1OCCC1(C)C)C1=N[N-]N=N1	REAL250004607272	0	42	-1.0	-50.61	329.10	3.21	-47.40
CCCC(NC(=O)CC1OCCC1(C)C)C1=NN=N[N-]1	REAL250004607272	1	42	-1.0	-50.65	329.16	3.23	-47.42
CCCC(NC(=O)CCC1=NN=C(C)N1C)C1=N[N-]N=N1	REAL250004607273	0	40	-1.0	-48.24	335.72	3.94	-44.30
CCCC(NC(=O)CCC1=NN=C(C)N1C)C1=NN=N[N-]1	REAL250004607273	1	40	-1.0	-48.20	335.78	3.95	-44.25
CCCC(NC(=O)C1=CN=C(CC)N=C1C)C1=N[N-]N=N1	REAL250004607274	0	39	-1.0	-42.99	324.06	2.87	-40.12
CCCC(NC(=O)C1=CN=C(CC)N=C1C)C1=NN=N[N-]1	REAL250004607274	1	39	-1.0	-42.98	324.12	2.88	-40.10
CCCC(NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL250004607275	0	43	-1.0	-47.34	329.58	2.97	-44.37
CCCC(NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL250004607275	1	43	-1.0	-47.37	329.63	2.99	-44.38
CCCC(NC(=O)C1=CC=NC2=NC=CN=C12)C1=NN=N[N-]1	REAL250004607276	0	35	-1.0	-55.35	303.74	1.55	-53.80
CCCC(NC(=O)C1=CC=NC2=NC=CN=C12)C1=N[N-]N=N1	REAL250004607276	1	35	-1.0	-55.35	303.68	1.53	-53.82
CCCC(NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004607277	0	39	-1.0	-50.30	316.70	4.59	-45.71
CCCC(NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004607277	1	39	-1.0	-50.31	316.76	4.61	-45.70
CCCC(NC(=O)C1=CC(C)=NC(C)=N1)C1=N[N-]N=N1	REAL250004607278	0	36	-1.0	-44.13	310.08	2.27	-41.86
CCCC(NC(=O)C1=CC(C)=NC(C)=N1)C1=NN=N[N-]1	REAL250004607278	1	36	-1.0	-44.17	310.13	2.28	-41.89
CCCC(NC(=O)C1=C(C)SN=C1)C1=N[N-]N=N1	REAL250004607279	0	31	-1.0	-42.91	277.55	2.07	-40.84
CCCC(NC(=O)C1=C(C)SN=C1)C1=NN=N[N-]1	REAL250004607279	1	31	-1.0	-42.90	277.61	2.08	-40.82
CCCC(NC(=O)C=CC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004607280	0	34	-1.0	-46.88	301.06	1.45	-45.43
CCCC(NC(=O)C=CC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004607280	1	34	-1.0	-46.89	301.12	1.47	-45.42
CCCC1=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=CS1	REAL250004607281	0	37	-1.0	-46.44	326.47	2.86	-43.58
CCCC1=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=CS1	REAL250004607281	1	37	-1.0	-46.48	326.53	2.87	-43.61
CCCC(NC(=O)C1=C(Cl)C(C)=NN1C)C1=N[N-]N=N1	REAL250004607282	0	35	-1.0	-45.41	318.35	2.34	-43.07
CCCC(NC(=O)C1=C(Cl)C(C)=NN1C)C1=NN=N[N-]1	REAL250004607282	1	35	-1.0	-45.39	318.41	2.35	-43.04
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL250004607283	0	42	-1.0	-46.35	343.14	3.75	-42.60
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL250004607283	1	42	-1.0	-46.35	343.20	3.77	-42.58
CCCC(NC(=O)C1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004607284	0	31	-1.0	-41.12	282.05	1.84	-39.28
CCCC(NC(=O)C1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004607284	1	31	-1.0	-41.14	282.00	1.82	-39.32
CCCC(NC(=O)C(OC)C(=O)OC)C1=N[N-]N=N1	REAL250004607285	0	35	-1.0	-46.82	304.99	2.02	-44.80
CCCC(NC(=O)C(OC)C(=O)OC)C1=NN=N[N-]1	REAL250004607285	1	35	-1.0	-46.86	305.05	2.03	-44.83
CCCC(NC(=O)[C@@]1(C)C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004607286	0	38	-1.0	-53.97	322.33	4.13	-49.84
CCCC(NC(=O)[C@@]1(C)C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004607286	1	38	-1.0	-53.97	322.39	4.14	-49.83
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL250004607287	0	41	-1.0	-46.03	338.64	2.78	-43.25
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL250004607287	1	41	-1.0	-46.04	338.70	2.79	-43.25
CCCC(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004607288	0	39	-1.0	-44.68	320.25	5.37	-39.31
CCCC(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004607288	1	39	-1.0	-44.67	320.30	5.38	-39.29
CCCC(NC(=O)C1=CC(=O)N(CC)C=C1)C1=N[N-]N=N1	REAL250004607289	0	38	-1.0	-56.07	321.27	3.35	-52.72
CCCC(NC(=O)C1=CC(=O)N(CC)C=C1)C1=NN=N[N-]1	REAL250004607289	1	38	-1.0	-56.06	321.33	3.37	-52.69
CCCC(NC(=O)C1=CC=C2CCOC2=C1)C1=N[N-]N=N1	REAL250004607290	0	37	-1.0	-50.28	310.13	3.47	-46.81
CCCC(NC(=O)C1=CC=C2CCOC2=C1)C1=NN=N[N-]1	REAL250004607290	1	37	-1.0	-50.26	310.18	3.49	-46.77
CCCC(NC(=O)C1=NC=CC(OC)=C1F)C1=NN=N[N-]1	REAL250004607291	0	35	-1.0	-53.57	305.73	1.33	-52.24
CCCC(NC(=O)C1=NC=CC(OC)=C1F)C1=N[N-]N=N1	REAL250004607291	1	35	-1.0	-53.55	305.67	1.31	-52.24
CCCC(NC(=O)C1=NN(CC#N)C=C1)C1=NN=N[N-]1	REAL250004607292	0	33	-1.0	-59.85	300.69	2.01	-57.84
CCCC(NC(=O)C1=NN(CC#N)C=C1)C1=N[N-]N=N1	REAL250004607292	1	33	-1.0	-59.84	300.64	1.99	-57.85
CCCC(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=N[N-]N=N1	REAL250004607293	0	40	-1.0	-45.97	315.94	2.49	-43.48
CCCC(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=NN=N[N-]1	REAL250004607293	1	40	-1.0	-45.98	316.00	2.51	-43.47
CCCC(NC(=O)CN1N=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004607294	0	37	-1.0	-51.49	322.66	1.85	-49.64
CCCC(NC(=O)CN1N=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004607294	1	37	-1.0	-51.48	322.72	1.87	-49.61
CCCC(NC(=O)C1=NN(CC)C=N1)C1=NN=N[N-]1	REAL250004607295	0	34	-1.0	-53.75	296.26	2.92	-50.83
CCCC(NC(=O)C1=NN(CC)C=N1)C1=N[N-]N=N1	REAL250004607295	1	34	-1.0	-53.73	296.20	2.91	-50.82
CCCC(NC(=O)C1=CC=NN1CC#N)C1=NN=N[N-]1	REAL250004607296	0	33	-1.0	-44.41	295.67	1.97	-42.44
CCCC(NC(=O)C1=CC=NN1CC#N)C1=N[N-]N=N1	REAL250004607296	1	33	-1.0	-44.36	295.61	1.95	-42.41
CCCC(NC(=O)C(F)CC(C)C)C1=N[N-]N=N1	REAL250004607297	0	37	-1.0	-45.77	305.39	3.40	-42.37
CCCC(NC(=O)C(F)CC(C)C)C1=NN=N[N-]1	REAL250004607297	1	37	-1.0	-45.80	305.45	3.42	-42.38
C=C(Cl)CCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607298	0	32	-1.0	-44.86	290.24	3.17	-41.69
C=C(Cl)CCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607298	1	32	-1.0	-44.82	290.30	3.19	-41.63
CCCC(NC(=O)C(C)CC1CCC1)C1=N[N-]N=N1	REAL250004607299	0	41	-1.0	-45.53	324.54	4.67	-40.86
CCCC(NC(=O)C(C)CC1CCC1)C1=NN=N[N-]1	REAL250004607299	1	41	-1.0	-45.56	324.59	4.69	-40.87
CCCC(NC(=O)CCCC1CCC1)C1=N[N-]N=N1	REAL250004607300	0	41	-1.0	-45.28	330.14	4.94	-40.34
CCCC(NC(=O)CCCC1CCC1)C1=NN=N[N-]1	REAL250004607300	1	41	-1.0	-45.31	330.20	4.97	-40.34
CCCC(NC(=O)C1=CC=CC(C)=C1N)C1=NN=N[N-]1	REAL250004607301	0	37	-1.0	-45.04	302.05	2.63	-42.41
CCCC(NC(=O)C1=CC=CC(C)=C1N)C1=N[N-]N=N1	REAL250004607301	1	37	-1.0	-45.04	301.99	2.62	-42.42
CCCC(NC(=O)C1=CC(Cl)=CC=C1N)C1=N[N-]N=N1	REAL250004607302	0	34	-1.0	-42.64	300.81	2.36	-40.28
CCCC(NC(=O)C1=CC(Cl)=CC=C1N)C1=NN=N[N-]1	REAL250004607302	1	34	-1.0	-42.63	300.87	2.38	-40.25
CCCC(NC(=O)C1=CC=CC(Cl)=C1N)C1=N[N-]N=N1	REAL250004607303	0	34	-1.0	-43.94	299.36	2.41	-41.53
CCCC(NC(=O)C1=CC=CC(Cl)=C1N)C1=NN=N[N-]1	REAL250004607303	1	34	-1.0	-43.90	299.41	2.42	-41.48
CCCC(NC(=O)C1=CC(F)=C(F)C=C1N)C1=N[N-]N=N1	REAL250004607304	0	34	-1.0	-40.60	296.77	1.96	-38.64
CCCC(NC(=O)C1=CC(F)=C(F)C=C1N)C1=NN=N[N-]1	REAL250004607304	1	34	-1.0	-40.59	296.82	1.97	-38.62
CCCC(NC(=O)C1=CC=CC(F)=C1N)C1=N[N-]N=N1	REAL250004607305	0	34	-1.0	-44.67	290.35	1.93	-42.74
CCCC(NC(=O)C1=CC=CC(F)=C1N)C1=NN=N[N-]1	REAL250004607305	1	34	-1.0	-44.62	290.41	1.95	-42.67
CCCC(NC(=O)C1=C(C)C=CC(F)=C1N)C1=N[N-]N=N1	REAL250004607306	0	37	-1.0	-44.36	316.35	1.98	-42.38
CCCC(NC(=O)C1=C(C)C=CC(F)=C1N)C1=NN=N[N-]1	REAL250004607306	1	37	-1.0	-44.34	316.40	2.00	-42.34
CCCC(NC(=O)C1=CC(F)=CC(C)=C1N)C1=N[N-]N=N1	REAL250004607307	0	37	-1.0	-42.92	308.38	2.68	-40.24
CCCC(NC(=O)C1=CC(F)=CC(C)=C1N)C1=NN=N[N-]1	REAL250004607307	1	37	-1.0	-42.95	308.44	2.69	-40.26
CCCC(NC(=O)C1=CC=C(F)C(C)=C1N)C1=N[N-]N=N1	REAL250004607308	0	37	-1.0	-42.52	307.26	2.63	-39.89
CCCC(NC(=O)C1=CC=C(F)C(C)=C1N)C1=NN=N[N-]1	REAL250004607308	1	37	-1.0	-42.52	307.32	2.65	-39.87
CCCC(NC(=O)C1=CC(C)=C(F)C=C1N)C1=N[N-]N=N1	REAL250004607309	0	37	-1.0	-42.12	311.31	2.55	-39.57
CCCC(NC(=O)C1=CC(C)=C(F)C=C1N)C1=NN=N[N-]1	REAL250004607309	1	37	-1.0	-42.13	311.37	2.57	-39.56
CCCC(NC(=O)C1=C(N)C=CC(F)=C1C)C1=N[N-]N=N1	REAL250004607310	0	37	-1.0	-41.74	316.19	1.92	-39.82
CCCC(NC(=O)C1=C(N)C=CC(F)=C1C)C1=NN=N[N-]1	REAL250004607310	1	37	-1.0	-41.74	316.25	1.93	-39.81
CCCC(NC(=O)CC1=CC=C(O)C=N1)C1=N[N-]N=N1	REAL250004607311	0	35	-1.0	-54.83	303.41	-0.18	-55.01
CCCC(NC(=O)CC1=CC=C(O)C=N1)C1=NN=N[N-]1	REAL250004607311	1	35	-1.0	-54.84	303.47	-0.17	-55.01
C=CN1N=CC=C1C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607312	0	33	-1.0	-45.91	287.13	2.40	-43.51
C=CN1N=CC=C1C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607312	1	33	-1.0	-45.88	287.18	2.40	-43.48
CCCC(NC(=O)C(=O)NC1=NC=CN1)C1=NN=N[N-]1	REAL250004607314	0	33	-1.0	-41.62	290.52	1.30	-40.32
CCCC(NC(=O)C(=O)NC1=NC=CN1)C1=N[N-]N=N1	REAL250004607314	1	33	-1.0	-41.64	290.46	1.28	-40.36
CCCC(NC(=O)C12CC(C1)CN2C1CC1)C1=N[N-]N=N1	REAL250004607315	0	42	-1.0	-45.91	323.92	3.02	-42.89
CCCC(NC(=O)C12CC(C1)CN2C1CC1)C1=NN=N[N-]1	REAL250004607315	1	42	-1.0	-45.89	323.96	3.03	-42.86
CCCC(NC(=O)C(F)=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004607316	0	33	-1.0	-50.50	294.87	2.86	-47.64
CCCC(NC(=O)C(F)=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004607316	1	33	-1.0	-50.49	294.93	2.87	-47.62
CCCC(NC(=O)C1=NN(C)C(C)=N1)C1=N[N-]N=N1	REAL250004607317	0	34	-1.0	-54.69	294.28	1.81	-52.88
CCCC(NC(=O)C1=NN(C)C(C)=N1)C1=NN=N[N-]1	REAL250004607317	1	34	-1.0	-54.75	294.34	1.83	-52.92
CCCC(NC(=O)C1=CC=C(CC)N1)C1=N[N-]N=N1	REAL250004607318	0	36	-1.0	-47.05	304.81	2.72	-44.33
CCCC(NC(=O)C1=CC=C(CC)N1)C1=NN=N[N-]1	REAL250004607318	1	36	-1.0	-47.05	304.87	2.73	-44.32
CCCC(NC(=O)CC1CC(=O)NC(=O)C1)C1=N[N-]N=N1	REAL250004607319	0	38	-1.0	-52.46	317.90	-0.15	-52.61
CCCC(NC(=O)CC1CC(=O)NC(=O)C1)C1=NN=N[N-]1	REAL250004607319	1	38	-1.0	-52.51	317.95	-0.13	-52.64
CCCC(NC(=O)C1=CC(=O)NN1C)C1=N[N-]N=N1	REAL250004607320	0	33	-1.0	-43.36	285.24	-0.57	-43.93
CCCC(NC(=O)C1=CC(=O)NN1C)C1=NN=N[N-]1	REAL250004607320	1	33	-1.0	-43.34	285.30	-0.55	-43.89
CCCC(NC(=O)C1=CC=NC2=NNC=C21)C1=NN=N[N-]1	REAL250004607321	0	34	-1.0	-48.01	294.64	1.60	-46.41
CCCC(NC(=O)C1=CC=NC2=NNC=C21)C1=N[N-]N=N1	REAL250004607321	1	34	-1.0	-48.03	294.58	1.59	-46.44
CCCC(NC(=O)CC1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004607322	0	36	-1.0	-48.77	314.97	1.58	-47.19
CCCC(NC(=O)CC1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004607322	1	36	-1.0	-48.79	315.03	1.59	-47.20
CCCC(NC(=O)C1=NNC(=S)N1C)C1=N[N-]N=N1	REAL250004607323	0	32	-1.0	-39.80	292.51	2.28	-37.52
CCCC(NC(=O)C1=NNC(=S)N1C)C1=NN=N[N-]1	REAL250004607323	1	32	-1.0	-39.78	292.57	2.29	-37.49
CCCC(NC(=O)C1=CC2=CNN=C2S1)C1=N[N-]N=N1	REAL250004607324	0	32	-1.0	-49.71	293.01	1.45	-48.26
CCCC(NC(=O)C1=CC2=CNN=C2S1)C1=NN=N[N-]1	REAL250004607324	1	32	-1.0	-49.69	293.06	1.46	-48.23
CCCC(NC(=O)C1=CC(C)(CC)C1)C1=N[N-]N=N1	REAL250004607325	0	39	-1.0	-46.30	318.15	4.36	-41.94
CCCC(NC(=O)C1=CC(C)(CC)C1)C1=NN=N[N-]1	REAL250004607325	1	39	-1.0	-46.29	318.20	4.37	-41.92
CCCC(NC(=O)C[C@@H]1CCC[C@H]1O)C1=N[N-]N=N1	REAL250004607326	0	39	-1.0	-46.83	313.92	0.57	-46.26
CCCC(NC(=O)C[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004607326	1	39	-1.0	-46.86	313.98	0.58	-46.28
CCCC(NC(=O)C[C@@H]1COC[C@H]1O)C1=N[N-]N=N1	REAL250004607327	0	37	-1.0	-49.63	303.99	-1.96	-51.59
CCCC(NC(=O)C[C@@H]1COC[C@H]1O)C1=NN=N[N-]1	REAL250004607327	1	37	-1.0	-49.62	304.05	-1.95	-51.57
CCCC(NC(=O)C1=CN2C(=CN=C2C)C=C1)C1=NN=N[N-]1	REAL250004607328	1	38	-1.0	-45.85	322.71	4.89	-40.96
C#CC[C@]1(O)C[C@@H](C(=O)NC(CCC)C2=N[N-]N=N2)C1	REAL250004607329	0	38	-1.0	-50.34	321.75	1.14	-49.20
C#CC[C@]1(O)C[C@@H](C(=O)NC(CCC)C2=NN=N[N-]2)C1	REAL250004607329	1	38	-1.0	-50.36	321.81	1.16	-49.20
CCCC(NC(=O)CC1CCC(=O)C1)C1=N[N-]N=N1	REAL250004607330	0	37	-1.0	-50.90	305.41	3.05	-47.85
CCCC(NC(=O)CC1CCC(=O)C1)C1=NN=N[N-]1	REAL250004607330	1	37	-1.0	-50.90	305.47	3.07	-47.83
CCCC(NC(=O)C(CC)N1C=CN=C1)C1=N[N-]N=N1	REAL250004607331	0	38	-1.0	-49.62	317.29	4.39	-45.23
CCCC(NC(=O)C(CC)N1C=CN=C1)C1=NN=N[N-]1	REAL250004607331	1	38	-1.0	-49.63	317.36	4.40	-45.23
CCCC(NC(=O)CC(F)(F)CC)C1=N[N-]N=N1	REAL250004607332	0	34	-1.0	-51.11	290.71	2.99	-48.12
CCCC(NC(=O)CC(F)(F)CC)C1=NN=N[N-]1	REAL250004607332	1	34	-1.0	-51.09	290.77	3.00	-48.09
CCCC(NC(=O)C1CCC2(C1)N=N2)C1=N[N-]N=N1	REAL250004607333	0	35	-1.0	-44.29	294.81	-2.06	-46.35
CCCC(NC(=O)C1CCC2(C1)N=N2)C1=NN=N[N-]1	REAL250004607333	1	35	-1.0	-44.33	294.87	-2.05	-46.38
CCCC(NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=NN=N[N-]1	REAL250004607334	0	38	-1.0	-48.08	315.98	5.19	-42.89
CCCC(NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=N[N-]N=N1	REAL250004607334	1	38	-1.0	-48.06	315.92	5.19	-42.87
CCCC(NC(=O)CC1COCCN1CC)C1=N[N-]N=N1	REAL250004607335	0	44	-1.0	-47.09	336.76	0.02	-47.07
CCCC(NC(=O)CC1COCCN1CC)C1=NN=N[N-]1	REAL250004607335	1	44	-1.0	-47.09	336.82	0.04	-47.05
CCCC(NC(=O)C1=CN=C2OC=CC2=C1)C1=NN=N[N-]1	REAL250004607336	0	34	-1.0	-47.40	296.68	0.92	-46.48
CCCC(NC(=O)C1=CN=C2OC=CC2=C1)C1=N[N-]N=N1	REAL250004607336	1	34	-1.0	-47.40	296.62	0.91	-46.49
C=CCC(C)(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607337	0	41	-1.0	-44.07	321.26	4.30	-39.77
C=CCC(C)(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607337	1	41	-1.0	-44.04	321.32	4.32	-39.72
CCCC(NC(=O)CC(CC)OC)C1=N[N-]N=N1	REAL250004607338	0	38	-1.0	-44.96	307.52	2.55	-42.41
CCCC(NC(=O)CC(CC)OC)C1=NN=N[N-]1	REAL250004607338	1	38	-1.0	-44.96	307.57	2.56	-42.40
CCCC(NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004607339	0	45	-1.0	-47.07	356.24	3.71	-43.36
CCCC(NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004607339	1	45	-1.0	-47.08	356.30	3.72	-43.36
CCCC(NC(=O)CC(CC)C1CCC1)C1=N[N-]N=N1	REAL250004607340	0	44	-1.0	-44.95	338.81	5.17	-39.78
CCCC(NC(=O)CC(CC)C1CCC1)C1=NN=N[N-]1	REAL250004607340	1	44	-1.0	-44.98	338.86	5.19	-39.79
CCCC(NC(=O)C=CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL250004607341	0	38	-1.0	-47.23	321.55	3.55	-43.68
CCCC(NC(=O)C=CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL250004607341	1	38	-1.0	-47.17	321.61	3.57	-43.60
CCCC(NC(=O)C=CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL250004607342	0	38	-1.0	-46.10	321.70	3.58	-42.52
CCCC(NC(=O)C=CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL250004607342	1	38	-1.0	-46.09	321.75	3.59	-42.50
CCCC(NC(=O)C1=CC=CC(OC)=C1N)C1=N[N-]N=N1	REAL250004607343	0	38	-1.0	-46.44	313.22	1.23	-45.21
CCCC(NC(=O)C1=CC=CC(OC)=C1N)C1=NN=N[N-]1	REAL250004607343	1	38	-1.0	-46.40	313.28	1.24	-45.16
CCCC(NC(=O)C(C)=CC1=CC=CS1)C1=N[N-]N=N1	REAL250004607344	0	36	-1.0	-46.03	308.84	4.22	-41.81
CCCC(NC(=O)C(C)=CC1=CC=CS1)C1=NN=N[N-]1	REAL250004607344	1	36	-1.0	-46.05	308.90	4.24	-41.81
CCCC(NC(=O)C1CC2CCC(C2)C1)C1=N[N-]N=N1	REAL250004607345	0	42	-1.0	-41.06	292.83	4.58	-36.48
CCCC(NC(=O)C1CC2CCC(C2)C1)C1=NN=N[N-]1	REAL250004607345	1	42	-1.0	-41.02	292.89	4.59	-36.43
CCCC(NC(=O)C1CC(=O)C1(C)C)C1=N[N-]N=N1	REAL250004607346	0	37	-1.0	-43.77	304.30	2.77	-41.00
CCCC(NC(=O)C1CC(=O)C1(C)C)C1=NN=N[N-]1	REAL250004607346	1	37	-1.0	-43.77	304.36	2.78	-40.99
CCCC(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=N[N-]N=N1	REAL250004607347	0	38	-1.0	-45.96	311.27	4.07	-41.89
CCCC(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=NN=N[N-]1	REAL250004607347	1	38	-1.0	-45.99	311.33	4.09	-41.90
CCCC1=C(C(=O)NC(CCC)C2=N[N-]N=N2)OC=N1	REAL250004607348	0	37	-1.0	-45.37	314.26	0.46	-44.91
CCCC1=C(C(=O)NC(CCC)C2=NN=N[N-]2)OC=N1	REAL250004607348	1	37	-1.0	-45.36	314.32	0.48	-44.88
CCCC(NC(=O)C1=NC(C)=CC=C1C)C1=N[N-]N=N1	REAL250004607349	0	37	-1.0	-47.63	309.18	3.18	-44.45
CCCC(NC(=O)C1=NC(C)=CC=C1C)C1=NN=N[N-]1	REAL250004607349	1	37	-1.0	-47.62	309.24	3.20	-44.42
CCCC(NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=NN=N[N-]1	REAL250004607350	0	38	-1.0	-47.55	316.48	1.93	-45.62
CCCC(NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=N[N-]N=N1	REAL250004607350	1	38	-1.0	-47.53	316.42	1.91	-45.62
CCCC(NC(=O)C1=CN=C(Cl)N1)C1=N[N-]N=N1	REAL250004607351	0	29	-1.0	-42.51	273.32	0.91	-41.60
CCCC(NC(=O)C1=CN=C(Cl)N1)C1=NN=N[N-]1	REAL250004607351	1	29	-1.0	-42.53	273.38	0.93	-41.60
C=CC1(CC(=O)NC(CCC)C2=N[N-]N=N2)CCOCC1	REAL250004607352	0	43	-1.0	-44.09	327.01	2.73	-41.36
C=CC1(CC(=O)NC(CCC)C2=NN=N[N-]2)CCOCC1	REAL250004607352	1	43	-1.0	-44.09	327.07	2.75	-41.34
CCCC(NC(=O)C1=C2C=CNC2=CN=C1)C1=NN=N[N-]1	REAL250004607353	0	35	-1.0	-52.39	298.16	1.86	-50.53
CCCC(NC(=O)C1=C2C=CNC2=CN=C1)C1=N[N-]N=N1	REAL250004607353	1	35	-1.0	-52.39	298.10	1.85	-50.54
CCCC(NC(=O)CC1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004607354	0	35	-1.0	-51.95	307.40	1.60	-50.35
CCCC(NC(=O)CC1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004607354	1	35	-1.0	-51.90	307.46	1.61	-50.29
CCCC(NC(=O)C1=CC=CN2C=NN=C12)C1=NN=N[N-]1	REAL250004607355	0	34	-1.0	-58.38	294.84	5.25	-53.13
CCCC(NC(=O)C1=CC=CN2C=NN=C12)C1=N[N-]N=N1	REAL250004607355	1	34	-1.0	-58.41	294.78	5.23	-53.18
CCCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)N1	REAL250004607356	0	39	-1.0	-46.90	326.31	3.50	-43.40
CCCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)N1	REAL250004607356	1	39	-1.0	-46.94	326.37	3.51	-43.43
CCCC(NC(=O)CC1CCCC(C#N)C1)C1=N[N-]N=N1	REAL250004607357	0	42	-1.0	-58.43	335.19	4.57	-53.86
CCCC(NC(=O)CC1CCCC(C#N)C1)C1=NN=N[N-]1	REAL250004607357	1	42	-1.0	-58.38	335.24	4.59	-53.79
CCCC(NC(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004607358	0	36	-1.0	-45.68	316.73	2.37	-43.31
CCCC(NC(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004607358	1	36	-1.0	-45.66	316.78	2.38	-43.28
CCCC(NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004607359	0	38	-1.0	-51.68	319.33	3.88	-47.80
CCCC(NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004607359	1	38	-1.0	-51.66	319.27	3.86	-47.80
CCCC(NC(=O)CC1CC(=O)C1)C1=N[N-]N=N1	REAL250004607360	0	34	-1.0	-48.98	289.56	2.46	-46.52
CCCC(NC(=O)CC1CC(=O)C1)C1=NN=N[N-]1	REAL250004607360	1	34	-1.0	-48.98	289.61	2.48	-46.50
CCCC(NC(=O)C1=CC=CC2=CN=NN21)C1=NN=N[N-]1	REAL250004607361	0	34	-1.0	-53.88	293.68	2.34	-51.54
CCCC(NC(=O)C1=CC=CC2=CN=NN21)C1=N[N-]N=N1	REAL250004607361	1	34	-1.0	-53.87	293.63	2.33	-51.54
CCCC(NC(=O)C(C)C(=O)OC)C1=N[N-]N=N1	REAL250004607362	0	34	-1.0	-52.05	290.26	2.93	-49.12
CCCC(NC(=O)C(C)C(=O)OC)C1=NN=N[N-]1	REAL250004607362	1	34	-1.0	-52.08	290.32	2.95	-49.13
CCCC(NC(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL250004607363	0	34	-1.0	-46.96	305.80	2.82	-44.14
CCCC(NC(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL250004607363	1	34	-1.0	-47.01	305.74	2.81	-44.20
CCCC(NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=N[N-]N=N1	REAL250004607364	0	37	-1.0	-49.37	312.77	2.65	-46.72
CCCC(NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=NN=N[N-]1	REAL250004607364	1	37	-1.0	-49.39	312.83	2.67	-46.72
CCCC(NC(=O)C=CC1=NC=CC=C1C)C1=N[N-]N=N1	REAL250004607365	0	38	-1.0	-47.53	323.85	3.83	-43.70
CCCC(NC(=O)C=CC1=NC=CC=C1C)C1=NN=N[N-]1	REAL250004607365	1	38	-1.0	-47.52	323.91	3.84	-43.68
CCCC(NC(=O)C1=CSC=C1CC)C1=N[N-]N=N1	REAL250004607366	0	35	-1.0	-46.19	303.04	3.96	-42.23
CCCC(NC(=O)C1=CSC=C1CC)C1=NN=N[N-]1	REAL250004607366	1	35	-1.0	-46.18	303.10	3.97	-42.21
CCCC(NC(=O)C1CC(C(C)C)C1)C1=N[N-]N=N1	REAL250004607367	0	41	-1.0	-45.02	327.44	4.55	-40.47
CCCC(NC(=O)C1CC(C(C)C)C1)C1=NN=N[N-]1	REAL250004607367	1	41	-1.0	-45.00	327.50	4.57	-40.43
CCCC(NC(=O)C1=NNC(=O)C(C)=C1)C1=N[N-]N=N1	REAL250004607368	0	34	-1.0	-42.08	296.19	-0.21	-42.29
CCCC(NC(=O)C1=NNC(=O)C(C)=C1)C1=NN=N[N-]1	REAL250004607368	1	34	-1.0	-42.12	296.25	-0.19	-42.31
CCCC(NC(=O)C1=C2C=CC=CN2N=N1)C1=NN=N[N-]1	REAL250004607369	0	34	-1.0	-53.02	298.01	2.00	-51.02
CCCC(NC(=O)C1=C2C=CC=CN2N=N1)C1=N[N-]N=N1	REAL250004607369	1	34	-1.0	-53.00	297.95	1.98	-51.02
CCCC(NC(=O)CC1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004607370	0	47	-1.0	-45.39	356.80	5.67	-39.72
CCCC(NC(=O)CC1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004607370	1	47	-1.0	-45.43	356.86	5.68	-39.75
CCCC(NC(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004607371	0	36	-1.0	-46.30	307.51	2.27	-44.03
CCCC(NC(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004607371	1	36	-1.0	-46.31	307.45	2.25	-44.06
CCCC(NC(=O)C1=NC=CC(C)=N1)C1=N[N-]N=N1	REAL250004607372	0	33	-1.0	-52.16	288.81	1.72	-50.44
CCCC(NC(=O)C1=NC=CC(C)=N1)C1=NN=N[N-]1	REAL250004607372	1	33	-1.0	-52.16	288.86	1.73	-50.43
CCCC(NC(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL250004607373	0	35	-1.0	-47.75	312.73	2.57	-45.18
CCCC(NC(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL250004607373	1	35	-1.0	-47.76	312.67	2.55	-45.21
CCCC(NC(=O)C1=CN=CN(C)C1=O)C1=NN=N[N-]1	REAL250004607374	0	34	-1.0	-57.06	292.03	2.44	-54.62
CCCC(NC(=O)C1=CN=CN(C)C1=O)C1=N[N-]N=N1	REAL250004607374	1	34	-1.0	-57.04	291.97	2.43	-54.61
CCCC(NC(=O)CC=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004607375	0	42	-1.0	-47.00	351.36	6.29	-40.71
CCCC(NC(=O)CC=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004607375	1	42	-1.0	-46.98	351.42	6.30	-40.68
CCCC(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004607376	0	36	-1.0	-46.42	308.83	4.81	-41.61
CCCC(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004607376	1	36	-1.0	-46.46	308.89	4.83	-41.63
CCCC(NC(=O)C1CCCN2C=NN=C12)C1=N[N-]N=N1	REAL250004607377	0	38	-1.0	-50.02	312.26	4.52	-45.50
CCCC(NC(=O)C1CCCN2C=NN=C12)C1=NN=N[N-]1	REAL250004607377	1	38	-1.0	-50.10	312.32	4.54	-45.56
CCCC(NC(=O)CCC1(C)N=N1)C1=N[N-]N=N1	REAL250004607378	0	34	-1.0	-42.32	292.57	-2.05	-44.37
CCCC(NC(=O)CCC1(C)N=N1)C1=NN=N[N-]1	REAL250004607378	1	34	-1.0	-42.29	292.63	-2.04	-44.33
CCCC(NC(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004607379	0	33	-1.0	-45.61	297.17	1.42	-44.19
CCCC(NC(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004607379	1	33	-1.0	-45.59	297.11	1.41	-44.18
CCCC(NC(=O)CC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004607380	0	40	-1.0	-51.63	325.76	4.24	-47.39
CCCC(NC(=O)CC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004607380	1	40	-1.0	-51.68	325.82	4.25	-47.43
CCCC(NC(=O)C#CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL250004607381	0	38	-1.0	-46.61	335.54	4.30	-42.31
CCCC(NC(=O)C#CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL250004607381	1	38	-1.0	-46.60	335.60	4.32	-42.28
CCCC(NC(=O)C1=CC2=CN=CN=C2N1)C1=NN=N[N-]1	REAL250004607382	0	34	-1.0	-43.99	297.63	2.66	-41.33
CCCC(NC(=O)C1=CC2=CN=CN=C2N1)C1=N[N-]N=N1	REAL250004607382	1	34	-1.0	-44.01	297.57	2.65	-41.36
CCCC(NC(=O)CCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004607383	0	42	-1.0	-43.64	340.98	3.83	-39.81
CCCC(NC(=O)CCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004607383	1	42	-1.0	-43.64	341.04	3.84	-39.80
CCCC(NC(=O)C1=CN=CC(F)=N1)C1=NN=N[N-]1	REAL250004607384	0	30	-1.0	-42.24	272.78	0.01	-42.23
CCCC(NC(=O)C1=CN=CC(F)=N1)C1=N[N-]N=N1	REAL250004607384	1	30	-1.0	-42.25	272.73	-0.00	-42.25
CCCC(NC(=O)C1=CC=C(C#N)N=C1C)C1=N[N-]N=N1	REAL250004607385	0	35	-1.0	-44.68	306.53	2.80	-41.88
CCCC(NC(=O)C1=CC=C(C#N)N=C1C)C1=NN=N[N-]1	REAL250004607385	1	35	-1.0	-44.71	306.59	2.81	-41.90
CCCC(NC(=O)C1=CC(C2CC2)=CC=N1)C1=N[N-]N=N1	REAL250004607386	0	38	-1.0	-47.64	320.97	4.00	-43.64
CCCC(NC(=O)C1=CC(C2CC2)=CC=N1)C1=NN=N[N-]1	REAL250004607386	1	38	-1.0	-47.62	321.03	4.01	-43.61
CCCC(NC(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004607387	0	40	-1.0	-47.44	335.79	1.21	-46.23
CCCC(NC(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004607387	1	40	-1.0	-47.44	335.73	1.19	-46.25
CCCC(NC(=O)C1=CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004607388	0	37	-1.0	-47.03	314.85	5.37	-41.66
CCCC(NC(=O)C1=CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004607388	1	37	-1.0	-47.02	314.91	5.39	-41.63
CCCC(NC(=O)C1=CC(C)=CC=N1)C1=N[N-]N=N1	REAL250004607389	0	34	-1.0	-47.93	293.00	2.57	-45.36
CCCC(NC(=O)C1=CC(C)=CC=N1)C1=NN=N[N-]1	REAL250004607389	1	34	-1.0	-47.91	293.06	2.58	-45.33
CCCC(NC(=O)C1CC(C)(F)C1)C1=N[N-]N=N1	REAL250004607390	0	35	-1.0	-43.90	293.08	3.28	-40.62
CCCC(NC(=O)C1CC(C)(F)C1)C1=NN=N[N-]1	REAL250004607390	1	35	-1.0	-43.87	293.14	3.30	-40.57
C=CCCC(CC(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607391	0	47	-1.0	-44.47	365.63	5.88	-38.59
C=CCCC(CC(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607391	1	47	-1.0	-44.45	365.69	5.89	-38.56
C=CCC(CC(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607392	0	44	-1.0	-45.59	346.04	5.00	-40.59
C=CCC(CC(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607392	1	44	-1.0	-45.61	346.10	5.01	-40.60
CCCC(NC(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004607393	0	42	-1.0	-40.67	339.00	2.70	-37.97
CCCC(NC(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004607393	1	42	-1.0	-40.68	339.05	2.72	-37.96
CCCC(NC(=O)C1CCC(C)O1)C1=N[N-]N=N1	REAL250004607394	0	36	-1.0	-50.14	296.25	2.67	-47.47
CCCC(NC(=O)C1CCC(C)O1)C1=NN=N[N-]1	REAL250004607394	1	36	-1.0	-50.15	296.31	2.70	-47.45
CCCC(NC(=O)C1=CN=C2N=CC=CN12)C1=NN=N[N-]1	REAL250004607395	0	34	-1.0	-50.99	293.25	4.66	-46.33
CCCC(NC(=O)C1=CN=C2N=CC=CN12)C1=N[N-]N=N1	REAL250004607395	1	34	-1.0	-50.97	293.19	4.64	-46.33
CCCC(NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004607396	0	38	-1.0	-44.70	321.24	4.92	-39.78
CCCC(NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004607396	1	38	-1.0	-44.69	321.30	4.93	-39.76
CCCC(NC(=O)C1=CC=NN1CC1CC1)C1=NN=N[N-]1	REAL250004607397	0	39	-1.0	-44.01	327.40	3.78	-40.23
CCCC(NC(=O)C1=CC=NN1CC1CC1)C1=N[N-]N=N1	REAL250004607397	1	39	-1.0	-44.05	327.34	3.77	-40.28
CCCC(NC(=O)C1CCC(F)(F)CO1)C1=N[N-]N=N1	REAL250004607398	0	36	-1.0	-51.31	304.97	2.86	-48.45
CCCC(NC(=O)C1CCC(F)(F)CO1)C1=NN=N[N-]1	REAL250004607398	1	36	-1.0	-51.28	305.02	2.87	-48.41
CCCC(NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=N[N-]N=N1	REAL250004607399	0	42	-1.0	-44.79	333.60	2.99	-41.80
CCCC(NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=NN=N[N-]1	REAL250004607399	1	42	-1.0	-44.84	333.66	3.01	-41.83
CCCC(NC(=O)C1CC2(CC2F)C1)C1=N[N-]N=N1	REAL250004607400	0	36	-1.0	-43.99	304.36	4.05	-39.94
CCCC(NC(=O)C1CC2(CC2F)C1)C1=NN=N[N-]1	REAL250004607400	1	36	-1.0	-43.97	304.42	4.06	-39.91
CCCC(NC(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL250004607401	0	36	-1.0	-52.91	310.23	2.32	-50.59
CCCC(NC(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL250004607401	1	36	-1.0	-52.90	310.29	2.34	-50.56
CCCC(NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=N[N-]N=N1	REAL250004607402	0	36	-1.0	-47.50	310.39	2.46	-45.04
CCCC(NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=NN=N[N-]1	REAL250004607402	1	36	-1.0	-47.50	310.45	2.48	-45.02
CCCC(NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004607403	0	41	-1.0	-47.98	336.26	5.51	-42.47
CCCC(NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004607403	1	41	-1.0	-48.00	336.32	5.53	-42.47
CCCC(NC(=O)C1=CN=C(OC)C=C1C)C1=N[N-]N=N1	REAL250004607404	0	38	-1.0	-43.86	317.69	1.05	-42.81
CCCC(NC(=O)C1=CN=C(OC)C=C1C)C1=NN=N[N-]1	REAL250004607404	1	38	-1.0	-43.83	317.75	1.06	-42.77
CCCC(NC(=O)C[C@@H]1CC=CCC1)C1=N[N-]N=N1	REAL250004607405	0	39	-1.0	-46.57	310.77	4.49	-42.08
CCCC(NC(=O)C[C@@H]1CC=CCC1)C1=NN=N[N-]1	REAL250004607405	1	39	-1.0	-46.54	310.83	4.51	-42.03
CCCC(NC(=O)C1=CC(CC)=CN1)C1=N[N-]N=N1	REAL250004607406	0	36	-1.0	-48.24	304.77	2.86	-45.38
CCCC(NC(=O)C1=CC(CC)=CN1)C1=NN=N[N-]1	REAL250004607406	1	36	-1.0	-48.27	304.83	2.87	-45.40
CCCC(NC(=O)C1=C2CCCCC2=CN1)C1=N[N-]N=N1	REAL250004607407	0	40	-1.0	-49.02	322.15	3.89	-45.13
CCCC(NC(=O)C1=C2CCCCC2=CN1)C1=NN=N[N-]1	REAL250004607407	1	40	-1.0	-49.03	322.21	3.91	-45.12
CCCC(NC(=O)C=CCOCCOC)C1=N[N-]N=N1	REAL250004607408	0	40	-1.0	-49.89	341.32	1.20	-48.69
CCCC(NC(=O)C=CCOCCOC)C1=NN=N[N-]1	REAL250004607408	1	40	-1.0	-49.84	341.38	1.22	-48.62
CCCC(NC(=O)C=CC1CCCO1)C1=N[N-]N=N1	REAL250004607409	0	37	-1.0	-46.69	309.06	2.19	-44.50
CCCC(NC(=O)C=CC1CCCO1)C1=NN=N[N-]1	REAL250004607409	1	37	-1.0	-46.71	309.12	2.20	-44.51
CCCC(NC(=O)C1CC=C(C)CC1)C1=N[N-]N=N1	REAL250004607410	0	39	-1.0	-44.39	313.39	4.38	-40.01
CCCC(NC(=O)C1CC=C(C)CC1)C1=NN=N[N-]1	REAL250004607410	1	39	-1.0	-44.35	313.44	4.40	-39.95
CCCC(NC(=O)C[C@@H](CC)C(C)C)C1=N[N-]N=N1	REAL250004607411	0	43	-1.0	-44.83	327.27	4.32	-40.51
CCCC(NC(=O)C[C@@H](CC)C(C)C)C1=NN=N[N-]1	REAL250004607411	1	43	-1.0	-44.82	327.33	4.33	-40.49
CCCC(NC(=O)CC1=C(C)C=CS1)C1=N[N-]N=N1	REAL250004607412	0	35	-1.0	-46.83	308.31	3.99	-42.84
CCCC(NC(=O)CC1=C(C)C=CS1)C1=NN=N[N-]1	REAL250004607412	1	35	-1.0	-46.81	308.37	4.01	-42.80
CCCC(NC(=O)C(CC)N1C=NC=N1)C1=NN=N[N-]1	REAL250004607413	0	37	-1.0	-43.39	309.89	4.17	-39.22
CCCC(NC(=O)C(CC)N1C=NC=N1)C1=N[N-]N=N1	REAL250004607413	1	37	-1.0	-43.35	309.83	4.15	-39.20
CCCC(NC(=O)CN1N=C(C)C(C)=C1C)C1=N[N-]N=N1	REAL250004607414	0	41	-1.0	-49.34	340.51	3.34	-46.00
CCCC(NC(=O)CN1N=C(C)C(C)=C1C)C1=NN=N[N-]1	REAL250004607414	1	41	-1.0	-49.33	340.57	3.36	-45.97
CCCC(NC(=O)C1=CSC(C(C)=O)=N1)C1=N[N-]N=N1	REAL250004607415	0	33	-1.0	-51.84	305.66	1.16	-50.68
CCCC(NC(=O)C1=CSC(C(C)=O)=N1)C1=NN=N[N-]1	REAL250004607415	1	33	-1.0	-51.81	305.72	1.18	-50.63
CCCC(NC(=O)C1=CN2N=CC=C2C=C1)C1=NN=N[N-]1	REAL250004607416	0	35	-1.0	-48.50	301.47	3.43	-45.07
CCCC(NC(=O)C1=CN2N=CC=C2C=C1)C1=N[N-]N=N1	REAL250004607416	1	35	-1.0	-48.52	301.41	3.41	-45.11
CCCC(NC(=O)C1CCCC2=NN=CN21)C1=N[N-]N=N1	REAL250004607417	0	38	-1.0	-44.43	305.99	4.39	-40.04
CCCC(NC(=O)C1CCCC2=NN=CN21)C1=NN=N[N-]1	REAL250004607417	1	38	-1.0	-44.43	306.04	4.41	-40.02
CCCC(NC(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL250004607418	0	45	-1.0	-50.33	347.77	4.36	-45.97
CCCC(NC(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL250004607418	1	45	-1.0	-50.32	347.82	4.37	-45.95
CCCC(NC(=O)C(OC)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004607419	0	38	-1.0	-53.44	325.68	2.68	-50.76
CCCC(NC(=O)C(OC)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004607419	1	38	-1.0	-53.43	325.62	2.67	-50.76
CCCC(NC(=O)C1CCC(=O)N1CC)C1=N[N-]N=N1	REAL250004607420	0	39	-1.0	-49.11	321.26	2.28	-46.83
CCCC(NC(=O)C1CCC(=O)N1CC)C1=NN=N[N-]1	REAL250004607420	1	39	-1.0	-49.14	321.32	2.29	-46.85
CCCC(NC(=O)C1=CC=NC2=C1CCC2)C1=N[N-]N=N1	REAL250004607421	0	38	-1.0	-46.11	312.16	3.70	-42.41
CCCC(NC(=O)C1=CC=NC2=C1CCC2)C1=NN=N[N-]1	REAL250004607421	1	38	-1.0	-46.12	312.21	3.72	-42.40
CCCC(NC(=O)CCC1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004607422	0	38	-1.0	-50.96	324.96	1.89	-49.07
CCCC(NC(=O)CCC1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004607422	1	38	-1.0	-51.01	325.02	1.90	-49.11
CCCC(NC(=O)C1=CSC(C)=C1CC)C1=N[N-]N=N1	REAL250004607423	0	38	-1.0	-46.46	322.67	4.67	-41.79
CCCC(NC(=O)C1=CSC(C)=C1CC)C1=NN=N[N-]1	REAL250004607423	1	38	-1.0	-46.46	322.73	4.68	-41.78
CCCC(NC(=O)C1CCOC(=O)CC1)C1=N[N-]N=N1	REAL250004607424	0	38	-1.0	-53.87	307.95	3.08	-50.79
CCCC(NC(=O)C1CCOC(=O)CC1)C1=NN=N[N-]1	REAL250004607424	1	38	-1.0	-53.90	308.01	3.10	-50.80
CCCC(NC(=O)CCCCCF)C1=N[N-]N=N1	REAL250004607425	0	37	-1.0	-47.02	309.99	3.78	-43.24
CCCC(NC(=O)CCCCCF)C1=NN=N[N-]1	REAL250004607425	1	37	-1.0	-46.99	310.05	3.80	-43.19
CCCC(NC(=O)C1=C(C)N(CC)N=N1)C1=N[N-]N=N1	REAL250004607426	0	37	-1.0	-46.50	313.78	1.32	-45.18
CCCC(NC(=O)C1=C(C)N(CC)N=N1)C1=NN=N[N-]1	REAL250004607426	1	37	-1.0	-46.45	313.83	1.34	-45.11
CCCC(NC(=O)C1CC(=O)CO1)C1=N[N-]N=N1	REAL250004607427	0	32	-1.0	-50.40	277.80	0.92	-49.48
CCCC(NC(=O)C1CC(=O)CO1)C1=NN=N[N-]1	REAL250004607427	1	32	-1.0	-50.43	277.86	0.94	-49.49
CCCC(NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=N[N-]N=N1	REAL250004607428	0	38	-1.0	-45.58	319.73	3.09	-42.49
CCCC(NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=NN=N[N-]1	REAL250004607428	1	38	-1.0	-45.57	319.79	3.10	-42.47
CCCC(NC(=O)CN1N=NN=C1C)C1=N[N-]N=N1	REAL250004607429	0	33	-1.0	-56.51	289.78	0.71	-55.80
CCCC(NC(=O)CN1N=NN=C1C)C1=NN=N[N-]1	REAL250004607429	1	33	-1.0	-56.52	289.83	0.73	-55.79
CCCC(NC(=O)CC1CC(C(F)F)C1)C1=N[N-]N=N1	REAL250004607430	0	38	-1.0	-44.83	318.52	4.22	-40.61
CCCC(NC(=O)CC1CC(C(F)F)C1)C1=NN=N[N-]1	REAL250004607430	1	38	-1.0	-44.83	318.58	4.24	-40.59
CCCC(NC(=O)C1=C(Cl)C=C(C)S1)C1=N[N-]N=N1	REAL250004607431	0	32	-1.0	-46.72	301.95	3.94	-42.78
CCCC(NC(=O)C1=C(Cl)C=C(C)S1)C1=NN=N[N-]1	REAL250004607431	1	32	-1.0	-46.68	302.01	3.95	-42.73
CCCC(NC(=O)CC1=CN=NN1C)C1=N[N-]N=N1	REAL250004607432	0	34	-1.0	-52.85	293.30	0.62	-52.23
CCCC(NC(=O)CC1=CN=NN1C)C1=NN=N[N-]1	REAL250004607432	1	34	-1.0	-52.87	293.35	0.63	-52.24
CCCC(NC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=N[N-]N=N1	REAL250004607433	0	33	-1.0	-47.80	284.47	3.38	-44.42
CCCC(NC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=NN=N[N-]1	REAL250004607433	1	33	-1.0	-47.73	284.53	3.39	-44.34
CCCC(NC(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL250004607434	0	42	-1.0	-46.48	348.78	6.63	-39.85
CCCC(NC(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL250004607434	1	42	-1.0	-46.51	348.84	6.65	-39.86
CCCC(NC(=O)C1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004607435	0	30	-1.0	-46.48	273.61	1.18	-45.30
CCCC(NC(=O)C1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004607435	1	30	-1.0	-46.51	273.55	1.17	-45.34
CCCC(NC(=O)C1CCOCC1(C)C)C1=N[N-]N=N1	REAL250004607436	0	42	-1.0	-47.34	322.77	2.62	-44.72
CCCC(NC(=O)C1CCOCC1(C)C)C1=NN=N[N-]1	REAL250004607436	1	42	-1.0	-47.32	322.83	2.62	-44.70
CCCC(NC(=O)C1=CC=CC2=NN=CN21)C1=NN=N[N-]1	REAL250004607437	0	34	-1.0	-52.33	292.34	4.60	-47.73
CCCC(NC(=O)C1=CC=CC2=NN=CN21)C1=N[N-]N=N1	REAL250004607437	1	34	-1.0	-52.30	292.29	4.58	-47.72
CCCC(NC(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004607438	0	35	-1.0	-51.25	314.48	2.20	-49.05
CCCC(NC(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004607438	1	35	-1.0	-51.20	314.42	2.18	-49.02
CCCC(NC(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL250004607439	0	45	-1.0	-48.88	342.62	4.01	-44.87
CCCC(NC(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL250004607439	1	45	-1.0	-48.93	342.68	4.03	-44.90
CCCC(NC(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004607440	0	43	-1.0	-46.31	350.19	2.49	-43.82
CCCC(NC(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004607440	1	43	-1.0	-46.30	350.25	2.50	-43.80
CCCC(NC(=O)CN1N=NC(C)=N1)C1=N[N-]N=N1	REAL250004607441	0	33	-1.0	-50.93	291.22	0.34	-50.59
CCCC(NC(=O)CN1N=NC(C)=N1)C1=NN=N[N-]1	REAL250004607441	1	33	-1.0	-50.90	291.28	0.36	-50.54
CCCC(NC(=O)C1=CC=C2C=COC2=C1)C1=N[N-]N=N1	REAL250004607442	0	35	-1.0	-49.62	301.46	3.98	-45.64
CCCC(NC(=O)C1=CC=C2C=COC2=C1)C1=NN=N[N-]1	REAL250004607442	1	35	-1.0	-49.60	301.52	3.99	-45.61
C#CC1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL250004607443	0	34	-1.0	-49.32	301.55	4.82	-44.50
C#CC1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL250004607443	1	34	-1.0	-49.32	301.61	4.83	-44.49
CCCC(NC(=O)C1=CC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL250004607444	0	38	-1.0	-56.31	315.74	1.98	-54.33
CCCC(NC(=O)C1=CC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL250004607444	1	38	-1.0	-56.30	315.79	1.99	-54.31
CCCC(NC(=O)C1=NN(CC)C(C)=C1)C1=N[N-]N=N1	REAL250004607445	0	38	-1.0	-50.67	321.89	2.78	-47.89
CCCC(NC(=O)C1=NN(CC)C(C)=C1)C1=NN=N[N-]1	REAL250004607445	1	38	-1.0	-50.69	321.94	2.80	-47.89
CCCC(NC(=O)C1=CC=CN1CCC)C1=N[N-]N=N1	REAL250004607446	0	39	-1.0	-46.35	321.94	4.70	-41.65
CCCC(NC(=O)C1=CC=CN1CCC)C1=NN=N[N-]1	REAL250004607446	1	39	-1.0	-46.37	321.99	4.72	-41.65
CCCC(NC(=O)CC1CC2CC2C1)C1=N[N-]N=N1	REAL250004607447	0	39	-1.0	-46.24	312.44	4.70	-41.54
CCCC(NC(=O)CC1CC2CC2C1)C1=NN=N[N-]1	REAL250004607447	1	39	-1.0	-46.27	312.50	4.73	-41.54
CCCC(NC(=O)C1=CCCOC1)C1=N[N-]N=N1	REAL250004607448	0	34	-1.0	-46.47	281.62	1.48	-44.99
CCCC(NC(=O)C1=CCCOC1)C1=NN=N[N-]1	REAL250004607448	1	34	-1.0	-46.43	281.68	1.49	-44.94
CCCC(NC(=O)C1=NON=C1CC)C1=N[N-]N=N1	REAL250004607449	0	33	-1.0	-38.88	289.15	1.62	-37.26
CCCC(NC(=O)C1=NON=C1CC)C1=NN=N[N-]1	REAL250004607449	1	33	-1.0	-38.93	289.20	1.63	-37.30
CCCC(NC(=O)C1=CN2N=NC=C2C=C1)C1=NN=N[N-]1	REAL250004607450	0	34	-1.0	-49.54	296.16	2.14	-47.40
CCCC(NC(=O)C1=CN2N=NC=C2C=C1)C1=N[N-]N=N1	REAL250004607450	1	34	-1.0	-49.58	296.10	2.13	-47.45
CCCC(NC(=O)C1=CN(CCO)N=N1)C1=NN=N[N-]1	REAL250004607451	0	35	-1.0	-46.29	308.41	-2.54	-48.83
CCCC(NC(=O)C1=CN(CCO)N=N1)C1=N[N-]N=N1	REAL250004607451	1	35	-1.0	-46.33	308.36	-2.55	-48.88
CCCC(NC(=O)CCNC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004607452	0	38	-1.0	-47.68	323.89	1.29	-46.39
CCCC(NC(=O)CCNC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004607452	1	38	-1.0	-47.65	323.83	1.27	-46.38
CCCC(NC(=O)CC1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004607453	0	42	-1.0	-46.17	335.69	5.22	-40.95
CCCC(NC(=O)CC1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004607453	1	42	-1.0	-46.22	335.75	5.24	-40.98
CCCC(NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004607454	0	39	-1.0	-49.06	327.20	2.80	-46.26
CCCC(NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004607454	1	39	-1.0	-49.07	327.26	2.83	-46.24
CCCC(NC(=O)C1=NOC(CF)=C1)C1=N[N-]N=N1	REAL250004607455	0	31	-1.0	-45.21	281.52	1.85	-43.36
CCCC(NC(=O)C1=NOC(CF)=C1)C1=NN=N[N-]1	REAL250004607455	1	31	-1.0	-45.19	281.58	1.87	-43.32
CCCC(NC(=O)C1CCC2=CC=NN2C1)C1=N[N-]N=N1	REAL250004607456	0	39	-1.0	-44.31	319.69	2.88	-41.43
CCCC(NC(=O)C1CCC2=CC=NN2C1)C1=NN=N[N-]1	REAL250004607456	1	39	-1.0	-44.31	319.75	2.89	-41.42
CCCC(NC(=O)C1=CC=CC2=NON=C21)C1=NN=N[N-]1	REAL250004607457	0	33	-1.0	-55.72	290.62	2.49	-53.23
CCCC(NC(=O)C1=CC=CC2=NON=C21)C1=N[N-]N=N1	REAL250004607457	1	33	-1.0	-55.72	290.56	2.47	-53.25
CCCC(NC(=O)COC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004607458	0	36	-1.0	-50.55	312.69	1.98	-48.57
CCCC(NC(=O)COC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004607458	1	36	-1.0	-50.54	312.63	1.97	-48.57
CCCC(NC(=O)C1=CC(CC)=NO1)C1=N[N-]N=N1	REAL250004607459	0	34	-1.0	-41.63	296.43	2.38	-39.25
CCCC(NC(=O)C1=CC(CC)=NO1)C1=NN=N[N-]1	REAL250004607459	1	34	-1.0	-41.62	296.48	2.39	-39.23
CCCC(NC(=O)C=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004607460	0	35	-1.0	-46.24	303.88	3.06	-43.18
CCCC(NC(=O)C=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004607460	1	35	-1.0	-46.18	303.93	3.09	-43.09
CCCC(NC(=O)C1CC(=O)CC12CCC2)C1=N[N-]N=N1	REAL250004607461	0	41	-1.0	-55.11	327.95	4.07	-51.04
CCCC(NC(=O)C1CC(=O)CC12CCC2)C1=NN=N[N-]1	REAL250004607461	1	41	-1.0	-55.18	328.01	4.07	-51.11
CCCC(NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=N[N-]N=N1	REAL250004607462	0	38	-1.0	-49.26	322.57	3.57	-45.69
CCCC(NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=NN=N[N-]1	REAL250004607462	1	38	-1.0	-49.32	322.63	3.59	-45.73
CCCC(NC(=O)C1CC2=CC=CN=C2C1)C1=N[N-]N=N1	REAL250004607463	0	38	-1.0	-48.15	316.10	3.59	-44.56
CCCC(NC(=O)C1CC2=CC=CN=C2C1)C1=NN=N[N-]1	REAL250004607463	1	38	-1.0	-48.20	316.16	3.60	-44.60
CCCC(NC(=O)C1CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004607464	0	37	-1.0	-53.77	315.55	3.56	-50.21
CCCC(NC(=O)C1CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004607464	1	37	-1.0	-53.74	315.61	3.57	-50.17
CCCC(NC(=O)C1COC(=O)O1)C1=N[N-]N=N1	REAL250004607465	0	30	-1.0	-53.12	267.52	1.72	-51.40
CCCC(NC(=O)C1COC(=O)O1)C1=NN=N[N-]1	REAL250004607465	1	30	-1.0	-53.17	267.58	1.73	-51.44
CCCC(NC(=O)C(C)C1CCOC1)C1=N[N-]N=N1	REAL250004607466	0	39	-1.0	-45.39	310.28	1.91	-43.48
CCCC(NC(=O)C(C)C1CCOC1)C1=NN=N[N-]1	REAL250004607466	1	39	-1.0	-45.41	310.34	1.92	-43.49
CCCC(NC(=O)C1COC2COCC21)C1=N[N-]N=N1	REAL250004607467	0	38	-1.0	-49.52	303.84	0.16	-49.36
CCCC(NC(=O)C1COC2COCC21)C1=NN=N[N-]1	REAL250004607467	1	38	-1.0	-49.55	303.90	0.17	-49.38
CCCC(NC(=O)CC1OCCC1C)C1=N[N-]N=N1	REAL250004607468	0	39	-1.0	-48.55	309.36	2.71	-45.84
CCCC(NC(=O)CC1OCCC1C)C1=NN=N[N-]1	REAL250004607468	1	39	-1.0	-48.57	309.42	2.73	-45.84
CCCC(NC(=O)CC1CC(OC)C1(C)C)C1=N[N-]N=N1	REAL250004607469	0	45	-1.0	-47.95	355.24	3.50	-44.45
CCCC(NC(=O)CC1CC(OC)C1(C)C)C1=NN=N[N-]1	REAL250004607469	1	45	-1.0	-47.98	355.29	3.52	-44.46
CCCC(NC(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004607470	0	39	-1.0	-46.35	327.02	4.68	-41.67
CCCC(NC(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004607470	1	39	-1.0	-46.34	327.08	4.69	-41.65
CCCC(NC(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004607471	0	39	-1.0	-48.92	316.68	4.51	-44.41
CCCC(NC(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004607471	1	39	-1.0	-48.92	316.74	4.53	-44.39
C=C1CC2(C1)CC(C(=O)NC(CCC)C1=N[N-]N=N1)C2	REAL250004607472	0	40	-1.0	-44.39	328.05	4.98	-39.41
C=C1CC2(C1)CC(C(=O)NC(CCC)C1=NN=N[N-]1)C2	REAL250004607472	1	40	-1.0	-44.39	328.10	5.00	-39.39
CCCC(NC(=O)C1CCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004607473	0	36	-1.0	-47.82	297.45	3.83	-43.99
CCCC(NC(=O)C1CCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004607473	1	36	-1.0	-47.82	297.51	3.84	-43.98
CCCC(NC(=O)CN1N=CC(Cl)=C1C)C1=N[N-]N=N1	REAL250004607474	0	35	-1.0	-51.00	317.25	2.68	-48.32
CCCC(NC(=O)CN1N=CC(Cl)=C1C)C1=NN=N[N-]1	REAL250004607474	1	35	-1.0	-50.99	317.30	2.70	-48.29
CCCC(NC(=O)CC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004607475	0	42	-1.0	-46.40	322.35	4.88	-41.52
CCCC(NC(=O)CC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004607475	1	42	-1.0	-46.39	322.41	4.90	-41.49
CCCC(NC(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004607476	0	40	-1.0	-47.82	329.91	5.85	-41.97
CCCC(NC(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004607476	1	40	-1.0	-47.80	329.97	5.87	-41.93
CCCOCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607477	0	41	-1.0	-47.50	337.43	2.92	-44.58
CCCOCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607477	1	41	-1.0	-47.50	337.49	2.93	-44.57
CCCC(NC(=O)C1=CN2C=NN=C2C=N1)C1=NN=N[N-]1	REAL250004607478	0	33	-1.0	-44.94	292.47	3.20	-41.74
CCCC(NC(=O)C1=CN2C=NN=C2C=N1)C1=N[N-]N=N1	REAL250004607478	1	33	-1.0	-44.92	292.41	3.18	-41.74
CCCC(NC(=O)C1=C(C#N)C=NN1C)C1=NN=N[N-]1	REAL250004607479	0	33	-1.0	-51.25	301.54	1.50	-49.75
CCCC(NC(=O)C1=C(C#N)C=NN1C)C1=N[N-]N=N1	REAL250004607479	1	33	-1.0	-51.28	301.48	1.49	-49.79
CCCC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004607480	0	37	-1.0	-48.37	310.16	3.99	-44.38
CCCC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004607480	1	37	-1.0	-48.37	310.10	3.97	-44.40
CCCC(NC(=O)CC(C)C(C)C(C)C)C1=N[N-]N=N1	REAL250004607481	0	46	-1.0	-44.72	343.82	4.82	-39.90
CCCC(NC(=O)CC(C)C(C)C(C)C)C1=NN=N[N-]1	REAL250004607481	1	46	-1.0	-44.75	343.88	4.84	-39.91
CCCC(NC(=O)C1CC2(CC(OC)C2)C1)C1=N[N-]N=N1	REAL250004607482	0	43	-1.0	-46.86	347.93	3.42	-43.44
CCCC(NC(=O)C1CC2(CC(OC)C2)C1)C1=NN=N[N-]1	REAL250004607482	1	43	-1.0	-46.91	347.99	3.43	-43.48
CCCC(NC(=O)[C@]12C[C@H]1[C@H](OC)C2)C1=N[N-]N=N1	REAL250004607483	0	37	-1.0	-51.37	311.28	2.27	-49.10
CCCC(NC(=O)[C@]12C[C@H]1[C@H](OC)C2)C1=NN=N[N-]1	REAL250004607483	1	37	-1.0	-51.38	311.34	2.28	-49.10
CCCC(NC(=O)C1CCC(C)(C)OC1)C1=N[N-]N=N1	REAL250004607484	0	42	-1.0	-44.52	325.88	2.64	-41.88
CCCC(NC(=O)C1CCC(C)(C)OC1)C1=NN=N[N-]1	REAL250004607484	1	42	-1.0	-44.53	325.94	2.66	-41.87
CCCC(NC(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL250004607485	0	42	-1.0	-59.73	331.13	1.15	-58.58
CCCC(NC(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL250004607485	1	42	-1.0	-59.76	331.19	1.16	-58.60
CCCC(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004607486	0	38	-1.0	-61.00	322.24	5.13	-55.87
CCCC(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004607486	1	38	-1.0	-61.03	322.18	5.11	-55.92
CCCC(NC(=O)CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004607487	0	39	-1.0	-44.46	306.15	3.04	-41.42
CCCC(NC(=O)CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004607487	1	39	-1.0	-44.51	306.21	3.06	-41.45
CCCC(NC(=O)C1=NC2=CC=CNC2=C1)C1=N[N-]N=N1	REAL250004607488	0	35	-1.0	-66.70	304.26	1.77	-64.93
CCCC(NC(=O)C1=NC2=CC=CNC2=C1)C1=NN=N[N-]1	REAL250004607488	1	35	-1.0	-66.69	304.31	1.79	-64.90
CCCC(NC(=O)C1C2C3CC1C(=O)C32)C1=N[N-]N=N1	REAL250004607489	0	36	-1.0	-43.48	299.14	3.33	-40.15
CCCC(NC(=O)C1C2C3CC1C(=O)C32)C1=NN=N[N-]1	REAL250004607489	1	36	-1.0	-43.49	299.20	3.35	-40.14
CCCC(NC(=O)C1=CC=CN2N=NC=C12)C1=NN=N[N-]1	REAL250004607490	0	34	-1.0	-53.84	294.82	2.13	-51.71
CCCC(NC(=O)C1=CC=CN2N=NC=C12)C1=N[N-]N=N1	REAL250004607490	1	34	-1.0	-53.88	294.77	2.11	-51.77
CCCC(NC(=O)C1=CC=C(COC)N1)C1=N[N-]N=N1	REAL250004607491	0	37	-1.0	-47.42	315.86	1.11	-46.31
CCCC(NC(=O)C1=CC=C(COC)N1)C1=NN=N[N-]1	REAL250004607491	1	37	-1.0	-47.45	315.92	1.13	-46.32
CCCC(NC(=O)CC1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004607492	0	39	-1.0	-45.81	319.19	4.76	-41.05
CCCC(NC(=O)CC1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004607492	1	39	-1.0	-45.85	319.24	4.77	-41.08
CCCC(NC(=O)CC1=CC(C)=NN1C)C1=N[N-]N=N1	REAL250004607493	0	38	-1.0	-49.75	321.12	2.38	-47.37
CCCC(NC(=O)CC1=CC(C)=NN1C)C1=NN=N[N-]1	REAL250004607493	1	38	-1.0	-49.71	321.18	2.40	-47.31
CCCC(NC(=O)C(C)CC(C)CC)C1=N[N-]N=N1	REAL250004607494	0	43	-1.0	-45.33	333.46	4.54	-40.79
CCCC(NC(=O)C(C)CC(C)CC)C1=NN=N[N-]1	REAL250004607494	1	43	-1.0	-45.32	333.52	4.56	-40.76
CCCC(NC(=O)CCC(=O)N(C)C(C)C)C1=N[N-]N=N1	REAL250004607495	0	44	-1.0	-45.58	354.29	3.09	-42.49
CCCC(NC(=O)CCC(=O)N(C)C(C)C)C1=NN=N[N-]1	REAL250004607495	1	44	-1.0	-45.59	354.35	3.11	-42.48
CCCC(NC(=O)CC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004607496	0	32	-1.0	-44.30	305.95	3.85	-40.45
CCCC(NC(=O)CC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004607496	1	32	-1.0	-44.28	306.00	3.85	-40.43
CCCC(NC(=O)CC(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004607497	0	37	-1.0	-47.29	311.61	3.67	-43.62
CCCC(NC(=O)CC(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004607497	1	37	-1.0	-47.32	311.67	3.68	-43.64
CCCC(NC(=O)C1CC12CC(C)(C)C2)C1=N[N-]N=N1	REAL250004607498	0	42	-1.0	-46.33	337.33	5.13	-41.20
CCCC(NC(=O)C1CC12CC(C)(C)C2)C1=NN=N[N-]1	REAL250004607498	1	42	-1.0	-46.36	337.39	5.14	-41.22
CCCC(NC(=O)C1CCCC12CCC2)C1=N[N-]N=N1	REAL250004607499	0	42	-1.0	-46.05	326.22	4.87	-41.18
CCCC(NC(=O)C1CCCC12CCC2)C1=NN=N[N-]1	REAL250004607499	1	42	-1.0	-46.03	326.28	4.88	-41.15
C#CC1=CC=C(OCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL250004607500	0	38	-1.0	-49.61	335.07	5.38	-44.23
C#CC1=CC=C(OCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL250004607500	1	38	-1.0	-49.56	335.13	5.39	-44.17
CCCC(NC(=O)C1CC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL250004607501	0	38	-1.0	-46.49	317.75	3.71	-42.78
CCCC(NC(=O)C1CC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL250004607501	1	38	-1.0	-46.50	317.81	3.73	-42.77
CCCC(NC(=O)CC12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004607502	0	40	-1.0	-48.18	321.53	2.51	-45.67
CCCC(NC(=O)CC12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004607502	1	40	-1.0	-48.23	321.59	2.53	-45.70
CCCC(NC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=N[N-]N=N1	REAL250004607503	0	45	-1.0	-48.66	336.46	5.25	-43.41
CCCC(NC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=NN=N[N-]1	REAL250004607503	1	45	-1.0	-48.63	336.51	5.26	-43.37
CCCC(NC(=O)CCC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004607504	0	45	-1.0	-44.79	347.53	5.61	-39.18
CCCC(NC(=O)CCC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004607504	1	45	-1.0	-44.80	347.58	5.62	-39.18
CCCC(NC(=O)CC12CC(C1)C(=O)NC2)C1=N[N-]N=N1	REAL250004607505	0	40	-1.0	-49.51	321.63	0.80	-48.71
CCCC(NC(=O)CC12CC(C1)C(=O)NC2)C1=NN=N[N-]1	REAL250004607505	1	40	-1.0	-49.52	321.68	0.81	-48.71
CCCC(NC(=O)C1=CN=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL250004607506	0	35	-1.0	-44.06	309.50	2.70	-41.36
CCCC(NC(=O)C1=CN=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL250004607506	1	35	-1.0	-44.09	309.55	2.71	-41.38
CCCC(NC(=O)[C@@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004607507	0	32	-1.0	-55.29	277.23	2.57	-52.72
CCCC(NC(=O)[C@@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004607507	1	32	-1.0	-55.28	277.28	2.58	-52.70
CCCC(NC(=O)C(F)C1CCC1)C1=N[N-]N=N1	REAL250004607508	0	35	-1.0	-46.41	290.96	3.36	-43.05
CCCC(NC(=O)C(F)C1CCC1)C1=NN=N[N-]1	REAL250004607508	1	35	-1.0	-46.42	291.02	3.37	-43.05
CCCC(NC(=O)C(F)C1CCOC1)C1=N[N-]N=N1	REAL250004607509	0	36	-1.0	-47.39	297.09	1.41	-45.98
CCCC(NC(=O)C(F)C1CCOC1)C1=NN=N[N-]1	REAL250004607509	1	36	-1.0	-47.38	297.15	1.41	-45.97
CCCC(NC(=O)C1CCC(C)(CC)O1)C1=N[N-]N=N1	REAL250004607510	0	42	-1.0	-49.99	333.30	3.87	-46.12
CCCC(NC(=O)C1CCC(C)(CC)O1)C1=NN=N[N-]1	REAL250004607510	1	42	-1.0	-50.02	333.36	3.89	-46.13
CCCC(NC(=O)C1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004607511	0	40	-1.0	-50.08	321.67	3.63	-46.45
CCCC(NC(=O)C1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004607511	1	40	-1.0	-50.12	321.72	3.64	-46.48
CCCC(NC(=O)C1CC2(CC(F)C2)C1)C1=N[N-]N=N1	REAL250004607512	0	39	-1.0	-46.19	321.11	4.55	-41.64
CCCC(NC(=O)C1CC2(CC(F)C2)C1)C1=NN=N[N-]1	REAL250004607512	1	39	-1.0	-46.20	321.17	4.56	-41.64
CCCC(NC(=O)C1=CC2=CN=NN2C=C1)C1=NN=N[N-]1	REAL250004607513	0	34	-1.0	-46.57	295.76	2.22	-44.35
CCCC(NC(=O)C1=CC2=CN=NN2C=C1)C1=N[N-]N=N1	REAL250004607513	1	34	-1.0	-46.59	295.70	2.21	-44.38
CCCC(NC(=O)C12CC(C1)OC2)C1=N[N-]N=N1	REAL250004607514	0	34	-1.0	-43.77	283.16	1.10	-42.67
CCCC(NC(=O)C12CC(C1)OC2)C1=NN=N[N-]1	REAL250004607514	1	34	-1.0	-43.75	283.21	1.12	-42.63
CCCC(NC(=O)CSC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004607515	0	36	-1.0	-48.44	322.69	2.60	-45.84
CCCC(NC(=O)CSC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004607515	1	36	-1.0	-48.44	322.63	2.59	-45.85
CCCC(NC(=O)CC1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004607516	0	43	-1.0	-47.89	342.34	3.93	-43.96
CCCC(NC(=O)CC1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004607516	1	43	-1.0	-47.94	342.40	3.94	-44.00
CCCC(NC(=O)C1=CC=C(CCF)C=C1)C1=N[N-]N=N1	REAL250004607517	0	38	-1.0	-46.85	323.77	5.19	-41.66
CCCC(NC(=O)C1=CC=C(CCF)C=C1)C1=NN=N[N-]1	REAL250004607517	1	38	-1.0	-46.87	323.83	5.21	-41.66
CCCC(NC(=O)C1CC2=CSC=C2C1)C1=N[N-]N=N1	REAL250004607518	0	36	-1.0	-45.19	311.39	4.30	-40.89
CCCC(NC(=O)C1CC2=CSC=C2C1)C1=NN=N[N-]1	REAL250004607518	1	36	-1.0	-45.19	311.45	4.31	-40.88
CCCC(NC(=O)C1=CN2C=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL250004607519	0	38	-1.0	-45.80	322.53	4.78	-41.02
CCCC(NC(=O)C1=CN2C=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL250004607519	1	38	-1.0	-45.82	322.59	4.80	-41.02
CCCC(NC(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004607520	0	33	-1.0	-42.10	297.00	-0.45	-42.55
CCCC(NC(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004607520	1	33	-1.0	-42.07	297.06	-0.43	-42.50
CCCC(NC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004607521	0	40	-1.0	-46.50	327.13	0.69	-45.81
CCCC(NC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004607521	1	40	-1.0	-46.50	327.18	0.71	-45.79
CCCC(NC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004607522	0	40	-1.0	-43.49	329.53	0.44	-43.05
CCCC(NC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004607522	1	40	-1.0	-43.53	329.58	0.47	-43.06
CCCC(NC(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004607523	0	38	-1.0	-42.21	320.97	0.41	-41.80
CCCC(NC(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004607523	1	38	-1.0	-42.23	321.03	0.42	-41.81
CCCC(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004607524	0	34	-1.0	-45.36	295.29	-0.81	-46.17
CCCC(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004607524	1	34	-1.0	-45.36	295.34	-0.80	-46.16
CCCC(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004607525	0	37	-1.0	-45.49	311.61	-0.17	-45.66
CCCC(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004607525	1	37	-1.0	-45.52	311.67	-0.15	-45.67
CCCC(NC(=O)C1CCCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004607526	0	47	-1.0	-44.63	340.64	5.16	-39.47
CCCC(NC(=O)C1CCCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004607526	1	47	-1.0	-44.64	340.70	5.17	-39.47
CCCC(NC(=O)[C@H]1CC[C@@H](C(C)C)CC1)C1=N[N-]N=N1	REAL250004607527	0	47	-1.0	-48.89	349.45	5.45	-43.44
CCCC(NC(=O)[C@H]1CC[C@@H](C(C)C)CC1)C1=NN=N[N-]1	REAL250004607527	1	47	-1.0	-48.88	349.51	5.46	-43.42
CCCC(NC(=O)C1=CC(OC)=CN=N1)C1=NN=N[N-]1	REAL250004607528	0	34	-1.0	-46.15	296.40	0.07	-46.08
CCCC(NC(=O)C1=CC(OC)=CN=N1)C1=N[N-]N=N1	REAL250004607528	1	34	-1.0	-46.12	296.34	0.05	-46.07
CCCC(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=N[N-]N=N1	REAL250004607529	0	35	-1.0	-45.31	302.90	3.63	-41.68
CCCC(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=NN=N[N-]1	REAL250004607529	1	35	-1.0	-45.29	302.96	3.64	-41.65
CCCC(NC(=O)C1CNC(=O)CC1C)C1=N[N-]N=N1	REAL250004607530	0	39	-1.0	-45.98	315.92	0.40	-45.58
CCCC(NC(=O)C1CNC(=O)CC1C)C1=NN=N[N-]1	REAL250004607530	1	39	-1.0	-46.01	315.97	0.42	-45.59
CCCC(NC(=O)C1(F)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004607531	0	41	-1.0	-41.95	324.22	4.58	-37.37
CCCC(NC(=O)C1(F)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004607531	1	41	-1.0	-41.94	324.28	4.58	-37.36
CCCC(NC(=O)C1CC(C#N)(OC)C1)C1=N[N-]N=N1	REAL250004607532	0	37	-1.0	-47.27	316.56	1.68	-45.59
CCCC(NC(=O)C1CC(C#N)(OC)C1)C1=NN=N[N-]1	REAL250004607532	1	37	-1.0	-47.28	316.61	1.70	-45.58
CCCC(NC(=O)[C@H]1CCO[C@H]1C)C1=N[N-]N=N1	REAL250004607533	0	36	-1.0	-47.87	289.02	1.35	-46.52
CCCC(NC(=O)[C@H]1CCO[C@H]1C)C1=NN=N[N-]1	REAL250004607533	1	36	-1.0	-47.94	289.10	1.35	-46.59
CCCC(NC(=O)CC1COC(C)(C)C1)C1=N[N-]N=N1	REAL250004607534	0	42	-1.0	-48.12	334.68	2.87	-45.25
CCCC(NC(=O)CC1COC(C)(C)C1)C1=NN=N[N-]1	REAL250004607534	1	42	-1.0	-48.15	334.74	2.89	-45.26
CCCC(NC(=O)CC1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004607535	0	38	-1.0	-52.97	315.62	1.24	-51.73
CCCC(NC(=O)CC1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004607535	1	38	-1.0	-52.98	315.68	1.26	-51.72
CCCC(NC(=O)C1CCCCC(=O)C1)C1=N[N-]N=N1	REAL250004607536	0	40	-1.0	-46.47	317.59	3.53	-42.94
CCCC(NC(=O)C1CCCCC(=O)C1)C1=NN=N[N-]1	REAL250004607536	1	40	-1.0	-46.48	317.65	3.54	-42.94
CCCC(NC(=O)C1=C2C=CC=C(C)C2=NN1)C1=NN=N[N-]1	REAL250004607537	0	38	-1.0	-46.99	322.85	2.97	-44.02
CCCC(NC(=O)C1=C2C=CC=C(C)C2=NN1)C1=N[N-]N=N1	REAL250004607537	1	38	-1.0	-46.95	322.79	2.96	-43.99
CCCC(NC(=O)C1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004607538	0	40	-1.0	-49.90	323.31	3.87	-46.03
CCCC(NC(=O)C1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004607538	1	40	-1.0	-49.95	323.37	3.88	-46.07
CCCC(NC(=O)C1=CC=CC2=C1COC2)C1=N[N-]N=N1	REAL250004607539	0	37	-1.0	-49.19	307.76	2.91	-46.28
CCCC(NC(=O)C1=CC=CC2=C1COC2)C1=NN=N[N-]1	REAL250004607539	1	37	-1.0	-49.19	307.82	2.93	-46.26
CCCC(NC(=O)C1CCCC(C)CC1)C1=N[N-]N=N1	REAL250004607540	0	44	-1.0	-44.88	331.53	4.96	-39.92
CCCC(NC(=O)C1CCCC(C)CC1)C1=NN=N[N-]1	REAL250004607540	1	44	-1.0	-44.86	331.59	4.98	-39.88
CCCC(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004607541	0	32	-1.0	-47.95	276.43	3.06	-44.89
CCCC(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004607541	1	32	-1.0	-47.92	276.48	3.08	-44.84
CCCC(NC(=O)C1=NC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004607542	0	34	-1.0	-51.43	298.14	4.82	-46.61
CCCC(NC(=O)C1=NC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004607542	1	34	-1.0	-51.44	298.08	4.81	-46.63
CCCC(NC(=O)C1CCC(C(=O)OC)C1)C1=N[N-]N=N1	REAL250004607543	0	41	-1.0	-51.57	337.15	3.83	-47.74
CCCC(NC(=O)C1CCC(C(=O)OC)C1)C1=NN=N[N-]1	REAL250004607543	1	41	-1.0	-51.61	337.21	3.85	-47.76
CCCC(NC(=O)C1=NNC(C)=C1Cl)C1=N[N-]N=N1	REAL250004607544	0	32	-1.0	-48.56	293.71	1.13	-47.43
CCCC(NC(=O)C1=NNC(C)=C1Cl)C1=NN=N[N-]1	REAL250004607544	1	32	-1.0	-48.57	293.77	1.14	-47.43
CCCC(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=N[N-]N=N1	REAL250004607545	0	35	-1.0	-46.34	308.02	-0.09	-46.43
CCCC(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=NN=N[N-]1	REAL250004607545	1	35	-1.0	-46.33	308.08	-0.07	-46.40
CCCC(NC(=O)C1=CC(C2CCC2)=NO1)C1=N[N-]N=N1	REAL250004607546	0	38	-1.0	-41.28	320.57	3.59	-37.69
CCCC(NC(=O)C1=CC(C2CCC2)=NO1)C1=NN=N[N-]1	REAL250004607546	1	38	-1.0	-41.29	320.63	3.60	-37.69
CCCC(NC(=O)C1CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004607547	0	39	-1.0	-51.02	325.78	3.38	-47.64
CCCC(NC(=O)C1CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004607547	1	39	-1.0	-51.01	325.84	3.39	-47.62
CCCC(NC(=O)CCC(C)(C)C#N)C1=N[N-]N=N1	REAL250004607548	0	38	-1.0	-50.18	314.94	3.38	-46.80
CCCC(NC(=O)CCC(C)(C)C#N)C1=NN=N[N-]1	REAL250004607548	1	38	-1.0	-50.15	315.00	3.40	-46.75
CCCC(NC(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004607549	0	34	-1.0	-45.24	301.87	1.34	-43.90
CCCC(NC(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004607549	1	34	-1.0	-45.26	301.92	1.35	-43.91
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=N[N-]N=N1	REAL250004607550	0	34	-1.0	-46.83	310.54	-0.89	-47.72
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=NN=N[N-]1	REAL250004607550	1	34	-1.0	-46.80	310.60	-0.88	-47.68
CCCC(NC(=O)CCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004607551	0	33	-1.0	-46.56	290.54	-1.27	-47.83
CCCC(NC(=O)CCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004607551	1	33	-1.0	-46.57	290.60	-1.25	-47.82
CCCC(NC(=O)CCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004607552	0	42	-1.0	-45.86	355.05	1.07	-44.79
CCCC(NC(=O)CCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004607552	1	42	-1.0	-45.85	355.11	1.09	-44.76
CCCC(NC(=O)C(COCC)N=[N+]=[N-])C1=N[N-]N=N1	REAL250004607553	0	37	-1.0	-42.11	323.01	-1.86	-43.97
CCCC(NC(=O)C(COCC)N=[N+]=[N-])C1=NN=N[N-]1	REAL250004607553	1	37	-1.0	-42.12	323.07	-1.84	-43.96
CCCC(NC(=O)C(F)(F)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004607554	0	35	-1.0	-42.56	313.05	2.22	-40.34
CCCC(NC(=O)C(F)(F)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004607554	1	35	-1.0	-42.56	312.99	2.21	-40.35
CCCC(NC(=O)C1CC(C2CCC2)C1)C1=N[N-]N=N1	REAL250004607555	0	42	-1.0	-45.70	333.92	5.25	-40.45
CCCC(NC(=O)C1CC(C2CCC2)C1)C1=NN=N[N-]1	REAL250004607555	1	42	-1.0	-45.71	333.98	5.27	-40.44
C#CC1=CC=CC(OCC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL250004607556	0	38	-1.0	-51.80	335.10	5.38	-46.42
C#CC1=CC=CC(OCC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL250004607556	1	38	-1.0	-51.79	335.15	5.39	-46.40
CCCC(NC(=O)C1CCCC2(CCC2)C1)C1=N[N-]N=N1	REAL250004607557	0	45	-1.0	-46.00	343.93	5.51	-40.49
CCCC(NC(=O)C1CCCC2(CCC2)C1)C1=NN=N[N-]1	REAL250004607557	1	45	-1.0	-45.98	343.99	5.53	-40.45
CCCC(NC(=O)C(C)NC(=O)NC)C1=N[N-]N=N1	REAL250004607558	0	37	-1.0	-43.95	312.01	-1.49	-45.44
CCCC(NC(=O)C(C)NC(=O)NC)C1=NN=N[N-]1	REAL250004607558	1	37	-1.0	-43.95	312.06	-1.47	-45.42
CCCC(NC(=O)[C@H](C)NC(=O)NC)C1=N[N-]N=N1	REAL250004607559	0	37	-1.0	-46.77	312.00	-1.49	-48.26
CCCC(NC(=O)[C@H](C)NC(=O)NC)C1=NN=N[N-]1	REAL250004607559	1	37	-1.0	-46.76	312.06	-1.47	-48.23
CCCC(NC(=O)[C@@H](C)NC(=O)NC)C1=N[N-]N=N1	REAL250004607560	0	37	-1.0	-43.98	312.00	-1.49	-45.47
CCCC(NC(=O)[C@@H](C)NC(=O)NC)C1=NN=N[N-]1	REAL250004607560	1	37	-1.0	-43.96	312.05	-1.47	-45.43
CCCC(NC(=O)C1CCSC(C)C1)C1=N[N-]N=N1	REAL250004607561	0	39	-1.0	-45.11	320.41	4.30	-40.81
CCCC(NC(=O)C1CCSC(C)C1)C1=NN=N[N-]1	REAL250004607561	1	39	-1.0	-45.11	320.47	4.32	-40.79
CCCC(NC(=O)CCC(C)(C)F)C1=N[N-]N=N1	REAL250004607562	0	37	-1.0	-45.76	304.45	3.40	-42.36
CCCC(NC(=O)CCC(C)(C)F)C1=NN=N[N-]1	REAL250004607562	1	37	-1.0	-45.80	304.50	3.42	-42.38
CCCC(NC(=O)CCC1CC(OC)C1)C1=N[N-]N=N1	REAL250004607563	0	42	-1.0	-48.37	342.10	3.11	-45.26
CCCC(NC(=O)CCC1CC(OC)C1)C1=NN=N[N-]1	REAL250004607563	1	42	-1.0	-48.35	342.16	3.13	-45.22
CCCCC[C@@H](O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004607564	0	44	-1.0	-48.36	355.58	2.78	-45.58
CCCCC[C@@H](O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004607564	1	44	-1.0	-48.34	355.63	2.80	-45.54
CCCC(NC(=O)C1=C(C)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004607565	0	38	-1.0	-47.41	326.12	4.46	-42.95
CCCC(NC(=O)C1=C(C)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004607565	1	38	-1.0	-47.40	326.06	4.45	-42.95
CCCC(NC(=O)C1=NOC(CC)=C1C)C1=N[N-]N=N1	REAL250004607566	0	37	-1.0	-45.54	313.61	3.10	-42.44
CCCC(NC(=O)C1=NOC(CC)=C1C)C1=NN=N[N-]1	REAL250004607566	1	37	-1.0	-45.53	313.67	3.12	-42.41
CCCC(NC(=O)C1CCCCNC1=O)C1=N[N-]N=N1	REAL250004607567	0	39	-1.0	-44.58	294.99	0.68	-43.90
CCCC(NC(=O)C1CCCCNC1=O)C1=NN=N[N-]1	REAL250004607567	1	39	-1.0	-44.62	295.05	0.69	-43.93
CCCC(NC(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004607568	0	38	-1.0	-65.84	325.29	2.48	-63.36
CCCC(NC(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004607568	1	38	-1.0	-65.86	325.35	2.49	-63.37
CCCC(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004607569	0	31	-1.0	-56.01	273.94	3.18	-52.83
CCCC(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004607569	1	31	-1.0	-55.97	273.88	3.17	-52.80
CCCC(NC(=O)CC(C)(O)COC)C1=N[N-]N=N1	REAL250004607570	0	39	-1.0	-50.44	318.20	-0.23	-50.67
CCCC(NC(=O)CC(C)(O)COC)C1=NN=N[N-]1	REAL250004607570	1	39	-1.0	-50.45	318.26	-0.22	-50.67
CCCC(NC(=O)C1=C(CC)SC=C1)C1=N[N-]N=N1	REAL250004607571	0	35	-1.0	-45.76	303.97	4.09	-41.67
CCCC(NC(=O)C1=C(CC)SC=C1)C1=NN=N[N-]1	REAL250004607571	1	35	-1.0	-45.77	304.03	4.11	-41.66
CCCCN1C=C(C(=O)NC(CCC)C2=NN=N[N-]2)N=N1	REAL250004607573	0	40	-1.0	-46.32	339.99	2.35	-43.97
CCCCN1C=C(C(=O)NC(CCC)C2=N[N-]N=N2)N=N1	REAL250004607573	1	40	-1.0	-46.31	339.94	2.34	-43.97
CCCC(NC(=O)[C@H]1[C@@H](C(=O)OC)C1(C)C)C1=N[N-]N=N1	REAL250004607574	0	41	-1.0	-49.73	333.88	3.87	-45.86
CCCC(NC(=O)[C@H]1[C@@H](C(=O)OC)C1(C)C)C1=NN=N[N-]1	REAL250004607574	1	41	-1.0	-49.72	333.95	3.88	-45.84
CCCC(NC(=O)C1CC(CC)=NO1)C1=N[N-]N=N1	REAL250004607575	0	36	-1.0	-54.54	304.98	2.81	-51.73
CCCC(NC(=O)C1CC(CC)=NO1)C1=NN=N[N-]1	REAL250004607575	1	36	-1.0	-54.53	305.03	2.83	-51.70
CCCC(NC(=O)C1CC2(C1)CC(C)=NO2)C1=N[N-]N=N1	REAL250004607576	0	40	-1.0	-48.15	331.51	2.80	-45.35
CCCC(NC(=O)C1CC2(C1)CC(C)=NO2)C1=NN=N[N-]1	REAL250004607576	1	40	-1.0	-48.18	331.57	2.82	-45.36
CCCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=NN1C	REAL250004607577	0	41	-1.0	-50.07	342.79	3.41	-46.66
CCCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=NN1C	REAL250004607577	1	41	-1.0	-50.04	342.84	3.43	-46.61
CCCC1=NN(C)C(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL250004607578	0	41	-1.0	-44.16	339.72	3.47	-40.69
CCCC1=NN(C)C(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL250004607578	1	41	-1.0	-44.19	339.77	3.49	-40.70
CCCC(NC(=O)C1=NOC(CC(C)C)=C1)C1=N[N-]N=N1	REAL250004607580	0	40	-1.0	-44.41	335.30	3.76	-40.65
CCCC(NC(=O)C1=NOC(CC(C)C)=C1)C1=NN=N[N-]1	REAL250004607580	1	40	-1.0	-44.42	335.36	3.78	-40.64
CCCC(NC(=O)C1=NOC(C2CC2)=C1C)C1=N[N-]N=N1	REAL250004607581	0	38	-1.0	-45.19	324.19	3.92	-41.27
CCCC(NC(=O)C1=NOC(C2CC2)=C1C)C1=NN=N[N-]1	REAL250004607581	1	38	-1.0	-45.19	324.25	3.93	-41.26
CCCC(NC(=O)C(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004607582	0	39	-1.0	-46.96	313.68	2.18	-44.78
CCCC(NC(=O)C(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004607582	1	39	-1.0	-46.96	313.74	2.21	-44.75
CCCC(NC(=O)C1=CC(CC)=CC=N1)C1=N[N-]N=N1	REAL250004607583	0	37	-1.0	-47.72	314.49	3.32	-44.40
CCCC(NC(=O)C1=CC(CC)=CC=N1)C1=NN=N[N-]1	REAL250004607583	1	37	-1.0	-47.73	314.55	3.34	-44.39
CCCC(NC(=O)C1=C(C)C=NS1)C1=NN=N[N-]1	REAL250004607584	0	31	-1.0	-43.15	279.39	1.94	-41.21
CCCC(NC(=O)C1=C(C)C=NS1)C1=N[N-]N=N1	REAL250004607584	1	31	-1.0	-43.14	279.34	1.92	-41.22
CCCC(NC(=O)C1CC(=O)NC1(C)C)C1=N[N-]N=N1	REAL250004607585	0	39	-1.0	-45.78	317.28	0.14	-45.64
CCCC(NC(=O)C1CC(=O)NC1(C)C)C1=NN=N[N-]1	REAL250004607585	1	39	-1.0	-45.80	317.34	0.16	-45.64
CCCC(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=N[N-]N=N1	REAL250004607586	0	37	-1.0	-51.38	307.06	0.37	-51.01
CCCC(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=NN=N[N-]1	REAL250004607586	1	37	-1.0	-51.38	307.12	0.38	-51.00
CCCC(NC(=O)CC1CC(C)OC1C)C1=N[N-]N=N1	REAL250004607587	0	42	-1.0	-43.95	329.79	2.72	-41.23
CCCC(NC(=O)CC1CC(C)OC1C)C1=NN=N[N-]1	REAL250004607587	1	42	-1.0	-43.90	329.85	2.73	-41.17
CCCC(NC(=O)C1=COC(Cl)=C1)C1=N[N-]N=N1	REAL250004607588	0	29	-1.0	-45.77	274.74	2.21	-43.56
CCCC(NC(=O)C1=COC(Cl)=C1)C1=NN=N[N-]1	REAL250004607588	1	29	-1.0	-45.74	274.80	2.22	-43.52
CCCC(NC(=O)C1=C(C)C=C(F)S1)C1=N[N-]N=N1	REAL250004607589	0	32	-1.0	-41.96	289.75	3.44	-38.52
CCCC(NC(=O)C1=C(C)C=C(F)S1)C1=NN=N[N-]1	REAL250004607589	1	32	-1.0	-41.91	289.81	3.45	-38.46
CCCC(NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=N[N-]N=N1	REAL250004607590	0	38	-1.0	-46.52	311.73	4.00	-42.52
CCCC(NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=NN=N[N-]1	REAL250004607590	1	38	-1.0	-46.49	311.79	4.01	-42.48
CCCC(NC(=O)C1=CN=C(OC)N=C1C)C1=N[N-]N=N1	REAL250004607591	0	37	-1.0	-43.14	312.83	-1.01	-44.15
CCCC(NC(=O)C1=CN=C(OC)N=C1C)C1=NN=N[N-]1	REAL250004607591	1	37	-1.0	-43.16	312.89	-0.99	-44.15
CCCC(NC(=O)CC1(CC(=O)OC)CC1)C1=N[N-]N=N1	REAL250004607592	0	41	-1.0	-44.33	342.57	3.98	-40.35
CCCC(NC(=O)CC1(CC(=O)OC)CC1)C1=NN=N[N-]1	REAL250004607592	1	41	-1.0	-44.34	342.63	4.00	-40.34
CCCC(NC(=O)C(C)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004607593	0	40	-1.0	-45.26	330.65	3.82	-41.44
CCCC(NC(=O)C(C)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004607593	1	40	-1.0	-45.29	330.71	3.84	-41.45
CCCC(NC(=O)C1C2C3CC1CC32)C1=N[N-]N=N1	REAL250004607594	0	37	-1.0	-46.77	296.47	4.24	-42.53
CCCC(NC(=O)C1C2C3CC1CC32)C1=NN=N[N-]1	REAL250004607594	1	37	-1.0	-46.78	296.53	4.26	-42.52
CCCC(NC(=O)C1CC(N2C=CN=C2)C1)C1=N[N-]N=N1	REAL250004607595	0	39	-1.0	-45.42	321.10	4.47	-40.95
CCCC(NC(=O)C1CC(N2C=CN=C2)C1)C1=NN=N[N-]1	REAL250004607595	1	39	-1.0	-45.41	321.15	4.48	-40.93
CCCC(NC(=O)COCCCC(C)C)C1=N[N-]N=N1	REAL250004607596	0	44	-1.0	-47.89	355.55	4.51	-43.38
CCCC(NC(=O)COCCCC(C)C)C1=NN=N[N-]1	REAL250004607596	1	44	-1.0	-47.89	355.60	4.52	-43.37
CCCC(NC(=O)C(O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004607597	0	39	-1.0	-45.69	327.91	3.03	-42.66
CCCC(NC(=O)C(O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004607597	1	39	-1.0	-45.69	327.97	3.05	-42.64
CCCC(NC(=O)C1=CN(C)C(C)=C1)C1=N[N-]N=N1	REAL250004607598	0	36	-1.0	-53.07	303.27	3.68	-49.39
CCCC(NC(=O)C1=CN(C)C(C)=C1)C1=NN=N[N-]1	REAL250004607598	1	36	-1.0	-53.08	303.33	3.69	-49.39
CCCC(NC(=O)C1=CC=C(CC)C=C1F)C1=N[N-]N=N1	REAL250004607599	0	38	-1.0	-50.68	321.73	5.13	-45.55
CCCC(NC(=O)C1=CC=C(CC)C=C1F)C1=NN=N[N-]1	REAL250004607599	1	38	-1.0	-50.69	321.79	5.15	-45.54
CCCC(NC(=O)CC1=CN=NS1)C1=N[N-]N=N1	REAL250004607600	0	30	-1.0	-47.99	277.68	0.95	-47.04
CCCC(NC(=O)CC1=CN=NS1)C1=NN=N[N-]1	REAL250004607600	1	30	-1.0	-48.04	277.73	0.96	-47.08
CCCC(NC(=O)C1=C(OCC)SC=C1)C1=N[N-]N=N1	REAL250004607601	0	36	-1.0	-52.08	317.32	3.94	-48.14
CCCC(NC(=O)C1=C(OCC)SC=C1)C1=NN=N[N-]1	REAL250004607601	1	36	-1.0	-52.07	317.38	3.96	-48.11
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004607603	0	39	-1.0	-45.81	326.83	5.64	-40.17
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004607603	1	39	-1.0	-45.78	326.89	5.66	-40.12
CCCC(NC(=O)C(=CC1=CC=CC=C1)CC)C1=N[N-]N=N1	REAL250004607604	0	42	-1.0	-46.93	339.06	5.99	-40.94
CCCC(NC(=O)C(=CC1=CC=CC=C1)CC)C1=NN=N[N-]1	REAL250004607604	1	42	-1.0	-46.97	339.11	6.02	-40.95
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004607605	0	35	-1.0	-48.91	307.41	4.46	-44.45
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004607605	1	35	-1.0	-48.93	307.47	4.47	-44.46
CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004607606	0	35	-1.0	-54.97	284.11	5.84	-49.13
CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004607606	1	35	-1.0	-55.54	283.54	5.90	-49.64
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004607607	0	32	-1.0	-36.00	270.28	3.72	-32.28
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004607607	1	32	-1.0	-36.02	270.35	3.72	-32.30
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1O	REAL250004607608	0	42	-1.0	-48.84	319.12	1.17	-47.67
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1O	REAL250004607608	1	42	-1.0	-48.88	319.17	1.19	-47.69
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004607609	0	35	-1.0	-49.05	307.44	4.47	-44.58
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004607609	1	35	-1.0	-49.03	307.50	4.48	-44.55
CC(N(C)C(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004607610	0	38	-1.0	-47.63	295.17	5.31	-42.32
CC(N(C)C(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004607610	1	38	-1.0	-47.59	295.23	5.33	-42.26
CC(N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C)CC1	REAL250004607611	0	38	-1.0	-36.12	305.34	5.25	-30.87
CC(N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C)CC1	REAL250004607611	1	38	-1.0	-36.13	305.41	5.26	-30.87
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C2CCC1CCC2	REAL250004607612	0	39	-1.0	-56.16	299.05	7.13	-49.03
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C2CCC1CCC2	REAL250004607612	1	39	-1.0	-55.93	299.15	7.14	-48.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CCC2	REAL250004607613	0	36	-1.0	-37.25	285.80	4.89	-32.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CCC2	REAL250004607613	1	36	-1.0	-37.22	285.87	4.90	-32.32
NC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607614	0	39	-1.0	-52.66	311.25	0.97	-51.69
NC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607614	1	39	-1.0	-52.69	311.31	0.98	-51.71
NC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607615	0	39	-1.0	-52.66	311.25	0.97	-51.69
NC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607615	1	39	-1.0	-52.69	311.31	0.98	-51.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC(=O)C2=C1	REAL250004607616	0	38	-1.0	-59.86	317.94	4.96	-54.90
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC(=O)C2=C1	REAL250004607616	1	38	-1.0	-59.80	317.99	4.97	-54.83
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004607617	0	38	-1.0	-46.13	302.57	3.76	-42.37
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004607617	1	38	-1.0	-46.13	302.63	3.78	-42.35
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004607618	0	38	-1.0	-34.76	311.78	3.46	-31.30
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004607618	1	38	-1.0	-34.73	311.84	3.47	-31.26
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004607619	0	35	-1.0	-53.61	290.54	5.36	-48.25
CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004607619	1	35	-1.0	-53.41	290.60	5.38	-48.03
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004607620	0	32	-1.0	-35.03	277.58	2.33	-32.70
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004607620	1	32	-1.0	-35.02	277.64	2.33	-32.69
CNC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607621	0	42	-1.0	-50.65	333.21	2.49	-48.16
CNC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607621	1	42	-1.0	-50.62	333.26	2.50	-48.12
CN1C=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004607622	0	36	-1.0	-54.53	310.76	6.06	-48.47
CN1C=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004607622	1	36	-1.0	-54.34	310.86	6.06	-48.28
CN1C=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004607623	0	33	-1.0	-37.67	297.03	2.93	-34.74
CN1C=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004607623	1	33	-1.0	-37.62	297.10	2.93	-34.69
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(Cl)C=C21	REAL250004607624	0	33	-1.0	-45.80	290.25	5.83	-39.97
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(Cl)C=C21	REAL250004607624	1	33	-1.0	-45.85	290.31	5.85	-40.00
CN(CC1=CC2=CC=CC=C2O1)C(=O)CCCC1=N[N-]N=N1	REAL250004607625	0	38	-1.0	-55.47	324.79	6.11	-49.36
CN(CC1=CC2=CC=CC=C2O1)C(=O)CCCC1=NN=N[N-]1	REAL250004607625	1	38	-1.0	-55.49	324.85	6.12	-49.37
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCOCC1	REAL250004607626	0	36	-1.0	-52.12	288.31	5.30	-46.82
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCOCC1	REAL250004607626	1	36	-1.0	-53.24	288.43	5.26	-47.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCOCC1	REAL250004607627	0	33	-1.0	-35.62	269.79	3.41	-32.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCOCC1	REAL250004607627	1	33	-1.0	-35.60	269.86	3.43	-32.17
COC1=CC(C)=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607628	0	36	-1.0	-48.24	316.00	1.88	-46.36
COC1=CC(C)=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607628	1	36	-1.0	-48.24	316.05	1.89	-46.35
COC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607629	0	42	-1.0	-48.23	331.55	3.02	-45.21
COC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607629	1	42	-1.0	-48.23	331.61	3.03	-45.20
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(C)=N1	REAL250004607630	0	36	-1.0	-47.53	304.68	0.27	-47.26
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(C)=N1	REAL250004607630	1	36	-1.0	-47.52	304.73	0.28	-47.24
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=C(F)C=C2)CC1	REAL250004607631	0	36	-1.0	-48.17	310.09	5.09	-43.08
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=C(F)C=C2)CC1	REAL250004607631	1	36	-1.0	-48.18	310.14	5.11	-43.07
CC(C)(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004607632	0	42	-1.0	-52.15	336.26	2.66	-49.49
CC(C)(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004607632	1	42	-1.0	-52.19	336.31	2.67	-49.52
CC1=CN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004607633	0	34	-1.0	-45.52	305.85	2.26	-43.26
CC1=CN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004607633	1	34	-1.0	-45.58	305.91	2.27	-43.31
CC1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607634	0	39	-1.0	-48.58	314.29	6.48	-42.10
CC1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607634	1	39	-1.0	-48.56	314.35	6.49	-42.07
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCSC1	REAL250004607635	0	34	-1.0	-48.30	292.26	-0.08	-48.38
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCSC1	REAL250004607635	1	34	-1.0	-48.38	292.32	-0.07	-48.45
CN(CC1=NC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004607636	0	31	-1.0	-46.20	281.97	2.74	-43.46
CN(CC1=NC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004607636	1	31	-1.0	-46.22	282.03	2.75	-43.47
CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004607637	0	38	-1.0	-54.30	307.54	6.37	-47.93
CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004607637	1	38	-1.0	-54.07	307.62	6.40	-47.67
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004607638	0	35	-1.0	-35.83	293.47	3.21	-32.62
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004607638	1	35	-1.0	-35.80	293.54	3.21	-32.59
CCOCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607639	0	39	-1.0	-47.01	319.41	3.52	-43.49
CCOCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607639	1	39	-1.0	-47.04	319.47	3.53	-43.51
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004607640	0	38	-1.0	-46.52	302.26	4.17	-42.35
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004607640	1	38	-1.0	-46.51	302.32	4.19	-42.32
CC1(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL250004607641	0	38	-1.0	-35.04	312.84	3.97	-31.07
CC1(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL250004607641	1	38	-1.0	-35.04	312.91	3.99	-31.05
CC1=CN=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004607642	0	37	-1.0	-45.24	317.35	2.59	-42.65
CC1=CN=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004607642	1	37	-1.0	-45.21	317.30	2.58	-42.63
O=C(CCCC1=N[N-]N=N1)NCC(=O)OC1CCCCC1	REAL250004607643	0	41	-1.0	-44.95	336.24	4.14	-40.81
O=C(CCCC1=NN=N[N-]1)NCC(=O)OC1CCCCC1	REAL250004607643	1	41	-1.0	-45.00	336.30	4.16	-40.84
CNC(=O)C(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004607644	0	38	-1.0	-53.50	310.15	1.44	-52.06
CNC(=O)C(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004607644	1	38	-1.0	-53.48	310.21	1.45	-52.03
CCN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004607645	0	37	-1.0	-46.32	312.01	4.69	-41.63
CCN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004607645	1	37	-1.0	-46.35	312.07	4.71	-41.64
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[C@H](O)C1	REAL250004607646	0	33	-1.0	-56.65	274.43	1.93	-54.72
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[C@H](O)C1	REAL250004607646	1	33	-1.0	-56.46	274.53	1.95	-54.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@H](O)C1	REAL250004607647	0	30	-1.0	-37.40	260.88	-0.29	-37.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@H](O)C1	REAL250004607647	1	30	-1.0	-37.37	260.95	-0.28	-37.65
CC(O)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607648	0	35	-1.0	-39.55	288.07	3.71	-35.84
CC(O)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607648	1	35	-1.0	-39.43	288.18	3.73	-35.70
CC(O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607649	0	32	-1.0	-38.01	275.44	0.53	-37.48
CC(O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607649	1	32	-1.0	-38.00	275.51	0.54	-37.46
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[C@@H](O)C1	REAL250004607650	0	33	-1.0	-40.68	274.34	1.96	-38.72
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[C@@H](O)C1	REAL250004607650	1	33	-1.0	-40.55	274.42	1.97	-38.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](O)C1	REAL250004607651	0	30	-1.0	-37.28	260.85	-0.27	-37.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](O)C1	REAL250004607651	1	30	-1.0	-37.23	260.92	-0.26	-37.49
CCCN(CC(C)(C)O)C(=O)CCCC1=N[N-]N=N1	REAL250004607652	0	41	-1.0	-50.18	319.85	2.48	-47.70
CCCN(CC(C)(C)O)C(=O)CCCC1=NN=N[N-]1	REAL250004607652	1	41	-1.0	-50.16	319.90	2.50	-47.66
CCN(CC(C)(C)O)C(=O)CCCC1=N[N-]N=N1	REAL250004607653	0	38	-1.0	-45.36	300.74	1.69	-43.67
CCN(CC(C)(C)O)C(=O)CCCC1=NN=N[N-]1	REAL250004607653	1	38	-1.0	-45.35	300.80	1.71	-43.64
CCN(CC(C)(C)O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607654	0	38	-1.0	-36.08	306.39	2.51	-33.57
CCN(CC(C)(C)O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607654	1	38	-1.0	-36.11	306.46	2.51	-33.60
CC(O)CCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607657	0	38	-1.0	-39.44	312.77	3.48	-35.96
CC(O)CCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607657	1	38	-1.0	-39.30	312.86	3.50	-35.80
CC(O)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607658	0	35	-1.0	-36.67	298.26	1.23	-35.44
CC(O)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607658	1	35	-1.0	-36.66	298.33	1.26	-35.40
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1=CC=CC=C1	REAL250004607659	0	39	-1.0	-49.72	326.63	6.48	-43.24
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1=CC=CC=C1	REAL250004607659	1	39	-1.0	-49.70	326.69	6.49	-43.21
CC(C)(C)C1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004607660	0	40	-1.0	-46.97	337.57	0.95	-46.02
CC(C)(C)C1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004607660	1	40	-1.0	-47.01	337.63	0.97	-46.04
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004607661	0	38	-1.0	-46.18	316.11	3.51	-42.67
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004607661	1	38	-1.0	-46.20	316.17	3.53	-42.67
CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1C	REAL250004607662	0	38	-1.0	-54.92	302.42	6.64	-48.28
CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1C	REAL250004607662	1	38	-1.0	-55.17	303.14	6.65	-48.52
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004607663	0	35	-1.0	-36.20	288.51	4.42	-31.78
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004607663	1	35	-1.0	-36.21	288.58	4.42	-31.79
CCSC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004607664	0	42	-1.0	-47.55	339.33	5.63	-41.92
CCSC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004607664	1	42	-1.0	-47.57	339.39	5.65	-41.92
COC(=O)[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607665	0	38	-1.0	-54.57	306.23	5.17	-49.40
COC(=O)[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607665	1	38	-1.0	-54.53	306.29	5.18	-49.35
CCN1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004607666	0	39	-1.0	-50.17	327.21	4.93	-45.24
CCN1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004607666	1	39	-1.0	-50.17	327.27	4.95	-45.22
CCSC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004607669	0	39	-1.0	-45.43	324.08	4.73	-40.70
CCSC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004607669	1	39	-1.0	-45.46	324.14	4.74	-40.72
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(C2CC2)C1	REAL250004607670	0	37	-1.0	-50.85	309.23	2.22	-48.63
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(C2CC2)C1	REAL250004607670	1	37	-1.0	-50.84	309.29	2.23	-48.61
CCCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004607671	0	43	-1.0	-50.17	358.83	4.78	-45.39
CCCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004607671	1	43	-1.0	-50.23	358.89	4.79	-45.44
CC(C(=O)OC(C)(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004607672	0	43	-1.0	-47.76	340.69	5.25	-42.51
CC(C(=O)OC(C)(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004607672	1	43	-1.0	-47.79	340.75	5.26	-42.53
COC1=NC=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004607673	0	35	-1.0	-46.92	300.93	0.85	-46.07
COC1=NC=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004607673	1	35	-1.0	-46.87	300.88	0.84	-46.03
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004607675	0	45	-1.0	-46.52	349.14	3.40	-43.12
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004607675	1	45	-1.0	-46.49	349.19	3.41	-43.08
CN(CC1=CC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004607676	0	36	-1.0	-45.26	294.73	4.97	-40.29
CN(CC1=CC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004607676	1	36	-1.0	-45.29	294.78	4.99	-40.30
CN(CC1=CC=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607677	0	36	-1.0	-36.14	302.73	5.36	-30.78
CN(CC1=CC=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607677	1	36	-1.0	-36.13	302.80	5.38	-30.75
O=C(CCCC1=N[N-]N=N1)NC1(CC2=CC=CC=C2)CCC1	REAL250004607678	0	42	-1.0	-47.65	340.75	6.30	-41.35
O=C(CCCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2)CCC1	REAL250004607678	1	42	-1.0	-47.64	340.81	6.31	-41.33
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=CC=CO2)C1	REAL250004607679	0	37	-1.0	-49.66	309.87	3.30	-46.36
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=CC=CO2)C1	REAL250004607679	1	37	-1.0	-49.67	309.93	3.32	-46.35
CC(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607680	0	44	-1.0	-46.53	334.61	6.14	-40.39
CC(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607680	1	44	-1.0	-46.57	334.67	6.16	-40.41
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004607681	0	41	-1.0	-47.67	331.60	4.07	-43.60
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004607681	1	41	-1.0	-47.70	331.66	4.09	-43.61
O=C(CCCC1=N[N-]N=N1)NC1CCCC2OCCC21	REAL250004607682	0	40	-1.0	-45.50	310.03	3.03	-42.47
O=C(CCCC1=NN=N[N-]1)NC1CCCC2OCCC21	REAL250004607682	1	40	-1.0	-45.51	310.09	3.04	-42.47
CC1=C(C)NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607683	0	35	-1.0	-49.01	300.18	1.31	-47.70
CC1=C(C)NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607683	1	35	-1.0	-49.06	300.24	1.32	-47.74
CC1=C(C)NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004607684	0	35	-1.0	-39.35	310.77	1.10	-38.25
CC1=C(C)NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004607684	1	35	-1.0	-39.33	310.84	1.10	-38.23
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOC2=O)CC1	REAL250004607685	0	39	-1.0	-54.84	308.62	4.31	-50.53
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOC2=O)CC1	REAL250004607685	1	39	-1.0	-54.85	308.68	4.33	-50.52
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004607686	0	42	-1.0	-46.72	336.02	2.82	-43.90
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004607686	1	42	-1.0	-46.74	336.08	2.83	-43.91
CC1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004607687	0	38	-1.0	-48.27	315.92	4.71	-43.56
CC1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004607687	1	38	-1.0	-48.31	315.98	4.72	-43.59
CC1(C)OCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004607688	0	37	-1.0	-46.92	309.46	0.84	-46.08
CC1(C)OCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004607688	1	37	-1.0	-46.92	309.52	0.85	-46.07
CC(CC(O)C1=CC=CO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004607689	0	39	-1.0	-50.14	330.16	1.55	-48.59
CC(CC(O)C1=CC=CO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004607689	1	39	-1.0	-50.18	330.22	1.57	-48.61
COC(=O)C1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607690	0	35	-1.0	-51.35	303.79	3.51	-47.84
COC(=O)C1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607690	1	35	-1.0	-51.37	303.85	3.53	-47.84
COC1=C(F)C=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004607691	0	33	-1.0	-45.17	298.40	3.01	-42.16
COC1=C(F)C=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004607691	1	33	-1.0	-45.22	298.45	3.03	-42.19
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)N=C1	REAL250004607692	0	34	-1.0	-51.12	312.35	2.90	-48.22
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)N=C1	REAL250004607692	1	34	-1.0	-51.11	312.30	2.89	-48.22
O=C(NC1(C2CC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607693	0	36	-1.0	-52.41	295.08	6.50	-45.91
O=C(NC1(C2CC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607693	1	36	-1.0	-52.17	295.17	6.51	-45.66
O=C(NC1(C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607694	0	33	-1.0	-35.16	281.31	3.36	-31.80
O=C(NC1(C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607694	1	33	-1.0	-35.17	281.38	3.37	-31.80
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004607695	0	36	-1.0	-47.81	298.00	1.24	-46.57
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004607695	1	36	-1.0	-47.82	298.06	1.25	-46.57
CN(CCOCC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004607696	0	39	-1.0	-51.33	322.18	4.71	-46.62
CN(CCOCC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004607696	1	39	-1.0	-51.35	322.24	4.73	-46.62
CC(C)C1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607697	0	37	-1.0	-46.92	325.09	2.48	-44.44
CC(C)C1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607697	1	37	-1.0	-46.93	325.15	2.50	-44.43
COCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004607698	0	36	-1.0	-52.80	309.56	3.71	-49.09
COCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004607698	1	36	-1.0	-52.36	308.72	3.76	-48.60
COCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004607699	0	33	-1.0	-37.19	293.92	0.66	-36.53
COCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004607699	1	33	-1.0	-37.12	293.98	0.68	-36.44
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004607700	0	34	-1.0	-47.93	287.53	3.02	-44.91
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004607700	1	34	-1.0	-47.92	287.58	3.03	-44.89
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=N1	REAL250004607701	0	34	-1.0	-36.10	298.10	2.81	-33.29
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=N1	REAL250004607701	1	34	-1.0	-36.09	298.16	2.82	-33.27
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004607702	0	38	-1.0	-48.31	323.29	5.02	-43.29
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004607702	1	38	-1.0	-48.28	323.35	5.04	-43.24
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCCCC21	REAL250004607703	0	42	-1.0	-48.52	316.93	5.39	-43.13
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCCCC21	REAL250004607703	1	42	-1.0	-48.53	316.99	5.40	-43.13
CCOCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004607704	0	45	-1.0	-46.72	357.95	3.76	-42.96
CCOCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004607704	1	45	-1.0	-46.72	358.01	3.77	-42.95
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1F	REAL250004607705	0	36	-1.0	-49.12	313.22	1.24	-47.88
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1F	REAL250004607705	1	36	-1.0	-49.15	313.28	1.25	-47.90
NC1=CN=NC(NNC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004607706	0	31	-1.0	-49.33	289.89	-0.36	-49.69
NC1=CN=NC(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004607706	1	31	-1.0	-49.30	289.94	-0.35	-49.65
O=C(CCCC1=N[N-]N=N1)N1CCC2(O)CCCCC2C1	REAL250004607707	0	43	-1.0	-48.40	325.55	2.84	-45.56
O=C(CCCC1=NN=N[N-]1)N1CCC2(O)CCCCC2C1	REAL250004607707	1	43	-1.0	-48.40	325.61	2.85	-45.55
O=C(CCCC1=N[N-]N=N1)NCC(O)CC1=CC=CC=C1	REAL250004607708	0	39	-1.0	-47.30	331.95	1.80	-45.50
O=C(CCCC1=NN=N[N-]1)NCC(O)CC1=CC=CC=C1	REAL250004607708	1	39	-1.0	-47.29	332.01	1.81	-45.48
CC(C)(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004607709	0	38	-1.0	-49.71	307.75	-0.28	-49.99
CC(C)(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004607709	1	38	-1.0	-49.71	307.80	-0.27	-49.98
CN(CC(O)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004607710	0	36	-1.0	-46.83	297.99	2.26	-44.57
CN(CC(O)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004607710	1	36	-1.0	-46.83	298.05	2.28	-44.55
CN(CC(O)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607711	0	36	-1.0	-37.62	303.42	2.34	-35.28
CN(CC(O)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607711	1	36	-1.0	-37.58	303.50	2.35	-35.23
CN1N=CN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004607712	0	34	-1.0	-54.24	295.86	2.43	-51.81
CN1N=CN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004607712	1	34	-1.0	-54.26	295.92	2.45	-51.81
CN1N=CN=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607713	0	34	-1.0	-41.02	306.46	2.22	-38.80
CN1N=CN=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607713	1	34	-1.0	-41.02	306.52	2.24	-38.78
CC1=C(C)SC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607714	0	37	-1.0	-50.78	326.06	2.67	-48.11
CC1=C(C)SC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607714	1	37	-1.0	-50.75	326.12	2.69	-48.06
CCCCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607715	0	46	-1.0	-46.02	355.28	5.50	-40.52
CCCCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607715	1	46	-1.0	-46.04	355.33	5.52	-40.52
CC1=CC(F)=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004607716	0	38	-1.0	-48.90	322.33	4.78	-44.12
CC1=CC(F)=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004607716	1	38	-1.0	-48.94	322.39	4.79	-44.15
CC1=CN(C)C(=O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607717	0	35	-1.0	-61.20	300.89	3.61	-57.59
CC1=CN(C)C(=O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607717	1	35	-1.0	-61.26	300.95	3.63	-57.63
CN1N=C(C2CCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004607718	0	39	-1.0	-50.23	320.57	4.57	-45.66
CN1N=C(C2CCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004607718	1	39	-1.0	-50.24	320.63	4.59	-45.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=N1	REAL250004607719	0	31	-1.0	-47.04	280.46	1.70	-45.34
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=N1	REAL250004607719	1	31	-1.0	-47.04	280.52	1.72	-45.32
O=C(NCC1=CC=C(F)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607720	0	31	-1.0	-37.06	291.06	1.50	-35.56
O=C(NCC1=CC=C(F)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607720	1	31	-1.0	-37.02	291.13	1.50	-35.52
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607721	0	41	-1.0	-47.57	312.18	4.99	-42.58
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607721	1	41	-1.0	-47.57	312.24	5.00	-42.57
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=NNC(=O)C=C1	REAL250004607722	0	32	-1.0	-48.90	293.76	-2.26	-51.16
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=NNC(=O)C=C1	REAL250004607722	1	32	-1.0	-48.86	293.82	-2.24	-51.10
O=C(CCCC1=N[N-]N=N1)N1CCC(C(F)F)CC1	REAL250004607723	0	35	-1.0	-50.68	288.49	4.43	-46.25
O=C(CCCC1=NN=N[N-]1)N1CCC(C(F)F)CC1	REAL250004607723	1	35	-1.0	-50.66	288.55	4.44	-46.22
O=C(CCCC1=N[N-]N=N1)NC1CCC(F)(F)C1	REAL250004607724	0	32	-1.0	-45.68	276.03	2.80	-42.88
O=C(CCCC1=NN=N[N-]1)NC1CCC(F)(F)C1	REAL250004607724	1	32	-1.0	-45.73	276.09	2.81	-42.92
O=C(NC1CCC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607725	0	32	-1.0	-36.36	286.74	2.57	-33.79
O=C(NC1CCC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607725	1	32	-1.0	-36.33	286.81	2.58	-33.75
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)OCC2C1	REAL250004607726	0	35	-1.0	-51.41	288.47	2.02	-49.39
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)OCC2C1	REAL250004607726	1	35	-1.0	-51.42	288.53	2.04	-49.38
COC1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607727	0	33	-1.0	-49.03	287.59	2.76	-46.27
COC1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607727	1	33	-1.0	-49.07	287.64	2.77	-46.30
O=C(NCC(O)C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607728	0	36	-1.0	-51.51	303.95	2.66	-48.85
O=C(NCC(O)C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607728	1	36	-1.0	-51.27	304.05	2.66	-48.61
O=C(NCC(O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607729	0	33	-1.0	-35.99	290.22	-0.48	-36.47
O=C(NCC(O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607729	1	33	-1.0	-35.95	290.29	-0.47	-36.42
O=C(CCCC1=N[N-]N=N1)NOCC(F)(F)F	REAL250004607730	0	26	-1.0	-52.35	252.12	2.01	-50.34
O=C(CCCC1=NN=N[N-]1)NOCC(F)(F)F	REAL250004607730	1	26	-1.0	-52.41	252.17	2.03	-50.38
O=C(NOCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607731	0	26	-1.0	-37.12	262.71	1.80	-35.32
O=C(NOCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607731	1	26	-1.0	-37.07	262.78	1.81	-35.26
CC1N(C(=O)CCCC2=N[N-]N=N2)CCOC1(C)C	REAL250004607733	0	39	-1.0	-46.75	299.97	3.34	-43.41
CC1N(C(=O)CCCC2=NN=N[N-]2)CCOC1(C)C	REAL250004607733	1	39	-1.0	-46.77	300.03	3.36	-43.41
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(O)C1	REAL250004607734	0	30	-1.0	-62.22	258.19	1.10	-61.12
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(O)C1	REAL250004607734	1	30	-1.0	-62.00	258.29	1.12	-60.88
CSCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607735	0	35	-1.0	-38.67	304.20	6.43	-32.24
CSCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607735	1	35	-1.0	-38.48	304.29	6.45	-32.03
CSCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607736	0	32	-1.0	-35.71	289.69	4.19	-31.52
CSCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607736	1	32	-1.0	-35.69	289.76	4.22	-31.47
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)(C)CC1	REAL250004607737	0	44	-1.0	-47.67	329.05	5.87	-41.80
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)(C)CC1	REAL250004607737	1	44	-1.0	-47.69	329.11	5.88	-41.81
CCC(O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607738	0	38	-1.0	-55.99	317.99	2.42	-53.57
CCC(O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607738	1	38	-1.0	-55.84	318.06	2.44	-53.40
CCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607739	0	35	-1.0	-36.81	303.84	-0.67	-37.48
CCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607739	1	35	-1.0	-36.77	303.91	-0.66	-37.43
N#CCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607740	0	32	-1.0	-59.18	291.60	4.22	-54.96
N#CCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607740	1	32	-1.0	-59.21	291.66	4.23	-54.98
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004607741	0	39	-1.0	-47.72	329.45	1.85	-45.87
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004607741	1	39	-1.0	-47.73	329.50	1.86	-45.87
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004607742	0	43	-1.0	-44.59	341.78	4.06	-40.53
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004607742	1	43	-1.0	-44.59	341.84	4.07	-40.52
CC(C)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607743	0	41	-1.0	-48.91	337.20	5.00	-43.91
CC(C)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607743	1	41	-1.0	-48.89	337.14	4.99	-43.90
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607744	0	38	-1.0	-51.74	311.42	4.24	-47.50
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607744	1	38	-1.0	-51.75	311.48	4.25	-47.50
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)N=C1	REAL250004607745	0	28	-1.0	-47.21	254.63	1.56	-45.65
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)N=C1	REAL250004607745	1	28	-1.0	-47.24	254.57	1.54	-45.70
O=C(NC1=CC=C(F)N=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607746	0	31	-1.0	-51.61	279.32	4.40	-47.21
O=C(NC1=CC=C(F)N=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607746	1	31	-1.0	-51.37	279.36	4.44	-46.93
O=C(NC1=CC=C(F)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607747	0	28	-1.0	-35.09	265.00	1.35	-33.74
O=C(NC1=CC=C(F)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607747	1	28	-1.0	-35.16	264.93	1.33	-33.83
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004607748	0	39	-1.0	-46.79	325.70	3.57	-43.22
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004607748	1	39	-1.0	-46.80	325.75	3.58	-43.22
CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004607749	0	38	-1.0	-36.77	299.66	6.71	-30.06
CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004607749	1	38	-1.0	-37.68	301.40	6.70	-30.98
CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004607750	0	35	-1.0	-36.06	291.47	4.36	-31.70
CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004607750	1	35	-1.0	-36.04	291.54	4.36	-31.68
CC1=CC=CC(C)=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004607751	0	41	-1.0	-48.42	333.66	5.27	-43.15
CC1=CC=CC(C)=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004607751	1	41	-1.0	-48.46	333.71	5.28	-43.18
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCCC2)C1	REAL250004607752	0	40	-1.0	-46.78	307.95	3.75	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCCC2)C1	REAL250004607752	1	40	-1.0	-46.78	308.00	3.76	-43.02
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CNN=C21	REAL250004607753	0	36	-1.0	-53.98	299.59	1.66	-52.32
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CNN=C21	REAL250004607753	1	36	-1.0	-54.03	299.65	1.68	-52.35
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004607754	0	40	-1.0	-45.15	328.12	3.45	-41.70
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004607754	1	40	-1.0	-45.16	328.18	3.47	-41.69
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1=O	REAL250004607755	0	39	-1.0	-51.79	306.53	2.87	-48.92
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1=O	REAL250004607755	1	39	-1.0	-51.86	306.59	2.89	-48.97
CCCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004607756	0	49	-1.0	-46.27	391.16	6.69	-39.58
CCCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004607756	1	49	-1.0	-46.33	391.22	6.70	-39.63
CC(C)C1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004607757	0	41	-1.0	-48.47	335.36	7.00	-41.47
CC(C)C1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004607757	1	41	-1.0	-48.48	335.42	7.02	-41.46
CC1=CC=C2OCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004607758	0	37	-1.0	-45.83	314.26	3.34	-42.49
CC1=CC=C2OCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004607758	1	37	-1.0	-45.81	314.32	3.36	-42.45
CC(C)(CO)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004607759	0	41	-1.0	-47.96	326.75	0.50	-47.46
CC(C)(CO)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004607759	1	41	-1.0	-47.95	326.81	0.51	-47.44
CC(CO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607760	0	35	-1.0	-52.64	294.99	1.56	-51.08
CC(CO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607760	1	35	-1.0	-52.48	295.05	1.58	-50.90
CC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607761	0	32	-1.0	-36.55	280.83	-1.54	-38.09
CC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607761	1	32	-1.0	-36.55	280.90	-1.53	-38.08
CC(CCO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607762	0	38	-1.0	-55.55	313.95	2.16	-53.39
CC(CCO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607762	1	38	-1.0	-55.39	314.01	2.17	-53.22
CC(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607763	0	35	-1.0	-36.97	299.79	-0.95	-37.92
CC(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607763	1	35	-1.0	-36.97	299.86	-0.93	-37.90
CC(C)(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607764	0	38	-1.0	-49.09	302.20	-0.17	-49.26
CC(C)(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607764	1	38	-1.0	-49.14	302.26	-0.15	-49.29
CC(C)(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607765	0	38	-1.0	-36.84	312.79	-0.37	-37.21
CC(C)(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607765	1	38	-1.0	-36.81	312.86	-0.36	-37.17
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCCCC1	REAL250004607766	0	42	-1.0	-47.77	318.41	1.73	-46.04
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCCCC1	REAL250004607766	1	42	-1.0	-47.82	318.46	1.75	-46.07
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CC=N1	REAL250004607767	0	35	-1.0	-51.73	308.29	1.57	-50.16
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CC=N1	REAL250004607767	1	35	-1.0	-51.72	308.23	1.56	-50.16
CCCC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607768	0	41	-1.0	-47.47	324.89	0.57	-46.90
CCCC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607768	1	41	-1.0	-47.51	324.95	0.59	-46.92
O=C(CCCC1=N[N-]N=N1)NCC1(CCO)CCCC1	REAL250004607769	0	42	-1.0	-46.91	326.78	1.11	-45.80
O=C(CCCC1=NN=N[N-]1)NCC1(CCO)CCCC1	REAL250004607769	1	42	-1.0	-46.95	326.83	1.12	-45.83
CCC(CC)(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607770	0	44	-1.0	-49.11	330.65	0.76	-48.35
CCC(CC)(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607770	1	44	-1.0	-49.13	330.71	0.77	-48.36
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC=NC=C21	REAL250004607771	0	34	-1.0	-48.50	290.62	3.96	-44.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=NC=C21	REAL250004607771	1	34	-1.0	-48.47	290.68	3.97	-44.50
CCC1=NOC(CC)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004607772	0	40	-1.0	-45.94	339.18	3.77	-42.17
CCC1=NOC(CC)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004607772	1	40	-1.0	-45.94	339.24	3.78	-42.16
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004607773	0	47	-1.0	-45.62	348.62	5.73	-39.89
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004607773	1	47	-1.0	-45.66	348.67	5.75	-39.91
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004607774	0	36	-1.0	-46.73	293.46	1.53	-45.20
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004607774	1	36	-1.0	-46.73	293.52	1.55	-45.18
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL250004607775	0	36	-1.0	-36.83	304.05	1.32	-35.51
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL250004607775	1	36	-1.0	-36.79	304.12	1.33	-35.46
CN1C=NC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004607776	0	34	-1.0	-55.16	298.22	2.51	-52.65
CN1C=NC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004607776	1	34	-1.0	-55.14	298.27	2.53	-52.61
CN1C=NC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004607777	0	34	-1.0	-42.75	308.81	2.31	-40.44
CN1C=NC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004607777	1	34	-1.0	-42.72	308.88	2.32	-40.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CC1CC1	REAL250004607778	0	36	-1.0	-49.32	306.89	4.46	-44.86
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CC1CC1	REAL250004607778	1	36	-1.0	-49.26	306.83	4.45	-44.81
CC(C)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607779	0	44	-1.0	-46.26	332.90	5.29	-40.97
CC(C)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607779	1	44	-1.0	-46.28	332.95	5.30	-40.98
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004607780	0	38	-1.0	-52.94	318.96	3.78	-49.16
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004607780	1	38	-1.0	-52.95	319.02	3.80	-49.15
CCCCC(CCC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607781	0	46	-1.0	-46.15	356.47	5.47	-40.68
CCCCC(CCC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607781	1	46	-1.0	-46.18	356.52	5.49	-40.69
COC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004607782	0	39	-1.0	-48.19	328.93	3.48	-44.71
COC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004607782	1	39	-1.0	-48.17	328.99	3.50	-44.67
CN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004607783	0	36	-1.0	-52.81	307.25	2.73	-50.08
CN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004607783	1	36	-1.0	-52.85	307.31	2.75	-50.10
CN(CC1=CC=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL250004607784	0	36	-1.0	-48.81	301.46	3.01	-45.80
CN(CC1=CC=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL250004607784	1	36	-1.0	-48.76	301.52	3.03	-45.73
O=C(CCCC1=N[N-]N=N1)NCCSCCCO	REAL250004607785	0	36	-1.0	-51.26	318.29	0.02	-51.24
O=C(CCCC1=NN=N[N-]1)NCCSCCCO	REAL250004607785	1	36	-1.0	-51.26	318.35	0.04	-51.22
CC(C1=CC=CC(O)=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004607786	0	39	-1.0	-48.15	319.58	3.67	-44.48
CC(C1=CC=CC(O)=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004607786	1	39	-1.0	-48.16	319.64	3.69	-44.47
O=C(NCC1(CO)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607787	0	36	-1.0	-56.17	306.63	2.17	-54.00
O=C(NCC1(CO)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607787	1	36	-1.0	-55.94	306.65	2.17	-53.77
O=C(NCC1(CO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607788	0	33	-1.0	-36.93	293.40	-0.95	-37.88
O=C(NCC1(CO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607788	1	33	-1.0	-36.87	293.47	-0.94	-37.81
CC1=CNC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004607789	0	32	-1.0	-49.20	278.28	6.29	-42.91
CC1=CNC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004607789	1	32	-1.0	-49.03	278.38	6.31	-42.72
CC1=CNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004607790	0	29	-1.0	-36.33	264.49	3.17	-33.16
CC1=CNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004607790	1	29	-1.0	-36.35	264.56	3.18	-33.17
O=C(CCCC1=NN=N[N-]1)NCCN1N=CN=N1	REAL250004607791	0	30	-1.0	-53.38	270.58	0.31	-53.07
O=C(CCCC1=N[N-]N=N1)NCCN1N=CN=N1	REAL250004607791	1	30	-1.0	-53.38	270.52	0.30	-53.08
O=C(NCCN1N=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607792	0	30	-1.0	-39.87	281.19	0.10	-39.77
O=C(NCCN1N=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607792	1	30	-1.0	-39.92	281.12	0.09	-39.83
O=C(CCCC1=NN=N[N-]1)NCCN1C=NN=N1	REAL250004607793	0	30	-1.0	-59.77	270.17	0.64	-59.13
O=C(CCCC1=N[N-]N=N1)NCCN1C=NN=N1	REAL250004607793	1	30	-1.0	-59.78	270.11	0.63	-59.15
O=C(NCCN1C=NN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607794	0	30	-1.0	-45.08	280.77	0.43	-44.65
O=C(NCCN1C=NN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607794	1	30	-1.0	-45.08	280.71	0.42	-44.66
COC(=O)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607795	0	32	-1.0	-46.75	299.26	3.12	-43.63
COC(=O)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607795	1	32	-1.0	-46.80	299.31	3.13	-43.67
COCC(C)(C#N)NC(=O)CCCC1=N[N-]N=N1	REAL250004607796	0	33	-1.0	-54.65	286.42	0.44	-54.21
COCC(C)(C#N)NC(=O)CCCC1=NN=N[N-]1	REAL250004607796	1	33	-1.0	-54.66	286.48	0.46	-54.20
COCC(C)(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607797	0	33	-1.0	-39.80	296.99	0.26	-39.54
COCC(C)(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607797	1	33	-1.0	-39.77	297.06	0.26	-39.51
CC(C)CC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607798	0	44	-1.0	-48.66	345.41	1.18	-47.48
CC(C)CC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607798	1	44	-1.0	-48.63	345.46	1.20	-47.43
CN(CCC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004607799	0	42	-1.0	-49.71	330.60	4.15	-45.56
CN(CCC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004607799	1	42	-1.0	-49.69	330.65	4.17	-45.52
CCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607800	0	41	-1.0	-46.95	317.41	5.63	-41.32
CCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607800	1	41	-1.0	-46.97	317.46	5.64	-41.33
NC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607801	0	38	-1.0	-51.14	306.96	-1.81	-52.95
NC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607801	1	38	-1.0	-51.16	307.02	-1.79	-52.95
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2COCC2=C1	REAL250004607802	0	37	-1.0	-46.95	315.05	2.78	-44.17
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2COCC2=C1	REAL250004607802	1	37	-1.0	-46.94	315.11	2.79	-44.15
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607803	0	39	-1.0	-46.95	324.57	2.28	-44.67
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607803	1	39	-1.0	-46.98	324.63	2.29	-44.69
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCCO	REAL250004607804	0	33	-1.0	-48.96	289.49	-4.37	-53.33
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCCO	REAL250004607804	1	33	-1.0	-48.96	289.54	-4.35	-53.31
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)NCCO	REAL250004607805	0	33	-1.0	-41.85	300.08	-4.58	-46.43
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)NCCO	REAL250004607805	1	33	-1.0	-41.84	300.15	-4.57	-46.41
O=C(CCCC1=N[N-]N=N1)N[C@@H](CO)C1=CC=CC=C1	REAL250004607806	0	36	-1.0	-46.55	305.37	1.14	-45.41
O=C(CCCC1=NN=N[N-]1)N[C@@H](CO)C1=CC=CC=C1	REAL250004607806	1	36	-1.0	-46.52	305.43	1.16	-45.36
O=C(NCC(O)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607807	0	29	-1.0	-38.45	274.36	-2.05	-40.50
O=C(NCC(O)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607807	1	29	-1.0	-38.41	274.43	-2.03	-40.44
CC(C)(C)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607808	0	38	-1.0	-45.70	302.45	-0.10	-45.80
CC(C)(C)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607808	1	38	-1.0	-45.74	302.50	-0.09	-45.83
CC(C)(C)C(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607809	0	38	-1.0	-35.70	313.04	-0.32	-36.02
CC(C)(C)C(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607809	1	38	-1.0	-35.69	313.11	-0.31	-36.00
CCC(CC)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607810	0	41	-1.0	-45.88	321.06	0.39	-45.49
CCC(CC)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607810	1	41	-1.0	-45.86	321.12	0.41	-45.45
CCCC(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607811	0	38	-1.0	-51.51	318.35	2.44	-49.07
CCCC(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607811	1	38	-1.0	-51.35	318.42	2.47	-48.88
CCCC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607812	0	35	-1.0	-36.23	304.50	-0.70	-36.93
CCCC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607812	1	35	-1.0	-36.17	304.56	-0.69	-36.86
CCC(C)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607813	0	38	-1.0	-45.88	307.15	-0.11	-45.99
CCC(C)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607813	1	38	-1.0	-45.93	307.20	-0.09	-46.02
CCC(C)C(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607814	0	38	-1.0	-35.81	315.46	-0.12	-35.93
CCC(C)C(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607814	1	38	-1.0	-35.82	315.52	-0.11	-35.93
CC1=CC=CC=C1C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607815	0	39	-1.0	-47.60	324.47	1.73	-45.87
CC1=CC=CC=C1C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607815	1	39	-1.0	-47.64	324.53	1.74	-45.90
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCOCC1	REAL250004607816	0	40	-1.0	-46.86	318.84	-0.98	-47.84
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCOCC1	REAL250004607816	1	40	-1.0	-46.82	318.90	-0.97	-47.79
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCC1	REAL250004607817	0	39	-1.0	-45.76	311.19	0.80	-44.96
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCC1	REAL250004607817	1	39	-1.0	-45.75	311.24	0.82	-44.93
CC(C)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607818	0	38	-1.0	-46.02	311.11	0.01	-46.01
CC(C)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607818	1	38	-1.0	-46.01	311.16	0.02	-45.99
CC(C)CC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607819	0	38	-1.0	-36.16	321.70	-0.20	-36.36
CC(C)CC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607819	1	38	-1.0	-36.12	321.77	-0.19	-36.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OCCF)=C1	REAL250004607820	0	36	-1.0	-54.81	311.20	3.72	-51.09
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OCCF)=C1	REAL250004607820	1	36	-1.0	-54.87	311.26	3.74	-51.13
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CSC=C1	REAL250004607821	0	33	-1.0	-47.31	298.74	0.09	-47.22
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CSC=C1	REAL250004607821	1	33	-1.0	-47.37	298.80	0.10	-47.27
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004607822	0	36	-1.0	-49.13	314.06	-0.02	-49.15
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004607822	1	36	-1.0	-49.16	314.11	-0.01	-49.17
CN1C=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004607823	0	36	-1.0	-51.67	312.47	-1.15	-52.82
CN1C=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004607823	1	36	-1.0	-51.68	312.42	-1.17	-52.85
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004607824	0	34	-1.0	-52.92	294.95	5.04	-47.88
CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004607824	1	34	-1.0	-52.75	294.53	5.09	-47.66
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004607825	0	31	-1.0	-36.01	280.10	2.01	-34.00
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004607825	1	31	-1.0	-36.04	280.17	2.02	-34.02
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC(F)=C21	REAL250004607826	0	33	-1.0	-55.65	280.75	5.65	-50.00
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC(F)=C21	REAL250004607826	1	33	-1.0	-55.67	280.80	5.67	-50.00
CC1(C)CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004607827	0	41	-1.0	-46.87	310.67	4.37	-42.50
CC1(C)CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004607827	1	41	-1.0	-46.90	310.73	4.38	-42.52
O=C(NC1C=CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607828	0	36	-1.0	-54.35	297.49	6.02	-48.33
O=C(NC1C=CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607828	1	36	-1.0	-54.17	297.59	6.02	-48.15
O=C(NC1C=CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607829	0	33	-1.0	-35.88	283.77	2.88	-33.00
O=C(NC1C=CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607829	1	33	-1.0	-35.91	283.84	2.89	-33.02
CC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607830	0	32	-1.0	-50.50	281.09	4.09	-46.41
CC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607830	1	32	-1.0	-50.51	281.15	4.11	-46.40
CC1=CC(F)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004607831	0	32	-1.0	-36.83	291.76	3.90	-32.93
CC1=CC(F)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004607831	1	32	-1.0	-36.85	291.69	3.88	-32.97
CC(C)C1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607832	0	47	-1.0	-46.82	350.05	5.33	-41.49
CC(C)C1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607832	1	47	-1.0	-46.82	350.10	5.35	-41.47
CC(C)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607833	0	44	-1.0	-44.41	325.03	6.02	-38.39
CC(C)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607833	1	44	-1.0	-44.40	325.08	6.03	-38.37
O=C(CCCC1=NN=N[N-]1)NCCN1C=C([N+](=O)[O-])C=N1	REAL250004607834	0	34	-1.0	-56.20	311.81	2.19	-54.01
O=C(CCCC1=N[N-]N=N1)NCCN1C=C([N+](=O)[O-])C=N1	REAL250004607834	1	34	-1.0	-56.19	311.75	2.17	-54.02
CC(NC(=O)CCCC1=N[N-]N=N1)C1CN(C)CCO1	REAL250004607836	0	41	-1.0	-45.41	327.24	0.17	-45.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1CN(C)CCO1	REAL250004607836	1	41	-1.0	-45.35	327.30	0.18	-45.17
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004607837	0	42	-1.0	-48.82	339.12	5.90	-42.92
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004607837	1	42	-1.0	-48.81	339.18	5.91	-42.90
COC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004607838	0	36	-1.0	-48.97	310.91	4.45	-44.52
COC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004607838	1	36	-1.0	-48.99	310.96	4.47	-44.52
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1O	REAL250004607839	0	36	-1.0	-49.81	292.32	-0.13	-49.94
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1O	REAL250004607839	1	36	-1.0	-49.79	292.38	-0.11	-49.90
O=C(NC1CCCCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607840	0	36	-1.0	-36.90	300.26	-0.15	-37.05
O=C(NC1CCCCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607840	1	36	-1.0	-36.88	300.32	-0.14	-37.02
O=C(CCCC1=N[N-]N=N1)NC1C2=CC=CC=C2CC1O	REAL250004607841	0	37	-1.0	-53.83	313.21	1.33	-52.50
O=C(CCCC1=NN=N[N-]1)NC1C2=CC=CC=C2CC1O	REAL250004607841	1	37	-1.0	-53.83	313.27	1.35	-52.48
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@H]1O	REAL250004607843	0	37	-1.0	-50.62	311.90	1.72	-48.90
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@H]1O	REAL250004607843	1	37	-1.0	-50.64	311.96	1.73	-48.91
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004607844	0	37	-1.0	-50.37	309.62	1.62	-48.75
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004607844	1	37	-1.0	-50.39	309.68	1.63	-48.76
CC(C)C(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607845	0	35	-1.0	-35.89	297.06	-0.76	-36.65
CC(C)C(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607845	1	35	-1.0	-35.83	297.12	-0.75	-36.58
CC1=NN=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004607846	0	37	-1.0	-55.65	314.27	-0.56	-56.21
CC1=NN=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004607846	1	37	-1.0	-55.65	314.32	-0.54	-56.19
CN(CC1=CC(Cl)=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004607847	0	36	-1.0	-53.39	314.16	5.36	-48.03
CN(CC1=CC(Cl)=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004607847	1	36	-1.0	-53.40	314.22	5.37	-48.03
NC(=O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004607848	0	33	-1.0	-57.08	291.36	-2.28	-59.36
NC(=O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004607848	1	33	-1.0	-57.08	291.41	-2.26	-59.34
NC(=O)COCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607849	0	33	-1.0	-47.34	301.95	-2.48	-49.82
NC(=O)COCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607849	1	33	-1.0	-47.35	302.02	-2.47	-49.82
O=C(NC1=CC=C(O)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607850	0	33	-1.0	-54.44	289.18	3.35	-51.09
O=C(NC1=CC=C(O)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607850	1	33	-1.0	-54.22	289.20	3.38	-50.84
O=C(NC1=CC=C(O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607851	0	30	-1.0	-37.00	274.62	0.28	-36.72
O=C(NC1=CC=C(O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607851	1	30	-1.0	-36.95	274.69	0.29	-36.66
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1	REAL250004607852	0	36	-1.0	-47.70	308.04	1.17	-46.53
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1	REAL250004607852	1	36	-1.0	-47.68	308.10	1.19	-46.49
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004607853	0	33	-1.0	-50.34	284.09	1.26	-49.08
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004607853	1	33	-1.0	-50.38	284.14	1.28	-49.10
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1O	REAL250004607854	0	33	-1.0	-38.49	294.96	1.04	-37.45
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1O	REAL250004607854	1	33	-1.0	-38.45	295.02	1.06	-37.39
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C(F)C=C1	REAL250004607855	0	36	-1.0	-48.46	314.94	1.16	-47.30
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C(F)C=C1	REAL250004607855	1	36	-1.0	-48.50	314.99	1.17	-47.33
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CO1	REAL250004607856	0	33	-1.0	-48.90	292.15	-0.86	-49.76
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CO1	REAL250004607856	1	33	-1.0	-48.90	292.20	-0.85	-49.75
CC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004607857	0	35	-1.0	-59.46	301.10	2.85	-56.61
CC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004607857	1	35	-1.0	-59.44	301.16	2.86	-56.58
CC(C)COCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607859	0	42	-1.0	-46.76	348.72	-0.34	-47.10
CC(C)COCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607859	1	42	-1.0	-46.80	348.78	-0.32	-47.12
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004607860	0	39	-1.0	-47.72	329.45	1.85	-45.87
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004607860	1	39	-1.0	-47.73	329.50	1.86	-45.87
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1O	REAL250004607861	0	36	-1.0	-48.14	300.55	2.19	-45.95
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1O	REAL250004607861	1	36	-1.0	-48.17	300.61	2.21	-45.96
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCCC1	REAL250004607862	0	42	-1.0	-45.77	328.09	1.34	-44.43
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCCC1	REAL250004607862	1	42	-1.0	-45.75	328.15	1.35	-44.40
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC(F)=C1	REAL250004607863	0	36	-1.0	-48.61	314.94	1.16	-47.45
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC(F)=C1	REAL250004607863	1	36	-1.0	-48.61	315.00	1.17	-47.44
O=C(CCCC1=N[N-]N=N1)NCC(O)COCC1CC1	REAL250004607864	0	40	-1.0	-47.14	338.79	-0.25	-47.39
O=C(CCCC1=NN=N[N-]1)NCC(O)COCC1CC1	REAL250004607864	1	40	-1.0	-47.15	338.85	-0.24	-47.39
CC1CCC(C)N1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607865	0	38	-1.0	-56.21	292.51	6.33	-49.88
CC1CCC(C)N1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607865	1	38	-1.0	-55.86	292.02	6.40	-49.46
CC1CCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607866	0	35	-1.0	-36.64	281.13	4.63	-32.01
CC1CCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607866	1	35	-1.0	-36.57	281.19	4.63	-31.94
O=C(CCCC1=N[N-]N=N1)N1CCC2OCCCC2C1	REAL250004607867	0	40	-1.0	-47.98	309.96	3.71	-44.27
O=C(CCCC1=NN=N[N-]1)N1CCC2OCCCC2C1	REAL250004607867	1	40	-1.0	-47.98	310.02	3.73	-44.25
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004607868	0	40	-1.0	-45.92	305.18	3.92	-42.00
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004607868	1	40	-1.0	-46.00	305.24	3.93	-42.07
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004607869	0	40	-1.0	-35.18	317.05	4.09	-31.09
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004607869	1	40	-1.0	-35.18	317.12	4.10	-31.08
CC(C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607870	0	47	-1.0	-46.55	356.39	6.93	-39.62
CC(C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607870	1	47	-1.0	-46.56	356.45	6.95	-39.61
COC(=O)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607871	0	38	-1.0	-51.07	316.58	4.02	-47.05
COC(=O)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607871	1	38	-1.0	-51.07	316.64	4.03	-47.04
O=C(CCCC1=N[N-]N=N1)NC1CCC(=O)C2=CC=CC=C21	REAL250004607872	0	38	-1.0	-48.57	314.69	4.26	-44.31
O=C(CCCC1=NN=N[N-]1)NC1CCC(=O)C2=CC=CC=C21	REAL250004607872	1	38	-1.0	-48.54	314.75	4.27	-44.27
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1=CC=CC=N1	REAL250004607873	0	35	-1.0	-48.14	305.71	2.04	-46.10
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1=CC=CC=N1	REAL250004607873	1	35	-1.0	-48.08	305.76	2.06	-46.02
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(CCC2)C1	REAL250004607874	0	36	-1.0	-56.32	295.58	6.37	-49.95
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(CCC2)C1	REAL250004607874	1	36	-1.0	-55.63	296.21	6.40	-49.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CCC2)C1	REAL250004607875	0	33	-1.0	-36.99	283.84	3.84	-33.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CCC2)C1	REAL250004607875	1	33	-1.0	-36.91	283.91	3.85	-33.06
CON(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004607876	0	35	-1.0	-49.40	288.66	5.91	-43.49
CON(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004607876	1	35	-1.0	-49.15	288.76	5.92	-43.23
CON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004607877	0	32	-1.0	-35.99	273.31	3.38	-32.61
CON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004607877	1	32	-1.0	-35.95	273.38	3.39	-32.56
CCC(C)N(OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607878	0	35	-1.0	-35.99	287.93	4.16	-31.83
CCC(C)N(OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607878	1	35	-1.0	-35.96	287.99	4.17	-31.79
CCC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607879	0	38	-1.0	-49.23	303.35	-0.16	-49.39
CCC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607879	1	38	-1.0	-49.28	303.40	-0.15	-49.43
CCC(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607880	0	38	-1.0	-36.96	314.00	-0.38	-37.34
CCC(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607880	1	38	-1.0	-36.94	314.07	-0.38	-37.32
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004607881	0	39	-1.0	-47.23	304.08	1.98	-45.25
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004607881	1	39	-1.0	-47.27	304.13	1.99	-45.28
CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607882	0	36	-1.0	-48.24	286.57	1.02	-47.22
CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607882	1	36	-1.0	-48.22	286.63	1.04	-47.18
CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004607883	0	36	-1.0	-35.88	294.25	1.29	-34.59
CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004607883	1	36	-1.0	-35.85	294.32	1.29	-34.56
CC(C)CCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607884	0	44	-1.0	-48.47	341.75	6.31	-42.16
CC(C)CCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607884	1	44	-1.0	-48.49	341.81	6.32	-42.17
CCCC(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607885	0	44	-1.0	-48.57	335.38	6.68	-41.89
CCCC(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607885	1	44	-1.0	-48.54	335.44	6.69	-41.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCCO)C=C1	REAL250004607886	0	37	-1.0	-52.58	315.74	0.48	-52.10
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCCO)C=C1	REAL250004607886	1	37	-1.0	-52.61	315.80	0.49	-52.12
O=C(CCCC1=N[N-]N=N1)N1CCOC(CO)C1	REAL250004607887	0	34	-1.0	-49.17	280.59	-1.18	-50.35
O=C(CCCC1=NN=N[N-]1)N1CCOC(CO)C1	REAL250004607887	1	34	-1.0	-49.20	280.65	-1.17	-50.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(CO)C1	REAL250004607888	0	34	-1.0	-37.51	288.07	-0.96	-38.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(CO)C1	REAL250004607888	1	34	-1.0	-37.47	288.14	-0.93	-38.40
COC1=CC=C(O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607889	0	37	-1.0	-49.87	318.64	-0.08	-49.95
COC1=CC=C(O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607889	1	37	-1.0	-49.89	318.70	-0.06	-49.95
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(F)=C1	REAL250004607890	0	33	-1.0	-48.19	296.33	0.70	-47.49
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(F)=C1	REAL250004607890	1	33	-1.0	-48.19	296.39	0.72	-47.47
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607891	0	33	-1.0	-53.66	279.32	1.74	-51.92
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607891	1	33	-1.0	-53.46	279.41	1.76	-51.70
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607892	0	30	-1.0	-37.67	265.62	-1.38	-39.05
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607892	1	30	-1.0	-37.65	265.69	-1.36	-39.01
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(O)=C1	REAL250004607893	0	34	-1.0	-49.34	300.86	-1.45	-50.79
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(O)=C1	REAL250004607893	1	34	-1.0	-49.36	300.92	-1.44	-50.80
NC1=NC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004607894	0	32	-1.0	-46.57	280.96	0.31	-46.26
NC1=NC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004607894	1	32	-1.0	-46.57	281.02	0.32	-46.25
NC1=NC=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607895	0	32	-1.0	-37.16	291.55	0.10	-37.06
NC1=NC=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607895	1	32	-1.0	-37.11	291.62	0.10	-37.01
CC1=CC=CC(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607896	0	39	-1.0	-47.84	329.94	1.74	-46.10
CC1=CC=CC(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607896	1	39	-1.0	-47.82	330.00	1.76	-46.06
O=C(NCCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607897	0	31	-1.0	-52.32	272.01	4.25	-48.07
O=C(NCCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607897	1	31	-1.0	-52.09	272.08	4.28	-47.81
O=C(NCCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607898	0	28	-1.0	-35.98	257.85	1.17	-34.81
O=C(NCCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607898	1	28	-1.0	-36.00	257.92	1.18	-34.82
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004607899	0	35	-1.0	-48.31	298.12	0.88	-47.43
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004607899	1	35	-1.0	-48.35	298.17	0.90	-47.45
CC(C)COC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607900	0	42	-1.0	-47.92	339.96	4.34	-43.58
CC(C)COC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607900	1	42	-1.0	-47.95	340.02	4.35	-43.60
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN(C)C1=O	REAL250004607901	0	35	-1.0	-54.63	301.89	2.80	-51.83
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN(C)C1=O	REAL250004607901	1	35	-1.0	-54.64	301.95	2.82	-51.82
COC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004607902	0	41	-1.0	-48.91	328.56	5.56	-43.35
COC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004607902	1	41	-1.0	-48.89	328.62	5.58	-43.31
CC1=CC=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607903	0	32	-1.0	-45.67	289.40	4.67	-41.00
CC1=CC=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607903	1	32	-1.0	-45.68	289.46	4.69	-40.99
C=C(C)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004607904	0	36	-1.0	-47.41	306.94	1.98	-45.43
C=C(C)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004607904	1	36	-1.0	-47.39	307.00	1.99	-45.40
C=C(C)COCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607905	0	36	-1.0	-37.25	317.54	1.77	-35.48
C=C(C)COCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607905	1	36	-1.0	-37.24	317.60	1.78	-35.46
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL250004607906	0	34	-1.0	-51.29	292.87	-0.41	-51.70
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL250004607906	1	34	-1.0	-51.32	292.92	-0.40	-51.72
NC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004607907	0	31	-1.0	-49.67	274.43	-2.10	-51.77
NC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004607907	1	31	-1.0	-49.70	274.49	-2.08	-51.78
NC(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CN1	REAL250004607908	0	31	-1.0	-41.19	285.00	-2.29	-43.48
NC(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CN1	REAL250004607908	1	31	-1.0	-41.10	285.07	-2.28	-43.38
O=C(CCCC1=N[N-]N=N1)NCC(O)CN1CCCC1=O	REAL250004607909	0	40	-1.0	-53.35	335.84	-0.85	-54.20
O=C(CCCC1=NN=N[N-]1)NCC(O)CN1CCCC1=O	REAL250004607909	1	40	-1.0	-53.39	335.90	-0.84	-54.23
CC(CCCO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607910	0	38	-1.0	-56.98	318.09	2.57	-54.41
CC(CCCO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607910	1	38	-1.0	-56.79	318.17	2.58	-54.21
CC(CCCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607911	0	35	-1.0	-38.76	303.94	-0.53	-39.29
CC(CCCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607911	1	35	-1.0	-38.68	304.01	-0.52	-39.20
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC=CC1=O	REAL250004607912	0	35	-1.0	-58.54	304.38	2.56	-55.98
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC=CC1=O	REAL250004607912	1	35	-1.0	-58.50	304.44	2.57	-55.93
NC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004607913	0	35	-1.0	-49.45	310.94	-1.46	-50.91
NC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004607913	1	35	-1.0	-49.42	310.89	-1.48	-50.90
CC(C)(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607914	0	45	-1.0	-47.94	345.65	4.75	-43.19
CC(C)(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607914	1	45	-1.0	-47.94	345.71	4.76	-43.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=NC=CN2C=C1	REAL250004607915	0	35	-1.0	-51.73	305.57	4.04	-47.69
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=NC=CN2C=C1	REAL250004607915	1	35	-1.0	-51.81	305.63	4.06	-47.75
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004607916	0	37	-1.0	-48.34	319.34	0.61	-47.73
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004607916	1	37	-1.0	-48.33	319.40	0.62	-47.71
CC1=CC=C(CO)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004607917	0	36	-1.0	-51.84	303.63	1.53	-50.31
CC1=CC=C(CO)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004607917	1	36	-1.0	-51.86	303.68	1.55	-50.31
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(O)C(O)=C1	REAL250004607918	0	37	-1.0	-53.36	322.36	-0.68	-54.04
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(O)C(O)=C1	REAL250004607918	1	37	-1.0	-53.36	322.42	-0.67	-54.03
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C=C1	REAL250004607919	0	33	-1.0	-47.35	290.10	0.63	-46.72
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C=C1	REAL250004607919	1	33	-1.0	-47.33	290.16	0.64	-46.69
O=C(NCC1=CC=C(O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607920	0	33	-1.0	-37.26	300.70	0.41	-36.85
O=C(NCC1=CC=C(O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607920	1	33	-1.0	-37.24	300.77	0.42	-36.82
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(O)C=C1	REAL250004607921	0	36	-1.0	-50.45	311.60	1.40	-49.05
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(O)C=C1	REAL250004607921	1	36	-1.0	-50.44	311.66	1.41	-49.03
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(O)C=C2C1	REAL250004607922	0	37	-1.0	-48.58	306.53	2.93	-45.65
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(O)C=C2C1	REAL250004607922	1	37	-1.0	-48.61	306.59	2.94	-45.67
CN(CCCN1C=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004607923	0	38	-1.0	-53.08	320.65	5.94	-47.14
CN(CCCN1C=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004607923	1	38	-1.0	-53.06	320.71	5.96	-47.10
CC(C)N(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004607924	0	34	-1.0	-49.01	276.66	4.05	-44.96
CC(C)N(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004607924	1	34	-1.0	-48.99	276.71	4.06	-44.93
CC(C)N(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607925	0	34	-1.0	-38.93	280.70	4.65	-34.28
CC(C)N(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607925	1	34	-1.0	-38.87	280.77	4.66	-34.21
CC(CC1=CC=C(O)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004607926	0	39	-1.0	-51.39	329.87	2.39	-49.00
CC(CC1=CC=C(O)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004607926	1	39	-1.0	-51.41	329.93	2.40	-49.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004607927	0	36	-1.0	-48.79	307.58	1.45	-47.34
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004607927	1	36	-1.0	-48.80	307.64	1.46	-47.34
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(O)=C1	REAL250004607928	0	36	-1.0	-50.63	311.61	1.39	-49.24
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(O)=C1	REAL250004607928	1	36	-1.0	-50.66	311.67	1.41	-49.25
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1O	REAL250004607929	0	33	-1.0	-47.36	289.05	0.66	-46.70
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1O	REAL250004607929	1	33	-1.0	-47.36	289.10	0.68	-46.68
O=C(NCC1=CC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607930	0	33	-1.0	-37.82	299.64	0.46	-37.36
O=C(NCC1=CC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607930	1	33	-1.0	-37.84	299.71	0.46	-37.38
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004607931	0	37	-1.0	-50.49	318.27	0.63	-49.86
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004607931	1	37	-1.0	-50.56	318.33	0.65	-49.91
O=C(CCCC1=N[N-]N=N1)NCC1C2CC3=CC=CC=C3C12	REAL250004607932	0	40	-1.0	-47.08	334.48	6.12	-40.96
O=C(CCCC1=NN=N[N-]1)NCC1C2CC3=CC=CC=C3C12	REAL250004607932	1	40	-1.0	-47.05	334.53	6.14	-40.91
CC(CC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004607933	0	39	-1.0	-49.35	311.68	1.94	-47.41
CC(CC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004607933	1	39	-1.0	-49.31	311.74	1.96	-47.35
CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607934	0	38	-1.0	-46.05	312.39	3.98	-42.07
CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607934	1	38	-1.0	-46.04	312.45	4.00	-42.04
CCCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004607935	0	38	-1.0	-34.77	322.98	3.78	-30.99
CCCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004607935	1	38	-1.0	-34.71	323.05	3.78	-30.93
NC(=O)C1CCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004607936	0	37	-1.0	-54.27	313.98	-1.28	-55.55
NC(=O)C1CCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004607936	1	37	-1.0	-54.25	314.04	-1.27	-55.52
CC(C)C(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004607937	0	38	-1.0	-46.77	302.21	-0.03	-46.80
CC(C)C(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004607937	1	38	-1.0	-46.77	302.26	-0.01	-46.78
CC(C)C(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607938	0	38	-1.0	-36.10	312.79	-0.23	-36.33
CC(C)C(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607938	1	38	-1.0	-36.05	312.86	-0.20	-36.25
NC(=O)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607939	0	32	-1.0	-48.59	292.87	-2.29	-50.88
NC(=O)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607939	1	32	-1.0	-48.58	292.93	-2.28	-50.86
CC1=NN(C)C2=C1N(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL250004607940	0	37	-1.0	-51.46	301.78	1.96	-49.50
CC1=NN(C)C2=C1N(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL250004607940	1	37	-1.0	-51.47	301.84	1.98	-49.49
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CN=N2)=C1	REAL250004607941	0	35	-1.0	-51.63	305.47	3.28	-48.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CN=N2)=C1	REAL250004607941	1	35	-1.0	-51.65	305.41	3.26	-48.39
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCC2)C1	REAL250004607942	0	40	-1.0	-46.86	317.14	2.61	-44.25
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCC2)C1	REAL250004607942	1	40	-1.0	-46.90	317.20	2.63	-44.27
CC(C)OC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004607943	0	40	-1.0	-48.05	327.89	4.86	-43.19
CC(C)OC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004607943	1	40	-1.0	-48.08	327.95	4.87	-43.21
CCC(CC)(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607944	0	43	-1.0	-46.13	319.23	4.10	-42.03
CCC(CC)(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607944	1	43	-1.0	-46.16	319.29	4.11	-42.05
CC(C)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607945	0	44	-1.0	-47.13	335.12	6.15	-40.98
CC(C)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607945	1	44	-1.0	-47.12	335.17	6.16	-40.96
CSCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607946	0	36	-1.0	-48.58	298.81	4.71	-43.87
CSCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607946	1	36	-1.0	-48.59	298.87	4.73	-43.86
CN(CCOC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004607947	0	41	-1.0	-46.01	324.80	3.88	-42.13
CN(CCOC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004607947	1	41	-1.0	-46.04	324.86	3.89	-42.15
CN(C(=O)CCCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL250004607948	0	39	-1.0	-49.95	320.95	6.58	-43.37
CN(C(=O)CCCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL250004607948	1	39	-1.0	-49.95	321.01	6.59	-43.36
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCOCC2)C1	REAL250004607950	0	41	-1.0	-47.78	316.03	2.30	-45.48
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCOCC2)C1	REAL250004607950	1	41	-1.0	-47.74	316.09	2.31	-45.43
CCCCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607951	0	44	-1.0	-48.40	345.42	6.56	-41.84
CCCCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607951	1	44	-1.0	-48.41	345.47	6.57	-41.84
CC(COC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004607952	0	40	-1.0	-46.90	329.00	0.91	-45.99
CC(COC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004607952	1	40	-1.0	-46.89	329.06	0.92	-45.97
COC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004607953	0	33	-1.0	-49.31	289.17	2.72	-46.59
COC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004607953	1	33	-1.0	-49.29	289.23	2.73	-46.56
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CCO)C=C1	REAL250004607955	0	36	-1.0	-49.61	307.31	1.47	-48.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CCO)C=C1	REAL250004607955	1	36	-1.0	-49.63	307.36	1.48	-48.15
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1CO	REAL250004607956	0	36	-1.0	-46.90	306.56	0.94	-45.96
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1CO	REAL250004607956	1	36	-1.0	-46.91	306.62	0.95	-45.96
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(CO)=C1	REAL250004607957	0	36	-1.0	-48.63	311.89	0.80	-47.83
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(CO)=C1	REAL250004607957	1	36	-1.0	-48.68	311.95	0.81	-47.87
CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004607958	0	36	-1.0	-50.70	307.29	2.74	-47.96
CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004607958	1	36	-1.0	-50.71	307.35	2.75	-47.96
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004607959	0	41	-1.0	-45.73	319.32	5.47	-40.26
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004607959	1	41	-1.0	-45.75	319.37	5.49	-40.26
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCOC1	REAL250004607960	0	40	-1.0	-47.71	331.62	0.72	-46.99
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCOC1	REAL250004607960	1	40	-1.0	-47.71	331.68	0.74	-46.97
CC(CCS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004607961	0	37	-1.0	-54.77	324.06	-0.22	-54.99
CC(CCS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004607961	1	37	-1.0	-54.71	324.12	-0.20	-54.91
O=C(CCCC1=N[N-]N=N1)NCCC1=CSC=N1	REAL250004607962	0	31	-1.0	-51.25	284.88	1.26	-49.99
O=C(CCCC1=NN=N[N-]1)NCCC1=CSC=N1	REAL250004607962	1	31	-1.0	-51.27	284.94	1.28	-49.99
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCS1	REAL250004607963	0	36	-1.0	-46.69	301.86	3.68	-43.01
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCS1	REAL250004607963	1	36	-1.0	-46.66	301.92	3.70	-42.96
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004607964	0	36	-1.0	-48.35	314.15	2.79	-45.56
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004607964	1	36	-1.0	-48.33	314.20	2.80	-45.53
CC1=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=NN1C	REAL250004607965	0	35	-1.0	-59.97	297.72	4.51	-55.46
CC1=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=NN1C	REAL250004607965	1	35	-1.0	-59.80	297.82	4.53	-55.27
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1C	REAL250004607966	0	32	-1.0	-39.72	283.93	1.40	-38.32
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NN1C	REAL250004607966	1	32	-1.0	-39.71	284.00	1.41	-38.30
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2CCCO2)C1	REAL250004607967	0	41	-1.0	-48.45	323.31	2.72	-45.73
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2CCCO2)C1	REAL250004607967	1	41	-1.0	-48.49	323.36	2.73	-45.76
COCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004607968	0	38	-1.0	-45.85	318.86	1.08	-44.77
COCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004607968	1	38	-1.0	-45.85	318.92	1.10	-44.75
C=CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607969	0	32	-1.0	-53.12	277.33	4.70	-48.42
C=CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607969	1	32	-1.0	-52.99	277.40	4.72	-48.27
CC(C)N(CC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607970	0	35	-1.0	-42.02	293.90	6.03	-35.99
CC(C)N(CC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607970	1	35	-1.0	-41.86	294.09	6.03	-35.83
CC(C)N(CC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607971	0	32	-1.0	-39.92	279.01	4.18	-35.74
CC(C)N(CC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607971	1	32	-1.0	-39.84	279.07	4.18	-35.66
O=C(CCCC1=N[N-]N=N1)N1CC(=O)NC2CCCCC21	REAL250004607972	0	40	-1.0	-47.04	310.62	1.96	-45.08
O=C(CCCC1=NN=N[N-]1)N1CC(=O)NC2CCCCC21	REAL250004607972	1	40	-1.0	-47.05	310.67	1.98	-45.07
C#CCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607973	0	36	-1.0	-55.12	314.20	6.19	-48.93
C#CCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607973	1	36	-1.0	-54.86	314.26	6.21	-48.65
C#CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607974	0	33	-1.0	-36.70	300.04	3.10	-33.60
C#CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607974	1	33	-1.0	-36.62	300.11	3.11	-33.51
CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004607975	0	41	-1.0	-46.12	323.93	4.50	-41.62
CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004607975	1	41	-1.0	-46.12	323.98	4.51	-41.61
COC(C)(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004607976	0	38	-1.0	-45.33	295.70	2.87	-42.46
COC(C)(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004607976	1	38	-1.0	-45.31	295.75	2.89	-42.42
COC(C)(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607977	0	38	-1.0	-35.68	303.83	3.25	-32.43
COC(C)(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607977	1	38	-1.0	-35.66	303.88	3.27	-32.39
CC(C)CN(CC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004607978	0	46	-1.0	-46.32	340.34	6.42	-39.90
CC(C)CN(CC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004607978	1	46	-1.0	-46.32	340.40	6.44	-39.88
COC(=O)[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607979	0	34	-1.0	-49.92	297.58	4.33	-45.59
COC(=O)[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607979	1	34	-1.0	-49.69	297.68	4.35	-45.34
COC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607980	0	31	-1.0	-37.19	283.79	1.21	-35.98
COC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607980	1	31	-1.0	-37.20	283.86	1.22	-35.98
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CC=C1	REAL250004607981	0	39	-1.0	-46.47	321.83	1.60	-44.87
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CC=C1	REAL250004607981	1	39	-1.0	-46.46	321.89	1.62	-44.84
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1CO	REAL250004607982	0	39	-1.0	-46.76	307.22	1.09	-45.67
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1CO	REAL250004607982	1	39	-1.0	-46.78	307.28	1.11	-45.67
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1	REAL250004607983	0	29	-1.0	-46.35	276.41	3.94	-42.41
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1	REAL250004607983	1	29	-1.0	-46.38	276.47	3.95	-42.43
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCCCC1	REAL250004607984	0	45	-1.0	-45.50	340.90	2.04	-43.46
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCCCC1	REAL250004607984	1	45	-1.0	-45.49	340.96	2.06	-43.43
CCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607985	0	38	-1.0	-47.18	300.44	4.53	-42.65
CCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607985	1	38	-1.0	-47.21	300.49	4.55	-42.66
CCC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004607986	0	38	-1.0	-36.24	304.82	4.68	-31.56
CCC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004607986	1	38	-1.0	-36.23	304.88	4.69	-31.54
CCC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004607987	0	39	-1.0	-51.43	323.52	2.06	-49.37
CCC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004607987	1	39	-1.0	-51.46	323.58	2.07	-49.39
CC(C)CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004607988	0	47	-1.0	-46.09	350.10	6.90	-39.19
CC(C)CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004607988	1	47	-1.0	-46.11	350.16	6.92	-39.19
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CC1	REAL250004607989	0	36	-1.0	-46.85	293.90	0.83	-46.02
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CC1	REAL250004607989	1	36	-1.0	-46.88	293.95	0.85	-46.03
O=C(NC(CCO)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607990	0	36	-1.0	-36.06	304.48	0.66	-35.40
O=C(NC(CCO)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607990	1	36	-1.0	-36.01	304.55	0.65	-35.36
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@@H](CO)CC1	REAL250004607991	0	39	-1.0	-49.13	308.52	0.86	-48.27
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@@H](CO)CC1	REAL250004607991	1	39	-1.0	-49.21	308.58	0.88	-48.33
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C=C[C@H](CO)C1	REAL250004607992	0	34	-1.0	-48.92	284.69	-0.20	-49.12
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C=C[C@H](CO)C1	REAL250004607992	1	34	-1.0	-48.92	284.75	-0.19	-49.11
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607993	0	34	-1.0	-36.84	295.21	-0.40	-37.24
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607993	1	34	-1.0	-36.79	295.28	-0.39	-37.18
CC(CO)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607994	0	38	-1.0	-53.23	312.22	2.37	-50.86
CC(CO)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607994	1	38	-1.0	-53.05	312.29	2.39	-50.66
CC(CO)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607995	0	35	-1.0	-36.90	293.71	-1.02	-37.92
CC(CO)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607995	1	35	-1.0	-36.86	293.77	-1.01	-37.87
CCC(CCO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004607996	0	38	-1.0	-52.45	310.43	2.40	-50.05
CCC(CCO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004607996	1	38	-1.0	-52.23	310.50	2.42	-49.81
CCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607997	0	35	-1.0	-36.14	296.28	-0.71	-36.85
CCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607997	1	35	-1.0	-36.18	296.34	-0.70	-36.88
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](CO)CC1	REAL250004607998	0	39	-1.0	-49.45	312.95	0.45	-49.00
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](CO)CC1	REAL250004607998	1	39	-1.0	-49.42	313.01	0.47	-48.95
CSC(CO)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004607999	0	36	-1.0	-47.10	303.48	0.89	-46.21
CSC(CO)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004607999	1	36	-1.0	-47.16	303.54	0.91	-46.25
COCC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004608000	0	36	-1.0	-46.48	304.31	-1.96	-48.44
COCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004608000	1	36	-1.0	-46.46	304.37	-1.95	-48.41
COCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608001	0	36	-1.0	-37.13	307.75	-2.47	-39.60
COCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608001	1	36	-1.0	-37.13	307.83	-2.46	-39.59
CSCC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004608002	0	36	-1.0	-47.68	309.39	-0.14	-47.82
CSCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004608002	1	36	-1.0	-47.68	309.45	-0.13	-47.81
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CS1	REAL250004608003	0	36	-1.0	-45.10	313.49	0.67	-44.43
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CS1	REAL250004608003	1	36	-1.0	-45.06	313.55	0.69	-44.37
CC(CO)(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004608004	0	36	-1.0	-45.58	288.11	-0.10	-45.68
CC(CO)(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004608004	1	36	-1.0	-45.60	288.17	-0.09	-45.69
CC(CO)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004608005	0	36	-1.0	-36.78	297.93	-0.37	-37.15
CC(CO)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004608005	1	36	-1.0	-36.80	298.00	-0.37	-37.17
CCC(CC(C)CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004608006	0	41	-1.0	-49.26	323.66	0.85	-48.41
CCC(CC(C)CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004608006	1	41	-1.0	-49.25	323.72	0.86	-48.39
CC1COC(CO)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004608007	0	37	-1.0	-49.57	299.60	-0.39	-49.96
CC1COC(CO)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004608007	1	37	-1.0	-49.60	299.65	-0.38	-49.98
CNC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608008	0	39	-1.0	-57.05	309.88	2.96	-54.09
CNC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608008	1	39	-1.0	-57.06	309.94	2.97	-54.09
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)(F)C1	REAL250004608009	0	35	-1.0	-49.17	292.54	3.27	-45.90
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)(F)C1	REAL250004608009	1	35	-1.0	-49.18	292.60	3.29	-45.89
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(CO)CC1	REAL250004608010	0	42	-1.0	-48.92	326.60	2.26	-46.66
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(CO)CC1	REAL250004608010	1	42	-1.0	-48.94	326.66	2.28	-46.66
NC(=O)C1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004608011	0	33	-1.0	-60.89	291.20	0.78	-60.11
NC(=O)C1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004608011	1	33	-1.0	-60.40	291.03	0.83	-59.57
NC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004608012	0	30	-1.0	-37.29	276.02	-1.92	-39.21
NC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004608012	1	30	-1.0	-37.24	276.09	-1.90	-39.14
CCNC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608013	0	38	-1.0	-52.86	327.64	3.69	-49.17
CCNC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608013	1	38	-1.0	-52.91	327.70	3.70	-49.21
COC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608014	0	37	-1.0	-52.57	310.23	2.68	-49.89
COC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608014	1	37	-1.0	-52.57	310.28	2.70	-49.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)C1CC1	REAL250004608015	0	33	-1.0	-35.84	278.50	1.43	-34.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)C1CC1	REAL250004608015	1	33	-1.0	-35.82	278.57	1.43	-34.39
O=C(CCCC1=N[N-]N=N1)N1CCSC2COCCC21	REAL250004608016	0	38	-1.0	-46.32	303.71	3.42	-42.90
O=C(CCCC1=NN=N[N-]1)N1CCSC2COCCC21	REAL250004608016	1	38	-1.0	-46.34	303.77	3.43	-42.91
COC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004608017	0	33	-1.0	-48.38	293.82	2.84	-45.54
COC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004608017	1	33	-1.0	-48.38	293.88	2.85	-45.53
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(Cl)C=CC=C21	REAL250004608018	0	33	-1.0	-45.18	289.90	5.81	-39.37
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(Cl)C=CC=C21	REAL250004608018	1	33	-1.0	-45.18	289.96	5.82	-39.36
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004608020	0	44	-1.0	-45.94	332.61	5.16	-40.78
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004608020	1	44	-1.0	-46.00	332.67	5.18	-40.82
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOC2)C1	REAL250004608021	0	37	-1.0	-47.67	295.24	2.54	-45.13
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOC2)C1	REAL250004608021	1	37	-1.0	-47.69	295.30	2.55	-45.14
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004608022	0	41	-1.0	-46.24	315.36	4.45	-41.79
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004608022	1	41	-1.0	-46.17	315.42	4.47	-41.70
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCCC2)C1	REAL250004608023	0	43	-1.0	-46.63	331.31	3.18	-43.45
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCCC2)C1	REAL250004608023	1	43	-1.0	-46.64	331.37	3.19	-43.45
CC1=CC(Cl)=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608024	0	31	-1.0	-50.50	282.87	2.81	-47.69
CC1=CC(Cl)=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608024	1	31	-1.0	-50.53	282.92	2.83	-47.70
O=C(CCCC1=N[N-]N=N1)NC1C2C1C1CCC2C1	REAL250004608025	0	37	-1.0	-46.58	293.71	4.15	-42.43
O=C(CCCC1=NN=N[N-]1)NC1C2C1C1CCC2C1	REAL250004608025	1	37	-1.0	-46.59	293.77	4.16	-42.43
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608026	0	37	-1.0	-35.00	304.30	3.93	-31.07
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608026	1	37	-1.0	-34.96	304.37	3.94	-31.02
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CNN=C2C1	REAL250004608027	0	36	-1.0	-53.55	299.56	1.69	-51.86
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CNN=C2C1	REAL250004608027	1	36	-1.0	-53.59	299.62	1.70	-51.89
O=C(CCCC1=N[N-]N=N1)NCC1CCCS1	REAL250004608028	0	33	-1.0	-46.66	284.98	3.01	-43.65
O=C(CCCC1=NN=N[N-]1)NCC1CCCS1	REAL250004608028	1	33	-1.0	-46.70	285.04	3.03	-43.67
O=C(NCC1CCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608029	0	33	-1.0	-37.65	295.55	2.79	-34.86
O=C(NCC1CCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608029	1	33	-1.0	-37.56	295.62	2.81	-34.75
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004608030	0	44	-1.0	-46.67	346.78	5.74	-40.93
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004608030	1	44	-1.0	-46.68	346.84	5.75	-40.93
CN(CCC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004608031	0	43	-1.0	-50.19	347.64	5.38	-44.81
CN(CCC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004608031	1	43	-1.0	-50.23	347.70	5.39	-44.84
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(C(N)=O)S1	REAL250004608032	0	33	-1.0	-58.72	297.85	-0.02	-58.74
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(C(N)=O)S1	REAL250004608032	1	33	-1.0	-58.67	297.91	0.00	-58.67
CCOCC(C(=O)OC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608033	0	41	-1.0	-47.21	339.02	3.60	-43.61
CCOCC(C(=O)OC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608033	1	41	-1.0	-47.19	339.08	3.61	-43.58
CC(CC(=O)C1=CC=CO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004608034	0	37	-1.0	-54.76	322.80	3.35	-51.41
CC(CC(=O)C1=CC=CO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004608034	1	37	-1.0	-54.75	322.86	3.36	-51.39
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)O1	REAL250004608035	0	33	-1.0	-47.33	291.36	-2.73	-50.06
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)O1	REAL250004608035	1	33	-1.0	-47.33	291.42	-2.72	-50.05
CCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004608036	0	38	-1.0	-46.79	304.90	3.88	-42.91
CCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004608036	1	38	-1.0	-46.81	304.96	3.90	-42.91
CCC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608037	0	38	-1.0	-35.12	314.51	3.73	-31.39
CCC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608037	1	38	-1.0	-35.11	314.58	3.73	-31.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2COCC2=C1	REAL250004608038	0	34	-1.0	-48.31	288.97	2.66	-45.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2COCC2=C1	REAL250004608038	1	34	-1.0	-48.32	289.03	2.67	-45.65
CC(=O)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608039	0	38	-1.0	-49.00	312.59	4.48	-44.52
CC(=O)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608039	1	38	-1.0	-49.00	312.65	4.49	-44.51
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL250004608040	0	42	-1.0	-47.10	340.62	6.00	-41.10
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL250004608040	1	42	-1.0	-47.13	340.67	6.01	-41.12
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCOC1	REAL250004608041	0	36	-1.0	-53.72	292.49	3.38	-50.34
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCOC1	REAL250004608041	1	36	-1.0	-54.25	292.97	3.36	-50.89
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL250004608042	0	33	-1.0	-37.16	278.68	0.23	-36.93
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL250004608042	1	33	-1.0	-37.17	278.75	0.23	-36.94
CC(C)C(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608043	0	41	-1.0	-54.46	341.32	1.07	-53.39
CC(C)C(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608043	1	41	-1.0	-54.45	341.37	1.08	-53.37
CC(=O)N1CCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608044	0	42	-1.0	-61.82	337.97	3.82	-58.00
CC(=O)N1CCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608044	1	42	-1.0	-61.82	338.03	3.83	-57.99
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1=NOC=N1	REAL250004608045	0	35	-1.0	-51.85	292.20	-0.93	-52.78
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1=NOC=N1	REAL250004608045	1	35	-1.0	-51.89	292.26	-0.91	-52.80
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CS1	REAL250004608046	0	35	-1.0	-46.97	312.31	4.12	-42.85
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CS1	REAL250004608046	1	35	-1.0	-46.99	312.37	4.13	-42.86
O=C(CCCC1=N[N-]N=N1)NCCSCC(F)(F)F	REAL250004608047	0	32	-1.0	-50.53	304.29	3.00	-47.53
O=C(CCCC1=NN=N[N-]1)NCCSCC(F)(F)F	REAL250004608047	1	32	-1.0	-50.56	304.35	3.01	-47.55
O=C(CCCC1=N[N-]N=N1)N(CCCO)C1CC1	REAL250004608048	0	36	-1.0	-49.73	294.13	1.29	-48.44
O=C(CCCC1=NN=N[N-]1)N(CCCO)C1CC1	REAL250004608048	1	36	-1.0	-49.73	294.18	1.31	-48.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCCO)C1CC1	REAL250004608049	0	36	-1.0	-38.38	299.99	2.14	-36.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCCO)C1CC1	REAL250004608049	1	36	-1.0	-38.45	300.05	2.17	-36.28
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004608050	0	38	-1.0	-46.88	294.81	4.66	-42.22
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004608050	1	38	-1.0	-46.87	294.86	4.68	-42.19
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL250004608051	0	38	-1.0	-34.96	298.05	5.18	-29.78
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL250004608051	1	38	-1.0	-34.97	298.12	5.18	-29.79
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004608052	1	40	-1.0	-45.92	305.79	2.61	-43.31
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004608052	1	40	-1.0	-45.87	305.85	2.63	-43.24
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=NO1	REAL250004608053	0	34	-1.0	-48.53	290.08	2.88	-45.65
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=NO1	REAL250004608053	1	34	-1.0	-48.58	290.13	2.90	-45.68
CCC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=NO1	REAL250004608054	0	34	-1.0	-35.84	306.97	2.70	-33.14
CCC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=NO1	REAL250004608054	1	34	-1.0	-35.83	307.15	2.74	-33.09
C[C@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608055	0	29	-1.0	-48.74	263.48	3.86	-44.88
C[C@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608055	1	29	-1.0	-48.54	263.58	3.88	-44.66
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004608056	0	39	-1.0	-46.68	311.49	3.55	-43.13
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004608056	1	39	-1.0	-46.68	311.55	3.56	-43.12
CC(C)(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608057	0	36	-1.0	-45.22	299.12	2.29	-42.93
CC(C)(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608057	1	36	-1.0	-45.27	299.17	2.31	-42.96
CC(C)(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608058	0	36	-1.0	-38.04	309.71	2.08	-35.96
CC(C)(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608058	1	36	-1.0	-38.00	309.77	2.09	-35.91
CCN(CC(C)O)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608059	0	38	-1.0	-56.72	304.72	3.52	-53.20
CCN(CC(C)O)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608059	1	38	-1.0	-56.33	304.82	3.58	-52.75
CCN(CC(C)O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608060	0	35	-1.0	-38.08	294.04	1.75	-36.33
CCN(CC(C)O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608060	1	35	-1.0	-38.06	294.10	1.76	-36.30
O=C(CO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608061	0	37	-1.0	-58.21	302.98	0.40	-57.81
O=C(CO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608061	1	37	-1.0	-58.21	303.04	0.42	-57.79
CC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004608062	0	37	-1.0	-52.54	318.62	0.34	-52.20
CC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004608062	1	37	-1.0	-52.56	318.68	0.36	-52.20
CC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608063	0	36	-1.0	-50.87	287.24	1.00	-49.87
CC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608063	1	36	-1.0	-50.88	287.30	1.01	-49.87
CC1(O)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004608064	0	36	-1.0	-37.00	295.27	1.18	-35.82
CC1(O)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004608064	1	36	-1.0	-36.97	295.33	1.19	-35.78
COC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608065	0	36	-1.0	-48.10	289.26	2.60	-45.50
COC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608065	1	36	-1.0	-48.07	289.32	2.62	-45.45
COC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004608066	0	36	-1.0	-34.84	297.26	2.85	-31.99
COC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004608066	1	36	-1.0	-34.82	297.32	2.86	-31.96
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004608067	0	36	-1.0	-46.23	289.73	1.87	-44.36
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004608067	1	36	-1.0	-46.23	289.79	1.89	-44.34
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004608068	0	36	-1.0	-35.36	304.16	1.34	-34.02
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004608068	1	36	-1.0	-35.35	304.23	1.34	-34.01
CNC(=O)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608069	0	35	-1.0	-52.57	300.96	1.85	-50.72
CNC(=O)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608069	1	35	-1.0	-52.37	301.03	1.88	-50.49
CNC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608070	0	32	-1.0	-40.85	286.81	-1.25	-42.10
CNC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608070	1	32	-1.0	-40.81	286.87	-1.23	-42.04
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCC2)C1	REAL250004608071	0	37	-1.0	-46.66	293.72	3.08	-43.58
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCC2)C1	REAL250004608071	1	37	-1.0	-46.66	293.77	3.09	-43.57
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)CCC2C1	REAL250004608072	0	37	-1.0	-50.13	298.81	2.96	-47.17
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)CCC2C1	REAL250004608072	1	37	-1.0	-50.12	298.86	2.98	-47.14
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004608073	0	39	-1.0	-46.27	298.88	2.52	-43.75
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004608073	1	39	-1.0	-46.32	298.94	2.54	-43.78
CCC1=NOC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608074	0	34	-1.0	-49.12	291.61	2.77	-46.35
CCC1=NOC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608074	1	34	-1.0	-49.16	291.67	2.78	-46.38
CCC1=NOC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608075	0	34	-1.0	-36.06	295.43	2.61	-33.45
CCC1=NOC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608075	1	34	-1.0	-36.03	295.50	2.62	-33.41
CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004608076	0	39	-1.0	-49.15	325.87	4.39	-44.76
CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004608076	1	39	-1.0	-49.14	325.92	4.40	-44.74
COC1=CC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608077	0	33	-1.0	-49.64	287.40	2.84	-46.80
COC1=CC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608077	1	33	-1.0	-49.60	287.46	2.86	-46.74
CN(C[C@H](O)CO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608078	0	36	-1.0	-47.51	299.69	0.46	-47.05
CN(C[C@H](O)CO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608078	1	36	-1.0	-47.34	299.77	0.49	-46.85
CN(C[C@H](O)CO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608079	0	33	-1.0	-40.17	285.70	-2.03	-42.20
CN(C[C@H](O)CO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608079	1	33	-1.0	-40.16	285.77	-2.02	-42.18
CN(C)C(=O)NCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608080	0	40	-1.0	-56.35	330.23	1.81	-54.54
CN(C)C(=O)NCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608080	1	40	-1.0	-56.34	330.29	1.83	-54.51
CN1C=CN=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608081	0	39	-1.0	-53.60	321.90	4.58	-49.02
CN1C=CN=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608081	1	39	-1.0	-53.65	321.96	4.59	-49.06
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=NN1	REAL250004608082	0	32	-1.0	-47.79	292.36	1.46	-46.33
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=NN1	REAL250004608082	1	32	-1.0	-47.81	292.42	1.47	-46.34
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004608083	1	40	-1.0	-46.43	308.14	2.45	-43.98
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004608083	1	40	-1.0	-46.48	308.20	2.47	-44.01
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)OCCC2C1	REAL250004608084	0	38	-1.0	-50.82	305.02	2.54	-48.28
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)OCCC2C1	REAL250004608084	1	38	-1.0	-50.88	305.08	2.56	-48.32
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=N1	REAL250004608085	0	34	-1.0	-54.65	287.35	6.61	-48.04
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=N1	REAL250004608085	1	34	-1.0	-54.46	287.45	6.62	-47.84
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004608086	0	31	-1.0	-36.98	271.15	4.69	-32.29
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004608086	1	31	-1.0	-37.02	271.08	4.69	-32.33
C[C@H](O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608087	0	32	-1.0	-54.53	276.00	0.84	-53.69
C[C@H](O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608087	1	32	-1.0	-54.32	276.10	0.84	-53.48
CN1C=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004608088	0	31	-1.0	-52.00	276.71	1.77	-50.23
CN1C=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004608088	1	31	-1.0	-52.00	276.77	1.78	-50.22
CN1C=NC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004608089	0	34	-1.0	-57.23	301.04	4.70	-52.53
CN1C=NC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004608089	1	34	-1.0	-57.02	301.13	4.70	-52.32
CN1C=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004608090	0	31	-1.0	-41.70	287.31	1.56	-40.14
CN1C=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004608090	1	31	-1.0	-41.69	287.37	1.56	-40.13
CN1C=C(C(N)=O)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004608091	0	33	-1.0	-59.70	291.70	-0.75	-60.45
CN1C=C(C(N)=O)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004608091	1	33	-1.0	-59.67	291.64	-0.77	-60.44
N#CC1(NC(=O)CCCC2=N[N-]N=N2)CCSCC1	REAL250004608092	0	34	-1.0	-53.22	290.62	2.49	-50.73
N#CC1(NC(=O)CCCC2=NN=N[N-]2)CCSCC1	REAL250004608092	1	34	-1.0	-53.24	290.68	2.51	-50.73
COC(=O)CN(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004608093	0	39	-1.0	-53.27	326.24	0.29	-52.98
COC(=O)CN(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004608093	1	39	-1.0	-53.25	326.30	0.31	-52.94
CCOC1=CC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608094	0	39	-1.0	-50.71	327.21	5.50	-45.21
CCOC1=CC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608094	1	39	-1.0	-50.69	327.27	5.51	-45.18
CN(CC1CCCC1O)C(=O)CCCC1=N[N-]N=N1	REAL250004608095	0	39	-1.0	-52.93	309.22	1.71	-51.22
CN(CC1CCCC1O)C(=O)CCCC1=NN=N[N-]1	REAL250004608095	1	39	-1.0	-52.93	309.27	1.73	-51.20
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2)N=C1	REAL250004608096	0	35	-1.0	-48.93	307.86	4.04	-44.89
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2)N=C1	REAL250004608096	1	35	-1.0	-48.92	307.80	4.03	-44.89
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](O)CC1	REAL250004608097	0	36	-1.0	-49.17	292.51	-0.18	-49.35
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](O)CC1	REAL250004608097	1	36	-1.0	-49.19	292.57	-0.16	-49.35
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608098	0	36	-1.0	-36.81	303.10	-0.38	-37.19
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608098	1	36	-1.0	-36.83	303.17	-0.36	-37.19
O=C(CCCC1=N[N-]N=N1)N1CCC(OCCO)CC1	REAL250004608099	0	40	-1.0	-50.86	322.43	0.46	-50.40
O=C(CCCC1=NN=N[N-]1)N1CCC(OCCO)CC1	REAL250004608099	1	40	-1.0	-50.85	322.49	0.47	-50.38
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CC=CS1	REAL250004608100	0	31	-1.0	-46.44	289.56	2.49	-43.95
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CC=CS1	REAL250004608100	1	31	-1.0	-46.43	289.61	2.51	-43.92
CC(C)(CCO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608101	0	38	-1.0	-52.75	303.38	1.82	-50.93
CC(C)(CCO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608101	1	38	-1.0	-52.55	303.45	1.86	-50.69
CC(C)(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608102	0	35	-1.0	-36.99	289.23	-1.27	-38.26
CC(C)(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608102	1	35	-1.0	-37.02	289.29	-1.26	-38.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(O)=C1F	REAL250004608103	0	30	-1.0	-46.77	268.92	0.63	-46.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(O)=C1F	REAL250004608103	1	30	-1.0	-46.79	268.98	0.65	-46.14
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)N=CO1	REAL250004608104	0	31	-1.0	-49.16	274.23	-1.20	-50.36
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)N=CO1	REAL250004608104	1	31	-1.0	-49.18	274.29	-1.18	-50.36
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=CO1	REAL250004608105	0	34	-1.0	-53.99	298.59	1.70	-52.29
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=CO1	REAL250004608105	1	34	-1.0	-53.81	298.69	1.73	-52.08
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL250004608106	0	31	-1.0	-38.85	284.81	-1.40	-40.25
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=CO1	REAL250004608106	1	31	-1.0	-38.80	284.88	-1.40	-40.20
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCC1	REAL250004608107	0	36	-1.0	-50.82	294.29	0.07	-50.75
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCC1	REAL250004608107	1	36	-1.0	-50.87	294.35	0.08	-50.79
O=C(NC1(CCO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608108	0	36	-1.0	-38.04	304.89	-0.14	-38.18
O=C(NC1(CCO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608108	1	36	-1.0	-38.00	304.96	-0.14	-38.14
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004608109	0	35	-1.0	-51.37	301.27	3.74	-47.63
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004608109	1	35	-1.0	-51.39	301.32	3.76	-47.63
CC(C)CSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608110	0	41	-1.0	-46.28	347.17	4.72	-41.56
CC(C)CSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608110	1	41	-1.0	-46.30	347.23	4.74	-41.56
CCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608111	0	43	-1.0	-46.31	348.16	5.13	-41.18
CCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608111	1	43	-1.0	-46.32	348.22	5.14	-41.18
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004608112	0	44	-1.0	-46.27	330.69	4.92	-41.35
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004608112	1	44	-1.0	-46.29	330.74	4.93	-41.36
COC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608113	0	39	-1.0	-51.73	319.70	1.56	-50.17
COC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608113	1	39	-1.0	-51.74	319.76	1.57	-50.17
CC1=NNC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C12	REAL250004608114	0	35	-1.0	-52.79	301.48	2.59	-50.20
CC1=NNC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C12	REAL250004608114	1	35	-1.0	-52.78	301.54	2.60	-50.18
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004608115	0	38	-1.0	-48.45	311.48	5.27	-43.18
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004608115	1	38	-1.0	-48.47	311.53	5.28	-43.19
CN(CCC1=NC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004608116	0	34	-1.0	-53.02	303.47	3.49	-49.53
CN(CCC1=NC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004608116	1	34	-1.0	-53.01	303.52	3.50	-49.51
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCCC2	REAL250004608117	0	42	-1.0	-44.02	305.10	5.46	-38.56
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCCC2	REAL250004608117	1	42	-1.0	-44.04	305.15	5.47	-38.57
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(F)C=CC=C2C1	REAL250004608118	0	36	-1.0	-49.27	300.79	5.83	-43.44
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(F)C=CC=C2C1	REAL250004608118	1	36	-1.0	-49.26	300.85	5.84	-43.42
COC(=O)C(CC(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004608119	0	34	-1.0	-46.88	298.07	2.29	-44.59
COC(=O)C(CC(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004608119	1	34	-1.0	-46.91	298.13	2.30	-44.61
O=C(CCCC1=N[N-]N=N1)NNC1=NC=C(F)C=N1	REAL250004608120	0	29	-1.0	-46.96	268.45	2.77	-44.19
O=C(CCCC1=NN=N[N-]1)NNC1=NC=C(F)C=N1	REAL250004608120	1	29	-1.0	-47.00	268.51	2.79	-44.21
CC1OCCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608121	0	36	-1.0	-50.71	295.56	4.09	-46.62
CC1OCCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608121	1	36	-1.0	-50.55	295.66	4.09	-46.46
CC1OCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608122	0	33	-1.0	-35.53	282.90	0.85	-34.68
CC1OCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608122	1	33	-1.0	-35.52	282.97	0.85	-34.67
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004608123	0	39	-1.0	-47.39	302.81	1.93	-45.46
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004608123	1	39	-1.0	-47.37	302.87	1.95	-45.42
CC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004608124	0	38	-1.0	-46.80	303.78	3.68	-43.12
CC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004608124	1	38	-1.0	-46.82	303.84	3.69	-43.13
CC1(C)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004608125	0	38	-1.0	-34.91	314.35	3.46	-31.45
CC1(C)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004608125	1	38	-1.0	-34.93	314.42	3.47	-31.46
NC(=O)C1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608126	0	34	-1.0	-54.77	279.40	-0.93	-55.70
NC(=O)C1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608126	1	34	-1.0	-54.78	279.46	-0.91	-55.69
COC1=CC(F)=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608127	0	36	-1.0	-46.70	315.00	2.85	-43.85
COC1=CC(F)=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608127	1	36	-1.0	-46.70	315.06	2.86	-43.84
CNC(=O)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608128	0	38	-1.0	-55.96	318.38	1.68	-54.28
CNC(=O)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608128	1	38	-1.0	-55.96	318.44	1.69	-54.27
C#CCN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608129	0	37	-1.0	-52.04	315.05	8.02	-44.02
C#CCN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608129	1	37	-1.0	-50.67	315.00	8.05	-42.62
C#CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608130	0	34	-1.0	-36.42	302.40	6.18	-30.24
C#CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608130	1	34	-1.0	-36.39	302.46	6.18	-30.21
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2CC2)C1	REAL250004608131	0	39	-1.0	-55.76	314.06	7.32	-48.44
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2CC2)C1	REAL250004608131	1	39	-1.0	-55.57	314.15	7.33	-48.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CC2)C1	REAL250004608132	0	36	-1.0	-35.87	302.23	5.15	-30.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CC2)C1	REAL250004608132	1	36	-1.0	-35.84	302.29	5.16	-30.68
N#CC1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004608133	0	31	-1.0	-37.01	277.06	4.14	-32.87
N#CC1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004608133	1	31	-1.0	-37.02	277.13	4.16	-32.86
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC=N1	REAL250004608134	0	30	-1.0	-49.28	268.85	-1.09	-50.37
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC=N1	REAL250004608134	1	30	-1.0	-49.28	268.90	-1.08	-50.36
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=N1	REAL250004608135	0	30	-1.0	-39.65	279.45	-1.31	-40.96
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=N1	REAL250004608135	1	30	-1.0	-39.63	279.51	-1.29	-40.92
CCC(CC)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608136	0	41	-1.0	-49.21	314.35	0.44	-48.77
CCC(CC)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608136	1	41	-1.0	-49.19	314.41	0.45	-48.74
CCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608137	0	42	-1.0	-46.88	315.14	1.78	-45.10
CCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608137	1	42	-1.0	-46.89	315.19	1.80	-45.09
CNC(=O)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004608138	0	39	-1.0	-46.85	317.57	0.95	-45.90
CNC(=O)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004608138	1	39	-1.0	-46.87	317.62	0.96	-45.91
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608139	0	32	-1.0	-50.08	284.68	1.97	-48.11
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608139	1	32	-1.0	-50.10	284.73	1.99	-48.11
COC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004608140	0	32	-1.0	-37.90	295.28	1.77	-36.13
COC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004608140	1	32	-1.0	-37.86	295.34	1.78	-36.08
CN(C(=O)CCCC1=N[N-]N=N1)C1CCNC1=O	REAL250004608141	0	33	-1.0	-53.84	274.62	-0.00	-53.84
CN(C(=O)CCCC1=NN=N[N-]1)C1CCNC1=O	REAL250004608141	1	33	-1.0	-53.84	274.68	0.01	-53.83
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCNC1=O	REAL250004608142	0	33	-1.0	-43.25	282.37	0.40	-42.85
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCNC1=O	REAL250004608142	1	33	-1.0	-43.16	282.43	0.42	-42.74
CC1(F)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004608143	0	35	-1.0	-40.82	292.57	6.04	-34.78
CC1(F)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004608143	1	35	-1.0	-40.70	292.54	6.06	-34.64
CC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004608144	0	32	-1.0	-37.95	277.32	3.70	-34.25
CC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004608144	1	32	-1.0	-37.93	277.39	3.70	-34.23
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1CC(C)C	REAL250004608145	0	41	-1.0	-52.85	328.27	3.54	-49.31
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1CC(C)C	REAL250004608145	1	41	-1.0	-52.85	328.33	3.56	-49.29
CC1=CN=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004608146	0	37	-1.0	-50.07	311.24	2.93	-47.14
CC1=CN=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004608146	1	37	-1.0	-50.04	311.30	2.94	-47.10
CCC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608148	0	40	-1.0	-52.56	315.12	6.07	-46.49
CCC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608148	1	40	-1.0	-52.57	315.18	6.08	-46.49
CCC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608149	0	30	-1.0	-39.07	272.65	1.08	-37.99
CCC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608149	1	30	-1.0	-39.05	272.72	1.09	-37.96
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCOCC2)C1	REAL250004608150	0	43	-1.0	-48.56	336.24	4.22	-44.34
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCOCC2)C1	REAL250004608150	1	43	-1.0	-48.59	336.30	4.23	-44.36
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1O	REAL250004608151	0	36	-1.0	-53.07	295.24	2.49	-50.58
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1O	REAL250004608151	1	36	-1.0	-54.01	295.07	2.52	-51.49
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1O	REAL250004608152	0	33	-1.0	-37.49	279.84	0.48	-37.01
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1O	REAL250004608152	1	33	-1.0	-37.45	279.91	0.48	-36.97
CC(CNC(=O)CCCC1=N[N-]N=N1)S(N)(=O)=O	REAL250004608153	0	33	-1.0	-54.32	290.13	-3.42	-57.74
CC(CNC(=O)CCCC1=NN=N[N-]1)S(N)(=O)=O	REAL250004608153	1	33	-1.0	-54.30	290.19	-3.40	-57.70
CC1(CCCO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608154	0	42	-1.0	-48.92	326.59	2.14	-46.78
CC1(CCCO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608154	1	42	-1.0	-48.93	326.65	2.15	-46.78
CN1C(=O)CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004608155	0	31	-1.0	-55.77	280.71	0.47	-55.30
CN1C(=O)CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004608155	1	31	-1.0	-55.75	280.77	0.48	-55.27
CCN(CCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004608156	0	37	-1.0	-56.73	320.87	1.03	-55.70
CCN(CCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004608156	1	37	-1.0	-56.74	320.93	1.04	-55.70
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004608157	0	47	-1.0	-46.23	345.97	5.40	-40.83
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004608157	1	47	-1.0	-46.28	346.02	5.41	-40.87
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004608158	0	32	-1.0	-46.61	285.12	-0.90	-47.51
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004608158	1	32	-1.0	-46.60	285.18	-0.88	-47.48
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CN1C	REAL250004608160	1	40	-1.0	-46.51	308.63	2.69	-43.82
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CN1C	REAL250004608160	1	40	-1.0	-46.55	308.69	2.71	-43.84
COCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004608161	0	40	-1.0	-47.64	326.52	1.87	-45.77
COCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004608161	1	40	-1.0	-47.62	326.58	1.89	-45.73
CC1(NC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL250004608162	0	39	-1.0	-48.08	317.51	5.20	-42.88
CC1(NC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL250004608162	1	39	-1.0	-48.06	317.57	5.21	-42.85
C[C@@H](O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608163	0	32	-1.0	-51.83	275.71	0.86	-50.97
C[C@@H](O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608163	1	32	-1.0	-51.64	275.81	0.89	-50.75
COCC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004608164	0	33	-1.0	-54.10	287.78	-3.35	-57.45
COCC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004608164	1	33	-1.0	-54.14	287.83	-3.33	-57.47
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004608165	0	33	-1.0	-45.15	298.36	-3.55	-48.70
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004608165	1	33	-1.0	-45.10	298.43	-3.54	-48.64
CC(C)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004608166	0	38	-1.0	-51.89	300.88	5.97	-45.92
CC(C)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004608166	1	38	-1.0	-51.77	301.37	5.94	-45.83
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004608167	0	35	-1.0	-34.98	287.14	2.83	-32.15
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004608167	1	35	-1.0	-34.94	287.21	2.83	-32.11
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004608168	0	35	-1.0	-53.08	286.18	5.21	-47.87
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004608168	1	35	-1.0	-52.89	286.26	5.22	-47.67
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004608169	0	32	-1.0	-35.32	271.98	2.12	-33.20
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004608169	1	32	-1.0	-35.33	272.05	2.12	-33.21
CCCCCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004608170	0	41	-1.0	-48.84	331.00	2.60	-46.24
CCCCCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004608170	1	41	-1.0	-48.87	331.06	2.62	-46.25
C=CCN(CC(=O)OCC)C(=O)CCCC1=N[N-]N=N1	REAL250004608171	0	38	-1.0	-49.77	327.52	5.42	-44.35
C=CCN(CC(=O)OCC)C(=O)CCCC1=NN=N[N-]1	REAL250004608171	1	38	-1.0	-49.76	327.58	5.44	-44.32
CCN(CCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608172	0	35	-1.0	-38.52	296.16	1.70	-36.82
CCN(CCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608172	1	35	-1.0	-38.54	296.23	1.73	-36.81
CN(C(=O)CCCC1=N[N-]N=N1)C1(C(N)=O)CCCC1	REAL250004608173	0	39	-1.0	-56.06	305.66	1.06	-55.00
CN(C(=O)CCCC1=NN=N[N-]1)C1(C(N)=O)CCCC1	REAL250004608173	1	39	-1.0	-56.07	305.72	1.08	-54.99
COC[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608174	0	35	-1.0	-51.63	296.09	3.40	-48.23
COC[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608174	1	35	-1.0	-51.47	296.19	3.42	-48.05
COC[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608175	0	32	-1.0	-35.92	282.31	0.28	-35.64
COC[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608175	1	32	-1.0	-35.92	282.38	0.29	-35.63
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(F)=CC=C2C1	REAL250004608176	0	36	-1.0	-48.00	301.88	5.82	-42.18
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(F)=CC=C2C1	REAL250004608176	1	36	-1.0	-47.97	301.94	5.84	-42.13
C#CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004608177	0	37	-1.0	-47.89	317.38	5.49	-42.40
C#CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004608177	1	37	-1.0	-47.88	317.44	5.50	-42.38
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CC=C1	REAL250004608178	0	36	-1.0	-46.53	305.40	1.13	-45.40
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CC=C1	REAL250004608178	1	36	-1.0	-46.53	305.46	1.15	-45.38
O=C(NC(CO)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608179	0	30	-1.0	-38.53	268.62	-3.88	-42.41
O=C(NC(CO)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608179	1	30	-1.0	-38.49	268.69	-3.86	-42.35
CCOC(=O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004608180	0	35	-1.0	-46.32	305.81	-0.92	-47.24
CCOC(=O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004608180	1	35	-1.0	-46.32	305.87	-0.90	-47.22
CC(C)[C@@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608181	0	38	-1.0	-52.03	311.02	2.48	-49.55
CC(C)[C@@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608181	1	38	-1.0	-51.76	311.11	2.52	-49.24
CC(C)[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608182	0	35	-1.0	-36.32	297.87	-0.65	-36.97
CC(C)[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608182	1	35	-1.0	-36.29	297.94	-0.64	-36.93
CN(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL250004608183	0	31	-1.0	-56.16	275.08	1.25	-54.91
CN(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL250004608183	1	31	-1.0	-55.96	275.15	1.27	-54.69
O=C(NC1(CO)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608185	0	36	-1.0	-54.19	298.26	2.14	-52.05
O=C(NC1(CO)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608185	1	36	-1.0	-54.00	298.36	2.14	-51.86
O=C(NC1(CO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608186	0	33	-1.0	-37.45	284.75	-1.11	-38.56
O=C(NC1(CO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608186	1	33	-1.0	-37.41	284.82	-1.10	-38.51
O=C(CCCC1=N[N-]N=N1)N1CCSCC1CO	REAL250004608187	0	34	-1.0	-45.15	278.81	2.24	-42.91
O=C(CCCC1=NN=N[N-]1)N1CCSCC1CO	REAL250004608187	1	34	-1.0	-45.14	278.87	2.25	-42.89
O=C(CCCC1=NN=N[N-]1)NC1=NN=CN1C1=CC=CC=C1	REAL250004608188	0	35	-1.0	-58.10	308.76	8.37	-49.73
O=C(CCCC1=N[N-]N=N1)NC1=NN=CN1C1=CC=CC=C1	REAL250004608188	1	35	-1.0	-58.07	308.70	8.35	-49.72
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NNC=N1	REAL250004608189	0	31	-1.0	-50.69	273.82	1.24	-49.45
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NNC=N1	REAL250004608189	1	31	-1.0	-50.69	273.88	1.25	-49.44
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NNC=N1	REAL250004608190	0	34	-1.0	-56.49	298.20	4.18	-52.31
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NNC=N1	REAL250004608190	1	34	-1.0	-56.25	298.30	4.20	-52.05
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNC=N1	REAL250004608191	0	31	-1.0	-40.46	284.43	1.06	-39.40
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNC=N1	REAL250004608191	1	31	-1.0	-40.41	284.49	1.07	-39.34
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004608192	0	38	-1.0	-46.32	325.69	4.76	-41.56
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004608192	1	38	-1.0	-46.35	325.74	4.78	-41.57
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NNC=N1	REAL250004608193	0	35	-1.0	-51.90	302.46	5.05	-46.85
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NNC=N1	REAL250004608193	1	35	-1.0	-51.91	302.51	5.07	-46.84
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)O1	REAL250004608194	0	35	-1.0	-57.11	297.66	2.45	-54.66
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)O1	REAL250004608194	1	35	-1.0	-57.12	297.71	2.47	-54.65
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004608195	0	40	-1.0	-49.33	324.24	3.58	-45.75
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004608195	1	40	-1.0	-49.29	324.18	3.56	-45.73
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=C(C)ON=C1C	REAL250004608196	0	40	-1.0	-46.27	326.30	3.86	-42.41
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=C(C)ON=C1C	REAL250004608196	1	40	-1.0	-46.29	326.35	3.87	-42.42
CC(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004608197	0	34	-1.0	-55.84	295.54	-0.99	-56.83
CC(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004608197	1	34	-1.0	-55.82	295.60	-0.97	-56.79
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004608198	0	42	-1.0	-52.10	323.49	3.83	-48.27
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004608198	1	42	-1.0	-52.11	323.54	3.84	-48.27
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004608199	0	31	-1.0	-46.58	278.90	1.97	-44.61
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004608199	1	31	-1.0	-46.59	278.95	1.99	-44.60
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004608200	0	35	-1.0	-48.84	293.63	3.33	-45.51
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004608200	1	35	-1.0	-48.85	293.69	3.34	-45.51
CCC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608201	0	37	-1.0	-59.86	316.38	4.63	-55.23
CCC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608201	1	37	-1.0	-59.86	316.43	4.64	-55.22
O=C(CCCC1=NN=N[N-]1)NCCOC1=NC=CC=C1F	REAL250004608202	0	35	-1.0	-50.69	312.78	0.62	-50.07
O=C(CCCC1=N[N-]N=N1)NCCOC1=NC=CC=C1F	REAL250004608202	1	35	-1.0	-50.70	312.72	0.61	-50.09
CC(C)(CO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608203	0	38	-1.0	-52.22	310.66	2.38	-49.84
CC(C)(CO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608203	1	38	-1.0	-52.04	310.72	2.40	-49.64
CC(C)(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608204	0	35	-1.0	-36.29	296.50	-0.71	-37.00
CC(C)(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608204	1	35	-1.0	-36.26	296.57	-0.70	-36.96
CN(CCC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608205	0	38	-1.0	-40.95	312.65	7.43	-33.52
CN(CCC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608205	1	38	-1.0	-40.79	312.74	7.46	-33.33
CN(CCC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608206	0	35	-1.0	-35.61	298.07	5.31	-30.30
CN(CCC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608206	1	35	-1.0	-35.58	298.13	5.32	-30.26
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)CC1	REAL250004608207	0	36	-1.0	-47.42	288.37	0.92	-46.50
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)CC1	REAL250004608207	1	36	-1.0	-47.43	288.42	0.94	-46.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CO)CC1	REAL250004608208	0	36	-1.0	-36.91	296.05	1.17	-35.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CO)CC1	REAL250004608208	1	36	-1.0	-36.91	296.12	1.18	-35.73
CC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608209	0	32	-1.0	-53.17	274.21	0.98	-52.19
CC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608209	1	32	-1.0	-53.07	274.29	1.00	-52.07
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1=CC=CN=C1	REAL250004608210	0	38	-1.0	-48.72	320.61	1.52	-47.20
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1=CC=CN=C1	REAL250004608210	1	38	-1.0	-48.67	320.56	1.51	-47.16
C[C@@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608211	0	32	-1.0	-53.22	273.79	1.02	-52.20
C[C@@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608211	1	32	-1.0	-53.48	274.28	1.00	-52.48
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCO)C1	REAL250004608212	0	39	-1.0	-49.34	307.33	1.52	-47.82
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCO)C1	REAL250004608212	1	39	-1.0	-49.34	307.39	1.53	-47.81
CCC(CO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608213	1	44	-1.0	-46.51	332.69	0.53	-45.98
CCC(CO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608213	1	44	-1.0	-46.50	332.75	0.55	-45.95
CC1=NC(C(C)NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004608214	0	33	-1.0	-48.26	290.83	-0.34	-48.60
CC1=NC(C(C)NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004608214	1	33	-1.0	-48.25	290.89	-0.33	-48.58
CN(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004608215	0	39	-1.0	-49.27	328.73	3.13	-46.14
CN(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004608215	1	39	-1.0	-49.29	328.79	3.15	-46.14
CC(O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608216	0	39	-1.0	-48.99	302.78	1.77	-47.22
CC(O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608216	1	39	-1.0	-49.03	302.84	1.78	-47.25
CC1=NC=CN1CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608217	0	41	-1.0	-53.49	340.40	5.73	-47.76
CC1=NC=CN1CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608217	1	41	-1.0	-53.50	340.46	5.74	-47.76
CCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004608218	0	33	-1.0	-49.52	286.06	1.96	-47.56
CCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004608218	1	33	-1.0	-49.50	286.12	1.97	-47.53
CCC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004608219	0	33	-1.0	-36.04	296.64	1.75	-34.29
CCC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004608219	1	33	-1.0	-35.98	296.71	1.76	-34.22
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=CC=CC=C2N1	REAL250004608220	0	39	-1.0	-51.36	332.47	4.17	-47.19
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=CC=CC=C2N1	REAL250004608220	1	39	-1.0	-51.38	332.53	4.18	-47.20
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1F	REAL250004608221	0	35	-1.0	-52.41	307.33	4.47	-47.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1F	REAL250004608221	1	35	-1.0	-52.38	307.39	4.49	-47.89
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(F)C=C2C1	REAL250004608222	0	36	-1.0	-47.05	301.91	5.86	-41.19
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(F)C=C2C1	REAL250004608222	1	36	-1.0	-47.05	301.97	5.87	-41.18
CC1=CSC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608223	0	29	-1.0	-47.75	260.54	3.04	-44.71
CC1=CSC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608223	1	29	-1.0	-47.78	260.60	3.06	-44.72
CC1=CSC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608224	0	29	-1.0	-35.18	271.19	2.85	-32.33
CC1=CSC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608224	1	29	-1.0	-35.23	271.13	2.84	-32.39
O=C(CCCC1=NN=N[N-]1)NOCC1=CC=CN=C1	REAL250004608225	0	32	-1.0	-53.49	287.35	2.83	-50.66
O=C(CCCC1=N[N-]N=N1)NOCC1=CC=CN=C1	REAL250004608225	1	32	-1.0	-53.46	287.29	2.82	-50.64
O=C(NOCC1=CC=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608226	0	32	-1.0	-39.04	297.95	2.62	-36.42
O=C(NOCC1=CC=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608226	1	32	-1.0	-39.07	297.88	2.61	-36.46
CC1(CNC(=O)CCCC2=N[N-]N=N2)OCCO1	REAL250004608227	0	34	-1.0	-47.68	285.93	0.21	-47.47
CC1(CNC(=O)CCCC2=NN=N[N-]2)OCCO1	REAL250004608227	1	34	-1.0	-47.69	285.99	0.22	-47.47
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OCCO1	REAL250004608228	0	34	-1.0	-36.83	296.52	-0.01	-36.84
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OCCO1	REAL250004608228	1	34	-1.0	-36.78	296.59	-0.00	-36.78
CC1=CC=C(F)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608229	0	34	-1.0	-49.24	296.79	3.72	-45.52
CC1=CC=C(F)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608229	1	34	-1.0	-49.28	296.84	3.74	-45.54
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C(F)=C1	REAL250004608230	0	31	-1.0	-46.05	292.50	3.55	-42.50
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C(F)=C1	REAL250004608230	1	31	-1.0	-46.09	292.56	3.56	-42.53
COC1=CC(F)=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608231	0	35	-1.0	-46.79	305.80	2.35	-44.44
COC1=CC(F)=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608231	1	35	-1.0	-46.81	305.86	2.36	-44.45
CC1=CN=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608232	0	38	-1.0	-50.37	322.98	4.32	-46.05
CC1=CN=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608232	1	38	-1.0	-50.40	322.92	4.30	-46.10
CNC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608233	0	38	-1.0	-57.01	312.10	0.25	-56.76
CNC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608233	1	38	-1.0	-57.04	312.16	0.27	-56.77
O=C(CCCC1=N[N-]N=N1)NC1C2CCC3=CC=CC=C3C21	REAL250004608234	0	40	-1.0	-46.41	324.77	6.41	-40.00
O=C(CCCC1=NN=N[N-]1)NC1C2CCC3=CC=CC=C3C21	REAL250004608234	1	40	-1.0	-46.42	324.83	6.42	-40.00
O=C(CCCC1=N[N-]N=N1)NCC1(CC2=CC=CC=C2)CC1	REAL250004608235	0	42	-1.0	-48.50	348.88	6.30	-42.20
O=C(CCCC1=NN=N[N-]1)NCC1(CC2=CC=CC=C2)CC1	REAL250004608235	1	42	-1.0	-48.52	348.94	6.31	-42.21
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1=CC=CC=C1	REAL250004608236	0	36	-1.0	-47.07	308.97	3.52	-43.55
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1=CC=CC=C1	REAL250004608236	1	36	-1.0	-47.07	309.03	3.53	-43.54
O=C(CCCC1=N[N-]N=N1)NC1CCC(=O)NC1=O	REAL250004608237	0	32	-1.0	-56.38	278.89	-1.50	-57.88
O=C(CCCC1=NN=N[N-]1)NC1CCC(=O)NC1=O	REAL250004608237	1	32	-1.0	-56.40	278.94	-1.49	-57.89
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C1)OCCO2	REAL250004608238	0	38	-1.0	-49.68	303.26	2.46	-47.22
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)OCCO2	REAL250004608238	1	38	-1.0	-49.71	303.32	2.47	-47.24
CC1=CC(C)=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608239	0	34	-1.0	-53.46	292.37	4.31	-49.15
CC1=CC(C)=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608239	1	34	-1.0	-53.48	292.43	4.33	-49.15
CC1=CC(C)=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004608240	0	34	-1.0	-40.03	302.96	4.10	-35.93
CC1=CC(C)=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004608240	1	34	-1.0	-40.03	303.02	4.11	-35.92
CSC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608241	0	39	-1.0	-46.63	313.51	5.65	-40.98
CSC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608241	1	39	-1.0	-46.65	313.56	5.66	-40.99
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1F	REAL250004608242	0	31	-1.0	-49.63	275.38	3.06	-46.57
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1F	REAL250004608242	1	31	-1.0	-49.67	275.44	3.07	-46.60
O=C(NNC1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608243	0	31	-1.0	-36.04	285.97	2.83	-33.21
O=C(NNC1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608243	1	31	-1.0	-36.01	286.04	2.85	-33.16
CC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004608244	0	33	-1.0	-48.88	282.82	1.39	-47.49
CC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004608244	1	33	-1.0	-48.93	282.87	1.40	-47.53
CC1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608245	0	33	-1.0	-36.76	292.43	1.14	-35.62
CC1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608245	1	33	-1.0	-36.75	292.49	1.15	-35.60
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=C1	REAL250004608246	0	31	-1.0	-47.59	276.32	3.05	-44.54
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=C1	REAL250004608246	1	31	-1.0	-47.66	276.37	3.06	-44.60
O=C(NNC1=CC=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608247	0	31	-1.0	-34.74	286.91	2.83	-31.91
O=C(NNC1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608247	1	31	-1.0	-34.70	286.97	2.84	-31.86
N#CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004608248	0	32	-1.0	-48.65	290.67	3.38	-45.27
N#CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004608248	1	32	-1.0	-48.67	290.73	3.39	-45.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C(Cl)=C1	REAL250004608249	0	30	-1.0	-51.25	280.33	1.05	-50.20
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C(Cl)=C1	REAL250004608249	1	30	-1.0	-51.26	280.39	1.06	-50.20
O=C(CCCC1=N[N-]N=N1)NNC1=C(F)C=CC=C1F	REAL250004608250	0	31	-1.0	-49.02	282.23	3.24	-45.78
O=C(CCCC1=NN=N[N-]1)NNC1=C(F)C=CC=C1F	REAL250004608250	1	31	-1.0	-48.99	282.28	3.26	-45.73
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004608251	0	33	-1.0	-48.87	284.37	1.24	-47.63
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004608251	1	33	-1.0	-48.86	284.43	1.26	-47.60
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1O	REAL250004608252	0	33	-1.0	-37.09	294.98	1.03	-36.06
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1O	REAL250004608252	1	33	-1.0	-37.05	295.04	1.05	-36.00
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1F	REAL250004608253	0	31	-1.0	-48.50	281.80	3.13	-45.37
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1F	REAL250004608253	1	31	-1.0	-48.51	281.86	3.14	-45.37
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1Cl	REAL250004608254	0	31	-1.0	-48.73	284.29	3.53	-45.20
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1Cl	REAL250004608254	1	31	-1.0	-48.81	284.35	3.54	-45.27
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC([N+](=O)[O-])=C1	REAL250004608255	0	33	-1.0	-51.73	298.11	3.65	-48.08
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC([N+](=O)[O-])=C1	REAL250004608255	1	33	-1.0	-51.80	298.17	3.67	-48.13
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004608256	0	37	-1.0	-46.89	312.72	4.30	-42.59
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004608256	1	37	-1.0	-46.89	312.78	4.32	-42.57
CC1=CC=C(C)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608257	0	37	-1.0	-46.83	309.13	4.37	-42.46
CC1=CC=C(C)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608257	1	37	-1.0	-46.86	309.19	4.38	-42.48
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C([N+](=O)[O-])C=C1	REAL250004608258	0	33	-1.0	-49.37	298.10	3.65	-45.72
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C([N+](=O)[O-])C=C1	REAL250004608258	1	33	-1.0	-49.44	298.16	3.67	-45.77
CC1=CC(F)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004608259	0	34	-1.0	-46.59	294.15	3.77	-42.82
CC1=CC(F)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004608259	1	34	-1.0	-46.63	294.20	3.79	-42.84
CCCCN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004608260	0	41	-1.0	-52.88	338.17	4.01	-48.87
CCCCN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004608260	1	41	-1.0	-52.90	338.22	4.03	-48.87
CC1=NC=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004608261	0	34	-1.0	-50.23	307.29	2.20	-48.03
CC1=NC=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004608261	1	34	-1.0	-50.23	307.35	2.21	-48.02
N#CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004608262	0	39	-1.0	-47.06	331.26	5.42	-41.64
N#CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004608262	1	39	-1.0	-47.07	331.32	5.43	-41.64
CC1=NN(C)C=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004608263	0	38	-1.0	-52.66	324.11	2.59	-50.07
CC1=NN(C)C=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004608263	1	38	-1.0	-52.69	324.17	2.60	-50.09
CC1COCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608264	0	36	-1.0	-47.38	276.39	3.14	-44.24
CC1COCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608264	1	36	-1.0	-47.39	276.45	3.15	-44.24
CC1COCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608265	0	36	-1.0	-35.68	281.49	3.84	-31.84
CC1COCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608265	1	36	-1.0	-35.67	281.56	3.84	-31.83
NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004608266	0	33	-1.0	-54.76	279.01	-1.42	-56.18
NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004608266	1	33	-1.0	-54.74	279.07	-1.40	-56.14
NC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004608267	0	33	-1.0	-39.70	289.85	-1.62	-41.32
NC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004608267	1	33	-1.0	-39.61	289.92	-1.61	-41.22
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=N1	REAL250004608268	0	31	-1.0	-49.83	280.47	1.58	-48.25
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=N1	REAL250004608268	1	31	-1.0	-49.87	280.53	1.59	-48.28
O=C(NCC1=CC=CC(F)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608269	0	31	-1.0	-39.85	291.06	1.37	-38.48
O=C(NCC1=CC=CC(F)=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608269	1	31	-1.0	-39.78	291.13	1.37	-38.41
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004608270	0	42	-1.0	-47.62	353.46	6.81	-40.81
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004608270	1	42	-1.0	-47.63	353.51	6.83	-40.80
CCC(CC)C(CCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004608271	0	47	-1.0	-47.00	359.60	3.40	-43.60
CCC(CC)C(CCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004608271	1	47	-1.0	-46.96	359.66	3.42	-43.54
CC(C)(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004608272	0	41	-1.0	-45.80	321.57	1.42	-44.38
CC(C)(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004608272	1	41	-1.0	-45.82	321.63	1.44	-44.38
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CN=N2)CC1	REAL250004608273	0	38	-1.0	-52.52	310.55	3.09	-49.43
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CN=N2)CC1	REAL250004608273	1	38	-1.0	-52.49	310.49	3.08	-49.41
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1C	REAL250004608274	0	35	-1.0	-55.01	299.23	5.44	-49.57
CC1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1C	REAL250004608274	1	35	-1.0	-54.76	299.30	5.46	-49.30
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004608275	0	32	-1.0	-40.05	285.07	2.35	-37.70
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004608275	1	32	-1.0	-40.00	285.14	2.37	-37.63
CCNC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608276	0	41	-1.0	-56.46	333.58	1.09	-55.37
CCNC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608276	1	41	-1.0	-56.47	333.64	1.10	-55.37
CNC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004608277	0	38	-1.0	-46.25	307.94	0.37	-45.88
CNC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004608277	1	38	-1.0	-46.25	308.00	0.38	-45.87
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004608278	0	40	-1.0	-46.28	315.39	0.42	-45.86
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004608278	1	40	-1.0	-46.26	315.45	0.43	-45.83
O=C(CCCC1=N[N-]N=N1)N1CCOCC12CCC2	REAL250004608279	0	37	-1.0	-45.73	286.96	2.70	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCOCC12CCC2	REAL250004608279	1	37	-1.0	-45.74	287.02	2.72	-43.02
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004608280	0	40	-1.0	-45.13	328.12	3.45	-41.68
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004608280	1	40	-1.0	-45.17	328.18	3.47	-41.70
O=C(CCCC1=N[N-]N=N1)NCC1(CO)COC1	REAL250004608281	0	34	-1.0	-48.78	284.72	-1.78	-50.56
O=C(CCCC1=NN=N[N-]1)NCC1(CO)COC1	REAL250004608281	1	34	-1.0	-48.79	284.78	-1.76	-50.55
O=C(NCC1(CO)COC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608282	0	34	-1.0	-37.58	295.32	-1.99	-39.57
O=C(NCC1(CO)COC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608282	1	34	-1.0	-37.49	295.38	-1.98	-39.47
COC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004608283	0	39	-1.0	-46.57	313.87	2.15	-44.42
COC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004608283	1	39	-1.0	-46.59	313.94	2.17	-44.42
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCOCC1	REAL250004608284	0	40	-1.0	-48.37	309.98	-0.63	-49.00
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCOCC1	REAL250004608284	1	40	-1.0	-48.36	310.04	-0.62	-48.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC=C(O)C=C21	REAL250004608285	0	36	-1.0	-49.83	306.60	2.91	-46.92
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=C(O)C=C21	REAL250004608285	1	36	-1.0	-49.83	306.66	2.92	-46.91
CC(C)(O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608286	0	39	-1.0	-49.15	301.85	3.69	-45.46
CC(C)(O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608286	1	39	-1.0	-49.23	301.90	3.71	-45.52
O=C(NNC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608287	0	34	-1.0	-51.92	294.23	5.86	-46.06
O=C(NNC1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608287	1	34	-1.0	-51.79	294.72	5.84	-45.95
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608288	0	31	-1.0	-35.28	280.50	2.77	-32.51
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608288	1	31	-1.0	-35.24	280.56	2.77	-32.47
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1O	REAL250004608289	0	30	-1.0	-48.25	279.25	1.14	-47.11
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1O	REAL250004608289	1	30	-1.0	-48.26	279.30	1.16	-47.10
COC(=O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608290	0	38	-1.0	-49.48	313.68	4.20	-45.28
COC(=O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608290	1	38	-1.0	-49.45	313.74	4.21	-45.24
CCOC(=O)[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004608291	0	41	-1.0	-51.34	333.24	5.14	-46.20
CCOC(=O)[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004608291	1	41	-1.0	-51.39	333.30	5.16	-46.23
CC1OCCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004608292	0	36	-1.0	-47.03	284.17	2.58	-44.45
CC1OCCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004608292	1	36	-1.0	-47.04	284.23	2.60	-44.44
CC1OCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004608293	0	36	-1.0	-34.81	288.27	2.71	-32.10
CC1OCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004608293	1	36	-1.0	-34.79	288.34	2.72	-32.07
CC1=NOC(C)=C1C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004608294	0	40	-1.0	-51.22	327.88	3.43	-47.79
CC1=NOC(C)=C1C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004608294	1	40	-1.0	-51.24	327.94	3.44	-47.80
C=CCN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608295	0	39	-1.0	-52.90	321.55	8.06	-44.84
C=CCN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608295	1	39	-1.0	-51.31	322.12	8.08	-43.23
C=CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608296	0	36	-1.0	-35.93	308.90	6.28	-29.65
C=CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608296	1	36	-1.0	-35.89	308.97	6.29	-29.60
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NNC=C2C1	REAL250004608297	0	36	-1.0	-50.79	299.56	1.69	-49.10
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NNC=C2C1	REAL250004608297	1	36	-1.0	-50.83	299.62	1.70	-49.13
O=C(NCCN1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608298	0	37	-1.0	-53.78	306.37	1.85	-51.93
O=C(NCCN1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608298	1	37	-1.0	-54.04	306.27	1.83	-52.21
O=C(NCCN1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608299	0	34	-1.0	-35.49	292.49	-1.27	-36.76
O=C(NCCN1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608299	1	34	-1.0	-35.51	292.56	-1.27	-36.78
O=C(NCC1(C2CC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608300	0	39	-1.0	-52.41	316.95	7.15	-45.26
O=C(NCC1(C2CC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608300	1	39	-1.0	-52.25	317.43	7.14	-45.11
O=C(NCC1(C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608301	0	36	-1.0	-34.64	303.20	4.03	-30.61
O=C(NCC1(C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608301	1	36	-1.0	-34.61	303.26	4.03	-30.58
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2CC2)=CS1	REAL250004608302	0	35	-1.0	-47.24	314.72	2.68	-44.56
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2CC2)=CS1	REAL250004608302	1	35	-1.0	-47.26	314.78	2.70	-44.56
CN(OCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004608303	0	36	-1.0	-44.43	311.14	5.45	-38.98
CN(OCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004608303	1	36	-1.0	-44.39	311.20	5.46	-38.93
O=C(CCCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=NN1	REAL250004608304	0	29	-1.0	-48.87	273.17	1.73	-47.14
O=C(CCCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=NN1	REAL250004608304	1	29	-1.0	-48.86	273.23	1.74	-47.12
NC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004608305	0	32	-1.0	-51.81	285.05	-1.57	-53.38
NC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004608305	1	32	-1.0	-51.83	284.99	-1.58	-53.41
CC(CCO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608309	0	35	-1.0	-52.98	296.59	1.78	-51.20
CC(CCO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608309	1	35	-1.0	-52.81	296.67	1.80	-51.01
CC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608310	0	32	-1.0	-36.25	282.44	-1.32	-37.57
CC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608310	1	32	-1.0	-36.22	282.51	-1.29	-37.51
CN1N=CN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608311	0	31	-1.0	-59.86	275.23	7.32	-52.54
CN1N=CN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608311	1	31	-1.0	-59.66	275.72	7.30	-52.36
CN1N=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608312	0	28	-1.0	-39.09	261.56	4.19	-34.90
CN1N=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608312	1	28	-1.0	-39.13	261.49	4.19	-34.94
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(=O)N1	REAL250004608313	0	29	-1.0	-48.54	273.86	-0.80	-49.34
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(=O)N1	REAL250004608313	1	29	-1.0	-48.58	273.92	-0.78	-49.36
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004608314	0	28	-1.0	-46.85	259.80	1.32	-45.53
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004608314	1	28	-1.0	-46.93	259.85	1.33	-45.60
CC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004608315	0	28	-1.0	-35.48	270.36	1.11	-34.37
CC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004608315	1	28	-1.0	-35.46	270.42	1.12	-34.34
CC(O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004608316	0	39	-1.0	-48.24	312.26	1.71	-46.53
CC(O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004608316	1	39	-1.0	-48.21	312.32	1.73	-46.48
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004608317	0	36	-1.0	-45.46	294.44	2.38	-43.08
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004608317	1	36	-1.0	-45.45	294.50	2.40	-43.05
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004608318	0	36	-1.0	-35.80	305.03	2.19	-33.61
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004608318	1	36	-1.0	-35.75	305.10	2.19	-33.56
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1C	REAL250004608319	0	35	-1.0	-61.96	297.17	3.41	-58.55
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1C	REAL250004608319	1	35	-1.0	-61.94	297.22	3.43	-58.51
CC(C)(C)SCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608320	0	38	-1.0	-48.25	320.24	3.67	-44.58
CC(C)(C)SCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608320	1	38	-1.0	-48.27	320.30	3.68	-44.59
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCOC2)C1	REAL250004608321	0	40	-1.0	-49.16	320.00	3.53	-45.63
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCOC2)C1	REAL250004608321	1	40	-1.0	-49.16	320.05	3.55	-45.61
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C2C=CCC1CC2	REAL250004608322	0	37	-1.0	-54.83	296.22	7.15	-47.68
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C2C=CCC1CC2	REAL250004608322	1	37	-1.0	-54.62	296.31	7.16	-47.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2C=CCC1CC2	REAL250004608323	0	34	-1.0	-36.42	282.16	4.99	-31.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2C=CCC1CC2	REAL250004608323	1	34	-1.0	-36.42	282.23	4.99	-31.43
O=C(CCCC1=N[N-]N=N1)NCC1(C2CC2)CCC1	REAL250004608324	0	39	-1.0	-46.14	307.45	4.73	-41.41
O=C(CCCC1=NN=N[N-]1)NCC1(C2CC2)CCC1	REAL250004608324	1	39	-1.0	-46.17	307.50	4.75	-41.42
O=C(NCC1(C2CC2)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608325	0	39	-1.0	-34.67	318.04	4.52	-30.15
O=C(NCC1(C2CC2)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608325	1	39	-1.0	-34.67	318.11	4.54	-30.13
CC(C)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608326	0	40	-1.0	-53.59	323.98	6.43	-47.16
CC(C)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004608326	1	40	-1.0	-53.37	323.99	6.47	-46.90
CC(C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004608327	0	37	-1.0	-35.42	309.72	3.32	-32.10
CC(C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608327	1	37	-1.0	-35.38	309.79	3.34	-32.04
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004608328	0	42	-1.0	-48.88	329.26	5.63	-43.25
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004608328	1	42	-1.0	-48.86	329.32	5.64	-43.22
COC1=CC(C)=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004608329	0	39	-1.0	-47.59	330.00	3.43	-44.16
COC1=CC(C)=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004608329	1	39	-1.0	-47.61	330.05	3.45	-44.16
O=C(C1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608330	0	40	-1.0	-38.70	315.45	6.33	-32.37
O=C(C1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608330	1	40	-1.0	-38.68	315.50	6.36	-32.32
O=C(CCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608331	0	36	-1.0	-45.16	306.32	5.35	-39.81
O=C(CCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608331	1	36	-1.0	-45.18	306.38	5.38	-39.80
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004608332	0	32	-1.0	-43.93	267.61	3.09	-40.84
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004608332	1	32	-1.0	-43.92	267.67	3.12	-40.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1	REAL250004608333	0	40	-1.0	-48.19	318.41	6.28	-41.91
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1	REAL250004608333	1	40	-1.0	-48.18	318.47	6.30	-41.88
O=C(C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608334	0	33	-1.0	-43.98	276.35	4.49	-39.49
O=C(C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608334	1	33	-1.0	-43.97	276.41	4.52	-39.45
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608335	0	36	-1.0	-46.33	291.94	5.11	-41.22
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608335	1	36	-1.0	-46.33	292.00	5.14	-41.19
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608336	0	32	-1.0	-45.94	281.51	3.27	-42.67
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608336	1	32	-1.0	-45.94	281.57	3.29	-42.65
O=C(C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608337	0	33	-1.0	-47.91	286.42	4.95	-42.96
O=C(C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608337	1	33	-1.0	-47.94	286.48	4.98	-42.96
O=C(C1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608338	0	32	-1.0	-41.58	264.88	3.50	-38.08
O=C(C1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608338	1	32	-1.0	-41.57	264.83	3.47	-38.10
CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608339	0	37	-1.0	-46.27	308.03	4.95	-41.32
CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608339	1	37	-1.0	-46.29	308.08	4.97	-41.32
O=C(C1CC2C=CC1C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608340	0	38	-1.0	-47.65	288.42	5.08	-42.57
O=C(C1CC2C=CC1C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608340	1	38	-1.0	-47.67	288.48	5.10	-42.57
CC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608341	0	39	-1.0	-47.29	311.47	5.94	-41.35
CC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608341	1	39	-1.0	-47.28	311.53	5.97	-41.31
O=C(C1=COCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608342	0	33	-1.0	-40.11	269.60	1.48	-38.63
O=C(C1=COCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608342	1	33	-1.0	-40.07	269.65	1.50	-38.57
O=C(C1=CNC(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608343	0	33	-1.0	-47.15	279.85	1.53	-45.62
O=C(C1=CNC(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608343	1	33	-1.0	-47.16	279.91	1.55	-45.61
O=C(CN1C=CC=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608344	0	36	-1.0	-57.48	298.84	4.01	-53.47
O=C(CN1C=CC=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608344	1	36	-1.0	-57.49	298.90	4.03	-53.46
CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608345	0	40	-1.0	-38.28	324.87	6.60	-31.68
CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608345	1	40	-1.0	-38.33	324.93	6.63	-31.70
O=C(C1=CC=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608346	0	32	-1.0	-39.11	280.48	3.11	-36.00
O=C(C1=CC=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608346	1	32	-1.0	-39.12	280.42	3.08	-36.04
O=C(C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608347	0	33	-1.0	-46.24	270.53	4.45	-41.79
O=C(C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608347	1	33	-1.0	-46.26	270.59	4.47	-41.79
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004608348	0	42	-1.0	-45.47	329.53	6.70	-38.77
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004608348	1	42	-1.0	-45.45	329.59	6.73	-38.72
O=C(CC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608349	0	36	-1.0	-48.60	300.12	5.48	-43.12
O=C(CC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608349	1	36	-1.0	-48.62	300.18	5.50	-43.12
O=C(CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608350	0	39	-1.0	-45.61	316.06	6.24	-39.37
O=C(CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608350	1	39	-1.0	-45.65	316.12	6.27	-39.38
O=C(C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608351	0	39	-1.0	-45.87	295.51	4.86	-41.01
O=C(C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608351	1	39	-1.0	-45.86	295.57	4.89	-40.97
CC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608352	0	36	-1.0	-56.80	295.50	0.78	-56.02
CC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608352	1	36	-1.0	-56.78	295.55	0.80	-55.98
CC(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608353	0	38	-1.0	-46.14	295.25	4.52	-41.62
CC(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608353	1	38	-1.0	-46.11	295.31	4.55	-41.56
CC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004608354	0	42	-1.0	-43.33	315.17	1.76	-41.57
CC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004608354	1	42	-1.0	-43.33	315.23	1.78	-41.55
O=C(C1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608355	0	34	-1.0	-50.19	267.36	2.81	-47.38
O=C(C1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608355	1	34	-1.0	-50.19	267.42	2.84	-47.35
O=C(CN1C(=O)CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608356	0	35	-1.0	-54.83	295.07	-0.07	-54.90
O=C(CN1C(=O)CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608356	1	35	-1.0	-54.89	295.13	-0.04	-54.93
O=C(C1=CC=C(CO)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608357	0	37	-1.0	-47.23	303.31	1.77	-45.46
O=C(C1=CC=C(CO)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608357	1	37	-1.0	-47.23	303.37	1.80	-45.43
CC1=CC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608358	0	40	-1.0	-38.45	321.04	6.46	-31.99
CC1=CC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608358	1	40	-1.0	-38.45	321.10	6.48	-31.97
CC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608359	0	40	-1.0	-38.17	324.90	6.60	-31.57
CC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608359	1	40	-1.0	-38.23	324.96	6.62	-31.61
O=C(CN1C(=O)CCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608360	0	36	-1.0	-54.32	300.41	2.46	-51.86
O=C(CN1C(=O)CCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608360	1	36	-1.0	-54.30	300.47	2.49	-51.81
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C	REAL250004608361	0	40	-1.0	-42.18	315.67	5.10	-37.08
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C	REAL250004608361	1	40	-1.0	-42.17	315.73	5.13	-37.04
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL250004608362	0	42	-1.0	-47.92	333.09	6.64	-41.28
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL250004608362	1	42	-1.0	-47.91	333.15	6.66	-41.25
CC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004608363	0	35	-1.0	-51.68	300.11	3.31	-48.37
CC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004608363	1	35	-1.0	-51.66	300.16	3.33	-48.33
CSCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608364	0	33	-1.0	-44.22	279.42	3.71	-40.51
CSCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608364	1	33	-1.0	-44.25	279.48	3.73	-40.52
CC(C)(C)SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608365	0	39	-1.0	-47.77	314.08	4.95	-42.82
CC(C)(C)SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608365	1	39	-1.0	-47.74	314.14	4.97	-42.77
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL250004608366	0	35	-1.0	-43.73	290.36	2.04	-41.69
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL250004608366	1	35	-1.0	-43.71	290.42	2.07	-41.64
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608367	0	33	-1.0	-51.88	277.63	3.06	-48.82
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608367	1	33	-1.0	-51.91	277.69	3.08	-48.83
O=C(CCC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608368	0	45	-1.0	-45.98	336.85	6.41	-39.57
O=C(CCC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608368	1	45	-1.0	-46.03	336.90	6.43	-39.60
O=C(C1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608369	0	30	-1.0	-36.39	277.25	4.07	-32.32
O=C(C1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608369	1	30	-1.0	-36.37	277.31	4.09	-32.28
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608370	0	42	-1.0	-45.42	330.66	6.36	-39.06
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608370	1	42	-1.0	-45.40	330.71	6.38	-39.02
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608371	0	33	-1.0	-39.21	272.97	3.46	-35.75
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608371	1	33	-1.0	-39.15	273.03	3.49	-35.66
N#CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608372	0	34	-1.0	-46.26	290.80	4.81	-41.45
N#CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608372	1	34	-1.0	-46.28	290.85	4.83	-41.45
O=C(CC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608373	0	36	-1.0	-48.41	301.08	5.50	-42.91
O=C(CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608373	1	36	-1.0	-48.45	301.14	5.53	-42.92
O=C(CC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608374	0	42	-1.0	-46.34	314.51	5.72	-40.62
O=C(CC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608374	1	42	-1.0	-46.33	314.57	5.75	-40.58
CC(=O)NC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608375	0	36	-1.0	-41.59	291.38	0.71	-40.88
CC(=O)NC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608375	1	36	-1.0	-41.58	291.44	0.74	-40.84
CC(NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608376	0	35	-1.0	-44.80	284.71	-2.04	-46.84
CC(NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608376	1	35	-1.0	-44.79	284.77	-2.01	-46.80
O=C(C1=CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608377	0	36	-1.0	-41.86	298.26	5.05	-36.81
O=C(C1=CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608377	1	36	-1.0	-41.86	298.32	5.08	-36.78
O=C(C1=NNC(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608378	0	32	-1.0	-40.29	272.35	0.24	-40.05
O=C(C1=NNC(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608378	1	32	-1.0	-40.31	272.41	0.27	-40.04
O=C(CC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608379	0	36	-1.0	-47.83	301.07	5.50	-42.33
O=C(CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608379	1	36	-1.0	-47.84	301.13	5.53	-42.31
CC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608380	0	34	-1.0	-44.70	279.39	3.15	-41.55
CC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608380	1	34	-1.0	-44.72	279.45	3.17	-41.55
O=C(C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608381	0	30	-1.0	-37.37	259.37	3.37	-34.00
O=C(C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608381	1	30	-1.0	-37.33	259.43	3.40	-33.93
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608382	0	34	-1.0	-46.08	280.75	2.26	-43.82
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608382	1	34	-1.0	-46.10	280.81	2.28	-43.82
O=C(C1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608383	0	33	-1.0	-37.23	282.69	4.56	-32.67
O=C(C1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608383	1	33	-1.0	-37.24	282.74	4.58	-32.66
O=C(CC1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608384	0	33	-1.0	-46.99	284.65	4.38	-42.61
O=C(CC1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608384	1	33	-1.0	-46.96	284.71	4.41	-42.55
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608385	0	36	-1.0	-45.93	291.90	5.12	-40.81
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608385	1	36	-1.0	-45.95	291.96	5.14	-40.81
O=C(COC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608386	0	37	-1.0	-50.50	303.62	5.36	-45.14
O=C(COC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608386	1	37	-1.0	-50.49	303.68	5.39	-45.10
COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608387	0	37	-1.0	-41.34	299.51	3.98	-37.36
COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608387	1	37	-1.0	-41.38	299.56	4.00	-37.38
CC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608388	0	33	-1.0	-44.78	273.34	0.11	-44.67
CC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608388	1	33	-1.0	-44.83	273.40	0.14	-44.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL250004608389	0	33	-1.0	-37.86	279.01	4.11	-33.75
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL250004608389	1	33	-1.0	-37.86	279.06	4.13	-33.73
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608390	0	33	-1.0	-37.73	281.17	4.17	-33.56
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608390	1	33	-1.0	-37.70	281.23	4.19	-33.51
O=C(C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608391	0	33	-1.0	-43.75	286.65	4.93	-38.82
O=C(C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608391	1	33	-1.0	-43.77	286.71	4.96	-38.81
O=C(C=CC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608392	0	34	-1.0	-40.17	286.11	4.11	-36.06
O=C(C=CC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608392	1	34	-1.0	-40.18	286.17	4.14	-36.04
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608393	0	37	-1.0	-46.14	299.93	3.74	-42.40
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608393	1	37	-1.0	-46.18	299.99	3.77	-42.41
O=C(C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608394	0	33	-1.0	-50.29	277.78	4.54	-45.75
O=C(C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608394	1	33	-1.0	-50.27	277.84	4.56	-45.71
O=C(C1CCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608395	0	34	-1.0	-53.63	275.68	0.24	-53.39
O=C(C1CCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608395	1	34	-1.0	-53.63	275.74	0.26	-53.37
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608396	0	39	-1.0	-45.70	313.37	5.88	-39.82
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608396	1	39	-1.0	-45.66	313.43	5.91	-39.75
O=C(C1=NNC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608397	0	36	-1.0	-42.69	295.77	3.68	-39.01
O=C(C1=NNC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608397	1	36	-1.0	-42.67	295.83	3.70	-38.97
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608398	0	37	-1.0	-45.84	299.41	3.72	-42.12
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608398	1	37	-1.0	-45.84	299.46	3.75	-42.09
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608399	0	33	-1.0	-53.91	277.68	2.96	-50.95
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608399	1	33	-1.0	-53.94	277.73	2.99	-50.95
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL250004608400	0	39	-1.0	-45.44	311.74	5.74	-39.70
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL250004608400	1	39	-1.0	-45.42	311.80	5.76	-39.66
O=C(C1=CC=C(Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608401	0	32	-1.0	-44.83	281.64	3.10	-41.73
O=C(C1=CC=C(Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608401	1	32	-1.0	-44.80	281.58	3.07	-41.73
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608402	0	34	-1.0	-46.12	291.34	4.84	-41.28
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608402	1	34	-1.0	-46.16	291.39	4.86	-41.30
CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608403	0	36	-1.0	-45.73	288.06	5.07	-40.66
CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608403	1	36	-1.0	-45.72	288.11	5.09	-40.63
CC1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608404	0	39	-1.0	-45.33	309.45	5.72	-39.61
CC1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608404	1	39	-1.0	-45.33	309.51	5.75	-39.58
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL250004608405	0	39	-1.0	-46.17	312.69	5.74	-40.43
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL250004608405	1	39	-1.0	-46.14	312.75	5.76	-40.38
O=C(CCC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608406	0	42	-1.0	-46.25	320.36	5.84	-40.41
O=C(CCC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608406	1	42	-1.0	-46.22	320.42	5.86	-40.36
O=C(C1=CC=CC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608407	0	32	-1.0	-44.56	281.77	3.91	-40.65
O=C(C1=CC=CC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608407	1	32	-1.0	-44.55	281.71	3.88	-40.67
O=C(C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608408	0	32	-1.0	-44.85	265.43	2.69	-42.16
O=C(C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608408	1	32	-1.0	-44.82	265.37	2.67	-42.15
O=C(C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608409	0	33	-1.0	-43.98	276.91	4.51	-39.47
O=C(C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608409	1	33	-1.0	-43.97	276.97	4.53	-39.44
O=C(C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608410	0	33	-1.0	-43.78	287.22	4.96	-38.82
O=C(C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608410	1	33	-1.0	-43.80	287.28	4.99	-38.81
O=C(C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608411	0	32	-1.0	-46.92	264.81	2.69	-44.23
O=C(C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608411	1	32	-1.0	-46.86	264.75	2.66	-44.20
O=C(CC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608412	0	33	-1.0	-47.08	284.90	4.55	-42.53
O=C(CC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608412	1	33	-1.0	-47.09	284.95	4.57	-42.52
CC1=NOC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608413	0	38	-1.0	-51.18	311.95	4.22	-46.96
CC1=NOC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608413	1	38	-1.0	-51.10	312.00	4.24	-46.86
O=C(C1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608414	0	33	-1.0	-42.33	283.16	4.56	-37.77
O=C(C1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608414	1	33	-1.0	-42.32	283.22	4.59	-37.73
O=C(C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608415	0	37	-1.0	-47.47	286.39	2.46	-45.01
O=C(C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608415	1	37	-1.0	-47.49	286.44	2.49	-45.00
O=C(CCC1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608416	0	36	-1.0	-45.15	306.08	5.19	-39.96
O=C(CCC1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608416	1	36	-1.0	-45.14	306.14	5.21	-39.93
O=C(CC1C=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608417	0	37	-1.0	-47.05	290.01	4.99	-42.06
O=C(CC1C=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608417	1	37	-1.0	-47.05	290.06	5.02	-42.03
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL250004608418	0	36	-1.0	-45.05	301.91	4.95	-40.10
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL250004608418	1	36	-1.0	-45.06	301.97	4.98	-40.08
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL250004608419	0	33	-1.0	-45.66	273.59	3.33	-42.33
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL250004608419	1	33	-1.0	-45.64	273.64	3.35	-42.29
NC(=O)NCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608420	0	41	-1.0	-56.50	331.38	-0.44	-56.94
NC(=O)NCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608420	1	41	-1.0	-56.47	331.43	-0.41	-56.88
O=C(C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608421	0	30	-1.0	-45.93	260.29	3.38	-42.55
O=C(C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608421	1	30	-1.0	-45.92	260.35	3.41	-42.51
O=C(C1=CC(F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608422	0	33	-1.0	-46.88	283.11	4.57	-42.31
O=C(C1=CC(F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608422	1	33	-1.0	-46.87	283.17	4.60	-42.27
O=C(CCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608423	0	38	-1.0	-46.89	310.98	4.50	-42.39
O=C(CCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608423	1	38	-1.0	-46.94	310.93	4.48	-42.46
CC(C)(C)C(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608424	0	42	-1.0	-43.91	332.09	2.16	-41.75
CC(C)(C)C(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608424	1	42	-1.0	-43.87	332.15	2.18	-41.69
O=C(C1=CC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608425	0	37	-1.0	-45.21	300.86	4.90	-40.31
O=C(C1=CC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608425	1	37	-1.0	-45.21	300.92	4.92	-40.29
O=C(CN1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608426	0	37	-1.0	-54.41	299.67	3.08	-51.33
O=C(CN1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608426	1	37	-1.0	-54.39	299.73	3.10	-51.29
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608427	0	39	-1.0	-47.62	316.07	6.11	-41.51
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608427	1	39	-1.0	-47.61	316.13	6.14	-41.47
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SN=N1	REAL250004608428	0	34	-1.0	-36.59	290.10	2.36	-34.23
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SN=N1	REAL250004608428	1	34	-1.0	-36.62	290.16	2.38	-34.24
O=C(C1=CN2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608429	0	36	-1.0	-49.06	297.64	5.80	-43.26
O=C(C1=CN2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608429	1	36	-1.0	-49.04	297.58	5.78	-43.26
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL250004608430	0	36	-1.0	-46.79	297.16	5.15	-41.64
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL250004608430	1	36	-1.0	-46.85	297.21	5.17	-41.68
O=C(CN1CCSC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608431	0	35	-1.0	-55.23	298.58	2.76	-52.47
O=C(CN1CCSC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608431	1	35	-1.0	-55.23	298.63	2.79	-52.44
CC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608432	0	37	-1.0	-56.64	300.88	3.93	-52.71
CC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608432	1	37	-1.0	-56.62	300.94	3.96	-52.66
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004608433	0	36	-1.0	-48.79	303.45	2.32	-46.47
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004608433	1	36	-1.0	-48.77	303.51	2.34	-46.43
CC1=NNC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608434	0	39	-1.0	-51.02	315.08	3.00	-48.02
CC1=NNC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608434	1	39	-1.0	-51.04	315.02	2.97	-48.07
CC1=NSC(N)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608435	0	34	-1.0	-43.64	294.09	0.77	-42.87
CC1=NSC(N)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608435	1	34	-1.0	-43.67	294.15	0.80	-42.87
O=C(CN1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608436	0	31	-1.0	-61.47	263.55	1.99	-59.48
O=C(CN1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608436	1	31	-1.0	-61.47	263.50	1.96	-59.51
O=C(C1CCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608437	0	36	-1.0	-53.59	296.92	0.27	-53.32
O=C(C1CCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608437	1	36	-1.0	-53.61	296.98	0.29	-53.32
CC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608438	0	32	-1.0	-40.59	267.91	2.64	-37.95
CC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608438	1	32	-1.0	-40.59	267.96	2.67	-37.92
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608439	0	36	-1.0	-37.61	302.57	4.96	-32.65
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608439	1	36	-1.0	-37.62	302.63	4.98	-32.64
O=C(C1CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608440	0	38	-1.0	-50.87	305.81	5.49	-45.38
O=C(C1CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608440	1	38	-1.0	-50.84	305.87	5.52	-45.32
CC1=NOC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608441	0	35	-1.0	-42.88	294.04	3.59	-39.29
CC1=NOC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608441	1	35	-1.0	-42.86	294.09	3.61	-39.25
CCC1=NOC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608442	0	38	-1.0	-43.02	315.46	4.31	-38.71
CCC1=NOC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608442	1	38	-1.0	-43.05	315.52	4.34	-38.71
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608443	0	33	-1.0	-46.72	272.55	2.17	-44.55
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608443	1	33	-1.0	-46.69	272.49	2.15	-44.54
NC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608444	0	35	-1.0	-57.10	288.42	-2.01	-59.11
NC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608444	1	35	-1.0	-57.11	288.47	-1.98	-59.09
O=C(CN1CSCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608445	0	35	-1.0	-53.24	299.00	2.78	-50.46
O=C(CN1CSCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608445	1	35	-1.0	-53.19	299.06	2.81	-50.38
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SN=N1	REAL250004608446	0	31	-1.0	-41.28	269.75	1.64	-39.64
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SN=N1	REAL250004608446	1	31	-1.0	-41.28	269.80	1.67	-39.61
CN1C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608447	0	37	-1.0	-43.58	307.17	3.78	-39.80
CN1C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608447	1	37	-1.0	-43.60	307.22	3.80	-39.80
O=C(C1=CC=NC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608448	0	32	-1.0	-45.09	282.28	3.14	-41.95
O=C(C1=CC=NC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608448	1	32	-1.0	-45.08	282.22	3.11	-41.97
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608449	0	36	-1.0	-45.18	296.93	1.19	-43.99
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608449	1	36	-1.0	-45.20	296.87	1.17	-44.03
O=C(C1=CC2=NNN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608450	0	35	-1.0	-47.55	288.56	1.65	-45.90
O=C(C1=CC2=NNN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608450	1	35	-1.0	-47.58	288.62	1.67	-45.91
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C	REAL250004608451	0	37	-1.0	-46.16	291.11	4.31	-41.85
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C	REAL250004608451	1	37	-1.0	-46.17	291.16	4.33	-41.84
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL250004608452	0	33	-1.0	-45.20	269.54	3.45	-41.75
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL250004608452	1	33	-1.0	-45.24	269.60	3.47	-41.77
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004608453	0	37	-1.0	-40.52	300.77	2.11	-38.41
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004608453	1	37	-1.0	-40.53	300.82	2.14	-38.39
O=C(C1CC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608454	0	37	-1.0	-35.94	286.72	4.75	-31.19
O=C(C1CC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608454	1	37	-1.0	-35.91	286.78	4.77	-31.14
O=C(CCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608455	0	36	-1.0	-46.09	296.82	4.36	-41.73
O=C(CCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608455	1	36	-1.0	-46.08	296.88	4.38	-41.70
O=C(C1=CC(Cl)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608456	0	31	-1.0	-46.74	271.18	3.27	-43.47
O=C(C1=CC(Cl)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608456	1	31	-1.0	-46.75	271.24	3.29	-43.46
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608457	0	33	-1.0	-50.59	284.28	3.50	-47.09
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608457	1	33	-1.0	-50.53	284.33	3.53	-47.00
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004608458	0	37	-1.0	-42.34	291.39	3.94	-38.40
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004608458	1	37	-1.0	-42.33	291.45	3.96	-38.37
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004608459	0	39	-1.0	-45.85	318.74	4.88	-40.97
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004608459	1	39	-1.0	-45.84	318.80	4.90	-40.94
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL250004608460	0	39	-1.0	-45.82	307.20	5.60	-40.22
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL250004608460	1	39	-1.0	-45.79	307.26	5.63	-40.16
O=C(C1=CN=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608461	0	31	-1.0	-46.67	259.17	1.67	-45.00
O=C(C1=CN=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608461	1	31	-1.0	-46.67	259.11	1.65	-45.02
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL250004608462	0	39	-1.0	-46.35	308.86	5.64	-40.71
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL250004608462	1	39	-1.0	-46.38	308.91	5.67	-40.71
O=C(CC1CC2CCC1C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608463	0	43	-1.0	-46.93	320.22	6.07	-40.86
O=C(CC1CC2CCC1C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608463	1	43	-1.0	-46.97	320.28	6.09	-40.88
CC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608464	0	42	-1.0	-45.67	337.50	6.93	-38.74
CC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608464	1	42	-1.0	-45.67	337.56	6.95	-38.72
COCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608465	0	37	-1.0	-44.62	306.73	2.54	-42.08
COCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608465	1	37	-1.0	-44.62	306.79	2.57	-42.05
CN1C=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608466	0	34	-1.0	-43.74	288.99	4.37	-39.37
CN1C=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608466	1	34	-1.0	-43.75	289.05	4.40	-39.35
O=C(CN1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608467	0	33	-1.0	-54.99	274.97	2.86	-52.13
O=C(CN1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608467	1	33	-1.0	-54.94	274.92	2.84	-52.10
O=C(C1=CC(F)=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608468	0	33	-1.0	-42.62	281.77	4.52	-38.10
O=C(C1=CC(F)=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608468	1	33	-1.0	-42.61	281.83	4.54	-38.07
CC(=O)C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608469	0	36	-1.0	-57.97	299.40	3.29	-54.68
CC(=O)C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608469	1	36	-1.0	-57.97	299.46	3.31	-54.66
O=C(CC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608470	0	39	-1.0	-46.37	297.90	5.08	-41.29
O=C(CC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608470	1	39	-1.0	-46.36	297.96	5.10	-41.26
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004608471	0	36	-1.0	-38.75	295.19	4.15	-34.60
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004608471	1	36	-1.0	-38.76	295.24	4.17	-34.59
CC1=NN(C)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608472	0	39	-1.0	-46.77	318.86	3.48	-43.29
CC1=NN(C)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608472	1	39	-1.0	-46.77	318.92	3.51	-43.26
CC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608473	0	36	-1.0	-43.63	294.46	5.13	-38.50
CC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608473	1	36	-1.0	-43.66	294.52	5.15	-38.51
CCOC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608474	0	37	-1.0	-44.73	306.05	0.45	-44.28
CCOC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608474	1	37	-1.0	-44.68	306.11	0.47	-44.21
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608475	0	36	-1.0	-44.09	294.56	4.26	-39.83
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608475	1	36	-1.0	-44.09	294.62	4.29	-39.80
O=C(C1=CC=C(Cl)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608476	0	30	-1.0	-38.29	268.11	3.25	-35.04
O=C(C1=CC=C(Cl)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608476	1	30	-1.0	-38.29	268.17	3.28	-35.01
CCOC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608477	0	40	-1.0	-53.21	328.18	1.11	-52.10
CCOC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608477	1	40	-1.0	-53.25	328.24	1.14	-52.11
O=C(C1CC2CCC1C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608478	0	40	-1.0	-46.30	297.36	5.13	-41.17
O=C(C1CC2CCC1C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608478	1	40	-1.0	-46.29	297.42	5.15	-41.14
CC1=CC=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608479	0	38	-1.0	-43.53	318.09	5.10	-38.43
CC1=CC=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608479	1	38	-1.0	-43.51	318.15	5.12	-38.39
CCCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608480	0	39	-1.0	-43.04	313.64	3.39	-39.65
CCCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608480	1	39	-1.0	-43.09	313.69	3.41	-39.68
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004608481	0	42	-1.0	-36.71	329.03	6.51	-30.20
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004608481	1	42	-1.0	-36.70	329.09	6.53	-30.17
O=C(CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608482	0	35	-1.0	-49.09	289.54	3.67	-45.42
O=C(CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608482	1	35	-1.0	-49.10	289.60	3.69	-45.41
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608483	0	35	-1.0	-46.80	286.32	3.27	-43.53
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608483	1	35	-1.0	-46.80	286.38	3.30	-43.50
CN1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608484	0	34	-1.0	-46.26	271.97	3.85	-42.41
CN1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608484	1	34	-1.0	-46.26	272.03	3.88	-42.38
O=C(C1=NOC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608485	0	36	-1.0	-41.99	299.15	4.66	-37.33
O=C(C1=NOC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608485	1	36	-1.0	-42.02	299.20	4.69	-37.33
CC1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608486	0	37	-1.0	-46.12	307.64	1.84	-44.28
CC1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608486	1	37	-1.0	-46.15	307.70	1.86	-44.29
CC1=C(C)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608487	0	36	-1.0	-38.14	299.39	4.74	-33.40
CC1=C(C)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608487	1	36	-1.0	-38.19	299.45	4.76	-33.43
O=C(C1=C2NN=CC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608488	0	36	-1.0	-50.49	297.78	3.15	-47.34
O=C(C1=C2NN=CC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608488	1	36	-1.0	-50.44	297.83	3.17	-47.27
O=C(C1=CC=CC2=CNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608488	1	36	-1.0	-48.89	297.94	3.24	-45.65
O=C(C1=CC=CC2=CNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608488	1	36	-1.0	-48.88	297.88	3.22	-45.66
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004608489	0	42	-1.0	-45.93	312.29	5.89	-40.04
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004608489	1	42	-1.0	-45.94	312.34	5.92	-40.02
O=C(C1=CC=NC2=NC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608490	0	34	-1.0	-53.32	291.11	5.45	-47.87
O=C(C1=CC=NC2=NC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608490	1	34	-1.0	-53.28	291.05	5.43	-47.85
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004608491	0	36	-1.0	-46.33	292.50	2.69	-43.64
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004608491	1	36	-1.0	-46.33	292.55	2.71	-43.62
CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608492	0	38	-1.0	-46.27	299.15	4.78	-41.49
CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608492	1	38	-1.0	-46.25	299.21	4.81	-41.44
CC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608493	0	38	-1.0	-44.94	287.88	4.36	-40.58
CC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608493	1	38	-1.0	-44.91	287.94	4.38	-40.53
O=C(C1CC1(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608494	0	30	-1.0	-44.22	277.48	4.21	-40.01
O=C(C1CC1(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608494	1	30	-1.0	-44.24	277.53	4.24	-40.00
CC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608495	0	35	-1.0	-38.06	296.51	2.94	-35.12
CC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608495	1	35	-1.0	-38.07	296.57	2.96	-35.11
O=C(CCN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608496	0	35	-1.0	-46.13	291.87	4.87	-41.26
O=C(CCN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608496	1	35	-1.0	-46.15	291.82	4.85	-41.30
O=C(CNC(=O)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608497	0	37	-1.0	-44.42	304.14	1.68	-42.74
O=C(CNC(=O)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608497	1	37	-1.0	-44.45	304.20	1.70	-42.75
COC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608498	0	36	-1.0	-40.92	297.27	1.42	-39.50
COC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608498	1	36	-1.0	-40.90	297.22	1.39	-39.51
CCCCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608499	0	39	-1.0	-47.90	322.21	5.41	-42.49
CCCCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608499	1	39	-1.0	-47.94	322.27	5.44	-42.50
CCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608500	0	47	-1.0	-46.22	363.65	7.13	-39.09
CCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608500	1	47	-1.0	-46.24	363.70	7.15	-39.09
CCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608501	0	44	-1.0	-46.19	342.15	6.34	-39.85
CCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608501	1	44	-1.0	-46.20	342.21	6.37	-39.83
CCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608502	0	41	-1.0	-46.36	320.65	5.56	-40.80
CCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608502	1	41	-1.0	-46.33	320.71	5.59	-40.74
O=C(CCN1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608503	0	36	-1.0	-45.23	297.11	3.45	-41.78
O=C(CCN1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608503	1	36	-1.0	-45.17	297.05	3.42	-41.75
O=C(C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608504	0	33	-1.0	-50.66	286.78	4.68	-45.98
O=C(C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608504	1	33	-1.0	-50.64	286.83	4.71	-45.93
O=C(C1=CC=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608505	0	33	-1.0	-51.88	270.99	1.37	-50.51
O=C(C1=CC=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608505	1	33	-1.0	-51.90	271.05	1.40	-50.50
CC(C)SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608506	0	36	-1.0	-47.92	297.49	4.47	-43.45
CC(C)SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608506	1	36	-1.0	-47.94	297.55	4.49	-43.45
O=C(C1=C2N=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608507	0	35	-1.0	-56.37	293.92	3.42	-52.95
O=C(C1=C2N=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608507	1	35	-1.0	-56.37	293.86	3.39	-52.98
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608508	0	35	-1.0	-46.66	286.44	4.06	-42.60
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608508	1	35	-1.0	-46.68	286.49	4.09	-42.59
O=C(C1=C2C=NNC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608509	0	36	-1.0	-39.65	297.28	3.07	-36.58
O=C(C1=C2C=NNC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608509	1	36	-1.0	-39.64	297.34	3.09	-36.55
O=C(C1=CC=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608510	0	34	-1.0	-49.31	282.09	1.91	-47.40
O=C(C1=CC=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608510	1	34	-1.0	-49.31	282.15	1.94	-47.37
O=C(C1=CC2=CNN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608511	0	36	-1.0	-51.79	296.95	3.13	-48.66
O=C(C1=CC2=CNN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608511	1	36	-1.0	-51.75	297.00	3.16	-48.59
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1O	REAL250004608512	0	37	-1.0	-47.30	302.14	2.68	-44.62
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1O	REAL250004608512	1	37	-1.0	-47.32	302.20	2.71	-44.61
O=C(C1=CC(C2CC2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608513	0	37	-1.0	-43.32	300.52	3.36	-39.96
O=C(C1=CC(C2CC2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608513	1	37	-1.0	-43.33	300.58	3.38	-39.95
CC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608514	0	37	-1.0	-48.82	302.47	2.55	-46.27
CC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608514	1	37	-1.0	-48.81	302.53	2.57	-46.24
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL250004608515	0	37	-1.0	-48.16	301.52	2.33	-45.83
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL250004608515	1	37	-1.0	-48.13	301.57	2.36	-45.77
CN1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL250004608516	0	40	-1.0	-41.47	311.21	2.85	-38.62
CN1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL250004608516	1	40	-1.0	-41.48	311.26	2.88	-38.60
CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004608517	0	36	-1.0	-43.02	294.80	3.21	-39.81
CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004608517	1	36	-1.0	-43.07	294.86	3.23	-39.84
CCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL250004608518	0	40	-1.0	-48.01	315.58	3.17	-44.84
CCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL250004608518	1	40	-1.0	-48.00	315.64	3.19	-44.81
N#CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608519	0	31	-1.0	-55.53	278.56	3.58	-51.95
N#CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608519	1	31	-1.0	-55.54	278.62	3.60	-51.94
CS(=O)(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608520	0	35	-1.0	-51.21	298.29	0.00	-51.21
CS(=O)(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608520	1	35	-1.0	-51.21	298.35	0.03	-51.18
CN1N=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608521	0	37	-1.0	-38.94	306.06	3.57	-35.37
CN1N=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608521	1	37	-1.0	-38.95	306.11	3.59	-35.36
O=C(C1=CC=C2OCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608522	0	38	-1.0	-45.95	305.79	4.29	-41.66
O=C(C1=CC=C2OCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608522	1	38	-1.0	-45.95	305.85	4.32	-41.63
CNC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608523	0	38	-1.0	-45.01	302.70	3.45	-41.56
CNC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608523	1	38	-1.0	-45.04	302.76	3.47	-41.57
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004608524	0	36	-1.0	-44.08	292.64	3.15	-40.93
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004608524	1	36	-1.0	-44.06	292.58	3.13	-40.93
CCC1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608525	0	36	-1.0	-47.95	292.68	2.23	-45.72
CCC1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608525	1	36	-1.0	-47.94	292.73	2.26	-45.68
O=C(CN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608526	0	32	-1.0	-56.87	269.76	4.29	-52.58
O=C(CN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608526	1	32	-1.0	-56.87	269.71	4.27	-52.60
O=C(CSC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608527	0	30	-1.0	-44.81	277.49	3.55	-41.26
O=C(CSC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608527	1	30	-1.0	-44.84	277.54	3.57	-41.27
CC(C)OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608528	0	39	-1.0	-44.54	310.48	3.25	-41.29
CC(C)OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608528	1	39	-1.0	-44.53	310.54	3.28	-41.25
O=C(CN1C=CC=NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608529	0	35	-1.0	-63.51	293.78	1.85	-61.66
O=C(CN1C=CC=NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608529	1	35	-1.0	-63.50	293.84	1.88	-61.62
CCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608530	0	36	-1.0	-43.18	292.14	2.59	-40.59
CCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608530	1	36	-1.0	-43.16	292.20	2.62	-40.54
O=C(C1COCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608531	0	35	-1.0	-47.57	275.03	1.61	-45.96
O=C(C1COCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608531	1	35	-1.0	-47.60	275.09	1.63	-45.97
CCCCCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608532	0	45	-1.0	-49.18	355.26	5.96	-43.22
CCCCCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608532	1	45	-1.0	-49.21	355.31	5.99	-43.22
COC(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608533	0	32	-1.0	-54.47	266.63	3.43	-51.04
COC(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608533	1	32	-1.0	-54.43	266.69	3.45	-50.98
O=C(CCC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608534	0	40	-1.0	-46.07	312.64	3.58	-42.49
O=C(CCC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608534	1	40	-1.0	-46.12	312.70	3.61	-42.51
COCCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608535	0	37	-1.0	-47.61	312.89	2.91	-44.70
COCCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608535	1	37	-1.0	-47.60	312.94	2.93	-44.67
O=C(CN1CCCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608536	0	40	-1.0	-52.41	315.15	3.71	-48.70
O=C(CN1CCCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608536	1	40	-1.0	-52.44	315.21	3.73	-48.71
O=C(CN1CCCNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608537	0	39	-1.0	-55.41	310.21	1.61	-53.80
O=C(CN1CCCNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608537	1	39	-1.0	-55.39	310.26	1.63	-53.76
CC(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608538	0	36	-1.0	-54.38	290.95	2.42	-51.96
CC(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608538	1	36	-1.0	-54.39	291.01	2.45	-51.94
CCC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608539	0	38	-1.0	-46.20	285.81	4.04	-42.16
CCC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608539	1	38	-1.0	-46.18	285.87	4.07	-42.11
CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL250004608540	0	37	-1.0	-47.70	294.05	2.16	-45.54
CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL250004608540	1	37	-1.0	-47.71	294.11	2.19	-45.52
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C#N	REAL250004608541	0	36	-1.0	-44.16	304.54	4.33	-39.83
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C#N	REAL250004608541	1	36	-1.0	-44.22	304.60	4.36	-39.86
CC1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608542	0	33	-1.0	-47.94	271.21	1.50	-46.44
CC1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608542	1	33	-1.0	-47.94	271.27	1.53	-46.41
O=C(C1=CSN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608543	0	28	-1.0	-43.26	249.24	1.40	-41.86
O=C(C1=CSN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608543	1	28	-1.0	-43.27	249.19	1.37	-41.90
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004608544	0	36	-1.0	-46.51	297.63	1.19	-45.32
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004608544	1	36	-1.0	-46.52	297.58	1.16	-45.36
CCCCC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608545	0	44	-1.0	-45.87	335.02	5.81	-40.06
CCCCC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608545	1	44	-1.0	-45.91	335.08	5.84	-40.07
COC(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608546	0	37	-1.0	-53.56	304.93	2.41	-51.15
COC(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608546	1	37	-1.0	-53.55	304.99	2.44	-51.11
CCC(=O)NC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608547	0	39	-1.0	-43.79	312.09	1.55	-42.24
CCC(=O)NC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608547	1	39	-1.0	-43.82	312.14	1.58	-42.24
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608548	0	38	-1.0	-50.38	309.49	4.77	-45.61
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608548	1	38	-1.0	-50.32	309.54	4.79	-45.53
O=C(C1=CC=CC=[N+]1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004608549	0	33	-1.0	-57.81	273.96	3.35	-54.46
O=C(C1=CC=CC=[N+]1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004608549	1	33	-1.0	-57.86	274.02	3.38	-54.48
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL250004608550	0	32	-1.0	-37.76	274.12	2.23	-35.53
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL250004608550	1	32	-1.0	-37.73	274.17	2.25	-35.48
O=C(CCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608551	0	42	-1.0	-48.57	337.56	7.03	-41.54
O=C(CCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608551	1	42	-1.0	-48.56	337.61	7.05	-41.51
O=C(C1=C2C=CNC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608552	0	37	-1.0	-51.69	302.47	4.49	-47.20
O=C(C1=C2C=CNC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608552	1	37	-1.0	-51.68	302.53	4.52	-47.16
CCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608553	0	39	-1.0	-49.16	311.68	3.26	-45.90
CCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608553	1	39	-1.0	-49.20	311.74	3.28	-45.92
O=C(COCC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608554	0	37	-1.0	-49.77	300.95	4.40	-45.37
O=C(COCC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608554	1	37	-1.0	-49.77	301.01	4.42	-45.35
O=C(CC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608555	0	37	-1.0	-50.83	290.73	3.43	-47.40
O=C(CC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608555	1	37	-1.0	-50.77	290.79	3.46	-47.31
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL250004608556	0	35	-1.0	-63.00	290.46	0.44	-62.56
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL250004608556	1	35	-1.0	-63.04	290.51	0.46	-62.58
CC1=CNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608557	0	34	-1.0	-40.43	277.33	3.03	-37.40
CC1=CNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608557	1	34	-1.0	-40.36	277.39	3.05	-37.31
CSC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608558	0	33	-1.0	-48.06	273.94	3.37	-44.69
CSC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608558	1	33	-1.0	-48.06	273.99	3.40	-44.66
CCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608559	0	36	-1.0	-49.02	285.48	3.27	-45.75
CCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608559	1	36	-1.0	-49.02	285.54	3.29	-45.73
O=C(C1=CC=C2C=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608560	0	37	-1.0	-47.95	301.95	4.45	-43.50
O=C(C1=CC=C2C=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608560	1	37	-1.0	-47.96	302.01	4.48	-43.48
NC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004608561	0	35	-1.0	-50.29	291.23	-0.94	-51.23
NC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004608561	1	35	-1.0	-50.29	291.28	-0.92	-51.21
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004608562	0	39	-1.0	-46.50	310.51	3.35	-43.15
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004608562	1	39	-1.0	-46.53	310.56	3.37	-43.16
CC(C)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608563	0	39	-1.0	-37.83	310.99	3.14	-34.69
CC(C)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608563	1	39	-1.0	-37.84	311.05	3.17	-34.67
CCOC(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608564	0	35	-1.0	-54.17	288.46	4.33	-49.84
CCOC(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608564	1	35	-1.0	-54.22	288.52	4.35	-49.87
O=C(CCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608565	0	38	-1.0	-46.53	310.94	4.48	-42.05
O=C(CCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608565	1	38	-1.0	-46.51	311.00	4.50	-42.01
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL250004608566	0	36	-1.0	-41.90	299.87	3.40	-38.50
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL250004608566	1	36	-1.0	-41.92	299.93	3.43	-38.49
N#CCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608568	0	37	-1.0	-51.76	312.18	5.59	-46.17
N#CCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608568	1	37	-1.0	-51.76	312.24	5.61	-46.15
O=C(C1CCC(=O)NC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608569	0	37	-1.0	-38.97	291.72	0.85	-38.12
O=C(C1CCC(=O)NC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608569	1	37	-1.0	-38.98	291.77	0.87	-38.11
COCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608570	0	36	-1.0	-49.12	289.83	2.29	-46.83
COCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608570	1	36	-1.0	-49.09	289.88	2.32	-46.77
O=C(C1=NNC2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608571	0	37	-1.0	-48.44	295.48	3.35	-45.09
O=C(C1=NNC2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608571	1	37	-1.0	-48.48	295.54	3.38	-45.10
CC(F)(F)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608572	0	35	-1.0	-43.79	288.80	4.14	-39.65
CC(F)(F)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608572	1	35	-1.0	-43.80	288.86	4.17	-39.63
O=C(COC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608573	0	40	-1.0	-49.59	313.92	4.87	-44.72
O=C(COC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608573	1	40	-1.0	-49.56	313.98	4.89	-44.67
O=C(COC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608574	0	43	-1.0	-49.24	331.13	5.47	-43.77
O=C(COC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608574	1	43	-1.0	-49.22	331.19	5.49	-43.73
CC1=NC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608575	0	34	-1.0	-42.45	278.07	2.99	-39.46
CC1=NC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608575	1	34	-1.0	-42.48	278.13	3.02	-39.46
CCC1=NC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608576	0	37	-1.0	-42.29	298.04	3.67	-38.62
CCC1=NC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608576	1	37	-1.0	-42.24	298.10	3.69	-38.55
C=CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608577	0	34	-1.0	-48.23	292.02	4.40	-43.83
C=CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608577	1	34	-1.0	-48.22	292.08	4.42	-43.80
CCOC1CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608578	0	37	-1.0	-50.88	297.72	4.43	-46.45
CCOC1CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608578	1	37	-1.0	-50.90	297.78	4.46	-46.44
CC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608579	0	34	-1.0	-40.01	281.48	3.21	-36.80
CC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608579	1	34	-1.0	-39.99	281.53	3.23	-36.76
O=C(C1=C(Cl)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608580	0	29	-1.0	-47.40	270.67	2.08	-45.32
O=C(C1=C(Cl)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608580	1	29	-1.0	-47.45	270.62	2.06	-45.39
CCSCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608581	0	36	-1.0	-44.21	300.89	4.59	-39.62
CCSCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608581	1	36	-1.0	-44.24	300.94	4.62	-39.62
COC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608582	0	34	-1.0	-44.89	284.19	-0.48	-45.37
COC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608582	1	34	-1.0	-44.90	284.24	-0.46	-45.36
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608583	0	33	-1.0	-41.67	284.52	4.39	-37.28
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608583	1	33	-1.0	-41.70	284.57	4.41	-37.29
O=C(C1=NSN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608584	0	28	-1.0	-41.76	248.17	1.06	-40.70
O=C(C1=NSN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608584	1	28	-1.0	-41.74	248.12	1.03	-40.71
O=C(C1=CN=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608585	0	28	-1.0	-41.98	249.68	1.07	-40.91
O=C(C1=CN=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608585	1	28	-1.0	-41.97	249.62	1.04	-40.93
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608586	0	38	-1.0	-49.83	311.12	4.26	-45.57
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608586	1	38	-1.0	-49.90	311.17	4.29	-45.61
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL250004608587	0	36	-1.0	-60.88	299.97	2.08	-58.80
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL250004608587	1	36	-1.0	-60.93	300.03	2.11	-58.82
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004608588	0	47	-1.0	-45.66	341.87	6.05	-39.61
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004608588	1	47	-1.0	-45.67	341.93	6.08	-39.59
CCCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608589	0	36	-1.0	-47.96	300.71	4.63	-43.33
CCCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608589	1	36	-1.0	-47.97	300.77	4.66	-43.31
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004608590	0	37	-1.0	-45.04	291.21	5.18	-39.86
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004608590	1	37	-1.0	-45.07	291.26	5.21	-39.86
O=C(C1=CN=C2NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608591	0	36	-1.0	-58.48	301.06	3.98	-54.50
O=C(C1=CN=C2NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608591	1	36	-1.0	-58.51	301.11	4.00	-54.51
O=C(C1=CN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608592	0	29	-1.0	-45.34	255.14	1.62	-43.72
O=C(C1=CN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608592	1	29	-1.0	-45.34	255.09	1.59	-43.75
O=C(C=C(C1CC1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608593	0	41	-1.0	-37.00	318.56	6.47	-30.53
O=C(C=C(C1CC1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608593	1	41	-1.0	-36.94	318.62	6.50	-30.44
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608594	0	33	-1.0	-38.04	270.71	1.87	-36.17
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608594	1	33	-1.0	-38.04	270.76	1.89	-36.15
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL250004608594	1	33	-1.0	-47.10	271.89	2.05	-45.05
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL250004608594	1	33	-1.0	-47.11	271.94	2.07	-45.04
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004608595	0	40	-1.0	-37.49	323.54	6.72	-30.77
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004608595	1	40	-1.0	-37.54	323.60	6.74	-30.80
CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004608596	0	36	-1.0	-54.82	296.79	3.52	-51.30
CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004608596	1	36	-1.0	-54.83	296.73	3.49	-51.34
O=C(C=C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608597	0	37	-1.0	-46.46	289.08	5.04	-41.42
O=C(C=C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608597	1	37	-1.0	-46.51	289.14	5.07	-41.44
CC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608598	0	36	-1.0	-44.36	288.80	2.77	-41.59
CC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608598	1	36	-1.0	-44.38	288.86	2.80	-41.58
CN1C=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608599	0	39	-1.0	-48.65	318.97	4.07	-44.58
CN1C=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608599	1	39	-1.0	-48.68	318.91	4.04	-44.64
CCCCSC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608600	0	42	-1.0	-47.68	338.40	5.84	-41.84
CCCCSC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608600	1	42	-1.0	-47.68	338.45	5.86	-41.82
CC1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004608601	0	39	-1.0	-44.99	318.99	4.12	-40.87
CC1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004608601	1	39	-1.0	-45.01	318.93	4.09	-40.92
CCOCCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608602	0	43	-1.0	-51.35	340.96	3.48	-47.87
CCOCCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608602	1	43	-1.0	-51.34	341.02	3.50	-47.84
CC(C)COC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608603	0	42	-1.0	-37.14	327.09	4.75	-32.39
CC(C)COC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608603	1	42	-1.0	-37.11	327.15	4.77	-32.34
O=C(CCC1=NC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608604	0	35	-1.0	-46.27	300.89	3.37	-42.90
O=C(CCC1=NC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608604	1	35	-1.0	-46.28	300.95	3.40	-42.88
CC(C)CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608605	0	42	-1.0	-47.76	339.78	5.93	-41.83
CC(C)CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608605	1	42	-1.0	-47.76	339.84	5.95	-41.81
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004608606	0	40	-1.0	-42.26	304.56	4.24	-38.02
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004608606	1	40	-1.0	-42.30	304.62	4.26	-38.04
CCCC(C)=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608607	0	39	-1.0	-44.92	306.25	5.29	-39.63
CCCC(C)=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608607	1	39	-1.0	-44.88	306.30	5.31	-39.57
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608608	0	32	-1.0	-37.23	276.12	2.26	-34.97
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608608	1	32	-1.0	-37.23	276.17	2.29	-34.94
CCOC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608609	0	39	-1.0	-48.75	300.88	3.87	-44.88
CCOC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608609	1	39	-1.0	-48.74	300.94	3.89	-44.85
O=C(C1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608610	0	34	-1.0	-45.71	265.67	1.63	-44.08
O=C(C1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608610	1	34	-1.0	-45.75	265.73	1.66	-44.09
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608611	0	36	-1.0	-47.46	306.78	5.34	-42.12
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608611	1	36	-1.0	-47.42	306.84	5.37	-42.05
O=C(C=C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608612	0	40	-1.0	-36.76	304.21	5.52	-31.24
O=C(C=C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608612	1	40	-1.0	-36.72	304.27	5.55	-31.17
CS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608613	0	32	-1.0	-64.35	276.21	-0.49	-64.84
CS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608613	1	32	-1.0	-64.42	276.27	-0.47	-64.89
CCS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608614	0	35	-1.0	-63.99	297.68	0.40	-63.59
CCS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608614	1	35	-1.0	-64.01	297.74	0.43	-63.58
O=C(CCN1CCOC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608615	0	38	-1.0	-53.99	310.97	2.60	-51.39
O=C(CCN1CCOC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608615	1	38	-1.0	-54.00	311.03	2.63	-51.37
O=C(C1=CC=CC2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608616	0	40	-1.0	-47.29	311.94	6.26	-41.03
O=C(C1=CC=CC2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608616	1	40	-1.0	-47.28	312.00	6.29	-40.99
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL250004608617	0	36	-1.0	-37.95	300.17	4.90	-33.05
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL250004608617	1	36	-1.0	-37.97	300.23	4.92	-33.05
CC(OCC1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608618	0	40	-1.0	-49.55	317.41	4.85	-44.70
CC(OCC1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608618	1	40	-1.0	-49.53	317.47	4.88	-44.65
CC(C)OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608619	0	36	-1.0	-49.38	289.54	3.55	-45.83
CC(C)OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608619	1	36	-1.0	-49.39	289.59	3.58	-45.81
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004608620	0	39	-1.0	-45.39	302.58	5.29	-40.10
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004608620	1	39	-1.0	-45.39	302.64	5.32	-40.07
CC1CCCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608621	0	45	-1.0	-46.06	324.91	5.99	-40.07
CC1CCCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608621	1	45	-1.0	-46.12	324.97	6.01	-40.11
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CO1	REAL250004608622	0	32	-1.0	-41.58	264.11	1.13	-40.45
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CO1	REAL250004608622	1	32	-1.0	-41.52	264.06	1.10	-40.42
O=C(CC(C1CC1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608623	0	43	-1.0	-45.32	334.11	6.76	-38.56
O=C(CC(C1CC1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608623	1	43	-1.0	-45.29	334.17	6.79	-38.50
CCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608624	0	35	-1.0	-37.23	298.43	3.06	-34.17
CCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608624	1	35	-1.0	-37.23	298.49	3.08	-34.15
O=C(CCCN1C=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608625	0	39	-1.0	-54.48	318.08	5.83	-48.65
O=C(CCCN1C=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608625	1	39	-1.0	-54.48	318.14	5.86	-48.62
C=CCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608626	0	37	-1.0	-49.16	303.57	4.18	-44.98
C=CCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608626	1	37	-1.0	-49.18	303.63	4.21	-44.97
O=C(CCC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608627	0	35	-1.0	-46.00	300.38	3.27	-42.73
O=C(CCC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608627	1	35	-1.0	-45.98	300.43	3.29	-42.69
O=C(C1=CC=NC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608629	0	32	-1.0	-45.79	271.82	2.65	-43.14
O=C(C1=CC=NC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608629	1	32	-1.0	-45.77	271.76	2.62	-43.15
CN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608630	0	33	-1.0	-44.27	268.90	2.20	-42.07
CN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608630	1	33	-1.0	-44.27	268.84	2.18	-42.09
O=C(CCCN1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608631	0	39	-1.0	-55.40	318.62	4.23	-51.17
O=C(CCCN1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608631	1	39	-1.0	-55.42	318.56	4.21	-51.21
COCCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608632	0	40	-1.0	-46.17	323.84	1.77	-44.40
COCCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608632	1	40	-1.0	-46.18	323.90	1.80	-44.38
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004608633	0	36	-1.0	-48.84	292.84	4.49	-44.35
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004608633	1	36	-1.0	-48.86	292.90	4.52	-44.34
O=C(CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608635	0	29	-1.0	-48.48	252.11	2.89	-45.59
O=C(CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608635	1	29	-1.0	-48.46	252.17	2.92	-45.54
O=C(C1CNC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608636	0	34	-1.0	-50.35	271.74	-0.16	-50.51
O=C(C1CNC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608636	1	34	-1.0	-50.36	271.80	-0.14	-50.50
CCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608637	0	36	-1.0	-49.27	290.76	3.62	-45.65
CCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608637	1	36	-1.0	-49.27	290.82	3.64	-45.63
CCCCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608638	0	42	-1.0	-48.89	328.48	4.84	-44.05
CCCCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608638	1	42	-1.0	-48.92	328.54	4.86	-44.06
CC(C)CCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608639	0	42	-1.0	-49.16	329.83	4.91	-44.25
CC(C)CCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608639	1	42	-1.0	-49.15	329.88	4.94	-44.21
CC(C)CCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608640	0	45	-1.0	-48.87	346.05	5.36	-43.51
CC(C)CCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608640	1	45	-1.0	-48.82	346.10	5.39	-43.43
COCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608641	0	39	-1.0	-46.60	311.33	3.07	-43.53
COCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608641	1	39	-1.0	-46.64	311.38	3.10	-43.54
NC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608642	0	36	-1.0	-58.81	293.86	0.08	-58.73
NC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608642	1	36	-1.0	-58.80	293.92	0.11	-58.69
C=CCCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608643	0	40	-1.0	-48.97	319.79	4.62	-44.35
C=CCCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608643	1	40	-1.0	-49.01	319.85	4.65	-44.36
O=C(C1=CC=C2COCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608644	0	38	-1.0	-46.33	305.88	3.71	-42.62
O=C(C1=CC=C2COCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608644	1	38	-1.0	-46.37	305.94	3.74	-42.63
O=C(C1=CN2C=NN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608645	0	35	-1.0	-47.35	292.42	5.77	-41.58
O=C(C1=CN2C=NN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608645	1	35	-1.0	-47.36	292.36	5.75	-41.61
O=C(C=CC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608647	0	33	-1.0	-42.21	289.89	3.11	-39.10
O=C(C=CC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608647	1	33	-1.0	-42.19	289.95	3.14	-39.05
CN1C=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608648	0	35	-1.0	-46.94	301.47	2.34	-44.60
CN1C=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608648	1	35	-1.0	-46.93	301.52	2.37	-44.56
CCC(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608649	0	36	-1.0	-48.62	279.00	2.93	-45.69
CCC(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608649	1	36	-1.0	-48.61	279.06	2.96	-45.65
O=C(CCN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608650	0	42	-1.0	-46.58	323.03	0.93	-45.65
O=C(CCN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608650	1	42	-1.0	-46.62	323.09	0.95	-45.67
O=C(CCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608651	0	38	-1.0	-46.44	310.25	4.47	-41.97
O=C(CCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608651	1	38	-1.0	-46.49	310.30	4.50	-41.99
O=C(CCN1C=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608652	0	36	-1.0	-46.31	296.57	5.03	-41.28
O=C(CCN1C=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608652	1	36	-1.0	-46.33	296.63	5.05	-41.28
CCCC1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608653	0	39	-1.0	-47.82	314.95	3.00	-44.82
CCCC1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608653	1	39	-1.0	-47.83	315.00	3.02	-44.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC1	REAL250004608654	0	33	-1.0	-44.15	276.73	3.70	-40.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC1	REAL250004608654	1	33	-1.0	-44.13	276.79	3.73	-40.40
CN1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608655	0	36	-1.0	-51.73	297.57	3.27	-48.46
CN1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608655	1	36	-1.0	-51.73	297.52	3.24	-48.49
CCN1N=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608656	0	39	-1.0	-44.27	310.58	3.64	-40.63
CCN1N=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608656	1	39	-1.0	-44.32	310.63	3.66	-40.66
O=C(COC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608657	0	36	-1.0	-50.32	298.52	3.59	-46.73
O=C(COC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608657	1	36	-1.0	-50.28	298.46	3.57	-46.71
CCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608658	0	38	-1.0	-46.37	279.00	3.62	-42.75
CCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608658	1	38	-1.0	-46.43	279.06	3.64	-42.79
O=C(C1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608659	0	42	-1.0	-44.82	300.14	5.06	-39.76
O=C(C1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608659	1	42	-1.0	-44.83	300.20	5.09	-39.74
COC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608660	0	36	-1.0	-47.90	287.50	3.05	-44.85
COC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608660	1	36	-1.0	-47.85	287.56	3.08	-44.77
O=C(C1=CC=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608661	0	33	-1.0	-52.25	283.01	4.56	-47.69
O=C(C1=CC=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608661	1	33	-1.0	-52.24	283.07	4.59	-47.65
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004608662	0	40	-1.0	-35.32	289.71	2.37	-32.95
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004608662	1	40	-1.0	-35.34	289.77	2.39	-32.95
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004608663	0	39	-1.0	-46.71	286.18	4.32	-42.39
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004608663	1	39	-1.0	-46.69	286.24	4.35	-42.34
CC1CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608664	0	45	-1.0	-46.09	335.39	6.34	-39.75
CC1CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608664	1	45	-1.0	-46.11	335.45	6.37	-39.74
N#CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608665	0	37	-1.0	-49.39	315.52	5.83	-43.56
N#CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608665	1	37	-1.0	-49.35	315.58	5.85	-43.50
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL250004608666	0	42	-1.0	-46.21	309.52	0.42	-45.79
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL250004608666	1	42	-1.0	-46.22	309.58	0.45	-45.77
CC(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608667	0	39	-1.0	-45.26	298.91	1.92	-43.34
CC(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608667	1	39	-1.0	-45.28	298.96	1.94	-43.34
CCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608668	0	41	-1.0	-45.78	312.61	5.25	-40.53
CCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608668	1	41	-1.0	-45.78	312.67	5.27	-40.51
CC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608669	0	39	-1.0	-47.61	316.08	6.10	-41.51
CC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608669	1	39	-1.0	-47.57	316.13	6.13	-41.44
CCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608670	0	36	-1.0	-44.62	290.21	2.51	-42.11
CCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608670	1	36	-1.0	-44.60	290.27	2.53	-42.07
CCSC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004608671	0	42	-1.0	-47.64	321.11	5.26	-42.38
CCSC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004608671	1	42	-1.0	-47.64	321.16	5.29	-42.35
CC(C)CC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608672	0	44	-1.0	-45.74	330.01	5.77	-39.97
CC(C)CC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608672	1	44	-1.0	-45.73	330.07	5.80	-39.93
CNC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608673	0	37	-1.0	-41.70	301.37	1.09	-40.61
CNC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608673	1	37	-1.0	-41.72	301.43	1.12	-40.60
CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608674	0	36	-1.0	-50.23	295.63	5.13	-45.10
CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608674	1	36	-1.0	-50.27	295.69	5.15	-45.12
O=C(CCN1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608675	0	40	-1.0	-52.22	320.71	3.50	-48.72
O=C(CCN1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608675	1	40	-1.0	-52.26	320.77	3.53	-48.73
CC1=CC=C(C)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608676	0	42	-1.0	-47.51	332.85	6.60	-40.91
CC1=CC=C(C)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608676	1	42	-1.0	-47.49	332.91	6.62	-40.87
O=C(C1CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608677	0	37	-1.0	-44.80	286.74	2.50	-42.30
O=C(C1CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608677	1	37	-1.0	-44.82	286.80	2.53	-42.29
NC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608678	0	34	-1.0	-41.27	279.88	-0.45	-41.72
NC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608678	1	34	-1.0	-41.28	279.94	-0.42	-41.70
O=C(C1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608679	0	29	-1.0	-41.55	254.27	2.27	-39.28
O=C(C1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608679	1	29	-1.0	-41.57	254.22	2.25	-39.32
CCNC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608680	0	42	-1.0	-58.73	337.28	2.41	-56.32
CCNC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608680	1	42	-1.0	-58.74	337.34	2.44	-56.30
CCNC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608681	0	39	-1.0	-45.50	315.79	1.63	-43.87
CCNC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608681	1	39	-1.0	-45.53	315.84	1.65	-43.88
CCCNC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608682	0	42	-1.0	-45.31	337.28	2.39	-42.92
CCCNC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608682	1	42	-1.0	-45.35	337.34	2.42	-42.93
NC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608683	0	37	-1.0	-40.78	290.78	-0.13	-40.91
NC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608683	1	37	-1.0	-40.77	290.84	-0.10	-40.87
CCC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608684	0	36	-1.0	-44.45	293.65	0.92	-43.53
CCC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608684	1	36	-1.0	-44.45	293.71	0.95	-43.50
CNC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608685	0	40	-1.0	-40.70	312.69	1.38	-39.32
CNC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608685	1	40	-1.0	-40.75	312.75	1.41	-39.34
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL250004608686	0	34	-1.0	-41.74	289.74	2.86	-38.88
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL250004608686	1	34	-1.0	-41.73	289.79	2.89	-38.84
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004608687	0	38	-1.0	-42.36	296.15	1.91	-40.45
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004608687	1	38	-1.0	-42.39	296.21	1.93	-40.46
O=C(C1=CN2C=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608688	0	36	-1.0	-41.16	301.09	5.15	-36.01
O=C(C1=CN2C=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608688	1	36	-1.0	-41.12	301.15	5.17	-35.95
CC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608689	0	42	-1.0	-47.09	329.28	6.46	-40.63
CC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608689	1	42	-1.0	-47.13	329.34	6.49	-40.64
O=C(CNCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608690	0	34	-1.0	-49.46	291.72	1.02	-48.44
O=C(CNCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608690	1	34	-1.0	-49.44	291.78	1.05	-48.39
CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608691	0	33	-1.0	-43.53	272.71	2.82	-40.71
CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608691	1	33	-1.0	-43.49	272.66	2.79	-40.70
COCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608692	0	37	-1.0	-52.43	302.89	2.06	-50.37
COCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608692	1	37	-1.0	-52.43	302.95	2.09	-50.34
CCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608693	0	38	-1.0	-45.98	294.11	4.40	-41.58
CCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608693	1	38	-1.0	-46.02	294.17	4.42	-41.60
CC(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004608694	0	39	-1.0	-47.19	312.38	3.87	-43.32
CC(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004608694	1	39	-1.0	-47.17	312.44	3.90	-43.27
O=C(C1=CN2C=CC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608695	0	37	-1.0	-50.51	302.49	6.01	-44.50
O=C(C1=CN2C=CC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608695	1	37	-1.0	-50.49	302.54	6.03	-44.46
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1CC1	REAL250004608696	0	40	-1.0	-53.99	323.02	3.99	-50.00
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1CC1	REAL250004608696	1	40	-1.0	-53.98	323.08	4.02	-49.96
COCC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608697	0	40	-1.0	-60.03	328.51	0.96	-59.07
COCC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608697	1	40	-1.0	-59.97	328.57	0.98	-58.99
NC(=O)CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608698	0	34	-1.0	-58.87	295.22	-0.09	-58.96
NC(=O)CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608698	1	34	-1.0	-58.87	295.28	-0.06	-58.93
CC1=NON=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608699	0	31	-1.0	-38.34	260.44	2.28	-36.06
CC1=NON=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608699	1	31	-1.0	-38.34	260.49	2.31	-36.03
O=C(C1=C2C=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608701	0	36	-1.0	-50.16	299.14	4.27	-45.89
O=C(C1=C2C=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608701	1	36	-1.0	-50.19	299.08	4.24	-45.95
C#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004608703	0	34	-1.0	-41.59	292.10	4.64	-36.95
C#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004608703	1	34	-1.0	-41.59	292.16	4.66	-36.93
O=C(CC1CCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608704	0	37	-1.0	-53.70	296.09	1.17	-52.53
O=C(CC1CCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608704	1	37	-1.0	-53.67	296.14	1.20	-52.47
O=C(C1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608705	0	40	-1.0	-47.70	317.30	6.40	-41.30
O=C(C1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608705	1	40	-1.0	-47.71	317.36	6.43	-41.28
O=C([C@H]1CCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608706	0	34	-1.0	-53.69	275.52	0.25	-53.44
O=C([C@H]1CCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608706	1	34	-1.0	-53.71	275.57	0.28	-53.43
CC1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608707	0	42	-1.0	-45.46	332.77	6.77	-38.69
CC1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608707	1	42	-1.0	-45.44	332.83	6.79	-38.65
COC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608709	0	37	-1.0	-53.55	306.32	0.18	-53.37
COC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608709	1	37	-1.0	-53.57	306.37	0.21	-53.36
O=C(C1=CC=C(F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608710	0	32	-1.0	-36.69	271.83	2.64	-34.05
O=C(C1=CC=C(F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608710	1	32	-1.0	-36.69	271.78	2.61	-34.08
COC(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608711	0	40	-1.0	-42.59	309.71	1.47	-41.12
COC(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608711	1	40	-1.0	-42.56	309.76	1.50	-41.06
O=C(C1=CC=C2NC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608712	0	37	-1.0	-42.33	301.39	4.47	-37.86
O=C(C1=CC=C2NC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608712	1	37	-1.0	-42.31	301.45	4.49	-37.82
COC(=O)NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608713	0	40	-1.0	-49.54	327.81	0.99	-48.55
COC(=O)NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608713	1	40	-1.0	-49.56	327.87	1.01	-48.55
CN1C=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004608715	0	36	-1.0	-63.63	299.14	3.36	-60.27
CN1C=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004608715	1	36	-1.0	-63.64	299.19	3.39	-60.25
C#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608716	0	34	-1.0	-40.07	292.74	3.74	-36.33
C#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608716	1	34	-1.0	-40.08	292.80	3.77	-36.31
O=C(CC1=CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608717	0	40	-1.0	-46.34	310.55	5.67	-40.67
O=C(CC1=CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608717	1	40	-1.0	-46.36	310.61	5.69	-40.67
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004608718	0	33	-1.0	-48.32	271.91	2.68	-45.64
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004608718	1	33	-1.0	-48.32	271.97	2.71	-45.61
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004608719	0	44	-1.0	-45.54	318.04	5.34	-40.20
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004608719	1	44	-1.0	-45.54	318.10	5.37	-40.17
COCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608720	0	36	-1.0	-43.98	287.39	2.10	-41.88
COCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608720	1	36	-1.0	-44.00	287.44	2.12	-41.88
CC(C)(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608721	0	44	-1.0	-46.19	332.91	5.71	-40.48
CC(C)(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608721	1	44	-1.0	-46.22	332.97	5.73	-40.49
C=CCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608722	0	34	-1.0	-49.79	282.16	3.39	-46.40
C=CCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608722	1	34	-1.0	-49.74	282.22	3.42	-46.32
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL250004608723	0	36	-1.0	-43.95	297.19	5.13	-38.82
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL250004608723	1	36	-1.0	-43.98	297.24	5.15	-38.83
O=C(COCC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608724	0	41	-1.0	-53.73	326.19	3.21	-50.52
O=C(COCC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608724	1	41	-1.0	-53.73	326.25	3.24	-50.49
O=C(C1COC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608725	0	38	-1.0	-49.87	302.53	4.19	-45.68
O=C(C1COC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608725	1	38	-1.0	-49.88	302.59	4.22	-45.66
O=C(C1=COC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608726	0	36	-1.0	-49.46	299.27	4.96	-44.50
O=C(C1=COC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608726	1	36	-1.0	-49.45	299.32	4.99	-44.46
O=C(C=CC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608727	0	41	-1.0	-37.07	321.63	3.93	-33.14
O=C(C=CC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608727	1	41	-1.0	-37.09	321.69	3.96	-33.13
O=C(C1=CC=NC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608728	0	38	-1.0	-43.35	312.17	4.92	-38.43
O=C(C1=CC=NC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608728	1	38	-1.0	-43.41	312.23	4.94	-38.47
CC1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608729	0	36	-1.0	-48.77	294.14	2.82	-45.95
CC1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608729	1	36	-1.0	-48.77	294.20	2.85	-45.92
CSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608730	0	34	-1.0	-43.43	294.46	3.81	-39.62
CSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608730	1	34	-1.0	-43.42	294.52	3.84	-39.58
CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608731	0	42	-1.0	-36.82	331.46	6.58	-30.24
CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608731	1	42	-1.0	-36.79	331.52	6.60	-30.19
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608732	0	36	-1.0	-49.76	293.77	3.04	-46.72
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608732	1	36	-1.0	-49.74	293.71	3.02	-46.72
COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608733	0	35	-1.0	-44.30	291.57	-0.94	-45.24
COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608733	1	35	-1.0	-44.29	291.52	-0.96	-45.25
CCCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608734	0	39	-1.0	-49.27	312.26	4.40	-44.87
CCCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608734	1	39	-1.0	-49.28	312.32	4.42	-44.86
CC(C)(C)C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608735	0	37	-1.0	-43.04	292.74	3.21	-39.83
CC(C)(C)C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608735	1	37	-1.0	-43.10	292.79	3.24	-39.86
CN1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608736	1	41	-1.0	-46.02	306.06	2.39	-43.63
CN1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608736	1	41	-1.0	-45.98	306.12	2.42	-43.56
O=C(C(O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608737	0	37	-1.0	-46.28	296.80	3.12	-43.16
O=C(C(O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608737	1	37	-1.0	-46.31	296.86	3.14	-43.17
CCCCCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608738	0	45	-1.0	-50.20	351.35	3.94	-46.26
CCCCCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608738	1	45	-1.0	-50.21	351.41	3.96	-46.25
O=C(CC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608739	0	40	-1.0	-46.34	305.54	3.33	-43.01
O=C(CC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608739	1	40	-1.0	-46.35	305.60	3.36	-42.99
CC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608740	0	35	-1.0	-45.88	283.12	3.24	-42.64
CC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608740	1	35	-1.0	-45.90	283.18	3.27	-42.63
CSCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608741	0	36	-1.0	-43.65	297.04	4.14	-39.51
CSCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608741	1	36	-1.0	-43.64	297.10	4.17	-39.47
CC1=CC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004608742	0	36	-1.0	-66.69	300.55	2.85	-63.84
CC1=CC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004608742	1	36	-1.0	-66.72	300.60	2.87	-63.85
CC1=CC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608743	0	35	-1.0	-44.53	285.18	3.22	-41.31
CC1=CC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608743	1	35	-1.0	-44.59	285.24	3.25	-41.34
CCN1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608744	0	42	-1.0	-38.29	319.32	1.79	-36.50
CCN1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608744	1	42	-1.0	-38.30	319.37	1.82	-36.48
CC1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608745	0	42	-1.0	-35.82	316.16	5.47	-30.35
CC1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608745	1	42	-1.0	-35.80	316.22	5.49	-30.31
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CO1	REAL250004608746	0	38	-1.0	-41.47	305.67	2.56	-38.91
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CO1	REAL250004608746	1	38	-1.0	-41.41	305.62	2.53	-38.88
CN(C)C(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608747	0	42	-1.0	-59.42	333.57	3.53	-55.89
CN(C)C(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608747	1	42	-1.0	-59.44	333.63	3.55	-55.89
O=C(COC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608748	0	41	-1.0	-51.15	322.36	3.09	-48.06
O=C(COC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608748	1	41	-1.0	-51.16	322.42	3.11	-48.05
CCCCC(CC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608749	0	47	-1.0	-45.67	352.17	6.64	-39.03
CCCCC(CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608749	1	47	-1.0	-45.68	352.23	6.67	-39.01
CC(C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608750	0	38	-1.0	-46.00	289.88	4.17	-41.83
CC(C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608750	1	38	-1.0	-46.02	289.94	4.19	-41.83
O=C(C1CCSCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608751	0	37	-1.0	-45.88	295.58	4.53	-41.35
O=C(C1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608751	1	37	-1.0	-45.89	295.64	4.55	-41.34
CC(C)N1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608752	0	39	-1.0	-43.65	312.89	4.22	-39.43
CC(C)N1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608752	1	39	-1.0	-43.63	312.84	4.19	-39.44
CC1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608753	0	45	-1.0	-46.36	335.35	6.33	-40.03
CC1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608753	1	45	-1.0	-46.37	335.40	6.36	-40.01
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004608754	0	41	-1.0	-46.03	292.74	4.46	-41.57
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004608754	1	41	-1.0	-46.05	292.79	4.49	-41.56
CC(CC1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608755	0	45	-1.0	-46.69	334.09	6.18	-40.51
CC(CC1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608755	1	45	-1.0	-46.74	334.15	6.21	-40.53
O=C(CCC1CCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608756	0	43	-1.0	-46.30	330.67	4.37	-41.93
O=C(CCC1CCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608756	1	43	-1.0	-46.29	330.73	4.39	-41.90
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004608757	0	33	-1.0	-40.35	285.75	3.88	-36.47
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004608757	1	33	-1.0	-40.32	285.69	3.85	-36.47
CC(C)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608758	0	38	-1.0	-40.28	308.41	3.92	-36.36
CC(C)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608758	1	38	-1.0	-40.27	308.47	3.94	-36.33
COC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608759	0	36	-1.0	-49.60	270.89	2.41	-47.19
COC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608759	1	36	-1.0	-49.60	270.95	2.43	-47.17
O=C(CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608760	0	35	-1.0	-49.77	289.56	3.68	-46.09
O=C(CC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608760	1	35	-1.0	-49.76	289.50	3.65	-46.11
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004608762	0	35	-1.0	-54.33	290.82	3.63	-50.70
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004608762	1	35	-1.0	-54.35	290.87	3.66	-50.69
O=C(CC1(O)CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608763	0	43	-1.0	-49.82	321.52	3.67	-46.15
O=C(CC1(O)CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608763	1	43	-1.0	-49.82	321.57	3.70	-46.12
CC(OC1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608764	0	43	-1.0	-49.56	330.60	5.34	-44.22
CC(OC1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608764	1	43	-1.0	-49.57	330.66	5.36	-44.21
O=C(C1CC2CCC1O2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608765	0	38	-1.0	-50.65	289.20	2.72	-47.93
O=C(C1CC2CCC1O2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608765	1	38	-1.0	-50.63	289.26	2.75	-47.88
NC1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608766	0	33	-1.0	-41.45	277.97	-0.32	-41.77
NC1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608766	1	33	-1.0	-41.48	277.91	-0.35	-41.83
CC(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608767	0	38	-1.0	-58.84	308.55	6.22	-52.62
CC(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608767	1	38	-1.0	-58.87	308.61	6.25	-52.62
O=C(NC1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608768	0	34	-1.0	-39.87	281.03	0.87	-39.00
O=C(NC1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608768	1	34	-1.0	-39.91	281.09	0.89	-39.02
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C	REAL250004608769	0	35	-1.0	-47.33	283.75	1.83	-45.50
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C	REAL250004608769	1	35	-1.0	-47.28	283.81	1.86	-45.42
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL250004608770	0	36	-1.0	-36.55	301.05	5.00	-31.55
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL250004608770	1	36	-1.0	-36.56	301.11	5.03	-31.53
CC(C)(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608771	0	41	-1.0	-46.03	311.42	4.94	-41.09
CC(C)(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608771	1	41	-1.0	-46.00	311.48	4.97	-41.03
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608772	0	34	-1.0	-39.89	276.67	3.48	-36.41
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608772	1	34	-1.0	-39.91	276.72	3.51	-36.40
O=C(C1=CC=C(Cl)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608773	0	32	-1.0	-38.86	281.62	4.00	-34.86
O=C(C1=CC=C(Cl)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608773	1	32	-1.0	-38.89	281.56	3.97	-34.92
O=C(CC1(O)CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608774	0	40	-1.0	-44.88	303.96	2.80	-42.08
O=C(CC1(O)CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608774	1	40	-1.0	-44.94	304.02	2.82	-42.12
O=C(C1CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608775	0	37	-1.0	-45.72	299.01	5.91	-39.81
O=C(C1CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608775	1	37	-1.0	-45.76	299.07	5.94	-39.82
CC1=CC=CC(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608776	0	42	-1.0	-46.65	331.07	6.48	-40.17
CC1=CC=CC(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608776	1	42	-1.0	-46.63	331.13	6.50	-40.13
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC=C1	REAL250004608777	0	36	-1.0	-45.89	301.22	4.80	-41.09
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC=C1	REAL250004608777	1	36	-1.0	-45.89	301.27	4.82	-41.07
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CO1	REAL250004608778	0	35	-1.0	-41.46	285.27	1.91	-39.55
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CO1	REAL250004608778	1	35	-1.0	-41.46	285.21	1.88	-39.58
O=C(C1=NC=CN2C=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608780	0	35	-1.0	-48.09	294.56	3.81	-44.28
O=C(C1=NC=CN2C=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608780	1	35	-1.0	-48.09	294.51	3.78	-44.31
CCCCSCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608781	0	42	-1.0	-43.94	343.88	6.17	-37.77
CCCCSCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608781	1	42	-1.0	-43.93	343.94	6.20	-37.73
O=C(C=CC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608782	0	43	-1.0	-36.50	330.68	6.33	-30.17
O=C(C=CC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608782	1	43	-1.0	-36.51	330.73	6.35	-30.16
CC1CCC(=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608783	0	43	-1.0	-45.45	325.03	6.13	-39.32
CC1CCC(=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608783	1	43	-1.0	-45.46	325.09	6.15	-39.31
CSCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608784	0	39	-1.0	-46.30	322.39	5.24	-41.06
CSCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608784	1	39	-1.0	-46.29	322.45	5.27	-41.02
O=C(CC1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608785	0	37	-1.0	-48.53	289.06	2.52	-46.01
O=C(CC1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608785	1	37	-1.0	-48.50	289.11	2.55	-45.95
O=C(CC1=NNC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608786	0	33	-1.0	-53.59	273.74	1.88	-51.71
O=C(CC1=NNC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608786	1	33	-1.0	-53.61	273.80	1.91	-51.70
CCOC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608787	0	39	-1.0	-44.78	314.78	4.56	-40.22
CCOC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608787	1	39	-1.0	-44.80	314.84	4.59	-40.21
O=C(C1=CCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608788	0	35	-1.0	-44.46	278.38	3.29	-41.17
O=C(C1=CCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608788	1	35	-1.0	-44.44	278.44	3.31	-41.13
CC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608789	0	42	-1.0	-45.67	316.22	5.47	-40.20
CC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608789	1	42	-1.0	-45.68	316.27	5.50	-40.18
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004608791	0	35	-1.0	-42.87	291.65	0.34	-42.53
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004608791	1	35	-1.0	-42.86	291.60	0.32	-42.54
O=C(C1=CC=NC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608792	0	32	-1.0	-48.00	271.72	2.78	-45.22
O=C(C1=CC=NC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608792	1	32	-1.0	-47.97	271.67	2.75	-45.22
CCC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004608793	0	42	-1.0	-47.59	337.56	6.88	-40.71
CCC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004608793	1	42	-1.0	-47.60	337.61	6.90	-40.70
O=C(C(O)C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608795	0	41	-1.0	-44.47	305.36	0.66	-43.81
O=C(C(O)C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608795	1	41	-1.0	-44.47	305.42	0.69	-43.78
O=C(C1CCCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608797	0	45	-1.0	-45.02	314.22	5.57	-39.45
O=C(C1CCCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608797	1	45	-1.0	-45.04	314.28	5.60	-39.44
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004608798	0	36	-1.0	-48.91	294.51	4.07	-44.84
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004608798	1	36	-1.0	-48.89	294.57	4.10	-44.79
CC1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608799	0	36	-1.0	-43.63	297.75	5.16	-38.47
CC1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608799	1	36	-1.0	-43.62	297.81	5.18	-38.44
CC1CCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608800	0	43	-1.0	-46.12	333.86	4.34	-41.78
CC1CCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608800	1	43	-1.0	-46.12	333.92	4.36	-41.76
CCC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608801	0	41	-1.0	-44.86	302.10	4.84	-40.02
CCC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608801	1	41	-1.0	-44.87	302.16	4.87	-40.00
O=C(C1CCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608802	0	34	-1.0	-45.15	278.11	4.06	-41.09
O=C(C1CCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608802	1	34	-1.0	-45.13	278.16	4.08	-41.05
COCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004608803	0	36	-1.0	-43.91	301.32	2.17	-41.74
COCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004608803	1	36	-1.0	-43.91	301.38	2.19	-41.72
O=C(C1=CC=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608804	0	32	-1.0	-45.90	280.64	3.17	-42.73
O=C(C1=CC=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608804	1	32	-1.0	-45.91	280.58	3.14	-42.77
O=C(CCC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608805	0	43	-1.0	-47.98	328.02	4.04	-43.94
O=C(CCC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608805	1	43	-1.0	-47.97	328.08	4.07	-43.90
CC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608806	0	39	-1.0	-50.68	315.58	5.56	-45.12
CC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608806	1	39	-1.0	-50.68	315.63	5.59	-45.09
CN1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608807	0	39	-1.0	-47.61	300.20	0.96	-46.65
CN1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608807	1	39	-1.0	-47.60	300.26	0.98	-46.62
CC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608808	0	35	-1.0	-38.18	286.00	0.75	-37.43
CC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608808	1	35	-1.0	-38.17	286.05	0.77	-37.40
CN(C)C(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608809	0	36	-1.0	-59.65	288.54	3.43	-56.22
CN(C)C(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608809	1	36	-1.0	-59.66	288.60	3.45	-56.21
O=C(CCCC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608810	0	45	-1.0	-46.42	341.86	6.61	-39.81
O=C(CCCC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608810	1	45	-1.0	-46.41	341.92	6.63	-39.78
CCCCCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608811	0	47	-1.0	-45.88	358.61	6.74	-39.14
CCCCCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608811	1	47	-1.0	-45.87	358.67	6.77	-39.10
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL250004608812	0	32	-1.0	-47.02	269.23	3.28	-43.74
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL250004608812	1	32	-1.0	-47.03	269.29	3.31	-43.72
CCCCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608813	0	47	-1.0	-45.73	355.61	6.81	-38.92
CCCCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608813	1	47	-1.0	-45.75	355.67	6.83	-38.92
O=C(C1=CC=CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608814	0	33	-1.0	-46.54	279.99	1.36	-45.18
O=C(C1=CC=CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608814	1	33	-1.0	-46.58	280.05	1.39	-45.19
O=C(CCC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608815	0	39	-1.0	-46.20	304.35	5.30	-40.90
O=C(CCC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608815	1	39	-1.0	-46.18	304.41	5.33	-40.85
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004608816	0	42	-1.0	-35.99	314.87	5.37	-30.62
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004608816	1	42	-1.0	-36.01	314.93	5.40	-30.61
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL250004608817	0	36	-1.0	-39.47	298.08	5.17	-34.30
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL250004608817	1	36	-1.0	-39.45	298.14	5.19	-34.26
NC(=O)C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608818	0	35	-1.0	-58.94	291.19	-0.51	-59.45
NC(=O)C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608818	1	35	-1.0	-58.93	291.24	-0.48	-59.41
CC1=CSC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608819	0	33	-1.0	-45.55	281.42	4.09	-41.46
CC1=CSC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608819	1	33	-1.0	-45.61	281.48	4.12	-41.49
O=C(C1=C2NC=CC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608820	0	37	-1.0	-40.52	302.29	4.47	-36.05
O=C(C1=C2NC=CC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608820	1	37	-1.0	-40.53	302.35	4.50	-36.03
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004608821	0	31	-1.0	-43.72	281.02	3.97	-39.75
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004608821	1	31	-1.0	-43.73	281.08	4.00	-39.73
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608822	0	36	-1.0	-44.52	291.25	4.19	-40.33
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608822	1	36	-1.0	-44.56	291.31	4.21	-40.35
O=C(CCN1C=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608823	0	37	-1.0	-44.19	301.86	5.30	-38.89
O=C(CCN1C=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608823	1	37	-1.0	-44.19	301.91	5.33	-38.86
C=CCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608824	0	40	-1.0	-49.44	324.59	3.83	-45.61
C=CCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608824	1	40	-1.0	-49.48	324.64	3.86	-45.62
CC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608825	0	35	-1.0	-44.39	286.82	3.26	-41.13
CC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608825	1	35	-1.0	-44.39	286.77	3.23	-41.16
O=C(CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608826	0	32	-1.0	-43.95	274.32	3.62	-40.33
O=C(CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608826	1	32	-1.0	-43.88	274.38	3.65	-40.23
O=C(C1CC12CCOCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608827	0	41	-1.0	-46.47	313.11	3.69	-42.78
O=C(C1CC12CCOCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608827	1	41	-1.0	-46.47	313.16	3.71	-42.76
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=N1	REAL250004608828	0	32	-1.0	-38.16	264.23	0.03	-38.13
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=N1	REAL250004608828	1	32	-1.0	-38.14	264.28	0.05	-38.09
CN1CCCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608829	1	41	-1.0	-46.03	306.13	2.41	-43.62
CN1CCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608829	1	41	-1.0	-46.04	306.18	2.44	-43.60
O=C(C1C2CCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608830	0	37	-1.0	-46.43	280.06	4.98	-41.45
O=C(C1C2CCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608830	1	37	-1.0	-46.41	280.12	5.00	-41.41
NC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608831	0	39	-1.0	-60.08	303.50	1.47	-58.61
NC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608831	1	39	-1.0	-60.09	303.55	1.50	-58.59
O=C(CC1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608832	0	45	-1.0	-46.08	326.12	6.12	-39.96
O=C(CC1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608832	1	45	-1.0	-46.08	326.18	6.15	-39.93
N#CC1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608833	0	32	-1.0	-50.72	275.28	3.19	-47.53
N#CC1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608833	1	32	-1.0	-50.71	275.33	3.22	-47.49
O=C(C#CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608834	0	35	-1.0	-45.34	302.46	6.11	-39.23
O=C(C#CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608834	1	35	-1.0	-45.31	302.52	6.14	-39.17
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN(C)N=C1	REAL250004608835	0	39	-1.0	-51.76	315.42	3.66	-48.10
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN(C)N=C1	REAL250004608835	1	39	-1.0	-51.78	315.36	3.64	-48.14
O=C(C1=CN2N=NN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608836	0	34	-1.0	-45.26	290.99	2.71	-42.55
O=C(C1=CN2N=NN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608836	1	34	-1.0	-45.25	290.94	2.69	-42.56
CCCCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608837	0	47	-1.0	-46.55	343.49	5.94	-40.61
CCCCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608837	1	47	-1.0	-46.56	343.55	5.96	-40.60
O=C(CCC1=COC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608838	0	36	-1.0	-46.72	296.80	4.20	-42.52
O=C(CCC1=COC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608838	1	36	-1.0	-46.74	296.86	4.22	-42.52
CC(C)CC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608839	0	44	-1.0	-46.07	311.67	4.81	-41.26
CC(C)CC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608839	1	44	-1.0	-46.09	311.73	4.83	-41.26
O=C(CCC1CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608840	0	43	-1.0	-46.41	327.94	4.04	-42.37
O=C(CCC1CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608840	1	43	-1.0	-46.40	328.00	4.07	-42.33
CC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608841	0	35	-1.0	-47.89	289.20	3.24	-44.65
CC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608841	1	35	-1.0	-47.90	289.15	3.22	-44.68
O=C(C1CSCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608842	0	35	-1.0	-44.70	297.31	4.49	-40.21
O=C(C1CSCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608842	1	35	-1.0	-44.70	297.37	4.52	-40.18
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608843	0	39	-1.0	-47.22	293.31	4.46	-42.76
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608843	1	39	-1.0	-47.25	293.37	4.49	-42.76
CC1(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL250004608844	0	42	-1.0	-45.50	315.40	5.36	-40.14
CC1(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL250004608844	1	42	-1.0	-45.51	315.46	5.39	-40.12
O=C(CCC1=NN=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608845	0	35	-1.0	-49.72	290.06	3.65	-46.07
O=C(CCC1=NN=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608845	1	35	-1.0	-49.69	290.12	3.67	-46.02
CNS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608846	0	34	-1.0	-58.86	291.08	-2.07	-60.93
CNS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608846	1	34	-1.0	-58.89	291.14	-2.04	-60.93
CSC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608847	0	31	-1.0	-38.05	269.18	3.35	-34.70
CSC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608847	1	31	-1.0	-38.02	269.24	3.38	-34.64
O=C(CCC1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608848	0	40	-1.0	-48.15	310.14	3.25	-44.90
O=C(CCC1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608848	1	40	-1.0	-48.15	310.20	3.28	-44.87
N#CC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608849	0	31	-1.0	-36.69	280.39	3.78	-32.91
N#CC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608849	1	31	-1.0	-36.74	280.45	3.80	-32.94
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C(F)F	REAL250004608850	0	29	-1.0	-37.77	255.85	2.81	-34.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)F	REAL250004608850	1	29	-1.0	-37.80	255.90	2.84	-34.96
O=C(CN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608851	0	32	-1.0	-59.60	268.83	1.57	-58.03
O=C(CN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608851	1	32	-1.0	-59.62	268.77	1.55	-58.07
O=C(C1=NC=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608852	0	31	-1.0	-38.25	274.91	3.69	-34.56
O=C(C1=NC=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608852	1	31	-1.0	-38.26	274.86	3.66	-34.60
O=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004608853	0	33	-1.0	-43.69	278.71	2.34	-41.35
O=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004608853	1	33	-1.0	-43.70	278.76	2.36	-41.34
COC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608854	0	34	-1.0	-37.62	290.67	2.74	-34.88
COC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608854	1	34	-1.0	-37.64	290.73	2.77	-34.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1	REAL250004608855	0	34	-1.0	-48.37	274.64	2.98	-45.39
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1	REAL250004608855	1	34	-1.0	-48.35	274.70	3.00	-45.35
CC(C)CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608856	0	47	-1.0	-46.19	359.72	6.85	-39.34
CC(C)CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608856	1	47	-1.0	-46.19	359.77	6.88	-39.31
CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608857	0	39	-1.0	-46.23	318.73	5.18	-41.05
CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608857	1	39	-1.0	-46.25	318.79	5.20	-41.05
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004608858	0	36	-1.0	-44.86	295.23	2.38	-42.48
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004608858	1	36	-1.0	-44.85	295.18	2.36	-42.49
O=C(COC1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608859	0	38	-1.0	-50.17	304.69	2.26	-47.91
O=C(COC1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608859	1	38	-1.0	-50.18	304.75	2.29	-47.89
O=C(C1CC12CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608860	0	40	-1.0	-46.19	307.12	5.70	-40.49
O=C(C1CC12CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608860	1	40	-1.0	-46.16	307.17	5.73	-40.43
O=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004608861	0	32	-1.0	-40.53	282.67	3.23	-37.30
O=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004608861	1	32	-1.0	-40.53	282.72	3.26	-37.27
O=C(C1CC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608862	0	33	-1.0	-44.87	274.22	3.89	-40.98
O=C(C1CC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608862	1	33	-1.0	-44.86	274.28	3.91	-40.95
O=C(C1=CC(=O)NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608863	0	33	-1.0	-52.70	279.95	1.55	-51.15
O=C(C1=CC(=O)NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608863	1	33	-1.0	-52.69	280.01	1.57	-51.12
CCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608864	0	39	-1.0	-46.89	306.23	5.00	-41.89
CCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608864	1	39	-1.0	-46.87	306.29	5.02	-41.85
CCC(CC)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608865	0	44	-1.0	-47.36	310.88	4.61	-42.75
CCC(CC)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608865	1	44	-1.0	-47.38	310.94	4.63	-42.75
COCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608866	0	43	-1.0	-46.58	326.98	3.54	-43.04
COCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608866	1	43	-1.0	-46.58	327.04	3.56	-43.02
CC1=NNC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608867	0	36	-1.0	-50.96	296.50	2.34	-48.62
CC1=NNC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608867	1	36	-1.0	-50.93	296.56	2.37	-48.56
CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608868	0	34	-1.0	-48.72	277.96	4.15	-44.57
CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608868	1	34	-1.0	-48.74	278.02	4.18	-44.56
COCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608869	0	39	-1.0	-48.31	305.82	2.94	-45.37
COCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608869	1	39	-1.0	-48.33	305.88	2.96	-45.37
O=C(CC1CCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608870	0	40	-1.0	-49.12	308.77	4.35	-44.77
O=C(CC1CCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608870	1	40	-1.0	-49.13	308.83	4.37	-44.76
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004608871	0	37	-1.0	-44.26	283.21	2.76	-41.50
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004608871	1	37	-1.0	-44.26	283.27	2.78	-41.48
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL250004608872	0	37	-1.0	-49.22	284.80	1.76	-47.46
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL250004608872	1	37	-1.0	-49.21	284.86	1.79	-47.42
CC(C)N1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608874	0	39	-1.0	-44.58	308.94	3.79	-40.79
CC(C)N1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608874	1	39	-1.0	-44.58	308.88	3.77	-40.81
O=C(CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608875	0	35	-1.0	-49.77	289.56	3.68	-46.09
O=C(CC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608875	1	35	-1.0	-49.76	289.50	3.65	-46.11
O=C(CC1=CC=C(O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608876	0	37	-1.0	-49.76	305.69	2.58	-47.18
O=C(CC1=CC=C(O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608876	1	37	-1.0	-49.81	305.75	2.61	-47.20
CC1=CC=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608877	0	39	-1.0	-46.04	313.28	5.68	-40.36
CC1=CC=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608877	1	39	-1.0	-46.04	313.34	5.71	-40.33
O=C(C1CCNC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608879	0	37	-1.0	-48.46	292.95	0.93	-47.53
O=C(C1CCNC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608879	1	37	-1.0	-48.48	293.01	0.95	-47.53
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608880	0	45	-1.0	-45.67	329.49	5.77	-39.90
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608880	1	45	-1.0	-45.64	329.55	5.79	-39.85
COC(=O)C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608881	0	38	-1.0	-43.83	306.62	3.86	-39.97
COC(=O)C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608881	1	38	-1.0	-43.82	306.68	3.88	-39.94
O=C(C(F)=C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608882	0	37	-1.0	-38.52	292.71	5.05	-33.47
O=C(C(F)=C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608882	1	37	-1.0	-38.52	292.77	5.07	-33.45
CCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608883	0	39	-1.0	-45.98	308.55	5.74	-40.24
CCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608883	1	39	-1.0	-45.99	308.61	5.77	-40.22
CCC1(C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608884	0	39	-1.0	-45.94	298.14	5.00	-40.94
CCC1(C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608884	1	39	-1.0	-45.92	298.19	5.02	-40.90
CCCC(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608885	0	39	-1.0	-43.26	297.18	1.31	-41.95
CCCC(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608885	1	39	-1.0	-43.27	297.24	1.34	-41.93
O=C(C1=CC=CC2=NC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608886	0	36	-1.0	-47.41	300.49	4.89	-42.52
O=C(C1=CC=CC2=NC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608886	1	36	-1.0	-47.41	300.55	4.92	-42.49
O=C(C1CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608887	0	37	-1.0	-46.36	291.74	5.14	-41.22
O=C(C1CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608887	1	37	-1.0	-46.35	291.80	5.16	-41.19
CC1=CC=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608888	0	36	-1.0	-48.74	300.09	5.20	-43.54
CC1=CC=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608888	1	36	-1.0	-48.73	300.15	5.23	-43.50
O=C(C1=CN=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608889	0	32	-1.0	-43.10	271.80	2.68	-40.42
O=C(C1=CN=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608889	1	32	-1.0	-43.07	271.74	2.65	-40.42
CCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608890	0	42	-1.0	-47.40	314.97	5.22	-42.18
CCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608890	1	42	-1.0	-47.41	315.03	5.24	-42.17
CCC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC	REAL250004608891	0	39	-1.0	-44.75	302.63	5.23	-39.52
CCC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC	REAL250004608891	1	39	-1.0	-44.72	302.69	5.25	-39.47
CC1=CC(=O)NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608892	0	36	-1.0	-47.18	299.67	2.13	-45.05
CC1=CC(=O)NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608892	1	36	-1.0	-47.18	299.73	2.16	-45.02
N#CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004608894	0	33	-1.0	-60.37	291.01	3.70	-56.67
N#CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004608894	1	33	-1.0	-60.41	290.95	3.67	-56.74
CC1CC(C#N)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608895	0	37	-1.0	-42.44	297.85	4.14	-38.30
CC1CC(C#N)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608895	1	37	-1.0	-42.45	297.91	4.16	-38.29
O=C(C1=CNC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608896	0	37	-1.0	-45.39	302.12	4.22	-41.17
O=C(C1=CNC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608896	1	37	-1.0	-45.37	302.18	4.24	-41.13
CC1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608897	0	42	-1.0	-46.27	318.43	5.71	-40.56
CC1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608897	1	42	-1.0	-46.25	318.49	5.73	-40.52
CCC(CC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608898	0	41	-1.0	-45.84	309.16	5.12	-40.72
CCC(CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608898	1	41	-1.0	-45.84	309.22	5.14	-40.70
CC=C(C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC	REAL250004608899	0	40	-1.0	-46.03	317.50	5.64	-40.39
CC=C(C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC	REAL250004608899	1	40	-1.0	-46.07	317.56	5.66	-40.41
CC1CCC(=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004608900	0	40	-1.0	-46.19	309.86	5.67	-40.52
CC1CCC(=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608900	1	40	-1.0	-46.20	309.92	5.70	-40.50
CC(C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608901	0	39	-1.0	-46.41	296.11	4.56	-41.85
CC(C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608901	1	39	-1.0	-46.38	296.16	4.58	-41.80
O=C(C1CCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608902	0	34	-1.0	-46.90	273.30	3.83	-43.07
O=C(C1CCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608902	1	34	-1.0	-46.93	273.36	3.86	-43.07
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)=C1CCCC1	REAL250004608903	0	40	-1.0	-47.56	302.95	5.37	-42.19
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)=C1CCCC1	REAL250004608903	1	40	-1.0	-47.55	303.00	5.40	-42.15
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCCCC1	REAL250004608904	0	40	-1.0	-45.03	295.59	2.03	-43.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCCCC1	REAL250004608904	1	40	-1.0	-45.03	295.65	2.06	-42.97
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCCC1	REAL250004608905	0	37	-1.0	-35.45	279.56	1.31	-34.14
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCCC1	REAL250004608905	1	37	-1.0	-35.43	279.61	1.34	-34.09
COCC(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608906	0	37	-1.0	-42.27	291.17	-0.75	-43.02
COCC(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608906	1	37	-1.0	-42.26	291.23	-0.72	-42.98
O=C(CC1CCSCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608907	0	40	-1.0	-46.51	314.46	5.41	-41.10
O=C(CC1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608907	1	40	-1.0	-46.52	314.52	5.43	-41.09
CCOC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004608908	0	45	-1.0	-47.16	342.21	5.16	-42.00
CCOC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004608908	1	45	-1.0	-47.18	342.27	5.18	-42.00
CN1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608909	0	33	-1.0	-45.60	272.44	4.54	-41.06
CN1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608909	1	33	-1.0	-45.58	272.38	4.52	-41.06
COC(=O)CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608910	0	38	-1.0	-43.67	305.70	3.66	-40.01
COC(=O)CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608910	1	38	-1.0	-43.67	305.76	3.68	-39.99
CC1=C(C)OC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608911	0	36	-1.0	-39.48	294.17	4.14	-35.34
CC1=C(C)OC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608911	1	36	-1.0	-39.50	294.23	4.17	-35.33
C=CCC(CC=C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608912	0	40	-1.0	-46.75	313.55	5.17	-41.58
C=CCC(CC=C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608912	1	40	-1.0	-46.74	313.61	5.20	-41.54
CCC[C@@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608913	0	41	-1.0	-56.86	318.96	0.54	-56.32
CCC[C@@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608913	1	41	-1.0	-56.89	319.02	0.57	-56.32
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004608914	0	37	-1.0	-46.34	296.38	3.90	-42.44
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004608914	1	37	-1.0	-46.34	296.43	3.93	-42.41
CCC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608915	0	40	-1.0	-50.45	308.94	4.43	-46.02
CCC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608915	1	40	-1.0	-50.40	309.00	4.45	-45.95
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004608916	0	42	-1.0	-47.10	303.57	4.91	-42.19
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004608916	1	42	-1.0	-47.09	303.62	4.93	-42.16
CC(C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608917	0	45	-1.0	-47.32	328.85	5.59	-41.73
CC(C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608917	1	45	-1.0	-47.35	328.90	5.62	-41.73
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL250004608918	0	36	-1.0	-50.96	296.99	5.14	-45.82
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL250004608918	1	36	-1.0	-50.94	297.05	5.16	-45.78
O=C(C(C1CC1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608919	0	40	-1.0	-45.88	314.04	5.87	-40.01
O=C(C(C1CC1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608919	1	40	-1.0	-45.88	314.10	5.90	-39.98
CSCCC(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608920	0	37	-1.0	-46.17	306.52	2.11	-44.06
CSCCC(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608920	1	37	-1.0	-46.19	306.57	2.14	-44.05
O=C([C@@H](O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608921	0	37	-1.0	-46.27	297.19	3.12	-43.15
O=C([C@@H](O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608921	1	37	-1.0	-46.27	297.24	3.15	-43.12
O=C([C@H](O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608922	0	37	-1.0	-46.29	297.17	3.15	-43.14
O=C([C@H](O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608922	1	37	-1.0	-46.28	297.23	3.18	-43.10
CC(C)(C)C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608923	0	39	-1.0	-44.76	285.91	1.96	-42.80
CC(C)(C)C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608923	1	39	-1.0	-44.71	285.97	1.99	-42.72
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL250004608925	0	42	-1.0	-45.70	334.66	6.34	-39.36
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL250004608925	1	42	-1.0	-45.68	334.72	6.36	-39.32
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004608926	0	32	-1.0	-56.25	273.78	3.06	-53.19
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004608926	1	32	-1.0	-56.23	273.84	3.09	-53.14
CNC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608927	0	35	-1.0	-45.72	288.21	-1.24	-46.96
CNC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608927	1	35	-1.0	-45.72	288.27	-1.22	-46.94
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004608928	0	35	-1.0	-41.50	285.91	4.20	-37.30
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004608928	1	35	-1.0	-41.53	285.85	4.17	-37.36
O=C(C1=CC=C2N=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608929	0	35	-1.0	-42.42	290.41	4.12	-38.30
O=C(C1=CC=C2N=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608929	1	35	-1.0	-42.43	290.47	4.15	-38.28
O=C(C1=CC=C2N=CN=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608929	1	35	-1.0	-46.75	294.37	3.40	-43.35
O=C(C1=CC=C2N=CN=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608929	1	35	-1.0	-46.72	294.43	3.42	-43.30
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608930	0	36	-1.0	-50.22	297.37	4.40	-45.82
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608930	1	36	-1.0	-50.19	297.43	4.43	-45.76
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004608931	0	44	-1.0	-46.12	321.25	5.62	-40.50
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004608931	1	44	-1.0	-46.12	321.31	5.65	-40.47
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004608932	0	38	-1.0	-42.73	309.94	4.52	-38.21
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004608932	1	38	-1.0	-42.73	309.99	4.54	-38.19
CCC(C)C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608933	0	39	-1.0	-44.97	292.97	2.23	-42.74
CCC(C)C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608933	1	39	-1.0	-45.00	293.03	2.26	-42.74
NC(=O)NC(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608934	0	36	-1.0	-42.73	295.17	-5.34	-48.07
NC(=O)NC(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608934	1	36	-1.0	-42.70	295.23	-5.31	-48.01
CN1CCOCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608935	0	39	-1.0	-44.80	298.60	0.02	-44.78
CN1CCOCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608935	1	39	-1.0	-44.82	298.65	0.04	-44.78
CC(C)N1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608936	0	40	-1.0	-46.40	313.01	5.29	-41.11
CC(C)N1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608936	1	40	-1.0	-46.36	313.07	5.31	-41.05
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004608937	0	41	-1.0	-50.17	318.27	4.62	-45.55
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004608937	1	41	-1.0	-50.16	318.33	4.65	-45.51
O=C(C1=CN=C2C=CC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608938	0	36	-1.0	-49.04	293.09	4.69	-44.35
O=C(C1=CN=C2C=CC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608938	1	36	-1.0	-49.08	293.04	4.66	-44.42
CCCC(CCC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608939	0	44	-1.0	-46.72	327.17	5.49	-41.23
CCCC(CCC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608939	1	44	-1.0	-46.77	327.23	5.51	-41.26
CC1CC(=O)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608940	0	41	-1.0	-50.52	316.62	4.42	-46.10
CC1CC(=O)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608940	1	41	-1.0	-50.48	316.67	4.45	-46.03
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004608941	0	45	-1.0	-45.10	322.51	5.98	-39.12
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004608941	1	45	-1.0	-45.10	322.57	6.01	-39.09
CC1=NN=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608942	0	34	-1.0	-44.80	280.23	2.21	-42.59
CC1=NN=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608942	1	34	-1.0	-44.83	280.29	2.23	-42.60
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCSCC1	REAL250004608943	0	38	-1.0	-34.34	294.11	1.84	-32.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCSCC1	REAL250004608943	1	38	-1.0	-34.32	294.17	1.87	-32.45
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004608944	0	38	-1.0	-46.47	300.23	3.52	-42.95
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004608944	1	38	-1.0	-46.42	300.29	3.54	-42.88
CCN1CCOCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608945	0	42	-1.0	-44.91	317.31	0.80	-44.11
CCN1CCOCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608945	1	42	-1.0	-44.91	317.37	0.83	-44.08
COCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608946	0	39	-1.0	-44.32	296.10	2.30	-42.02
COCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608946	1	39	-1.0	-44.33	296.15	2.33	-42.00
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL250004608947	0	43	-1.0	-46.36	322.02	3.60	-42.76
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL250004608947	1	43	-1.0	-46.34	322.07	3.63	-42.71
O=C(CN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608949	0	39	-1.0	-46.92	301.15	0.39	-46.53
O=C(CN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608949	1	39	-1.0	-46.90	301.21	0.41	-46.49
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL250004608950	0	37	-1.0	-48.94	303.48	2.58	-46.36
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL250004608950	1	37	-1.0	-48.91	303.54	2.60	-46.31
O=C(C1=CC=C(O)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608951	0	35	-1.0	-40.70	292.02	-0.98	-41.68
O=C(C1=CC=C(O)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608951	1	35	-1.0	-40.66	292.07	-0.95	-41.61
O=C(C1=CC(F)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608952	0	34	-1.0	-46.67	287.45	1.95	-44.72
O=C(C1=CC(F)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608952	1	34	-1.0	-46.70	287.51	1.97	-44.73
CSC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608953	0	36	-1.0	-48.22	295.24	4.28	-43.94
CSC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608953	1	36	-1.0	-48.25	295.30	4.30	-43.95
CN1C(=O)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608954	0	36	-1.0	-45.42	297.45	3.01	-42.41
CN1C(=O)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608954	1	36	-1.0	-45.49	297.50	3.04	-42.45
NC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608955	0	36	-1.0	-58.83	295.13	-1.04	-59.87
NC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608955	1	36	-1.0	-58.81	295.18	-1.01	-59.82
CN1C=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004608956	0	36	-1.0	-58.78	303.34	3.84	-54.94
CN1C=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004608956	1	36	-1.0	-58.78	303.40	3.87	-54.91
CCC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608957	0	38	-1.0	-47.63	306.97	4.16	-43.47
CCC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608957	1	38	-1.0	-47.66	306.92	4.13	-43.53
COCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608958	0	40	-1.0	-46.67	318.40	3.30	-43.37
COCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608958	1	40	-1.0	-46.67	318.45	3.32	-43.35
CCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004608959	0	38	-1.0	-46.57	310.93	2.96	-43.61
CCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004608959	1	38	-1.0	-46.54	310.88	2.93	-43.61
CC1=CC(F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608960	0	36	-1.0	-43.54	295.31	5.09	-38.45
CC1=CC(F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608960	1	36	-1.0	-43.50	295.37	5.12	-38.38
CCC(SC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608961	0	36	-1.0	-48.01	290.81	3.96	-44.05
CCC(SC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608961	1	36	-1.0	-47.98	290.87	3.98	-44.00
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=C1	REAL250004608962	0	37	-1.0	-45.57	297.74	4.90	-40.67
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=C1	REAL250004608962	1	37	-1.0	-45.61	297.80	4.93	-40.68
CC(=O)CCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608963	0	43	-1.0	-56.96	323.70	4.29	-52.67
CC(=O)CCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608963	1	43	-1.0	-56.94	323.75	4.31	-52.63
CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004608964	1	41	-1.0	-47.15	308.95	2.93	-44.22
CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004608964	1	41	-1.0	-47.15	309.00	2.95	-44.20
O=C(C1=C(C2CC2)ON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608965	0	36	-1.0	-43.03	298.47	4.30	-38.73
O=C(C1=C(C2CC2)ON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608965	1	36	-1.0	-43.01	298.52	4.32	-38.69
O=C(C1=CC2=NC=CN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608966	0	36	-1.0	-48.46	300.91	5.16	-43.30
O=C(C1=CC2=NC=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608966	1	36	-1.0	-48.48	300.97	5.18	-43.30
CC(=O)C(C)(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608967	0	43	-1.0	-55.98	330.84	4.70	-51.28
CC(=O)C(C)(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608967	1	43	-1.0	-56.01	330.90	4.72	-51.29
C=CC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608968	0	37	-1.0	-56.56	307.64	1.32	-55.24
C=CC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608968	1	37	-1.0	-56.61	307.69	1.34	-55.27
CC1(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608969	0	40	-1.0	-49.41	311.88	4.61	-44.80
CC1(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608969	1	40	-1.0	-49.41	311.94	4.64	-44.77
O=C(C1CCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608970	0	37	-1.0	-49.15	284.07	3.59	-45.56
O=C(C1CCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608970	1	37	-1.0	-49.12	284.13	3.61	-45.51
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004608971	0	34	-1.0	-35.93	289.80	-0.47	-36.40
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004608971	1	34	-1.0	-35.94	289.86	-0.44	-36.38
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004608972	0	37	-1.0	-46.79	283.63	4.71	-42.08
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608972	1	37	-1.0	-46.78	283.69	4.74	-42.04
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(=O)N1	REAL250004608973	0	36	-1.0	-46.48	296.42	1.97	-44.51
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(=O)N1	REAL250004608973	1	36	-1.0	-46.51	296.48	1.99	-44.52
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004608974	0	34	-1.0	-44.50	282.50	0.09	-44.41
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004608974	1	34	-1.0	-44.50	282.56	0.11	-44.39
CC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004608975	0	38	-1.0	-56.23	311.21	4.82	-51.41
CC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004608975	1	38	-1.0	-56.25	311.27	4.84	-51.41
CCC(C)OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608976	0	39	-1.0	-49.31	310.30	4.36	-44.95
CCC(C)OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608976	1	39	-1.0	-49.30	310.36	4.39	-44.91
CC(C)C(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608977	0	39	-1.0	-49.76	300.91	2.33	-47.43
CC(C)C(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608977	1	39	-1.0	-49.71	300.97	2.36	-47.35
O=C(CC1COC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608979	0	36	-1.0	-50.87	291.62	3.65	-47.22
O=C(CC1COC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608979	1	36	-1.0	-50.81	291.67	3.68	-47.13
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=N1	REAL250004608980	0	34	-1.0	-43.54	281.38	3.91	-39.63
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=N1	REAL250004608980	1	34	-1.0	-43.51	281.43	3.94	-39.57
O=C(CC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608982	0	33	-1.0	-49.72	275.45	3.59	-46.13
O=C(CC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608982	1	33	-1.0	-49.73	275.51	3.61	-46.12
O=C(C1=CC2=C(C=CO2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608983	0	34	-1.0	-46.88	281.24	2.97	-43.91
O=C(C1=CC2=C(C=CO2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608983	1	34	-1.0	-46.91	281.30	2.99	-43.92
CCCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608984	0	39	-1.0	-50.19	308.35	2.38	-47.81
CCCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608984	1	39	-1.0	-50.24	308.41	2.40	-47.84
O=C(C1=CC2=CN=CN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608985	0	36	-1.0	-41.58	301.73	6.06	-35.52
O=C(C1=CC2=CN=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608985	1	36	-1.0	-41.57	301.79	6.09	-35.48
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL250004608986	0	35	-1.0	-41.59	294.63	3.80	-37.79
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL250004608986	1	35	-1.0	-41.60	294.69	3.83	-37.77
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL250004608987	0	35	-1.0	-44.92	295.34	2.92	-42.00
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL250004608987	1	35	-1.0	-44.89	295.40	2.94	-41.95
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004608988	0	32	-1.0	-43.82	275.37	3.03	-40.79
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004608988	1	32	-1.0	-43.81	275.43	3.06	-40.75
O=C(C1=C2NC=NC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608989	0	36	-1.0	-41.70	296.91	4.10	-37.60
O=C(C1=C2NC=NC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608989	1	36	-1.0	-41.71	296.96	4.13	-37.58
CCOC=C(C#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608990	0	35	-1.0	-45.04	301.06	2.89	-42.15
CCOC=C(C#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608990	1	35	-1.0	-45.03	301.12	2.91	-42.12
O=C(CCCN1C=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608991	0	40	-1.0	-51.28	323.35	6.12	-45.16
O=C(CCCN1C=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608991	1	40	-1.0	-51.27	323.41	6.14	-45.13
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CC1)C2	REAL250004608992	0	40	-1.0	-36.49	295.43	4.96	-31.53
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CC1)C2	REAL250004608992	1	40	-1.0	-36.44	295.49	4.98	-31.46
O=C(COCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608993	0	33	-1.0	-53.28	288.84	3.27	-50.01
O=C(COCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608993	1	33	-1.0	-53.25	288.90	3.29	-49.96
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004608995	0	35	-1.0	-41.04	289.58	1.79	-39.25
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004608995	1	35	-1.0	-41.06	289.64	1.82	-39.24
O=C(C1=NC2=NNN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608996	0	34	-1.0	-45.44	284.70	1.80	-43.64
O=C(C1=NC2=NNN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608996	1	34	-1.0	-45.50	284.75	1.82	-43.68
CC1=CC=NC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608997	0	39	-1.0	-40.69	316.23	4.69	-36.00
CC1=CC=NC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608997	1	39	-1.0	-40.72	316.29	4.71	-36.01
COC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608999	0	38	-1.0	-55.18	311.64	4.05	-51.13
COC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608999	1	38	-1.0	-55.18	311.70	4.07	-51.11
O=C(C1=CC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609000	0	32	-1.0	-39.07	271.28	3.58	-35.49
O=C(C1=CC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609000	1	32	-1.0	-39.11	271.22	3.55	-35.56
O=C(C1=CC=NC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609001	0	39	-1.0	-37.93	314.46	4.69	-33.24
O=C(C1=CC=NC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609001	1	39	-1.0	-38.00	314.52	4.71	-33.29
CCC(C)=C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609002	0	39	-1.0	-45.61	307.05	4.97	-40.64
CCC(C)=C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609002	1	39	-1.0	-45.61	307.11	4.99	-40.62
O=C(CCCCO)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609003	0	36	-1.0	-47.01	289.07	0.66	-46.35
O=C(CCCCO)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609003	1	36	-1.0	-47.02	289.13	0.69	-46.33
CC1=NSC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609004	0	32	-1.0	-43.61	273.99	2.76	-40.85
CC1=NSC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609004	1	32	-1.0	-43.61	274.05	2.78	-40.83
O=C(C1=CC2=NNN=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609005	0	34	-1.0	-45.34	285.52	1.00	-44.34
O=C(C1=CC2=NNN=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609005	1	34	-1.0	-45.29	285.57	1.03	-44.26
O=C(C1CCCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609006	0	37	-1.0	-46.23	296.62	4.71	-41.52
O=C(C1CCCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609006	1	37	-1.0	-46.19	296.68	4.74	-41.45
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL250004609007	0	34	-1.0	-45.12	266.12	1.20	-43.92
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL250004609007	1	34	-1.0	-45.15	266.18	1.23	-43.92
O=C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1CC1	REAL250004609008	0	37	-1.0	-59.03	302.34	3.17	-55.86
O=C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1CC1	REAL250004609008	1	37	-1.0	-59.02	302.40	3.20	-55.82
C#CCNC(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609009	0	35	-1.0	-58.21	298.03	2.84	-55.37
C#CCNC(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609009	1	35	-1.0	-58.24	298.09	2.86	-55.38
CC1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609010	0	39	-1.0	-46.54	292.05	4.69	-41.85
CC1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609010	1	39	-1.0	-46.57	292.11	4.72	-41.85
CC1OCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609011	0	37	-1.0	-45.75	287.35	2.39	-43.36
CC1OCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609011	1	37	-1.0	-45.77	287.40	2.42	-43.35
CCC(C)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609012	0	47	-1.0	-46.21	356.45	6.72	-39.49
CCC(C)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609012	1	47	-1.0	-46.28	356.51	6.75	-39.53
COCCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609013	0	40	-1.0	-51.93	324.43	2.69	-49.24
COCCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609013	1	40	-1.0	-51.90	324.49	2.71	-49.19
CCCCCC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609014	0	47	-1.0	-45.93	356.52	6.59	-39.34
CCCCCC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609014	1	47	-1.0	-45.92	356.57	6.62	-39.30
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004609015	0	43	-1.0	-47.22	307.78	2.95	-44.27
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004609015	1	43	-1.0	-47.26	307.83	2.97	-44.29
O=C(C1=NN(C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609016	0	33	-1.0	-43.72	285.16	2.97	-40.75
O=C(C1=NN(C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609016	1	33	-1.0	-43.70	285.10	2.94	-40.76
O=C(C1CCC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609017	0	35	-1.0	-48.12	276.85	3.92	-44.20
O=C(C1CCC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609017	1	35	-1.0	-48.13	276.90	3.94	-44.19
CC(C)(C)OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609018	0	39	-1.0	-49.10	303.56	3.96	-45.14
CC(C)(C)OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609018	1	39	-1.0	-49.09	303.62	3.98	-45.11
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004609019	0	32	-1.0	-51.17	276.41	2.57	-48.60
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004609019	1	32	-1.0	-51.17	276.47	2.59	-48.58
COCCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609020	0	42	-1.0	-46.10	327.79	3.47	-42.63
COCCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609020	1	42	-1.0	-46.11	327.84	3.49	-42.62
CCC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609021	0	38	-1.0	-40.97	307.72	4.89	-36.08
CCC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609021	1	38	-1.0	-40.97	307.77	4.91	-36.06
CC1=CC=CC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609022	0	42	-1.0	-47.45	328.79	6.50	-40.95
CC1=CC=CC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609022	1	42	-1.0	-47.47	328.84	6.53	-40.94
O=C(C=C1CCSCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609023	0	38	-1.0	-45.47	304.62	5.25	-40.22
O=C(C=C1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609023	1	38	-1.0	-45.44	304.67	5.28	-40.16
CCCC(CCC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609024	0	47	-1.0	-46.28	348.18	6.50	-39.78
CCCC(CCC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609024	1	47	-1.0	-46.30	348.24	6.53	-39.77
O=C(CCCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609025	0	35	-1.0	-49.91	295.78	4.39	-45.52
O=C(CCCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609025	1	35	-1.0	-49.95	295.84	4.41	-45.54
CCCC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CCC	REAL250004609026	0	45	-1.0	-36.33	345.37	6.77	-29.56
CCCC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CCC	REAL250004609026	1	45	-1.0	-36.32	345.42	6.79	-29.53
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL250004609027	0	37	-1.0	-46.13	301.53	2.34	-43.79
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL250004609027	1	37	-1.0	-46.15	301.59	2.37	-43.78
O=C(C1=CC=C2C=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609028	0	36	-1.0	-43.08	295.98	4.55	-38.53
O=C(C1=CC=C2C=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609028	1	36	-1.0	-43.08	296.04	4.58	-38.50
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC=C1	REAL250004609029	0	36	-1.0	-63.19	296.87	2.00	-61.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC=C1	REAL250004609029	1	36	-1.0	-63.16	296.93	2.03	-61.13
CC1=CC(O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609030	0	37	-1.0	-46.78	302.37	2.24	-44.54
CC1=CC(O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609030	1	37	-1.0	-46.78	302.43	2.26	-44.52
CSC(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609031	0	39	-1.0	-46.01	317.16	5.02	-40.99
CSC(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609031	1	39	-1.0	-46.03	317.22	5.04	-40.99
C#CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609032	0	37	-1.0	-46.90	304.94	5.30	-41.60
C#CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609032	1	37	-1.0	-46.95	304.99	5.33	-41.62
O=C(C1=CC=C2C=CC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609033	0	36	-1.0	-57.65	296.00	4.16	-53.49
O=C(C1=CC=C2C=CC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609033	1	36	-1.0	-57.68	295.94	4.13	-53.55
O=C(C1=CC=C(O)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609034	0	34	-1.0	-50.01	286.98	1.66	-48.35
O=C(C1=CC=C(O)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609034	1	34	-1.0	-49.99	287.04	1.68	-48.31
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609035	0	37	-1.0	-49.78	296.76	2.57	-47.21
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609035	1	37	-1.0	-49.82	296.82	2.60	-47.22
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL250004609036	0	37	-1.0	-42.52	301.99	2.96	-39.56
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL250004609036	1	37	-1.0	-42.52	302.05	2.99	-39.53
CCC1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609037	0	39	-1.0	-48.82	315.61	3.55	-45.27
CCC1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609037	1	39	-1.0	-48.82	315.67	3.58	-45.24
O=C(C1=CC2=C(CCC2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609038	0	38	-1.0	-47.15	299.67	4.61	-42.54
O=C(C1=CC2=C(CCC2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609038	1	38	-1.0	-47.15	299.73	4.63	-42.52
CC(Cl)(Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609039	0	29	-1.0	-36.42	260.51	3.22	-33.20
CC(Cl)(Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609039	1	29	-1.0	-36.46	260.56	3.24	-33.22
COCC(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609040	0	40	-1.0	-57.26	325.30	2.66	-54.60
COCC(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609040	1	40	-1.0	-57.25	325.36	2.68	-54.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCSC1	REAL250004609041	0	35	-1.0	-43.38	276.67	1.38	-42.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCSC1	REAL250004609041	1	35	-1.0	-43.37	276.72	1.40	-41.97
O=C(C1SCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609042	0	32	-1.0	-46.63	276.87	3.97	-42.66
O=C(C1SCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609042	1	32	-1.0	-46.65	276.93	4.00	-42.65
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N=N1	REAL250004609043	0	37	-1.0	-44.68	299.85	2.83	-41.85
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N=N1	REAL250004609043	1	37	-1.0	-44.66	299.91	2.86	-41.80
CCOC(=O)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609044	0	41	-1.0	-53.53	317.28	4.97	-48.56
CCOC(=O)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609044	1	41	-1.0	-53.56	317.33	4.99	-48.57
O=C(C1=CNC2=NC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609045	0	35	-1.0	-51.80	294.84	3.41	-48.39
O=C(C1=CNC2=NC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609045	1	35	-1.0	-51.85	294.89	3.44	-48.41
CC1=CN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609046	0	35	-1.0	-49.30	301.37	3.33	-45.97
CC1=CN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609046	1	35	-1.0	-49.33	301.43	3.36	-45.97
CC1(C)CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609047	0	45	-1.0	-45.91	329.92	5.76	-40.15
CC1(C)CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609047	1	45	-1.0	-45.94	329.98	5.78	-40.16
O=C(C1=CC=CC(F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609048	0	32	-1.0	-44.88	271.32	3.45	-41.43
O=C(C1=CC=CC(F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609048	1	32	-1.0	-44.93	271.26	3.43	-41.50
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL250004609049	0	36	-1.0	-53.74	295.67	1.89	-51.85
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL250004609049	1	36	-1.0	-53.71	295.73	1.91	-51.80
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NC=N1	REAL250004609050	0	35	-1.0	-50.05	287.63	4.39	-45.66
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NC=N1	REAL250004609050	1	35	-1.0	-50.09	287.57	4.36	-45.73
O=C([C@@H]1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609051	0	34	-1.0	-50.31	267.28	2.87	-47.44
O=C([C@@H]1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609051	1	34	-1.0	-50.26	267.33	2.90	-47.36
O=C([C@H]1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609052	0	34	-1.0	-50.21	267.22	2.89	-47.32
O=C([C@H]1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609052	1	34	-1.0	-50.19	267.28	2.91	-47.28
COC(=O)N[C@@H](C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609053	0	37	-1.0	-44.19	302.63	0.19	-44.00
COC(=O)N[C@@H](C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609053	1	37	-1.0	-44.17	302.69	0.22	-43.95
N#CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004609054	0	37	-1.0	-51.96	312.74	5.62	-46.34
N#CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004609054	1	37	-1.0	-51.95	312.80	5.64	-46.31
C#CCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609055	0	35	-1.0	-45.76	296.00	3.05	-42.71
C#CCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609055	1	35	-1.0	-45.76	296.06	3.08	-42.68
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004609056	0	45	-1.0	-46.79	317.12	5.37	-41.42
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004609056	1	45	-1.0	-46.78	317.17	5.40	-41.38
C=C(C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)OCC	REAL250004609057	0	43	-1.0	-46.97	342.94	5.26	-41.71
C=C(C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)OCC	REAL250004609057	1	43	-1.0	-46.99	343.00	5.29	-41.70
CC(O)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609058	0	40	-1.0	-49.00	306.73	2.88	-46.12
CC(O)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609058	1	40	-1.0	-48.98	306.78	2.91	-46.07
CCC(CC)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609059	0	44	-1.0	-45.44	322.28	5.24	-40.20
CCC(CC)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609059	1	44	-1.0	-45.48	322.33	5.26	-40.22
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL250004609060	0	40	-1.0	-47.39	307.71	3.25	-44.14
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL250004609060	1	40	-1.0	-47.37	307.77	3.28	-44.09
CC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609061	0	39	-1.0	-35.75	297.41	4.88	-30.87
CC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609061	1	39	-1.0	-35.78	297.46	4.91	-30.87
O=C(C1=CC=C(O)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609062	0	34	-1.0	-44.84	287.67	1.67	-43.17
O=C(C1=CC=C(O)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609062	1	34	-1.0	-44.81	287.72	1.70	-43.11
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004609063	0	45	-1.0	-47.56	315.88	5.31	-42.25
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004609063	1	45	-1.0	-47.52	315.94	5.34	-42.18
O=C(C1=CN=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609064	0	31	-1.0	-43.21	260.16	2.42	-40.79
O=C(C1=CN=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609064	1	31	-1.0	-43.20	260.11	2.40	-40.80
O=C(C1=NC=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609065	0	33	-1.0	-42.96	275.69	1.54	-41.42
O=C(C1=NC=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609065	1	33	-1.0	-42.98	275.75	1.56	-41.42
O=C(C1CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609066	0	38	-1.0	-46.85	297.90	3.13	-43.72
O=C(C1CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609066	1	38	-1.0	-46.80	297.96	3.15	-43.65
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL250004609067	0	35	-1.0	-46.08	286.85	1.11	-44.97
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL250004609067	1	35	-1.0	-46.09	286.79	1.08	-45.01
CCCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609068	0	38	-1.0	-40.93	311.08	2.56	-38.37
CCCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609068	1	38	-1.0	-40.92	311.14	2.59	-38.33
O=C(C1=CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609069	0	35	-1.0	-46.49	281.20	2.37	-44.12
O=C(C1=CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609069	1	35	-1.0	-46.47	281.26	2.40	-44.07
O=C(C1=COC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609070	0	36	-1.0	-41.72	299.17	2.57	-39.15
O=C(C1=COC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609070	1	36	-1.0	-41.69	299.22	2.60	-39.09
CCC(C)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609071	0	41	-1.0	-46.89	294.56	4.11	-42.78
CCC(C)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609071	1	41	-1.0	-46.89	294.62	4.14	-42.75
O=C(C1=CSC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609072	0	30	-1.0	-42.88	270.05	0.29	-42.59
O=C(C1=CSC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609072	1	30	-1.0	-42.89	270.11	0.31	-42.58
CC(C)(O)C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609073	0	36	-1.0	-41.67	288.71	1.73	-39.94
CC(C)(O)C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609073	1	36	-1.0	-41.65	288.76	1.76	-39.89
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL250004609074	0	36	-1.0	-42.72	297.14	2.17	-40.55
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL250004609074	1	36	-1.0	-42.69	297.19	2.20	-40.49
COC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609075	0	36	-1.0	-45.05	292.90	3.65	-41.40
COC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609075	1	36	-1.0	-45.09	292.96	3.67	-41.42
CC#CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609076	0	37	-1.0	-50.09	305.26	5.48	-44.61
CC#CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609076	1	37	-1.0	-50.12	305.32	5.50	-44.62
C#CCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609077	0	37	-1.0	-44.99	287.99	4.20	-40.79
C#CCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609077	1	37	-1.0	-45.03	288.05	4.23	-40.80
O=C(C1=C2C=CC=NN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609078	0	35	-1.0	-51.14	294.03	2.49	-48.65
O=C(C1=C2C=CC=NN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609078	1	35	-1.0	-51.08	293.97	2.47	-48.61
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC1	REAL250004609079	0	37	-1.0	-45.58	277.88	1.81	-43.77
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC1	REAL250004609079	1	37	-1.0	-45.60	277.94	1.84	-43.76
CC(CCC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609080	0	47	-1.0	-45.92	349.35	6.08	-39.84
CC(CCC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609080	1	47	-1.0	-45.90	349.40	6.10	-39.80
COCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609081	0	42	-1.0	-49.00	312.67	2.68	-46.32
COCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609081	1	42	-1.0	-48.98	312.72	2.70	-46.28
O=C(C1C=CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609082	0	37	-1.0	-45.05	283.50	4.59	-40.46
O=C(C1C=CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609082	1	37	-1.0	-45.05	283.56	4.62	-40.43
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609083	0	37	-1.0	-43.06	287.51	2.69	-40.37
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609083	1	37	-1.0	-43.01	287.57	2.72	-40.29
COC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609084	0	33	-1.0	-38.95	278.96	0.08	-38.87
COC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609084	1	33	-1.0	-38.91	278.90	0.06	-38.85
CCOC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609085	0	36	-1.0	-43.89	300.95	0.67	-43.22
CCOC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609085	1	36	-1.0	-43.92	300.89	0.64	-43.28
NC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609086	0	34	-1.0	-46.64	289.75	-0.69	-47.33
NC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609086	1	34	-1.0	-46.64	289.81	-0.66	-47.30
O=C(C=CC1=CC=C(O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609087	0	38	-1.0	-39.43	314.49	3.10	-36.33
O=C(C=CC1=CC=C(O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609087	1	38	-1.0	-39.41	314.54	3.13	-36.28
O=C(CC1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609088	0	37	-1.0	-50.24	305.69	2.58	-47.66
O=C(CC1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609088	1	37	-1.0	-50.24	305.75	2.61	-47.63
O=C(C1=CC=CC2=NNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609089	0	35	-1.0	-42.26	291.63	1.77	-40.49
O=C(C1=CC=CC2=NNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609089	1	35	-1.0	-42.26	291.69	1.80	-40.46
CCNC(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609090	0	36	-1.0	-59.03	292.26	2.34	-56.69
CCNC(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609090	1	36	-1.0	-59.03	292.32	2.36	-56.67
CNC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609091	0	39	-1.0	-59.21	315.80	1.57	-57.64
CNC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609091	1	39	-1.0	-59.20	315.85	1.59	-57.61
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL250004609092	0	45	-1.0	-45.51	302.57	5.46	-40.05
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL250004609092	1	45	-1.0	-45.55	302.63	5.49	-40.06
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL250004609093	0	39	-1.0	-48.36	313.42	4.03	-44.33
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL250004609093	1	39	-1.0	-48.34	313.48	4.06	-44.28
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCOC1	REAL250004609094	0	40	-1.0	-37.59	292.16	2.62	-34.97
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCOC1	REAL250004609094	1	40	-1.0	-37.56	292.22	2.64	-34.92
C#CCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609095	0	40	-1.0	-48.78	326.43	6.08	-42.70
C#CCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609095	1	40	-1.0	-48.81	326.49	6.11	-42.70
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC1	REAL250004609096	0	34	-1.0	-43.35	269.14	0.50	-42.85
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC1	REAL250004609096	1	34	-1.0	-43.36	269.20	0.53	-42.83
CC1CC(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609097	0	45	-1.0	-45.84	337.63	6.09	-39.75
CC1CC(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609097	1	45	-1.0	-45.83	337.68	6.12	-39.71
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609098	0	42	-1.0	-45.85	314.81	5.28	-40.57
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609098	1	42	-1.0	-45.83	314.87	5.31	-40.52
CCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609099	0	39	-1.0	-49.30	315.27	3.80	-45.50
CCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609099	1	39	-1.0	-49.31	315.21	3.78	-45.53
COC(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609100	0	39	-1.0	-46.62	309.40	3.08	-43.54
COC(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609100	1	39	-1.0	-46.64	309.46	3.11	-43.53
O=C(C1=CC=CN=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609101	0	39	-1.0	-46.37	315.88	4.97	-41.40
O=C(C1=CC=CN=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609101	1	39	-1.0	-46.38	315.94	4.99	-41.39
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004609102	0	39	-1.0	-46.68	309.18	5.74	-40.94
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004609102	1	39	-1.0	-46.68	309.23	5.77	-40.91
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004609103	0	39	-1.0	-46.86	310.22	5.81	-41.05
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004609103	1	39	-1.0	-46.89	310.28	5.83	-41.06
CCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL250004609104	0	43	-1.0	-47.17	328.48	4.08	-43.09
CCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL250004609104	1	43	-1.0	-47.15	328.54	4.10	-43.05
CCC(C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609105	0	41	-1.0	-35.68	307.52	4.73	-30.95
CCC(C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609105	1	41	-1.0	-35.68	307.58	4.76	-30.92
CC(C)OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609106	0	42	-1.0	-49.10	331.95	4.00	-45.10
CC(C)OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609106	1	42	-1.0	-49.11	332.01	4.03	-45.08
CN1C(=O)CC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609107	0	37	-1.0	-53.95	297.04	2.70	-51.25
CN1C(=O)CC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609107	1	37	-1.0	-53.94	297.10	2.73	-51.21
O=C(NCC(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609108	0	33	-1.0	-43.11	283.26	0.22	-42.89
O=C(NCC(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609108	1	33	-1.0	-43.11	283.31	0.25	-42.86
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609109	0	40	-1.0	-46.86	305.51	5.02	-41.84
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609109	1	40	-1.0	-46.85	305.57	5.05	-41.80
O=C(C1CC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609110	0	40	-1.0	-46.18	313.39	6.32	-39.86
O=C(C1CC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609110	1	40	-1.0	-46.18	313.44	6.34	-39.84
COC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609111	0	40	-1.0	-49.56	309.12	4.20	-45.36
COC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609111	1	40	-1.0	-49.53	309.17	4.23	-45.30
CC1OCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609112	0	40	-1.0	-36.38	304.68	3.17	-33.21
CC1OCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609112	1	40	-1.0	-36.43	304.74	3.19	-33.24
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004609113	0	41	-1.0	-45.37	318.15	4.48	-40.89
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004609113	1	41	-1.0	-45.38	318.20	4.51	-40.87
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004609114	0	32	-1.0	-57.90	277.30	3.39	-54.51
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004609114	1	32	-1.0	-57.92	277.36	3.41	-54.51
CC(=O)OC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609115	0	36	-1.0	-51.78	300.68	3.92	-47.86
CC(=O)OC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609115	1	36	-1.0	-51.75	300.74	3.95	-47.80
CN(C)C(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609116	0	40	-1.0	-42.34	316.19	2.93	-39.41
CN(C)C(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609116	1	40	-1.0	-42.31	316.25	2.95	-39.36
CC(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609117	0	41	-1.0	-57.53	314.79	5.09	-52.44
CC(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609117	1	41	-1.0	-57.48	314.85	5.12	-52.36
O=C(CCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609118	0	38	-1.0	-46.44	310.25	4.47	-41.97
O=C(CCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609118	1	38	-1.0	-46.49	310.30	4.50	-41.99
O=C(C1=CC(Cl)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609119	0	30	-1.0	-35.57	277.04	3.93	-31.64
O=C(C1=CC(Cl)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609119	1	30	-1.0	-35.57	277.10	3.96	-31.61
O=C(CCC1=CC=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609120	0	37	-1.0	-46.18	305.23	4.27	-41.91
O=C(CCC1=CC=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609120	1	37	-1.0	-46.16	305.29	4.29	-41.87
CCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609122	0	38	-1.0	-45.90	291.14	4.51	-41.39
CCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609122	1	38	-1.0	-45.94	291.20	4.53	-41.41
CC(F)(F)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609123	0	32	-1.0	-52.92	266.58	3.44	-49.48
CC(F)(F)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609123	1	32	-1.0	-52.96	266.64	3.46	-49.50
CCC(C(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609124	0	38	-1.0	-49.26	304.80	3.74	-45.52
CCC(C(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609124	1	38	-1.0	-49.31	304.86	3.77	-45.54
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004609125	0	42	-1.0	-47.07	299.33	4.77	-42.30
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004609125	1	42	-1.0	-47.06	299.39	4.80	-42.26
O=C(C1=CN=CC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609126	0	31	-1.0	-41.56	276.50	2.03	-39.53
O=C(C1=CN=CC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609126	1	31	-1.0	-41.60	276.45	2.00	-39.60
O=C(C1=CSC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609127	0	30	-1.0	-45.12	277.53	4.07	-41.05
O=C(C1=CSC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609127	1	30	-1.0	-45.09	277.59	4.10	-40.99
COC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609128	0	43	-1.0	-37.14	325.70	4.00	-33.14
COC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609128	1	43	-1.0	-37.15	325.75	4.03	-33.12
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC1	REAL250004609129	0	39	-1.0	-45.07	314.12	4.52	-40.55
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CC1	REAL250004609129	1	39	-1.0	-45.08	314.06	4.49	-40.59
O=C(C1=CNC=C(F)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609130	0	33	-1.0	-58.80	277.68	2.28	-56.52
O=C(C1=CNC=C(F)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609130	1	33	-1.0	-58.82	277.74	2.31	-56.51
O=C(CCN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609131	0	35	-1.0	-46.94	290.94	2.21	-44.73
O=C(CCN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609131	1	35	-1.0	-46.92	290.88	2.18	-44.74
O=C(CC1OCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609132	0	38	-1.0	-47.37	299.98	2.84	-44.53
O=C(CC1OCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609132	1	38	-1.0	-47.36	300.04	2.86	-44.50
O=C(CC1OCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609133	0	35	-1.0	-48.02	281.89	1.90	-46.12
O=C(CC1OCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609133	1	35	-1.0	-48.00	281.95	1.93	-46.07
CCN1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609134	0	39	-1.0	-51.61	319.11	4.13	-47.48
CCN1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609134	1	39	-1.0	-51.55	319.05	4.11	-47.44
C=CC(C)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609135	0	39	-1.0	-45.97	290.40	4.12	-41.85
C=CC(C)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609135	1	39	-1.0	-45.99	290.45	4.15	-41.84
CC(C)N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609136	0	39	-1.0	-46.03	312.70	3.56	-42.47
CC(C)N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609136	1	39	-1.0	-46.07	312.64	3.53	-42.54
CCC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609137	0	42	-1.0	-47.05	330.34	6.57	-40.48
CCC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609137	1	42	-1.0	-47.07	330.40	6.60	-40.47
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609138	0	33	-1.0	-45.53	273.41	3.32	-42.21
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609138	1	33	-1.0	-45.53	273.47	3.35	-42.18
O=C(C=CC1=CC=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609139	0	35	-1.0	-48.62	288.59	3.85	-44.77
O=C(C=CC1=CC=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609139	1	35	-1.0	-48.66	288.65	3.87	-44.79
O=C(C1=CC=NC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609140	0	32	-1.0	-49.77	278.18	2.70	-47.07
O=C(C1=CC=NC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609140	1	32	-1.0	-49.75	278.13	2.68	-47.07
O=C(CCC1=CNC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609141	0	36	-1.0	-48.97	295.37	3.78	-45.19
O=C(CCC1=CNC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609141	1	36	-1.0	-48.96	295.43	3.81	-45.15
O=C(CCC1=CN=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609141	1	36	-1.0	-48.18	295.44	3.76	-44.42
O=C(C=CC1=CNC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609142	0	34	-1.0	-46.71	285.33	3.67	-43.04
O=C(C=CC1=CNC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609142	1	34	-1.0	-46.68	285.38	3.69	-42.99
CC(=O)CC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609143	0	43	-1.0	-53.39	323.29	4.96	-48.43
CC(=O)CC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609143	1	43	-1.0	-53.40	323.35	4.98	-48.42
CC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609144	0	37	-1.0	-52.29	300.88	2.21	-50.08
CC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609144	1	37	-1.0	-52.26	300.94	2.24	-50.02
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL250004609145	0	35	-1.0	-38.16	299.90	1.95	-36.21
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL250004609145	1	35	-1.0	-38.15	299.95	1.98	-36.17
O=C(NCC1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609146	0	37	-1.0	-40.81	302.21	1.47	-39.34
O=C(NCC1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609146	1	37	-1.0	-40.81	302.26	1.50	-39.31
C=CC(C)(CCOC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609147	0	43	-1.0	-36.98	317.11	3.38	-33.60
C=CC(C)(CCOC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609147	1	43	-1.0	-36.95	317.16	3.41	-33.54
CC[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609148	0	45	-1.0	-45.77	335.10	6.14	-39.63
CC[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609148	1	45	-1.0	-45.79	335.16	6.17	-39.62
O=C(C1=CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609149	0	37	-1.0	-37.12	287.41	4.68	-32.44
O=C(C1=CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609149	1	37	-1.0	-37.15	287.46	4.71	-32.44
CC(C)C1(C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609150	0	42	-1.0	-45.34	312.83	5.50	-39.84
CC(C)C1(C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609150	1	42	-1.0	-45.33	312.88	5.52	-39.81
O=C(CC1=COC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609151	0	33	-1.0	-48.65	275.41	3.40	-45.25
O=C(CC1=COC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609151	1	33	-1.0	-48.63	275.46	3.42	-45.21
O=C(CC1=CN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609152	0	32	-1.0	-48.75	279.48	2.72	-46.03
O=C(CC1=CN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609152	1	32	-1.0	-48.75	279.43	2.69	-46.06
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL250004609153	0	37	-1.0	-47.47	296.40	1.16	-46.31
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL250004609153	1	37	-1.0	-47.52	296.35	1.13	-46.39
CNC(=O)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609154	0	42	-1.0	-49.91	337.27	2.33	-47.58
CNC(=O)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609154	1	42	-1.0	-49.96	337.32	2.36	-47.60
CC(C)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609155	0	41	-1.0	-46.45	294.48	4.03	-42.42
CC(C)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609155	1	41	-1.0	-46.44	294.54	4.05	-42.39
O=C(C(O)C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609156	0	43	-1.0	-45.32	318.95	3.46	-41.86
O=C(C(O)C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609156	1	43	-1.0	-45.32	319.01	3.49	-41.83
CC1=NNN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609157	0	32	-1.0	-38.50	263.44	0.68	-37.82
CC1=NNN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609157	1	32	-1.0	-38.53	263.49	0.70	-37.83
O=C(C1=C2C=NC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609158	0	35	-1.0	-47.97	293.88	2.45	-45.52
O=C(C1=C2C=NC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609158	1	35	-1.0	-47.98	293.82	2.43	-45.55
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL250004609159	0	37	-1.0	-45.16	289.47	2.49	-42.67
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL250004609159	1	37	-1.0	-45.15	289.52	2.51	-42.64
CN1C=NC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609160	0	39	-1.0	-48.38	316.60	5.36	-43.02
CN1C=NC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609160	1	39	-1.0	-48.42	316.66	5.39	-43.03
CC(C)C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609161	0	35	-1.0	-35.41	277.60	3.64	-31.77
CC(C)C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609161	1	35	-1.0	-35.41	277.65	3.67	-31.74
CC1OC(=O)NC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609162	0	35	-1.0	-39.61	281.16	-0.12	-39.73
CC1OC(=O)NC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609162	1	35	-1.0	-39.66	281.22	-0.09	-39.75
CC(C)(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609163	0	36	-1.0	-44.64	273.84	-0.10	-44.74
CC(C)(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609163	1	36	-1.0	-44.62	273.90	-0.07	-44.69
CCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609164	0	36	-1.0	-44.44	288.73	3.08	-41.36
CCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609164	1	36	-1.0	-44.43	288.67	3.06	-41.37
O=C(C1=CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609165	0	40	-1.0	-37.62	295.47	4.99	-32.63
O=C(C1=CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609165	1	40	-1.0	-37.65	295.53	5.01	-32.64
O=C(C1=C(O)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609166	1	34	-1.0	-52.02	291.29	1.85	-50.17
O=C(C1=C(O)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609166	1	34	-1.0	-51.97	291.35	1.87	-50.10
CC1=CN=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609167	0	38	-1.0	-49.54	311.00	4.30	-45.24
CC1=CN=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609167	1	38	-1.0	-49.58	311.05	4.33	-45.25
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C)C=C1	REAL250004609168	0	37	-1.0	-46.17	302.67	4.63	-41.54
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C)C=C1	REAL250004609168	1	37	-1.0	-46.19	302.73	4.66	-41.53
CC(C)C(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609169	0	39	-1.0	-43.10	289.76	1.39	-41.71
CC(C)C(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609169	1	39	-1.0	-43.05	289.82	1.41	-41.64
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004609170	0	39	-1.0	-48.66	300.36	3.62	-45.04
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004609170	1	39	-1.0	-48.62	300.41	3.65	-44.97
CN1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004609171	0	37	-1.0	-54.82	297.57	2.23	-52.59
CN1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004609171	1	37	-1.0	-54.82	297.63	2.26	-52.56
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL250004609172	0	43	-1.0	-43.38	310.74	3.60	-39.78
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL250004609172	1	43	-1.0	-43.37	310.80	3.62	-39.75
CC1(C)CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609173	0	42	-1.0	-46.11	309.50	5.24	-40.87
CC1(C)CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609173	1	42	-1.0	-46.14	309.56	5.27	-40.87
CCOC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609174	0	43	-1.0	-50.50	337.79	4.47	-46.03
CCOC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609174	1	43	-1.0	-50.48	337.85	4.49	-45.99
O=C(C1=CC=CC(O)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609175	0	35	-1.0	-50.15	289.35	0.34	-49.81
O=C(C1=CC=CC(O)=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609175	1	35	-1.0	-50.13	289.41	0.36	-49.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCOCC1	REAL250004609176	0	38	-1.0	-44.38	290.83	-0.49	-44.87
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCOCC1	REAL250004609176	1	38	-1.0	-44.39	290.89	-0.46	-44.85
CN1C=NC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609177	0	36	-1.0	-52.91	294.48	4.54	-48.37
CN1C=NC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609177	1	36	-1.0	-52.90	294.54	4.56	-48.34
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CNC(=O)C1	REAL250004609178	0	37	-1.0	-51.96	284.74	0.03	-51.93
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CNC(=O)C1	REAL250004609178	1	37	-1.0	-51.94	284.80	0.06	-51.88
CC(C)(O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609179	0	39	-1.0	-45.31	304.56	1.25	-44.06
CC(C)(O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609179	1	39	-1.0	-45.29	304.62	1.27	-44.02
CN1N=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609180	0	39	-1.0	-46.78	316.36	3.81	-42.97
CN1N=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609180	1	39	-1.0	-46.75	316.42	3.83	-42.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCCC1	REAL250004609181	0	36	-1.0	-42.90	278.60	4.17	-38.73
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCCC1	REAL250004609181	1	36	-1.0	-42.95	278.66	4.19	-38.76
O=C(C1=CC=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609182	0	31	-1.0	-39.93	259.81	3.32	-36.61
O=C(C1=CC=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609182	1	31	-1.0	-39.95	259.75	3.30	-36.65
N#CC1=CC(O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609183	0	35	-1.0	-39.65	301.81	1.95	-37.70
N#CC1=CC(O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609183	1	35	-1.0	-39.63	301.87	1.98	-37.65
CC1=CN=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609184	0	38	-1.0	-48.89	306.72	4.15	-44.74
CC1=CN=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609184	1	38	-1.0	-48.94	306.78	4.17	-44.77
O=C(CC1C=CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609185	0	40	-1.0	-47.21	306.80	5.62	-41.59
O=C(CC1C=CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609185	1	40	-1.0	-47.23	306.86	5.65	-41.58
CC1CCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609186	0	42	-1.0	-46.17	318.04	5.71	-40.46
CC1CCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609186	1	42	-1.0	-46.14	318.10	5.73	-40.41
CN1C(=O)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609187	0	37	-1.0	-54.25	297.64	2.71	-51.54
CN1C(=O)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609187	1	37	-1.0	-54.24	297.69	2.74	-51.50
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609188	0	32	-1.0	-41.27	267.81	0.99	-40.28
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609188	1	32	-1.0	-41.27	267.87	1.02	-40.25
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004609189	0	39	-1.0	-46.99	310.16	5.79	-41.20
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004609189	1	39	-1.0	-46.96	310.22	5.82	-41.14
C[C@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609190	0	35	-1.0	-44.88	284.73	-2.05	-46.93
C[C@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609190	1	35	-1.0	-44.87	284.78	-2.02	-46.89
CC(=O)OC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609191	0	38	-1.0	-44.32	296.91	3.61	-40.71
CC(=O)OC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609191	1	38	-1.0	-44.34	296.96	3.64	-40.70
O=C(C1=CSC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609192	0	29	-1.0	-41.61	271.60	2.80	-38.81
O=C(C1=CSC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609192	1	29	-1.0	-41.59	271.55	2.78	-38.81
CC1=CC(C)=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609193	0	38	-1.0	-41.76	307.94	4.71	-37.05
CC1=CC(C)=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609193	1	38	-1.0	-41.77	307.99	4.73	-37.04
O=C(C1CCC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609194	0	36	-1.0	-46.14	284.08	4.34	-41.80
O=C(C1CCC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609194	1	36	-1.0	-46.08	284.14	4.36	-41.72
CN1C=C(C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609195	0	37	-1.0	-51.17	298.84	0.71	-50.46
CN1C=C(C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609195	1	37	-1.0	-51.15	298.78	0.68	-50.47
O=C(C1=CC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609196	0	36	-1.0	-40.50	298.07	4.16	-36.34
O=C(C1=CC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609196	1	36	-1.0	-40.53	298.12	4.18	-36.35
O=C([C@H]1CCCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609197	0	37	-1.0	-52.57	291.41	1.12	-51.45
O=C([C@H]1CCCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609197	1	37	-1.0	-52.54	291.47	1.15	-51.39
CC1=C(C#N)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609198	0	37	-1.0	-48.20	307.36	5.26	-42.94
CC1=C(C#N)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609198	1	37	-1.0	-48.20	307.42	5.28	-42.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCC1	REAL250004609199	0	33	-1.0	-42.27	264.91	3.67	-38.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCC1	REAL250004609199	1	33	-1.0	-42.29	264.97	3.69	-38.60
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL250004609200	0	37	-1.0	-49.01	310.41	5.33	-43.68
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL250004609200	1	37	-1.0	-49.02	310.46	5.36	-43.66
CCOCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609201	0	40	-1.0	-50.15	318.60	3.56	-46.59
CCOCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609201	1	40	-1.0	-50.09	318.66	3.59	-46.50
CC1CC(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609202	0	40	-1.0	-49.46	301.60	3.87	-45.59
CC1CC(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609202	1	40	-1.0	-49.41	301.66	3.89	-45.52
O=C(COC1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609203	0	34	-1.0	-49.26	294.41	4.32	-44.94
O=C(COC1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609203	1	34	-1.0	-49.28	294.46	4.35	-44.93
CCC1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609204	0	45	-1.0	-45.66	323.68	5.90	-39.76
CCC1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609204	1	45	-1.0	-45.64	323.74	5.92	-39.72
CC1CCC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609205	0	43	-1.0	-43.28	314.82	2.24	-41.04
CC1CCC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609205	1	43	-1.0	-43.24	314.88	2.26	-40.98
O=C(C1=CON=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609206	0	36	-1.0	-46.56	298.53	4.22	-42.34
O=C(C1=CON=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609206	1	36	-1.0	-46.55	298.58	4.24	-42.31
CCCC(C)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609207	0	44	-1.0	-35.54	315.33	4.82	-30.72
CCCC(C)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609207	1	44	-1.0	-35.56	315.38	4.85	-30.71
O=C(C1=CC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609208	0	32	-1.0	-39.07	271.28	3.58	-35.49
O=C(C1=CC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609208	1	32	-1.0	-39.11	271.22	3.55	-35.56
CSCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609209	0	39	-1.0	-44.09	304.36	4.17	-39.92
CSCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609209	1	39	-1.0	-44.09	304.42	4.19	-39.90
O=C(C=CC1=CN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609210	0	33	-1.0	-38.20	288.80	3.21	-34.99
O=C(C=CC1=CN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609210	1	33	-1.0	-38.23	288.86	3.23	-35.00
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609211	0	33	-1.0	-45.07	277.32	4.10	-40.97
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609211	1	33	-1.0	-45.05	277.38	4.12	-40.93
CCCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609212	0	41	-1.0	-45.93	315.61	5.18	-40.75
CCCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609212	1	41	-1.0	-45.93	315.67	5.20	-40.73
O=C(C1CCCC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609213	0	39	-1.0	-43.49	306.49	4.98	-38.51
O=C(C1CCCC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609213	1	39	-1.0	-43.53	306.55	5.01	-38.52
CC(CC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609214	0	36	-1.0	-45.01	287.78	-0.22	-45.23
CC(CC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609214	1	36	-1.0	-45.02	287.84	-0.20	-45.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C=O)N1	REAL250004609215	0	36	-1.0	-49.53	299.44	2.54	-46.99
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C=O)N1	REAL250004609215	1	36	-1.0	-49.54	299.50	2.56	-46.98
CN1N=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609216	0	32	-1.0	-42.70	261.95	0.76	-41.94
CN1N=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609216	1	32	-1.0	-42.71	261.90	0.73	-41.98
O=C(C1CCCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609217	0	40	-1.0	-48.01	301.41	3.13	-44.88
O=C(C1CCCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609217	1	40	-1.0	-48.02	301.47	3.16	-44.86
COC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609218	0	39	-1.0	-48.63	297.11	3.70	-44.93
COC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609218	1	39	-1.0	-48.62	297.17	3.73	-44.89
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609219	0	37	-1.0	-47.35	299.57	2.32	-45.03
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609219	1	37	-1.0	-47.37	299.51	2.30	-45.07
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=N1	REAL250004609221	0	36	-1.0	-52.13	295.04	3.49	-48.64
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=N1	REAL250004609221	1	36	-1.0	-52.18	295.10	3.52	-48.66
O=C(C1=NC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609222	0	29	-1.0	-38.99	255.57	1.49	-37.50
O=C(C1=NC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609222	1	29	-1.0	-39.03	255.51	1.46	-37.57
CC1=C(C)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609223	0	35	-1.0	-44.14	297.17	3.75	-40.39
CC1=C(C)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609223	1	35	-1.0	-44.17	297.22	3.78	-40.39
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C#N)O1	REAL250004609224	0	34	-1.0	-42.91	292.99	3.84	-39.07
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C#N)O1	REAL250004609224	1	34	-1.0	-42.85	293.04	3.86	-38.99
O=C(CC1CCC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609225	0	39	-1.0	-47.11	311.01	5.28	-41.83
O=C(CC1CCC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609225	1	39	-1.0	-47.12	311.07	5.31	-41.81
CC(C)(C#N)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609226	0	36	-1.0	-43.13	287.16	3.97	-39.16
CC(C)(C#N)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609226	1	36	-1.0	-43.14	287.22	4.00	-39.14
CCC(C)(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609227	0	39	-1.0	-37.35	291.42	2.81	-34.54
CCC(C)(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609227	1	39	-1.0	-37.36	291.48	2.84	-34.52
O=C(C1CCC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609228	0	36	-1.0	-44.14	286.84	4.32	-39.82
O=C(C1CCC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609228	1	36	-1.0	-44.15	286.89	4.34	-39.81
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609229	0	40	-1.0	-37.97	308.69	4.22	-33.75
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609229	1	40	-1.0	-38.00	308.74	4.25	-33.75
CCN1C=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609230	0	36	-1.0	-45.38	290.48	4.65	-40.73
CCN1C=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609230	1	36	-1.0	-45.38	290.42	4.62	-40.76
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=C1	REAL250004609231	0	34	-1.0	-45.08	280.19	2.94	-42.14
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=C1	REAL250004609231	1	34	-1.0	-45.08	280.25	2.96	-42.12
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL250004609232	0	36	-1.0	-45.61	294.10	4.10	-41.51
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL250004609232	1	36	-1.0	-45.59	294.16	4.12	-41.47
C#CC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609233	0	34	-1.0	-44.96	292.66	3.77	-41.19
C#CC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609233	1	34	-1.0	-44.98	292.72	3.79	-41.19
O=C(C1=CC=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609234	0	32	-1.0	-40.48	271.66	2.64	-37.84
O=C(C1=CC=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609234	1	32	-1.0	-40.46	271.61	2.62	-37.84
O=C(C1=CN=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609235	0	33	-1.0	-44.96	276.35	-0.29	-45.25
O=C(C1=CN=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609235	1	33	-1.0	-44.95	276.41	-0.26	-45.21
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004609236	0	35	-1.0	-44.81	286.98	3.29	-41.52
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004609236	1	35	-1.0	-44.84	287.04	3.31	-41.53
O=C(CCC1=NC=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609237	0	36	-1.0	-47.04	295.45	2.92	-44.12
O=C(CCC1=NC=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609237	1	36	-1.0	-47.01	295.51	2.95	-44.06
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL250004609238	0	38	-1.0	-47.97	304.95	3.93	-44.04
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL250004609238	1	38	-1.0	-47.98	305.00	3.96	-44.02
O=C(C1=C2NC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609239	0	36	-1.0	-54.05	297.38	2.58	-51.47
O=C(C1=C2NC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609239	1	36	-1.0	-54.06	297.44	2.61	-51.45
O=C(C1CCC(O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609240	0	40	-1.0	-37.82	304.32	1.66	-36.16
O=C(C1CCC(O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609240	1	40	-1.0	-37.78	304.38	1.69	-36.09
O=C(C1=CC=CC(CO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609241	0	37	-1.0	-48.62	302.75	1.74	-46.88
O=C(C1=CC=CC(CO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609241	1	37	-1.0	-48.58	302.81	1.77	-46.81
O=C(C1=CN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609242	0	29	-1.0	-45.34	255.14	1.62	-43.72
O=C(C1=CN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609242	1	29	-1.0	-45.34	255.09	1.59	-43.75
O=C(CC1CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609243	0	40	-1.0	-49.02	305.56	3.36	-45.66
O=C(CC1CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609243	1	40	-1.0	-49.07	305.62	3.38	-45.69
O=C(CCC1=CN=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609244	0	37	-1.0	-46.93	305.05	2.61	-44.32
O=C(CCC1=CN=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609244	1	37	-1.0	-46.90	305.11	2.63	-44.27
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1C	REAL250004609245	0	37	-1.0	-48.78	296.38	4.62	-44.16
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1C	REAL250004609245	1	37	-1.0	-48.82	296.44	4.64	-44.18
CC(C)N1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609246	0	39	-1.0	-44.39	314.12	5.88	-38.51
CC(C)N1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609246	1	39	-1.0	-44.42	314.06	5.86	-38.56
C=CC(C)(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609247	0	37	-1.0	-48.51	291.56	2.28	-46.23
C=CC(C)(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609247	1	37	-1.0	-48.53	291.61	2.30	-46.23
CC(=O)CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609248	0	35	-1.0	-57.16	302.24	3.76	-53.40
CC(=O)CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609248	1	35	-1.0	-57.14	302.30	3.78	-53.36
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SCCO1	REAL250004609249	0	36	-1.0	-47.12	300.26	3.67	-43.45
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SCCO1	REAL250004609249	1	36	-1.0	-47.09	300.32	3.70	-43.39
CC1COCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609250	0	40	-1.0	-35.34	295.08	2.86	-32.48
CC1COCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609250	1	40	-1.0	-35.37	295.13	2.89	-32.48
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NS1	REAL250004609251	0	32	-1.0	-40.74	275.28	3.29	-37.45
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NS1	REAL250004609251	1	32	-1.0	-40.78	275.34	3.31	-37.47
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL250004609252	0	39	-1.0	-46.09	314.34	4.73	-41.36
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL250004609252	1	39	-1.0	-46.08	314.39	4.76	-41.32
CCC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609253	0	38	-1.0	-44.22	308.31	4.02	-40.20
CCC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609253	1	38	-1.0	-44.21	308.25	4.00	-40.21
CC(C)(C(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609254	0	36	-1.0	-51.49	274.22	-0.59	-52.08
CC(C)(C(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609254	1	36	-1.0	-51.47	274.27	-0.57	-52.04
CSC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609255	0	37	-1.0	-42.98	298.81	4.44	-38.54
CSC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609255	1	37	-1.0	-43.00	298.87	4.47	-38.53
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609256	0	35	-1.0	-35.93	297.12	3.35	-32.58
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609256	1	35	-1.0	-35.90	297.17	3.38	-32.52
O=C(CC1=NC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609258	0	35	-1.0	-49.79	294.99	3.60	-46.19
O=C(CC1=NC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609258	1	35	-1.0	-49.79	295.04	3.62	-46.17
CS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609259	0	36	-1.0	-45.73	303.13	0.59	-45.14
CS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609259	1	36	-1.0	-45.72	303.19	0.61	-45.11
CC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609260	0	34	-1.0	-50.48	283.28	2.96	-47.52
CC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609260	1	34	-1.0	-50.50	283.34	2.98	-47.52
CC(C)(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609261	0	36	-1.0	-49.64	281.67	1.56	-48.08
CC(C)(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609261	1	36	-1.0	-49.63	281.73	1.58	-48.05
O=C(CCOCC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609262	0	36	-1.0	-46.94	303.23	2.83	-44.11
O=C(CCOCC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609262	1	36	-1.0	-46.96	303.29	2.85	-44.11
CC1C(=O)CCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609263	0	41	-1.0	-47.21	321.49	4.79	-42.42
CC1C(=O)CCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609263	1	41	-1.0	-47.20	321.54	4.82	-42.38
O=C(CCC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609264	0	32	-1.0	-48.02	268.81	3.49	-44.53
O=C(CCC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609264	1	32	-1.0	-48.02	268.87	3.52	-44.50
CN1C=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609265	0	33	-1.0	-45.96	267.13	3.53	-42.43
CN1C=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609265	1	33	-1.0	-46.00	267.07	3.51	-42.49
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609266	0	37	-1.0	-49.05	291.41	3.91	-45.14
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609266	1	37	-1.0	-49.07	291.46	3.93	-45.14
O=C(C[C@@H]1CCCC[C@H]1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609267	0	43	-1.0	-47.27	324.38	2.44	-44.83
O=C(C[C@@H]1CCCC[C@H]1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609267	1	43	-1.0	-47.27	324.44	2.47	-44.80
O=C(C[C@H]1CCCC[C@@H]1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609268	0	43	-1.0	-47.40	324.38	2.44	-44.96
O=C(C[C@H]1CCCC[C@@H]1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609268	1	43	-1.0	-47.39	324.44	2.47	-44.92
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)F	REAL250004609269	0	35	-1.0	-45.97	274.13	3.25	-42.72
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)F	REAL250004609269	1	35	-1.0	-45.94	274.19	3.28	-42.66
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C#N	REAL250004609270	0	34	-1.0	-49.00	293.24	2.36	-46.64
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C#N	REAL250004609270	1	34	-1.0	-49.00	293.18	2.34	-46.66
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609271	0	40	-1.0	-43.34	299.43	3.41	-39.93
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609271	1	40	-1.0	-43.38	299.48	3.43	-39.95
CN1C=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609272	0	38	-1.0	-49.32	312.19	5.66	-43.66
CN1C=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609272	1	38	-1.0	-49.36	312.25	5.69	-43.67
CCC(C)C(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609273	0	42	-1.0	-48.55	314.82	4.11	-44.44
CCC(C)C(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609273	1	42	-1.0	-48.54	314.88	4.14	-44.40
O=C(C1=NC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609274	0	29	-1.0	-36.88	272.61	2.15	-34.73
O=C(C1=NC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609274	1	29	-1.0	-36.83	272.55	2.12	-34.71
O=C(C1=NC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609276	0	32	-1.0	-38.44	275.34	3.69	-34.75
O=C(C1=NC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609276	1	32	-1.0	-38.44	275.29	3.66	-34.78
COC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609277	0	35	-1.0	-42.69	290.41	0.50	-42.19
COC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609277	1	35	-1.0	-42.67	290.36	0.47	-42.20
O=C(C[C@H]1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609278	0	37	-1.0	-48.41	289.19	2.60	-45.81
O=C(C[C@H]1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609278	1	37	-1.0	-48.37	289.25	2.62	-45.75
O=C(C1=C(Cl)OC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609279	0	30	-1.0	-47.11	269.20	3.14	-43.97
O=C(C1=C(Cl)OC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609279	1	30	-1.0	-47.10	269.25	3.16	-43.94
CSC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609280	0	34	-1.0	-43.35	288.38	4.15	-39.20
CSC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609280	1	34	-1.0	-43.35	288.44	4.17	-39.18
CN1C=CC=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609282	0	36	-1.0	-42.65	292.41	3.94	-38.71
CN1C=CC=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609282	1	36	-1.0	-42.69	292.47	3.97	-38.72
CC(C)[C@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609283	0	36	-1.0	-45.27	277.99	1.62	-43.65
CC(C)[C@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609283	1	36	-1.0	-45.26	278.05	1.64	-43.62
CCC(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609284	0	41	-1.0	-46.15	313.48	5.19	-40.96
CCC(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609284	1	41	-1.0	-46.18	313.54	5.21	-40.97
O=C(C1=C2CCCC2=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609285	0	37	-1.0	-46.34	296.65	4.60	-41.74
O=C(C1=C2CCCC2=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609285	1	37	-1.0	-46.31	296.71	4.63	-41.68
CCOC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609286	0	43	-1.0	-43.25	321.73	4.19	-39.06
CCOC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609286	1	43	-1.0	-43.24	321.79	4.21	-39.03
O=C(C(O)C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609287	0	36	-1.0	-49.06	291.77	1.34	-47.72
O=C(C(O)C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609287	1	36	-1.0	-49.05	291.71	1.31	-47.74
CC1=NOC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609288	0	35	-1.0	-52.04	291.63	3.63	-48.41
CC1=NOC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609288	1	35	-1.0	-52.03	291.69	3.66	-48.37
O=C(C(O)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609289	0	34	-1.0	-45.57	270.35	1.52	-44.05
O=C(C(O)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609289	1	34	-1.0	-45.53	270.40	1.54	-43.99
CCC1OCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609290	0	40	-1.0	-49.85	301.97	2.84	-47.01
CCC1OCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609290	1	40	-1.0	-49.90	302.02	2.86	-47.04
COC(=O)COCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609291	0	36	-1.0	-59.17	303.77	3.31	-55.86
COC(=O)COCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609291	1	36	-1.0	-59.20	303.83	3.33	-55.87
CC(C)(C)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609292	0	47	-1.0	-46.31	354.39	6.47	-39.84
CC(C)(C)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609292	1	47	-1.0	-46.27	354.44	6.50	-39.77
CC(C)[C@@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609293	0	36	-1.0	-44.95	272.56	1.31	-43.64
CC(C)[C@@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609293	1	36	-1.0	-44.99	272.62	1.33	-43.66
O=C(C1=C(F)C=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609294	0	32	-1.0	-49.02	281.84	2.85	-46.17
O=C(C1=C(F)C=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609294	1	32	-1.0	-49.01	281.78	2.82	-46.19
O=C(C1=NN2C=CC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609295	0	35	-1.0	-51.61	293.32	3.83	-47.78
O=C(C1=NN2C=CC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609295	1	35	-1.0	-51.55	293.26	3.80	-47.75
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609296	0	37	-1.0	-37.21	284.68	1.61	-35.60
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609296	1	37	-1.0	-37.20	284.73	1.64	-35.56
O=C(C1CCC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609297	0	39	-1.0	-45.22	305.33	5.06	-40.16
O=C(C1CCC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609297	1	39	-1.0	-45.19	305.39	5.08	-40.11
CC(C)(C)OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609298	0	45	-1.0	-49.09	345.99	4.39	-44.70
CC(C)(C)OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609298	1	45	-1.0	-49.09	346.04	4.42	-44.67
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609299	0	39	-1.0	-46.05	300.79	4.78	-41.27
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609299	1	39	-1.0	-46.06	300.84	4.80	-41.26
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004609300	0	33	-1.0	-37.45	281.28	4.16	-33.29
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004609300	1	33	-1.0	-37.46	281.33	4.18	-33.28
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609301	0	32	-1.0	-43.04	279.26	2.95	-40.09
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609301	1	32	-1.0	-43.05	279.31	2.97	-40.08
CC1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL250004609302	0	36	-1.0	-44.86	290.69	4.05	-40.81
CC1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL250004609302	1	36	-1.0	-44.86	290.75	4.07	-40.79
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1	REAL250004609303	0	37	-1.0	-48.60	296.33	3.72	-44.88
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1	REAL250004609303	1	37	-1.0	-48.63	296.38	3.74	-44.89
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1	REAL250004609304	0	40	-1.0	-49.08	318.15	4.30	-44.78
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1	REAL250004609304	1	40	-1.0	-49.04	318.20	4.33	-44.71
CCC(C)(C#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609305	0	36	-1.0	-42.89	282.64	3.15	-39.74
CCC(C)(C#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609305	1	36	-1.0	-42.86	282.70	3.18	-39.68
O=C(COC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609306	0	30	-1.0	-47.25	259.01	2.21	-45.04
O=C(COC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609306	1	30	-1.0	-47.23	259.07	2.24	-44.99
CC1=NC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609307	0	38	-1.0	-49.89	306.87	4.17	-45.72
CC1=NC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609307	1	38	-1.0	-49.92	306.93	4.19	-45.73
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609308	0	40	-1.0	-46.97	322.03	6.76	-40.21
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609308	1	40	-1.0	-46.94	322.09	6.78	-40.16
O=C(C1=C(Cl)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609309	0	30	-1.0	-37.35	275.46	3.96	-33.39
O=C(C1=C(Cl)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609309	1	30	-1.0	-37.39	275.52	3.98	-33.41
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609310	0	40	-1.0	-49.90	306.98	2.92	-46.98
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609310	1	40	-1.0	-49.91	307.04	2.95	-46.96
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609311	0	32	-1.0	-39.45	267.82	1.21	-38.24
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609311	1	32	-1.0	-39.45	267.76	1.19	-38.26
O=C(C1=CN2C=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609312	0	36	-1.0	-40.47	301.60	6.01	-34.46
O=C(C1=CN2C=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609312	1	36	-1.0	-40.46	301.66	6.03	-34.43
O=C(C1COC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609313	0	32	-1.0	-54.31	266.18	-1.06	-55.37
O=C(C1COC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609313	1	32	-1.0	-54.35	266.23	-1.03	-55.38
CC1=COC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609314	0	36	-1.0	-45.93	299.10	4.14	-41.79
CC1=COC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609314	1	36	-1.0	-45.90	299.15	4.16	-41.74
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL250004609315	0	41	-1.0	-44.00	306.97	1.55	-42.45
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL250004609315	1	41	-1.0	-44.00	307.02	1.57	-42.43
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL250004609316	0	39	-1.0	-45.75	310.30	4.78	-40.97
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL250004609316	1	39	-1.0	-45.74	310.36	4.81	-40.93
O=C(C1=CC=NC2=NNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609317	0	34	-1.0	-53.78	286.31	1.09	-52.69
O=C(C1=CC=NC2=NNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609317	1	34	-1.0	-53.81	286.37	1.12	-52.69
CC1=NC=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609318	0	36	-1.0	-52.72	296.22	4.27	-48.45
CC1=NC=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609318	1	36	-1.0	-52.75	296.27	4.29	-48.46
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL250004609319	0	33	-1.0	-39.27	288.86	3.21	-36.06
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL250004609319	1	33	-1.0	-39.19	288.80	3.18	-36.01
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1F	REAL250004609320	0	35	-1.0	-36.35	291.58	3.25	-33.10
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1F	REAL250004609320	1	35	-1.0	-36.37	291.52	3.22	-33.15
C=CC(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609321	0	34	-1.0	-37.44	269.12	0.65	-36.79
C=CC(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609321	1	34	-1.0	-37.42	269.18	0.68	-36.74
CN(C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609322	1	38	-1.0	-45.47	291.14	1.36	-44.11
CN(C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609322	1	38	-1.0	-45.46	291.19	1.38	-44.08
CN1C=C(C=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609324	0	36	-1.0	-47.80	296.00	3.59	-44.21
CN1C=C(C=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609324	1	36	-1.0	-47.82	296.05	3.62	-44.20
CN1C(C=O)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609325	0	36	-1.0	-45.82	296.14	3.39	-42.43
CN1C(C=O)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609325	1	36	-1.0	-45.83	296.20	3.41	-42.42
O=CN1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609326	0	37	-1.0	-56.40	295.44	2.52	-53.88
O=CN1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609326	1	37	-1.0	-56.38	295.49	2.55	-53.83
O=C(CCC1=NNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609327	0	35	-1.0	-46.20	289.90	1.32	-44.88
O=C(CCC1=NNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609327	1	35	-1.0	-46.17	289.95	1.34	-44.83
CC1=CNN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609328	0	33	-1.0	-48.07	268.57	2.16	-45.91
CC1=CNN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609328	1	33	-1.0	-48.08	268.62	2.19	-45.89
O=C(CCC1(O)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609329	0	40	-1.0	-47.79	312.13	2.12	-45.67
O=C(CCC1(O)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609329	1	40	-1.0	-47.75	312.18	2.14	-45.61
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL250004609330	0	40	-1.0	-47.01	293.90	4.70	-42.31
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL250004609330	1	40	-1.0	-47.02	293.96	4.72	-42.30
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL250004609331	0	33	-1.0	-45.36	280.10	4.14	-41.22
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL250004609331	1	33	-1.0	-45.34	280.15	4.17	-41.17
O=C(CC1(O)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609332	0	37	-1.0	-45.80	289.53	2.56	-43.24
O=C(CC1(O)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609332	1	37	-1.0	-45.82	289.58	2.58	-43.24
CN1N=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609333	0	38	-1.0	-47.40	312.92	2.41	-44.99
CN1N=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609333	1	38	-1.0	-47.36	312.98	2.43	-44.93
O=C(CC1CCC2CC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609334	0	40	-1.0	-45.58	306.18	5.80	-39.78
O=C(CC1CCC2CC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609334	1	40	-1.0	-45.58	306.24	5.82	-39.76
CC1=NN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609335	0	34	-1.0	-52.34	295.86	2.21	-50.13
CC1=NN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609335	1	34	-1.0	-52.35	295.91	2.24	-50.11
O=C(CCC1=CN=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609336	0	37	-1.0	-46.76	305.79	4.29	-42.47
O=C(CCC1=CN=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609336	1	37	-1.0	-46.71	305.74	4.27	-42.44
O=C(C1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609337	0	30	-1.0	-45.89	257.46	3.34	-42.55
O=C(C1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609337	1	30	-1.0	-45.91	257.51	3.37	-42.54
O=C(CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609338	0	41	-1.0	-56.22	332.00	5.53	-50.69
O=C(CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609338	1	41	-1.0	-56.18	332.06	5.56	-50.62
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004609339	0	42	-1.0	-47.33	303.80	4.87	-42.46
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609339	1	42	-1.0	-47.34	303.86	4.89	-42.45
CCCCCC(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609340	0	42	-1.0	-45.32	326.27	3.22	-42.10
CCCCCC(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609340	1	42	-1.0	-45.44	326.33	3.25	-42.19
O=C(C1=CNC2=NC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609341	0	36	-1.0	-44.06	300.70	3.95	-40.11
O=C(C1=CNC2=NC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609341	1	36	-1.0	-44.07	300.76	3.97	-40.10
O=C(C1=CN=C2NC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609341	1	36	-1.0	-47.73	295.91	3.61	-44.12
O=C(C1=CN=C2NC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609341	1	36	-1.0	-47.74	295.97	3.63	-44.11
O=C(CSC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609342	0	30	-1.0	-45.98	270.91	3.35	-42.63
O=C(CSC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609342	1	30	-1.0	-45.98	270.96	3.37	-42.61
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)=C1CCC1	REAL250004609343	0	37	-1.0	-46.53	298.71	5.04	-41.49
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)=C1CCC1	REAL250004609343	1	37	-1.0	-46.50	298.76	5.07	-41.43
CCC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609344	0	38	-1.0	-41.23	307.82	4.21	-37.02
CCC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609344	1	38	-1.0	-41.21	307.88	4.24	-36.97
O=C(C1CC1)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609345	0	39	-1.0	-41.67	318.38	5.07	-36.60
O=C(C1CC1)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609345	1	39	-1.0	-41.65	318.43	5.10	-36.55
O=C(C#CC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609346	0	32	-1.0	-44.10	292.20	5.18	-38.92
O=C(C#CC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609346	1	32	-1.0	-44.11	292.26	5.21	-38.90
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609347	0	42	-1.0	-46.18	327.98	5.96	-40.22
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609347	1	42	-1.0	-46.20	328.03	5.99	-40.21
O=C(CCC1CCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609348	0	40	-1.0	-52.82	318.41	1.94	-50.88
O=C(CCC1CCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609348	1	40	-1.0	-52.70	318.47	1.96	-50.74
O=C(C1CCCCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609349	0	39	-1.0	-38.49	304.43	4.97	-33.52
O=C(C1CCCCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609349	1	39	-1.0	-38.53	304.48	4.99	-33.54
CC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C	REAL250004609350	0	45	-1.0	-46.71	323.95	5.69	-41.02
CC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C	REAL250004609350	1	45	-1.0	-46.75	324.01	5.72	-41.03
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609351	0	38	-1.0	-45.80	299.80	2.90	-42.90
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609351	1	38	-1.0	-45.81	299.86	2.93	-42.88
CC(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609352	0	41	-1.0	-46.26	316.72	5.29	-40.97
CC(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609352	1	41	-1.0	-46.24	316.78	5.31	-40.93
CCCC1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609353	0	45	-1.0	-47.04	333.37	6.67	-40.37
CCCC1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609353	1	45	-1.0	-47.07	333.42	6.69	-40.38
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL250004609354	0	33	-1.0	-45.50	290.16	2.61	-42.89
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL250004609354	1	33	-1.0	-45.49	290.10	2.59	-42.90
CCOC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609355	0	36	-1.0	-38.96	300.63	0.92	-38.04
CCOC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609355	1	36	-1.0	-38.94	300.58	0.89	-38.05
CC(C)(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)[N+](=O)[O-]	REAL250004609356	0	40	-1.0	-53.65	317.73	4.51	-49.14
CC(C)(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)[N+](=O)[O-]	REAL250004609356	1	40	-1.0	-53.61	317.78	4.53	-49.08
CC1=CN=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609357	0	35	-1.0	-44.34	284.09	3.29	-41.05
CC1=CN=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609357	1	35	-1.0	-44.33	284.04	3.27	-41.06
O=C(CC1CC(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609358	0	36	-1.0	-57.40	295.23	1.51	-55.89
O=C(CC1CC(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609358	1	36	-1.0	-57.39	295.28	1.54	-55.85
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004609359	0	35	-1.0	-48.15	291.55	-0.51	-48.66
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004609359	1	35	-1.0	-48.16	291.61	-0.49	-48.65
O=C(C1=C2C=CNC2=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609360	0	36	-1.0	-46.27	293.55	3.54	-42.73
O=C(C1=C2C=CNC2=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609360	1	36	-1.0	-46.32	293.60	3.57	-42.75
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004609361	0	31	-1.0	-36.51	280.22	3.94	-32.57
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004609361	1	31	-1.0	-36.51	280.28	3.96	-32.55
O=C(C1=NSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609362	0	29	-1.0	-40.67	253.59	2.48	-38.19
O=C(C1=NSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609362	1	29	-1.0	-40.69	253.53	2.46	-38.23
CCC1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609363	0	42	-1.0	-46.86	309.67	5.64	-41.22
CCC1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609363	1	42	-1.0	-46.84	309.73	5.67	-41.17
C#CCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609364	0	35	-1.0	-39.26	291.27	3.80	-35.46
C#CCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609364	1	35	-1.0	-39.26	291.33	3.83	-35.43
O=C(C=CC1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609365	0	38	-1.0	-37.68	303.27	3.11	-34.57
O=C(C=CC1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609365	1	38	-1.0	-37.73	303.33	3.13	-34.60
O=C(C1=NN2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609366	0	37	-1.0	-45.60	296.64	3.67	-41.93
O=C(C1=NN2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609366	1	37	-1.0	-45.61	296.70	3.70	-41.91
CC1CCCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609367	0	42	-1.0	-45.36	300.76	4.88	-40.48
CC1CCCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609367	1	42	-1.0	-45.37	300.82	4.90	-40.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C#N)N1	REAL250004609368	0	35	-1.0	-40.68	297.08	3.23	-37.45
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C#N)N1	REAL250004609368	1	35	-1.0	-40.72	297.13	3.25	-37.47
O=C(C1=C2CCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609369	0	37	-1.0	-44.05	297.88	3.03	-41.02
O=C(C1=C2CCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609369	1	37	-1.0	-44.09	297.94	3.05	-41.04
O=C(C=CC1=CNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609370	0	34	-1.0	-42.60	284.29	2.49	-40.11
O=C(C=CC1=CNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609370	1	34	-1.0	-42.64	284.24	2.47	-40.17
O=C(C1=CC(=O)NN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609371	0	32	-1.0	-39.70	274.33	0.16	-39.54
O=C(C1=CC(=O)NN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609371	1	32	-1.0	-39.68	274.38	0.19	-39.49
CC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609372	0	34	-1.0	-54.21	276.79	2.98	-51.23
CC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609372	1	34	-1.0	-54.25	276.84	3.01	-51.24
O=C([C@@H]1CNC(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609373	0	32	-1.0	-57.85	264.58	-0.64	-58.49
O=C([C@@H]1CNC(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609373	1	32	-1.0	-57.83	264.64	-0.62	-58.45
C[Si](C)(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609374	0	44	-1.0	-47.63	349.65	7.86	-39.77
C[Si](C)(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609374	1	44	-1.0	-47.59	349.71	7.89	-39.70
CC1=NN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609375	0	31	-1.0	-42.92	272.10	1.77	-41.15
CC1=NN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609375	1	31	-1.0	-42.90	272.16	1.80	-41.10
CC(F)(F)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609376	0	38	-1.0	-53.38	287.25	3.73	-49.65
CC(F)(F)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609376	1	38	-1.0	-53.32	287.31	3.75	-49.57
O=C(CSC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609377	0	34	-1.0	-47.74	289.81	4.67	-43.07
O=C(CSC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609377	1	34	-1.0	-47.75	289.86	4.69	-43.06
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004609378	0	39	-1.0	-51.86	314.95	3.63	-48.23
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004609378	1	39	-1.0	-51.87	315.00	3.66	-48.21
CC1=CC(C#N)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609379	0	36	-1.0	-45.69	310.34	3.66	-42.03
CC1=CC(C#N)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609379	1	36	-1.0	-45.70	310.28	3.63	-42.07
O=C([C@H]1C[C@@H]1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609380	0	37	-1.0	-46.42	298.34	5.45	-40.97
O=C([C@H]1C[C@@H]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609380	1	37	-1.0	-46.43	298.39	5.47	-40.96
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004609381	0	36	-1.0	-55.75	296.86	3.42	-52.33
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004609381	1	36	-1.0	-55.75	296.91	3.44	-52.31
COC1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609382	0	43	-1.0	-36.49	327.03	3.81	-32.68
COC1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609382	1	43	-1.0	-36.46	327.08	3.84	-32.62
CNC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609383	0	38	-1.0	-57.54	310.35	-0.57	-58.11
CNC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609383	1	38	-1.0	-57.51	310.40	-0.54	-58.05
CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609384	0	35	-1.0	-44.12	289.57	2.04	-42.08
CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609384	1	35	-1.0	-44.09	289.52	2.02	-42.07
CCOC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609385	0	37	-1.0	-37.46	304.18	0.04	-37.42
CCOC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609385	1	37	-1.0	-37.44	304.24	0.06	-37.38
O=C(C1CC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609386	0	40	-1.0	-46.18	313.39	6.32	-39.86
O=C(C1CC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609386	1	40	-1.0	-46.18	313.44	6.34	-39.84
O=C(C1=NC=CN2C=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609387	0	35	-1.0	-48.09	294.56	3.81	-44.28
O=C(C1=NC=CN2C=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609387	1	35	-1.0	-48.09	294.51	3.78	-44.31
CCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004609388	0	38	-1.0	-42.91	310.64	4.67	-38.24
CCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004609388	1	38	-1.0	-42.91	310.70	4.70	-38.21
N#CC1=CSC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609389	0	31	-1.0	-56.45	280.90	3.82	-52.63
N#CC1=CSC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609389	1	31	-1.0	-56.46	280.96	3.85	-52.61
O=C(CC1=NC=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609390	0	33	-1.0	-55.88	273.26	2.18	-53.70
O=C(CC1=NC=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609390	1	33	-1.0	-55.84	273.32	2.20	-53.64
O=C(CCC1=NOC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609391	0	35	-1.0	-47.01	291.04	3.53	-43.48
O=C(CCC1=NOC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609391	1	35	-1.0	-46.97	291.09	3.55	-43.42
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(F)F	REAL250004609392	0	35	-1.0	-52.28	282.03	3.75	-48.53
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(F)F	REAL250004609392	1	35	-1.0	-52.30	282.08	3.78	-48.52
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004609393	0	40	-1.0	-37.04	300.72	2.19	-34.85
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609393	1	40	-1.0	-37.03	300.78	2.22	-34.81
CCN1N=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609394	0	35	-1.0	-42.39	284.89	1.60	-40.79
CCN1N=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609394	1	35	-1.0	-42.33	284.83	1.58	-40.75
CC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004609395	0	36	-1.0	-46.49	291.00	2.89	-43.60
CC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004609395	1	36	-1.0	-46.48	291.05	2.92	-43.56
CCN1N=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609396	0	38	-1.0	-39.49	308.13	2.58	-36.91
CCN1N=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609396	1	38	-1.0	-39.55	308.18	2.60	-36.95
O=CC1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609397	0	33	-1.0	-47.35	278.31	2.50	-44.85
O=CC1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609397	1	33	-1.0	-47.33	278.37	2.52	-44.81
O=C(CC1=CN=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609398	0	36	-1.0	-51.65	300.58	0.81	-50.84
O=C(CC1=CN=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609398	1	36	-1.0	-51.65	300.64	0.84	-50.81
COC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004609399	0	35	-1.0	-41.79	291.54	1.68	-40.11
COC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004609399	1	35	-1.0	-41.79	291.49	1.65	-40.14
O=C(C1CC2CCC1CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609400	0	43	-1.0	-46.33	307.65	5.57	-40.76
O=C(C1CC2CCC1CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609400	1	43	-1.0	-46.40	307.71	5.60	-40.80
COCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609401	0	37	-1.0	-40.33	305.02	1.49	-38.84
COCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609401	1	37	-1.0	-40.35	304.96	1.46	-38.89
C=CCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609402	0	39	-1.0	-46.01	293.67	4.22	-41.79
C=CCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609402	1	39	-1.0	-46.04	293.73	4.25	-41.79
N#CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609403	0	34	-1.0	-58.75	282.64	4.09	-54.66
N#CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609403	1	34	-1.0	-58.73	282.70	4.12	-54.61
CC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609404	0	33	-1.0	-37.55	281.80	4.09	-33.46
CC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609404	1	33	-1.0	-37.51	281.85	4.11	-33.40
CCCC(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609405	0	39	-1.0	-47.46	305.52	3.89	-43.57
CCCC(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609405	1	39	-1.0	-47.47	305.58	3.91	-43.56
O=C(C1=NC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609406	0	32	-1.0	-41.07	279.90	3.84	-37.23
O=C(C1=NC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609406	1	32	-1.0	-41.10	279.85	3.81	-37.29
O=C(C1=C(C2CC2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609407	0	36	-1.0	-41.93	295.84	2.72	-39.21
O=C(C1=C(C2CC2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609407	1	36	-1.0	-41.95	295.78	2.70	-39.25
O=C(C1=C(F)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609408	0	30	-1.0	-38.85	266.42	3.53	-35.32
O=C(C1=C(F)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609408	1	30	-1.0	-38.84	266.48	3.55	-35.29
COCC(C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609409	0	42	-1.0	-36.57	322.23	3.19	-33.38
COCC(C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609409	1	42	-1.0	-36.59	322.28	3.22	-33.37
CCC[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609410	0	39	-1.0	-46.24	308.77	5.42	-40.82
CCC[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609410	1	39	-1.0	-46.18	308.82	5.45	-40.73
CN1C=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609411	0	39	-1.0	-48.44	318.89	3.94	-44.50
CN1C=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609411	1	39	-1.0	-48.42	318.94	3.96	-44.46
COC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609412	0	40	-1.0	-37.51	292.55	3.28	-34.23
COC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609412	1	40	-1.0	-37.50	292.61	3.31	-34.19
COC1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609413	0	43	-1.0	-47.06	327.56	3.99	-43.07
COC1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609413	1	43	-1.0	-47.04	327.62	4.02	-43.02
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004609414	0	35	-1.0	-41.38	285.84	1.82	-39.56
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004609414	1	35	-1.0	-41.36	285.90	1.85	-39.51
CCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609415	0	36	-1.0	-50.31	286.86	1.60	-48.71
CCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609415	1	36	-1.0	-50.34	286.91	1.63	-48.71
CC(C)N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609416	0	38	-1.0	-46.09	308.22	2.71	-43.38
CC(C)N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609416	1	38	-1.0	-46.11	308.16	2.69	-43.42
O=C(CCCC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609417	0	39	-1.0	-46.58	309.26	5.57	-41.01
O=C(CCCC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609417	1	39	-1.0	-46.56	309.32	5.59	-40.97
O=C(CCC1=NC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609418	0	37	-1.0	-48.85	306.04	3.44	-45.41
O=C(CCC1=NC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609418	1	37	-1.0	-48.85	306.09	3.46	-45.39
O=C(C1=CC2=CN=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609419	0	35	-1.0	-39.88	293.13	3.32	-36.56
O=C(C1=CC2=CN=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609419	1	35	-1.0	-39.92	293.07	3.30	-36.62
O=C(CCC1=CN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609420	0	35	-1.0	-46.22	300.92	3.51	-42.71
O=C(CCC1=CN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609420	1	35	-1.0	-46.22	300.86	3.49	-42.73
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609421	0	42	-1.0	-44.52	311.56	5.60	-38.92
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609421	1	42	-1.0	-44.56	311.61	5.62	-38.94
CCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609422	0	38	-1.0	-38.00	307.48	1.52	-36.48
CCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609422	1	38	-1.0	-37.99	307.54	1.54	-36.45
CN1N=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609423	0	31	-1.0	-45.11	262.62	0.71	-44.40
CN1N=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609423	1	31	-1.0	-45.11	262.56	0.69	-44.42
O=C(C1=NOC(CO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609424	0	33	-1.0	-45.63	279.07	-0.23	-45.86
O=C(C1=NOC(CO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609424	1	33	-1.0	-45.69	279.13	-0.21	-45.90
O=C(CC1=CC=NC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609425	0	35	-1.0	-50.88	296.01	3.63	-47.25
O=C(CC1=CC=NC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609425	1	35	-1.0	-50.89	296.07	3.65	-47.24
CC1=CC=C(O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609426	0	37	-1.0	-46.46	299.03	2.21	-44.25
CC1=CC=C(O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609426	1	37	-1.0	-46.42	299.09	2.24	-44.18
COCC1=NOC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609427	0	36	-1.0	-47.45	301.81	1.73	-45.72
COCC1=NOC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609427	1	36	-1.0	-47.42	301.86	1.75	-45.67
COC(=O)CC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609428	0	41	-1.0	-54.31	324.27	4.51	-49.80
COC(=O)CC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609428	1	41	-1.0	-54.29	324.33	4.53	-49.76
O=C(C1=C(C2CC2)N=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609429	0	36	-1.0	-39.09	295.74	1.77	-37.32
O=C(C1=C(C2CC2)N=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609429	1	36	-1.0	-39.13	295.80	1.79	-37.34
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCCCC1	REAL250004609430	0	39	-1.0	-42.57	295.08	4.67	-37.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCCCC1	REAL250004609430	1	39	-1.0	-42.52	295.14	4.70	-37.82
N#CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609431	0	33	-1.0	-46.71	285.87	3.79	-42.92
N#CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609431	1	33	-1.0	-46.72	285.81	3.77	-42.95
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004609432	0	36	-1.0	-46.54	298.36	3.09	-43.45
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004609432	1	36	-1.0	-46.51	298.42	3.12	-43.39
O=C(CC1CCCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609433	0	40	-1.0	-54.89	312.49	2.12	-52.77
O=C(CC1CCCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609433	1	40	-1.0	-54.97	312.55	2.14	-52.83
O=C(C1CCCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609434	0	37	-1.0	-43.79	295.73	4.58	-39.21
O=C(C1CCCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609434	1	37	-1.0	-43.81	295.79	4.60	-39.21
O=C(C1=NN2CCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609435	0	35	-1.0	-43.24	287.65	0.81	-42.43
O=C(C1=NN2CCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609435	1	35	-1.0	-43.19	287.59	0.78	-42.41
C#CC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609436	0	38	-1.0	-48.88	319.83	6.51	-42.37
C#CC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609436	1	38	-1.0	-48.88	319.88	6.53	-42.35
O=C(C1=CC2=NON=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609437	0	34	-1.0	-38.58	285.66	3.28	-35.30
O=C(C1=CC2=NON=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609437	1	34	-1.0	-38.55	285.60	3.25	-35.30
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609438	0	35	-1.0	-58.51	287.70	-1.96	-60.47
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609438	1	35	-1.0	-58.52	287.76	-1.94	-60.46
C=CC(=O)N(CC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609439	0	40	-1.0	-53.36	320.47	3.88	-49.48
C=CC(=O)N(CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609439	1	40	-1.0	-53.34	320.53	3.91	-49.43
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609440	0	32	-1.0	-46.77	268.28	1.36	-45.41
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609440	1	32	-1.0	-46.77	268.22	1.33	-45.44
NC(=O)C1CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609441	0	37	-1.0	-56.36	295.28	0.18	-56.18
NC(=O)C1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609441	1	37	-1.0	-56.33	295.34	0.21	-56.12
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(CO)=NO1	REAL250004609442	0	36	-1.0	-46.35	305.44	0.23	-46.12
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(CO)=NO1	REAL250004609442	1	36	-1.0	-46.41	305.50	0.26	-46.15
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609443	0	39	-1.0	-35.76	287.53	4.34	-31.42
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609443	1	39	-1.0	-35.76	287.58	4.37	-31.39
CC1=NSC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609444	0	35	-1.0	-42.66	300.61	3.54	-39.12
CC1=NSC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609444	1	35	-1.0	-42.64	300.66	3.56	-39.08
O=C(C1=CN(CCF)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609445	0	36	-1.0	-48.89	300.36	3.18	-45.71
O=C(C1=CN(CCF)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609445	1	36	-1.0	-48.92	300.30	3.15	-45.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCOC1	REAL250004609446	0	34	-1.0	-43.92	270.18	1.62	-42.30
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCOC1	REAL250004609446	1	34	-1.0	-43.92	270.24	1.65	-42.27
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CCF)CC1	REAL250004609447	0	36	-1.0	-46.27	291.32	4.37	-41.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CCF)CC1	REAL250004609447	1	36	-1.0	-46.26	291.38	4.39	-41.87
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1C	REAL250004609448	0	40	-1.0	-48.78	317.70	5.32	-43.46
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1C	REAL250004609448	1	40	-1.0	-48.77	317.76	5.34	-43.43
O=C(CN1C=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609449	0	33	-1.0	-52.75	275.52	4.46	-48.29
O=C(CN1C=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609449	1	33	-1.0	-52.74	275.57	4.49	-48.25
N#CC1=CC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609450	0	33	-1.0	-40.97	285.02	2.89	-38.08
N#CC1=CC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609450	1	33	-1.0	-40.97	284.96	2.86	-38.11
O=C(CN1C=C(Cl)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609451	0	33	-1.0	-53.66	292.02	3.37	-50.29
O=C(CN1C=C(Cl)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609451	1	33	-1.0	-53.63	291.96	3.34	-50.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)F)CCCC1	REAL250004609452	0	39	-1.0	-45.49	296.51	4.46	-41.03
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)F)CCCC1	REAL250004609452	1	39	-1.0	-45.51	296.57	4.49	-41.02
CC1=NN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609453	0	34	-1.0	-54.64	286.78	-1.63	-56.27
CC1=NN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609453	1	34	-1.0	-54.61	286.83	-1.61	-56.22
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609454	0	42	-1.0	-45.38	312.46	5.58	-39.80
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609454	1	42	-1.0	-45.39	312.51	5.60	-39.79
N#CCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609455	0	39	-1.0	-54.16	320.01	5.30	-48.86
N#CCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609455	1	39	-1.0	-54.14	320.06	5.33	-48.81
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609456	0	42	-1.0	-45.34	331.75	6.60	-38.74
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609456	1	42	-1.0	-45.35	331.81	6.62	-38.73
CCOC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609457	0	40	-1.0	-44.59	316.18	3.66	-40.93
CCOC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609457	1	40	-1.0	-44.61	316.24	3.69	-40.92
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609458	0	39	-1.0	-46.89	317.03	5.00	-41.89
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609458	1	39	-1.0	-46.90	316.97	4.97	-41.93
O=C(C1CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609459	0	31	-1.0	-52.36	259.04	-0.94	-53.30
O=C(C1CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609459	1	31	-1.0	-52.38	259.10	-0.92	-53.30
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)N1	REAL250004609460	0	34	-1.0	-44.17	278.30	0.41	-43.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)N1	REAL250004609460	1	34	-1.0	-44.16	278.36	0.44	-43.72
CC1=NN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004609461	0	35	-1.0	-60.49	289.87	2.70	-57.79
CC1=NN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004609461	1	35	-1.0	-60.52	289.93	2.73	-57.79
O=C(C1CCNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609462	0	34	-1.0	-43.20	274.74	-0.02	-43.22
O=C(C1CCNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609462	1	34	-1.0	-43.19	274.79	0.01	-43.18
O=C(C1=CC(C(F)F)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609463	0	33	-1.0	-44.32	283.40	2.11	-42.21
O=C(C1=CC(C(F)F)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609463	1	33	-1.0	-44.30	283.46	2.14	-42.16
O=C(C=CC1=NC=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609465	0	34	-1.0	-44.16	285.91	2.86	-41.30
O=C(C=CC1=NC=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609465	1	34	-1.0	-44.14	285.97	2.89	-41.25
CC(CC1=CNC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609466	0	39	-1.0	-42.92	312.49	4.13	-38.79
CC(CC1=CNC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609466	1	39	-1.0	-42.90	312.55	4.16	-38.74
CC(CC1=CN=CN1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609466	1	39	-1.0	-47.11	312.89	4.17	-42.94
O=C(CC1CCC(=O)NC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609467	0	40	-1.0	-51.94	311.58	1.73	-50.21
O=C(CC1CCC(=O)NC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609467	1	40	-1.0	-51.94	311.64	1.75	-50.19
O=C(C1=CN=CN=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609468	0	38	-1.0	-43.09	308.97	4.71	-38.38
O=C(C1=CN=CN=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609468	1	38	-1.0	-43.16	309.02	4.73	-38.43
O=C(COCC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609469	0	43	-1.0	-49.53	335.08	5.54	-43.99
O=C(COCC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609469	1	43	-1.0	-49.54	335.14	5.56	-43.98
O=C(CC1CC2CCC1O2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609470	0	41	-1.0	-45.79	312.82	3.67	-42.12
O=C(CC1CC2CCC1O2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609470	1	41	-1.0	-45.82	312.88	3.70	-42.12
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCC2)CCC1	REAL250004609471	0	43	-1.0	-47.97	307.15	5.78	-42.19
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCC2)CCC1	REAL250004609471	1	43	-1.0	-48.01	307.20	5.80	-42.21
CC1(C)CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609472	0	43	-1.0	-45.25	326.13	5.72	-39.53
CC1(C)CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609472	1	43	-1.0	-45.24	326.19	5.74	-39.50
CC1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609473	0	40	-1.0	-45.14	310.94	5.39	-39.75
CC1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609473	1	40	-1.0	-45.14	310.99	5.41	-39.73
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609474	0	38	-1.0	-50.78	290.22	2.77	-48.01
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609474	1	38	-1.0	-50.78	290.28	2.79	-47.99
CC(C)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609475	0	44	-1.0	-46.34	338.22	6.07	-40.27
CC(C)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609475	1	44	-1.0	-46.32	338.27	6.09	-40.23
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCO1	REAL250004609476	0	40	-1.0	-43.34	295.31	3.37	-39.97
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCO1	REAL250004609476	1	40	-1.0	-43.35	295.37	3.39	-39.96
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609477	0	43	-1.0	-49.93	320.71	3.48	-46.45
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609477	1	43	-1.0	-49.91	320.77	3.50	-46.41
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609478	0	39	-1.0	-57.85	296.65	5.62	-52.23
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609478	1	39	-1.0	-57.85	296.70	5.64	-52.21
CN1C(=O)CCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609479	0	40	-1.0	-46.41	316.54	3.24	-43.17
CN1C(=O)CCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609479	1	40	-1.0	-46.42	316.60	3.26	-43.16
O=C(CC1CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609480	0	34	-1.0	-51.83	279.63	-0.34	-52.17
O=C(CC1CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609480	1	34	-1.0	-51.84	279.68	-0.32	-52.16
O=C(C1CCOC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609481	0	35	-1.0	-54.52	282.29	0.02	-54.50
O=C(C1CCOC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609481	1	35	-1.0	-54.52	282.34	0.04	-54.48
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC(=O)N1	REAL250004609482	0	40	-1.0	-53.42	313.38	1.40	-52.02
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC(=O)N1	REAL250004609482	1	40	-1.0	-53.36	313.43	1.42	-51.94
O=C(C1=CSC(CO)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609483	0	33	-1.0	-44.53	287.36	-0.40	-44.93
O=C(C1=CSC(CO)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609483	1	33	-1.0	-44.53	287.42	-0.37	-44.90
O=C(CCC1=CNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609484	0	36	-1.0	-47.96	295.97	2.74	-45.22
O=C(CCC1=CNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609484	1	36	-1.0	-47.98	295.91	2.72	-45.26
CCC1=NN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609485	0	34	-1.0	-43.90	293.50	2.51	-41.39
CCC1=NN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609485	1	34	-1.0	-43.92	293.55	2.53	-41.39
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004609486	0	39	-1.0	-46.67	300.50	4.96	-41.71
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609486	1	39	-1.0	-46.65	300.56	4.99	-41.66
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1C#N	REAL250004609487	0	36	-1.0	-44.16	305.00	4.37	-39.79
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1C#N	REAL250004609487	1	36	-1.0	-44.18	305.06	4.40	-39.78
CCC(CC(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609488	0	38	-1.0	-45.11	304.33	4.54	-40.57
CCC(CC(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609488	1	38	-1.0	-45.15	304.39	4.56	-40.59
CCC(C)(C)OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609489	0	42	-1.0	-49.18	320.38	4.61	-44.57
CCC(C)(C)OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609489	1	42	-1.0	-49.15	320.43	4.64	-44.51
CC(C)(C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609490	0	45	-1.0	-46.08	334.79	5.95	-40.13
CC(C)(C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609490	1	45	-1.0	-46.05	334.84	5.97	-40.08
CC(C)(C)C#CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609491	0	37	-1.0	-44.81	304.83	5.01	-39.80
CC(C)(C)C#CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609491	1	37	-1.0	-44.83	304.88	5.04	-39.79
O=C(C1=CN=C2C=CC=NN12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609492	0	35	-1.0	-55.51	291.62	3.01	-52.50
O=C(C1=CN=C2C=CC=NN12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609492	1	35	-1.0	-55.51	291.56	2.98	-52.53
CC1(C)C(C#N)C1(C#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609493	0	38	-1.0	-48.13	315.67	4.35	-43.78
CC1(C)C(C#N)C1(C#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609493	1	38	-1.0	-48.13	315.73	4.37	-43.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CO)CCOCC1	REAL250004609494	0	41	-1.0	-50.93	301.40	-0.82	-51.75
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CO)CCOCC1	REAL250004609494	1	41	-1.0	-50.93	301.46	-0.80	-51.73
CC1=NON=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609495	0	34	-1.0	-54.34	285.99	1.94	-52.40
CC1=NON=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609495	1	34	-1.0	-54.33	286.05	1.97	-52.36
CC1=CN(C)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609496	0	36	-1.0	-48.94	291.43	3.52	-45.42
CC1=CN(C)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609496	1	36	-1.0	-48.90	291.37	3.49	-45.41
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609497	0	40	-1.0	-46.95	322.06	6.76	-40.19
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609497	1	40	-1.0	-46.96	322.12	6.79	-40.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCOC1	REAL250004609498	0	35	-1.0	-44.10	270.78	-1.36	-45.46
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCOC1	REAL250004609498	1	35	-1.0	-44.11	270.84	-1.33	-45.44
O=C(C1=CN=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609499	0	32	-1.0	-42.73	282.14	3.11	-39.62
O=C(C1=CN=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609499	1	32	-1.0	-42.72	282.08	3.08	-39.64
O=C(CS(=O)(=O)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609500	0	36	-1.0	-61.63	306.88	1.25	-60.38
O=C(CS(=O)(=O)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609500	1	36	-1.0	-61.62	306.94	1.28	-60.34
O=C(C(O)C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609501	0	37	-1.0	-45.36	284.77	2.44	-42.92
O=C(C(O)C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609501	1	37	-1.0	-45.36	284.83	2.46	-42.90
CCCC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609502	0	47	-1.0	-46.29	345.57	6.06	-40.23
CCCC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609502	1	47	-1.0	-46.32	345.62	6.09	-40.23
CCC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609503	0	44	-1.0	-45.76	325.04	5.46	-40.30
CCC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609503	1	44	-1.0	-45.77	325.10	5.48	-40.29
O=C(C1=CC2=CC=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609504	0	36	-1.0	-54.35	296.89	4.54	-49.81
O=C(C1=CC2=CC=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609504	1	36	-1.0	-54.37	296.94	4.57	-49.80
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(=O)CC1	REAL250004609505	0	41	-1.0	-47.95	301.15	3.87	-44.08
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(=O)CC1	REAL250004609505	1	41	-1.0	-47.97	301.21	3.90	-44.07
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL250004609506	0	36	-1.0	-43.54	297.81	2.98	-40.56
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL250004609506	1	36	-1.0	-43.52	297.75	2.95	-40.57
COCC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609507	0	42	-1.0	-46.85	319.45	3.55	-43.30
COCC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609507	1	42	-1.0	-46.94	319.50	3.58	-43.36
O=C(C1CCC(F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609508	0	39	-1.0	-36.84	300.09	4.89	-31.95
O=C(C1CCC(F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609508	1	39	-1.0	-36.91	300.14	4.91	-32.00
CCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609509	0	38	-1.0	-46.52	307.11	4.87	-41.65
CCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609509	1	38	-1.0	-46.53	307.17	4.89	-41.64
O=C(CC1CC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609510	0	36	-1.0	-49.02	295.70	4.69	-44.33
O=C(CC1CC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609510	1	36	-1.0	-49.05	295.75	4.72	-44.33
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C	REAL250004609511	0	38	-1.0	-46.77	303.00	4.63	-42.14
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C	REAL250004609511	1	38	-1.0	-46.71	303.06	4.66	-42.05
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609512	0	43	-1.0	-47.85	318.04	5.51	-42.34
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609512	1	43	-1.0	-47.84	318.10	5.53	-42.31
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL250004609513	0	37	-1.0	-48.71	306.04	1.02	-47.69
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL250004609513	1	37	-1.0	-48.70	305.98	0.99	-47.71
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004609514	0	32	-1.0	-46.23	273.41	3.56	-42.67
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004609514	1	32	-1.0	-46.21	273.46	3.58	-42.63
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609515	0	34	-1.0	-45.88	281.37	2.66	-43.22
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609515	1	34	-1.0	-45.86	281.43	2.69	-43.17
CC(C)CC(C(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609516	0	42	-1.0	-52.84	326.37	0.94	-51.90
CC(C)CC(C(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609516	1	42	-1.0	-52.81	326.43	0.96	-51.85
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1	REAL250004609517	0	40	-1.0	-48.97	317.82	4.49	-44.48
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1	REAL250004609517	1	40	-1.0	-48.93	317.88	4.51	-44.42
COC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609518	0	42	-1.0	-47.96	317.93	4.23	-43.73
COC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609518	1	42	-1.0	-47.90	317.99	4.25	-43.65
O=C(C1SCCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609519	0	35	-1.0	-38.93	294.87	4.51	-34.42
O=C(C1SCCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609519	1	35	-1.0	-38.90	294.93	4.54	-34.36
O=C(C1CCC2CC2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609520	0	40	-1.0	-45.66	303.58	5.50	-40.16
O=C(C1CCC2CC2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609520	1	40	-1.0	-45.68	303.64	5.52	-40.16
CC1=C(F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609521	0	36	-1.0	-45.79	294.12	5.07	-40.72
CC1=C(F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609521	1	36	-1.0	-45.78	294.18	5.10	-40.68
CN1C=NC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609522	0	37	-1.0	-49.30	304.04	5.06	-44.24
CN1C=NC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609522	1	37	-1.0	-49.27	304.10	5.08	-44.19
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(F)F	REAL250004609523	0	33	-1.0	-43.03	275.24	3.62	-39.41
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(F)F	REAL250004609523	1	33	-1.0	-43.04	275.30	3.64	-39.40
CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL250004609524	0	40	-1.0	-47.46	312.72	2.87	-44.59
CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL250004609524	1	40	-1.0	-47.50	312.78	2.89	-44.61
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004609525	0	39	-1.0	-46.46	311.66	3.90	-42.56
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004609525	1	39	-1.0	-46.44	311.60	3.87	-42.57
C=CC(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609526	0	37	-1.0	-54.22	303.61	2.99	-51.23
C=CC(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609526	1	37	-1.0	-54.24	303.67	3.02	-51.22
O=C(CC1=NN=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609527	0	32	-1.0	-60.56	267.92	2.86	-57.70
O=C(CC1=NN=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609527	1	32	-1.0	-60.51	267.98	2.89	-57.62
O=C(CC1CS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609528	0	36	-1.0	-55.39	301.46	0.41	-54.98
O=C(CC1CS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609528	1	36	-1.0	-55.37	301.52	0.44	-54.93
COC1=NSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609529	0	33	-1.0	-41.78	287.20	0.26	-41.52
COC1=NSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609529	1	33	-1.0	-41.77	287.14	0.24	-41.53
O=C(C(F)=C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609530	0	34	-1.0	-38.98	278.47	4.44	-34.54
O=C(C(F)=C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609530	1	34	-1.0	-38.99	278.53	4.46	-34.53
CNC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609531	0	36	-1.0	-47.15	294.11	1.30	-45.85
CNC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609531	1	36	-1.0	-47.15	294.05	1.27	-45.88
CC1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609532	0	42	-1.0	-35.10	302.74	5.15	-29.95
CC1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609532	1	42	-1.0	-35.09	302.80	5.18	-29.91
NC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609533	0	34	-1.0	-58.57	285.15	3.86	-54.71
NC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609533	1	34	-1.0	-58.55	285.09	3.84	-54.71
O=C(C1CCCC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609534	0	39	-1.0	-44.06	300.15	4.89	-39.17
O=C(C1CCCC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609534	1	39	-1.0	-44.06	300.21	4.92	-39.14
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(F)Cl	REAL250004609535	0	33	-1.0	-48.67	285.08	4.13	-44.54
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(F)Cl	REAL250004609535	1	33	-1.0	-48.64	285.13	4.15	-44.49
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1F	REAL250004609536	0	33	-1.0	-42.35	269.16	3.59	-38.76
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1F	REAL250004609536	1	33	-1.0	-42.36	269.21	3.61	-38.75
C=C(C)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609537	0	39	-1.0	-45.92	284.99	4.47	-41.45
C=C(C)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609537	1	39	-1.0	-45.88	285.05	4.50	-41.38
CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC1=O	REAL250004609538	0	36	-1.0	-55.23	291.43	0.08	-55.15
CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC1=O	REAL250004609538	1	36	-1.0	-55.27	291.48	0.10	-55.17
CCC(CC)(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609539	0	42	-1.0	-45.05	305.01	0.87	-44.18
CCC(CC)(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609539	1	42	-1.0	-45.00	305.07	0.89	-44.11
CC1=C(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609540	0	43	-1.0	-44.96	325.28	5.98	-38.98
CC1=C(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609540	1	43	-1.0	-44.95	325.34	6.00	-38.95
O=C(C1=CN2CCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609541	0	37	-1.0	-49.85	296.56	4.89	-44.96
O=C(C1=CN2CCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609541	1	37	-1.0	-49.86	296.62	4.92	-44.94
CON1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609542	0	42	-1.0	-45.85	325.83	2.67	-43.18
CON1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609542	1	42	-1.0	-45.85	325.88	2.69	-43.16
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL250004609544	0	38	-1.0	-47.23	305.01	4.02	-43.21
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL250004609544	1	38	-1.0	-47.22	305.07	4.05	-43.17
O=C(C1CC2(CCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609545	0	40	-1.0	-45.88	309.80	5.55	-40.33
O=C(C1CC2(CCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609545	1	40	-1.0	-45.88	309.85	5.57	-40.31
COC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609546	0	36	-1.0	-41.03	294.53	2.81	-38.22
COC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609546	1	36	-1.0	-41.02	294.48	2.79	-38.23
CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609547	0	36	-1.0	-44.02	294.01	3.68	-40.34
CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609547	1	36	-1.0	-44.06	293.95	3.65	-40.41
O=C(C=CC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609548	0	40	-1.0	-46.04	312.48	5.70	-40.34
O=C(C=CC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609548	1	40	-1.0	-46.08	312.53	5.73	-40.35
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609549	0	34	-1.0	-43.24	277.41	2.13	-41.11
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609549	1	34	-1.0	-43.27	277.47	2.15	-41.12
O=C(C1CCC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609550	0	35	-1.0	-38.17	280.67	3.38	-34.79
O=C(C1CCC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609550	1	35	-1.0	-38.16	280.73	3.41	-34.75
COCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609552	0	40	-1.0	-45.35	318.43	3.54	-41.81
COCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609552	1	40	-1.0	-45.36	318.48	3.56	-41.80
CN1C=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609553	0	36	-1.0	-54.66	296.75	3.20	-51.46
CN1C=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609553	1	36	-1.0	-54.68	296.81	3.22	-51.46
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CF)CCC1	REAL250004609554	0	36	-1.0	-50.94	279.91	3.94	-47.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CF)CCC1	REAL250004609554	1	36	-1.0	-50.92	279.97	3.97	-46.95
C=CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609555	0	36	-1.0	-46.40	302.24	2.75	-43.65
C=CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609555	1	36	-1.0	-46.43	302.18	2.72	-43.71
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609556	0	45	-1.0	-46.13	344.01	6.35	-39.78
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609556	1	45	-1.0	-46.12	344.07	6.38	-39.74
CC1=NOC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609557	0	32	-1.0	-37.53	268.09	2.67	-34.86
CC1=NOC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609557	1	32	-1.0	-37.53	268.14	2.69	-34.84
O=C(C1CS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609558	0	33	-1.0	-51.59	279.34	-0.40	-51.99
O=C(C1CS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609558	1	33	-1.0	-51.57	279.39	-0.37	-51.94
O=C(C1CCCNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609559	0	37	-1.0	-50.58	291.46	0.88	-49.70
O=C(C1CCCNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609559	1	37	-1.0	-50.61	291.52	0.91	-49.70
CN1C(=O)NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609560	0	34	-1.0	-49.76	280.25	1.08	-48.68
CN1C(=O)NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609560	1	34	-1.0	-49.70	280.31	1.11	-48.59
CCC=C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609561	0	33	-1.0	-37.96	270.69	3.77	-34.19
CCC=C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609561	1	33	-1.0	-37.95	270.74	3.80	-34.15
O=C(CC1CSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609562	0	34	-1.0	-49.32	282.36	4.14	-45.18
O=C(CC1CSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609562	1	34	-1.0	-49.34	282.42	4.16	-45.18
COC1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609563	0	37	-1.0	-54.64	306.74	0.18	-54.46
COC1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609563	1	37	-1.0	-54.66	306.68	0.15	-54.51
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609564	0	34	-1.0	-44.23	294.80	3.67	-40.56
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609564	1	34	-1.0	-44.25	294.86	3.69	-40.56
C#CCN1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609566	0	40	-1.0	-46.15	312.81	2.48	-43.67
C#CCN1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609566	1	40	-1.0	-46.11	312.86	2.50	-43.61
O=C(C1=CC=CC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609567	0	40	-1.0	-46.65	319.10	6.51	-40.14
O=C(C1=CC=CC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609567	1	40	-1.0	-46.69	319.16	6.54	-40.15
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609568	0	34	-1.0	-43.08	284.13	2.99	-40.09
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609568	1	34	-1.0	-43.11	284.19	3.01	-40.10
O=C(C1CCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609569	0	36	-1.0	-57.91	294.04	1.58	-56.33
O=C(C1CCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609569	1	36	-1.0	-57.88	294.09	1.60	-56.28
CC(C)(C)N1CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609570	1	44	-1.0	-49.48	327.81	2.00	-47.48
CC(C)(C)N1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609570	1	44	-1.0	-49.44	327.87	2.03	-47.41
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=N1	REAL250004609572	0	33	-1.0	-47.39	269.88	3.06	-44.33
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=N1	REAL250004609572	1	33	-1.0	-47.37	269.93	3.08	-44.29
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=N1	REAL250004609573	0	36	-1.0	-45.43	294.15	3.28	-42.15
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=N1	REAL250004609573	1	36	-1.0	-45.43	294.21	3.31	-42.12
COC(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609574	0	34	-1.0	-38.52	270.34	1.62	-36.90
COC(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609574	1	34	-1.0	-38.54	270.40	1.65	-36.89
CN1C(Cl)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609575	0	33	-1.0	-42.85	283.59	3.23	-39.62
CN1C(Cl)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609575	1	33	-1.0	-42.82	283.53	3.21	-39.61
N#CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609576	0	36	-1.0	-49.72	298.51	4.52	-45.20
N#CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609576	1	36	-1.0	-49.76	298.56	4.54	-45.22
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CF)CC1	REAL250004609577	0	33	-1.0	-35.80	267.53	3.60	-32.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CF)CC1	REAL250004609577	1	33	-1.0	-35.78	267.59	3.62	-32.16
CC(=CC1=CC=NC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609578	0	39	-1.0	-48.04	308.28	4.38	-43.66
CC(=CC1=CC=NC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609578	1	39	-1.0	-48.09	308.34	4.40	-43.69
CC(=CC1=CC=CC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609579	0	39	-1.0	-45.97	318.50	5.59	-40.38
CC(=CC1=CC=CC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609579	1	39	-1.0	-45.97	318.56	5.62	-40.35
CC(=CC1=CC=CN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609580	0	39	-1.0	-36.91	312.28	4.46	-32.45
CC(=CC1=CC=CN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609580	1	39	-1.0	-36.96	312.33	4.48	-32.48
CC(=CC1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609581	0	37	-1.0	-39.18	304.51	4.71	-34.47
CC(=CC1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609581	1	37	-1.0	-39.19	304.57	4.74	-34.45
O=C(C1=COC(CO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609582	0	34	-1.0	-47.33	283.66	-0.07	-47.40
O=C(C1=COC(CO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609582	1	34	-1.0	-47.31	283.72	-0.05	-47.36
O=C(C1CSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609583	0	31	-1.0	-44.13	259.68	3.31	-40.82
O=C(C1CSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609583	1	31	-1.0	-44.09	259.74	3.34	-40.75
C[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609584	0	42	-1.0	-45.76	316.45	5.49	-40.27
C[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609584	1	42	-1.0	-45.75	316.51	5.51	-40.24
O=C(C1=C2NC=NC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609586	0	35	-1.0	-45.15	291.69	2.26	-42.89
O=C(C1=CNC=C2N=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609586	1	35	-1.0	-68.22	295.53	2.60	-65.62
O=C(C1=CNC=C2N=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609586	1	35	-1.0	-68.21	295.58	2.63	-65.58
O=C(C1=C2NC=NC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609586	1	35	-1.0	-45.15	291.75	2.28	-42.87
CCC(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609587	0	36	-1.0	-43.98	278.70	0.62	-43.36
CCC(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609587	1	36	-1.0	-43.99	278.76	0.65	-43.34
O=C(CNC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609588	0	37	-1.0	-49.74	302.34	2.79	-46.95
O=C(CNC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609588	1	37	-1.0	-49.78	302.40	2.81	-46.97
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609589	0	40	-1.0	-46.39	314.40	5.93	-40.46
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609589	1	40	-1.0	-46.37	314.46	5.96	-40.41
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609590	0	41	-1.0	-47.34	304.65	5.51	-41.83
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609590	1	41	-1.0	-47.34	304.71	5.53	-41.81
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004609591	0	39	-1.0	-45.65	312.23	5.39	-40.26
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004609591	1	39	-1.0	-45.68	312.29	5.41	-40.27
CCN1C=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609592	0	39	-1.0	-54.66	318.21	4.06	-50.60
CCN1C=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609592	1	39	-1.0	-54.68	318.27	4.08	-50.60
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1COC2	REAL250004609593	0	35	-1.0	-44.28	278.72	2.30	-41.98
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1COC2	REAL250004609593	1	35	-1.0	-44.29	278.77	2.32	-41.97
CCC1=NOC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609594	0	35	-1.0	-37.55	289.71	3.43	-34.12
CCC1=NOC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609594	1	35	-1.0	-37.60	289.77	3.45	-34.15
CC(=O)NCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609595	0	42	-1.0	-56.61	320.24	1.68	-54.93
CC(=O)NCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609595	1	42	-1.0	-56.60	320.30	1.71	-54.89
O=C(C1CC1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609596	0	43	-1.0	-47.83	325.34	6.24	-41.59
O=C(C1CC1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609596	1	43	-1.0	-47.83	325.40	6.26	-41.57
CSCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609597	0	40	-1.0	-44.56	328.05	5.64	-38.92
CSCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609597	1	40	-1.0	-44.60	328.10	5.66	-38.94
CCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609598	0	41	-1.0	-46.58	300.50	4.38	-42.20
CCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609598	1	41	-1.0	-46.59	300.55	4.40	-42.19
CC1(C)OCC2CC21C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609599	0	41	-1.0	-49.01	302.94	2.90	-46.11
CC1(C)OCC2CC21C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609599	1	41	-1.0	-49.01	302.99	2.93	-46.08
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004609600	0	42	-1.0	-44.80	317.60	5.40	-39.40
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004609600	1	42	-1.0	-44.81	317.66	5.43	-39.38
O=C(C1=C2C=CNC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609601	0	35	-1.0	-45.02	292.05	4.25	-40.77
O=C(C1=C2C=CNC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609601	1	35	-1.0	-45.01	292.10	4.28	-40.73
CN1C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609602	0	36	-1.0	-49.17	304.22	2.48	-46.69
CN1C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609602	1	36	-1.0	-49.17	304.28	2.50	-46.67
CNC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004609603	0	34	-1.0	-40.49	292.21	2.36	-38.13
CNC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004609603	1	34	-1.0	-40.48	292.15	2.34	-38.14
O=C(C1CC2(CC2(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609604	0	37	-1.0	-45.92	306.24	5.22	-40.70
O=C(C1CC2(CC2(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609604	1	37	-1.0	-45.87	306.30	5.25	-40.62
CSC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609605	0	36	-1.0	-48.89	281.73	3.46	-45.43
CSC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609605	1	36	-1.0	-48.92	281.79	3.49	-45.43
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CC1	REAL250004609606	0	35	-1.0	-41.25	293.81	2.89	-38.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CC1	REAL250004609606	1	35	-1.0	-41.27	293.76	2.87	-38.40
CC(C)(O)C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609607	0	37	-1.0	-48.14	279.82	-1.03	-49.17
CC(C)(O)C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609607	1	37	-1.0	-48.11	279.88	-1.01	-49.12
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(=O)C1	REAL250004609608	0	35	-1.0	-45.72	277.53	2.97	-42.75
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(=O)C1	REAL250004609608	1	35	-1.0	-45.72	277.59	3.00	-42.72
CCC(O)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609609	0	39	-1.0	-50.17	302.18	1.12	-49.05
CCC(O)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609609	1	39	-1.0	-50.18	302.23	1.15	-49.03
CCC1=CNC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609610	0	39	-1.0	-55.95	316.64	3.52	-52.43
CCC1=CNC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609610	1	39	-1.0	-55.95	316.70	3.54	-52.41
O=C(C1CC2CC2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609611	0	37	-1.0	-45.33	286.41	4.95	-40.38
O=C(C1CC2CC2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609611	1	37	-1.0	-45.30	286.47	4.98	-40.32
O=C(C1=NN2C=CC=NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609612	0	34	-1.0	-54.94	287.73	5.44	-49.50
O=C(C1=NN2C=CC=NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609612	1	34	-1.0	-54.93	287.68	5.41	-49.52
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004609613	0	37	-1.0	-45.05	303.29	4.80	-40.25
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004609613	1	37	-1.0	-45.05	303.34	4.83	-40.22
CC=CC(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609614	0	34	-1.0	-45.08	272.58	1.65	-43.43
CC=CC(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609614	1	34	-1.0	-45.07	272.64	1.68	-43.39
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCNC1=O	REAL250004609615	0	37	-1.0	-40.13	285.74	-0.02	-40.15
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCNC1=O	REAL250004609615	1	37	-1.0	-40.16	285.80	0.01	-40.15
CC1=CC=NC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609616	0	38	-1.0	-49.35	306.74	4.15	-45.20
CC1=CC=NC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609616	1	38	-1.0	-49.40	306.80	4.18	-45.22
O=C(C1=CC=NN1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609617	0	33	-1.0	-49.90	278.75	2.37	-47.53
O=C(C1=CC=NN1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609617	1	33	-1.0	-49.90	278.70	2.35	-47.55
CC(C)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609618	0	42	-1.0	-46.30	328.13	6.33	-39.97
CC(C)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609618	1	42	-1.0	-46.32	328.18	6.36	-39.96
O=C(C1CCCC2CC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609619	0	40	-1.0	-45.92	301.11	5.43	-40.49
O=C(C1CCCC2CC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609619	1	40	-1.0	-45.91	301.17	5.46	-40.45
O=C(C1=CC=C(CF)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609620	0	36	-1.0	-46.34	298.48	5.26	-41.08
O=C(C1=CC=C(CF)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609620	1	36	-1.0	-46.33	298.54	5.29	-41.04
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL250004609621	0	41	-1.0	-50.27	310.50	1.98	-48.29
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL250004609621	1	41	-1.0	-50.29	310.55	2.01	-48.28
O=C(CCC1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609622	0	36	-1.0	-48.37	299.81	4.93	-43.44
O=C(CCC1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609622	1	36	-1.0	-48.36	299.87	4.96	-43.40
COCCCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609623	0	43	-1.0	-45.44	345.38	2.38	-43.06
COCCCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609623	1	43	-1.0	-45.46	345.44	2.41	-43.05
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL250004609624	0	36	-1.0	-49.68	296.02	4.23	-45.45
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL250004609624	1	36	-1.0	-49.68	296.08	4.25	-45.43
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004609625	0	39	-1.0	-47.63	298.88	4.14	-43.49
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004609625	1	39	-1.0	-47.63	298.82	4.11	-43.52
O=C(C1=CN=C2CCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609626	0	37	-1.0	-48.59	292.56	4.23	-44.36
O=C(C1=CN=C2CCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609626	1	37	-1.0	-48.57	292.61	4.25	-44.32
CCCCC(C)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609627	0	41	-1.0	-42.65	314.51	4.97	-37.68
CCCCC(C)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609627	1	41	-1.0	-42.65	314.57	4.99	-37.66
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=N1	REAL250004609628	0	36	-1.0	-42.44	294.50	1.30	-41.14
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=N1	REAL250004609628	1	36	-1.0	-42.46	294.55	1.33	-41.13
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609630	0	40	-1.0	-45.47	319.69	6.55	-38.92
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609630	1	40	-1.0	-45.46	319.75	6.57	-38.89
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL250004609631	0	43	-1.0	-48.97	313.71	4.29	-44.68
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL250004609631	1	43	-1.0	-48.98	313.77	4.31	-44.67
CC(CC1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609632	0	39	-1.0	-37.80	312.08	4.69	-33.11
CC(CC1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609632	1	39	-1.0	-37.87	312.14	4.71	-33.16
CC1(C)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609633	0	39	-1.0	-45.74	293.70	4.66	-41.08
CC1(C)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609633	1	39	-1.0	-45.74	293.76	4.68	-41.06
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609634	0	40	-1.0	-50.43	301.22	4.48	-45.95
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609634	1	40	-1.0	-50.42	301.27	4.50	-45.92
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004609635	0	43	-1.0	-45.74	325.75	4.03	-41.71
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004609635	1	43	-1.0	-45.71	325.81	4.06	-41.65
O=C(C1=CN(C2CC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609636	0	36	-1.0	-46.48	297.78	2.86	-43.62
O=C(C1=CN(C2CC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609636	1	36	-1.0	-46.51	297.72	2.83	-43.68
CC(F)(F)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609637	0	36	-1.0	-41.81	291.65	4.17	-37.64
CC(F)(F)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609637	1	36	-1.0	-41.82	291.71	4.19	-37.63
O=C(COCC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609638	0	33	-1.0	-56.05	282.28	3.12	-52.93
O=C(COCC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609638	1	33	-1.0	-56.04	282.34	3.15	-52.89
COC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609639	0	33	-1.0	-43.93	279.08	-0.28	-44.21
COC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609639	1	33	-1.0	-43.91	279.03	-0.30	-44.21
CC1=CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609640	0	43	-1.0	-47.02	313.76	5.33	-41.69
CC1=CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609640	1	43	-1.0	-47.03	313.82	5.36	-41.67
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609641	0	43	-1.0	-44.33	335.48	4.25	-40.08
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609641	1	43	-1.0	-44.30	335.53	4.27	-40.03
O=C(C1=NC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609642	0	32	-1.0	-42.43	271.41	3.46	-38.97
O=C(C1=NC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609642	1	32	-1.0	-42.44	271.36	3.43	-39.01
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609643	0	32	-1.0	-37.74	267.94	0.13	-37.61
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609643	1	32	-1.0	-37.72	267.99	0.16	-37.56
CC1=COC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609644	0	33	-1.0	-48.08	272.97	3.21	-44.87
CC1=COC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609644	1	33	-1.0	-48.04	273.03	3.24	-44.80
COCC(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609645	0	37	-1.0	-37.70	294.31	1.73	-35.97
COCC(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609645	1	37	-1.0	-37.71	294.36	1.75	-35.96
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C	REAL250004609648	1	37	-1.0	-46.64	284.12	1.16	-45.48
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C	REAL250004609648	1	37	-1.0	-46.65	284.17	1.19	-45.46
CCC(C)(C)C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609649	0	42	-1.0	-44.81	303.47	2.65	-42.16
CCC(C)(C)C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609649	1	42	-1.0	-44.83	303.53	2.67	-42.16
O=C(C1=CN=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609650	0	36	-1.0	-46.45	298.46	1.59	-44.86
O=C(C1=CN=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609650	1	36	-1.0	-46.44	298.52	1.62	-44.82
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)O1	REAL250004609652	0	35	-1.0	-55.00	298.97	0.23	-54.77
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)O1	REAL250004609652	1	35	-1.0	-55.05	299.03	0.26	-54.79
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004609653	0	39	-1.0	-44.97	313.52	4.94	-40.03
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004609653	1	39	-1.0	-45.01	313.58	4.97	-40.04
O=C(C1=CC2=NN=NN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609654	0	34	-1.0	-46.18	291.16	2.75	-43.43
O=C(C1=CC2=NN=NN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609654	1	34	-1.0	-46.12	291.11	2.72	-43.40
CN1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004609655	0	40	-1.0	-55.84	305.76	2.26	-53.58
CN1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004609655	1	40	-1.0	-55.84	305.82	2.28	-53.56
CN1CC(O)CC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609656	1	42	-1.0	-46.85	311.84	-0.08	-46.93
CN1CC(O)CC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609656	1	42	-1.0	-46.87	311.90	-0.05	-46.92
CCCC(OCC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609657	0	42	-1.0	-48.57	321.57	4.60	-43.97
CCCC(OCC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609657	1	42	-1.0	-48.58	321.62	4.63	-43.95
COC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609658	0	37	-1.0	-45.49	293.62	2.65	-42.84
COC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609658	1	37	-1.0	-45.48	293.68	2.67	-42.81
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609659	0	40	-1.0	-49.20	312.61	4.81	-44.39
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609659	1	40	-1.0	-49.19	312.66	4.84	-44.35
O=C(C=CC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609660	0	34	-1.0	-45.82	293.73	5.03	-40.79
O=C(C=CC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609660	1	34	-1.0	-45.81	293.78	5.05	-40.76
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609661	0	42	-1.0	-46.52	330.12	6.33	-40.19
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609661	1	42	-1.0	-46.54	330.18	6.36	-40.18
O=C(C1=CN(C2CC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609662	0	37	-1.0	-46.11	302.92	3.73	-42.38
O=C(C1=CN(C2CC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609662	1	37	-1.0	-46.09	302.87	3.71	-42.38
O=C([C@@H]1COC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609663	0	32	-1.0	-54.31	266.22	-1.02	-55.33
O=C([C@@H]1COC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609663	1	32	-1.0	-54.33	266.28	-1.00	-55.33
O=C(CC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609664	0	32	-1.0	-51.43	278.21	2.62	-48.81
O=C(CC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609664	1	32	-1.0	-51.39	278.27	2.64	-48.75
O=C(C1CCCC2(CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609665	0	43	-1.0	-35.74	326.01	6.10	-29.64
O=C(C1CCCC2(CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609665	1	43	-1.0	-35.75	326.07	6.13	-29.62
CCCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609666	0	39	-1.0	-44.22	308.68	3.81	-40.41
CCCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609666	1	39	-1.0	-44.24	308.62	3.78	-40.46
CC1=CN=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609667	0	36	-1.0	-52.77	295.57	4.95	-47.82
CC1=CN=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609667	1	36	-1.0	-52.74	295.52	4.93	-47.81
CN1N=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609668	0	33	-1.0	-42.99	293.10	2.83	-40.16
CN1N=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609668	1	33	-1.0	-42.99	293.04	2.80	-40.19
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL250004609669	0	42	-1.0	-47.83	337.49	6.76	-41.07
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL250004609669	1	42	-1.0	-47.80	337.54	6.78	-41.02
CCOC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609670	0	40	-1.0	-43.26	310.74	3.79	-39.47
CCOC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609670	1	40	-1.0	-43.32	310.79	3.82	-39.50
CCC(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609671	0	32	-1.0	-39.32	264.06	3.23	-36.09
CCC(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609671	1	32	-1.0	-39.28	264.11	3.26	-36.02
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004609672	0	40	-1.0	-47.61	309.14	4.50	-43.11
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609672	1	40	-1.0	-47.58	309.20	4.52	-43.06
CCCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004609673	0	47	-1.0	-45.93	338.82	6.13	-39.80
CCCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004609673	1	47	-1.0	-45.96	338.88	6.15	-39.81
CCN1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609674	0	36	-1.0	-44.97	294.24	5.45	-39.52
CCN1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609674	1	36	-1.0	-44.97	294.19	5.43	-39.54
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609675	0	35	-1.0	-46.19	280.50	2.53	-43.66
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609675	1	35	-1.0	-46.21	280.56	2.56	-43.65
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609676	0	37	-1.0	-35.88	288.06	5.04	-30.84
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609676	1	37	-1.0	-35.88	288.12	5.07	-30.81
O=C(C1CCC2(CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609677	0	43	-1.0	-45.85	327.73	6.18	-39.67
O=C(C1CCC2(CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609677	1	43	-1.0	-45.88	327.79	6.21	-39.67
CN1C=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609678	0	33	-1.0	-49.45	287.93	3.36	-46.09
CN1C=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609678	1	33	-1.0	-49.44	287.88	3.33	-46.11
O=C(C1=C(Cl)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609679	0	30	-1.0	-37.37	276.06	3.98	-33.39
O=C(C1=C(Cl)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609679	1	30	-1.0	-37.40	276.11	4.01	-33.39
CC1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609680	0	34	-1.0	-40.83	283.85	1.38	-39.45
CC1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609680	1	34	-1.0	-40.87	283.91	1.40	-39.47
C=C1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609681	0	37	-1.0	-45.55	288.12	4.39	-41.16
C=C1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609681	1	37	-1.0	-45.56	288.18	4.42	-41.14
O=C(C1CC2(CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609682	0	37	-1.0	-45.79	292.93	5.07	-40.72
O=C(C1CC2(CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609682	1	37	-1.0	-45.80	292.99	5.09	-40.71
CN1C=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609683	0	38	-1.0	-50.25	312.88	2.73	-47.52
CN1C=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609683	1	38	-1.0	-50.27	312.94	2.76	-47.51
O=C(C1=CC(Cl)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609684	0	29	-1.0	-37.64	263.09	2.49	-35.15
O=C(C1=CC(Cl)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609684	1	29	-1.0	-37.59	263.04	2.46	-35.13
O=C([C@H]1COC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609685	0	32	-1.0	-54.33	266.03	-1.05	-55.38
O=C([C@H]1COC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609685	1	32	-1.0	-54.35	266.09	-1.02	-55.37
CN1C(=O)NCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609686	0	36	-1.0	-54.28	289.49	0.06	-54.22
CN1C(=O)NCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609686	1	36	-1.0	-54.25	289.54	0.09	-54.16
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C	REAL250004609687	1	37	-1.0	-46.51	284.64	1.17	-45.34
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C	REAL250004609687	1	37	-1.0	-46.51	284.70	1.20	-45.31
CCC(C)(C)C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609688	0	40	-1.0	-42.83	306.81	3.70	-39.13
CCC(C)(C)C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609688	1	40	-1.0	-42.84	306.87	3.72	-39.12
O=C([C@H]1C[C@@H](O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609689	0	34	-1.0	-50.60	272.37	0.29	-50.31
O=C([C@H]1C[C@@H](O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609689	1	34	-1.0	-50.56	272.42	0.32	-50.24
CC1CN(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609690	0	42	-1.0	-47.76	321.44	1.70	-46.06
CC1CN(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609690	1	42	-1.0	-47.81	321.50	1.73	-46.08
O=C(C=CCN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609692	0	36	-1.0	-54.82	303.91	5.49	-49.33
O=C(C=CCN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609692	1	36	-1.0	-54.84	303.85	5.46	-49.38
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609693	0	37	-1.0	-54.57	303.38	4.37	-50.20
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609693	1	37	-1.0	-54.54	303.44	4.39	-50.15
CC1=CC=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609694	0	36	-1.0	-51.95	295.81	3.26	-48.69
CC1=CC=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609694	1	36	-1.0	-51.96	295.87	3.29	-48.67
CC(Cl)=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609695	0	30	-1.0	-36.90	259.15	3.55	-33.35
CC(Cl)=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609695	1	30	-1.0	-36.88	259.21	3.58	-33.30
CC1=C(CO)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609696	0	37	-1.0	-48.92	305.17	0.89	-48.03
CC1=C(CO)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609696	1	37	-1.0	-48.90	305.23	0.92	-47.98
CN1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004609698	0	35	-1.0	-42.97	291.47	3.71	-39.26
CN1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004609698	1	35	-1.0	-42.92	291.41	3.69	-39.23
CN1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004609699	0	38	-1.0	-50.32	297.66	1.76	-48.56
CN1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004609699	1	38	-1.0	-50.31	297.72	1.79	-48.52
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=N2)CC1	REAL250004609700	0	39	-1.0	-44.40	316.48	4.72	-39.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=N2)CC1	REAL250004609700	1	39	-1.0	-44.40	316.42	4.70	-39.70
CC1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609702	0	36	-1.0	-43.96	291.62	3.09	-40.87
CC1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609702	1	36	-1.0	-43.94	291.68	3.11	-40.83
CC1=NN=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609703	0	37	-1.0	-48.65	308.17	-0.83	-49.48
CC1=NN=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609703	1	37	-1.0	-48.67	308.23	-0.81	-49.48
O=C(C1=NN=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609704	0	35	-1.0	-42.38	294.41	0.14	-42.24
O=C(C1=NN=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609704	1	35	-1.0	-42.35	294.46	0.16	-42.19
O=C(C1=CC=CN2N=NN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609705	0	34	-1.0	-57.60	291.88	2.82	-54.78
O=C(C1=CC=CN2N=NN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609705	1	34	-1.0	-57.58	291.82	2.80	-54.78
O=C(C1=CC(F)=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609706	0	33	-1.0	-46.41	279.22	1.53	-44.88
O=C(C1=CC(F)=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609706	1	33	-1.0	-46.39	279.28	1.55	-44.84
C#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004609707	0	35	-1.0	-45.83	297.76	5.63	-40.20
C#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004609707	1	35	-1.0	-45.83	297.81	5.65	-40.18
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC1	REAL250004609708	0	35	-1.0	-41.58	281.07	1.41	-40.17
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC1	REAL250004609708	1	35	-1.0	-41.55	281.13	1.43	-40.12
O=CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004609709	0	38	-1.0	-51.50	317.95	5.16	-46.34
O=CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004609709	1	38	-1.0	-51.51	318.00	5.19	-46.32
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN=CC=N1	REAL250004609710	0	37	-1.0	-45.83	298.60	2.29	-43.54
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN=CC=N1	REAL250004609710	1	37	-1.0	-45.86	298.66	2.31	-43.55
O=C(C1=C(F)C=NC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609711	0	32	-1.0	-45.66	281.93	2.98	-42.68
O=C(C1=C(F)C=NC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609711	1	32	-1.0	-45.63	281.87	2.95	-42.68
O=C(C1=CSN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609712	0	29	-1.0	-46.81	271.28	2.62	-44.19
O=C(C1=CSN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609712	1	29	-1.0	-46.78	271.22	2.60	-44.18
O=C(CCOC1COC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609713	0	38	-1.0	-45.44	307.99	1.07	-44.37
O=C(CCOC1COC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609713	1	38	-1.0	-45.47	308.04	1.10	-44.37
O=C(C1=CSC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609714	0	30	-1.0	-47.92	277.27	3.97	-43.95
O=C(C1=CSC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609714	1	30	-1.0	-47.95	277.33	4.00	-43.95
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL250004609715	0	47	-1.0	-45.25	336.22	5.83	-39.42
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL250004609715	1	47	-1.0	-45.25	336.28	5.85	-39.40
O=C(C1=CC=C(C(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609716	0	33	-1.0	-36.60	286.12	3.75	-32.85
O=C(C1=CC=C(C(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609716	1	33	-1.0	-36.57	286.17	3.77	-32.80
O=C(C1=C(C(F)F)N=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609717	0	32	-1.0	-38.86	273.50	0.27	-38.59
O=C(C1=C(C(F)F)N=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609717	1	32	-1.0	-38.87	273.56	0.30	-38.57
NC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609718	0	33	-1.0	-45.87	272.37	-0.70	-46.57
NC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609718	1	33	-1.0	-45.89	272.42	-0.67	-46.56
O=C(C1=CC(=O)NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609719	0	32	-1.0	-42.11	269.25	2.06	-40.05
O=C(C1=CC(=O)NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609719	1	32	-1.0	-42.09	269.30	2.09	-40.00
O=C(CN1CCOC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609720	0	35	-1.0	-57.64	289.95	2.22	-55.42
O=C(CN1CCOC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609720	1	35	-1.0	-57.59	290.01	2.25	-55.34
O=C(CCCN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609721	0	38	-1.0	-57.37	313.41	5.69	-51.68
O=C(CCCN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609721	1	38	-1.0	-57.40	313.35	5.67	-51.73
O=C(CN1CCNC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609722	0	39	-1.0	-56.25	306.88	-1.20	-57.45
O=C(CN1CCNC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609722	1	39	-1.0	-56.24	306.93	-1.18	-57.42
CCCC=CC(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609723	0	40	-1.0	-44.99	315.14	3.20	-41.79
CCCC=CC(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609723	1	40	-1.0	-44.95	315.20	3.22	-41.73
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=NN1	REAL250004609724	0	33	-1.0	-46.48	293.05	2.09	-44.39
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=NN1	REAL250004609724	1	33	-1.0	-46.47	293.11	2.11	-44.36
CC1=NC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609725	0	35	-1.0	-52.17	292.11	1.05	-51.12
CC1=NC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609725	1	35	-1.0	-52.10	292.17	1.08	-51.02
O=C(CC1=CON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609726	0	32	-1.0	-50.58	269.70	2.86	-47.72
O=C(CC1=CON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609726	1	32	-1.0	-50.57	269.65	2.83	-47.74
O=C(C1=CC=NC2=CC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609727	0	35	-1.0	-51.48	296.61	3.36	-48.12
O=C(C1=CC=NC2=CC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609727	1	35	-1.0	-51.47	296.56	3.33	-48.14
O=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609728	0	32	-1.0	-44.90	284.94	3.29	-41.61
O=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609728	1	32	-1.0	-44.87	285.00	3.32	-41.55
O=C(C1=NC=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609730	0	31	-1.0	-39.99	272.05	2.13	-37.86
O=C(C1=NC=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609730	1	31	-1.0	-39.95	271.99	2.11	-37.84
O=C(C1=NC2=CC=NN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609731	0	35	-1.0	-43.76	295.17	3.87	-39.89
O=C(C1=NC2=CC=NN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609731	1	35	-1.0	-43.74	295.11	3.85	-39.89
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C)C1=O	REAL250004609732	0	37	-1.0	-46.89	308.30	3.32	-43.57
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C)C1=O	REAL250004609732	1	37	-1.0	-46.93	308.36	3.35	-43.58
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C	REAL250004609733	0	36	-1.0	-45.80	287.05	3.31	-42.49
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C	REAL250004609733	1	36	-1.0	-45.81	287.11	3.34	-42.47
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609734	0	34	-1.0	-57.83	282.50	-0.19	-58.02
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609734	1	34	-1.0	-57.79	282.56	-0.17	-57.96
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004609737	0	42	-1.0	-48.79	320.47	4.50	-44.29
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004609737	1	42	-1.0	-48.81	320.52	4.52	-44.29
CC(=O)N[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004609738	0	42	-1.0	-43.63	318.68	2.16	-41.47
CC(=O)N[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004609738	1	42	-1.0	-43.69	318.74	2.18	-41.51
CC(C)[C@H](NC=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609739	0	39	-1.0	-41.11	300.56	1.53	-39.58
CC(C)[C@H](NC=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609739	1	39	-1.0	-41.12	300.62	1.55	-39.57
CC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609740	0	40	-1.0	-59.97	311.78	4.34	-55.63
CC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609740	1	40	-1.0	-59.96	311.84	4.37	-55.59
CN(C)C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609741	0	39	-1.0	-45.74	312.48	2.73	-43.01
CN(C)C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609741	1	39	-1.0	-45.71	312.54	2.75	-42.96
CC1=CC=CC(O)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609742	0	37	-1.0	-46.65	304.55	2.35	-44.30
CC1=CC=CC(O)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609742	1	37	-1.0	-46.64	304.61	2.38	-44.26
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609743	0	37	-1.0	-45.71	306.53	5.02	-40.69
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609743	1	37	-1.0	-45.72	306.59	5.05	-40.67
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609744	0	38	-1.0	-64.63	305.55	0.54	-64.09
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609744	1	38	-1.0	-64.65	305.60	0.56	-64.09
O=C(C1=CN(C2CC2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609745	0	37	-1.0	-48.28	301.73	5.92	-42.36
O=C(C1=CN(C2CC2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609745	1	37	-1.0	-48.31	301.67	5.89	-42.42
CCC(NC(C)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609746	0	39	-1.0	-41.03	305.88	1.36	-39.67
CCC(NC(C)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609746	1	39	-1.0	-41.07	305.93	1.39	-39.68
O=C([C@H]1CCC(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609747	0	33	-1.0	-57.13	269.63	3.63	-53.50
O=C([C@H]1CCC(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609747	1	33	-1.0	-57.11	269.69	3.66	-53.45
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CC2)C1	REAL250004609748	0	38	-1.0	-39.62	309.04	4.84	-34.78
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CC2)C1	REAL250004609748	1	38	-1.0	-39.65	309.10	4.87	-34.78
CN1C(=O)OCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609749	0	35	-1.0	-53.63	282.59	1.55	-52.08
CN1C(=O)OCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609749	1	35	-1.0	-53.63	282.65	1.57	-52.06
O=C(C1=NC=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609750	0	36	-1.0	-47.17	294.61	5.82	-41.35
O=C(C1=NC=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609750	1	36	-1.0	-47.13	294.55	5.79	-41.34
CC(C)C1=NOC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609751	0	38	-1.0	-45.79	310.25	4.00	-41.79
CC(C)C1=NOC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609751	1	38	-1.0	-45.79	310.31	4.02	-41.77
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609752	0	36	-1.0	-38.31	300.89	4.90	-33.41
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609752	1	36	-1.0	-38.31	300.94	4.92	-33.39
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC1CCCC2	REAL250004609753	0	40	-1.0	-46.78	302.85	5.26	-41.52
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC1CCCC2	REAL250004609753	1	40	-1.0	-46.85	302.90	5.28	-41.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)F)CCC1	REAL250004609754	0	36	-1.0	-39.01	283.57	3.96	-35.05
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)F)CCC1	REAL250004609754	1	36	-1.0	-39.03	283.63	3.98	-35.05
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CCC[C@H]1OCC2	REAL250004609755	0	41	-1.0	-47.53	301.94	3.03	-44.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CCC[C@H]1OCC2	REAL250004609755	1	41	-1.0	-47.52	302.00	3.06	-44.46
CC1OC(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C	REAL250004609756	0	43	-1.0	-43.69	316.03	3.57	-40.12
CC1OC(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C	REAL250004609756	1	43	-1.0	-43.77	316.08	3.60	-40.17
CCOC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609757	0	39	-1.0	-44.73	296.87	2.99	-41.74
CCOC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609757	1	39	-1.0	-44.71	296.93	3.02	-41.69
O=C(C1=COC(C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609758	0	33	-1.0	-46.30	284.93	3.52	-42.78
O=C(C1=COC(C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609758	1	33	-1.0	-46.27	284.98	3.55	-42.72
O=C(C1CC(C2CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609759	0	40	-1.0	-46.51	314.16	5.89	-40.62
O=C(C1CC(C2CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609759	1	40	-1.0	-46.49	314.22	5.92	-40.57
O=C(CC1=CN=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609760	0	33	-1.0	-52.23	274.04	2.92	-49.31
O=C(CC1=CN=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609760	1	33	-1.0	-52.22	274.10	2.94	-49.28
CC(=C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004609761	0	37	-1.0	-43.86	302.03	5.04	-38.82
CC(=C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004609761	1	37	-1.0	-43.92	302.08	5.07	-38.85
O=C([C@@H]1CCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609762	0	34	-1.0	-53.65	275.72	0.25	-53.40
O=C([C@@H]1CCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609762	1	34	-1.0	-53.69	275.78	0.28	-53.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCOCC1	REAL250004609763	0	37	-1.0	-43.15	286.34	2.29	-40.86
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCOCC1	REAL250004609763	1	37	-1.0	-43.17	286.40	2.32	-40.85
CC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1CC1	REAL250004609764	0	40	-1.0	-46.36	310.05	5.82	-40.54
CC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1CC1	REAL250004609764	1	40	-1.0	-46.35	310.11	5.85	-40.50
O=C(C1CCCC12CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609765	0	40	-1.0	-46.35	301.79	5.48	-40.87
O=C(C1CCCC12CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609765	1	40	-1.0	-46.34	301.85	5.50	-40.84
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL250004609766	0	43	-1.0	-48.30	306.93	5.23	-43.07
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL250004609766	1	43	-1.0	-48.27	306.98	5.26	-43.01
CCC(C#N)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609767	0	39	-1.0	-42.28	296.17	3.74	-38.54
CCC(C#N)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609767	1	39	-1.0	-42.27	296.23	3.77	-38.50
CC(=O)N1CCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609768	0	40	-1.0	-59.26	310.67	4.26	-55.00
CC(=O)N1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609768	1	40	-1.0	-59.28	310.72	4.28	-55.00
O=C(C1=CC=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609769	0	31	-1.0	-45.66	259.86	2.09	-43.57
O=C(C1=CC=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609769	1	31	-1.0	-45.64	259.80	2.06	-43.58
COC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609770	0	36	-1.0	-44.87	294.41	3.61	-41.26
COC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609770	1	36	-1.0	-44.86	294.35	3.59	-41.27
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)O1	REAL250004609771	0	40	-1.0	-45.50	307.73	3.12	-42.38
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)O1	REAL250004609771	1	40	-1.0	-45.51	307.79	3.14	-42.37
O=C(C1CC2CC1C1CC12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609772	0	41	-1.0	-47.05	294.75	5.38	-41.67
O=C(C1CC2CC1C1CC12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609772	1	41	-1.0	-47.01	294.80	5.40	-41.61
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL250004609773	0	39	-1.0	-48.65	315.70	3.68	-44.97
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL250004609773	1	39	-1.0	-48.63	315.76	3.71	-44.92
N#CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609774	0	36	-1.0	-51.82	310.54	3.98	-47.84
N#CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609774	1	36	-1.0	-51.82	310.48	3.95	-47.87
O=C(C1=C2N=CC=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609775	0	35	-1.0	-54.42	291.83	5.74	-48.68
O=C(C1=C2N=CC=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609775	1	35	-1.0	-54.40	291.78	5.71	-48.69
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C(C)(C)C	REAL250004609776	0	47	-1.0	-46.62	330.57	6.03	-40.59
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C(C)(C)C	REAL250004609776	1	47	-1.0	-46.64	330.63	6.06	-40.58
COCC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609777	0	34	-1.0	-48.29	280.48	2.08	-46.21
COCC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609777	1	34	-1.0	-48.30	280.53	2.10	-46.20
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCNC1=O	REAL250004609778	0	40	-1.0	-55.11	299.36	0.57	-54.54
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCNC1=O	REAL250004609778	1	40	-1.0	-55.14	299.42	0.60	-54.54
CC1=CN=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609779	0	35	-1.0	-50.24	294.19	3.32	-46.92
CC1=CN=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609779	1	35	-1.0	-50.26	294.13	3.29	-46.97
CC1=CC(F)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609780	0	35	-1.0	-42.31	291.56	3.16	-39.15
CC1=CC(F)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609780	1	35	-1.0	-42.34	291.61	3.18	-39.16
COC1=NSC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609781	0	33	-1.0	-49.00	287.22	0.58	-48.42
COC1=NSC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609781	1	33	-1.0	-48.98	287.17	0.55	-48.43
O=C(C=CC1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609782	0	38	-1.0	-38.65	314.53	3.08	-35.57
O=C(C=CC1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609782	1	38	-1.0	-38.70	314.58	3.10	-35.60
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609783	0	31	-1.0	-38.82	271.27	2.97	-35.85
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609783	1	31	-1.0	-38.80	271.33	3.00	-35.80
O=C(C1=CN(C(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609784	0	33	-1.0	-45.95	285.60	2.36	-43.59
O=C(C1=CN(C(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609784	1	33	-1.0	-45.90	285.54	2.34	-43.56
CCOCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609785	0	45	-1.0	-48.65	354.68	4.82	-43.83
CCOCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609785	1	45	-1.0	-48.67	354.74	4.85	-43.82
NC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609786	0	34	-1.0	-46.94	283.09	0.63	-46.31
NC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609786	1	34	-1.0	-46.95	283.03	0.60	-46.35
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCOC1	REAL250004609787	0	38	-1.0	-42.29	297.27	2.05	-40.24
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCOC1	REAL250004609787	1	38	-1.0	-42.27	297.33	2.07	-40.20
CC1=CON=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609788	0	32	-1.0	-45.16	264.74	2.97	-42.19
CC1=CON=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609788	1	32	-1.0	-45.14	264.68	2.95	-42.19
O=C(C1=CN2C=CN=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609789	0	35	-1.0	-47.98	296.13	5.75	-42.23
O=C(C1=CN2C=CN=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609789	1	35	-1.0	-47.95	296.07	5.72	-42.23
CC1CC1C1CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609790	0	40	-1.0	-47.00	306.66	5.82	-41.18
CC1CC1C1CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609790	1	40	-1.0	-47.02	306.72	5.85	-41.17
N#CCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609791	0	37	-1.0	-49.77	308.67	5.51	-44.26
N#CCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609791	1	37	-1.0	-49.80	308.73	5.53	-44.27
CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL250004609792	0	39	-1.0	-45.83	313.25	3.58	-42.25
CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL250004609792	1	39	-1.0	-45.83	313.30	3.60	-42.23
CC1(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609793	0	35	-1.0	-45.12	295.35	5.18	-39.94
CC1(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609793	1	35	-1.0	-45.16	295.40	5.20	-39.96
CN1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609794	1	41	-1.0	-46.02	306.06	2.39	-43.63
CN1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609794	1	41	-1.0	-45.98	306.12	2.42	-43.56
O=C(C1CC2(CSC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609795	0	38	-1.0	-46.36	309.66	5.17	-41.19
O=C(C1CC2(CSC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609795	1	38	-1.0	-46.38	309.72	5.19	-41.19
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NO1	REAL250004609796	0	38	-1.0	-42.50	308.96	4.14	-38.36
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NO1	REAL250004609796	1	38	-1.0	-42.47	309.01	4.17	-38.30
O=C(C1=C2N=CNC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609797	0	34	-1.0	-53.38	284.73	4.11	-49.27
O=C(C1=C2N=CNC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609797	1	34	-1.0	-53.36	284.79	4.14	-49.22
CC1(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609798	0	38	-1.0	-52.83	309.88	-0.12	-52.95
CC1(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609798	1	38	-1.0	-52.81	309.93	-0.10	-52.91
C=CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004609799	0	40	-1.0	-36.80	322.18	6.41	-30.39
C=CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004609799	1	40	-1.0	-36.82	322.24	6.44	-30.38
CN(C)C(=O)C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609800	0	37	-1.0	-43.49	302.84	2.47	-41.02
CN(C)C(=O)C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609800	1	37	-1.0	-43.44	302.90	2.49	-40.95
O=C(C1=CC=CN2N=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609801	0	35	-1.0	-55.56	296.75	5.11	-50.45
O=C(C1=CC=CN2N=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609801	1	35	-1.0	-55.62	296.69	5.09	-50.53
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609802	0	41	-1.0	-51.33	302.24	4.25	-47.08
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609802	1	41	-1.0	-51.37	302.30	4.28	-47.09
O=C(C1=CNC=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609803	0	38	-1.0	-52.41	306.89	4.47	-47.94
O=C(C1=CNC=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609803	1	38	-1.0	-52.39	306.95	4.49	-47.90
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004609804	0	37	-1.0	-42.72	299.43	2.33	-40.39
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004609804	1	37	-1.0	-42.77	299.37	2.30	-40.47
CN1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004609805	0	40	-1.0	-61.98	315.62	4.34	-57.64
CN1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004609805	1	40	-1.0	-61.99	315.68	4.37	-57.62
CCC1CCCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609806	0	45	-1.0	-47.22	321.03	5.49	-41.73
CCC1CCCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609806	1	45	-1.0	-47.27	321.09	5.51	-41.76
O=C(CC1=CC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609807	0	35	-1.0	-52.54	294.58	3.90	-48.64
O=C(CC1=CC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609807	1	35	-1.0	-52.49	294.63	3.93	-48.56
NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609808	0	35	-1.0	-42.56	289.17	2.54	-40.02
NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609808	1	35	-1.0	-42.57	289.23	2.56	-40.01
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL250004609809	0	35	-1.0	-43.39	298.92	2.20	-41.19
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL250004609809	1	35	-1.0	-43.40	298.97	2.23	-41.17
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609810	0	35	-1.0	-38.32	298.33	2.26	-36.06
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609810	1	35	-1.0	-38.33	298.39	2.29	-36.04
O=C(C1=CC=CN2N=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609811	0	36	-1.0	-49.63	301.81	4.43	-45.20
O=C(C1=CC=CN2N=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609811	1	36	-1.0	-49.62	301.75	4.41	-45.21
O=C(CO)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609812	0	37	-1.0	-61.89	306.26	-1.32	-63.21
O=C(CO)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609812	1	37	-1.0	-61.86	306.31	-1.30	-63.16
O=C(CC1CCNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609813	0	37	-1.0	-61.05	293.48	2.14	-58.91
O=C(CC1CCNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609813	1	37	-1.0	-61.09	293.54	2.16	-58.93
O=C(C1=CN=C2C=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609814	0	36	-1.0	-45.48	296.37	2.48	-43.00
O=C(C1=CN=C2C=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609814	1	36	-1.0	-45.56	296.43	2.51	-43.05
NC1=NN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004609815	0	33	-1.0	-52.75	290.12	0.69	-52.06
NC1=NN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004609815	1	33	-1.0	-52.72	290.18	0.72	-52.00
NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL250004609816	0	34	-1.0	-45.63	280.61	1.45	-44.18
NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL250004609816	1	34	-1.0	-45.64	280.55	1.43	-44.21
CCCC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609817	0	41	-1.0	-45.89	313.52	5.03	-40.86
CCCC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609817	1	41	-1.0	-45.94	313.58	5.06	-40.88
O=C(C1C2(CC2)C12CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609818	0	38	-1.0	-46.47	309.37	6.15	-40.32
O=C(C1C2(CC2)C12CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609818	1	38	-1.0	-46.51	309.42	6.17	-40.34
O=C(C1CCC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609819	0	40	-1.0	-46.06	303.12	5.30	-40.76
O=C(C1CCC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609819	1	40	-1.0	-46.05	303.18	5.33	-40.72
CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL250004609820	0	40	-1.0	-48.33	316.39	5.50	-42.83
CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL250004609820	1	40	-1.0	-48.36	316.45	5.53	-42.83
CC1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609821	0	33	-1.0	-38.67	272.96	3.33	-35.34
CC1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609821	1	33	-1.0	-38.67	273.02	3.36	-35.31
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(F)(F)C1	REAL250004609822	0	36	-1.0	-50.20	285.69	3.97	-46.23
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(F)(F)C1	REAL250004609822	1	36	-1.0	-50.21	285.75	3.99	-46.22
CC(C)OC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609823	0	43	-1.0	-43.93	326.95	3.87	-40.06
CC(C)OC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609823	1	43	-1.0	-43.95	327.00	3.89	-40.06
C[C@@]1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(=O)N1	REAL250004609824	0	37	-1.0	-47.41	287.35	1.06	-46.35
C[C@@]1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(=O)N1	REAL250004609824	1	37	-1.0	-47.43	287.41	1.09	-46.34
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609825	0	39	-1.0	-54.05	309.12	4.87	-49.18
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609825	1	39	-1.0	-54.02	309.18	4.90	-49.12
O=C(C=CC1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609826	0	34	-1.0	-37.88	293.57	4.89	-32.99
O=C(C=CC1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609826	1	34	-1.0	-37.91	293.63	4.92	-32.99
CCC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609827	0	39	-1.0	-43.84	312.32	3.52	-40.32
CCC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609827	1	39	-1.0	-43.86	312.38	3.54	-40.32
NC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609828	0	34	-1.0	-42.02	279.85	1.35	-40.67
NC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609828	1	34	-1.0	-42.02	279.91	1.38	-40.64
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609829	0	40	-1.0	-46.70	319.17	6.26	-40.44
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609829	1	40	-1.0	-46.70	319.22	6.28	-40.42
C=CC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609830	0	39	-1.0	-44.25	296.54	4.76	-39.49
C=CC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609830	1	39	-1.0	-44.23	296.60	4.78	-39.45
O=C(COC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609831	0	34	-1.0	-50.44	279.64	3.60	-46.84
O=C(COC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609831	1	34	-1.0	-50.45	279.69	3.62	-46.83
O=C(COC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609832	0	36	-1.0	-49.28	301.14	2.81	-46.47
O=C(COC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609832	1	36	-1.0	-49.34	301.08	2.79	-46.55
O=C(C1=CC=CC2=C1OCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609833	0	38	-1.0	-42.58	306.87	4.31	-38.27
O=C(C1=CC=CC2=C1OCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609833	1	38	-1.0	-42.55	306.93	4.34	-38.21
O=C(C1=CC(=O)C=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609834	0	33	-1.0	-51.62	279.96	2.11	-49.51
O=C(C1=CC(=O)C=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609834	1	33	-1.0	-51.61	280.02	2.13	-49.48
O=C(C1=CSN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609835	0	29	-1.0	-44.63	255.18	2.20	-42.43
O=C(C1=CSN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609835	1	29	-1.0	-44.61	255.12	2.18	-42.43
CC1=CN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609836	0	37	-1.0	-50.89	300.12	4.74	-46.15
CC1=CN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609836	1	37	-1.0	-50.87	300.18	4.76	-46.11
COC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609837	0	35	-1.0	-43.92	291.61	0.48	-43.44
COC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609837	1	35	-1.0	-43.90	291.55	0.46	-43.44
O=C(C1=CC=C(F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609838	0	30	-1.0	-40.70	257.84	2.88	-37.82
O=C(C1=CC=C(F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609838	1	30	-1.0	-40.71	257.90	2.91	-37.80
CC1COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609839	0	37	-1.0	-50.02	288.02	3.52	-46.50
CC1COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609839	1	37	-1.0	-49.97	288.08	3.55	-46.42
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609840	0	41	-1.0	-45.95	318.09	3.89	-42.06
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609840	1	41	-1.0	-45.92	318.15	3.91	-42.01
O=C(C1=CC=CC(O)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609841	0	34	-1.0	-52.42	287.04	1.65	-50.77
O=C(C1=CC=CC(O)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609841	1	34	-1.0	-52.40	287.09	1.68	-50.72
O=C(C1CCC(Cl)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609842	0	39	-1.0	-35.55	311.89	5.39	-30.16
O=C(C1CCC(Cl)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609842	1	39	-1.0	-35.58	311.95	5.41	-30.17
O=C(C1=CS(=O)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609843	0	36	-1.0	-54.17	296.33	1.69	-52.48
O=C(C1=CS(=O)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609843	1	36	-1.0	-54.13	296.39	1.71	-52.42
CN1C(=O)CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609844	0	40	-1.0	-51.93	306.63	2.82	-49.11
CN1C(=O)CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609844	1	40	-1.0	-51.93	306.69	2.85	-49.08
CCN1CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609845	0	38	-1.0	-43.42	283.91	0.59	-42.83
CCN1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609845	1	38	-1.0	-43.39	283.97	0.61	-42.78
O=C(COC1=NSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609846	0	33	-1.0	-47.62	290.91	1.84	-45.78
O=C(COC1=NSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609846	1	33	-1.0	-47.62	290.86	1.81	-45.81
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004609847	0	35	-1.0	-43.20	289.15	3.89	-39.31
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004609847	1	35	-1.0	-43.21	289.20	3.92	-39.29
CC1(C)COC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609848	0	43	-1.0	-50.39	331.27	4.55	-45.84
CC1(C)COC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609848	1	43	-1.0	-50.36	331.33	4.57	-45.79
O=C(CCN1CCC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609849	1	41	-1.0	-47.88	321.76	2.57	-45.31
O=C(C1=CC=NC(CO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609850	0	36	-1.0	-48.62	295.49	0.10	-48.52
O=C(C1=CC=NC(CO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609850	1	36	-1.0	-48.60	295.54	0.13	-48.47
CC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1O	REAL250004609851	0	36	-1.0	-42.81	293.50	2.73	-40.08
CC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1O	REAL250004609851	1	36	-1.0	-42.79	293.56	2.76	-40.03
O=C(CCCCCO)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609853	0	39	-1.0	-49.83	310.57	1.45	-48.38
O=C(CCCCCO)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609853	1	39	-1.0	-49.78	310.62	1.48	-48.30
CCCCC(O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609854	0	45	-1.0	-45.27	351.75	3.11	-42.16
CCCCC(O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609854	1	45	-1.0	-45.27	351.81	3.14	-42.13
C=C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609855	0	40	-1.0	-45.86	308.74	5.32	-40.54
C=C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609855	1	40	-1.0	-45.91	308.79	5.34	-40.57
O=C(C1CCC=CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609856	0	43	-1.0	-36.48	314.60	5.76	-30.72
O=C(C1CCC=CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609856	1	43	-1.0	-36.52	314.65	5.79	-30.73
O=C(C1=CC=NN1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609857	0	37	-1.0	-44.81	300.45	3.85	-40.96
O=C(C1=CC=NN1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609857	1	37	-1.0	-44.78	300.39	3.83	-40.95
CC1=CN=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609858	0	35	-1.0	-42.56	291.69	3.26	-39.30
CC1=CN=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609858	1	35	-1.0	-42.54	291.63	3.24	-39.30
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004609859	0	40	-1.0	-50.54	304.81	3.16	-47.38
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004609859	1	40	-1.0	-50.52	304.87	3.18	-47.34
NC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609860	0	33	-1.0	-53.89	281.39	1.14	-52.75
NC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609860	1	33	-1.0	-53.95	281.33	1.11	-52.84
O=C(C1=CC=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609861	0	29	-1.0	-38.19	253.85	2.06	-36.13
O=C(C1=CC=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609861	1	29	-1.0	-38.17	253.79	2.04	-36.13
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CC2)CCC1	REAL250004609862	0	40	-1.0	-35.90	296.07	5.60	-30.30
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CC2)CCC1	REAL250004609862	1	40	-1.0	-35.91	296.12	5.62	-30.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CC2)CC1	REAL250004609863	0	37	-1.0	-35.73	277.45	4.77	-30.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CC2)CC1	REAL250004609863	1	37	-1.0	-35.77	277.51	4.80	-30.97
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCSC1	REAL250004609864	0	38	-1.0	-45.61	300.46	3.04	-42.57
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCSC1	REAL250004609864	1	38	-1.0	-45.62	300.51	3.06	-42.56
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609865	0	36	-1.0	-54.42	296.21	4.71	-49.71
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609865	1	36	-1.0	-54.46	296.27	4.74	-49.72
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609866	0	41	-1.0	-49.31	308.40	3.45	-45.86
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609866	1	41	-1.0	-49.32	308.46	3.47	-45.85
O=C(CC(F)(F)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609867	0	32	-1.0	-54.02	278.84	3.67	-50.35
O=C(CC(F)(F)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609867	1	32	-1.0	-54.02	278.90	3.70	-50.32
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609868	0	40	-1.0	-58.45	310.80	0.80	-57.65
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609868	1	40	-1.0	-58.49	310.86	0.82	-57.67
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609869	0	40	-1.0	-45.19	305.61	5.30	-39.89
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609869	1	40	-1.0	-45.17	305.66	5.33	-39.84
C#CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609870	0	32	-1.0	-50.44	284.99	4.36	-46.08
C#CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609870	1	32	-1.0	-50.47	285.05	4.39	-46.08
O=C(C1=NC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609871	0	31	-1.0	-43.47	261.96	2.31	-41.16
O=C(C1=NC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609871	1	31	-1.0	-43.43	261.91	2.29	-41.14
N#CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL250004609872	0	31	-1.0	-54.00	281.31	3.89	-50.11
N#CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL250004609872	1	31	-1.0	-53.96	281.37	3.92	-50.04
O=C(C1C2CCC(=O)C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609873	0	36	-1.0	-46.77	282.11	3.85	-42.92
O=C(C1C2CCC(=O)C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609873	1	36	-1.0	-46.81	282.16	3.88	-42.93
CC1=NOC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609874	0	37	-1.0	-43.18	293.80	2.59	-40.59
CC1=NOC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609874	1	37	-1.0	-43.17	293.85	2.61	-40.56
CCOC1C(C)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609875	0	40	-1.0	-50.35	313.36	4.01	-46.34
CCOC1C(C)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609875	1	40	-1.0	-50.35	313.41	4.04	-46.31
O=C(CCN1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609876	0	34	-1.0	-47.97	285.65	2.62	-45.35
O=C(CCN1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609876	1	34	-1.0	-47.96	285.59	2.60	-45.36
NC1=CC=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609877	0	35	-1.0	-52.04	290.14	1.62	-50.42
NC1=CC=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609877	1	35	-1.0	-52.02	290.08	1.59	-50.43
O=C(CC1(O)CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609878	0	41	-1.0	-49.78	312.95	1.26	-48.52
O=C(CC1(O)CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609878	1	41	-1.0	-49.73	313.01	1.28	-48.45
O=C(C1=CC=C2NC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609879	0	36	-1.0	-47.61	296.19	3.44	-44.17
O=C(C1=CC=C2NC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609879	1	36	-1.0	-47.58	296.25	3.46	-44.12
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1CCC2	REAL250004609880	0	37	-1.0	-46.81	289.30	4.82	-41.99
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1CCC2	REAL250004609880	1	37	-1.0	-46.80	289.36	4.84	-41.96
CN1C=NC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609881	0	37	-1.0	-46.97	308.02	5.37	-41.60
CN1C=NC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609881	1	37	-1.0	-47.00	308.07	5.39	-41.61
O=C(CC1CC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609882	0	40	-1.0	-46.80	306.61	5.65	-41.15
O=C(CC1CC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609882	1	40	-1.0	-46.79	306.67	5.68	-41.11
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL250004609884	0	35	-1.0	-43.62	293.08	2.43	-41.19
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL250004609884	1	35	-1.0	-43.61	293.02	2.41	-41.20
O=C(C1CCC2(CC1)N=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609885	0	39	-1.0	-48.09	309.22	-0.53	-48.62
O=C(C1CCC2(CC1)N=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609885	1	39	-1.0	-48.07	309.28	-0.50	-48.57
O=C(CC1CCCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609886	0	39	-1.0	-52.72	307.23	5.15	-47.57
O=C(CC1CCCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609886	1	39	-1.0	-52.75	307.29	5.17	-47.58
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609887	0	43	-1.0	-45.90	320.32	6.06	-39.84
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609887	1	43	-1.0	-45.92	320.38	6.08	-39.84
C=C(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609888	0	39	-1.0	-45.02	306.07	4.87	-40.15
C=C(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609888	1	39	-1.0	-44.98	306.13	4.90	-40.08
O=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004609889	0	34	-1.0	-47.82	288.19	3.21	-44.61
O=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004609889	1	34	-1.0	-47.82	288.13	3.19	-44.63
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL250004609890	0	36	-1.0	-48.65	298.46	3.57	-45.08
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL250004609890	1	36	-1.0	-48.66	298.52	3.60	-45.06
O=CC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609891	0	34	-1.0	-51.70	288.83	2.33	-49.37
O=CC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609891	1	34	-1.0	-51.67	288.77	2.31	-49.36
CC(C)N1C=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609892	0	39	-1.0	-44.10	308.93	5.22	-38.88
CC(C)N1C=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609892	1	39	-1.0	-44.12	308.87	5.20	-38.92
CC1=CC=C(C#N)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609893	0	37	-1.0	-45.81	308.84	5.44	-40.37
CC1=CC=C(C#N)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609893	1	37	-1.0	-45.79	308.90	5.47	-40.32
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CCC1	REAL250004609894	0	37	-1.0	-45.77	281.91	4.28	-41.49
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CCC1	REAL250004609894	1	37	-1.0	-45.80	281.97	4.30	-41.50
CCCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609895	0	42	-1.0	-47.07	327.73	5.78	-41.29
CCCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609895	1	42	-1.0	-47.07	327.79	5.81	-41.26
O=C(C1=C2C=CC=CC2=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609896	0	35	-1.0	-43.28	291.67	4.18	-39.10
O=C(C1=C2C=CC=CC2=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609896	1	35	-1.0	-43.29	291.61	4.15	-39.14
O=C(C1=CC=C2OC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609897	0	35	-1.0	-41.63	292.25	1.36	-40.27
O=C(C1=CC=C2OC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609897	1	35	-1.0	-41.63	292.19	1.34	-40.29
CCC[C@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609898	0	36	-1.0	-45.37	283.32	1.67	-43.70
CCC[C@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609898	1	36	-1.0	-45.42	283.38	1.70	-43.72
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CO	REAL250004609899	0	30	-1.0	-40.03	254.74	-0.37	-40.40
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CO	REAL250004609899	1	30	-1.0	-40.05	254.80	-0.35	-40.40
CC1=NNC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609900	0	39	-1.0	-46.71	317.90	3.17	-43.54
CC1=NNC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609900	1	39	-1.0	-46.70	317.96	3.20	-43.50
O=C(C1=CC2=NNC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609901	0	35	-1.0	-44.17	290.44	1.39	-42.78
O=C(C1=CC2=NNC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609901	1	35	-1.0	-44.15	290.49	1.41	-42.74
O=C(C1=CC=C(CO)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609902	0	36	-1.0	-46.06	295.47	0.09	-45.97
O=C(C1=CC=C(CO)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609902	1	36	-1.0	-46.05	295.53	0.12	-45.93
CC(C)[C@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609903	0	41	-1.0	-43.85	308.23	-1.34	-45.19
CC(C)[C@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609903	1	41	-1.0	-43.92	308.29	-1.31	-45.23
C=C(CCC(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609904	0	39	-1.0	-41.62	313.91	3.97	-37.65
C=C(CCC(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609904	1	39	-1.0	-41.65	313.97	4.00	-37.65
CCOC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609906	0	34	-1.0	-39.40	280.20	2.66	-36.74
CCOC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609906	1	34	-1.0	-39.39	280.26	2.68	-36.71
CN1C=CN=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609907	0	39	-1.0	-48.97	316.61	4.59	-44.38
CN1C=CN=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609907	1	39	-1.0	-48.99	316.67	4.62	-44.37
O=C(C1=CN(CCO)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609908	0	37	-1.0	-49.31	305.20	-0.31	-49.62
O=C(C1=CN(CCO)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609908	1	37	-1.0	-49.32	305.14	-0.34	-49.66
CC1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004609909	0	32	-1.0	-40.46	267.97	-0.12	-40.58
CC1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004609909	1	32	-1.0	-40.46	268.03	-0.10	-40.56
CCC(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609910	0	36	-1.0	-37.28	276.67	0.62	-36.66
CCC(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609910	1	36	-1.0	-37.25	276.73	0.65	-36.60
CC(C)(C)CC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609911	0	47	-1.0	-46.27	313.45	5.71	-40.56
CC(C)(C)CC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609911	1	47	-1.0	-46.28	313.51	5.73	-40.55
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C=O)O1	REAL250004609912	0	35	-1.0	-45.04	295.52	3.14	-41.90
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C=O)O1	REAL250004609912	1	35	-1.0	-45.07	295.57	3.16	-41.91
O=C(C1=CC2=CNC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609913	0	36	-1.0	-65.06	296.71	3.52	-61.54
O=C(C1=CC2=CNC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609913	1	36	-1.0	-65.04	296.77	3.54	-61.50
C=CC(CC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609914	0	39	-1.0	-46.35	306.76	5.06	-41.29
C=CC(CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609914	1	39	-1.0	-46.34	306.82	5.09	-41.25
O=C(C1=CC2=CC=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609915	0	36	-1.0	-41.99	296.41	6.79	-35.20
O=C(C1=CC2=CC=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609915	1	36	-1.0	-41.97	296.35	6.76	-35.21
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609916	0	39	-1.0	-45.50	322.13	4.81	-40.69
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609916	1	39	-1.0	-45.56	322.18	4.83	-40.73
O=C(C1=CC2=NC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609917	0	35	-1.0	-46.30	293.33	3.36	-42.94
O=C(C1=CC2=NC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609917	1	35	-1.0	-46.29	293.27	3.34	-42.95
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004609918	0	38	-1.0	-46.55	312.97	4.36	-42.19
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004609918	1	38	-1.0	-46.56	313.03	4.38	-42.18
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609920	0	35	-1.0	-46.68	289.85	2.24	-44.44
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609920	1	35	-1.0	-46.66	289.79	2.21	-44.45
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609921	0	40	-1.0	-45.23	308.69	3.15	-42.08
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609921	1	40	-1.0	-45.22	308.74	3.18	-42.04
CC1=CC=CC=C1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609922	0	42	-1.0	-47.23	323.58	6.23	-41.00
CC1=CC=CC=C1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609922	1	42	-1.0	-47.20	323.64	6.25	-40.95
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=N1	REAL250004609923	0	35	-1.0	-38.26	291.77	1.82	-36.44
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=N1	REAL250004609923	1	35	-1.0	-38.20	291.72	1.80	-36.40
O=C([C@@H]1CSCC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609924	0	35	-1.0	-47.69	290.78	0.93	-46.76
O=C([C@@H]1CSCC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609924	1	35	-1.0	-47.68	290.84	0.95	-46.73
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)F	REAL250004609926	0	38	-1.0	-45.70	297.86	4.53	-41.17
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)F	REAL250004609926	1	38	-1.0	-45.65	297.92	4.56	-41.09
CN1C(=O)CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609927	0	37	-1.0	-52.60	292.35	2.32	-50.28
CN1C(=O)CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609927	1	37	-1.0	-52.60	292.40	2.34	-50.26
O=C(C1CCCCC1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609928	0	39	-1.0	-48.04	301.63	4.94	-43.10
O=C(C1CCCCC1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609928	1	39	-1.0	-48.03	301.69	4.97	-43.06
CC1(C)C(C)(C)C1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609929	0	45	-1.0	-46.16	319.73	5.17	-40.99
CC1(C)C(C)(C)C1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609929	1	45	-1.0	-46.21	319.79	5.20	-41.01
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL250004609930	0	38	-1.0	-47.29	310.66	3.88	-43.41
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL250004609930	1	38	-1.0	-47.30	310.60	3.85	-43.45
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004609931	0	37	-1.0	-46.32	278.58	4.24	-42.08
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004609931	1	37	-1.0	-46.36	278.64	4.26	-42.10
CC(C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL250004609932	0	40	-1.0	-48.88	289.34	2.29	-46.59
CC(C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL250004609932	1	40	-1.0	-48.90	289.40	2.32	-46.58
O=C(C1=C2C=COC2=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609933	0	35	-1.0	-43.29	293.12	3.75	-39.54
O=C(C1=C2C=COC2=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609933	1	35	-1.0	-43.29	293.06	3.72	-39.57
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL250004609934	0	38	-1.0	-41.77	303.11	4.71	-37.06
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL250004609934	1	38	-1.0	-41.76	303.16	4.73	-37.03
O=C(C1CCC2=CNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609935	0	37	-1.0	-46.06	291.67	2.82	-43.24
O=C(C1CCC2=CNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609935	1	37	-1.0	-46.04	291.73	2.85	-43.19
O=C(CC1CCCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609936	0	43	-1.0	-46.20	319.85	4.00	-42.20
O=C(CC1CCCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609936	1	43	-1.0	-46.16	319.91	4.02	-42.14
C=CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004609937	0	37	-1.0	-49.54	306.57	3.59	-45.95
C=CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004609937	1	37	-1.0	-49.50	306.51	3.56	-45.94
CC1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609938	0	45	-1.0	-47.30	320.17	5.37	-41.93
CC1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609938	1	45	-1.0	-47.34	320.22	5.39	-41.95
CC(C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL250004609939	0	43	-1.0	-49.45	318.71	2.91	-46.54
CC(C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL250004609939	1	43	-1.0	-49.41	318.77	2.94	-46.47
CN1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004609940	0	35	-1.0	-60.39	290.70	1.98	-58.41
CN1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004609940	1	35	-1.0	-60.41	290.76	2.01	-58.40
CC1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609941	0	38	-1.0	-46.75	313.02	4.42	-42.33
CC1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609941	1	38	-1.0	-46.73	313.08	4.45	-42.28
CC1(C)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL250004609942	0	45	-1.0	-46.74	337.61	6.09	-40.65
CC1(C)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL250004609942	1	45	-1.0	-46.75	337.67	6.12	-40.63
NC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609943	0	35	-1.0	-42.95	289.38	2.54	-40.41
NC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609943	1	35	-1.0	-42.99	289.44	2.56	-40.43
O=C(CC1=CN=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609944	0	34	-1.0	-50.61	284.39	3.49	-47.12
O=C(CC1=CN=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609944	1	34	-1.0	-50.61	284.33	3.46	-47.15
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=N1	REAL250004609945	0	34	-1.0	-40.48	280.54	2.09	-38.39
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=N1	REAL250004609945	1	34	-1.0	-40.46	280.59	2.12	-38.34
O=C(C1=CN2C=CN=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609946	0	35	-1.0	-45.14	292.50	4.07	-41.07
O=C(C1=CN2C=CN=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609946	1	35	-1.0	-45.10	292.45	4.04	-41.06
CC[C@H](C)[C@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609947	0	39	-1.0	-44.79	289.36	2.19	-42.60
CC[C@H](C)[C@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609947	1	39	-1.0	-44.81	289.42	2.21	-42.60
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004609948	0	47	-1.0	-45.91	338.55	6.12	-39.79
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004609948	1	47	-1.0	-45.91	338.60	6.14	-39.77
O=C(C1=CC=C(F)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609949	0	34	-1.0	-45.91	287.71	1.66	-44.25
O=C(C1=CC=C(F)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609949	1	34	-1.0	-45.96	287.77	1.69	-44.27
CN1C=CC2=C1C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)N2	REAL250004609952	0	38	-1.0	-47.79	307.89	4.45	-43.34
CN1C=CC2=C1C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)N2	REAL250004609952	1	38	-1.0	-47.80	307.95	4.47	-43.33
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004609954	0	34	-1.0	-41.18	279.54	2.08	-39.10
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004609954	1	34	-1.0	-41.17	279.48	2.06	-39.11
CNC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609955	0	36	-1.0	-45.91	294.30	0.79	-45.12
CNC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609955	1	36	-1.0	-45.96	294.36	0.81	-45.15
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)C1	REAL250004609956	0	39	-1.0	-48.12	300.84	4.53	-43.59
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)C1	REAL250004609956	1	39	-1.0	-48.11	300.89	4.55	-43.56
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL250004609957	0	42	-1.0	-49.68	318.04	5.80	-43.88
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL250004609957	1	42	-1.0	-49.67	318.09	5.83	-43.84
C=C(F)C1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004609958	0	40	-1.0	-48.04	311.05	5.30	-42.74
C=C(F)C1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004609958	1	40	-1.0	-48.06	311.11	5.33	-42.73
O=C(CC(O)C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609959	0	43	-1.0	-50.14	329.03	3.41	-46.73
O=C(CC(O)C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609959	1	43	-1.0	-50.14	329.09	3.43	-46.71
CC1(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609960	0	43	-1.0	-49.27	328.29	5.27	-44.00
CC1(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609960	1	43	-1.0	-49.26	328.35	5.29	-43.97
O=C(CCC1CC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609961	0	39	-1.0	-47.43	317.67	5.49	-41.94
O=C(CCC1CC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609961	1	39	-1.0	-47.42	317.73	5.51	-41.91
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1F	REAL250004609962	0	35	-1.0	-44.92	291.57	4.07	-40.85
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1F	REAL250004609962	1	35	-1.0	-44.94	291.52	4.04	-40.90
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609963	0	38	-1.0	-44.70	295.89	3.25	-41.45
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609963	1	38	-1.0	-44.72	295.95	3.28	-41.44
CC1(C)CC1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609964	0	42	-1.0	-46.18	327.82	5.95	-40.23
CC1(C)CC1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609964	1	42	-1.0	-46.21	327.88	5.97	-40.24
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL250004609965	0	43	-1.0	-47.04	320.98	3.62	-43.42
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL250004609965	1	43	-1.0	-47.09	321.03	3.64	-43.45
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609966	0	43	-1.0	-46.71	322.54	6.17	-40.54
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609966	1	43	-1.0	-46.73	322.59	6.20	-40.53
COC1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609967	0	40	-1.0	-37.43	310.01	3.30	-34.13
COC1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609967	1	40	-1.0	-37.42	310.07	3.32	-34.10
O=C(C1CC2CCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609968	0	40	-1.0	-44.83	290.68	5.32	-39.51
O=C(C1CC2CCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609968	1	40	-1.0	-44.84	290.74	5.35	-39.49
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609969	0	39	-1.0	-54.49	315.34	4.33	-50.16
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609969	1	39	-1.0	-54.51	315.40	4.36	-50.15
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL250004609970	0	35	-1.0	-45.89	297.64	3.68	-42.21
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL250004609970	1	35	-1.0	-45.89	297.70	3.71	-42.18
O=C(C1=NNC=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609971	0	37	-1.0	-42.95	298.44	3.60	-39.35
O=C(C1=NNC=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609971	1	37	-1.0	-42.96	298.50	3.63	-39.33
O=C(C1CCC2CC2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609972	0	43	-1.0	-45.94	320.55	6.06	-39.88
O=C(C1CCC2CC2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609972	1	43	-1.0	-45.94	320.61	6.08	-39.86
O=C(CC1CCC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609973	0	43	-1.0	-45.97	320.79	6.13	-39.84
O=C(CC1CCC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609973	1	43	-1.0	-46.02	320.85	6.15	-39.87
O=C(C1=CCCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609974	0	38	-1.0	-37.76	286.99	2.71	-35.05
O=C(C1=CCCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609974	1	38	-1.0	-37.70	287.05	2.74	-34.96
CC1(C)CCC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609975	0	43	-1.0	-45.63	326.16	5.75	-39.88
CC1(C)CCC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609975	1	43	-1.0	-45.64	326.22	5.77	-39.87
O=C(C=CC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609976	0	36	-1.0	-40.78	298.38	4.17	-36.61
O=C(C=CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609976	1	36	-1.0	-40.75	298.44	4.19	-36.56
O=C(C1=CC=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609977	0	37	-1.0	-43.77	304.66	5.11	-38.66
O=C(C1=CC=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609977	1	37	-1.0	-43.73	304.72	5.14	-38.59
CC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609978	0	39	-1.0	-46.17	304.15	5.17	-41.00
CC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609978	1	39	-1.0	-46.12	304.21	5.20	-40.92
O=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004609979	0	32	-1.0	-49.79	275.23	2.91	-46.88
O=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004609979	1	32	-1.0	-49.82	275.28	2.93	-46.89
NC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609980	0	31	-1.0	-38.47	261.46	-2.35	-40.82
NC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004609980	1	31	-1.0	-38.44	261.41	-2.38	-40.82
O=C(C1CCC1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609981	0	33	-1.0	-51.10	264.84	3.80	-47.30
O=C(C1CCC1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609981	1	33	-1.0	-51.06	264.90	3.82	-47.24
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609982	0	41	-1.0	-46.39	309.40	6.02	-40.37
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609982	1	41	-1.0	-46.38	309.46	6.04	-40.34
CC1CC2CC2CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609983	0	43	-1.0	-45.23	320.07	6.04	-39.19
CC1CC2CC2CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609983	1	43	-1.0	-45.23	320.13	6.07	-39.16
CCCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609984	0	42	-1.0	-45.54	328.70	6.57	-38.97
CCCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609984	1	42	-1.0	-45.52	328.76	6.60	-38.92
CN1C=CC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609985	0	36	-1.0	-66.94	300.95	3.83	-63.11
CN1C=CC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609985	1	36	-1.0	-66.92	301.01	3.86	-63.06
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004609986	0	36	-1.0	-48.15	293.12	3.29	-44.86
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004609986	1	36	-1.0	-48.13	293.18	3.31	-44.82
O=C(C=CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609987	0	37	-1.0	-38.27	303.51	5.93	-32.34
O=C(C=CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609987	1	37	-1.0	-38.28	303.56	5.95	-32.33
O=C(C1=CC=CC(F)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609988	1	34	-1.0	-50.29	287.22	1.94	-48.35
O=C(C1=CC=CC(F)=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609988	1	34	-1.0	-50.25	287.28	1.97	-48.28
CC1=CC=CC(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609989	0	38	-1.0	-43.98	318.11	5.09	-38.89
CC1=CC=CC(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609989	1	38	-1.0	-43.95	318.17	5.11	-38.84
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609990	0	43	-1.0	-46.14	314.50	6.01	-40.13
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609990	1	43	-1.0	-46.14	314.56	6.03	-40.11
O=C(C1=NC2=CNN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609991	0	35	-1.0	-41.37	291.03	2.07	-39.30
O=C(C1=NC2=CNN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609991	1	35	-1.0	-41.37	291.08	2.10	-39.27
O=C(C1=CC=C(CO)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609992	0	36	-1.0	-43.87	297.30	0.85	-43.02
O=C(C1=CC=C(CO)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609992	1	36	-1.0	-43.84	297.25	0.83	-43.01
CC1=NOC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609993	0	35	-1.0	-50.89	291.48	3.43	-47.46
CC1=NOC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609993	1	35	-1.0	-50.87	291.54	3.45	-47.42
CCN1C(=O)NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609994	0	37	-1.0	-46.63	307.76	2.21	-44.42
CCN1C(=O)NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609994	1	37	-1.0	-46.60	307.82	2.24	-44.36
CNC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609995	0	37	-1.0	-45.40	299.41	2.81	-42.59
CNC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609995	1	37	-1.0	-45.38	299.47	2.84	-42.54
COC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609996	0	37	-1.0	-48.94	294.64	2.75	-46.19
COC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609996	1	37	-1.0	-48.95	294.69	2.78	-46.17
O=C(CC1CCC2CC2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609997	0	43	-1.0	-46.33	322.19	6.34	-39.99
O=C(CC1CCC2CC2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609997	1	43	-1.0	-46.32	322.24	6.36	-39.96
CC1=NSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609998	0	32	-1.0	-42.87	275.49	2.63	-40.24
CC1=NSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609998	1	32	-1.0	-42.85	275.55	2.66	-40.19
C#CC1(O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004609999	0	36	-1.0	-48.11	298.20	1.37	-46.74
C#CC1(O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004609999	1	36	-1.0	-48.16	298.25	1.40	-46.76
O=C(C1=C2C=CC=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610000	0	36	-1.0	-49.10	295.49	6.65	-42.45
O=C(C1=C2C=CC=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610000	1	36	-1.0	-49.09	295.43	6.63	-42.46
CCOCCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610002	0	43	-1.0	-46.11	345.69	2.74	-43.37
CCOCCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610002	1	43	-1.0	-46.14	345.75	2.76	-43.38
O=C([C@@H]1C[C@H]1CF)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610003	0	33	-1.0	-48.96	272.61	4.00	-44.96
O=C([C@@H]1C[C@H]1CF)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610003	1	33	-1.0	-48.95	272.68	4.03	-44.92
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610004	0	41	-1.0	-44.65	320.65	4.32	-40.33
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610004	1	41	-1.0	-44.63	320.71	4.35	-40.28
CC(C)(CF)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610005	0	35	-1.0	-43.21	269.47	3.22	-39.99
CC(C)(CF)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610005	1	35	-1.0	-43.22	269.52	3.25	-39.97
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCNC(=O)C1	REAL250004610006	0	40	-1.0	-55.99	299.07	0.78	-55.21
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCNC(=O)C1	REAL250004610006	1	40	-1.0	-55.99	299.13	0.81	-55.18
CC1=CSC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610007	0	36	-1.0	-47.23	306.57	5.23	-42.00
CC1=CSC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610007	1	36	-1.0	-47.23	306.63	5.26	-41.97
O=C(C#CC1CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610008	0	39	-1.0	-44.56	317.29	4.02	-40.54
O=C(C#CC1CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610008	1	39	-1.0	-44.57	317.34	4.04	-40.53
O=C(C1CC=CCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610010	0	35	-1.0	-48.55	276.08	3.48	-45.07
O=C(C1CC=CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610010	1	35	-1.0	-48.56	276.14	3.51	-45.05
O=C(CC1CC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610011	0	36	-1.0	-50.46	289.11	4.61	-45.85
O=C(CC1CC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610011	1	36	-1.0	-50.45	289.17	4.64	-45.81
O=C(C1CC2(CC2(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610012	0	37	-1.0	-45.92	306.24	5.22	-40.70
O=C(C1CC2(CC2(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610012	1	37	-1.0	-45.87	306.30	5.25	-40.62
O=C(C1=CN2N=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610013	0	35	-1.0	-38.80	289.57	4.83	-33.97
O=C(C1=CN2N=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610013	1	35	-1.0	-38.80	289.52	4.80	-34.00
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C=O)=C1	REAL250004610014	0	36	-1.0	-43.52	299.53	2.96	-40.56
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C=O)=C1	REAL250004610014	1	36	-1.0	-43.53	299.59	2.98	-40.55
O=C(C1CCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610015	0	33	-1.0	-54.68	279.10	-0.31	-54.99
O=C(C1CCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610015	1	33	-1.0	-54.67	279.16	-0.28	-54.95
O=C(CC(O)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610016	0	37	-1.0	-49.80	294.23	2.55	-47.25
O=C(CC(O)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610016	1	37	-1.0	-49.85	294.28	2.57	-47.28
CC1=NSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL250004610017	0	34	-1.0	-40.11	288.03	0.72	-39.39
CC1=NSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL250004610017	1	34	-1.0	-40.12	288.09	0.74	-39.38
O=C(C1=CC=CC=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610018	0	40	-1.0	-47.38	316.22	6.47	-40.91
O=C(C1=CC=CC=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610018	1	40	-1.0	-47.37	316.28	6.49	-40.88
O=C(C=CC1=NC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610019	0	33	-1.0	-44.82	291.13	3.28	-41.54
O=C(C=CC1=NC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610019	1	33	-1.0	-44.80	291.19	3.30	-41.50
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL250004610020	0	34	-1.0	-50.61	291.76	2.91	-47.70
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL250004610020	1	34	-1.0	-50.66	291.81	2.94	-47.72
O=C(C1C(F)(F)C12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610021	0	37	-1.0	-45.36	302.86	5.28	-40.08
O=C(C1C(F)(F)C12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610021	1	37	-1.0	-45.34	302.92	5.30	-40.04
C=C(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610022	0	39	-1.0	-46.85	312.11	5.24	-41.61
C=C(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610022	1	39	-1.0	-46.84	312.16	5.27	-41.57
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004610023	0	35	-1.0	-42.63	281.36	3.82	-38.81
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004610023	1	35	-1.0	-42.65	281.42	3.84	-38.81
CCCC(C(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610024	0	41	-1.0	-48.35	326.10	4.48	-43.87
CCCC(C(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610024	1	41	-1.0	-48.35	326.16	4.51	-43.84
O=C(CCC[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004610025	0	34	-1.0	-53.44	285.29	3.64	-49.80
O=C(CCC[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004610025	1	34	-1.0	-53.45	285.35	3.67	-49.78
CC1(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610026	0	37	-1.0	-46.67	292.22	4.69	-41.98
CC1(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610026	1	37	-1.0	-46.63	292.28	4.71	-41.92
O=C(C#CC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610027	0	41	-1.0	-44.23	326.35	6.40	-37.83
O=C(C#CC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610027	1	41	-1.0	-44.17	326.41	6.42	-37.75
O=C(C1=NNC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610028	0	30	-1.0	-48.63	265.08	2.00	-46.63
O=C(C1=NNC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610028	1	30	-1.0	-48.58	265.13	2.02	-46.56
O=C(C(O)C1(O)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610029	0	38	-1.0	-42.41	288.02	0.28	-42.13
O=C(C(O)C1(O)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610029	1	38	-1.0	-42.40	288.08	0.30	-42.10
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CO)CCCO1	REAL250004610030	0	38	-1.0	-45.93	287.04	0.10	-45.83
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CO)CCCO1	REAL250004610030	1	38	-1.0	-45.91	287.10	0.12	-45.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CO)CCC1	REAL250004610032	0	37	-1.0	-39.39	281.60	1.02	-38.37
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CO)CCC1	REAL250004610032	1	37	-1.0	-39.36	281.66	1.05	-38.31
CC(O)C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610033	0	33	-1.0	-39.99	274.16	0.76	-39.23
CC(O)C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610033	1	33	-1.0	-40.04	274.21	0.79	-39.25
CC(CN1C=CN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610034	0	39	-1.0	-45.21	312.43	5.40	-39.81
CC(CN1C=CN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610034	1	39	-1.0	-45.23	312.48	5.42	-39.81
O=C(N1CC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610035	0	39	-1.0	-47.49	306.83	5.11	-42.38
O=C(N1CC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610035	1	39	-1.0	-47.44	306.88	5.13	-42.31
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCO1	REAL250004610036	0	43	-1.0	-38.30	312.76	3.85	-34.45
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCO1	REAL250004610036	1	43	-1.0	-38.27	312.82	3.88	-34.39
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004610037	0	41	-1.0	-46.36	300.88	4.51	-41.85
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004610037	1	41	-1.0	-46.39	300.93	4.54	-41.85
O=C(C1=CC=CC2=CC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610038	0	36	-1.0	-53.38	301.93	4.22	-49.16
O=C(C1=CC=CC2=CC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610038	1	36	-1.0	-53.47	301.88	4.19	-49.28
O=C(C1=COC2=C1COC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610039	0	35	-1.0	-48.54	287.98	2.01	-46.53
O=C(C1=COC2=C1COC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610039	1	35	-1.0	-48.53	288.03	2.03	-46.50
C=CCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610040	0	40	-1.0	-45.98	322.21	6.35	-39.63
C=CCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610040	1	40	-1.0	-45.99	322.27	6.38	-39.61
N#CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004610041	0	34	-1.0	-56.51	296.21	3.32	-53.19
N#CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004610041	1	34	-1.0	-56.50	296.16	3.29	-53.21
O=C(CCC1=CON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610042	0	35	-1.0	-47.21	291.13	3.68	-43.53
O=C(CCC1=CON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610042	1	35	-1.0	-47.21	291.08	3.65	-43.56
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL250004610043	0	36	-1.0	-48.84	292.09	3.30	-45.54
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL250004610043	1	36	-1.0	-48.84	292.14	3.33	-45.51
O=C(C1C2CCOCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610044	0	38	-1.0	-49.49	287.34	4.56	-44.93
O=C(C1C2CCOCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610044	1	38	-1.0	-49.47	287.39	4.59	-44.88
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610045	0	39	-1.0	-47.82	317.11	5.00	-42.82
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610045	1	39	-1.0	-47.82	317.17	5.02	-42.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CC1CC1	REAL250004610046	0	36	-1.0	-37.39	296.07	4.79	-32.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CC1CC1	REAL250004610046	1	36	-1.0	-37.42	296.12	4.82	-32.60
O=C(C#CC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610047	0	36	-1.0	-46.89	299.50	3.41	-43.48
O=C(C#CC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610047	1	36	-1.0	-46.88	299.56	3.44	-43.44
COC1=NOC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610048	0	36	-1.0	-52.51	302.60	1.03	-51.48
COC1=NOC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610048	1	36	-1.0	-52.51	302.65	1.06	-51.45
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C)O1	REAL250004610049	0	39	-1.0	-45.23	315.53	4.94	-40.29
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C)O1	REAL250004610049	1	39	-1.0	-45.24	315.58	4.97	-40.27
O=C(C1=CC=C(Cl)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610050	0	31	-1.0	-42.92	271.08	3.14	-39.78
O=C(C1=CC=C(Cl)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610050	1	31	-1.0	-42.97	271.13	3.17	-39.80
CC1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610051	0	37	-1.0	-47.09	295.54	3.93	-43.16
CC1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610051	1	37	-1.0	-47.09	295.60	3.95	-43.14
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL250004610052	0	39	-1.0	-44.60	315.52	4.92	-39.68
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL250004610052	1	39	-1.0	-44.62	315.58	4.94	-39.68
CC1OCCC1(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610053	0	37	-1.0	-42.64	280.97	2.58	-40.06
CC1OCCC1(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610053	1	37	-1.0	-42.69	281.02	2.60	-40.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)COC1	REAL250004610054	0	32	-1.0	-44.52	259.92	-1.63	-46.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)COC1	REAL250004610054	1	32	-1.0	-44.51	259.98	-1.61	-46.12
CCC(C)(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610055	0	47	-1.0	-46.27	347.11	6.19	-40.08
CCC(C)(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610055	1	47	-1.0	-46.25	347.17	6.22	-40.03
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=N1	REAL250004610056	0	35	-1.0	-38.26	285.33	0.73	-37.53
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=N1	REAL250004610056	1	35	-1.0	-38.27	285.38	0.76	-37.51
O=C(C1=CCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610057	0	32	-1.0	-40.89	269.75	3.70	-37.19
O=C(C1=CCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610057	1	32	-1.0	-40.91	269.81	3.72	-37.19
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004610058	0	39	-1.0	-45.04	301.60	4.99	-40.05
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004610058	1	39	-1.0	-45.04	301.65	5.01	-40.03
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL250004610059	0	32	-1.0	-46.24	272.73	3.13	-43.11
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL250004610059	1	32	-1.0	-46.26	272.67	3.10	-43.16
CC1(C)CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610060	0	42	-1.0	-46.35	309.17	4.80	-41.55
CC1(C)CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610060	1	42	-1.0	-46.36	309.23	4.82	-41.54
CSC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004610061	0	39	-1.0	-45.09	310.34	4.52	-40.57
CSC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004610061	1	39	-1.0	-45.10	310.39	4.55	-40.55
O=C(C1CC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610062	0	33	-1.0	-44.22	267.60	3.80	-40.42
O=C(C1CC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610062	1	33	-1.0	-44.27	267.66	3.82	-40.45
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL250004610063	0	38	-1.0	-44.59	308.60	3.90	-40.69
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL250004610063	1	38	-1.0	-44.60	308.66	3.93	-40.67
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CC1=O)C2	REAL250004610064	0	39	-1.0	-51.75	298.67	4.04	-47.71
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CC1=O)C2	REAL250004610064	1	39	-1.0	-51.75	298.72	4.06	-47.69
O=C(CC1(O)CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610065	0	41	-1.0	-51.54	313.66	1.50	-50.04
O=C(CC1(O)CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610065	1	41	-1.0	-51.56	313.71	1.53	-50.03
N#CC1=CNN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610066	0	31	-1.0	-55.57	270.28	1.95	-53.62
N#CC1=CNN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610066	1	31	-1.0	-55.55	270.34	1.98	-53.57
O=C(C=CC1=COC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610067	0	33	-1.0	-43.82	281.41	0.75	-43.07
O=C(C=CC1=COC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610067	1	33	-1.0	-43.80	281.46	0.77	-43.03
O=C(CCC1=NNC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610068	0	36	-1.0	-47.69	295.93	2.61	-45.08
O=C(CCC1=NNC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610068	1	36	-1.0	-47.66	295.98	2.64	-45.02
CC1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610069	0	39	-1.0	-46.36	287.97	4.26	-42.10
CC1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610069	1	39	-1.0	-46.35	288.02	4.29	-42.06
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004610070	0	41	-1.0	-40.27	310.97	2.38	-37.89
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004610070	1	41	-1.0	-40.25	311.03	2.40	-37.85
CCC1=CNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610071	0	37	-1.0	-50.99	297.38	3.76	-47.23
CCC1=CNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610071	1	37	-1.0	-51.00	297.43	3.79	-47.21
C#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004610072	0	38	-1.0	-44.79	297.62	4.89	-39.90
C#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004610072	1	38	-1.0	-44.79	297.68	4.92	-39.87
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C#N)C1	REAL250004610073	0	37	-1.0	-46.76	293.02	4.13	-42.63
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C#N)C1	REAL250004610073	1	37	-1.0	-46.74	293.07	4.15	-42.59
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CO)CC1	REAL250004610074	0	34	-1.0	-51.03	274.51	0.17	-50.86
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CO)CC1	REAL250004610074	1	34	-1.0	-51.04	274.57	0.19	-50.85
O=C(CC1(O)CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610075	0	38	-1.0	-47.60	295.22	0.32	-47.28
O=C(CC1(O)CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610075	1	38	-1.0	-47.59	295.28	0.35	-47.24
CN(C)C(=O)C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610076	0	37	-1.0	-43.49	302.84	2.47	-41.02
CN(C)C(=O)C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610076	1	37	-1.0	-43.44	302.90	2.49	-40.95
O=C(C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1CC1	REAL250004610077	0	38	-1.0	-45.00	317.07	2.27	-42.73
O=C(C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1CC1	REAL250004610077	1	38	-1.0	-45.03	317.13	2.30	-42.73
O=C(CC1=CNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610078	0	33	-1.0	-50.52	274.61	1.96	-48.56
O=C(CC1=CNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610078	1	33	-1.0	-50.52	274.55	1.93	-48.59
CC1=CN(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL250004610079	0	39	-1.0	-44.17	314.52	3.82	-40.35
CC1=CN(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL250004610079	1	39	-1.0	-44.15	314.46	3.80	-40.35
O=C(COC1=NOC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610080	0	33	-1.0	-49.61	281.56	1.51	-48.10
O=C(COC1=NOC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610080	1	33	-1.0	-49.59	281.51	1.48	-48.11
O=C(C1=CC2=NC=NN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610081	0	35	-1.0	-41.80	296.70	5.07	-36.73
O=C(C1=CC2=NC=NN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610081	1	35	-1.0	-41.80	296.64	5.04	-36.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=CN=N2)CC1	REAL250004610082	0	36	-1.0	-42.19	298.81	2.40	-39.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=CN=N2)CC1	REAL250004610082	1	36	-1.0	-42.20	298.75	2.38	-39.82
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CC1)CC2	REAL250004610083	0	43	-1.0	-35.99	305.90	5.19	-30.80
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CC1)CC2	REAL250004610083	1	43	-1.0	-35.98	305.96	5.21	-30.77
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610084	0	41	-1.0	-47.43	301.30	3.34	-44.09
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610084	1	41	-1.0	-47.46	301.36	3.36	-44.10
O=C(CC1(CO)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610085	0	40	-1.0	-44.93	307.96	1.64	-43.29
O=C(CC1(CO)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610085	1	40	-1.0	-44.97	308.01	1.67	-43.30
CCC(CCOC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610086	0	42	-1.0	-47.53	325.70	3.33	-44.20
CCC(CCOC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610086	1	42	-1.0	-47.60	325.75	3.35	-44.25
CC1=NC(N)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610087	0	36	-1.0	-43.62	295.40	2.35	-41.27
CC1=NC(N)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610087	1	36	-1.0	-43.62	295.46	2.37	-41.25
CN1N=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610088	0	36	-1.0	-51.74	294.93	2.96	-48.78
CN1N=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610088	1	36	-1.0	-51.75	294.99	2.99	-48.76
CC1(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004610089	0	39	-1.0	-46.33	319.42	3.97	-42.36
CC1(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004610089	1	39	-1.0	-46.34	319.48	3.99	-42.35
O=C(C1CSC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610090	0	32	-1.0	-52.87	274.92	0.11	-52.76
O=C(C1CSC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610090	1	32	-1.0	-52.88	274.97	0.14	-52.74
NC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL250004610091	0	34	-1.0	-51.60	287.46	-1.84	-53.44
NC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL250004610091	1	34	-1.0	-51.59	287.51	-1.81	-53.40
CC1(C)C(O)CC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610092	0	43	-1.0	-46.34	329.88	2.23	-44.11
CC1(C)C(O)CC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610092	1	43	-1.0	-46.34	329.94	2.26	-44.08
O=C(C1=CC2(C1)CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610093	0	39	-1.0	-46.66	307.05	3.42	-43.24
O=C(C1=CC2(C1)CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610093	1	39	-1.0	-46.66	307.10	3.44	-43.22
O=C(C1=CC=NN1CCF)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610094	0	36	-1.0	-44.99	296.39	3.21	-41.78
O=C(C1=CC=NN1CCF)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610094	1	36	-1.0	-45.00	296.33	3.19	-41.81
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL250004610095	0	35	-1.0	-46.28	292.85	3.87	-42.41
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL250004610095	1	35	-1.0	-46.25	292.79	3.84	-42.41
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL250004610096	0	35	-1.0	-46.69	273.64	2.84	-43.85
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL250004610096	1	35	-1.0	-46.66	273.69	2.87	-43.79
CCCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610097	0	39	-1.0	-48.18	315.48	4.45	-43.73
CCCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610097	1	39	-1.0	-48.23	315.42	4.42	-43.81
C[C@H](CC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610098	0	35	-1.0	-42.85	286.05	3.85	-39.00
C[C@H](CC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610098	1	35	-1.0	-42.90	286.11	3.88	-39.02
CCN1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610099	0	37	-1.0	-46.11	294.91	4.77	-41.34
CCN1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610099	1	37	-1.0	-46.13	294.97	4.80	-41.33
CC(=CN1C=CN=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610100	0	36	-1.0	-47.45	299.00	3.07	-44.38
CC(=CN1C=CN=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610100	1	36	-1.0	-47.43	299.06	3.10	-44.33
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC(F)F)CCC1	REAL250004610101	0	39	-1.0	-50.76	304.17	4.64	-46.12
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC(F)F)CCC1	REAL250004610101	1	39	-1.0	-50.78	304.23	4.67	-46.11
O=C(C(F)=CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610102	0	34	-1.0	-38.16	283.54	4.58	-33.58
O=C(C(F)=CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610102	1	34	-1.0	-38.18	283.60	4.61	-33.57
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610103	0	37	-1.0	-45.34	295.55	4.94	-40.40
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610103	1	37	-1.0	-45.37	295.60	4.96	-40.41
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C)C=N1	REAL250004610104	0	36	-1.0	-46.43	297.58	4.26	-42.17
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C)C=N1	REAL250004610104	1	36	-1.0	-46.39	297.64	4.29	-42.10
COC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610105	0	34	-1.0	-37.51	282.33	-0.91	-38.42
COC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610105	1	34	-1.0	-37.49	282.38	-0.89	-38.38
CC1CC(=O)NC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610106	0	37	-1.0	-52.16	295.67	0.81	-51.35
CC1CC(=O)NC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610106	1	37	-1.0	-52.14	295.72	0.84	-51.30
COCC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610107	0	36	-1.0	-39.69	300.81	1.74	-37.95
COCC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610107	1	36	-1.0	-39.69	300.87	1.77	-37.92
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC12CCC2	REAL250004610108	0	38	-1.0	-42.76	309.64	5.02	-37.74
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC12CCC2	REAL250004610108	1	38	-1.0	-42.79	309.70	5.04	-37.75
O=C(C1CC2(C1)CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610109	0	41	-1.0	-46.23	316.78	3.55	-42.68
O=C(C1CC2(C1)CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610109	1	41	-1.0	-46.23	316.83	3.57	-42.66
O=C(C1=CC=C2CCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610110	0	39	-1.0	-42.95	310.27	5.30	-37.65
O=C(C1=CC=C2CCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610110	1	39	-1.0	-42.94	310.33	5.32	-37.62
CCC1(CC)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610111	0	45	-1.0	-45.95	335.16	5.98	-39.97
CCC1(CC)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610111	1	45	-1.0	-45.92	335.22	6.01	-39.91
O=C(CN1N=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610112	0	31	-1.0	-53.27	265.04	1.59	-51.68
O=C(CN1N=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610112	1	31	-1.0	-53.28	264.98	1.57	-51.71
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]21	REAL250004610113	0	43	-1.0	-47.29	318.99	5.79	-41.50
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]21	REAL250004610113	1	43	-1.0	-47.31	319.05	5.82	-41.49
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610114	0	39	-1.0	-51.24	317.43	4.94	-46.30
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610114	1	39	-1.0	-51.27	317.49	4.96	-46.31
CC(C)=CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610115	0	39	-1.0	-45.77	308.09	5.23	-40.54
CC(C)=CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610115	1	39	-1.0	-45.74	308.14	5.26	-40.48
COC1=CC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610116	0	36	-1.0	-42.35	294.82	2.00	-40.35
COC1=CC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610116	1	36	-1.0	-42.38	294.88	2.03	-40.35
CC(=O)OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610117	0	38	-1.0	-49.65	313.19	4.20	-45.45
CC(=O)OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610117	1	38	-1.0	-49.69	313.24	4.23	-45.46
O=C(C1=NN(CCF)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610118	0	36	-1.0	-48.26	300.57	3.83	-44.43
O=C(C1=NN(CCF)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610118	1	36	-1.0	-48.26	300.51	3.80	-44.46
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(=O)C1	REAL250004610119	0	38	-1.0	-45.89	290.63	3.45	-42.44
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(=O)C1	REAL250004610119	1	38	-1.0	-45.87	290.69	3.48	-42.39
CC1=NC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL250004610120	0	35	-1.0	-49.16	301.41	3.42	-45.74
CC1=NC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL250004610120	1	35	-1.0	-49.13	301.46	3.45	-45.68
CC(=O)CC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610121	0	40	-1.0	-43.71	299.73	3.70	-40.01
CC(=O)CC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610121	1	40	-1.0	-43.68	299.79	3.72	-39.96
CC1=CNC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610122	0	39	-1.0	-47.25	317.38	3.51	-43.74
CC1=CNC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610122	1	39	-1.0	-47.22	317.43	3.54	-43.68
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004610123	0	37	-1.0	-60.86	289.17	2.40	-58.46
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004610123	1	37	-1.0	-60.85	289.12	2.37	-58.48
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004610124	0	41	-1.0	-49.58	312.95	3.35	-46.23
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004610124	1	41	-1.0	-49.58	313.01	3.38	-46.20
CCCC(CC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610126	0	44	-1.0	-45.66	330.68	5.87	-39.79
CCCC(CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610126	1	44	-1.0	-45.68	330.73	5.90	-39.78
O=C(C1C(F)(F)C12CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610127	0	34	-1.0	-45.88	290.15	4.81	-41.07
O=C(C1C(F)(F)C12CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610127	1	34	-1.0	-45.90	290.21	4.83	-41.07
C=CCOC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610128	0	38	-1.0	-44.66	318.95	1.02	-43.64
C=CCOC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610128	1	38	-1.0	-44.63	319.01	1.05	-43.58
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL250004610129	0	37	-1.0	-44.73	303.73	2.59	-42.14
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL250004610129	1	37	-1.0	-44.71	303.79	2.61	-42.10
COC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610130	0	36	-1.0	-45.31	294.93	1.86	-43.45
COC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610130	1	36	-1.0	-45.27	294.88	1.84	-43.43
O=C(C[C@H]1COC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610131	0	35	-1.0	-53.73	286.20	-0.15	-53.88
O=C(C[C@H]1COC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610131	1	35	-1.0	-53.70	286.26	-0.13	-53.83
CN1C=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610132	0	33	-1.0	-45.16	268.42	3.77	-41.39
CN1C=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610132	1	33	-1.0	-45.17	268.36	3.74	-41.43
O=C(COC1CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610133	0	41	-1.0	-49.12	322.26	3.10	-46.02
O=C(COC1CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610133	1	41	-1.0	-49.12	322.32	3.12	-46.00
CC(C)NC(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610134	0	36	-1.0	-40.04	291.12	0.71	-39.33
CC(C)NC(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610134	1	36	-1.0	-40.06	291.18	0.74	-39.32
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL250004610135	0	33	-1.0	-38.62	279.32	2.79	-35.83
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL250004610135	1	33	-1.0	-38.63	279.27	2.77	-35.86
CC1(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(F)F	REAL250004610136	0	36	-1.0	-44.41	290.99	4.49	-39.92
CC1(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(F)F	REAL250004610136	1	36	-1.0	-44.39	291.04	4.51	-39.88
O=C(C(F)CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610137	0	36	-1.0	-44.71	292.90	4.78	-39.93
O=C(C(F)CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610137	1	36	-1.0	-44.75	292.96	4.80	-39.95
O=C(C1=NC=C(Cl)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610138	0	31	-1.0	-39.36	278.76	2.81	-36.55
O=C(C1=NC=C(Cl)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610138	1	31	-1.0	-39.40	278.70	2.78	-36.62
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(N)(=O)=O	REAL250004610139	0	34	-1.0	-59.39	285.31	-2.60	-61.99
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(N)(=O)=O	REAL250004610139	1	34	-1.0	-59.38	285.36	-2.57	-61.95
CC1=CNC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610140	0	37	-1.0	-47.30	307.79	3.45	-43.85
CC1=CNC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610140	1	37	-1.0	-47.27	307.85	3.47	-43.80
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL250004610141	0	42	-1.0	-45.67	320.35	5.85	-39.82
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004610141	1	42	-1.0	-45.70	320.41	5.88	-39.82
CC(=CC1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610142	0	37	-1.0	-46.11	295.06	4.99	-41.12
CC(=CC1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610142	1	37	-1.0	-46.12	295.11	5.01	-41.11
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004610143	0	39	-1.0	-41.40	314.48	3.98	-37.42
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004610143	1	39	-1.0	-41.39	314.42	3.96	-37.43
O=C(C1CC2(CC(=O)N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610144	0	38	-1.0	-52.45	306.97	0.77	-51.68
O=C(C1CC2(CC(=O)N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610144	1	38	-1.0	-52.46	307.03	0.80	-51.66
O=C(CCOC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610145	0	37	-1.0	-44.61	300.58	3.29	-41.32
O=C(CCOC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610145	1	37	-1.0	-44.60	300.64	3.31	-41.29
COCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610146	0	37	-1.0	-47.45	301.74	0.81	-46.64
COCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610146	1	37	-1.0	-47.48	301.68	0.79	-46.69
CC1(C)OC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004610147	0	38	-1.0	-47.78	300.79	2.66	-45.12
CC1(C)OC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004610147	1	38	-1.0	-47.81	300.84	2.69	-45.12
O=C(C=CC1=CC=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610148	0	35	-1.0	-41.23	295.87	4.21	-37.02
O=C(C=CC1=CC=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610148	1	35	-1.0	-41.28	295.92	4.24	-37.04
CC(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL250004610149	0	38	-1.0	-41.19	310.41	2.39	-38.80
CC(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL250004610149	1	38	-1.0	-41.19	310.47	2.41	-38.78
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610150	0	35	-1.0	-47.19	291.82	0.56	-46.63
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610150	1	35	-1.0	-47.14	291.87	0.59	-46.55
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004610151	0	37	-1.0	-47.53	296.49	4.78	-42.75
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004610151	1	37	-1.0	-47.56	296.55	4.80	-42.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCCOC1	REAL250004610152	0	37	-1.0	-42.06	287.13	2.34	-39.72
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCCOC1	REAL250004610152	1	37	-1.0	-42.05	287.19	2.37	-39.68
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL250004610153	0	41	-1.0	-46.66	312.69	5.44	-41.22
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL250004610153	1	41	-1.0	-46.62	312.75	5.47	-41.15
O=C(C(F)CC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610154	0	42	-1.0	-45.39	323.47	5.78	-39.61
O=C(C(F)CC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610154	1	42	-1.0	-45.38	323.53	5.81	-39.57
O=C(C1CC2(C1)CCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610155	0	41	-1.0	-49.80	316.78	3.72	-46.08
O=C(C1CC2(C1)CCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610155	1	41	-1.0	-49.85	316.84	3.75	-46.10
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CC1	REAL250004610156	0	41	-1.0	-39.18	312.79	4.27	-34.91
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CC1	REAL250004610156	1	41	-1.0	-39.18	312.85	4.30	-34.88
CCCC(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610157	0	36	-1.0	-45.36	283.28	1.66	-43.70
CCCC(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610157	1	36	-1.0	-45.40	283.34	1.68	-43.72
NC(=O)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610158	0	33	-1.0	-43.17	284.57	-1.36	-44.53
NC(=O)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610158	1	33	-1.0	-43.16	284.52	-1.39	-44.55
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CCC1	REAL250004610159	0	41	-1.0	-48.50	311.99	4.26	-44.24
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CCC1	REAL250004610159	1	41	-1.0	-48.45	312.05	4.28	-44.17
O=C([C@H]1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610160	0	40	-1.0	-48.98	316.05	6.38	-42.60
O=C([C@H]1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610160	1	40	-1.0	-48.96	316.10	6.41	-42.55
O=C(C1=C2C=CN=C2NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610161	0	36	-1.0	-61.17	295.39	3.81	-57.36
O=C(C1=C2C=CNC2=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610161	1	36	-1.0	-49.51	297.27	3.76	-45.75
O=C(C1=C2C=CN=C2NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610161	1	36	-1.0	-61.11	295.45	3.83	-57.28
O=C(C1=C2C=CNC2=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610161	1	36	-1.0	-49.52	297.32	3.79	-45.73
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(F)C1	REAL250004610162	0	36	-1.0	-52.15	277.76	3.80	-48.35
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(F)C1	REAL250004610162	1	36	-1.0	-52.13	277.82	3.83	-48.30
CC1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610163	0	42	-1.0	-47.08	306.56	4.92	-42.16
CC1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610163	1	42	-1.0	-47.10	306.62	4.95	-42.15
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=CO1	REAL250004610164	0	39	-1.0	-46.12	320.58	4.92	-41.20
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=CO1	REAL250004610164	1	39	-1.0	-46.09	320.64	4.95	-41.14
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCC1CCC2	REAL250004610165	0	43	-1.0	-47.71	309.67	5.44	-42.27
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCC1CCC2	REAL250004610165	1	43	-1.0	-47.71	309.73	5.46	-42.25
COCCC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610166	0	45	-1.0	-45.12	335.74	3.90	-41.22
COCCC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610166	1	45	-1.0	-45.11	335.80	3.92	-41.19
O=C(C1=COC(C(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610167	0	32	-1.0	-45.91	281.24	1.29	-44.62
O=C(C1=COC(C(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610167	1	32	-1.0	-45.96	281.29	1.31	-44.65
CCSC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610168	0	36	-1.0	-48.12	294.78	4.23	-43.89
CCSC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610168	1	36	-1.0	-48.11	294.84	4.25	-43.86
O=C(CC1COCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610169	0	38	-1.0	-50.77	299.68	2.40	-48.37
O=C(CC1COCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610169	1	38	-1.0	-50.72	299.74	2.43	-48.29
CCC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610170	0	42	-1.0	-46.05	318.59	5.42	-40.63
CCC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610170	1	42	-1.0	-46.06	318.64	5.44	-40.62
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)F	REAL250004610171	0	35	-1.0	-47.47	284.32	4.06	-43.41
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)F	REAL250004610171	1	35	-1.0	-47.42	284.38	4.08	-43.34
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)C=N1	REAL250004610172	0	38	-1.0	-44.04	304.89	3.90	-40.14
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)C=N1	REAL250004610172	1	38	-1.0	-44.01	304.95	3.93	-40.08
O=C(C1=CN=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610173	0	39	-1.0	-45.17	309.29	4.39	-40.78
O=C(C1=CN=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610173	1	39	-1.0	-45.18	309.34	4.42	-40.76
CC1(C)CCOC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610174	0	43	-1.0	-50.32	325.00	4.33	-45.99
CC1(C)CCOC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610174	1	43	-1.0	-50.27	325.06	4.36	-45.91
CC1=NC=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610175	0	37	-1.0	-42.24	303.79	3.64	-38.60
CC1=NC=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610175	1	37	-1.0	-42.26	303.85	3.67	-38.59
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC(C)=N1	REAL250004610176	0	37	-1.0	-39.88	302.91	3.85	-36.03
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC(C)=N1	REAL250004610176	1	37	-1.0	-39.88	302.97	3.88	-36.00
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CS(=O)(=O)C1	REAL250004610177	0	36	-1.0	-50.33	288.52	-0.03	-50.36
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CS(=O)(=O)C1	REAL250004610177	1	36	-1.0	-50.28	288.58	-0.01	-50.29
O=C(C1=CN=NN1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610178	0	36	-1.0	-43.23	293.16	2.36	-40.87
O=C(C1=CN=NN1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610178	1	36	-1.0	-43.24	293.10	2.34	-40.90
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NS1	REAL250004610179	0	32	-1.0	-42.40	276.78	2.83	-39.57
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NS1	REAL250004610179	1	32	-1.0	-42.35	276.83	2.85	-39.50
O=C(C=CC1=CN=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610180	0	35	-1.0	-40.68	295.74	2.55	-38.13
O=C(C=CC1=CN=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610180	1	35	-1.0	-40.71	295.80	2.58	-38.13
O=C(C1=CN=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610181	0	32	-1.0	-41.62	278.19	2.70	-38.92
O=C(C1=CN=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610181	1	32	-1.0	-41.62	278.13	2.67	-38.95
COC(=O)C(OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610182	0	36	-1.0	-49.32	297.13	2.87	-46.45
COC(=O)C(OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610182	1	36	-1.0	-49.25	297.19	2.90	-46.35
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610183	0	39	-1.0	-54.69	307.34	3.87	-50.82
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610183	1	39	-1.0	-54.67	307.40	3.89	-50.78
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610184	0	40	-1.0	-47.66	317.46	6.41	-41.25
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610184	1	40	-1.0	-47.71	317.52	6.44	-41.27
O=C(C1=CC=C2CCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610185	0	38	-1.0	-49.05	306.43	4.29	-44.76
O=C(C1=CC=C2CCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610185	1	38	-1.0	-49.07	306.49	4.31	-44.76
N#CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610186	0	34	-1.0	-54.10	293.44	3.41	-50.69
N#CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610186	1	34	-1.0	-54.13	293.38	3.38	-50.75
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610187	0	41	-1.0	-49.84	316.22	3.82	-46.02
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610187	1	41	-1.0	-49.88	316.28	3.84	-46.04
CCN1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610188	0	35	-1.0	-45.86	288.92	4.58	-41.28
CCN1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610188	1	35	-1.0	-45.88	288.86	4.55	-41.33
N#CCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610189	0	34	-1.0	-47.48	288.25	2.82	-44.66
N#CCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610189	1	34	-1.0	-47.48	288.20	2.79	-44.69
CC(C)CC(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610190	0	38	-1.0	-36.35	300.02	4.52	-31.83
CC(C)CC(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610190	1	38	-1.0	-36.39	300.07	4.54	-31.85
C=C(Cl)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610191	0	33	-1.0	-44.99	286.02	4.33	-40.66
C=C(Cl)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610191	1	33	-1.0	-44.96	286.08	4.35	-40.61
CC(CC1CCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610192	0	42	-1.0	-45.25	320.73	5.71	-39.54
CC(CC1CCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610192	1	42	-1.0	-45.23	320.79	5.74	-39.49
O=C(CCCC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610193	0	42	-1.0	-46.48	325.92	6.10	-40.38
O=C(CCCC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610193	1	42	-1.0	-46.51	325.98	6.12	-40.39
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL250004610194	0	38	-1.0	-44.35	301.73	3.27	-41.08
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL250004610194	1	38	-1.0	-44.39	301.79	3.30	-41.09
NC1=CC=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610195	0	35	-1.0	-47.84	293.96	2.54	-45.30
NC1=CC=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610195	1	35	-1.0	-47.86	294.02	2.57	-45.29
NC1=C(F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610196	0	35	-1.0	-44.46	288.22	2.56	-41.90
NC1=C(F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610196	1	35	-1.0	-44.50	288.28	2.58	-41.92
O=C(CC1=CC=C(O)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610197	0	36	-1.0	-54.49	299.19	0.97	-53.52
O=C(CC1=CC=C(O)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610197	1	36	-1.0	-54.45	299.25	1.00	-53.45
C=CN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610198	0	34	-1.0	-45.80	280.23	3.22	-42.58
C=CN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610198	1	34	-1.0	-45.88	280.29	3.25	-42.63
O=C(NC1=NC=CN1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610200	0	34	-1.0	-41.45	283.76	2.33	-39.12
O=C(NC1=NC=CN1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610200	1	34	-1.0	-41.40	283.71	2.30	-39.10
O=C(C(F)=CC1=CNC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610201	0	34	-1.0	-48.71	289.47	3.89	-44.82
O=C(C(F)=CC1=CNC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610201	1	34	-1.0	-48.75	289.53	3.92	-44.83
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL250004610202	0	35	-1.0	-52.87	287.14	3.19	-49.68
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL250004610202	1	35	-1.0	-52.85	287.19	3.21	-49.64
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004610203	0	37	-1.0	-46.23	297.49	4.05	-42.18
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004610203	1	37	-1.0	-46.27	297.55	4.08	-42.19
CN1NC(=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610204	0	34	-1.0	-43.68	281.22	0.27	-43.41
CN1NC(=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610204	1	34	-1.0	-43.69	281.28	0.30	-43.39
O=C(C1=CC=NC2=NNC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610205	0	35	-1.0	-48.74	290.98	2.42	-46.32
O=C(C1=CC=NC2=NNC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610205	1	35	-1.0	-48.71	291.03	2.44	-46.27
CN1C(=S)NN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610206	0	33	-1.0	-38.94	284.49	3.70	-35.24
CN1C(=S)NN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610206	1	33	-1.0	-38.96	284.55	3.73	-35.23
CCC1(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610207	0	40	-1.0	-46.49	310.16	5.38	-41.11
CCC1(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610207	1	40	-1.0	-46.47	310.22	5.40	-41.07
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610208	0	40	-1.0	-48.32	309.62	1.75	-46.57
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610208	1	40	-1.0	-48.35	309.68	1.78	-46.57
O=C(C[C@@H]1COC[C@H]1O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610209	0	38	-1.0	-51.98	299.78	-0.82	-52.80
O=C(C[C@@H]1COC[C@H]1O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610209	1	38	-1.0	-52.00	299.83	-0.79	-52.79
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610210	0	39	-1.0	-49.29	317.18	2.25	-47.04
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610210	1	39	-1.0	-49.28	317.23	2.27	-47.01
O=C(CC1CCC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610211	0	38	-1.0	-52.71	300.71	4.19	-48.52
O=C(CC1CCC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610211	1	38	-1.0	-52.76	300.77	4.22	-48.54
CC1(C)CC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610212	0	40	-1.0	-42.64	307.06	1.91	-40.73
CC1(C)CC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610212	1	40	-1.0	-42.64	307.12	1.94	-40.70
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004610213	0	39	-1.0	-47.37	313.39	5.39	-41.98
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004610213	1	39	-1.0	-47.41	313.45	5.42	-41.99
CCC(F)(F)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610214	0	35	-1.0	-53.01	286.49	4.14	-48.87
CCC(F)(F)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610214	1	35	-1.0	-52.95	286.55	4.17	-48.78
O=C(C1CCC2(C1)N=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610215	0	36	-1.0	-35.73	290.98	-0.94	-36.67
O=C(C1CCC2(C1)N=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610215	1	36	-1.0	-35.71	291.04	-0.91	-36.62
O=C(C1=CN=C2OC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610216	0	35	-1.0	-47.58	292.87	1.78	-45.80
O=C(C1=CN=C2OC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610216	1	35	-1.0	-47.59	292.81	1.75	-45.84
C=CCC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610217	0	42	-1.0	-45.08	317.01	5.44	-39.64
C=CCC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610217	1	42	-1.0	-45.11	317.07	5.47	-39.64
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)OC	REAL250004610218	0	39	-1.0	-47.24	303.39	3.70	-43.54
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)OC	REAL250004610218	1	39	-1.0	-47.29	303.44	3.73	-43.56
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL250004610219	0	45	-1.0	-45.80	334.43	6.32	-39.48
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004610219	1	45	-1.0	-45.83	334.49	6.35	-39.48
CC1=NC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610220	0	39	-1.0	-48.35	316.22	4.68	-43.67
CC1=NC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610220	1	39	-1.0	-48.37	316.28	4.71	-43.66
CC1=CN=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610221	0	39	-1.0	-38.23	316.37	4.69	-33.54
CC1=CN=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610221	1	39	-1.0	-38.24	316.42	4.72	-33.52
O=C(C1CC2CCC(C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610222	0	43	-1.0	-45.62	312.17	5.64	-39.98
O=C(C1CC2CCC(C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610222	1	43	-1.0	-45.56	312.23	5.66	-39.90
CC1(C)C(=O)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610223	0	38	-1.0	-53.80	299.46	3.64	-50.16
CC1(C)C(=O)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610223	1	38	-1.0	-53.81	299.52	3.66	-50.15
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610224	0	39	-1.0	-46.26	306.32	5.20	-41.06
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610224	1	39	-1.0	-46.26	306.38	5.23	-41.03
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=N1	REAL250004610225	0	38	-1.0	-38.10	307.21	1.53	-36.57
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=N1	REAL250004610225	1	38	-1.0	-38.11	307.27	1.55	-36.56
CC1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610226	0	38	-1.0	-47.94	310.52	3.88	-44.06
CC1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610226	1	38	-1.0	-47.90	310.58	3.91	-43.99
O=C(C1=CNC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610227	0	30	-1.0	-44.95	267.07	2.57	-42.38
O=C(C1=CNC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610227	1	30	-1.0	-44.92	267.13	2.60	-42.32
O=C(C1=C2C=CNC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610228	0	36	-1.0	-45.53	296.77	2.60	-42.93
O=C(C1=C2C=CNC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610228	1	36	-1.0	-45.53	296.83	2.63	-42.90
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL250004610229	0	38	-1.0	-44.23	295.06	2.62	-41.61
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL250004610229	1	38	-1.0	-44.23	295.11	2.65	-41.58
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(CO1)CCC2	REAL250004610230	0	41	-1.0	-44.43	301.89	3.70	-40.73
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(CO1)CCC2	REAL250004610230	1	41	-1.0	-44.44	301.95	3.72	-40.72
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C1)CO2	REAL250004610231	0	35	-1.0	-39.34	276.45	2.69	-36.65
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)CO2	REAL250004610231	1	35	-1.0	-39.32	276.51	2.72	-36.60
O=CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004610232	0	36	-1.0	-52.11	303.46	2.76	-49.35
O=CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004610232	1	36	-1.0	-52.18	303.52	2.79	-49.39
O=C(C1=CC=CN2C=NN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610233	0	35	-1.0	-61.25	296.37	5.98	-55.27
O=C(C1=CC=CN2C=NN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610233	1	35	-1.0	-61.21	296.31	5.96	-55.25
CCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004610234	0	40	-1.0	-46.16	318.91	4.82	-41.34
CCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004610234	1	40	-1.0	-46.15	318.97	4.84	-41.31
O=C([C@@H]1CC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610235	0	37	-1.0	-35.95	287.73	4.80	-31.15
O=C([C@@H]1CC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610235	1	37	-1.0	-35.94	287.78	4.82	-31.12
O=C(CC1CC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610236	0	35	-1.0	-51.53	285.21	3.62	-47.91
O=C(CC1CC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610236	1	35	-1.0	-51.52	285.27	3.64	-47.88
O=C(C1=CC=CC2=CN=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610237	0	35	-1.0	-59.03	295.55	3.00	-56.03
O=C(C1=CC=CC2=CN=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610237	1	35	-1.0	-59.05	295.50	2.97	-56.08
CN(C)C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610238	0	33	-1.0	-44.42	272.52	0.98	-43.44
CN(C)C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610238	1	33	-1.0	-44.41	272.58	1.01	-43.40
COC(=O)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610239	0	35	-1.0	-48.70	288.24	2.97	-45.73
COC(=O)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610239	1	35	-1.0	-48.70	288.29	3.00	-45.70
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004610240	0	41	-1.0	-49.96	313.26	5.46	-44.50
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004610240	1	41	-1.0	-49.94	313.31	5.49	-44.45
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610241	0	38	-1.0	-43.04	305.33	4.07	-38.97
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610241	1	38	-1.0	-43.03	305.38	4.10	-38.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NC=N2)CC1	REAL250004610242	0	36	-1.0	-42.27	299.82	4.97	-37.30
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NC=N2)CC1	REAL250004610242	1	36	-1.0	-42.29	299.77	4.95	-37.34
CC1=CC=CN=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610243	0	39	-1.0	-42.22	318.51	4.92	-37.30
CC1=CC=CN=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610243	1	39	-1.0	-42.22	318.56	4.95	-37.27
CCC1=CSC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610244	0	36	-1.0	-45.34	299.91	4.86	-40.48
CCC1=CSC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610244	1	36	-1.0	-45.33	299.96	4.89	-40.44
CC(C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610245	0	42	-1.0	-46.33	322.86	5.67	-40.66
CC(C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610245	1	42	-1.0	-46.32	322.91	5.69	-40.63
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NNC1=O	REAL250004610246	0	35	-1.0	-40.24	292.69	0.93	-39.31
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NNC1=O	REAL250004610246	1	35	-1.0	-40.27	292.75	0.95	-39.32
O=C(C1=C2C=CC=CN2N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610247	0	35	-1.0	-50.06	290.84	3.40	-46.66
O=C(C1=C2C=CC=CN2N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610247	1	35	-1.0	-50.07	290.78	3.37	-46.70
CC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL250004610248	0	34	-1.0	-50.48	283.28	2.96	-47.52
CC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL250004610248	1	34	-1.0	-50.50	283.34	2.98	-47.52
CN1C=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL250004610249	0	35	-1.0	-54.87	288.67	3.04	-51.83
CN1C=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL250004610249	1	35	-1.0	-54.89	288.61	3.01	-51.88
CC(C)(CC#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610250	0	36	-1.0	-43.62	281.56	3.32	-40.30
CC(C)(CC#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610250	1	36	-1.0	-43.63	281.62	3.35	-40.28
O=C(C=CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610251	0	37	-1.0	-38.27	303.51	5.93	-32.34
O=C(C=CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610251	1	37	-1.0	-38.28	303.56	5.95	-32.33
COC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C	REAL250004610252	0	39	-1.0	-42.97	313.50	4.08	-38.89
COC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C	REAL250004610252	1	39	-1.0	-43.00	313.55	4.10	-38.90
CC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004610253	0	35	-1.0	-42.63	288.35	-0.90	-43.53
CC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004610253	1	35	-1.0	-42.57	288.41	-0.87	-43.44
CC(C)(C)OC(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610254	0	41	-1.0	-53.34	321.55	5.39	-47.95
CC(C)(C)OC(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610254	1	41	-1.0	-53.37	321.60	5.42	-47.95
O=C(C1=CC2=CN=CN=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610255	0	35	-1.0	-43.61	290.39	4.00	-39.61
O=C(C1=CC2=CN=CN=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610255	1	35	-1.0	-43.60	290.45	4.02	-39.58
CC(C)(C)C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610256	0	43	-1.0	-43.74	336.76	4.98	-38.76
CC(C)(C)C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610256	1	43	-1.0	-43.81	336.82	5.01	-38.80
O=C(C1=CN=CC(F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610257	0	31	-1.0	-41.70	266.04	1.59	-40.11
O=C(C1=CN=CC(F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610257	1	31	-1.0	-41.69	265.98	1.57	-40.12
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004610258	0	39	-1.0	-51.94	303.38	4.19	-47.75
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004610258	1	39	-1.0	-51.94	303.44	4.22	-47.72
CC1=NC(C#N)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610259	0	36	-1.0	-45.71	304.80	3.51	-42.20
CC1=NC(C#N)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610259	1	36	-1.0	-45.69	304.85	3.54	-42.15
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCCCCC1	REAL250004610260	0	43	-1.0	-45.32	306.01	3.25	-42.07
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCCCCC1	REAL250004610260	1	43	-1.0	-45.28	306.07	3.27	-42.01
O=C(C1=CC(C2CC2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610261	0	39	-1.0	-40.70	313.86	5.63	-35.07
O=C(C1=CC(C2CC2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610261	1	39	-1.0	-40.71	313.92	5.65	-35.06
O=C(C1=CC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610262	0	38	-1.0	-47.86	304.79	6.23	-41.63
O=C(C1=CC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610262	1	38	-1.0	-47.84	304.85	6.25	-41.59
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)OC2	REAL250004610263	0	38	-1.0	-39.05	297.98	3.22	-35.83
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)OC2	REAL250004610263	1	38	-1.0	-39.04	298.04	3.25	-35.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CC2)CCCO1	REAL250004610264	0	41	-1.0	-43.69	303.86	3.70	-39.99
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CC2)CCCO1	REAL250004610264	1	41	-1.0	-43.75	303.92	3.73	-40.02
CC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610265	0	35	-1.0	-41.42	285.88	4.16	-37.26
CC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610265	1	35	-1.0	-41.41	285.93	4.19	-37.22
CC1(F)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610266	0	36	-1.0	-48.63	287.16	4.32	-44.31
CC1(F)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610266	1	36	-1.0	-48.65	287.22	4.35	-44.30
CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610267	0	33	-1.0	-48.20	279.21	3.84	-44.36
CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610267	1	33	-1.0	-48.22	279.27	3.86	-44.36
C=CCC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610268	0	45	-1.0	-47.08	339.78	5.96	-41.12
C=CCC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610268	1	45	-1.0	-47.08	339.84	5.98	-41.10
CC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004610269	0	37	-1.0	-50.31	288.03	3.62	-46.69
CC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004610269	1	37	-1.0	-50.33	288.08	3.65	-46.68
O=C(C1=CN=C2N=CC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610270	0	35	-1.0	-49.94	288.72	5.31	-44.63
O=C(C1=CN=C2N=CC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610270	1	35	-1.0	-49.94	288.67	5.28	-44.66
CC1OC2(C)CC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL250004610271	0	41	-1.0	-43.99	313.03	3.22	-40.77
CC1OC2(C)CC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL250004610271	1	41	-1.0	-43.97	313.08	3.24	-40.73
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12COC(C=CC1)C2	REAL250004610272	0	39	-1.0	-37.29	293.29	2.97	-34.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12COC(C=CC1)C2	REAL250004610272	1	39	-1.0	-37.29	293.34	2.99	-34.30
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C[C@H](C)O1	REAL250004610273	0	43	-1.0	-46.98	328.72	4.01	-42.97
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL250004610273	1	43	-1.0	-46.99	328.78	4.03	-42.96
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12COC(C1)CCC2	REAL250004610274	0	41	-1.0	-37.57	297.74	3.01	-34.56
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12COC(C1)CCC2	REAL250004610274	1	41	-1.0	-37.61	297.79	3.04	-34.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CO1)C2	REAL250004610275	0	38	-1.0	-39.41	290.49	3.21	-36.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CO1)C2	REAL250004610275	1	38	-1.0	-39.38	290.55	3.23	-36.15
CC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CO1)C2	REAL250004610276	0	41	-1.0	-44.68	308.70	3.18	-41.50
CC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CO1)C2	REAL250004610276	1	41	-1.0	-44.67	308.76	3.20	-41.47
O=C(C1CC2(CC2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610277	0	37	-1.0	-48.35	299.71	5.14	-43.21
O=C(C1CC2(CC2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610277	1	37	-1.0	-48.31	299.77	5.17	-43.14
CC1(C)CC1(C#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610278	0	37	-1.0	-38.52	300.21	4.33	-34.19
CC1(C)CC1(C#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610278	1	37	-1.0	-38.55	300.27	4.35	-34.20
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2C=CC1C2	REAL250004610279	0	39	-1.0	-43.16	303.96	4.81	-38.35
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2C=CC1C2	REAL250004610279	1	39	-1.0	-43.17	304.01	4.84	-38.33
CC1=CC=CC([C@@H](C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610281	0	42	-1.0	-46.60	332.21	6.51	-40.09
CC1=CC=CC([C@@H](C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610281	1	42	-1.0	-46.60	332.27	6.53	-40.07
O=C(C[C@@H]1CC=CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610282	0	40	-1.0	-46.76	306.64	5.65	-41.11
O=C(C[C@@H]1CC=CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610282	1	40	-1.0	-46.79	306.70	5.67	-41.12
CCC1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610283	0	37	-1.0	-47.67	297.46	4.20	-43.47
CCC1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610283	1	37	-1.0	-47.66	297.52	4.23	-43.43
COCCOCC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610284	0	41	-1.0	-51.10	335.96	2.31	-48.79
COCCOCC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610284	1	41	-1.0	-51.11	336.01	2.33	-48.78
O=C(C=CC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610285	0	38	-1.0	-48.08	303.77	3.30	-44.78
O=C(C=CC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610285	1	38	-1.0	-48.07	303.82	3.33	-44.74
CC1=CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004610286	0	40	-1.0	-36.06	307.32	5.36	-30.70
CC1=CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004610286	1	40	-1.0	-36.06	307.38	5.38	-30.68
CC[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL250004610287	0	44	-1.0	-45.60	323.02	5.48	-40.12
CC[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL250004610287	1	44	-1.0	-45.57	323.07	5.51	-40.06
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL250004610288	0	36	-1.0	-47.06	304.09	5.14	-41.92
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL250004610288	1	36	-1.0	-47.03	304.15	5.17	-41.86
O=C(CC12CC(C1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610289	0	37	-1.0	-47.44	288.47	5.17	-42.27
O=C(CC12CC(C1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610289	1	37	-1.0	-47.39	288.53	5.20	-42.19
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NC=N1	REAL250004610290	0	38	-1.0	-42.09	308.52	5.03	-37.06
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NC=N1	REAL250004610290	1	38	-1.0	-42.03	308.46	5.00	-37.03
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC1	REAL250004610291	0	39	-1.0	-52.56	304.92	2.93	-49.63
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC1	REAL250004610291	1	39	-1.0	-52.55	304.97	2.96	-49.59
CCC=CC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610292	0	37	-1.0	-37.35	303.42	5.23	-32.12
CCC=CC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610292	1	37	-1.0	-37.31	303.47	5.25	-32.06
O=C(C1=CN2N=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610293	0	36	-1.0	-39.96	298.51	4.27	-35.69
O=C(C1=CN2N=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610293	1	36	-1.0	-39.94	298.45	4.24	-35.70
CCN1C(=O)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610294	0	40	-1.0	-53.79	314.82	3.57	-50.22
CCN1C(=O)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610294	1	40	-1.0	-53.80	314.88	3.60	-50.20
O=C(CC1CC=CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610295	0	37	-1.0	-46.94	290.46	5.01	-41.93
O=C(CC1CC=CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610295	1	37	-1.0	-46.91	290.52	5.03	-41.88
O=C(C1=CC=NC2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610296	0	39	-1.0	-39.39	310.09	4.53	-34.86
O=C(C1=CC=NC2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610296	1	39	-1.0	-39.37	310.14	4.55	-34.82
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL250004610297	0	34	-1.0	-47.76	277.31	2.98	-44.78
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL250004610297	1	34	-1.0	-47.77	277.37	3.01	-44.76
O=C(C1CCOC(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610298	0	39	-1.0	-53.71	300.30	3.81	-49.90
O=C(C1CCOC(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610298	1	39	-1.0	-53.71	300.36	3.83	-49.88
O=C(CCCCCF)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610299	0	38	-1.0	-48.69	305.74	4.92	-43.77
O=C(CCCCCF)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610299	1	38	-1.0	-48.70	305.79	4.95	-43.75
CCN1N=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL250004610300	0	38	-1.0	-47.25	306.23	2.69	-44.56
CCN1N=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL250004610300	1	38	-1.0	-47.19	306.29	2.72	-44.47
O=C(C1CC(=O)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610301	0	33	-1.0	-48.98	270.14	1.91	-47.07
O=C(C1CC(=O)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610301	1	33	-1.0	-49.01	270.19	1.93	-47.08
CC1=NN=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610302	0	34	-1.0	-57.07	284.65	1.79	-55.28
CC1=NN=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610302	1	34	-1.0	-57.06	284.71	1.82	-55.24
O=C(CC1CC(C(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610303	0	39	-1.0	-49.50	312.31	5.31	-44.19
O=C(CC1CC(C(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610303	1	39	-1.0	-49.48	312.37	5.33	-44.15
CN1N=NC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610304	0	35	-1.0	-54.97	289.05	1.76	-53.21
CN1N=NC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610304	1	35	-1.0	-54.94	289.11	1.78	-53.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004610305	0	34	-1.0	-49.79	277.89	4.37	-45.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004610305	1	34	-1.0	-49.79	277.94	4.40	-45.39
O=C(C1=NC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610306	0	31	-1.0	-39.52	268.40	2.39	-37.13
O=C(C1=NC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610306	1	31	-1.0	-39.51	268.34	2.37	-37.14
CC1(C)COCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610307	0	43	-1.0	-47.14	309.04	3.19	-43.95
CC1(C)COCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610307	1	43	-1.0	-47.16	309.10	3.22	-43.94
O=C(C1=CC=CC2=NN=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610308	0	35	-1.0	-49.69	294.81	5.58	-44.11
O=C(C1=CC=CC2=NN=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610308	1	35	-1.0	-49.69	294.75	5.56	-44.13
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL250004610309	0	34	-1.0	-53.69	287.00	1.45	-52.24
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL250004610309	1	34	-1.0	-53.71	287.06	1.47	-52.24
O=C(C1=CC=C2C=COC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610310	0	36	-1.0	-40.34	297.82	4.76	-35.58
O=C(C1=CC=C2C=COC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610310	1	36	-1.0	-40.39	297.87	4.79	-35.60
C#CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610311	0	35	-1.0	-45.57	297.21	5.61	-39.96
C#CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610311	1	35	-1.0	-45.54	297.27	5.63	-39.91
CCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL250004610312	0	39	-1.0	-43.75	313.94	4.18	-39.57
CCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL250004610312	1	39	-1.0	-43.76	314.00	4.20	-39.56
CCCN1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610313	0	40	-1.0	-46.30	316.41	5.53	-40.77
CCCN1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610313	1	40	-1.0	-46.30	316.47	5.56	-40.74
O=C(CC1CC2CC2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610314	0	40	-1.0	-46.87	308.51	5.85	-41.02
O=C(CC1CC2CC2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610314	1	40	-1.0	-46.86	308.57	5.88	-40.98
O=C(C1=CCCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610315	0	35	-1.0	-44.43	281.34	2.38	-42.05
O=C(C1=CCCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610315	1	35	-1.0	-44.44	281.40	2.41	-42.03
CCC1=NON=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610316	0	34	-1.0	-38.22	281.94	3.02	-35.20
CCC1=NON=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610316	1	34	-1.0	-38.24	281.99	3.05	-35.19
O=C(C1=CN2N=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610317	0	35	-1.0	-46.78	296.39	3.08	-43.70
O=C(C1=CN2N=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610317	1	35	-1.0	-46.79	296.34	3.05	-43.74
O=C(C1=CN(CCO)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610318	0	36	-1.0	-46.25	300.86	-1.15	-47.40
O=C(C1=CN(CCO)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610318	1	36	-1.0	-46.26	300.80	-1.17	-47.43
O=C(CC1CC2(CCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610319	0	43	-1.0	-47.00	331.34	6.38	-40.62
O=C(CC1CC2(CCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610319	1	43	-1.0	-46.99	331.40	6.41	-40.58
O=C(C1=NOC(CF)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610320	0	32	-1.0	-44.24	274.24	3.25	-40.99
O=C(C1=NOC(CF)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610320	1	32	-1.0	-44.26	274.30	3.28	-40.98
O=C(C1=CC=CC2=NON=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610321	0	34	-1.0	-54.55	288.38	3.35	-51.20
O=C(C1=CC=CC2=NON=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610321	1	34	-1.0	-54.57	288.32	3.32	-51.25
CN1C=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL250004610322	0	37	-1.0	-52.05	308.44	3.16	-48.89
CN1C=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL250004610322	1	37	-1.0	-52.00	308.39	3.13	-48.87
C=CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL250004610323	0	37	-1.0	-46.40	282.00	4.76	-41.64
C=CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004610323	1	37	-1.0	-46.39	282.06	4.79	-41.60
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(C1)OC2	REAL250004610324	0	38	-1.0	-45.01	287.35	2.58	-42.43
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(C1)OC2	REAL250004610324	1	38	-1.0	-44.96	287.41	2.61	-42.35
CCC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610325	0	35	-1.0	-40.61	289.37	3.38	-37.23
CCC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610325	1	35	-1.0	-40.57	289.42	3.40	-37.17
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610326	0	45	-1.0	-46.59	332.45	5.90	-40.69
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610326	1	45	-1.0	-46.55	332.51	5.93	-40.62
C[C@@H]1C[C@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H]12	REAL250004610327	0	37	-1.0	-46.24	290.98	4.88	-41.36
C[C@@H]1C[C@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H]12	REAL250004610327	1	37	-1.0	-46.23	291.04	4.91	-41.32
O=C(C=CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610328	0	36	-1.0	-47.53	298.55	4.19	-43.34
O=C(C=CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610328	1	36	-1.0	-47.50	298.61	4.22	-43.28
O=C(C1CC2=CC=CN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610329	0	39	-1.0	-46.81	308.51	4.55	-42.26
O=C(C1CC2=CC=CN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610329	1	39	-1.0	-46.78	308.57	4.58	-42.20
O=C(C1CC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610330	0	38	-1.0	-53.84	307.97	4.57	-49.27
O=C(C1CC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610330	1	38	-1.0	-53.83	308.03	4.59	-49.24
O=C(C1COC(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610331	0	31	-1.0	-56.24	261.06	2.79	-53.45
O=C(C1COC(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610331	1	31	-1.0	-56.30	261.12	2.81	-53.49
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL250004610332	0	40	-1.0	-46.87	307.90	2.89	-43.98
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL250004610332	1	40	-1.0	-46.91	307.96	2.91	-44.00
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610333	0	37	-1.0	-46.99	283.16	4.84	-42.15
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610333	1	37	-1.0	-46.95	283.22	4.87	-42.08
O=C(C1COC2COCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610334	0	39	-1.0	-50.02	292.85	1.02	-49.00
O=C(C1COC2COCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610334	1	39	-1.0	-50.05	292.91	1.05	-49.00
CC1CCOC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610335	0	40	-1.0	-50.34	305.21	3.84	-46.50
CC1CCOC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610335	1	40	-1.0	-50.35	305.26	3.87	-46.48
C=C1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL250004610336	0	41	-1.0	-45.73	323.39	6.10	-39.63
C=C1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL250004610336	1	41	-1.0	-45.72	323.44	6.12	-39.60
O=C(C1CCC2C1C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610337	0	37	-1.0	-52.65	292.03	4.87	-47.78
O=C(C1CCC2C1C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610337	1	37	-1.0	-52.63	292.08	4.90	-47.73
O=C(CC12CCC(CC1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610338	0	43	-1.0	-46.83	318.16	6.03	-40.80
O=C(CC12CCC(CC1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610338	1	43	-1.0	-46.81	318.22	6.05	-40.76
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004610339	0	34	-1.0	-46.85	275.92	3.30	-43.55
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004610339	1	34	-1.0	-46.82	275.97	3.33	-43.49
CCCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610340	0	42	-1.0	-48.93	333.18	4.06	-44.87
CCCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610340	1	42	-1.0	-48.93	333.24	4.08	-44.85
O=C(C1=CN2C=NN=C2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610341	0	34	-1.0	-42.75	287.16	4.69	-38.06
O=C(C1=CN2C=NN=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610341	1	34	-1.0	-42.77	287.10	4.66	-38.11
CN1N=CC(C#N)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610342	0	34	-1.0	-46.65	297.89	2.56	-44.09
CN1N=CC(C#N)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610342	1	34	-1.0	-46.62	297.83	2.53	-44.09
CC(C)C(C)C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610343	0	47	-1.0	-45.69	340.15	5.97	-39.72
CC(C)C(C)C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610343	1	47	-1.0	-45.69	340.21	5.99	-39.70
CO[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004610344	0	38	-1.0	-50.32	304.77	3.26	-47.06
CO[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004610344	1	38	-1.0	-50.29	304.82	3.29	-47.00
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL250004610345	0	43	-1.0	-37.20	320.16	3.61	-33.59
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL250004610345	1	43	-1.0	-37.20	320.22	3.64	-33.56
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCC1C2(F)F	REAL250004610346	0	37	-1.0	-43.09	299.32	4.90	-38.19
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCC1C2(F)F	REAL250004610346	1	37	-1.0	-43.09	299.37	4.92	-38.17
O=C(C1=C(C2CC2)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610347	0	37	-1.0	-39.71	298.92	4.79	-34.92
O=C(C1=C(C2CC2)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610347	1	37	-1.0	-39.68	298.98	4.82	-34.86
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL250004610348	0	40	-1.0	-50.22	306.11	4.24	-45.98
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL250004610348	1	40	-1.0	-50.18	306.17	4.27	-45.91
O=C(C1=NC2=CC=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610349	0	36	-1.0	-59.31	296.93	3.40	-55.91
O=C(C1=NC2=CC=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610349	1	36	-1.0	-59.24	296.99	3.43	-55.81
O=C(C1C2C3CC1C(=O)C32)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610350	0	37	-1.0	-43.70	291.54	4.24	-39.46
O=C(C1C2C3CC1C(=O)C32)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610350	1	37	-1.0	-43.70	291.60	4.26	-39.44
O=C(C1=CC=CN2N=NC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610351	0	35	-1.0	-51.23	296.78	3.14	-48.09
O=C(C1=CC=CN2N=NC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610351	1	35	-1.0	-51.24	296.72	3.12	-48.12
COCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL250004610352	0	38	-1.0	-46.98	308.46	2.44	-44.54
COCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL250004610352	1	38	-1.0	-47.02	308.52	2.46	-44.56
O=C(CC1CC2(CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610353	0	40	-1.0	-47.08	314.86	5.92	-41.16
O=C(CC1CC2(CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610353	1	40	-1.0	-47.09	314.92	5.95	-41.14
CC1=NN(C)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610354	0	39	-1.0	-52.28	316.86	3.53	-48.75
CC1=NN(C)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610354	1	39	-1.0	-52.31	316.92	3.56	-48.75
CCC(C)CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610355	0	44	-1.0	-46.36	327.97	5.55	-40.81
CCC(C)CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610355	1	44	-1.0	-46.37	328.03	5.58	-40.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(F)(CC1)C2	REAL250004610356	0	40	-1.0	-34.99	302.18	5.01	-29.98
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(F)(CC1)C2	REAL250004610356	1	40	-1.0	-35.01	302.24	5.04	-29.97
CC1(C)CC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610357	0	43	-1.0	-46.36	332.62	6.23	-40.13
CC1(C)CC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610357	1	43	-1.0	-46.37	332.68	6.25	-40.12
O=C(C1CCCC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610358	0	43	-1.0	-46.45	315.18	6.33	-40.12
O=C(C1CCCC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610358	1	43	-1.0	-46.42	315.24	6.36	-40.06
C=C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C(F)F)C1	REAL250004610359	0	37	-1.0	-35.21	299.28	4.57	-30.64
C=C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C(F)F)C1	REAL250004610359	1	37	-1.0	-35.21	299.34	4.60	-30.61
O=C([C@H]1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610360	0	30	-1.0	-45.89	257.48	3.36	-42.53
O=C([C@H]1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610360	1	30	-1.0	-45.83	257.53	3.38	-42.45
CC12CC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL250004610361	0	41	-1.0	-50.49	317.37	3.67	-46.82
CC12CC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL250004610361	1	41	-1.0	-50.51	317.43	3.70	-46.81
C[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004610362	0	37	-1.0	-46.84	292.28	4.92	-41.92
C[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004610362	1	37	-1.0	-46.86	292.33	4.95	-41.91
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL250004610363	0	36	-1.0	-43.51	305.65	3.55	-39.96
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL250004610363	1	36	-1.0	-43.46	305.71	3.57	-39.89
O=C([C@@H]1CCC(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610364	0	33	-1.0	-58.63	270.02	3.58	-55.05
O=C([C@@H]1CCC(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610364	1	33	-1.0	-58.64	270.08	3.60	-55.04
O=C(C(F)C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610365	0	36	-1.0	-36.15	283.70	4.46	-31.69
O=C(C(F)C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610365	1	36	-1.0	-36.20	283.76	4.48	-31.72
O=C(C(F)C1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610366	0	37	-1.0	-46.71	291.45	2.52	-44.19
O=C(C(F)C1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610366	1	37	-1.0	-46.72	291.51	2.54	-44.18
CCC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL250004610367	0	43	-1.0	-50.38	325.40	4.86	-45.52
CCC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004610367	1	43	-1.0	-50.34	325.46	4.89	-45.45
O=C(C1CC2(CCC2)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610368	0	41	-1.0	-49.71	314.30	4.64	-45.07
O=C(C1CC2(CCC2)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610368	1	41	-1.0	-49.75	314.36	4.66	-45.09
O=C(C1CC2(CC(F)C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610369	0	40	-1.0	-46.45	316.05	5.65	-40.80
O=C(C1CC2(CC(F)C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610369	1	40	-1.0	-46.45	316.11	5.67	-40.78
O=C(C1=CC2=CN=NN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610370	0	35	-1.0	-46.27	295.75	3.21	-43.06
O=C(C1=CC2=CN=NN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610370	1	35	-1.0	-46.29	295.69	3.18	-43.11
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C1)OC2	REAL250004610371	0	35	-1.0	-44.84	272.14	1.96	-42.88
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)OC2	REAL250004610371	1	35	-1.0	-44.86	272.20	1.98	-42.88
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610372	0	34	-1.0	-41.93	293.12	0.29	-41.64
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610372	1	34	-1.0	-41.95	293.17	0.32	-41.63
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610373	0	35	-1.0	-45.90	290.39	0.29	-45.61
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610373	1	35	-1.0	-45.87	290.45	0.31	-45.56
[N-]=[N+]=NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610374	0	38	-1.0	-44.80	307.04	0.96	-43.84
[N-]=[N+]=NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610374	1	38	-1.0	-44.81	307.10	0.98	-43.83
COC1=CN=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610375	0	35	-1.0	-44.81	289.66	1.35	-43.46
COC1=CN=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610375	1	35	-1.0	-44.80	289.61	1.33	-43.47
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610376	0	36	-1.0	-44.46	297.96	4.76	-39.70
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610376	1	36	-1.0	-44.49	298.02	4.79	-39.70
CC1CC(=O)NCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610377	0	40	-1.0	-47.41	309.62	1.42	-45.99
CC1CC(=O)NCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610377	1	40	-1.0	-47.36	309.68	1.44	-45.92
CC1(C)C(C)(C)C1(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610378	0	42	-1.0	-42.93	312.20	4.92	-38.01
CC1(C)C(C)(C)C1(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610378	1	42	-1.0	-42.91	312.26	4.94	-37.97
COC1(C#N)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610379	0	38	-1.0	-48.82	311.34	2.75	-46.07
COC1(C#N)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610379	1	38	-1.0	-48.84	311.40	2.78	-46.06
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610380	0	37	-1.0	-50.04	280.71	2.12	-47.92
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610380	1	37	-1.0	-50.02	280.77	2.15	-47.87
CC1(C)CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL250004610381	0	43	-1.0	-48.97	329.85	3.95	-45.02
CC1(C)CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL250004610381	1	43	-1.0	-48.93	329.91	3.98	-44.95
O=C(C1CCCCC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610382	0	41	-1.0	-44.76	311.12	4.39	-40.37
O=C(C1CCCCC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610382	1	41	-1.0	-44.71	311.18	4.41	-40.30
O=C(C1CCC2(CCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610383	0	41	-1.0	-51.16	315.03	4.88	-46.28
O=C(C1CCC2(CCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610383	1	41	-1.0	-51.13	315.09	4.91	-46.22
O=C(C1=CC=CC2=C1COC2)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610384	0	38	-1.0	-48.30	304.20	3.69	-44.61
O=C(C1=CC=CC2=C1COC2)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610384	1	38	-1.0	-48.33	304.26	3.71	-44.62
CC1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004610385	0	45	-1.0	-44.74	322.03	5.70	-39.04
CC1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004610385	1	45	-1.0	-44.76	322.09	5.72	-39.04
O=C([C@@H]1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610386	0	30	-1.0	-45.91	257.48	3.35	-42.56
O=C([C@@H]1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610386	1	30	-1.0	-45.90	257.54	3.37	-42.53
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610387	0	33	-1.0	-52.02	267.77	4.11	-47.91
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610387	1	33	-1.0	-52.04	267.85	4.14	-47.90
O=C(C1=NC2=NC=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610388	0	35	-1.0	-53.87	291.03	6.45	-47.42
O=C(C1=NC2=NC=CN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610388	1	35	-1.0	-53.92	290.97	6.42	-47.50
CC1=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL250004610389	0	33	-1.0	-41.40	286.64	2.55	-38.85
CC1=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL250004610389	1	33	-1.0	-41.39	286.70	2.58	-38.81
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(=O)C1	REAL250004610390	0	33	-1.0	-42.95	279.39	2.55	-40.40
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(=O)C1	REAL250004610390	1	33	-1.0	-42.98	279.45	2.58	-40.40
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)CCO2	REAL250004610391	0	41	-1.0	-37.50	307.82	3.20	-34.30
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)CCO2	REAL250004610391	1	41	-1.0	-37.53	307.87	3.22	-34.31
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL250004610392	0	36	-1.0	-48.98	301.50	0.91	-48.07
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL250004610392	1	36	-1.0	-48.94	301.55	0.92	-48.02
CC(C)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610393	0	40	-1.0	-53.53	318.29	4.41	-49.12
CC(C)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610393	1	40	-1.0	-53.53	318.35	4.43	-49.10
CC(C)(C#N)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610394	0	39	-1.0	-53.31	310.70	4.56	-48.75
CC(C)(C#N)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610394	1	39	-1.0	-53.29	310.76	4.58	-48.71
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610395	0	35	-1.0	-42.90	297.56	2.12	-40.78
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610395	1	35	-1.0	-42.93	297.62	2.15	-40.78
[N-]=[N+]=NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610396	0	31	-1.0	-43.79	264.82	-0.92	-44.71
[N-]=[N+]=NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610396	1	31	-1.0	-43.81	264.88	-0.89	-44.70
[N-]=[N+]=NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610397	0	34	-1.0	-49.25	286.29	-0.13	-49.38
[N-]=[N+]=NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610397	1	34	-1.0	-49.27	286.35	-0.10	-49.37
CCOCC(N=[N+]=[N-])C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610398	0	38	-1.0	-44.95	316.86	-1.06	-46.01
CCOCC(N=[N+]=[N-])C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610398	1	38	-1.0	-44.98	316.92	-1.03	-46.01
O=C(C1CC(C2CCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610399	0	43	-1.0	-46.51	329.76	6.38	-40.13
O=C(C1CC(C2CCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610399	1	43	-1.0	-46.48	329.82	6.40	-40.08
CNC(=O)NC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610400	0	38	-1.0	-45.05	306.64	-0.59	-45.64
CNC(=O)NC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610400	1	38	-1.0	-45.01	306.70	-0.56	-45.57
CNC(=O)N[C@@H](C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610401	0	38	-1.0	-45.17	306.29	-0.60	-45.77
CNC(=O)N[C@@H](C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610401	1	38	-1.0	-45.22	306.35	-0.57	-45.79
CNC(=O)N[C@H](C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610402	0	38	-1.0	-45.14	306.31	-0.62	-45.76
CNC(=O)N[C@H](C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610402	1	38	-1.0	-45.15	306.37	-0.59	-45.74
CC(C)[C@@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610403	0	41	-1.0	-44.17	311.62	-0.62	-44.79
CC(C)[C@@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610403	1	41	-1.0	-44.20	311.68	-0.59	-44.79
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CCCC1	REAL250004610404	0	40	-1.0	-45.15	296.40	4.79	-40.36
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CCCC1	REAL250004610404	1	40	-1.0	-45.14	296.46	4.82	-40.32
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS1	REAL250004610405	0	40	-1.0	-45.68	316.60	5.25	-40.43
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS1	REAL250004610405	1	40	-1.0	-45.66	316.66	5.27	-40.39
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCC2)CC1	REAL250004610406	0	40	-1.0	-36.37	300.60	5.04	-31.33
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCC2)CC1	REAL250004610406	1	40	-1.0	-36.39	300.65	5.07	-31.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CC1	REAL250004610407	0	39	-1.0	-47.35	314.13	4.57	-42.78
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CC1	REAL250004610407	1	39	-1.0	-47.41	314.07	4.54	-42.87
CC(C)(F)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610408	0	38	-1.0	-45.36	300.22	4.57	-40.79
CC(C)(F)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610408	1	38	-1.0	-45.41	300.28	4.59	-40.82
COC1CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610409	0	43	-1.0	-48.85	337.85	4.25	-44.60
COC1CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610409	1	43	-1.0	-48.84	337.90	4.28	-44.56
CCCCC[C@@H](O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610410	0	45	-1.0	-50.17	351.36	3.94	-46.23
CCCCC[C@@H](O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610410	1	45	-1.0	-50.21	351.41	3.96	-46.25
CCC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL250004610411	0	38	-1.0	-42.69	307.24	4.54	-38.15
CCC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL250004610411	1	38	-1.0	-42.64	307.29	4.56	-38.08
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CC2(CCC2)C1	REAL250004610412	0	40	-1.0	-41.94	314.11	5.56	-36.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CC2(CCC2)C1	REAL250004610412	1	40	-1.0	-41.97	314.17	5.58	-36.39
O=C(C1CCCCNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610413	0	40	-1.0	-39.77	292.77	1.41	-38.36
O=C(C1CCCCNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610413	1	40	-1.0	-39.79	292.82	1.43	-38.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12COC[C@H]1C2(F)F	REAL250004610414	0	35	-1.0	-39.30	290.60	2.33	-36.97
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12COC[C@H]1C2(F)F	REAL250004610414	1	35	-1.0	-39.35	290.65	2.36	-36.99
O=C(CN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610415	0	32	-1.0	-56.87	269.76	4.29	-52.58
O=C(CN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610415	1	32	-1.0	-56.87	269.71	4.27	-52.60
COCC(C)(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610416	0	40	-1.0	-46.60	311.68	1.37	-45.23
COCC(C)(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610416	1	40	-1.0	-46.60	311.74	1.39	-45.21
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL250004610417	0	36	-1.0	-37.35	299.17	4.91	-32.44
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL250004610417	1	36	-1.0	-37.37	299.23	4.93	-32.44
CCC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610419	0	37	-1.0	-54.34	297.74	3.84	-50.50
CCC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610419	1	37	-1.0	-54.35	297.80	3.87	-50.48
O=C(C(F)C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610420	0	40	-1.0	-36.76	308.03	3.29	-33.47
O=C(C(F)C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610420	1	40	-1.0	-36.76	308.08	3.32	-33.44
CCC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004610421	0	38	-1.0	-40.97	307.72	4.89	-36.08
CCC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004610421	1	38	-1.0	-40.97	307.77	4.91	-36.06
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SN=C1	REAL250004610422	0	32	-1.0	-38.50	274.93	2.79	-35.71
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SN=C1	REAL250004610422	1	32	-1.0	-38.50	274.88	2.76	-35.74
CC(C)(CCC#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610423	0	39	-1.0	-54.19	299.85	4.11	-50.08
CC(C)(CCC#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610423	1	39	-1.0	-54.17	299.91	4.14	-50.03
CC(C)(F)C(C)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610424	0	38	-1.0	-44.61	292.34	4.03	-40.58
CC(C)(F)C(C)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610424	1	38	-1.0	-44.62	292.40	4.05	-40.57
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CC2C1	REAL250004610425	0	38	-1.0	-41.84	301.20	4.66	-37.18
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CC2C1	REAL250004610425	1	38	-1.0	-41.84	301.25	4.68	-37.16
O=C([C@H]1CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610426	0	31	-1.0	-52.51	258.90	-0.94	-53.45
O=C([C@H]1CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610426	1	31	-1.0	-52.52	258.96	-0.92	-53.44
CC1(C)NC(=O)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610427	0	40	-1.0	-47.86	304.09	0.99	-46.87
CC1(C)NC(=O)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610427	1	40	-1.0	-47.84	304.15	1.01	-46.83
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610428	0	38	-1.0	-51.61	296.37	1.18	-50.43
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610428	1	38	-1.0	-51.63	296.43	1.21	-50.42
CC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)O1	REAL250004610429	0	43	-1.0	-47.04	331.26	4.04	-43.00
CC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)O1	REAL250004610429	1	43	-1.0	-47.05	331.32	4.06	-42.99
O=C(C1=COC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610430	0	30	-1.0	-42.86	268.57	3.11	-39.75
O=C(C1=COC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610430	1	30	-1.0	-42.84	268.63	3.14	-39.70
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(F)=C1	REAL250004610431	0	33	-1.0	-36.87	285.45	4.24	-32.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(F)=C1	REAL250004610431	1	33	-1.0	-36.87	285.51	4.27	-32.60
CC1(C)[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C(F)F	REAL250004610432	0	39	-1.0	-45.36	306.93	5.10	-40.26
CC1(C)[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C(F)F	REAL250004610432	1	39	-1.0	-45.38	306.99	5.13	-40.25
O=C(C1C2C3CC1CC32)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610433	0	38	-1.0	-36.25	292.04	5.39	-30.86
O=C(C1C2C3CC1CC32)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610433	1	38	-1.0	-36.27	292.09	5.41	-30.86
CC(C)CCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610434	0	45	-1.0	-49.15	351.33	5.69	-43.46
CC(C)CCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610434	1	45	-1.0	-49.15	351.38	5.71	-43.44
O=C(C=CC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610435	0	37	-1.0	-46.02	295.56	5.15	-40.87
O=C(C=CC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610435	1	37	-1.0	-46.02	295.62	5.17	-40.85
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1C	REAL250004610436	0	37	-1.0	-48.66	297.18	4.59	-44.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1C	REAL250004610436	1	37	-1.0	-48.62	297.24	4.62	-44.00
O=C(CC1=CN=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610437	0	31	-1.0	-50.88	273.43	2.10	-48.78
O=C(CC1=CN=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610437	1	31	-1.0	-50.87	273.49	2.12	-48.75
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610439	0	40	-1.0	-46.97	322.03	6.76	-40.21
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610439	1	40	-1.0	-46.94	322.09	6.78	-40.16
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004610440	0	43	-1.0	-53.03	342.10	3.81	-49.22
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004610440	1	43	-1.0	-53.10	342.16	3.82	-49.28
CCOCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610441	0	42	-1.0	-46.88	346.42	3.24	-43.64
CCOCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610441	1	42	-1.0	-46.85	346.48	3.26	-43.59
CC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610442	0	39	-1.0	-51.37	302.79	1.73	-49.64
CC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610442	1	39	-1.0	-51.40	302.84	1.75	-49.65
O=C(CCCC1=N[N-]N=N1)NC1=C2SC=CC2=CC=C1	REAL250004610443	0	32	-1.0	-47.37	289.89	4.75	-42.62
O=C(CCCC1=NN=N[N-]1)NC1=C2SC=CC2=CC=C1	REAL250004610443	1	32	-1.0	-47.37	289.95	4.76	-42.61
CN(CC1(O)CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004610445	0	39	-1.0	-46.25	303.35	2.24	-44.01
CN(CC1(O)CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004610445	1	39	-1.0	-46.27	303.40	2.26	-44.01
CSC(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610446	0	35	-1.0	-52.74	305.65	5.29	-47.45
CSC(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610446	1	35	-1.0	-52.52	305.71	5.31	-47.21
CSC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610447	0	32	-1.0	-36.49	291.49	2.18	-34.31
CSC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610447	1	32	-1.0	-36.46	291.56	2.20	-34.26
CC(=O)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610448	0	36	-1.0	-63.53	307.86	5.16	-58.37
CC(=O)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610448	1	36	-1.0	-63.31	307.94	5.18	-58.13
CC(=O)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610449	0	33	-1.0	-43.16	293.71	2.07	-41.09
CC(=O)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610449	1	33	-1.0	-43.08	293.78	2.08	-41.00
O=C(CCCC1=N[N-]N=N1)N1CCC2=CNN=C2C1	REAL250004610450	0	33	-1.0	-49.00	275.23	2.19	-46.81
O=C(CCCC1=NN=N[N-]1)N1CCC2=CNN=C2C1	REAL250004610450	1	33	-1.0	-49.00	275.29	2.21	-46.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=CNN=C2C1	REAL250004610451	0	33	-1.0	-40.06	282.71	2.47	-37.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=CNN=C2C1	REAL250004610451	1	33	-1.0	-39.98	282.78	2.47	-37.51
CC1=CC=CC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004610452	0	38	-1.0	-45.91	313.72	4.53	-41.38
CC1=CC=CC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004610452	1	38	-1.0	-45.91	313.77	4.54	-41.37
COC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610453	0	35	-1.0	-48.78	303.80	0.95	-47.83
COC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610453	1	35	-1.0	-48.78	303.86	0.96	-47.82
CC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004610456	0	36	-1.0	-46.17	282.46	1.60	-44.57
CC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004610456	1	36	-1.0	-46.23	282.52	1.62	-44.61
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL250004610457	0	36	-1.0	-35.49	293.04	1.41	-34.08
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL250004610457	1	36	-1.0	-35.45	293.11	1.42	-34.03
O=C(NC1CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610458	0	33	-1.0	-52.92	278.35	2.95	-49.97
O=C(NC1CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610458	1	33	-1.0	-52.73	278.45	2.97	-49.76
O=C(NC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610459	0	30	-1.0	-35.61	264.56	-0.18	-35.79
O=C(NC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610459	1	30	-1.0	-35.63	264.63	-0.17	-35.80
COC(=O)CC(C)(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610460	0	40	-1.0	-51.95	312.78	3.99	-47.96
COC(=O)CC(C)(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610460	1	40	-1.0	-51.96	312.84	4.00	-47.96
CCC1(CC)C(NC(=O)CCCC2=N[N-]N=N2)CC1OC	REAL250004610461	0	45	-1.0	-45.67	347.66	3.57	-42.10
CCC1(CC)C(NC(=O)CCCC2=NN=N[N-]2)CC1OC	REAL250004610461	1	45	-1.0	-45.69	347.72	3.59	-42.10
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(N(C)C)=N1	REAL250004610462	0	39	-1.0	-46.35	320.68	3.32	-43.03
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(N(C)C)=N1	REAL250004610462	1	39	-1.0	-46.35	320.68	3.32	-43.03
CCOCCO[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610463	0	43	-1.0	-49.66	353.94	3.07	-46.59
CCOCCO[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610463	1	43	-1.0	-49.66	354.00	3.08	-46.58
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004610464	0	40	-1.0	-44.49	323.50	3.56	-40.93
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004610464	1	40	-1.0	-44.49	323.56	3.58	-40.91
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1CC1	REAL250004610465	0	36	-1.0	-48.70	298.19	1.85	-46.85
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1CC1	REAL250004610465	1	36	-1.0	-48.71	298.24	1.86	-46.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC1CC1	REAL250004610466	0	36	-1.0	-35.81	305.85	2.51	-33.30
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC1CC1	REAL250004610466	1	36	-1.0	-35.77	305.92	2.51	-33.26
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12OCCO2	REAL250004610467	0	41	-1.0	-48.20	324.61	2.18	-46.02
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12OCCO2	REAL250004610467	1	41	-1.0	-48.18	324.67	2.20	-45.98
COC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004610469	0	34	-1.0	-46.91	299.40	0.87	-46.04
COC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004610469	1	34	-1.0	-46.94	299.46	0.88	-46.06
O=C(CCCC1=N[N-]N=N1)NCCCOCCO	REAL250004610470	0	36	-1.0	-49.57	307.57	-1.86	-51.43
O=C(CCCC1=NN=N[N-]1)NCCCOCCO	REAL250004610470	1	36	-1.0	-49.55	307.63	-1.84	-51.39
O=C(NCCCOCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610471	0	36	-1.0	-38.96	318.17	-2.06	-41.02
O=C(NCCCOCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610471	1	36	-1.0	-38.94	318.23	-2.05	-40.99
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2CCCCN21	REAL250004610472	0	35	-1.0	-61.52	293.21	5.96	-55.56
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2CCCCN21	REAL250004610472	1	35	-1.0	-61.53	293.27	5.97	-55.56
O=C(CCCC1=N[N-]N=N1)NCCC1CCCCO1	REAL250004610473	0	39	-1.0	-48.78	315.19	2.36	-46.42
O=C(CCCC1=NN=N[N-]1)NCCC1CCCCO1	REAL250004610473	1	39	-1.0	-48.78	315.25	2.38	-46.40
C=CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004610474	0	35	-1.0	-60.76	317.08	-0.54	-61.30
C=CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004610474	1	35	-1.0	-60.81	317.14	-0.53	-61.34
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004610475	0	38	-1.0	-46.14	316.85	5.00	-41.14
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004610475	1	38	-1.0	-46.14	316.90	5.02	-41.12
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004610476	0	37	-1.0	-50.78	317.83	3.97	-46.81
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004610476	1	37	-1.0	-50.78	317.89	3.99	-46.79
O=C(CCCC1=N[N-]N=N1)NCC1CCCCS1	REAL250004610477	0	36	-1.0	-46.31	302.15	3.68	-42.63
O=C(CCCC1=NN=N[N-]1)NCC1CCCCS1	REAL250004610477	1	36	-1.0	-46.32	302.21	3.70	-42.62
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCO1	REAL250004610478	0	30	-1.0	-40.71	256.32	4.57	-36.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCO1	REAL250004610478	1	30	-1.0	-40.60	256.41	4.58	-36.02
CCCCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004610479	0	41	-1.0	-56.19	340.01	2.29	-53.90
CCCCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004610479	1	41	-1.0	-56.17	340.07	2.30	-53.87
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004610480	0	39	-1.0	-46.99	309.87	2.27	-44.72
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004610480	1	39	-1.0	-47.01	309.92	2.29	-44.72
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CSC2=CC=N1	REAL250004610481	0	31	-1.0	-52.35	284.75	4.48	-47.87
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CSC2=CC=N1	REAL250004610481	1	31	-1.0	-52.38	284.69	4.46	-47.92
CC(=O)NC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610482	0	35	-1.0	-54.59	302.61	2.26	-52.33
CC(=O)NC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610482	1	35	-1.0	-54.55	302.56	2.25	-52.30
CC1(C#N)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610483	0	36	-1.0	-55.93	294.78	4.36	-51.57
CC1(C#N)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610483	1	36	-1.0	-55.94	294.84	4.38	-51.56
CC1(C#N)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004610484	0	36	-1.0	-43.34	302.81	4.53	-38.81
CC1(C#N)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004610484	1	36	-1.0	-43.31	302.87	4.55	-38.76
O=C(CCCC1=N[N-]N=N1)N1CCC2(COC(=O)N2)CC1	REAL250004610485	0	38	-1.0	-53.24	305.61	0.98	-52.26
O=C(CCCC1=NN=N[N-]1)N1CCC2(COC(=O)N2)CC1	REAL250004610485	1	38	-1.0	-53.27	305.66	0.99	-52.28
O=C(NNC1=CC=CN=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610486	0	32	-1.0	-53.07	286.47	4.03	-49.04
O=C(NNC1=CC=CN=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610486	1	32	-1.0	-52.97	286.57	4.03	-48.94
O=C(NNC1=CC=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610487	0	29	-1.0	-41.49	272.74	0.93	-40.56
O=C(NNC1=CC=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610487	1	29	-1.0	-41.47	272.81	0.93	-40.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=CNN=C1	REAL250004610488	0	36	-1.0	-49.86	310.12	3.67	-46.19
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=CNN=C1	REAL250004610488	1	36	-1.0	-49.84	310.18	3.69	-46.15
CC(C)(C)OC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004610489	0	42	-1.0	-50.33	336.60	3.01	-47.32
CC(C)(C)OC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004610489	1	42	-1.0	-50.35	336.66	3.02	-47.33
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C=C1F	REAL250004610490	0	30	-1.0	-45.94	269.97	0.60	-45.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C=C1F	REAL250004610490	1	30	-1.0	-45.97	270.03	0.62	-45.35
CC1(NC(=O)CCCC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004610491	0	42	-1.0	-48.69	329.22	5.78	-42.91
CC1(NC(=O)CCCC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004610491	1	42	-1.0	-48.68	329.27	5.79	-42.89
O=C(NN1CCCC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610492	0	33	-1.0	-64.90	287.38	4.10	-60.80
O=C(NN1CCCC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610492	1	33	-1.0	-64.72	287.48	4.12	-60.60
CCNC(=O)N(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610494	0	34	-1.0	-52.27	293.75	0.71	-51.56
CCNC(=O)N(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610494	1	34	-1.0	-52.26	293.81	0.72	-51.54
CC(C)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004610496	0	39	-1.0	-47.65	309.07	3.21	-44.44
CC(C)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004610496	1	39	-1.0	-47.64	309.13	3.23	-44.41
CC1=CC=CC=C1C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610497	0	39	-1.0	-46.79	322.86	1.65	-45.14
CC1=CC=CC=C1C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610497	1	39	-1.0	-46.82	322.91	1.66	-45.16
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCCCC1	REAL250004610498	0	42	-1.0	-45.96	328.90	1.42	-44.54
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCCCC1	REAL250004610498	1	42	-1.0	-45.94	328.96	1.43	-44.51
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CN1	REAL250004610499	0	36	-1.0	-54.23	301.15	3.12	-51.11
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CN1	REAL250004610499	1	36	-1.0	-54.29	301.21	3.14	-51.15
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(=O)N1	REAL250004610500	0	32	-1.0	-51.33	283.47	0.26	-51.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(=O)N1	REAL250004610500	1	32	-1.0	-51.35	283.53	0.27	-51.08
O=C(NCC1=CC=CC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610501	0	32	-1.0	-42.96	294.06	0.05	-42.91
O=C(NCC1=CC=CC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610501	1	32	-1.0	-42.95	294.13	0.05	-42.90
CC1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004610502	0	36	-1.0	-47.34	300.22	5.72	-41.62
CC1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004610502	1	36	-1.0	-47.33	300.28	5.73	-41.60
CC(C)OCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610503	0	41	-1.0	-48.40	337.97	2.79	-45.61
CC(C)OCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610503	1	41	-1.0	-48.43	338.03	2.80	-45.63
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCO)CC1	REAL250004610504	0	42	-1.0	-48.44	328.81	2.29	-46.15
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCO)CC1	REAL250004610504	1	42	-1.0	-48.46	328.87	2.31	-46.15
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCOC2)CC1	REAL250004610505	0	43	-1.0	-48.41	329.48	4.10	-44.31
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCOC2)CC1	REAL250004610505	1	43	-1.0	-48.38	329.53	4.12	-44.26
CC1=CC=CC(O)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610506	0	33	-1.0	-51.65	286.72	1.59	-50.06
CC1=CC=CC(O)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610506	1	33	-1.0	-51.67	286.77	1.60	-50.07
CC1=CC=CC(O)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610507	0	33	-1.0	-39.27	298.87	1.38	-37.89
CC1=CC=CC(O)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610507	1	33	-1.0	-39.24	298.93	1.39	-37.85
O=C(NC(CO)C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610508	0	36	-1.0	-52.62	298.66	2.44	-50.18
O=C(NC(CO)C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610508	1	36	-1.0	-52.44	298.76	2.46	-49.98
O=C(NC(CO)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610509	0	33	-1.0	-36.31	291.77	-0.58	-36.89
O=C(NC(CO)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610509	1	33	-1.0	-36.29	291.84	-0.56	-36.85
CN(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610510	0	37	-1.0	-51.50	312.55	-0.33	-51.83
CN(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610510	1	37	-1.0	-51.54	312.61	-0.32	-51.86
O=C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004610511	0	34	-1.0	-50.28	297.23	4.98	-45.30
O=C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004610511	1	34	-1.0	-50.08	297.33	5.00	-45.08
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004610512	0	31	-1.0	-38.58	283.45	1.87	-36.71
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004610512	1	31	-1.0	-38.53	283.52	1.87	-36.66
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CC(F)=C1	REAL250004610513	0	36	-1.0	-47.19	311.81	1.20	-45.99
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CC(F)=C1	REAL250004610513	1	36	-1.0	-47.21	311.87	1.22	-45.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(F)C1	REAL250004610514	0	29	-1.0	-54.09	253.38	4.61	-49.48
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(F)C1	REAL250004610514	1	29	-1.0	-53.88	253.48	4.63	-49.25
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610515	0	41	-1.0	-47.30	315.09	4.97	-42.33
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610515	1	41	-1.0	-47.35	315.15	4.98	-42.37
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=NN=C2C=C1	REAL250004610516	0	31	-1.0	-54.13	277.14	4.67	-49.46
O=C(CCCC1=N[N-]N=N1)NC1=CN2C=NN=C2C=C1	REAL250004610516	1	31	-1.0	-54.11	277.09	4.65	-49.46
O=C(CCCC1=N[N-]N=N1)NC(CO)CC(F)(F)F	REAL250004610517	0	32	-1.0	-47.52	286.57	-0.33	-47.85
O=C(CCCC1=NN=N[N-]1)NC(CO)CC(F)(F)F	REAL250004610517	1	32	-1.0	-47.53	286.63	-0.31	-47.84
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=NN1	REAL250004610518	0	36	-1.0	-51.23	317.48	-1.60	-52.83
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=NN1	REAL250004610518	1	36	-1.0	-51.26	317.54	-1.58	-52.84
CC(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610519	0	36	-1.0	-49.95	294.95	0.88	-49.07
CC(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610519	1	36	-1.0	-49.97	295.01	0.90	-49.07
CC(O)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004610520	0	36	-1.0	-36.74	297.65	1.34	-35.40
CC(O)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004610520	1	36	-1.0	-36.70	297.71	1.35	-35.35
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL250004610521	0	42	-1.0	-47.46	315.79	5.54	-41.92
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL250004610521	1	42	-1.0	-47.48	315.85	5.56	-41.92
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2)C1	REAL250004610522	0	37	-1.0	-48.63	317.29	6.43	-42.20
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2)C1	REAL250004610522	1	37	-1.0	-48.66	317.35	6.44	-42.22
CCOC(=O)C(C)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610523	0	40	-1.0	-51.59	326.27	3.41	-48.18
CCOC(=O)C(C)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610523	1	40	-1.0	-51.59	326.33	3.42	-48.17
CC1=CC=C2CC(C)C(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004610524	0	42	-1.0	-49.72	340.15	6.35	-43.37
CC1=CC=C2CC(C)C(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004610524	1	42	-1.0	-49.69	340.20	6.36	-43.33
CC(O)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610525	0	38	-1.0	-57.91	314.40	3.23	-54.68
CC(O)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610525	1	38	-1.0	-57.73	314.47	3.25	-54.48
CC(O)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610526	0	35	-1.0	-38.50	302.52	-0.47	-38.97
CC(O)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610526	1	35	-1.0	-38.51	302.58	-0.45	-38.96
COCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004610527	0	39	-1.0	-48.21	334.73	2.41	-45.80
COCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004610527	1	39	-1.0	-48.21	334.78	2.42	-45.79
O=C(CCCC1=N[N-]N=N1)NCC1CC(=O)N(C2CC2)C1	REAL250004610528	0	40	-1.0	-51.78	330.04	2.81	-48.97
O=C(CCCC1=NN=N[N-]1)NCC1CC(=O)N(C2CC2)C1	REAL250004610528	1	40	-1.0	-51.75	330.10	2.82	-48.93
C#CC1(O)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004610529	0	35	-1.0	-56.47	299.06	3.07	-53.40
C#CC1(O)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004610529	1	35	-1.0	-56.02	299.22	3.15	-52.87
C#CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004610530	0	32	-1.0	-38.09	287.70	0.75	-37.34
C#CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004610530	1	32	-1.0	-38.04	287.77	0.75	-37.29
C#CCOCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610531	0	34	-1.0	-54.88	305.16	3.95	-50.93
C#CCOCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610531	1	34	-1.0	-54.70	305.23	3.97	-50.73
C#CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610532	0	31	-1.0	-39.00	291.01	0.85	-38.15
C#CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610532	1	31	-1.0	-38.98	291.07	0.86	-38.12
CC1=NOC(C2CC2)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610533	0	35	-1.0	-49.16	306.97	3.70	-45.46
CC1=NOC(C2CC2)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610533	1	35	-1.0	-49.18	307.03	3.72	-45.46
C=CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610534	0	37	-1.0	-48.38	311.26	3.41	-44.97
C=CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610534	1	37	-1.0	-48.39	311.32	3.42	-44.97
CN(C)C1=CC=[NH+]C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610535	0	36	-1.0	-53.34	302.21	3.48	-49.86
CN(C)C1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610535	1	36	-1.0	-53.35	302.16	3.47	-49.88
CN(C)C1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610535	1	36	-1.0	-53.34	302.21	3.48	-49.86
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004610536	0	41	-1.0	-46.43	314.05	5.52	-40.91
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004610536	1	41	-1.0	-46.44	314.10	5.54	-40.90
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(CO)C1	REAL250004610537	0	33	-1.0	-56.84	279.27	1.87	-54.97
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(CO)C1	REAL250004610537	1	33	-1.0	-56.86	279.97	1.82	-55.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CO)C1	REAL250004610538	0	30	-1.0	-39.38	267.18	-0.72	-40.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CO)C1	REAL250004610538	1	30	-1.0	-39.36	267.24	-0.72	-40.08
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=N2)CC1	REAL250004610539	0	38	-1.0	-46.25	323.65	3.82	-42.43
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=N2)CC1	REAL250004610539	1	38	-1.0	-46.20	323.59	3.81	-42.39
CC(CS(C)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610540	0	36	-1.0	-51.94	303.95	2.61	-49.33
CC(CS(C)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610540	1	36	-1.0	-51.95	304.01	2.62	-49.33
CCC1(C)COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610541	0	39	-1.0	-46.31	295.83	2.98	-43.33
CCC1(C)COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610541	1	39	-1.0	-46.37	295.88	2.99	-43.38
CC1=CC=NC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610542	0	37	-1.0	-47.33	306.23	3.00	-44.33
CC1=CC=NC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610542	1	37	-1.0	-47.31	306.28	3.02	-44.29
C=CCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610543	0	38	-1.0	-46.97	316.23	4.35	-42.62
C=CCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610543	1	38	-1.0	-46.96	316.29	4.37	-42.59
C=CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610544	0	38	-1.0	-35.80	326.83	4.14	-31.66
C=CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610544	1	38	-1.0	-35.79	326.90	4.17	-31.62
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004610545	0	36	-1.0	-52.67	309.09	-2.47	-55.14
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004610545	1	36	-1.0	-52.73	309.15	-2.46	-55.19
COCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004610546	0	35	-1.0	-51.27	306.53	0.65	-50.62
COCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004610546	1	35	-1.0	-51.29	306.58	0.67	-50.62
COC1C(C)C(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004610547	0	42	-1.0	-49.42	333.04	3.06	-46.36
COC1C(C)C(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004610547	1	42	-1.0	-49.44	333.09	3.07	-46.37
O=C(CCCC1=N[N-]N=N1)NCCCCCCO	REAL250004610548	0	38	-1.0	-49.25	316.59	0.22	-49.03
O=C(CCCC1=NN=N[N-]1)NCCCCCCO	REAL250004610548	1	38	-1.0	-49.28	316.65	0.24	-49.04
O=C(NCCCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610549	0	38	-1.0	-37.25	327.18	0.02	-37.23
O=C(NCCCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610549	1	38	-1.0	-37.27	327.25	0.04	-37.23
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=N1	REAL250004610550	0	31	-1.0	-46.76	290.81	2.12	-44.64
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=N1	REAL250004610550	1	31	-1.0	-46.78	290.87	2.14	-44.64
CC[C@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610551	0	35	-1.0	-52.03	295.01	1.91	-50.12
CC[C@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610551	1	35	-1.0	-51.79	295.11	1.93	-49.86
CC[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610552	0	32	-1.0	-36.47	281.23	-1.21	-37.68
CC[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610552	1	32	-1.0	-36.47	281.30	-1.20	-37.67
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(CO)C=C1	REAL250004610553	0	39	-1.0	-50.43	333.40	1.58	-48.85
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(CO)C=C1	REAL250004610553	1	39	-1.0	-50.48	333.45	1.59	-48.89
C=CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004610554	0	36	-1.0	-51.10	293.94	7.00	-44.10
C=CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004610554	1	36	-1.0	-50.95	294.02	7.00	-43.95
C=CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004610555	0	33	-1.0	-36.20	279.97	5.31	-30.89
C=CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004610555	1	33	-1.0	-36.16	280.04	5.31	-30.85
CCCC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610556	0	38	-1.0	-50.12	318.21	4.14	-45.98
CCCC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610556	1	38	-1.0	-50.14	318.27	4.16	-45.98
CN(CC1=NC=C(Cl)N1C)C(=O)CCCC1=N[N-]N=N1	REAL250004610559	0	35	-1.0	-55.41	310.41	4.22	-51.19
CN(CC1=NC=C(Cl)N1C)C(=O)CCCC1=NN=N[N-]1	REAL250004610559	1	35	-1.0	-55.43	310.47	4.23	-51.20
CSC1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610560	0	36	-1.0	-52.00	310.99	5.22	-46.78
CSC1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610560	1	36	-1.0	-52.01	311.05	5.24	-46.77
CCCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004610561	0	38	-1.0	-51.37	301.95	7.19	-44.18
CCCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004610561	1	38	-1.0	-51.21	302.03	7.19	-44.02
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004610562	0	35	-1.0	-35.68	288.57	5.50	-30.18
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004610562	1	35	-1.0	-35.69	288.64	5.50	-30.19
CC(C)CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004610563	0	45	-1.0	-46.41	353.04	3.63	-42.78
CC(C)CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004610563	1	45	-1.0	-46.46	353.10	3.65	-42.81
O=C(CCCC1=N[N-]N=N1)N1CCC12CCC(CO)CC2	REAL250004610564	0	43	-1.0	-52.99	336.14	2.35	-50.64
O=C(CCCC1=NN=N[N-]1)N1CCC12CCC(CO)CC2	REAL250004610564	1	43	-1.0	-53.02	336.20	2.37	-50.65
COC(=O)[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610565	0	32	-1.0	-46.53	283.95	-1.84	-48.37
COC(=O)[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610565	1	32	-1.0	-46.51	284.01	-1.82	-48.33
COC(=O)[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610566	0	32	-1.0	-39.83	294.54	-2.04	-41.87
COC(=O)[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610566	1	32	-1.0	-39.84	294.61	-2.03	-41.87
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004610567	0	34	-1.0	-52.00	294.48	2.34	-49.66
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004610567	1	34	-1.0	-52.02	294.54	2.35	-49.67
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004610568	0	34	-1.0	-42.66	305.07	2.13	-40.53
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004610568	1	34	-1.0	-42.61	305.14	2.13	-40.48
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CC=CN2)C=C1	REAL250004610569	0	37	-1.0	-51.08	315.53	4.79	-46.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CC=CN2)C=C1	REAL250004610569	1	37	-1.0	-51.06	315.59	4.80	-46.26
CN(CC(O)C(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004610570	0	32	-1.0	-46.93	283.85	1.14	-45.79
CN(CC(O)C(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004610570	1	32	-1.0	-46.91	283.91	1.16	-45.75
CN1CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004610571	0	32	-1.0	-55.89	276.04	-2.32	-58.21
CN1CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004610571	1	32	-1.0	-55.86	276.10	-2.30	-58.16
CN1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1	REAL250004610572	0	32	-1.0	-42.53	286.63	-2.52	-45.05
CN1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1	REAL250004610572	1	32	-1.0	-42.51	286.70	-2.52	-45.03
O=C(NOC1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610573	0	36	-1.0	-56.36	301.67	6.54	-49.82
O=C(NOC1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610573	1	36	-1.0	-56.25	302.14	6.52	-49.73
O=C(NOC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610574	0	33	-1.0	-36.26	287.91	3.40	-32.86
O=C(NOC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610574	1	33	-1.0	-36.20	287.98	3.41	-32.79
COCC(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610575	0	33	-1.0	-56.42	296.43	2.98	-53.44
COCC(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610575	1	33	-1.0	-56.13	296.50	3.00	-53.13
COCC(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610576	0	30	-1.0	-39.98	282.27	-0.13	-40.11
COCC(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610576	1	30	-1.0	-40.00	282.34	-0.12	-40.12
CCC(C)N1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004610577	0	41	-1.0	-49.59	335.16	4.76	-44.83
CCC(C)N1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004610577	1	41	-1.0	-49.61	335.22	4.77	-44.84
COCCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610578	0	42	-1.0	-47.01	345.67	2.60	-44.41
COCCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610578	1	42	-1.0	-46.96	345.73	2.62	-44.34
O=C(CCCC1=N[N-]N=N1)NNC1=CC(Cl)=CC=N1	REAL250004610579	0	30	-1.0	-46.16	284.00	2.78	-43.38
O=C(CCCC1=NN=N[N-]1)NNC1=CC(Cl)=CC=N1	REAL250004610579	1	30	-1.0	-46.20	284.05	2.79	-43.41
CC(C)(C)OC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004610580	0	40	-1.0	-52.49	329.55	3.26	-49.23
CC(C)(C)OC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004610580	1	40	-1.0	-52.48	329.60	3.28	-49.20
CCOCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610581	0	38	-1.0	-38.60	312.54	5.37	-33.23
CCOCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610581	1	38	-1.0	-38.47	312.65	5.39	-33.08
CCOCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610582	0	35	-1.0	-35.95	298.43	3.13	-32.82
CCOCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610582	1	35	-1.0	-35.96	298.50	3.15	-32.81
CC(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004610583	0	42	-1.0	-45.75	327.52	3.21	-42.54
CC(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004610583	1	42	-1.0	-45.81	327.58	3.23	-42.58
CC1CCC2=CC=CC=C2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610584	0	42	-1.0	-48.62	329.97	6.21	-42.41
CC1CCC2=CC=CC=C2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610584	1	42	-1.0	-48.64	330.04	6.22	-42.42
CC(C)C1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610585	0	38	-1.0	-58.02	303.05	6.63	-51.39
CC(C)C1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610585	1	38	-1.0	-57.79	303.05	6.66	-51.13
CC(C)C1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610586	0	35	-1.0	-38.00	290.04	4.17	-33.83
CC(C)C1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610586	1	35	-1.0	-37.97	290.11	4.18	-33.79
CC(CCO)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004610587	0	45	-1.0	-49.29	343.11	1.70	-47.59
CC(CCO)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004610587	1	45	-1.0	-49.32	343.17	1.71	-47.61
CC(C)C(O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610588	0	42	-1.0	-46.18	332.71	1.34	-44.84
CC(C)C(O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610588	1	42	-1.0	-46.19	332.76	1.35	-44.84
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1N(C)C	REAL250004610589	0	40	-1.0	-46.99	323.96	4.19	-42.80
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1N(C)C	REAL250004610589	1	40	-1.0	-47.01	324.02	4.20	-42.81
CN1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004610590	0	38	-1.0	-48.41	314.04	3.20	-45.21
CN1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004610590	1	38	-1.0	-48.42	314.10	3.21	-45.21
CN(C)C1=NC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004610591	0	38	-1.0	-49.03	325.89	3.85	-45.18
CN(C)C1=NC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004610591	1	38	-1.0	-49.07	325.95	3.87	-45.20
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004610592	0	39	-1.0	-46.67	305.57	3.38	-43.29
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004610592	1	39	-1.0	-46.68	305.63	3.40	-43.28
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC=CCC1	REAL250004610593	0	33	-1.0	-52.89	271.27	6.03	-46.86
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC=CCC1	REAL250004610593	1	33	-1.0	-52.71	271.36	6.06	-46.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CCC1	REAL250004610594	0	30	-1.0	-35.00	256.59	3.82	-31.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CCC1	REAL250004610594	1	30	-1.0	-34.94	256.66	3.84	-31.10
CC1=C(CCNC(=O)CCCC2=N[N-]N=N2)SC=C1	REAL250004610595	0	35	-1.0	-48.15	309.36	3.90	-44.25
CC1=C(CCNC(=O)CCCC2=NN=N[N-]2)SC=C1	REAL250004610595	1	35	-1.0	-48.15	309.42	3.91	-44.24
O=C(CCCC1=N[N-]N=N1)NCC1COC2(CCCC2)O1	REAL250004610596	0	41	-1.0	-46.97	333.05	2.12	-44.85
O=C(CCCC1=NN=N[N-]1)NCC1COC2(CCCC2)O1	REAL250004610596	1	41	-1.0	-46.98	333.11	2.13	-44.85
C=CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610597	0	33	-1.0	-46.74	290.95	-0.49	-47.23
C=CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610597	1	33	-1.0	-46.78	291.01	-0.47	-47.25
C=CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610598	0	33	-1.0	-39.74	301.54	-0.70	-40.44
C=CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610598	1	33	-1.0	-39.71	301.61	-0.69	-40.40
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004610599	0	42	-1.0	-47.31	314.52	5.63	-41.68
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004610599	1	42	-1.0	-47.38	314.58	5.65	-41.73
O=C(NN1C=NN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610600	0	28	-1.0	-55.27	251.97	5.82	-49.45
O=C(NN1C=NN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610600	1	28	-1.0	-55.05	252.07	5.84	-49.21
O=C(NN1C=NN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610601	0	25	-1.0	-37.11	238.19	2.73	-34.38
O=C(NN1C=NN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610601	1	25	-1.0	-37.12	238.25	2.74	-34.38
NC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004610602	0	32	-1.0	-49.77	284.24	-0.55	-50.32
NC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004610602	1	32	-1.0	-49.76	284.30	-0.54	-50.30
NC1=CC=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004610603	0	32	-1.0	-39.41	294.83	-0.76	-40.17
NC1=CC=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004610603	1	32	-1.0	-39.40	294.90	-0.76	-40.16
NC(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610604	0	35	-1.0	-55.81	299.85	-1.15	-56.96
NC(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610604	1	35	-1.0	-55.85	299.91	-1.13	-56.98
NC(=O)CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610605	0	35	-1.0	-42.30	310.44	-1.35	-43.65
NC(=O)CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610605	1	35	-1.0	-42.31	310.51	-1.34	-43.65
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004610606	0	44	-1.0	-45.87	318.65	4.67	-41.20
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004610606	1	44	-1.0	-45.85	318.70	4.68	-41.17
CCC1=CN=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610607	0	40	-1.0	-47.50	325.26	3.69	-43.81
CCC1=CN=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610607	1	40	-1.0	-47.53	325.31	3.71	-43.82
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2CCOCC2=C1	REAL250004610608	0	36	-1.0	-48.27	302.07	1.63	-46.64
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2CCOCC2=C1	REAL250004610608	1	36	-1.0	-48.29	302.13	1.65	-46.64
CCC(CSC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610609	0	38	-1.0	-50.63	318.05	5.55	-45.08
CCC(CSC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610609	1	38	-1.0	-50.66	318.11	5.56	-45.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC=C(F)C1	REAL250004610611	0	33	-1.0	-50.88	277.56	6.10	-44.78
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC=C(F)C1	REAL250004610611	1	33	-1.0	-51.03	277.74	6.17	-44.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC=C(F)C1	REAL250004610612	0	30	-1.0	-35.46	262.93	3.86	-31.60
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC=C(F)C1	REAL250004610612	1	30	-1.0	-35.40	263.00	3.88	-31.52
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004610613	0	42	-1.0	-52.30	322.75	3.82	-48.48
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004610613	1	42	-1.0	-52.31	322.81	3.84	-48.47
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004610614	0	34	-1.0	-47.86	291.73	0.61	-47.25
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004610614	1	34	-1.0	-47.86	291.79	0.63	-47.23
COC1C(C)C(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004610615	0	43	-1.0	-47.12	345.83	3.97	-43.15
COC1C(C)C(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004610615	1	43	-1.0	-47.12	345.89	3.99	-43.13
O=C(CCCC1=N[N-]N=N1)NC1CCCOCC1	REAL250004610616	0	36	-1.0	-47.40	284.61	1.20	-46.20
O=C(CCCC1=NN=N[N-]1)NC1CCCOCC1	REAL250004610616	1	36	-1.0	-47.45	284.67	1.21	-46.24
O=C(NC1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610617	0	36	-1.0	-35.76	295.20	0.99	-34.77
O=C(NC1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610617	1	36	-1.0	-35.76	295.27	0.99	-34.77
CCC1CCC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004610618	0	38	-1.0	-46.20	287.75	4.62	-41.58
CCC1CCC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004610618	1	38	-1.0	-46.21	287.81	4.64	-41.57
CCC1CCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610619	0	38	-1.0	-36.80	305.77	5.32	-31.48
CCC1CCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610619	1	38	-1.0	-36.75	305.84	5.33	-31.42
C=CCN(CCC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004610620	0	39	-1.0	-48.19	333.39	6.00	-42.19
C=CCN(CCC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004610620	1	39	-1.0	-48.23	333.44	6.01	-42.22
CC(C)C1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610621	0	44	-1.0	-45.11	321.25	6.34	-38.77
CC(C)C1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610621	1	44	-1.0	-45.15	321.31	6.36	-38.79
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)O1	REAL250004610622	0	42	-1.0	-45.43	324.97	2.94	-42.49
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)O1	REAL250004610622	1	42	-1.0	-45.47	325.03	2.96	-42.51
COCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610623	0	42	-1.0	-46.32	322.71	3.70	-42.62
COCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610623	1	42	-1.0	-46.33	322.77	3.71	-42.62
COC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004610624	0	39	-1.0	-46.69	317.18	2.18	-44.51
COC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004610624	1	39	-1.0	-46.73	317.24	2.19	-44.54
O=C(CCCC1=N[N-]N=N1)NC1CCC2(C1)OCCO2	REAL250004610625	0	38	-1.0	-49.31	311.23	1.39	-47.92
O=C(CCCC1=NN=N[N-]1)NC1CCC2(C1)OCCO2	REAL250004610625	1	38	-1.0	-49.29	311.29	1.40	-47.89
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCOCC1	REAL250004610626	0	43	-1.0	-48.46	327.92	4.67	-43.79
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCOCC1	REAL250004610626	1	43	-1.0	-48.47	327.98	4.68	-43.79
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004610627	0	47	-1.0	-47.08	352.22	5.05	-42.03
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004610627	1	47	-1.0	-47.14	352.27	5.06	-42.08
CSC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004610628	0	35	-1.0	-47.01	317.47	2.88	-44.13
CSC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004610628	1	35	-1.0	-47.01	317.53	2.89	-44.12
CC1(NC(=O)CCCC2=N[N-]N=N2)CCCOC1	REAL250004610629	0	36	-1.0	-47.65	283.27	1.45	-46.20
CC1(NC(=O)CCCC2=NN=N[N-]2)CCCOC1	REAL250004610629	1	36	-1.0	-47.61	283.33	1.47	-46.14
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCOC1	REAL250004610630	0	36	-1.0	-37.29	293.85	1.26	-36.03
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCOC1	REAL250004610630	1	36	-1.0	-37.28	293.92	1.26	-36.02
CC(C(N)=O)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610631	0	35	-1.0	-43.93	290.06	2.00	-41.93
CC(C(N)=O)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610631	1	35	-1.0	-43.79	290.17	2.02	-41.77
CC(C(N)=O)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610632	0	32	-1.0	-41.75	274.94	-0.30	-42.05
CC(C(N)=O)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610632	1	32	-1.0	-41.69	275.00	-0.29	-41.98
C=CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004610633	0	38	-1.0	-44.87	320.95	3.35	-41.52
C=CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004610633	1	38	-1.0	-44.86	321.01	3.36	-41.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004610634	0	39	-1.0	-45.70	309.93	2.35	-43.35
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004610634	1	39	-1.0	-45.72	309.99	2.37	-43.35
CCOCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610635	0	40	-1.0	-48.80	337.78	2.23	-46.57
CCOCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610635	1	40	-1.0	-48.82	337.83	2.25	-46.57
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004610636	0	39	-1.0	-47.66	313.47	2.24	-45.42
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004610636	1	39	-1.0	-47.66	313.53	2.25	-45.41
CCCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004610637	0	34	-1.0	-51.87	304.48	4.31	-47.56
CCCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004610637	1	34	-1.0	-51.85	304.42	4.30	-47.55
CC(C)(CCCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610638	0	41	-1.0	-47.60	323.70	0.60	-47.00
CC(C)(CCCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610638	1	41	-1.0	-47.61	323.76	0.61	-47.00
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCCCC1	REAL250004610639	0	39	-1.0	-46.01	301.35	0.87	-45.14
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCCCC1	REAL250004610639	1	39	-1.0	-46.02	301.41	0.89	-45.13
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCOCC1	REAL250004610640	0	37	-1.0	-45.88	293.06	-1.61	-47.49
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCOCC1	REAL250004610640	1	37	-1.0	-45.87	293.12	-1.60	-47.47
CCCC(C)(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610641	0	38	-1.0	-45.98	299.00	-0.16	-46.14
CCCC(C)(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610641	1	38	-1.0	-46.00	299.06	-0.14	-46.14
CCCC(C)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610642	0	38	-1.0	-36.78	309.59	-0.37	-37.15
CCCC(C)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610642	1	38	-1.0	-36.68	309.65	-0.36	-37.04
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)C2=CC=CC=C21	REAL250004610643	0	35	-1.0	-48.59	304.87	3.84	-44.75
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)C2=CC=CC=C21	REAL250004610643	1	35	-1.0	-48.67	304.93	3.85	-44.82
CC#CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610644	0	33	-1.0	-55.40	293.03	5.59	-49.81
CC#CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610644	1	33	-1.0	-55.17	293.10	5.61	-49.56
CC#CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610645	0	30	-1.0	-36.83	278.87	2.50	-34.33
CC#CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610645	1	30	-1.0	-36.82	278.94	2.52	-34.30
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2CCCC2=C1	REAL250004610646	0	35	-1.0	-48.89	293.47	3.46	-45.43
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2CCCC2=C1	REAL250004610646	1	35	-1.0	-48.97	293.52	3.48	-45.49
CC(O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610647	0	39	-1.0	-46.47	297.95	2.95	-43.52
CC(O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610647	1	39	-1.0	-46.51	298.01	2.97	-43.54
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004610648	0	36	-1.0	-56.73	305.95	0.89	-55.84
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004610648	1	36	-1.0	-56.75	306.01	0.91	-55.84
CC1=CC=CC(F)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610649	0	32	-1.0	-49.96	283.18	4.40	-45.56
CC1=CC=CC(F)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610649	1	32	-1.0	-49.99	283.24	4.41	-45.58
CC1=CC=CC(F)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610650	0	32	-1.0	-39.00	293.91	4.21	-34.79
CC1=CC=CC(F)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610650	1	32	-1.0	-38.98	293.84	4.21	-34.77
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004610651	0	36	-1.0	-55.08	306.00	0.90	-54.18
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004610651	1	36	-1.0	-55.10	306.06	0.91	-54.19
CCCCN(CCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004610652	0	41	-1.0	-49.64	333.15	2.47	-47.17
CCCCN(CCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004610652	1	41	-1.0	-49.66	333.21	2.48	-47.18
CSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004610653	0	36	-1.0	-47.66	309.07	5.18	-42.48
CSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004610653	1	36	-1.0	-47.68	309.13	5.19	-42.49
O=C(CCCC1=N[N-]N=N1)NCCCC(=O)NC1CC1	REAL250004610654	0	39	-1.0	-50.52	331.88	1.27	-49.25
O=C(CCCC1=NN=N[N-]1)NCCCC(=O)NC1CC1	REAL250004610654	1	39	-1.0	-50.49	331.94	1.29	-49.20
CC(C)(C)C(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610655	0	41	-1.0	-46.72	317.80	0.66	-46.06
CC(C)(C)C(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610655	1	41	-1.0	-46.75	317.86	0.67	-46.08
NC(=O)OCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610656	0	33	-1.0	-54.92	293.93	-0.59	-55.51
NC(=O)OCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610656	1	33	-1.0	-54.75	294.00	-0.57	-55.32
NC(=O)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610657	0	30	-1.0	-39.32	279.78	-3.69	-43.01
NC(=O)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610657	1	30	-1.0	-39.31	279.84	-3.68	-42.99
NC(=O)CONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610658	0	30	-1.0	-68.64	274.02	1.44	-67.20
NC(=O)CONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610658	1	30	-1.0	-68.45	274.09	1.47	-66.98
NC(=O)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610659	0	27	-1.0	-45.26	259.87	-1.66	-46.92
NC(=O)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610659	1	27	-1.0	-45.26	259.94	-1.65	-46.91
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC1CC1	REAL250004610660	0	36	-1.0	-46.62	309.68	0.52	-46.10
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC1CC1	REAL250004610660	1	36	-1.0	-46.62	309.74	0.53	-46.09
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCOC2)C1	REAL250004610661	0	41	-1.0	-46.99	322.47	0.61	-46.38
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCOC2)C1	REAL250004610661	1	41	-1.0	-46.95	322.53	0.63	-46.32
O=C(CCCC1=N[N-]N=N1)NCC1CCC2=CC=CC=C2C1	REAL250004610662	0	42	-1.0	-47.13	339.58	5.97	-41.16
O=C(CCCC1=NN=N[N-]1)NCC1CCC2=CC=CC=C2C1	REAL250004610662	1	42	-1.0	-47.10	339.64	5.98	-41.12
CCC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004610663	0	37	-1.0	-46.36	310.47	3.13	-43.23
CCC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004610663	1	37	-1.0	-46.37	310.52	3.14	-43.23
CN(CC1CCCCC1O)C(=O)CCCC1=N[N-]N=N1	REAL250004610664	0	42	-1.0	-47.50	323.19	2.61	-44.89
CN(CC1CCCCC1O)C(=O)CCCC1=NN=N[N-]1	REAL250004610664	1	42	-1.0	-47.48	323.26	2.63	-44.85
N#CC1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610665	0	31	-1.0	-46.82	274.73	3.64	-43.18
N#CC1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610665	1	31	-1.0	-46.86	274.79	3.66	-43.20
CC1C(C)[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610666	1	40	-1.0	-45.80	301.11	2.10	-43.70
CC1C(C)[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610666	1	40	-1.0	-45.86	301.17	2.12	-43.74
CC1C(C)N(C(=O)CCCC2=N[N-]N=N2)CCN1C	REAL250004610666	1	40	-1.0	-45.80	301.11	2.10	-43.70
CC1C(C)N(C(=O)CCCC2=NN=N[N-]2)CCN1C	REAL250004610666	1	40	-1.0	-45.86	301.17	2.12	-43.74
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004610667	0	32	-1.0	-46.51	297.77	5.65	-40.86
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004610667	1	32	-1.0	-46.54	297.83	5.67	-40.87
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCOCC1	REAL250004610668	0	37	-1.0	-47.03	307.02	-0.34	-47.37
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCOCC1	REAL250004610668	1	37	-1.0	-47.04	307.08	-0.33	-47.37
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004610669	0	36	-1.0	-46.39	290.38	2.69	-43.70
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004610669	1	36	-1.0	-46.41	290.44	2.70	-43.71
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)O1	REAL250004610670	0	36	-1.0	-34.63	298.03	2.96	-31.67
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)O1	REAL250004610670	1	36	-1.0	-34.61	298.09	2.97	-31.64
O=C(CCCC1=N[N-]N=N1)NC1CC12CCCCC2	REAL250004610671	0	39	-1.0	-46.58	309.79	4.62	-41.96
O=C(CCCC1=NN=N[N-]1)NC1CC12CCCCC2	REAL250004610671	1	39	-1.0	-46.62	309.85	4.63	-41.99
O=C(NC1CC12CCCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610672	0	39	-1.0	-34.84	320.90	4.40	-30.44
O=C(NC1CC12CCCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610672	1	39	-1.0	-34.80	320.97	4.41	-30.39
CN(CCC1=CN=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004610673	0	36	-1.0	-50.10	307.66	2.73	-47.37
CN(CCC1=CN=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004610673	1	36	-1.0	-50.14	307.71	2.74	-47.40
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(F)(F)C1	REAL250004610674	0	32	-1.0	-56.78	275.31	5.48	-51.30
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(F)(F)C1	REAL250004610674	1	32	-1.0	-56.13	275.43	5.57	-50.56
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)(F)C1	REAL250004610675	0	29	-1.0	-34.87	262.58	3.25	-31.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(F)(F)C1	REAL250004610675	1	29	-1.0	-34.87	262.65	3.25	-31.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CC2)C=C1	REAL250004610676	0	36	-1.0	-48.40	302.49	5.46	-42.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CC2)C=C1	REAL250004610676	1	36	-1.0	-48.43	302.55	5.47	-42.96
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CCC1CC2	REAL250004610677	0	39	-1.0	-56.38	299.33	7.04	-49.34
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CCC1CC2	REAL250004610677	1	39	-1.0	-56.78	299.31	6.99	-49.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC1CC2	REAL250004610678	0	36	-1.0	-36.42	287.78	4.98	-31.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC1CC2	REAL250004610678	1	36	-1.0	-36.40	287.85	5.00	-31.40
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CC=N1	REAL250004610679	0	33	-1.0	-52.46	289.56	0.60	-51.86
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CC=N1	REAL250004610679	1	33	-1.0	-52.47	289.62	0.62	-51.85
O=C(NCCC1=CN=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610680	0	33	-1.0	-39.59	300.16	0.40	-39.19
O=C(NCCC1=CN=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610680	1	33	-1.0	-39.55	300.23	0.41	-39.14
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CC=C2)C1	REAL250004610681	0	39	-1.0	-48.77	329.19	6.48	-42.29
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CC=C2)C1	REAL250004610681	1	39	-1.0	-48.75	329.24	6.50	-42.25
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004610682	0	36	-1.0	-47.39	287.69	0.94	-46.45
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004610682	1	36	-1.0	-47.38	287.75	0.95	-46.43
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1O	REAL250004610683	0	36	-1.0	-36.78	294.30	1.32	-35.46
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1O	REAL250004610683	1	36	-1.0	-36.73	294.37	1.32	-35.41
CC1=CN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)O1	REAL250004610684	0	34	-1.0	-46.83	296.62	-0.09	-46.92
CC1=CN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)O1	REAL250004610684	1	34	-1.0	-46.82	296.68	-0.07	-46.89
CC1=CN=C(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004610685	0	34	-1.0	-37.86	307.19	-0.29	-38.15
CC1=CN=C(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004610685	1	34	-1.0	-37.80	307.26	-0.28	-38.08
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCOC1	REAL250004610686	0	37	-1.0	-47.17	303.05	-1.98	-49.15
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCOC1	REAL250004610686	1	37	-1.0	-47.16	303.11	-1.96	-49.12
CCC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610687	0	35	-1.0	-48.01	297.44	2.46	-45.55
CCC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610687	1	35	-1.0	-48.06	297.50	2.47	-45.59
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610688	0	35	-1.0	-36.95	308.01	2.25	-34.70
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610688	1	35	-1.0	-36.89	308.07	2.26	-34.63
CCC1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610689	0	42	-1.0	-46.89	325.72	1.35	-45.54
CCC1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610689	1	42	-1.0	-46.87	325.77	1.37	-45.50
C=CCC(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610690	0	36	-1.0	-46.81	300.95	0.21	-46.60
C=CCC(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610690	1	36	-1.0	-46.82	301.01	0.22	-46.60
C=CCC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610691	0	36	-1.0	-36.99	309.84	0.23	-36.76
C=CCC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610691	1	36	-1.0	-36.99	309.91	0.24	-36.75
CCC(CSC)NC(=O)CCCC1=N[N-]N=N1	REAL250004610692	0	35	-1.0	-47.92	297.97	3.19	-44.73
CCC(CSC)NC(=O)CCCC1=NN=N[N-]1	REAL250004610692	1	35	-1.0	-47.93	298.03	3.20	-44.73
CCC(CSC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610693	0	35	-1.0	-37.49	308.56	2.99	-34.50
CCC(CSC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610693	1	35	-1.0	-37.45	308.62	3.00	-34.45
CC#CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610694	0	30	-1.0	-51.72	271.52	4.80	-46.92
CC#CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610694	1	30	-1.0	-51.51	271.59	4.82	-46.69
CC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610695	0	35	-1.0	-58.69	303.71	1.06	-57.63
CC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610695	1	35	-1.0	-58.74	303.77	1.08	-57.66
CC(=O)C1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610695	1	35	-1.0	-58.69	303.71	1.06	-57.63
CC(=O)C1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610695	1	35	-1.0	-58.74	303.77	1.08	-57.66
CN(CC1=NOC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004610697	0	30	-1.0	-51.52	266.50	0.37	-51.15
CN(CC1=NOC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004610697	1	30	-1.0	-51.55	266.55	0.39	-51.16
CN(CC1=NOC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610698	0	30	-1.0	-40.24	274.46	0.79	-39.45
CN(CC1=NOC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610698	1	30	-1.0	-40.24	274.52	0.79	-39.45
CN1C(CNC(=O)CCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004610699	0	38	-1.0	-51.60	326.24	3.82	-47.78
CN1C(CNC(=O)CCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004610699	1	38	-1.0	-51.61	326.30	3.84	-47.77
CC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610700	0	34	-1.0	-46.97	295.37	2.34	-44.63
CC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610700	1	34	-1.0	-46.96	295.43	2.35	-44.61
CC1=CN=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004610701	0	34	-1.0	-36.85	305.97	2.12	-34.73
CC1=CN=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004610701	1	34	-1.0	-36.85	306.03	2.13	-34.72
CC(C#N)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004610702	0	36	-1.0	-48.53	294.65	4.98	-43.55
CC(C#N)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004610702	1	36	-1.0	-48.56	294.71	4.99	-43.57
CC(C#N)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004610703	0	36	-1.0	-39.52	303.77	5.84	-33.68
CC(C#N)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004610703	1	36	-1.0	-39.48	303.84	5.84	-33.64
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC=C2C1	REAL250004610704	0	39	-1.0	-47.76	309.27	6.39	-41.37
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC=C2C1	REAL250004610704	1	39	-1.0	-47.77	309.33	6.40	-41.37
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(F)(F)F	REAL250004610706	0	35	-1.0	-47.20	299.24	0.24	-46.96
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(F)(F)F	REAL250004610706	1	35	-1.0	-47.23	299.30	0.26	-46.97
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1CCC#N	REAL250004610707	0	36	-1.0	-52.02	318.02	3.94	-48.08
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1CCC#N	REAL250004610707	1	36	-1.0	-52.05	318.08	3.95	-48.10
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1[O-]	REAL250004610708	0	30	-1.0	-45.44	278.54	1.19	-44.25
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1[O-]	REAL250004610708	1	30	-1.0	-45.47	278.59	1.20	-44.27
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1O	REAL250004610708	1	30	-1.0	-45.44	278.54	1.19	-44.25
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1O	REAL250004610708	1	30	-1.0	-45.47	278.59	1.20	-44.27
N#CC1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610709	0	31	-1.0	-51.74	283.36	1.04	-50.70
N#CC1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610709	1	31	-1.0	-51.75	283.41	1.05	-50.70
N#CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610709	1	31	-1.0	-51.74	283.36	1.04	-50.70
N#CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610709	1	31	-1.0	-51.75	283.41	1.05	-50.70
COC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610710	0	34	-1.0	-51.03	292.00	-0.09	-51.12
COC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610710	1	34	-1.0	-51.03	292.05	-0.08	-51.11
CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004610711	0	33	-1.0	-47.41	283.41	1.37	-46.04
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004610711	1	33	-1.0	-47.43	283.46	1.39	-46.04
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1O	REAL250004610712	0	33	-1.0	-36.82	293.98	1.15	-35.67
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1O	REAL250004610712	1	33	-1.0	-36.79	294.04	1.17	-35.62
CC(C)(CO)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610713	0	44	-1.0	-48.00	330.50	-0.43	-48.43
CC(C)(CO)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610713	1	44	-1.0	-48.04	330.55	-0.41	-48.45
CC(C)(CO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610713	1	44	-1.0	-48.00	330.50	-0.43	-48.43
CC(C)(CO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610713	1	44	-1.0	-48.04	330.55	-0.41	-48.45
CN(CC(C)(CO)CO)C(=O)CCCC1=N[N-]N=N1	REAL250004610714	0	39	-1.0	-48.72	302.75	-0.68	-49.40
CN(CC(C)(CO)CO)C(=O)CCCC1=NN=N[N-]1	REAL250004610714	1	39	-1.0	-48.76	302.81	-0.67	-49.43
C=CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610715	0	36	-1.0	-53.76	298.18	3.31	-50.45
C=CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610715	1	36	-1.0	-54.90	298.01	3.34	-51.56
C=CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610716	0	33	-1.0	-36.86	287.90	1.44	-35.42
C=CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610716	1	33	-1.0	-36.84	287.97	1.44	-35.40
CC1=CC(Cl)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004610717	0	33	-1.0	-48.11	300.12	1.88	-46.23
CC1=CC(Cl)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004610717	1	33	-1.0	-48.14	300.18	1.90	-46.24
CCC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610718	0	36	-1.0	-47.69	305.41	2.07	-45.62
CCC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610718	1	36	-1.0	-47.67	305.47	2.09	-45.58
CN1C=C(C(CO)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004610719	0	36	-1.0	-49.21	310.48	-1.21	-50.42
CN1C=C(C(CO)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004610719	1	36	-1.0	-49.22	310.42	-1.23	-50.45
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC(O)=C21	REAL250004610721	0	37	-1.0	-48.34	296.87	4.98	-43.36
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC(O)=C21	REAL250004610721	1	37	-1.0	-48.35	296.93	4.99	-43.36
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC2=NNC=C21	REAL250004610722	0	35	-1.0	-52.91	300.48	2.70	-50.21
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC2=NNC=C21	REAL250004610722	1	35	-1.0	-52.95	300.53	2.71	-50.24
O=C(CCCC1=N[N-]N=N1)NCC12CCC(CC1)C2	REAL250004610723	0	39	-1.0	-45.75	307.75	4.14	-41.61
O=C(CCCC1=NN=N[N-]1)NCC12CCC(CC1)C2	REAL250004610723	1	39	-1.0	-45.75	307.81	4.15	-41.60
O=C(NCC12CCC(CC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610724	0	39	-1.0	-34.68	318.22	3.94	-30.74
O=C(NCC12CCC(CC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610724	1	39	-1.0	-34.63	318.29	3.94	-30.69
CCC1=CC=C(OC(=O)CCCC2=N[N-]N=N2)C(OC)=C1	REAL250004610725	0	38	-1.0	-47.36	325.38	6.80	-40.56
CCC1=CC=C(OC(=O)CCCC2=NN=N[N-]2)C(OC)=C1	REAL250004610725	1	38	-1.0	-47.39	325.44	6.81	-40.58
CCC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004610726	0	41	-1.0	-46.63	339.48	5.75	-40.88
CCC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004610726	1	41	-1.0	-46.61	339.54	5.77	-40.84
CC1=NNC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610727	0	33	-1.0	-47.21	295.65	-0.71	-47.92
CC1=NNC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610727	1	33	-1.0	-47.23	295.71	-0.70	-47.93
COC(=O)[C@@H](O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610729	0	32	-1.0	-49.24	285.53	-1.18	-50.42
COC(=O)[C@@H](O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610729	1	32	-1.0	-49.22	285.59	-1.16	-50.38
COC(=O)[C@@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610730	0	32	-1.0	-38.59	296.12	-1.38	-39.97
COC(=O)[C@@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610730	1	32	-1.0	-38.53	296.19	-1.38	-39.91
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCC1=O	REAL250004610731	0	41	-1.0	-51.98	320.95	5.41	-46.57
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCC1=O	REAL250004610731	1	41	-1.0	-51.99	321.01	5.43	-46.56
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CC1	REAL250004610732	0	37	-1.0	-45.99	287.15	2.90	-43.09
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CC1	REAL250004610732	1	37	-1.0	-45.95	287.21	2.92	-43.03
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CNC1=O	REAL250004610733	0	32	-1.0	-53.83	280.91	0.95	-52.88
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CNC1=O	REAL250004610733	1	32	-1.0	-53.89	280.97	0.96	-52.93
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CNC1=O	REAL250004610734	0	32	-1.0	-40.73	291.50	0.73	-40.00
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CNC1=O	REAL250004610734	1	32	-1.0	-40.75	291.57	0.75	-40.00
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NC=CO2)=C1	REAL250004610735	0	35	-1.0	-54.55	309.46	1.87	-52.68
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NC=CO2)=C1	REAL250004610735	1	35	-1.0	-54.50	309.40	1.86	-52.64
CCC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004610736	0	37	-1.0	-48.99	316.12	2.21	-46.78
CCC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004610736	1	37	-1.0	-48.97	316.18	2.22	-46.75
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004610737	0	35	-1.0	-49.01	300.45	1.71	-47.30
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004610737	1	35	-1.0	-49.01	300.51	1.72	-47.29
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1C	REAL250004610738	0	35	-1.0	-38.60	311.18	1.50	-37.10
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NN1C	REAL250004610738	1	35	-1.0	-38.58	311.24	1.50	-37.08
CN(C(=O)CCCC1=N[N-]N=N1)C1CCSC1	REAL250004610739	0	33	-1.0	-47.79	277.04	4.12	-43.67
CN(C(=O)CCCC1=NN=N[N-]1)C1CCSC1	REAL250004610739	1	33	-1.0	-47.80	277.09	4.13	-43.67
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCSC1	REAL250004610740	0	33	-1.0	-35.35	285.18	4.54	-30.81
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCSC1	REAL250004610740	1	33	-1.0	-35.34	285.25	4.56	-30.78
COC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610741	0	32	-1.0	-51.92	279.01	2.36	-49.56
COC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610741	1	32	-1.0	-51.90	279.07	2.37	-49.53
COC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004610742	0	32	-1.0	-39.52	289.66	2.14	-37.38
COC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004610742	1	32	-1.0	-39.55	289.59	2.14	-37.41
CN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C(F)F	REAL250004610743	0	32	-1.0	-49.82	280.94	1.86	-47.96
CN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C(F)F	REAL250004610743	1	32	-1.0	-49.87	280.99	1.87	-48.00
O=C(CCCC1=NN=N[N-]1)NC1=CN=CC2=CC=CC=C21	REAL250004610744	0	34	-1.0	-52.79	291.87	3.97	-48.82
O=C(CCCC1=N[N-]N=N1)NC1=CN=CC2=CC=CC=C21	REAL250004610744	1	34	-1.0	-52.74	291.81	3.95	-48.79
CN(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004610745	0	39	-1.0	-47.95	306.24	3.35	-44.60
CN(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004610745	1	39	-1.0	-47.95	306.30	3.37	-44.58
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=CC=C1	REAL250004610746	0	39	-1.0	-47.60	329.07	2.00	-45.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=CC=C1	REAL250004610746	1	39	-1.0	-47.65	329.13	2.01	-45.64
O=C(CCCC1=N[N-]N=N1)N(CCCCO)C1CC1	REAL250004610747	0	39	-1.0	-48.53	315.62	2.07	-46.46
O=C(CCCC1=NN=N[N-]1)N(CCCCO)C1CC1	REAL250004610747	1	39	-1.0	-48.52	315.68	2.09	-46.43
O=C(NC1(CO)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610748	0	33	-1.0	-54.17	285.11	1.62	-52.55
O=C(NC1(CO)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610748	1	33	-1.0	-53.97	285.21	1.62	-52.35
O=C(NC1(CO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610749	0	30	-1.0	-37.75	271.67	-1.74	-39.49
O=C(NC1(CO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610749	1	30	-1.0	-37.73	271.73	-1.73	-39.46
O=C(CCCC1=N[N-]N=N1)NCCC1=NOC=C1	REAL250004610750	0	31	-1.0	-53.45	275.55	1.54	-51.91
O=C(CCCC1=NN=N[N-]1)NCCC1=NOC=C1	REAL250004610750	1	31	-1.0	-53.42	275.61	1.56	-51.86
O=C(NCCC1=NOC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610751	0	34	-1.0	-60.24	299.90	4.46	-55.78
O=C(NCCC1=NOC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610751	1	34	-1.0	-59.57	300.37	4.45	-55.12
O=C(NCCC1=NOC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610752	0	31	-1.0	-40.15	286.14	1.34	-38.81
O=C(NCCC1=NOC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610752	1	31	-1.0	-40.12	286.21	1.35	-38.77
CC(CO)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610753	0	35	-1.0	-52.71	283.26	2.73	-49.98
CC(CO)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610753	1	35	-1.0	-52.42	283.32	2.74	-49.68
CC(CO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610754	0	32	-1.0	-36.74	268.33	0.55	-36.19
CC(CO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610754	1	32	-1.0	-36.71	268.39	0.56	-36.15
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL250004610755	0	42	-1.0	-47.27	342.09	6.22	-41.05
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C2CCCC2=C1	REAL250004610755	1	42	-1.0	-47.30	342.14	6.24	-41.06
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2C=C1	REAL250004610756	0	36	-1.0	-48.65	313.48	4.45	-44.20
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2C=C1	REAL250004610756	1	36	-1.0	-48.65	313.54	4.46	-44.19
O=C(NNC1=CC=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610757	0	33	-1.0	-52.04	291.51	5.15	-46.89
O=C(NNC1=CC=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610757	1	33	-1.0	-51.87	291.62	5.15	-46.72
O=C(NNC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610758	0	30	-1.0	-37.86	277.79	2.06	-35.80
O=C(NNC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610758	1	30	-1.0	-37.86	277.86	2.06	-35.80
CCOC(=O)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610759	0	35	-1.0	-53.83	310.92	2.23	-51.60
CCOC(=O)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610759	1	35	-1.0	-53.80	310.98	2.24	-51.56
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NC=N1	REAL250004610760	0	33	-1.0	-47.65	290.55	2.06	-45.59
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NC=N1	REAL250004610760	1	33	-1.0	-47.66	290.61	2.07	-45.59
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NC=N1	REAL250004610761	0	33	-1.0	-37.85	301.14	1.85	-36.00
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC=N1	REAL250004610761	1	33	-1.0	-37.78	301.21	1.85	-35.93
CC(O)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610762	0	40	-1.0	-53.85	318.25	0.91	-52.94
CC(O)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610762	1	40	-1.0	-53.83	318.31	0.93	-52.90
NC(=O)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610763	0	42	-1.0	-55.62	333.57	1.70	-53.92
NC(=O)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610763	1	42	-1.0	-55.61	333.63	1.72	-53.89
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC(F)=C2C1	REAL250004610764	0	36	-1.0	-46.42	301.08	5.79	-40.63
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC(F)=C2C1	REAL250004610764	1	36	-1.0	-46.44	301.14	5.80	-40.64
COCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610765	0	40	-1.0	-47.07	318.26	0.67	-46.40
COCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610765	1	40	-1.0	-47.11	318.31	0.69	-46.42
COC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004610766	0	36	-1.0	-54.32	297.57	4.02	-50.30
COC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004610766	1	36	-1.0	-53.61	297.54	4.06	-49.55
COC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004610767	0	33	-1.0	-35.97	285.16	1.54	-34.43
COC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004610767	1	33	-1.0	-35.94	285.23	1.55	-34.39
CN1C=NN=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610768	0	38	-1.0	-57.42	316.89	5.26	-52.16
CN1C=NN=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610768	1	38	-1.0	-57.41	316.94	5.27	-52.14
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)C1=CC=CC=C1	REAL250004610769	0	36	-1.0	-46.55	305.40	1.13	-45.42
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)C1=CC=CC=C1	REAL250004610769	1	36	-1.0	-46.54	305.46	1.15	-45.39
O=C(NC1CNC(=O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610770	0	33	-1.0	-53.98	284.56	1.23	-52.75
O=C(NC1CNC(=O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610770	1	33	-1.0	-54.15	285.05	1.20	-52.95
O=C(NC1CNC(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610771	0	30	-1.0	-38.48	270.82	-1.92	-40.40
O=C(NC1CNC(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610771	1	30	-1.0	-38.49	270.89	-1.92	-40.41
CCC(C)(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610772	0	38	-1.0	-46.82	294.94	-0.15	-46.97
CCC(C)(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610772	1	38	-1.0	-46.82	295.00	-0.14	-46.96
CCC(C)(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610773	0	38	-1.0	-37.05	305.53	-0.35	-37.40
CCC(C)(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610773	1	38	-1.0	-37.05	305.59	-0.34	-37.39
O=C(CCCC1=N[N-]N=N1)NN1CCCNC1=O	REAL250004610775	0	32	-1.0	-58.31	273.73	-0.12	-58.43
O=C(CCCC1=NN=N[N-]1)NN1CCCNC1=O	REAL250004610775	1	32	-1.0	-58.32	273.79	-0.10	-58.42
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=NC=C21	REAL250004610777	0	32	-1.0	-47.21	268.48	3.53	-43.68
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=NC=C21	REAL250004610777	1	32	-1.0	-47.21	268.54	3.55	-43.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=CC=NC=C21	REAL250004610778	0	32	-1.0	-38.90	279.32	3.97	-34.93
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=CC=NC=C21	REAL250004610778	1	32	-1.0	-38.92	279.39	3.98	-34.94
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1C1CC1	REAL250004610779	0	38	-1.0	-51.17	323.99	3.81	-47.36
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1C1CC1	REAL250004610779	1	38	-1.0	-51.19	324.05	3.83	-47.36
CC(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004610780	0	40	-1.0	-51.31	336.49	3.36	-47.95
CC(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004610780	1	40	-1.0	-51.30	336.55	3.38	-47.92
CC1=CC(Cl)=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004610781	0	35	-1.0	-46.21	306.37	5.46	-40.75
CC1=CC(Cl)=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004610781	1	35	-1.0	-46.21	306.43	5.47	-40.74
CCOC(=O)CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610782	0	40	-1.0	-47.97	332.77	3.56	-44.41
CCOC(=O)CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610782	1	40	-1.0	-48.01	332.83	3.57	-44.44
CCCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004610783	0	34	-1.0	-45.06	301.92	3.66	-41.40
CCCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004610783	1	34	-1.0	-45.10	301.97	3.68	-41.42
CC(C)(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004610784	0	45	-1.0	-46.38	346.76	3.35	-43.03
CC(C)(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004610784	1	45	-1.0	-46.38	346.81	3.37	-43.01
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004610785	0	39	-1.0	-45.20	305.98	2.71	-42.49
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004610785	1	39	-1.0	-45.19	306.03	2.73	-42.46
CC(C)C(=O)NCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610786	0	41	-1.0	-54.53	337.92	2.42	-52.11
CC(C)C(=O)NCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610786	1	41	-1.0	-54.52	337.97	2.44	-52.08
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NO1	REAL250004610787	0	33	-1.0	-63.89	285.39	4.97	-58.92
CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NO1	REAL250004610787	1	33	-1.0	-63.69	285.49	4.99	-58.70
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL250004610788	0	30	-1.0	-40.69	271.61	1.86	-38.83
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL250004610788	1	30	-1.0	-40.66	271.68	1.86	-38.80
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CN1	REAL250004610789	0	36	-1.0	-53.70	306.33	5.13	-48.57
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CN1	REAL250004610789	1	36	-1.0	-53.46	306.43	5.15	-48.31
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN1	REAL250004610790	0	33	-1.0	-35.79	292.81	1.99	-33.80
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN1	REAL250004610790	1	33	-1.0	-35.79	292.88	2.00	-33.79
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CNN=C2)=C1	REAL250004610791	0	36	-1.0	-51.69	310.44	3.33	-48.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CNN=C2)=C1	REAL250004610791	1	36	-1.0	-51.69	310.50	3.35	-48.34
O=C(CCCC1=N[N-]N=N1)NC1CCC(F)(F)CC1	REAL250004610792	0	35	-1.0	-46.61	292.54	3.28	-43.33
O=C(CCCC1=NN=N[N-]1)NC1CCC(F)(F)CC1	REAL250004610792	1	35	-1.0	-46.65	292.59	3.29	-43.36
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004610793	0	39	-1.0	-46.36	307.79	2.02	-44.34
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004610793	1	39	-1.0	-46.33	307.85	2.03	-44.30
CC(C)C(O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610794	0	44	-1.0	-48.74	327.39	1.69	-47.05
CC(C)C(O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610794	1	44	-1.0	-48.81	327.45	1.71	-47.10
O=C(CCCC1=N[N-]N=N1)NC1C2CCOC2C12CCC2	REAL250004610795	0	41	-1.0	-45.50	322.28	4.15	-41.35
O=C(CCCC1=NN=N[N-]1)NC1C2CCOC2C12CCC2	REAL250004610795	1	41	-1.0	-45.48	322.33	4.16	-41.32
CC(C)(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610796	0	35	-1.0	-54.97	287.08	1.45	-53.52
CC(C)(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610796	1	35	-1.0	-54.75	287.15	1.47	-53.28
CC(C)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610797	0	32	-1.0	-36.35	272.93	-1.65	-38.00
CC(C)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610797	1	32	-1.0	-36.34	273.00	-1.64	-37.98
CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004610799	0	33	-1.0	-47.58	284.75	1.29	-46.29
CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004610799	1	33	-1.0	-47.59	284.80	1.31	-46.28
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004610800	0	33	-1.0	-37.01	295.34	1.08	-35.93
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004610800	1	33	-1.0	-37.03	295.40	1.09	-35.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@@H]1CO	REAL250004610801	0	36	-1.0	-53.58	291.08	2.82	-50.76
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@@H]1CO	REAL250004610801	1	36	-1.0	-54.37	290.82	2.86	-51.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]1CO	REAL250004610802	0	33	-1.0	-39.46	275.84	2.12	-37.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]1CO	REAL250004610802	1	33	-1.0	-39.48	275.91	2.15	-37.33
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCCC1	REAL250004610803	0	36	-1.0	-46.66	288.51	-0.23	-46.89
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCCC1	REAL250004610803	1	36	-1.0	-46.68	288.57	-0.22	-46.90
O=C(NC1(CO)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610804	0	36	-1.0	-37.09	299.23	-0.45	-37.54
O=C(NC1(CO)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610804	1	36	-1.0	-37.06	299.30	-0.45	-37.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1O	REAL250004610805	0	30	-1.0	-45.74	279.26	1.15	-44.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1O	REAL250004610805	1	30	-1.0	-45.78	279.32	1.16	-44.62
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC=C1O	REAL250004610806	0	30	-1.0	-49.38	268.93	0.69	-48.69
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC=C1O	REAL250004610806	1	30	-1.0	-49.44	268.98	0.70	-48.74
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O=C(NN1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610807	1	37	-1.0	-54.10	302.29	5.28	-48.82
O=C(NN1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610808	0	34	-1.0	-36.01	288.41	2.19	-33.82
O=C(NN1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610808	1	34	-1.0	-35.96	288.48	2.20	-33.76
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H]1CO	REAL250004610809	0	36	-1.0	-53.66	291.31	2.84	-50.82
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@H]1CO	REAL250004610809	1	36	-1.0	-53.48	291.41	2.85	-50.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H]1CO	REAL250004610810	0	33	-1.0	-39.49	275.85	2.12	-37.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H]1CO	REAL250004610810	1	33	-1.0	-39.45	275.92	2.13	-37.32
CCC(C)(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610811	0	38	-1.0	-55.30	303.76	2.35	-52.95
CCC(C)(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610811	1	38	-1.0	-55.10	303.83	2.37	-52.73
CCC(C)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610812	0	35	-1.0	-36.79	288.09	-1.13	-37.92
CCC(C)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610812	1	35	-1.0	-36.81	288.16	-1.12	-37.93
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CO)C1	REAL250004610813	0	36	-1.0	-38.71	290.41	2.65	-36.06
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CO)C1	REAL250004610813	1	36	-1.0	-39.43	292.33	2.64	-36.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CO)C1	REAL250004610814	0	33	-1.0	-38.86	282.18	0.30	-38.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CO)C1	REAL250004610814	1	33	-1.0	-38.83	282.25	0.30	-38.53
O=C(CCCC1=N[N-]N=N1)N1CCCC1CCCO	REAL250004610815	0	39	-1.0	-49.42	313.84	1.66	-47.76
O=C(CCCC1=NN=N[N-]1)N1CCCC1CCCO	REAL250004610815	1	39	-1.0	-49.45	313.90	1.68	-47.77
CC(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004610816	0	38	-1.0	-46.01	309.34	0.29	-45.72
CC(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004610816	1	38	-1.0	-46.05	309.40	0.30	-45.75
CC(C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610817	0	38	-1.0	-36.46	319.99	0.09	-36.37
CC(C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610817	1	38	-1.0	-36.43	320.06	0.12	-36.31
CC1=CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004610818	0	36	-1.0	-53.34	291.20	6.68	-46.66
CC1=CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004610818	1	36	-1.0	-53.56	291.38	6.74	-46.82
CC1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004610819	0	33	-1.0	-35.03	277.26	4.43	-30.60
CC1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004610819	1	33	-1.0	-35.04	277.33	4.44	-30.60
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004610820	0	36	-1.0	-50.81	292.95	0.87	-49.94
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004610820	1	36	-1.0	-50.82	293.01	0.88	-49.94
CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1O	REAL250004610821	0	36	-1.0	-36.98	300.43	1.09	-35.89
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1O	REAL250004610821	1	36	-1.0	-36.94	300.50	1.09	-35.85
N#CC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004610822	0	34	-1.0	-49.48	294.37	5.70	-43.78
N#CC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004610822	1	34	-1.0	-49.48	294.43	5.72	-43.76
O=C(CCCC1=N[N-]N=N1)NC1=C(C2CC2)N=CS1	REAL250004610823	0	32	-1.0	-46.77	288.57	2.92	-43.85
O=C(CCCC1=NN=N[N-]1)NC1=C(C2CC2)N=CS1	REAL250004610823	1	32	-1.0	-46.77	288.62	2.93	-43.84
O=C(CCCC1=N[N-]N=N1)NCCC(=O)N1CCCCC1	REAL250004610824	0	42	-1.0	-56.90	337.99	2.76	-54.14
O=C(CCCC1=NN=N[N-]1)NCCC(=O)N1CCCCC1	REAL250004610824	1	42	-1.0	-57.01	338.05	2.77	-54.24
O=C(CCCC1=N[N-]N=N1)N1CCOCC12CCCC2	REAL250004610825	0	40	-1.0	-44.91	299.69	3.48	-41.43
O=C(CCCC1=NN=N[N-]1)N1CCOCC12CCCC2	REAL250004610825	1	40	-1.0	-44.89	299.75	3.50	-41.39
CC(C)C1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004610826	0	40	-1.0	-48.32	335.40	2.77	-45.55
CC(C)C1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004610826	1	40	-1.0	-48.30	335.46	2.78	-45.52
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004610827	0	35	-1.0	-48.91	307.41	4.46	-44.45
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004610827	1	35	-1.0	-48.93	307.47	4.47	-44.46
CNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004610828	0	41	-1.0	-46.93	330.50	1.37	-45.56
CNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004610828	1	41	-1.0	-46.94	330.56	1.38	-45.56
CCCC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610829	0	39	-1.0	-50.12	304.41	1.57	-48.55
CCCC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004610829	1	39	-1.0	-50.11	304.46	1.59	-48.52
COCC(O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004610830	0	36	-1.0	-52.03	306.10	-1.99	-54.02
COCC(O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004610830	1	36	-1.0	-52.02	306.16	-1.98	-54.00
COCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610831	0	36	-1.0	-38.86	316.70	-2.20	-41.06
COCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610831	1	36	-1.0	-38.87	316.76	-2.19	-41.06
CN1C=CN=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004610832	0	39	-1.0	-53.41	322.97	4.71	-48.70
CN1C=CN=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004610832	1	39	-1.0	-53.39	323.03	4.72	-48.67
CN(CCCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004610833	0	41	-1.0	-49.46	340.17	7.15	-42.31
CN(CCCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004610833	1	41	-1.0	-49.50	340.23	7.17	-42.33
CC(C)(C)C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610834	0	42	-1.0	-46.42	323.42	5.81	-40.61
CC(C)(C)C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610834	1	42	-1.0	-46.42	323.48	5.82	-40.60
CC(C)CSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610835	0	38	-1.0	-48.03	325.68	3.94	-44.09
CC(C)CSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610835	1	38	-1.0	-48.04	325.73	3.96	-44.08
C=CCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610836	0	36	-1.0	-46.90	308.94	1.88	-45.02
C=CCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610836	1	36	-1.0	-46.90	308.99	1.90	-45.00
C=CCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610837	0	36	-1.0	-36.65	319.53	1.68	-34.97
C=CCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610837	1	36	-1.0	-36.62	319.60	1.69	-34.93
CC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610838	0	44	-1.0	-45.88	335.15	4.77	-41.11
CC1(C)CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610838	1	44	-1.0	-45.90	335.20	4.78	-41.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OCCO2	REAL250004610839	0	35	-1.0	-48.22	295.91	2.64	-45.58
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OCCO2	REAL250004610839	1	35	-1.0	-48.24	295.97	2.66	-45.58
CCS(=O)(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004610840	0	37	-1.0	-56.64	322.37	1.00	-55.64
CCS(=O)(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004610840	1	37	-1.0	-56.69	322.43	1.01	-55.68
CC(CO)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610841	0	38	-1.0	-48.11	311.92	0.00	-48.11
CC(CO)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610841	1	38	-1.0	-48.15	311.98	0.02	-48.13
CC(CO)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610842	0	38	-1.0	-37.09	322.52	-0.21	-37.30
CC(CO)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610842	1	38	-1.0	-37.08	322.59	-0.19	-37.27
O=C(CCCC1=NN=N[N-]1)NC1=CN=CC2=CC=CC=C21	REAL250004610843	0	34	-1.0	-52.79	291.87	3.97	-48.82
O=C(CCCC1=N[N-]N=N1)NC1=CN=CC2=CC=CC=C21	REAL250004610843	1	34	-1.0	-52.74	291.81	3.95	-48.79
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)CC1CCC1	REAL250004610844	0	38	-1.0	-51.08	310.70	5.66	-45.42
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)CC1CCC1	REAL250004610844	1	38	-1.0	-51.12	310.76	5.68	-45.44
O=C(CCCC1=N[N-]N=N1)N1CC=C(C(F)(F)F)CC1	REAL250004610845	0	33	-1.0	-47.86	287.19	4.53	-43.33
O=C(CCCC1=NN=N[N-]1)N1CC=C(C(F)(F)F)CC1	REAL250004610845	1	33	-1.0	-47.84	287.24	4.54	-43.30
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL250004610846	0	42	-1.0	-46.98	331.56	6.87	-40.11
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL250004610846	1	42	-1.0	-46.95	331.62	6.89	-40.06
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004610847	0	38	-1.0	-53.37	311.83	6.37	-47.00
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004610847	1	38	-1.0	-53.22	311.93	6.38	-46.84
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004610848	0	35	-1.0	-35.20	298.38	3.13	-32.07
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004610848	1	35	-1.0	-35.18	298.45	3.15	-32.03
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=CC=CC=C1	REAL250004610849	0	42	-1.0	-46.57	327.14	6.96	-39.61
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=CC=CC=C1	REAL250004610849	1	42	-1.0	-46.56	327.20	6.97	-39.59
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004610850	0	37	-1.0	-46.57	301.14	-0.57	-47.14
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004610850	1	37	-1.0	-46.54	301.19	-0.56	-47.10
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004610851	0	40	-1.0	-50.18	337.33	4.00	-46.18
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004610851	1	40	-1.0	-50.24	337.39	4.01	-46.23
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CNC(=O)C2)C1	REAL250004610852	0	40	-1.0	-54.45	315.54	1.72	-52.73
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CNC(=O)C2)C1	REAL250004610852	1	40	-1.0	-54.44	315.60	1.74	-52.70
O=C(NCCC1=CC=CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610853	0	35	-1.0	-55.97	305.71	5.25	-50.72
O=C(NCCC1=CC=CO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610853	1	35	-1.0	-55.79	305.81	5.29	-50.50
O=C(NCCC1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610854	0	32	-1.0	-37.54	291.93	2.15	-35.39
O=C(NCCC1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610854	1	32	-1.0	-37.49	292.00	2.17	-35.32
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=C1C=CS2	REAL250004610855	0	36	-1.0	-48.35	305.08	4.28	-44.07
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=C1C=CS2	REAL250004610855	1	36	-1.0	-48.39	305.13	4.29	-44.10
CCN(CC1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004610856	0	38	-1.0	-54.04	306.97	7.47	-46.57
CCN(CC1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004610856	1	38	-1.0	-52.46	307.57	7.49	-44.97
CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610857	0	35	-1.0	-35.62	295.19	5.77	-29.85
CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610857	1	35	-1.0	-35.60	295.26	5.78	-29.82
CC1=CC=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)NC2=C1	REAL250004610858	0	39	-1.0	-43.27	316.24	5.28	-37.99
CC1=CC=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)NC2=C1	REAL250004610858	1	39	-1.0	-43.25	316.30	5.30	-37.95
CC(CN(C)C(=O)CCNS(C)(=O)=O)C1=N[N-]N=N1	REAL250004610859	0	36	-1.0	-53.44	308.95	-1.75	-55.19
CC(CN(C)C(=O)CCNS(C)(=O)=O)C1=NN=N[N-]1	REAL250004610859	1	36	-1.0	-53.45	309.01	-1.73	-55.18
CC1=NNC(C)=C1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610860	0	41	-1.0	-48.01	332.36	3.47	-44.54
CC1=NNC(C)=C1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610860	1	41	-1.0	-48.03	332.30	3.45	-44.58
CC(CN(C)C(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004610861	0	39	-1.0	-44.40	309.51	5.93	-38.47
CC(CN(C)C(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004610861	1	39	-1.0	-44.38	309.57	5.95	-38.43
CC(CN(C)C(=O)CCC1=CC=CS1)C1=N[N-]N=N1	REAL250004610862	0	35	-1.0	-45.75	302.05	5.01	-40.74
CC(CN(C)C(=O)CCC1=CC=CS1)C1=NN=N[N-]1	REAL250004610862	1	35	-1.0	-45.72	302.11	5.03	-40.69
CC(CN(C)C(=O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610863	0	39	-1.0	-52.02	324.90	5.52	-46.50
CC(CN(C)C(=O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610863	1	39	-1.0	-52.03	324.96	5.54	-46.49
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004610864	0	31	-1.0	-41.92	262.84	2.82	-39.10
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004610864	1	31	-1.0	-41.96	262.90	2.83	-39.13
CC(CN(C)C(=O)CCC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004610865	0	38	-1.0	-47.58	317.39	5.96	-41.62
CC(CN(C)C(=O)CCC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004610865	1	38	-1.0	-47.59	317.44	5.97	-41.62
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004610866	0	39	-1.0	-44.35	312.63	5.86	-38.49
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004610866	1	39	-1.0	-44.37	312.69	5.88	-38.49
CC(CN(C)C(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004610867	0	32	-1.0	-44.71	270.33	4.12	-40.59
CC(CN(C)C(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004610867	1	32	-1.0	-44.74	270.38	4.14	-40.60
CC(CN(C)C(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004610868	0	38	-1.0	-50.85	308.87	6.32	-44.53
CC(CN(C)C(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004610868	1	38	-1.0	-50.82	308.92	6.33	-44.49
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610869	0	35	-1.0	-48.21	283.81	4.72	-43.49
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610869	1	35	-1.0	-48.23	283.87	4.74	-43.49
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])O1)C1=N[N-]N=N1	REAL250004610870	0	31	-1.0	-41.18	277.99	3.15	-38.03
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])O1)C1=NN=N[N-]1	REAL250004610870	1	31	-1.0	-41.20	278.05	3.16	-38.04
CC(CN(C)C(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004610871	0	32	-1.0	-49.43	279.38	4.58	-44.85
CC(CN(C)C(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004610871	1	32	-1.0	-49.45	279.43	4.60	-44.85
CC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004610872	0	36	-1.0	-47.06	304.14	4.61	-42.45
CC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004610872	1	36	-1.0	-47.06	304.20	4.62	-42.44
CC(CN(C)C(=O)CNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL250004610873	0	36	-1.0	-47.43	309.00	0.88	-46.55
CC(CN(C)C(=O)CNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL250004610873	1	36	-1.0	-47.41	309.06	0.90	-46.51
CC(CN(C)C(=O)C1CC2C=CC1C2)C1=N[N-]N=N1	REAL250004610874	0	37	-1.0	-42.63	284.70	4.72	-37.91
CC(CN(C)C(=O)C1CC2C=CC1C2)C1=NN=N[N-]1	REAL250004610874	1	37	-1.0	-42.66	284.76	4.73	-37.93
CC1=CC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610875	0	38	-1.0	-47.87	307.20	5.60	-42.27
CC1=CC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610875	1	38	-1.0	-47.89	307.25	5.61	-42.28
CC(CN(C)C(=O)C1=COCCO1)C1=N[N-]N=N1	REAL250004610876	0	32	-1.0	-42.10	261.67	1.37	-40.73
CC(CN(C)C(=O)C1=COCCO1)C1=NN=N[N-]1	REAL250004610876	1	32	-1.0	-42.12	261.73	1.38	-40.74
CC(CN(C)C(=O)C1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004610877	0	32	-1.0	-46.71	285.83	4.65	-42.06
CC(CN(C)C(=O)C1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004610877	1	32	-1.0	-46.71	285.89	4.67	-42.04
CC(CN(C)C(=O)C1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004610878	0	32	-1.0	-48.75	276.19	1.22	-47.53
CC(CN(C)C(=O)C1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004610878	1	32	-1.0	-48.73	276.24	1.24	-47.49
CC(CN(C)C(=O)CSC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004610879	0	35	-1.0	-49.27	304.13	3.84	-45.43
CC(CN(C)C(=O)CSC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004610879	1	35	-1.0	-49.31	304.07	3.83	-45.48
CC1=CC=CC(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610880	0	39	-1.0	-51.74	320.74	5.70	-46.04
CC1=CC=CC(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610880	1	39	-1.0	-51.77	320.80	5.72	-46.05
CC1=NOC(C)=C1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610881	0	40	-1.0	-47.16	328.95	4.68	-42.48
CC1=NOC(C)=C1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610881	1	40	-1.0	-47.10	329.01	4.70	-42.40
CC(CN(C)C(=O)CN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004610882	0	35	-1.0	-58.06	294.59	3.68	-54.38
CC(CN(C)C(=O)CN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004610882	1	35	-1.0	-58.09	294.65	3.69	-54.40
CC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610883	0	39	-1.0	-47.67	320.91	6.29	-41.38
CC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610883	1	39	-1.0	-47.73	320.97	6.30	-41.43
COCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610884	0	39	-1.0	-44.45	318.35	3.81	-40.64
COCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610884	1	39	-1.0	-44.42	318.41	3.82	-40.60
CC(CN(C)C(=O)CC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004610885	0	42	-1.0	-48.96	335.97	7.02	-41.94
CC(CN(C)C(=O)CC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004610885	1	42	-1.0	-48.94	336.03	7.04	-41.90
CC(CN(C)C(=O)C1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004610886	0	31	-1.0	-47.45	273.81	2.70	-44.75
CC(CN(C)C(=O)C1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004610886	1	31	-1.0	-47.45	273.75	2.69	-44.76
CC(CN(C)C(=O)CC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610887	0	41	-1.0	-46.06	325.26	6.36	-39.70
CC(CN(C)C(=O)CC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610887	1	41	-1.0	-46.06	325.32	6.37	-39.69
CSC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610888	0	36	-1.0	-42.82	303.37	5.09	-37.73
CSC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610888	1	36	-1.0	-42.80	303.43	5.11	-37.69
CC(CN(C)C(=O)C1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004610889	0	36	-1.0	-46.34	297.81	0.86	-45.48
CC(CN(C)C(=O)C1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004610889	1	36	-1.0	-46.33	297.87	0.88	-45.45
CC(CN(C)C(=O)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004610890	0	35	-1.0	-49.96	295.84	5.15	-44.81
CC(CN(C)C(=O)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004610890	1	35	-1.0	-49.90	295.90	5.17	-44.73
CC1=CC=CC=C1OCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610891	0	39	-1.0	-51.22	319.41	5.74	-45.48
CC1=CC=CC=C1OCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610891	1	39	-1.0	-51.20	319.47	5.75	-45.45
CC(CN(C)C(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610892	0	38	-1.0	-46.18	311.82	5.92	-40.26
CC(CN(C)C(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610892	1	38	-1.0	-46.16	311.88	5.94	-40.22
CC(CN(C)C(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004610893	0	38	-1.0	-46.51	286.68	4.39	-42.12
CC(CN(C)C(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004610893	1	38	-1.0	-46.53	286.74	4.40	-42.13
CC(CN(C)C(=O)CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004610894	0	39	-1.0	-51.50	322.33	5.17	-46.33
CC(CN(C)C(=O)CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004610894	1	39	-1.0	-51.48	322.39	5.19	-46.29
CC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610895	0	35	-1.0	-57.47	290.91	0.44	-57.03
CC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610895	1	35	-1.0	-57.46	290.97	0.46	-57.00
CC(CN(C)C(=O)CN1CCCCCC1=O)C1=N[N-]N=N1	REAL250004610896	0	42	-1.0	-54.44	322.34	4.11	-50.33
CC(CN(C)C(=O)CN1CCCCCC1=O)C1=NN=N[N-]1	REAL250004610896	1	42	-1.0	-54.41	322.40	4.12	-50.29
CCC1=C(C)SC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610897	0	38	-1.0	-43.05	313.43	5.01	-38.04
CCC1=C(C)SC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610897	1	38	-1.0	-43.04	313.49	5.03	-38.01
CC(=O)NC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004610898	0	41	-1.0	-43.83	315.37	1.70	-42.13
CC(=O)NC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004610898	1	41	-1.0	-43.80	315.43	1.73	-42.07
CSCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004610899	0	36	-1.0	-42.63	313.74	4.57	-38.06
CSCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004610899	1	36	-1.0	-42.65	313.79	4.58	-38.07
CC(CN(C)C(=O)CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610900	0	36	-1.0	-49.01	308.95	5.61	-43.40
CC(CN(C)C(=O)CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610900	1	36	-1.0	-49.04	309.00	5.62	-43.42
COC1=CC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610901	0	39	-1.0	-49.36	318.74	4.47	-44.89
COC1=CC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610901	1	39	-1.0	-49.35	318.80	4.48	-44.87
CC(CN(C)C(=O)CN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL250004610902	0	34	-1.0	-55.34	290.80	-0.40	-55.74
CC(CN(C)C(=O)CN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL250004610902	1	34	-1.0	-55.32	290.86	-0.38	-55.70
CC(CN(C)C(=O)CCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004610903	0	38	-1.0	-48.95	323.55	5.79	-43.16
CC(CN(C)C(=O)CCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004610903	1	38	-1.0	-49.02	323.61	5.81	-43.21
CC(CN(C)C(=O)C1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004610904	0	36	-1.0	-45.60	296.09	1.40	-44.20
CC(CN(C)C(=O)C1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004610904	1	36	-1.0	-45.60	296.15	1.42	-44.18
CC(CN(C)C(=O)C1=CC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004610905	0	36	-1.0	-48.30	300.14	2.52	-45.78
CC(CN(C)C(=O)C1=CC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004610905	1	36	-1.0	-48.30	300.09	2.50	-45.80
CC(CN(C)C(=O)COC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004610906	0	36	-1.0	-56.49	305.57	5.10	-51.39
CC(CN(C)C(=O)COC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004610906	1	36	-1.0	-56.48	305.63	5.11	-51.37
CC1=CC=CC=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610907	0	39	-1.0	-47.63	317.07	6.14	-41.49
CC1=CC=CC=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610907	1	39	-1.0	-47.65	317.12	6.16	-41.49
CC1=CC=CC(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610908	0	39	-1.0	-47.79	320.92	6.28	-41.51
CC1=CC=CC(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610908	1	39	-1.0	-47.79	320.97	6.29	-41.50
CC(CN(C)C(=O)C=CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004610909	0	37	-1.0	-49.55	320.26	6.01	-43.54
CC(CN(C)C(=O)C=CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004610909	1	37	-1.0	-49.53	320.32	6.03	-43.50
CC(CN(C)C(=O)CN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004610910	0	35	-1.0	-54.78	296.14	2.12	-52.66
CC(CN(C)C(=O)CN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004610910	1	35	-1.0	-54.77	296.19	2.14	-52.63
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)N1C	REAL250004610911	0	39	-1.0	-45.83	307.92	4.68	-41.15
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)N1C	REAL250004610911	1	39	-1.0	-45.83	307.98	4.70	-41.13
CC(CN(C)C(=O)C1CCN(C(N)=O)CC1)C1=N[N-]N=N1	REAL250004610912	0	41	-1.0	-53.00	314.27	0.63	-52.37
CC(CN(C)C(=O)C1CCN(C(N)=O)CC1)C1=NN=N[N-]1	REAL250004610912	1	41	-1.0	-52.96	314.32	0.65	-52.31
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C	REAL250004610913	0	41	-1.0	-48.47	328.83	6.32	-42.15
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C	REAL250004610913	1	41	-1.0	-48.47	328.89	6.33	-42.14
CC1=NC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004610914	0	34	-1.0	-52.42	295.96	2.97	-49.45
CC1=NC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004610914	1	34	-1.0	-52.43	296.02	2.99	-49.44
CC(CN(C)C(=O)CSC(C)(C)C)C1=N[N-]N=N1	REAL250004610915	0	38	-1.0	-48.71	309.81	4.59	-44.12
CC(CN(C)C(=O)CSC(C)(C)C)C1=NN=N[N-]1	REAL250004610915	1	38	-1.0	-48.65	309.87	4.61	-44.04
CC(CN(C)C(=O)COC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004610916	0	36	-1.0	-50.68	305.75	5.09	-45.59
CC(CN(C)C(=O)COC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004610916	1	36	-1.0	-50.68	305.81	5.11	-45.57
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004610917	0	31	-1.0	-40.75	282.29	3.80	-36.95
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004610917	1	31	-1.0	-40.80	282.35	3.82	-36.98
CC(CN(C)C(=O)CCC1NC(=O)NC1=O)C1=N[N-]N=N1	REAL250004610918	0	37	-1.0	-55.61	309.77	-1.64	-57.25
CC(CN(C)C(=O)CCC1NC(=O)NC1=O)C1=NN=N[N-]1	REAL250004610918	1	37	-1.0	-55.61	309.83	-1.62	-57.23
CC(=O)N1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004610919	0	42	-1.0	-52.14	322.94	3.22	-48.92
CC(=O)N1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004610919	1	42	-1.0	-52.18	323.00	3.24	-48.94
CC1=CC=C(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610920	0	39	-1.0	-51.37	320.75	5.71	-45.66
CC1=CC=C(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610920	1	39	-1.0	-51.44	320.81	5.73	-45.71
CC(CN(C)C(=O)C1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004610921	0	34	-1.0	-41.75	285.41	1.80	-39.95
CC(CN(C)C(=O)C1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004610921	1	34	-1.0	-41.75	285.47	1.81	-39.94
CSC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610922	0	36	-1.0	-51.07	302.75	5.06	-46.01
CSC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610922	1	36	-1.0	-51.06	302.81	5.07	-45.99
CC(CN(C)C(=O)C1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004610923	0	37	-1.0	-52.88	305.93	4.67	-48.21
CC(CN(C)C(=O)C1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004610923	1	37	-1.0	-52.91	305.88	4.65	-48.26
CC(CN(C)C(=O)C(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610924	0	39	-1.0	-51.60	311.07	5.35	-46.25
CC(CN(C)C(=O)C(C)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610924	1	39	-1.0	-51.59	311.12	5.36	-46.23
CC(CN(C)C(=O)C1=CC=[N+]([O-])C=C1)C1=N[N-]N=N1	REAL250004610925	0	32	-1.0	-50.65	269.95	2.64	-48.01
CC(CN(C)C(=O)C1=CC=[N+]([O-])C=C1)C1=NN=N[N-]1	REAL250004610925	1	32	-1.0	-50.66	270.00	2.65	-48.01
COC1=CC=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610926	0	39	-1.0	-49.94	319.93	4.41	-45.53
COC1=CC=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610926	1	39	-1.0	-49.94	319.99	4.43	-45.51
CC(CN(C)C(=O)CCC1CCCCC1)C1=N[N-]N=N1	REAL250004610927	0	44	-1.0	-46.60	332.60	6.09	-40.51
CC(CN(C)C(=O)CCC1CCCCC1)C1=NN=N[N-]1	REAL250004610927	1	44	-1.0	-46.61	332.66	6.11	-40.50
CC(CN(C)C(=O)COC1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004610928	0	37	-1.0	-54.39	310.10	2.72	-51.67
CC(CN(C)C(=O)COC1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004610928	1	37	-1.0	-54.41	310.16	2.74	-51.67
CC(CN(C)C(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004610929	0	29	-1.0	-40.45	269.79	3.57	-36.88
CC(CN(C)C(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004610929	1	29	-1.0	-40.46	269.85	3.58	-36.88
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610930	0	41	-1.0	-43.01	323.44	5.99	-37.02
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610930	1	41	-1.0	-43.03	323.50	6.01	-37.02
CC(CN(C)C(=O)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004610931	0	35	-1.0	-48.12	304.27	5.52	-42.60
CC(CN(C)C(=O)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004610931	1	35	-1.0	-48.12	304.33	5.54	-42.58
CC(CN(C)C(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004610932	0	33	-1.0	-46.93	284.03	4.46	-42.47
CC(CN(C)C(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004610932	1	33	-1.0	-46.93	284.09	4.47	-42.46
CC(CN(C)C(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004610933	0	35	-1.0	-48.55	296.83	5.18	-43.37
CC(CN(C)C(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004610933	1	35	-1.0	-48.54	296.89	5.20	-43.34
CC(CN(C)C(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL250004610934	0	41	-1.0	-46.85	310.27	5.39	-41.46
CC(CN(C)C(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL250004610934	1	41	-1.0	-46.87	310.33	5.41	-41.46
CC(=O)NC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610935	0	35	-1.0	-45.61	283.43	0.33	-45.28
CC(=O)NC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610935	1	35	-1.0	-45.60	283.48	0.35	-45.25
CC(CN(C)C(=O)C(C)NC(N)=O)C1=N[N-]N=N1	REAL250004610936	0	34	-1.0	-46.33	276.66	-2.43	-48.76
CC(CN(C)C(=O)C(C)NC(N)=O)C1=NN=N[N-]1	REAL250004610936	1	34	-1.0	-46.28	276.71	-2.42	-48.70
CCOC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610937	0	39	-1.0	-44.27	314.13	4.28	-39.99
CCOC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610937	1	39	-1.0	-44.27	314.18	4.29	-39.98
CC(CN(C)C(=O)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004610938	0	35	-1.0	-42.11	294.34	4.92	-37.19
CC(CN(C)C(=O)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004610938	1	35	-1.0	-42.15	294.40	4.93	-37.22
CC(CN(C)C(=O)C1=NNC(=O)C=C1)C1=N[N-]N=N1	REAL250004610939	0	31	-1.0	-43.76	265.42	0.21	-43.55
CC(CN(C)C(=O)C1=NNC(=O)C=C1)C1=NN=N[N-]1	REAL250004610939	1	31	-1.0	-43.74	265.48	0.23	-43.51
CC(CN(C)C(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004610940	0	35	-1.0	-48.30	296.79	5.17	-43.13
CC(CN(C)C(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004610940	1	35	-1.0	-48.29	296.85	5.19	-43.10
CC(CN(C)C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004610941	0	29	-1.0	-42.76	252.79	2.94	-39.82
CC(CN(C)C(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004610941	1	29	-1.0	-42.76	252.85	2.96	-39.80
CC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004610942	0	33	-1.0	-43.24	276.17	2.07	-41.17
CC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004610942	1	33	-1.0	-43.22	276.23	2.08	-41.14
CC(CN(C)C(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004610943	0	32	-1.0	-49.00	277.32	4.22	-44.78
CC(CN(C)C(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004610943	1	32	-1.0	-49.02	277.38	4.24	-44.78
CC(CN(C)C(=O)CC1=CSC=C1)C1=N[N-]N=N1	REAL250004610944	0	32	-1.0	-47.45	280.41	4.05	-43.40
CC(CN(C)C(=O)CC1=CSC=C1)C1=NN=N[N-]1	REAL250004610944	1	32	-1.0	-47.48	280.47	4.06	-43.42
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610945	0	35	-1.0	-44.09	284.23	4.71	-39.38
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610945	1	35	-1.0	-44.08	284.29	4.72	-39.36
CC(CN(C)C(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004610946	0	36	-1.0	-51.47	299.34	5.03	-46.44
CC(CN(C)C(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004610946	1	36	-1.0	-51.46	299.40	5.05	-46.41
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004610947	0	38	-1.0	-47.87	310.13	6.33	-41.54
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004610947	1	38	-1.0	-47.84	310.18	6.35	-41.49
COC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610948	0	36	-1.0	-51.66	293.76	3.99	-47.67
COC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610948	1	36	-1.0	-51.73	293.82	4.00	-47.73
CC(CN(C)C(=O)C1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004610949	0	37	-1.0	-46.69	306.71	5.49	-41.20
CC(CN(C)C(=O)C1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004610949	1	37	-1.0	-46.73	306.65	5.47	-41.26
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004610950	0	34	-1.0	-42.52	291.46	4.74	-37.78
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004610950	1	34	-1.0	-42.54	291.52	4.76	-37.78
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004610951	0	32	-1.0	-45.75	270.11	3.62	-42.13
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004610951	1	32	-1.0	-45.76	270.17	3.63	-42.13
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004610952	0	32	-1.0	-42.85	274.59	3.74	-39.11
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004610952	1	32	-1.0	-42.80	274.65	3.75	-39.05
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004610953	0	32	-1.0	-47.93	280.65	4.56	-43.37
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004610953	1	32	-1.0	-47.93	280.71	4.58	-43.35
CC(CN(C)C(=O)C=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004610954	0	33	-1.0	-47.24	282.10	3.81	-43.43
CC(CN(C)C(=O)C=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004610954	1	33	-1.0	-47.21	282.16	3.82	-43.39
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610955	0	36	-1.0	-43.49	292.72	3.38	-40.11
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610955	1	36	-1.0	-43.48	292.78	3.39	-40.09
CC(CN(C)C(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004610956	0	32	-1.0	-52.14	270.91	4.15	-47.99
CC(CN(C)C(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004610956	1	32	-1.0	-52.10	270.96	4.17	-47.93
CC(CN(C)C(=O)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004610957	0	33	-1.0	-50.64	271.29	-0.05	-50.69
CC(CN(C)C(=O)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004610957	1	33	-1.0	-50.61	271.34	-0.04	-50.65
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610958	0	38	-1.0	-43.25	306.17	5.51	-37.74
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610958	1	38	-1.0	-43.26	306.23	5.53	-37.73
CC(CN(C)C(=O)C1=NNC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004610959	0	35	-1.0	-48.86	292.77	3.35	-45.51
CC(CN(C)C(=O)C1=NNC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004610959	1	35	-1.0	-48.87	292.82	3.36	-45.51
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610960	0	36	-1.0	-50.48	293.40	3.35	-47.13
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610960	1	36	-1.0	-50.51	293.46	3.37	-47.14
COC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610961	0	39	-1.0	-49.44	319.88	4.40	-45.04
COC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610961	1	39	-1.0	-49.44	319.94	4.42	-45.02
CC(CN(C)C(=O)C1=CC=C[N+]([O-])=C1)C1=N[N-]N=N1	REAL250004610962	0	32	-1.0	-63.32	269.47	2.66	-60.66
CC(CN(C)C(=O)C1=CC=C[N+]([O-])=C1)C1=NN=N[N-]1	REAL250004610962	1	32	-1.0	-63.31	269.53	2.67	-60.64
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL250004610963	0	38	-1.0	-43.22	300.48	5.20	-38.02
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL250004610963	1	38	-1.0	-43.24	300.54	5.22	-38.02
CC(CN(C)C(=O)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004610964	0	35	-1.0	-49.55	288.44	2.72	-46.83
CC(CN(C)C(=O)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004610964	1	35	-1.0	-49.53	288.50	2.74	-46.79
CC(CN(C)C(=O)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004610965	0	31	-1.0	-41.05	274.66	2.60	-38.45
CC(CN(C)C(=O)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004610965	1	31	-1.0	-41.06	274.60	2.58	-38.48
CC(CN(C)C(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004610966	0	33	-1.0	-43.81	284.13	4.46	-39.35
CC(CN(C)C(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004610966	1	33	-1.0	-43.82	284.19	4.47	-39.35
CC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610967	0	35	-1.0	-43.42	279.09	4.55	-38.87
CC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610967	1	35	-1.0	-43.43	279.15	4.56	-38.87
CC(CN(C)C(=O)C1=CC=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL250004610968	0	40	-1.0	-45.11	315.65	4.49	-40.62
CC(CN(C)C(=O)C1=CC=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL250004610968	1	40	-1.0	-45.11	315.71	4.50	-40.61
CC(CN(C)C(=O)C1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL250004610969	0	40	-1.0	-45.33	315.14	4.47	-40.86
CC(CN(C)C(=O)C1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL250004610969	1	40	-1.0	-45.35	315.20	4.49	-40.86
CC1=CC=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610970	0	38	-1.0	-43.15	300.74	5.21	-37.94
CC1=CC=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610970	1	38	-1.0	-43.19	300.80	5.23	-37.96
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=C1	REAL250004610971	0	38	-1.0	-47.53	306.69	5.37	-42.16
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=C1	REAL250004610971	1	38	-1.0	-47.55	306.74	5.38	-42.17
CC(CN(C)C(=O)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004610972	0	35	-1.0	-47.67	307.11	5.62	-42.05
CC(CN(C)C(=O)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004610972	1	35	-1.0	-47.67	307.17	5.64	-42.03
CC(CN(C)C(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL250004610973	0	41	-1.0	-46.64	317.02	5.53	-41.11
CC(CN(C)C(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL250004610973	1	41	-1.0	-46.63	317.08	5.54	-41.09
CC(CN(C)C(=O)C1=CC=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004610974	0	31	-1.0	-41.98	276.65	3.73	-38.25
CC(CN(C)C(=O)C1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004610974	1	31	-1.0	-42.00	276.59	3.71	-38.29
CC(CN(C)C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004610975	0	32	-1.0	-41.79	269.70	4.13	-37.66
CC(CN(C)C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004610975	1	32	-1.0	-41.84	269.75	4.15	-37.69
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004610976	0	32	-1.0	-41.56	280.01	4.58	-36.98
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004610976	1	32	-1.0	-41.66	280.07	4.60	-37.06
CC(CN(C)C(=O)CC1=CC=CS1)C1=N[N-]N=N1	REAL250004610977	0	32	-1.0	-47.66	280.75	4.21	-43.45
CC(CN(C)C(=O)CC1=CC=CS1)C1=NN=N[N-]1	REAL250004610977	1	32	-1.0	-47.67	280.80	4.23	-43.44
CC1=NOC(C)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610978	0	37	-1.0	-51.65	307.55	3.87	-47.78
CC1=NOC(C)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610978	1	37	-1.0	-51.66	307.61	3.89	-47.77
CC(CN(C)C(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004610979	0	32	-1.0	-43.27	275.08	4.18	-39.09
CC(CN(C)C(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004610979	1	32	-1.0	-43.32	275.14	4.19	-39.13
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL250004610980	0	36	-1.0	-50.02	299.56	3.43	-46.59
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL250004610980	1	36	-1.0	-50.03	299.62	3.45	-46.58
CC(CN(C)C(=O)C1CCOCC1)C1=N[N-]N=N1	REAL250004610981	0	36	-1.0	-48.04	279.16	2.06	-45.98
CC(CN(C)C(=O)C1CCOCC1)C1=NN=N[N-]1	REAL250004610981	1	36	-1.0	-48.03	279.22	2.07	-45.96
CC(CN(C)C(=O)CCC1=CSC=C1)C1=N[N-]N=N1	REAL250004610982	0	35	-1.0	-45.67	301.81	4.85	-40.82
CC(CN(C)C(=O)CCC1=CSC=C1)C1=NN=N[N-]1	REAL250004610982	1	35	-1.0	-45.65	301.86	4.86	-40.79
CCC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610983	0	42	-1.0	-47.48	342.39	7.05	-40.43
CCC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610983	1	42	-1.0	-47.47	342.45	7.07	-40.40
CC(CN(C)C(=O)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004610984	0	39	-1.0	-55.20	319.74	5.82	-49.38
CC(CN(C)C(=O)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004610984	1	39	-1.0	-55.23	319.80	5.84	-49.39
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)S1	REAL250004610985	0	35	-1.0	-42.61	295.90	4.59	-38.02
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)S1	REAL250004610985	1	35	-1.0	-42.66	295.96	4.61	-38.05
CC(CN(C)C(=O)CCCCNC(N)=O)C1=N[N-]N=N1	REAL250004610986	0	40	-1.0	-57.04	327.14	-0.76	-57.80
CC(CN(C)C(=O)CCCCNC(N)=O)C1=NN=N[N-]1	REAL250004610986	1	40	-1.0	-57.05	327.20	-0.75	-57.80
COCC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004610987	0	39	-1.0	-45.84	318.20	3.80	-42.04
COCC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004610987	1	39	-1.0	-45.85	318.26	3.81	-42.04
CC(CN(C)C(=O)CCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004610988	0	38	-1.0	-46.00	318.24	5.99	-40.01
CC(CN(C)C(=O)CCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004610988	1	38	-1.0	-46.01	318.29	6.01	-40.00
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL250004610989	0	36	-1.0	-51.61	300.34	3.44	-48.17
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL250004610989	1	36	-1.0	-51.62	300.39	3.45	-48.17
CC(CN(C)C(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004610990	0	29	-1.0	-47.92	252.75	3.04	-44.88
CC(CN(C)C(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004610990	1	29	-1.0	-47.89	252.81	3.05	-44.84
CC(CN(C)C(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004610991	0	32	-1.0	-48.69	272.89	4.16	-44.53
CC(CN(C)C(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004610991	1	32	-1.0	-48.68	272.95	4.17	-44.51
CC(CN(C)C(=O)CCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004610992	0	37	-1.0	-47.30	306.72	4.15	-43.15
CC(CN(C)C(=O)CCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004610992	1	37	-1.0	-47.27	306.66	4.14	-43.13
CC(CN(C)C(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004610993	0	41	-1.0	-44.42	327.82	1.81	-42.61
CC(CN(C)C(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004610993	1	41	-1.0	-44.38	327.87	1.83	-42.55
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004610994	0	36	-1.0	-43.50	294.86	4.62	-38.88
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004610994	1	36	-1.0	-43.49	294.92	4.64	-38.85
CC(CN(C)C(=O)CN1CCCC1=O)C1=N[N-]N=N1	REAL250004610995	0	36	-1.0	-50.78	295.28	2.75	-48.03
CC(CN(C)C(=O)CN1CCCC1=O)C1=NN=N[N-]1	REAL250004610995	1	36	-1.0	-50.74	295.34	2.77	-47.97
CC(CN(C)C(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004610996	0	42	-1.0	-44.11	326.66	6.51	-37.60
CC(CN(C)C(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004610996	1	42	-1.0	-44.11	326.72	6.53	-37.58
COC1=CC=C(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004610997	0	39	-1.0	-47.23	315.93	4.36	-42.87
COC1=CC=C(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004610997	1	39	-1.0	-47.22	315.99	4.38	-42.84
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004610998	0	38	-1.0	-48.10	311.83	5.78	-42.32
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004610998	1	38	-1.0	-48.12	311.88	5.79	-42.33
CC(CN(C)C(=O)C1=CC=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004610999	0	37	-1.0	-48.49	303.00	4.44	-44.05
CC(CN(C)C(=O)C1=CC=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004610999	1	37	-1.0	-48.49	302.94	4.42	-44.07
CC(CN(C)C(=O)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004611000	0	34	-1.0	-60.64	289.59	5.59	-55.05
CC(CN(C)C(=O)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004611000	1	34	-1.0	-60.68	289.65	5.60	-55.08
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SN=N1	REAL250004611001	0	33	-1.0	-40.23	282.61	1.90	-38.33
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SN=N1	REAL250004611001	1	33	-1.0	-40.20	282.67	1.92	-38.28
CC(CN(C)C(=O)C1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004611002	0	35	-1.0	-49.11	293.69	5.52	-43.59
CC(CN(C)C(=O)C1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004611002	1	35	-1.0	-49.10	293.64	5.50	-43.60
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL250004611003	0	35	-1.0	-48.68	290.62	4.76	-43.92
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL250004611003	1	35	-1.0	-48.65	290.68	4.78	-43.87
CC(CN(C)C(=O)CN1CCSC1=O)C1=N[N-]N=N1	REAL250004611004	0	34	-1.0	-52.34	294.14	2.42	-49.92
CC(CN(C)C(=O)CN1CCSC1=O)C1=NN=N[N-]1	REAL250004611004	1	34	-1.0	-52.31	294.20	2.44	-49.87
CC(CN(C)C(=O)C1=CC2=C(CCC2)S1)C1=N[N-]N=N1	REAL250004611005	0	36	-1.0	-43.25	298.69	4.97	-38.28
CC(CN(C)C(=O)C1=CC2=C(CCC2)S1)C1=NN=N[N-]1	REAL250004611005	1	36	-1.0	-43.21	298.74	4.99	-38.22
CC(CN(C)C(=O)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004611006	0	36	-1.0	-46.37	301.75	3.53	-42.84
CC(CN(C)C(=O)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004611006	1	36	-1.0	-46.35	301.70	3.51	-42.84
CC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611007	0	36	-1.0	-57.32	296.60	3.58	-53.74
CC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611007	1	36	-1.0	-57.26	296.66	3.60	-53.66
CC1=CC(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611008	0	35	-1.0	-49.84	299.18	1.98	-47.86
CC1=CC(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611008	1	35	-1.0	-49.87	299.23	1.99	-47.88
CC(CN(C)C(=O)CN1C=CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004611009	0	35	-1.0	-58.41	299.33	0.92	-57.49
CC(CN(C)C(=O)CN1C=CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004611009	1	35	-1.0	-58.41	299.38	0.94	-57.47
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1C	REAL250004611010	0	39	-1.0	-48.31	311.92	4.09	-44.22
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1C	REAL250004611010	1	39	-1.0	-48.30	311.98	4.10	-44.20
CC1=NNC(C)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611011	0	38	-1.0	-51.40	310.96	2.67	-48.73
CC1=NNC(C)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611011	1	38	-1.0	-51.38	310.90	2.65	-48.73
CC1=NSC(N)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611012	0	33	-1.0	-44.63	289.64	0.39	-44.24
CC1=NSC(N)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611012	1	33	-1.0	-44.58	289.70	0.41	-44.17
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004611013	0	38	-1.0	-44.83	312.22	5.62	-39.21
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004611013	1	38	-1.0	-44.80	312.27	5.64	-39.16
CNC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=NS1	REAL250004611014	0	36	-1.0	-44.71	311.51	1.44	-43.27
CNC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=NS1	REAL250004611014	1	36	-1.0	-44.71	311.57	1.45	-43.26
CC(CN(C)C(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL250004611015	0	30	-1.0	-62.44	259.38	1.62	-60.82
CC(CN(C)C(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL250004611015	1	30	-1.0	-62.43	259.32	1.60	-60.83
CC(=O)N1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004611016	0	42	-1.0	-46.85	321.75	3.16	-43.69
CC(=O)N1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611016	1	42	-1.0	-46.87	321.81	3.17	-43.70
CC(CN(C)C(=O)C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004611017	0	35	-1.0	-53.24	287.80	-0.23	-53.47
CC(CN(C)C(=O)C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004611017	1	35	-1.0	-53.21	287.86	-0.22	-53.43
CC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611018	0	31	-1.0	-39.63	262.91	2.35	-37.28
CC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611018	1	31	-1.0	-39.63	262.97	2.37	-37.26
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611019	0	35	-1.0	-42.48	296.10	4.53	-37.95
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611019	1	35	-1.0	-42.52	296.16	4.54	-37.98
CC(CN(C)C(=O)C1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004611020	0	37	-1.0	-47.70	301.15	5.11	-42.59
CC(CN(C)C(=O)C1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004611020	1	37	-1.0	-47.69	301.20	5.12	-42.57
CC1=NOC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611021	0	34	-1.0	-41.56	289.39	3.22	-38.34
CC1=NOC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611021	1	34	-1.0	-41.55	289.45	3.23	-38.32
CCC1=NOC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611022	0	37	-1.0	-41.23	306.76	3.82	-37.41
CCC1=NOC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611022	1	37	-1.0	-41.22	306.82	3.84	-37.38
CC1=NOC(C(C)C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611023	0	40	-1.0	-40.88	331.12	4.60	-36.28
CC1=NOC(C(C)C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611023	1	40	-1.0	-40.93	331.17	4.61	-36.32
CC(CN(C)C(=O)CCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004611024	0	38	-1.0	-54.58	317.16	2.57	-52.01
CC(CN(C)C(=O)CCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004611024	1	38	-1.0	-54.61	317.22	2.58	-52.03
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611025	0	34	-1.0	-48.48	298.88	3.56	-44.92
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611025	1	34	-1.0	-48.50	298.94	3.58	-44.92
CC(CN(C)C(=O)CCN1CCSC1=O)C1=N[N-]N=N1	REAL250004611026	0	37	-1.0	-53.11	315.33	2.86	-50.25
CC(CN(C)C(=O)CCN1CCSC1=O)C1=NN=N[N-]1	REAL250004611026	1	37	-1.0	-53.06	315.39	2.87	-50.19
CC(CN(C)C(=O)CN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL250004611027	0	37	-1.0	-56.02	313.21	1.99	-54.03
CC(CN(C)C(=O)CN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL250004611027	1	37	-1.0	-56.02	313.27	2.01	-54.01
CC(CN(C)C(=O)CCNC(N)=O)C1=N[N-]N=N1	REAL250004611028	0	34	-1.0	-57.85	284.14	-2.35	-60.20
CC(CN(C)C(=O)CCNC(N)=O)C1=NN=N[N-]1	REAL250004611028	1	34	-1.0	-57.82	284.20	-2.33	-60.15
CC(CN(C)C(=O)CN1CSCC1=O)C1=N[N-]N=N1	REAL250004611029	0	34	-1.0	-51.39	294.72	2.44	-48.95
CC(CN(C)C(=O)CN1CSCC1=O)C1=NN=N[N-]1	REAL250004611029	1	34	-1.0	-51.43	294.78	2.45	-48.98
CCC1=C(C)C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611030	0	38	-1.0	-42.75	314.43	5.08	-37.67
CCC1=C(C)C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611030	1	38	-1.0	-42.72	314.49	5.09	-37.63
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SN=N1	REAL250004611031	0	30	-1.0	-43.38	261.77	1.18	-42.20
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SN=N1	REAL250004611031	1	30	-1.0	-43.38	261.82	1.19	-42.19
CC(CN(C)C(=O)C=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004611032	0	36	-1.0	-50.47	303.16	3.46	-47.01
CC(CN(C)C(=O)C=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004611032	1	36	-1.0	-50.49	303.22	3.48	-47.01
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=N[N-]N=N1	REAL250004611033	0	35	-1.0	-42.97	291.21	5.00	-37.97
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=NN=N[N-]1	REAL250004611033	1	35	-1.0	-42.95	291.27	5.01	-37.94
CC(CN(C)C(=O)C1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004611034	0	31	-1.0	-43.56	275.82	2.75	-40.81
CC(CN(C)C(=O)C1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004611034	1	31	-1.0	-43.57	275.76	2.73	-40.84
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611035	0	35	-1.0	-42.24	289.95	0.69	-41.55
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611035	1	35	-1.0	-42.25	289.89	0.67	-41.58
CC(CN(C)C(=O)C1=CC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL250004611036	0	34	-1.0	-48.81	283.93	1.32	-47.49
CC(CN(C)C(=O)C1=CC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL250004611036	1	34	-1.0	-48.81	283.99	1.34	-47.47
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1C	REAL250004611037	0	36	-1.0	-43.62	285.63	4.05	-39.57
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1C	REAL250004611037	1	36	-1.0	-43.66	285.69	4.06	-39.60
CC(CN(C)C(=O)C1CCCN(C(N)=O)C1)C1=N[N-]N=N1	REAL250004611038	0	41	-1.0	-46.83	316.13	0.66	-46.17
CC(CN(C)C(=O)C1CCCN(C(N)=O)C1)C1=NN=N[N-]1	REAL250004611038	1	41	-1.0	-46.84	316.18	0.68	-46.16
CC(CN(C)C(=O)C1=NN(C)C(=O)CC1)C1=N[N-]N=N1	REAL250004611039	0	36	-1.0	-43.26	295.56	1.89	-41.37
CC(CN(C)C(=O)C1=NN(C)C(=O)CC1)C1=NN=N[N-]1	REAL250004611039	1	36	-1.0	-43.25	295.62	1.90	-41.35
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004611040	0	32	-1.0	-48.82	287.63	4.68	-44.14
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004611040	1	32	-1.0	-48.79	287.69	4.69	-44.10
CC(CN(C)C(=O)CCC1=CC=CO1)C1=N[N-]N=N1	REAL250004611041	0	35	-1.0	-46.71	292.53	4.02	-42.69
CC(CN(C)C(=O)CCC1=CC=CO1)C1=NN=N[N-]1	REAL250004611041	1	35	-1.0	-46.68	292.59	4.04	-42.64
CC1=CC=CC2=NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN21	REAL250004611042	0	38	-1.0	-46.47	314.13	5.99	-40.48
CC1=CC=CC2=NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN21	REAL250004611042	1	38	-1.0	-46.46	314.08	5.98	-40.48
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004611043	0	32	-1.0	-48.55	283.21	4.61	-43.94
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004611043	1	32	-1.0	-48.55	283.27	4.62	-43.93
CC(CN(C)C(=O)C1=CC2=CC=CC=C2OC1)C1=N[N-]N=N1	REAL250004611044	0	38	-1.0	-44.68	308.74	4.57	-40.11
CC(CN(C)C(=O)C1=CC2=CC=CC=C2OC1)C1=NN=N[N-]1	REAL250004611044	1	38	-1.0	-44.64	308.80	4.58	-40.06
CC(CN(C)C(=O)C1=CC(Cl)=CN1)C1=N[N-]N=N1	REAL250004611045	0	30	-1.0	-44.33	265.16	2.99	-41.34
CC(CN(C)C(=O)C1=CC(Cl)=CN1)C1=NN=N[N-]1	REAL250004611045	1	30	-1.0	-44.32	265.22	3.01	-41.31
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CN1)C1=N[N-]N=N1	REAL250004611046	0	32	-1.0	-48.36	277.87	3.24	-45.12
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CN1)C1=NN=N[N-]1	REAL250004611046	1	32	-1.0	-48.40	277.93	3.25	-45.15
CC(CN(C)C(=O)C1(C#N)CCCC1)C1=N[N-]N=N1	REAL250004611047	0	36	-1.0	-41.39	283.78	3.61	-37.78
CC(CN(C)C(=O)C1(C#N)CCCC1)C1=NN=N[N-]1	REAL250004611047	1	36	-1.0	-41.43	283.84	3.62	-37.81
CC1=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004611048	0	38	-1.0	-43.59	315.69	4.61	-38.98
CC1=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004611048	1	38	-1.0	-43.62	315.75	4.63	-38.99
CC(CN(C)C(=O)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611049	0	39	-1.0	-46.84	320.29	4.74	-42.10
CC(CN(C)C(=O)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611049	1	39	-1.0	-46.84	320.35	4.76	-42.08
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004611050	0	38	-1.0	-43.51	296.19	5.09	-38.42
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004611050	1	38	-1.0	-43.52	296.25	5.11	-38.41
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C	REAL250004611051	0	38	-1.0	-48.31	300.74	5.26	-43.05
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C	REAL250004611051	1	38	-1.0	-48.32	300.80	5.28	-43.04
CC(CN(C)C(=O)CC1CC2CCC1C2)C1=N[N-]N=N1	REAL250004611052	0	42	-1.0	-43.67	314.88	5.69	-37.98
CC(CN(C)C(=O)CC1CC2CCC1C2)C1=NN=N[N-]1	REAL250004611052	1	42	-1.0	-43.71	314.94	5.70	-38.01
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004611053	0	39	-1.0	-48.22	332.68	6.32	-41.90
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004611053	1	39	-1.0	-48.19	332.74	6.33	-41.86
CC(CN(C)C(=O)CCCC1CCCCC1)C1=N[N-]N=N1	REAL250004611054	0	47	-1.0	-46.91	354.10	6.87	-40.04
CC(CN(C)C(=O)CCCC1CCCCC1)C1=NN=N[N-]1	REAL250004611054	1	47	-1.0	-46.94	354.16	6.88	-40.06
CC(CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004611055	0	34	-1.0	-48.74	291.33	4.74	-44.00
CC(CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004611055	1	34	-1.0	-48.73	291.39	4.76	-43.97
CCN1C(C)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004611056	0	42	-1.0	-49.26	327.77	5.58	-43.68
CCN1C(C)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004611056	1	42	-1.0	-49.32	327.82	5.60	-43.72
CC1=CC=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611057	0	41	-1.0	-46.33	333.23	6.59	-39.74
CC1=CC=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611057	1	41	-1.0	-46.29	333.29	6.60	-39.69
CC(C)=CC1C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1(C)C	REAL250004611058	0	45	-1.0	-47.68	345.08	6.48	-41.20
CC(C)=CC1C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1(C)C	REAL250004611058	1	45	-1.0	-47.65	345.13	6.50	-41.15
COCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611059	0	36	-1.0	-42.60	302.68	2.41	-40.19
COCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611059	1	36	-1.0	-42.60	302.74	2.42	-40.18
CC(CN(C)C(=O)C1=CC(Cl)=CN1C)C1=N[N-]N=N1	REAL250004611060	0	33	-1.0	-41.62	283.76	4.02	-37.60
CC(CN(C)C(=O)C1=CC(Cl)=CN1C)C1=NN=N[N-]1	REAL250004611060	1	33	-1.0	-41.64	283.81	4.04	-37.60
CC1=NNC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004611061	0	37	-1.0	-56.84	306.99	0.85	-55.99
CC1=NNC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004611061	1	37	-1.0	-56.87	307.05	0.87	-56.00
CC(CN(C)C(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004611062	0	32	-1.0	-40.64	276.82	4.16	-36.48
CC(CN(C)C(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004611062	1	32	-1.0	-40.68	276.88	4.18	-36.50
CC1=CC2=NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN2C=C1	REAL250004611063	0	38	-1.0	-48.56	315.06	6.16	-42.40
CC1=CC2=NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN2C=C1	REAL250004611063	1	38	-1.0	-48.60	315.12	6.17	-42.43
CC(=O)C1=CNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611064	0	35	-1.0	-55.11	291.58	2.97	-52.14
CC(=O)C1=CNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611064	1	35	-1.0	-55.07	291.63	2.98	-52.09
CC(CN(C)C(=O)CC1CCCC1)C1=N[N-]N=N1	REAL250004611065	0	38	-1.0	-46.90	293.61	4.75	-42.15
CC(CN(C)C(=O)CC1CCCC1)C1=NN=N[N-]1	REAL250004611065	1	38	-1.0	-46.92	293.67	4.76	-42.16
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004611066	0	35	-1.0	-42.90	283.23	3.76	-39.14
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004611066	1	35	-1.0	-42.91	283.29	3.77	-39.14
CC1=NN(C)C(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611067	0	38	-1.0	-48.27	313.61	3.10	-45.17
CC1=NN(C)C(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611067	1	38	-1.0	-48.25	313.66	3.12	-45.13
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=N[N-]N=N1	REAL250004611068	0	35	-1.0	-42.87	296.88	4.23	-38.64
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=NN=N[N-]1	REAL250004611068	1	35	-1.0	-42.87	296.93	4.24	-38.63
CC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611069	0	35	-1.0	-41.70	285.51	4.60	-37.10
CC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611069	1	35	-1.0	-41.72	285.56	4.62	-37.10
CCOC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611070	0	36	-1.0	-45.41	301.77	0.09	-45.32
CCOC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611070	1	36	-1.0	-45.41	301.83	0.11	-45.30
CC(CN(C)C(=O)C=CC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004611071	0	37	-1.0	-57.05	318.34	5.84	-51.21
CC(CN(C)C(=O)C=CC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004611071	1	37	-1.0	-57.03	318.40	5.85	-51.18
CC1=NN(C)C(Cl)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611072	0	35	-1.0	-45.63	310.63	3.00	-42.63
CC1=NN(C)C(Cl)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611072	1	35	-1.0	-45.65	310.69	3.01	-42.64
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611073	0	35	-1.0	-41.82	290.50	4.13	-37.69
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611073	1	35	-1.0	-41.83	290.56	4.14	-37.69
CC(CN(C)C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004611074	0	37	-1.0	-48.85	303.10	4.42	-44.43
CC(CN(C)C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004611074	1	37	-1.0	-48.85	303.04	4.40	-44.45
CC(CN(C)C(=O)C1=CC=C(Cl)O1)C1=N[N-]N=N1	REAL250004611075	0	29	-1.0	-41.66	264.58	3.14	-38.52
CC(CN(C)C(=O)C1=CC=C(Cl)O1)C1=NN=N[N-]1	REAL250004611075	1	29	-1.0	-41.74	264.64	3.16	-38.58
CCOC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611076	0	39	-1.0	-52.09	315.62	4.90	-47.19
CCOC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611076	1	39	-1.0	-52.06	315.68	4.91	-47.15
CCOC1=NC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611077	0	38	-1.0	-52.52	313.13	2.39	-50.13
CCOC1=NC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611077	1	38	-1.0	-52.52	313.07	2.37	-50.15
COC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611078	0	36	-1.0	-45.42	300.92	3.77	-41.65
COC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611078	1	36	-1.0	-45.44	300.98	3.78	-41.66
CCOC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611079	0	39	-1.0	-53.89	323.90	0.76	-53.13
CCOC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611079	1	39	-1.0	-53.87	323.96	0.78	-53.09
CC(CN(C)C(=O)C(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611080	0	36	-1.0	-40.98	301.09	2.75	-38.23
CC(CN(C)C(=O)C(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611080	1	36	-1.0	-40.99	301.15	2.76	-38.23
CC(CN(C)C(=O)C1CC2CCC1C2)C1=N[N-]N=N1	REAL250004611081	0	39	-1.0	-43.21	292.72	4.82	-38.39
CC(CN(C)C(=O)C1CC2CCC1C2)C1=NN=N[N-]1	REAL250004611081	1	39	-1.0	-43.21	292.77	4.84	-38.37
CC1=CC=C(C(=O)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004611082	0	37	-1.0	-41.35	306.15	5.02	-36.33
CC1=CC=C(C(=O)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004611082	1	37	-1.0	-41.35	306.20	5.03	-36.32
CCCC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611083	0	38	-1.0	-41.57	307.83	3.10	-38.47
CCCC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611083	1	38	-1.0	-41.57	307.89	3.11	-38.46
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611084	0	41	-1.0	-47.60	322.77	6.11	-41.49
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611084	1	41	-1.0	-47.59	322.83	6.12	-41.47
CC(CN(C)C(=O)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004611085	0	34	-1.0	-49.53	285.26	3.34	-46.19
CC(CN(C)C(=O)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004611085	1	34	-1.0	-49.54	285.31	3.35	-46.19
CC(CN(C)C(=O)C1=CC2=C(N1)SC=C2)C1=N[N-]N=N1	REAL250004611086	0	33	-1.0	-42.72	285.21	3.70	-39.02
CC(CN(C)C(=O)C1=CC2=C(N1)SC=C2)C1=NN=N[N-]1	REAL250004611086	1	33	-1.0	-42.77	285.27	3.71	-39.06
CC1=NN(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL250004611087	0	41	-1.0	-47.58	334.50	4.15	-43.43
CC1=NN(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL250004611087	1	41	-1.0	-47.59	334.56	4.16	-43.43
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611088	0	34	-1.0	-44.86	280.37	2.87	-41.99
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611088	1	34	-1.0	-44.85	280.43	2.88	-41.97
CC(CN(C)C(=O)CCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004611089	0	44	-1.0	-56.80	349.95	2.49	-54.31
CC(CN(C)C(=O)CCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004611089	1	44	-1.0	-56.82	350.00	2.51	-54.31
CC(=O)C1=CN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611090	0	38	-1.0	-47.86	311.04	3.94	-43.92
CC(=O)C1=CN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611090	1	38	-1.0	-47.79	311.09	3.96	-43.83
CC(CN(C)C(=O)C1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004611091	0	35	-1.0	-40.98	295.48	4.37	-36.61
CC(CN(C)C(=O)C1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004611091	1	35	-1.0	-41.01	295.54	4.38	-36.63
CC1=NOC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611092	0	36	-1.0	-46.48	303.39	1.50	-44.98
CC1=NOC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611092	1	36	-1.0	-46.51	303.45	1.52	-44.99
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL250004611093	0	42	-1.0	-48.39	324.09	6.25	-42.14
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL250004611093	1	42	-1.0	-48.38	324.14	6.26	-42.12
CC1=C(C)SC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611094	0	35	-1.0	-43.05	292.87	4.29	-38.76
CC1=C(C)SC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611094	1	35	-1.0	-43.06	292.93	4.30	-38.76
CC(CN(C)C(=O)C1=C2NN=CC2=CC=C1)C1=N[N-]N=N1	REAL250004611095	0	35	-1.0	-51.58	292.10	2.80	-48.78
CC(CN(C)C(=O)C1=C2NN=CC2=CC=C1)C1=NN=N[N-]1	REAL250004611095	1	35	-1.0	-51.59	292.15	2.81	-48.78
CC(CN(C)C(=O)C1=CC=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004611095	1	35	-1.0	-61.05	292.32	2.83	-58.22
CC(CN(C)C(=O)C1=CC=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004611095	1	35	-1.0	-61.07	292.37	2.85	-58.22
CC(CN(C)C(=O)C(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611096	0	41	-1.0	-47.00	312.42	5.82	-41.18
CC(CN(C)C(=O)C(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611096	1	41	-1.0	-46.96	312.47	5.84	-41.12
CC(CN(C)C(=O)C1=CC=NC2=NC=NN21)C1=NN=N[N-]1	REAL250004611097	0	33	-1.0	-48.73	282.47	5.44	-43.29
CC(CN(C)C(=O)C1=CC=NC2=NC=NN21)C1=N[N-]N=N1	REAL250004611097	1	33	-1.0	-48.73	282.42	5.42	-43.31
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004611098	0	35	-1.0	-47.21	284.53	2.27	-44.94
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004611098	1	35	-1.0	-47.25	284.59	2.28	-44.97
CC(CN(C)C(=O)C1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004611099	0	29	-1.0	-44.88	273.85	3.88	-41.00
CC(CN(C)C(=O)C1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004611099	1	29	-1.0	-44.88	273.90	3.90	-40.98
CC(CN(C)C(=O)C(C)NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004611100	0	44	-1.0	-44.90	342.46	2.39	-42.51
CC(CN(C)C(=O)C(C)NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004611100	1	44	-1.0	-44.94	342.52	2.41	-42.53
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611101	0	34	-1.0	-42.76	286.78	2.44	-40.32
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611101	1	34	-1.0	-42.75	286.84	2.46	-40.29
CC1=NN(C)C(C)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611102	0	41	-1.0	-53.16	331.28	3.84	-49.32
CC1=NN(C)C(C)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611102	1	41	-1.0	-53.18	331.34	3.86	-49.32
CC(CN(C)C(=O)CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004611103	0	34	-1.0	-46.42	287.62	4.53	-41.89
CC(CN(C)C(=O)CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004611103	1	34	-1.0	-46.48	287.56	4.51	-41.97
CC(CN(C)C(=O)CNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004611104	0	36	-1.0	-44.97	299.90	1.35	-43.62
CC(CN(C)C(=O)CNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004611104	1	36	-1.0	-45.00	299.96	1.36	-43.64
CC(CN(C)C(=O)C1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611105	0	42	-1.0	-45.30	321.62	6.38	-38.92
CC(CN(C)C(=O)C1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611105	1	42	-1.0	-45.34	321.67	6.39	-38.95
COC1=NC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611106	0	35	-1.0	-52.24	291.28	1.46	-50.78
COC1=NC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611106	1	35	-1.0	-52.27	291.22	1.44	-50.83
CCCCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611107	0	38	-1.0	-48.79	317.93	5.04	-43.75
CCCCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611107	1	38	-1.0	-48.74	317.99	5.06	-43.68
CCCCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611108	0	46	-1.0	-46.72	359.40	6.79	-39.93
CCCCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611108	1	46	-1.0	-46.71	359.45	6.81	-39.90
CCCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611109	0	43	-1.0	-46.75	337.90	6.01	-40.74
CCCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611109	1	43	-1.0	-46.72	337.95	6.03	-40.69
CCCCCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611110	0	49	-1.0	-46.64	380.90	7.57	-39.07
CCCCCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611110	1	49	-1.0	-46.63	380.95	7.59	-39.04
CCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611111	0	40	-1.0	-46.79	316.40	5.23	-41.56
CCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611111	1	40	-1.0	-46.78	316.46	5.25	-41.53
CC(CN(C)C(=O)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004611112	0	35	-1.0	-45.65	292.87	3.10	-42.55
CC(CN(C)C(=O)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004611112	1	35	-1.0	-45.71	292.82	3.09	-42.62
CC(CN(C)C(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004611113	0	32	-1.0	-49.89	291.79	4.72	-45.17
CC(CN(C)C(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004611113	1	32	-1.0	-49.87	291.84	4.73	-45.14
CC(CN(C)C(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004611114	0	32	-1.0	-47.75	282.06	4.34	-43.41
CC(CN(C)C(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004611114	1	32	-1.0	-47.75	282.12	4.36	-43.39
CC(CN(C)C(=O)C1=CC=CNC1=O)C1=N[N-]N=N1	REAL250004611115	0	32	-1.0	-63.59	275.15	1.20	-62.39
CC(CN(C)C(=O)C1=CC=CNC1=O)C1=NN=N[N-]1	REAL250004611115	1	32	-1.0	-63.61	275.21	1.22	-62.39
CC(=O)NCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611116	0	44	-1.0	-52.00	355.41	2.81	-49.19
CC(=O)NCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611116	1	44	-1.0	-51.96	355.47	2.82	-49.14
CC(CN(C)C(=O)C1CC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004611117	0	40	-1.0	-46.15	317.81	3.50	-42.65
CC(CN(C)C(=O)C1CC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004611117	1	40	-1.0	-46.14	317.87	3.52	-42.62
CC(C)SCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611118	0	35	-1.0	-48.79	293.21	4.09	-44.70
CC(C)SCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611118	1	35	-1.0	-48.74	293.27	4.11	-44.63
CC(CN(C)C(=O)C1=C2N=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004611119	0	34	-1.0	-54.21	287.77	2.97	-51.24
CC(CN(C)C(=O)C1=C2N=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004611119	1	34	-1.0	-54.20	287.72	2.96	-51.24
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611120	0	34	-1.0	-46.67	281.98	3.92	-42.75
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611120	1	34	-1.0	-46.68	282.04	3.94	-42.74
CC(CN(C)C(=O)C1=C2C=NNC2=CC=C1)C1=N[N-]N=N1	REAL250004611121	0	35	-1.0	-50.49	291.40	2.70	-47.79
CC(CN(C)C(=O)C1=C2C=NNC2=CC=C1)C1=NN=N[N-]1	REAL250004611121	1	35	-1.0	-50.52	291.46	2.71	-47.81
CC1=CC=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=C1	REAL250004611122	0	39	-1.0	-43.50	316.24	5.30	-38.20
CC1=CC=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=C1	REAL250004611122	1	39	-1.0	-43.50	316.29	5.31	-38.19
CC(CN(C)C(=O)C1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004611123	0	33	-1.0	-50.46	275.25	1.89	-48.57
CC(CN(C)C(=O)C1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004611123	1	33	-1.0	-50.47	275.30	1.90	-48.57
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1O)C1=N[N-]N=N1	REAL250004611124	0	33	-1.0	-42.52	292.77	2.09	-40.43
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1O)C1=NN=N[N-]1	REAL250004611124	1	33	-1.0	-42.50	292.83	2.10	-40.40
CC(CN(C)C(=O)CCNC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611125	0	40	-1.0	-48.58	325.45	4.03	-44.55
CC(CN(C)C(=O)CCNC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611125	1	40	-1.0	-48.56	325.50	4.05	-44.51
CC(CN(C)C(=O)C1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004611126	0	35	-1.0	-50.16	290.17	2.75	-47.41
CC(CN(C)C(=O)C1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004611126	1	35	-1.0	-50.20	290.23	2.77	-47.43
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1O	REAL250004611127	0	36	-1.0	-46.77	296.21	2.27	-44.50
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1O	REAL250004611127	1	36	-1.0	-46.80	296.27	2.29	-44.51
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1O	REAL250004611128	0	37	-1.0	-51.46	303.57	1.96	-49.50
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1O	REAL250004611128	1	37	-1.0	-51.49	303.63	1.97	-49.52
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1	REAL250004611129	0	37	-1.0	-48.69	304.72	0.94	-47.75
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1	REAL250004611129	1	37	-1.0	-48.66	304.78	0.95	-47.71
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1O)C1=N[N-]N=N1	REAL250004611130	0	33	-1.0	-46.01	292.10	2.13	-43.88
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1O)C1=NN=N[N-]1	REAL250004611130	1	33	-1.0	-46.04	292.15	2.14	-43.90
CC(CN(C)C(=O)CC1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004611132	0	38	-1.0	-60.61	316.64	5.70	-54.91
CC(CN(C)C(=O)CC1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004611132	1	38	-1.0	-60.64	316.70	5.72	-54.92
CC(CN(C)C(=O)C1=CC(C2CC2)=NN1)C1=N[N-]N=N1	REAL250004611133	0	36	-1.0	-44.93	295.22	3.08	-41.85
CC(CN(C)C(=O)C1=CC(C2CC2)=NN1)C1=NN=N[N-]1	REAL250004611133	1	36	-1.0	-44.92	295.27	3.10	-41.82
CC1=CC=C(O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611134	0	36	-1.0	-44.62	297.45	2.24	-42.38
CC1=CC=C(O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611134	1	36	-1.0	-44.64	297.51	2.25	-42.39
COC1=CC=C(O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611135	0	37	-1.0	-44.67	305.49	0.88	-43.79
COC1=CC=C(O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611135	1	37	-1.0	-44.69	305.55	0.89	-43.80
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1O	REAL250004611136	0	36	-1.0	-49.31	294.99	1.95	-47.36
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1O	REAL250004611136	1	36	-1.0	-49.26	295.05	1.96	-47.30
CC(CN(C)C(=O)CCOCC(F)(F)F)C1=N[N-]N=N1	REAL250004611137	0	35	-1.0	-45.04	305.51	2.63	-42.41
CC(CN(C)C(=O)CCOCC(F)(F)F)C1=NN=N[N-]1	REAL250004611137	1	35	-1.0	-45.03	305.57	2.65	-42.38
CC(CN(C)C(=O)C1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004611138	0	39	-1.0	-45.83	305.08	2.44	-43.39
CC(CN(C)C(=O)C1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004611138	1	39	-1.0	-45.87	305.14	2.45	-43.42
CC(CN(C)C(=O)C(C)N1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004611139	0	38	-1.0	-54.79	304.30	3.15	-51.64
CC(CN(C)C(=O)C(C)N1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004611139	1	38	-1.0	-54.77	304.36	3.17	-51.60
CC(CN(C)C(=O)C1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL250004611140	0	35	-1.0	-51.75	296.01	3.09	-48.66
CC(CN(C)C(=O)C1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL250004611140	1	35	-1.0	-51.73	296.07	3.10	-48.63
CC(CN(C)C(=O)C1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004611141	0	36	-1.0	-59.80	298.44	0.84	-58.96
CC(CN(C)C(=O)C1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004611141	1	36	-1.0	-59.81	298.50	0.85	-58.96
CC(CN(C)C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004611142	0	34	-1.0	-56.95	300.88	3.23	-53.72
CC(CN(C)C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004611142	1	34	-1.0	-56.95	300.82	3.22	-53.73
CCN1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1=O	REAL250004611143	0	39	-1.0	-45.22	312.01	2.87	-42.35
CCN1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1=O	REAL250004611143	1	39	-1.0	-45.26	312.06	2.89	-42.37
CC(CN(C)C(=O)C1=NNC2=C1CCCC2)C1=N[N-]N=N1	REAL250004611144	0	39	-1.0	-45.35	306.35	3.59	-41.76
CC(CN(C)C(=O)C1=NNC2=C1CCCC2)C1=NN=N[N-]1	REAL250004611144	1	39	-1.0	-45.35	306.40	3.60	-41.75
CC(CN(C)C(=O)CSCC#N)C1=N[N-]N=N1	REAL250004611145	0	30	-1.0	-55.99	274.29	3.22	-52.77
CC(CN(C)C(=O)CSCC#N)C1=NN=N[N-]1	REAL250004611145	1	30	-1.0	-56.00	274.35	3.23	-52.77
CC(CN(C)C(=O)CCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004611146	0	34	-1.0	-51.40	294.05	-0.31	-51.71
CC(CN(C)C(=O)CCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004611146	1	34	-1.0	-51.41	294.11	-0.30	-51.71
CC(CN(C)C(=O)C=CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004611147	0	36	-1.0	-48.51	302.16	3.26	-45.25
CC(CN(C)C(=O)C=CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004611147	1	36	-1.0	-48.56	302.21	3.28	-45.28
CC(CN(C)C(=O)C1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004611148	0	37	-1.0	-44.07	299.86	3.89	-40.18
CC(CN(C)C(=O)C1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004611148	1	37	-1.0	-44.12	299.91	3.91	-40.21
CNC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611149	0	37	-1.0	-45.61	298.04	3.10	-42.51
CNC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611149	1	37	-1.0	-45.63	298.10	3.12	-42.51
CC(CN(C)C(=O)C1=CN(C)C(=O)NC1=O)C1=N[N-]N=N1	REAL250004611150	0	35	-1.0	-53.21	299.57	0.35	-52.86
CC(CN(C)C(=O)C1=CN(C)C(=O)NC1=O)C1=NN=N[N-]1	REAL250004611150	1	35	-1.0	-53.21	299.62	0.36	-52.85
CC(CN(C)C(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004611151	0	35	-1.0	-50.84	286.27	2.78	-48.06
CC(CN(C)C(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004611151	1	35	-1.0	-50.88	286.21	2.76	-48.12
CCC1=NNC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611152	0	35	-1.0	-45.69	285.91	1.80	-43.89
CCC1=NNC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611152	1	35	-1.0	-45.70	285.96	1.82	-43.88
CC(CN(C)C(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004611153	0	31	-1.0	-57.47	265.44	3.95	-53.52
CC(CN(C)C(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004611153	1	31	-1.0	-57.45	265.39	3.94	-53.51
CC(CN(C)C(=O)CSC(F)(F)F)C1=N[N-]N=N1	REAL250004611154	0	29	-1.0	-45.61	273.21	3.19	-42.42
CC(CN(C)C(=O)CSC(F)(F)F)C1=NN=N[N-]1	REAL250004611154	1	29	-1.0	-45.62	273.26	3.20	-42.42
CC(CN(C)C(=O)CN(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004611155	0	36	-1.0	-47.48	304.78	-0.40	-47.88
CC(CN(C)C(=O)CN(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004611155	1	36	-1.0	-47.48	304.84	-0.39	-47.87
CC(CN(C)C(=O)CCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004611156	0	38	-1.0	-54.44	315.63	4.19	-50.25
CC(CN(C)C(=O)CCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004611156	1	38	-1.0	-54.37	315.68	4.20	-50.17
CC(C)OCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611157	0	38	-1.0	-45.23	306.20	2.91	-42.32
CC(C)OCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611157	1	38	-1.0	-45.20	306.26	2.92	-42.28
CC(CN(C)C(=O)CN1C=CC=NC1=O)C1=N[N-]N=N1	REAL250004611158	0	34	-1.0	-64.18	289.54	1.53	-62.65
CC(CN(C)C(=O)CN1C=CC=NC1=O)C1=NN=N[N-]1	REAL250004611158	1	34	-1.0	-64.14	289.60	1.55	-62.59
CCC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611159	0	35	-1.0	-41.69	286.33	2.32	-39.37
CCC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611159	1	35	-1.0	-41.69	286.39	2.34	-39.35
CC(CN(C)C(=O)C1COCCO1)C1=N[N-]N=N1	REAL250004611160	0	34	-1.0	-44.96	272.05	1.27	-43.69
CC(CN(C)C(=O)C1COCCO1)C1=NN=N[N-]1	REAL250004611160	1	34	-1.0	-44.94	272.11	1.28	-43.66
CCCCCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611161	0	44	-1.0	-49.98	350.97	5.61	-44.37
CCCCCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611161	1	44	-1.0	-49.97	351.03	5.63	-44.34
CC(CN(C)C(=O)CCCNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004611162	0	42	-1.0	-49.72	343.53	2.83	-46.89
CC(CN(C)C(=O)CCCNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004611162	1	42	-1.0	-49.78	343.59	2.85	-46.93
CC(CN(C)C(=O)CCC1CCCO1)C1=N[N-]N=N1	REAL250004611163	0	39	-1.0	-46.75	308.33	3.22	-43.53
CC(CN(C)C(=O)CCC1CCCO1)C1=NN=N[N-]1	REAL250004611163	1	39	-1.0	-46.75	308.38	3.23	-43.52
CC(CN(C)C(=O)C1=CC=C(N(C)C)N=C1)C1=NN=N[N-]1	REAL250004611164	0	39	-1.0	-45.80	312.37	3.87	-41.93
CC(CN(C)C(=O)C1=CC=C(N(C)C)N=C1)C1=N[N-]N=N1	REAL250004611164	1	39	-1.0	-45.80	312.31	3.86	-41.94
COCC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611165	0	39	-1.0	-46.73	314.75	3.96	-42.77
COCC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611165	1	39	-1.0	-46.76	314.81	3.98	-42.78
COCCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611166	0	36	-1.0	-48.29	308.61	2.54	-45.75
COCCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611166	1	36	-1.0	-48.32	308.66	2.55	-45.77
CC(CN(C)C(=O)CN1CCCCC1=O)C1=N[N-]N=N1	REAL250004611167	0	39	-1.0	-49.42	310.75	3.38	-46.04
CC(CN(C)C(=O)CN1CCCCC1=O)C1=NN=N[N-]1	REAL250004611167	1	39	-1.0	-49.41	310.80	3.40	-46.01
CC(CN(C)C(=O)CN1CCCNC1=O)C1=N[N-]N=N1	REAL250004611168	0	38	-1.0	-56.46	305.67	1.27	-55.19
CC(CN(C)C(=O)CN1CCCNC1=O)C1=NN=N[N-]1	REAL250004611168	1	38	-1.0	-56.46	305.72	1.29	-55.17
CC(=O)N(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611169	0	35	-1.0	-53.69	287.40	2.09	-51.60
CC(=O)N(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611169	1	35	-1.0	-53.71	287.45	2.09	-51.62
CC(CN(C)C(=O)C1CC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004611170	0	36	-1.0	-50.38	288.88	1.85	-48.53
CC(CN(C)C(=O)C1CC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004611170	1	36	-1.0	-50.36	288.93	1.86	-48.50
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1C#N	REAL250004611171	0	35	-1.0	-43.98	300.57	4.16	-39.82
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1C#N	REAL250004611171	1	35	-1.0	-43.97	300.63	4.18	-39.79
CC(CN(C)C(=O)C1=CSN=N1)C1=NN=N[N-]1	REAL250004611172	0	27	-1.0	-43.28	245.24	1.10	-42.18
CC(CN(C)C(=O)C1=CSN=N1)C1=N[N-]N=N1	REAL250004611172	1	27	-1.0	-43.28	245.18	1.09	-42.19
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=N1	REAL250004611173	0	35	-1.0	-44.57	291.15	0.80	-43.77
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=N1	REAL250004611173	1	35	-1.0	-44.64	291.09	0.78	-43.86
CCCCC(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611174	0	43	-1.0	-47.22	321.77	5.17	-42.05
CCCCC(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611174	1	43	-1.0	-47.18	321.82	5.18	-42.00
COC(=O)N(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611175	0	36	-1.0	-53.04	300.92	2.06	-50.98
COC(=O)N(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611175	1	36	-1.0	-53.03	300.98	2.08	-50.95
CC1=NOC(CCCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611176	0	39	-1.0	-54.30	324.90	2.30	-52.00
CC1=NOC(CCCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611176	1	39	-1.0	-54.29	324.95	2.31	-51.98
CCC(=O)NC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611177	0	38	-1.0	-45.34	304.02	1.15	-44.19
CCC(=O)NC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611177	1	38	-1.0	-45.31	304.08	1.16	-44.15
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004611178	0	37	-1.0	-44.83	304.56	4.49	-40.34
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004611178	1	37	-1.0	-44.82	304.61	4.51	-40.31
CC(CN(C)C(=O)C1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL250004611179	0	32	-1.0	-78.27	266.46	4.07	-74.20
CC(CN(C)C(=O)C1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL250004611179	1	32	-1.0	-78.25	266.51	4.09	-74.16
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004611180	0	31	-1.0	-42.81	265.21	1.73	-41.08
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004611180	1	31	-1.0	-42.81	265.26	1.74	-41.07
CC(CN(C)C(=O)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611181	0	41	-1.0	-49.04	333.32	6.70	-42.34
CC(CN(C)C(=O)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611181	1	41	-1.0	-49.01	333.38	6.72	-42.29
CC(CN(C)C(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004611182	0	36	-1.0	-48.79	296.82	4.10	-44.69
CC(CN(C)C(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004611182	1	36	-1.0	-48.77	296.88	4.12	-44.65
CCOCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611183	0	38	-1.0	-49.69	307.43	2.93	-46.76
CCOCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611183	1	38	-1.0	-49.76	307.49	2.94	-46.82
CC(CN(C)C(=O)CCOCC1CCCO1)C1=N[N-]N=N1	REAL250004611184	0	43	-1.0	-47.31	343.02	2.62	-44.69
CC(CN(C)C(=O)CCOCC1CCCO1)C1=NN=N[N-]1	REAL250004611184	1	43	-1.0	-47.30	343.08	2.64	-44.66
CC(CN(C)C(=O)COCC1CC1)C1=N[N-]N=N1	REAL250004611185	0	36	-1.0	-50.65	296.66	4.06	-46.59
CC(CN(C)C(=O)COCC1CC1)C1=NN=N[N-]1	REAL250004611185	1	36	-1.0	-50.62	296.72	4.08	-46.54
CC(CN(C)C(=O)CC1CCCO1)C1=N[N-]N=N1	REAL250004611186	0	36	-1.0	-47.58	286.27	3.10	-44.48
CC(CN(C)C(=O)CC1CCCO1)C1=NN=N[N-]1	REAL250004611186	1	36	-1.0	-47.54	286.33	3.12	-44.42
CC(CN(C)C(=O)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004611187	0	34	-1.0	-64.40	286.45	0.13	-64.27
CC(CN(C)C(=O)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004611187	1	34	-1.0	-64.36	286.50	0.15	-64.21
CC(CN(C)C(=O)C1=CC=CN=C1N(C)C)C1=N[N-]N=N1	REAL250004611188	0	39	-1.0	-49.53	315.70	3.24	-46.29
CC(CN(C)C(=O)C1=CC=CN=C1N(C)C)C1=NN=N[N-]1	REAL250004611188	1	39	-1.0	-49.54	315.76	3.26	-46.28
CC(CN(C)C(=O)C1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004611189	0	36	-1.0	-49.75	295.24	4.07	-45.68
CC(CN(C)C(=O)C1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004611189	1	36	-1.0	-49.72	295.30	4.09	-45.63
CC1=CC(NC(=O)C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611190	0	35	-1.0	-42.22	296.99	1.94	-40.28
CC1=CC(NC(=O)C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611190	1	35	-1.0	-42.25	297.05	1.96	-40.29
CC(CN(C)C(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004611191	0	34	-1.0	-51.31	285.86	-1.32	-52.63
CC(CN(C)C(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004611191	1	34	-1.0	-51.30	285.92	-1.30	-52.60
CC(C)CC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611192	0	41	-1.0	-41.62	327.00	3.62	-38.00
CC(C)CC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611192	1	41	-1.0	-41.62	327.06	3.64	-37.98
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004611193	0	38	-1.0	-47.21	305.87	3.01	-44.20
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004611193	1	38	-1.0	-47.20	305.93	3.03	-44.17
CC(C)C1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611194	0	38	-1.0	-41.58	305.17	2.86	-38.72
CC(C)C1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611194	1	38	-1.0	-41.59	305.22	2.88	-38.71
CCOC(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611195	0	34	-1.0	-55.10	284.21	3.99	-51.11
CCOC(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611195	1	34	-1.0	-55.12	284.27	4.01	-51.11
CC(CN(C)C(=O)CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004611196	0	37	-1.0	-46.92	306.70	4.15	-42.77
CC(CN(C)C(=O)CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004611196	1	37	-1.0	-46.89	306.76	4.17	-42.72
CC(CN(C)C(=O)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004611197	0	35	-1.0	-48.82	295.79	3.05	-45.77
CC(CN(C)C(=O)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004611197	1	35	-1.0	-48.79	295.84	3.07	-45.72
CCCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004611198	0	41	-1.0	-47.49	327.36	3.79	-43.70
CCCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004611198	1	41	-1.0	-47.46	327.42	3.81	-43.65
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611199	0	39	-1.0	-50.07	313.03	4.82	-45.25
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611199	1	39	-1.0	-50.07	313.09	4.84	-45.23
CC(CN(C)C(=O)C1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL250004611201	0	36	-1.0	-53.98	306.17	5.22	-48.76
CC(CN(C)C(=O)C1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL250004611201	1	36	-1.0	-53.99	306.22	5.23	-48.76
CC(CN(C)C(=O)C1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004611202	0	36	-1.0	-45.54	283.47	0.38	-45.16
CC(CN(C)C(=O)C1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004611202	1	36	-1.0	-45.54	283.53	0.39	-45.15
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=NN1)C1=N[N-]N=N1	REAL250004611203	0	41	-1.0	-41.55	325.22	3.46	-38.09
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=NN1)C1=NN=N[N-]1	REAL250004611203	1	41	-1.0	-41.58	325.27	3.47	-38.11
CC(CN(C)C(=O)C1=NNC2=C1CCC2)C1=N[N-]N=N1	REAL250004611204	0	36	-1.0	-48.97	291.69	3.05	-45.92
CC(CN(C)C(=O)C1=NNC2=C1CCC2)C1=NN=N[N-]1	REAL250004611204	1	36	-1.0	-48.97	291.75	3.06	-45.91
CC(CN(C)C(=O)CCC(C)(F)F)C1=N[N-]N=N1	REAL250004611205	0	34	-1.0	-44.20	284.53	3.81	-40.39
CC(CN(C)C(=O)CCC(C)(F)F)C1=NN=N[N-]1	REAL250004611205	1	34	-1.0	-44.18	284.58	3.82	-40.36
CC(CN(C)C(=O)COC1CCCC1)C1=N[N-]N=N1	REAL250004611206	0	39	-1.0	-50.42	309.93	4.53	-45.89
CC(CN(C)C(=O)COC1CCCC1)C1=NN=N[N-]1	REAL250004611206	1	39	-1.0	-50.44	309.99	4.54	-45.90
CC(CN(C)C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL250004611207	0	34	-1.0	-65.22	301.25	4.17	-61.05
CC(CN(C)C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL250004611207	1	34	-1.0	-65.23	301.19	4.15	-61.08
CC(CN(C)C(=O)COC1CCCCC1)C1=N[N-]N=N1	REAL250004611208	0	42	-1.0	-50.17	327.01	5.12	-45.05
CC(CN(C)C(=O)COC1CCCCC1)C1=NN=N[N-]1	REAL250004611208	1	42	-1.0	-50.14	327.07	5.14	-45.00
CC(CN(C)C(=O)C1=CSC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004611209	0	31	-1.0	-44.25	283.89	3.83	-40.42
CC(CN(C)C(=O)C1=CSC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004611209	1	31	-1.0	-44.30	283.94	3.85	-40.45
CC(CN(C)C(=O)C(F)(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611210	0	35	-1.0	-39.83	297.08	5.11	-34.72
CC(CN(C)C(=O)C(F)(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611210	1	35	-1.0	-39.84	297.14	5.13	-34.71
CC(C)C1=NN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611211	0	41	-1.0	-50.48	329.67	3.74	-46.74
CC(C)C1=NN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611211	1	41	-1.0	-50.48	329.73	3.75	-46.73
CC1=NC=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611212	0	33	-1.0	-43.66	273.55	2.68	-40.98
CC1=NC=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611212	1	33	-1.0	-43.67	273.61	2.70	-40.97
CCC1=NC=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611213	0	36	-1.0	-43.42	292.57	3.32	-40.10
CCC1=NC=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611213	1	36	-1.0	-43.46	292.63	3.34	-40.12
CC(C)C1=NC=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611214	0	39	-1.0	-43.84	314.46	4.02	-39.82
CC(C)C1=NC=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611214	1	39	-1.0	-43.85	314.51	4.04	-39.81
C=CCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611215	0	33	-1.0	-49.00	287.74	4.03	-44.97
C=CCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611215	1	33	-1.0	-49.02	287.80	4.04	-44.98
CCOC1CC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611216	0	36	-1.0	-44.87	295.69	2.76	-42.11
CCOC1CC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611216	1	36	-1.0	-44.89	295.75	2.77	-42.12
CCOC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611217	0	38	-1.0	-43.33	312.83	1.71	-41.62
CCOC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611217	1	38	-1.0	-43.34	312.77	1.69	-41.65
CC1=NC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611218	0	33	-1.0	-41.18	276.64	3.05	-38.13
CC1=NC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611218	1	33	-1.0	-41.21	276.69	3.06	-38.15
CC(CN(C)C(=O)C1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004611219	0	35	-1.0	-52.88	291.56	2.81	-50.07
CC(CN(C)C(=O)C1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004611219	1	35	-1.0	-52.87	291.61	2.82	-50.05
CC(CN(C)C(=O)C1=C(Cl)N=CS1)C1=NN=N[N-]1	REAL250004611220	0	28	-1.0	-45.65	262.01	1.56	-44.09
CC(CN(C)C(=O)C1=C(Cl)N=CS1)C1=N[N-]N=N1	REAL250004611220	1	28	-1.0	-45.63	261.95	1.54	-44.09
CCSCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611221	0	35	-1.0	-44.78	296.61	4.25	-40.53
CCSCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611221	1	35	-1.0	-44.79	296.66	4.26	-40.53
COC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611222	0	33	-1.0	-45.50	279.90	-0.83	-46.33
COC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611222	1	33	-1.0	-45.50	279.96	-0.82	-46.32
CC(CN(C)C(=O)C1=NOC2=C1CCCC2)C1=N[N-]N=N1	REAL250004611223	0	38	-1.0	-42.38	303.53	4.67	-37.71
CC(CN(C)C(=O)C1=NOC2=C1CCCC2)C1=NN=N[N-]1	REAL250004611223	1	38	-1.0	-42.39	303.59	4.68	-37.71
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])N1)C1=N[N-]N=N1	REAL250004611224	0	32	-1.0	-42.64	279.05	4.12	-38.52
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])N1)C1=NN=N[N-]1	REAL250004611224	1	32	-1.0	-42.67	279.11	4.14	-38.53
CC(CN(C)C(=O)C1=NSN=C1)C1=NN=N[N-]1	REAL250004611225	0	27	-1.0	-39.67	243.78	0.75	-38.92
CC(CN(C)C(=O)C1=NSN=C1)C1=N[N-]N=N1	REAL250004611225	1	27	-1.0	-39.67	243.72	0.74	-38.93
CC(CN(C)C(=O)C1=CN=NS1)C1=NN=N[N-]1	REAL250004611226	0	27	-1.0	-41.18	243.30	0.61	-40.57
CC(CN(C)C(=O)C1=CN=NS1)C1=N[N-]N=N1	REAL250004611226	1	27	-1.0	-41.17	243.24	0.59	-40.58
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611227	0	37	-1.0	-50.76	306.87	3.94	-46.82
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611227	1	37	-1.0	-50.77	306.93	3.95	-46.82
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)N1	REAL250004611228	0	35	-1.0	-61.71	296.58	1.78	-59.93
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)N1	REAL250004611228	1	35	-1.0	-61.71	296.64	1.79	-59.92
CC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)CC(C)(C)C	REAL250004611229	0	46	-1.0	-46.28	338.45	5.74	-40.54
CC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)CC(C)(C)C	REAL250004611229	1	46	-1.0	-46.21	338.51	5.75	-40.46
CCCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611230	0	35	-1.0	-48.79	296.43	4.26	-44.53
CCCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611230	1	35	-1.0	-48.77	296.49	4.28	-44.49
CC(CN(C)C(=O)C(C)N1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004611231	0	35	-1.0	-49.87	303.34	3.29	-46.58
CC(CN(C)C(=O)C(C)N1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004611231	1	35	-1.0	-49.89	303.28	3.28	-46.61
CC(CN(C)C(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004611232	0	35	-1.0	-55.62	296.89	3.61	-52.01
CC(CN(C)C(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004611232	1	35	-1.0	-55.61	296.95	3.63	-51.98
CC(CN(C)C(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004611233	0	28	-1.0	-47.28	248.48	1.11	-46.17
CC(CN(C)C(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004611233	1	28	-1.0	-47.29	248.43	1.09	-46.20
CC(CN(C)C(=O)C=C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004611234	0	40	-1.0	-42.33	314.01	6.11	-36.22
CC(CN(C)C(=O)C=C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004611234	1	40	-1.0	-42.36	314.06	6.13	-36.23
CC(CN(C)C(=O)CCN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004611235	0	35	-1.0	-44.62	309.90	3.60	-41.02
CC(CN(C)C(=O)CCN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004611235	1	35	-1.0	-44.61	309.85	3.58	-41.03
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611236	0	39	-1.0	-45.27	319.48	6.41	-38.86
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611236	1	39	-1.0	-45.24	319.54	6.42	-38.82
CC(=O)N1CCCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611237	0	42	-1.0	-55.49	318.79	4.52	-50.97
CC(=O)N1CCCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611237	1	42	-1.0	-55.50	318.85	4.53	-50.97
CC(CN(C)C(=O)C1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611238	0	37	-1.0	-46.35	302.52	4.44	-41.91
CC(CN(C)C(=O)C1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611238	1	37	-1.0	-46.33	302.46	4.43	-41.90
CC1=CN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004611239	0	35	-1.0	-55.59	292.56	3.18	-52.41
CC1=CN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004611239	1	35	-1.0	-55.60	292.50	3.17	-52.43
CC(C)S(=O)(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611240	0	37	-1.0	-64.21	310.64	0.64	-63.57
CC(C)S(=O)(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611240	1	37	-1.0	-64.22	310.69	0.66	-63.56
CC1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611241	0	35	-1.0	-45.67	283.14	2.44	-43.23
CC1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611241	1	35	-1.0	-45.69	283.20	2.46	-43.23
CCOC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611242	0	39	-1.0	-46.19	314.50	4.30	-41.89
CCOC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611242	1	39	-1.0	-46.22	314.55	4.31	-41.91
CC(CN(C)C(=O)CCC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004611243	0	38	-1.0	-49.29	314.70	3.72	-45.57
CC(CN(C)C(=O)CCC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004611243	1	38	-1.0	-49.25	314.64	3.70	-45.55
CC(CN(C)C(=O)CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004611244	0	38	-1.0	-53.44	318.31	5.64	-47.80
CC(CN(C)C(=O)CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004611244	1	38	-1.0	-53.45	318.37	5.66	-47.79
CC(CN(C)C(=O)CSC1=NN=CS1)C1=NN=N[N-]1	REAL250004611245	0	31	-1.0	-46.73	292.18	1.91	-44.82
CC(CN(C)C(=O)CSC1=NN=CS1)C1=N[N-]N=N1	REAL250004611245	1	31	-1.0	-46.73	292.12	1.90	-44.83
CC(CN(C)C(=O)CNC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004611246	0	44	-1.0	-43.82	342.57	2.46	-41.36
CC(CN(C)C(=O)CNC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004611246	1	44	-1.0	-43.78	342.63	2.47	-41.31
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004611247	0	38	-1.0	-43.03	318.82	5.15	-37.88
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004611247	1	38	-1.0	-43.04	318.87	5.17	-37.87
CCCCSC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611248	0	41	-1.0	-48.89	334.40	5.52	-43.37
CCCCSC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611248	1	41	-1.0	-48.86	334.46	5.54	-43.32
CC(=O)NCC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611249	0	39	-1.0	-48.60	328.05	-1.76	-50.36
CC(=O)NCC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611249	1	39	-1.0	-48.56	328.11	-1.74	-50.30
CC(CN(C)C(=O)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611250	0	39	-1.0	-52.27	323.59	6.54	-45.73
CC(CN(C)C(=O)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611250	1	39	-1.0	-52.23	323.65	6.55	-45.68
CC1=CC=C2OC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=C1	REAL250004611251	0	38	-1.0	-41.90	315.73	5.59	-36.31
CC1=CC=C2OC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=C1	REAL250004611251	1	38	-1.0	-41.87	315.78	5.61	-36.26
CC1=CN(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004611252	0	38	-1.0	-45.55	314.75	3.77	-41.78
CC1=CN(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004611252	1	38	-1.0	-45.54	314.69	3.76	-41.78
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004611253	0	39	-1.0	-43.63	313.04	5.57	-38.06
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004611253	1	39	-1.0	-43.64	313.10	5.58	-38.06
CCOCCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611254	0	42	-1.0	-54.38	335.14	3.15	-51.23
CCOCCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611254	1	42	-1.0	-54.40	335.20	3.16	-51.24
CC(C)COC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611255	0	41	-1.0	-50.12	321.26	4.41	-45.71
CC(C)COC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611255	1	41	-1.0	-50.14	321.32	4.42	-45.72
CC(CN(C)C(=O)CCC1=NC=CS1)C1=N[N-]N=N1	REAL250004611256	0	34	-1.0	-46.99	296.61	3.04	-43.95
CC(CN(C)C(=O)CCC1=NC=CS1)C1=NN=N[N-]1	REAL250004611256	1	34	-1.0	-47.02	296.67	3.05	-43.97
CC(C)CCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611257	0	41	-1.0	-48.60	335.50	5.56	-43.04
CC(C)CCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611257	1	41	-1.0	-48.58	335.56	5.57	-43.01
CC(CN(C)C(=O)C1(C#N)CCCCC1)C1=N[N-]N=N1	REAL250004611258	0	39	-1.0	-40.96	298.50	3.96	-37.00
CC(CN(C)C(=O)C1(C#N)CCCCC1)C1=NN=N[N-]1	REAL250004611258	1	39	-1.0	-40.97	298.55	3.97	-37.00
CCCC(C)=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611259	0	38	-1.0	-45.57	302.04	4.96	-40.61
CCCC(C)=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611259	1	38	-1.0	-45.58	302.10	4.97	-40.61
CC(CN(C)C(=O)C1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611260	0	37	-1.0	-49.73	310.54	4.56	-45.17
CC(CN(C)C(=O)C1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611260	1	37	-1.0	-49.67	310.48	4.55	-45.12
CC(CN(C)C(=O)C1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004611261	0	37	-1.0	-47.89	305.15	4.46	-43.43
CC(CN(C)C(=O)C1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004611261	1	37	-1.0	-47.91	305.09	4.44	-43.47
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611262	0	31	-1.0	-43.43	269.42	1.85	-41.58
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611262	1	31	-1.0	-43.44	269.47	1.87	-41.57
CCOC(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611263	0	38	-1.0	-48.77	301.08	3.73	-45.04
CCOC(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611263	1	38	-1.0	-48.76	301.14	3.74	-45.02
CC(CN(C)C(=O)CN(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611264	0	40	-1.0	-49.34	321.23	5.30	-44.04
CC(CN(C)C(=O)CN(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611264	1	40	-1.0	-49.37	321.29	5.32	-44.05
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611265	0	35	-1.0	-47.96	302.54	5.02	-42.94
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611265	1	35	-1.0	-47.94	302.60	5.04	-42.90
CC(CN(C)C(=O)C=C1CCCCC1)C1=N[N-]N=N1	REAL250004611266	0	39	-1.0	-42.42	299.94	5.22	-37.20
CC(CN(C)C(=O)C=C1CCCCC1)C1=NN=N[N-]1	REAL250004611266	1	39	-1.0	-42.43	300.00	5.24	-37.19
CCCS(=O)(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611267	0	37	-1.0	-64.63	314.90	0.83	-63.80
CCCS(=O)(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611267	1	37	-1.0	-64.66	314.96	0.84	-63.82
CC(CN(C)C(=O)C1=CC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL250004611268	0	33	-1.0	-53.38	288.22	-0.26	-53.64
CC(CN(C)C(=O)C1=CC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL250004611268	1	33	-1.0	-53.41	288.28	-0.25	-53.66
CC(CN(C)C(=O)CS(C)(=O)=O)C1=N[N-]N=N1	REAL250004611270	0	31	-1.0	-65.28	271.94	-0.85	-66.13
CC(CN(C)C(=O)CS(C)(=O)=O)C1=NN=N[N-]1	REAL250004611270	1	31	-1.0	-65.27	272.00	-0.84	-66.11
CCS(=O)(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611271	0	34	-1.0	-65.00	293.40	0.03	-64.97
CCS(=O)(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611271	1	34	-1.0	-65.01	293.46	0.05	-64.96
CC(CN(C)C(=O)CCN1CCOC1=O)C1=N[N-]N=N1	REAL250004611272	0	37	-1.0	-53.98	306.72	2.22	-51.76
CC(CN(C)C(=O)CCN1CCOC1=O)C1=NN=N[N-]1	REAL250004611272	1	37	-1.0	-53.95	306.77	2.24	-51.71
CC(CN(C)C(=O)C1=CC=CC2=C1CCC2)C1=N[N-]N=N1	REAL250004611273	0	39	-1.0	-48.10	309.08	5.97	-42.13
CC(CN(C)C(=O)C1=CC=CC2=C1CCC2)C1=NN=N[N-]1	REAL250004611273	1	39	-1.0	-48.09	309.13	5.98	-42.11
CCC1=NC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004611274	0	37	-1.0	-52.73	317.45	3.72	-49.01
CCC1=NC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004611274	1	37	-1.0	-52.71	317.50	3.74	-48.97
CC1=CC=CC(C2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)=C1	REAL250004611275	0	42	-1.0	-44.39	334.43	6.56	-37.83
CC1=CC=CC(C2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)=C1	REAL250004611275	1	42	-1.0	-44.38	334.49	6.57	-37.81
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004611276	0	35	-1.0	-42.03	289.70	4.35	-37.68
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004611276	1	35	-1.0	-42.03	289.76	4.37	-37.66
CSC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=N1	REAL250004611277	0	35	-1.0	-44.35	302.45	3.47	-40.88
CSC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=N1	REAL250004611277	1	35	-1.0	-44.34	302.40	3.45	-40.89
CC(CN(C)C(=O)C(C)OCC1CC1)C1=N[N-]N=N1	REAL250004611278	0	39	-1.0	-50.54	310.73	4.50	-46.04
CC(CN(C)C(=O)C(C)OCC1CC1)C1=NN=N[N-]1	REAL250004611278	1	39	-1.0	-50.53	310.79	4.51	-46.02
CC(CN(C)C(=O)CC(C)C1CC1)C1=N[N-]N=N1	REAL250004611279	0	38	-1.0	-46.01	298.39	4.94	-41.07
CC(CN(C)C(=O)CC(C)C1CC1)C1=NN=N[N-]1	REAL250004611279	1	38	-1.0	-46.05	298.45	4.95	-41.10
CC(CN(C)C(=O)CC1CCCCC1C)C1=N[N-]N=N1	REAL250004611280	0	44	-1.0	-42.92	327.01	5.84	-37.08
CC(CN(C)C(=O)CC1CCCCC1C)C1=NN=N[N-]1	REAL250004611280	1	44	-1.0	-42.98	327.07	5.86	-37.12
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CO1	REAL250004611281	0	31	-1.0	-42.85	260.14	0.81	-42.04
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CO1	REAL250004611281	1	31	-1.0	-42.82	260.08	0.80	-42.02
COCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004611282	0	35	-1.0	-43.90	305.50	1.75	-42.15
COCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004611282	1	35	-1.0	-43.91	305.56	1.76	-42.15
CC(CN(C)C(=O)CC(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004611283	0	42	-1.0	-45.76	328.85	6.40	-39.36
CC(CN(C)C(=O)CC(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004611283	1	42	-1.0	-45.81	328.91	6.42	-39.39
CCC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611284	0	34	-1.0	-46.72	291.76	2.60	-44.12
CCC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611284	1	34	-1.0	-46.69	291.82	2.61	-44.08
CC(CN(C)C(=O)CCCN1C=CN=C1)C1=N[N-]N=N1	REAL250004611285	0	38	-1.0	-54.74	313.80	5.49	-49.25
CC(CN(C)C(=O)CCCN1C=CN=C1)C1=NN=N[N-]1	REAL250004611285	1	38	-1.0	-54.70	313.86	5.51	-49.19
C=CCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611286	0	36	-1.0	-50.02	299.29	3.83	-46.19
C=CCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611286	1	36	-1.0	-49.99	299.35	3.85	-46.14
CC(CN(C)C(=O)CCC1=CSC=N1)C1=N[N-]N=N1	REAL250004611287	0	34	-1.0	-46.64	296.08	2.92	-43.72
CC(CN(C)C(=O)CCC1=CSC=N1)C1=NN=N[N-]1	REAL250004611287	1	34	-1.0	-46.63	296.14	2.94	-43.69
CC(CN(C)C(=O)C1=C(C2CC2)C=CS1)C1=N[N-]N=N1	REAL250004611288	0	36	-1.0	-43.28	298.68	5.04	-38.24
CC(CN(C)C(=O)C1=C(C2CC2)C=CS1)C1=NN=N[N-]1	REAL250004611288	1	36	-1.0	-43.30	298.74	5.05	-38.25
CC(CN(C)C(=O)CNC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004611290	0	38	-1.0	-48.29	324.06	3.78	-44.51
CC(CN(C)C(=O)CNC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004611290	1	38	-1.0	-48.34	324.12	3.79	-44.55
CC(CN(C)C(=O)C1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004611291	0	31	-1.0	-43.81	265.38	2.26	-41.55
CC(CN(C)C(=O)C1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004611291	1	31	-1.0	-43.85	265.32	2.24	-41.61
CC(CN(C)C(=O)C1=CC=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL250004611292	0	35	-1.0	-46.46	294.08	0.11	-46.35
CC(CN(C)C(=O)C1=CC=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL250004611292	1	35	-1.0	-46.45	294.02	0.09	-46.36
CC(CN(C)C(=O)CCCN1C=CC=N1)C1=NN=N[N-]1	REAL250004611293	0	38	-1.0	-55.95	314.37	3.91	-52.04
CC(CN(C)C(=O)CCCN1C=CC=N1)C1=N[N-]N=N1	REAL250004611293	1	38	-1.0	-55.97	314.32	3.89	-52.08
CC(CN(C)C(=O)CC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004611294	0	38	-1.0	-54.36	317.32	3.67	-50.69
CC(CN(C)C(=O)CC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004611294	1	38	-1.0	-54.31	317.38	3.69	-50.62
COCCOCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611295	0	39	-1.0	-46.79	319.56	1.42	-45.37
COCCOCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611295	1	39	-1.0	-46.84	319.62	1.44	-45.40
C#CCN1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611296	1	42	-1.0	-37.55	325.19	2.90	-34.65
CC(CN(C)C(=O)C(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004611298	0	35	-1.0	-52.28	283.61	3.94	-48.34
CC(CN(C)C(=O)C(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004611298	1	35	-1.0	-52.30	283.67	3.96	-48.34
CC(CN(C)C(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL250004611301	0	28	-1.0	-49.15	247.83	2.55	-46.60
CC(CN(C)C(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL250004611301	1	28	-1.0	-49.16	247.89	2.57	-46.59
CC(CN(C)C(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004611302	0	42	-1.0	-45.33	334.79	1.20	-44.13
CC(CN(C)C(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004611302	1	42	-1.0	-45.31	334.85	1.21	-44.10
CC(CN(C)C(=O)C1CNC(=O)C1)C1=N[N-]N=N1	REAL250004611303	0	33	-1.0	-45.32	268.19	-0.42	-45.74
CC(CN(C)C(=O)C1CNC(=O)C1)C1=NN=N[N-]1	REAL250004611303	1	33	-1.0	-45.35	268.24	-0.41	-45.76
CCCCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611304	0	41	-1.0	-50.19	322.66	4.50	-45.69
CCCCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611304	1	41	-1.0	-50.16	322.72	4.51	-45.65
CCCCC(NC(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611305	0	43	-1.0	-57.63	335.77	1.00	-56.63
CCCCC(NC(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611305	1	43	-1.0	-57.63	335.83	1.02	-56.61
CC(C)CCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611306	0	41	-1.0	-50.01	325.54	4.56	-45.45
CC(C)CCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611306	1	41	-1.0	-49.99	325.60	4.58	-45.41
CC(C)CCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611307	0	44	-1.0	-50.06	340.23	5.02	-45.04
CC(C)CCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611307	1	44	-1.0	-50.05	340.29	5.04	-45.01
COCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611308	0	38	-1.0	-47.05	307.07	2.74	-44.31
COCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611308	1	38	-1.0	-47.06	307.13	2.76	-44.30
CC(CN(C)C(=O)CCCC(N)=O)C1=N[N-]N=N1	REAL250004611309	0	35	-1.0	-59.47	289.59	-0.25	-59.72
CC(CN(C)C(=O)CCCC(N)=O)C1=NN=N[N-]1	REAL250004611309	1	35	-1.0	-59.50	289.65	-0.24	-59.74
CC(CN(C)C(=O)C(C)OCC1CCCO1)C1=N[N-]N=N1	REAL250004611310	0	43	-1.0	-55.27	338.23	3.48	-51.79
CC(CN(C)C(=O)C(C)OCC1CCCO1)C1=NN=N[N-]1	REAL250004611310	1	43	-1.0	-55.28	338.28	3.49	-51.79
CC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004611311	0	34	-1.0	-44.10	300.36	1.95	-42.15
CC1=C([N+](=O)[O-])C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1	REAL250004611311	1	34	-1.0	-55.09	298.01	2.56	-52.53
CC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004611311	1	34	-1.0	-44.11	300.42	1.96	-42.15
CC1=C([N+](=O)[O-])C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1	REAL250004611311	1	34	-1.0	-55.12	298.07	2.58	-52.54
CC(CN(C)C(=O)C1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004611312	0	35	-1.0	-45.76	302.32	4.23	-41.53
CC(CN(C)C(=O)C1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004611312	1	35	-1.0	-45.71	302.38	4.24	-41.47
C=CCCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611313	0	39	-1.0	-49.82	313.97	4.28	-45.54
C=CCCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611313	1	39	-1.0	-49.83	314.03	4.30	-45.53
CC(CN(C)C(=O)C1(C(=O)NC2CC2)CC1)C1=N[N-]N=N1	REAL250004611314	0	40	-1.0	-40.42	329.26	2.43	-37.99
CC(CN(C)C(=O)C1(C(=O)NC2CC2)CC1)C1=NN=N[N-]1	REAL250004611314	1	40	-1.0	-40.43	329.31	2.45	-37.98
CC1=C2OC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004611315	0	38	-1.0	-42.09	315.76	5.58	-36.51
CC1=C2OC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004611315	1	38	-1.0	-42.11	315.82	5.59	-36.52
CC(CN(C)C(=O)C1=C(C2CC2)N(C)N=C1)C1=N[N-]N=N1	REAL250004611316	0	39	-1.0	-44.60	311.39	3.56	-41.04
CC(CN(C)C(=O)C1=C(C2CC2)N(C)N=C1)C1=NN=N[N-]1	REAL250004611316	1	39	-1.0	-44.57	311.45	3.57	-41.00
CC(CN(C)C(=O)C1=CC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL250004611317	0	33	-1.0	-45.63	290.11	-0.21	-45.84
CC(CN(C)C(=O)C1=CC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL250004611317	1	33	-1.0	-45.66	290.17	-0.19	-45.85
CC(CN(C)C(=O)C1=CC(N(C)C)=CC=N1)C1=N[N-]N=N1	REAL250004611318	0	39	-1.0	-44.30	311.54	3.73	-40.57
CC(CN(C)C(=O)C1=CC(N(C)C)=CC=N1)C1=NN=N[N-]1	REAL250004611318	1	39	-1.0	-44.32	311.59	3.75	-40.57
CC(CN(C)C(=O)C1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL250004611319	0	37	-1.0	-44.28	299.98	3.32	-40.96
CC(CN(C)C(=O)C1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL250004611319	1	37	-1.0	-44.36	300.04	3.34	-41.02
CC(CN(C)C(=O)C1=CN2C=NN=C2C=C1)C1=NN=N[N-]1	REAL250004611320	0	34	-1.0	-48.73	283.54	5.35	-43.38
CC(CN(C)C(=O)C1=CN2C=NN=C2C=C1)C1=N[N-]N=N1	REAL250004611320	1	34	-1.0	-48.72	283.48	5.33	-43.39
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)OC1(C)C	REAL250004611322	0	39	-1.0	-57.86	325.24	4.31	-53.55
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)OC1(C)C	REAL250004611322	1	39	-1.0	-57.82	325.30	4.33	-53.49
CC(CN(C)C(=O)C=CC1=CSC=N1)C1=N[N-]N=N1	REAL250004611323	0	32	-1.0	-47.61	285.89	2.79	-44.82
CC(CN(C)C(=O)C=CC1=CSC=N1)C1=NN=N[N-]1	REAL250004611323	1	32	-1.0	-47.66	285.94	2.81	-44.85
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611324	0	37	-1.0	-45.81	308.88	3.23	-42.58
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611324	1	37	-1.0	-45.80	308.93	3.24	-42.56
CC(CN(C)C(=O)C(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004611325	0	34	-1.0	-45.54	289.18	2.11	-43.43
CC(CN(C)C(=O)C(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004611325	1	34	-1.0	-45.48	289.24	2.12	-43.36
CC(CN(C)C(=O)CCN1CCOCC1)C1=N[N-]N=N1	REAL250004611326	0	41	-1.0	-43.77	318.52	0.60	-43.17
CC(CN(C)C(=O)CCN1CCOCC1)C1=NN=N[N-]1	REAL250004611326	1	41	-1.0	-43.71	318.57	0.62	-43.09
CC1=NOC(Cl)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611327	0	34	-1.0	-49.26	303.18	3.70	-45.56
CC1=NOC(Cl)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611327	1	34	-1.0	-49.26	303.24	3.71	-45.55
CC(CN(C)C(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004611328	0	37	-1.0	-47.08	306.01	4.14	-42.94
CC(CN(C)C(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004611328	1	37	-1.0	-47.07	306.06	4.15	-42.92
CC(CN(C)C(=O)CC(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004611329	0	47	-1.0	-46.14	345.11	6.50	-39.64
CC(CN(C)C(=O)CC(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004611329	1	47	-1.0	-46.14	345.17	6.51	-39.63
CC(CN(C)C(=O)C1=CC(N)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004611330	0	33	-1.0	-41.28	290.95	1.45	-39.83
CC(CN(C)C(=O)C1=CC(N)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004611330	1	33	-1.0	-41.24	290.89	1.43	-39.81
CC(CN(C)C(=O)CCN1C=CN=C1)C1=N[N-]N=N1	REAL250004611331	0	35	-1.0	-46.69	292.30	4.69	-42.00
CC(CN(C)C(=O)CCN1C=CN=C1)C1=NN=N[N-]1	REAL250004611331	1	35	-1.0	-46.68	292.36	4.70	-41.98
CC(CN(C)C(=O)C1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL250004611332	0	35	-1.0	-44.24	294.72	-0.99	-45.23
CC(CN(C)C(=O)C1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL250004611332	1	35	-1.0	-44.31	294.67	-1.00	-45.31
CCCC1=NNC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611333	0	38	-1.0	-45.74	307.40	2.58	-43.16
CCCC1=NNC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611333	1	38	-1.0	-45.76	307.46	2.60	-43.16
CC(CN(C)C(=O)C1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004611334	0	32	-1.0	-42.17	274.02	3.41	-38.76
CC(CN(C)C(=O)C1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004611334	1	32	-1.0	-42.12	274.08	3.42	-38.70
CC(CN(C)C(=O)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004611335	0	35	-1.0	-52.25	293.30	2.92	-49.33
CC(CN(C)C(=O)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004611335	1	35	-1.0	-52.25	293.24	2.91	-49.34
CCN1N=C(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611336	0	38	-1.0	-45.22	305.12	3.30	-41.92
CCN1N=C(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611336	1	38	-1.0	-45.25	305.18	3.31	-41.94
CC(CN(C)C(=O)COC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004611337	0	35	-1.0	-51.14	294.28	3.27	-47.87
CC(CN(C)C(=O)COC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004611337	1	35	-1.0	-51.11	294.22	3.25	-47.86
CC(CN(C)C(=O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004611338	0	41	-1.0	-46.08	297.47	4.81	-41.27
CC(CN(C)C(=O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004611338	1	41	-1.0	-46.05	297.53	4.82	-41.23
CC(CN(C)C(=O)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004611339	0	32	-1.0	-53.86	276.30	4.19	-49.67
CC(CN(C)C(=O)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004611339	1	32	-1.0	-53.87	276.35	4.20	-49.67
CC(CN(C)C(=O)C1(C)CCOCC1)C1=N[N-]N=N1	REAL250004611340	0	39	-1.0	-43.67	286.74	2.14	-41.53
CC(CN(C)C(=O)C1(C)CCOCC1)C1=NN=N[N-]1	REAL250004611340	1	39	-1.0	-43.71	286.80	2.16	-41.55
CC(CN(C)C(=O)C1(C)CCCC1)C1=N[N-]N=N1	REAL250004611341	0	38	-1.0	-47.47	282.50	4.09	-43.38
CC(CN(C)C(=O)C1(C)CCCC1)C1=NN=N[N-]1	REAL250004611341	1	38	-1.0	-47.51	282.55	4.11	-43.40
CCN1N=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004611342	0	41	-1.0	-47.91	335.43	3.97	-43.94
CCN1N=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004611342	1	41	-1.0	-47.92	335.49	3.98	-43.94
CC(CN(C)C(=O)CC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004611343	0	44	-1.0	-46.69	324.07	5.78	-40.91
CC(CN(C)C(=O)CC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004611343	1	44	-1.0	-46.66	324.12	5.79	-40.87
CC(CN(C)C(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004611344	0	36	-1.0	-49.62	311.24	5.50	-44.12
CC(CN(C)C(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004611344	1	36	-1.0	-49.62	311.29	5.51	-44.11
CC(CN(C)C(=O)C1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004611345	0	35	-1.0	-43.26	295.43	4.94	-38.32
CC(CN(C)C(=O)C1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004611345	1	35	-1.0	-43.26	295.49	4.96	-38.30
CC1=CC=CC=C1C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611346	0	42	-1.0	-43.09	326.93	6.36	-36.73
CC1=CC=CC=C1C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611346	1	42	-1.0	-43.09	326.99	6.38	-36.71
CC(CN(C)C(=O)C1=C2C=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004611347	0	39	-1.0	-49.26	319.28	5.82	-43.44
CC(CN(C)C(=O)C1=C2C=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004611347	1	39	-1.0	-49.24	319.34	5.84	-43.40
CC(C)C1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004611348	0	37	-1.0	-45.38	313.49	4.05	-41.33
CC(C)C1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004611348	1	37	-1.0	-45.37	313.55	4.06	-41.31
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C2NN=CC2=C1	REAL250004611349	0	38	-1.0	-50.71	313.60	3.46	-47.25
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C2NN=CC2=C1	REAL250004611349	1	38	-1.0	-50.70	313.66	3.47	-47.23
CC1=CC2=CNN=C2C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611349	1	38	-1.0	-55.44	313.91	3.51	-51.93
CC1=CC2=CNN=C2C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611349	1	38	-1.0	-55.44	313.96	3.52	-51.92
CC(CN(C)C(=O)C(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004611350	0	41	-1.0	-43.73	306.96	0.25	-43.48
CC(CN(C)C(=O)C(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004611350	1	41	-1.0	-43.72	307.02	0.27	-43.45
CC1=NC=CN1CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611351	0	41	-1.0	-55.05	333.55	5.29	-49.76
CC1=NC=CN1CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611351	1	41	-1.0	-55.06	333.61	5.30	-49.76
CC(=O)NC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611352	0	38	-1.0	-46.90	293.94	1.45	-45.45
CC(=O)NC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611352	1	38	-1.0	-46.92	294.00	1.46	-45.46
CC(CN(C)C(=O)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004611353	0	35	-1.0	-47.83	307.15	5.62	-42.21
CC(CN(C)C(=O)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004611353	1	35	-1.0	-47.81	307.21	5.64	-42.17
CCCC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611354	0	40	-1.0	-46.31	308.36	4.90	-41.41
CCCC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611354	1	40	-1.0	-46.33	308.42	4.92	-41.41
CC1=NOC(C)=C1C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611356	0	40	-1.0	-51.43	313.48	4.00	-47.43
CC1=NOC(C)=C1C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611356	1	40	-1.0	-51.40	313.54	4.01	-47.39
CC1=CC=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611357	0	38	-1.0	-48.11	311.84	5.78	-42.33
CC1=CC=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611357	1	38	-1.0	-48.10	311.89	5.80	-42.30
CCSC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611358	0	41	-1.0	-48.96	319.23	5.26	-43.70
CCSC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611358	1	41	-1.0	-48.96	319.28	5.28	-43.68
CC(C)CC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611359	0	43	-1.0	-46.01	325.72	5.45	-40.56
CC(C)CC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611359	1	43	-1.0	-46.03	325.78	5.47	-40.56
CCCCCCC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611360	0	49	-1.0	-46.24	372.85	7.25	-38.99
CCCCCCC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611360	1	49	-1.0	-46.24	372.91	7.26	-38.98
CNC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611361	0	36	-1.0	-40.74	297.77	0.75	-39.99
CNC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611361	1	36	-1.0	-40.77	297.83	0.77	-40.00
CC1=CC=C(F)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611362	0	35	-1.0	-47.02	293.14	4.81	-42.21
CC1=CC=C(F)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611362	1	35	-1.0	-47.04	293.20	4.83	-42.21
CC(CN(C)C(=O)CCN1CCCC1=O)C1=N[N-]N=N1	REAL250004611363	0	39	-1.0	-52.46	316.49	3.19	-49.27
CC(CN(C)C(=O)CCN1CCCC1=O)C1=NN=N[N-]1	REAL250004611363	1	39	-1.0	-52.51	316.54	3.21	-49.30
CC1=CC=C(C)C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611364	0	41	-1.0	-48.23	328.98	6.31	-41.92
CC1=CC=C(C)C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611364	1	41	-1.0	-48.20	329.04	6.32	-41.88
CC(CN(C)C(=O)C1CCCOC1)C1=N[N-]N=N1	REAL250004611365	0	36	-1.0	-41.88	277.45	2.00	-39.88
CC(CN(C)C(=O)C1CCCOC1)C1=NN=N[N-]1	REAL250004611365	1	36	-1.0	-41.91	277.51	2.02	-39.89
CC(CN(C)C(=O)C1=C(C(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL250004611366	0	35	-1.0	-53.01	296.50	2.52	-50.49
CC(CN(C)C(=O)C1=C(C(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL250004611366	1	35	-1.0	-52.99	296.56	2.54	-50.45
CC(C)CCC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611367	0	44	-1.0	-44.51	349.94	2.62	-41.89
CC(C)CCC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611367	1	44	-1.0	-44.53	350.00	2.64	-41.89
CC(CN(C)C(=O)C1(C(N)=O)CC1)C1=N[N-]N=N1	REAL250004611368	0	33	-1.0	-40.34	275.64	-0.73	-41.07
CC(CN(C)C(=O)C1(C(N)=O)CC1)C1=NN=N[N-]1	REAL250004611368	1	33	-1.0	-40.35	275.70	-0.71	-41.06
CC(CN(C)C(=O)C1=CSC=N1)C1=NN=N[N-]1	REAL250004611369	0	28	-1.0	-43.87	249.41	2.07	-41.80
CC(CN(C)C(=O)C1=CSC=N1)C1=N[N-]N=N1	REAL250004611369	1	28	-1.0	-43.86	249.35	2.06	-41.80
CCNC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611370	0	41	-1.0	-59.43	333.00	2.06	-57.37
CCNC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611370	1	41	-1.0	-59.47	333.06	2.08	-57.39
CCNC(=O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611371	0	38	-1.0	-45.96	311.51	1.28	-44.68
CCNC(=O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611371	1	38	-1.0	-45.93	311.56	1.30	-44.63
CCCNC(=O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611372	0	41	-1.0	-45.71	333.00	2.05	-43.66
CCCNC(=O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611372	1	41	-1.0	-45.68	333.06	2.06	-43.62
CCCNC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611373	0	44	-1.0	-59.30	354.50	2.83	-56.47
CCCNC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611373	1	44	-1.0	-59.33	354.56	2.83	-56.50
CC(C)NC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611374	0	44	-1.0	-59.55	353.63	2.87	-56.68
CC(C)NC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611374	1	44	-1.0	-59.55	353.69	2.88	-56.67
CC(CN(C)C(=O)C1(C(N)=O)CCC1)C1=N[N-]N=N1	REAL250004611375	0	36	-1.0	-39.97	287.18	-0.37	-40.34
CC(CN(C)C(=O)C1(C(N)=O)CCC1)C1=NN=N[N-]1	REAL250004611375	1	36	-1.0	-39.94	287.24	-0.35	-40.29
CC(CN(C)C(=O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004611376	0	32	-1.0	-40.13	282.99	4.21	-35.92
CC(CN(C)C(=O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004611376	1	32	-1.0	-40.11	283.05	4.22	-35.89
CCC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611377	0	35	-1.0	-44.87	289.37	0.57	-44.30
CCC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611377	1	35	-1.0	-44.90	289.43	0.58	-44.32
CC(CN(C)C(=O)CN1C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004611378	0	38	-1.0	-61.45	317.46	4.76	-56.69
CC(CN(C)C(=O)CN1C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004611378	1	38	-1.0	-61.44	317.40	4.74	-56.70
CNC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611379	0	39	-1.0	-40.28	309.39	1.06	-39.22
CNC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611379	1	39	-1.0	-40.26	309.45	1.07	-39.19
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004611380	0	33	-1.0	-48.45	282.29	3.04	-45.41
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004611380	1	33	-1.0	-48.45	282.35	3.05	-45.40
CC(CN(C)C(=O)C1(C#N)CCOCC1)C1=N[N-]N=N1	REAL250004611381	0	37	-1.0	-40.52	290.97	1.57	-38.95
CC(CN(C)C(=O)C1(C#N)CCOCC1)C1=NN=N[N-]1	REAL250004611381	1	37	-1.0	-40.60	291.03	1.59	-39.01
CC(CN(C)C(=O)C1=CN2C=CN=C2C=C1)C1=N[N-]N=N1	REAL250004611382	0	35	-1.0	-46.58	297.41	4.82	-41.76
CC(CN(C)C(=O)C1=CN2C=CN=C2C=C1)C1=NN=N[N-]1	REAL250004611382	1	35	-1.0	-46.59	297.47	4.84	-41.75
CC1=CC=C(C(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004611383	0	41	-1.0	-48.09	322.85	6.05	-42.04
CC1=CC=C(C(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004611383	1	41	-1.0	-48.10	322.91	6.06	-42.04
CC(CN(C)C(=O)CNCC(F)(F)F)C1=N[N-]N=N1	REAL250004611384	0	33	-1.0	-49.70	287.48	0.69	-49.01
CC(CN(C)C(=O)CNCC(F)(F)F)C1=NN=N[N-]1	REAL250004611384	1	33	-1.0	-49.71	287.54	0.71	-49.00
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1Cl	REAL250004611385	0	35	-1.0	-47.88	299.35	5.15	-42.73
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1Cl	REAL250004611385	1	35	-1.0	-47.84	299.40	5.17	-42.67
COCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611386	0	36	-1.0	-53.31	298.61	1.72	-51.59
COCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611386	1	36	-1.0	-53.28	298.66	1.73	-51.55
CC(C)C1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN1	REAL250004611387	0	38	-1.0	-47.03	308.50	3.58	-43.45
CC(C)C1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN1	REAL250004611387	1	38	-1.0	-47.05	308.56	3.59	-43.46
CC(CN(C)C(=O)C1=CN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL250004611388	0	36	-1.0	-49.79	296.23	5.71	-44.08
CC(CN(C)C(=O)C1=CN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL250004611388	1	36	-1.0	-49.77	296.29	5.72	-44.05
CC(CN(C)C(=O)CN(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL250004611389	0	39	-1.0	-53.95	318.70	3.64	-50.31
CC(CN(C)C(=O)CN(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL250004611389	1	39	-1.0	-53.97	318.76	3.66	-50.31
COCC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611390	0	39	-1.0	-60.68	324.23	0.61	-60.07
COCC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611390	1	39	-1.0	-60.68	324.28	0.63	-60.05
CC(CN(C)C(=O)CSCC(N)=O)C1=N[N-]N=N1	REAL250004611391	0	33	-1.0	-59.81	290.95	-0.45	-60.26
CC(CN(C)C(=O)CSCC(N)=O)C1=NN=N[N-]1	REAL250004611391	1	33	-1.0	-59.81	291.01	-0.43	-60.24
CC1=NON=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611392	0	30	-1.0	-36.94	256.25	1.94	-35.00
CC1=NON=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611392	1	30	-1.0	-36.91	256.30	1.96	-34.95
CC(CN(C)C(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL250004611394	0	32	-1.0	-45.84	287.78	4.50	-41.34
CC(CN(C)C(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL250004611394	1	32	-1.0	-45.88	287.84	4.51	-41.37
CC(CN(C)C(=O)CN1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004611396	0	37	-1.0	-54.20	307.97	0.55	-53.65
CC(CN(C)C(=O)CN1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004611396	1	37	-1.0	-54.15	308.03	0.57	-53.58
CC(CN(C)C(=O)C1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004611397	0	35	-1.0	-48.31	292.56	3.84	-44.47
CC(CN(C)C(=O)C1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004611397	1	35	-1.0	-48.33	292.50	3.83	-44.50
C#CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004611399	0	33	-1.0	-42.86	287.33	4.50	-38.36
C#CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004611399	1	33	-1.0	-42.87	287.39	4.51	-38.36
CC(CN(C)C(=O)C1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004611400	0	35	-1.0	-49.26	297.29	5.01	-44.25
CC(CN(C)C(=O)C1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004611400	1	35	-1.0	-49.22	297.35	5.02	-44.20
CC(CN(C)C(=O)CC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004611401	0	36	-1.0	-50.50	291.63	0.82	-49.68
CC(CN(C)C(=O)CC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004611401	1	36	-1.0	-50.52	291.68	0.84	-49.68
CC(CN(C)C(=O)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611402	0	39	-1.0	-44.89	313.00	6.04	-38.85
CC(CN(C)C(=O)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611402	1	39	-1.0	-44.91	313.06	6.06	-38.85
CC(CN(C)C(=O)CN1N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611403	0	38	-1.0	-53.70	319.18	4.68	-49.02
CC(CN(C)C(=O)CN1N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611403	1	38	-1.0	-53.70	319.12	4.66	-49.04
CC(CN(C)C(=O)[C@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004611404	0	33	-1.0	-50.75	271.03	-0.06	-50.81
CC(CN(C)C(=O)[C@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004611404	1	33	-1.0	-50.70	271.08	-0.04	-50.74
CC1=CC=CC=C1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611405	0	41	-1.0	-46.05	327.16	6.40	-39.65
CC1=CC=CC=C1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611405	1	41	-1.0	-46.05	327.22	6.41	-39.64
COC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611407	0	36	-1.0	-54.12	302.04	-0.16	-54.28
COC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611407	1	36	-1.0	-54.12	302.10	-0.15	-54.27
CC(CN(C)C(=O)C1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004611408	0	31	-1.0	-41.35	264.22	2.12	-39.23
CC(CN(C)C(=O)C1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004611408	1	31	-1.0	-41.32	264.16	2.10	-39.22
CC(CN(C)C(=O)C1=CC2=C(C=CS2)N1)C1=N[N-]N=N1	REAL250004611409	0	33	-1.0	-47.39	285.38	3.70	-43.69
CC(CN(C)C(=O)C1=CC2=C(C=CS2)N1)C1=NN=N[N-]1	REAL250004611409	1	33	-1.0	-47.41	285.44	3.71	-43.70
COC(=O)NC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611410	0	39	-1.0	-44.30	304.75	0.94	-43.36
COC(=O)NC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611410	1	39	-1.0	-44.29	304.81	0.95	-43.34
CC(CN(C)C(=O)CCCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004611411	0	40	-1.0	-53.19	327.50	4.92	-48.27
CC(CN(C)C(=O)CCCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004611411	1	40	-1.0	-53.19	327.56	4.94	-48.25
CC(CN(C)C(=O)C1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004611412	0	36	-1.0	-49.40	295.28	4.08	-45.32
CC(CN(C)C(=O)C1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004611412	1	36	-1.0	-49.42	295.33	4.10	-45.32
COC(=O)NCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611413	0	39	-1.0	-49.79	323.54	0.64	-49.15
COC(=O)NCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611413	1	39	-1.0	-49.78	323.59	0.66	-49.12
CC(CN(C)C(=O)C(C)N1CCN(C)CC1)C1=N[N-]N=N1	REAL250004611414	0	45	-1.0	-43.84	332.26	0.14	-43.70
CC(CN(C)C(=O)C(C)N1CCN(C)CC1)C1=NN=N[N-]1	REAL250004611414	1	45	-1.0	-43.85	332.31	0.15	-43.70
COC(=O)N(C)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611415	0	42	-1.0	-55.15	343.18	3.23	-51.92
COC(=O)N(C)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611415	1	42	-1.0	-55.20	343.24	3.25	-51.95
CC(CN(C)C(=O)C1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL250004611417	0	35	-1.0	-59.46	294.41	3.02	-56.44
CC(CN(C)C(=O)C1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL250004611417	1	35	-1.0	-59.47	294.47	3.04	-56.43
CSC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004611418	0	33	-1.0	-46.17	291.72	3.96	-42.21
CSC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004611418	1	33	-1.0	-46.21	291.78	3.97	-42.24
CC1=NNC(C)=C1C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611419	0	41	-1.0	-51.52	316.19	2.80	-48.72
CC1=NNC(C)=C1C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611419	1	41	-1.0	-51.50	316.13	2.78	-48.72
C#CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611420	0	33	-1.0	-46.10	286.16	3.33	-42.77
C#CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611420	1	33	-1.0	-46.11	286.21	3.35	-42.76
CC(CN(C)C(=O)CC1=CCCCC1)C1=N[N-]N=N1	REAL250004611421	0	39	-1.0	-43.32	306.15	5.34	-37.98
CC(CN(C)C(=O)CC1=CCCCC1)C1=NN=N[N-]1	REAL250004611421	1	39	-1.0	-43.29	306.20	5.36	-37.93
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611422	0	43	-1.0	-46.58	318.05	5.09	-41.49
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611422	1	43	-1.0	-46.59	318.11	5.12	-41.47
CC(CN(C)C(=O)C1=CN=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004611423	0	35	-1.0	-46.49	300.91	3.60	-42.89
CC(CN(C)C(=O)C1=CN=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004611423	1	35	-1.0	-46.45	300.97	3.62	-42.83
CC(CN(C)C(=O)CCCC(C)(C)C)C1=N[N-]N=N1	REAL250004611424	0	43	-1.0	-46.72	328.64	5.37	-41.35
CC(CN(C)C(=O)CCCC(C)(C)C)C1=NN=N[N-]1	REAL250004611424	1	43	-1.0	-46.69	328.70	5.38	-41.31
CC(=O)C1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611425	0	34	-1.0	-52.05	296.54	3.47	-48.58
CC(=O)C1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611425	1	34	-1.0	-52.05	296.60	3.49	-48.56
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1F	REAL250004611426	0	35	-1.0	-45.74	289.08	4.76	-40.98
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1F	REAL250004611426	1	35	-1.0	-45.79	289.14	4.77	-41.02
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=NN1C	REAL250004611427	0	39	-1.0	-46.99	327.90	1.46	-45.53
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=NN1C	REAL250004611427	1	39	-1.0	-46.93	327.96	1.48	-45.45
CC(CN(C)C(=O)COCC1CCCO1)C1=N[N-]N=N1	REAL250004611428	0	40	-1.0	-54.75	322.03	2.94	-51.81
CC(CN(C)C(=O)COCC1CCCO1)C1=NN=N[N-]1	REAL250004611428	1	40	-1.0	-54.74	322.08	2.96	-51.78
CC(CN(C)C(=O)C1COC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611429	0	37	-1.0	-44.65	301.44	3.99	-40.66
CC(CN(C)C(=O)C1COC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611429	1	37	-1.0	-44.68	301.50	4.00	-40.68
CC(CN(C)C(=O)C1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004611430	0	35	-1.0	-47.36	293.22	4.55	-42.81
CC(CN(C)C(=O)C1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004611430	1	35	-1.0	-47.33	293.27	4.56	-42.77
COC(=O)N[C@H](C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611431	0	42	-1.0	-44.03	326.97	0.91	-43.12
COC(=O)N[C@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611431	1	42	-1.0	-44.03	327.03	0.93	-43.10
CC(CN(C)C(=O)C=CC1CCOCC1)C1=N[N-]N=N1	REAL250004611432	0	40	-1.0	-48.06	317.63	3.62	-44.44
CC(CN(C)C(=O)C=CC1CCOCC1)C1=NN=N[N-]1	REAL250004611432	1	40	-1.0	-48.08	317.69	3.63	-44.45
CC(CN(C)C(=O)C1=CC=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004611433	0	37	-1.0	-43.58	307.76	4.76	-38.82
CC(CN(C)C(=O)C1=CC=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004611433	1	37	-1.0	-43.54	307.82	4.77	-38.77
CC(CN(C)C(=O)CCCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004611434	0	37	-1.0	-63.14	315.55	0.45	-62.69
CC(CN(C)C(=O)CCCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004611434	1	37	-1.0	-63.12	315.60	0.47	-62.65
CC1=NN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611435	0	35	-1.0	-50.68	286.89	2.41	-48.27
CC1=NN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611435	1	35	-1.0	-50.65	286.95	2.42	-48.23
CSC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611436	0	33	-1.0	-44.10	290.82	3.73	-40.37
CSC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611436	1	33	-1.0	-44.14	290.87	3.74	-40.40
CC(CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611437	0	41	-1.0	-46.07	322.29	6.10	-39.97
CC(CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611437	1	41	-1.0	-46.07	322.34	6.11	-39.96
CCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611438	0	35	-1.0	-47.79	288.23	2.68	-45.11
CCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611438	1	35	-1.0	-47.76	288.17	2.66	-45.10
COC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611439	0	34	-1.0	-45.03	285.79	-1.30	-46.33
COC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611439	1	34	-1.0	-45.03	285.74	-1.31	-46.34
CCCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611440	0	38	-1.0	-50.12	307.98	4.05	-46.07
CCCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611440	1	38	-1.0	-50.12	308.04	4.07	-46.05
CC(CN(C)C(=O)C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004611441	0	36	-1.0	-39.90	286.01	3.27	-36.63
CC(CN(C)C(=O)C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004611441	1	36	-1.0	-39.87	286.07	3.29	-36.58
CC(CN(C)C(=O)CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004611443	0	34	-1.0	-50.67	302.19	3.77	-46.90
CC(CN(C)C(=O)CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004611443	1	34	-1.0	-50.68	302.14	3.75	-46.93
CCN1N=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CC1=O	REAL250004611444	0	37	-1.0	-41.52	306.46	2.73	-38.79
CCN1N=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CC1=O	REAL250004611444	1	37	-1.0	-41.49	306.52	2.75	-38.74
CC(CN(C)C(=O)C1CCCCN1C)C1=NN=N[N-]1	REAL250004611445	1	40	-1.0	-43.02	301.12	2.06	-40.96
CC(CN(C)C(=O)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611446	0	36	-1.0	-47.34	288.81	2.71	-44.63
CC(CN(C)C(=O)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611446	1	36	-1.0	-47.35	288.87	2.73	-44.62
CCCCCC(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611447	0	44	-1.0	-50.78	347.07	3.59	-47.19
CCCCCC(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611447	1	44	-1.0	-50.78	347.13	3.61	-47.17
CC(CN(C)C(=O)COC1CCCCC1C)C1=N[N-]N=N1	REAL250004611448	0	45	-1.0	-50.77	344.62	5.89	-44.88
CC(CN(C)C(=O)COC1CCCCC1C)C1=NN=N[N-]1	REAL250004611448	1	45	-1.0	-50.76	344.67	5.91	-44.85
CC(CN(C)C(=O)CC1CCOCC1)C1=N[N-]N=N1	REAL250004611449	0	39	-1.0	-46.71	301.32	3.00	-43.71
CC(CN(C)C(=O)CC1CCOCC1)C1=NN=N[N-]1	REAL250004611449	1	39	-1.0	-46.69	301.38	3.01	-43.68
CC1=NC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611450	0	34	-1.0	-46.96	278.52	2.92	-44.04
CC1=NC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611450	1	34	-1.0	-46.95	278.58	2.94	-44.01
COC(=O)NC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611451	0	42	-1.0	-44.03	326.20	1.08	-42.95
COC(=O)NC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611451	1	42	-1.0	-44.04	326.26	1.10	-42.94
CSCC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611452	0	35	-1.0	-44.49	289.79	3.74	-40.75
CSCC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611452	1	35	-1.0	-44.42	289.85	3.75	-40.67
CC(CN(C)C(=O)C(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004611453	0	38	-1.0	-46.44	306.48	5.39	-41.05
CC(CN(C)C(=O)C(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004611453	1	38	-1.0	-46.40	306.54	5.41	-40.99
CC1=CC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN1	REAL250004611454	0	35	-1.0	-67.65	297.17	2.55	-65.10
CC1=CC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN1	REAL250004611454	1	35	-1.0	-67.62	297.23	2.56	-65.06
COC1=CC=CC(F)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611455	0	36	-1.0	-52.68	305.24	3.63	-49.05
COC1=CC=CC(F)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611455	1	36	-1.0	-52.68	305.29	3.64	-49.04
CC(CN(C)C(=O)C1=CC=C(NC=O)C=C1)C1=N[N-]N=N1	REAL250004611456	0	36	-1.0	-49.52	296.51	2.24	-47.28
CC(CN(C)C(=O)C1=CC=C(NC=O)C=C1)C1=NN=N[N-]1	REAL250004611456	1	36	-1.0	-49.54	296.57	2.26	-47.28
CC1=CC=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611457	0	34	-1.0	-45.26	278.54	2.91	-42.35
CC1=CC=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611457	1	34	-1.0	-45.26	278.60	2.92	-42.34
CC(CN(C)C(=O)C1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004611458	0	40	-1.0	-40.67	325.09	4.70	-35.97
CC(CN(C)C(=O)C1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004611458	1	40	-1.0	-40.67	325.04	4.69	-35.98
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL250004611459	0	39	-1.0	-43.60	308.48	3.86	-39.74
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL250004611459	1	39	-1.0	-43.62	308.54	3.87	-39.75
CCN1CCOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004611460	0	41	-1.0	-44.64	315.45	1.41	-43.23
CCN1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611460	1	41	-1.0	-44.69	315.51	1.43	-43.26
CC(CN(C)C(=O)C1=C(F)C=C(F)C=C1F)C1=N[N-]N=N1	REAL250004611461	0	32	-1.0	-42.98	288.44	4.40	-38.58
CC(CN(C)C(=O)C1=C(F)C=C(F)C=C1F)C1=NN=N[N-]1	REAL250004611461	1	32	-1.0	-43.01	288.50	4.41	-38.60
CC(CN(C)C(=O)C1CCCC(C)C1)C1=N[N-]N=N1	REAL250004611462	0	41	-1.0	-42.81	308.37	5.07	-37.74
CC(CN(C)C(=O)C1CCCC(C)C1)C1=NN=N[N-]1	REAL250004611462	1	41	-1.0	-42.82	308.43	5.09	-37.73
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1CCCC1=O	REAL250004611463	0	42	-1.0	-54.17	324.53	4.76	-49.41
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1CCCC1=O	REAL250004611463	1	42	-1.0	-54.22	324.59	4.77	-49.45
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CO1	REAL250004611464	0	37	-1.0	-42.83	301.52	2.23	-40.60
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CO1	REAL250004611464	1	37	-1.0	-42.79	301.46	2.22	-40.57
CC(CN(C)C(=O)CCCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004611465	0	41	-1.0	-59.90	328.88	3.19	-56.71
CC(CN(C)C(=O)CCCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004611465	1	41	-1.0	-59.88	328.94	3.21	-56.67
CC1=NN(C)C=C1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611466	0	41	-1.0	-49.28	334.79	4.23	-45.05
CC1=NN(C)C=C1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611466	1	41	-1.0	-49.24	334.85	4.25	-44.99
CC1=NC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004611467	0	37	-1.0	-46.68	318.07	3.64	-43.04
CC1=NC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004611467	1	37	-1.0	-46.65	318.13	3.65	-43.00
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004611468	0	42	-1.0	-45.01	337.01	6.95	-38.06
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004611468	1	42	-1.0	-44.99	337.07	6.96	-38.03
CC(CN(C)C(=O)COC1CCOCC1)C1=N[N-]N=N1	REAL250004611469	0	40	-1.0	-52.02	318.09	2.75	-49.27
CC(CN(C)C(=O)COC1CCOCC1)C1=NN=N[N-]1	REAL250004611469	1	40	-1.0	-52.02	318.14	2.77	-49.25
CCCCC(CC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611470	0	46	-1.0	-46.58	347.97	6.32	-40.26
CCCCC(CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611470	1	46	-1.0	-46.60	348.01	6.33	-40.27
CC(CN(C)C(=O)CC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611471	0	42	-1.0	-45.57	327.83	6.88	-38.69
CC(CN(C)C(=O)CC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611471	1	42	-1.0	-45.57	327.89	6.89	-38.68
CC(CN(C)C(=O)COC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004611472	0	45	-1.0	-46.80	345.42	5.78	-41.02
CC(CN(C)C(=O)COC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004611472	1	45	-1.0	-46.78	345.47	5.79	-40.99
CC(CN(C)C(=O)C(C)NS(C)(=O)=O)C1=N[N-]N=N1	REAL250004611473	0	36	-1.0	-58.21	297.49	-2.10	-60.31
CC(CN(C)C(=O)C(C)NS(C)(=O)=O)C1=NN=N[N-]1	REAL250004611473	1	36	-1.0	-58.20	297.55	-2.09	-60.29
CC(CN(C)C(=O)C1CCSCC1)C1=N[N-]N=N1	REAL250004611474	0	36	-1.0	-46.62	291.38	4.21	-42.41
CC(CN(C)C(=O)C1CCSCC1)C1=NN=N[N-]1	REAL250004611474	1	36	-1.0	-46.67	291.44	4.22	-42.45
CC(C)N1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611475	0	38	-1.0	-45.18	308.83	3.86	-41.32
CC(C)N1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611475	1	38	-1.0	-45.20	308.77	3.85	-41.35
CC(CC1CCCCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611476	0	47	-1.0	-35.18	340.50	6.11	-29.07
CC(CC1CCCCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611476	1	47	-1.0	-35.16	340.56	6.13	-29.03
CC(CN(C)C(=O)CC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004611477	0	44	-1.0	-46.88	324.06	5.78	-41.10
CC(CN(C)C(=O)CC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004611477	1	44	-1.0	-46.90	324.12	5.80	-41.10
CC(CN(C)C(=O)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004611478	0	40	-1.0	-45.34	292.70	4.19	-41.15
CC(CN(C)C(=O)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004611478	1	40	-1.0	-45.35	292.76	4.20	-41.15
CC1=NOC(COCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611479	0	37	-1.0	-57.54	316.47	1.11	-56.43
CC1=NOC(COCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611479	1	37	-1.0	-57.54	316.53	1.13	-56.41
CC(CC1CCCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611480	0	44	-1.0	-35.10	324.07	5.53	-29.57
CC(CC1CCCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611480	1	44	-1.0	-35.12	324.13	5.55	-29.57
CCC(CC1CCCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611481	0	47	-1.0	-46.59	345.15	6.35	-40.24
CCC(CC1CCCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611481	1	47	-1.0	-46.60	345.20	6.36	-40.24
CC(CN(C)C(=O)CCC1CCCCO1)C1=N[N-]N=N1	REAL250004611482	0	42	-1.0	-46.87	326.43	4.04	-42.83
CC(CN(C)C(=O)CCC1CCCCO1)C1=NN=N[N-]1	REAL250004611482	1	42	-1.0	-46.90	326.48	4.05	-42.85
CCC(OC1CCCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611483	0	45	-1.0	-50.39	338.88	5.53	-44.86
CCC(OC1CCCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611483	1	45	-1.0	-50.40	338.93	5.54	-44.86
CC(CN(C)C(=O)C(C)OC1CCCCC1)C1=N[N-]N=N1	REAL250004611484	0	45	-1.0	-46.24	341.85	5.54	-40.70
CC(CN(C)C(=O)C(C)OC1CCCCC1)C1=NN=N[N-]1	REAL250004611484	1	45	-1.0	-46.27	341.91	5.56	-40.71
CCC1=NC(C)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611485	0	39	-1.0	-43.73	315.80	3.33	-40.40
CCC1=NC(C)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611485	1	39	-1.0	-43.78	315.86	3.35	-40.43
CCCCCCC(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611486	0	49	-1.0	-47.21	364.77	6.73	-40.48
CCCCCCC(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611486	1	49	-1.0	-47.24	364.82	6.74	-40.50
CC(CN(C)C(=O)C(C)(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004611487	0	37	-1.0	-65.98	294.35	-0.13	-66.11
CC(CN(C)C(=O)C(C)(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004611487	1	37	-1.0	-65.99	294.40	-0.11	-66.10
CC(CN(C)C(=O)C1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004611488	0	32	-1.0	-42.57	280.99	3.73	-38.84
CC(CN(C)C(=O)C1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004611488	1	32	-1.0	-42.64	280.93	3.71	-38.93
CC(C)C1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611489	0	37	-1.0	-39.07	304.39	3.62	-35.45
CC(C)C1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611489	1	37	-1.0	-39.05	304.45	3.63	-35.42
CC(CN(C)C(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004611490	0	34	-1.0	-49.92	285.32	3.34	-46.58
CC(CN(C)C(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004611490	1	34	-1.0	-49.88	285.26	3.33	-46.55
CC1=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611492	0	34	-1.0	-50.68	286.35	3.30	-47.38
CC1=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611492	1	34	-1.0	-50.68	286.41	3.32	-47.36
CC(CN(C)C(=O)CC1(O)CCCCC1)C1=N[N-]N=N1	REAL250004611493	0	42	-1.0	-46.40	316.51	3.26	-43.14
CC(CN(C)C(=O)CC1(O)CCCCC1)C1=NN=N[N-]1	REAL250004611493	1	42	-1.0	-46.40	316.57	3.27	-43.13
CC(CN(C)C(=O)C1=CC=NC(N(C)C)=C1)C1=NN=N[N-]1	REAL250004611494	0	39	-1.0	-47.51	312.73	3.91	-43.60
CC(CN(C)C(=O)C1=CC=NC(N(C)C)=C1)C1=N[N-]N=N1	REAL250004611494	1	39	-1.0	-47.50	312.68	3.90	-43.60
CC(CN(C)C(=O)C(C)OC1CCCC1)C1=N[N-]N=N1	REAL250004611495	0	42	-1.0	-50.47	327.06	5.06	-45.41
CC(CN(C)C(=O)C(C)OC1CCCC1)C1=NN=N[N-]1	REAL250004611495	1	42	-1.0	-50.47	327.11	5.07	-45.40
CC(CN(C)C(=O)C1CC2CCC1O2)C1=N[N-]N=N1	REAL250004611496	0	37	-1.0	-41.91	282.87	2.36	-39.55
CC(CN(C)C(=O)C1CC2CCC1O2)C1=NN=N[N-]1	REAL250004611496	1	37	-1.0	-41.88	282.92	2.38	-39.50
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC(C)=C1	REAL250004611497	0	36	-1.0	-52.53	303.78	3.93	-48.60
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC(C)=C1	REAL250004611497	1	36	-1.0	-52.55	303.83	3.95	-48.60
CC(CN(C)C(=O)C1=NC=CN=C1N)C1=NN=N[N-]1	REAL250004611498	0	32	-1.0	-43.89	273.28	-0.54	-44.43
CC(CN(C)C(=O)C1=NC=CN=C1N)C1=N[N-]N=N1	REAL250004611498	1	32	-1.0	-43.90	273.22	-0.55	-44.45
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=NN1CC	REAL250004611499	0	40	-1.0	-42.96	323.82	3.11	-39.85
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=NN1CC	REAL250004611499	1	40	-1.0	-42.94	323.88	3.13	-39.81
CC(CN(C)C(=O)C(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004611500	0	38	-1.0	-46.31	309.40	5.52	-40.79
CC(CN(C)C(=O)C(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004611500	1	38	-1.0	-46.33	309.46	5.54	-40.79
CC(=O)C1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611501	0	37	-1.0	-59.25	301.83	5.90	-53.35
CC(=O)C1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611501	1	37	-1.0	-59.26	301.89	5.91	-53.35
CC(CN(C)C(=O)C(=O)NC1CC1)C1=N[N-]N=N1	REAL250004611502	0	33	-1.0	-38.37	276.55	0.73	-37.64
CC(CN(C)C(=O)C(=O)NC1CC1)C1=NN=N[N-]1	REAL250004611502	1	33	-1.0	-38.34	276.61	0.74	-37.60
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=NN1C	REAL250004611503	0	34	-1.0	-43.37	280.53	1.53	-41.84
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=NN1C	REAL250004611503	1	34	-1.0	-43.43	280.59	1.55	-41.88
CC(CN(C)C(=O)C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL250004611504	0	35	-1.0	-36.25	289.55	4.32	-31.93
CC(CN(C)C(=O)C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL250004611504	1	35	-1.0	-36.26	289.61	4.35	-31.91
CC(CN(C)C(=O)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004611505	0	40	-1.0	-46.55	307.14	4.60	-41.95
CC(CN(C)C(=O)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004611505	1	40	-1.0	-46.57	307.20	4.61	-41.96
CC(CN(C)C(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004611506	0	31	-1.0	-40.60	276.13	3.84	-36.76
CC(CN(C)C(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004611506	1	31	-1.0	-40.64	276.08	3.83	-36.81
CC(CN(C)C(=O)C1=CC2=C(C=CO2)S1)C1=N[N-]N=N1	REAL250004611507	0	32	-1.0	-44.53	279.82	3.29	-41.24
CC(CN(C)C(=O)C1=CC2=C(C=CO2)S1)C1=NN=N[N-]1	REAL250004611507	1	32	-1.0	-44.54	279.88	3.30	-41.24
CC(CN(C)C(=O)CC1(O)CCCC1)C1=N[N-]N=N1	REAL250004611508	0	39	-1.0	-45.31	299.72	2.46	-42.85
CC(CN(C)C(=O)CC1(O)CCCC1)C1=NN=N[N-]1	REAL250004611508	1	39	-1.0	-45.33	299.77	2.48	-42.85
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)N1	REAL250004611509	0	38	-1.0	-57.97	311.60	2.19	-55.78
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)N1	REAL250004611509	1	38	-1.0	-57.99	311.66	2.20	-55.79
CC(CN(C)C(=O)C1CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611510	0	36	-1.0	-42.89	292.14	5.48	-37.41
CC(CN(C)C(=O)C1CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611510	1	36	-1.0	-42.82	292.20	5.50	-37.32
CC1=CC=CC(C(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611511	0	41	-1.0	-48.12	324.42	6.12	-42.00
CC1=CC=CC(C(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611511	1	41	-1.0	-48.08	324.47	6.14	-41.94
CC(CN(C)C(=O)C(C)C1=CSC=C1)C1=N[N-]N=N1	REAL250004611512	0	35	-1.0	-47.47	294.30	4.47	-43.00
CC(CN(C)C(=O)C(C)C1=CSC=C1)C1=NN=N[N-]1	REAL250004611512	1	35	-1.0	-47.48	294.36	4.49	-42.99
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CO1	REAL250004611513	0	34	-1.0	-42.76	281.61	1.60	-41.16
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CO1	REAL250004611513	1	34	-1.0	-42.79	281.55	1.58	-41.21
CC(CN(C)C(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL250004611515	0	34	-1.0	-58.10	287.07	4.06	-54.04
CC(CN(C)C(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL250004611515	1	34	-1.0	-58.10	287.02	4.04	-54.06
CCCCSCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611516	0	41	-1.0	-44.55	339.60	5.82	-38.73
CCCCSCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611516	1	41	-1.0	-44.52	339.66	5.84	-38.68
CC(CN(C)C(=O)C=CC1CCCCC1)C1=N[N-]N=N1	REAL250004611517	0	42	-1.0	-46.41	326.69	6.01	-40.40
CC(CN(C)C(=O)C=CC1CCCCC1)C1=NN=N[N-]1	REAL250004611517	1	42	-1.0	-46.42	326.74	6.03	-40.39
CC(=O)N[C@@H](CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(N)=O	REAL250004611518	0	39	-1.0	-57.25	325.56	-2.18	-59.43
CC(=O)N[C@@H](CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(N)=O	REAL250004611518	1	39	-1.0	-57.30	325.62	-2.16	-59.46
CC(CN(C)C(=O)C(C)OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004611519	0	38	-1.0	-52.83	308.59	3.68	-49.15
CC(CN(C)C(=O)C(C)OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004611519	1	38	-1.0	-52.79	308.53	3.66	-49.13
CC(CN(C)C(=O)C=C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004611520	0	42	-1.0	-42.40	320.90	5.84	-36.56
CC(CN(C)C(=O)C=C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004611520	1	42	-1.0	-42.39	320.95	5.85	-36.54
CSCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611521	0	38	-1.0	-46.64	318.14	4.91	-41.73
CSCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611521	1	38	-1.0	-46.64	318.19	4.92	-41.72
CCOC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=N1	REAL250004611522	0	38	-1.0	-44.43	313.00	1.73	-42.70
CCOC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=N1	REAL250004611522	1	38	-1.0	-44.47	312.94	1.72	-42.75
CC(CN(C)C(=O)CC1CCOC1)C1=N[N-]N=N1	REAL250004611523	0	36	-1.0	-44.49	284.39	2.18	-42.31
CC(CN(C)C(=O)CC1CCOC1)C1=NN=N[N-]1	REAL250004611523	1	36	-1.0	-44.52	284.45	2.19	-42.33
CC1=NC=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611524	0	33	-1.0	-43.53	290.36	3.55	-39.98
CC1=NC=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611524	1	33	-1.0	-43.54	290.42	3.57	-39.97
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004611525	0	38	-1.0	-53.66	313.49	6.07	-47.59
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004611525	1	38	-1.0	-53.69	313.55	6.08	-47.61
CC(CN(C)C(=O)C1=C(N)C(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004611526	0	34	-1.0	-41.21	293.52	-3.70	-44.91
CC(CN(C)C(=O)C1=C(N)C(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004611526	1	34	-1.0	-41.21	293.57	-3.69	-44.90
CC(CN(C)C(=O)C1=NC=CN=C1C(N)=O)C1=NN=N[N-]1	REAL250004611527	0	34	-1.0	-54.46	293.11	-1.49	-55.95
CC(CN(C)C(=O)C1=NC=CN=C1C(N)=O)C1=N[N-]N=N1	REAL250004611527	1	34	-1.0	-54.43	293.06	-1.51	-55.94
CCOC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611528	0	38	-1.0	-42.62	315.19	4.18	-38.44
CCOC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611528	1	38	-1.0	-42.62	315.25	4.20	-38.42
CC(CN(C)C(=O)C1=CCCCO1)C1=N[N-]N=N1	REAL250004611529	0	34	-1.0	-45.17	272.21	3.05	-42.12
CC(CN(C)C(=O)C1=CCCCO1)C1=NN=N[N-]1	REAL250004611529	1	34	-1.0	-45.19	272.27	3.07	-42.12
CC(CN(C)C(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004611530	0	41	-1.0	-46.40	307.51	5.00	-41.40
CC(CN(C)C(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004611530	1	41	-1.0	-46.43	307.56	5.01	-41.42
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004611532	0	34	-1.0	-42.99	287.71	0.13	-42.86
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004611532	1	34	-1.0	-42.99	287.65	0.12	-42.87
CC(CN(C)C(=O)C1=CC=NC=C1F)C1=NN=N[N-]1	REAL250004611533	0	31	-1.0	-49.50	265.81	2.43	-47.07
CC(CN(C)C(=O)C1=CC=NC=C1F)C1=N[N-]N=N1	REAL250004611533	1	31	-1.0	-49.50	265.75	2.42	-47.08
CCC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004611534	0	41	-1.0	-47.92	333.31	6.54	-41.38
CCC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004611534	1	41	-1.0	-47.92	333.36	6.56	-41.36
CC(CN(C)C(=O)C(O)C1CCOCC1)C1=N[N-]N=N1	REAL250004611536	0	40	-1.0	-43.65	302.71	0.72	-42.93
CC(CN(C)C(=O)C(O)C1CCOCC1)C1=NN=N[N-]1	REAL250004611536	1	40	-1.0	-43.67	302.76	0.73	-42.94
CC(CN(C)C(=O)C1CCCCCCC1)C1=N[N-]N=N1	REAL250004611538	0	44	-1.0	-42.19	305.35	5.12	-37.07
CC(CN(C)C(=O)C1CCCCCCC1)C1=NN=N[N-]1	REAL250004611538	1	44	-1.0	-42.24	305.41	5.14	-37.10
CC(CN(C)C(=O)C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004611539	0	35	-1.0	-50.80	285.35	3.96	-46.84
CC(CN(C)C(=O)C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004611539	1	35	-1.0	-50.82	285.41	3.98	-46.84
CC1=CC(F)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611540	0	35	-1.0	-44.44	291.74	4.79	-39.65
CC1=CC(F)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611540	1	35	-1.0	-44.47	291.80	4.80	-39.67
CC(CN(C)C(=O)CCC1CCC(C)O1)C1=N[N-]N=N1	REAL250004611541	0	42	-1.0	-43.41	329.35	3.99	-39.42
CC(CN(C)C(=O)CCC1CCC(C)O1)C1=NN=N[N-]1	REAL250004611541	1	42	-1.0	-43.38	329.41	4.01	-39.37
CCC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611542	0	40	-1.0	-45.23	297.82	4.49	-40.74
CCC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611542	1	40	-1.0	-45.26	297.88	4.51	-40.75
CC(CN(C)C(=O)C1CCCS1)C1=N[N-]N=N1	REAL250004611543	0	33	-1.0	-43.42	273.76	3.72	-39.70
CC(CN(C)C(=O)C1CCCS1)C1=NN=N[N-]1	REAL250004611543	1	33	-1.0	-43.43	273.81	3.74	-39.69
COCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611544	0	35	-1.0	-44.79	298.19	1.85	-42.94
COCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611544	1	35	-1.0	-44.77	298.24	1.87	-42.90
CCCC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611545	0	37	-1.0	-46.55	314.09	3.41	-43.14
CCCC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611545	1	37	-1.0	-46.53	314.15	3.43	-43.10
CC(CN(C)C(=O)C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004611546	0	31	-1.0	-47.16	274.68	2.84	-44.32
CC(CN(C)C(=O)C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004611546	1	31	-1.0	-47.14	274.62	2.82	-44.32
CC(CN(C)C(=O)CCC1CCOCC1)C1=N[N-]N=N1	REAL250004611547	0	42	-1.0	-48.32	323.75	3.70	-44.62
CC(CN(C)C(=O)CCC1CCOCC1)C1=NN=N[N-]1	REAL250004611547	1	42	-1.0	-48.36	323.80	3.71	-44.65
CC1=CC=C(C(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611548	0	38	-1.0	-51.59	307.24	4.82	-46.77
CC1=CC=C(C(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611548	1	38	-1.0	-51.59	307.29	4.83	-46.76
CC(CN(C)C(=O)C1CN(C)CCO1)C1=N[N-]N=N1	REAL250004611549	0	38	-1.0	-45.09	295.11	0.58	-44.51
CC(CN(C)C(=O)C1CN(C)CCO1)C1=NN=N[N-]1	REAL250004611549	1	38	-1.0	-45.08	295.17	0.60	-44.48
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611550	0	34	-1.0	-41.87	282.40	0.58	-41.29
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611550	1	34	-1.0	-41.85	282.46	0.60	-41.25
CC(CN(C)C(=O)CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004611551	0	35	-1.0	-60.30	283.86	3.10	-57.20
CC(CN(C)C(=O)CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004611551	1	35	-1.0	-60.28	283.92	3.11	-57.17
CC(CN(C)C(=O)C1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004611552	0	32	-1.0	-50.87	284.32	4.60	-46.27
CC(CN(C)C(=O)C1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004611552	1	32	-1.0	-50.87	284.38	4.62	-46.25
CC1=NC(SCC(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1	REAL250004611553	0	35	-1.0	-51.55	309.11	2.66	-48.89
CC1=NC(SCC(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1	REAL250004611553	1	35	-1.0	-51.54	309.17	2.67	-48.87
CC(CN(C)C(=O)CCCC1CCCC1)C1=N[N-]N=N1	REAL250004611554	0	44	-1.0	-47.00	338.52	6.31	-40.69
CC(CN(C)C(=O)CCCC1CCCC1)C1=NN=N[N-]1	REAL250004611554	1	44	-1.0	-46.97	338.58	6.33	-40.64
CC(CN(C)C(=O)C1=NN(C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004611555	0	39	-1.0	-49.24	319.32	4.49	-44.75
CC(CN(C)C(=O)C1=NN(C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004611555	1	39	-1.0	-49.19	319.37	4.51	-44.68
CCCCCCC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611556	0	46	-1.0	-46.63	351.44	6.34	-40.29
CCCCCCC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611556	1	46	-1.0	-46.67	351.49	6.36	-40.31
CC(CN(C)C(=O)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004611557	0	31	-1.0	-48.40	260.86	2.86	-45.54
CC(CN(C)C(=O)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004611557	1	31	-1.0	-48.42	260.92	2.88	-45.54
CCCCCC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611558	0	46	-1.0	-46.30	351.36	6.47	-39.83
CCCCCC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611558	1	46	-1.0	-46.28	351.41	6.48	-39.80
CC(CN(C)C(=O)C1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004611559	0	32	-1.0	-50.50	270.38	0.91	-49.59
CC(CN(C)C(=O)C1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004611559	1	32	-1.0	-50.54	270.44	0.92	-49.62
CC(CN(C)C(=O)CCC1CCC1)C1=N[N-]N=N1	REAL250004611560	0	38	-1.0	-46.67	300.15	4.98	-41.69
CC(CN(C)C(=O)CCC1CCC1)C1=NN=N[N-]1	REAL250004611560	1	38	-1.0	-46.66	300.21	4.99	-41.67
CC(CN(C)C(=O)C(C)C1CCCC1)C1=N[N-]N=N1	REAL250004611561	0	41	-1.0	-47.05	309.14	5.10	-41.95
CC(CN(C)C(=O)C(C)C1CCCC1)C1=NN=N[N-]1	REAL250004611561	1	41	-1.0	-47.04	309.20	5.11	-41.93
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL250004611562	0	35	-1.0	-51.38	292.48	4.84	-46.54
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL250004611562	1	35	-1.0	-51.37	292.53	4.86	-46.51
CC(CN(C)C(=O)C1=CC(C(N)=O)=CN1)C1=N[N-]N=N1	REAL250004611563	0	34	-1.0	-56.19	284.33	-0.74	-56.93
CC(CN(C)C(=O)C1=CC(C(N)=O)=CN1)C1=NN=N[N-]1	REAL250004611563	1	34	-1.0	-56.16	284.39	-0.72	-56.88
CC1=CSC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611564	0	32	-1.0	-46.44	273.05	3.76	-42.68
CC1=CSC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611564	1	32	-1.0	-46.51	273.11	3.77	-42.74
CC(CN(C)C(=O)C1=C2NC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004611565	0	36	-1.0	-48.09	295.99	4.11	-43.98
CC(CN(C)C(=O)C1=C2NC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004611565	1	36	-1.0	-48.10	296.05	4.13	-43.97
CC(CN(C)C(=O)CC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004611566	0	35	-1.0	-48.17	302.29	5.20	-42.97
CC(CN(C)C(=O)CC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004611566	1	35	-1.0	-48.23	302.34	5.22	-43.01
CC(CN(C)C(=O)C1=CC=C(C#N)S1)C1=N[N-]N=N1	REAL250004611567	0	30	-1.0	-41.76	274.37	3.51	-38.25
CC(CN(C)C(=O)C1=CC=C(C#N)S1)C1=NN=N[N-]1	REAL250004611567	1	30	-1.0	-41.75	274.43	3.53	-38.22
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611568	0	35	-1.0	-45.28	287.79	4.01	-41.27
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611568	1	35	-1.0	-45.28	287.85	4.03	-41.25
CC(CN(C)C(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL250004611569	0	35	-1.0	-53.37	300.97	-1.91	-55.28
CC(CN(C)C(=O)C1=CN(CC(N)=O)N=N1)C1=N[N-]N=N1	REAL250004611569	1	35	-1.0	-53.36	300.92	-1.93	-55.29
CC(CN(C)C(=O)CCN1C=CC=C1)C1=N[N-]N=N1	REAL250004611570	0	36	-1.0	-44.67	297.62	4.98	-39.69
CC(CN(C)C(=O)CCN1C=CC=C1)C1=NN=N[N-]1	REAL250004611570	1	36	-1.0	-44.69	297.67	5.00	-39.69
CC(CN(C)C(=O)C1CCC2=CNN=C2C1)C1=N[N-]N=N1	REAL250004611571	0	39	-1.0	-45.72	306.35	2.94	-42.78
CC(CN(C)C(=O)C1CCC2=CNN=C2C1)C1=NN=N[N-]1	REAL250004611571	1	39	-1.0	-45.70	306.41	2.95	-42.75
C#CCOC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004611572	0	38	-1.0	-44.67	320.36	4.85	-39.82
C#CCOC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004611572	1	38	-1.0	-44.68	320.42	4.87	-39.81
C=CCOCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611573	0	39	-1.0	-50.02	320.33	3.50	-46.52
C=CCOCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611573	1	39	-1.0	-50.02	320.39	3.52	-46.50
CC(CN(C)C(=O)C1CC1C1CCCCC1)C1=N[N-]N=N1	REAL250004611574	0	45	-1.0	-43.13	344.08	6.73	-36.40
CC(CN(C)C(=O)C1CC1C1CCCCC1)C1=NN=N[N-]1	REAL250004611574	1	45	-1.0	-43.14	344.13	6.74	-36.40
CC(C)CC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611575	0	44	-1.0	-56.56	349.73	2.60	-53.96
CC(C)CC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611575	1	44	-1.0	-56.60	349.79	2.61	-53.99
CC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611576	0	34	-1.0	-42.79	279.24	2.82	-39.97
CC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611576	1	34	-1.0	-42.79	279.18	2.80	-39.99
CC(CN(C)C(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004611577	0	37	-1.0	-47.83	303.47	4.58	-43.25
CC(CN(C)C(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004611577	1	37	-1.0	-47.84	303.41	4.56	-43.28
CC(CN(C)C(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL250004611578	0	31	-1.0	-44.29	270.04	3.28	-41.01
CC(CN(C)C(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL250004611578	1	31	-1.0	-44.32	270.10	3.30	-41.02
CC(CN(C)C(=O)C1CC12CCOCC2)C1=N[N-]N=N1	REAL250004611579	0	40	-1.0	-43.72	305.88	3.31	-40.41
CC(CN(C)C(=O)C1CC12CCOCC2)C1=NN=N[N-]1	REAL250004611579	1	40	-1.0	-43.69	305.93	3.32	-40.37
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC=N1	REAL250004611580	0	31	-1.0	-42.48	260.09	-0.18	-42.66
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC=N1	REAL250004611580	1	31	-1.0	-42.46	260.15	-0.16	-42.62
CC(CN(C)C(=O)[C@@H]1CCCCN1C)C1=NN=N[N-]1	REAL250004611581	1	40	-1.0	-46.79	301.78	2.10	-44.69
CC(CN(C)C(=O)[C@@H]1CCCN1C(N)=O)C1=N[N-]N=N1	REAL250004611582	0	38	-1.0	-58.98	303.78	0.10	-58.88
CC(CN(C)C(=O)[C@@H]1CCCN1C(N)=O)C1=NN=N[N-]1	REAL250004611582	1	38	-1.0	-59.00	303.84	0.11	-58.89
CC(CN(C)C(=O)CC1CCCCCC1)C1=N[N-]N=N1	REAL250004611583	0	44	-1.0	-46.72	321.97	5.78	-40.94
CC(CN(C)C(=O)CC1CCCCCC1)C1=NN=N[N-]1	REAL250004611583	1	44	-1.0	-46.69	322.03	5.80	-40.89
CC(CN(C)C(=O)C1=CC(C#N)=CN1)C1=N[N-]N=N1	REAL250004611584	0	31	-1.0	-52.02	269.73	2.94	-49.08
CC(CN(C)C(=O)C1=CC(C#N)=CN1)C1=NN=N[N-]1	REAL250004611584	1	31	-1.0	-52.06	269.78	2.96	-49.10
CC(CN(C)C(=O)C#CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611585	0	34	-1.0	-46.54	298.42	5.79	-40.75
CC(CN(C)C(=O)C#CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611585	1	34	-1.0	-46.56	298.48	5.80	-40.76
CC(CN(C)C(=O)C(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004611586	0	38	-1.0	-52.96	306.31	3.19	-49.77
CC(CN(C)C(=O)C(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004611586	1	38	-1.0	-52.95	306.25	3.18	-49.77
CC(CN(C)C(=O)C1=CN2N=NN=C2C=C1)C1=NN=N[N-]1	REAL250004611587	0	33	-1.0	-46.28	287.57	2.41	-43.87
CC(CN(C)C(=O)C1=CN2N=NN=C2C=C1)C1=N[N-]N=N1	REAL250004611587	1	33	-1.0	-46.22	287.51	2.40	-43.82
CCCCCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611588	0	46	-1.0	-47.33	339.04	5.67	-41.66
CCCCCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611588	1	46	-1.0	-47.38	339.10	5.68	-41.70
CC(CN(C)C(=O)CCC1=COC=C1)C1=N[N-]N=N1	REAL250004611589	0	35	-1.0	-47.30	292.56	3.87	-43.43
CC(CN(C)C(=O)CCC1=COC=C1)C1=NN=N[N-]1	REAL250004611589	1	35	-1.0	-47.29	292.62	3.89	-43.40
CC(C)CC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611590	0	43	-1.0	-46.38	304.90	4.55	-41.83
CC(C)CC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611590	1	43	-1.0	-46.36	304.96	4.57	-41.79
CC(CN(C)C(=O)CCC1CCCOC1)C1=N[N-]N=N1	REAL250004611591	0	42	-1.0	-46.84	323.66	3.72	-43.12
CC(CN(C)C(=O)CCC1CCCOC1)C1=NN=N[N-]1	REAL250004611591	1	42	-1.0	-46.87	323.72	3.73	-43.14
CC1=CC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611592	0	34	-1.0	-48.26	285.25	2.93	-45.33
CC1=CC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611592	1	34	-1.0	-48.26	285.19	2.92	-45.34
CC(CN(C)C(=O)C1CSCCS1)C1=N[N-]N=N1	REAL250004611593	0	34	-1.0	-42.32	292.96	4.14	-38.18
CC(CN(C)C(=O)C1CSCCS1)C1=NN=N[N-]1	REAL250004611593	1	34	-1.0	-42.30	293.02	4.15	-38.15
CC(CN(C)C(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL250004611594	0	43	-1.0	-45.77	339.04	2.45	-43.32
CC(CN(C)C(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL250004611594	1	43	-1.0	-45.80	339.10	2.46	-43.34
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611595	0	38	-1.0	-43.68	285.52	4.09	-39.59
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611595	1	38	-1.0	-43.68	285.58	4.11	-39.57
CC(CN(C)C(=O)C1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004611596	0	41	-1.0	-45.95	308.59	5.14	-40.81
CC(CN(C)C(=O)C1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004611596	1	41	-1.0	-45.95	308.65	5.16	-40.79
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(F)C=C1F	REAL250004611597	0	35	-1.0	-44.16	296.40	4.86	-39.30
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(F)C=C1F	REAL250004611597	1	35	-1.0	-44.19	296.46	4.88	-39.31
CC(CN(C)C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004611598	0	32	-1.0	-47.22	283.83	4.25	-42.97
CC(CN(C)C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004611598	1	32	-1.0	-47.26	283.89	4.26	-43.00
CC(CN(C)C(=O)CCC1=NN=CN1)C1=N[N-]N=N1	REAL250004611599	0	34	-1.0	-50.06	285.82	3.33	-46.73
CC(CN(C)C(=O)CCC1=NN=CN1)C1=NN=N[N-]1	REAL250004611599	1	34	-1.0	-50.07	285.88	3.35	-46.72
CNS(=O)(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611600	0	33	-1.0	-59.94	286.83	-2.42	-62.36
CNS(=O)(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611600	1	33	-1.0	-59.88	286.89	-2.41	-62.29
CC(CN(C)C(=O)C1=CNC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004611601	0	35	-1.0	-50.47	294.74	0.64	-49.83
CC(CN(C)C(=O)C1=CNC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004611601	1	35	-1.0	-50.45	294.79	0.66	-49.79
CC(CN(C)C(=O)CCC1CCOC1)C1=N[N-]N=N1	REAL250004611602	0	39	-1.0	-44.98	305.62	2.91	-42.07
CC(CN(C)C(=O)CCC1CCOC1)C1=NN=N[N-]1	REAL250004611602	1	39	-1.0	-45.01	305.68	2.92	-42.09
CC(CN(C)C(=O)C1=CC(C#N)=CS1)C1=N[N-]N=N1	REAL250004611603	0	30	-1.0	-45.79	273.67	3.33	-42.46
CC(CN(C)C(=O)C1=CC(C#N)=CS1)C1=NN=N[N-]1	REAL250004611603	1	30	-1.0	-45.78	273.72	3.35	-42.43
CC(C)C1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611604	0	41	-1.0	-44.85	323.59	3.71	-41.14
CC(C)C1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611604	1	41	-1.0	-44.86	323.65	3.73	-41.13
CC(C)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004611605	0	41	-1.0	-48.92	328.35	4.24	-44.68
CC(C)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004611605	1	41	-1.0	-48.88	328.41	4.26	-44.62
CC(CN(C)C(=O)C1(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004611606	0	42	-1.0	-45.22	326.43	6.82	-38.40
CC(CN(C)C(=O)C1(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004611606	1	42	-1.0	-45.21	326.48	6.83	-38.38
CC(CN(C)C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004611607	0	28	-1.0	-39.29	252.44	2.47	-36.82
CC(CN(C)C(=O)C(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004611607	1	28	-1.0	-39.32	252.49	2.49	-36.83
CC(CN(C)C(=O)CN1C=CN=N1)C1=NN=N[N-]1	REAL250004611608	0	31	-1.0	-60.49	264.54	1.22	-59.27
CC(CN(C)C(=O)CN1C=CN=N1)C1=N[N-]N=N1	REAL250004611608	1	31	-1.0	-60.48	264.49	1.21	-59.27
CC(CN(C)C(=O)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL250004611609	0	30	-1.0	-43.88	268.13	3.69	-40.19
CC(CN(C)C(=O)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL250004611609	1	30	-1.0	-43.89	268.07	3.67	-40.22
CC(CN(C)C(=O)C1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004611610	0	32	-1.0	-46.14	272.12	2.11	-44.03
CC(CN(C)C(=O)C1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004611610	1	32	-1.0	-46.17	272.17	2.13	-44.04
CC(CS(C)(=O)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611611	0	37	-1.0	-50.12	305.42	0.23	-49.89
CC(CS(C)(=O)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611611	1	37	-1.0	-50.08	305.48	0.24	-49.84
COC1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611612	0	33	-1.0	-44.05	282.95	2.31	-41.74
COC1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611612	1	33	-1.0	-44.07	283.01	2.33	-41.74
CC(=O)N1CCC(C)(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004611613	0	42	-1.0	-50.84	320.07	2.66	-48.18
CC(=O)N1CCC(C)(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611613	1	42	-1.0	-50.83	320.13	2.67	-48.16
CC(C)CCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611614	0	46	-1.0	-46.71	355.46	6.52	-40.19
CC(C)CCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611614	1	46	-1.0	-46.69	355.52	6.53	-40.16
CC1=CC=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611615	0	38	-1.0	-46.83	314.49	4.86	-41.97
CC1=CC=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611615	1	38	-1.0	-46.85	314.55	4.87	-41.98
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611616	0	35	-1.0	-44.93	290.41	2.23	-42.70
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611616	1	35	-1.0	-44.93	290.35	2.21	-42.72
CC(CN(C)C(=O)COC1CCOC1)C1=N[N-]N=N1	REAL250004611617	0	37	-1.0	-50.80	300.41	1.92	-48.88
CC(CN(C)C(=O)COC1CCOC1)C1=NN=N[N-]1	REAL250004611617	1	37	-1.0	-50.77	300.47	1.94	-48.83
CC(CN(C)C(=O)C1CC12CCCC2)C1=N[N-]N=N1	REAL250004611618	0	39	-1.0	-46.63	306.39	5.28	-41.35
CC(CN(C)C(=O)C1CC12CCCC2)C1=NN=N[N-]1	REAL250004611618	1	39	-1.0	-46.67	306.45	5.29	-41.38
CC(CN(C)C(=O)C1=CSC(C=O)=C1)C1=N[N-]N=N1	REAL250004611619	0	31	-1.0	-55.40	277.35	2.88	-52.52
CC(CN(C)C(=O)C1=CSC(C=O)=C1)C1=NN=N[N-]1	REAL250004611619	1	31	-1.0	-55.41	277.40	2.90	-52.51
CC(CN(C)C(=O)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004611620	0	32	-1.0	-45.50	268.83	3.51	-41.99
CC(CN(C)C(=O)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004611620	1	32	-1.0	-45.49	268.89	3.53	-41.96
CC(CN(C)C(=O)C1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004611621	0	32	-1.0	-51.68	275.82	1.21	-50.47
CC(CN(C)C(=O)C1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004611621	1	32	-1.0	-51.74	275.87	1.22	-50.52
CCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611622	0	38	-1.0	-43.64	300.62	4.66	-38.98
CCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611622	1	38	-1.0	-43.69	300.68	4.67	-39.02
CCC(CC)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611623	0	43	-1.0	-48.18	305.56	4.29	-43.89
CCC(CC)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611623	1	43	-1.0	-48.18	305.62	4.31	-43.87
COCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611624	0	42	-1.0	-43.48	318.62	3.12	-40.36
COCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611624	1	42	-1.0	-43.48	318.67	3.13	-40.35
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1F	REAL250004611625	0	36	-1.0	-46.71	299.62	3.41	-43.30
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1F	REAL250004611625	1	36	-1.0	-46.73	299.68	3.43	-43.30
CC1=NNC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611626	0	35	-1.0	-51.64	292.27	2.02	-49.62
CC1=NNC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611626	1	35	-1.0	-51.64	292.32	2.03	-49.61
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004611627	0	32	-1.0	-52.53	286.18	4.64	-47.89
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004611627	1	32	-1.0	-52.52	286.24	4.65	-47.87
CC(CN(C)C(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004611628	0	35	-1.0	-48.54	302.29	5.21	-43.33
CC(CN(C)C(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004611628	1	35	-1.0	-48.51	302.35	5.23	-43.28
CC(CN(C)C(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004611629	0	35	-1.0	-49.69	303.14	5.23	-44.46
CC(CN(C)C(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004611629	1	35	-1.0	-49.68	303.19	5.25	-44.43
CC(CN(C)C(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004611630	0	35	-1.0	-48.70	301.06	5.17	-43.53
CC(CN(C)C(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004611630	1	35	-1.0	-48.72	301.12	5.18	-43.54
COCC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611631	0	38	-1.0	-48.86	301.57	2.60	-46.26
COCC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611631	1	38	-1.0	-48.87	301.63	2.61	-46.26
CC(CN(C)C(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611632	0	42	-1.0	-49.23	343.54	7.32	-41.91
CC(CN(C)C(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611632	1	42	-1.0	-49.21	343.60	7.33	-41.88
CC(CN(C)C(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004611633	0	35	-1.0	-51.06	302.18	5.20	-45.86
CC(CN(C)C(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004611633	1	35	-1.0	-51.06	302.24	5.21	-45.85
CC(C)CC(C)OCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611634	0	47	-1.0	-45.04	365.67	5.02	-40.02
CC(C)CC(C)OCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611634	1	47	-1.0	-45.03	365.73	5.04	-39.99
CC(CN(C)C(=O)CC1CCCCO1)C1=N[N-]N=N1	REAL250004611635	0	39	-1.0	-45.87	304.31	3.97	-41.90
CC(CN(C)C(=O)CC1CCCCO1)C1=NN=N[N-]1	REAL250004611635	1	39	-1.0	-45.86	304.36	3.98	-41.88
CCN(CC)C(=O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611636	0	44	-1.0	-45.69	349.57	4.32	-41.37
CCN(CC)C(=O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611636	1	44	-1.0	-45.72	349.63	4.33	-41.39
CC1=CC(Cl)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611637	0	35	-1.0	-44.40	302.06	5.23	-39.17
CC1=CC(Cl)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611637	1	35	-1.0	-44.41	302.12	5.25	-39.16
CC(CN(C)C(=O)C1(C)CCCO1)C1=N[N-]N=N1	REAL250004611638	0	36	-1.0	-41.35	277.61	2.44	-38.91
CC(CN(C)C(=O)C1(C)CCCO1)C1=NN=N[N-]1	REAL250004611638	1	36	-1.0	-41.39	277.67	2.46	-38.93
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)COC1	REAL250004611639	0	36	-1.0	-45.81	276.06	1.39	-44.42
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)COC1	REAL250004611639	1	36	-1.0	-45.85	276.12	1.41	-44.44
CC(C)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004611640	0	47	-1.0	-44.01	330.86	5.65	-38.36
CC(C)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004611640	1	47	-1.0	-44.05	330.91	5.67	-38.38
CC1=NC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)S1	REAL250004611641	0	37	-1.0	-50.43	315.99	3.46	-46.97
CC1=NC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)S1	REAL250004611641	1	37	-1.0	-50.46	316.05	3.47	-46.99
CCCCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611642	0	49	-1.0	-46.44	362.83	6.67	-39.77
CCCCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611642	1	49	-1.0	-46.43	362.89	6.68	-39.75
CC(O)C1=CN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004611644	0	38	-1.0	-60.25	317.81	-0.79	-61.04
CC(O)C1=CN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004611644	1	38	-1.0	-60.24	317.87	-0.77	-61.01
CC(C)N1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611645	0	38	-1.0	-42.18	303.13	3.43	-38.75
CC(C)N1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611645	1	38	-1.0	-42.20	303.07	3.42	-38.78
CC(CN(C)C(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004611646	0	34	-1.0	-49.92	285.32	3.34	-46.58
CC(CN(C)C(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004611646	1	34	-1.0	-49.88	285.26	3.33	-46.55
CC(CN(C)C(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004611647	0	36	-1.0	-50.33	301.45	2.26	-48.07
CC(CN(C)C(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004611647	1	36	-1.0	-50.32	301.51	2.28	-48.04
CC1=CC=CC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611648	0	38	-1.0	-43.67	303.82	5.16	-38.51
CC1=CC=CC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611648	1	38	-1.0	-43.68	303.88	5.17	-38.51
CC(CN(C)C(=O)C1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004611650	0	36	-1.0	-45.78	285.57	0.47	-45.31
CC(CN(C)C(=O)C1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004611650	1	36	-1.0	-45.82	285.63	0.49	-45.33
CC(CN(C)C(=O)C1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004611651	0	44	-1.0	-35.23	317.43	5.00	-30.23
CC(CN(C)C(=O)C1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004611651	1	44	-1.0	-35.17	317.49	5.01	-30.16
COC(=O)C(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611652	0	37	-1.0	-44.29	302.34	3.50	-40.79
COC(=O)C(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611652	1	37	-1.0	-44.30	302.40	3.52	-40.78
CC(CN(C)C(=O)C(F)=C1CCCC1)C1=N[N-]N=N1	REAL250004611653	0	36	-1.0	-39.46	287.67	4.71	-34.75
CC(CN(C)C(=O)C(F)=C1CCCC1)C1=NN=N[N-]1	REAL250004611653	1	36	-1.0	-39.46	287.73	4.73	-34.73
CCC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611654	0	38	-1.0	-46.24	302.17	5.44	-40.80
CCC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611654	1	38	-1.0	-46.20	302.23	5.46	-40.74
CC(CN(C)C(=O)C1CCCC2=NNC=C21)C1=N[N-]N=N1	REAL250004611655	0	39	-1.0	-45.65	306.42	2.93	-42.72
CC(CN(C)C(=O)C1CCCC2=NNC=C21)C1=NN=N[N-]1	REAL250004611655	1	39	-1.0	-45.63	306.48	2.94	-42.69
COC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611656	0	35	-1.0	-42.87	304.50	3.35	-39.52
COC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611656	1	35	-1.0	-42.84	304.55	3.36	-39.48
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL250004611657	0	35	-1.0	-43.90	297.95	4.83	-39.07
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL250004611657	1	35	-1.0	-43.89	298.01	4.84	-39.05
CCC1(C)CC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611658	0	38	-1.0	-42.45	294.30	4.73	-37.72
CCC1(C)CC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611658	1	38	-1.0	-42.43	294.36	4.75	-37.68
CCOCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611659	0	45	-1.0	-43.46	340.47	4.08	-39.38
CCOCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611659	1	45	-1.0	-43.48	340.53	4.10	-39.38
CCCC(C)(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611660	0	38	-1.0	-44.03	292.71	1.09	-42.94
CCCC(C)(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611660	1	38	-1.0	-43.99	292.76	1.10	-42.89
CC(CN(C)C(=O)C1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL250004611661	0	35	-1.0	-48.21	297.58	4.61	-43.60
CC(CN(C)C(=O)C1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL250004611661	1	35	-1.0	-48.21	297.63	4.63	-43.58
CC(CN(C)C(=O)C(F)(F)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004611662	0	34	-1.0	-47.49	291.29	3.99	-43.50
CC(CN(C)C(=O)C(F)(F)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004611662	1	34	-1.0	-47.50	291.24	3.97	-43.53
CC1=CC=CC(F)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611663	0	35	-1.0	-45.95	295.29	4.83	-41.12
CC1=CC=CC(F)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611663	1	35	-1.0	-45.95	295.35	4.84	-41.11
CC(CN(C)C(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004611664	0	32	-1.0	-43.07	284.96	4.61	-38.46
CC(CN(C)C(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004611664	1	32	-1.0	-43.08	285.02	4.63	-38.45
CC(CN(C)C(=O)C1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004611665	0	31	-1.0	-41.65	264.22	2.24	-39.41
CC(CN(C)C(=O)C1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004611665	1	31	-1.0	-41.67	264.16	2.23	-39.44
CCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611666	0	41	-1.0	-43.85	306.43	4.82	-39.03
CCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611666	1	41	-1.0	-43.84	306.49	4.83	-39.01
CCC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)CC	REAL250004611667	0	38	-1.0	-45.30	299.29	4.90	-40.40
CCC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)CC	REAL250004611667	1	38	-1.0	-45.30	299.36	4.91	-40.39
CC1=CC(=O)NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611668	0	35	-1.0	-45.39	294.47	1.70	-43.69
CC1=CC(=O)NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611668	1	35	-1.0	-45.39	294.53	1.71	-43.68
CCCC(O)(CCC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611670	0	47	-1.0	-50.18	351.85	4.05	-46.13
CCCC(O)(CCC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611670	1	47	-1.0	-50.15	351.90	4.07	-46.08
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611671	0	40	-1.0	-45.96	320.50	5.15	-40.81
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611671	1	40	-1.0	-45.91	320.56	5.16	-40.75
CC(CN(C)C(=O)CN1C=NC(C#N)=N1)C1=NN=N[N-]1	REAL250004611672	0	32	-1.0	-60.86	286.77	3.37	-57.49
CC(CN(C)C(=O)CN1C=NC(C#N)=N1)C1=N[N-]N=N1	REAL250004611672	1	32	-1.0	-60.88	286.71	3.36	-57.52
CC(CN(C)C(=O)C1(C#N)CC(C)C1)C1=N[N-]N=N1	REAL250004611673	0	36	-1.0	-40.49	292.24	3.76	-36.73
CC(CN(C)C(=O)C1(C#N)CC(C)C1)C1=NN=N[N-]1	REAL250004611673	1	36	-1.0	-40.51	292.29	3.78	-36.73
CC(CN(C)C(=O)C1=CNC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004611674	0	36	-1.0	-47.27	298.30	3.91	-43.36
CC(CN(C)C(=O)C1=CNC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004611674	1	36	-1.0	-47.27	298.36	3.92	-43.35
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004611675	0	35	-1.0	-45.63	297.82	5.15	-40.48
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004611675	1	35	-1.0	-45.64	297.87	5.17	-40.47
CC(CN(C)C(=O)CC1CCC(C)C1)C1=N[N-]N=N1	REAL250004611676	0	41	-1.0	-46.91	314.68	5.36	-41.55
CC(CN(C)C(=O)CC1CCC(C)C1)C1=NN=N[N-]1	REAL250004611676	1	41	-1.0	-46.89	314.74	5.38	-41.51
CCC(CC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611677	0	40	-1.0	-46.54	301.00	4.68	-41.86
CCC(CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611677	1	40	-1.0	-46.54	301.07	4.69	-41.85
CC=C(C=CC(=O)N(C)CC(C)C1=N[N-]N=N1)CC	REAL250004611678	0	39	-1.0	-46.82	313.52	5.33	-41.49
CC=C(C=CC(=O)N(C)CC(C)C1=NN=N[N-]1)CC	REAL250004611678	1	39	-1.0	-46.84	313.59	5.35	-41.49
CC(CN(C)C(=O)C=C1CCC(C)C1)C1=N[N-]N=N1	REAL250004611679	0	39	-1.0	-42.79	304.64	5.35	-37.44
CC(CN(C)C(=O)C=C1CCC(C)C1)C1=NN=N[N-]1	REAL250004611679	1	39	-1.0	-42.76	304.70	5.36	-37.40
CC(C)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611680	0	38	-1.0	-43.51	291.10	4.24	-39.27
CC(C)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611680	1	38	-1.0	-43.49	291.16	4.26	-39.23
CC(CN(C)C(=O)C1CCSC1)C1=N[N-]N=N1	REAL250004611681	0	33	-1.0	-41.50	271.56	3.55	-37.95
CC(CN(C)C(=O)C1CCSC1)C1=NN=N[N-]1	REAL250004611681	1	33	-1.0	-41.46	271.62	3.56	-37.90
CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)=C1CCCC1	REAL250004611682	0	39	-1.0	-43.76	295.17	4.97	-38.79
CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)=C1CCCC1	REAL250004611682	1	39	-1.0	-43.76	295.23	4.98	-38.78
CC(CN(C)C(=O)C1(O)CCCCC1)C1=N[N-]N=N1	REAL250004611683	0	39	-1.0	-44.30	289.47	1.57	-42.73
CC(CN(C)C(=O)C1(O)CCCCC1)C1=NN=N[N-]1	REAL250004611683	1	39	-1.0	-44.29	289.53	1.59	-42.70
CC(CN(C)C(=O)C1(O)CCCC1)C1=N[N-]N=N1	REAL250004611684	0	36	-1.0	-41.03	278.83	0.96	-40.07
CC(CN(C)C(=O)C1(O)CCCC1)C1=NN=N[N-]1	REAL250004611684	1	36	-1.0	-41.04	278.89	0.97	-40.07
COCC(C)(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611685	0	36	-1.0	-43.04	288.05	-0.75	-43.79
COCC(C)(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611685	1	36	-1.0	-43.05	288.11	-0.74	-43.79
CC(CN(C)C(=O)CC1CCSCC1)C1=N[N-]N=N1	REAL250004611686	0	39	-1.0	-46.83	310.14	5.07	-41.76
CC(CN(C)C(=O)CC1CCSCC1)C1=NN=N[N-]1	REAL250004611686	1	39	-1.0	-46.78	310.19	5.09	-41.69
CCOC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611687	0	44	-1.0	-48.11	338.88	4.85	-43.26
CCOC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611687	1	44	-1.0	-48.10	338.94	4.86	-43.24
CC(CN(C)C(=O)CN1C=C(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004611688	0	38	-1.0	-61.16	316.49	3.26	-57.90
CC(CN(C)C(=O)CN1C=C(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004611688	1	38	-1.0	-61.13	316.54	3.27	-57.86
COCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004611689	0	45	-1.0	-43.51	334.62	3.70	-39.81
COCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004611689	1	45	-1.0	-43.54	334.68	3.72	-39.82
CCS(=O)(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611690	0	36	-1.0	-55.78	308.36	-1.55	-57.33
CCS(=O)(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611690	1	36	-1.0	-55.73	308.42	-1.53	-57.26
COC(=O)CC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611691	0	37	-1.0	-44.43	298.27	3.23	-41.20
COC(=O)CC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611691	1	37	-1.0	-44.39	298.32	3.24	-41.15
CC1=C(C)OC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611692	0	35	-1.0	-42.66	288.91	3.92	-38.74
CC1=C(C)OC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611692	1	35	-1.0	-42.62	288.97	3.94	-38.68
C=CCC(CC=C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611693	0	39	-1.0	-45.88	314.92	5.12	-40.76
C=CCC(CC=C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611693	1	39	-1.0	-45.87	314.97	5.14	-40.73
CCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611694	0	40	-1.0	-58.26	313.97	0.22	-58.04
CCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611694	1	40	-1.0	-58.28	314.03	0.24	-58.04
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004611695	0	36	-1.0	-42.52	296.41	3.07	-39.45
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004611695	1	36	-1.0	-42.51	296.47	3.08	-39.43
CC(CN(C)C(=O)C1=CC=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004611696	0	36	-1.0	-46.20	304.93	5.24	-40.96
CC(CN(C)C(=O)C1=CC=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004611696	1	36	-1.0	-46.24	304.99	5.26	-40.98
CC(CN(C)C(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004611697	0	32	-1.0	-43.77	287.07	4.64	-39.13
CC(CN(C)C(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004611697	1	32	-1.0	-43.82	287.13	4.66	-39.16
CCC1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611698	0	39	-1.0	-47.32	305.34	4.08	-43.24
CCC1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611698	1	39	-1.0	-47.29	305.39	4.10	-43.19
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004611699	0	41	-1.0	-48.24	300.75	4.60	-43.64
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004611699	1	41	-1.0	-48.27	300.80	4.62	-43.65
CC(C)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611700	0	44	-1.0	-43.58	319.42	5.52	-38.06
CC(C)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611700	1	44	-1.0	-43.58	319.47	5.53	-38.05
CC(CN(C)C(=O)CC1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004611701	0	38	-1.0	-60.46	316.74	4.42	-56.04
CC(CN(C)C(=O)CC1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004611701	1	38	-1.0	-60.46	316.80	4.43	-56.03
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004611702	0	35	-1.0	-48.06	292.15	4.78	-43.28
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004611702	1	35	-1.0	-48.11	292.21	4.80	-43.31
CC(CN(C)C(=O)C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004611703	0	39	-1.0	-46.90	312.74	5.63	-41.27
CC(CN(C)C(=O)C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004611703	1	39	-1.0	-46.91	312.80	5.64	-41.27
CSCCC(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611704	0	36	-1.0	-46.92	301.53	1.78	-45.14
CSCCC(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611704	1	36	-1.0	-46.88	301.58	1.80	-45.08
CC(CN(C)C(=O)[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611705	0	36	-1.0	-43.69	288.58	2.65	-41.04
CC(CN(C)C(=O)[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611705	1	36	-1.0	-43.68	288.63	2.66	-41.02
CC(CN(C)C(=O)[C@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611706	0	36	-1.0	-46.89	293.02	2.80	-44.09
CC(CN(C)C(=O)[C@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611706	1	36	-1.0	-46.91	293.08	2.82	-44.09
CC(CN(C)C(=O)C(O)C(C)(C)C)C1=N[N-]N=N1	REAL250004611707	0	38	-1.0	-45.41	284.91	1.73	-43.68
CC(CN(C)C(=O)C(O)C(C)(C)C)C1=NN=N[N-]1	REAL250004611707	1	38	-1.0	-45.44	284.97	1.75	-43.69
COC(=O)CC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611709	0	43	-1.0	-52.80	329.77	4.53	-48.27
COC(=O)CC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611709	1	43	-1.0	-52.76	329.83	4.55	-48.21
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004611710	0	38	-1.0	-56.36	312.33	5.39	-50.97
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004611710	1	38	-1.0	-56.35	312.27	5.37	-50.98
CCN1N=CC=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611711	0	39	-1.0	-48.21	323.87	4.13	-44.08
CCN1N=CC=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611711	1	39	-1.0	-48.22	323.93	4.15	-44.07
CC(CN(C)C(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004611712	0	31	-1.0	-47.25	282.20	3.81	-43.44
CC(CN(C)C(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004611712	1	31	-1.0	-47.26	282.14	3.79	-43.47
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL250004611713	0	41	-1.0	-43.44	325.21	5.80	-37.64
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL250004611713	1	41	-1.0	-43.45	325.27	5.82	-37.63
CC(CN(C)C(=O)C1=NNC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004611714	0	31	-1.0	-57.37	269.95	2.77	-54.60
CC(CN(C)C(=O)C1=NNC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004611714	1	31	-1.0	-57.39	270.00	2.79	-54.60
CNC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611715	0	34	-1.0	-46.25	283.93	-1.59	-47.84
CNC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611715	1	34	-1.0	-46.29	283.99	-1.58	-47.87
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004611716	0	34	-1.0	-43.59	280.83	3.99	-39.60
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004611716	1	34	-1.0	-43.57	280.77	3.98	-39.59
CC(CN(C)C(=O)C1=CC=C2N=CNC2=N1)C1=N[N-]N=N1	REAL250004611717	0	34	-1.0	-46.03	285.63	3.97	-42.06
CC(CN(C)C(=O)C1=CC=C2N=CNC2=N1)C1=NN=N[N-]1	REAL250004611717	1	34	-1.0	-46.04	285.69	3.99	-42.05
CC(CN(C)C(=O)C1=CC=C2N=CN=C2N1)C1=N[N-]N=N1	REAL250004611717	1	34	-1.0	-44.86	291.81	3.07	-41.79
CC(CN(C)C(=O)C1=CC=C2N=CN=C2N1)C1=NN=N[N-]1	REAL250004611717	1	34	-1.0	-44.85	291.87	3.09	-41.76
CC(CN(C)C(=O)C1=NOC(CN(C)C)=C1)C1=N[N-]N=N1	REAL250004611718	0	39	-1.0	-43.97	320.78	1.66	-42.31
CC(CN(C)C(=O)C1=NOC(CN(C)C)=C1)C1=NN=N[N-]1	REAL250004611718	1	39	-1.0	-43.99	320.84	1.68	-42.31
CC(CN(C)C(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL250004611719	0	32	-1.0	-51.24	293.86	3.91	-47.33
CC(CN(C)C(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL250004611719	1	32	-1.0	-51.27	293.91	3.92	-47.35
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611720	0	35	-1.0	-50.86	293.09	4.07	-46.79
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611720	1	35	-1.0	-50.88	293.15	4.09	-46.79
CCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004611721	0	43	-1.0	-46.40	319.83	5.11	-41.29
CCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004611721	1	43	-1.0	-46.39	319.89	5.12	-41.27
CC(C)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611722	0	37	-1.0	-43.47	306.78	4.21	-39.26
CC(C)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611722	1	37	-1.0	-43.48	306.84	4.22	-39.26
CCC(C)C(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611723	0	38	-1.0	-45.72	289.23	1.96	-43.76
CCC(C)C(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611723	1	38	-1.0	-45.68	289.29	1.98	-43.70
CC(CN(C)C(=O)C(CO)NC(N)=O)C1=N[N-]N=N1	REAL250004611724	0	35	-1.0	-49.14	287.49	-5.73	-54.87
CC(CN(C)C(=O)C(CO)NC(N)=O)C1=NN=N[N-]1	REAL250004611724	1	35	-1.0	-49.16	287.55	-5.72	-54.88
CC(CN(C)C(=O)C1COCCN1C)C1=N[N-]N=N1	REAL250004611725	0	38	-1.0	-42.46	291.65	-0.36	-42.82
CC(CN(C)C(=O)C1COCCN1C)C1=NN=N[N-]1	REAL250004611725	1	38	-1.0	-42.48	291.71	-0.34	-42.82
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=C1F	REAL250004611726	0	38	-1.0	-41.92	310.98	5.35	-36.57
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=C1F	REAL250004611726	1	38	-1.0	-41.94	311.04	5.37	-36.57
CC(C)N1C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611727	0	39	-1.0	-43.63	306.68	4.94	-38.69
CC(C)N1C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611727	1	39	-1.0	-43.62	306.74	4.95	-38.67
CC1=C(C)NC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004611728	0	37	-1.0	-57.45	302.94	2.58	-54.87
CC1=C(C)NC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004611728	1	37	-1.0	-57.45	303.00	2.59	-54.86
CC(CN(C)C(=O)CCC1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL250004611729	0	42	-1.0	-50.96	329.23	2.07	-48.89
CC(CN(C)C(=O)CCC1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL250004611729	1	42	-1.0	-50.96	329.28	2.09	-48.87
CC1=CC=C(Cl)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611730	0	35	-1.0	-41.40	295.83	5.05	-36.35
CC1=CC=C(Cl)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611730	1	35	-1.0	-41.39	295.88	5.07	-36.32
CC(CN(C)C(=O)C1CCC(=O)C(C)C1)C1=N[N-]N=N1	REAL250004611731	0	40	-1.0	-46.83	307.74	3.99	-42.84
CC(CN(C)C(=O)C1CCC(=O)C(C)C1)C1=NN=N[N-]1	REAL250004611731	1	40	-1.0	-46.79	307.80	4.00	-42.79
CC(CN(C)C(=O)C1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL250004611732	0	35	-1.0	-47.06	286.51	4.33	-42.73
CC(CN(C)C(=O)C1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL250004611732	1	35	-1.0	-47.05	286.45	4.32	-42.73
CC(C)[C@H]1CC[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611733	0	47	-1.0	-42.68	344.40	6.16	-36.52
CC(C)[C@H]1CC[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611733	1	47	-1.0	-42.74	344.45	6.18	-36.56
CCCC(CCC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611734	0	43	-1.0	-47.35	321.76	5.14	-42.21
CCCC(CCC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611734	1	43	-1.0	-47.34	321.82	5.15	-42.19
CCN1C=C(C(=O)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611735	0	37	-1.0	-45.57	311.11	2.97	-42.60
CCN1C=C(C(=O)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611735	1	37	-1.0	-45.54	311.17	2.98	-42.56
CC(CN(C)C(=O)C1CCC(=O)CC1C)C1=N[N-]N=N1	REAL250004611736	0	40	-1.0	-46.51	301.94	3.90	-42.61
CC(CN(C)C(=O)C1CCC(=O)CC1C)C1=NN=N[N-]1	REAL250004611736	1	40	-1.0	-46.50	301.99	3.91	-42.59
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1Cl	REAL250004611737	0	35	-1.0	-46.10	297.16	5.06	-41.04
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1Cl	REAL250004611737	1	35	-1.0	-46.12	297.22	5.07	-41.05
CC(CN(C)C(=O)CC1(C)CCCCC1)C1=N[N-]N=N1	REAL250004611738	0	44	-1.0	-45.56	318.20	5.64	-39.92
CC(CN(C)C(=O)CC1(C)CCCCC1)C1=NN=N[N-]1	REAL250004611738	1	44	-1.0	-45.56	318.26	5.66	-39.90
CC1=NN=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611739	0	33	-1.0	-46.51	273.46	1.84	-44.67
CC1=NN=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611739	1	33	-1.0	-46.55	273.52	1.85	-44.70
CC(CN(C)C(=O)C1(C)COC(C)(C)OC1)C1=N[N-]N=N1	REAL250004611740	0	43	-1.0	-49.20	316.29	2.90	-46.30
CC(CN(C)C(=O)C1(C)COC(C)(C)OC1)C1=NN=N[N-]1	REAL250004611740	1	43	-1.0	-49.21	316.35	2.91	-46.30
CC(CN(C)C(=O)C1(O)CCSCC1)C1=N[N-]N=N1	REAL250004611741	0	37	-1.0	-43.71	290.58	1.94	-41.77
CC(CN(C)C(=O)C1(O)CCSCC1)C1=NN=N[N-]1	REAL250004611741	1	37	-1.0	-43.75	290.64	1.96	-41.79
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCO1	REAL250004611742	0	37	-1.0	-43.83	292.69	3.11	-40.72
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCO1	REAL250004611742	1	37	-1.0	-43.84	292.74	3.13	-40.71
CCN1CCOCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611743	0	41	-1.0	-42.50	306.70	0.12	-42.38
CCN1CCOCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611743	1	41	-1.0	-42.53	306.76	0.14	-42.39
COCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611744	0	38	-1.0	-45.27	291.44	1.98	-43.29
COCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611744	1	38	-1.0	-45.21	291.50	1.99	-43.22
CC(CN(C)C(=O)C(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004611745	0	42	-1.0	-46.48	314.15	3.26	-43.22
CC(CN(C)C(=O)C(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004611745	1	42	-1.0	-46.54	314.20	3.28	-43.26
CC1=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=NN2C=C1	REAL250004611746	0	38	-1.0	-48.32	313.88	4.49	-43.83
CC1=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=NN2C=C1	REAL250004611746	1	38	-1.0	-48.33	313.82	4.48	-43.85
CC(CN(C)C(=O)CN1CCOCC1)C1=N[N-]N=N1	REAL250004611748	0	38	-1.0	-43.88	296.68	0.05	-43.83
CC(CN(C)C(=O)CN1CCOCC1)C1=NN=N[N-]1	REAL250004611748	1	38	-1.0	-43.83	296.74	0.06	-43.77
CC(CN1CCOCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611749	1	44	-1.0	-48.18	335.62	1.29	-46.89
CC(CN1CCOCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611749	1	44	-1.0	-48.13	335.68	1.31	-46.82
CC(CN(C)C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004611750	0	34	-1.0	-53.52	292.37	4.01	-49.51
CC(CN(C)C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004611750	1	34	-1.0	-53.54	292.31	3.99	-49.55
CC(CN(C)C(=O)C(C)(C)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004611751	0	40	-1.0	-49.73	302.56	3.99	-45.74
CC(CN(C)C(=O)C(C)(C)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004611751	1	40	-1.0	-49.75	302.50	3.98	-45.77
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1	REAL250004611752	0	36	-1.0	-48.42	296.68	2.56	-45.86
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1	REAL250004611752	1	36	-1.0	-48.42	296.74	2.57	-45.85
CC(CN(C)C(=O)C1=CC=C(O)C=C1O)C1=N[N-]N=N1	REAL250004611753	0	34	-1.0	-48.87	286.31	-1.20	-50.07
CC(CN(C)C(=O)C1=CC=C(O)C=C1O)C1=NN=N[N-]1	REAL250004611753	1	34	-1.0	-48.91	286.36	-1.19	-50.10
CC(CN(C)C(=O)C1=CC(F)=CC=C1O)C1=N[N-]N=N1	REAL250004611754	0	33	-1.0	-42.76	282.45	1.65	-41.11
CC(CN(C)C(=O)C1=CC(F)=CC=C1O)C1=NN=N[N-]1	REAL250004611754	1	33	-1.0	-42.77	282.51	1.66	-41.11
CCC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1O	REAL250004611755	0	39	-1.0	-44.86	317.75	3.07	-41.79
CCC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1O	REAL250004611755	1	39	-1.0	-44.82	317.81	3.08	-41.74
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1O	REAL250004611756	0	37	-1.0	-47.37	306.02	0.45	-46.92
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1O	REAL250004611756	1	37	-1.0	-47.38	306.07	0.47	-46.91
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1C	REAL250004611757	0	39	-1.0	-44.94	312.61	3.07	-41.87
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1C	REAL250004611757	1	39	-1.0	-44.93	312.67	3.08	-41.85
C=CC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611758	0	42	-1.0	-46.35	339.75	6.93	-39.42
C=CC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611758	1	42	-1.0	-46.37	339.81	6.95	-39.42
CC1=CC=C(F)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004611759	0	35	-1.0	-51.14	302.62	4.97	-46.17
CC1=CC=C(F)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004611759	1	35	-1.0	-51.12	302.68	4.99	-46.13
CC(CN(C)C(=O)C1=C(O)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004611760	0	33	-1.0	-48.05	292.62	1.76	-46.29
CC(CN(C)C(=O)C1=C(O)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004611760	1	33	-1.0	-48.03	292.67	1.77	-46.26
CCC1=CC=C(O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611761	0	39	-1.0	-44.25	318.93	3.00	-41.25
CCC1=CC=C(O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611761	1	39	-1.0	-44.24	318.99	3.02	-41.22
CSC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611762	0	35	-1.0	-48.65	290.96	3.93	-44.72
CSC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611762	1	35	-1.0	-48.67	291.02	3.94	-44.73
CC(CN(C)C(=O)C1=CC=CC(=O)N1C)C1=N[N-]N=N1	REAL250004611763	0	35	-1.0	-44.16	292.61	2.70	-41.46
CC(CN(C)C(=O)C1=CC=CC(=O)N1C)C1=NN=N[N-]1	REAL250004611763	1	35	-1.0	-44.14	292.67	2.72	-41.42
CC(CN(C)C(=O)CN(C)C1CCSC1)C1=N[N-]N=N1	REAL250004611764	1	41	-1.0	-46.89	320.67	2.65	-44.24
CC(CN(C)C(=O)CN(C)C1CCSC1)C1=NN=N[N-]1	REAL250004611764	1	41	-1.0	-46.86	320.72	2.66	-44.20
CC1=CN2C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004611765	0	38	-1.0	-47.05	307.91	4.99	-42.06
CC1=CN2C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004611765	1	38	-1.0	-47.05	307.85	4.97	-42.08
CC(CN(C)C(=O)C1(NC(N)=O)CC1)C1=N[N-]N=N1	REAL250004611766	0	35	-1.0	-55.21	285.02	-0.67	-55.88
CC(CN(C)C(=O)C1(NC(N)=O)CC1)C1=NN=N[N-]1	REAL250004611766	1	35	-1.0	-55.20	285.08	-0.66	-55.86
CC(CN(C)C(=O)C1=CN=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL250004611767	0	38	-1.0	-44.52	308.30	3.06	-41.46
CC(CN(C)C(=O)C1=CN=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL250004611767	1	38	-1.0	-44.48	308.24	3.04	-41.44
CC(CN(C)C(=O)CN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004611768	0	35	-1.0	-55.27	298.79	3.51	-51.76
CC(CN(C)C(=O)CN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004611768	1	35	-1.0	-55.32	298.85	3.52	-51.80
CCC1=CC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611769	0	37	-1.0	-49.07	301.87	3.74	-45.33
CCC1=CC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611769	1	37	-1.0	-49.05	301.82	3.73	-45.32
CC(CN(C)C(=O)C1=CN(C)N=C1C(F)F)C1=N[N-]N=N1	REAL250004611770	0	35	-1.0	-53.15	298.67	2.63	-50.52
CC(CN(C)C(=O)C1=CN(C)N=C1C(F)F)C1=NN=N[N-]1	REAL250004611770	1	35	-1.0	-53.11	298.73	2.64	-50.47
CC(CN(C)C(=O)C1=CC=NC(Cl)=C1F)C1=NN=N[N-]1	REAL250004611771	0	31	-1.0	-50.55	281.23	2.82	-47.73
CC(CN(C)C(=O)C1=CC=NC(Cl)=C1F)C1=N[N-]N=N1	REAL250004611771	1	31	-1.0	-50.52	281.17	2.80	-47.72
COCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611772	0	39	-1.0	-46.99	313.58	2.98	-44.01
COCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611772	1	39	-1.0	-46.97	313.64	3.00	-43.97
CCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004611773	0	37	-1.0	-42.86	306.96	2.66	-40.20
CCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004611773	1	37	-1.0	-42.87	306.90	2.64	-40.23
CC(CN(C)C(=O)C(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004611774	0	47	-1.0	-47.37	328.90	5.70	-41.67
CC(CN(C)C(=O)C(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004611774	1	47	-1.0	-47.36	328.95	5.71	-41.65
CC1=CC(F)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611775	0	35	-1.0	-41.48	285.48	4.62	-36.86
CC1=CC(F)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611775	1	35	-1.0	-41.52	285.54	4.63	-36.89
CCC(SC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611776	0	35	-1.0	-46.23	287.73	3.74	-42.49
CCC(SC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611776	1	35	-1.0	-46.20	287.79	3.75	-42.45
CC(CN(C)C(=O)C(C)N1C=CC=C1)C1=N[N-]N=N1	REAL250004611777	0	36	-1.0	-49.63	288.80	4.54	-45.09
CC(CN(C)C(=O)C(C)N1C=CC=C1)C1=NN=N[N-]1	REAL250004611777	1	36	-1.0	-49.61	288.85	4.56	-45.05
CC(=O)CCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611778	0	42	-1.0	-58.12	319.24	4.02	-54.10
CC(=O)CCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611778	1	42	-1.0	-58.09	319.30	4.04	-54.05
CC(CN(C)C(=O)C1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL250004611779	0	39	-1.0	-45.28	305.16	5.03	-40.25
CC(CN(C)C(=O)C1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL250004611779	1	39	-1.0	-45.27	305.22	5.04	-40.23
CCN(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004611780	1	40	-1.0	-46.49	308.37	2.59	-43.90
CCN(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004611780	1	40	-1.0	-46.46	308.43	2.61	-43.85
CC(C)C1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611781	0	37	-1.0	-46.46	313.37	3.24	-43.22
CC(C)C1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611781	1	37	-1.0	-46.45	313.43	3.25	-43.20
CC(CN(C)C(=O)C1=C(C2CC2)ON=C1)C1=N[N-]N=N1	REAL250004611782	0	35	-1.0	-44.47	289.60	3.88	-40.59
CC(CN(C)C(=O)C1=C(C2CC2)ON=C1)C1=NN=N[N-]1	REAL250004611782	1	35	-1.0	-44.46	289.66	3.90	-40.56
CC(CN(C)C(=O)C1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004611783	0	35	-1.0	-54.52	289.10	4.59	-49.93
CC(CN(C)C(=O)C1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004611783	1	35	-1.0	-54.56	289.16	4.60	-49.96
CC(=O)C(C)(C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611784	0	42	-1.0	-56.85	326.56	4.34	-52.51
CC(=O)C(C)(C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611784	1	42	-1.0	-56.89	326.62	4.35	-52.54
C=CC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611785	0	36	-1.0	-57.30	303.36	0.97	-56.33
C=CC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611785	1	36	-1.0	-57.33	303.41	0.99	-56.34
CC(CN(C)C(=O)COC1(C)CCC1)C1=N[N-]N=N1	REAL250004611786	0	39	-1.0	-50.36	307.60	4.29	-46.07
CC(CN(C)C(=O)COC1(C)CCC1)C1=NN=N[N-]1	REAL250004611786	1	39	-1.0	-50.35	307.66	4.31	-46.04
CC(CN(C)C(=O)C1CCCCO1)C1=N[N-]N=N1	REAL250004611787	0	36	-1.0	-46.11	281.14	3.24	-42.87
CC(CN(C)C(=O)C1CCCCO1)C1=NN=N[N-]1	REAL250004611787	1	36	-1.0	-46.13	281.20	3.25	-42.88
CC(CN(C)C(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004611788	0	32	-1.0	-42.03	283.95	4.24	-37.79
CC(CN(C)C(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004611788	1	32	-1.0	-41.96	284.00	4.26	-37.70
CC(CN(C)C(=O)C1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004611789	0	33	-1.0	-45.40	286.17	-0.62	-46.02
CC(CN(C)C(=O)C1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004611789	1	33	-1.0	-45.44	286.22	-0.61	-46.05
CC1=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004611790	0	39	-1.0	-43.28	316.08	5.27	-38.01
CC1=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004611790	1	39	-1.0	-43.28	316.13	5.28	-38.00
CCC(=O)N1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004611791	0	42	-1.0	-53.35	332.22	3.39	-49.96
CCC(=O)N1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611791	1	42	-1.0	-53.32	332.28	3.40	-49.92
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CC(=O)N1	REAL250004611792	0	35	-1.0	-43.58	283.89	1.54	-42.04
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CC(=O)N1	REAL250004611792	1	35	-1.0	-43.59	283.95	1.55	-42.04
CC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1=O	REAL250004611793	0	33	-1.0	-42.77	277.78	-0.20	-42.97
CC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1=O	REAL250004611793	1	33	-1.0	-42.75	277.84	-0.18	-42.93
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611794	0	40	-1.0	-42.19	318.92	3.99	-38.20
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611794	1	40	-1.0	-42.22	318.98	4.01	-38.21
CC(CN(C)C(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004611795	0	47	-1.0	-46.95	344.24	6.28	-40.67
CC(CN(C)C(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004611795	1	47	-1.0	-46.96	344.29	6.29	-40.67
CC(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611796	0	37	-1.0	-58.30	305.18	4.46	-53.84
CC(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611796	1	37	-1.0	-58.30	305.24	4.47	-53.83
CCC(C)OCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611797	0	38	-1.0	-50.18	306.02	4.01	-46.17
CCC(C)OCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611797	1	38	-1.0	-50.18	306.08	4.03	-46.15
CC(C)C(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611798	0	38	-1.0	-50.27	296.63	1.98	-48.29
CC(C)C(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611798	1	38	-1.0	-50.22	296.69	1.99	-48.23
CC1=CC(Cl)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611799	0	35	-1.0	-41.31	295.81	5.06	-36.25
CC1=CC(Cl)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611799	1	35	-1.0	-41.30	295.86	5.07	-36.23
CC(CN(C)C(=O)CC1COC(=O)C1)C1=N[N-]N=N1	REAL250004611801	0	35	-1.0	-49.70	287.45	3.27	-46.43
CC(CN(C)C(=O)CC1COC(=O)C1)C1=NN=N[N-]1	REAL250004611801	1	35	-1.0	-49.75	287.51	3.29	-46.46
CCOC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611802	0	41	-1.0	-40.96	327.24	4.58	-36.38
CCOC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611802	1	41	-1.0	-40.93	327.30	4.60	-36.33
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004611803	0	33	-1.0	-43.66	277.09	3.76	-39.90
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004611803	1	33	-1.0	-43.65	277.15	3.77	-39.88
CC(CN(C)C(=O)C(F)(F)C1(O)CCC1)C1=N[N-]N=N1	REAL250004611804	0	36	-1.0	-40.49	294.20	1.74	-38.75
CC(CN(C)C(=O)C(F)(F)C1(O)CCC1)C1=NN=N[N-]1	REAL250004611804	1	36	-1.0	-40.51	294.26	1.75	-38.76
CCOC(=O)NCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611806	0	42	-1.0	-49.51	345.40	1.57	-47.94
CCOC(=O)NCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611806	1	42	-1.0	-49.55	345.46	1.58	-47.97
CC(CN(C)C(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL250004611807	0	47	-1.0	-42.85	336.74	5.99	-36.86
CC(CN(C)C(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL250004611807	1	47	-1.0	-42.84	336.80	6.01	-36.83
CC(CN(C)C(=O)C1=CC2=C(C=CO2)N1)C1=N[N-]N=N1	REAL250004611808	0	33	-1.0	-45.33	275.29	2.68	-42.65
CC(CN(C)C(=O)C1=CC2=C(C=CO2)N1)C1=NN=N[N-]1	REAL250004611808	1	33	-1.0	-45.34	275.35	2.70	-42.64
CCCC(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611809	0	38	-1.0	-50.78	304.07	2.03	-48.75
CCCC(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611809	1	38	-1.0	-50.78	304.13	2.05	-48.73
CC(CN(C)C(=O)C1=CC2=CN=CN2C=C1)C1=N[N-]N=N1	REAL250004611810	0	35	-1.0	-50.72	291.06	5.50	-45.22
CC(CN(C)C(=O)C1=CC2=CN=CN2C=C1)C1=NN=N[N-]1	REAL250004611810	1	35	-1.0	-50.69	291.12	5.52	-45.17
CC(CN(C)C(=O)C(C)N1CCSCC1)C1=N[N-]N=N1	REAL250004611811	0	41	-1.0	-43.14	315.84	2.42	-40.72
CC(CN(C)C(=O)C(C)N1CCSCC1)C1=NN=N[N-]1	REAL250004611811	1	41	-1.0	-43.17	315.89	2.43	-40.74
CC(CN(C)C(=O)C1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL250004611812	0	39	-1.0	-44.65	304.30	3.45	-41.20
CC(CN(C)C(=O)C1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL250004611812	1	39	-1.0	-44.62	304.35	3.47	-41.15
CC1=NC(Cl)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611813	0	34	-1.0	-45.09	295.21	3.32	-41.77
CC1=NC(Cl)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611813	1	34	-1.0	-45.12	295.27	3.34	-41.78
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)S1	REAL250004611814	0	34	-1.0	-45.55	290.55	3.55	-42.00
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)S1	REAL250004611814	1	34	-1.0	-45.57	290.60	3.57	-42.00
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004611815	0	34	-1.0	-46.13	286.94	2.46	-43.67
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004611815	1	34	-1.0	-46.13	287.00	2.47	-43.66
CC(CN(C)C(=O)C1=CC=C(C#N)N1)C1=N[N-]N=N1	REAL250004611816	0	31	-1.0	-44.78	269.94	2.78	-42.00
CC(CN(C)C(=O)C1=CC=C(C#N)N1)C1=NN=N[N-]1	REAL250004611816	1	31	-1.0	-44.83	270.00	2.79	-42.04
CC(CN(C)C(=O)C1=C2NC=NC2=CC=C1)C1=N[N-]N=N1	REAL250004611817	0	35	-1.0	-48.18	291.32	3.76	-44.42
CC(CN(C)C(=O)C1=C2NC=NC2=CC=C1)C1=NN=N[N-]1	REAL250004611817	1	35	-1.0	-48.18	291.37	3.77	-44.41
CCOC=C(C#N)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611818	0	34	-1.0	-43.47	291.50	2.43	-41.04
CCOC=C(C#N)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611818	1	34	-1.0	-43.46	291.56	2.44	-41.02
CC(CN(C)C(=O)CCCN1C=CC=C1)C1=N[N-]N=N1	REAL250004611819	0	39	-1.0	-51.68	319.11	5.80	-45.88
CC(CN(C)C(=O)CCCN1C=CC=C1)C1=NN=N[N-]1	REAL250004611819	1	39	-1.0	-51.69	319.17	5.81	-45.88
CCCC1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCO1	REAL250004611820	0	45	-1.0	-43.78	342.24	4.44	-39.34
CCCC1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCO1	REAL250004611820	1	45	-1.0	-43.77	342.30	4.46	-39.31
CC(CN(C)C(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL250004611821	0	38	-1.0	-48.68	323.31	5.63	-43.05
CC(CN(C)C(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL250004611821	1	38	-1.0	-48.67	323.36	5.65	-43.02
CC(CN(C)C(=O)C12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004611822	0	39	-1.0	-43.25	290.66	4.58	-38.67
CC(CN(C)C(=O)C12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004611822	1	39	-1.0	-43.28	290.71	4.60	-38.68
CC(CN(C)C(=O)COCC(F)(F)F)C1=N[N-]N=N1	REAL250004611823	0	32	-1.0	-53.83	284.56	2.93	-50.90
CC(CN(C)C(=O)COCC(F)(F)F)C1=NN=N[N-]1	REAL250004611823	1	32	-1.0	-53.88	284.62	2.95	-50.93
CCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004611825	0	34	-1.0	-42.01	284.53	1.49	-40.52
CCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004611825	1	34	-1.0	-42.02	284.59	1.50	-40.52
CC(CN(C)C(=O)C1=NC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL250004611826	0	33	-1.0	-42.55	279.93	1.66	-40.89
CC(CN(C)C(=O)C1=NC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL250004611826	1	33	-1.0	-42.60	279.98	1.67	-40.93
CC1=CC=NC=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611827	0	38	-1.0	-47.84	312.23	4.37	-43.47
CC1=CC=NC=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611827	1	38	-1.0	-47.80	312.29	4.38	-43.42
COC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611829	0	37	-1.0	-55.70	307.36	3.70	-52.00
COC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611829	1	37	-1.0	-55.68	307.42	3.72	-51.96
CC(CN(C)C(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004611830	0	31	-1.0	-40.78	265.79	3.42	-37.36
CC(CN(C)C(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004611830	1	31	-1.0	-40.78	265.73	3.41	-37.37
CC(CN(C)C(=O)C1=CC=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004611831	0	38	-1.0	-46.86	307.87	4.33	-42.53
CC(CN(C)C(=O)C1=CC=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004611831	1	38	-1.0	-46.85	307.93	4.34	-42.51
CO[C@@H](C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611832	0	39	-1.0	-51.08	317.56	4.90	-46.18
CO[C@@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611832	1	39	-1.0	-51.08	317.61	4.91	-46.17
CCC(C)=C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611833	0	38	-1.0	-46.30	300.24	4.81	-41.49
CCC(C)=C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611833	1	38	-1.0	-46.30	300.30	4.83	-41.47
CC1=NSC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611834	0	31	-1.0	-45.02	268.03	2.36	-42.66
CC1=NSC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611834	1	31	-1.0	-45.02	268.08	2.37	-42.65
CC(CN(C)C(=O)C1=CC2=NNN=C2N=C1)C1=N[N-]N=N1	REAL250004611835	0	33	-1.0	-44.39	275.95	0.51	-43.88
CC(CN(C)C(=O)C1=CC2=NNN=C2N=C1)C1=NN=N[N-]1	REAL250004611835	1	33	-1.0	-44.36	276.01	0.53	-43.83
CC(CN(C)C(=O)C1CCCCS1)C1=N[N-]N=N1	REAL250004611836	0	36	-1.0	-43.60	292.26	4.37	-39.23
CC(CN(C)C(=O)C1CCCCS1)C1=NN=N[N-]1	REAL250004611836	1	36	-1.0	-43.60	292.32	4.39	-39.21
CC(CN(C)C(=O)CN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004611837	0	38	-1.0	-55.80	318.14	6.13	-49.67
CC(CN(C)C(=O)CN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004611837	1	38	-1.0	-55.81	318.19	6.15	-49.66
CC(CN(C)C(=O)CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004611838	0	36	-1.0	-59.91	298.10	2.86	-57.05
CC(CN(C)C(=O)CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004611838	1	36	-1.0	-59.88	298.16	2.87	-57.01
C#CCNC(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611839	0	34	-1.0	-59.02	293.75	2.49	-56.53
C#CCNC(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611839	1	34	-1.0	-58.99	293.81	2.51	-56.48
CC(CN(C)C(=O)C1CCCC1C)C1=N[N-]N=N1	REAL250004611840	0	38	-1.0	-43.60	278.78	4.55	-39.05
CC(CN(C)C(=O)C1CCCC1C)C1=NN=N[N-]1	REAL250004611840	1	38	-1.0	-43.63	278.83	4.56	-39.07
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611841	0	44	-1.0	-51.99	338.33	3.70	-48.29
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611841	1	44	-1.0	-52.02	338.38	3.71	-48.31
CC(CN(C)C(=O)C1CCOC1C)C1=N[N-]N=N1	REAL250004611842	0	36	-1.0	-44.93	272.98	2.02	-42.91
CC(CN(C)C(=O)C1CCOC1C)C1=NN=N[N-]1	REAL250004611842	1	36	-1.0	-44.97	273.04	2.03	-42.94
CCC(C)CCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611843	0	46	-1.0	-46.77	352.20	6.39	-40.38
CCC(C)CCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611843	1	46	-1.0	-46.76	352.26	6.41	-40.35
CC(CN(C)C(=O)CCCCC1=NNN=C1)C1=N[N-]N=N1	REAL250004611844	0	40	-1.0	-48.88	328.61	2.54	-46.34
CC(CN(C)C(=O)CCCCC1=NNN=C1)C1=NN=N[N-]1	REAL250004611844	1	40	-1.0	-48.90	328.67	2.56	-46.34
CC1=NOC(C2CC2)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611845	0	38	-1.0	-41.12	320.39	4.79	-36.33
CC1=NOC(C2CC2)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611845	1	38	-1.0	-41.11	320.45	4.81	-36.30
COCCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611846	0	39	-1.0	-52.68	320.15	2.34	-50.34
COCCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611846	1	39	-1.0	-52.71	320.21	2.36	-50.35
CCCCCC(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611847	0	46	-1.0	-47.22	343.27	5.95	-41.27
CCCCCC(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611847	1	46	-1.0	-47.26	343.32	5.96	-41.30
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004611848	0	42	-1.0	-44.50	299.82	2.67	-41.83
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004611848	1	42	-1.0	-44.48	299.88	2.69	-41.79
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CC2=CN=CN21	REAL250004611849	0	38	-1.0	-43.44	307.82	5.61	-37.83
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004611849	1	38	-1.0	-43.50	307.88	5.63	-37.87
CC(CN(C)C(=O)C1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004611850	0	32	-1.0	-43.22	282.15	2.69	-40.53
CC(CN(C)C(=O)C1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004611850	1	32	-1.0	-43.19	282.09	2.68	-40.51
C=CCCOCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611851	0	45	-1.0	-46.82	363.24	5.07	-41.75
C=CCCOCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611851	1	45	-1.0	-46.81	363.30	5.09	-41.72
CC(CN(C)C(=O)C1CCC=CO1)C1=N[N-]N=N1	REAL250004611852	0	34	-1.0	-45.32	270.39	3.47	-41.85
CC(CN(C)C(=O)C1CCC=CO1)C1=NN=N[N-]1	REAL250004611852	1	34	-1.0	-45.35	270.45	3.49	-41.86
CC(CN(C)C(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004611853	0	38	-1.0	-50.00	299.29	3.62	-46.38
CC(CN(C)C(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004611853	1	38	-1.0	-49.96	299.35	3.63	-46.33
CC(CN(C)C(=O)C1=CNC(C#N)=C1)C1=N[N-]N=N1	REAL250004611854	0	31	-1.0	-49.23	267.77	2.20	-47.03
CC(CN(C)C(=O)C1=CNC(C#N)=C1)C1=NN=N[N-]1	REAL250004611854	1	31	-1.0	-49.20	267.82	2.21	-46.99
COCCCC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611855	0	41	-1.0	-46.67	320.61	3.07	-43.60
COCCCC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611855	1	41	-1.0	-46.67	320.67	3.08	-43.59
CC(CN(C)C(=O)C(F)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611856	0	38	-1.0	-46.59	317.14	5.90	-40.69
CC(CN(C)C(=O)C(F)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611856	1	38	-1.0	-46.62	317.20	5.91	-40.71
CC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1O	REAL250004611858	0	39	-1.0	-48.68	321.54	3.01	-45.67
CC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1O	REAL250004611858	1	39	-1.0	-48.66	321.59	3.03	-45.63
CC(CN(C)C(=O)CSC1=NN=NN1C)C1=NN=N[N-]1	REAL250004611859	0	34	-1.0	-46.75	303.70	1.75	-45.00
CC(CN(C)C(=O)CSC1=NN=NN1C)C1=N[N-]N=N1	REAL250004611859	1	34	-1.0	-46.72	303.64	1.73	-44.99
CCC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611860	0	37	-1.0	-43.67	302.71	4.74	-38.93
CCC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611860	1	37	-1.0	-43.66	302.77	4.75	-38.91
CC1=CC=CC(C)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611861	0	41	-1.0	-48.08	324.53	6.16	-41.92
CC1=CC=CC(C)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611861	1	41	-1.0	-48.09	324.58	6.17	-41.92
CC(CN(C)C(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL250004611862	0	39	-1.0	-46.87	326.99	5.99	-40.88
CC(CN(C)C(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL250004611862	1	39	-1.0	-46.89	327.05	6.00	-40.89
CC1=NC(N)=NC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611863	0	38	-1.0	-44.77	314.47	2.62	-42.15
CC1=NC(N)=NC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611863	1	38	-1.0	-44.73	314.53	2.64	-42.09
COC1=NC(C)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611864	0	38	-1.0	-48.70	310.06	2.35	-46.35
COC1=NC(C)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611864	1	38	-1.0	-48.68	310.11	2.36	-46.32
CC(CN(C)C(=O)C=C1CCSCC1)C1=N[N-]N=N1	REAL250004611865	0	37	-1.0	-41.88	299.37	4.68	-37.20
CC(CN(C)C(=O)C=C1CCSCC1)C1=NN=N[N-]1	REAL250004611865	1	37	-1.0	-41.89	299.43	4.70	-37.19
CCCC(CCC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611866	0	46	-1.0	-46.66	343.96	6.21	-40.45
CCCC(CCC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611866	1	46	-1.0	-46.70	344.01	6.22	-40.48
CC(CN(C)C(=O)CCCC(F)(F)F)C1=N[N-]N=N1	REAL250004611867	0	34	-1.0	-50.30	291.54	4.06	-46.24
CC(CN(C)C(=O)CCCC(F)(F)F)C1=NN=N[N-]1	REAL250004611867	1	34	-1.0	-50.30	291.60	4.08	-46.22
CCCC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)CCC	REAL250004611868	0	44	-1.0	-45.15	342.29	6.45	-38.70
CCCC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)CCC	REAL250004611868	1	44	-1.0	-45.15	342.35	6.46	-38.69
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1O	REAL250004611869	0	36	-1.0	-47.29	294.95	1.96	-45.33
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1O	REAL250004611869	1	36	-1.0	-47.32	295.01	1.97	-45.35
CC(CN(C)C(=O)C1=CC=C2C=CNC2=N1)C1=N[N-]N=N1	REAL250004611870	0	35	-1.0	-45.49	291.28	4.37	-41.12
CC(CN(C)C(=O)C1=CC=C2C=CNC2=N1)C1=NN=N[N-]1	REAL250004611870	1	35	-1.0	-45.47	291.34	4.39	-41.08
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)NC=C1	REAL250004611871	0	35	-1.0	-57.93	289.26	1.56	-56.37
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)NC=C1	REAL250004611871	1	35	-1.0	-57.92	289.32	1.57	-56.35
CC1=CC(O)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611872	0	36	-1.0	-47.73	296.36	1.87	-45.86
CC1=CC(O)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611872	1	36	-1.0	-47.70	296.41	1.88	-45.82
CSC(C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611873	0	38	-1.0	-46.50	312.88	4.66	-41.84
CSC(C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611873	1	38	-1.0	-46.54	312.94	4.67	-41.87
CC(CN(C)C(=O)C1=CC=C2C=CC=NN21)C1=NN=N[N-]1	REAL250004611874	0	35	-1.0	-54.54	289.47	3.81	-50.73
CC(CN(C)C(=O)C1=CC=C2C=CC=NN21)C1=N[N-]N=N1	REAL250004611874	1	35	-1.0	-54.58	289.41	3.80	-50.78
CC(CN(C)C(=O)C1=CC=C(O)C=C1F)C1=N[N-]N=N1	REAL250004611875	0	33	-1.0	-51.50	281.91	1.30	-50.20
CC(CN(C)C(=O)C1=CC=C(O)C=C1F)C1=NN=N[N-]1	REAL250004611875	1	33	-1.0	-51.51	281.97	1.31	-50.20
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611876	0	36	-1.0	-46.38	292.30	2.28	-44.10
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611876	1	36	-1.0	-46.42	292.36	2.29	-44.13
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004611877	0	36	-1.0	-41.03	294.22	2.65	-38.38
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004611877	1	36	-1.0	-41.07	294.28	2.67	-38.40
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004611878	0	38	-1.0	-46.37	318.41	2.46	-43.91
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004611878	1	38	-1.0	-46.38	318.47	2.47	-43.91
CC(CN(C)C(=O)C(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611879	0	39	-1.0	-47.94	322.94	5.86	-42.08
CC(CN(C)C(=O)C(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611879	1	39	-1.0	-47.95	323.00	5.87	-42.08
CCC1=NN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611880	0	38	-1.0	-49.95	309.42	3.16	-46.79
CCC1=NN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611880	1	38	-1.0	-50.00	309.48	3.17	-46.83
CC(CN(C)C(=O)C1=CC2=C(CCC2)N1)C1=N[N-]N=N1	REAL250004611881	0	37	-1.0	-45.07	293.90	4.34	-40.73
CC(CN(C)C(=O)C1=CC2=C(CCC2)N1)C1=NN=N[N-]1	REAL250004611881	1	37	-1.0	-45.03	293.95	4.36	-40.67
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C(C)C	REAL250004611882	0	41	-1.0	-43.89	326.81	3.82	-40.07
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C(C)C	REAL250004611882	1	41	-1.0	-43.89	326.87	3.83	-40.06
CC(CN(C)C(=O)C(C)(Cl)Cl)C1=N[N-]N=N1	REAL250004611883	0	28	-1.0	-39.80	255.00	2.87	-36.93
CC(CN(C)C(=O)C(C)(Cl)Cl)C1=NN=N[N-]1	REAL250004611883	1	28	-1.0	-39.83	255.06	2.89	-36.94
CC1=CC(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=C1	REAL250004611884	0	42	-1.0	-47.59	342.32	6.93	-40.66
CC1=CC(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=C1	REAL250004611884	1	42	-1.0	-47.60	342.37	6.95	-40.65
COC(=O)C1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611885	0	34	-1.0	-42.93	299.74	2.37	-40.56
COC(=O)C1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611885	1	34	-1.0	-42.91	299.68	2.35	-40.56
COCC(=O)N(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611886	0	39	-1.0	-56.42	321.30	2.32	-54.10
COCC(=O)N(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611886	1	39	-1.0	-56.40	321.35	2.34	-54.06
CC(CN(C)C(=O)C1(O)CCSC1)C1=N[N-]N=N1	REAL250004611887	0	34	-1.0	-45.55	277.28	0.59	-44.96
CC(CN(C)C(=O)C1(O)CCSC1)C1=NN=N[N-]1	REAL250004611887	1	34	-1.0	-45.51	277.33	0.60	-44.91
CC(CN(C)C(=O)C1SCCS1)C1=N[N-]N=N1	REAL250004611888	0	31	-1.0	-43.35	268.96	3.31	-40.04
CC(CN(C)C(=O)C1SCCS1)C1=NN=N[N-]1	REAL250004611888	1	31	-1.0	-43.35	269.02	3.32	-40.03
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)N=N1	REAL250004611889	0	36	-1.0	-46.27	294.72	2.42	-43.85
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)N=N1	REAL250004611889	1	36	-1.0	-46.28	294.78	2.44	-43.84
CCOC(=O)C(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611890	0	40	-1.0	-55.04	312.98	4.68	-50.36
CCOC(=O)C(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611890	1	40	-1.0	-55.08	313.03	4.70	-50.38
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004611891	0	36	-1.0	-55.78	299.29	3.44	-52.34
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004611891	1	36	-1.0	-55.76	299.35	3.46	-52.30
CC(CN(C)C(=O)C1=CNC2=NC=NC2=C1)C1=N[N-]N=N1	REAL250004611892	0	34	-1.0	-46.78	283.40	2.88	-43.90
CC(CN(C)C(=O)C1=CNC2=NC=NC2=C1)C1=NN=N[N-]1	REAL250004611892	1	34	-1.0	-46.76	283.45	2.89	-43.87
CC1=CN=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611893	0	34	-1.0	-49.96	297.13	3.01	-46.95
CC1=CN=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611893	1	34	-1.0	-49.97	297.19	3.03	-46.94
CC(CN(C)C(=O)C1CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004611894	0	44	-1.0	-43.01	322.48	5.33	-37.68
CC(CN(C)C(=O)C1CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004611894	1	44	-1.0	-42.99	322.54	5.34	-37.65
CC(CN(C)C(=O)C1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL250004611895	0	31	-1.0	-42.37	266.19	3.27	-39.10
CC(CN(C)C(=O)C1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL250004611895	1	31	-1.0	-42.40	266.14	3.26	-39.14
CC(=O)CCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611896	0	45	-1.0	-49.94	361.10	5.93	-44.01
CC(=O)CCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611896	1	45	-1.0	-49.98	361.16	5.94	-44.04
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004611897	0	39	-1.0	-50.07	313.03	4.82	-45.25
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004611897	1	39	-1.0	-50.07	313.09	4.84	-45.23
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004611898	0	35	-1.0	-49.78	297.00	1.79	-47.99
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004611898	1	35	-1.0	-49.79	297.06	1.80	-47.99
CC(CN(C)C(=O)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL250004611899	0	34	-1.0	-49.81	300.79	2.62	-47.19
CC(CN(C)C(=O)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL250004611899	1	34	-1.0	-49.85	300.73	2.61	-47.24
CC(CN(C)C(=O)C(C)N1C=NC=N1)C1=NN=N[N-]1	REAL250004611900	0	34	-1.0	-52.07	281.14	4.06	-48.01
CC(CN(C)C(=O)C(C)N1C=NC=N1)C1=N[N-]N=N1	REAL250004611900	1	34	-1.0	-52.08	281.08	4.05	-48.03
CC1=C(C#N)C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004611901	0	35	-1.0	-51.35	308.82	3.70	-47.65
CC1=C(C#N)C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004611901	1	35	-1.0	-51.36	308.88	3.72	-47.64
CC(CN(C)C(=O)C1CCC2=NNC=C2C1)C1=N[N-]N=N1	REAL250004611902	0	39	-1.0	-45.72	304.46	2.89	-42.83
CC(CN(C)C(=O)C1CCC2=NNC=C2C1)C1=NN=N[N-]1	REAL250004611902	1	39	-1.0	-45.73	304.52	2.91	-42.82
CC(CN(C)C(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004611903	0	37	-1.0	-46.15	313.14	4.22	-41.93
CC(CN(C)C(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004611903	1	37	-1.0	-46.13	313.09	4.21	-41.92
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004611904	0	32	-1.0	-43.03	284.96	4.63	-38.40
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004611904	1	32	-1.0	-43.02	285.02	4.64	-38.38
COC(=O)N[C@@H](C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611905	0	36	-1.0	-45.26	296.15	-0.17	-45.43
COC(=O)N[C@@H](C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611905	1	36	-1.0	-45.26	296.20	-0.16	-45.42
CC(CN(C)C(=O)C1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL250004611906	0	36	-1.0	-50.62	305.53	5.25	-45.37
CC(CN(C)C(=O)C1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL250004611906	1	36	-1.0	-50.66	305.58	5.26	-45.40
CC(CN(C)C(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL250004611907	0	44	-1.0	-49.66	352.98	6.12	-43.54
CC(CN(C)C(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL250004611907	1	44	-1.0	-49.69	353.04	6.14	-43.55
C#CCOCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611908	0	34	-1.0	-46.29	291.72	2.71	-43.58
C#CCOCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611908	1	34	-1.0	-46.25	291.78	2.72	-43.53
CC(CN(C)C(=O)C(C)(C)C1CCCC1)C1=N[N-]N=N1	REAL250004611909	0	44	-1.0	-47.66	312.25	5.06	-42.60
CC(CN(C)C(=O)C(C)(C)C1CCCC1)C1=NN=N[N-]1	REAL250004611909	1	44	-1.0	-47.68	312.30	5.07	-42.61
C=C(C)C(CC(=O)N(C)CC(C)C1=N[N-]N=N1)OCC	REAL250004611910	0	42	-1.0	-47.49	338.66	4.90	-42.59
C=C(C)C(CC(=O)N(C)CC(C)C1=NN=N[N-]1)OCC	REAL250004611910	1	42	-1.0	-47.51	338.72	4.92	-42.59
CC(CN(C)C(=O)CC(C)(O)C1CC1)C1=N[N-]N=N1	REAL250004611911	0	39	-1.0	-49.55	302.45	2.53	-47.02
CC(CN(C)C(=O)CC(C)(O)C1CC1)C1=NN=N[N-]1	REAL250004611911	1	39	-1.0	-49.54	302.50	2.54	-47.00
CC(CN(C)C(=O)C(C1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL250004611912	0	42	-1.0	-43.89	337.05	7.02	-36.87
CC(CN(C)C(=O)C(C1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL250004611912	1	42	-1.0	-43.87	337.10	7.03	-36.84
CCC(CC)C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611913	0	43	-1.0	-46.46	314.42	4.94	-41.52
CCC(CC)C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611913	1	43	-1.0	-46.50	314.47	4.95	-41.55
CC1=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004611914	0	41	-1.0	-49.12	332.09	4.10	-45.02
CC1=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004611914	1	41	-1.0	-49.09	332.15	4.12	-44.97
COC1CCC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611915	0	45	-1.0	-46.82	340.64	4.52	-42.30
COC1CCC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611915	1	45	-1.0	-46.85	340.69	4.54	-42.31
CC(CN(C)C(=O)C1CCOC(C)C1)C1=N[N-]N=N1	REAL250004611916	0	39	-1.0	-44.06	298.65	2.74	-41.32
CC(CN(C)C(=O)C1CCOC(C)C1)C1=NN=N[N-]1	REAL250004611916	1	39	-1.0	-44.04	298.71	2.76	-41.28
CC(CN(C)C(=O)C1CCC(C)C1)C1=N[N-]N=N1	REAL250004611917	0	38	-1.0	-43.10	293.16	4.50	-38.60
CC(CN(C)C(=O)C1CCC(C)C1)C1=NN=N[N-]1	REAL250004611917	1	38	-1.0	-43.10	293.22	4.52	-38.58
CC1=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004611918	0	39	-1.0	-50.32	321.28	3.90	-46.42
CC1=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004611918	1	39	-1.0	-50.34	321.34	3.91	-46.43
CC(CN(C)C(=O)C1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004611919	0	33	-1.0	-45.66	281.12	1.29	-44.37
CC(CN(C)C(=O)C1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004611919	1	33	-1.0	-45.65	281.18	1.31	-44.34
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004611920	0	44	-1.0	-48.30	310.96	5.00	-43.30
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004611920	1	44	-1.0	-48.30	311.02	5.02	-43.28
CNC1=NN=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611921	0	35	-1.0	-50.35	308.00	1.35	-49.00
CNC1=NN=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611921	1	35	-1.0	-50.32	308.05	1.37	-48.95
CCC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004611922	0	39	-1.0	-46.74	325.62	5.39	-41.35
CCC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004611922	1	39	-1.0	-46.77	325.68	5.41	-41.36
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004611923	0	38	-1.0	-42.39	315.62	5.10	-37.29
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004611923	1	38	-1.0	-42.35	315.68	5.12	-37.23
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004611924	0	39	-1.0	-43.65	321.12	3.24	-40.41
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004611924	1	39	-1.0	-43.63	321.17	3.25	-40.38
CC(CN(C)C(=O)C1=CC=CN=C1C(N)=O)C1=NN=N[N-]1	REAL250004611925	0	35	-1.0	-54.31	295.08	0.59	-53.72
CC(CN(C)C(=O)C1=CC=CN=C1C(N)=O)C1=N[N-]N=N1	REAL250004611925	1	35	-1.0	-54.32	295.02	0.57	-53.75
CC(CN(C)C(=O)C1=CC=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL250004611926	0	39	-1.0	-44.78	312.68	3.72	-41.06
CC(CN(C)C(=O)C1=CC=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL250004611926	1	39	-1.0	-44.81	312.62	3.71	-41.10
CC(CN(C)C(=O)CN1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004611927	0	41	-1.0	-53.37	321.99	0.46	-52.91
CC(CN(C)C(=O)CN1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004611927	1	41	-1.0	-53.34	322.04	0.47	-52.87
CC(CN(C)C(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL250004611928	0	32	-1.0	-46.17	268.57	1.75	-44.42
CC(CN(C)C(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL250004611928	1	32	-1.0	-46.17	268.63	1.77	-44.40
CC(CN(C)C(=O)C1CC12CCOC2)C1=N[N-]N=N1	REAL250004611929	0	37	-1.0	-48.57	293.51	2.84	-45.73
CC(CN(C)C(=O)C1CC12CCOC2)C1=NN=N[N-]1	REAL250004611929	1	37	-1.0	-48.56	293.57	2.86	-45.70
CC(CN(C)C(=O)C1=C(N)N(C)N=C1)C1=NN=N[N-]1	REAL250004611930	0	34	-1.0	-46.89	278.52	0.75	-46.14
CC(CN(C)C(=O)C1=C(N)N(C)N=C1)C1=N[N-]N=N1	REAL250004611930	1	34	-1.0	-46.84	278.47	0.73	-46.11
CCCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004611931	0	37	-1.0	-41.62	306.03	2.26	-39.36
CCCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004611931	1	37	-1.0	-41.63	306.09	2.27	-39.36
CC(CN(C)C(=O)C1=CCOCC1)C1=N[N-]N=N1	REAL250004611932	0	34	-1.0	-46.83	270.06	1.84	-44.99
CC(CN(C)C(=O)C1=CCOCC1)C1=NN=N[N-]1	REAL250004611932	1	34	-1.0	-46.82	270.12	1.86	-44.96
CC(CN(C)C(=O)C1=COC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004611933	0	35	-1.0	-41.95	295.48	2.27	-39.68
CC(CN(C)C(=O)C1=COC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004611933	1	35	-1.0	-41.93	295.54	2.29	-39.64
CCC(C)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611934	0	40	-1.0	-47.68	290.48	3.82	-43.86
CCC(C)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611934	1	40	-1.0	-47.69	290.54	3.83	-43.86
CC(CN(C)C(=O)C1=CSC(=O)N1)C1=N[N-]N=N1	REAL250004611935	0	29	-1.0	-42.38	259.65	0.63	-41.75
CC(CN(C)C(=O)C1=CSC(=O)N1)C1=NN=N[N-]1	REAL250004611935	1	29	-1.0	-42.40	259.70	0.64	-41.76
CC(CN(C)C(=O)C(F)(F)C(C)(C)O)C1=N[N-]N=N1	REAL250004611936	0	35	-1.0	-42.63	284.57	1.42	-41.21
CC(CN(C)C(=O)C(F)(F)C(C)(C)O)C1=NN=N[N-]1	REAL250004611936	1	35	-1.0	-42.67	284.62	1.44	-41.23
CC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1	REAL250004611937	0	35	-1.0	-48.62	290.59	2.49	-46.13
CC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1	REAL250004611937	1	35	-1.0	-48.63	290.65	2.51	-46.12
COC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611938	0	35	-1.0	-42.61	293.33	3.27	-39.34
COC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611938	1	35	-1.0	-42.63	293.38	3.28	-39.35
CC(CN(C)C(=O)C1=C2C=CC=NN2N=C1)C1=NN=N[N-]1	REAL250004611939	0	34	-1.0	-51.87	288.78	2.16	-49.71
CC(CN(C)C(=O)C1=C2C=CC=NN2N=C1)C1=N[N-]N=N1	REAL250004611939	1	34	-1.0	-51.87	288.73	2.14	-49.73
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC(C2CC2)=N1	REAL250004611940	0	38	-1.0	-43.81	313.78	2.31	-41.50
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC(C2CC2)=N1	REAL250004611940	1	38	-1.0	-43.82	313.84	2.33	-41.49
CC(CN(C)C(=O)C1(C)CCOC1)C1=N[N-]N=N1	REAL250004611941	0	36	-1.0	-45.55	274.53	1.54	-44.01
CC(CN(C)C(=O)C1(C)CCOC1)C1=NN=N[N-]1	REAL250004611941	1	36	-1.0	-45.56	274.59	1.55	-44.01
CC(CCC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611942	0	46	-1.0	-46.66	342.17	5.69	-40.97
CC(CCC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611942	1	46	-1.0	-46.64	342.23	5.70	-40.94
CC(CN(C)C(=O)C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004611943	0	34	-1.0	-39.60	291.14	4.41	-35.19
CC(CN(C)C(=O)C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004611943	1	34	-1.0	-39.60	291.20	4.43	-35.17
COCCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611944	0	41	-1.0	-49.96	308.22	2.41	-47.55
COCCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611944	1	41	-1.0	-50.00	308.27	2.42	-47.58
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1C	REAL250004611945	0	39	-1.0	-47.16	318.19	2.16	-45.00
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1C	REAL250004611945	1	39	-1.0	-47.15	318.25	2.18	-44.97
CC(CN(C)C(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004611946	0	45	-1.0	-46.80	336.08	4.14	-42.66
CC(CN(C)C(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004611946	1	45	-1.0	-46.79	336.13	4.16	-42.63
CC(CN(C)C(=O)C(=O)N1CCC(C)CC1)C1=N[N-]N=N1	REAL250004611947	0	42	-1.0	-43.54	330.98	3.32	-40.22
CC(CN(C)C(=O)C(=O)N1CCC(C)CC1)C1=NN=N[N-]1	REAL250004611947	1	42	-1.0	-43.55	331.04	3.33	-40.22
CC(CN(C)C(=O)C(=O)N1CCCC(C)C1)C1=N[N-]N=N1	REAL250004611948	0	42	-1.0	-42.53	331.23	3.28	-39.25
CC(CN(C)C(=O)C(=O)N1CCCC(C)C1)C1=NN=N[N-]1	REAL250004611948	1	42	-1.0	-42.50	331.29	3.29	-39.21
CC(CN(C)C(=O)C1=CC=CC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004611949	0	35	-1.0	-45.96	295.42	0.15	-45.81
CC(CN(C)C(=O)C1=CC=CC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004611949	1	35	-1.0	-46.01	295.36	0.14	-45.87
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611950	0	36	-1.0	-43.80	283.77	2.47	-41.33
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611950	1	36	-1.0	-43.77	283.82	2.48	-41.29
COC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004611951	0	32	-1.0	-41.49	275.59	-0.21	-41.70
COC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004611951	1	32	-1.0	-41.52	275.54	-0.22	-41.74
CCOC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004611952	0	35	-1.0	-41.48	295.89	0.35	-41.13
CCOC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004611952	1	35	-1.0	-41.49	295.84	0.34	-41.15
CCC1=NN=C(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611953	0	39	-1.0	-42.93	312.57	3.11	-39.82
CCC1=NN=C(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611953	1	39	-1.0	-42.96	312.63	3.13	-39.83
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)N=N1	REAL250004611954	0	39	-1.0	-45.79	315.49	3.19	-42.60
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)N=N1	REAL250004611954	1	39	-1.0	-45.77	315.55	3.20	-42.57
CC(CN(C)C(=O)C1=COC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004611955	0	33	-1.0	-51.19	282.32	-1.04	-52.23
CC(CN(C)C(=O)C1=COC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004611955	1	33	-1.0	-51.23	282.37	-1.02	-52.25
CC(CN(C)C(=O)C1CC2(CC(C#N)C2)C1)C1=N[N-]N=N1	REAL250004611956	0	40	-1.0	-50.28	325.10	5.55	-44.73
CC(CN(C)C(=O)C1CC2(CC(C#N)C2)C1)C1=NN=N[N-]1	REAL250004611956	1	40	-1.0	-50.30	325.15	5.56	-44.74
CCC1CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCO1	REAL250004611957	0	45	-1.0	-46.78	343.29	4.58	-42.20
CCC1CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCO1	REAL250004611957	1	45	-1.0	-46.75	343.35	4.60	-42.15
CC(CN(C)C(=O)C=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004611958	0	37	-1.0	-48.86	310.49	2.78	-46.08
CC(CN(C)C(=O)C=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004611958	1	37	-1.0	-48.86	310.55	2.80	-46.06
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1O	REAL250004611959	0	37	-1.0	-48.34	304.12	1.20	-47.14
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1O	REAL250004611959	1	37	-1.0	-48.36	304.17	1.21	-47.15
CC(CN(C)C(=O)CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004611960	0	36	-1.0	-50.57	301.45	2.26	-48.31
CC(CN(C)C(=O)CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004611960	1	36	-1.0	-50.56	301.51	2.27	-48.29
CC(CN(C)C(=O)CCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004611961	0	39	-1.0	-47.27	322.85	3.07	-44.20
CC(CN(C)C(=O)CCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004611961	1	39	-1.0	-47.24	322.91	3.08	-44.16
CC(CN(C)C(=O)C1=CC=CC2=NNN=C21)C1=N[N-]N=N1	REAL250004611962	0	34	-1.0	-51.01	286.42	1.40	-49.61
CC(CN(C)C(=O)C1=CC=CC2=NNN=C21)C1=NN=N[N-]1	REAL250004611962	1	34	-1.0	-51.02	286.48	1.42	-49.60
CCNC(=O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611964	0	35	-1.0	-59.90	287.98	1.99	-57.91
CCNC(=O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611964	1	35	-1.0	-59.92	288.04	2.01	-57.91
CNC(=O)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611965	0	38	-1.0	-59.83	311.52	1.22	-58.61
CNC(=O)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611965	1	38	-1.0	-59.84	311.57	1.24	-58.60
CC(CN(C)C(=O)C1(C)CCCCCC1)C1=N[N-]N=N1	REAL250004611966	0	44	-1.0	-42.75	297.89	5.52	-37.23
CC(CN(C)C(=O)C1(C)CCCCCC1)C1=NN=N[N-]1	REAL250004611966	1	44	-1.0	-42.76	297.95	5.53	-37.23
CC(CN(C)C(=O)C1=CC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL250004611967	0	32	-1.0	-45.21	292.60	1.60	-43.61
CC(CN(C)C(=O)C1=CC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL250004611967	1	32	-1.0	-45.22	292.66	1.62	-43.60
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004611968	0	38	-1.0	-48.99	310.27	3.75	-45.24
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004611968	1	38	-1.0	-48.98	310.32	3.77	-45.21
CC(CN(C)C(=O)C1=CC2=NC=CN=C2N=C1)C1=NN=N[N-]1	REAL250004611969	0	35	-1.0	-48.36	294.05	1.44	-46.92
CC(CN(C)C(=O)C1=CC2=NC=CN=C2N=C1)C1=N[N-]N=N1	REAL250004611969	1	35	-1.0	-48.36	293.99	1.43	-46.93
CC(CN(C)C(=O)C1(C)CCCOC1)C1=N[N-]N=N1	REAL250004611970	0	39	-1.0	-49.24	287.80	2.30	-46.94
CC(CN(C)C(=O)C1(C)CCCOC1)C1=NN=N[N-]1	REAL250004611970	1	39	-1.0	-49.25	287.85	2.32	-46.93
C#CCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611971	0	39	-1.0	-49.31	322.18	5.75	-43.56
C#CCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611971	1	39	-1.0	-49.29	322.24	5.77	-43.52
CC(CN(C)C(=O)C1CC(C)CC(C)C1)C1=N[N-]N=N1	REAL250004611972	0	44	-1.0	-43.47	321.57	5.41	-38.06
CC(CN(C)C(=O)C1CC(C)CC(C)C1)C1=NN=N[N-]1	REAL250004611972	1	44	-1.0	-43.48	321.63	5.43	-38.05
CC(CN(C)C(=O)C1CCC(C)(C)C1)C1=N[N-]N=N1	REAL250004611973	0	41	-1.0	-43.07	310.72	4.97	-38.10
CC(CN(C)C(=O)C1CCC(C)(C)C1)C1=NN=N[N-]1	REAL250004611973	1	41	-1.0	-43.09	310.78	4.99	-38.10
CCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611974	0	38	-1.0	-47.36	309.73	3.43	-43.93
CCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611974	1	38	-1.0	-47.44	309.67	3.42	-44.02
COC(C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611975	0	38	-1.0	-47.16	305.12	2.72	-44.44
COC(C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611975	1	38	-1.0	-47.17	305.18	2.74	-44.43
CC(CN(C)C(=O)C1=CC=CN=C1C1CC1)C1=N[N-]N=N1	REAL250004611976	0	38	-1.0	-47.72	308.60	4.66	-43.06
CC(CN(C)C(=O)C1=CC=CN=C1C1CC1)C1=NN=N[N-]1	REAL250004611976	1	38	-1.0	-47.74	308.66	4.67	-43.07
CC(CN(C)C(=O)[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611977	0	38	-1.0	-48.28	301.55	5.35	-42.93
CC(CN(C)C(=O)[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611977	1	38	-1.0	-48.23	301.60	5.37	-42.86
CC(CN(C)C(=O)[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004611978	0	38	-1.0	-44.18	301.21	5.35	-38.83
CC(CN(C)C(=O)[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004611978	1	38	-1.0	-44.19	301.26	5.36	-38.83
CCC1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCO1	REAL250004611979	0	42	-1.0	-43.28	310.51	3.43	-39.85
CCC1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCO1	REAL250004611979	1	42	-1.0	-43.30	310.57	3.45	-39.85
CC(C)CN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004611980	0	41	-1.0	-47.44	329.53	4.20	-43.24
CC(C)CN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004611980	1	41	-1.0	-47.41	329.47	4.19	-43.22
CCC(C)C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611981	0	40	-1.0	-46.46	299.92	4.39	-42.07
CCC(C)C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611981	1	40	-1.0	-46.48	299.98	4.41	-42.07
CC(C)OCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611982	0	41	-1.0	-49.67	327.70	3.67	-46.00
CC(C)OCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611982	1	41	-1.0	-49.67	327.76	3.69	-45.98
CC(CN(C)C(=O)[C@@H]1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004611983	0	36	-1.0	-53.68	290.45	2.04	-51.64
CC(CN(C)C(=O)[C@@H]1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004611983	1	36	-1.0	-53.63	290.51	2.06	-51.57
CC(CN(C)C(=O)C(=O)NCC(F)F)C1=N[N-]N=N1	REAL250004611984	0	32	-1.0	-43.67	280.16	0.18	-43.49
CC(CN(C)C(=O)C(=O)NCC(F)F)C1=NN=N[N-]1	REAL250004611984	1	32	-1.0	-43.66	280.22	0.19	-43.47
C=CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611985	0	39	-1.0	-43.89	300.19	4.71	-39.18
C=CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611985	1	39	-1.0	-43.87	300.25	4.73	-39.14
CC(CN(C)C(=O)C1=NN2CCCOC2=C1)C1=NN=N[N-]1	REAL250004611986	0	37	-1.0	-48.93	302.18	1.58	-47.35
CC(CN(C)C(=O)C1=NN2CCCOC2=C1)C1=N[N-]N=N1	REAL250004611986	1	37	-1.0	-48.89	302.12	1.56	-47.33
CC(CN(C)C(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004611987	0	39	-1.0	-43.43	311.15	6.10	-37.33
CC(CN(C)C(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004611987	1	39	-1.0	-43.44	311.21	6.12	-37.32
COC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611988	0	39	-1.0	-46.00	303.31	3.06	-42.94
COC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611988	1	39	-1.0	-45.99	303.37	3.07	-42.92
CC(CN(C)C(=O)C1CCCOC1C)C1=N[N-]N=N1	REAL250004611989	0	39	-1.0	-45.98	290.70	3.41	-42.57
CC(CN(C)C(=O)C1CCCOC1C)C1=NN=N[N-]1	REAL250004611989	1	39	-1.0	-45.96	290.76	3.42	-42.54
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCO1	REAL250004611990	0	40	-1.0	-46.24	313.00	4.18	-42.06
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCO1	REAL250004611990	1	40	-1.0	-46.24	313.06	4.19	-42.05
CC(CN(C)C(=O)C1=CNN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004611991	0	31	-1.0	-55.35	270.50	2.94	-52.41
CC(CN(C)C(=O)C1=CNN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004611991	1	31	-1.0	-55.38	270.56	2.96	-52.42
CC(=O)OC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004611992	0	35	-1.0	-49.77	293.70	3.84	-45.93
CC(=O)OC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611992	1	35	-1.0	-49.75	293.75	3.85	-45.90
CC(CN(C)C(=O)C1(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL250004611993	0	39	-1.0	-41.65	311.04	2.49	-39.16
CC(CN(C)C(=O)C1(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL250004611993	1	39	-1.0	-41.66	311.09	2.50	-39.16
CC(=O)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004611994	0	40	-1.0	-53.05	308.60	5.09	-47.96
CC(=O)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004611994	1	40	-1.0	-53.02	308.66	5.10	-47.92
CC1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1Cl	REAL250004611995	0	32	-1.0	-48.18	286.95	4.07	-44.11
CC1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1Cl	REAL250004611995	1	32	-1.0	-48.19	287.01	4.08	-44.11
CC(CN(C)C(=O)C1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004611996	0	42	-1.0	-47.17	328.10	6.65	-40.52
CC(CN(C)C(=O)C1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004611996	1	42	-1.0	-47.14	328.16	6.67	-40.47
CC(CN(C)C(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004611997	0	37	-1.0	-47.08	306.01	4.14	-42.94
CC(CN(C)C(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004611997	1	37	-1.0	-47.07	306.06	4.15	-42.92
CC(CN(C)C(=O)C1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004611998	0	29	-1.0	-42.49	269.34	3.50	-38.99
CC(CN(C)C(=O)C1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004611998	1	29	-1.0	-42.44	269.39	3.51	-38.93
CC(CN(C)C(=O)CCC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004611999	0	36	-1.0	-46.63	300.98	3.93	-42.70
CC(CN(C)C(=O)CCC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004611999	1	36	-1.0	-46.63	301.04	3.95	-42.68
CCC(C(=O)OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612001	0	37	-1.0	-51.02	303.52	3.33	-47.69
CCC(C(=O)OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612001	1	37	-1.0	-51.04	303.58	3.34	-47.70
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(O)=C1	REAL250004612002	0	39	-1.0	-47.96	318.28	3.02	-44.94
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(O)=C1	REAL250004612002	1	39	-1.0	-47.96	318.33	3.04	-44.92
CC(CN(C)C(=O)C1(C)CCCCC1)C1=N[N-]N=N1	REAL250004612003	0	41	-1.0	-47.54	294.75	4.52	-43.02
CC(CN(C)C(=O)C1(C)CCCCC1)C1=NN=N[N-]1	REAL250004612003	1	41	-1.0	-47.53	294.81	4.53	-43.00
CC(CN(C)C(=O)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004612004	0	30	-1.0	-39.47	271.06	1.87	-37.60
CC(CN(C)C(=O)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004612004	1	30	-1.0	-39.52	271.00	1.86	-37.66
CC(CN(C)C(=O)C1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004612005	0	29	-1.0	-44.08	270.95	3.62	-40.46
CC(CN(C)C(=O)C1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004612005	1	29	-1.0	-44.06	271.01	3.64	-40.42
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004612006	0	43	-1.0	-51.11	319.29	5.57	-45.54
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004612006	1	43	-1.0	-51.10	319.34	5.58	-45.52
COC1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612007	0	42	-1.0	-51.17	312.58	3.24	-47.93
COC1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612007	1	42	-1.0	-51.16	312.64	3.26	-47.90
CC(CN(C)C(=O)C1(C2=CC=CN=C2)CC1)C1=NN=N[N-]1	REAL250004612008	0	38	-1.0	-43.22	307.50	4.04	-39.18
CC(CN(C)C(=O)C1(C2=CC=CN=C2)CC1)C1=N[N-]N=N1	REAL250004612008	1	38	-1.0	-43.24	307.45	4.02	-39.22
CC(CN(C)C(=O)C1=CNC=C(F)C1=O)C1=N[N-]N=N1	REAL250004612009	0	32	-1.0	-66.43	281.25	2.02	-64.41
CC(CN(C)C(=O)C1=CNC=C(F)C1=O)C1=NN=N[N-]1	REAL250004612009	1	32	-1.0	-66.46	281.31	2.04	-64.42
CC(CN(C)C(=O)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004612010	0	34	-1.0	-47.24	286.68	1.88	-45.36
CC(CN(C)C(=O)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004612010	1	34	-1.0	-47.22	286.62	1.86	-45.36
CC(CN(C)C(=O)CC1OCCCO1)C1=N[N-]N=N1	REAL250004612011	0	37	-1.0	-44.42	295.51	2.45	-41.97
CC(CN(C)C(=O)CC1OCCCO1)C1=NN=N[N-]1	REAL250004612011	1	37	-1.0	-44.45	295.56	2.47	-41.98
CC(CN(C)C(=O)CC1OCCO1)C1=N[N-]N=N1	REAL250004612012	0	34	-1.0	-45.03	277.31	1.53	-43.50
CC(CN(C)C(=O)CC1OCCO1)C1=NN=N[N-]1	REAL250004612012	1	34	-1.0	-45.06	277.36	1.55	-43.51
CCCCCC(C)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612013	0	49	-1.0	-47.75	354.98	6.14	-41.61
CCCCCC(C)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612013	1	49	-1.0	-47.76	355.03	6.15	-41.61
CCN1C=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612014	0	38	-1.0	-51.90	314.83	3.78	-48.12
CCN1C=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612014	1	38	-1.0	-51.90	314.78	3.77	-48.13
C=CC(C)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612015	0	38	-1.0	-47.28	284.53	3.69	-43.59
C=CC(C)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612015	1	38	-1.0	-47.31	284.59	3.70	-43.61
CC(C)N1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612016	0	38	-1.0	-47.49	306.86	3.19	-44.30
CC(C)N1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612016	1	38	-1.0	-47.49	306.80	3.17	-44.32
CC(CN(C)C(=O)C1CCCC(C(N)=O)C1)C1=N[N-]N=N1	REAL250004612017	0	42	-1.0	-46.92	315.64	0.88	-46.04
CC(CN(C)C(=O)C1CCCC(C(N)=O)C1)C1=NN=N[N-]1	REAL250004612017	1	42	-1.0	-46.94	315.70	0.90	-46.04
CCC1=CC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612018	0	41	-1.0	-47.65	326.08	6.25	-41.40
CCC1=CC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612018	1	41	-1.0	-47.69	326.14	6.27	-41.42
CC(=O)[C@@H]1C[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1(C)C	REAL250004612019	0	43	-1.0	-52.23	326.66	4.96	-47.27
CC(=O)[C@@H]1C[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1(C)C	REAL250004612019	1	43	-1.0	-52.27	326.72	4.98	-47.29
COC1=CC(C)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612020	0	39	-1.0	-51.39	315.27	4.38	-47.01
COC1=CC(C)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612020	1	39	-1.0	-51.35	315.33	4.40	-46.95
CC(CN(C)C(=O)C=CC1=CC=CN1)C1=N[N-]N=N1	REAL250004612021	0	34	-1.0	-49.33	284.58	3.52	-45.81
CC(CN(C)C(=O)C=CC1=CC=CN1)C1=NN=N[N-]1	REAL250004612021	1	34	-1.0	-49.36	284.64	3.53	-45.83
CC(CN(C)C(=O)C1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL250004612022	0	31	-1.0	-51.64	271.36	2.31	-49.33
CC(CN(C)C(=O)C1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL250004612022	1	31	-1.0	-51.63	271.30	2.29	-49.34
CC(CN(C)C(=O)CCC1=CNC=N1)C1=N[N-]N=N1	REAL250004612023	0	35	-1.0	-49.70	291.09	3.45	-46.25
CC(CN(C)C(=O)CCC1=CNC=N1)C1=NN=N[N-]1	REAL250004612023	1	35	-1.0	-49.70	291.15	3.46	-46.24
CC(CN(C)C(=O)CCC1=CN=CN1)C1=N[N-]N=N1	REAL250004612023	1	35	-1.0	-48.53	291.20	3.44	-45.09
CC(CN(C)C(=O)C=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004612024	0	33	-1.0	-51.02	281.31	3.36	-47.66
CC(CN(C)C(=O)C=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004612024	1	33	-1.0	-51.00	281.37	3.37	-47.63
CC(=O)CC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612025	0	42	-1.0	-54.21	319.01	4.61	-49.60
CC(=O)CC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612025	1	42	-1.0	-54.21	319.07	4.63	-49.58
CC(=O)N1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612026	0	36	-1.0	-53.16	296.62	1.89	-51.27
CC(=O)N1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612026	1	36	-1.0	-53.14	296.68	1.91	-51.23
CC(CN(C)C(=O)C1=CC=C(C#N)C(O)=C1)C1=N[N-]N=N1	REAL250004612027	0	34	-1.0	-46.72	295.11	1.63	-45.09
CC(CN(C)C(=O)C1=CC=C(C#N)C(O)=C1)C1=NN=N[N-]1	REAL250004612027	1	34	-1.0	-46.76	295.17	1.65	-45.11
CC(CN(C)C(=O)C(=O)NCC1CC1)C1=N[N-]N=N1	REAL250004612028	0	36	-1.0	-40.04	298.89	1.40	-38.64
CC(CN(C)C(=O)C(=O)NCC1CC1)C1=NN=N[N-]1	REAL250004612028	1	36	-1.0	-40.11	298.95	1.41	-38.70
COCCN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612029	0	39	-1.0	-43.73	315.41	1.76	-41.97
COCCN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612029	1	39	-1.0	-43.73	315.35	1.74	-41.99
C=CC(C)(CCOC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612030	0	42	-1.0	-49.77	316.95	3.14	-46.63
C=CC(C)(CCOC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612030	1	42	-1.0	-49.79	317.01	3.15	-46.64
CC[C@H]1CC[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612031	0	44	-1.0	-46.36	327.32	5.71	-40.65
CC[C@H]1CC[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612031	1	44	-1.0	-46.34	327.38	5.72	-40.62
CC(C)C1(C)CC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612032	0	41	-1.0	-42.35	312.56	5.27	-37.08
CC(C)C1(C)CC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612032	1	41	-1.0	-42.40	312.62	5.29	-37.11
COCCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612033	0	39	-1.0	-45.19	323.81	2.41	-42.78
COCCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612033	1	39	-1.0	-45.19	323.75	2.39	-42.80
CC(CN(C)C(=O)CC1=CN=CS1)C1=NN=N[N-]1	REAL250004612034	0	31	-1.0	-49.18	275.23	2.39	-46.79
CC(CN(C)C(=O)CC1=CN=CS1)C1=N[N-]N=N1	REAL250004612034	1	31	-1.0	-49.16	275.18	2.37	-46.79
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004612035	0	36	-1.0	-48.52	292.63	0.86	-47.66
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004612035	1	36	-1.0	-48.54	292.57	0.85	-47.69
CNC(=O)CCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612036	0	41	-1.0	-50.20	333.01	2.00	-48.20
CNC(=O)CCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612036	1	41	-1.0	-50.21	333.07	2.02	-48.19
CC(C)C(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612037	0	40	-1.0	-46.36	286.14	3.80	-42.56
CC(C)C(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612037	1	40	-1.0	-46.35	286.19	3.81	-42.54
CC(CN(C)C(=O)C(O)C1CCCCC1)C1=N[N-]N=N1	REAL250004612038	0	42	-1.0	-45.89	316.48	3.23	-42.66
CC(CN(C)C(=O)C(O)C1CCCCC1)C1=NN=N[N-]1	REAL250004612038	1	42	-1.0	-45.91	316.54	3.25	-42.66
CC1=NNN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612039	0	31	-1.0	-40.33	259.29	0.34	-39.99
CC1=NNN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612039	1	31	-1.0	-40.33	259.35	0.35	-39.98
CC(CN(C)C(=O)C1=C2C=NC=CN2N=C1)C1=NN=N[N-]1	REAL250004612040	0	34	-1.0	-50.27	283.71	1.97	-48.30
CC(CN(C)C(=O)C1=C2C=NC=CN2N=C1)C1=N[N-]N=N1	REAL250004612040	1	34	-1.0	-50.25	283.66	1.96	-48.29
CC(CN(C)C(=O)C1COC(C)C1)C1=N[N-]N=N1	REAL250004612041	0	36	-1.0	-44.47	281.64	2.08	-42.39
CC(CN(C)C(=O)C1COC(C)C1)C1=NN=N[N-]1	REAL250004612041	1	36	-1.0	-44.44	281.70	2.09	-42.35
CC(CN(C)C(=O)CC1=CC2=NNC=C2C=C1)C1=N[N-]N=N1	REAL250004612042	0	38	-1.0	-55.69	316.68	3.83	-51.86
CC(CN(C)C(=O)CC1=CC2=NNC=C2C=C1)C1=NN=N[N-]1	REAL250004612042	1	38	-1.0	-55.62	316.74	3.84	-51.78
CC(CN(C)C(=O)CCC1=CN=CN1C)C1=N[N-]N=N1	REAL250004612043	0	38	-1.0	-48.93	311.60	5.02	-43.91
CC(CN(C)C(=O)CCC1=CN=CN1C)C1=NN=N[N-]1	REAL250004612043	1	38	-1.0	-48.92	311.65	5.04	-43.88
CC(CN(C)C(=O)C1NC(=O)OC1C)C1=N[N-]N=N1	REAL250004612044	0	34	-1.0	-49.87	277.51	-0.90	-50.77
CC(CN(C)C(=O)C1NC(=O)OC1C)C1=NN=N[N-]1	REAL250004612044	1	34	-1.0	-49.89	277.56	-0.89	-50.78
CCN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612045	0	35	-1.0	-41.98	281.52	2.73	-39.25
CCN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612045	1	35	-1.0	-41.97	281.46	2.71	-39.26
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004612046	0	34	-1.0	-40.50	291.06	3.56	-36.94
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004612046	1	34	-1.0	-40.53	291.00	3.55	-36.98
CC(CN(C)C(=O)C1=CCCCCC1)C1=N[N-]N=N1	REAL250004612047	0	39	-1.0	-47.65	293.59	4.77	-42.88
CC(CN(C)C(=O)C1=CCCCCC1)C1=NN=N[N-]1	REAL250004612047	1	39	-1.0	-47.64	293.64	4.79	-42.85
CC(CN(C)C(=O)C1=C(O)C=CC=C1F)C1=N[N-]N=N1	REAL250004612048	0	33	-1.0	-49.02	286.51	1.49	-47.53
CC(CN(C)C(=O)C1=C(O)C=CC=C1F)C1=NN=N[N-]1	REAL250004612048	1	33	-1.0	-49.02	286.56	1.51	-47.51
CC1=CN=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612049	0	37	-1.0	-50.48	306.71	3.96	-46.52
CC1=CN=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612049	1	37	-1.0	-50.46	306.77	3.98	-46.48
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C)C=C1	REAL250004612050	0	36	-1.0	-47.49	298.42	4.32	-43.17
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C)C=C1	REAL250004612050	1	36	-1.0	-47.50	298.48	4.33	-43.17
CC(C)C(C)(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612051	0	38	-1.0	-43.87	285.32	1.13	-42.74
CC(C)C(C)(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612051	1	38	-1.0	-43.80	285.38	1.13	-42.67
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004612052	0	38	-1.0	-49.71	295.59	3.32	-46.39
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004612052	1	38	-1.0	-49.74	295.65	3.33	-46.41
CC(CN(C)C(=O)C1=C2C=CC=CC2=NN1C)C1=NN=N[N-]1	REAL250004612053	0	38	-1.0	-45.77	318.78	4.21	-41.56
CC(CN(C)C(=O)C1=C2C=CC=CC2=NN1C)C1=N[N-]N=N1	REAL250004612053	1	38	-1.0	-45.78	318.72	4.19	-41.59
CC(CN(C)C(=O)C1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004612054	0	36	-1.0	-45.33	290.30	1.91	-43.42
CC(CN(C)C(=O)C1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004612054	1	36	-1.0	-45.33	290.36	1.93	-43.40
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004612055	0	42	-1.0	-40.67	305.77	3.55	-37.12
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004612055	1	42	-1.0	-40.68	305.83	3.57	-37.11
CC(CN(C)C(=O)C1CCCC1(C)C)C1=N[N-]N=N1	REAL250004612056	0	41	-1.0	-43.57	296.49	4.79	-38.78
CC(CN(C)C(=O)C1CCCC1(C)C)C1=NN=N[N-]1	REAL250004612056	1	41	-1.0	-43.61	296.54	4.81	-38.80
CCOC1CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612057	0	42	-1.0	-51.25	333.54	4.12	-47.13
CCOC1CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612057	1	42	-1.0	-51.24	333.60	4.13	-47.11
CC(CN(C)C(=O)C1=CC=CC(O)=C1O)C1=N[N-]N=N1	REAL250004612058	0	34	-1.0	-50.89	285.11	-0.11	-51.00
CC(CN(C)C(=O)C1=CC=CC(O)=C1O)C1=NN=N[N-]1	REAL250004612058	1	34	-1.0	-50.87	285.17	-0.09	-50.96
CC(CN(C)C(=O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL250004612059	0	37	-1.0	-41.99	285.52	-0.82	-42.81
CC(CN(C)C(=O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL250004612059	1	37	-1.0	-41.96	285.58	-0.81	-42.77
CC(CN(C)C(=O)CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004612060	0	35	-1.0	-53.53	290.21	4.19	-49.34
CC(CN(C)C(=O)CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004612060	1	35	-1.0	-53.56	290.26	4.20	-49.36
CC(CN(C)C(=O)C1(C)CNC(=O)C1)C1=N[N-]N=N1	REAL250004612061	0	36	-1.0	-56.24	280.40	-0.23	-56.47
CC(CN(C)C(=O)C1(C)CNC(=O)C1)C1=NN=N[N-]1	REAL250004612061	1	36	-1.0	-56.25	280.46	-0.21	-56.46
C=CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004612062	0	42	-1.0	-46.79	336.09	6.68	-40.11
C=CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004612062	1	42	-1.0	-46.80	336.14	6.70	-40.10
CC(CN(C)C(=O)CCC(C)(C)O)C1=N[N-]N=N1	REAL250004612063	0	38	-1.0	-45.67	300.30	0.92	-44.75
CC(CN(C)C(=O)CCC(C)(C)O)C1=NN=N[N-]1	REAL250004612063	1	38	-1.0	-45.66	300.36	0.93	-44.73
CC(CN(C)C(=O)CCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004612064	0	38	-1.0	-47.21	312.09	3.46	-43.75
CC(CN(C)C(=O)CCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004612064	1	38	-1.0	-47.20	312.14	3.47	-43.73
CC(CN(C)C(=O)C1(F)CCCC1)C1=N[N-]N=N1	REAL250004612065	0	35	-1.0	-40.55	274.08	3.80	-36.75
CC(CN(C)C(=O)C1(F)CCCC1)C1=NN=N[N-]1	REAL250004612065	1	35	-1.0	-40.58	274.14	3.82	-36.76
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004612066	0	34	-1.0	-43.29	297.37	3.34	-39.95
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004612066	1	34	-1.0	-43.32	297.43	3.36	-39.96
CC(CN(C)C(=O)C1=CC(O)=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004612067	0	34	-1.0	-47.69	294.28	1.59	-46.10
CC(CN(C)C(=O)C1=CC(O)=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004612067	1	34	-1.0	-47.65	294.33	1.60	-46.05
CC1=CN=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612068	0	37	-1.0	-49.49	302.49	3.81	-45.68
CC1=CN=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612068	1	37	-1.0	-49.50	302.54	3.83	-45.67
CC(CN(C)C(=O)CC1=CC=CC=C1CO)C1=N[N-]N=N1	REAL250004612069	0	39	-1.0	-50.39	317.47	2.46	-47.93
CC(CN(C)C(=O)CC1=CC=CC=C1CO)C1=NN=N[N-]1	REAL250004612069	1	39	-1.0	-50.42	317.52	2.47	-47.95
CC(CN(C)C(=O)CC1C=CCCC1)C1=N[N-]N=N1	REAL250004612070	0	39	-1.0	-43.95	302.33	5.28	-38.67
CC(CN(C)C(=O)CC1C=CCCC1)C1=NN=N[N-]1	REAL250004612070	1	39	-1.0	-43.94	302.39	5.29	-38.65
CC(CN(C)C(=O)C1=CC=CC(F)=C1C#N)C1=N[N-]N=N1	REAL250004612071	0	33	-1.0	-58.84	289.03	4.36	-54.48
CC(CN(C)C(=O)C1=CC=CC(F)=C1C#N)C1=NN=N[N-]1	REAL250004612071	1	33	-1.0	-58.84	289.09	4.38	-54.46
CC(CN(C)C(=O)CC1CCCC1C)C1=N[N-]N=N1	REAL250004612072	0	41	-1.0	-43.07	307.77	5.17	-37.90
CC(CN(C)C(=O)CC1CCCC1C)C1=NN=N[N-]1	REAL250004612072	1	41	-1.0	-43.08	307.82	5.19	-37.89
CC(CN(C)C(=O)C1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004612073	0	36	-1.0	-50.73	293.15	2.40	-48.33
CC(CN(C)C(=O)C1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004612073	1	36	-1.0	-50.76	293.21	2.41	-48.35
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004612074	0	31	-1.0	-45.15	264.29	0.69	-44.46
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004612074	1	31	-1.0	-45.13	264.35	0.70	-44.43
CC(CN(C)C(=O)C1=CC=NC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004612076	0	36	-1.0	-50.13	298.11	2.65	-47.48
CC(CN(C)C(=O)C1=CC=NC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004612076	1	36	-1.0	-50.12	298.05	2.63	-47.49
CC(CN(C)C(=O)C1=C(F)C=CC(F)=C1F)C1=N[N-]N=N1	REAL250004612077	0	32	-1.0	-49.87	288.62	4.39	-45.48
CC(CN(C)C(=O)C1=C(F)C=CC(F)=C1F)C1=NN=N[N-]1	REAL250004612077	1	32	-1.0	-49.87	288.68	4.41	-45.46
CC(CN(C)C(=O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612078	0	38	-1.0	-44.17	301.26	5.36	-38.81
CC(CN(C)C(=O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612078	1	38	-1.0	-44.20	301.32	5.38	-38.82
CC(CN(C)C(=O)[C@H](C)NC(N)=O)C1=N[N-]N=N1	REAL250004612079	0	34	-1.0	-45.79	278.25	-2.41	-48.20
CC(CN(C)C(=O)[C@H](C)NC(N)=O)C1=NN=N[N-]1	REAL250004612079	1	34	-1.0	-45.83	278.30	-2.40	-48.23
CCOC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612080	0	37	-1.0	-40.78	308.63	0.87	-39.91
CCOC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612080	1	37	-1.0	-40.77	308.58	0.85	-39.92
CC(=O)OC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612081	0	37	-1.0	-47.68	288.24	3.68	-44.00
CC(=O)OC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612081	1	37	-1.0	-47.67	288.30	3.70	-43.97
CC(CN(C)C(=O)C1=NC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004612082	0	31	-1.0	-46.78	280.28	3.91	-42.87
CC(CN(C)C(=O)C1=NC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004612082	1	31	-1.0	-46.72	280.22	3.89	-42.83
CC(CN(C)C(=O)C1=CSC(Cl)=N1)C1=NN=N[N-]1	REAL250004612083	0	28	-1.0	-40.93	267.03	2.52	-38.41
CC(CN(C)C(=O)C1=CSC(Cl)=N1)C1=N[N-]N=N1	REAL250004612083	1	28	-1.0	-40.94	266.98	2.50	-38.44
CC(CN(C)C(=O)C1=COC(CC2CC2)=N1)C1=N[N-]N=N1	REAL250004612084	0	38	-1.0	-41.64	316.83	2.97	-38.67
CC(CN(C)C(=O)C1=COC(CC2CC2)=N1)C1=NN=N[N-]1	REAL250004612084	1	38	-1.0	-41.65	316.89	2.98	-38.67
CC(CN(C)C(=O)C(C)(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004612085	0	40	-1.0	-54.82	307.62	4.50	-50.32
CC(CN(C)C(=O)C(C)(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004612085	1	40	-1.0	-54.84	307.56	4.48	-50.36
CC(CN(C)C(=O)CC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004612086	0	32	-1.0	-47.97	292.80	4.68	-43.29
CC(CN(C)C(=O)CC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004612086	1	32	-1.0	-47.98	292.86	4.69	-43.29
CC1=CC(C)=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612087	0	37	-1.0	-43.68	302.43	4.58	-39.10
CC1=CC(C)=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612087	1	37	-1.0	-43.69	302.49	4.59	-39.10
CC(CN(C)C(=O)C1CCC(F)C1)C1=N[N-]N=N1	REAL250004612088	0	35	-1.0	-42.99	276.16	3.92	-39.07
CC(CN(C)C(=O)C1CCC(F)C1)C1=NN=N[N-]1	REAL250004612088	1	35	-1.0	-42.97	276.22	3.94	-39.03
COC1=COC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL250004612089	0	35	-1.0	-48.45	295.25	2.49	-45.96
COC1=COC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL250004612089	1	35	-1.0	-48.45	295.30	2.51	-45.94
CC(CN(C)C(=O)C1=CC2=CC=NC=C2N=C1)C1=NN=N[N-]1	REAL250004612090	0	36	-1.0	-44.50	300.18	2.65	-41.85
CC(CN(C)C(=O)C1=CC2=CC=NC=C2N=C1)C1=N[N-]N=N1	REAL250004612090	1	36	-1.0	-44.52	300.13	2.63	-41.89
CC1=CN2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC2=C1	REAL250004612091	0	39	-1.0	-46.54	316.41	6.34	-40.20
CC1=CN2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC2=C1	REAL250004612091	1	39	-1.0	-46.58	316.46	6.36	-40.22
CC(O)C1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612092	0	35	-1.0	-50.18	303.67	-0.72	-50.90
CC(O)C1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612092	1	35	-1.0	-50.15	303.72	-0.70	-50.85
CC(CN(C)C(=O)C(O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004612093	0	36	-1.0	-52.14	297.71	0.49	-51.65
CC(CN(C)C(=O)C(O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004612093	1	36	-1.0	-52.09	297.66	0.47	-51.62
CC(CN(C)C(=O)C1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004612094	0	35	-1.0	-41.76	294.70	3.85	-37.91
CC(CN(C)C(=O)C1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004612094	1	35	-1.0	-41.77	294.76	3.87	-37.90
CC(CN(C)C(=O)[C@H]1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004612095	0	36	-1.0	-49.40	286.22	0.79	-48.61
CC(CN(C)C(=O)[C@H]1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004612095	1	36	-1.0	-49.38	286.28	0.80	-48.58
CC1=C(C#N)C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612096	0	36	-1.0	-46.12	297.75	4.79	-41.33
CC1=C(C#N)C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612096	1	36	-1.0	-46.11	297.81	4.80	-41.31
CC1=NC2=CC=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2N1	REAL250004612097	0	38	-1.0	-45.43	313.95	3.61	-41.82
CC1=NC2=CC=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2N1	REAL250004612097	1	38	-1.0	-45.47	314.01	3.62	-41.85
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C#N	REAL250004612098	0	36	-1.0	-50.74	303.89	4.94	-45.80
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C#N	REAL250004612098	1	36	-1.0	-50.73	303.95	4.95	-45.78
CCOCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612099	0	39	-1.0	-46.83	312.64	3.25	-43.58
CCOCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612099	1	39	-1.0	-46.85	312.69	3.26	-43.59
CC(CN(C)C(=O)C1OC(C)CC1C)C1=N[N-]N=N1	REAL250004612100	0	39	-1.0	-45.13	299.69	3.61	-41.52
CC(CN(C)C(=O)C1OC(C)CC1C)C1=NN=N[N-]1	REAL250004612100	1	39	-1.0	-45.15	299.75	3.62	-41.53
CC(CN(C)C(=O)COC1=CSC=C1)C1=N[N-]N=N1	REAL250004612101	0	33	-1.0	-50.19	290.17	4.01	-46.18
CC(CN(C)C(=O)COC1=CSC=C1)C1=NN=N[N-]1	REAL250004612101	1	33	-1.0	-50.20	290.22	4.02	-46.18
CCC1CCCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612102	0	44	-1.0	-42.40	320.77	5.57	-36.83
CCC1CCCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612102	1	44	-1.0	-42.39	320.83	5.59	-36.80
CC(C)N1N=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004612103	0	40	-1.0	-46.52	320.40	2.35	-44.17
CC(C)N1N=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004612103	1	40	-1.0	-46.49	320.35	2.34	-44.15
CC(CN(C)C(=O)C1(O)CCC(C)CC1)C1=N[N-]N=N1	REAL250004612104	0	42	-1.0	-40.75	309.80	1.85	-38.90
CC(CN(C)C(=O)C1(O)CCC(C)CC1)C1=NN=N[N-]1	REAL250004612104	1	42	-1.0	-40.76	309.85	1.87	-38.89
CC(CN(C)C(=O)[C@@H](O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612105	0	39	-1.0	-47.26	316.64	3.57	-43.69
CC(CN(C)C(=O)[C@@H](O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612105	1	39	-1.0	-47.27	316.70	3.59	-43.68
CC(CN(C)C(=O)C1=CON=C1C1CC1)C1=N[N-]N=N1	REAL250004612106	0	35	-1.0	-48.55	290.35	3.80	-44.75
CC(CN(C)C(=O)C1=CON=C1C1CC1)C1=NN=N[N-]1	REAL250004612106	1	35	-1.0	-48.59	290.41	3.82	-44.77
CNC1=NC(C)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612107	0	38	-1.0	-42.02	313.93	4.21	-37.81
CNC1=NC(C)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612107	1	38	-1.0	-42.01	313.99	4.22	-37.79
CCCC(C)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612108	0	43	-1.0	-47.83	311.98	4.58	-43.25
CCCC(C)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612108	1	43	-1.0	-47.78	312.04	4.59	-43.19
CC(CN(C)C(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004612109	0	31	-1.0	-40.78	265.79	3.42	-37.36
CC(CN(C)C(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004612109	1	31	-1.0	-40.78	265.73	3.41	-37.37
CSCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612110	0	38	-1.0	-44.97	299.91	3.89	-41.08
CSCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612110	1	38	-1.0	-44.92	299.97	3.91	-41.01
CC(CN(C)C(=O)C=CC1=CN=CS1)C1=N[N-]N=N1	REAL250004612111	0	32	-1.0	-47.56	284.80	2.88	-44.68
CC(CN(C)C(=O)C=CC1=CN=CS1)C1=NN=N[N-]1	REAL250004612111	1	32	-1.0	-47.57	284.85	2.90	-44.67
CC(CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004612112	0	32	-1.0	-42.49	272.24	3.75	-38.74
CC(CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004612112	1	32	-1.0	-42.54	272.30	3.76	-38.78
CC(CN(C)C(=O)CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004612113	0	32	-1.0	-47.40	297.70	4.84	-42.56
CC(CN(C)C(=O)CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004612113	1	32	-1.0	-47.41	297.76	4.86	-42.55
CCC(C)CCC(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612114	0	47	-1.0	-50.72	361.37	3.97	-46.75
CCC(C)CCC(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612114	1	47	-1.0	-50.69	361.43	3.99	-46.70
CCCCC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612115	0	40	-1.0	-46.65	308.44	4.78	-41.87
CCCCC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612115	1	40	-1.0	-46.65	308.49	4.79	-41.86
CC(CN(C)C(=O)C1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL250004612116	0	38	-1.0	-43.52	297.56	4.51	-39.01
CC(CN(C)C(=O)C1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL250004612116	1	38	-1.0	-43.52	297.62	4.52	-39.00
CC(CC(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612117	0	35	-1.0	-45.45	280.47	-0.65	-46.10
CC(CC(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612117	1	35	-1.0	-45.45	280.53	-0.65	-46.10
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C=O)N1	REAL250004612118	0	35	-1.0	-47.23	292.72	2.12	-45.11
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C=O)N1	REAL250004612118	1	35	-1.0	-47.21	292.78	2.13	-45.08
CC(CN(C)C(=O)C1=CN=NN1C)C1=NN=N[N-]1	REAL250004612119	0	31	-1.0	-44.13	256.31	0.42	-43.71
CC(CN(C)C(=O)C1=CN=NN1C)C1=N[N-]N=N1	REAL250004612119	1	31	-1.0	-44.13	256.26	0.40	-43.73
CC1=C(Cl)C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612120	0	35	-1.0	-42.92	295.71	5.09	-37.83
CC1=C(Cl)C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612120	1	35	-1.0	-42.93	295.77	5.11	-37.82
CC(CN(C)C(=O)C1CCCOCC1)C1=N[N-]N=N1	REAL250004612122	0	39	-1.0	-45.52	290.29	2.64	-42.88
CC(CN(C)C(=O)C1CCCOCC1)C1=NN=N[N-]1	REAL250004612122	1	39	-1.0	-45.52	290.35	2.66	-42.86
COC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612123	0	38	-1.0	-48.80	292.77	3.26	-45.54
COC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612123	1	38	-1.0	-48.81	292.82	3.28	-45.53
CC(CN(C)C(=O)C1=CC=C(F)C(C#N)=C1)C1=N[N-]N=N1	REAL250004612124	0	33	-1.0	-49.50	290.65	4.48	-45.02
CC(CN(C)C(=O)C1=CC=C(F)C(C#N)=C1)C1=NN=N[N-]1	REAL250004612124	1	33	-1.0	-49.51	290.71	4.50	-45.01
CNC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612125	0	36	-1.0	-45.50	293.60	1.92	-43.58
CNC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612125	1	36	-1.0	-45.48	293.54	1.91	-43.57
CC1=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)NC=N1	REAL250004612127	0	35	-1.0	-52.64	290.80	3.17	-49.47
CC1=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)NC=N1	REAL250004612127	1	35	-1.0	-52.59	290.86	3.19	-49.40
CC(CN(C)C(=O)C1=NC=CS1)C1=NN=N[N-]1	REAL250004612128	0	28	-1.0	-41.46	251.05	2.15	-39.31
CC(CN(C)C(=O)C1=NC=CS1)C1=N[N-]N=N1	REAL250004612128	1	28	-1.0	-41.43	251.00	2.13	-39.30
CC1=C(C)SC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612129	0	34	-1.0	-46.95	288.06	2.33	-44.62
CC1=C(C)SC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612129	1	34	-1.0	-46.99	288.12	2.35	-44.64
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C#N)O1	REAL250004612130	0	33	-1.0	-43.49	287.74	3.45	-40.04
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C#N)O1	REAL250004612130	1	33	-1.0	-43.46	287.80	3.47	-39.99
CC(CN(C)C(=O)CC1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004612131	0	38	-1.0	-47.42	306.79	4.95	-42.47
CC(CN(C)C(=O)CC1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004612131	1	38	-1.0	-47.46	306.85	4.97	-42.49
CC(CN(C)C(=O)CCCC1CCOCC1)C1=N[N-]N=N1	REAL250004612132	0	45	-1.0	-47.61	345.24	4.48	-43.13
CC(CN(C)C(=O)CCCC1CCOCC1)C1=NN=N[N-]1	REAL250004612132	1	45	-1.0	-47.63	345.30	4.49	-43.14
CC(CN(C)C(=O)C1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004612133	0	42	-1.0	-48.08	329.64	6.63	-41.45
CC(CN(C)C(=O)C1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004612133	1	42	-1.0	-48.08	329.69	6.64	-41.44
CC(CN(C)C(=O)CC(C)(C)C#N)C1=N[N-]N=N1	REAL250004612134	0	35	-1.0	-43.31	282.89	3.64	-39.67
CC(CN(C)C(=O)CC(C)(C)C#N)C1=NN=N[N-]1	REAL250004612134	1	35	-1.0	-43.29	282.95	3.65	-39.64
COC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004612135	0	38	-1.0	-53.88	313.57	2.74	-51.14
COC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004612135	1	38	-1.0	-53.88	313.63	2.76	-51.12
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004612136	0	39	-1.0	-56.10	321.04	2.67	-53.43
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004612136	1	39	-1.0	-56.07	320.98	2.66	-53.41
CCC(C)(OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612137	0	38	-1.0	-51.13	283.75	2.78	-48.35
CCC(C)(OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612137	1	38	-1.0	-51.11	283.80	2.81	-48.30
CC(CN(C)C(=O)C1=CC=NN1CC(F)F)C1=NN=N[N-]1	REAL250004612138	0	35	-1.0	-42.00	294.79	2.99	-39.01
CC(CN(C)C(=O)C1=CC=NN1CC(F)F)C1=N[N-]N=N1	REAL250004612138	1	35	-1.0	-41.99	294.73	2.97	-39.02
CC(CN(C)C(=O)C1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004612139	0	35	-1.0	-47.06	285.67	4.11	-42.95
CC(CN(C)C(=O)C1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004612139	1	35	-1.0	-47.09	285.73	4.12	-42.97
CC(CN(C)C(=O)C1CCC(C)(C)O1)C1=N[N-]N=N1	REAL250004612140	0	39	-1.0	-47.25	304.70	3.90	-43.35
CC(CN(C)C(=O)C1CCC(C)(C)O1)C1=NN=N[N-]1	REAL250004612140	1	39	-1.0	-47.21	304.75	3.91	-43.30
CC1=CSC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612141	0	37	-1.0	-47.28	318.54	3.61	-43.67
CC1=CSC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612141	1	37	-1.0	-47.26	318.59	3.62	-43.64
CCN1C=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612142	0	35	-1.0	-45.26	285.56	4.34	-40.92
CCN1C=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612142	1	35	-1.0	-45.22	285.50	4.33	-40.89
CC(CN(C)C(=O)C1=COC(C2CCC2)=N1)C1=N[N-]N=N1	REAL250004612143	0	38	-1.0	-41.45	312.04	2.78	-38.67
CC(CN(C)C(=O)C1=COC(C2CCC2)=N1)C1=NN=N[N-]1	REAL250004612143	1	38	-1.0	-41.45	312.10	2.79	-38.66
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CO1	REAL250004612144	0	35	-1.0	-43.16	287.24	3.70	-39.46
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CO1	REAL250004612144	1	35	-1.0	-43.18	287.30	3.72	-39.46
CC(CN(C)C(=O)C1C(C)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612145	0	42	-1.0	-44.12	324.47	6.76	-37.36
CC(CN(C)C(=O)C1C(C)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612145	1	42	-1.0	-44.07	324.52	6.78	-37.29
C#CC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612146	0	33	-1.0	-43.58	285.06	3.35	-40.23
C#CC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612146	1	33	-1.0	-43.58	285.11	3.36	-40.22
CC(CN(C)C(=O)CC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004612147	0	37	-1.0	-42.07	298.55	4.26	-37.81
CC(CN(C)C(=O)CC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004612147	1	37	-1.0	-42.03	298.61	4.27	-37.76
CC(CN(C)C(=O)C1=CC=CN=C1F)C1=NN=N[N-]1	REAL250004612148	0	31	-1.0	-49.69	266.18	2.26	-47.43
CC(CN(C)C(=O)C1=CC=CN=C1F)C1=N[N-]N=N1	REAL250004612148	1	31	-1.0	-49.68	266.12	2.25	-47.43
CC(CN(C)C(=O)C1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004612149	0	32	-1.0	-43.90	268.79	-0.70	-44.60
CC(CN(C)C(=O)C1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004612149	1	32	-1.0	-43.89	268.84	-0.69	-44.58
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=N1	REAL250004612150	0	34	-1.0	-46.33	280.49	2.91	-43.42
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=N1	REAL250004612150	1	34	-1.0	-46.29	280.54	2.92	-43.37
CC(CN(C)C(=O)CCC1=NC=CN1)C1=N[N-]N=N1	REAL250004612151	0	35	-1.0	-47.53	291.21	2.60	-44.93
CC(CN(C)C(=O)CCC1=NC=CN1)C1=NN=N[N-]1	REAL250004612151	1	35	-1.0	-47.57	291.27	2.61	-44.96
CC(CN(C)C(=O)C(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004612152	0	37	-1.0	-49.38	298.23	3.52	-45.86
CC(CN(C)C(=O)C(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004612152	1	37	-1.0	-49.33	298.28	3.54	-45.79
CC(CN(C)C(=O)C1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL250004612153	0	35	-1.0	-48.07	302.04	3.67	-44.40
CC(CN(C)C(=O)C1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL250004612153	1	35	-1.0	-48.07	301.98	3.66	-44.41
CC(CN(C)C(=O)C1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004612154	0	35	-1.0	-55.40	297.16	2.47	-52.93
CC(CN(C)C(=O)C1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004612154	1	35	-1.0	-55.39	297.22	2.48	-52.91
CC(CN(C)C(=O)C1CCC(O)CC1)C1=N[N-]N=N1	REAL250004612155	0	39	-1.0	-47.41	297.73	1.05	-46.36
CC(CN(C)C(=O)C1CCC(O)CC1)C1=NN=N[N-]1	REAL250004612155	1	39	-1.0	-47.40	297.79	1.06	-46.34
CC(CN(C)C(=O)C1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL250004612156	0	36	-1.0	-50.70	296.74	1.37	-49.33
CC(CN(C)C(=O)C1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL250004612156	1	36	-1.0	-50.69	296.79	1.39	-49.30
CC(CN(C)C(=O)C(C)(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004612157	0	45	-1.0	-46.94	319.89	3.30	-43.64
CC(CN(C)C(=O)C(C)(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004612157	1	45	-1.0	-46.95	319.94	3.31	-43.64
CC(CN(C)C(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004612158	0	28	-1.0	-47.28	248.48	1.11	-46.17
CC(CN(C)C(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004612158	1	28	-1.0	-47.29	248.43	1.09	-46.20
CCC1=CSC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612159	0	37	-1.0	-46.45	317.92	3.60	-42.85
CCC1=CSC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612159	1	37	-1.0	-46.43	317.97	3.62	-42.81
CC(CN(C)C(=O)CC1CCCOC1)C1=N[N-]N=N1	REAL250004612160	0	39	-1.0	-49.76	301.34	3.00	-46.76
CC(CN(C)C(=O)CC1CCCOC1)C1=NN=N[N-]1	REAL250004612160	1	39	-1.0	-49.78	301.40	3.02	-46.76
CC(CN(C)C(=O)CCC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004612161	0	36	-1.0	-47.52	300.81	2.27	-45.25
CC(CN(C)C(=O)CCC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004612161	1	36	-1.0	-47.49	300.87	2.29	-45.20
CC(CN(C)C(=O)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004612162	0	35	-1.0	-48.24	296.55	2.63	-45.61
CC(CN(C)C(=O)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004612162	1	35	-1.0	-48.25	296.50	2.62	-45.63
CC(CN(C)C(=O)C1=NC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL250004612163	0	35	-1.0	-48.78	297.16	2.98	-45.80
CC(CN(C)C(=O)C1=NC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL250004612163	1	35	-1.0	-48.78	297.10	2.97	-45.81
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1CO	REAL250004612164	0	39	-1.0	-49.66	311.84	2.17	-47.49
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1CO	REAL250004612164	1	39	-1.0	-49.67	311.90	2.19	-47.48
CC(CN(C)C(=O)C1=C2C(=CC=C1)N=CN2C)C1=NN=N[N-]1	REAL250004612165	0	38	-1.0	-44.80	310.18	5.40	-39.40
CC(CN(C)C(=O)C1=C2C(=CC=C1)N=CN2C)C1=N[N-]N=N1	REAL250004612165	1	38	-1.0	-44.78	310.12	5.38	-39.40
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004612166	0	34	-1.0	-40.44	298.96	2.78	-37.66
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004612166	1	34	-1.0	-40.40	298.91	2.76	-37.64
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1C	REAL250004612167	0	36	-1.0	-49.89	288.95	4.21	-45.68
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1C	REAL250004612167	1	36	-1.0	-49.92	289.00	4.22	-45.70
CC(C)N1C=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612168	0	38	-1.0	-45.36	309.06	5.58	-39.78
CC(C)N1C=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612168	1	38	-1.0	-45.32	309.01	5.56	-39.76
C=CC(C)(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612169	0	36	-1.0	-45.05	285.61	2.07	-42.98
C=CC(C)(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612169	1	36	-1.0	-45.08	285.67	2.08	-43.00
CC(=O)CSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612170	0	34	-1.0	-58.27	297.96	3.38	-54.89
CC(=O)CSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612170	1	34	-1.0	-58.22	298.02	3.40	-54.82
COC1=CC=CN=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612171	0	38	-1.0	-51.54	313.80	2.63	-48.91
COC1=CC=CN=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612171	1	38	-1.0	-51.59	313.85	2.65	-48.94
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SCCO1	REAL250004612172	0	35	-1.0	-44.45	295.30	3.31	-41.14
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SCCO1	REAL250004612172	1	35	-1.0	-44.41	295.35	3.32	-41.09
CC(CN(C)C(=O)C(=O)C1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004612173	0	35	-1.0	-42.04	295.54	1.51	-40.53
CC(CN(C)C(=O)C(=O)C1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004612173	1	35	-1.0	-42.09	295.60	1.52	-40.57
CC(CN(C)C(=O)C1CCOCC1C)C1=N[N-]N=N1	REAL250004612174	0	39	-1.0	-43.98	296.39	2.59	-41.39
CC(CN(C)C(=O)C1CCOCC1C)C1=NN=N[N-]1	REAL250004612174	1	39	-1.0	-43.98	296.44	2.61	-41.37
CC(CN(C)C(=O)C1CC2CCCC(C2)C1)C1=N[N-]N=N1	REAL250004612175	0	45	-1.0	-43.07	320.23	5.71	-37.36
CC(CN(C)C(=O)C1CC2CCCC(C2)C1)C1=NN=N[N-]1	REAL250004612175	1	45	-1.0	-43.10	320.29	5.73	-37.37
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NS1	REAL250004612176	0	31	-1.0	-45.00	271.68	3.08	-41.92
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NS1	REAL250004612176	1	31	-1.0	-44.96	271.73	3.10	-41.86
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CO1	REAL250004612177	0	38	-1.0	-43.56	307.24	4.33	-39.23
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CO1	REAL250004612177	1	38	-1.0	-43.54	307.29	4.34	-39.20
CCC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612178	0	37	-1.0	-42.49	301.82	3.60	-38.89
CCC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612178	1	37	-1.0	-42.48	301.76	3.58	-38.90
CC(CN(C)C(=O)C(C)(C)C(N)=O)C1=N[N-]N=N1	REAL250004612179	0	35	-1.0	-60.52	271.97	0.36	-60.16
CC(CN(C)C(=O)C(C)(C)C(N)=O)C1=NN=N[N-]1	REAL250004612179	1	35	-1.0	-60.49	272.03	0.37	-60.12
CSC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004612180	0	36	-1.0	-44.05	293.25	4.10	-39.95
CSC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004612180	1	36	-1.0	-44.07	293.30	4.11	-39.96
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612181	0	34	-1.0	-44.11	292.64	3.19	-40.92
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612181	1	34	-1.0	-44.11	292.70	3.20	-40.91
CC(CN(C)C(=O)C1CC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004612182	0	38	-1.0	-46.66	311.31	5.06	-41.60
CC(CN(C)C(=O)C1CC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004612182	1	38	-1.0	-46.66	311.36	5.07	-41.59
CC1=CC(=O)N(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612183	0	38	-1.0	-57.49	316.05	4.34	-53.15
CC1=CC(=O)N(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612183	1	38	-1.0	-57.51	316.10	4.35	-53.16
CC(CN(C)C(=O)CC1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004612185	0	34	-1.0	-50.39	290.74	3.28	-47.11
CC(CN(C)C(=O)CC1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004612185	1	34	-1.0	-50.42	290.80	3.29	-47.13
CC(CN(C)C(=O)C1(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004612186	0	35	-1.0	-48.68	288.63	0.34	-48.34
CC(CN(C)C(=O)C1(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004612186	1	35	-1.0	-48.67	288.68	0.35	-48.32
CC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612187	0	33	-1.0	-51.88	277.67	3.12	-48.76
CC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612187	1	33	-1.0	-51.90	277.73	3.13	-48.77
CC(CN(C)C(=O)CCC1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004612188	0	38	-1.0	-52.40	316.42	2.81	-49.59
CC(CN(C)C(=O)CCC1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004612188	1	38	-1.0	-52.42	316.48	2.82	-49.60
CC(CN(C)C(=O)COC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004612189	0	45	-1.0	-51.11	345.65	5.84	-45.27
CC(CN(C)C(=O)COC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004612189	1	45	-1.0	-51.07	345.71	5.85	-45.22
CC(CN(C)C(=O)CCOCC(F)F)C1=N[N-]N=N1	REAL250004612190	0	35	-1.0	-47.33	298.95	2.49	-44.84
CC(CN(C)C(=O)CCOCC(F)F)C1=NN=N[N-]1	REAL250004612190	1	35	-1.0	-47.35	299.01	2.50	-44.85
CC(CN(C)C(=O)C(C)(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004612191	0	44	-1.0	-42.89	316.38	2.25	-40.64
CC(CN(C)C(=O)C(C)(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004612191	1	44	-1.0	-42.84	316.44	2.27	-40.57
CC(CN(C)C(=O)C(F)CC1CCCCC1)C1=N[N-]N=N1	REAL250004612192	0	44	-1.0	-45.33	337.40	6.09	-39.24
CC(CN(C)C(=O)C(F)CC1CCCCC1)C1=NN=N[N-]1	REAL250004612192	1	44	-1.0	-45.36	337.46	6.11	-39.25
CC(CN(C)C(=O)CC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004612193	0	38	-1.0	-54.30	316.68	3.83	-50.47
CC(CN(C)C(=O)CC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004612193	1	38	-1.0	-54.28	316.74	3.84	-50.44
CC(CN(C)C(=O)CC1CCC(=O)C1C)C1=N[N-]N=N1	REAL250004612194	0	40	-1.0	-44.33	317.02	4.44	-39.89
CC(CN(C)C(=O)CC1CCC(=O)C1C)C1=NN=N[N-]1	REAL250004612194	1	40	-1.0	-44.31	317.08	4.46	-39.85
COC1CCCC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612195	0	45	-1.0	-46.10	342.70	4.38	-41.72
COC1CCCC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612195	1	45	-1.0	-46.12	342.75	4.40	-41.72
CC(CN(C)C(=O)C1CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004612196	0	36	-1.0	-45.96	299.54	5.57	-40.39
CC(CN(C)C(=O)C1CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004612196	1	36	-1.0	-45.96	299.59	5.58	-40.38
CC(CN(C)C(=O)C1=CC=C2C=CCCC2=C1)C1=N[N-]N=N1	REAL250004612197	0	40	-1.0	-44.23	319.17	6.41	-37.82
CC(CN(C)C(=O)C1=CC=C2C=CCCC2=C1)C1=NN=N[N-]1	REAL250004612197	1	40	-1.0	-44.21	319.22	6.43	-37.78
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004612198	0	36	-1.0	-44.33	288.12	3.60	-40.73
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004612198	1	36	-1.0	-44.35	288.18	3.62	-40.73
CC(CN(C)C(=O)C1=C(F)C=CC(O)=C1F)C1=N[N-]N=N1	REAL250004612199	0	33	-1.0	-51.29	293.16	1.49	-49.80
CC(CN(C)C(=O)C1=C(F)C=CC(O)=C1F)C1=NN=N[N-]1	REAL250004612199	1	33	-1.0	-51.27	293.21	1.50	-49.77
CC(CN(C)C(=O)C[C@@H]1CCCC[C@H]1O)C1=N[N-]N=N1	REAL250004612200	0	42	-1.0	-47.91	320.15	2.12	-45.79
CC(CN(C)C(=O)C[C@@H]1CCCC[C@H]1O)C1=NN=N[N-]1	REAL250004612200	1	42	-1.0	-47.92	320.21	2.13	-45.79
CC(CN(C)C(=O)C[C@H]1CCCC[C@@H]1O)C1=N[N-]N=N1	REAL250004612201	0	42	-1.0	-48.10	320.15	2.12	-45.98
CC(CN(C)C(=O)C[C@H]1CCCC[C@@H]1O)C1=NN=N[N-]1	REAL250004612201	1	42	-1.0	-48.06	320.20	2.13	-45.93
CC(CN(C)C(=O)C(F)=CC1CCCCC1)C1=N[N-]N=N1	REAL250004612202	0	42	-1.0	-41.32	329.23	5.97	-35.35
CC(CN(C)C(=O)C(F)=CC1CCCCC1)C1=NN=N[N-]1	REAL250004612202	1	42	-1.0	-41.29	329.29	5.99	-35.30
CC(CN(C)C(=O)C(C)(C)C(F)F)C1=N[N-]N=N1	REAL250004612203	0	34	-1.0	-46.66	268.80	3.01	-43.65
CC(CN(C)C(=O)C(C)(C)C(F)F)C1=NN=N[N-]1	REAL250004612203	1	34	-1.0	-46.68	268.86	3.03	-43.65
CC(CN(C)C(=O)C1=CN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004612204	0	40	-1.0	-42.60	324.06	2.98	-39.62
CC(CN(C)C(=O)C1=CN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004612204	1	40	-1.0	-42.62	324.00	2.97	-39.65
CC(C)N1CCOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612205	1	44	-1.0	-44.63	332.02	1.95	-42.68
CC(C)N1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612205	1	44	-1.0	-44.65	332.08	1.97	-42.68
CC(CN(C)C(=O)C1=C(C#N)N(C)N=C1)C1=NN=N[N-]1	REAL250004612206	0	33	-1.0	-50.72	287.83	2.00	-48.72
CC(CN(C)C(=O)C1=C(C#N)N(C)N=C1)C1=N[N-]N=N1	REAL250004612206	1	33	-1.0	-50.79	287.77	1.99	-48.80
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004612207	0	39	-1.0	-40.81	294.89	3.08	-37.73
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004612207	1	39	-1.0	-40.80	294.95	3.10	-37.70
CC(CN(C)C(=O)C=CC1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004612208	0	37	-1.0	-50.06	308.22	5.35	-44.71
CC(CN(C)C(=O)C=CC1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004612208	1	37	-1.0	-50.05	308.27	5.36	-44.69
COC1=CC(C)=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612209	0	38	-1.0	-51.25	309.30	4.53	-46.72
COC1=CC(C)=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612209	1	38	-1.0	-51.26	309.25	4.52	-46.74
CCC(C)C(OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612210	0	41	-1.0	-48.60	316.50	4.04	-44.56
CCC(C)C(OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612210	1	41	-1.0	-48.61	316.56	4.06	-44.55
CC(CN(C)C(=O)C1=CC=C(CO)C(F)=C1)C1=N[N-]N=N1	REAL250004612211	0	36	-1.0	-47.64	300.41	1.60	-46.04
CC(CN(C)C(=O)C1=CC=C(CO)C(F)=C1)C1=NN=N[N-]1	REAL250004612211	1	36	-1.0	-47.66	300.47	1.61	-46.05
CC(CN(C)C(=O)C1=NC=C(Cl)S1)C1=NN=N[N-]1	REAL250004612212	0	28	-1.0	-43.26	264.69	1.62	-41.64
CC(CN(C)C(=O)C1=NC=C(Cl)S1)C1=N[N-]N=N1	REAL250004612212	1	28	-1.0	-43.30	264.63	1.61	-41.69
CC(CN(C)C(=O)CCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004612213	0	43	-1.0	-44.99	340.79	4.95	-40.04
CC(CN(C)C(=O)CCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004612213	1	43	-1.0	-44.98	340.85	4.97	-40.01
CC(CN(C)C(=O)C1=NC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004612215	0	31	-1.0	-46.59	271.32	3.51	-43.08
CC(CN(C)C(=O)C1=NC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004612215	1	31	-1.0	-46.57	271.26	3.49	-43.08
CC(CN(C)C(=O)C1=CC(O)=CC=C1Cl)C1=N[N-]N=N1	REAL250004612216	0	33	-1.0	-49.33	285.62	1.67	-47.66
CC(CN(C)C(=O)C1=CC(O)=CC=C1Cl)C1=NN=N[N-]1	REAL250004612216	1	33	-1.0	-49.30	285.68	1.68	-47.62
COC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612217	0	34	-1.0	-40.41	285.50	0.36	-40.05
COC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612217	1	34	-1.0	-40.40	285.44	0.34	-40.06
CC(CN(C)C(=O)C[C@H]1CCOC1)C1=N[N-]N=N1	REAL250004612218	0	36	-1.0	-49.23	285.03	2.24	-46.99
CC(CN(C)C(=O)C[C@H]1CCOC1)C1=NN=N[N-]1	REAL250004612218	1	36	-1.0	-49.25	285.09	2.25	-47.00
CC(CN(C)C(=O)C1=CN=C2CCCCN12)C1=N[N-]N=N1	REAL250004612219	0	39	-1.0	-44.18	303.59	4.09	-40.09
CC(CN(C)C(=O)C1=CN=C2CCCCN12)C1=NN=N[N-]1	REAL250004612219	1	39	-1.0	-44.20	303.65	4.11	-40.09
CC(CN(C)C(=O)C1=C(Cl)OC=C1)C1=N[N-]N=N1	REAL250004612220	0	29	-1.0	-44.69	262.74	2.73	-41.96
CC(CN(C)C(=O)C1=C(Cl)OC=C1)C1=NN=N[N-]1	REAL250004612220	1	29	-1.0	-44.76	262.80	2.75	-42.01
CSC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612221	0	33	-1.0	-42.62	270.51	3.84	-38.78
CSC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612221	1	33	-1.0	-42.60	270.57	3.86	-38.74
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004612222	0	35	-1.0	-48.90	301.12	5.25	-43.65
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004612222	1	35	-1.0	-48.88	301.17	5.26	-43.62
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004612223	0	37	-1.0	-45.83	305.28	4.42	-41.41
CC(CN(C)C(=O)C1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004612223	1	37	-1.0	-45.82	305.23	4.41	-41.41
CC(CN(C)C(=O)C(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004612225	0	35	-1.0	-41.78	287.87	3.81	-37.97
CC(CN(C)C(=O)C(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004612225	1	35	-1.0	-41.81	287.92	3.82	-37.99
CCC(C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612226	0	40	-1.0	-46.63	309.20	4.84	-41.79
CCC(C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612226	1	40	-1.0	-46.63	309.26	4.86	-41.77
CC(CN(C)C(=O)C1=C2CCCC2=CO1)C1=N[N-]N=N1	REAL250004612227	0	36	-1.0	-47.13	292.95	4.45	-42.68
CC(CN(C)C(=O)C1=C2CCCC2=CO1)C1=NN=N[N-]1	REAL250004612227	1	36	-1.0	-47.16	293.01	4.46	-42.70
CCOC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004612228	0	42	-1.0	-40.64	313.38	3.78	-36.86
CCOC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004612228	1	42	-1.0	-40.67	313.43	3.79	-36.88
CC(CN(C)C(=O)C1=C(CC(N)=O)OC=C1)C1=N[N-]N=N1	REAL250004612229	0	36	-1.0	-50.18	304.60	-0.23	-50.41
CC(CN(C)C(=O)C1=C(CC(N)=O)OC=C1)C1=NN=N[N-]1	REAL250004612229	1	36	-1.0	-50.16	304.66	-0.21	-50.37
CC(CN(C)C(=O)C(O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004612230	0	35	-1.0	-49.96	283.92	0.95	-49.01
CC(CN(C)C(=O)C(O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004612230	1	35	-1.0	-50.02	283.86	0.93	-49.09
CC1=NOC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612231	0	34	-1.0	-48.68	287.12	3.30	-45.38
CC1=NOC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612231	1	34	-1.0	-48.72	287.18	3.32	-45.40
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612232	0	44	-1.0	-53.29	330.51	3.98	-49.31
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612232	1	44	-1.0	-53.30	330.57	4.00	-49.30
CC(CN(C)C(=O)C1=C2CCOCC2=CO1)C1=N[N-]N=N1	REAL250004612233	0	37	-1.0	-47.19	299.96	2.59	-44.60
CC(CN(C)C(=O)C1=C2CCOCC2=CO1)C1=NN=N[N-]1	REAL250004612233	1	37	-1.0	-47.25	300.02	2.61	-44.64
CCC1OCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612234	0	39	-1.0	-48.66	300.66	3.02	-45.64
CCC1OCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612234	1	39	-1.0	-48.66	300.72	3.03	-45.63
CC1=CN=C(COCC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612235	0	38	-1.0	-57.51	322.32	1.06	-56.45
CC1=CN=C(COCC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612235	1	38	-1.0	-57.53	322.38	1.07	-56.46
COCC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612236	0	35	-1.0	-47.64	303.93	0.88	-46.76
COCC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612236	1	35	-1.0	-47.66	303.99	0.89	-46.77
COC(=O)COCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612237	0	35	-1.0	-60.01	299.49	2.96	-57.05
COC(=O)COCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612237	1	35	-1.0	-60.06	299.55	2.98	-57.08
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004612238	0	40	-1.0	-43.61	324.90	2.83	-40.78
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004612238	1	40	-1.0	-43.62	324.96	2.84	-40.78
CC(CN(C)C(=O)CCCCC(C)(C)C)C1=N[N-]N=N1	REAL250004612239	0	46	-1.0	-46.81	350.14	6.15	-40.66
CC(CN(C)C(=O)CCCCC(C)(C)C)C1=NN=N[N-]1	REAL250004612239	1	46	-1.0	-46.80	350.20	6.16	-40.64
CC(CN(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=N[N-]N=N1	REAL250004612240	0	39	-1.0	-46.89	312.17	-4.18	-51.07
CC(CN(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=NN=N[N-]1	REAL250004612240	1	39	-1.0	-46.90	312.23	-4.17	-51.07
CC(CN(C)C(=O)C1=C(F)C=CN=C1F)C1=NN=N[N-]1	REAL250004612241	0	31	-1.0	-46.81	277.09	2.45	-44.36
CC(CN(C)C(=O)C1=C(F)C=CN=C1F)C1=N[N-]N=N1	REAL250004612241	1	31	-1.0	-46.85	277.03	2.44	-44.41
CC(CN(C)C(=O)C1=NN2C=CC=NC2=C1)C1=NN=N[N-]1	REAL250004612242	0	34	-1.0	-52.66	289.42	3.52	-49.14
CC(CN(C)C(=O)C1=NN2C=CC=NC2=C1)C1=N[N-]N=N1	REAL250004612242	1	34	-1.0	-52.67	289.37	3.51	-49.16
CC(CN(C)C(=O)C(C)(O)C1CC1)C1=N[N-]N=N1	REAL250004612243	0	36	-1.0	-41.32	280.63	1.38	-39.94
CC(CN(C)C(=O)C(C)(O)C1CC1)C1=NN=N[N-]1	REAL250004612243	1	36	-1.0	-41.35	280.69	1.39	-39.96
CC(CN(C)C(=O)C1CCC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004612244	0	38	-1.0	-47.07	306.36	4.36	-42.71
CC(CN(C)C(=O)C1CCC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004612244	1	38	-1.0	-47.10	306.41	4.37	-42.73
CC(CN(C)C(=O)CCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004612245	0	44	-1.0	-49.68	341.74	4.07	-45.61
CC(CN(C)C(=O)CCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004612245	1	44	-1.0	-49.68	341.80	4.09	-45.59
CC(CN(C)C(=O)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL250004612246	0	38	-1.0	-46.70	287.94	4.17	-42.53
CC(CN(C)C(=O)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL250004612246	1	38	-1.0	-46.68	287.99	4.19	-42.49
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004612247	0	32	-1.0	-46.79	275.76	3.81	-42.98
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004612247	1	32	-1.0	-46.80	275.82	3.82	-42.98
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004612248	0	31	-1.0	-41.92	273.02	2.70	-39.22
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004612248	1	31	-1.0	-41.92	273.07	2.72	-39.20
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C(C)C)O1	REAL250004612249	0	41	-1.0	-45.40	331.14	5.19	-40.21
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C(C)C)O1	REAL250004612249	1	41	-1.0	-45.37	331.20	5.21	-40.16
CC1=CSC(C(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612250	0	37	-1.0	-47.45	310.26	3.19	-44.26
CC1=CSC(C(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612250	1	37	-1.0	-47.43	310.32	3.20	-44.23
CC1=COC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004612251	0	35	-1.0	-42.53	286.85	3.85	-38.68
CC1=COC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004612251	1	35	-1.0	-42.55	286.91	3.87	-38.68
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1	REAL250004612252	0	36	-1.0	-45.42	289.23	3.31	-42.11
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1	REAL250004612252	1	36	-1.0	-45.41	289.29	3.33	-42.08
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1	REAL250004612253	0	39	-1.0	-46.11	311.11	3.90	-42.21
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1	REAL250004612253	1	39	-1.0	-46.16	311.17	3.91	-42.25
CCC(C)(C#N)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612254	0	35	-1.0	-43.45	278.21	2.86	-40.59
CCC(C)(C#N)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612254	1	35	-1.0	-43.48	278.27	2.88	-40.60
CC(CN(C)C(=O)C(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL250004612255	0	45	-1.0	-47.87	337.10	6.32	-41.55
CC(CN(C)C(=O)C(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL250004612255	1	45	-1.0	-47.89	337.16	6.34	-41.55
CC1=NC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612256	0	37	-1.0	-50.48	302.62	3.83	-46.65
CC1=NC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612256	1	37	-1.0	-50.52	302.68	3.85	-46.67
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612257	0	39	-1.0	-44.00	317.30	6.42	-37.58
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612257	1	39	-1.0	-43.98	317.35	6.44	-37.54
CC(CN(C)C(=O)C1=C(Cl)C=CS1)C1=N[N-]N=N1	REAL250004612258	0	29	-1.0	-44.28	266.62	3.45	-40.83
CC(CN(C)C(=O)C1=C(Cl)C=CS1)C1=NN=N[N-]1	REAL250004612258	1	29	-1.0	-44.30	266.68	3.46	-40.84
CC(CN(C)C(=O)CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004612259	0	38	-1.0	-51.86	318.35	5.47	-46.39
CC(CN(C)C(=O)CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004612259	1	38	-1.0	-51.89	318.40	5.49	-46.40
CC(CN(C)C(=O)COCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004612260	0	39	-1.0	-56.58	325.74	3.21	-53.37
CC(CN(C)C(=O)COCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004612260	1	39	-1.0	-56.63	325.79	3.22	-53.41
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004612261	0	39	-1.0	-46.51	302.63	2.63	-43.88
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004612261	1	39	-1.0	-46.53	302.69	2.65	-43.88
CC(CN(C)C(=O)C1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004612262	0	31	-1.0	-45.10	263.92	0.89	-44.21
CC(CN(C)C(=O)C1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004612262	1	31	-1.0	-45.09	263.86	0.88	-44.21
CC(CN(C)C(=O)C1=CN2C=NC=C2C=C1)C1=N[N-]N=N1	REAL250004612263	0	35	-1.0	-47.29	289.20	5.44	-41.85
CC(CN(C)C(=O)C1=CN2C=NC=C2C=C1)C1=NN=N[N-]1	REAL250004612263	1	35	-1.0	-47.28	289.25	5.46	-41.82
CC(CN(C)C(=O)C1COC(=O)N1)C1=N[N-]N=N1	REAL250004612264	0	31	-1.0	-55.22	261.69	-1.34	-56.56
CC(CN(C)C(=O)C1COC(=O)N1)C1=NN=N[N-]1	REAL250004612264	1	31	-1.0	-55.23	261.74	-1.33	-56.56
CC1=COC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612265	0	35	-1.0	-43.69	294.76	3.82	-39.87
CC1=COC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612265	1	35	-1.0	-43.71	294.82	3.83	-39.88
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004612266	0	40	-1.0	-40.79	293.58	0.92	-39.87
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004612266	1	40	-1.0	-40.76	293.63	0.93	-39.83
COCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004612267	0	35	-1.0	-48.66	299.12	0.78	-47.88
COCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004612267	1	35	-1.0	-48.68	299.18	0.80	-47.88
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC=C1	REAL250004612268	0	38	-1.0	-46.35	306.41	4.53	-41.82
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC=C1	REAL250004612268	1	38	-1.0	-46.35	306.47	4.55	-41.80
CC(CN(C)C(=O)C1=CC=NC2=NNN=C21)C1=N[N-]N=N1	REAL250004612269	0	33	-1.0	-55.80	280.24	0.71	-55.09
CC(CN(C)C(=O)C1=CC=NC2=NNN=C21)C1=NN=N[N-]1	REAL250004612269	1	33	-1.0	-55.81	280.30	0.73	-55.08
CC(CN(C)C(=O)C(NC(N)=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004612270	0	43	-1.0	-44.24	323.49	-0.60	-44.84
CC(CN(C)C(=O)C(NC(N)=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004612270	1	43	-1.0	-44.21	323.54	-0.58	-44.79
CC(C)C1=NN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612271	0	36	-1.0	-42.55	310.77	2.83	-39.72
CC(C)C1=NN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612271	1	36	-1.0	-42.55	310.83	2.85	-39.70
CC(CN(C)C(=O)CCCC1=NC=CS1)C1=N[N-]N=N1	REAL250004612272	0	37	-1.0	-51.10	318.11	3.82	-47.28
CC(CN(C)C(=O)CCCC1=NC=CS1)C1=NN=N[N-]1	REAL250004612272	1	37	-1.0	-51.10	318.17	3.83	-47.27
CC1=NC=CN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612273	0	35	-1.0	-53.53	291.98	3.93	-49.60
CC1=NC=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612273	1	35	-1.0	-53.52	292.04	3.95	-49.57
COCC1=NN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612274	0	39	-1.0	-53.23	322.55	1.48	-51.75
COCC1=NN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612274	1	39	-1.0	-53.24	322.61	1.50	-51.74
CC(CN(C)C(=O)C1=NN(C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004612275	0	32	-1.0	-45.50	284.96	2.89	-42.61
CC(CN(C)C(=O)C1=NN(C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004612275	1	32	-1.0	-45.49	284.91	2.87	-42.62
CC(CN(C)C(=O)C=CC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004612276	0	43	-1.0	-48.17	327.31	3.76	-44.41
CC(CN(C)C(=O)C=CC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004612276	1	43	-1.0	-48.14	327.37	3.78	-44.36
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN=C1F	REAL250004612277	0	34	-1.0	-43.07	284.01	2.87	-40.20
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN=C1F	REAL250004612277	1	34	-1.0	-43.06	283.96	2.86	-40.20
CC(CN(C)C(=O)C1(N(C)C)CC1)C1=N[N-]N=N1	REAL250004612278	1	37	-1.0	-42.71	285.18	1.13	-41.58
CC(CN(C)C(=O)C1(N(C)C)CC1)C1=NN=N[N-]1	REAL250004612278	1	37	-1.0	-42.70	285.24	1.14	-41.56
CC(CN(C)C(=O)C1=CC(C#N)=CC=C1F)C1=N[N-]N=N1	REAL250004612279	0	33	-1.0	-50.42	287.34	4.49	-45.93
CC(CN(C)C(=O)C1=CC(C#N)=CC=C1F)C1=NN=N[N-]1	REAL250004612279	1	33	-1.0	-50.41	287.39	4.51	-45.90
CC(CN(C)C(=O)C1=CC(C=O)=CN1C)C1=N[N-]N=N1	REAL250004612281	0	35	-1.0	-45.56	291.36	3.23	-42.33
CC(CN(C)C(=O)C1=CC(C=O)=CN1C)C1=NN=N[N-]1	REAL250004612281	1	35	-1.0	-45.58	291.41	3.24	-42.34
CC(CN(C)C(=O)C1=CC=C(C=O)N1C)C1=N[N-]N=N1	REAL250004612282	0	35	-1.0	-47.87	286.29	3.10	-44.77
CC(CN(C)C(=O)C1=CC=C(C=O)N1C)C1=NN=N[N-]1	REAL250004612282	1	35	-1.0	-47.84	286.34	3.12	-44.72
CC(CN(C)C(=O)C1CCCN1C=O)C1=N[N-]N=N1	REAL250004612283	0	36	-1.0	-49.82	290.49	2.17	-47.65
CC(CN(C)C(=O)C1CCCN1C=O)C1=NN=N[N-]1	REAL250004612283	1	36	-1.0	-49.82	290.54	2.19	-47.63
CC(CN(C)C(=O)CCC1=NNN=C1)C1=N[N-]N=N1	REAL250004612284	0	34	-1.0	-46.46	285.58	0.97	-45.49
CC(CN(C)C(=O)CCC1=NNN=C1)C1=NN=N[N-]1	REAL250004612284	1	34	-1.0	-46.46	285.63	0.99	-45.47
CCC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004612285	0	40	-1.0	-53.01	326.80	4.91	-48.10
CCC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004612285	1	40	-1.0	-52.96	326.86	4.93	-48.03
CC(CN(C)C(=O)CCC1(O)CCC1)C1=N[N-]N=N1	REAL250004612286	0	39	-1.0	-48.22	307.89	1.78	-46.44
CC(CN(C)C(=O)CCC1(O)CCC1)C1=NN=N[N-]1	REAL250004612286	1	39	-1.0	-48.17	307.95	1.80	-46.37
CC(CN(C)C(=O)C1(C)CC=CCC1)C1=N[N-]N=N1	REAL250004612287	0	39	-1.0	-46.44	286.66	4.48	-41.96
CC(CN(C)C(=O)C1(C)CC=CCC1)C1=NN=N[N-]1	REAL250004612287	1	39	-1.0	-46.46	286.72	4.49	-41.97
CC(CN(C)C(=O)C1=CN(CC2CC2)N=N1)C1=NN=N[N-]1	REAL250004612288	0	38	-1.0	-43.05	316.79	3.47	-39.58
CC(CN(C)C(=O)C1=CN(CC2CC2)N=N1)C1=N[N-]N=N1	REAL250004612288	1	38	-1.0	-43.04	316.73	3.45	-39.59
CC(CN(C)C(=O)C1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004612289	0	37	-1.0	-47.55	305.09	4.57	-42.98
CC(CN(C)C(=O)C1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004612289	1	37	-1.0	-47.55	305.03	4.56	-42.99
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C2=C1CCC2	REAL250004612290	0	42	-1.0	-44.52	329.55	6.55	-37.97
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C2=C1CCC2	REAL250004612290	1	42	-1.0	-44.49	329.61	6.57	-37.92
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CS1	REAL250004612291	0	32	-1.0	-46.69	271.93	3.75	-42.94
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CS1	REAL250004612291	1	32	-1.0	-46.68	271.99	3.76	-42.92
CC(CN(C)C(=O)CC1(O)CCC1)C1=N[N-]N=N1	REAL250004612292	0	36	-1.0	-42.98	284.88	2.20	-40.78
CC(CN(C)C(=O)CC1(O)CCC1)C1=NN=N[N-]1	REAL250004612292	1	36	-1.0	-42.99	284.93	2.22	-40.77
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C(C)C	REAL250004612293	0	41	-1.0	-48.79	330.45	4.54	-44.25
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C(C)C	REAL250004612293	1	41	-1.0	-48.81	330.51	4.55	-44.26
CC(CN(C)C(=O)CCC1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004612294	0	37	-1.0	-47.87	308.64	2.07	-45.80
CC(CN(C)C(=O)CCC1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004612294	1	37	-1.0	-47.90	308.70	2.09	-45.81
CCC(CC(F)(F)F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612295	0	37	-1.0	-44.20	303.74	4.29	-39.91
CCC(CC(F)(F)F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612295	1	37	-1.0	-44.19	303.80	4.30	-39.89
CC(CN(C)C(=O)CC1CCC2CC21)C1=N[N-]N=N1	REAL250004612296	0	39	-1.0	-42.58	301.79	5.42	-37.16
CC(CN(C)C(=O)CC1CCC2CC21)C1=NN=N[N-]1	REAL250004612296	1	39	-1.0	-42.60	301.84	5.44	-37.16
CC1=NN=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612297	0	33	-1.0	-52.95	291.62	1.88	-51.07
CC1=NN=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612297	1	33	-1.0	-52.92	291.67	1.89	-51.03
CC1=CC=C(F)C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612298	0	38	-1.0	-49.91	317.25	5.82	-44.09
CC1=CC=C(F)C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612298	1	38	-1.0	-49.87	317.31	5.83	-44.04
C=CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004612299	0	45	-1.0	-48.30	325.02	5.58	-42.72
C=CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004612299	1	45	-1.0	-48.29	325.08	5.60	-42.69
CC1=CN=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612300	0	40	-1.0	-47.04	328.13	4.78	-42.26
CC1=CN=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612300	1	40	-1.0	-47.06	328.18	4.80	-42.26
CC(CN(C)C(=O)CCC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004612301	0	36	-1.0	-47.06	301.51	3.95	-43.11
CC(CN(C)C(=O)CCC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004612301	1	36	-1.0	-47.05	301.46	3.93	-43.12
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004612302	0	40	-1.0	-40.83	324.30	1.97	-38.86
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004612302	1	40	-1.0	-40.83	324.36	1.98	-38.85
CC(C)CC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612303	0	49	-1.0	-47.28	352.10	6.01	-41.27
CC(C)CC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612303	1	49	-1.0	-47.28	352.16	6.05	-41.23
CC(CN(C)C(=O)CCCC(=O)C1CC1)C1=N[N-]N=N1	REAL250004612304	0	40	-1.0	-56.83	327.72	5.19	-51.64
CC(CN(C)C(=O)CCCC(=O)C1CC1)C1=NN=N[N-]1	REAL250004612304	1	40	-1.0	-56.89	327.78	5.21	-51.68
CC(CN(C)C(=O)C(C)(C)C1CCC1)C1=N[N-]N=N1	REAL250004612305	0	41	-1.0	-48.06	298.42	4.52	-43.54
CC(CN(C)C(=O)C(C)(C)C1CCC1)C1=NN=N[N-]1	REAL250004612305	1	41	-1.0	-48.07	298.48	4.54	-43.53
CC(CN(C)C(=O)C1CC12CCSCC2)C1=N[N-]N=N1	REAL250004612306	0	40	-1.0	-42.90	316.28	5.68	-37.22
CC(CN(C)C(=O)C1CC12CCSCC2)C1=NN=N[N-]1	REAL250004612306	1	40	-1.0	-42.91	316.34	5.69	-37.22
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004612307	0	37	-1.0	-45.91	316.55	3.38	-42.53
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004612307	1	37	-1.0	-45.93	316.61	3.40	-42.53
CCCCCC(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612308	0	41	-1.0	-46.26	321.29	2.89	-43.37
CCCCCC(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612308	1	41	-1.0	-46.24	321.35	2.91	-43.33
CC(CN(C)C(=O)C1=CNC2=NC=CC2=C1)C1=N[N-]N=N1	REAL250004612309	0	35	-1.0	-47.12	287.98	3.40	-43.72
CC(CN(C)C(=O)C1=CNC2=NC=CC2=C1)C1=NN=N[N-]1	REAL250004612309	1	35	-1.0	-47.12	288.04	3.42	-43.70
CC(CN(C)C(=O)C1=CN=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004612309	1	35	-1.0	-46.66	290.20	3.31	-43.35
CC(CN(C)C(=O)C1=CN=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004612309	1	35	-1.0	-46.62	290.25	3.33	-43.29
CC(CN(C)C(=O)CSC(F)F)C1=N[N-]N=N1	REAL250004612310	0	29	-1.0	-46.79	266.63	2.99	-43.80
CC(CN(C)C(=O)CSC(F)F)C1=NN=N[N-]1	REAL250004612310	1	29	-1.0	-46.76	266.68	3.00	-43.76
CCC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612311	0	37	-1.0	-39.85	302.31	3.95	-35.90
CCC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612311	1	37	-1.0	-39.84	302.37	3.96	-35.88
CC(CN(C)C(=O)C1(C(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL250004612312	0	38	-1.0	-39.97	314.10	4.74	-35.23
CC(CN(C)C(=O)C1(C(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL250004612312	1	38	-1.0	-39.97	314.16	4.76	-35.21
CC(=O)C1=CN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612313	0	36	-1.0	-57.45	311.35	1.57	-55.88
CC(=O)C1=CN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612313	1	36	-1.0	-57.47	311.41	1.59	-55.88
CC(CN(C)C(=O)C#CC1=CC=CS1)C1=N[N-]N=N1	REAL250004612314	0	31	-1.0	-46.08	288.16	4.86	-41.22
CC(CN(C)C(=O)C#CC1=CC=CS1)C1=NN=N[N-]1	REAL250004612314	1	31	-1.0	-46.08	288.22	4.87	-41.21
CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612315	0	41	-1.0	-43.09	323.43	5.62	-37.47
CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612315	1	41	-1.0	-43.05	323.49	5.64	-37.41
CC(CN(C)C(=O)C1=CC2=C(CCCC2)N1)C1=N[N-]N=N1	REAL250004612316	0	40	-1.0	-44.78	311.73	4.90	-39.88
CC(CN(C)C(=O)C1=CC2=C(CCCC2)N1)C1=NN=N[N-]1	REAL250004612316	1	40	-1.0	-44.82	311.78	4.91	-39.91
CC(CN(C)C(=O)CCC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004612317	0	39	-1.0	-52.88	314.14	1.59	-51.29
CC(CN(C)C(=O)CCC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004612317	1	39	-1.0	-52.92	314.20	1.61	-51.31
CC(CN(C)C(=O)CC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004612318	0	36	-1.0	-51.37	307.67	2.34	-49.03
CC(CN(C)C(=O)CC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004612318	1	36	-1.0	-51.36	307.73	2.35	-49.01
CC(CN(C)C(=O)C1CCCCC1(F)F)C1=N[N-]N=N1	REAL250004612319	0	38	-1.0	-46.43	300.30	4.55	-41.88
CC(CN(C)C(=O)C1CCCCC1(F)F)C1=NN=N[N-]1	REAL250004612319	1	38	-1.0	-46.49	300.36	4.57	-41.92
CC(CN(C)C(=O)C1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004612320	0	44	-1.0	-42.63	318.53	5.33	-37.30
CC(CN(C)C(=O)C1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004612320	1	44	-1.0	-42.63	318.59	5.34	-37.29
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612321	0	37	-1.0	-48.17	293.71	2.59	-45.58
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612321	1	37	-1.0	-48.21	293.77	2.60	-45.61
COC1COCCC1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612322	0	43	-1.0	-42.87	332.48	2.05	-40.82
COC1COCCC1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612322	1	43	-1.0	-42.87	332.54	2.06	-40.81
CC(C)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612323	0	40	-1.0	-46.77	312.47	4.96	-41.81
CC(C)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612323	1	40	-1.0	-46.75	312.53	4.97	-41.78
CCCC1CCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612324	0	44	-1.0	-43.44	331.97	5.91	-37.53
CCCC1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612324	1	44	-1.0	-43.44	332.02	5.92	-37.52
CC(CN(C)C(=O)C1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL250004612325	0	32	-1.0	-46.75	283.54	2.21	-44.54
CC(CN(C)C(=O)C1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL250004612325	1	32	-1.0	-46.75	283.48	2.19	-44.56
CCOC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612326	0	35	-1.0	-38.89	296.79	0.71	-38.18
CCOC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612326	1	35	-1.0	-38.85	296.73	0.69	-38.16
CC(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1=N[N-]N=N1	REAL250004612327	0	39	-1.0	-54.56	313.79	4.17	-50.39
CC(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1=NN=N[N-]1	REAL250004612327	1	39	-1.0	-54.54	313.85	4.19	-50.35
CC1=CN=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612328	0	34	-1.0	-45.45	278.12	2.93	-42.52
CC1=CN=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612328	1	34	-1.0	-45.45	278.06	2.92	-42.53
CC(CN(C)C(=O)CCCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004612329	0	45	-1.0	-56.69	353.98	5.43	-51.26
CC(CN(C)C(=O)CCCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004612329	1	45	-1.0	-56.73	354.04	5.44	-51.29
CC(CN(C)C(=O)C1=C2CCCCC2=NO1)C1=N[N-]N=N1	REAL250004612330	0	38	-1.0	-39.81	303.22	4.11	-35.70
CC(CN(C)C(=O)C1=C2CCCCC2=NO1)C1=NN=N[N-]1	REAL250004612330	1	38	-1.0	-39.81	303.28	4.12	-35.69
CC(CN(C)C(=O)CC1CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004612331	0	35	-1.0	-54.21	290.30	1.15	-53.06
CC(CN(C)C(=O)CC1CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004612331	1	35	-1.0	-54.18	290.35	1.17	-53.01
CC(CN(C)C(=O)C1=CC=C(C(N)=O)N1)C1=N[N-]N=N1	REAL250004612332	0	34	-1.0	-46.32	285.15	-0.77	-47.09
CC(CN(C)C(=O)C1=CC=C(C(N)=O)N1)C1=NN=N[N-]1	REAL250004612332	1	34	-1.0	-46.32	285.21	-0.76	-47.08
CC(CN(C)C(=O)C1=C2C=CNC2=CC=N1)C1=N[N-]N=N1	REAL250004612333	0	35	-1.0	-48.33	289.33	3.34	-44.99
CC(CN(C)C(=O)C1=C2C=CNC2=CC=N1)C1=NN=N[N-]1	REAL250004612333	1	35	-1.0	-48.35	289.39	3.36	-44.99
CC(CN(C)C(=O)C1=CSC(C#N)=C1)C1=N[N-]N=N1	REAL250004612334	0	30	-1.0	-49.51	274.99	3.59	-45.92
CC(CN(C)C(=O)C1=CSC(C#N)=C1)C1=NN=N[N-]1	REAL250004612334	1	30	-1.0	-49.52	275.05	3.60	-45.92
CC(CN(C)C(=O)C1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004612335	0	42	-1.0	-47.51	323.62	6.53	-40.98
CC(CN(C)C(=O)C1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004612335	1	42	-1.0	-47.48	323.67	6.54	-40.94
CC(CN(C)C(=O)C1=NSC=C1)C1=NN=N[N-]1	REAL250004612336	0	28	-1.0	-45.27	250.22	2.27	-43.00
CC(CN(C)C(=O)C1=NSC=C1)C1=N[N-]N=N1	REAL250004612336	1	28	-1.0	-45.26	250.16	2.25	-43.01
CCC1CCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612337	0	41	-1.0	-43.90	300.31	5.21	-38.69
CCC1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612337	1	41	-1.0	-43.89	300.36	5.22	-38.67
C#CCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612338	0	34	-1.0	-53.03	285.45	3.47	-49.56
C#CCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612338	1	34	-1.0	-53.07	285.50	3.48	-49.59
CC(CN(C)C(=O)C=CC1CCOC1)C1=N[N-]N=N1	REAL250004612339	0	37	-1.0	-49.22	299.34	2.79	-46.43
CC(CN(C)C(=O)C=CC1CCOC1)C1=NN=N[N-]1	REAL250004612339	1	37	-1.0	-49.18	299.40	2.80	-46.38
CC(CN(C)C(=O)C1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL250004612340	0	36	-1.0	-50.07	292.74	3.36	-46.71
CC(CN(C)C(=O)C1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL250004612340	1	36	-1.0	-50.05	292.80	3.38	-46.67
CC(CN(C)C(=O)C1(C#N)CC12CCCC2)C1=N[N-]N=N1	REAL250004612341	0	40	-1.0	-41.46	321.26	5.23	-36.23
CC(CN(C)C(=O)C1(C#N)CC12CCCC2)C1=NN=N[N-]1	REAL250004612341	1	40	-1.0	-41.45	321.32	5.25	-36.20
CC(CN(C)C(=O)C1(C)CCCC1C)C1=N[N-]N=N1	REAL250004612342	0	41	-1.0	-43.73	289.15	4.70	-39.03
CC(CN(C)C(=O)C1(C)CCCC1C)C1=NN=N[N-]1	REAL250004612342	1	41	-1.0	-43.68	289.20	4.72	-38.96
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C#N)N1	REAL250004612343	0	34	-1.0	-43.65	290.32	2.84	-40.81
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C#N)N1	REAL250004612343	1	34	-1.0	-43.66	290.38	2.86	-40.80
CC(CN(C)C(=O)C1=C2CCCN2N=C1)C1=N[N-]N=N1	REAL250004612344	0	36	-1.0	-48.77	292.18	2.66	-46.11
CC(CN(C)C(=O)C1=C2CCCN2N=C1)C1=NN=N[N-]1	REAL250004612344	1	36	-1.0	-48.78	292.24	2.67	-46.11
CC(CN(C)C(=O)C=CC1=CNN=C1)C1=NN=N[N-]1	REAL250004612345	0	33	-1.0	-49.94	280.28	2.17	-47.77
CC(CN(C)C(=O)C=CC1=CNN=C1)C1=N[N-]N=N1	REAL250004612345	1	33	-1.0	-49.91	280.23	2.15	-47.76
CC(CN(C)C(=O)C1=CC(=O)NN=C1)C1=N[N-]N=N1	REAL250004612346	0	31	-1.0	-44.94	262.79	-0.52	-45.46
CC(CN(C)C(=O)C1=CC(=O)NN=C1)C1=NN=N[N-]1	REAL250004612346	1	31	-1.0	-44.95	262.85	-0.51	-45.46
CC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612347	0	33	-1.0	-50.92	272.09	2.58	-48.34
CC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612347	1	33	-1.0	-50.97	272.15	2.60	-48.37
CC(CN(C)C(=O)[C@@H]1CNC(=O)O1)C1=N[N-]N=N1	REAL250004612348	0	31	-1.0	-59.39	261.07	-0.93	-60.32
CC(CN(C)C(=O)[C@@H]1CNC(=O)O1)C1=NN=N[N-]1	REAL250004612348	1	31	-1.0	-59.38	261.13	-0.91	-60.29
CC(CN(C)C(=O)CCC[Si](C)(C)C)C1=N[N-]N=N1	REAL250004612349	0	43	-1.0	-48.06	345.38	7.52	-40.54
CC(CN(C)C(=O)CCC[Si](C)(C)C)C1=NN=N[N-]1	REAL250004612349	1	43	-1.0	-48.10	345.43	7.54	-40.56
CC(CN(C)C(=O)C1CCC2=NC=CN2C1)C1=N[N-]N=N1	REAL250004612350	0	39	-1.0	-44.72	305.17	4.26	-40.46
CC(CN(C)C(=O)C1CCC2=NC=CN2C1)C1=NN=N[N-]1	REAL250004612350	1	39	-1.0	-44.74	305.22	4.27	-40.47
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=N[N-]N=N1	REAL250004612351	0	39	-1.0	-45.57	320.45	5.63	-39.94
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=NN=N[N-]1	REAL250004612351	1	39	-1.0	-45.55	320.51	5.65	-39.90
CC1=NN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612352	0	30	-1.0	-41.28	268.04	1.48	-39.80
CC1=NN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612352	1	30	-1.0	-41.26	268.09	1.50	-39.76
CC(CN(C)C(=O)C(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004612353	0	37	-1.0	-54.41	283.09	3.45	-50.96
CC(CN(C)C(=O)C(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004612353	1	37	-1.0	-54.38	283.15	3.47	-50.91
CC(=O)N[C@H](C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004612354	0	44	-1.0	-43.42	330.65	2.66	-40.76
CC(=O)N[C@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004612354	1	44	-1.0	-43.45	330.70	2.67	-40.78
CC(CN(C)C(=O)CSC1CC1)C1=N[N-]N=N1	REAL250004612355	0	33	-1.0	-48.61	285.52	4.28	-44.33
CC(CN(C)C(=O)CSC1CC1)C1=NN=N[N-]1	REAL250004612355	1	33	-1.0	-48.64	285.58	4.30	-44.34
CC(CN(C)C(=O)C1(C(F)(F)F)CCC1)C1=N[N-]N=N1	REAL250004612356	0	35	-1.0	-41.58	283.19	3.76	-37.82
CC(CN(C)C(=O)C1(C(F)(F)F)CCC1)C1=NN=N[N-]1	REAL250004612356	1	35	-1.0	-41.59	283.25	3.77	-37.82
CC1=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004612357	0	38	-1.0	-52.29	311.53	3.33	-48.96
CC1=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004612357	1	38	-1.0	-52.30	311.59	3.35	-48.95
CC(CN(C)C(=O)C1=C2OCCCN2N=C1)C1=NN=N[N-]1	REAL250004612358	0	37	-1.0	-52.70	300.85	1.12	-51.58
CC(CN(C)C(=O)C1=C2OCCCN2N=C1)C1=N[N-]N=N1	REAL250004612358	1	37	-1.0	-52.70	300.79	1.11	-51.59
CC1=CC(C#N)=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612359	0	35	-1.0	-43.40	304.31	3.56	-39.84
CC1=CC(C#N)=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612359	1	35	-1.0	-43.37	304.25	3.55	-39.82
CC1=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612360	0	35	-1.0	-56.59	292.66	3.06	-53.53
CC1=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612360	1	35	-1.0	-56.60	292.71	3.07	-53.53
COC1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612361	0	42	-1.0	-45.60	318.88	3.38	-42.22
COC1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612361	1	42	-1.0	-45.61	318.94	3.40	-42.21
CNC(=O)NCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612362	0	37	-1.0	-58.20	306.07	-0.92	-59.12
CNC(=O)NCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612362	1	37	-1.0	-58.24	306.12	-0.90	-59.14
CCN1N=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612363	0	34	-1.0	-41.96	285.32	1.70	-40.26
CCN1N=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612363	1	34	-1.0	-42.00	285.26	1.69	-40.31
CCOC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612364	0	36	-1.0	-41.65	297.91	-0.23	-41.88
CCOC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612364	1	36	-1.0	-41.68	297.96	-0.21	-41.89
CC(CN(C)C(=O)C1CCC2=CN=CN2C1)C1=N[N-]N=N1	REAL250004612365	0	39	-1.0	-44.44	306.91	5.03	-39.41
CC(CN(C)C(=O)C1CCC2=CN=CN2C1)C1=NN=N[N-]1	REAL250004612365	1	39	-1.0	-44.45	306.97	5.05	-39.40
CC(CN(C)C(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004612366	0	39	-1.0	-43.43	311.15	6.10	-37.33
CC(CN(C)C(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004612366	1	39	-1.0	-43.44	311.21	6.12	-37.32
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C2CC2)=NO1	REAL250004612367	0	38	-1.0	-41.72	320.90	4.81	-36.91
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C2CC2)=NO1	REAL250004612367	1	38	-1.0	-41.73	320.96	4.82	-36.91
CC(CN(C)C(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL250004612368	0	34	-1.0	-58.10	287.07	4.06	-54.04
CC(CN(C)C(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL250004612368	1	34	-1.0	-58.10	287.02	4.04	-54.06
CC(CN(C)C(=O)C1=NN(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004612369	0	40	-1.0	-52.16	323.62	5.28	-46.88
CC(CN(C)C(=O)C1=NN(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004612369	1	40	-1.0	-52.19	323.56	5.26	-46.93
CCCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004612370	0	37	-1.0	-43.67	307.51	4.35	-39.32
CCCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004612370	1	37	-1.0	-43.66	307.57	4.37	-39.29
CC(CN(C)C(=O)C1=CC=C(Cl)N=C1N)C1=NN=N[N-]1	REAL250004612371	0	33	-1.0	-44.44	289.21	1.70	-42.74
CC(CN(C)C(=O)C1=CC=C(Cl)N=C1N)C1=N[N-]N=N1	REAL250004612371	1	33	-1.0	-44.47	289.15	1.69	-42.78
CCC1=CC=C(C#CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612372	0	40	-1.0	-46.01	341.31	7.23	-38.78
CCC1=CC=C(C#CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612372	1	40	-1.0	-46.01	341.36	7.25	-38.76
CC(CN(C)C(=O)C1=CSC=C1C#N)C1=N[N-]N=N1	REAL250004612373	0	30	-1.0	-54.00	269.64	3.38	-50.62
CC(CN(C)C(=O)C1=CSC=C1C#N)C1=NN=N[N-]1	REAL250004612373	1	30	-1.0	-53.99	269.70	3.39	-50.60
CC(CN(C)C(=O)C1=CNN=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004612374	0	41	-1.0	-47.56	319.44	2.83	-44.73
CC(CN(C)C(=O)C1=CNN=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004612374	1	41	-1.0	-47.51	319.50	2.85	-44.66
CC(CN(C)C(=O)CCC1=NOC=C1)C1=N[N-]N=N1	REAL250004612375	0	34	-1.0	-47.57	286.79	3.21	-44.36
CC(CN(C)C(=O)CCC1=NOC=C1)C1=NN=N[N-]1	REAL250004612375	1	34	-1.0	-47.62	286.85	3.22	-44.40
CC(CN(C)C(=O)C(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004612376	0	34	-1.0	-53.45	274.53	3.35	-50.10
CC(CN(C)C(=O)C(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004612376	1	34	-1.0	-53.45	274.59	3.37	-50.08
CC(CN(C)C(=O)C(C)(O)C1CCC1)C1=N[N-]N=N1	REAL250004612377	0	39	-1.0	-44.07	296.51	1.96	-42.11
CC(CN(C)C(=O)C(C)(O)C1CCC1)C1=NN=N[N-]1	REAL250004612377	1	39	-1.0	-44.07	296.56	1.97	-42.10
CCN1N=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612378	0	34	-1.0	-43.86	277.97	1.24	-42.62
CCN1N=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612378	1	34	-1.0	-43.84	277.91	1.22	-42.62
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004612379	0	35	-1.0	-44.61	282.35	2.73	-41.88
CC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004612379	1	35	-1.0	-44.57	282.41	2.74	-41.83
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004612380	0	38	-1.0	-56.36	312.33	5.39	-50.97
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004612380	1	38	-1.0	-56.35	312.27	5.37	-50.98
CCN1N=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612381	0	37	-1.0	-41.86	304.01	2.26	-39.60
CCN1N=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612381	1	37	-1.0	-41.88	304.06	2.28	-39.60
CC(CN(C)C(=O)C1=CC(C=O)=CN1)C1=N[N-]N=N1	REAL250004612382	0	32	-1.0	-54.81	271.53	2.27	-52.54
CC(CN(C)C(=O)C1=CC(C=O)=CN1)C1=NN=N[N-]1	REAL250004612382	1	32	-1.0	-54.82	271.58	2.29	-52.53
CC(CN(C)C(=O)CC1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004612383	0	35	-1.0	-50.09	296.31	0.47	-49.62
CC(CN(C)C(=O)CC1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004612383	1	35	-1.0	-50.12	296.37	0.48	-49.64
CC(CN(C)C(=O)CCN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004612384	0	38	-1.0	-55.54	320.17	4.06	-51.48
CC(CN(C)C(=O)CCN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004612384	1	38	-1.0	-55.52	320.23	4.08	-51.44
CC(CN(C)C(=O)C1(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004612385	0	34	-1.0	-43.83	291.69	-2.21	-46.04
CC(CN(C)C(=O)C1(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004612385	1	34	-1.0	-43.85	291.75	-2.19	-46.04
CC1=NC=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612386	0	39	-1.0	-46.87	322.83	3.90	-42.97
CC1=NC=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612386	1	39	-1.0	-46.90	322.89	3.91	-42.99
CC(CN(C)C(=O)CCN1C=NC=CC1=O)C1=NN=N[N-]1	REAL250004612387	0	37	-1.0	-52.61	310.67	3.92	-48.69
CC(CN(C)C(=O)CCN1C=NC=CC1=O)C1=N[N-]N=N1	REAL250004612387	1	37	-1.0	-52.63	310.62	3.91	-48.72
CC(=O)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004612388	0	34	-1.0	-56.03	298.10	3.68	-52.35
CC(=O)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004612388	1	34	-1.0	-56.04	298.15	3.69	-52.35
COC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004612389	0	34	-1.0	-46.57	284.73	1.83	-44.74
COC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004612389	1	34	-1.0	-46.60	284.67	1.81	-44.79
CC(CN(C)C(=O)C1CC2CCC1CC2)C1=N[N-]N=N1	REAL250004612390	0	42	-1.0	-46.79	305.72	5.32	-41.47
CC(CN(C)C(=O)C1CC2CCC1CC2)C1=NN=N[N-]1	REAL250004612390	1	42	-1.0	-46.78	305.77	5.33	-41.45
COCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612391	0	36	-1.0	-44.30	301.13	1.16	-43.14
COCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612391	1	36	-1.0	-44.32	301.08	1.15	-43.17
C=CCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612392	0	38	-1.0	-46.80	289.52	3.95	-42.85
C=CCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612392	1	38	-1.0	-46.78	289.58	3.97	-42.81
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1C(C)C	REAL250004612393	0	42	-1.0	-45.36	326.36	5.61	-39.75
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1C(C)C	REAL250004612393	1	42	-1.0	-45.38	326.42	5.62	-39.76
CC1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612394	0	32	-1.0	-42.69	273.99	3.60	-39.09
CC1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612394	1	32	-1.0	-42.64	274.05	3.61	-39.03
CC(CN(C)C(=O)CC1=CNC2=CN=CC=C12)C1=N[N-]N=N1	REAL250004612395	0	38	-1.0	-52.61	317.06	3.41	-49.20
CC(CN(C)C(=O)CC1=CNC2=CN=CC=C12)C1=NN=N[N-]1	REAL250004612395	1	38	-1.0	-52.64	317.12	3.43	-49.21
CCCC(OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612396	0	38	-1.0	-48.65	302.12	3.60	-45.05
CCCC(OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612396	1	38	-1.0	-48.64	302.18	3.62	-45.02
CC(CN(C)C(=O)C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL250004612397	0	31	-1.0	-48.55	272.91	3.86	-44.69
CC(CN(C)C(=O)C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL250004612397	1	31	-1.0	-48.56	272.85	3.84	-44.72
CC(CN(C)C(=O)C1=NN2CCCNC2=N1)C1=NN=N[N-]1	REAL250004612398	0	37	-1.0	-52.21	301.24	3.96	-48.25
CC(CN(C)C(=O)C1=NN2CCCNC2=N1)C1=N[N-]N=N1	REAL250004612398	1	37	-1.0	-52.26	301.19	3.94	-48.32
CC(CN(C)C(=O)C1=C(C2CC2)OC=N1)C1=NN=N[N-]1	REAL250004612399	0	35	-1.0	-43.56	290.70	2.42	-41.14
CC(CN(C)C(=O)C1=C(C2CC2)OC=N1)C1=N[N-]N=N1	REAL250004612399	1	35	-1.0	-43.54	290.64	2.40	-41.14
CC(CN(C)C(=O)C1=C(F)C=CS1)C1=N[N-]N=N1	REAL250004612400	0	29	-1.0	-47.27	257.97	3.00	-44.27
CC(CN(C)C(=O)C1=C(F)C=CS1)C1=NN=N[N-]1	REAL250004612400	1	29	-1.0	-47.24	258.03	3.01	-44.23
COCC(C)C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612401	0	41	-1.0	-47.99	311.95	2.78	-45.21
COCC(C)C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612401	1	41	-1.0	-48.01	312.00	2.80	-45.21
CCC[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612402	0	38	-1.0	-43.03	304.17	5.08	-37.95
CCC[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612402	1	38	-1.0	-43.04	304.22	5.09	-37.95
CC(CN(C)C(=O)CCC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004612403	0	38	-1.0	-49.13	314.64	3.61	-45.52
CC(CN(C)C(=O)CCC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004612403	1	38	-1.0	-49.16	314.70	3.63	-45.53
COC(C)(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004612404	0	39	-1.0	-43.69	293.44	3.62	-40.07
COC(C)(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004612404	1	39	-1.0	-43.72	293.50	3.63	-40.09
COC1CCCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612405	0	42	-1.0	-36.45	314.03	3.90	-32.55
COC1CCCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612405	1	42	-1.0	-36.47	314.09	3.92	-32.55
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004612406	0	34	-1.0	-42.06	283.53	1.54	-40.52
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004612406	1	34	-1.0	-42.07	283.59	1.55	-40.52
CC(CN(C)C(=O)C1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004612407	0	32	-1.0	-46.01	281.01	4.59	-41.42
CC(CN(C)C(=O)C1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004612407	1	32	-1.0	-46.04	281.07	4.60	-41.44
CC(C)N1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612408	0	37	-1.0	-44.46	304.67	2.42	-42.04
CC(C)N1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612408	1	37	-1.0	-44.49	304.61	2.40	-42.09
CC(CN(C)C(=O)CCCC1CC1)C1=N[N-]N=N1	REAL250004612409	0	38	-1.0	-47.05	304.98	5.24	-41.81
CC(CN(C)C(=O)CCCC1CC1)C1=NN=N[N-]1	REAL250004612409	1	38	-1.0	-47.08	305.04	5.25	-41.83
CC(CN(C)C(=O)CCC1=NC=CC=N1)C1=N[N-]N=N1	REAL250004612410	0	36	-1.0	-49.70	301.79	3.12	-46.58
CC(CN(C)C(=O)CCC1=NC=CC=N1)C1=NN=N[N-]1	REAL250004612410	1	36	-1.0	-49.75	301.85	3.13	-46.62
CC(CN(C)C(=O)C1=CC2=CN=CC=C2O1)C1=NN=N[N-]1	REAL250004612411	0	34	-1.0	-41.33	289.19	3.18	-38.15
CC(CN(C)C(=O)C1=CC2=CN=CC=C2O1)C1=N[N-]N=N1	REAL250004612411	1	34	-1.0	-41.31	289.14	3.17	-38.14
CC(CN(C)C(=O)CCC1=CN=CS1)C1=NN=N[N-]1	REAL250004612412	0	34	-1.0	-46.73	296.64	3.16	-43.57
CC(CN(C)C(=O)CCC1=CN=CS1)C1=N[N-]N=N1	REAL250004612412	1	34	-1.0	-46.74	296.58	3.15	-43.59
CC1=CC=CC(Cl)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612413	0	35	-1.0	-45.07	301.32	5.09	-39.98
CC1=CC=CC(Cl)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612413	1	35	-1.0	-45.02	301.38	5.10	-39.92
CC(CN(C)C(=O)CC(C)(C)C1CC1)C1=N[N-]N=N1	REAL250004612414	0	41	-1.0	-45.04	307.31	5.27	-39.77
CC(CN(C)C(=O)CC(C)(C)C1CC1)C1=NN=N[N-]1	REAL250004612414	1	41	-1.0	-45.02	307.37	5.29	-39.73
CC(CN(C)C(=O)C1CCCC2=C1NN=N2)C1=N[N-]N=N1	REAL250004612415	0	38	-1.0	-49.58	302.76	1.71	-47.87
CC(CN(C)C(=O)C1CCCC2=C1NN=N2)C1=NN=N[N-]1	REAL250004612415	1	38	-1.0	-49.60	302.81	1.72	-47.88
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612416	0	37	-1.0	-41.23	303.48	1.36	-39.87
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612416	1	37	-1.0	-41.22	303.54	1.38	-39.84
CC(CN(C)C(=O)C1(Br)CC1)C1=N[N-]N=N1	REAL250004612417	0	29	-1.0	-40.43	259.20	3.29	-37.14
CC(CN(C)C(=O)C1(Br)CC1)C1=NN=N[N-]1	REAL250004612417	1	29	-1.0	-40.43	259.25	3.31	-37.12
CC(CN(C)C(=O)C1=NN(C)N=N1)C1=NN=N[N-]1	REAL250004612418	0	30	-1.0	-43.47	258.33	0.35	-43.12
CC(CN(C)C(=O)C1=NN(C)N=N1)C1=N[N-]N=N1	REAL250004612418	1	30	-1.0	-43.45	258.28	0.34	-43.11
CC(CN(C)C(=O)C1=NOC(CO)=C1)C1=N[N-]N=N1	REAL250004612419	0	32	-1.0	-46.47	275.94	-0.55	-47.02
CC(CN(C)C(=O)C1=NOC(CO)=C1)C1=NN=N[N-]1	REAL250004612419	1	32	-1.0	-46.46	275.99	-0.53	-46.99
CC(CN(C)C(=O)CC1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004612420	0	34	-1.0	-50.93	291.73	3.29	-47.64
CC(CN(C)C(=O)CC1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004612420	1	34	-1.0	-50.95	291.79	3.30	-47.65
CC1=CC=C(O)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612421	0	36	-1.0	-43.35	290.34	1.68	-41.67
CC1=CC=C(O)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612421	1	36	-1.0	-43.36	290.40	1.70	-41.66
COCC1=NOC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612422	0	35	-1.0	-45.48	295.76	1.32	-44.16
COCC1=NOC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612422	1	35	-1.0	-45.52	295.81	1.34	-44.18
COC(=O)CC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612423	0	40	-1.0	-54.80	320.00	4.15	-50.65
COC(=O)CC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612423	1	40	-1.0	-54.78	320.05	4.16	-50.62
CC(CN(C)C(=O)C1=C(C2CC2)N=CO1)C1=N[N-]N=N1	REAL250004612424	0	35	-1.0	-43.11	290.55	1.49	-41.62
CC(CN(C)C(=O)C1=C(C2CC2)N=CO1)C1=NN=N[N-]1	REAL250004612424	1	35	-1.0	-43.12	290.61	1.50	-41.62
CC(CN(C)C(=O)C1(F)CCCCC1)C1=N[N-]N=N1	REAL250004612425	0	38	-1.0	-40.01	291.20	4.37	-35.64
CC(CN(C)C(=O)C1(F)CCCCC1)C1=NN=N[N-]1	REAL250004612425	1	38	-1.0	-40.01	291.26	4.38	-35.63
CC(CN(C)C(=O)C1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL250004612426	0	32	-1.0	-46.27	281.40	3.64	-42.63
CC(CN(C)C(=O)C1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL250004612426	1	32	-1.0	-46.24	281.35	3.62	-42.62
CC1=CC=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612427	0	38	-1.0	-45.93	323.94	5.81	-40.12
CC1=CC=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612427	1	38	-1.0	-45.96	323.99	5.82	-40.14
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004612428	0	35	-1.0	-47.76	294.37	2.88	-44.88
CC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004612428	1	35	-1.0	-47.76	294.43	2.90	-44.86
CC(CN(C)C(=O)CC1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004612429	0	39	-1.0	-51.40	307.90	1.76	-49.64
CC(CN(C)C(=O)CC1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004612429	1	39	-1.0	-51.42	307.96	1.78	-49.64
CC(CN(C)C(=O)C1CCCSC1)C1=N[N-]N=N1	REAL250004612430	0	36	-1.0	-41.17	286.25	4.10	-37.07
CC(CN(C)C(=O)C1CCCSC1)C1=NN=N[N-]1	REAL250004612430	1	36	-1.0	-41.20	286.30	4.12	-37.08
CC(CN(C)C(=O)C1=NN2CCOC2=C1)C1=NN=N[N-]1	REAL250004612431	0	34	-1.0	-48.55	283.82	0.47	-48.08
CC(CN(C)C(=O)C1=NN2CCOC2=C1)C1=N[N-]N=N1	REAL250004612431	1	34	-1.0	-48.49	283.76	0.45	-48.04
C#CC1=CC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612432	0	37	-1.0	-49.59	315.60	6.18	-43.41
C#CC1=CC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612432	1	37	-1.0	-49.58	315.65	6.19	-43.39
CC(CN(C)C(=O)C1=CC2=NON=C2C=C1)C1=NN=N[N-]1	REAL250004612433	0	33	-1.0	-40.42	279.73	2.85	-37.57
CC(CN(C)C(=O)C1=CC2=NON=C2C=C1)C1=N[N-]N=N1	REAL250004612433	1	33	-1.0	-40.39	279.67	2.84	-37.55
CC(CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004612434	0	34	-1.0	-59.31	282.97	-2.27	-61.58
CC(CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004612434	1	34	-1.0	-59.32	283.03	-2.26	-61.58
CC(CN(C)C(=O)C=CCN1CCOCC1)C1=N[N-]N=N1	REAL250004612435	0	42	-1.0	-48.10	332.76	1.25	-46.85
CC(CN(C)C(=O)C=CCN1CCOCC1)C1=NN=N[N-]1	REAL250004612435	1	42	-1.0	-48.10	332.82	1.27	-46.83
CC(CN(C)C(=O)C1CCC2=NN=CN2C1)C1=N[N-]N=N1	REAL250004612436	0	38	-1.0	-47.71	299.78	4.94	-42.77
CC(CN(C)C(=O)C1CCC2=NN=CN2C1)C1=NN=N[N-]1	REAL250004612436	1	38	-1.0	-47.68	299.83	4.96	-42.72
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004612437	0	43	-1.0	-44.02	316.73	1.79	-42.23
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004612437	1	43	-1.0	-43.99	316.79	1.80	-42.19
CC(CN(C)C(=O)C1CCCCCC(=O)C1)C1=N[N-]N=N1	REAL250004612438	0	43	-1.0	-45.48	315.94	4.51	-40.97
CC(CN(C)C(=O)C1CCCCCC(=O)C1)C1=NN=N[N-]1	REAL250004612438	1	43	-1.0	-45.46	316.00	4.54	-40.92
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004612439	0	40	-1.0	-42.61	319.78	5.22	-37.39
CC(C)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004612439	1	40	-1.0	-42.59	319.72	5.21	-37.38
C=CC(=O)N(CC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612440	0	39	-1.0	-54.30	316.20	3.55	-50.75
C=CC(=O)N(CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612440	1	39	-1.0	-54.28	316.26	3.56	-50.72
CC(CN(C)C(=O)CC1=CN=CC=C1Cl)C1=NN=N[N-]1	REAL250004612441	0	34	-1.0	-48.54	299.83	3.77	-44.77
CC(CN(C)C(=O)CC1=CN=CC=C1Cl)C1=N[N-]N=N1	REAL250004612441	1	34	-1.0	-48.54	299.78	3.75	-44.79
CCOC(=O)C(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612442	0	43	-1.0	-42.96	339.13	4.94	-38.02
CCOC(=O)C(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612442	1	43	-1.0	-42.97	339.19	4.96	-38.01
CC(CN(C)C(=O)C1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004612443	0	31	-1.0	-45.62	264.30	1.03	-44.59
CC(CN(C)C(=O)C1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004612443	1	31	-1.0	-45.66	264.24	1.02	-44.64
CC(CN(C)C(=O)C1CCC1C(N)=O)C1=N[N-]N=N1	REAL250004612444	0	36	-1.0	-47.99	293.56	0.01	-47.98
CC(CN(C)C(=O)C1CCC1C(N)=O)C1=NN=N[N-]1	REAL250004612444	1	36	-1.0	-48.01	293.62	0.03	-47.98
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(CO)=NO1	REAL250004612445	0	35	-1.0	-42.75	300.27	-0.15	-42.90
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(CO)=NO1	REAL250004612445	1	35	-1.0	-42.78	300.33	-0.13	-42.91
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CS1	REAL250004612446	0	37	-1.0	-45.21	315.04	3.46	-41.75
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CS1	REAL250004612446	1	37	-1.0	-45.21	314.99	3.44	-41.77
CC(CN(C)C(=O)C(C)(C)C1CC1)C1=N[N-]N=N1	REAL250004612447	0	38	-1.0	-43.99	282.72	4.04	-39.95
CC(CN(C)C(=O)C(C)(C)C1CC1)C1=NN=N[N-]1	REAL250004612447	1	38	-1.0	-43.98	282.78	4.06	-39.92
CC1=NSC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612448	0	34	-1.0	-43.98	296.14	3.16	-40.82
CC1=NSC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612448	1	34	-1.0	-44.00	296.20	3.17	-40.83
CC(CN(C)C(=O)C1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL250004612449	0	35	-1.0	-47.31	294.82	2.81	-44.50
CC(CN(C)C(=O)C1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL250004612449	1	35	-1.0	-47.28	294.76	2.80	-44.48
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1O	REAL250004612450	0	39	-1.0	-47.71	315.67	2.74	-44.97
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1O	REAL250004612450	1	39	-1.0	-47.68	315.72	2.76	-44.92
COC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004612451	0	36	-1.0	-42.63	304.76	3.05	-39.58
COC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004612451	1	36	-1.0	-42.63	304.82	3.07	-39.56
CC(CN(C)C(=O)C1=C(C2CC2)N=NS1)C1=N[N-]N=N1	REAL250004612452	0	34	-1.0	-43.88	292.97	2.79	-41.09
CC(CN(C)C(=O)C1=C(C2CC2)N=NS1)C1=NN=N[N-]1	REAL250004612452	1	34	-1.0	-43.89	293.03	2.81	-41.08
CC(CN(C)C(=O)C1=CN(C)N=C1C1CC1)C1=N[N-]N=N1	REAL250004612453	0	39	-1.0	-47.54	319.93	3.99	-43.55
CC(CN(C)C(=O)C1=CN(C)N=C1C1CC1)C1=NN=N[N-]1	REAL250004612453	1	39	-1.0	-47.54	319.99	4.00	-43.54
CCCC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612454	0	40	-1.0	-43.50	325.76	2.12	-41.38
CCCC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612454	1	40	-1.0	-43.50	325.81	2.14	-41.36
CC(CN(C)C(=O)C12CCC(F)(CC1)CC2)C1=N[N-]N=N1	REAL250004612456	0	42	-1.0	-42.19	308.35	4.99	-37.20
CC(CN(C)C(=O)C12CCC(F)(CC1)CC2)C1=NN=N[N-]1	REAL250004612456	1	42	-1.0	-42.20	308.41	5.00	-37.20
CC(CN(C)C(=O)C1(F)CCOC1)C1=N[N-]N=N1	REAL250004612457	0	33	-1.0	-43.62	266.74	1.33	-42.29
CC(CN(C)C(=O)C1(F)CCOC1)C1=NN=N[N-]1	REAL250004612457	1	33	-1.0	-43.66	266.80	1.35	-42.31
CC(C)C(=O)N[C@@H](CO)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612458	0	42	-1.0	-47.37	335.72	-1.41	-48.78
CC(C)C(=O)N[C@@H](CO)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612458	1	42	-1.0	-47.43	335.77	-1.40	-48.83
CC(CN(C)C(=O)C1(CCF)CC1)C1=N[N-]N=N1	REAL250004612459	0	35	-1.0	-46.55	286.50	4.06	-42.49
CC(CN(C)C(=O)C1(CCF)CC1)C1=NN=N[N-]1	REAL250004612459	1	35	-1.0	-46.57	286.55	4.07	-42.50
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1C	REAL250004612460	0	39	-1.0	-49.58	310.89	4.96	-44.62
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1C	REAL250004612460	1	39	-1.0	-49.54	310.94	4.97	-44.57
CC(CN(C)C(=O)C1=CN=CC=C1C#N)C1=NN=N[N-]1	REAL250004612461	0	32	-1.0	-53.56	279.28	2.55	-51.01
CC(CN(C)C(=O)C1=CN=CC=C1C#N)C1=N[N-]N=N1	REAL250004612461	1	32	-1.0	-53.58	279.23	2.53	-51.05
CC(CN(C)C(=O)CN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004612462	0	32	-1.0	-54.28	287.77	3.01	-51.27
CC(CN(C)C(=O)CN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004612462	1	32	-1.0	-54.26	287.71	3.00	-51.26
CC(CN(C)C(=O)C1(C(F)F)CCCC1)C1=N[N-]N=N1	REAL250004612463	0	38	-1.0	-46.37	290.00	4.17	-42.20
CC(CN(C)C(=O)C1(C(F)F)CCCC1)C1=NN=N[N-]1	REAL250004612463	1	38	-1.0	-46.40	290.06	4.19	-42.21
CC1=NN=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612464	0	33	-1.0	-55.37	282.54	-1.97	-57.34
CC1=NN=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612464	1	33	-1.0	-55.35	282.60	-1.95	-57.30
CC(CN(C)C(=O)CC1(C)CCCC1)C1=N[N-]N=N1	REAL250004612465	0	41	-1.0	-42.29	307.62	5.20	-37.09
CC(CN(C)C(=O)CC1(C)CCCC1)C1=NN=N[N-]1	REAL250004612465	1	41	-1.0	-42.28	307.68	5.22	-37.06
CC(CN(C)C(=O)COCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004612466	0	38	-1.0	-53.57	319.78	3.76	-49.81
CC(CN(C)C(=O)COCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004612466	1	38	-1.0	-53.60	319.83	3.78	-49.82
CC(CN(C)C(=O)CCCCCC#N)C1=N[N-]N=N1	REAL250004612467	0	38	-1.0	-54.39	315.76	4.98	-49.41
CC(CN(C)C(=O)CCCCCC#N)C1=NN=N[N-]1	REAL250004612467	1	38	-1.0	-54.42	315.82	4.99	-49.43
CC(CN(C)C(=O)[C@H](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612468	0	41	-1.0	-42.63	322.03	6.10	-36.53
CC(CN(C)C(=O)[C@H](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612468	1	41	-1.0	-42.60	322.09	6.11	-36.49
CC(CN(C)C(=O)CC1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004612469	0	35	-1.0	-44.88	295.34	4.41	-40.47
CC(CN(C)C(=O)CC1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004612469	1	35	-1.0	-44.89	295.39	4.43	-40.46
CCOC1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612470	0	39	-1.0	-46.04	310.52	3.28	-42.76
CCOC1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612470	1	39	-1.0	-46.09	310.58	3.29	-42.80
CC(CN(C)C(=O)COCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004612471	0	38	-1.0	-53.92	319.79	3.76	-50.16
CC(CN(C)C(=O)COCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004612471	1	38	-1.0	-53.93	319.74	3.74	-50.19
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004612472	0	39	-1.0	-48.78	322.06	4.25	-44.53
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004612472	1	39	-1.0	-48.78	322.00	4.23	-44.55
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004612473	0	38	-1.0	-44.05	312.68	4.64	-39.41
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004612473	1	38	-1.0	-44.03	312.62	4.62	-39.41
CC(CN(C)C(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004612474	0	36	-1.0	-49.78	301.61	4.54	-45.24
CC(CN(C)C(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004612474	1	36	-1.0	-49.77	301.55	4.53	-45.24
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC(=O)N1	REAL250004612475	0	33	-1.0	-42.80	270.89	0.13	-42.67
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC(=O)N1	REAL250004612475	1	33	-1.0	-42.78	270.95	0.15	-42.63
CC1=NN=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004612476	0	34	-1.0	-56.68	285.40	2.37	-54.31
CC1=NN=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004612476	1	34	-1.0	-56.63	285.46	2.39	-54.24
CC(CN(C)C(=O)C1CCNC1=O)C1=N[N-]N=N1	REAL250004612477	0	33	-1.0	-44.45	264.01	-0.39	-44.84
CC(CN(C)C(=O)C1CCNC1=O)C1=NN=N[N-]1	REAL250004612477	1	33	-1.0	-44.50	264.07	-0.37	-44.87
CC(CN(C)C(=O)C1=CC(C(F)F)=NN1)C1=N[N-]N=N1	REAL250004612478	0	32	-1.0	-42.60	277.16	1.86	-40.74
CC(CN(C)C(=O)C1=CC(C(F)F)=NN1)C1=NN=N[N-]1	REAL250004612478	1	32	-1.0	-42.58	277.22	1.88	-40.70
CC(CN(C)C(=O)C=CC1=NC=CN1)C1=N[N-]N=N1	REAL250004612480	0	33	-1.0	-47.96	281.88	2.55	-45.41
CC(CN(C)C(=O)C=CC1=NC=CN1)C1=NN=N[N-]1	REAL250004612480	1	33	-1.0	-48.02	281.94	2.57	-45.45
CC(CC1=CNC=N1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612481	0	38	-1.0	-49.29	305.97	3.77	-45.52
CC(CC1=CNC=N1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612481	1	38	-1.0	-49.27	306.02	3.79	-45.48
CC(CC1=CN=CN1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612481	1	38	-1.0	-47.83	301.70	3.53	-44.30
CC(CN(C)C(=O)CC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004612482	0	39	-1.0	-52.17	307.36	1.38	-50.79
CC(CN(C)C(=O)CC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004612482	1	39	-1.0	-52.12	307.42	1.39	-50.73
CC(CN(C)C(=O)C1=CN=CN=C1C1CC1)C1=N[N-]N=N1	REAL250004612483	0	37	-1.0	-41.54	303.13	4.30	-37.24
CC(CN(C)C(=O)C1=CN=CN=C1C1CC1)C1=NN=N[N-]1	REAL250004612483	1	37	-1.0	-41.52	303.19	4.32	-37.20
CC(CN(C)C(=O)COCC1CCCC1)C1=N[N-]N=N1	REAL250004612484	0	42	-1.0	-50.39	330.36	5.21	-45.18
CC(CN(C)C(=O)COCC1CCCC1)C1=NN=N[N-]1	REAL250004612484	1	42	-1.0	-50.35	330.42	5.23	-45.12
CC(CN(C)C(=O)CC1CC2CCC1O2)C1=N[N-]N=N1	REAL250004612485	0	40	-1.0	-42.88	308.26	3.33	-39.55
CC(CN(C)C(=O)CC1CC2CCC1O2)C1=NN=N[N-]1	REAL250004612485	1	40	-1.0	-42.88	308.32	3.34	-39.54
CC(CN(C)C(=O)C1CCN2C=CN=C2C1)C1=N[N-]N=N1	REAL250004612486	0	39	-1.0	-45.70	307.18	4.35	-41.35
CC(CN(C)C(=O)C1CCN2C=CN=C2C1)C1=NN=N[N-]1	REAL250004612486	1	39	-1.0	-45.73	307.24	4.36	-41.37
CC(CN(C)C(=O)C1(C2CCC2)CCC1)C1=N[N-]N=N1	REAL250004612487	0	42	-1.0	-42.37	303.17	5.39	-36.98
CC(CN(C)C(=O)C1(C2CCC2)CCC1)C1=NN=N[N-]1	REAL250004612487	1	42	-1.0	-42.38	303.23	5.40	-36.98
CC(CN(C)C(=O)C1=CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004612488	0	42	-1.0	-43.00	311.53	5.15	-37.85
CC(CN(C)C(=O)C1=CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004612488	1	42	-1.0	-43.00	311.58	5.16	-37.84
CC(CN(C)C(=O)C1=CCC(C)CC1)C1=N[N-]N=N1	REAL250004612489	0	39	-1.0	-46.12	308.19	5.07	-41.05
CC(CN(C)C(=O)C1=CCC(C)CC1)C1=NN=N[N-]1	REAL250004612489	1	39	-1.0	-46.07	308.25	5.09	-40.98
CC(CN(C)C(=O)C(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004612490	0	43	-1.0	-53.85	331.76	5.43	-48.42
CC(CN(C)C(=O)C(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004612490	1	43	-1.0	-53.87	331.82	5.45	-48.42
CC(CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=N[N-]N=N1	REAL250004612491	0	37	-1.0	-51.46	284.95	2.40	-49.06
CC(CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=NN=N[N-]1	REAL250004612491	1	37	-1.0	-51.49	285.00	2.42	-49.07
CC(CC1=CN(C)N=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612492	0	41	-1.0	-48.61	328.98	3.97	-44.64
CC(CC1=CN(C)N=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612492	1	41	-1.0	-48.64	328.92	3.96	-44.68
CC(C)CCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612493	0	43	-1.0	-46.78	333.97	5.74	-41.04
CC(C)CCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612493	1	43	-1.0	-46.82	334.03	5.75	-41.07
CC(CN(C)C(=O)C1(C)CCCCO1)C1=N[N-]N=N1	REAL250004612494	0	39	-1.0	-40.96	288.90	3.23	-37.73
CC(CN(C)C(=O)C1(C)CCCCO1)C1=NN=N[N-]1	REAL250004612494	1	39	-1.0	-40.96	288.95	3.24	-37.72
CC(CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1=N[N-]N=N1	REAL250004612495	0	47	-1.0	-42.95	315.83	5.47	-37.48
CC(CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1=NN=N[N-]1	REAL250004612495	1	47	-1.0	-42.94	315.88	5.50	-37.44
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004612496	0	42	-1.0	-46.52	314.74	3.15	-43.37
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004612496	1	42	-1.0	-46.53	314.80	3.17	-43.36
CC(CN(C)C(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=N[N-]N=N1	REAL250004612497	0	38	-1.0	-54.19	291.45	5.22	-48.97
CC(CN(C)C(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=NN=N[N-]1	REAL250004612497	1	38	-1.0	-54.17	291.50	5.24	-48.93
CC(CN(C)C(=O)CC1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004612498	0	39	-1.0	-44.13	312.65	2.92	-41.21
CC(CN(C)C(=O)CC1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004612498	1	39	-1.0	-44.18	312.71	2.93	-41.25
CC(CN(C)C(=O)CC1CC(=O)N1)C1=N[N-]N=N1	REAL250004612499	0	33	-1.0	-48.11	275.38	-0.79	-48.90
CC(CN(C)C(=O)CC1CC(=O)N1)C1=NN=N[N-]1	REAL250004612499	1	33	-1.0	-48.13	275.43	-0.78	-48.91
CC(CN(C)C(=O)C1CCOC(=O)N1)C1=N[N-]N=N1	REAL250004612500	0	34	-1.0	-51.73	277.90	-0.30	-52.03
CC(CN(C)C(=O)C1CCOC(=O)N1)C1=NN=N[N-]1	REAL250004612500	1	34	-1.0	-51.73	277.95	-0.28	-52.01
CC(CN(C)C(=O)C(C)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004612501	0	39	-1.0	-51.26	297.51	1.16	-50.10
CC(CN(C)C(=O)C(C)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004612501	1	39	-1.0	-51.26	297.57	1.18	-50.08
CC(CN(C)C(=O)C1=CSC(CO)=N1)C1=N[N-]N=N1	REAL250004612502	0	32	-1.0	-45.32	283.25	-0.65	-45.97
CC(CN(C)C(=O)C1=CSC(CO)=N1)C1=NN=N[N-]1	REAL250004612502	1	32	-1.0	-45.31	283.31	-0.64	-45.95
CC(CN(C)C(=O)CCC1=CNN=C1)C1=NN=N[N-]1	REAL250004612503	0	35	-1.0	-48.38	291.73	2.41	-45.97
CC(CN(C)C(=O)CCC1=CNN=C1)C1=N[N-]N=N1	REAL250004612503	1	35	-1.0	-48.38	291.67	2.39	-45.99
CCC1=NN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612504	0	33	-1.0	-42.79	289.96	2.23	-40.56
CCC1=NN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612504	1	33	-1.0	-42.82	290.02	2.24	-40.58
CC(CN(C)C(=O)C(C)C1CCC1)C1=N[N-]N=N1	REAL250004612505	0	38	-1.0	-47.20	293.77	4.54	-42.66
CC(CN(C)C(=O)C(C)C1CCC1)C1=NN=N[N-]1	REAL250004612505	1	38	-1.0	-47.15	293.82	4.55	-42.60
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NC=C1C#N	REAL250004612506	0	35	-1.0	-44.17	300.61	4.25	-39.92
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NC=C1C#N	REAL250004612506	1	35	-1.0	-44.16	300.67	4.27	-39.89
CCC(CC(F)F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612507	0	37	-1.0	-48.00	289.60	3.86	-44.14
CCC(CC(F)F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612507	1	37	-1.0	-47.98	289.65	3.88	-44.10
CCC(C)(C)OCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612508	0	41	-1.0	-50.08	316.10	4.26	-45.82
CCC(C)(C)OCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612508	1	41	-1.0	-50.11	316.15	4.28	-45.83
CC(CN(C)C(=O)C1CC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004612509	0	44	-1.0	-46.75	329.52	5.58	-41.17
CC(CN(C)C(=O)C1CC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004612509	1	44	-1.0	-46.77	329.57	5.60	-41.17
CC(CN(C)C(=O)CCCS(N)(=O)=O)C1=N[N-]N=N1	REAL250004612510	0	36	-1.0	-61.68	308.64	-2.09	-63.77
CC(CN(C)C(=O)CCCS(N)(=O)=O)C1=NN=N[N-]1	REAL250004612510	1	36	-1.0	-61.73	308.69	-2.07	-63.80
CC(CN(C)C(=O)C1=CN=C2C=CC=NN12)C1=NN=N[N-]1	REAL250004612511	0	34	-1.0	-57.43	285.62	2.71	-54.72
CC(CN(C)C(=O)C1=CN=C2C=CC=NN12)C1=N[N-]N=N1	REAL250004612511	1	34	-1.0	-57.40	285.56	2.69	-54.71
CC(CN(C)C(=O)C1(C#N)C(C#N)C1(C)C)C1=N[N-]N=N1	REAL250004612512	0	37	-1.0	-41.07	308.17	3.92	-37.15
CC(CN(C)C(=O)C1(C#N)C(C#N)C1(C)C)C1=NN=N[N-]1	REAL250004612512	1	37	-1.0	-41.09	308.22	3.93	-37.16
CC(CN(C)C(=O)C1=NC=CC=C1N(C)C)C1=NN=N[N-]1	REAL250004612513	0	39	-1.0	-45.41	312.22	3.98	-41.43
CC(CN(C)C(=O)C1=NC=CC=C1N(C)C)C1=N[N-]N=N1	REAL250004612513	1	39	-1.0	-45.39	312.16	3.96	-41.43
CC(CN(C)C(=O)C1(CO)CCOCC1)C1=N[N-]N=N1	REAL250004612514	0	40	-1.0	-45.65	294.49	-0.11	-45.76
CC(CN(C)C(=O)C1(CO)CCOCC1)C1=NN=N[N-]1	REAL250004612514	1	40	-1.0	-45.64	294.54	-0.09	-45.73
CC1=NON=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612515	0	33	-1.0	-51.50	282.41	1.64	-49.86
CC1=NON=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612515	1	33	-1.0	-51.49	282.47	1.66	-49.83
CC1=CN(C)N=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612516	0	35	-1.0	-46.01	286.93	3.19	-42.82
CC1=CN(C)N=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612516	1	35	-1.0	-46.05	286.87	3.18	-42.87
CC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004612517	0	41	-1.0	-48.16	330.84	4.23	-43.93
CC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004612517	1	41	-1.0	-48.10	330.78	4.22	-43.88
CC(CN(C)C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612518	0	39	-1.0	-47.80	317.54	6.42	-41.38
CC(CN(C)C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612518	1	39	-1.0	-47.80	317.60	6.44	-41.36
CC(CN(C)C(=O)C1(O)CCOC1)C1=N[N-]N=N1	REAL250004612519	0	34	-1.0	-48.81	268.22	-1.52	-50.33
CC(CN(C)C(=O)C1(O)CCOC1)C1=NN=N[N-]1	REAL250004612519	1	34	-1.0	-48.82	268.28	-1.51	-50.33
CC(CN(C)C(=O)C1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004612520	0	31	-1.0	-41.28	274.56	2.68	-38.60
CC(CN(C)C(=O)C1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004612520	1	31	-1.0	-41.27	274.50	2.67	-38.60
CC(CN(C)C(=O)CS(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL250004612521	0	35	-1.0	-62.77	302.61	0.91	-61.86
CC(CN(C)C(=O)CS(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL250004612521	1	35	-1.0	-62.80	302.67	0.92	-61.88
CC(CN(C)C(=O)C(O)C1CCC1)C1=N[N-]N=N1	REAL250004612522	0	36	-1.0	-46.22	279.75	2.14	-44.08
CC(CN(C)C(=O)C(O)C1CCC1)C1=NN=N[N-]1	REAL250004612522	1	36	-1.0	-46.25	279.80	2.15	-44.10
CC(C)CC1=CNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612523	0	42	-1.0	-49.10	330.82	5.13	-43.97
CC(C)CC1=CNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612523	1	42	-1.0	-49.09	330.87	5.15	-43.94
CCCC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612524	0	46	-1.0	-46.43	347.87	6.03	-40.40
CCCC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612524	1	46	-1.0	-46.45	347.93	6.04	-40.41
CCC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612525	0	43	-1.0	-47.22	317.58	4.89	-42.33
CCC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612525	1	43	-1.0	-47.23	317.64	4.91	-42.32
CC(CN(C)C(=O)C1=CC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004612526	0	35	-1.0	-58.71	292.03	4.31	-54.40
CC(CN(C)C(=O)C1=CC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004612526	1	35	-1.0	-58.71	292.09	4.32	-54.39
CC(=O)C1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612527	0	33	-1.0	-44.27	293.16	1.81	-42.46
CC(=O)C1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612527	1	33	-1.0	-44.23	293.22	1.83	-42.40
CC(CN(C)C(=O)C1(C)CCC(=O)CC1)C1=N[N-]N=N1	REAL250004612528	0	40	-1.0	-47.05	297.45	3.54	-43.51
CC(CN(C)C(=O)C1(C)CCC(=O)CC1)C1=NN=N[N-]1	REAL250004612528	1	40	-1.0	-47.08	297.51	3.55	-43.53
CC(CN(C)C(=O)C1=NN2CCCCC2=C1)C1=N[N-]N=N1	REAL250004612529	0	39	-1.0	-48.74	310.70	4.16	-44.58
CC(CN(C)C(=O)C1=NN2CCCCC2=C1)C1=NN=N[N-]1	REAL250004612529	1	39	-1.0	-48.75	310.76	4.18	-44.57
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C)N=C1	REAL250004612530	0	35	-1.0	-42.07	290.81	2.54	-39.53
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C)N=C1	REAL250004612530	1	35	-1.0	-42.07	290.76	2.52	-39.55
COCC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612531	0	41	-1.0	-47.43	315.20	3.22	-44.21
COCC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612531	1	41	-1.0	-47.42	315.26	3.24	-44.18
CCCCCCOC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612532	0	47	-1.0	-50.04	365.66	6.06	-43.98
CCCCCCOC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612532	1	47	-1.0	-50.04	365.72	6.08	-43.96
CC(CN(C)C(=O)C1CCC(F)CC1)C1=N[N-]N=N1	REAL250004612533	0	38	-1.0	-50.29	291.43	4.41	-45.88
CC(CN(C)C(=O)C1CCC(F)CC1)C1=NN=N[N-]1	REAL250004612533	1	38	-1.0	-50.33	291.48	4.42	-45.91
CCC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612534	0	37	-1.0	-43.35	299.95	4.63	-38.72
CCC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612534	1	37	-1.0	-43.35	300.01	4.64	-38.71
CC(CN(C)C(=O)CC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004612535	0	35	-1.0	-49.35	291.48	4.36	-44.99
CC(CN(C)C(=O)CC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004612535	1	35	-1.0	-49.39	291.54	4.37	-45.02
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1C	REAL250004612536	0	37	-1.0	-46.77	299.02	4.47	-42.30
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1C	REAL250004612536	1	37	-1.0	-46.78	299.08	4.49	-42.29
CC(CN(C)C(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004612537	0	36	-1.0	-43.38	300.91	3.69	-39.69
CC(CN(C)C(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004612537	1	36	-1.0	-43.40	300.86	3.67	-39.73
CC(CN(C)C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612538	0	42	-1.0	-44.93	332.36	6.55	-38.38
CC(CN(C)C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612538	1	42	-1.0	-44.99	332.41	6.57	-38.42
CC1=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004612539	0	37	-1.0	-46.57	315.34	3.64	-42.93
CC1=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004612539	1	37	-1.0	-46.61	315.40	3.66	-42.95
CCCN1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1=O	REAL250004612540	0	42	-1.0	-45.12	333.50	3.63	-41.49
CCCN1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1=O	REAL250004612540	1	42	-1.0	-45.16	333.56	3.64	-41.52
CC(CN(C)C(=O)C(C)OC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004612541	0	38	-1.0	-51.01	310.83	3.10	-47.91
CC(CN(C)C(=O)C(C)OC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004612541	1	38	-1.0	-51.00	310.77	3.09	-47.91
C=CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004612542	0	42	-1.0	-43.86	314.24	5.24	-38.62
C=CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004612542	1	42	-1.0	-43.83	314.29	5.25	-38.58
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C	REAL250004612543	0	36	-1.0	-49.60	301.84	0.67	-48.93
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C	REAL250004612543	1	36	-1.0	-49.61	301.78	0.65	-48.96
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612544	0	41	-1.0	-50.66	326.00	4.47	-46.19
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612544	1	41	-1.0	-50.61	326.06	4.49	-46.12
CC(CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004612545	0	31	-1.0	-46.98	269.09	3.21	-43.77
CC(CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004612545	1	31	-1.0	-46.95	269.14	3.23	-43.72
CC1=CC(Cl)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612546	0	34	-1.0	-43.00	295.74	3.26	-39.74
CC1=CC(Cl)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612546	1	34	-1.0	-43.01	295.80	3.28	-39.73
CC(CN(C)C(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004612547	0	42	-1.0	-48.26	339.64	7.21	-41.05
CC(CN(C)C(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004612547	1	42	-1.0	-48.30	339.70	7.23	-41.07
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612548	0	33	-1.0	-45.22	277.08	2.48	-42.74
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612548	1	33	-1.0	-45.21	277.13	2.49	-42.72
CC(C)CC(C(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612549	0	41	-1.0	-53.91	320.21	0.47	-53.44
CC(C)CC(C(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612549	1	41	-1.0	-53.87	320.26	0.48	-53.39
CCCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN1	REAL250004612550	0	39	-1.0	-45.61	310.76	4.08	-41.53
CCCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN1	REAL250004612550	1	39	-1.0	-45.60	310.82	4.09	-41.51
COC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612551	0	41	-1.0	-48.41	316.99	4.37	-44.04
COC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612551	1	41	-1.0	-48.42	317.05	4.38	-44.04
COCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612552	0	38	-1.0	-44.47	319.55	0.97	-43.50
COCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612552	1	38	-1.0	-44.49	319.49	0.96	-43.53
CC(CN(C)C(=O)C1SCCCS1)C1=N[N-]N=N1	REAL250004612553	0	34	-1.0	-44.55	288.67	4.12	-40.43
CC(CN(C)C(=O)C1SCCCS1)C1=NN=N[N-]1	REAL250004612553	1	34	-1.0	-44.60	288.73	4.14	-40.46
CC(CN(C)C(=O)C1CCC2CC2C1)C1=N[N-]N=N1	REAL250004612554	0	39	-1.0	-42.72	293.94	5.00	-37.72
CC(CN(C)C(=O)C1CCC2CC2C1)C1=NN=N[N-]1	REAL250004612554	1	39	-1.0	-42.68	294.00	5.02	-37.66
CC1=C(F)C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612555	0	35	-1.0	-43.52	286.95	4.69	-38.83
CC1=C(F)C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612555	1	35	-1.0	-43.51	287.01	4.70	-38.81
CC(CN(C)C(=O)C=CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004612556	0	36	-1.0	-49.79	300.08	4.74	-45.05
CC(CN(C)C(=O)C=CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004612556	1	36	-1.0	-49.78	300.14	4.76	-45.02
CC(CN(C)C(=O)C1(C)CC1(F)F)C1=N[N-]N=N1	REAL250004612557	0	32	-1.0	-46.20	267.74	3.34	-42.86
CC(CN(C)C(=O)C1(C)CC1(F)F)C1=NN=N[N-]1	REAL250004612557	1	32	-1.0	-46.16	267.79	3.35	-42.81
CC(CN(C)C(=O)[C@@](C)(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612558	0	39	-1.0	-45.31	307.99	2.76	-42.55
CC(CN(C)C(=O)[C@@](C)(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612558	1	39	-1.0	-45.32	308.04	2.78	-42.54
CC1=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004612559	0	35	-1.0	-50.17	303.53	3.47	-46.70
CC1=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004612559	1	35	-1.0	-50.21	303.58	3.48	-46.73
CC(CN(C)C(=O)C1CCC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004612560	0	39	-1.0	-45.35	303.19	2.37	-42.98
CC(CN(C)C(=O)C1CCC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004612560	1	39	-1.0	-45.39	303.24	2.38	-43.01
CCN1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1=O	REAL250004612561	0	42	-1.0	-45.14	326.44	3.39	-41.75
CCN1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1=O	REAL250004612561	1	42	-1.0	-45.16	326.49	3.40	-41.76
CC(CN(C)C(=O)CC(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004612562	0	38	-1.0	-46.77	307.45	3.58	-43.19
CC(CN(C)C(=O)CC(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004612562	1	38	-1.0	-46.75	307.39	3.57	-43.18
C=CC(=O)N(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612563	0	36	-1.0	-53.57	299.60	2.66	-50.91
C=CC(=O)N(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612563	1	36	-1.0	-53.59	299.66	2.67	-50.92
CC(CN(C)C(=O)CC1=NN=CN1)C1=N[N-]N=N1	REAL250004612564	0	31	-1.0	-56.73	263.41	2.53	-54.20
CC(CN(C)C(=O)CC1=NN=CN1)C1=NN=N[N-]1	REAL250004612564	1	31	-1.0	-56.70	263.47	2.54	-54.16
CC(CN(C)C(=O)CC1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004612565	0	35	-1.0	-55.70	297.21	0.09	-55.61
CC(CN(C)C(=O)CC1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004612565	1	35	-1.0	-55.69	297.27	0.10	-55.59
COC1=NSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612566	0	32	-1.0	-43.61	281.86	-0.16	-43.77
COC1=NSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612566	1	32	-1.0	-43.61	281.80	-0.17	-43.78
CC1=C2OC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004612567	0	38	-1.0	-47.35	314.63	5.21	-42.14
CC1=C2OC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004612567	1	38	-1.0	-47.35	314.68	5.23	-42.12
CC(CN(C)C(=O)C(F)=C1CCC1)C1=N[N-]N=N1	REAL250004612568	0	33	-1.0	-40.04	271.58	4.10	-35.94
CC(CN(C)C(=O)C(F)=C1CCC1)C1=NN=N[N-]1	REAL250004612568	1	33	-1.0	-40.04	271.63	4.12	-35.92
CNC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612569	0	35	-1.0	-44.28	289.51	1.10	-43.18
CNC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612569	1	35	-1.0	-44.24	289.46	1.09	-43.15
CC(CN(C)C(=O)C1CCCCC1C)C1=N[N-]N=N1	REAL250004612570	0	41	-1.0	-34.48	292.34	4.42	-30.06
CC(CN(C)C(=O)C1CCCCC1C)C1=NN=N[N-]1	REAL250004612570	1	41	-1.0	-34.47	292.39	4.44	-30.03
C=CCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612571	0	38	-1.0	-44.57	320.19	3.22	-41.35
C=CCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612571	1	38	-1.0	-44.60	320.14	3.21	-41.39
CC(CN(C)C(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004612572	0	36	-1.0	-45.64	301.57	3.71	-41.93
CC(CN(C)C(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004612572	1	36	-1.0	-45.70	301.52	3.70	-42.00
CC(CN(C)C(=O)CN1C=NC(N)=N1)C1=NN=N[N-]1	REAL250004612573	0	33	-1.0	-54.88	280.66	3.51	-51.37
CC(CN(C)C(=O)CN1C=NC(N)=N1)C1=N[N-]N=N1	REAL250004612573	1	33	-1.0	-54.85	280.61	3.50	-51.35
CC(CN(C)C(=O)C1CCCC(F)C1)C1=N[N-]N=N1	REAL250004612574	0	38	-1.0	-41.94	293.27	4.47	-37.47
CC(CN(C)C(=O)C1CCCC(F)C1)C1=NN=N[N-]1	REAL250004612574	1	38	-1.0	-41.98	293.33	4.48	-37.50
CC(CN(C)C(=O)C1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL250004612575	0	32	-1.0	-41.35	278.23	3.73	-37.62
CC(CN(C)C(=O)C1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL250004612575	1	32	-1.0	-41.39	278.29	3.75	-37.64
C=CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004612576	0	43	-1.0	-44.59	314.56	3.18	-41.41
C=CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004612576	1	43	-1.0	-44.53	314.62	3.20	-41.33
C=C(C)C(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612577	0	38	-1.0	-46.54	284.59	3.73	-42.81
C=C(C)C(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612577	1	38	-1.0	-46.57	284.65	3.75	-42.82
CC(CN(C)C(=O)C1CN(C)C(=O)N1)C1=N[N-]N=N1	REAL250004612578	0	35	-1.0	-56.53	287.63	-0.23	-56.76
CC(CN(C)C(=O)C1CN(C)C(=O)N1)C1=NN=N[N-]1	REAL250004612578	1	35	-1.0	-56.52	287.69	-0.21	-56.73
CCC(CC)(CO)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612579	0	41	-1.0	-52.42	299.64	0.55	-51.87
CCC(CC)(CO)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612579	1	41	-1.0	-52.41	299.70	0.57	-51.84
CC1=C(C)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612580	0	42	-1.0	-42.23	316.24	5.48	-36.75
CC1=C(C)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612580	1	42	-1.0	-42.22	316.30	5.50	-36.72
CC(CN(C)C(=O)C1=CN2CCCC2=N1)C1=N[N-]N=N1	REAL250004612581	0	36	-1.0	-47.20	292.53	4.59	-42.61
CC(CN(C)C(=O)C1=CN2CCCC2=N1)C1=NN=N[N-]1	REAL250004612581	1	36	-1.0	-47.20	292.59	4.60	-42.60
CON1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612582	0	41	-1.0	-46.63	317.01	2.15	-44.48
CON1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612582	1	41	-1.0	-46.63	317.07	2.17	-44.46
CC(CN(C)C(=O)C(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004612584	0	37	-1.0	-48.99	296.66	3.62	-45.37
CC(CN(C)C(=O)C(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004612584	1	37	-1.0	-49.00	296.71	3.63	-45.37
CC(CN(C)C(=O)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004612585	0	39	-1.0	-46.60	304.46	5.18	-41.42
CC(CN(C)C(=O)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004612585	1	39	-1.0	-46.59	304.52	5.20	-41.39
COC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612586	0	35	-1.0	-45.21	289.51	2.65	-42.56
COC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612586	1	35	-1.0	-45.19	289.46	2.64	-42.55
CCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612587	0	35	-1.0	-46.11	290.18	3.36	-42.75
CCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612587	1	35	-1.0	-46.10	290.12	3.34	-42.76
CC(CN(C)C(=O)C=CC1CCCC1)C1=N[N-]N=N1	REAL250004612588	0	39	-1.0	-46.58	308.91	5.39	-41.19
CC(CN(C)C(=O)C=CC1CCCC1)C1=NN=N[N-]1	REAL250004612588	1	39	-1.0	-46.58	308.97	5.41	-41.17
CC(CN(C)C(=O)C1CCC(=O)C1)C1=N[N-]N=N1	REAL250004612589	0	34	-1.0	-46.70	273.00	2.91	-43.79
CC(CN(C)C(=O)C1CCC(=O)C1)C1=NN=N[N-]1	REAL250004612589	1	34	-1.0	-46.72	273.06	2.92	-43.80
CC(CN(C)C(=O)C1=CN2CCCCC2=C1)C1=N[N-]N=N1	REAL250004612590	0	40	-1.0	-49.51	313.22	5.35	-44.16
CC(CN(C)C(=O)C1=CN2CCCCC2=C1)C1=NN=N[N-]1	REAL250004612590	1	40	-1.0	-49.55	313.28	5.37	-44.18
CCNC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004612592	0	36	-1.0	-42.52	309.38	2.95	-39.57
CCNC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004612592	1	36	-1.0	-42.55	309.33	2.93	-39.62
COCC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612593	0	39	-1.0	-43.30	313.05	3.35	-39.95
COCC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612593	1	39	-1.0	-43.27	313.11	3.36	-39.91
CC(CN(C)C(=O)CC1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL250004612594	0	35	-1.0	-43.06	301.55	4.68	-38.38
CC(CN(C)C(=O)CC1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL250004612594	1	35	-1.0	-43.06	301.61	4.69	-38.37
CC(CN(C)C(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004612595	0	38	-1.0	-54.48	318.23	4.93	-49.55
CC(CN(C)C(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004612595	1	38	-1.0	-54.44	318.17	4.91	-49.53
CC(C)CN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612596	0	41	-1.0	-42.00	321.92	4.26	-37.74
CC(C)CN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612596	1	41	-1.0	-41.98	321.87	4.25	-37.73
CC(CN(C)C(=O)C1CCCCC1C1CC1)C1=N[N-]N=N1	REAL250004612597	0	45	-1.0	-42.58	323.95	6.10	-36.48
CC(CN(C)C(=O)C1CCCCC1C1CC1)C1=NN=N[N-]1	REAL250004612597	1	45	-1.0	-42.62	324.01	6.11	-36.51
CC(CN(C)C(=O)C1=NN2CCOCC2=C1)C1=N[N-]N=N1	REAL250004612598	0	37	-1.0	-48.50	301.62	1.75	-46.75
CC(CN(C)C(=O)C1=NN2CCOCC2=C1)C1=NN=N[N-]1	REAL250004612598	1	37	-1.0	-48.49	301.68	1.76	-46.73
CC(C)=CCCC(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612599	0	47	-1.0	-46.27	359.35	6.86	-39.41
CC(C)=CCCC(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612599	1	47	-1.0	-46.25	359.40	6.88	-39.37
CC(CN(C)C(=O)CC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004612600	0	35	-1.0	-55.41	292.45	2.88	-52.53
CC(CN(C)C(=O)CC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004612600	1	35	-1.0	-55.45	292.51	2.90	-52.55
CC(CN(C)C(=O)C1(CF)CCC1)C1=N[N-]N=N1	REAL250004612601	0	35	-1.0	-46.77	275.84	3.68	-43.09
CC(CN(C)C(=O)C1(CF)CCC1)C1=NN=N[N-]1	REAL250004612601	1	35	-1.0	-46.80	275.89	3.70	-43.10
CC(CN(C)C(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004612602	0	37	-1.0	-53.43	303.91	4.55	-48.88
CC(CN(C)C(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004612602	1	37	-1.0	-53.42	303.86	4.53	-48.89
C=CCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004612603	0	35	-1.0	-43.12	298.26	2.45	-40.67
C=CCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004612603	1	35	-1.0	-43.11	298.20	2.43	-40.68
CC(CN(C)C(=O)C1=CN(C2CCC2)N=N1)C1=NN=N[N-]1	REAL250004612604	0	38	-1.0	-42.30	309.36	3.03	-39.27
CC(CN(C)C(=O)C1=CN(C2CCC2)N=N1)C1=N[N-]N=N1	REAL250004612604	1	38	-1.0	-42.29	309.30	3.01	-39.28
CC(CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=N[N-]N=N1	REAL250004612605	0	44	-1.0	-46.85	339.52	6.02	-40.83
CC(CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=NN=N[N-]1	REAL250004612605	1	44	-1.0	-46.84	339.58	6.03	-40.81
CC(CN(C)C(=O)C1(C)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004612606	0	42	-1.0	-45.51	323.16	6.15	-39.36
CC(CN(C)C(=O)C1(C)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004612606	1	42	-1.0	-45.56	323.22	6.16	-39.40
COC(=O)C12CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)(C1)C2	REAL250004612607	0	39	-1.0	-49.10	318.71	4.42	-44.68
COC(=O)C12CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)(C1)C2	REAL250004612607	1	39	-1.0	-49.13	318.77	4.43	-44.70
CC1=NOC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612608	0	31	-1.0	-43.81	263.43	2.28	-41.53
CC1=NOC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612608	1	31	-1.0	-43.78	263.48	2.29	-41.49
CC(CN(C)C(=O)C1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004612609	0	32	-1.0	-52.16	275.53	-0.71	-52.87
CC(CN(C)C(=O)C1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004612609	1	32	-1.0	-52.11	275.59	-0.69	-52.80
CC(CN(C)C(=O)C1CCCNC1=O)C1=N[N-]N=N1	REAL250004612610	0	36	-1.0	-48.49	286.03	0.56	-47.93
CC(CN(C)C(=O)C1CCCNC1=O)C1=NN=N[N-]1	REAL250004612610	1	36	-1.0	-48.46	286.08	0.57	-47.89
CC(CN(C)C(=O)C1=CNC(=O)N1C)C1=N[N-]N=N1	REAL250004612611	0	33	-1.0	-45.39	280.79	0.93	-44.46
CC(CN(C)C(=O)C1=CNC(=O)N1C)C1=NN=N[N-]1	REAL250004612611	1	33	-1.0	-45.42	280.85	0.95	-44.47
CC(CN(C)C(=O)CC1CSC1)C1=N[N-]N=N1	REAL250004612612	0	33	-1.0	-46.12	277.94	3.83	-42.29
CC(CN(C)C(=O)CC1CSC1)C1=NN=N[N-]1	REAL250004612612	1	33	-1.0	-46.10	278.00	3.84	-42.26
COC1=NN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612613	0	36	-1.0	-56.41	301.37	-0.18	-56.59
COC1=NN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612613	1	36	-1.0	-56.41	301.32	-0.20	-56.61
CC(CN(C)C(=O)C1=C(C(C)(C)C)N=CN1)C1=N[N-]N=N1	REAL250004612614	0	41	-1.0	-46.91	310.53	4.13	-42.78
CC(CN(C)C(=O)C1=C(C(C)(C)C)N=CN1)C1=NN=N[N-]1	REAL250004612614	1	41	-1.0	-46.87	310.59	4.15	-42.72
CSC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004612615	0	33	-1.0	-46.06	288.05	3.37	-42.69
CSC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004612615	1	33	-1.0	-46.08	288.11	3.38	-42.70
CC1=NN(C(C)C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612616	0	41	-1.0	-49.45	325.93	3.78	-45.67
CC1=NN(C(C)C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612616	1	41	-1.0	-49.42	325.99	3.79	-45.63
CC(CN(C)C(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004612617	0	34	-1.0	-42.73	291.96	3.06	-39.67
CC(CN(C)C(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004612617	1	34	-1.0	-42.70	292.01	3.08	-39.62
C#CCN1CCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612619	0	39	-1.0	-46.87	313.15	2.65	-44.22
C#CCN1CCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612619	1	39	-1.0	-46.88	313.20	2.67	-44.21
CC(CN(C)C(=O)C1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004612620	0	39	-1.0	-44.34	313.21	6.12	-38.22
CC(CN(C)C(=O)C1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004612620	1	39	-1.0	-44.34	313.27	6.13	-38.21
CC1=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)N1C	REAL250004612621	0	38	-1.0	-59.01	320.13	3.35	-55.66
CC1=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)N1C	REAL250004612621	1	38	-1.0	-58.97	320.19	3.36	-55.61
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612622	0	33	-1.0	-43.82	280.51	2.84	-40.98
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612622	1	33	-1.0	-43.80	280.56	2.86	-40.94
CC(CN(C)C(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL250004612623	0	47	-1.0	-46.42	344.52	6.49	-39.93
CC(CN(C)C(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL250004612623	1	47	-1.0	-46.39	344.58	6.51	-39.88
CC(CN(C)C(=O)C1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004612624	0	35	-1.0	-50.53	288.08	0.14	-50.39
CC(CN(C)C(=O)C1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004612624	1	35	-1.0	-50.48	288.13	0.16	-50.32
CC(CN(C)C(=O)C1CCN1C(C)(C)C)C1=NN=N[N-]1	REAL250004612625	1	43	-1.0	-50.19	322.51	1.61	-48.58
CC(CN(C)C(=O)CC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004612626	0	34	-1.0	-51.85	299.41	3.68	-48.17
CC(CN(C)C(=O)CC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004612626	1	34	-1.0	-51.86	299.36	3.67	-48.19
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC=N1	REAL250004612628	0	35	-1.0	-45.20	282.23	3.60	-41.60
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC=N1	REAL250004612628	1	35	-1.0	-45.18	282.29	3.62	-41.56
CC1=CN=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CN12	REAL250004612629	0	38	-1.0	-48.46	319.28	5.38	-43.08
CC1=CN=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CN12	REAL250004612629	1	38	-1.0	-48.49	319.33	5.40	-43.09
CC(CN(C)C(=O)C1(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004612630	0	42	-1.0	-45.96	313.63	2.36	-43.60
CC(CN(C)C(=O)C1(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004612630	1	42	-1.0	-45.97	313.69	2.37	-43.60
CC(CN(C)C(=O)C1=CN=C(Cl)N1C)C1=NN=N[N-]1	REAL250004612631	0	32	-1.0	-44.23	278.12	2.95	-41.28
CC(CN(C)C(=O)C1=CN=C(Cl)N1C)C1=N[N-]N=N1	REAL250004612631	1	32	-1.0	-44.24	278.06	2.94	-41.30
CC(CN(C)C(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL250004612632	0	35	-1.0	-48.43	299.29	2.90	-45.53
CC(CN(C)C(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL250004612632	1	35	-1.0	-48.43	299.35	2.92	-45.51
CC(CN(C)C(=O)CCCCC#N)C1=N[N-]N=N1	REAL250004612633	0	35	-1.0	-49.72	294.26	4.20	-45.52
CC(CN(C)C(=O)CCCCC#N)C1=NN=N[N-]1	REAL250004612633	1	35	-1.0	-49.71	294.32	4.21	-45.50
CC1=CC=CC2=NC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N21	REAL250004612634	0	38	-1.0	-45.68	299.16	4.91	-40.77
CC1=CC=CC2=NC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N21	REAL250004612634	1	38	-1.0	-45.71	299.10	4.89	-40.82
CC(=CC1=CC=NC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612635	0	38	-1.0	-47.13	313.01	4.28	-42.85
CC(=CC1=CC=NC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612635	1	38	-1.0	-47.14	313.07	4.29	-42.85
CC(=CC1=CC=CC=N1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612636	0	38	-1.0	-47.63	304.66	5.05	-42.58
CC(=CC1=CC=CC=N1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612636	1	38	-1.0	-47.65	304.72	5.07	-42.58
CC(=CC1=CC=CN=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612637	0	38	-1.0	-49.65	306.00	4.15	-45.50
CC(=CC1=CC=CN=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612637	1	38	-1.0	-49.67	306.06	4.17	-45.50
CC(=CC1=CC=CO1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612638	0	36	-1.0	-47.63	290.27	4.22	-43.41
CC(=CC1=CC=CO1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612638	1	36	-1.0	-47.63	290.32	4.23	-43.40
CC(CN(C)C(=O)C1=COC(CO)=C1)C1=N[N-]N=N1	REAL250004612639	0	33	-1.0	-45.58	277.16	-0.42	-46.00
CC(CN(C)C(=O)C1=COC(CO)=C1)C1=NN=N[N-]1	REAL250004612639	1	33	-1.0	-45.60	277.22	-0.41	-46.01
COC1=CC=CC(O)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612640	0	37	-1.0	-53.75	309.68	0.79	-52.96
COC1=CC=CC(O)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612640	1	37	-1.0	-53.83	309.74	0.81	-53.02
CC(CN(C)C(=O)[C@H]1CC[C@H](C)CC1)C1=N[N-]N=N1	REAL250004612641	0	41	-1.0	-42.69	307.28	4.99	-37.70
CC(CN(C)C(=O)[C@H]1CC[C@H](C)CC1)C1=NN=N[N-]1	REAL250004612641	1	41	-1.0	-42.71	307.33	5.01	-37.70
CC(CN(C)C(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004612642	0	37	-1.0	-47.73	305.07	4.57	-43.16
CC(CN(C)C(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004612642	1	37	-1.0	-47.76	305.01	4.56	-43.20
CC(CN(C)C(=O)C1=C2NC=NC2=CN=C1)C1=N[N-]N=N1	REAL250004612644	0	34	-1.0	-43.49	286.39	1.91	-41.58
CC(CN(C)C(=O)C1=CNC=C2N=CN=C21)C1=N[N-]N=N1	REAL250004612644	1	34	-1.0	-55.54	281.29	2.84	-52.70
CC(CN(C)C(=O)C1=CNC=C2N=CN=C21)C1=NN=N[N-]1	REAL250004612644	1	34	-1.0	-55.56	281.35	2.85	-52.71
CC(CN(C)C(=O)C1=C2NC=NC2=CN=C1)C1=NN=N[N-]1	REAL250004612644	1	34	-1.0	-43.48	286.44	1.92	-41.56
CC(CN(C)C(=O)CNC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004612645	0	36	-1.0	-50.56	298.10	2.47	-48.09
CC(CN(C)C(=O)CNC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004612645	1	36	-1.0	-50.52	298.16	2.48	-48.04
CC(CN(C)C(=O)C1CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL250004612646	0	34	-1.0	-57.93	285.13	-2.45	-60.38
CC(CN(C)C(=O)C1CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL250004612646	1	34	-1.0	-57.97	285.19	-2.43	-60.40
CC(CN(C)C(=O)C=CC1CCCCCC1)C1=N[N-]N=N1	REAL250004612647	0	45	-1.0	-46.11	338.46	6.43	-39.68
CC(CN(C)C(=O)C=CC1CCCCCC1)C1=NN=N[N-]1	REAL250004612647	1	45	-1.0	-46.08	338.52	6.44	-39.64
CC(CN(C)C(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004612648	0	42	-1.0	-42.73	326.51	6.55	-36.18
CC(CN(C)C(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004612648	1	42	-1.0	-42.70	326.56	6.57	-36.13
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1)C1=N[N-]N=N1	REAL250004612649	0	39	-1.0	-43.23	309.56	5.60	-37.63
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1)C1=NN=N[N-]1	REAL250004612649	1	39	-1.0	-43.25	309.62	5.62	-37.63
CC(CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=N[N-]N=N1	REAL250004612650	0	40	-1.0	-43.93	300.15	5.23	-38.70
CC(CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=NN=N[N-]1	REAL250004612650	1	40	-1.0	-43.91	300.21	5.24	-38.67
CC(CN(C)C(=O)CC(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004612651	0	38	-1.0	-45.94	307.98	5.06	-40.88
CC(CN(C)C(=O)CC(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004612651	1	38	-1.0	-45.96	308.04	5.07	-40.89
CCN1C=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612652	0	38	-1.0	-55.34	313.99	3.74	-51.60
CCN1C=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612652	1	38	-1.0	-55.32	314.04	3.75	-51.57
CSC1=CC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612653	0	35	-1.0	-46.09	294.65	4.31	-41.78
CSC1=CC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612653	1	35	-1.0	-46.09	294.59	4.29	-41.80
CC(CN(C)C(=O)[C@]12C[C@H]1COC2)C1=N[N-]N=N1	REAL250004612654	0	34	-1.0	-48.54	272.27	1.86	-46.68
CC(CN(C)C(=O)[C@]12C[C@H]1COC2)C1=NN=N[N-]1	REAL250004612654	1	34	-1.0	-48.56	272.32	1.87	-46.69
CSC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612655	0	35	-1.0	-44.75	298.26	4.31	-40.44
CSC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612655	1	35	-1.0	-44.79	298.21	4.29	-40.50
CCC1=NOC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612656	0	34	-1.0	-47.71	280.06	2.96	-44.75
CCC1=NOC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612656	1	34	-1.0	-47.70	280.12	2.98	-44.72
CC(=O)NCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612657	0	41	-1.0	-57.88	315.62	1.34	-56.54
CC(=O)NCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612657	1	41	-1.0	-57.92	315.68	1.36	-56.56
CC(CN(C)C(=O)C1CC1C1CCCC1)C1=N[N-]N=N1	REAL250004612658	0	42	-1.0	-43.26	326.43	6.13	-37.13
CC(CN(C)C(=O)C1CC1C1CCCC1)C1=NN=N[N-]1	REAL250004612658	1	42	-1.0	-43.31	326.49	6.15	-37.16
COC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(F)(F)F	REAL250004612659	0	35	-1.0	-44.77	298.40	2.99	-41.78
COC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(F)(F)F	REAL250004612659	1	35	-1.0	-44.81	298.46	3.00	-41.81
CSCC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612660	0	39	-1.0	-42.22	322.39	5.24	-36.98
CSCC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612660	1	39	-1.0	-42.22	322.45	5.25	-36.97
CCCC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612661	0	40	-1.0	-47.33	296.04	4.11	-43.22
CCCC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612661	1	40	-1.0	-47.36	296.10	4.12	-43.24
CC(CN(C)C(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004612662	0	35	-1.0	-66.92	303.32	-0.09	-67.01
CC(CN(C)C(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004612662	1	35	-1.0	-66.95	303.26	-0.10	-67.05
CC(CN(C)C(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004612663	0	39	-1.0	-46.00	321.03	2.42	-43.58
CC(CN(C)C(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004612663	1	39	-1.0	-45.99	320.97	2.40	-43.59
CC1=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=CN2C=C1	REAL250004612664	0	38	-1.0	-51.06	312.60	6.97	-44.09
CC1=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=CN2C=C1	REAL250004612664	1	38	-1.0	-51.08	312.54	6.96	-44.12
CC(CN(C)C(=O)CC1(C#N)CCCCC1)C1=N[N-]N=N1	REAL250004612665	0	42	-1.0	-52.58	322.61	5.07	-47.51
CC(CN(C)C(=O)CC1(C#N)CCCCC1)C1=NN=N[N-]1	REAL250004612665	1	42	-1.0	-52.56	322.67	5.09	-47.47
CC(CN(C)C(=O)C(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004612666	0	37	-1.0	-43.66	288.17	3.64	-40.02
CC(CN(C)C(=O)C(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004612666	1	37	-1.0	-43.65	288.23	3.65	-40.00
CC(CN(C)C(=O)C1=C(C2CC2)C=NN1C)C1=NN=N[N-]1	REAL250004612667	0	39	-1.0	-45.40	324.33	4.15	-41.25
CC(CN(C)C(=O)C1=C(C2CC2)C=NN1C)C1=N[N-]N=N1	REAL250004612667	1	39	-1.0	-45.39	324.27	4.14	-41.25
CC(CN(C)C(=O)C12CC1COC2(C)C)C1=N[N-]N=N1	REAL250004612668	0	40	-1.0	-42.58	295.21	3.10	-39.48
CC(CN(C)C(=O)C12CC1COC2(C)C)C1=NN=N[N-]1	REAL250004612668	1	40	-1.0	-42.58	295.27	3.11	-39.47
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004612669	0	41	-1.0	-45.38	313.12	5.07	-40.31
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004612669	1	41	-1.0	-45.40	313.17	5.08	-40.32
COC1=NOC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612670	0	38	-1.0	-46.96	319.88	1.48	-45.48
COC1=NOC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612670	1	38	-1.0	-46.98	319.94	1.49	-45.49
CC(CN(C)C(=O)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL250004612671	0	34	-1.0	-45.15	284.52	4.16	-40.99
CC(CN(C)C(=O)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL250004612671	1	34	-1.0	-45.17	284.58	4.18	-40.99
CC(CN(C)C(=O)C=CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004612672	0	35	-1.0	-50.74	300.23	2.17	-48.57
CC(CN(C)C(=O)C=CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004612672	1	35	-1.0	-50.79	300.29	2.18	-48.61
C=C(C)CC(NC(C)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612673	0	42	-1.0	-55.47	333.53	3.73	-51.74
C=C(C)CC(NC(C)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612673	1	42	-1.0	-55.47	333.60	3.73	-51.74
CNC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004612674	0	33	-1.0	-45.96	288.13	2.13	-43.83
CNC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004612674	1	33	-1.0	-45.98	288.07	2.11	-43.87
CC(CN(C)C(=O)CN1C=C(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004612675	0	39	-1.0	-50.82	321.76	4.63	-46.19
CC(CN(C)C(=O)CN1C=C(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004612675	1	39	-1.0	-50.88	321.70	4.62	-46.26
CC(CN(C)C(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004612676	0	36	-1.0	-46.38	302.23	4.93	-41.45
CC(CN(C)C(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004612676	1	36	-1.0	-46.39	302.29	4.94	-41.45
CC1=CC(F)=CC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612677	0	38	-1.0	-41.25	310.71	5.24	-36.01
CC1=CC(F)=CC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612677	1	38	-1.0	-41.23	310.77	5.25	-35.98
CSC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612678	0	35	-1.0	-50.02	277.71	3.19	-46.83
CSC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612678	1	35	-1.0	-50.04	277.76	3.21	-46.83
CC(CN(C)C(=O)C1(N2C=NN=N2)CC1)C1=NN=N[N-]1	REAL250004612679	0	34	-1.0	-40.27	283.26	2.14	-38.13
CC(CN(C)C(=O)C1(N2C=NN=N2)CC1)C1=N[N-]N=N1	REAL250004612679	1	34	-1.0	-40.27	283.20	2.13	-38.14
CC(CN(C)C(=O)C(CO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612680	0	39	-1.0	-47.36	313.88	2.12	-45.24
CC(CN(C)C(=O)C(CO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612680	1	39	-1.0	-47.39	313.94	2.13	-45.26
CC(CN(C)C(=O)C(O)C(C)(C)O)C1=N[N-]N=N1	REAL250004612682	0	36	-1.0	-48.34	279.67	-1.56	-49.90
CC(CN(C)C(=O)C(O)C(C)(C)O)C1=NN=N[N-]1	REAL250004612682	1	36	-1.0	-48.33	279.73	-1.54	-49.87
CC(CN(C)C(=O)C1(C)CC(=O)C1)C1=N[N-]N=N1	REAL250004612683	0	34	-1.0	-43.22	271.27	2.66	-40.56
CC(CN(C)C(=O)C1(C)CC(=O)C1)C1=NN=N[N-]1	REAL250004612683	1	34	-1.0	-43.22	271.33	2.68	-40.54
CCC(O)C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612684	0	38	-1.0	-50.28	292.32	2.06	-48.22
CCC(O)C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612684	1	38	-1.0	-50.28	292.37	2.08	-48.20
CCC1=CNC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612685	0	38	-1.0	-56.79	312.37	3.18	-53.61
CCC1=CNC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612685	1	38	-1.0	-56.79	312.42	3.20	-53.59
CC(CN(C)C(=O)C1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL250004612686	0	33	-1.0	-52.65	283.75	5.10	-47.55
CC(CN(C)C(=O)C1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL250004612686	1	33	-1.0	-52.62	283.69	5.08	-47.54
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CO1	REAL250004612687	0	36	-1.0	-45.22	298.97	4.49	-40.73
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CO1	REAL250004612687	1	36	-1.0	-45.20	299.02	4.50	-40.70
CC1=NNC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C12	REAL250004612688	0	38	-1.0	-48.58	311.69	3.35	-45.23
CC1=NNC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C12	REAL250004612688	1	38	-1.0	-48.53	311.75	3.37	-45.16
CC(CN(C)C(=O)C1(C)CCNC1=O)C1=N[N-]N=N1	REAL250004612689	0	36	-1.0	-44.44	277.65	-0.10	-44.54
CC(CN(C)C(=O)C1(C)CCNC1=O)C1=NN=N[N-]1	REAL250004612689	1	36	-1.0	-44.51	277.70	-0.09	-44.60
CC1=CC=NC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612690	0	37	-1.0	-50.07	302.47	3.81	-46.26
CC1=CC=NC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612690	1	37	-1.0	-50.04	302.53	3.83	-46.21
CC(CN(C)C(=O)C1=CC=NN1C(F)F)C1=NN=N[N-]1	REAL250004612691	0	32	-1.0	-44.41	272.03	2.03	-42.38
CC(CN(C)C(=O)C1=CC=NN1C(F)F)C1=N[N-]N=N1	REAL250004612691	1	32	-1.0	-44.39	271.97	2.01	-42.38
CC(C)C1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612692	0	41	-1.0	-47.31	321.79	5.95	-41.36
CC(C)C1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612692	1	41	-1.0	-47.35	321.85	5.97	-41.38
CC1=NN(C(C)CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612693	0	41	-1.0	-47.27	329.32	4.15	-43.12
CC1=NN(C(C)CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612693	1	41	-1.0	-47.25	329.37	4.17	-43.08
CC(CN(C)C(=O)C1CCCC2CC21)C1=N[N-]N=N1	REAL250004612694	0	39	-1.0	-47.07	293.77	4.96	-42.11
CC(CN(C)C(=O)C1CCCC2CC21)C1=NN=N[N-]1	REAL250004612694	1	39	-1.0	-47.09	293.83	4.97	-42.12
CC(CN(C)C(=O)CCCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004612695	0	40	-1.0	-51.38	328.21	4.93	-46.45
CC(CN(C)C(=O)CCCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004612695	1	40	-1.0	-51.40	328.16	4.92	-46.48
CC(CN(C)C(=O)C1=CC=C(CF)C=C1)C1=N[N-]N=N1	REAL250004612696	0	35	-1.0	-44.54	291.27	4.89	-39.65
CC(CN(C)C(=O)C1=CC=C(CF)C=C1)C1=NN=N[N-]1	REAL250004612696	1	35	-1.0	-44.56	291.32	4.91	-39.65
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCOC1	REAL250004612697	0	40	-1.0	-45.11	313.62	1.61	-43.50
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCOC1	REAL250004612697	1	40	-1.0	-45.11	313.67	1.63	-43.48
CC(CN(C)C(=O)CCC1CC1(F)F)C1=N[N-]N=N1	REAL250004612698	0	35	-1.0	-48.71	295.57	4.61	-44.10
CC(CN(C)C(=O)CCC1CC1(F)F)C1=NN=N[N-]1	REAL250004612698	1	35	-1.0	-48.71	295.62	4.62	-44.09
COCCCOCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612699	0	42	-1.0	-45.92	341.11	2.03	-43.89
COCCCOCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612699	1	42	-1.0	-45.92	341.16	2.05	-43.87
COCC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612700	0	38	-1.0	-43.91	314.00	1.89	-42.02
COCC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612700	1	38	-1.0	-43.88	313.94	1.87	-42.01
CC1=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)OC=C1	REAL250004612701	0	35	-1.0	-46.62	291.49	3.89	-42.73
CC1=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)OC=C1	REAL250004612701	1	35	-1.0	-46.65	291.55	3.91	-42.74
CC(CN(C)C(=O)C(C)(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004612702	0	38	-1.0	-56.83	297.31	3.30	-53.53
CC(CN(C)C(=O)C(C)(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004612702	1	38	-1.0	-56.82	297.25	3.29	-53.53
CC(CN(C)C(=O)C1=CN=C2CCCN12)C1=N[N-]N=N1	REAL250004612703	0	36	-1.0	-46.52	288.97	3.57	-42.95
CC(CN(C)C(=O)C1=CN=C2CCCN12)C1=NN=N[N-]1	REAL250004612703	1	36	-1.0	-46.51	289.03	3.58	-42.93
CCCCC(C)(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612704	0	40	-1.0	-43.56	309.85	4.67	-38.89
CCCCC(C)(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612704	1	40	-1.0	-43.55	309.91	4.68	-38.87
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(N)=N1	REAL250004612705	0	35	-1.0	-43.38	288.52	0.98	-42.40
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(N)=N1	REAL250004612705	1	35	-1.0	-43.34	288.58	1.00	-42.34
CC(CN(C)C(=O)C1=C2CCCCN2C=C1)C1=N[N-]N=N1	REAL250004612707	0	40	-1.0	-46.53	312.32	5.40	-41.13
CC(CN(C)C(=O)C1=C2CCCCN2C=C1)C1=NN=N[N-]1	REAL250004612707	1	40	-1.0	-46.56	312.38	5.42	-41.14
CCNC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612708	0	36	-1.0	-47.89	307.36	1.99	-45.90
CCNC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612708	1	36	-1.0	-47.88	307.30	1.98	-45.90
CC(CN(C)C(=O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004612709	0	39	-1.0	-43.54	310.23	6.16	-37.38
CC(CN(C)C(=O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004612709	1	39	-1.0	-43.52	310.28	6.17	-37.35
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCCC1	REAL250004612710	0	42	-1.0	-48.88	323.66	4.75	-44.13
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCCC1	REAL250004612710	1	42	-1.0	-48.81	323.72	4.77	-44.04
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612711	0	42	-1.0	-47.37	335.36	6.94	-40.43
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612711	1	42	-1.0	-47.39	335.42	6.96	-40.43
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCCCC1	REAL250004612712	0	45	-1.0	-49.05	340.91	5.31	-43.74
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCCCC1	REAL250004612712	1	45	-1.0	-49.08	340.97	5.32	-43.76
CC(CC1=CC=CO1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612713	0	38	-1.0	-46.08	305.65	4.32	-41.76
CC(CC1=CC=CO1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612713	1	38	-1.0	-46.08	305.71	4.34	-41.74
CC(CN(C)C(=O)C1CCC1(C)C)C1=N[N-]N=N1	REAL250004612714	0	38	-1.0	-46.21	289.58	4.39	-41.82
CC(CN(C)C(=O)C1CCC1(C)C)C1=NN=N[N-]1	REAL250004612714	1	38	-1.0	-46.18	289.64	4.40	-41.78
CC(CN(C)C(=O)C1CC2(C1)CCCCC2)C1=N[N-]N=N1	REAL250004612715	0	45	-1.0	-42.93	335.18	6.25	-36.68
CC(CN(C)C(=O)C1CC2(C1)CCCCC2)C1=NN=N[N-]1	REAL250004612715	1	45	-1.0	-42.96	335.23	6.26	-36.70
COCC1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612716	0	36	-1.0	-44.50	307.75	2.70	-41.80
COCC1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612716	1	36	-1.0	-44.47	307.81	2.72	-41.75
CC[C@@H]1CCO[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612717	0	39	-1.0	-47.17	297.84	3.99	-43.18
CC[C@@H]1CCO[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612717	1	39	-1.0	-47.20	297.90	4.01	-43.19
CC(CN(C)C(=O)CC(C)C1CCCO1)C1=N[N-]N=N1	REAL250004612718	0	42	-1.0	-42.28	320.19	3.76	-38.52
CC(CN(C)C(=O)CC(C)C1CCCO1)C1=NN=N[N-]1	REAL250004612718	1	42	-1.0	-42.29	320.25	3.77	-38.52
CC(CN(C)C(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL250004612719	0	36	-1.0	-42.32	294.80	2.32	-40.00
CC(CN(C)C(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL250004612719	1	36	-1.0	-42.32	294.86	2.33	-39.99
CC1=CN2C=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=N1	REAL250004612720	0	38	-1.0	-54.79	311.02	5.19	-49.60
CC1=CN2C=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=N1	REAL250004612720	1	38	-1.0	-54.81	311.08	5.20	-49.61
CC(CN(C)C(=O)C1=CN(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004612721	0	35	-1.0	-42.86	293.99	2.56	-40.30
CC(CN(C)C(=O)C1=CN(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004612721	1	35	-1.0	-42.82	293.93	2.55	-40.27
CNC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL250004612722	0	37	-1.0	-45.92	302.68	2.93	-42.99
CNC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL250004612722	1	37	-1.0	-45.93	302.73	2.95	-42.98
CC(CN(C)C(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL250004612723	0	39	-1.0	-46.31	303.35	5.07	-41.24
CC(CN(C)C(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL250004612723	1	39	-1.0	-46.32	303.40	5.09	-41.23
CC(CN(C)C(=O)C1(C(C)(F)F)CC1)C1=N[N-]N=N1	REAL250004612724	0	35	-1.0	-39.30	283.17	3.78	-35.52
CC(CN(C)C(=O)C1(C(C)(F)F)CC1)C1=NN=N[N-]1	REAL250004612724	1	35	-1.0	-39.29	283.23	3.79	-35.50
CC(CN(C)C(=O)COCC(F)F)C1=N[N-]N=N1	REAL250004612725	0	32	-1.0	-56.86	278.00	2.79	-54.07
CC(CN(C)C(=O)COCC(F)F)C1=NN=N[N-]1	REAL250004612725	1	32	-1.0	-56.87	278.06	2.80	-54.07
COC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004612726	0	32	-1.0	-41.93	274.06	-0.58	-42.51
COC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004612726	1	32	-1.0	-41.92	274.00	-0.60	-42.52
CC1=CCC(C)(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612727	0	42	-1.0	-48.08	309.60	5.04	-43.04
CC1=CCC(C)(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612727	1	42	-1.0	-48.04	309.66	5.06	-42.98
CC(CN(C)C(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=N[N-]N=N1	REAL250004612728	0	42	-1.0	-41.70	331.20	3.91	-37.79
CC(CN(C)C(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=NN=N[N-]1	REAL250004612728	1	42	-1.0	-41.70	331.26	3.93	-37.77
CC(CN(C)C(=O)C1(O)CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004612729	0	45	-1.0	-44.14	327.21	3.04	-41.10
CC(CN(C)C(=O)C1(O)CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004612729	1	45	-1.0	-44.10	327.26	3.06	-41.04
CC(CN(C)C(=O)C1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004612730	0	31	-1.0	-51.63	264.91	3.43	-48.20
CC(CN(C)C(=O)C1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004612730	1	31	-1.0	-51.63	264.85	3.41	-48.22
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004612731	0	45	-1.0	-45.50	323.00	4.31	-41.19
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004612731	1	45	-1.0	-45.48	323.06	4.32	-41.16
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612732	0	31	-1.0	-42.01	264.20	-0.04	-42.05
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612732	1	31	-1.0	-42.02	264.26	-0.02	-42.04
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004612733	0	35	-1.0	-40.66	300.28	4.28	-36.38
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004612733	1	35	-1.0	-40.67	300.33	4.30	-36.37
CC(C)C1=NC=CN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612734	0	41	-1.0	-53.17	333.02	4.95	-48.22
CC(C)C1=NC=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612734	1	41	-1.0	-53.19	333.08	4.96	-48.23
CC(CN(C)C(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL250004612735	1	42	-1.0	-46.78	328.19	0.21	-46.57
CC(CN(C)C(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL250004612735	1	42	-1.0	-46.79	328.25	0.23	-46.56
COCC(OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612737	0	36	-1.0	-47.65	293.37	1.24	-46.41
COCC(OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612737	1	36	-1.0	-47.65	293.43	1.25	-46.40
CC(CN(C)C(=O)C1=CN=C2COCCN12)C1=N[N-]N=N1	REAL250004612738	0	37	-1.0	-43.76	294.82	1.73	-42.03
CC(CN(C)C(=O)C1=CN=C2COCCN12)C1=NN=N[N-]1	REAL250004612738	1	37	-1.0	-43.75	294.88	1.74	-42.01
CC(CN(C)C(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL250004612739	0	40	-1.0	-51.48	314.18	2.75	-48.73
CC(CN(C)C(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL250004612739	1	40	-1.0	-51.44	314.23	2.76	-48.68
CCC(C)(C)C(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612742	0	41	-1.0	-45.24	299.42	2.25	-42.99
CCC(C)(C)C(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612742	1	41	-1.0	-45.27	299.48	2.26	-43.01
CC(CN(C)C(=O)C1=CN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004612743	0	35	-1.0	-41.31	295.46	1.67	-39.64
CC(CN(C)C(=O)C1=CN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004612743	1	35	-1.0	-41.31	295.52	1.69	-39.62
CC1=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)O1	REAL250004612745	0	34	-1.0	-55.73	294.73	-0.09	-55.82
CC1=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)O1	REAL250004612745	1	34	-1.0	-55.72	294.79	-0.07	-55.79
CC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CO1	REAL250004612746	0	38	-1.0	-45.55	309.25	4.61	-40.94
CC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CO1	REAL250004612746	1	38	-1.0	-45.56	309.30	4.62	-40.94
CC(CN(C)C(=O)C1C2CCCCCCC21)C1=N[N-]N=N1	REAL250004612747	0	45	-1.0	-47.55	323.65	6.10	-41.45
CC(CN(C)C(=O)C1C2CCCCCCC21)C1=NN=N[N-]1	REAL250004612747	1	45	-1.0	-47.55	323.71	6.11	-41.44
CC(CN(C)C(=O)C1=CC2=NN=NN2C=C1)C1=NN=N[N-]1	REAL250004612748	0	33	-1.0	-48.33	279.75	2.16	-46.17
CC(CN(C)C(=O)C1=CC2=NN=NN2C=C1)C1=N[N-]N=N1	REAL250004612748	1	33	-1.0	-48.33	279.69	2.14	-46.19
CC(CN(C)C(=O)C1CCC(C2CC2)CC1)C1=N[N-]N=N1	REAL250004612749	0	45	-1.0	-46.55	337.36	6.44	-40.11
CC(CN(C)C(=O)C1CCC(C2CC2)CC1)C1=NN=N[N-]1	REAL250004612749	1	45	-1.0	-46.50	337.42	6.46	-40.04
CC(CN(C)C(=O)C1(C)CCN(C)C1=O)C1=N[N-]N=N1	REAL250004612750	0	39	-1.0	-43.33	300.26	2.14	-41.19
CC(CN(C)C(=O)C1(C)CCN(C)C1=O)C1=NN=N[N-]1	REAL250004612750	1	39	-1.0	-43.37	300.31	2.16	-41.21
CC(CN(C)C(=O)C1(C)CC(O)CN1C)C1=N[N-]N=N1	REAL250004612751	1	41	-1.0	-41.79	302.28	-2.01	-43.80
CC(CN(C)C(=O)C1(C)CC(O)CN1C)C1=NN=N[N-]1	REAL250004612751	1	41	-1.0	-41.78	302.33	-1.99	-43.77
CC(CN(C)C(=O)C(C)(C)C1=NC=CS1)C1=NN=N[N-]1	REAL250004612753	0	37	-1.0	-52.71	301.41	2.95	-49.76
CC(CN(C)C(=O)C(C)(C)C1=NC=CS1)C1=N[N-]N=N1	REAL250004612753	1	37	-1.0	-52.69	301.35	2.93	-49.76
CCCC(OCC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612754	0	41	-1.0	-48.52	322.58	4.52	-44.00
CCCC(OCC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612754	1	41	-1.0	-48.54	322.63	4.52	-44.02
COC1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612755	0	36	-1.0	-42.08	288.45	2.31	-39.77
COC1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612755	1	36	-1.0	-42.08	288.51	2.32	-39.76
CC(CN(C)C(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL250004612756	0	40	-1.0	-45.32	316.39	6.83	-38.49
CC(CN(C)C(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL250004612756	1	40	-1.0	-45.34	316.45	6.84	-38.50
CCOC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004612757	0	39	-1.0	-44.74	310.14	4.56	-40.18
CCOC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004612757	1	39	-1.0	-44.77	310.20	4.57	-40.20
CSC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612758	0	36	-1.0	-41.00	308.43	4.38	-36.62
CSC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612758	1	36	-1.0	-40.98	308.48	4.39	-36.59
CC(CN(C)C(=O)C=CC1=CC=CS1)C1=N[N-]N=N1	REAL250004612759	0	33	-1.0	-46.56	289.71	4.70	-41.86
CC(CN(C)C(=O)C=CC1=CC=CS1)C1=NN=N[N-]1	REAL250004612759	1	33	-1.0	-46.57	289.77	4.71	-41.86
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612760	0	41	-1.0	-43.91	323.32	5.98	-37.93
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612760	1	41	-1.0	-43.89	323.38	6.00	-37.89
CC(CN(C)C(=O)C1=CN(C2CC2)N=C1)C1=NN=N[N-]1	REAL250004612761	0	36	-1.0	-47.81	296.34	3.34	-44.47
CC(CN(C)C(=O)C1=CN(C2CC2)N=C1)C1=N[N-]N=N1	REAL250004612761	1	36	-1.0	-47.85	296.28	3.33	-44.52
CC(CN(C)C(=O)CC(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004612762	0	40	-1.0	-46.81	320.58	4.60	-42.21
CC(CN(C)C(=O)CC(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004612762	1	40	-1.0	-46.82	320.63	4.62	-42.20
CC(CN(C)C(=O)[C@@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004612763	0	31	-1.0	-51.48	261.65	-1.36	-52.84
CC(CN(C)C(=O)[C@@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004612763	1	31	-1.0	-51.49	261.71	-1.35	-52.84
CC(CN(C)C(=O)CC1=CSC=N1)C1=N[N-]N=N1	REAL250004612764	0	31	-1.0	-51.88	273.92	2.29	-49.59
CC(CN(C)C(=O)CC1=CSC=N1)C1=NN=N[N-]1	REAL250004612764	1	31	-1.0	-51.90	273.97	2.31	-49.59
CCOC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004612765	0	43	-1.0	-40.53	315.43	1.88	-38.65
CCOC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004612765	1	43	-1.0	-40.53	315.49	1.90	-38.63
CC(CN(C)C(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004612766	0	35	-1.0	-55.87	305.70	3.32	-52.55
CC(CN(C)C(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004612766	1	35	-1.0	-55.85	305.75	3.34	-52.51
CC1=CN2C=CN=C2C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612767	0	38	-1.0	-52.98	318.64	5.52	-47.46
CC1=CN2C=CN=C2C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612767	1	38	-1.0	-52.91	318.70	5.53	-47.38
CC(CN(C)C(=O)C1CCCC2(CC2)C1)C1=N[N-]N=N1	REAL250004612768	0	42	-1.0	-42.75	319.97	5.73	-37.02
CC(CN(C)C(=O)C1CCCC2(CC2)C1)C1=NN=N[N-]1	REAL250004612768	1	42	-1.0	-42.76	320.02	5.74	-37.02
CCCN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612769	0	38	-1.0	-42.11	304.18	3.48	-38.63
CCCN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612769	1	38	-1.0	-42.15	304.12	3.47	-38.68
CC1=CN=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612770	0	35	-1.0	-53.30	292.39	4.65	-48.65
CC1=CN=CN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612770	1	35	-1.0	-53.32	292.34	4.63	-48.69
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004612771	0	39	-1.0	-45.23	307.38	3.93	-41.30
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004612771	1	39	-1.0	-45.26	307.44	3.94	-41.32
CCC1=CNC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612772	0	38	-1.0	-55.23	317.25	2.55	-52.68
CCC1=CNC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612772	1	38	-1.0	-55.23	317.31	2.57	-52.66
CC(CN(C)C(=O)C(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612773	0	39	-1.0	-46.55	318.43	3.65	-42.90
CC(CN(C)C(=O)C(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612773	1	39	-1.0	-46.57	318.49	3.66	-42.91
CC(CN(C)C(=O)C1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004612774	0	32	-1.0	-44.71	289.29	2.49	-42.22
CC(CN(C)C(=O)C1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004612774	1	32	-1.0	-44.73	289.23	2.47	-42.26
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL250004612775	0	35	-1.0	-46.55	303.46	5.02	-41.53
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL250004612775	1	35	-1.0	-46.54	303.52	5.03	-41.51
CC1=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=C1	REAL250004612776	0	41	-1.0	-48.35	333.25	6.44	-41.91
CC1=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=C1	REAL250004612776	1	41	-1.0	-48.37	333.30	6.45	-41.92
CCOC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004612777	0	39	-1.0	-43.81	305.55	3.45	-40.36
CCOC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004612777	1	39	-1.0	-43.78	305.61	3.46	-40.32
CCN1N=CC(Cl)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612778	0	35	-1.0	-41.06	309.84	3.39	-37.67
CCN1N=CC(Cl)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612778	1	35	-1.0	-41.09	309.78	3.38	-37.71
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCC1	REAL250004612779	0	39	-1.0	-48.55	304.14	4.20	-44.35
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCC1	REAL250004612779	1	39	-1.0	-48.59	304.20	4.22	-44.37
CCCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004612780	0	46	-1.0	-46.34	341.33	5.89	-40.45
CCCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004612780	1	46	-1.0	-46.32	341.39	5.90	-40.42
CCN1C=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612781	0	35	-1.0	-46.06	289.49	5.19	-40.87
CCN1C=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612781	1	35	-1.0	-46.07	289.43	5.17	-40.90
CC(CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=N[N-]N=N1	REAL250004612782	0	34	-1.0	-41.92	276.28	2.24	-39.68
CC(CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=NN=N[N-]1	REAL250004612782	1	34	-1.0	-41.91	276.33	2.26	-39.65
CC(CN(C)C(=O)C1CCC2(CC2)CC1)C1=N[N-]N=N1	REAL250004612783	0	42	-1.0	-46.53	320.15	5.73	-40.80
CC(CN(C)C(=O)C1CCC2(CC2)CC1)C1=NN=N[N-]1	REAL250004612783	1	42	-1.0	-46.54	320.21	5.75	-40.79
CC(CN(C)C(=O)C1=NN(C)C=C1Cl)C1=NN=N[N-]1	REAL250004612784	0	32	-1.0	-46.69	283.67	3.04	-43.65
CC(CN(C)C(=O)C1=NN(C)C=C1Cl)C1=N[N-]N=N1	REAL250004612784	1	32	-1.0	-46.72	283.61	3.02	-43.70
CC(CN(C)C(=O)C1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL250004612785	0	29	-1.0	-48.46	269.88	3.61	-44.85
CC(CN(C)C(=O)C1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL250004612785	1	29	-1.0	-48.44	269.94	3.63	-44.81
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CS1	REAL250004612786	0	36	-1.0	-44.47	308.01	5.48	-38.99
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CS1	REAL250004612786	1	36	-1.0	-44.46	308.07	5.49	-38.97
CC1=NC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612787	0	33	-1.0	-44.18	278.96	1.16	-43.02
CC1=NC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612787	1	33	-1.0	-44.16	279.02	1.18	-42.98
CC(CN(C)C(=O)CCC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004612788	0	37	-1.0	-50.40	308.57	2.39	-48.01
CC(CN(C)C(=O)CCC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004612788	1	37	-1.0	-50.40	308.62	2.40	-48.00
CCOCCOCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612789	0	45	-1.0	-52.46	362.91	3.15	-49.31
CCOCCOCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612789	1	45	-1.0	-52.47	362.97	3.17	-49.30
CSC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004612790	0	36	-1.0	-44.19	311.85	4.19	-40.00
CSC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004612790	1	36	-1.0	-44.17	311.91	4.21	-39.96
CC(CN(C)C(=O)C1=CC(Cl)=NO1)C1=NN=N[N-]1	REAL250004612791	0	28	-1.0	-39.88	259.73	2.21	-37.67
CC(CN(C)C(=O)C1=CC(Cl)=NO1)C1=N[N-]N=N1	REAL250004612791	1	28	-1.0	-39.89	259.67	2.19	-37.70
CC(CN(C)C(=O)[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004612792	0	31	-1.0	-51.52	261.65	-1.35	-52.87
CC(CN(C)C(=O)[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004612792	1	31	-1.0	-51.52	261.70	-1.34	-52.86
CC(CN(C)C(=O)C1CNC(=O)N1C)C1=N[N-]N=N1	REAL250004612793	0	35	-1.0	-51.62	286.07	-0.23	-51.85
CC(CN(C)C(=O)C1CNC(=O)N1C)C1=NN=N[N-]1	REAL250004612793	1	35	-1.0	-51.63	286.12	-0.22	-51.85
CCC(C)(C)C(=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612794	0	39	-1.0	-39.70	300.23	3.74	-35.96
CCC(C)(C)C(=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612794	1	39	-1.0	-39.74	300.30	3.75	-35.99
CC(CN(C)C(=O)CC1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004612795	0	38	-1.0	-53.13	317.52	4.79	-48.34
CC(CN(C)C(=O)CC1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004612795	1	38	-1.0	-53.15	317.58	4.81	-48.34
CC1=NOC(C2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)=C1	REAL250004612796	0	38	-1.0	-40.92	312.78	4.20	-36.72
CC1=NOC(C2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)=C1	REAL250004612796	1	38	-1.0	-40.90	312.84	4.22	-36.68
CC(CN(C)C(=O)C1CN(C)CC(C)O1)C1=N[N-]N=N1	REAL250004612798	0	41	-1.0	-49.21	316.55	1.39	-47.82
CC(CN(C)C(=O)C1CN(C)CC(C)O1)C1=NN=N[N-]1	REAL250004612798	1	41	-1.0	-49.19	316.61	1.41	-47.78
CC(CN(C)C(=O)C=CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004612800	0	35	-1.0	-55.48	299.95	5.16	-50.32
CC(CN(C)C(=O)C=CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004612800	1	35	-1.0	-55.47	299.89	5.15	-50.32
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=N[N-]N=N1	REAL250004612801	0	36	-1.0	-51.42	298.61	4.03	-47.39
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=NN=N[N-]1	REAL250004612801	1	36	-1.0	-51.42	298.67	4.04	-47.38
CC1=CC=NN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612802	0	35	-1.0	-53.01	292.40	2.97	-50.04
CC1=CC=NN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612802	1	35	-1.0	-52.98	292.46	2.98	-50.00
CC(CN(C)C(=O)C=CC=C(Cl)Cl)C1=N[N-]N=N1	REAL250004612803	0	30	-1.0	-47.30	286.27	4.35	-42.95
CC(CN(C)C(=O)C=CC=C(Cl)Cl)C1=NN=N[N-]1	REAL250004612803	1	30	-1.0	-47.34	286.33	4.37	-42.97
CC1=C(CO)C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612804	0	36	-1.0	-46.72	300.93	0.69	-46.03
CC1=C(CO)C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612804	1	36	-1.0	-46.69	300.99	0.71	-45.98
CC(CN(C)C(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL250004612805	0	42	-1.0	-45.13	306.53	3.44	-41.69
CC(CN(C)C(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL250004612805	1	42	-1.0	-45.19	306.58	3.46	-41.73
CC(CN(C)C(=O)C1=CC(=O)N(C)C=N1)C1=NN=N[N-]1	REAL250004612807	0	34	-1.0	-55.51	285.68	3.66	-51.85
CC(CN(C)C(=O)C1=CC(=O)N(C)C=N1)C1=N[N-]N=N1	REAL250004612807	1	34	-1.0	-55.53	285.63	3.64	-51.89
CC(CN(C)C(=O)CC=CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612808	0	42	-1.0	-48.91	346.00	7.32	-41.59
CC(CN(C)C(=O)CC=CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612808	1	42	-1.0	-48.93	346.06	7.34	-41.59
CC(CN(C)C(=O)C1OCCN(C)C1=O)C1=N[N-]N=N1	REAL250004612809	0	37	-1.0	-48.72	295.00	1.30	-47.42
CC(CN(C)C(=O)C1OCCN(C)C1=O)C1=NN=N[N-]1	REAL250004612809	1	37	-1.0	-48.68	295.06	1.32	-47.36
CC(CN(C)C(=O)C1(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL250004612810	0	38	-1.0	-42.21	306.00	4.15	-38.06
CC(CN(C)C(=O)C1(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL250004612810	1	38	-1.0	-42.23	305.95	4.14	-38.09
CC1=CN(C(C)(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612811	0	41	-1.0	-46.74	313.25	5.02	-41.72
CC1=CN(C(C)(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612811	1	41	-1.0	-46.77	313.31	5.04	-41.73
CC1=C(C)NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004612813	0	35	-1.0	-42.48	287.81	2.79	-39.69
CC1=C(C)NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004612813	1	35	-1.0	-42.47	287.87	2.80	-39.67
CC1=NN=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612814	0	36	-1.0	-49.13	303.94	-1.16	-50.29
CC1=NN=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612814	1	36	-1.0	-49.15	303.99	-1.14	-50.29
CC(CN(C)C(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004612815	0	34	-1.0	-43.61	290.55	-0.18	-43.79
CC(CN(C)C(=O)C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004612815	1	34	-1.0	-43.63	290.61	-0.17	-43.80
CC(CN(C)C(=O)C1=CC=CN2N=NN=C12)C1=NN=N[N-]1	REAL250004612816	0	33	-1.0	-60.56	288.11	2.48	-58.08
CC(CN(C)C(=O)C1=CC=CN2N=NN=C12)C1=N[N-]N=N1	REAL250004612816	1	33	-1.0	-60.60	288.05	2.46	-58.14
CC(CN(C)C(=O)C1=CC(F)=CNC1=O)C1=N[N-]N=N1	REAL250004612817	0	32	-1.0	-52.83	280.82	1.21	-51.62
CC(CN(C)C(=O)C1=CC(F)=CNC1=O)C1=NN=N[N-]1	REAL250004612817	1	32	-1.0	-52.82	280.87	1.23	-51.59
C#CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612818	0	34	-1.0	-43.67	290.54	5.26	-38.41
C#CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612818	1	34	-1.0	-43.67	290.60	5.28	-38.39
CC(CN(C)C(=O)C1(C#N)CCOC1)C1=N[N-]N=N1	REAL250004612819	0	34	-1.0	-43.23	276.38	1.08	-42.15
CC(CN(C)C(=O)C1(C#N)CCOC1)C1=NN=N[N-]1	REAL250004612819	1	34	-1.0	-43.21	276.43	1.10	-42.11
CC(CN(C)C(=O)C1=CC(C=O)=CC=C1F)C1=N[N-]N=N1	REAL250004612820	0	34	-1.0	-53.48	289.73	3.83	-49.65
CC(CN(C)C(=O)C1=CC(C=O)=CC=C1F)C1=NN=N[N-]1	REAL250004612820	1	34	-1.0	-53.46	289.78	3.84	-49.62
CC(CN(C)C(=O)CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004612821	0	37	-1.0	-51.83	313.66	4.83	-47.00
CC(CN(C)C(=O)CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004612821	1	37	-1.0	-51.81	313.72	4.85	-46.96
CC(CN(C)C(=O)C(C)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004612822	0	36	-1.0	-50.92	291.04	1.55	-49.37
CC(CN(C)C(=O)C(C)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004612822	1	36	-1.0	-50.92	291.10	1.56	-49.36
CC(CN(C)C(=O)C1=C(F)C=NC=C1F)C1=NN=N[N-]1	REAL250004612823	0	31	-1.0	-46.64	277.44	2.62	-44.02
CC(CN(C)C(=O)C1=C(F)C=NC=C1F)C1=N[N-]N=N1	REAL250004612823	1	31	-1.0	-46.64	277.38	2.60	-44.04
CC(CN(C)C(=O)C1=CC=C(F)C(C=O)=C1)C1=N[N-]N=N1	REAL250004612824	0	34	-1.0	-52.06	292.66	3.83	-48.23
CC(CN(C)C(=O)C1=CC=C(F)C(C=O)=C1)C1=NN=N[N-]1	REAL250004612824	1	34	-1.0	-52.10	292.72	3.84	-48.26
CC(CN(C)C(=O)C1=CSN=C1Cl)C1=NN=N[N-]1	REAL250004612825	0	28	-1.0	-48.97	261.09	2.19	-46.78
CC(CN(C)C(=O)C1=CSN=C1Cl)C1=N[N-]N=N1	REAL250004612825	1	28	-1.0	-49.00	261.03	2.18	-46.82
CC(CN(C)C(=O)CCOC1COC1)C1=N[N-]N=N1	REAL250004612826	0	37	-1.0	-45.92	303.72	0.73	-45.19
CC(CN(C)C(=O)CCOC1COC1)C1=NN=N[N-]1	REAL250004612826	1	37	-1.0	-45.93	303.78	0.75	-45.18
CC(CN(C)C(=O)C1=CSC=C1Cl)C1=N[N-]N=N1	REAL250004612827	0	29	-1.0	-34.74	262.17	3.14	-31.60
CC(CN(C)C(=O)C1=CSC=C1Cl)C1=NN=N[N-]1	REAL250004612827	1	29	-1.0	-34.75	262.23	3.17	-31.58
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL250004612828	0	43	-1.0	-49.35	335.55	4.32	-45.03
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL250004612828	1	43	-1.0	-49.33	335.60	4.34	-44.99
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004612829	0	46	-1.0	-45.75	331.78	5.49	-40.26
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004612829	1	46	-1.0	-45.77	331.84	5.51	-40.26
CCC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612830	0	38	-1.0	-41.37	303.29	5.35	-36.02
CCC1=CC=C(F)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612830	1	38	-1.0	-41.42	303.35	5.37	-36.05
COCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CS1	REAL250004612831	0	36	-1.0	-48.95	307.51	2.84	-46.11
COCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CS1	REAL250004612831	1	36	-1.0	-48.95	307.56	2.85	-46.10
CC(CN(C)C(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL250004612832	0	39	-1.0	-50.20	315.79	5.77	-44.43
CC(CN(C)C(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL250004612832	1	39	-1.0	-50.23	315.85	5.78	-44.45
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612833	0	42	-1.0	-47.93	338.94	7.09	-40.84
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612833	1	42	-1.0	-47.93	339.00	7.10	-40.83
CC(CN(C)C(=O)C1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004612834	0	32	-1.0	-44.39	282.14	3.60	-40.79
CC(CN(C)C(=O)C1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004612834	1	32	-1.0	-44.40	282.20	3.62	-40.78
CC(CN(C)C(=O)C1=C(C(F)F)N=CO1)C1=N[N-]N=N1	REAL250004612835	0	31	-1.0	-44.73	270.39	0.10	-44.63
CC(CN(C)C(=O)C1=C(C(F)F)N=CO1)C1=NN=N[N-]1	REAL250004612835	1	31	-1.0	-44.79	270.44	0.12	-44.67
CC(CN(C)C(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL250004612836	0	38	-1.0	-52.72	324.41	2.86	-49.86
CC(CN(C)C(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL250004612836	1	38	-1.0	-52.73	324.46	2.87	-49.86
CC(CN(C)C(=O)C1=CC(=O)NC=N1)C1=N[N-]N=N1	REAL250004612837	0	31	-1.0	-51.40	264.64	1.87	-49.53
CC(CN(C)C(=O)C1=CC(=O)NC=N1)C1=NN=N[N-]1	REAL250004612837	1	31	-1.0	-51.38	264.70	1.88	-49.50
CC(CN(C)C(=O)CN1CCOC1=O)C1=N[N-]N=N1	REAL250004612838	0	34	-1.0	-58.17	285.69	1.85	-56.32
CC(CN(C)C(=O)CN1CCOC1=O)C1=NN=N[N-]1	REAL250004612838	1	34	-1.0	-58.17	285.75	1.86	-56.31
CC(CN(C)C(=O)CCCN1C=NC=N1)C1=NN=N[N-]1	REAL250004612839	0	37	-1.0	-58.00	309.12	5.34	-52.66
CC(CN(C)C(=O)CCCN1C=NC=N1)C1=N[N-]N=N1	REAL250004612839	1	37	-1.0	-57.98	309.06	5.33	-52.65
CC1=C(C=O)C(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004612840	0	38	-1.0	-49.97	314.90	2.80	-47.17
CC1=C(C=O)C(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004612840	1	38	-1.0	-49.97	314.95	2.81	-47.16
CC(CN(C)C(=O)CN1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004612841	0	38	-1.0	-51.18	298.16	-1.90	-53.08
CC(CN(C)C(=O)CN1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004612841	1	38	-1.0	-51.17	298.22	-1.89	-53.06
CCCC=CC(O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612842	0	39	-1.0	-45.77	314.45	2.74	-43.03
CCCC=CC(O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612842	1	39	-1.0	-45.79	314.50	2.76	-43.03
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(Cl)=NN1	REAL250004612844	0	32	-1.0	-44.45	288.40	1.74	-42.71
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(Cl)=NN1	REAL250004612844	1	32	-1.0	-44.47	288.45	1.75	-42.72
CC1=NC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004612845	0	34	-1.0	-52.76	287.83	0.70	-52.06
CC1=NC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004612845	1	34	-1.0	-52.78	287.89	0.72	-52.06
CC(CN(C)C(=O)CC1=CON=C1)C1=NN=N[N-]1	REAL250004612846	0	31	-1.0	-50.74	265.47	2.52	-48.22
CC(CN(C)C(=O)CC1=CON=C1)C1=N[N-]N=N1	REAL250004612846	1	31	-1.0	-50.78	265.41	2.51	-48.27
CC1=NC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612847	0	35	-1.0	-47.55	306.70	3.58	-43.97
CC1=NC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612847	1	35	-1.0	-47.56	306.76	3.60	-43.96
CC(CN(C)C(=O)C1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL250004612848	0	34	-1.0	-52.83	293.20	3.03	-49.80
CC(CN(C)C(=O)C1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL250004612848	1	34	-1.0	-52.81	293.14	3.02	-49.79
CC(CN(C)C(=O)C1=CC=C(C=O)S1)C1=N[N-]N=N1	REAL250004612849	0	31	-1.0	-44.91	277.39	2.79	-42.12
CC(CN(C)C(=O)C1=CC=C(C=O)S1)C1=NN=N[N-]1	REAL250004612849	1	31	-1.0	-44.94	277.45	2.81	-42.13
CC(CN(C)C(=O)C1=NC=CN=C1Cl)C1=NN=N[N-]1	REAL250004612851	0	30	-1.0	-45.85	267.64	1.91	-43.94
CC(CN(C)C(=O)C1=NC=CN=C1Cl)C1=N[N-]N=N1	REAL250004612851	1	30	-1.0	-45.87	267.58	1.90	-43.97
CC(CN(C)C(=O)C1=NC2=CC=NN2C=C1)C1=NN=N[N-]1	REAL250004612852	0	34	-1.0	-42.26	286.82	4.01	-38.25
CC(CN(C)C(=O)C1=NC2=CC=NN2C=C1)C1=N[N-]N=N1	REAL250004612852	1	34	-1.0	-42.29	286.76	4.00	-38.29
CC(CN(C)C(=O)C1=CN(C)C(=O)N1C)C1=N[N-]N=N1	REAL250004612853	0	36	-1.0	-45.74	303.54	3.00	-42.74
CC(CN(C)C(=O)C1=CN(C)C(=O)N1C)C1=NN=N[N-]1	REAL250004612853	1	36	-1.0	-45.74	303.59	3.01	-42.73
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1C	REAL250004612854	0	35	-1.0	-43.88	280.64	3.00	-40.88
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1C	REAL250004612854	1	35	-1.0	-43.88	280.70	3.02	-40.86
CC(CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C1=N[N-]N=N1	REAL250004612855	0	33	-1.0	-60.03	277.93	-0.54	-60.57
CC(CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C1=NN=N[N-]1	REAL250004612855	1	33	-1.0	-60.05	277.99	-0.52	-60.57
CC(CN(C)C(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004612857	0	38	-1.0	-52.78	322.66	5.33	-47.45
CC(CN(C)C(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004612857	1	38	-1.0	-52.80	322.72	5.35	-47.45
CC(CN(C)C(=O)C1=CN2CCOCC2=N1)C1=N[N-]N=N1	REAL250004612861	0	37	-1.0	-48.50	301.39	2.79	-45.71
CC(CN(C)C(=O)C1=CN2CCOCC2=N1)C1=NN=N[N-]1	REAL250004612861	1	37	-1.0	-48.48	301.45	2.81	-45.67
CC(CN(C)C(=O)C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL250004612862	0	35	-1.0	-51.37	299.38	3.09	-48.28
CC(CN(C)C(=O)C1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL250004612862	1	35	-1.0	-51.40	299.43	3.10	-48.30
CCOC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004612863	0	41	-1.0	-49.96	316.65	4.25	-45.71
CCOC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004612863	1	41	-1.0	-49.96	316.71	4.26	-45.70
CC(=O)N[C@@H](C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004612864	0	41	-1.0	-44.19	317.94	1.96	-42.23
CC(=O)N[C@@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004612864	1	41	-1.0	-44.20	318.00	1.97	-42.23
CC(C)[C@H](NC=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612865	0	38	-1.0	-44.61	294.38	0.86	-43.75
CC(C)[C@H](NC=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612865	1	38	-1.0	-44.62	294.43	0.87	-43.75
CC(=O)N1CCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612866	0	39	-1.0	-60.51	307.41	3.99	-56.52
CC(=O)N1CCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612866	1	39	-1.0	-60.51	307.46	4.00	-56.51
CC(CN(C)C(=O)CCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004612867	0	38	-1.0	-45.98	307.80	2.41	-43.57
CC(CN(C)C(=O)CCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004612867	1	38	-1.0	-46.01	307.85	2.42	-43.59
CC1=CC=CC(O)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612868	0	36	-1.0	-44.22	299.50	1.99	-42.23
CC1=CC=CC(O)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612868	1	36	-1.0	-44.22	299.56	2.00	-42.22
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=N[N-]N=N1	REAL250004612869	0	36	-1.0	-46.66	302.80	4.67	-41.99
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=NN=N[N-]1	REAL250004612869	1	36	-1.0	-46.62	302.86	4.68	-41.94
CC(CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004612870	0	37	-1.0	-66.18	301.71	0.22	-65.96
CC(CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004612870	1	37	-1.0	-66.18	301.78	0.24	-65.94
CC(CN(C)C(=O)C1=CN(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004612871	0	36	-1.0	-45.38	297.89	5.63	-39.75
CC(CN(C)C(=O)C1=CN(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004612871	1	36	-1.0	-45.38	297.84	5.62	-39.76
CCC(NC(C)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612872	0	38	-1.0	-44.79	297.46	0.93	-43.86
CCC(NC(C)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612872	1	38	-1.0	-44.80	297.52	0.95	-43.85
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1F	REAL250004612873	0	35	-1.0	-49.10	297.82	4.84	-44.26
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1F	REAL250004612873	1	35	-1.0	-49.10	297.88	4.86	-44.24
CC(CN(C)C(=O)[C@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004612874	0	32	-1.0	-51.15	264.63	3.16	-47.99
CC(CN(C)C(=O)[C@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004612874	1	32	-1.0	-51.15	264.69	3.18	-47.97
CC(=O)N[C@H](CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612875	0	44	-1.0	-56.67	338.00	3.76	-52.91
CC(=O)N[C@H](CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612875	1	44	-1.0	-56.63	338.05	3.77	-52.86
CNC1=NC(C)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612876	0	39	-1.0	-43.58	313.38	3.09	-40.49
CNC1=NC(C)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612876	1	39	-1.0	-43.55	313.43	3.10	-40.45
CC(CN(C)C(=O)C1(C#N)CC2(CC2)C1)C1=N[N-]N=N1	REAL250004612877	0	37	-1.0	-43.23	305.45	4.56	-38.67
CC(CN(C)C(=O)C1(C#N)CC2(CC2)C1)C1=NN=N[N-]1	REAL250004612877	1	37	-1.0	-43.22	305.51	4.58	-38.64
CC1=CN2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004612878	0	38	-1.0	-48.33	315.08	6.16	-42.17
CC1=CN2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004612878	1	38	-1.0	-48.33	315.02	6.14	-42.19
CC(CN(C)C(=O)C1COC(=O)N1C)C1=N[N-]N=N1	REAL250004612879	0	34	-1.0	-54.42	278.81	1.21	-53.21
CC(CN(C)C(=O)C1COC(=O)N1C)C1=NN=N[N-]1	REAL250004612879	1	34	-1.0	-54.46	278.87	1.23	-53.23
CC(CN(C)C(=O)C1=NC=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004612880	0	35	-1.0	-46.38	290.52	5.52	-40.86
CC(CN(C)C(=O)C1=NC=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004612880	1	35	-1.0	-46.36	290.46	5.50	-40.86
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(Cl)=NN1	REAL250004612881	0	35	-1.0	-44.01	304.54	2.29	-41.72
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(Cl)=NN1	REAL250004612881	1	35	-1.0	-44.00	304.59	2.31	-41.69
CC(C)C1=NOC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612882	0	37	-1.0	-44.14	299.55	3.54	-40.60
CC(C)C1=NOC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612882	1	37	-1.0	-44.14	299.61	3.55	-40.59
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612883	0	35	-1.0	-45.81	291.94	4.41	-41.40
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612883	1	35	-1.0	-45.77	292.00	4.43	-41.34
CC(CN(C)C(=O)C1=CC=CC2=C1C(=O)CC2)C1=N[N-]N=N1	REAL250004612884	0	38	-1.0	-61.60	310.14	6.25	-55.35
CC(CN(C)C(=O)C1=CC=CC2=C1C(=O)CC2)C1=NN=N[N-]1	REAL250004612884	1	38	-1.0	-61.60	310.20	6.26	-55.34
CC(CN(C)C(=O)C12CC1CCCC2)C1=N[N-]N=N1	REAL250004612885	0	39	-1.0	-42.53	295.65	4.77	-37.76
CC(CN(C)C(=O)C12CC1CCCC2)C1=NN=N[N-]1	REAL250004612885	1	39	-1.0	-42.48	295.71	4.78	-37.70
CC(CN(C)C(=O)C1(C(F)F)CCC1)C1=N[N-]N=N1	REAL250004612887	0	35	-1.0	-46.06	277.06	3.66	-42.40
CC(CN(C)C(=O)C1(C(F)F)CCC1)C1=NN=N[N-]1	REAL250004612887	1	35	-1.0	-46.11	277.12	3.67	-42.44
CC(CN(C)C(=O)C(C)(C)C1CCCCO1)C1=N[N-]N=N1	REAL250004612888	0	45	-1.0	-46.36	326.46	4.62	-41.74
CC(CN(C)C(=O)C(C)(C)C1CCCCO1)C1=NN=N[N-]1	REAL250004612888	1	45	-1.0	-46.32	326.52	4.64	-41.68
CC(CN(C)C(=O)[C@]12CCC[C@H]1OCC2)C1=N[N-]N=N1	REAL250004612889	0	40	-1.0	-48.58	299.79	2.84	-45.74
CC(CN(C)C(=O)[C@]12CCC[C@H]1OCC2)C1=NN=N[N-]1	REAL250004612889	1	40	-1.0	-48.57	299.85	2.85	-45.72
CC(CN(C)C(=O)C1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004612890	0	38	-1.0	-47.35	314.70	4.69	-42.66
CC(CN(C)C(=O)C1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004612890	1	38	-1.0	-47.33	314.64	4.68	-42.65
CC(CN(C)C(=O)C1C(C)OC(C)C1C)C1=N[N-]N=N1	REAL250004612891	0	42	-1.0	-43.18	316.02	3.19	-39.99
CC(CN(C)C(=O)C1C(C)OC(C)C1C)C1=NN=N[N-]1	REAL250004612891	1	42	-1.0	-43.14	316.08	3.21	-39.93
CC(CN(C)C(=O)CN1CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004612892	0	37	-1.0	-55.68	313.20	2.02	-53.66
CC(CN(C)C(=O)CN1CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004612892	1	37	-1.0	-55.73	313.26	2.03	-53.70
CCOC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612893	0	38	-1.0	-50.91	288.37	3.10	-47.81
CCOC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612893	1	38	-1.0	-50.93	288.43	3.12	-47.81
CC(CN(C)C(=O)C1=COC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004612894	0	32	-1.0	-46.39	278.80	3.21	-43.18
CC(CN(C)C(=O)C1=COC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004612894	1	32	-1.0	-46.42	278.86	3.23	-43.19
CC(CN(C)C(=O)C1CC(C2CC2)C1)C1=N[N-]N=N1	REAL250004612895	0	39	-1.0	-47.38	310.02	5.57	-41.81
CC(CN(C)C(=O)C1CC(C2CC2)C1)C1=NN=N[N-]1	REAL250004612895	1	39	-1.0	-47.41	310.08	5.58	-41.83
CSCCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612896	0	44	-1.0	-47.43	361.13	6.47	-40.96
CSCCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612896	1	44	-1.0	-47.40	361.19	6.48	-40.92
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=N[N-]N=N1	REAL250004612897	0	36	-1.0	-43.20	308.49	5.37	-37.83
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=NN=N[N-]1	REAL250004612897	1	36	-1.0	-43.21	308.54	5.38	-37.83
CC(CN(C)C(=O)CC1C(=O)N=CNC1=O)C1=N[N-]N=N1	REAL250004612898	0	35	-1.0	-59.07	292.34	1.07	-58.00
CC(CN(C)C(=O)CC1C(=O)N=CNC1=O)C1=NN=N[N-]1	REAL250004612898	1	35	-1.0	-59.10	292.39	1.09	-58.01
CC(=C(F)C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004612899	0	36	-1.0	-41.42	297.53	4.95	-36.47
CC(=C(F)C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004612899	1	36	-1.0	-41.43	297.58	4.97	-36.46
CC(CN(C)C(=O)[C@@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004612900	0	33	-1.0	-54.47	271.02	-0.12	-54.59
CC(CN(C)C(=O)[C@@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004612900	1	33	-1.0	-54.51	271.07	-0.10	-54.61
CC(CN(C)C(=O)C1(F)CCOCC1)C1=N[N-]N=N1	REAL250004612902	0	36	-1.0	-41.07	280.61	1.94	-39.13
CC(CN(C)C(=O)C1(F)CCOCC1)C1=NN=N[N-]1	REAL250004612902	1	36	-1.0	-41.07	280.67	1.95	-39.12
CC(CN(C)C(=O)C1C(C)C1C1CC1)C1=N[N-]N=N1	REAL250004612903	0	39	-1.0	-45.34	307.46	5.73	-39.61
CC(CN(C)C(=O)C1C(C)C1C1CC1)C1=NN=N[N-]1	REAL250004612903	1	39	-1.0	-45.35	307.52	5.74	-39.61
CC(CN(C)C(=O)C1CCCC12CC2)C1=N[N-]N=N1	REAL250004612904	0	39	-1.0	-43.39	293.01	4.96	-38.43
CC(CN(C)C(=O)C1CCCC12CC2)C1=NN=N[N-]1	REAL250004612904	1	39	-1.0	-43.41	293.07	4.98	-38.43
CC(CN(C)C(=O)C1(C)CC2CCC1C2)C1=N[N-]N=N1	REAL250004612905	0	42	-1.0	-43.88	302.45	4.92	-38.96
CC(CN(C)C(=O)C1(C)CC2CCC1C2)C1=NN=N[N-]1	REAL250004612905	1	42	-1.0	-43.90	302.51	4.93	-38.97
COC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004612906	0	38	-1.0	-45.93	306.54	2.16	-43.77
COC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004612906	1	38	-1.0	-45.90	306.60	2.18	-43.72
CCC(C#N)(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612907	0	38	-1.0	-43.84	292.99	3.29	-40.55
CCC(C#N)(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612907	1	38	-1.0	-43.83	293.04	3.31	-40.52
COCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004612908	0	39	-1.0	-47.52	321.90	1.72	-45.80
COCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004612908	1	39	-1.0	-47.53	321.84	1.71	-45.82
CC(=O)N1CCC[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612909	0	39	-1.0	-57.71	308.47	2.69	-55.02
CC(=O)N1CCC[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612909	1	39	-1.0	-57.71	308.53	2.71	-55.00
CC(CN(C)C(=O)CC1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004612910	0	42	-1.0	-44.59	333.56	6.88	-37.71
CC(CN(C)C(=O)CC1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004612910	1	42	-1.0	-44.55	333.62	6.89	-37.66
COC1=CC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612911	0	35	-1.0	-48.17	287.29	3.79	-44.38
COC1=CC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612911	1	35	-1.0	-48.15	287.23	3.77	-44.38
CC(CN(C)C(=O)C1CC(C)OC1C)C1=N[N-]N=N1	REAL250004612912	0	39	-1.0	-43.06	303.12	2.83	-40.23
CC(CN(C)C(=O)C1CC(C)OC1C)C1=NN=N[N-]1	REAL250004612912	1	39	-1.0	-43.08	303.18	2.85	-40.23
CC(CN(C)C(=O)C1CC2CC1C1CC12)C1=N[N-]N=N1	REAL250004612913	0	40	-1.0	-48.54	288.97	5.14	-43.40
CC(CN(C)C(=O)C1CC2CC1C1CC12)C1=NN=N[N-]1	REAL250004612913	1	40	-1.0	-48.55	289.03	5.15	-43.40
CCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004612914	0	38	-1.0	-50.39	308.96	3.27	-47.12
CCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004612914	1	38	-1.0	-50.37	309.01	3.29	-47.08
CC(CN(C)C(=O)CC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL250004612915	0	35	-1.0	-51.91	306.30	3.64	-48.27
CC(CN(C)C(=O)CC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL250004612915	1	35	-1.0	-51.91	306.25	3.63	-48.28
CC(CN(C)C(=O)C1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004612916	0	37	-1.0	-48.38	305.21	4.45	-43.93
CC(CN(C)C(=O)C1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004612916	1	37	-1.0	-48.39	305.15	4.44	-43.95
CC(CN(C)C(=O)C1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004612917	0	34	-1.0	-46.41	293.11	3.09	-43.32
CC(CN(C)C(=O)C1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004612917	1	34	-1.0	-46.47	293.06	3.07	-43.40
CC(CN(C)C(=O)C1=C2N=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004612918	0	34	-1.0	-57.57	287.83	5.46	-52.11
CC(CN(C)C(=O)C1=C2N=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004612918	1	34	-1.0	-57.55	287.78	5.45	-52.10
CC(CN(C)C(=O)C(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004612919	0	39	-1.0	-49.06	322.23	5.75	-43.31
CC(CN(C)C(=O)C(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004612919	1	39	-1.0	-49.10	322.29	5.77	-43.33
CCOC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCOC1	REAL250004612920	0	43	-1.0	-44.98	324.87	2.48	-42.50
CCOC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCOC1	REAL250004612920	1	43	-1.0	-45.05	324.93	2.49	-42.56
CC(CN(C)C(=O)C(C)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004612921	0	46	-1.0	-47.23	322.52	5.15	-42.08
CC(CN(C)C(=O)C(C)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004612921	1	46	-1.0	-47.27	322.58	5.16	-42.11
CC(CN(C)C(=O)C=CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004612922	0	42	-1.0	-47.36	345.66	7.29	-40.07
CC(CN(C)C(=O)C=CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004612922	1	42	-1.0	-47.38	345.72	7.30	-40.08
CC(CN(C)C(=O)C1=C(CC#N)C=CS1)C1=N[N-]N=N1	REAL250004612923	0	33	-1.0	-46.89	290.31	4.07	-42.82
CC(CN(C)C(=O)C1=C(CC#N)C=CS1)C1=NN=N[N-]1	REAL250004612923	1	33	-1.0	-46.89	290.36	4.09	-42.80
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCNC1=O	REAL250004612924	0	39	-1.0	-60.38	297.18	1.48	-58.90
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCNC1=O	REAL250004612924	1	39	-1.0	-60.41	297.24	1.50	-58.91
COC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL250004612925	0	35	-1.0	-49.46	294.41	2.71	-46.75
COC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL250004612925	1	35	-1.0	-49.47	294.35	2.69	-46.78
CC1=NN(CC(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004612926	0	41	-1.0	-45.32	330.21	4.22	-41.10
CC1=NN(CC(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004612926	1	41	-1.0	-45.32	330.27	4.23	-41.09
CC1=CN=C(F)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612927	0	34	-1.0	-53.46	283.97	2.88	-50.58
CC1=CN=C(F)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612927	1	34	-1.0	-53.45	283.91	2.86	-50.59
CC1=CC(F)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612928	0	34	-1.0	-43.18	285.30	2.78	-40.40
CC1=CC(F)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612928	1	34	-1.0	-43.18	285.36	2.80	-40.38
COC1=NSC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612929	0	32	-1.0	-51.43	278.28	0.83	-50.60
COC1=NSC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612929	1	32	-1.0	-51.42	278.22	0.82	-50.60
CC(CN(C)C(=O)C=CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004612930	0	37	-1.0	-49.75	310.54	2.76	-46.99
CC(CN(C)C(=O)C=CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004612930	1	37	-1.0	-49.78	310.59	2.77	-47.01
CCOC1CC2(CC2C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612931	0	43	-1.0	-47.93	343.41	4.76	-43.17
CCOC1CC2(CC2C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612931	1	43	-1.0	-47.93	343.47	4.77	-43.16
CC(CN(C)C(=O)C1=COC(C#N)=C1)C1=N[N-]N=N1	REAL250004612932	0	30	-1.0	-42.41	264.50	2.58	-39.83
CC(CN(C)C(=O)C1=COC(C#N)=C1)C1=NN=N[N-]1	REAL250004612932	1	30	-1.0	-42.41	264.55	2.60	-39.81
CC(CN(C)C(=O)C1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004612933	0	32	-1.0	-48.25	280.05	1.98	-46.27
CC(CN(C)C(=O)C1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004612933	1	32	-1.0	-48.23	279.99	1.97	-46.26
CCCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612934	0	38	-1.0	-42.32	317.60	5.31	-37.01
CCCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612934	1	38	-1.0	-42.35	317.66	5.32	-37.03
CCOCCCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612935	0	44	-1.0	-49.20	350.43	4.49	-44.71
CCOCCCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612935	1	44	-1.0	-49.15	350.49	4.50	-44.65
CC(CN(C)C(=O)C1=NC=C2CCCCN21)C1=NN=N[N-]1	REAL250004612936	0	39	-1.0	-42.96	306.36	5.10	-37.86
CC(CN(C)C(=O)C1=NC=C2CCCCN21)C1=N[N-]N=N1	REAL250004612936	1	39	-1.0	-42.96	306.31	5.08	-37.88
CC(CN(C)C(=O)C1=NC=CC=C1N)C1=NN=N[N-]1	REAL250004612937	0	33	-1.0	-47.15	279.14	0.32	-46.83
CC(CN(C)C(=O)C1=NC=CC=C1N)C1=N[N-]N=N1	REAL250004612937	1	33	-1.0	-47.11	279.08	0.30	-46.81
CC(CN(C)C(=O)C1(C#N)CCCOC1)C1=N[N-]N=N1	REAL250004612938	0	37	-1.0	-40.83	291.81	1.77	-39.06
CC(CN(C)C(=O)C1(C#N)CCCOC1)C1=NN=N[N-]1	REAL250004612938	1	37	-1.0	-40.86	291.87	1.78	-39.08
CC1=CON=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612939	0	31	-1.0	-42.91	260.81	2.66	-40.25
CC1=CON=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612939	1	31	-1.0	-42.91	260.75	2.65	-40.26
CC(CN(C)C(=O)C1CCC12CCOCC2)C1=N[N-]N=N1	REAL250004612940	0	43	-1.0	-43.66	312.55	3.51	-40.15
CC(CN(C)C(=O)C1CCC12CCOCC2)C1=NN=N[N-]1	REAL250004612940	1	43	-1.0	-43.65	312.61	3.53	-40.12
CC(CN(C)C(=O)C1=CN2C=CN=C2N=C1)C1=NN=N[N-]1	REAL250004612941	0	34	-1.0	-45.75	282.58	5.10	-40.65
CC(CN(C)C(=O)C1=CN2C=CN=C2N=C1)C1=N[N-]N=N1	REAL250004612941	1	34	-1.0	-45.77	282.52	5.09	-40.68
CCOC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCCC1	REAL250004612942	0	45	-1.0	-49.77	340.92	5.57	-44.20
CCOC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCCC1	REAL250004612942	1	45	-1.0	-49.79	340.98	5.58	-44.21
CC(CN(C)C(=O)C1CC1C1CC1C)C1=N[N-]N=N1	REAL250004612943	0	39	-1.0	-43.19	308.99	5.57	-37.62
CC(CN(C)C(=O)C1CC1C1CC1C)C1=NN=N[N-]1	REAL250004612943	1	39	-1.0	-43.24	309.05	5.59	-37.65
CC(CN(C)C(=O)C1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL250004612944	0	36	-1.0	-53.12	302.97	5.06	-48.06
CC(CN(C)C(=O)C1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL250004612944	1	36	-1.0	-53.15	303.03	5.07	-48.08
CCN1N=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004612945	0	38	-1.0	-44.18	307.38	3.14	-41.04
CCN1N=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004612945	1	38	-1.0	-44.20	307.44	3.15	-41.05
CC(CN(C)C(=O)C1CCCCN1C)C1=NN=N[N-]1	REAL250004612947	1	40	-1.0	-43.02	301.12	2.06	-40.96
CC(CN(C)C(=O)C1(Cl)CC2CCC1O2)C1=N[N-]N=N1	REAL250004612948	0	37	-1.0	-46.71	293.71	2.59	-44.12
CC(CN(C)C(=O)C1(Cl)CC2CCC1O2)C1=NN=N[N-]1	REAL250004612948	1	37	-1.0	-46.69	293.76	2.61	-44.08
CC(CN(C)C(=O)C1CC2(CSC2)C1)C1=N[N-]N=N1	REAL250004612949	0	37	-1.0	-48.59	305.72	4.83	-43.76
CC(CN(C)C(=O)C1CC2(CSC2)C1)C1=NN=N[N-]1	REAL250004612949	1	37	-1.0	-48.63	305.77	4.85	-43.78
CC(CN(C)C(=O)C1=CN(CC2CC2)N=C1)C1=NN=N[N-]1	REAL250004612950	0	39	-1.0	-44.44	318.15	4.23	-40.21
CC(CN(C)C(=O)C1=CN(CC2CC2)N=C1)C1=N[N-]N=N1	REAL250004612950	1	39	-1.0	-44.43	318.09	4.21	-40.22
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NO1	REAL250004612951	0	37	-1.0	-40.75	298.75	3.73	-37.02
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NO1	REAL250004612951	1	37	-1.0	-40.75	298.81	3.75	-37.00
CC(CN(C)C(=O)C1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL250004612952	0	33	-1.0	-53.84	280.62	3.93	-49.91
CC(CN(C)C(=O)C1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL250004612952	1	33	-1.0	-53.82	280.68	3.95	-49.87
CC(CN(C)C(=O)CCCC1(C)N=N1)C1=N[N-]N=N1	REAL250004612953	0	37	-1.0	-53.41	305.57	-0.45	-53.86
CC(CN(C)C(=O)CCCC1(C)N=N1)C1=NN=N[N-]1	REAL250004612953	1	37	-1.0	-53.44	305.63	-0.44	-53.88
C=CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004612954	0	39	-1.0	-47.54	315.12	5.93	-41.61
C=CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004612954	1	39	-1.0	-47.56	315.18	5.94	-41.62
CC(CN(C)C(=O)C1CCCN2N=CN=C12)C1=N[N-]N=N1	REAL250004612955	0	38	-1.0	-50.28	304.65	4.23	-46.05
CC(CN(C)C(=O)C1CCCN2N=CN=C12)C1=NN=N[N-]1	REAL250004612955	1	38	-1.0	-50.27	304.70	4.24	-46.03
CC(CN(C)C(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004612956	0	36	-1.0	-45.99	298.44	2.17	-43.82
CC(CN(C)C(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004612956	1	36	-1.0	-46.00	298.50	2.19	-43.81
CC(CN(C)C(=O)C1=CC=CN2N=CN=C12)C1=NN=N[N-]1	REAL250004612957	0	34	-1.0	-56.64	293.36	4.79	-51.85
CC(CN(C)C(=O)C1=CC=CN2N=CN=C12)C1=N[N-]N=N1	REAL250004612957	1	34	-1.0	-56.64	293.31	4.78	-51.86
CC(CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=N[N-]N=N1	REAL250004612958	0	40	-1.0	-51.52	302.55	4.08	-47.44
CC(CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=NN=N[N-]1	REAL250004612958	1	40	-1.0	-51.58	302.61	4.09	-47.49
CSC1=NC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612959	0	34	-1.0	-45.25	293.43	2.72	-42.53
CSC1=NC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612959	1	34	-1.0	-45.18	293.37	2.71	-42.47
CC(CN(C)C(=O)C1=CNC=C1C1CC1)C1=N[N-]N=N1	REAL250004612960	0	37	-1.0	-49.41	301.21	4.09	-45.32
CC(CN(C)C(=O)C1=CNC=C1C1CC1)C1=NN=N[N-]1	REAL250004612960	1	37	-1.0	-49.41	301.27	4.11	-45.30
CNC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004612961	0	36	-1.0	-44.82	294.34	2.14	-42.68
CNC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004612961	1	36	-1.0	-44.86	294.28	2.13	-42.73
CC(CN(C)C(=O)CC1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004612962	0	39	-1.0	-56.06	309.56	4.04	-52.02
CC(CN(C)C(=O)CC1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004612962	1	39	-1.0	-56.08	309.62	4.05	-52.03
CCC1CCCC1(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612963	0	44	-1.0	-43.98	316.03	5.17	-38.81
CCC1CCCC1(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612963	1	44	-1.0	-43.94	316.09	5.19	-38.75
CC(CN(C)C(=O)C1=C(C2CC2)SC=N1)C1=NN=N[N-]1	REAL250004612964	0	35	-1.0	-43.83	297.02	4.34	-39.49
CC(CN(C)C(=O)C1=C(C2CC2)SC=N1)C1=N[N-]N=N1	REAL250004612964	1	35	-1.0	-43.83	296.97	4.32	-39.51
CC1=CC(C)=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004612965	0	38	-1.0	-48.21	320.93	5.58	-42.63
CC1=CC(C)=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004612965	1	38	-1.0	-48.22	320.98	5.60	-42.62
CC(CN(C)C(=O)CC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004612966	0	34	-1.0	-52.99	290.28	3.59	-49.40
CC(CN(C)C(=O)CC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004612966	1	34	-1.0	-53.02	290.34	3.60	-49.42
CC1=CN=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004612967	0	34	-1.0	-50.41	292.38	3.35	-47.06
CC1=CN=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004612967	1	34	-1.0	-50.39	292.32	3.33	-47.06
CC(CN(C)C(=O)C=CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004612968	0	36	-1.0	-51.71	305.02	5.65	-46.06
CC(CN(C)C(=O)C=CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004612968	1	36	-1.0	-51.68	305.08	5.67	-46.01
CC(CN(C)C(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004612969	0	36	-1.0	-47.25	305.91	5.68	-41.57
CC(CN(C)C(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004612969	1	36	-1.0	-47.25	305.97	5.70	-41.55
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1N)C1=N[N-]N=N1	REAL250004612970	0	34	-1.0	-40.31	292.64	2.74	-37.57
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1N)C1=NN=N[N-]1	REAL250004612970	1	34	-1.0	-40.30	292.70	2.76	-37.54
CC(CN(C)C(=O)C1=CC=C(F)C=C1N)C1=N[N-]N=N1	REAL250004612971	0	34	-1.0	-40.53	282.31	2.29	-38.24
CC(CN(C)C(=O)C1=CC=C(F)C=C1N)C1=NN=N[N-]1	REAL250004612971	1	34	-1.0	-40.51	282.37	2.31	-38.20
CC(CN(C)C(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL250004612972	0	34	-1.0	-42.48	291.69	1.84	-40.64
CC(CN(C)C(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL250004612972	1	34	-1.0	-42.49	291.75	1.86	-40.63
CC(CN(C)C(=O)C1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL250004612973	0	34	-1.0	-50.21	292.49	1.95	-48.26
CC(CN(C)C(=O)C1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL250004612973	1	34	-1.0	-50.23	292.55	1.96	-48.27
CC(CN(C)C(=O)C1=CC=CN2N=CC=C12)C1=NN=N[N-]1	REAL250004612974	0	35	-1.0	-50.45	299.26	4.12	-46.33
CC(CN(C)C(=O)C1=CC=CN2N=CC=C12)C1=N[N-]N=N1	REAL250004612974	1	35	-1.0	-50.39	299.20	4.11	-46.28
CC(CN(C)C(=O)CCNC(=O)CO)C1=N[N-]N=N1	REAL250004612975	0	36	-1.0	-62.54	301.98	-1.66	-64.20
CC(CN(C)C(=O)CCNC(=O)CO)C1=NN=N[N-]1	REAL250004612975	1	36	-1.0	-62.60	302.04	-1.65	-64.25
CC(CN(C)C(=O)CNC(=O)N1CCCC1)C1=N[N-]N=N1	REAL250004612976	0	41	-1.0	-46.58	328.80	1.76	-44.82
CC(CN(C)C(=O)CNC(=O)N1CCCC1)C1=NN=N[N-]1	REAL250004612976	1	41	-1.0	-46.59	328.85	1.77	-44.82
CC(CN(C)C(=O)CC1CCNC1=O)C1=N[N-]N=N1	REAL250004612977	0	36	-1.0	-56.40	289.18	1.67	-54.73
CC(CN(C)C(=O)CC1CCNC1=O)C1=NN=N[N-]1	REAL250004612977	1	36	-1.0	-56.35	289.23	1.68	-54.67
CC(CN(C)C(=O)C1=CN=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004612978	0	35	-1.0	-48.88	289.85	2.17	-46.71
CC(CN(C)C(=O)C1=CN=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004612978	1	35	-1.0	-48.86	289.91	2.19	-46.67
COC1=CNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL250004612979	0	36	-1.0	-52.06	304.76	1.92	-50.14
COC1=CNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL250004612979	1	36	-1.0	-52.01	304.82	1.93	-50.08
CC(CN(C)C(=O)C1=C(F)C=CN=C1Cl)C1=NN=N[N-]1	REAL250004612980	0	31	-1.0	-45.75	283.33	2.76	-42.99
CC(CN(C)C(=O)C1=C(F)C=CN=C1Cl)C1=N[N-]N=N1	REAL250004612980	1	31	-1.0	-45.75	283.27	2.75	-43.00
CC(CN(C)C(=O)C(C)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004612981	0	39	-1.0	-49.09	314.01	2.59	-46.50
CC(CN(C)C(=O)C(C)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004612981	1	39	-1.0	-49.06	314.06	2.61	-46.45
CCNC1=CC=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612982	0	39	-1.0	-47.50	320.70	2.08	-45.42
CCNC1=CC=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612982	1	39	-1.0	-47.53	320.65	2.06	-45.47
CC(CN(C)C(=O)CC1=NN=C(N)S1)C1=N[N-]N=N1	REAL250004612983	0	32	-1.0	-49.93	285.61	0.36	-49.57
CC(CN(C)C(=O)CC1=NN=C(N)S1)C1=NN=N[N-]1	REAL250004612983	1	32	-1.0	-49.93	285.67	0.37	-49.56
CC(CN(C)C(=O)C1=CC=NC(N)=C1)C1=NN=N[N-]1	REAL250004612984	0	33	-1.0	-46.68	274.12	1.05	-45.63
CC(CN(C)C(=O)C1=CC=NC(N)=C1)C1=N[N-]N=N1	REAL250004612984	1	33	-1.0	-46.70	274.07	1.04	-45.66
CCCC(CC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612985	0	40	-1.0	-47.25	300.27	4.39	-42.86
CCCC(CC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612985	1	40	-1.0	-47.30	300.33	4.40	-42.90
CC(CN(C)C(=O)C1C2(CC2)C12CC2)C1=N[N-]N=N1	REAL250004612986	0	37	-1.0	-47.21	305.78	5.81	-41.40
CC(CN(C)C(=O)C1C2(CC2)C12CC2)C1=NN=N[N-]1	REAL250004612986	1	37	-1.0	-47.22	305.84	5.82	-41.40
CCOC(=O)C(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004612987	0	43	-1.0	-49.58	339.38	4.85	-44.73
CCOC(=O)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004612987	1	43	-1.0	-49.63	339.43	4.85	-44.78
CC(CN(C)C(=O)CC1CCC(C)(C)CO1)C1=N[N-]N=N1	REAL250004612988	0	45	-1.0	-45.65	341.08	5.07	-40.58
CC(CN(C)C(=O)CC1CCC(C)(C)CO1)C1=NN=N[N-]1	REAL250004612988	1	45	-1.0	-45.62	341.14	5.08	-40.54
CC(CN(C)C(=O)CC(C)(C)CC(F)F)C1=N[N-]N=N1	REAL250004612989	0	40	-1.0	-46.86	308.17	4.74	-42.12
CC(CN(C)C(=O)CC(C)(C)CC(F)F)C1=NN=N[N-]1	REAL250004612989	1	40	-1.0	-46.91	308.23	4.76	-42.15
CC(CN(C)C(=O)C1CCC=CCC1)C1=N[N-]N=N1	REAL250004612990	0	39	-1.0	-46.71	294.87	4.86	-41.85
CC(CN(C)C(=O)C1CCC=CCC1)C1=NN=N[N-]1	REAL250004612990	1	39	-1.0	-46.68	294.93	4.88	-41.80
CCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004612991	0	39	-1.0	-45.87	308.91	5.11	-40.76
CCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004612991	1	39	-1.0	-45.86	308.97	5.12	-40.74
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C2=CNN=C2C=C1	REAL250004612992	0	38	-1.0	-44.28	314.76	3.44	-40.84
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C2=CNN=C2C=C1	REAL250004612992	1	38	-1.0	-44.28	314.81	3.45	-40.83
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612993	0	42	-1.0	-53.87	324.33	3.82	-50.05
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612993	1	42	-1.0	-53.87	324.39	3.83	-50.04
CC(CN(C)C(=O)C1(C)CC(F)(F)C1)C1=N[N-]N=N1	REAL250004612994	0	35	-1.0	-51.26	280.36	3.64	-47.62
CC(CN(C)C(=O)C1(C)CC(F)(F)C1)C1=NN=N[N-]1	REAL250004612994	1	35	-1.0	-51.28	280.42	3.65	-47.63
CC(C)OC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004612995	0	42	-1.0	-40.51	316.17	4.35	-36.16
CC(C)OC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004612995	1	42	-1.0	-40.48	316.23	4.37	-36.11
CC(CN(C)C(=O)[C@]1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL250004612996	0	36	-1.0	-48.54	281.58	0.57	-47.97
CC(CN(C)C(=O)[C@]1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL250004612996	1	36	-1.0	-48.59	281.63	0.59	-48.00
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612997	0	38	-1.0	-54.42	304.84	4.64	-49.78
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612997	1	38	-1.0	-54.41	304.90	4.65	-49.76
CC(CN(C)C(=O)C=CC1=CSC=C1)C1=N[N-]N=N1	REAL250004612998	0	33	-1.0	-47.33	289.56	4.58	-42.75
CC(CN(C)C(=O)C=CC1=CSC=C1)C1=NN=N[N-]1	REAL250004612998	1	33	-1.0	-47.34	289.62	4.59	-42.75
CC(CN(C)C(=O)CC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004612999	0	34	-1.0	-52.39	300.63	4.00	-48.39
CC(CN(C)C(=O)CC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004612999	1	34	-1.0	-52.44	300.68	4.02	-48.42
CCC1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613000	0	38	-1.0	-42.11	303.89	3.20	-38.91
CCC1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613000	1	38	-1.0	-42.11	303.95	3.22	-38.89
CC(CN(C)C(=O)C1=COC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004613001	0	40	-1.0	-43.91	325.98	2.63	-41.28
CC(CN(C)C(=O)C1=COC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004613001	1	40	-1.0	-43.88	325.92	2.61	-41.27
CC(CN(C)C(=O)C1=CC(N)=CC=N1)C1=N[N-]N=N1	REAL250004613002	0	33	-1.0	-44.19	274.84	1.20	-42.99
CC(CN(C)C(=O)C1=CC(N)=CC=N1)C1=NN=N[N-]1	REAL250004613002	1	33	-1.0	-44.19	274.90	1.22	-42.97
CC(CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004613003	0	39	-1.0	-43.47	314.69	5.94	-37.53
CC(CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004613003	1	39	-1.0	-43.47	314.75	5.96	-37.51
C=CC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613004	0	38	-1.0	-44.74	292.26	4.41	-40.33
C=CC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613004	1	38	-1.0	-44.76	292.32	4.42	-40.34
CC(CN(C)C(=O)CCC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004613005	0	45	-1.0	-46.93	348.81	4.34	-42.59
CC(CN(C)C(=O)CCC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004613005	1	45	-1.0	-46.95	348.87	4.36	-42.59
CC(CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL250004613006	0	45	-1.0	-46.34	345.89	6.26	-40.08
CC(CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL250004613006	1	45	-1.0	-46.31	345.95	6.27	-40.04
CC(CN(C)C(=O)C1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL250004613007	0	39	-1.0	-45.98	310.34	5.14	-40.84
CC(CN(C)C(=O)C1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL250004613007	1	39	-1.0	-45.96	310.40	5.16	-40.80
CC(CN(C)C(=O)COC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004613008	0	35	-1.0	-50.42	296.89	2.49	-47.93
CC(CN(C)C(=O)COC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004613008	1	35	-1.0	-50.40	296.83	2.47	-47.93
CC(CN(C)C(=O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL250004613009	0	37	-1.0	-53.55	301.38	3.95	-49.60
CC(CN(C)C(=O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL250004613009	1	37	-1.0	-53.59	301.43	3.97	-49.62
CC(CN(C)C(=O)C1=CC(=O)C=CN1)C1=N[N-]N=N1	REAL250004613010	0	32	-1.0	-51.17	275.46	1.78	-49.39
CC(CN(C)C(=O)C1=CC(=O)C=CN1)C1=NN=N[N-]1	REAL250004613010	1	32	-1.0	-51.23	275.52	1.79	-49.44
CC(CN(C)C(=O)C1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004613011	0	31	-1.0	-40.11	279.87	2.73	-37.38
CC(CN(C)C(=O)C1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004613011	1	31	-1.0	-40.08	279.81	2.72	-37.36
CC(CN(C)C(=O)C1=CC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL250004613012	0	39	-1.0	-41.98	312.60	3.95	-38.03
CC(CN(C)C(=O)C1=CC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL250004613012	1	39	-1.0	-41.95	312.65	3.97	-37.98
CC(CN(C)C(=O)C1=CSN=C1)C1=NN=N[N-]1	REAL250004613013	0	28	-1.0	-42.86	248.74	1.79	-41.07
CC(CN(C)C(=O)C1=CSN=C1)C1=N[N-]N=N1	REAL250004613013	1	28	-1.0	-42.86	248.68	1.77	-41.09
CC1=CN(C)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613014	0	36	-1.0	-52.09	293.10	4.39	-47.70
CC1=CN(C)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613014	1	36	-1.0	-52.09	293.16	4.41	-47.68
COC1=NC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613015	0	34	-1.0	-43.87	287.62	0.30	-43.57
COC1=NC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613015	1	34	-1.0	-43.83	287.56	0.28	-43.55
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613016	0	39	-1.0	-42.91	325.05	5.54	-37.37
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613016	1	39	-1.0	-42.97	325.10	5.56	-37.41
CC(CN(C)C(=O)C1=CN(C2CCC2)N=C1)C1=NN=N[N-]1	REAL250004613017	0	39	-1.0	-47.38	312.01	3.79	-43.59
CC(CN(C)C(=O)C1=CN(C2CCC2)N=C1)C1=N[N-]N=N1	REAL250004613017	1	39	-1.0	-47.37	311.95	3.77	-43.60
CC(CN(C)C(=O)C1=CC=C(F)O1)C1=N[N-]N=N1	REAL250004613018	0	29	-1.0	-41.30	253.96	2.65	-38.65
CC(CN(C)C(=O)C1=CC=C(F)O1)C1=NN=N[N-]1	REAL250004613018	1	29	-1.0	-41.31	254.01	2.66	-38.65
CC(CN(C)C(=O)C1=CC=NN1C1CCC1)C1=NN=N[N-]1	REAL250004613019	0	39	-1.0	-45.86	307.36	4.15	-41.71
CC(CN(C)C(=O)C1=CC=NN1C1CCC1)C1=N[N-]N=N1	REAL250004613019	1	39	-1.0	-45.87	307.30	4.13	-41.74
CC(CN(C)C(=O)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004613020	0	33	-1.0	-42.17	289.50	3.98	-38.19
CC(CN(C)C(=O)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004613020	1	33	-1.0	-42.14	289.56	4.00	-38.14
CC(CN(C)C(=O)C1(C#N)CC2CCC1C2)C1=N[N-]N=N1	REAL250004613021	0	40	-1.0	-41.96	304.08	4.50	-37.46
CC(CN(C)C(=O)C1(C#N)CC2CCC1C2)C1=NN=N[N-]1	REAL250004613021	1	40	-1.0	-42.01	304.13	4.52	-37.49
CC(CN(C)C(=O)C1CC(C)CO1)C1=N[N-]N=N1	REAL250004613022	0	36	-1.0	-46.49	283.75	3.08	-43.41
CC(CN(C)C(=O)C1CC(C)CO1)C1=NN=N[N-]1	REAL250004613022	1	36	-1.0	-46.47	283.81	3.09	-43.38
CC(CN(C)C(=O)C1CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004613023	0	40	-1.0	-51.85	280.78	4.90	-46.95
CC(CN(C)C(=O)C1CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004613023	1	40	-1.0	-51.84	280.84	4.92	-46.92
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004613024	0	40	-1.0	-46.57	311.63	3.73	-42.84
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004613024	1	40	-1.0	-46.53	311.68	3.75	-42.78
CC(CN(C)C(=O)CCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004613025	0	39	-1.0	-47.39	322.85	3.07	-44.32
CC(CN(C)C(=O)CCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004613025	1	39	-1.0	-47.43	322.91	3.08	-44.35
CC(CN(C)C(=O)C1=CC=CC(O)=C1F)C1=N[N-]N=N1	REAL250004613026	0	33	-1.0	-50.22	282.10	1.28	-48.94
CC(CN(C)C(=O)C1=CC=CC(O)=C1F)C1=NN=N[N-]1	REAL250004613026	1	33	-1.0	-50.23	282.16	1.30	-48.93
CC1=CC(O)=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613027	0	39	-1.0	-48.68	318.21	2.74	-45.94
CC1=CC(O)=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613027	1	39	-1.0	-48.66	318.26	2.76	-45.90
CC(CN(C)C(=O)C1CCC(Cl)CC1)C1=N[N-]N=N1	REAL250004613028	0	38	-1.0	-49.83	298.81	4.76	-45.07
CC(CN(C)C(=O)C1CCC(Cl)CC1)C1=NN=N[N-]1	REAL250004613028	1	38	-1.0	-49.82	298.87	4.78	-45.04
CC(CN(C)C(=O)C=C[C@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004613029	0	41	-1.0	-45.01	332.90	3.09	-41.92
CC(CN(C)C(=O)C=C[C@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004613029	1	41	-1.0	-45.03	332.96	3.11	-41.92
CC(CN(C)C(=O)C1=CS(=O)CCC1)C1=N[N-]N=N1	REAL250004613030	0	35	-1.0	-58.73	295.81	1.48	-57.25
CC(CN(C)C(=O)C1=CS(=O)CCC1)C1=NN=N[N-]1	REAL250004613030	1	35	-1.0	-58.73	295.87	1.50	-57.23
CC(CN(C)C(=O)C1CCCC(=O)N1C)C1=N[N-]N=N1	REAL250004613031	0	39	-1.0	-48.76	303.09	2.50	-46.26
CC(CN(C)C(=O)C1CCCC(=O)N1C)C1=NN=N[N-]1	REAL250004613031	1	39	-1.0	-48.74	303.15	2.52	-46.22
CCN1CCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613032	0	37	-1.0	-45.75	293.36	0.89	-44.86
CCN1CCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613032	1	37	-1.0	-45.71	293.42	0.91	-44.80
CC(CN(C)C(=O)COC1=NSC=C1)C1=NN=N[N-]1	REAL250004613033	0	32	-1.0	-48.69	286.67	1.52	-47.17
CC(CN(C)C(=O)COC1=NSC=C1)C1=N[N-]N=N1	REAL250004613033	1	32	-1.0	-48.72	286.61	1.50	-47.22
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004613034	0	34	-1.0	-43.97	286.01	3.58	-40.39
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004613034	1	34	-1.0	-43.98	286.07	3.59	-40.39
CC(C)CN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613035	0	41	-1.0	-45.73	331.43	4.90	-40.83
CC(C)CN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613035	1	41	-1.0	-45.74	331.37	4.88	-40.86
CC(CN(C)C(=O)CC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004613036	0	42	-1.0	-46.46	326.68	3.91	-42.55
CC(CN(C)C(=O)CC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004613036	1	42	-1.0	-46.41	326.73	3.93	-42.48
CC(CN(C)C(=O)C1=CC=NC(CO)=C1)C1=N[N-]N=N1	REAL250004613038	0	35	-1.0	-50.33	289.67	-0.27	-50.60
CC(CN(C)C(=O)C1=CC=NC(CO)=C1)C1=NN=N[N-]1	REAL250004613038	1	35	-1.0	-50.32	289.72	-0.25	-50.57
CC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1O	REAL250004613039	0	35	-1.0	-49.42	289.62	2.54	-46.88
CC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1O	REAL250004613039	1	35	-1.0	-49.37	289.68	2.56	-46.81
CC(CN(C)C(=O)C1=CC=C(CN(C)C)O1)C1=N[N-]N=N1	REAL250004613040	0	40	-1.0	-41.62	325.19	2.27	-39.35
CC(CN(C)C(=O)C1=CC=C(CN(C)C)O1)C1=NN=N[N-]1	REAL250004613040	1	40	-1.0	-41.59	325.24	2.28	-39.31
CC(CN(C)C(=O)CCCCCO)C1=N[N-]N=N1	REAL250004613044	0	38	-1.0	-50.31	306.33	1.13	-49.18
CC(CN(C)C(=O)CCCCCO)C1=NN=N[N-]1	REAL250004613044	1	38	-1.0	-50.30	306.39	1.14	-49.16
CCCCC(O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613045	0	44	-1.0	-45.68	347.48	2.75	-42.93
CCCCC(O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613045	1	44	-1.0	-45.69	347.53	2.77	-42.92
CC(CN(C)C(=O)CC1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004613046	0	43	-1.0	-48.15	334.19	5.08	-43.07
CC(CN(C)C(=O)CC1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004613046	1	43	-1.0	-48.20	334.25	5.09	-43.11
C=C1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613047	0	39	-1.0	-46.49	301.19	4.89	-41.60
C=C1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613047	1	39	-1.0	-46.47	301.25	4.91	-41.56
CC(CN(C)C(=O)C1CCOC2(CCC2)C1)C1=N[N-]N=N1	REAL250004613048	0	43	-1.0	-43.72	323.26	3.90	-39.82
CC(CN(C)C(=O)C1CCOC2(CCC2)C1)C1=NN=N[N-]1	REAL250004613048	1	43	-1.0	-43.74	323.31	3.91	-39.83
CC(CN(C)C(=O)C1CCC=CCCC1)C1=N[N-]N=N1	REAL250004613049	0	42	-1.0	-41.69	306.17	5.34	-36.35
CC(CN(C)C(=O)C1CCC=CCCC1)C1=NN=N[N-]1	REAL250004613049	1	42	-1.0	-41.65	306.23	5.35	-36.30
CC(CN(C)C(=O)C1=C2CCCC2=NN1C)C1=N[N-]N=N1	REAL250004613050	0	39	-1.0	-46.23	317.87	3.92	-42.31
CC(CN(C)C(=O)C1=C2CCCC2=NN1C)C1=NN=N[N-]1	REAL250004613050	1	39	-1.0	-46.29	317.93	3.94	-42.35
CC(CN(C)C(=O)C1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL250004613051	0	36	-1.0	-42.80	293.75	3.51	-39.29
CC(CN(C)C(=O)C1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL250004613051	1	36	-1.0	-42.81	293.70	3.49	-39.32
CC1=CN=C(F)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613052	0	34	-1.0	-40.95	280.96	2.74	-38.21
CC1=CN=C(F)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613052	1	34	-1.0	-40.88	280.91	2.72	-38.16
CC(CN(C)C(=O)C(C)C1CCCO1)C1=N[N-]N=N1	REAL250004613053	0	39	-1.0	-47.28	297.45	3.53	-43.75
CC(CN(C)C(=O)C(C)C1CCCO1)C1=NN=N[N-]1	REAL250004613053	1	39	-1.0	-47.27	297.51	3.54	-43.73
CC(CN(C)C(=O)C1CC2(C1)CC(F)(F)C2)C1=N[N-]N=N1	REAL250004613054	0	39	-1.0	-48.87	317.85	5.38	-43.49
CC(CN(C)C(=O)C1CC2(C1)CC(F)(F)C2)C1=NN=N[N-]1	REAL250004613054	1	39	-1.0	-48.83	317.91	5.39	-43.44
CC(CN(C)C(=O)CN1N=NC(N)=N1)C1=NN=N[N-]1	REAL250004613055	0	32	-1.0	-54.76	277.11	0.79	-53.97
CC(CN(C)C(=O)CN1N=NC(N)=N1)C1=N[N-]N=N1	REAL250004613055	1	32	-1.0	-54.73	277.05	0.78	-53.95
CC1=NC(C)=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004613056	0	37	-1.0	-49.97	316.69	3.61	-46.36
CC1=NC(C)=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004613056	1	37	-1.0	-49.96	316.74	3.62	-46.34
CC(CN(C)C(=O)COCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004613057	0	38	-1.0	-51.84	317.66	3.83	-48.01
CC(CN(C)C(=O)COCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004613057	1	38	-1.0	-51.85	317.72	3.84	-48.01
CC(CN(C)C(=O)C1=CC=NS1)C1=NN=N[N-]1	REAL250004613058	0	28	-1.0	-41.33	248.19	1.65	-39.68
CC(CN(C)C(=O)C1=CC=NS1)C1=N[N-]N=N1	REAL250004613058	1	28	-1.0	-41.35	248.13	1.64	-39.71
CCN1C=C(Cl)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613059	0	36	-1.0	-41.41	303.23	4.96	-36.45
CCN1C=C(Cl)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613059	1	36	-1.0	-41.38	303.29	4.97	-36.41
CC(CN(C)C(=O)C1(C2CC2)CCC1)C1=N[N-]N=N1	REAL250004613060	0	39	-1.0	-48.13	297.58	5.23	-42.90
CC(CN(C)C(=O)C1(C2CC2)CCC1)C1=NN=N[N-]1	REAL250004613060	1	39	-1.0	-48.10	297.65	5.24	-42.86
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCSC1	REAL250004613061	0	37	-1.0	-42.80	291.35	2.69	-40.11
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCSC1	REAL250004613061	1	37	-1.0	-42.74	291.40	2.70	-40.04
CC(CN(C)C(=O)C1=CC=CN=C1C(F)F)C1=N[N-]N=N1	REAL250004613062	0	34	-1.0	-53.06	288.43	3.14	-49.92
CC(CN(C)C(=O)C1=CC=CN=C1C(F)F)C1=NN=N[N-]1	REAL250004613062	1	34	-1.0	-53.04	288.48	3.15	-49.89
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613063	0	41	-1.0	-55.54	329.41	4.83	-50.71
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613063	1	41	-1.0	-55.51	329.47	4.84	-50.67
CC(CN(C)C(=O)C1(C2CCCCC2)CC1)C1=N[N-]N=N1	REAL250004613064	0	45	-1.0	-43.62	329.72	5.97	-37.65
CC(CN(C)C(=O)C1(C2CCCCC2)CC1)C1=NN=N[N-]1	REAL250004613064	1	45	-1.0	-43.65	329.77	5.98	-37.67
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613065	0	35	-1.0	-50.24	293.67	3.76	-46.48
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613065	1	35	-1.0	-50.26	293.73	3.77	-46.49
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613066	0	40	-1.0	-46.32	313.00	3.33	-42.99
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613066	1	40	-1.0	-46.38	313.05	3.34	-43.04
CC(CN(C)C(=O)CC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004613067	0	31	-1.0	-54.69	274.60	3.34	-51.35
CC(CN(C)C(=O)CC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004613067	1	31	-1.0	-54.65	274.66	3.35	-51.30
CC(CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=N[N-]N=N1	REAL250004613068	0	39	-1.0	-59.72	307.45	0.46	-59.26
CC(CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=NN=N[N-]1	REAL250004613068	1	39	-1.0	-59.68	307.50	0.48	-59.20
CC(CN(C)C(=O)[C@@H]1CC=CC[C@H]1C)C1=N[N-]N=N1	REAL250004613069	0	39	-1.0	-46.01	300.94	4.98	-41.03
CC(CN(C)C(=O)[C@@H]1CC=CC[C@H]1C)C1=NN=N[N-]1	REAL250004613069	1	39	-1.0	-45.99	300.99	5.00	-40.99
C#CCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613070	0	31	-1.0	-51.19	280.71	3.99	-47.20
C#CCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613070	1	31	-1.0	-51.17	280.77	4.00	-47.17
CC(CN(C)C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004613071	0	42	-1.0	-45.46	338.52	7.25	-38.21
CC(CN(C)C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004613071	1	42	-1.0	-45.55	338.58	7.27	-38.28
CC(=O)C1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613072	0	36	-1.0	-45.61	301.77	2.74	-42.87
CC(=O)C1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613072	1	36	-1.0	-45.63	301.83	2.75	-42.88
CC(CN(C)C(=O)C1=C(C#N)SC=C1)C1=N[N-]N=N1	REAL250004613073	0	30	-1.0	-55.76	274.51	3.50	-52.26
CC(CN(C)C(=O)C1=C(C#N)SC=C1)C1=NN=N[N-]1	REAL250004613073	1	30	-1.0	-55.73	274.57	3.51	-52.22
CC(CN(C)C(=O)C1C2CCC(=O)C21)C1=N[N-]N=N1	REAL250004613074	0	35	-1.0	-44.04	276.82	3.42	-40.62
CC(CN(C)C(=O)C1C2CCC(=O)C21)C1=NN=N[N-]1	REAL250004613074	1	35	-1.0	-44.04	276.88	3.43	-40.61
CC1=NOC(C)(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613075	0	36	-1.0	-45.81	288.45	2.28	-43.53
CC1=NOC(C)(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613075	1	36	-1.0	-45.78	288.50	2.30	-43.48
CC1=NNC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC=C12	REAL250004613076	0	38	-1.0	-53.40	309.23	3.38	-50.02
CC1=NNC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC=C12	REAL250004613076	1	38	-1.0	-53.38	309.28	3.39	-49.99
CC(CN(C)C(=O)CN(C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004613077	1	44	-1.0	-48.05	335.05	0.04	-48.01
CC(CN(C)C(=O)CC1=NN=C(C2CC2)N1)C1=N[N-]N=N1	REAL250004613078	0	38	-1.0	-56.31	315.80	3.89	-52.42
CC(CN(C)C(=O)CC1=NN=C(C2CC2)N1)C1=NN=N[N-]1	REAL250004613078	1	38	-1.0	-56.31	315.85	3.90	-52.41
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004613079	0	39	-1.0	-42.94	323.10	5.42	-37.52
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004613079	1	39	-1.0	-42.92	323.15	5.43	-37.49
CCOC1C(C)C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613080	0	39	-1.0	-46.93	308.80	3.68	-43.25
CCOC1C(C)C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613080	1	39	-1.0	-46.92	308.86	3.70	-43.22
CCCCCC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613081	0	44	-1.0	-44.56	353.87	2.89	-41.67
CCCCCC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613081	1	44	-1.0	-44.55	353.93	2.91	-41.64
CC(CN(C)C(=O)CCN1C=NN=N1)C1=NN=N[N-]1	REAL250004613082	0	33	-1.0	-48.09	281.41	2.29	-45.80
CC(CN(C)C(=O)CCN1C=NN=N1)C1=N[N-]N=N1	REAL250004613082	1	33	-1.0	-48.09	281.35	2.28	-45.81
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004613083	0	40	-1.0	-43.43	321.31	3.96	-39.47
CC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004613083	1	40	-1.0	-43.43	321.37	3.98	-39.45
CC(CN(C)C(=O)CN1N=CC=C1N)C1=NN=N[N-]1	REAL250004613084	0	34	-1.0	-52.76	285.87	1.26	-51.50
CC(CN(C)C(=O)CN1N=CC=C1N)C1=N[N-]N=N1	REAL250004613084	1	34	-1.0	-52.74	285.82	1.25	-51.49
CC(CN(C)C(=O)CC1(O)CCOCC1)C1=N[N-]N=N1	REAL250004613085	0	40	-1.0	-46.40	308.04	0.85	-45.55
CC(CN(C)C(=O)CC1(O)CCOCC1)C1=NN=N[N-]1	REAL250004613085	1	40	-1.0	-46.42	308.10	0.86	-45.56
CC(CN(C)C(=O)C1=CC=C2NC=CC2=N1)C1=N[N-]N=N1	REAL250004613086	0	35	-1.0	-46.99	290.68	3.30	-43.69
CC(CN(C)C(=O)C1=CC=C2NC=CC2=N1)C1=NN=N[N-]1	REAL250004613086	1	35	-1.0	-47.02	290.74	3.32	-43.70
CC(CN(C)C(=O)C=CC1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004613087	0	36	-1.0	-51.00	304.01	5.06	-45.94
CC(CN(C)C(=O)C=CC1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004613087	1	36	-1.0	-51.00	304.06	5.07	-45.93
CC(CN(C)C(=O)CC1CC=CCC1)C1=N[N-]N=N1	REAL250004613088	0	39	-1.0	-47.31	302.38	5.30	-42.01
CC(CN(C)C(=O)CC1CC=CCC1)C1=NN=N[N-]1	REAL250004613088	1	39	-1.0	-47.33	302.44	5.32	-42.01
CC(CN(C)C(=O)CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL250004613089	0	37	-1.0	-50.38	312.20	0.18	-50.20
CC(CN(C)C(=O)CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL250004613089	1	37	-1.0	-50.39	312.26	0.20	-50.19
CC(CN(C)C(=O)CN1CCC(CO)CC1)C1=N[N-]N=N1	REAL250004613091	0	44	-1.0	-44.46	337.53	-0.22	-44.68
CC(CN(C)C(=O)CN1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004613091	1	44	-1.0	-44.45	337.59	-0.20	-44.65
CC(CN(C)C(=O)C1=NN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004613093	0	34	-1.0	-54.72	291.59	2.07	-52.65
CC(CN(C)C(=O)C1=NN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004613093	1	34	-1.0	-54.72	291.53	2.06	-52.66
CC(CN(C)C(=O)C1=CS(=O)(=O)CCC1)C1=N[N-]N=N1	REAL250004613094	0	36	-1.0	-52.92	305.21	0.40	-52.52
CC(CN(C)C(=O)C1=CS(=O)(=O)CCC1)C1=NN=N[N-]1	REAL250004613094	1	36	-1.0	-52.92	305.26	0.41	-52.51
CC(CN(C)C(=O)C1CCC2(CC1)N=N2)C1=N[N-]N=N1	REAL250004613095	0	38	-1.0	-48.57	301.62	-0.96	-49.53
CC(CN(C)C(=O)C1CCC2(CC1)N=N2)C1=NN=N[N-]1	REAL250004613095	1	38	-1.0	-48.57	301.68	-0.94	-49.51
CC(CN(C)C(=O)C1CN2CCN1CC2C)C1=N[N-]N=N1	REAL250004613096	1	43	-1.0	-43.01	311.96	-0.92	-43.93
CC(CN(C)C(=O)C1CN2CCN1CC2C)C1=NN=N[N-]1	REAL250004613096	1	43	-1.0	-43.02	312.01	-0.90	-43.92
CC(CN(C)C(=O)C1=NC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004613097	0	36	-1.0	-55.98	299.63	4.13	-51.85
CC(CN(C)C(=O)C1=NC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004613097	1	36	-1.0	-56.01	299.58	4.12	-51.89
CC1=CC=CN2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C12	REAL250004613098	0	39	-1.0	-49.54	316.72	6.34	-43.20
CC1=CC=CN2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C12	REAL250004613098	1	39	-1.0	-49.59	316.78	6.36	-43.23
CC(C)C1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCO1	REAL250004613099	0	45	-1.0	-43.73	326.47	3.85	-39.88
CC(C)C1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCO1	REAL250004613099	1	45	-1.0	-43.74	326.53	3.87	-39.87
CC(CN(C)C(=O)CC1CCCC1(F)F)C1=N[N-]N=N1	REAL250004613100	0	38	-1.0	-49.19	300.48	4.71	-44.48
CC(CN(C)C(=O)CC1CCCC1(F)F)C1=NN=N[N-]1	REAL250004613100	1	38	-1.0	-49.22	300.54	4.73	-44.49
CC(CN(C)C(=O)CC1CCC(C2CC2)O1)C1=N[N-]N=N1	REAL250004613101	0	43	-1.0	-47.69	339.09	5.36	-42.33
CC(CN(C)C(=O)CC1CCC(C2CC2)O1)C1=NN=N[N-]1	REAL250004613101	1	43	-1.0	-47.75	339.15	5.38	-42.37
COC1=CC=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613102	0	38	-1.0	-49.96	315.83	2.09	-47.87
COC1=CC=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613102	1	38	-1.0	-49.95	315.89	2.11	-47.84
CC(CN(C)C(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=N[N-]N=N1	REAL250004613103	0	42	-1.0	-46.41	306.77	5.42	-40.99
CC(CN(C)C(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=NN=N[N-]1	REAL250004613103	1	42	-1.0	-46.42	306.82	5.43	-40.99
C=C(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613104	0	38	-1.0	-47.01	305.86	4.52	-42.49
C=C(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613104	1	38	-1.0	-46.95	305.92	4.54	-42.41
CC(CN(C)C(=O)C1=CC=C(C=O)C=N1)C1=NN=N[N-]1	REAL250004613105	0	33	-1.0	-45.87	282.70	3.07	-42.80
CC(CN(C)C(=O)C1=CC=C(C=O)C=N1)C1=N[N-]N=N1	REAL250004613105	1	33	-1.0	-45.83	282.64	3.05	-42.78
CC(CN(C)C(=O)C1=CN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004613106	0	35	-1.0	-50.73	292.85	3.20	-47.53
CC(CN(C)C(=O)C1=CN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004613106	1	35	-1.0	-50.68	292.91	3.22	-47.46
CC(CN(C)C(=O)C1=CN=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004613107	0	33	-1.0	-43.16	281.14	1.90	-41.26
CC(CN(C)C(=O)C1=CN=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004613107	1	33	-1.0	-43.16	281.08	1.88	-41.28
CC(C)N1C=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613108	0	38	-1.0	-45.23	305.38	4.93	-40.30
CC(C)N1C=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613108	1	38	-1.0	-45.23	305.32	4.91	-40.32
CC1=CC=C(C#N)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613109	0	36	-1.0	-43.84	300.13	4.93	-38.91
CC1=CC=C(C#N)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613109	1	36	-1.0	-43.81	300.19	4.94	-38.87
CCCCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613110	0	41	-1.0	-43.71	318.25	5.29	-38.42
CCCCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613110	1	41	-1.0	-43.70	318.31	5.31	-38.39
CC(CN(C)C(=O)C1=C2CCCNC2=NN1)C1=N[N-]N=N1	REAL250004613111	0	38	-1.0	-42.46	306.83	1.31	-41.15
CC(CN(C)C(=O)C1=C2CCCNC2=NN1)C1=NN=N[N-]1	REAL250004613111	1	38	-1.0	-42.44	306.89	1.32	-41.12
CC(CN(C)C(=O)C1=C2C=CC=CC2=NO1)C1=NN=N[N-]1	REAL250004613112	0	34	-1.0	-41.77	287.67	4.01	-37.76
CC(CN(C)C(=O)C1=C2C=CC=CC2=NO1)C1=N[N-]N=N1	REAL250004613112	1	34	-1.0	-41.74	287.61	3.99	-37.75
CC(CN(C)C(=O)C1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004613113	0	34	-1.0	-47.62	285.61	0.98	-46.64
CC(CN(C)C(=O)C1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004613113	1	34	-1.0	-47.64	285.56	0.96	-46.68
CC1=NNC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613114	0	38	-1.0	-47.11	313.66	2.85	-44.26
CC1=NNC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613114	1	38	-1.0	-47.12	313.72	2.86	-44.26
CC(CN(C)C(=O)C1=CC2=NNC=C2N=C1)C1=N[N-]N=N1	REAL250004613115	0	34	-1.0	-48.20	281.48	0.93	-47.27
CC(CN(C)C(=O)C1=CC2=NNC=C2N=C1)C1=NN=N[N-]1	REAL250004613115	1	34	-1.0	-48.17	281.54	0.95	-47.22
CC(CN(C)C(=O)C1=CC=C(CO)N=C1)C1=N[N-]N=N1	REAL250004613116	0	35	-1.0	-43.81	289.56	-0.39	-44.20
CC(CN(C)C(=O)C1=CC=C(CO)N=C1)C1=NN=N[N-]1	REAL250004613116	1	35	-1.0	-43.85	289.62	-0.38	-44.23
CC(CN(C)C(=O)CC1CCC(C)(O)CC1)C1=N[N-]N=N1	REAL250004613117	0	45	-1.0	-49.03	334.80	2.44	-46.59
CC(CN(C)C(=O)CC1CCC(C)(O)CC1)C1=NN=N[N-]1	REAL250004613117	1	45	-1.0	-49.02	334.86	2.46	-46.56
CC(CN(C)C(=O)C1=C(Cl)C=CN=C1F)C1=NN=N[N-]1	REAL250004613118	0	31	-1.0	-45.84	286.67	2.85	-42.99
CC(CN(C)C(=O)C1=C(Cl)C=CN=C1F)C1=N[N-]N=N1	REAL250004613118	1	31	-1.0	-45.79	286.61	2.83	-42.96
CC(C)[C@H](NC(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613119	0	40	-1.0	-44.65	309.07	-1.48	-46.13
CC(C)[C@H](NC(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613119	1	40	-1.0	-44.61	309.12	-1.46	-46.07
C=C(CCC(=O)OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613120	0	38	-1.0	-47.62	322.28	4.02	-43.60
C=C(CCC(=O)OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613120	1	38	-1.0	-47.63	322.33	4.03	-43.60
CC(CN(C)C(=O)CC1C=CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004613122	0	36	-1.0	-50.64	303.88	0.53	-50.11
CC(CN(C)C(=O)CC1C=CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004613122	1	36	-1.0	-50.60	303.94	0.54	-50.06
CC(CN(C)C(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL250004613123	0	32	-1.0	-45.84	287.78	4.50	-41.34
CC(CN(C)C(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL250004613123	1	32	-1.0	-45.88	287.84	4.51	-41.37
CC(CN(C)C(=O)CCC1=NC=CN1C)C1=N[N-]N=N1	REAL250004613124	0	38	-1.0	-49.66	311.44	4.21	-45.45
CC(CN(C)C(=O)CCC1=NC=CN1C)C1=NN=N[N-]1	REAL250004613124	1	38	-1.0	-49.65	311.49	4.22	-45.43
CC(CN(C)C(=O)C1=CN(CCO)N=C1)C1=NN=N[N-]1	REAL250004613125	0	36	-1.0	-48.24	299.65	-0.68	-48.92
CC(CN(C)C(=O)C1=CN(CCO)N=C1)C1=N[N-]N=N1	REAL250004613125	1	36	-1.0	-48.27	299.59	-0.69	-48.96
CC1=COC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613126	0	31	-1.0	-45.87	264.03	-0.24	-46.11
CC1=COC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613126	1	31	-1.0	-45.90	264.08	-0.23	-46.13
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CN=C1F	REAL250004613127	0	35	-1.0	-48.79	294.42	2.22	-46.57
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CN=C1F	REAL250004613127	1	35	-1.0	-48.79	294.36	2.21	-46.58
CC1=CC(Cl)=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613128	0	34	-1.0	-41.46	297.69	4.40	-37.06
CC1=CC(Cl)=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613128	1	34	-1.0	-41.46	297.75	4.42	-37.04
CC(CN(C)C(=O)C1=CC=CC=C1C1(C)CC1)C1=N[N-]N=N1	REAL250004613129	0	42	-1.0	-43.21	333.86	6.59	-36.62
CC(CN(C)C(=O)C1=CC=CC=C1C1(C)CC1)C1=NN=N[N-]1	REAL250004613129	1	42	-1.0	-43.20	333.92	6.60	-36.60
CC(CN(C)C(=O)C(C)(C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004613130	0	46	-1.0	-48.42	316.32	4.68	-43.74
CC(CN(C)C(=O)C(C)(C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004613130	1	46	-1.0	-48.41	316.37	4.69	-43.72
CC(CN(C)C(=O)C1(C#N)CCSCC1)C1=N[N-]N=N1	REAL250004613131	0	37	-1.0	-40.47	296.66	3.54	-36.93
CC(CN(C)C(=O)C1(C#N)CCSCC1)C1=NN=N[N-]1	REAL250004613131	1	37	-1.0	-40.46	296.72	3.55	-36.91
CC(CN(C)C(=O)[C@]12C[C@H]1COC21CCC1)C1=N[N-]N=N1	REAL250004613132	0	41	-1.0	-44.92	305.69	3.58	-41.34
CC(CN(C)C(=O)[C@]12C[C@H]1COC21CCC1)C1=NN=N[N-]1	REAL250004613132	1	41	-1.0	-44.92	305.75	3.60	-41.32
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C=O)O1	REAL250004613133	0	34	-1.0	-50.04	290.69	3.36	-46.68
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C=O)O1	REAL250004613133	1	34	-1.0	-50.07	290.74	3.37	-46.70
CC(CN(C)C(=O)C1=CC2=CNC=CC2=N1)C1=N[N-]N=N1	REAL250004613134	0	35	-1.0	-61.73	292.78	3.27	-58.46
CC(CN(C)C(=O)C1=CC2=CNC=CC2=N1)C1=NN=N[N-]1	REAL250004613134	1	35	-1.0	-61.74	292.84	3.29	-58.45
C=CC(CC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613135	0	38	-1.0	-46.63	301.95	4.71	-41.92
C=CC(CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613135	1	38	-1.0	-46.61	302.01	4.73	-41.88
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004613136	0	39	-1.0	-48.89	321.07	4.08	-44.81
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004613136	1	39	-1.0	-48.85	321.13	4.10	-44.75
CC(CN(C)C(=O)C1=CC2=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004613137	0	35	-1.0	-47.03	291.33	6.59	-40.44
CC(CN(C)C(=O)C1=CC2=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004613137	1	35	-1.0	-47.00	291.28	6.58	-40.42
C=CC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCC1	REAL250004613138	0	45	-1.0	-42.51	321.67	5.73	-36.78
C=CC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCC1	REAL250004613138	1	45	-1.0	-42.50	321.73	5.74	-36.76
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613139	0	38	-1.0	-46.36	317.64	4.48	-41.88
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613139	1	38	-1.0	-46.30	317.70	4.50	-41.80
CC(CN(C)C(=O)C1=CC(Cl)=NC=C1F)C1=NN=N[N-]1	REAL250004613140	0	31	-1.0	-42.37	280.15	2.79	-39.58
CC(CN(C)C(=O)C1=CC(Cl)=NC=C1F)C1=N[N-]N=N1	REAL250004613140	1	31	-1.0	-42.39	280.10	2.78	-39.61
CC1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)OC2=CC=C1	REAL250004613141	0	38	-1.0	-42.19	315.32	5.56	-36.63
CC1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)OC2=CC=C1	REAL250004613141	1	38	-1.0	-42.19	315.38	5.58	-36.61
CC(C)N1C=CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613142	0	41	-1.0	-55.31	332.68	4.27	-51.04
CC(C)N1C=CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613142	1	41	-1.0	-55.29	332.74	4.28	-51.01
CC(CN(C)C(=O)C1=CC2=NC=CC=C2O1)C1=NN=N[N-]1	REAL250004613143	0	34	-1.0	-44.49	289.26	3.10	-41.39
CC(CN(C)C(=O)C1=CC2=NC=CC=C2O1)C1=N[N-]N=N1	REAL250004613143	1	34	-1.0	-44.52	289.20	3.09	-41.43
CC1=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)SC=N1	REAL250004613144	0	35	-1.0	-47.54	304.26	3.40	-44.14
CC1=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)SC=N1	REAL250004613144	1	35	-1.0	-47.51	304.32	3.42	-44.09
CC1=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004613145	0	37	-1.0	-47.14	308.86	4.01	-43.13
CC1=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004613145	1	37	-1.0	-47.17	308.91	4.03	-43.14
CC(CN(C)C(=O)C=CC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004613147	0	35	-1.0	-47.27	300.82	3.91	-43.36
CC(CN(C)C(=O)C=CC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004613147	1	35	-1.0	-47.29	300.87	3.92	-43.37
CCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004613148	0	34	-1.0	-43.38	285.46	1.91	-41.47
CCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004613148	1	34	-1.0	-43.39	285.40	1.89	-41.50
CC[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613149	0	39	-1.0	-46.51	304.62	2.89	-43.62
CC[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613149	1	39	-1.0	-46.51	304.67	2.90	-43.61
CC1=CC=CC=C1C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613150	0	41	-1.0	-48.10	318.70	5.88	-42.22
CC1=CC=CC=C1C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613150	1	41	-1.0	-48.12	318.75	5.90	-42.22
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004613151	0	34	-1.0	-41.57	287.17	1.60	-39.97
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004613151	1	34	-1.0	-41.60	287.11	1.59	-40.01
CC(CN(C)C(=O)[C@@H]1CSCC(=O)N1)C1=N[N-]N=N1	REAL250004613152	0	34	-1.0	-49.20	286.32	0.61	-48.59
CC(CN(C)C(=O)[C@@H]1CSCC(=O)N1)C1=NN=N[N-]1	REAL250004613152	1	34	-1.0	-49.18	286.37	0.62	-48.56
CC(CN(C)C(=O)CC(C)(C)C(F)F)C1=N[N-]N=N1	REAL250004613154	0	37	-1.0	-46.21	293.59	4.19	-42.02
CC(CN(C)C(=O)CC(C)(C)C(F)F)C1=NN=N[N-]1	REAL250004613154	1	37	-1.0	-46.21	293.64	4.21	-42.00
CC(CN(C)C(=O)[C@H]1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004613155	0	36	-1.0	-50.74	293.15	2.40	-48.34
CC(CN(C)C(=O)[C@H]1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004613155	1	36	-1.0	-50.75	293.21	2.41	-48.34
CC(CN(C)C(=O)C1CCCCC1F)C1=N[N-]N=N1	REAL250004613156	0	38	-1.0	-50.84	291.18	4.38	-46.46
CC(CN(C)C(=O)C1CCCCC1F)C1=NN=N[N-]1	REAL250004613156	1	38	-1.0	-50.86	291.24	4.39	-46.47
CC(CN(C)C(=O)C1(C)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004613157	0	44	-1.0	-43.33	311.29	4.84	-38.49
CC(CN(C)C(=O)C1(C)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004613157	1	44	-1.0	-43.33	311.35	4.85	-38.48
CC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL250004613158	0	37	-1.0	-44.71	304.91	3.81	-40.90
CC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL250004613158	1	37	-1.0	-44.75	304.85	3.79	-40.96
CC(C)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)COC1	REAL250004613159	0	39	-1.0	-45.32	292.41	1.84	-43.48
CC(C)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)COC1	REAL250004613159	1	39	-1.0	-45.32	292.47	1.86	-43.46
CC(CN(C)C(=O)C1=C2C=COC2=CC=N1)C1=NN=N[N-]1	REAL250004613160	0	34	-1.0	-46.00	285.41	3.68	-42.32
CC(CN(C)C(=O)C1=C2C=COC2=CC=N1)C1=N[N-]N=N1	REAL250004613160	1	34	-1.0	-46.01	285.35	3.66	-42.35
CC(CN(C)C(=O)C12CCOC1CCCC2)C1=N[N-]N=N1	REAL250004613161	0	43	-1.0	-46.82	309.43	3.67	-43.15
CC(CN(C)C(=O)C12CCOC1CCCC2)C1=NN=N[N-]1	REAL250004613161	1	43	-1.0	-46.81	309.48	3.69	-43.12
CC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C	REAL250004613162	0	37	-1.0	-46.90	299.12	4.54	-42.36
CC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C	REAL250004613162	1	37	-1.0	-46.90	299.18	4.55	-42.35
CC(CN(C)C(=O)C1CCC2=CNN=C21)C1=N[N-]N=N1	REAL250004613164	0	36	-1.0	-46.24	289.69	2.47	-43.77
CC(CN(C)C(=O)C1CCC2=CNN=C21)C1=NN=N[N-]1	REAL250004613164	1	36	-1.0	-46.24	289.74	2.48	-43.76
CC(CN(C)C(=O)CC1CCCOCC1)C1=N[N-]N=N1	REAL250004613165	0	42	-1.0	-43.93	312.82	3.40	-40.53
CC(CN(C)C(=O)CC1CCCOCC1)C1=NN=N[N-]1	REAL250004613165	1	42	-1.0	-43.89	312.88	3.41	-40.48
C=CCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004613166	0	36	-1.0	-47.59	301.03	3.23	-44.36
C=CCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004613166	1	36	-1.0	-47.58	300.97	3.22	-44.36
CC(CN(C)C(=O)C12CCC(C)(CC1)OC2)C1=N[N-]N=N1	REAL250004613167	0	43	-1.0	-45.46	313.92	3.33	-42.13
CC(CN(C)C(=O)C12CCC(C)(CC1)OC2)C1=NN=N[N-]1	REAL250004613167	1	43	-1.0	-45.50	313.97	3.34	-42.16
CC(CN(C)C(=O)C1(C)CCC(C)CC1)C1=N[N-]N=N1	REAL250004613168	0	44	-1.0	-47.68	314.95	5.13	-42.55
CC(CN(C)C(=O)C1(C)CCC(C)CC1)C1=NN=N[N-]1	REAL250004613168	1	44	-1.0	-47.68	315.01	5.14	-42.54
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SN=N1	REAL250004613169	0	36	-1.0	-40.22	302.71	2.50	-37.72
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SN=N1	REAL250004613169	1	36	-1.0	-40.21	302.77	2.51	-37.70
CC(C)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)COC1	REAL250004613170	0	42	-1.0	-45.86	315.17	2.60	-43.26
CC(C)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)COC1	REAL250004613170	1	42	-1.0	-45.91	315.23	2.61	-43.30
CC(CN(C)C(=O)C1CCCC2=C1NN=C2)C1=N[N-]N=N1	REAL250004613171	0	39	-1.0	-44.49	306.93	3.00	-41.49
CC(CN(C)C(=O)C1CCCC2=C1NN=C2)C1=NN=N[N-]1	REAL250004613171	1	39	-1.0	-44.51	306.99	3.02	-41.49
CC(CN(C)C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL250004613172	0	42	-1.0	-44.68	329.30	6.51	-38.17
CC(CN(C)C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL250004613172	1	42	-1.0	-44.72	329.35	6.52	-38.20
CC(CN(C)C(=O)CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004613173	0	34	-1.0	-56.54	286.22	1.66	-54.88
CC(CN(C)C(=O)CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004613173	1	34	-1.0	-56.54	286.28	1.68	-54.86
CC1=NOC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613174	0	37	-1.0	-47.09	308.88	4.07	-43.02
CC1=NOC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613174	1	37	-1.0	-47.10	308.93	4.08	-43.02
CC(CN(C)C(=O)C1=NOC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004613175	0	38	-1.0	-40.75	311.08	4.92	-35.83
CC(CN(C)C(=O)C1=NOC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004613175	1	38	-1.0	-40.77	311.14	4.93	-35.84
CC(CN(C)C(=O)CC1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004613176	0	44	-1.0	-47.42	333.36	5.76	-41.66
CC(CN(C)C(=O)CC1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004613176	1	44	-1.0	-47.40	333.41	5.78	-41.62
CC(CN(C)C(=O)C1CC2(C1)CC(C)(C)C2)C1=N[N-]N=N1	REAL250004613177	0	45	-1.0	-46.47	341.97	6.21	-40.26
CC(CN(C)C(=O)C1CC2(C1)CC(C)(C)C2)C1=NN=N[N-]1	REAL250004613177	1	45	-1.0	-46.50	342.02	6.23	-40.27
CC(CN(C)C(=O)C1=CC(F)=CC=C1N)C1=N[N-]N=N1	REAL250004613178	0	34	-1.0	-41.18	281.26	2.22	-38.96
CC(CN(C)C(=O)C1=CC(F)=CC=C1N)C1=NN=N[N-]1	REAL250004613178	1	34	-1.0	-41.17	281.32	2.24	-38.93
CC(CN(C)C(=O)CC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004613179	0	33	-1.0	-50.99	280.12	3.14	-47.85
CC(CN(C)C(=O)CC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004613179	1	33	-1.0	-50.97	280.06	3.12	-47.85
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN=N1	REAL250004613180	0	33	-1.0	-41.82	273.90	1.77	-40.05
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN=N1	REAL250004613180	1	33	-1.0	-41.81	273.95	1.79	-40.02
CC(CN(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004613181	0	47	-1.0	-42.72	341.26	5.87	-36.85
CC(CN(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004613181	1	47	-1.0	-42.72	341.31	5.89	-36.83
CC(CN(C)C(=O)C1=CN2C=CN=CC2=N1)C1=NN=N[N-]1	REAL250004613182	0	34	-1.0	-44.27	288.41	3.73	-40.54
CC(CN(C)C(=O)C1=CN2C=CN=CC2=N1)C1=N[N-]N=N1	REAL250004613182	1	34	-1.0	-44.20	288.36	3.71	-40.49
CC(CN(C)C(=O)C1=NNC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004613183	0	40	-1.0	-50.74	323.54	3.36	-47.38
CC(CN(C)C(=O)C1=NNC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004613183	1	40	-1.0	-50.71	323.60	3.37	-47.34
CC[C@H](C)[C@H](O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613184	0	38	-1.0	-42.17	288.00	1.65	-40.52
CC[C@H](C)[C@H](O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613184	1	38	-1.0	-42.18	288.06	1.67	-40.51
CC(C)CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613185	0	46	-1.0	-46.20	337.23	5.60	-40.60
CC(C)CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613185	1	46	-1.0	-46.19	337.28	5.62	-40.57
CC(CN(C)C(=O)C1C2CCC(C2)C1(C)C)C1=N[N-]N=N1	REAL250004613186	0	45	-1.0	-46.85	320.40	5.69	-41.16
CC(CN(C)C(=O)C1C2CCC(C2)C1(C)C)C1=NN=N[N-]1	REAL250004613186	1	45	-1.0	-46.89	320.45	5.71	-41.18
CC(CN(C)C(=O)C1=CC=C(F)C(O)=C1)C1=N[N-]N=N1	REAL250004613187	0	33	-1.0	-48.09	281.16	1.28	-46.81
CC(CN(C)C(=O)C1=CC=C(F)C(O)=C1)C1=NN=N[N-]1	REAL250004613187	1	33	-1.0	-48.07	281.21	1.29	-46.78
CC(CN(C)C(=O)C1=CC=C(Cl)C(O)=C1)C1=N[N-]N=N1	REAL250004613189	1	33	-1.0	-47.58	290.95	1.76	-45.82
CC(CN(C)C(=O)C1=CC=C(Cl)C(O)=C1)C1=NN=N[N-]1	REAL250004613189	1	33	-1.0	-47.58	291.01	1.78	-45.80
CC(CN(C)C(=O)C1=CC2=C(C=CN2C)N1)C1=N[N-]N=N1	REAL250004613191	0	37	-1.0	-46.01	302.03	4.17	-41.84
CC(CN(C)C(=O)C1=CC2=C(C=CN2C)N1)C1=NN=N[N-]1	REAL250004613191	1	37	-1.0	-46.00	302.08	4.18	-41.82
CC(CN(C)C(=O)[C@H](C)N1C=NN=N1)C1=NN=N[N-]1	REAL250004613193	0	33	-1.0	-55.76	272.99	1.79	-53.97
CC(CN(C)C(=O)[C@H](C)N1C=NN=N1)C1=N[N-]N=N1	REAL250004613193	1	33	-1.0	-55.75	272.93	1.77	-53.98
CNC(=O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613194	0	35	-1.0	-46.38	290.02	0.44	-45.94
CNC(=O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613194	1	35	-1.0	-46.35	290.08	0.45	-45.90
COC1=CC=CC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613195	0	39	-1.0	-46.52	317.97	4.13	-42.39
COC1=CC=CC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613195	1	39	-1.0	-46.53	318.03	4.15	-42.38
CC(CN(C)C(=O)C1(C)CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004613196	0	38	-1.0	-44.29	294.74	4.21	-40.08
CC(CN(C)C(=O)C1(C)CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004613196	1	38	-1.0	-44.31	294.80	4.23	-40.08
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC=CCC1	REAL250004613197	0	41	-1.0	-50.94	313.74	5.59	-45.35
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC=CCC1	REAL250004613197	1	41	-1.0	-50.94	313.80	5.60	-45.34
CC(CN(C)C(=O)C1(C2=CC=CS2)CC1)C1=N[N-]N=N1	REAL250004613198	0	36	-1.0	-42.21	304.65	5.11	-37.10
CC(CN(C)C(=O)C1(C2=CC=CS2)CC1)C1=NN=N[N-]1	REAL250004613198	1	36	-1.0	-42.24	304.70	5.13	-37.11
C=C(F)C1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1	REAL250004613199	0	39	-1.0	-43.08	308.31	5.15	-37.93
C=C(F)C1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1	REAL250004613199	1	39	-1.0	-43.06	308.37	5.16	-37.90
CC(CN(C)C(=O)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004613200	0	33	-1.0	-50.93	291.74	4.54	-46.39
CC(CN(C)C(=O)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004613200	1	33	-1.0	-50.92	291.80	4.56	-46.36
CC(CN(C)C(=O)C1=CC=NC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004613201	0	35	-1.0	-46.53	295.89	-0.85	-47.38
CC(CN(C)C(=O)C1=CC=NC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004613201	1	35	-1.0	-46.56	295.83	-0.86	-47.42
CC(CN(C)C(=O)C1(C2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004613202	0	43	-1.0	-46.54	323.01	3.68	-42.86
CC(CN(C)C(=O)C1(C2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004613202	1	43	-1.0	-46.51	323.07	3.70	-42.81
CC(CN(C)C(=O)CC(O)C1CCCC1)C1=N[N-]N=N1	REAL250004613203	0	42	-1.0	-50.37	321.89	3.39	-46.98
CC(CN(C)C(=O)CC(O)C1CCCC1)C1=NN=N[N-]1	REAL250004613203	1	42	-1.0	-50.39	321.94	3.40	-46.99
CC(CN(C)C(=O)C1=CC(C(N)=O)=CC=N1)C1=NN=N[N-]1	REAL250004613204	0	35	-1.0	-53.63	294.70	0.12	-53.51
CC(CN(C)C(=O)C1=CC(C(N)=O)=CC=N1)C1=N[N-]N=N1	REAL250004613204	1	35	-1.0	-53.67	294.64	0.11	-53.56
CC(CN(C)C(=O)COC1(C)CCCC1)C1=N[N-]N=N1	REAL250004613205	0	42	-1.0	-50.21	324.01	4.94	-45.27
CC(CN(C)C(=O)COC1(C)CCCC1)C1=NN=N[N-]1	REAL250004613205	1	42	-1.0	-50.24	324.07	4.95	-45.29
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004613206	0	37	-1.0	-45.63	305.94	5.62	-40.01
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004613206	1	37	-1.0	-45.62	305.88	5.60	-40.02
CC(CN(C)C(=O)CCC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004613207	0	38	-1.0	-47.63	313.35	5.15	-42.48
CC(CN(C)C(=O)CCC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004613207	1	38	-1.0	-47.61	313.41	5.16	-42.45
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1F	REAL250004613208	0	34	-1.0	-44.18	287.20	3.93	-40.25
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1F	REAL250004613208	1	34	-1.0	-44.17	287.14	3.91	-40.26
CC(CN(C)C(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=N[N-]N=N1	REAL250004613209	0	37	-1.0	-45.34	292.34	2.92	-42.42
CC(CN(C)C(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=NN=N[N-]1	REAL250004613209	1	37	-1.0	-45.28	292.39	2.93	-42.35
CC(CN(C)C(=O)CCC1CC1(C)C)C1=N[N-]N=N1	REAL250004613210	0	41	-1.0	-46.72	323.55	5.61	-41.11
CC(CN(C)C(=O)CCC1CC1(C)C)C1=NN=N[N-]1	REAL250004613210	1	41	-1.0	-46.73	323.60	5.62	-41.11
CC(CN(C)C(=O)COC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004613211	0	35	-1.0	-48.01	303.32	2.55	-45.46
CC(CN(C)C(=O)COC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004613211	1	35	-1.0	-47.99	303.26	2.53	-45.46
CC(CN(C)C(=O)CC1COCC(C)(C)O1)C1=N[N-]N=N1	REAL250004613212	0	43	-1.0	-47.52	332.63	3.34	-44.18
CC(CN(C)C(=O)CC1COCC(C)(C)O1)C1=NN=N[N-]1	REAL250004613212	1	43	-1.0	-47.51	332.68	3.35	-44.16
CC(CN(C)C(=O)C1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004613213	0	42	-1.0	-44.09	314.10	3.20	-40.89
CC(CN(C)C(=O)C1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004613213	1	42	-1.0	-44.09	314.16	3.21	-40.88
CC(CN(C)C(=O)CCCCC(F)(F)F)C1=N[N-]N=N1	REAL250004613214	0	37	-1.0	-46.77	313.04	4.84	-41.93
CC(CN(C)C(=O)CCCCC(F)(F)F)C1=NN=N[N-]1	REAL250004613214	1	37	-1.0	-46.77	313.10	4.86	-41.91
CC(CN(C)C(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=N[N-]N=N1	REAL250004613215	0	36	-1.0	-48.67	301.12	2.67	-46.00
CC(CN(C)C(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=NN=N[N-]1	REAL250004613215	1	36	-1.0	-48.66	301.18	2.69	-45.97
CC(CN(C)C(=O)C(F)(F)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004613216	0	35	-1.0	-43.55	298.09	2.53	-41.02
CC(CN(C)C(=O)C(F)(F)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004613216	1	35	-1.0	-43.52	298.03	2.51	-41.01
CC(CN(C)C(=O)C1=CC=NN1C(C)(C)C)C1=NN=N[N-]1	REAL250004613217	0	41	-1.0	-43.61	312.58	3.83	-39.78
CC(CN(C)C(=O)C1=CC=NN1C(C)(C)C)C1=N[N-]N=N1	REAL250004613217	1	41	-1.0	-43.58	312.52	3.82	-39.76
CC(CN(C)C(=O)[C@@H]1CCC[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004613218	0	42	-1.0	-47.53	318.40	5.83	-41.70
CC(CN(C)C(=O)[C@@H]1CCC[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004613218	1	42	-1.0	-47.56	318.46	5.85	-41.71
COC1CCCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613219	0	39	-1.0	-44.08	303.83	2.82	-41.26
COC1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613219	1	39	-1.0	-44.07	303.88	2.84	-41.23
CC(CN(C)C(=O)C1CC2CCCC21)C1=N[N-]N=N1	REAL250004613220	0	39	-1.0	-43.63	295.91	5.03	-38.60
CC(CN(C)C(=O)C1CC2CCCC21)C1=NN=N[N-]1	REAL250004613220	1	39	-1.0	-43.65	295.97	5.04	-38.61
COC(=O)[C@H]1C[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613221	0	38	-1.0	-55.02	311.53	4.04	-50.98
COC(=O)[C@H]1C[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613221	1	38	-1.0	-54.99	311.59	4.06	-50.93
CCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004613222	0	34	-1.0	-42.92	293.64	3.47	-39.45
CCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004613222	1	34	-1.0	-42.93	293.69	3.49	-39.44
CC(CN(C)C(=O)C1=NNC=C1C1CC1)C1=N[N-]N=N1	REAL250004613223	0	36	-1.0	-49.49	294.51	3.30	-46.19
CC(CN(C)C(=O)C1=NNC=C1C1CC1)C1=NN=N[N-]1	REAL250004613223	1	36	-1.0	-49.49	294.56	3.32	-46.17
CC(CN(C)C(=O)C1CCC2CC2CC1)C1=N[N-]N=N1	REAL250004613224	0	42	-1.0	-42.61	304.28	5.38	-37.23
CC(CN(C)C(=O)C1CCC2CC2CC1)C1=NN=N[N-]1	REAL250004613224	1	42	-1.0	-42.54	304.33	5.40	-37.14
CC(CN(C)C(=O)CC1CCC=CCC1)C1=N[N-]N=N1	REAL250004613225	0	42	-1.0	-46.35	316.37	5.81	-40.54
CC(CN(C)C(=O)CC1CCC=CCC1)C1=NN=N[N-]1	REAL250004613225	1	42	-1.0	-46.32	316.43	5.82	-40.50
CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613226	0	37	-1.0	-56.30	309.60	2.43	-53.87
CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613226	1	37	-1.0	-56.31	309.66	2.44	-53.87
CC(CN(C)C(=O)C1=CCCOCC1)C1=N[N-]N=N1	REAL250004613227	0	37	-1.0	-43.49	285.08	2.52	-40.97
CC(CN(C)C(=O)C1=CCCOCC1)C1=NN=N[N-]1	REAL250004613227	1	37	-1.0	-43.56	285.13	2.53	-41.03
CC(CN(C)C(=O)C1=CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004613228	0	42	-1.0	-46.87	312.85	5.19	-41.68
CC(CN(C)C(=O)C1=CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004613228	1	42	-1.0	-46.85	312.90	5.21	-41.64
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCO1	REAL250004613229	0	43	-1.0	-42.11	318.77	2.92	-39.19
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCO1	REAL250004613229	1	43	-1.0	-42.11	318.83	2.94	-39.17
CC(CN(C)C(=O)C=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004613230	0	35	-1.0	-47.97	294.39	3.85	-44.12
CC(CN(C)C(=O)C=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004613230	1	35	-1.0	-47.97	294.45	3.87	-44.10
CC(CN(C)C(=O)C1=CC=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004613231	0	36	-1.0	-44.70	301.07	4.92	-39.78
CC(CN(C)C(=O)C1=CC=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004613231	1	36	-1.0	-44.72	301.13	4.94	-39.78
CC(CN(C)C(=O)C1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004613232	0	35	-1.0	-44.92	297.70	3.15	-41.77
CC(CN(C)C(=O)C1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004613232	1	35	-1.0	-44.90	297.76	3.16	-41.74
CC(CN(C)C(=O)CCC1(C)CC1)C1=N[N-]N=N1	REAL250004613233	0	38	-1.0	-46.75	299.97	4.80	-41.95
CC(CN(C)C(=O)CCC1(C)CC1)C1=NN=N[N-]1	REAL250004613233	1	38	-1.0	-46.78	300.02	4.81	-41.97
CC(CN(C)C(=O)C1=COC(C=O)=C1)C1=N[N-]N=N1	REAL250004613234	0	31	-1.0	-48.16	267.33	2.48	-45.68
CC(CN(C)C(=O)C1=COC(C=O)=C1)C1=NN=N[N-]1	REAL250004613234	1	31	-1.0	-48.18	267.39	2.49	-45.69
CC(CN(C)C(=O)C1=CN=C2SCCN12)C1=NN=N[N-]1	REAL250004613235	0	34	-1.0	-48.29	289.62	3.20	-45.09
CC(CN(C)C(=O)C1=CN=C2SCCN12)C1=N[N-]N=N1	REAL250004613235	1	34	-1.0	-48.30	289.56	3.19	-45.11
CC(CN(C)C(=O)C1=CN=C(N)O1)C1=NN=N[N-]1	REAL250004613236	0	30	-1.0	-42.83	256.41	-2.65	-45.48
CC(CN(C)C(=O)C1=CN=C(N)O1)C1=N[N-]N=N1	REAL250004613236	1	30	-1.0	-42.85	256.35	-2.67	-45.52
CC(CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=N[N-]N=N1	REAL250004613237	0	40	-1.0	-47.15	305.58	5.69	-41.46
CC(CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=NN=N[N-]1	REAL250004613237	1	40	-1.0	-47.16	305.64	5.70	-41.46
CC(CN(C)C(=O)C1CC2CC2CC1C)C1=N[N-]N=N1	REAL250004613238	0	42	-1.0	-42.37	314.75	5.61	-36.76
CC(CN(C)C(=O)C1CC2CC2CC1C)C1=NN=N[N-]1	REAL250004613238	1	42	-1.0	-42.45	314.81	5.63	-36.82
CCCC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613239	0	41	-1.0	-46.46	323.68	6.22	-40.24
CCCC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613239	1	41	-1.0	-46.53	323.74	6.23	-40.30
CC(=O)N1CSC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613240	0	37	-1.0	-53.35	309.15	2.44	-50.91
CC(=O)N1CSC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613240	1	37	-1.0	-53.33	309.21	2.45	-50.88
CC(CN(C)C(=O)C1=CN(C)C=CC1=O)C1=N[N-]N=N1	REAL250004613241	0	35	-1.0	-63.32	296.28	3.47	-59.85
CC(CN(C)C(=O)C1=CN(C)C=CC1=O)C1=NN=N[N-]1	REAL250004613241	1	35	-1.0	-63.35	296.34	3.49	-59.86
CC(CN(C)C(=O)CC1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004613242	0	38	-1.0	-50.62	317.99	4.89	-45.73
CC(CN(C)C(=O)CC1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004613242	1	38	-1.0	-50.58	318.05	4.90	-45.68
CCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN1	REAL250004613243	0	35	-1.0	-47.75	289.47	3.01	-44.74
CCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN1	REAL250004613243	1	35	-1.0	-47.66	289.53	3.02	-44.64
CC(CN(C)C(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004613244	0	36	-1.0	-47.65	299.51	5.61	-42.04
CC(CN(C)C(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004613244	1	36	-1.0	-47.66	299.57	5.63	-42.03
CC(CN(C)C(=O)C=CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004613245	0	36	-1.0	-48.93	305.94	5.68	-43.25
CC(CN(C)C(=O)C=CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004613245	1	36	-1.0	-48.91	305.99	5.70	-43.21
CC(CN(C)C(=O)C1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004613246	1	33	-1.0	-50.06	280.57	2.14	-47.92
CC(CN(C)C(=O)C1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004613246	1	33	-1.0	-50.05	280.62	2.16	-47.89
COC1=CC(=O)NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613247	0	36	-1.0	-48.14	304.63	0.63	-47.51
COC1=CC(=O)NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613247	1	36	-1.0	-48.12	304.69	0.64	-47.48
CC1=CC=CC(C(=O)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613248	0	37	-1.0	-41.08	305.24	4.97	-36.11
CC1=CC=CC(C(=O)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613248	1	37	-1.0	-41.07	305.30	4.98	-36.09
CC(CN(C)C(=O)COC1CCCCCC1)C1=N[N-]N=N1	REAL250004613249	0	45	-1.0	-50.07	338.30	5.54	-44.53
CC(CN(C)C(=O)COC1CCCCCC1)C1=NN=N[N-]1	REAL250004613249	1	45	-1.0	-49.98	338.35	5.56	-44.42
CC(CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004613250	0	42	-1.0	-46.59	309.46	5.62	-40.97
CC(CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004613250	1	42	-1.0	-46.61	309.51	5.64	-40.97
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCCC1	REAL250004613251	0	45	-1.0	-40.56	316.92	4.41	-36.15
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCCC1	REAL250004613251	1	45	-1.0	-40.56	316.98	4.42	-36.14
CC(=O)NC(C)(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613252	0	44	-1.0	-45.39	322.18	2.93	-42.46
CC(=O)NC(C)(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613252	1	44	-1.0	-45.42	322.23	2.95	-42.47
CC(CN(C)C(=O)C1=CC=CC=C1C1CCC1)C1=N[N-]N=N1	REAL250004613253	0	42	-1.0	-48.27	326.98	6.60	-41.67
CC(CN(C)C(=O)C1=CC=CC=C1C1CCC1)C1=NN=N[N-]1	REAL250004613253	1	42	-1.0	-48.26	327.04	6.61	-41.65
CC(CN(C)C(=O)C1=CC(F)=CC(F)=C1O)C1=N[N-]N=N1	REAL250004613254	1	33	-1.0	-46.77	287.83	2.04	-44.73
CC(CN(C)C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL250004613255	0	42	-1.0	-43.41	327.48	6.54	-36.87
CC(CN(C)C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL250004613255	1	42	-1.0	-43.45	327.54	6.56	-36.89
CC(CN(C)C(=O)C1=NC=CC2=NC=NC=C21)C1=NN=N[N-]1	REAL250004613256	0	35	-1.0	-45.77	300.59	2.47	-43.30
CC(CN(C)C(=O)C1=NC=CC2=NC=NC=C21)C1=N[N-]N=N1	REAL250004613256	1	35	-1.0	-45.76	300.53	2.46	-43.30
CC(CN(C)C(=O)C1=NC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004613257	0	34	-1.0	-47.03	286.20	1.94	-45.09
CC(CN(C)C(=O)C1=NC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004613257	1	34	-1.0	-47.04	286.25	1.95	-45.09
CC(CN(C)C(=O)C(O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL250004613258	0	41	-1.0	-42.84	307.44	-1.85	-44.69
CC(CN(C)C(=O)C(O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL250004613258	1	41	-1.0	-42.82	307.50	-1.83	-44.65
CC(CN(C)C(=O)C1=CC=C(CO)C=N1)C1=NN=N[N-]1	REAL250004613259	0	35	-1.0	-45.02	292.24	0.64	-44.38
CC(CN(C)C(=O)C1=CC=C(CO)C=N1)C1=N[N-]N=N1	REAL250004613259	1	35	-1.0	-45.01	292.18	0.63	-44.38
CC1=NOC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613260	0	34	-1.0	-51.59	286.55	3.07	-48.52
CC1=NOC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613260	1	34	-1.0	-51.60	286.60	3.09	-48.51
CC(CN(C)C(=O)CC1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004613261	0	35	-1.0	-50.38	308.08	3.15	-47.23
CC(CN(C)C(=O)CC1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004613261	1	35	-1.0	-50.38	308.13	3.16	-47.22
CC(CN(C)C(=O)C1=CN2CCOCC2=C1)C1=N[N-]N=N1	REAL250004613262	0	38	-1.0	-50.22	304.15	2.95	-47.27
CC(CN(C)C(=O)C1=CN2CCOCC2=C1)C1=NN=N[N-]1	REAL250004613262	1	38	-1.0	-50.19	304.21	2.97	-47.22
CCN1C(=O)NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613263	0	36	-1.0	-48.20	292.05	1.69	-46.51
CCN1C(=O)NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613263	1	36	-1.0	-48.20	292.10	1.70	-46.50
CNC1=NC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613264	0	36	-1.0	-46.28	294.15	2.46	-43.82
CNC1=NC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613264	1	36	-1.0	-46.26	294.21	2.47	-43.79
COC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613265	0	36	-1.0	-45.75	291.90	2.44	-43.31
COC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613265	1	36	-1.0	-45.75	291.96	2.47	-43.28
CC(CN(C)C(=O)CC1CCC2CC2C1)C1=N[N-]N=N1	REAL250004613266	0	42	-1.0	-46.98	318.10	5.99	-40.99
CC(CN(C)C(=O)CC1CCC2CC2C1)C1=NN=N[N-]1	REAL250004613266	1	42	-1.0	-46.96	318.16	6.00	-40.96
CC1=NSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613267	0	31	-1.0	-44.43	270.21	2.22	-42.21
CC1=NSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613267	1	31	-1.0	-44.40	270.27	2.23	-42.17
CC(C)C(O)C(F)(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613268	0	38	-1.0	-42.04	304.10	2.31	-39.73
CC(C)C(O)C(F)(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613268	1	38	-1.0	-42.03	304.16	2.32	-39.71
C#CC1(O)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613269	0	35	-1.0	-45.28	293.22	1.03	-44.25
C#CC1(O)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613269	1	35	-1.0	-45.31	293.28	1.05	-44.26
CC(CN(C)C(=O)C1=C2C=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004613270	0	35	-1.0	-50.65	291.42	6.32	-44.33
CC(CN(C)C(=O)C1=C2C=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004613270	1	35	-1.0	-50.67	291.36	6.31	-44.36
CC1=CC=CN2N=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C12	REAL250004613271	0	38	-1.0	-49.70	315.55	5.05	-44.65
CC1=CC=CN2N=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C12	REAL250004613271	1	38	-1.0	-49.69	315.50	5.03	-44.66
CC(CN(C)C(=O)C1=NOC(C2(C)CC2)=N1)C1=NN=N[N-]1	REAL250004613273	0	37	-1.0	-43.65	310.33	2.33	-41.32
CC(CN(C)C(=O)C1=NOC(C2(C)CC2)=N1)C1=N[N-]N=N1	REAL250004613273	1	37	-1.0	-43.68	310.27	2.32	-41.36
CCOCCOCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613274	0	42	-1.0	-46.72	341.41	2.39	-44.33
CCOCCOCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613274	1	42	-1.0	-46.73	341.47	2.40	-44.33
CC(CN(C)C(=O)COC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004613275	0	43	-1.0	-50.96	330.19	3.17	-47.79
CC(CN(C)C(=O)COC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004613275	1	43	-1.0	-50.98	330.24	3.18	-47.80
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCCO1)C1=N[N-]N=N1	REAL250004613276	0	40	-1.0	-44.93	318.70	3.84	-41.09
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1CCCO1)C1=NN=N[N-]1	REAL250004613276	1	40	-1.0	-44.96	318.76	3.85	-41.11
CC(CN(C)C(=O)C1(C)CCNC(=O)C1)C1=N[N-]N=N1	REAL250004613277	0	39	-1.0	-57.26	294.31	0.51	-56.75
CC(CN(C)C(=O)C1(C)CCNC(=O)C1)C1=NN=N[N-]1	REAL250004613277	1	39	-1.0	-57.25	294.37	0.53	-56.72
CC1=CSC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613278	0	35	-1.0	-47.78	302.29	4.90	-42.88
CC1=CSC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613278	1	35	-1.0	-47.79	302.35	4.91	-42.88
CC(=O)N[C@@H](C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004613279	0	44	-1.0	-43.45	330.30	2.67	-40.78
CC(=O)N[C@@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004613279	1	44	-1.0	-43.40	330.35	2.69	-40.71
CC(CN(C)C(=O)C#CC1CCCOC1)C1=N[N-]N=N1	REAL250004613280	0	38	-1.0	-45.54	313.31	3.66	-41.88
CC(CN(C)C(=O)C#CC1CCCOC1)C1=NN=N[N-]1	REAL250004613280	1	38	-1.0	-45.54	313.36	3.68	-41.86
CC(CN(C)C(=O)C1CC=CCO1)C1=N[N-]N=N1	REAL250004613282	0	34	-1.0	-45.73	271.14	3.10	-42.63
CC(CN(C)C(=O)C1CC=CCO1)C1=NN=N[N-]1	REAL250004613282	1	34	-1.0	-45.72	271.20	3.12	-42.60
CC(CN(C)C(=O)CC1CC(F)C1)C1=N[N-]N=N1	REAL250004613283	0	35	-1.0	-46.67	284.87	4.28	-42.39
CC(CN(C)C(=O)CC1CC(F)C1)C1=NN=N[N-]1	REAL250004613283	1	35	-1.0	-46.73	284.93	4.30	-42.43
CC(CN(C)C(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004613284	0	36	-1.0	-46.38	302.23	4.93	-41.45
CC(CN(C)C(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004613284	1	36	-1.0	-46.39	302.29	4.94	-41.45
CC(CN(C)C(=O)CSC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004613285	0	35	-1.0	-48.22	307.09	4.04	-44.18
CC(CN(C)C(=O)CSC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004613285	1	35	-1.0	-48.20	307.03	4.02	-44.18
CC(CN(C)C(=O)C1=CN2N=CN=C2C=C1)C1=NN=N[N-]1	REAL250004613286	0	34	-1.0	-45.97	292.93	4.72	-41.25
CC(CN(C)C(=O)C1=CN2N=CN=C2C=C1)C1=N[N-]N=N1	REAL250004613286	1	34	-1.0	-45.96	292.87	4.71	-41.25
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC(C=O)=C1	REAL250004613287	0	35	-1.0	-46.61	299.07	2.12	-44.49
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC(C=O)=C1	REAL250004613287	1	35	-1.0	-46.62	299.13	2.13	-44.49
CC(CN(C)C(=O)C1CCS1(=O)=O)C1=N[N-]N=N1	REAL250004613288	0	32	-1.0	-51.15	275.11	-0.65	-51.80
CC(CN(C)C(=O)C1CCS1(=O)=O)C1=NN=N[N-]1	REAL250004613288	1	32	-1.0	-51.16	275.16	-0.63	-51.79
CC(CN(C)C(=O)CC(O)C1CC1)C1=N[N-]N=N1	REAL250004613289	0	36	-1.0	-50.65	293.37	2.00	-48.65
CC(CN(C)C(=O)CC(O)C1CC1)C1=NN=N[N-]1	REAL250004613289	1	36	-1.0	-50.65	293.43	2.01	-48.64
CC(CN(C)C(=O)C1=C2NCCCN2N=C1)C1=NN=N[N-]1	REAL250004613290	0	38	-1.0	-50.36	304.49	1.48	-48.88
CC(CN(C)C(=O)C1=C2NCCCN2N=C1)C1=N[N-]N=N1	REAL250004613290	1	38	-1.0	-50.35	304.44	1.47	-48.88
CC1=NSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004613291	0	33	-1.0	-41.44	278.50	0.40	-41.04
CC1=NSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004613291	1	33	-1.0	-41.44	278.56	0.42	-41.02
CC(CN(C)C(=O)C1=CC=CC=C1C1CC1)C1=N[N-]N=N1	REAL250004613292	0	39	-1.0	-44.40	307.35	5.92	-38.48
CC(CN(C)C(=O)C1=CC=CC=C1C1CC1)C1=NN=N[N-]1	REAL250004613292	1	39	-1.0	-44.42	307.41	5.94	-38.48
CC(CN(C)C(=O)C=CC1=NC=CS1)C1=N[N-]N=N1	REAL250004613293	0	32	-1.0	-45.56	287.14	2.96	-42.60
CC(CN(C)C(=O)C=CC1=NC=CS1)C1=NN=N[N-]1	REAL250004613293	1	32	-1.0	-45.58	287.20	2.97	-42.61
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C	REAL250004613294	0	39	-1.0	-46.99	313.40	4.10	-42.89
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C	REAL250004613294	1	39	-1.0	-47.00	313.46	4.12	-42.88
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CS1	REAL250004613295	0	33	-1.0	-51.79	285.58	2.66	-49.13
COC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CS1	REAL250004613295	1	33	-1.0	-51.80	285.64	2.68	-49.12
CC(CN(C)C(=O)C1C(F)(F)C12CCC2)C1=N[N-]N=N1	REAL250004613296	0	36	-1.0	-45.71	299.16	4.94	-40.77
CC(CN(C)C(=O)C1C(F)(F)C12CCC2)C1=NN=N[N-]1	REAL250004613296	1	36	-1.0	-45.74	299.22	4.95	-40.79
C=C(C)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613297	0	38	-1.0	-47.26	307.83	4.90	-42.36
C=C(C)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613297	1	38	-1.0	-47.24	307.88	4.91	-42.33
COCC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004613298	0	45	-1.0	-42.12	339.82	4.39	-37.73
COCC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004613298	1	45	-1.0	-42.10	339.87	4.40	-37.70
CC(CN(C)C(=O)C1=CC=CC(CCl)=C1)C1=N[N-]N=N1	REAL250004613299	0	35	-1.0	-45.07	301.68	5.35	-39.72
CC(CN(C)C(=O)C1=CC=CC(CCl)=C1)C1=NN=N[N-]1	REAL250004613299	1	35	-1.0	-45.04	301.74	5.37	-39.67
CC(CN(C)C(=O)CN1N=CC(C#N)=C1N)C1=NN=N[N-]1	REAL250004613300	0	35	-1.0	-50.26	306.32	1.77	-48.49
CC(CN(C)C(=O)CN1N=CC(C#N)=C1N)C1=N[N-]N=N1	REAL250004613300	1	35	-1.0	-50.26	306.26	1.75	-48.51
CC(CN(C)C(=O)C1(C#N)CC=CC1)C1=N[N-]N=N1	REAL250004613301	0	34	-1.0	-41.44	277.46	3.56	-37.88
CC(CN(C)C(=O)C1(C#N)CC=CC1)C1=NN=N[N-]1	REAL250004613301	1	34	-1.0	-41.49	277.52	3.58	-37.91
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCCO1	REAL250004613302	0	41	-1.0	-41.96	307.54	4.20	-37.76
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCCO1	REAL250004613302	1	41	-1.0	-41.95	307.60	4.22	-37.73
CCCC(C(=O)OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613303	0	40	-1.0	-51.18	325.01	4.11	-47.07
CCCC(C(=O)OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613303	1	40	-1.0	-51.19	325.07	4.13	-47.06
CC(CN(C)C(=O)CCC[N+](=O)[O-])C1=N[N-]N=N1	REAL250004613304	0	33	-1.0	-53.74	281.01	3.31	-50.43
CC(CN(C)C(=O)CCC[N+](=O)[O-])C1=NN=N[N-]1	REAL250004613304	1	33	-1.0	-53.77	281.06	3.32	-50.45
CC(CN(C)C(=O)[C@H](C)CC1CCCCC1)C1=N[N-]N=N1	REAL250004613305	0	47	-1.0	-43.49	342.71	6.39	-37.10
CC(CN(C)C(=O)[C@H](C)CC1CCCCC1)C1=NN=N[N-]1	REAL250004613305	1	47	-1.0	-43.50	342.77	6.40	-37.10
CC1=CC(COCC(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004613306	0	38	-1.0	-51.76	321.10	3.69	-48.07
CC1=CC(COCC(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004613306	1	38	-1.0	-51.78	321.15	3.71	-48.07
CCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004613307	0	41	-1.0	-49.90	330.45	4.03	-45.87
CCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004613307	1	41	-1.0	-49.93	330.51	4.04	-45.89
CCCN1N=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004613308	0	41	-1.0	-46.58	329.46	3.93	-42.65
CCCN1N=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004613308	1	41	-1.0	-46.50	329.52	3.94	-42.56
CC(CN(C)C(=O)C#CC1CCCCC1)C1=N[N-]N=N1	REAL250004613309	0	40	-1.0	-45.72	322.27	6.06	-39.66
CC(CN(C)C(=O)C#CC1CCCCC1)C1=NN=N[N-]1	REAL250004613309	1	40	-1.0	-45.73	322.33	6.07	-39.66
CC(CN(C)C(=O)C1=NNC=C1Cl)C1=N[N-]N=N1	REAL250004613310	0	29	-1.0	-45.92	260.80	1.69	-44.23
CC(CN(C)C(=O)C1=NNC=C1Cl)C1=NN=N[N-]1	REAL250004613310	1	29	-1.0	-45.90	260.85	1.71	-44.19
CC(CN(C)C(=O)C(O)C1(O)CCC1)C1=N[N-]N=N1	REAL250004613311	0	37	-1.0	-41.76	291.63	-1.20	-42.96
CC(CN(C)C(=O)C(O)C1(O)CCC1)C1=NN=N[N-]1	REAL250004613311	1	37	-1.0	-41.79	291.69	-1.18	-42.97
CC(CN(C)C(=O)C1(CO)CCCO1)C1=N[N-]N=N1	REAL250004613312	0	37	-1.0	-43.81	285.41	-0.21	-44.02
CC(CN(C)C(=O)C1(CO)CCCO1)C1=NN=N[N-]1	REAL250004613312	1	37	-1.0	-43.81	285.47	-0.19	-44.00
CC(CN(C)C(=O)C1(CO)CCC1)C1=N[N-]N=N1	REAL250004613314	0	36	-1.0	-47.77	280.38	0.23	-47.54
CC(CN(C)C(=O)C1(CO)CCC1)C1=NN=N[N-]1	REAL250004613314	1	36	-1.0	-47.77	280.44	0.25	-47.52
CC(O)C(F)(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613315	0	32	-1.0	-42.86	269.45	0.65	-42.21
CC(O)C(F)(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613315	1	32	-1.0	-42.88	269.51	0.66	-42.22
CC(CN1C=CN=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613316	0	38	-1.0	-45.70	306.45	5.03	-40.67
CC(CN1C=CN=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613316	1	38	-1.0	-45.70	306.51	5.04	-40.66
CC(CN(C)C(=O)N1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004613317	0	38	-1.0	-48.18	301.91	5.01	-43.17
CC(CN(C)C(=O)N1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004613317	1	38	-1.0	-48.17	301.97	5.03	-43.14
CC(CN(C)C(=O)C(C)(C)C1CCCO1)C1=N[N-]N=N1	REAL250004613318	0	42	-1.0	-47.72	309.48	3.85	-43.87
CC(CN(C)C(=O)C(C)(C)C1CCCO1)C1=NN=N[N-]1	REAL250004613318	1	42	-1.0	-47.77	309.54	3.86	-43.91
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613319	0	40	-1.0	-44.99	294.67	4.40	-40.59
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613319	1	40	-1.0	-44.97	294.72	4.42	-40.55
CC(CN(C)C(=O)C1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL250004613320	0	35	-1.0	-54.66	298.33	3.88	-50.78
CC(CN(C)C(=O)C1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL250004613320	1	35	-1.0	-54.66	298.27	3.87	-50.79
COC(=O)C1(C)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613321	0	41	-1.0	-54.63	330.34	4.50	-50.13
COC(=O)C1(C)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613321	1	41	-1.0	-54.62	330.40	4.52	-50.10
CC(CN(C)C(=O)C1=COC2=C1COC2)C1=N[N-]N=N1	REAL250004613322	0	34	-1.0	-46.50	279.67	1.62	-44.88
CC(CN(C)C(=O)C1=COC2=C1COC2)C1=NN=N[N-]1	REAL250004613322	1	34	-1.0	-46.49	279.72	1.63	-44.86
CC(C)N1C=NN=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613323	0	40	-1.0	-57.04	326.30	5.27	-51.77
CC(C)N1C=NN=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613323	1	40	-1.0	-57.02	326.36	5.29	-51.73
C=CCC1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613324	0	39	-1.0	-46.81	315.25	5.98	-40.83
C=CCC1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613324	1	39	-1.0	-46.80	315.31	5.99	-40.81
CC(CN(C)C(=O)C12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL250004613325	0	45	-1.0	-43.01	317.67	5.32	-37.69
CC(CN(C)C(=O)C12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL250004613325	1	45	-1.0	-43.04	317.73	5.33	-37.71
CC(CN(C)C(=O)C1(C2CCCO2)CCC1)C1=N[N-]N=N1	REAL250004613326	0	43	-1.0	-46.81	319.61	4.18	-42.63
CC(CN(C)C(=O)C1(C2CCCO2)CCC1)C1=NN=N[N-]1	REAL250004613326	1	43	-1.0	-46.85	319.67	4.19	-42.66
CC(CN(C)C(=O)CN1C=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004613327	0	33	-1.0	-56.76	291.96	2.97	-53.79
CC(CN(C)C(=O)CN1C=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004613327	1	33	-1.0	-56.76	291.91	2.95	-53.81
CC(CN(C)C(=O)CCC1=CON=C1)C1=NN=N[N-]1	REAL250004613328	0	34	-1.0	-47.57	286.86	3.33	-44.24
CC(CN(C)C(=O)CCC1=CON=C1)C1=N[N-]N=N1	REAL250004613328	1	34	-1.0	-47.55	286.81	3.32	-44.23
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004613329	0	35	-1.0	-49.34	288.22	3.00	-46.34
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004613329	1	35	-1.0	-49.35	288.27	3.01	-46.34
CC(CN(C)C(=O)C1C2CCOCC21)C1=N[N-]N=N1	REAL250004613330	0	37	-1.0	-50.31	281.61	4.27	-46.04
CC(CN(C)C(=O)C1C2CCOCC21)C1=NN=N[N-]1	REAL250004613330	1	37	-1.0	-50.33	281.67	4.28	-46.05
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004613331	0	38	-1.0	-44.85	312.33	4.66	-40.19
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004613331	1	38	-1.0	-44.83	312.39	4.68	-40.15
CC(CN(C)C(=O)C(F)(F)CC1CC1)C1=N[N-]N=N1	REAL250004613332	0	35	-1.0	-40.16	291.55	4.46	-35.70
CC(CN(C)C(=O)C(F)(F)CC1CC1)C1=NN=N[N-]1	REAL250004613332	1	35	-1.0	-40.18	291.61	4.47	-35.71
CC(CN(C)C(=O)C#CC1CCCO1)C1=N[N-]N=N1	REAL250004613333	0	35	-1.0	-47.80	295.39	3.05	-44.75
CC(CN(C)C(=O)C#CC1CCCO1)C1=NN=N[N-]1	REAL250004613333	1	35	-1.0	-47.80	295.45	3.07	-44.73
COC1=NOC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613334	0	35	-1.0	-49.27	298.12	0.72	-48.55
COC1=NOC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613334	1	35	-1.0	-49.26	298.18	0.73	-48.53
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C)O1	REAL250004613335	0	38	-1.0	-42.93	304.77	4.53	-38.40
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C)O1	REAL250004613335	1	38	-1.0	-42.94	304.82	4.55	-38.39
CC(CN(C)C(=O)C1=CC=C(Cl)N1)C1=N[N-]N=N1	REAL250004613336	0	30	-1.0	-40.98	264.80	2.90	-38.08
CC(CN(C)C(=O)C1=CC=C(Cl)N1)C1=NN=N[N-]1	REAL250004613336	1	30	-1.0	-40.96	264.86	2.91	-38.05
CC1=C(C)NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613337	0	36	-1.0	-44.86	289.23	3.65	-41.21
CC1=C(C)NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613337	1	36	-1.0	-44.88	289.29	3.66	-41.22
CCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004613338	0	38	-1.0	-42.34	308.64	4.55	-37.79
CCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004613338	1	38	-1.0	-42.40	308.70	4.56	-37.84
CCC(F)(F)C(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613339	0	40	-1.0	-54.45	302.99	4.17	-50.28
CCC(F)(F)C(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613339	1	40	-1.0	-54.46	303.05	4.18	-50.28
CC(CN(C)C(=O)C1(F)CCOC1C)C1=N[N-]N=N1	REAL250004613340	0	36	-1.0	-43.68	277.20	2.00	-41.68
CC(CN(C)C(=O)C1(F)CCOC1C)C1=NN=N[N-]1	REAL250004613340	1	36	-1.0	-43.69	277.25	2.01	-41.68
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004613341	0	39	-1.0	-49.80	322.14	4.19	-45.61
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004613341	1	39	-1.0	-49.81	322.20	4.20	-45.61
CC(CN(C)C(=O)C1CCCC2=C1NC=N2)C1=N[N-]N=N1	REAL250004613342	0	39	-1.0	-44.92	306.58	4.16	-40.76
CC(CN(C)C(=O)C1CCCC2=C1NC=N2)C1=NN=N[N-]1	REAL250004613342	1	39	-1.0	-44.94	306.64	4.17	-40.77
CC(CN(C)C(=O)C1CCN2N=CN=C2C1)C1=N[N-]N=N1	REAL250004613343	0	38	-1.0	-44.70	302.65	4.20	-40.50
CC(CN(C)C(=O)C1CCN2N=CN=C2C1)C1=NN=N[N-]1	REAL250004613343	1	38	-1.0	-44.71	302.71	4.21	-40.50
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCCOC1	REAL250004613344	0	43	-1.0	-49.58	330.20	2.92	-46.66
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCCOC1	REAL250004613344	1	43	-1.0	-49.62	330.26	2.93	-46.69
CC(CN(C)C(=O)C1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL250004613345	0	39	-1.0	-52.19	316.07	5.80	-46.39
CC(CN(C)C(=O)C1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL250004613345	1	39	-1.0	-52.13	316.13	5.81	-46.32
CCC(C)(C)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613346	0	46	-1.0	-46.74	342.86	5.86	-40.88
CCC(C)(C)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613346	1	46	-1.0	-46.73	342.92	5.88	-40.85
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004613347	0	42	-1.0	-44.03	338.70	7.10	-36.93
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004613347	1	42	-1.0	-44.03	338.76	7.12	-36.91
CCCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)O1	REAL250004613348	0	41	-1.0	-42.06	330.15	5.33	-36.73
CCCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)O1	REAL250004613348	1	41	-1.0	-42.06	330.20	5.34	-36.72
CC(CN(C)C(=O)C1=C2C(=CC=N1)C=CN2C)C1=NN=N[N-]1	REAL250004613349	0	38	-1.0	-46.13	314.12	3.99	-42.14
CC(CN(C)C(=O)C1=C2C(=CC=N1)C=CN2C)C1=N[N-]N=N1	REAL250004613349	1	38	-1.0	-46.14	314.06	3.98	-42.16
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC=N1	REAL250004613350	0	34	-1.0	-42.37	281.57	0.55	-41.82
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC=N1	REAL250004613350	1	34	-1.0	-42.39	281.63	0.57	-41.82
CC(CN(C)C(=O)C1=C(C2CCC2)OC=N1)C1=NN=N[N-]1	REAL250004613351	0	38	-1.0	-45.75	308.45	2.86	-42.89
CC(CN(C)C(=O)C1=C(C2CCC2)OC=N1)C1=N[N-]N=N1	REAL250004613351	1	38	-1.0	-45.76	308.39	2.85	-42.91
CC(CN(C)C(=O)C1=CCCS1)C1=N[N-]N=N1	REAL250004613352	0	31	-1.0	-42.53	262.39	3.20	-39.33
CC(CN(C)C(=O)C1=CCCS1)C1=NN=N[N-]1	REAL250004613352	1	31	-1.0	-42.54	262.45	3.22	-39.32
CC(=CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613353	0	38	-1.0	-45.58	297.08	4.65	-40.93
CC(=CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613353	1	38	-1.0	-45.54	297.15	4.67	-40.87
CC(CN(C)C(=O)C1=CC2=NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004613354	0	36	-1.0	-44.95	298.75	2.59	-42.36
CC(CN(C)C(=O)C1=CC2=NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004613354	1	36	-1.0	-44.98	298.69	2.58	-42.40
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CS1	REAL250004613355	0	31	-1.0	-45.93	268.07	2.83	-43.10
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CS1	REAL250004613355	1	31	-1.0	-45.95	268.01	2.82	-43.13
CC(CN(C)C(=O)C1(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004613356	0	41	-1.0	-43.39	303.72	4.46	-38.93
CC(CN(C)C(=O)C1(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004613356	1	41	-1.0	-43.38	303.78	4.47	-38.91
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C)N=C1	REAL250004613357	0	41	-1.0	-42.05	333.76	3.99	-38.06
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C)N=C1	REAL250004613357	1	41	-1.0	-42.01	333.70	3.97	-38.04
CC(CN(C)C(=O)C1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL250004613358	0	32	-1.0	-46.64	287.91	3.85	-42.79
CC(CN(C)C(=O)C1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL250004613358	1	32	-1.0	-46.62	287.85	3.84	-42.78
CSC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613359	0	38	-1.0	-46.58	302.78	4.26	-42.32
CSC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613359	1	38	-1.0	-46.57	302.84	4.28	-42.29
CC(CN(C)C(=O)C1=CN=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL250004613360	0	34	-1.0	-41.05	291.63	-1.71	-42.76
CC(CN(C)C(=O)C1=CN=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL250004613360	1	34	-1.0	-41.04	291.57	-1.73	-42.77
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=N1	REAL250004613361	0	37	-1.0	-46.58	300.59	3.51	-43.07
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=N1	REAL250004613361	1	37	-1.0	-46.59	300.65	3.52	-43.07
CC(CN(C)C(=O)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004613362	0	38	-1.0	-47.87	307.80	5.43	-42.44
CC(CN(C)C(=O)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004613362	1	38	-1.0	-47.87	307.86	5.45	-42.42
CC(CN(C)C(=O)C1CCCC2=NC=NN21)C1=N[N-]N=N1	REAL250004613363	0	38	-1.0	-46.71	304.70	4.42	-42.29
CC(CN(C)C(=O)C1CCCC2=NC=NN21)C1=NN=N[N-]1	REAL250004613363	1	38	-1.0	-46.70	304.75	4.43	-42.27
CC(CN(C)C(=O)C12CCC(CC1=O)C2)C1=N[N-]N=N1	REAL250004613364	0	38	-1.0	-46.10	290.23	3.81	-42.29
CC(CN(C)C(=O)C12CCC(CC1=O)C2)C1=NN=N[N-]1	REAL250004613364	1	38	-1.0	-46.12	290.29	3.82	-42.30
CC(CN(C)C(=O)CC1(O)CCCOC1)C1=N[N-]N=N1	REAL250004613365	0	40	-1.0	-48.15	309.38	1.10	-47.05
CC(CN(C)C(=O)CC1(O)CCCOC1)C1=NN=N[N-]1	REAL250004613365	1	40	-1.0	-48.11	309.43	1.11	-47.00
CC(CN(C)C(=O)C1=NNC=C1C#N)C1=N[N-]N=N1	REAL250004613366	0	30	-1.0	-52.64	266.05	1.63	-51.01
CC(CN(C)C(=O)C1=NNC=C1C#N)C1=NN=N[N-]1	REAL250004613366	1	30	-1.0	-52.61	266.11	1.65	-50.96
CC(CN(C)C(=O)C=CC1=COC=N1)C1=N[N-]N=N1	REAL250004613367	0	32	-1.0	-48.73	277.36	0.42	-48.31
CC(CN(C)C(=O)C=CC1=COC=N1)C1=NN=N[N-]1	REAL250004613367	1	32	-1.0	-48.68	277.42	0.44	-48.24
CC(CN(C)C(=O)CCC1=NNC=C1)C1=N[N-]N=N1	REAL250004613368	0	35	-1.0	-48.34	291.68	2.29	-46.05
CC(CN(C)C(=O)CCC1=NNC=C1)C1=NN=N[N-]1	REAL250004613368	1	35	-1.0	-48.36	291.74	2.31	-46.05
CC(CN(C)C(=O)C(F)(F)C1=NC=CN1C)C1=NN=N[N-]1	REAL250004613369	0	35	-1.0	-46.75	295.97	4.05	-42.70
CC(CN(C)C(=O)C(F)(F)C1=NC=CN1C)C1=N[N-]N=N1	REAL250004613369	1	35	-1.0	-46.76	295.91	4.03	-42.73
CC(CN(C)C(=O)C1(C)CC(C)C1)C1=N[N-]N=N1	REAL250004613370	0	38	-1.0	-43.15	285.11	4.05	-39.10
CC(CN(C)C(=O)C1(C)CC(C)C1)C1=NN=N[N-]1	REAL250004613370	1	38	-1.0	-43.16	285.16	4.07	-39.09
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCO1	REAL250004613371	0	40	-1.0	-42.60	307.66	2.15	-40.45
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCO1	REAL250004613371	1	40	-1.0	-42.60	307.72	2.17	-40.43
CC(CN(C)C(=O)C12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL250004613372	0	45	-1.0	-43.01	317.67	5.32	-37.69
CC(CN(C)C(=O)C12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL250004613372	1	45	-1.0	-43.04	317.73	5.33	-37.71
CCC1=CNC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613373	0	36	-1.0	-48.10	291.58	3.38	-44.72
CCC1=CNC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613373	1	36	-1.0	-48.15	291.64	3.39	-44.76
C#CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004613374	0	37	-1.0	-42.28	291.22	4.55	-37.73
C#CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004613374	1	37	-1.0	-42.27	291.27	4.57	-37.70
CC(CN(C)C(=O)C(C)(C)C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004613375	0	41	-1.0	-57.02	318.12	3.69	-53.33
CC(CN(C)C(=O)C(C)(C)C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004613375	1	41	-1.0	-57.03	318.06	3.67	-53.36
CC(CN(C)C(=O)C1(C)CC(C#N)C1)C1=N[N-]N=N1	REAL250004613376	0	36	-1.0	-47.19	285.14	3.60	-43.59
CC(CN(C)C(=O)C1(C)CC(C#N)C1)C1=NN=N[N-]1	REAL250004613376	1	36	-1.0	-47.18	285.20	3.61	-43.57
CC(CN(C)C(=O)CC1(O)CCOC1)C1=N[N-]N=N1	REAL250004613377	0	37	-1.0	-44.55	290.69	-0.17	-44.72
CC(CN(C)C(=O)CC1(O)CCOC1)C1=NN=N[N-]1	REAL250004613377	1	37	-1.0	-44.58	290.75	-0.16	-44.74
CC(CN(C)C(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004613378	0	36	-1.0	-45.99	298.44	2.17	-43.82
CC(CN(C)C(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004613378	1	36	-1.0	-46.00	298.50	2.19	-43.81
CC(CN(C)C(=O)C=CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004613379	0	37	-1.0	-45.71	313.09	1.96	-43.75
CC(CN(C)C(=O)C=CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004613379	1	37	-1.0	-45.67	313.15	1.97	-43.70
CC1=CN(C(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004613380	0	38	-1.0	-52.01	306.16	3.39	-48.62
CC1=CN(C(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004613380	1	38	-1.0	-51.98	306.11	3.37	-48.61
CC(CN(C)C(=O)C=CC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004613381	0	35	-1.0	-48.16	300.80	3.79	-44.37
CC(CN(C)C(=O)C=CC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004613381	1	35	-1.0	-48.09	300.86	3.81	-44.28
CC(CN(C)C(=O)COC1=NOC=C1)C1=NN=N[N-]1	REAL250004613382	0	32	-1.0	-50.73	277.29	1.16	-49.57
CC(CN(C)C(=O)COC1=NOC=C1)C1=N[N-]N=N1	REAL250004613382	1	32	-1.0	-50.74	277.24	1.14	-49.60
CC(CN(C)C(=O)C1=CC2=NC=NN2C=C1)C1=NN=N[N-]1	REAL250004613384	0	34	-1.0	-46.62	293.00	4.72	-41.90
CC(CN(C)C(=O)C1=CC2=NC=NN2C=C1)C1=N[N-]N=N1	REAL250004613384	1	34	-1.0	-46.59	292.94	4.70	-41.89
CC(CN(C)C(=O)C1(N2C=CN=N2)CC1)C1=NN=N[N-]1	REAL250004613385	0	35	-1.0	-39.96	289.14	2.24	-37.72
CC(CN(C)C(=O)C1(N2C=CN=N2)CC1)C1=N[N-]N=N1	REAL250004613385	1	35	-1.0	-39.95	289.08	2.22	-37.73
CC(CN(C)C(=O)C12CCC(CC1)CC2)C1=N[N-]N=N1	REAL250004613386	0	42	-1.0	-47.22	301.75	4.96	-42.26
CC(CN(C)C(=O)C12CCC(CC1)CC2)C1=NN=N[N-]1	REAL250004613386	1	42	-1.0	-47.17	301.81	4.98	-42.19
CC(CN(C)C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=N[N-]N=N1	REAL250004613387	0	40	-1.0	-47.95	294.48	2.88	-45.07
CC(CN(C)C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=NN=N[N-]1	REAL250004613387	1	40	-1.0	-47.92	294.54	2.90	-45.02
CC(CN(C)C(=O)CC1(CO)CCC1)C1=N[N-]N=N1	REAL250004613388	0	39	-1.0	-42.26	303.31	1.33	-40.93
CC(CN(C)C(=O)CC1(CO)CCC1)C1=NN=N[N-]1	REAL250004613388	1	39	-1.0	-42.26	303.36	1.34	-40.92
CC1=CC=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613389	0	35	-1.0	-45.25	299.88	5.16	-40.09
CC1=CC=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613389	1	35	-1.0	-45.26	299.94	5.18	-40.08
CCC(CCOC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613390	0	41	-1.0	-49.88	312.45	2.68	-47.20
CCC(CCOC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613390	1	41	-1.0	-49.92	312.50	2.68	-47.24
CC1=NC(N)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613391	0	35	-1.0	-42.01	287.66	2.05	-39.96
CC1=NC(N)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613391	1	35	-1.0	-42.02	287.72	2.07	-39.95
CC(CN(C)C(=O)C1=CC=C(F)C(O)=C1F)C1=N[N-]N=N1	REAL250004613392	1	33	-1.0	-47.24	288.68	1.38	-45.86
CC(CN(C)C(=O)C1=CC=C(F)C(O)=C1F)C1=NN=N[N-]1	REAL250004613392	1	33	-1.0	-47.24	288.74	1.39	-45.85
CC(CN(C)C(=O)CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004613393	0	35	-1.0	-52.42	290.69	2.63	-49.79
CC(CN(C)C(=O)CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004613393	1	35	-1.0	-52.42	290.74	2.64	-49.78
CC(CN(C)C(=O)C#CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004613394	0	38	-1.0	-47.39	315.37	3.64	-43.75
CC(CN(C)C(=O)C#CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004613394	1	38	-1.0	-47.41	315.43	3.66	-43.75
CC(CN(C)C(=O)C1CSC(=O)N1)C1=N[N-]N=N1	REAL250004613395	0	31	-1.0	-53.62	269.77	-0.24	-53.86
CC(CN(C)C(=O)C1CSC(=O)N1)C1=NN=N[N-]1	REAL250004613395	1	31	-1.0	-53.64	269.83	-0.22	-53.86
CC(CN(C)C(=O)C1=NNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004613396	0	33	-1.0	-49.22	283.46	-2.17	-51.39
CC(CN(C)C(=O)C1=NNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004613396	1	33	-1.0	-49.23	283.52	-2.15	-51.38
CC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1C=NN=C1	REAL250004613397	0	40	-1.0	-50.68	322.90	6.61	-44.07
CC(C)C(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1C=NN=C1	REAL250004613397	1	40	-1.0	-50.67	322.85	6.60	-44.07
CC(CN(C)C(=O)CC1CC(O)C1(C)C)C1=N[N-]N=N1	REAL250004613398	0	42	-1.0	-46.24	324.42	1.94	-44.30
CC(CN(C)C(=O)CC1CC(O)C1(C)C)C1=NN=N[N-]1	REAL250004613398	1	42	-1.0	-46.23	324.48	1.95	-44.28
CC(CN(C)C(=O)C1=CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004613399	0	38	-1.0	-48.28	302.32	3.03	-45.25
CC(CN(C)C(=O)C1=CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004613399	1	38	-1.0	-48.29	302.38	3.04	-45.25
CC(CN(C)C(=O)C1=CC=NN1CCF)C1=NN=N[N-]1	REAL250004613400	0	35	-1.0	-42.81	288.32	2.85	-39.96
CC(CN(C)C(=O)C1=CC=NN1CCF)C1=N[N-]N=N1	REAL250004613400	1	35	-1.0	-42.82	288.27	2.83	-39.99
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CS1	REAL250004613401	0	34	-1.0	-43.01	288.39	3.60	-39.41
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CS1	REAL250004613401	1	34	-1.0	-42.97	288.33	3.58	-39.39
CC(CN(C)C(=O)C1=CN=C2SC=CN12)C1=NN=N[N-]1	REAL250004613402	0	32	-1.0	-45.97	278.75	3.58	-42.39
CC(CN(C)C(=O)C1=CN=C2SC=CN12)C1=N[N-]N=N1	REAL250004613402	1	32	-1.0	-45.95	278.70	3.57	-42.38
CC1=NC=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004613403	0	37	-1.0	-46.90	318.54	3.86	-43.04
CC1=NC=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004613403	1	37	-1.0	-46.90	318.60	3.88	-43.02
CC(CN(C)C(=O)C1(C)CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004613404	0	42	-1.0	-49.26	321.57	6.22	-43.04
CC(CN(C)C(=O)C1(C)CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004613404	1	42	-1.0	-49.26	321.63	6.23	-43.03
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCO1	REAL250004613405	0	34	-1.0	-46.51	267.71	2.45	-44.06
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCO1	REAL250004613405	1	34	-1.0	-46.51	267.76	2.46	-44.05
CCCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613406	0	38	-1.0	-45.64	311.63	4.11	-41.53
CCCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613406	1	38	-1.0	-45.62	311.58	4.10	-41.52
CC(CN(C)C(=O)C1=NC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004613407	0	31	-1.0	-44.92	279.74	3.77	-41.15
CC(CN(C)C(=O)C1=NC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004613407	1	31	-1.0	-44.90	279.68	3.76	-41.14
CCC(C)N1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613408	0	41	-1.0	-42.13	321.54	4.06	-38.07
CCC(C)N1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613408	1	41	-1.0	-42.18	321.49	4.04	-38.14
CC(CN(C)C(=O)[C@H](C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004613409	0	34	-1.0	-43.67	279.11	3.46	-40.21
CC(CN(C)C(=O)[C@H](C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004613409	1	34	-1.0	-43.68	279.17	3.48	-40.20
CCN1C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613410	0	36	-1.0	-43.35	286.48	4.45	-38.90
CCN1C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613410	1	36	-1.0	-43.38	286.54	4.46	-38.92
CC1=C(O)C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004613411	0	39	-1.0	-44.14	305.78	2.33	-41.81
CC1=C(O)C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004613411	1	39	-1.0	-44.18	305.83	2.35	-41.83
CC(CN(C)C(=O)C(C)(C)CC1=NNN=C1)C1=N[N-]N=N1	REAL250004613412	0	40	-1.0	-45.99	308.45	1.65	-44.34
CC(CN(C)C(=O)C(C)(C)CC1=NNN=C1)C1=NN=N[N-]1	REAL250004613412	1	40	-1.0	-45.99	308.51	1.67	-44.32
CC(=CN1C=CN=N1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613413	0	35	-1.0	-46.84	284.61	2.56	-44.28
CC(=CN1C=CN=N1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613413	1	35	-1.0	-46.86	284.66	2.58	-44.28
CC(CN(C)C(=O)C1(CC(F)F)CCC1)C1=N[N-]N=N1	REAL250004613414	0	38	-1.0	-47.26	291.37	4.26	-43.00
CC(CN(C)C(=O)C1(CC(F)F)CCC1)C1=NN=N[N-]1	REAL250004613414	1	38	-1.0	-47.29	291.42	4.27	-43.02
CC(CN(C)C(=O)C(F)=CC1CC1)C1=N[N-]N=N1	REAL250004613415	0	33	-1.0	-39.18	277.53	4.28	-34.90
CC(CN(C)C(=O)C(F)=CC1CC1)C1=NN=N[N-]1	REAL250004613415	1	33	-1.0	-39.20	277.59	4.29	-34.91
CC(CN(C)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004613416	0	36	-1.0	-42.54	294.83	4.74	-37.80
CC(CN(C)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004613416	1	36	-1.0	-42.58	294.89	4.75	-37.83
CC(CN(C)C(=O)C1=CC2=C(CCCC2)O1)C1=N[N-]N=N1	REAL250004613417	0	39	-1.0	-45.52	311.58	5.20	-40.32
CC(CN(C)C(=O)C1=CC2=C(CCCC2)O1)C1=NN=N[N-]1	REAL250004613417	1	39	-1.0	-45.51	311.64	5.21	-40.30
CC1=CC=C2C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004613418	0	39	-1.0	-54.87	318.88	4.79	-50.08
CC1=CC=C2C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004613418	1	39	-1.0	-54.86	318.94	4.81	-50.05
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C)C=N1	REAL250004613419	0	35	-1.0	-44.14	290.12	3.83	-40.31
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C)C=N1	REAL250004613419	1	35	-1.0	-44.15	290.18	3.84	-40.31
COC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613420	0	33	-1.0	-41.70	276.05	-1.18	-42.88
COC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613420	1	33	-1.0	-41.70	276.11	-1.16	-42.86
CC(CN(C)C(=O)C1NC(=O)CC1C)C1=N[N-]N=N1	REAL250004613421	0	36	-1.0	-49.24	290.00	0.44	-48.80
CC(CN(C)C(=O)C1NC(=O)CC1C)C1=NN=N[N-]1	REAL250004613421	1	36	-1.0	-49.22	290.06	0.45	-48.77
CCC1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCC1=O	REAL250004613422	0	43	-1.0	-44.44	317.14	4.66	-39.78
CCC1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCC1=O	REAL250004613422	1	43	-1.0	-44.44	317.19	4.67	-39.77
COCC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613423	0	35	-1.0	-42.86	297.48	1.46	-41.40
COCC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613423	1	35	-1.0	-42.84	297.54	1.48	-41.36
CC(CN(C)C(=O)C1(C#N)CC12CCC2)C1=N[N-]N=N1	REAL250004613424	0	37	-1.0	-40.36	302.89	4.61	-35.75
CC(CN(C)C(=O)C1(C#N)CC12CCC2)C1=NN=N[N-]1	REAL250004613424	1	37	-1.0	-40.33	302.95	4.62	-35.71
CC(CN(C)C(=O)C(F)(F)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004613425	0	34	-1.0	-42.98	292.47	3.31	-39.67
CC(CN(C)C(=O)C(F)(F)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004613425	1	34	-1.0	-42.99	292.42	3.29	-39.70
CC(CN(C)C(=O)C1CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004613426	0	40	-1.0	-47.79	311.55	3.18	-44.61
CC(CN(C)C(=O)C1CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004613426	1	40	-1.0	-47.76	311.61	3.19	-44.57
CC(CN(C)C(=O)C1=CC=C2CCCC2=N1)C1=N[N-]N=N1	REAL250004613427	0	38	-1.0	-46.46	306.21	5.14	-41.32
CC(CN(C)C(=O)C1=CC=C2CCCC2=N1)C1=NN=N[N-]1	REAL250004613427	1	38	-1.0	-46.48	306.27	5.15	-41.33
CC(CN(C)C(=O)C1CNC(=O)CC1(C)C)C1=N[N-]N=N1	REAL250004613428	0	42	-1.0	-44.07	316.88	1.43	-42.64
CC(CN(C)C(=O)C1CNC(=O)CC1(C)C)C1=NN=N[N-]1	REAL250004613428	1	42	-1.0	-44.09	316.93	1.45	-42.64
CC(CN(C)C(=O)C1CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004613429	0	42	-1.0	-50.89	333.27	4.46	-46.43
CC(CN(C)C(=O)C1CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004613429	1	42	-1.0	-50.91	333.32	4.48	-46.43
CC(CN(C)C(=O)C1=COC2=C1CCCC2)C1=N[N-]N=N1	REAL250004613430	0	39	-1.0	-45.72	309.34	4.86	-40.86
CC(CN(C)C(=O)C1=COC2=C1CCCC2)C1=NN=N[N-]1	REAL250004613430	1	39	-1.0	-45.72	309.40	4.88	-40.84
CCC1(CC)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613431	0	44	-1.0	-46.44	329.16	5.56	-40.88
CCC1(CC)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613431	1	44	-1.0	-46.48	329.22	5.58	-40.90
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004613432	0	40	-1.0	-39.19	323.56	4.23	-34.96
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004613432	1	40	-1.0	-39.22	323.50	4.22	-35.00
CC(CN(C)C(=O)CN1N=CN=N1)C1=NN=N[N-]1	REAL250004613433	0	30	-1.0	-50.07	260.56	1.25	-48.82
CC(CN(C)C(=O)CN1N=CN=N1)C1=N[N-]N=N1	REAL250004613433	1	30	-1.0	-50.07	260.50	1.23	-48.84
CC(CN(C)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=N[N-]N=N1	REAL250004613434	0	42	-1.0	-44.33	317.95	5.58	-38.75
CC(CN(C)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=NN=N[N-]1	REAL250004613434	1	42	-1.0	-44.35	318.01	5.60	-38.75
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004613435	0	38	-1.0	-48.28	312.64	4.60	-43.68
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004613435	1	38	-1.0	-48.26	312.70	4.61	-43.65
CC(C)=CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613436	0	38	-1.0	-46.26	304.11	4.89	-41.37
CC(C)=CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613436	1	38	-1.0	-46.22	304.17	4.91	-41.31
COC1=CC=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613437	0	35	-1.0	-46.38	289.27	1.91	-44.47
COC1=CC=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613437	1	35	-1.0	-46.37	289.33	1.92	-44.45
CC(=O)OCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613438	0	37	-1.0	-50.07	308.93	3.87	-46.20
CC(=O)OCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613438	1	37	-1.0	-50.07	308.99	3.88	-46.19
CC(=O)NC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613439	0	44	-1.0	-55.99	338.30	3.78	-52.21
CC(=O)NC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613439	1	44	-1.0	-56.00	338.35	3.79	-52.21
CC1=C(C)OC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613440	0	40	-1.0	-48.60	330.40	2.05	-46.55
CC1=C(C)OC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613440	1	40	-1.0	-48.58	330.46	2.07	-46.51
CC(CN(C)C(=O)C1=CN(C2COC2)N=N1)C1=NN=N[N-]1	REAL250004613441	0	36	-1.0	-42.77	300.00	0.12	-42.65
CC(CN(C)C(=O)C1=CN(C2COC2)N=N1)C1=N[N-]N=N1	REAL250004613441	1	36	-1.0	-42.77	299.94	0.11	-42.66
CC(CN(C)C(=O)C1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL250004613442	0	35	-1.0	-45.54	296.73	3.49	-42.05
CC(CN(C)C(=O)C1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL250004613442	1	35	-1.0	-45.50	296.67	3.48	-42.02
CC(CN(C)C(=O)CCC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004613443	0	37	-1.0	-47.76	313.14	4.10	-43.66
CC(CN(C)C(=O)CCC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004613443	1	37	-1.0	-47.77	313.09	4.08	-43.69
CC(CN(C)C(=O)C1(C)CCC(=O)C1)C1=N[N-]N=N1	REAL250004613444	0	37	-1.0	-42.49	285.27	3.19	-39.30
CC(CN(C)C(=O)C1(C)CCC(=O)C1)C1=NN=N[N-]1	REAL250004613444	1	37	-1.0	-42.50	285.33	3.21	-39.29
CC1=NC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004613445	0	34	-1.0	-49.66	297.13	3.09	-46.57
CC1=NC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004613445	1	34	-1.0	-49.69	297.19	3.10	-46.59
CC1=C(C)NC(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613446	0	39	-1.0	-47.89	323.55	3.66	-44.23
CC1=C(C)NC(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613446	1	39	-1.0	-47.90	323.61	3.67	-44.23
CC(=O)CC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613447	0	39	-1.0	-44.29	295.17	3.40	-40.89
CC(=O)CC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613447	1	39	-1.0	-44.31	295.22	3.42	-40.89
CC(CN(C)C(=O)C(=O)N=S(C)(C)=O)C1=N[N-]N=N1	REAL250004613448	0	34	-1.0	-60.06	295.78	-1.17	-61.23
CC(CN(C)C(=O)C(=O)N=S(C)(C)=O)C1=NN=N[N-]1	REAL250004613448	1	34	-1.0	-59.97	295.84	-1.15	-61.12
CC(CN(C)C(=O)C#CC1CCC(=O)CC1)C1=N[N-]N=N1	REAL250004613449	0	39	-1.0	-51.03	321.30	4.97	-46.06
CC(CN(C)C(=O)C#CC1CCC(=O)CC1)C1=NN=N[N-]1	REAL250004613449	1	39	-1.0	-51.02	321.36	4.99	-46.03
CC(CN(C)C(=O)C(F)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004613450	0	34	-1.0	-42.85	287.03	3.78	-39.07
CC(CN(C)C(=O)C(F)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004613450	1	34	-1.0	-42.83	287.09	3.80	-39.03
CC1=CNC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613451	0	38	-1.0	-47.72	313.26	3.17	-44.55
CC1=CNC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613451	1	38	-1.0	-47.70	313.32	3.19	-44.51
CC(CN(C)C(=O)C12CC(C)(C1)OC2(C)C)C1=N[N-]N=N1	REAL250004613452	0	43	-1.0	-46.63	318.36	3.30	-43.33
CC(CN(C)C(=O)C12CC(C)(C1)OC2(C)C)C1=NN=N[N-]1	REAL250004613452	1	43	-1.0	-46.63	318.41	3.32	-43.31
CC(CN(C)C(=O)C(C)(C)N1C=NN=N1)C1=NN=N[N-]1	REAL250004613453	0	36	-1.0	-62.22	284.80	2.13	-60.09
CC(CN(C)C(=O)C(C)(C)N1C=NN=N1)C1=N[N-]N=N1	REAL250004613453	1	36	-1.0	-62.23	284.74	2.11	-60.12
CC(CN(C)C(=O)C(C)(C)C1=CN=CN=C1)C1=NN=N[N-]1	REAL250004613454	0	39	-1.0	-47.11	303.40	4.01	-43.10
CC(CN(C)C(=O)C(C)(C)C1=CN=CN=C1)C1=N[N-]N=N1	REAL250004613454	1	39	-1.0	-47.08	303.34	3.99	-43.09
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC=CC1	REAL250004613455	0	40	-1.0	-50.81	307.86	3.08	-47.73
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC=CC1	REAL250004613455	1	40	-1.0	-50.82	307.92	3.09	-47.73
CCCC(CC)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613457	0	43	-1.0	-46.51	326.47	5.54	-40.97
CCCC(CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613457	1	43	-1.0	-46.49	326.51	5.55	-40.94
CC(CN(C)C(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL250004613458	0	34	-1.0	-45.58	291.56	3.82	-41.76
CC(CN(C)C(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL250004613458	1	34	-1.0	-45.58	291.61	3.84	-41.74
CC1=CC=C2OC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C2=C1	REAL250004613459	0	38	-1.0	-52.15	314.43	5.21	-46.94
CC1=CC=C2OC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C2=C1	REAL250004613459	1	38	-1.0	-52.10	314.48	5.23	-46.87
CC1=CC=C2C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=COC2=C1	REAL250004613460	0	38	-1.0	-47.01	314.59	5.22	-41.79
CC1=CC=C2C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=COC2=C1	REAL250004613460	1	38	-1.0	-47.01	314.64	5.24	-41.77
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613461	0	40	-1.0	-58.62	321.01	-0.65	-59.27
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613461	1	40	-1.0	-58.57	321.07	-0.63	-59.20
CC(CN(C)C(=O)C1C(F)(F)C12CC2)C1=N[N-]N=N1	REAL250004613462	0	33	-1.0	-42.92	286.02	4.48	-38.44
CC(CN(C)C(=O)C1C(F)(F)C12CC2)C1=NN=N[N-]1	REAL250004613462	1	33	-1.0	-42.97	286.08	4.50	-38.47
CC(CN(C)C(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004613463	0	35	-1.0	-48.38	299.59	5.19	-43.19
CC(CN(C)C(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004613463	1	35	-1.0	-48.42	299.64	5.21	-43.21
C=CCOC(=O)NCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613464	0	37	-1.0	-45.30	314.67	0.67	-44.63
C=CCOC(=O)NCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613464	1	37	-1.0	-45.33	314.73	0.68	-44.65
COCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC=C1	REAL250004613465	0	36	-1.0	-45.49	299.83	2.32	-43.17
COCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC=C1	REAL250004613465	1	36	-1.0	-45.48	299.89	2.34	-43.14
CC(CN(C)C(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL250004613466	0	37	-1.0	-47.46	313.97	2.81	-44.65
CC(CN(C)C(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL250004613466	1	37	-1.0	-47.49	313.92	2.80	-44.69
CC(CN(C)C(=O)C1CC2C=CCC(C2)C1)C1=N[N-]N=N1	REAL250004613467	0	43	-1.0	-43.34	290.61	6.06	-37.28
CC(CN(C)C(=O)C1CC2C=CCC(C2)C1)C1=NN=N[N-]1	REAL250004613467	1	43	-1.0	-43.35	290.67	6.07	-37.28
COC1=CN=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613468	0	35	-1.0	-43.86	287.37	1.44	-42.42
COC1=CN=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613468	1	35	-1.0	-43.88	287.31	1.42	-42.46
CC(CN(C)C(=O)C[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004613469	0	34	-1.0	-50.85	281.61	-0.56	-51.41
CC(CN(C)C(=O)C[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004613469	1	34	-1.0	-50.85	281.67	-0.54	-51.39
CC(CN(C)C(=O)CC1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004613470	0	34	-1.0	-48.88	299.66	3.75	-45.13
CC(CN(C)C(=O)CC1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004613470	1	34	-1.0	-48.86	299.72	3.77	-45.09
CC(C)C(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=NN=CN1	REAL250004613471	0	40	-1.0	-44.26	320.81	3.92	-40.34
CC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=NN=CN1	REAL250004613471	1	40	-1.0	-44.31	320.87	3.93	-40.38
CC(CN(C)C(=O)COC1CCCOC1)C1=N[N-]N=N1	REAL250004613472	0	40	-1.0	-49.87	317.98	2.76	-47.11
CC(CN(C)C(=O)COC1CCCOC1)C1=NN=N[N-]1	REAL250004613472	1	40	-1.0	-49.89	318.04	2.78	-47.11
CC(CN(C)C(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004613473	0	47	-1.0	-46.66	343.67	5.85	-40.81
CC(CN(C)C(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004613473	1	47	-1.0	-46.70	343.73	5.87	-40.83
CC(C)NC(=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613474	0	35	-1.0	-40.55	288.03	0.67	-39.88
CC(C)NC(=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613474	1	35	-1.0	-40.57	288.09	0.69	-39.88
CC1=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004613475	0	41	-1.0	-49.26	334.26	4.05	-45.21
CC1=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004613475	1	41	-1.0	-49.31	334.31	4.07	-45.24
CC(CN(C)C(=O)C1=NN(C)C(F)=C1)C1=NN=N[N-]1	REAL250004613476	0	32	-1.0	-45.09	275.42	2.49	-42.60
CC(CN(C)C(=O)C1=NN(C)C(F)=C1)C1=N[N-]N=N1	REAL250004613476	1	32	-1.0	-45.07	275.37	2.47	-42.60
CC(CN(C)C(=O)C1C(C)(C)C1(F)F)C1=N[N-]N=N1	REAL250004613477	0	35	-1.0	-42.05	286.43	4.17	-37.88
CC(CN(C)C(=O)C1C(C)(C)C1(F)F)C1=NN=N[N-]1	REAL250004613477	1	35	-1.0	-42.05	286.49	4.18	-37.87
CC(CN(C)C(=O)[C@]12CCC[C@H]1CC(=O)C2)C1=N[N-]N=N1	REAL250004613478	0	41	-1.0	-54.06	307.71	4.22	-49.84
CC(CN(C)C(=O)[C@]12CCC[C@H]1CC(=O)C2)C1=NN=N[N-]1	REAL250004613478	1	41	-1.0	-54.10	307.76	4.24	-49.86
CC(CN(C)C(=O)C(F)CC1CC1)C1=N[N-]N=N1	REAL250004613479	0	35	-1.0	-45.92	288.98	4.47	-41.45
CC(CN(C)C(=O)C(F)CC1CC1)C1=NN=N[N-]1	REAL250004613479	1	35	-1.0	-45.94	289.04	4.49	-41.45
CC(CN(C)C(=O)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004613480	0	30	-1.0	-43.61	271.79	3.00	-40.61
CC(CN(C)C(=O)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004613480	1	30	-1.0	-43.62	271.74	2.99	-40.63
CC(CN(C)C(=O)C(C)S(N)(=O)=O)C1=N[N-]N=N1	REAL250004613481	0	33	-1.0	-59.99	282.70	-2.52	-62.51
CC(CN(C)C(=O)C(C)S(N)(=O)=O)C1=NN=N[N-]1	REAL250004613481	1	33	-1.0	-59.97	282.76	-2.51	-62.48
CC1=CNC(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613482	0	36	-1.0	-48.01	303.84	3.14	-44.87
CC1=CNC(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613482	1	36	-1.0	-48.02	303.90	3.16	-44.86
CC(CN(C)C(=O)C1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL250004613483	0	35	-1.0	-54.04	293.53	4.93	-49.11
CC(CN(C)C(=O)C1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL250004613483	1	35	-1.0	-54.01	293.59	4.95	-49.06
CC(CN(C)C(=O)C(O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004613484	0	45	-1.0	-45.71	328.33	3.60	-42.11
CC(CN(C)C(=O)C(O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004613484	1	45	-1.0	-45.69	328.39	3.62	-42.07
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1CC	REAL250004613485	0	41	-1.0	-46.94	322.47	3.72	-43.22
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1CC	REAL250004613485	1	41	-1.0	-46.91	322.53	3.74	-43.17
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1CC1	REAL250004613486	0	41	-1.0	-46.15	315.85	5.55	-40.60
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004613486	1	41	-1.0	-46.13	315.91	5.56	-40.57
CC(CN(C)C(=O)C1=CC2(C1)CCOCC2)C1=N[N-]N=N1	REAL250004613487	0	41	-1.0	-43.96	320.67	3.81	-40.15
CC(CN(C)C(=O)C1=CC2(C1)CCOCC2)C1=NN=N[N-]1	REAL250004613487	1	41	-1.0	-43.93	320.73	3.83	-40.10
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1C=CC=N1	REAL250004613488	0	38	-1.0	-42.45	309.63	3.44	-39.01
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1C=CC=N1	REAL250004613488	1	38	-1.0	-42.41	309.58	3.42	-38.99
CC(CN(C)C(=O)C1CC2(CC(=O)N2)C1)C1=N[N-]N=N1	REAL250004613489	0	37	-1.0	-48.94	301.62	0.40	-48.54
CC(CN(C)C(=O)C1CC2(CC(=O)N2)C1)C1=NN=N[N-]1	REAL250004613489	1	37	-1.0	-48.92	301.68	0.41	-48.51
CC(CN(C)C(=O)C1CCC2=NN=NN2C1)C1=N[N-]N=N1	REAL250004613490	0	37	-1.0	-45.62	294.48	1.86	-43.76
CC(CN(C)C(=O)C1CCC2=NN=NN2C1)C1=NN=N[N-]1	REAL250004613490	1	37	-1.0	-45.62	294.54	1.87	-43.75
CC(CN(C)C(=O)CCOC1CC1)C1=N[N-]N=N1	REAL250004613491	0	36	-1.0	-45.20	296.31	2.95	-42.25
CC(CN(C)C(=O)CCOC1CC1)C1=NN=N[N-]1	REAL250004613491	1	36	-1.0	-45.18	296.36	2.96	-42.22
COCN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613492	0	36	-1.0	-44.85	295.26	0.46	-44.39
COCN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613492	1	36	-1.0	-44.79	295.20	0.45	-44.34
CC1=C(C)NC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613493	0	41	-1.0	-47.70	332.88	3.72	-43.98
CC1=C(C)NC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613493	1	41	-1.0	-47.70	332.94	3.73	-43.97
CC(CN(C)C(=O)CN1N=NN=C1C1CC1)C1=N[N-]N=N1	REAL250004613494	0	37	-1.0	-58.14	312.20	2.96	-55.18
CC(CN(C)C(=O)CN1N=NN=C1C1CC1)C1=NN=N[N-]1	REAL250004613494	1	37	-1.0	-58.16	312.25	2.98	-55.18
CC(CN(C)C(=O)C1=C(N)N(CCO)N=C1)C1=NN=N[N-]1	REAL250004613495	0	38	-1.0	-46.67	313.29	-1.75	-48.42
CC(CN(C)C(=O)C1=C(N)N(CCO)N=C1)C1=N[N-]N=N1	REAL250004613495	1	38	-1.0	-46.63	313.23	-1.77	-48.40
CCC1=NC(N)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613496	0	38	-1.0	-44.73	310.24	2.75	-41.98
CCC1=NC(N)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613496	1	38	-1.0	-44.72	310.30	2.77	-41.95
CCN1C=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613497	0	35	-1.0	-49.56	305.43	3.91	-45.65
CCN1C=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613497	1	35	-1.0	-49.57	305.37	3.90	-45.67
CC(CN(C)C(=O)[C@@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004613498	0	37	-1.0	-45.31	295.80	2.28	-43.03
CC(CN(C)C(=O)[C@@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004613498	1	37	-1.0	-45.36	295.85	2.29	-43.07
CC(CN(C)C(=O)C=CC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004613499	0	34	-1.0	-46.44	291.84	3.90	-42.54
CC(CN(C)C(=O)C=CC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004613499	1	34	-1.0	-46.41	291.90	3.91	-42.50
CC(C)C1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CO1	REAL250004613500	0	37	-1.0	-41.60	305.36	2.08	-39.52
CC(C)C1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CO1	REAL250004613500	1	37	-1.0	-41.59	305.41	2.10	-39.49
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCOCC1	REAL250004613501	0	45	-1.0	-47.50	342.05	3.94	-43.56
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCOCC1	REAL250004613501	1	45	-1.0	-47.48	342.11	3.96	-43.52
CC(CN(C)C(=O)[C@H]1C[C@](O)(C#N)C1)C1=N[N-]N=N1	REAL250004613502	0	34	-1.0	-44.62	286.86	0.21	-44.41
CC(CN(C)C(=O)[C@H]1C[C@](O)(C#N)C1)C1=NN=N[N-]1	REAL250004613502	1	34	-1.0	-44.65	286.92	0.23	-44.42
CC(CN(C)C(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004613503	0	42	-1.0	-48.46	329.65	2.10	-46.36
CC(CN(C)C(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004613503	1	42	-1.0	-48.44	329.71	2.12	-46.32
CC(CN(C)C(=O)C1(F)CCCOC1)C1=N[N-]N=N1	REAL250004613504	0	36	-1.0	-40.23	282.01	2.05	-38.18
CC(CN(C)C(=O)C1(F)CCCOC1)C1=NN=N[N-]1	REAL250004613504	1	36	-1.0	-40.21	282.07	2.06	-38.15
C=CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC=CC1	REAL250004613505	0	40	-1.0	-48.54	306.81	5.11	-43.43
C=CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC=CC1	REAL250004613505	1	40	-1.0	-48.54	306.87	5.13	-43.41
CC(CN(C)C(=O)C1=CON=C1C1CCC1)C1=N[N-]N=N1	REAL250004613506	0	38	-1.0	-47.46	310.73	4.35	-43.11
CC(CN(C)C(=O)C1=CON=C1C1CCC1)C1=NN=N[N-]1	REAL250004613506	1	38	-1.0	-47.45	310.79	4.36	-43.09
CC(CN(C)C(=O)C(F)CC1CCCC1)C1=N[N-]N=N1	REAL250004613507	0	41	-1.0	-45.94	319.06	5.45	-40.49
CC(CN(C)C(=O)C(F)CC1CCCC1)C1=NN=N[N-]1	REAL250004613507	1	41	-1.0	-45.96	319.12	5.47	-40.49
CC(CN(C)C(=O)C1CC2(C1)CCCO2)C1=N[N-]N=N1	REAL250004613508	0	40	-1.0	-45.25	305.83	3.30	-41.95
CC(CN(C)C(=O)C1CC2(C1)CCCO2)C1=NN=N[N-]1	REAL250004613508	1	40	-1.0	-45.29	305.89	3.31	-41.98
CC(CN(C)C(=O)C1(C2CCCO2)CC1)C1=N[N-]N=N1	REAL250004613509	0	40	-1.0	-47.18	310.26	3.58	-43.60
CC(CN(C)C(=O)C1(C2CCCO2)CC1)C1=NN=N[N-]1	REAL250004613509	1	40	-1.0	-47.19	310.32	3.60	-43.59
CC(CN(C)C(=O)C1=CC(C(N)=O)=NO1)C1=NN=N[N-]1	REAL250004613510	0	32	-1.0	-44.73	281.42	-1.56	-46.29
CC(CN(C)C(=O)C1=CC(C(N)=O)=NO1)C1=N[N-]N=N1	REAL250004613510	1	32	-1.0	-44.76	281.37	-1.57	-46.33
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CCC1	REAL250004613511	0	40	-1.0	-45.29	309.58	4.10	-41.19
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CCC1	REAL250004613511	1	40	-1.0	-45.28	309.64	4.12	-41.16
COC1C[C@@H]2CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)C[C@H]12	REAL250004613512	0	43	-1.0	-44.12	329.09	3.95	-40.17
COC1C[C@@H]2CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)C[C@H]12	REAL250004613512	1	43	-1.0	-44.14	329.14	3.96	-40.18
CC1=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004613513	0	38	-1.0	-47.37	315.42	5.27	-42.10
CC1=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004613513	1	38	-1.0	-47.36	315.48	5.28	-42.08
CC(CN(C)C(=O)[C@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004613514	0	39	-1.0	-44.91	312.99	6.04	-38.87
CC(CN(C)C(=O)[C@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004613514	1	39	-1.0	-44.91	313.05	6.06	-38.85
CC(CN(C)C(=O)C1=C2C=CN=C2NC=C1)C1=N[N-]N=N1	REAL250004613515	0	35	-1.0	-56.08	297.44	3.67	-52.41
CC(CN(C)C(=O)C1=C2C=CNC2=NC=C1)C1=N[N-]N=N1	REAL250004613515	1	35	-1.0	-47.81	288.52	3.31	-44.50
CC(CN(C)C(=O)C1=C2C=CN=C2NC=C1)C1=NN=N[N-]1	REAL250004613515	1	35	-1.0	-56.09	297.49	3.69	-52.40
CC(CN(C)C(=O)C1=C2C=CNC2=NC=C1)C1=NN=N[N-]1	REAL250004613515	1	35	-1.0	-47.83	288.58	3.32	-44.51
CC(CN(C)C(=O)C1CCC2(CCC2)CC1)C1=N[N-]N=N1	REAL250004613516	0	45	-1.0	-46.60	330.50	6.02	-40.58
CC(CN(C)C(=O)C1CCC2(CCC2)CC1)C1=NN=N[N-]1	REAL250004613516	1	45	-1.0	-46.61	330.55	6.04	-40.57
CC(CN(C)C(=O)C1(C)CC(F)C1)C1=N[N-]N=N1	REAL250004613517	0	35	-1.0	-45.34	274.37	3.63	-41.71
CC(CN(C)C(=O)C1(C)CC(F)C1)C1=NN=N[N-]1	REAL250004613517	1	35	-1.0	-45.28	274.43	3.65	-41.63
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=N1	REAL250004613518	0	38	-1.0	-44.50	312.70	1.40	-43.10
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=N1	REAL250004613518	1	38	-1.0	-44.48	312.75	1.41	-43.07
CC(CN(C)C(=O)C1(C)CCC(C)C1)C1=N[N-]N=N1	REAL250004613519	0	41	-1.0	-43.61	303.31	4.69	-38.92
CC(CN(C)C(=O)C1(C)CCC(C)C1)C1=NN=N[N-]1	REAL250004613519	1	41	-1.0	-43.60	303.37	4.71	-38.89
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=CO1	REAL250004613520	0	38	-1.0	-43.71	314.69	4.53	-39.18
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=CO1	REAL250004613520	1	38	-1.0	-43.74	314.75	4.55	-39.19
CC(CN(C)C(=O)C12CCCC1CCC2)C1=N[N-]N=N1	REAL250004613521	0	42	-1.0	-44.37	305.46	5.13	-39.24
CC(CN(C)C(=O)C12CCCC1CCC2)C1=NN=N[N-]1	REAL250004613521	1	42	-1.0	-44.41	305.52	5.14	-39.27
COCCC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613522	0	44	-1.0	-45.45	331.50	3.57	-41.88
COCCC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613522	1	44	-1.0	-45.47	331.55	3.58	-41.89
CC(CN(C)C(=O)C1=COC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004613523	0	31	-1.0	-43.46	276.19	0.98	-42.48
CC(CN(C)C(=O)C1=COC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004613523	1	31	-1.0	-43.46	276.25	1.00	-42.46
CCSC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613524	0	35	-1.0	-49.14	291.41	3.94	-45.20
CCSC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613524	1	35	-1.0	-49.11	291.46	3.96	-45.15
CC(CN(C)C(=O)CC1COCCO1)C1=N[N-]N=N1	REAL250004613525	0	37	-1.0	-47.40	295.18	2.01	-45.39
CC(CN(C)C(=O)CC1COCCO1)C1=NN=N[N-]1	REAL250004613525	1	37	-1.0	-47.49	295.24	2.03	-45.46
CCC1(C)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613526	0	41	-1.0	-46.40	313.15	5.05	-41.35
CCC1(C)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613526	1	41	-1.0	-46.36	313.21	5.07	-41.29
CC(CN(C)C(=O)CC(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004613527	0	40	-1.0	-42.63	307.35	4.57	-38.06
CC(CN(C)C(=O)CC(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004613527	1	40	-1.0	-42.63	307.41	4.59	-38.04
CC(CN(C)C(=O)CC(C)C(F)F)C1=N[N-]N=N1	REAL250004613528	0	34	-1.0	-47.36	279.89	3.73	-43.63
CC(CN(C)C(=O)CC(C)C(F)F)C1=NN=N[N-]1	REAL250004613528	1	34	-1.0	-47.36	279.95	3.74	-43.62
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)C=N1	REAL250004613529	0	37	-1.0	-42.18	298.96	3.52	-38.66
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)C=N1	REAL250004613529	1	37	-1.0	-42.16	299.01	3.54	-38.62
CC(CN(C)C(=O)C1CCCC2=CC=NN21)C1=N[N-]N=N1	REAL250004613530	0	39	-1.0	-47.51	306.23	3.99	-43.52
CC(CN(C)C(=O)C1CCCC2=CC=NN21)C1=NN=N[N-]1	REAL250004613530	1	39	-1.0	-47.49	306.29	4.01	-43.48
CC(CN(C)C(=O)C1=CN=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004613531	0	38	-1.0	-46.35	304.33	4.06	-42.29
CC(CN(C)C(=O)C1=CN=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004613531	1	38	-1.0	-46.32	304.39	4.08	-42.24
CC(CN(C)C(=O)CC1OCCC1(C)C)C1=N[N-]N=N1	REAL250004613532	0	42	-1.0	-51.09	320.61	4.03	-47.06
CC(CN(C)C(=O)CC1OCCC1(C)C)C1=NN=N[N-]1	REAL250004613532	1	42	-1.0	-51.10	320.66	4.05	-47.05
CC1=NN=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)N1C	REAL250004613533	0	40	-1.0	-53.04	327.36	4.74	-48.30
CC1=NN=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)N1C	REAL250004613533	1	40	-1.0	-53.05	327.41	4.75	-48.30
CCC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004613534	0	39	-1.0	-40.76	315.71	3.27	-37.49
CCC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004613534	1	39	-1.0	-40.77	315.77	3.28	-37.49
CC(CN(C)C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL250004613535	0	43	-1.0	-44.13	317.92	3.71	-40.42
CC(CN(C)C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL250004613535	1	43	-1.0	-44.16	317.97	3.73	-40.43
CC(CN(C)C(=O)C1=CC=NC2=NC=CN=C12)C1=NN=N[N-]1	REAL250004613536	0	35	-1.0	-52.35	295.95	1.80	-50.55
CC(CN(C)C(=O)C1=CC=NC2=NC=CN=C12)C1=N[N-]N=N1	REAL250004613536	1	35	-1.0	-52.30	295.89	1.79	-50.51
CC(CN(C)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004613537	0	39	-1.0	-50.20	303.67	5.07	-45.13
CC(CN(C)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004613537	1	39	-1.0	-50.18	303.72	5.09	-45.09
CC1=NC=NC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613538	0	36	-1.0	-41.01	294.52	3.11	-37.90
CC1=NC=NC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613538	1	36	-1.0	-40.99	294.58	3.12	-37.87
CC1=COC(C(C)C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613539	0	41	-1.0	-43.87	335.25	5.14	-38.73
CC1=COC(C(C)C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613539	1	41	-1.0	-43.84	335.31	5.16	-38.68
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NC(C)=N1	REAL250004613540	0	36	-1.0	-41.17	298.68	3.64	-37.53
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NC(C)=N1	REAL250004613540	1	36	-1.0	-41.18	298.74	3.66	-37.52
CC(CN(C)C(=O)C1(C)CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004613541	0	35	-1.0	-51.40	284.69	-0.33	-51.73
CC(CN(C)C(=O)C1(C)CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004613541	1	35	-1.0	-51.35	284.75	-0.31	-51.66
CC(CN(C)C(=O)C1=CN=NN1C1CC1)C1=NN=N[N-]1	REAL250004613542	0	35	-1.0	-41.75	287.39	2.05	-39.70
CC(CN(C)C(=O)C1=CN=NN1C1CC1)C1=N[N-]N=N1	REAL250004613542	1	35	-1.0	-41.75	287.33	2.04	-39.71
CC(CN(C)C(=O)C1(C2CCCCO2)CC1)C1=N[N-]N=N1	REAL250004613543	0	43	-1.0	-44.46	328.23	4.43	-40.03
CC(CN(C)C(=O)C1(C2CCCCO2)CC1)C1=NN=N[N-]1	REAL250004613543	1	43	-1.0	-44.49	328.28	4.45	-40.04
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NS1	REAL250004613544	0	31	-1.0	-40.85	263.32	2.45	-38.40
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NS1	REAL250004613544	1	31	-1.0	-40.85	263.38	2.47	-38.38
CC(CN(C)C(=O)C=CC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004613545	0	34	-1.0	-47.64	291.75	2.24	-45.40
CC(CN(C)C(=O)C=CC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004613545	1	34	-1.0	-47.65	291.80	2.26	-45.39
CCCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004613546	0	37	-1.0	-45.52	315.80	4.22	-41.30
CCCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004613546	1	37	-1.0	-45.52	315.86	4.24	-41.28
CC1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1Cl	REAL250004613547	0	35	-1.0	-41.65	310.32	3.09	-38.56
CC1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1Cl	REAL250004613547	1	35	-1.0	-41.64	310.38	3.10	-38.54
CC(CN(C)C(=O)C1=CC=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL250004613548	0	42	-1.0	-43.34	329.48	4.84	-38.50
CC(CN(C)C(=O)C1=CC=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL250004613548	1	42	-1.0	-43.37	329.54	4.85	-38.52
CC(CN(C)C(=O)C1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004613549	0	31	-1.0	-40.28	269.98	2.28	-38.00
CC(CN(C)C(=O)C1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004613549	1	31	-1.0	-40.23	269.92	2.27	-37.96
COC(=O)C(OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613550	0	35	-1.0	-51.31	292.10	2.61	-48.70
COC(=O)C(OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613550	1	35	-1.0	-51.31	292.15	2.63	-48.68
COC(=O)[C@@H]1C[C@]1(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613551	0	38	-1.0	-55.49	312.56	3.90	-51.59
COC(=O)[C@@H]1C[C@]1(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613551	1	38	-1.0	-55.53	312.62	3.91	-51.62
CC(CN(C)C(=O)C1=CNC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004613552	0	41	-1.0	-44.47	328.36	4.12	-40.35
CC(CN(C)C(=O)C1=CNC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004613552	1	41	-1.0	-44.47	328.42	4.14	-40.33
CC(CN(C)C(=O)[C@@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004613553	0	39	-1.0	-48.60	313.22	6.10	-42.50
CC(CN(C)C(=O)[C@@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004613553	1	39	-1.0	-48.58	313.28	6.11	-42.47
CCN1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL250004613554	0	38	-1.0	-51.72	317.83	4.03	-47.69
CCN1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL250004613554	1	38	-1.0	-51.75	317.89	4.04	-47.71
CC(CN(C)C(=O)C1=CC=C2CCOC2=C1)C1=N[N-]N=N1	REAL250004613555	0	37	-1.0	-51.71	297.86	3.87	-47.84
CC(CN(C)C(=O)C1=CC=C2CCOC2=C1)C1=NN=N[N-]1	REAL250004613555	1	37	-1.0	-51.73	297.92	3.89	-47.84
COC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004613556	0	35	-1.0	-50.06	293.52	2.75	-47.31
COC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004613556	1	35	-1.0	-50.03	293.47	2.74	-47.29
CC(CN(C)C(=O)C1=NN(CC#N)C=C1)C1=NN=N[N-]1	REAL250004613557	0	33	-1.0	-54.43	289.56	3.08	-51.35
CC(CN(C)C(=O)C1=NN(CC#N)C=C1)C1=N[N-]N=N1	REAL250004613557	1	33	-1.0	-54.42	289.51	3.06	-51.36
CC(CN(C)C(=O)CC1C[C@@H]2COC[C@H]12)C1=N[N-]N=N1	REAL250004613558	0	40	-1.0	-46.63	307.49	3.32	-43.31
CC(CN(C)C(=O)CC1C[C@@H]2COC[C@H]12)C1=NN=N[N-]1	REAL250004613558	1	40	-1.0	-46.63	307.55	3.33	-43.30
CC(CN(C)C(=O)CN1N=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004613559	0	37	-1.0	-55.38	314.26	2.59	-52.79
CC(CN(C)C(=O)CN1N=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004613559	1	37	-1.0	-55.32	314.32	2.61	-52.71
CCN1C=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613560	0	34	-1.0	-49.81	285.05	4.27	-45.54
CCN1C=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613560	1	34	-1.0	-49.77	284.99	4.25	-45.52
CC(CN(C)C(=O)C1=CC=NN1CC#N)C1=NN=N[N-]1	REAL250004613561	0	33	-1.0	-46.68	282.05	2.44	-44.24
CC(CN(C)C(=O)C1=CC=NN1CC#N)C1=N[N-]N=N1	REAL250004613561	1	33	-1.0	-46.68	282.00	2.42	-44.26
CC(C)CC(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613562	0	37	-1.0	-45.96	296.19	4.19	-41.77
CC(C)CC(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613562	1	37	-1.0	-45.95	296.24	4.19	-41.76
C=C(Cl)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613563	0	32	-1.0	-45.37	281.74	3.98	-41.39
C=C(Cl)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613563	1	32	-1.0	-45.42	281.80	3.99	-41.43
CC(CC1CCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613564	0	41	-1.0	-35.05	305.34	4.83	-30.22
CC(CC1CCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613564	1	41	-1.0	-35.08	305.40	4.85	-30.23
CC(CN(C)C(=O)CCCC1CCC1)C1=N[N-]N=N1	REAL250004613565	0	41	-1.0	-46.96	321.65	5.76	-41.20
CC(CN(C)C(=O)CCCC1CCC1)C1=NN=N[N-]1	REAL250004613565	1	41	-1.0	-46.98	321.71	5.78	-41.20
CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004613566	0	37	-1.0	-42.45	292.59	2.93	-39.52
CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004613566	1	37	-1.0	-42.42	292.65	2.94	-39.48
CC(CN(C)C(=O)C1=C(N)C=CC=C1F)C1=N[N-]N=N1	REAL250004613567	0	34	-1.0	-48.74	289.42	2.18	-46.56
CC(CN(C)C(=O)C1=C(N)C=CC=C1F)C1=NN=N[N-]1	REAL250004613567	1	34	-1.0	-48.73	289.48	2.19	-46.54
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1N)C1=N[N-]N=N1	REAL250004613568	0	34	-1.0	-40.77	291.57	2.66	-38.11
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1N)C1=NN=N[N-]1	REAL250004613568	1	34	-1.0	-40.82	291.63	2.68	-38.14
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1N)C1=N[N-]N=N1	REAL250004613569	0	34	-1.0	-41.84	289.24	2.72	-39.12
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1N)C1=NN=N[N-]1	REAL250004613569	1	34	-1.0	-41.84	289.30	2.74	-39.10
CC(CN(C)C(=O)C1=CC(F)=C(F)C=C1N)C1=N[N-]N=N1	REAL250004613570	0	34	-1.0	-39.87	287.29	2.27	-37.60
CC(CN(C)C(=O)C1=CC(F)=C(F)C=C1N)C1=NN=N[N-]1	REAL250004613570	1	34	-1.0	-39.89	287.35	2.28	-37.61
CC(CN(C)C(=O)C1=CC=CC(F)=C1N)C1=N[N-]N=N1	REAL250004613571	0	34	-1.0	-42.49	280.32	2.26	-40.23
CC(CN(C)C(=O)C1=CC=CC(F)=C1N)C1=NN=N[N-]1	REAL250004613571	1	34	-1.0	-42.45	280.37	2.27	-40.18
CC1=CC=C(F)C(N)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613572	0	37	-1.0	-44.46	308.08	2.73	-41.73
CC1=CC=C(F)C(N)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613572	1	37	-1.0	-44.45	308.13	2.74	-41.71
CC1=CC(F)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004613573	0	37	-1.0	-43.23	302.29	2.97	-40.26
CC1=CC(F)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004613573	1	37	-1.0	-43.19	302.35	2.99	-40.20
CC1=C(F)C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004613574	0	37	-1.0	-40.77	297.81	2.95	-37.82
CC1=C(F)C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004613574	1	37	-1.0	-40.77	297.87	2.96	-37.81
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(N)C=C1F	REAL250004613575	0	37	-1.0	-40.61	301.49	2.85	-37.76
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(N)C=C1F	REAL250004613575	1	37	-1.0	-40.62	301.55	2.87	-37.75
CC1=C(F)C=CC(N)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613576	0	37	-1.0	-45.23	307.92	2.67	-42.56
CC1=C(F)C=CC(N)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613576	1	37	-1.0	-45.25	307.98	2.69	-42.56
CC(CN(C)C(=O)CC1=CC=C(O)C=N1)C1=N[N-]N=N1	REAL250004613577	0	35	-1.0	-55.21	295.01	0.62	-54.59
CC(CN(C)C(=O)CC1=CC=C(O)C=N1)C1=NN=N[N-]1	REAL250004613577	1	35	-1.0	-55.25	295.07	0.63	-54.62
C=CN1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613578	0	33	-1.0	-43.89	273.22	2.89	-41.00
C=CN1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613578	1	33	-1.0	-43.90	273.27	2.91	-40.99
CC(CN(C)C(=O)C(=O)NC1=NC=CN1)C1=NN=N[N-]1	REAL250004613580	0	33	-1.0	-42.27	280.18	2.17	-40.10
CC(CN(C)C(=O)C(=O)NC1=NC=CN1)C1=N[N-]N=N1	REAL250004613580	1	33	-1.0	-42.24	280.12	2.16	-40.08
CC(CN(C)C(=O)C12CC(C1)CN2C1CC1)C1=N[N-]N=N1	REAL250004613581	1	42	-1.0	-42.16	316.11	4.43	-37.73
CC(CN(C)C(=O)C12CC(C1)CN2C1CC1)C1=NN=N[N-]1	REAL250004613581	1	42	-1.0	-42.15	316.16	4.45	-37.70
CC(CN(C)C(=O)C(F)=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004613582	0	33	-1.0	-48.88	283.93	3.57	-45.31
CC(CN(C)C(=O)C(F)=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004613582	1	33	-1.0	-48.91	283.99	3.59	-45.32
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004613583	0	34	-1.0	-53.95	284.11	2.91	-51.04
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004613583	1	34	-1.0	-53.93	284.16	2.93	-51.00
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004613584	0	36	-1.0	-47.80	292.02	3.78	-44.02
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004613584	1	36	-1.0	-47.79	292.08	3.80	-43.99
CC(CN(C)C(=O)CC1CC(=O)NC(=O)C1)C1=N[N-]N=N1	REAL250004613585	0	38	-1.0	-56.53	309.50	0.66	-55.87
CC(CN(C)C(=O)CC1CC(=O)NC(=O)C1)C1=NN=N[N-]1	REAL250004613585	1	38	-1.0	-56.54	309.56	0.67	-55.87
CC(CN(C)C(=O)C1=CC(=O)NN1C)C1=N[N-]N=N1	REAL250004613586	0	33	-1.0	-44.70	272.97	-0.07	-44.77
CC(CN(C)C(=O)C1=CC(=O)NN1C)C1=NN=N[N-]1	REAL250004613586	1	33	-1.0	-44.74	273.02	-0.06	-44.80
CC(CN(C)C(=O)C1=CC=NC2=NNC=C21)C1=N[N-]N=N1	REAL250004613587	0	34	-1.0	-50.00	283.96	2.07	-47.93
CC(CN(C)C(=O)C1=CC=NC2=NNC=C21)C1=NN=N[N-]1	REAL250004613587	1	34	-1.0	-50.03	284.02	2.08	-47.95
CC(CN(C)C(=O)CC1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004613588	0	36	-1.0	-47.89	306.48	2.39	-45.50
CC(CN(C)C(=O)CC1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004613588	1	36	-1.0	-47.87	306.53	2.41	-45.46
CC(CN(C)C(=O)C1=NNC(=S)N1C)C1=N[N-]N=N1	REAL250004613589	0	32	-1.0	-39.83	281.43	3.33	-36.50
CC(CN(C)C(=O)C1=NNC(=S)N1C)C1=NN=N[N-]1	REAL250004613589	1	32	-1.0	-39.83	281.48	3.35	-36.48
CC(CN(C)C(=O)C1=CC2=CNN=C2S1)C1=N[N-]N=N1	REAL250004613590	0	32	-1.0	-46.35	279.26	1.74	-44.61
CC(CN(C)C(=O)C1=CC2=CNN=C2S1)C1=NN=N[N-]1	REAL250004613590	1	32	-1.0	-46.30	279.32	1.76	-44.54
CCC1(C)C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613591	0	39	-1.0	-47.44	306.17	4.97	-42.47
CCC1(C)C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613591	1	39	-1.0	-47.41	306.23	4.98	-42.43
CC(CN(C)C(=O)C[C@@H]1CCC[C@H]1O)C1=N[N-]N=N1	REAL250004613592	0	39	-1.0	-45.00	304.71	1.41	-43.59
CC(CN(C)C(=O)C[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004613592	1	39	-1.0	-44.98	304.77	1.43	-43.55
CC(CN(C)C(=O)C[C@@H]1COC[C@H]1O)C1=N[N-]N=N1	REAL250004613593	0	37	-1.0	-52.66	295.49	-1.17	-53.83
CC(CN(C)C(=O)C[C@@H]1COC[C@H]1O)C1=NN=N[N-]1	REAL250004613593	1	37	-1.0	-52.66	295.55	-1.15	-53.81
CC1=NC=C2C=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN21	REAL250004613594	1	38	-1.0	-46.34	319.97	5.56	-40.78
C#CC[C@]1(O)C[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613595	0	38	-1.0	-52.08	310.86	3.18	-48.90
C#CC[C@]1(O)C[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613595	1	38	-1.0	-52.11	310.91	3.19	-48.92
CC(CN(C)C(=O)CC1CCC(=O)C1)C1=N[N-]N=N1	REAL250004613596	0	37	-1.0	-53.44	296.72	3.86	-49.58
CC(CN(C)C(=O)CC1CCC(=O)C1)C1=NN=N[N-]1	REAL250004613596	1	37	-1.0	-53.46	296.78	3.87	-49.59
CC(CN(C)C(=O)C1(O)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004613597	0	39	-1.0	-43.82	303.48	1.66	-42.16
CC(CN(C)C(=O)C1(O)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004613597	1	39	-1.0	-43.83	303.53	1.67	-42.16
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1C=CN=C1	REAL250004613598	0	38	-1.0	-51.58	304.82	4.89	-46.69
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1C=CN=C1	REAL250004613598	1	38	-1.0	-51.60	304.87	4.90	-46.70
CCC(F)(F)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613599	0	34	-1.0	-53.62	282.21	3.79	-49.83
CCC(F)(F)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613599	1	34	-1.0	-53.65	282.27	3.80	-49.85
CC(CN(C)C(=O)C1CCC2(C1)N=N2)C1=N[N-]N=N1	REAL250004613600	0	35	-1.0	-42.93	282.46	-1.44	-44.37
CC(CN(C)C(=O)C1CCC2(C1)N=N2)C1=NN=N[N-]1	REAL250004613600	1	35	-1.0	-42.91	282.52	-1.42	-44.33
CC(CN(C)C(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=NN=N[N-]1	REAL250004613601	0	38	-1.0	-49.20	309.57	6.10	-43.10
CC(CN(C)C(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=N[N-]N=N1	REAL250004613601	1	38	-1.0	-49.25	309.51	6.08	-43.17
CCN1CCOCC1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613602	1	44	-1.0	-44.71	330.90	1.02	-43.69
CCN1CCOCC1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613602	1	44	-1.0	-44.70	330.96	1.04	-43.66
CC(CN(C)C(=O)C1=CN=C2OC=CC2=C1)C1=NN=N[N-]1	REAL250004613603	0	34	-1.0	-46.25	286.20	1.34	-44.91
CC(CN(C)C(=O)C1=CN=C2OC=CC2=C1)C1=N[N-]N=N1	REAL250004613603	1	34	-1.0	-46.25	286.14	1.33	-44.92
C=CCC(C)(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613604	0	41	-1.0	-45.54	312.76	5.11	-40.43
C=CCC(C)(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613604	1	41	-1.0	-45.51	312.81	5.13	-40.38
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)OC	REAL250004613605	0	38	-1.0	-47.47	299.00	3.37	-44.10
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)OC	REAL250004613605	1	38	-1.0	-47.48	299.06	3.37	-44.11
CC(CN(C)C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004613606	0	45	-1.0	-45.94	346.09	4.45	-41.49
CC(CN(C)C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004613606	1	45	-1.0	-45.90	346.15	4.47	-41.43
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C1CCC1	REAL250004613607	0	44	-1.0	-46.44	330.31	5.99	-40.45
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1CCC1	REAL250004613607	1	44	-1.0	-46.45	330.37	6.01	-40.44
CC1=NC=CC=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613608	0	38	-1.0	-49.06	312.23	4.35	-44.71
CC1=NC=CC=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613608	1	38	-1.0	-49.09	312.28	4.37	-44.72
CC1=CN=CC=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613609	0	38	-1.0	-47.98	312.37	4.38	-43.60
CC1=CN=CC=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613609	1	38	-1.0	-48.00	312.43	4.39	-43.61
COC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL250004613610	0	38	-1.0	-43.64	303.15	1.56	-42.08
COC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL250004613610	1	38	-1.0	-43.63	303.20	1.58	-42.05
CC(=CC1=CC=CS1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613611	0	36	-1.0	-47.72	295.16	4.67	-43.05
CC(=CC1=CC=CS1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613611	1	36	-1.0	-47.74	295.22	4.68	-43.06
CC(CN(C)C(=O)C1CC2CCC(C2)C1)C1=N[N-]N=N1	REAL250004613612	0	42	-1.0	-47.70	284.85	5.23	-42.47
CC(CN(C)C(=O)C1CC2CCC(C2)C1)C1=NN=N[N-]1	REAL250004613612	1	42	-1.0	-47.67	284.90	5.24	-42.43
CC(CN(C)C(=O)C1CC(=O)C1(C)C)C1=N[N-]N=N1	REAL250004613613	0	37	-1.0	-42.32	292.41	3.50	-38.82
CC(CN(C)C(=O)C1CC(=O)C1(C)C)C1=NN=N[N-]1	REAL250004613613	1	37	-1.0	-42.30	292.47	3.52	-38.78
CC(C)[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613614	0	38	-1.0	-43.08	302.46	4.85	-38.23
CC(C)[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613614	1	38	-1.0	-43.09	302.52	4.86	-38.23
CCCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC=N1	REAL250004613615	0	37	-1.0	-42.47	302.10	1.36	-41.11
CCCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC=N1	REAL250004613615	1	37	-1.0	-42.44	302.15	1.37	-41.07
CC1=CC=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613616	0	37	-1.0	-48.26	307.11	3.56	-44.70
CC1=CC=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613616	1	37	-1.0	-48.21	307.17	3.57	-44.64
CC(CN(C)C(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=NN=N[N-]1	REAL250004613617	0	38	-1.0	-48.72	305.96	2.65	-46.07
CC(CN(C)C(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=N[N-]N=N1	REAL250004613617	1	38	-1.0	-48.76	305.90	2.64	-46.12
CC(CN(C)C(=O)C1=CNC(Cl)=N1)C1=N[N-]N=N1	REAL250004613618	0	29	-1.0	-42.63	262.75	2.26	-40.37
CC(CN(C)C(=O)C1=CNC(Cl)=N1)C1=NN=N[N-]1	REAL250004613618	1	29	-1.0	-42.61	262.80	2.28	-40.33
C=CC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CCOCC1	REAL250004613619	0	43	-1.0	-42.12	318.30	3.54	-38.58
C=CC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CCOCC1	REAL250004613619	1	43	-1.0	-42.11	318.36	3.55	-38.56
CC(CN(C)C(=O)C1=C2C=CNC2=CN=C1)C1=N[N-]N=N1	REAL250004613620	0	35	-1.0	-51.34	291.11	2.26	-49.08
CC(CN(C)C(=O)C1=C2C=CNC2=CN=C1)C1=NN=N[N-]1	REAL250004613620	1	35	-1.0	-51.34	291.17	2.28	-49.06
CC(CN(C)C(=O)C1(C)CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004613621	0	47	-1.0	-44.15	329.21	5.38	-38.77
CC(CN(C)C(=O)C1(C)CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004613621	1	47	-1.0	-44.18	329.27	5.40	-38.78
CC(CN(C)C(=O)C12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004613622	0	37	-1.0	-45.26	289.63	2.25	-43.01
CC(CN(C)C(=O)C12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004613622	1	37	-1.0	-45.29	289.68	2.27	-43.02
CC(CN(C)C(=O)C12CC(CO1)CCC2)C1=N[N-]N=N1	REAL250004613623	0	40	-1.0	-41.80	296.95	3.43	-38.37
CC(CN(C)C(=O)C12CC(CO1)CCC2)C1=NN=N[N-]1	REAL250004613623	1	40	-1.0	-41.82	297.01	3.45	-38.37
CC(CN(C)C(=O)C12CC(C1)CO2)C1=N[N-]N=N1	REAL250004613624	0	34	-1.0	-44.54	271.26	2.45	-42.09
CC(CN(C)C(=O)C12CC(C1)CO2)C1=NN=N[N-]1	REAL250004613624	1	34	-1.0	-44.53	271.32	2.47	-42.06
CC(CN(C)C(=O)CC1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004613625	0	35	-1.0	-52.30	299.19	2.43	-49.87
CC(CN(C)C(=O)CC1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004613625	1	35	-1.0	-52.25	299.24	2.44	-49.81
CC(CN(C)C(=O)C1=CC=CN2C=NN=C12)C1=NN=N[N-]1	REAL250004613626	0	34	-1.0	-59.51	292.37	5.62	-53.89
CC(CN(C)C(=O)C1=CC=CN2C=NN=C12)C1=N[N-]N=N1	REAL250004613626	1	34	-1.0	-59.56	292.31	5.61	-53.95
CCCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004613627	0	39	-1.0	-47.50	313.52	4.56	-42.94
CCCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004613627	1	39	-1.0	-47.52	313.58	4.58	-42.94
CC(CN(C)C(=O)C12CCOC1CCOC2)C1=N[N-]N=N1	REAL250004613628	0	41	-1.0	-47.92	300.55	1.32	-46.60
CC(CN(C)C(=O)C12CCOC1CCOC2)C1=NN=N[N-]1	REAL250004613628	1	41	-1.0	-47.94	300.61	1.34	-46.60
CC(=O)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004613629	0	43	-1.0	-52.65	318.28	5.75	-46.90
CC(=O)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004613629	1	43	-1.0	-52.61	318.34	5.76	-46.85
CC(CN(C)C(=O)C(C1CC1)C1CCCO1)C1=N[N-]N=N1	REAL250004613630	0	43	-1.0	-50.48	329.12	5.48	-45.00
CC(CN(C)C(=O)C(C1CC1)C1CCCO1)C1=NN=N[N-]1	REAL250004613630	1	43	-1.0	-50.47	329.17	5.49	-44.98
CC(CN(C)C(=O)CC1CCCC(C#N)C1)C1=N[N-]N=N1	REAL250004613631	0	42	-1.0	-58.76	326.68	5.39	-53.37
CC(CN(C)C(=O)CC1CCCC(C#N)C1)C1=NN=N[N-]1	REAL250004613631	1	42	-1.0	-58.75	326.74	5.41	-53.34
CC(CN(C)C(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004613632	0	36	-1.0	-46.88	308.23	3.18	-43.70
CC(CN(C)C(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004613632	1	36	-1.0	-46.92	308.29	3.20	-43.72
CC1=CC=CN2N=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004613633	0	38	-1.0	-50.13	307.94	4.42	-45.71
CC1=CC=CN2N=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004613633	1	38	-1.0	-50.18	307.88	4.40	-45.78
CC(CN(C)C(=O)CC1CC(=O)C1)C1=N[N-]N=N1	REAL250004613634	0	34	-1.0	-51.73	281.06	3.27	-48.46
CC(CN(C)C(=O)CC1CC(=O)C1)C1=NN=N[N-]1	REAL250004613634	1	34	-1.0	-51.74	281.12	3.29	-48.45
CC(CN(C)C(=O)C1=CC=CC2=CN=NN21)C1=NN=N[N-]1	REAL250004613635	0	34	-1.0	-54.68	290.72	2.77	-51.91
CC(CN(C)C(=O)C1=CC=CC2=CN=NN21)C1=N[N-]N=N1	REAL250004613635	1	34	-1.0	-54.64	290.67	2.76	-51.88
COC(=O)C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613636	0	34	-1.0	-54.39	278.69	3.52	-50.87
COC(=O)C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613636	1	34	-1.0	-54.42	278.74	3.53	-50.89
CC(CN(C)C(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL250004613637	0	34	-1.0	-44.34	293.61	4.26	-40.08
CC(CN(C)C(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL250004613637	1	34	-1.0	-44.29	293.56	4.24	-40.05
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL250004613638	0	40	-1.0	-46.67	308.45	5.20	-41.47
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL250004613638	1	40	-1.0	-46.66	308.51	5.21	-41.45
CC(CN(C)C(=O)C1(C(F)F)CCCO1)C1=N[N-]N=N1	REAL250004613639	0	36	-1.0	-40.69	290.32	2.63	-38.06
CC(CN(C)C(=O)C1(C(F)F)CCCO1)C1=NN=N[N-]1	REAL250004613639	1	36	-1.0	-40.67	290.37	2.65	-38.02
CC(CN(C)C(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=N[N-]N=N1	REAL250004613640	0	37	-1.0	-48.26	302.00	3.73	-44.53
CC(CN(C)C(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=NN=N[N-]1	REAL250004613640	1	37	-1.0	-48.25	302.06	3.74	-44.51
CC(CN(C)C(=O)C1(N2C=NC=N2)CC1)C1=NN=N[N-]1	REAL250004613641	0	35	-1.0	-40.52	296.68	4.76	-35.76
CC(CN(C)C(=O)C1(N2C=NC=N2)CC1)C1=N[N-]N=N1	REAL250004613641	1	35	-1.0	-40.56	296.62	4.75	-35.81
CC1=CC=CN=C1C=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613642	0	38	-1.0	-47.43	314.53	4.62	-42.81
CC1=CC=CN=C1C=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613642	1	38	-1.0	-47.40	314.59	4.63	-42.77
CCC1=CSC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613643	0	35	-1.0	-42.84	291.40	4.42	-38.42
CCC1=CSC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613643	1	35	-1.0	-42.80	291.46	4.44	-38.36
CC(C)C1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613644	0	41	-1.0	-46.96	317.49	5.30	-41.66
CC(C)C1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613644	1	41	-1.0	-46.96	317.55	5.31	-41.65
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NNC1=O	REAL250004613645	0	34	-1.0	-41.01	284.46	0.90	-40.11
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NNC1=O	REAL250004613645	1	34	-1.0	-41.03	284.52	0.91	-40.12
CC(CN(C)C(=O)C1=C2C=CC=CN2N=N1)C1=NN=N[N-]1	REAL250004613646	0	34	-1.0	-47.96	286.52	3.09	-44.87
CC(CN(C)C(=O)C1=C2C=CC=CN2N=N1)C1=N[N-]N=N1	REAL250004613646	1	34	-1.0	-47.97	286.47	3.07	-44.90
CC(CN(C)C(=O)CC1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004613647	0	47	-1.0	-46.71	337.87	6.14	-40.57
CC(CN(C)C(=O)CC1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004613647	1	47	-1.0	-46.75	337.92	6.15	-40.60
CC(CN(C)C(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004613648	0	36	-1.0	-46.90	305.62	2.67	-44.23
CC(CN(C)C(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004613648	1	36	-1.0	-46.88	305.56	2.65	-44.23
CC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004613649	0	33	-1.0	-51.88	277.67	3.12	-48.76
CC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004613649	1	33	-1.0	-51.90	277.73	3.13	-48.77
CC(CN(C)C(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL250004613650	0	35	-1.0	-48.74	299.50	3.00	-45.74
CC(CN(C)C(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL250004613650	1	35	-1.0	-48.73	299.43	2.98	-45.75
CC(CN(C)C(=O)C1=CN=CN(C)C1=O)C1=NN=N[N-]1	REAL250004613651	0	34	-1.0	-60.24	291.06	2.85	-57.39
CC(CN(C)C(=O)C1=CN=CN(C)C1=O)C1=N[N-]N=N1	REAL250004613651	1	34	-1.0	-60.24	291.01	2.84	-57.40
CC(CN(C)C(=O)C(C)(C)CC#N)C1=N[N-]N=N1	REAL250004613652	0	35	-1.0	-44.17	277.03	3.04	-41.13
CC(CN(C)C(=O)C(C)(C)CC#N)C1=NN=N[N-]1	REAL250004613652	1	35	-1.0	-44.18	277.09	3.06	-41.12
CC1=CC=C(C=CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004613653	0	42	-1.0	-49.40	342.87	7.11	-42.29
CC1=CC=C(C=CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004613653	1	42	-1.0	-49.34	342.93	7.12	-42.22
CC(CN(C)C(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004613654	0	36	-1.0	-47.65	299.51	5.61	-42.04
CC(CN(C)C(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004613654	1	36	-1.0	-47.66	299.57	5.63	-42.03
CC(CN(C)C(=O)C1CCCN2C=NN=C12)C1=N[N-]N=N1	REAL250004613655	0	38	-1.0	-50.63	300.51	5.06	-45.57
CC(CN(C)C(=O)C1CCCN2C=NN=C12)C1=NN=N[N-]1	REAL250004613655	1	38	-1.0	-50.67	300.57	5.08	-45.59
COC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1C	REAL250004613656	0	38	-1.0	-44.62	308.59	3.74	-40.88
COC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1C	REAL250004613656	1	38	-1.0	-44.63	308.65	3.76	-40.87
CC(CN(C)C(=O)CCC1(C)N=N1)C1=N[N-]N=N1	REAL250004613657	0	34	-1.0	-43.10	284.08	-1.24	-44.34
CC(CN(C)C(=O)CCC1(C)N=N1)C1=NN=N[N-]1	REAL250004613657	1	34	-1.0	-43.12	284.13	-1.23	-44.35
CC(CN(C)C(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004613658	0	33	-1.0	-42.43	285.36	2.19	-40.24
CC(CN(C)C(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004613658	1	33	-1.0	-42.43	285.30	2.17	-40.26
CC(CN(C)C(=O)CC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004613659	0	40	-1.0	-54.22	317.27	5.05	-49.17
CC(CN(C)C(=O)CC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004613659	1	40	-1.0	-54.23	317.33	5.07	-49.16
COC1=CC=C(C#CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004613660	0	38	-1.0	-46.30	327.87	5.10	-41.20
COC1=CC=C(C#CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004613660	1	38	-1.0	-46.28	327.92	5.12	-41.16
CC(CN(C)C(=O)C1=CC2=CN=CN=C2N1)C1=N[N-]N=N1	REAL250004613661	0	34	-1.0	-42.19	284.39	3.72	-38.47
CC(CN(C)C(=O)C1=CC2=CN=CN=C2N1)C1=NN=N[N-]1	REAL250004613661	1	34	-1.0	-42.22	284.44	3.74	-38.48
CC(CN(C)C(=O)CCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004613662	0	42	-1.0	-44.17	332.48	4.64	-39.53
CC(CN(C)C(=O)CCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004613662	1	42	-1.0	-44.19	332.54	4.66	-39.53
CC(CN(C)C(=O)C1=CN=CC(F)=N1)C1=NN=N[N-]1	REAL250004613663	0	30	-1.0	-39.69	260.59	1.43	-38.26
CC(CN(C)C(=O)C1=CN=CC(F)=N1)C1=N[N-]N=N1	REAL250004613663	1	30	-1.0	-39.65	260.53	1.42	-38.23
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCO1	REAL250004613664	0	38	-1.0	-43.05	295.59	3.23	-39.82
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCO1	REAL250004613664	1	38	-1.0	-43.02	295.65	3.25	-39.77
CC1=NC(C#N)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613665	0	35	-1.0	-46.70	299.44	3.22	-43.48
CC1=NC(C#N)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613665	1	35	-1.0	-46.71	299.49	3.24	-43.47
CC(CN(C)C(=O)C1(O)CCCCCC1)C1=N[N-]N=N1	REAL250004613666	0	42	-1.0	-40.71	302.88	2.47	-38.24
CC(CN(C)C(=O)C1(O)CCCCCC1)C1=NN=N[N-]1	REAL250004613666	1	42	-1.0	-40.70	302.93	2.49	-38.21
CC(CN(C)C(=O)C1=CC(C2CC2)=CC=N1)C1=N[N-]N=N1	REAL250004613667	0	38	-1.0	-46.90	309.84	5.44	-41.46
CC(CN(C)C(=O)C1=CC(C2CC2)=CC=N1)C1=NN=N[N-]1	REAL250004613667	1	38	-1.0	-46.95	309.89	5.45	-41.50
CC(CN(C)C(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004613668	0	40	-1.0	-43.73	326.16	1.91	-41.82
CC(CN(C)C(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004613668	1	40	-1.0	-43.68	326.10	1.89	-41.79
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004613669	0	37	-1.0	-48.52	300.62	5.86	-42.66
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004613669	1	37	-1.0	-48.53	300.68	5.88	-42.65
COCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC=CCC1	REAL250004613670	0	43	-1.0	-46.37	321.30	3.79	-42.58
COCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC=CCC1	REAL250004613670	1	43	-1.0	-46.40	321.36	3.80	-42.60
CC(CN(C)C(=O)C12CC(C)(C1)CO2)C1=N[N-]N=N1	REAL250004613671	0	37	-1.0	-44.12	293.21	2.96	-41.16
CC(CN(C)C(=O)C12CC(C)(C1)CO2)C1=NN=N[N-]1	REAL250004613671	1	37	-1.0	-44.11	293.27	2.97	-41.14
CC(CN(C)C(=O)C1(C2CC2)CCCO1)C1=N[N-]N=N1	REAL250004613672	0	40	-1.0	-51.20	306.42	4.47	-46.73
CC(CN(C)C(=O)C1(C2CC2)CCCO1)C1=NN=N[N-]1	REAL250004613672	1	40	-1.0	-51.20	306.48	4.49	-46.71
CC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613673	0	34	-1.0	-43.76	281.22	3.99	-39.77
CC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613673	1	34	-1.0	-43.80	281.27	4.00	-39.80
CC(CN(C)C(=O)C1CC(C)(F)C1)C1=N[N-]N=N1	REAL250004613674	0	35	-1.0	-44.41	284.24	4.08	-40.33
CC(CN(C)C(=O)C1CC(C)(F)C1)C1=NN=N[N-]1	REAL250004613674	1	35	-1.0	-44.41	284.30	4.09	-40.32
C=CCCC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613675	0	47	-1.0	-45.68	346.48	6.13	-39.55
C=CCCC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613675	1	47	-1.0	-45.66	346.54	6.14	-39.52
C=CCC(CC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613676	0	44	-1.0	-47.78	332.55	5.53	-42.25
C=CCC(CC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613676	1	44	-1.0	-47.80	332.61	5.56	-42.24
CC(CN(C)C(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004613677	0	42	-1.0	-40.49	328.42	3.80	-36.69
CC(CN(C)C(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004613677	1	42	-1.0	-40.47	328.48	3.82	-36.65
CC(CN(C)C(=O)C1CCC(C)O1)C1=N[N-]N=N1	REAL250004613678	0	36	-1.0	-47.16	284.41	3.29	-43.87
CC(CN(C)C(=O)C1CCC(C)O1)C1=NN=N[N-]1	REAL250004613678	1	36	-1.0	-47.16	284.47	3.30	-43.86
CC(C)COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613679	0	47	-1.0	-49.85	358.26	5.73	-44.12
CC(C)COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613679	1	47	-1.0	-49.84	358.31	5.74	-44.10
CC(CN(C)C(=O)C1=CN=C2N=CC=CN12)C1=NN=N[N-]1	REAL250004613680	0	34	-1.0	-48.27	282.04	4.95	-43.32
CC(CN(C)C(=O)C1=CN=C2N=CC=CN12)C1=N[N-]N=N1	REAL250004613680	1	34	-1.0	-48.27	281.99	4.93	-43.34
CC(CN(C)C(=O)C12CC(C)(C1)OC2C)C1=N[N-]N=N1	REAL250004613681	0	40	-1.0	-42.05	305.06	2.77	-39.28
CC(CN(C)C(=O)C12CC(C)(C1)OC2C)C1=NN=N[N-]1	REAL250004613681	1	40	-1.0	-42.09	305.12	2.78	-39.31
CC(CN(C)C(=O)C12COC(C=CC1)C2)C1=N[N-]N=N1	REAL250004613682	0	38	-1.0	-40.96	286.66	2.62	-38.34
CC(CN(C)C(=O)C12COC(C=CC1)C2)C1=NN=N[N-]1	REAL250004613682	1	38	-1.0	-40.94	286.72	2.63	-38.31
CC(CN(C)C(=O)C1=C(C2CCC2)ON=C1)C1=N[N-]N=N1	REAL250004613683	0	38	-1.0	-44.02	305.48	4.41	-39.61
CC(CN(C)C(=O)C1=C(C2CCC2)ON=C1)C1=NN=N[N-]1	REAL250004613683	1	38	-1.0	-44.00	305.54	4.42	-39.58
CC(CN(C)C(=O)[C@H](C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004613684	0	38	-1.0	-44.29	307.61	5.42	-38.87
CC(CN(C)C(=O)[C@H](C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004613684	1	38	-1.0	-44.30	307.67	5.44	-38.86
CC(CN(C)C(=O)C1=CC=NN1CC1CC1)C1=NN=N[N-]1	REAL250004613685	0	39	-1.0	-45.02	312.35	4.29	-40.73
CC(CN(C)C(=O)C1=CC=NN1CC1CC1)C1=N[N-]N=N1	REAL250004613685	1	39	-1.0	-44.99	312.30	4.27	-40.72
CC(CN(C)C(=O)C1CCC(F)(F)CO1)C1=N[N-]N=N1	REAL250004613686	0	36	-1.0	-52.85	291.27	3.45	-49.40
CC(CN(C)C(=O)C1CCC(F)(F)CO1)C1=NN=N[N-]1	REAL250004613686	1	36	-1.0	-52.86	291.33	3.46	-49.40
CC(CN(C)C(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=N[N-]N=N1	REAL250004613687	0	42	-1.0	-43.92	319.62	3.50	-40.42
CC(CN(C)C(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=NN=N[N-]1	REAL250004613687	1	42	-1.0	-43.95	319.68	3.52	-40.43
CC(CN(C)C(=O)C12COC(C1)CCC2)C1=N[N-]N=N1	REAL250004613688	0	40	-1.0	-42.52	292.41	2.69	-39.83
CC(CN(C)C(=O)C12COC(C1)CCC2)C1=NN=N[N-]1	REAL250004613688	1	40	-1.0	-42.49	292.47	2.71	-39.78
CC(CN(C)C(=O)C12CCC(CO1)C2)C1=N[N-]N=N1	REAL250004613689	0	37	-1.0	-41.74	285.83	2.92	-38.82
CC(CN(C)C(=O)C12CCC(CO1)C2)C1=NN=N[N-]1	REAL250004613689	1	37	-1.0	-41.73	285.89	2.93	-38.80
CC(CN(C)C(=O)C12CCC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004613690	0	40	-1.0	-42.38	302.85	2.82	-39.56
CC(CN(C)C(=O)C12CCC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004613690	1	40	-1.0	-42.38	302.91	2.84	-39.54
CC(CN(C)C(=O)C1CC2(CC2F)C1)C1=N[N-]N=N1	REAL250004613691	0	36	-1.0	-46.66	295.45	4.84	-41.82
CC(CN(C)C(=O)C1CC2(CC2F)C1)C1=NN=N[N-]1	REAL250004613691	1	36	-1.0	-46.63	295.51	4.85	-41.78
CC(CN(C)C(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL250004613692	0	36	-1.0	-48.97	298.82	3.41	-45.56
CC(CN(C)C(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL250004613692	1	36	-1.0	-48.94	298.88	3.42	-45.52
CC(CN(C)C(=O)C1(C#N)CC1(C)C)C1=N[N-]N=N1	REAL250004613693	0	36	-1.0	-41.73	291.39	3.86	-37.87
CC(CN(C)C(=O)C1(C#N)CC1(C)C)C1=NN=N[N-]1	REAL250004613693	1	36	-1.0	-41.74	291.44	3.87	-37.87
CC(CN(C)C(=O)C1(C#N)CC2C=CC1C2)C1=N[N-]N=N1	REAL250004613694	0	38	-1.0	-44.18	300.14	4.42	-39.76
CC(CN(C)C(=O)C1(C#N)CC2C=CC1C2)C1=NN=N[N-]1	REAL250004613694	1	38	-1.0	-44.19	300.19	4.44	-39.75
CC1=CC2=C(C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N2)O1	REAL250004613695	0	36	-1.0	-45.08	297.19	3.51	-41.57
CC1=CC2=C(C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N2)O1	REAL250004613695	1	36	-1.0	-45.07	297.25	3.53	-41.54
CC1=CC=CC([C@@H](C)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613697	0	41	-1.0	-36.84	318.98	5.81	-31.03
CC1=CC=CC([C@@H](C)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613697	1	41	-1.0	-36.87	319.04	5.82	-31.05
COC1=CC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004613698	0	38	-1.0	-44.30	310.60	1.37	-42.93
COC1=CC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004613698	1	38	-1.0	-44.34	310.66	1.39	-42.95
CC(CN(C)C(=O)C[C@@H]1CC=CCC1)C1=N[N-]N=N1	REAL250004613699	0	39	-1.0	-43.68	302.10	5.28	-38.40
CC(CN(C)C(=O)C[C@@H]1CC=CCC1)C1=NN=N[N-]1	REAL250004613699	1	39	-1.0	-43.68	302.16	5.30	-38.38
CCC1=CNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613700	0	36	-1.0	-45.19	291.05	3.94	-41.25
CCC1=CNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613700	1	36	-1.0	-45.18	291.11	3.95	-41.23
CC(CN(C)C(=O)C1=C2CCCCC2=CN1)C1=N[N-]N=N1	REAL250004613701	0	40	-1.0	-49.54	309.74	4.98	-44.56
CC(CN(C)C(=O)C1=C2CCCCC2=CN1)C1=NN=N[N-]1	REAL250004613701	1	40	-1.0	-49.53	309.80	4.99	-44.54
COCCOCC=CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613702	0	40	-1.0	-51.92	331.99	1.99	-49.93
COCCOCC=CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613702	1	40	-1.0	-51.93	332.05	2.01	-49.92
CC(CN(C)C(=O)C=CC1CCCO1)C1=N[N-]N=N1	REAL250004613703	0	37	-1.0	-48.79	299.75	2.98	-45.81
CC(CN(C)C(=O)C=CC1CCCO1)C1=NN=N[N-]1	REAL250004613703	1	37	-1.0	-48.79	299.80	2.99	-45.80
CC1=CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613704	0	39	-1.0	-42.24	301.19	4.98	-37.26
CC1=CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613704	1	39	-1.0	-42.24	301.25	4.99	-37.25
CC[C@H](CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)C	REAL250004613705	0	43	-1.0	-46.37	317.96	5.11	-41.26
CC[C@H](CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)C	REAL250004613705	1	43	-1.0	-46.32	318.02	5.12	-41.20
CC1=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)SC=C1	REAL250004613706	0	35	-1.0	-47.60	299.80	4.80	-42.80
CC1=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)SC=C1	REAL250004613706	1	35	-1.0	-47.62	299.86	4.82	-42.80
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1C=NC=N1	REAL250004613707	0	37	-1.0	-42.78	304.20	4.66	-38.12
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1C=NC=N1	REAL250004613707	1	37	-1.0	-42.79	304.14	4.64	-38.15
CC1=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1C	REAL250004613708	0	41	-1.0	-49.77	331.72	4.09	-45.68
CC1=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1C	REAL250004613708	1	41	-1.0	-49.76	331.78	4.10	-45.66
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCOC1	REAL250004613709	0	38	-1.0	-49.02	300.11	2.62	-46.40
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCOC1	REAL250004613709	1	38	-1.0	-48.99	300.17	2.64	-46.35
CC(=O)C1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL250004613710	0	33	-1.0	-49.73	296.28	2.64	-47.09
CC(=O)C1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL250004613710	1	33	-1.0	-49.72	296.34	2.66	-47.06
CC(CN(C)C(=O)C1=CN2N=CC=C2C=C1)C1=NN=N[N-]1	REAL250004613711	0	35	-1.0	-50.32	289.68	3.85	-46.47
CC(CN(C)C(=O)C1=CN2N=CC=C2C=C1)C1=N[N-]N=N1	REAL250004613711	1	35	-1.0	-50.35	289.62	3.83	-46.52
CC(CN(C)C(=O)C1CCCC2=NN=CN21)C1=N[N-]N=N1	REAL250004613712	0	38	-1.0	-48.18	301.21	4.70	-43.48
CC(CN(C)C(=O)C1CCCC2=NN=CN21)C1=NN=N[N-]1	REAL250004613712	1	38	-1.0	-48.17	301.27	4.71	-43.46
CC(CN(C)C(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL250004613713	0	45	-1.0	-45.91	339.04	5.12	-40.79
CC(CN(C)C(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL250004613713	1	45	-1.0	-45.94	339.10	5.14	-40.80
COC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CN=C1	REAL250004613714	0	38	-1.0	-52.85	308.13	3.06	-49.79
COC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CN=C1	REAL250004613714	1	38	-1.0	-52.85	308.07	3.04	-49.81
CCN1C(=O)CCC1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613715	0	39	-1.0	-50.41	306.04	3.14	-47.27
CCN1C(=O)CCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613715	1	39	-1.0	-50.41	306.10	3.15	-47.26
CC(CN(C)C(=O)C1=CC=NC2=C1CCC2)C1=N[N-]N=N1	REAL250004613716	0	38	-1.0	-43.69	298.90	4.12	-39.57
CC(CN(C)C(=O)C1=CC=NC2=C1CCC2)C1=NN=N[N-]1	REAL250004613716	1	38	-1.0	-43.70	298.96	4.14	-39.56
CC(CN(C)C(=O)CCC1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004613717	0	38	-1.0	-51.38	316.47	2.71	-48.67
CC(CN(C)C(=O)CCC1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004613717	1	38	-1.0	-51.45	316.52	2.72	-48.73
CCC1=C(C)SC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613718	0	38	-1.0	-43.23	310.16	5.14	-38.09
CCC1=C(C)SC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613718	1	38	-1.0	-43.25	310.22	5.15	-38.10
CC(CN(C)C(=O)C1CCOC(=O)CC1)C1=N[N-]N=N1	REAL250004613719	0	38	-1.0	-55.35	299.75	3.60	-51.75
CC(CN(C)C(=O)C1CCOC(=O)CC1)C1=NN=N[N-]1	REAL250004613719	1	38	-1.0	-55.35	299.81	3.62	-51.73
CC(CN(C)C(=O)CCCCCF)C1=N[N-]N=N1	REAL250004613720	0	37	-1.0	-49.08	301.50	4.60	-44.48
CC(CN(C)C(=O)CCCCCF)C1=NN=N[N-]1	REAL250004613720	1	37	-1.0	-49.03	301.56	4.61	-44.42
CCN1N=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004613721	0	37	-1.0	-45.01	303.12	2.40	-42.61
CCN1N=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004613721	1	37	-1.0	-45.02	303.17	2.41	-42.61
CC(CN(C)C(=O)C1CC(=O)CO1)C1=N[N-]N=N1	REAL250004613722	0	32	-1.0	-48.18	266.59	1.56	-46.62
CC(CN(C)C(=O)C1CC(=O)CO1)C1=NN=N[N-]1	REAL250004613722	1	32	-1.0	-48.17	266.65	1.58	-46.59
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN(C)C1=O	REAL250004613723	0	38	-1.0	-47.07	307.50	3.51	-43.56
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN(C)C1=O	REAL250004613723	1	38	-1.0	-47.05	307.56	3.53	-43.52
CC1=NN=NN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613724	0	33	-1.0	-58.44	280.38	1.46	-56.98
CC1=NN=NN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613724	1	33	-1.0	-58.47	280.43	1.47	-57.00
CC(CN(C)C(=O)CC1CC(C(F)F)C1)C1=N[N-]N=N1	REAL250004613725	0	38	-1.0	-46.33	310.12	5.01	-41.32
CC(CN(C)C(=O)CC1CC(C(F)F)C1)C1=NN=N[N-]1	REAL250004613725	1	38	-1.0	-46.38	310.18	5.03	-41.35
CC1=CC(Cl)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004613726	0	32	-1.0	-47.97	288.92	4.24	-43.73
CC1=CC(Cl)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004613726	1	32	-1.0	-48.00	288.98	4.26	-43.74
CC(CN(C)C(=O)CC1=CN=NN1C)C1=N[N-]N=N1	REAL250004613727	0	34	-1.0	-55.13	285.54	1.45	-53.68
CC(CN(C)C(=O)CC1=CN=NN1C)C1=NN=N[N-]1	REAL250004613727	1	34	-1.0	-55.11	285.60	1.47	-53.64
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](F)C2)C1=N[N-]N=N1	REAL250004613728	0	33	-1.0	-46.52	272.57	4.03	-42.49
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](F)C2)C1=NN=N[N-]1	REAL250004613728	1	33	-1.0	-46.47	272.62	4.05	-42.42
CC(CN(C)C(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL250004613729	0	42	-1.0	-43.37	338.48	7.03	-36.34
CC(CN(C)C(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL250004613729	1	42	-1.0	-43.35	338.54	7.04	-36.31
CC(CN(C)C(=O)C1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004613730	0	30	-1.0	-43.93	261.43	2.60	-41.33
CC(CN(C)C(=O)C1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004613730	1	30	-1.0	-43.90	261.37	2.59	-41.31
CC(CN(C)C(=O)C1CCOCC1(C)C)C1=N[N-]N=N1	REAL250004613731	0	42	-1.0	-42.56	305.08	3.01	-39.55
CC(CN(C)C(=O)C1CCOCC1(C)C)C1=NN=N[N-]1	REAL250004613731	1	42	-1.0	-42.58	305.14	3.03	-39.55
CC(CN(C)C(=O)C1=CC=CC2=NN=CN21)C1=NN=N[N-]1	REAL250004613732	0	34	-1.0	-51.07	291.66	5.26	-45.81
CC(CN(C)C(=O)C1=CC=CC2=NN=CN21)C1=N[N-]N=N1	REAL250004613732	1	34	-1.0	-51.08	291.61	5.25	-45.83
CC(CN(C)C(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004613733	0	35	-1.0	-41.71	303.39	2.79	-38.92
CC(CN(C)C(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004613733	1	35	-1.0	-41.71	303.33	2.78	-38.93
CC(CN(C)C(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL250004613734	0	45	-1.0	-45.28	333.88	4.78	-40.50
CC(CN(C)C(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL250004613734	1	45	-1.0	-45.37	333.94	4.79	-40.58
CC(CN(C)C(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004613735	0	43	-1.0	-46.76	342.03	3.27	-43.49
CC(CN(C)C(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004613735	1	43	-1.0	-46.76	342.09	3.29	-43.47
CC1=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004613736	0	33	-1.0	-54.57	282.73	1.10	-53.47
CC1=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004613736	1	33	-1.0	-54.58	282.79	1.12	-53.46
CC(CN(C)C(=O)C12CCC(C)(CC1)CO2)C1=N[N-]N=N1	REAL250004613737	0	43	-1.0	-44.89	319.37	4.11	-40.78
CC(CN(C)C(=O)C12CCC(C)(CC1)CO2)C1=NN=N[N-]1	REAL250004613737	1	43	-1.0	-44.90	319.42	4.12	-40.78
CC(CN(C)C(=O)C1=CC=C2C=COC2=C1)C1=N[N-]N=N1	REAL250004613738	0	35	-1.0	-50.68	289.64	4.38	-46.30
CC(CN(C)C(=O)C1=CC=C2C=COC2=C1)C1=NN=N[N-]1	REAL250004613738	1	35	-1.0	-50.65	289.70	4.39	-46.26
C#CC1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613739	0	34	-1.0	-45.91	290.44	5.26	-40.65
C#CC1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613739	1	34	-1.0	-45.90	290.50	5.27	-40.63
CC1=C(C)NC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613740	0	38	-1.0	-56.16	313.13	2.30	-53.86
CC1=C(C)NC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613740	1	38	-1.0	-56.16	313.19	2.32	-53.84
CCN1N=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C	REAL250004613741	0	38	-1.0	-48.96	310.89	3.88	-45.08
CCN1N=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C	REAL250004613741	1	38	-1.0	-49.00	310.95	3.90	-45.10
CCCN1C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613742	0	39	-1.0	-43.46	307.06	5.19	-38.27
CCCN1C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613742	1	39	-1.0	-43.52	307.12	5.21	-38.31
CC(CN(C)C(=O)CC1CC2CC2C1)C1=N[N-]N=N1	REAL250004613743	0	39	-1.0	-47.33	304.19	5.52	-41.81
CC(CN(C)C(=O)CC1CC2CC2C1)C1=NN=N[N-]1	REAL250004613743	1	39	-1.0	-47.36	304.25	5.53	-41.83
CC(CN(C)C(=O)C1=CCCOC1)C1=N[N-]N=N1	REAL250004613744	0	34	-1.0	-47.40	267.29	1.87	-45.53
CC(CN(C)C(=O)C1=CCCOC1)C1=NN=N[N-]1	REAL250004613744	1	34	-1.0	-47.41	267.35	1.89	-45.52
C=C1CCC1(C(=O)OC)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613745	0	39	-1.0	-41.35	316.34	4.16	-37.19
C=C1CCC1(C(=O)OC)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613745	1	39	-1.0	-41.39	316.39	4.17	-37.22
CCC1=NON=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613746	0	33	-1.0	-36.77	277.73	2.68	-34.09
CCC1=NON=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613746	1	33	-1.0	-36.77	277.79	2.70	-34.07
CC(CN(C)C(=O)C1=CN2N=NC=C2C=C1)C1=NN=N[N-]1	REAL250004613747	0	34	-1.0	-45.40	292.65	2.72	-42.68
CC(CN(C)C(=O)C1=CN2N=NC=C2C=C1)C1=N[N-]N=N1	REAL250004613747	1	34	-1.0	-45.37	292.59	2.71	-42.66
CC(CN(C)C(=O)C1=CN(CCO)N=N1)C1=NN=N[N-]1	REAL250004613748	0	35	-1.0	-45.21	297.30	-1.44	-46.65
CC(CN(C)C(=O)C1=CN(CCO)N=N1)C1=N[N-]N=N1	REAL250004613748	1	35	-1.0	-45.18	297.24	-1.46	-46.64
CC(CN(C)C(=O)CCNC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004613749	0	38	-1.0	-50.58	315.39	2.11	-48.47
CC(CN(C)C(=O)CCNC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004613749	1	38	-1.0	-50.52	315.33	2.09	-48.43
CC(CN(C)C(=O)CC1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004613750	0	42	-1.0	-43.68	326.97	6.04	-37.64
CC(CN(C)C(=O)CC1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004613750	1	42	-1.0	-43.70	327.02	6.06	-37.64
CC(CN(C)C(=O)C[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004613751	0	39	-1.0	-50.09	318.70	3.62	-46.47
CC(CN(C)C(=O)C[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004613751	1	39	-1.0	-50.11	318.76	3.63	-46.48
CC(CN(C)C(=O)C1=NOC(CF)=C1)C1=N[N-]N=N1	REAL250004613752	0	31	-1.0	-45.00	271.11	2.93	-42.07
CC(CN(C)C(=O)C1=NOC(CF)=C1)C1=NN=N[N-]1	REAL250004613752	1	31	-1.0	-45.01	271.16	2.95	-42.06
CC(CN(C)C(=O)C1CCC2=CC=NN2C1)C1=N[N-]N=N1	REAL250004613753	0	39	-1.0	-43.66	305.91	3.40	-40.26
CC(CN(C)C(=O)C1CCC2=CC=NN2C1)C1=NN=N[N-]1	REAL250004613753	1	39	-1.0	-43.61	305.97	3.41	-40.20
CC(CN(C)C(=O)C1=CC=CC2=NON=C21)C1=NN=N[N-]1	REAL250004613754	0	33	-1.0	-57.16	281.70	2.94	-54.22
CC(CN(C)C(=O)C1=CC=CC2=NON=C21)C1=N[N-]N=N1	REAL250004613754	1	33	-1.0	-57.20	281.64	2.92	-54.28
CC(CN(C)C(=O)COC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004613755	0	36	-1.0	-52.82	304.20	2.82	-50.00
CC(CN(C)C(=O)COC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004613755	1	36	-1.0	-52.81	304.14	2.81	-50.00
CC(CN(C)C(=O)C1(C)CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004613756	0	40	-1.0	-46.07	320.08	3.91	-42.16
CC(CN(C)C(=O)C1(C)CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004613756	1	40	-1.0	-46.06	320.13	3.93	-42.13
CC(CN(C)C(=O)C12CCC(C1)OC2)C1=N[N-]N=N1	REAL250004613757	0	37	-1.0	-45.87	282.05	2.21	-43.66
CC(CN(C)C(=O)C12CCC(C1)OC2)C1=NN=N[N-]1	REAL250004613757	1	37	-1.0	-45.85	282.11	2.23	-43.62
CC(CN(C)C(=O)C1(C2CCC2)CC1(F)F)C1=N[N-]N=N1	REAL250004613758	0	39	-1.0	-41.25	309.64	5.39	-35.86
CC(CN(C)C(=O)C1(C2CCC2)CC1(F)F)C1=NN=N[N-]1	REAL250004613758	1	39	-1.0	-41.26	309.69	5.41	-35.85
CCC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613759	0	34	-1.0	-41.83	286.00	3.10	-38.73
CCC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613759	1	34	-1.0	-41.83	286.06	3.11	-38.72
CC(C)[C@@H]1CCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613760	0	44	-1.0	-46.96	324.96	5.52	-41.44
CC(C)[C@@H]1CCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613760	1	44	-1.0	-46.95	325.02	5.53	-41.42
CC(CN(C)C(=O)C=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004613761	0	35	-1.0	-48.14	294.56	3.86	-44.28
CC(CN(C)C(=O)C=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004613761	1	35	-1.0	-48.17	294.61	3.88	-44.29
CC(CN(C)C(=O)C1CC(=O)CC12CCC2)C1=N[N-]N=N1	REAL250004613762	0	41	-1.0	-42.99	311.45	4.39	-38.60
CC(CN(C)C(=O)C1CC(=O)CC12CCC2)C1=NN=N[N-]1	REAL250004613762	1	41	-1.0	-42.97	311.51	4.41	-38.56
CC1=CNC2=NC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C12	REAL250004613763	0	38	-1.0	-49.31	312.13	4.02	-45.29
CC1=CNC2=NC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C12	REAL250004613763	1	38	-1.0	-49.32	312.19	4.04	-45.28
CC(CN(C)C(=O)C1CC2=CC=CN=C2C1)C1=N[N-]N=N1	REAL250004613764	0	38	-1.0	-44.89	305.87	4.30	-40.59
CC(CN(C)C(=O)C1CC2=CC=CN=C2C1)C1=NN=N[N-]1	REAL250004613764	1	38	-1.0	-44.88	305.93	4.31	-40.57
CC(CN(C)C(=O)C1CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004613765	0	37	-1.0	-54.82	304.86	4.27	-50.55
CC(CN(C)C(=O)C1CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004613765	1	37	-1.0	-54.85	304.91	4.28	-50.57
CC(CN(C)C(=O)C1COC(=O)O1)C1=N[N-]N=N1	REAL250004613766	0	30	-1.0	-52.91	255.15	2.37	-50.54
CC(CN(C)C(=O)C1COC(=O)O1)C1=NN=N[N-]1	REAL250004613766	1	30	-1.0	-52.90	255.21	2.38	-50.52
CC(CN(C)C(=O)C(C)C1CCOC1)C1=N[N-]N=N1	REAL250004613767	0	39	-1.0	-46.23	300.00	2.58	-43.65
CC(CN(C)C(=O)C(C)C1CCOC1)C1=NN=N[N-]1	REAL250004613767	1	39	-1.0	-46.22	300.06	2.60	-43.62
CC(CN(C)C(=O)C1COC2COCC21)C1=N[N-]N=N1	REAL250004613768	0	38	-1.0	-46.75	287.13	0.71	-46.04
CC(CN(C)C(=O)C1COC2COCC21)C1=NN=N[N-]1	REAL250004613768	1	38	-1.0	-46.75	287.19	0.72	-46.03
CC(CN(C)C(=O)CC1OCCC1C)C1=N[N-]N=N1	REAL250004613769	0	39	-1.0	-51.13	300.87	3.52	-47.61
CC(CN(C)C(=O)CC1OCCC1C)C1=NN=N[N-]1	REAL250004613769	1	39	-1.0	-51.09	300.92	3.53	-47.56
COC1CC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C1(C)C	REAL250004613770	0	45	-1.0	-46.36	346.47	4.31	-42.05
COC1CC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1(C)C	REAL250004613770	1	45	-1.0	-46.36	346.52	4.33	-42.03
CC(CN(C)C(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004613771	0	39	-1.0	-43.80	314.25	5.32	-38.48
CC(CN(C)C(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004613771	1	39	-1.0	-43.81	314.30	5.33	-38.48
CC(CN(C)C(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004613772	0	39	-1.0	-40.96	306.96	5.21	-35.75
CC(CN(C)C(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004613772	1	39	-1.0	-40.99	307.01	5.22	-35.77
C=C1CC2(C1)CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C2	REAL250004613773	0	40	-1.0	-46.35	319.15	5.77	-40.58
C=C1CC2(C1)CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C2	REAL250004613773	1	40	-1.0	-46.37	319.21	5.79	-40.58
CC(CN(C)C(=O)C1CCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004613774	0	36	-1.0	-48.38	287.90	4.54	-43.84
CC(CN(C)C(=O)C1CCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004613774	1	36	-1.0	-48.38	287.96	4.55	-43.83
CC1=C(Cl)C=NN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613775	0	35	-1.0	-52.14	307.90	3.43	-48.71
CC1=C(Cl)C=NN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613775	1	35	-1.0	-52.15	307.96	3.44	-48.71
CC(CN(C)C(=O)CC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004613776	0	42	-1.0	-43.51	313.36	5.67	-37.84
CC(CN(C)C(=O)CC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004613776	1	42	-1.0	-43.53	313.41	5.68	-37.85
CC(CN(C)C(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004613777	0	40	-1.0	-45.48	317.90	6.35	-39.13
CC(CN(C)C(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004613777	1	40	-1.0	-45.46	317.96	6.36	-39.10
CCCOCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613778	0	41	-1.0	-49.58	328.93	3.73	-45.85
CCCOCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613778	1	41	-1.0	-49.56	328.99	3.74	-45.82
CC(CN(C)C(=O)C1=CN2C=NN=C2C=N1)C1=NN=N[N-]1	REAL250004613779	0	33	-1.0	-43.74	280.96	4.60	-39.14
CC(CN(C)C(=O)C1=CN2C=NN=C2C=N1)C1=N[N-]N=N1	REAL250004613779	1	33	-1.0	-43.74	280.91	4.58	-39.16
CC(CN(C)C(=O)C1=C(C#N)C=NN1C)C1=NN=N[N-]1	REAL250004613780	0	33	-1.0	-48.02	294.09	2.21	-45.81
CC(CN(C)C(=O)C1=C(C#N)C=NN1C)C1=N[N-]N=N1	REAL250004613780	1	33	-1.0	-48.03	294.04	2.19	-45.84
CC(CN(C)C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004613781	0	37	-1.0	-48.85	303.10	4.42	-44.43
CC(CN(C)C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004613781	1	37	-1.0	-48.85	303.04	4.40	-44.45
CC(C)C(C)C(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613782	0	46	-1.0	-45.92	336.06	5.65	-40.27
CC(C)C(C)C(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613782	1	46	-1.0	-45.92	336.12	5.66	-40.26
COC1CC2(C1)CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C2	REAL250004613783	0	43	-1.0	-47.07	338.07	4.15	-42.92
COC1CC2(C1)CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C2	REAL250004613783	1	43	-1.0	-47.04	338.13	4.17	-42.87
CO[C@@H]1C[C@@]2(C(=O)N(C)CC(C)C3=N[N-]N=N3)C[C@@H]12	REAL250004613784	0	37	-1.0	-51.23	299.54	2.93	-48.30
CO[C@@H]1C[C@@]2(C(=O)N(C)CC(C)C3=NN=N[N-]3)C[C@@H]12	REAL250004613784	1	37	-1.0	-51.23	299.60	2.94	-48.29
CC(CN(C)C(=O)C1CCC(C)(C)OC1)C1=N[N-]N=N1	REAL250004613785	0	42	-1.0	-41.61	314.10	3.22	-38.39
CC(CN(C)C(=O)C1CCC(C)(C)OC1)C1=NN=N[N-]1	REAL250004613785	1	42	-1.0	-41.64	314.16	3.24	-38.40
CC(CN(C)C(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL250004613786	0	42	-1.0	-57.58	322.42	1.96	-55.62
CC(CN(C)C(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL250004613786	1	42	-1.0	-57.57	322.48	1.97	-55.60
CC(CN(C)C(=O)C1(C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL250004613787	0	35	-1.0	-47.73	288.18	4.22	-43.51
CC(CN(C)C(=O)C1(C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004613787	1	35	-1.0	-47.70	288.24	4.24	-43.46
CC(CN(C)C(=O)C1CCCCC12CCC2)C1=N[N-]N=N1	REAL250004613788	0	45	-1.0	-42.94	320.44	5.86	-37.08
CC(CN(C)C(=O)C1CCCCC12CCC2)C1=NN=N[N-]1	REAL250004613788	1	45	-1.0	-42.92	320.50	5.88	-37.04
CC(CN(C)C(=O)C12COC(C)(C1)CCC2)C1=N[N-]N=N1	REAL250004613789	0	43	-1.0	-42.50	312.68	3.34	-39.16
CC(CN(C)C(=O)C12COC(C)(C1)CCC2)C1=NN=N[N-]1	REAL250004613789	1	43	-1.0	-42.49	312.74	3.36	-39.13
CC(CN(C)C(=O)C12CCCC1C2(F)F)C1=N[N-]N=N1	REAL250004613790	0	36	-1.0	-44.94	296.24	4.63	-40.31
CC(CN(C)C(=O)C12CCCC1C2(F)F)C1=NN=N[N-]1	REAL250004613790	1	36	-1.0	-44.91	296.30	4.65	-40.26
CC(CN(C)C(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004613791	0	38	-1.0	-60.21	314.05	5.44	-54.77
CC(CN(C)C(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004613791	1	38	-1.0	-60.17	314.00	5.42	-54.75
CC(CN(C)C(=O)C12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL250004613792	0	39	-1.0	-45.48	302.91	4.81	-40.67
CC(CN(C)C(=O)C12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL250004613792	1	39	-1.0	-45.48	302.97	4.82	-40.66
CC(CN(C)C(=O)C1=C(C2CC2)C=CO1)C1=N[N-]N=N1	REAL250004613793	0	36	-1.0	-47.26	295.41	4.67	-42.59
CC(CN(C)C(=O)C1=C(C2CC2)C=CO1)C1=NN=N[N-]1	REAL250004613793	1	36	-1.0	-47.26	295.47	4.68	-42.58
CC(CN(C)C(=O)CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004613794	0	39	-1.0	-50.54	301.56	3.87	-46.67
CC(CN(C)C(=O)CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004613794	1	39	-1.0	-50.59	301.62	3.89	-46.70
CC(CN(C)C(=O)C1=NC2=CC=CNC2=C1)C1=N[N-]N=N1	REAL250004613795	0	35	-1.0	-59.55	292.99	3.14	-56.41
CC(CN(C)C(=O)C1=NC2=CC=CNC2=C1)C1=NN=N[N-]1	REAL250004613795	1	35	-1.0	-59.54	293.05	3.15	-56.39
CC(CN(C)C(=O)C1C2C3CC1C(=O)C32)C1=N[N-]N=N1	REAL250004613796	0	36	-1.0	-51.94	289.04	4.08	-47.86
CC(CN(C)C(=O)C1C2C3CC1C(=O)C32)C1=NN=N[N-]1	REAL250004613796	1	36	-1.0	-51.92	289.10	4.10	-47.82
CC(CN(C)C(=O)C1=CC=CN2N=NC=C12)C1=NN=N[N-]1	REAL250004613797	0	34	-1.0	-50.32	290.29	2.69	-47.63
CC(CN(C)C(=O)C1=CC=CN2N=NC=C12)C1=N[N-]N=N1	REAL250004613797	1	34	-1.0	-50.32	290.23	2.67	-47.65
COCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N1	REAL250004613798	0	37	-1.0	-48.71	303.08	2.18	-46.53
COCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N1	REAL250004613798	1	37	-1.0	-48.72	303.13	2.20	-46.52
CC(CN(C)C(=O)CC1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004613799	0	39	-1.0	-47.68	310.69	5.58	-42.10
CC(CN(C)C(=O)CC1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004613799	1	39	-1.0	-47.64	310.74	5.59	-42.05
CC1=NN(C)C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613800	0	38	-1.0	-52.64	313.35	3.23	-49.41
CC1=NN(C)C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613800	1	38	-1.0	-52.62	313.41	3.24	-49.38
CCC(C)CC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613801	0	43	-1.0	-47.04	321.84	5.20	-41.84
CCC(C)CC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613801	1	43	-1.0	-47.06	321.90	5.21	-41.85
CC(C)N(C)C(=O)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613802	0	44	-1.0	-45.73	345.79	3.90	-41.83
CC(C)N(C)C(=O)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613802	1	44	-1.0	-45.78	345.84	3.92	-41.86
CC(CN(C)C(=O)CC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004613803	0	32	-1.0	-47.29	297.45	4.66	-42.63
CC(CN(C)C(=O)CC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004613803	1	32	-1.0	-47.29	297.51	4.68	-42.61
CC(CN(C)C(=O)C12CCC(F)(CC1)C2)C1=N[N-]N=N1	REAL250004613804	0	39	-1.0	-44.10	296.17	4.66	-39.44
CC(CN(C)C(=O)C12CCC(F)(CC1)C2)C1=NN=N[N-]1	REAL250004613804	1	39	-1.0	-44.11	296.22	4.68	-39.43
CC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004613805	0	37	-1.0	-49.80	303.12	4.48	-45.32
CC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004613805	1	37	-1.0	-49.85	303.17	4.50	-45.35
CC(CN(C)C(=O)C1CC12CC(C)(C)C2)C1=N[N-]N=N1	REAL250004613806	0	42	-1.0	-43.22	328.52	5.89	-37.33
CC(CN(C)C(=O)C1CC12CC(C)(C)C2)C1=NN=N[N-]1	REAL250004613806	1	42	-1.0	-43.24	328.58	5.91	-37.33
CC(CN(C)C(=O)C1CCCC12CCC2)C1=N[N-]N=N1	REAL250004613807	0	42	-1.0	-43.66	315.20	5.69	-37.97
CC(CN(C)C(=O)C1CCCC12CCC2)C1=NN=N[N-]1	REAL250004613807	1	42	-1.0	-43.66	315.25	5.71	-37.95
C#CC1=CC=C(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL250004613808	0	38	-1.0	-52.06	326.59	6.23	-45.83
C#CC1=CC=C(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL250004613808	1	38	-1.0	-52.08	326.64	6.24	-45.84
CC1=NN=C2CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CN12	REAL250004613809	0	38	-1.0	-55.40	305.06	4.37	-51.03
CC1=NN=C2CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CN12	REAL250004613809	1	38	-1.0	-55.44	305.12	4.39	-51.05
C=C1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)(C(F)F)C1	REAL250004613810	0	36	-1.0	-49.00	292.27	4.31	-44.69
C=C1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)(C(F)F)C1	REAL250004613810	1	36	-1.0	-48.97	292.33	4.33	-44.64
CC(CN(C)C(=O)CC12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004613811	0	40	-1.0	-47.19	312.78	3.32	-43.87
CC(CN(C)C(=O)CC12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004613811	1	40	-1.0	-47.23	312.84	3.34	-43.89
CC(CN(C)C(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=N[N-]N=N1	REAL250004613812	0	45	-1.0	-43.59	327.53	6.02	-37.57
CC(CN(C)C(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=NN=N[N-]1	REAL250004613812	1	45	-1.0	-43.65	327.59	6.04	-37.61
CC(CN(C)C(=O)CCC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004613813	0	45	-1.0	-46.34	336.10	6.34	-40.00
CC(CN(C)C(=O)CCC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004613813	1	45	-1.0	-46.32	336.16	6.35	-39.97
CC(CN(C)C(=O)CC12CC(C1)C(=O)NC2)C1=N[N-]N=N1	REAL250004613814	0	40	-1.0	-53.08	313.21	1.61	-51.47
CC(CN(C)C(=O)CC12CC(C1)C(=O)NC2)C1=NN=N[N-]1	REAL250004613814	1	40	-1.0	-53.09	313.27	1.62	-51.47
CC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C#N	REAL250004613815	0	35	-1.0	-41.89	299.01	3.11	-38.78
CC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C#N	REAL250004613815	1	35	-1.0	-41.91	299.06	3.13	-38.78
CC(CN(C)C(=O)[C@@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004613816	0	32	-1.0	-59.95	265.70	3.24	-56.71
CC(CN(C)C(=O)[C@@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004613816	1	32	-1.0	-59.95	265.76	3.26	-56.69
CC(CN(C)C(=O)C(F)C1CCC1)C1=N[N-]N=N1	REAL250004613817	0	35	-1.0	-45.95	282.13	4.17	-41.78
CC(CN(C)C(=O)C(F)C1CCC1)C1=NN=N[N-]1	REAL250004613817	1	35	-1.0	-45.96	282.19	4.19	-41.77
CC(CN(C)C(=O)C(F)C1CCOC1)C1=N[N-]N=N1	REAL250004613818	0	36	-1.0	-42.65	286.76	2.16	-40.49
CC(CN(C)C(=O)C(F)C1CCOC1)C1=NN=N[N-]1	REAL250004613818	1	36	-1.0	-42.65	286.82	2.18	-40.47
CCC1(C)CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)O1	REAL250004613819	0	42	-1.0	-47.32	320.74	4.53	-42.79
CCC1(C)CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL250004613819	1	42	-1.0	-47.33	320.80	4.55	-42.78
CC(CN(C)C(=O)C1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004613820	0	40	-1.0	-46.66	309.73	4.22	-42.44
CC(CN(C)C(=O)C1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004613820	1	40	-1.0	-46.68	309.79	4.23	-42.45
CC(CN(C)C(=O)C1CC2(CC(F)C2)C1)C1=N[N-]N=N1	REAL250004613821	0	39	-1.0	-47.22	311.22	5.29	-41.93
CC(CN(C)C(=O)C1CC2(CC(F)C2)C1)C1=NN=N[N-]1	REAL250004613821	1	39	-1.0	-47.25	311.28	5.30	-41.95
CC(CN(C)C(=O)C1=CC2=CN=NN2C=C1)C1=NN=N[N-]1	REAL250004613822	0	34	-1.0	-47.33	292.39	2.89	-44.44
CC(CN(C)C(=O)C1=CC2=CN=NN2C=C1)C1=N[N-]N=N1	REAL250004613822	1	34	-1.0	-47.33	292.33	2.87	-44.46
CC(CN(C)C(=O)C12CC(C1)OC2)C1=N[N-]N=N1	REAL250004613823	0	34	-1.0	-45.62	267.83	1.65	-43.97
CC(CN(C)C(=O)C12CC(C1)OC2)C1=NN=N[N-]1	REAL250004613823	1	34	-1.0	-45.59	267.89	1.66	-43.93
CC(CN(C)C(=O)CSC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004613824	0	36	-1.0	-50.50	314.19	3.46	-47.04
CC(CN(C)C(=O)CSC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004613824	1	36	-1.0	-50.52	314.14	3.44	-47.08
CC(CN(C)C(=O)CC1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004613825	0	43	-1.0	-46.77	333.62	4.70	-42.07
CC(CN(C)C(=O)CC1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004613825	1	43	-1.0	-46.74	333.67	4.72	-42.02
CC(CN(C)C(=O)C1=CC=C(CCF)C=C1)C1=N[N-]N=N1	REAL250004613826	0	38	-1.0	-43.86	312.76	5.65	-38.21
CC(CN(C)C(=O)C1=CC=C(CCF)C=C1)C1=NN=N[N-]1	REAL250004613826	1	38	-1.0	-43.85	312.82	5.67	-38.18
CC(CN(C)C(=O)C1CC2=CSC=C2C1)C1=N[N-]N=N1	REAL250004613827	0	36	-1.0	-42.54	298.76	4.97	-37.57
CC(CN(C)C(=O)C1CC2=CSC=C2C1)C1=NN=N[N-]1	REAL250004613827	1	36	-1.0	-42.54	298.82	4.98	-37.56
CC1=CN2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC2=N1	REAL250004613828	0	38	-1.0	-47.38	310.74	5.20	-42.18
CC1=CN2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC2=N1	REAL250004613828	1	38	-1.0	-47.37	310.80	5.22	-42.15
CC(CN(C)C(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004613829	0	33	-1.0	-40.58	285.52	-0.12	-40.70
CC(CN(C)C(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004613829	1	33	-1.0	-40.61	285.57	-0.11	-40.72
CC(CN(C)C(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004613830	0	40	-1.0	-50.88	315.07	1.28	-49.60
CC(CN(C)C(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004613830	1	40	-1.0	-50.89	315.12	1.30	-49.59
CC(CN(C)C(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004613831	0	40	-1.0	-46.78	316.11	0.96	-45.82
CC(CN(C)C(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004613831	1	40	-1.0	-46.84	316.17	0.97	-45.87
CC(CN(C)C(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004613832	0	38	-1.0	-42.04	307.22	0.94	-41.10
CC(CN(C)C(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004613832	1	38	-1.0	-42.03	307.28	0.95	-41.08
CC(CN(C)C(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004613833	0	34	-1.0	-42.93	286.16	-0.03	-42.96
CC(CN(C)C(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004613833	1	34	-1.0	-42.93	286.22	-0.01	-42.94
CC(CN(C)C(=O)C1CCC(N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004613834	0	37	-1.0	-45.06	299.32	0.46	-44.60
CC(CN(C)C(=O)C1CCC(N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004613834	1	37	-1.0	-45.06	299.38	0.47	-44.59
CC(CN(C)C(=O)C1CCCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004613835	0	47	-1.0	-45.92	329.48	5.61	-40.31
CC(CN(C)C(=O)C1CCCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004613835	1	47	-1.0	-45.94	329.54	5.63	-40.31
CC(C)[C@H]1CC[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613836	0	47	-1.0	-47.50	336.05	5.97	-41.53
CC(C)[C@H]1CC[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613836	1	47	-1.0	-47.52	336.11	5.98	-41.54
COC1=CN=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613837	0	34	-1.0	-42.76	284.99	1.15	-41.61
COC1=CN=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613837	1	34	-1.0	-42.73	284.93	1.13	-41.60
CC(CN(C)C(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=N[N-]N=N1	REAL250004613838	0	35	-1.0	-41.88	294.08	4.41	-37.47
CC(CN(C)C(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=NN=N[N-]1	REAL250004613838	1	35	-1.0	-41.90	294.14	4.43	-37.47
CC(CN(C)C(=O)C1CNC(=O)CC1C)C1=N[N-]N=N1	REAL250004613839	0	39	-1.0	-45.05	303.10	1.03	-44.02
CC(CN(C)C(=O)C1CNC(=O)CC1C)C1=NN=N[N-]1	REAL250004613839	1	39	-1.0	-45.09	303.16	1.04	-44.05
CC(CN(C)C(=O)C1(F)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004613840	0	41	-1.0	-40.44	314.83	4.90	-35.54
CC(CN(C)C(=O)C1(F)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004613840	1	41	-1.0	-40.44	314.89	4.92	-35.52
COC1(C#N)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613841	0	37	-1.0	-45.77	306.44	2.41	-43.36
COC1(C#N)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613841	1	37	-1.0	-45.78	306.49	2.43	-43.35
CC(CN(C)C(=O)[C@H]1CCO[C@H]1C)C1=N[N-]N=N1	REAL250004613842	0	36	-1.0	-48.63	277.50	2.21	-46.42
CC(CN(C)C(=O)[C@H]1CCO[C@H]1C)C1=NN=N[N-]1	REAL250004613842	1	36	-1.0	-48.54	277.55	2.23	-46.31
CC(CN(C)C(=O)CC1COC(C)(C)C1)C1=N[N-]N=N1	REAL250004613843	0	42	-1.0	-45.78	325.95	3.67	-42.11
CC(CN(C)C(=O)CC1COC(C)(C)C1)C1=NN=N[N-]1	REAL250004613843	1	42	-1.0	-45.78	326.00	3.68	-42.10
CC(CN(C)C(=O)CC1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004613844	0	38	-1.0	-55.38	306.89	1.98	-53.40
CC(CN(C)C(=O)CC1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004613844	1	38	-1.0	-55.42	306.95	2.00	-53.42
CC(CN(C)C(=O)C1CCCCC(=O)C1)C1=N[N-]N=N1	REAL250004613845	0	40	-1.0	-42.48	303.07	3.96	-38.52
CC(CN(C)C(=O)C1CCCCC(=O)C1)C1=NN=N[N-]1	REAL250004613845	1	40	-1.0	-42.52	303.12	3.97	-38.55
CC1=C2NN=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004613846	0	38	-1.0	-48.54	314.17	3.99	-44.55
CC1=C2NN=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004613846	1	38	-1.0	-48.55	314.23	4.01	-44.54
CC(CN(C)C(=O)C1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004613847	0	40	-1.0	-52.06	311.68	4.58	-47.48
CC(CN(C)C(=O)C1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004613847	1	40	-1.0	-52.06	311.74	4.59	-47.47
CC(CN(C)C(=O)C1=CC=CC2=C1COC2)C1=N[N-]N=N1	REAL250004613848	0	37	-1.0	-50.29	295.15	3.31	-46.98
CC(CN(C)C(=O)C1=CC=CC2=C1COC2)C1=NN=N[N-]1	REAL250004613848	1	37	-1.0	-50.26	295.21	3.33	-46.93
CC(CN(C)C(=O)C1CCCC(C)CC1)C1=N[N-]N=N1	REAL250004613849	0	44	-1.0	-45.99	324.18	5.53	-40.46
CC(CN(C)C(=O)C1CCCC(C)CC1)C1=NN=N[N-]1	REAL250004613849	1	44	-1.0	-45.96	324.24	5.55	-40.41
CC(CN(C)C(=O)[C@@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004613850	0	32	-1.0	-45.08	267.61	3.84	-41.24
CC(CN(C)C(=O)[C@@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004613850	1	32	-1.0	-45.08	267.67	3.85	-41.23
CC(CN(C)C(=O)C1=NC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004613851	0	34	-1.0	-47.17	285.97	6.23	-40.94
CC(CN(C)C(=O)C1=NC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004613851	1	34	-1.0	-47.14	285.91	6.22	-40.92
COC(=O)C1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613852	0	41	-1.0	-46.61	323.31	4.43	-42.18
COC(=O)C1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613852	1	41	-1.0	-46.62	323.36	4.44	-42.18
CC1=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1	REAL250004613853	0	32	-1.0	-48.36	283.24	2.21	-46.15
CC1=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1	REAL250004613853	1	32	-1.0	-48.38	283.29	2.23	-46.15
CC(CN(C)C(=O)C1(C#N)CC(=O)C1)C1=N[N-]N=N1	REAL250004613854	0	32	-1.0	-42.74	275.94	2.28	-40.46
CC(CN(C)C(=O)C1(C#N)CC(=O)C1)C1=NN=N[N-]1	REAL250004613854	1	32	-1.0	-42.70	276.00	2.29	-40.41
CC(CN(C)C(=O)C12CC(C)(C1)OCC2)C1=N[N-]N=N1	REAL250004613855	0	40	-1.0	-45.46	303.68	2.85	-42.61
CC(CN(C)C(=O)C12CC(C)(C1)OCC2)C1=NN=N[N-]1	REAL250004613855	1	40	-1.0	-45.43	303.74	2.87	-42.56
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=N[N-]N=N1	REAL250004613856	0	35	-1.0	-45.81	297.83	0.56	-45.25
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=NN=N[N-]1	REAL250004613856	1	35	-1.0	-45.86	297.89	0.58	-45.28
CC(CN(C)C(=O)C1=CC(C2CCC2)=NO1)C1=N[N-]N=N1	REAL250004613857	0	38	-1.0	-41.34	309.61	4.29	-37.05
CC(CN(C)C(=O)C1=CC(C2CCC2)=NO1)C1=NN=N[N-]1	REAL250004613857	1	38	-1.0	-41.37	309.67	4.31	-37.06
CC(C)C1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613858	0	39	-1.0	-50.48	313.54	3.99	-46.49
CC(C)C1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613858	1	39	-1.0	-50.46	313.60	4.00	-46.46
CC(CN(C)C(=O)CCC(C)(C)C#N)C1=N[N-]N=N1	REAL250004613859	0	38	-1.0	-53.63	306.43	4.21	-49.42
CC(CN(C)C(=O)CCC(C)(C)C#N)C1=NN=N[N-]1	REAL250004613859	1	38	-1.0	-53.60	306.49	4.23	-49.37
CC(CN(C)C(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004613860	0	34	-1.0	-42.80	290.77	1.77	-41.03
CC(CN(C)C(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004613860	1	34	-1.0	-42.83	290.83	1.78	-41.05
CC(CN(C)C(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=N[N-]N=N1	REAL250004613861	0	34	-1.0	-45.88	299.57	-0.01	-45.89
CC(CN(C)C(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=NN=N[N-]1	REAL250004613861	1	34	-1.0	-45.86	299.63	0.00	-45.86
CC(CN(C)C(=O)CCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004613862	0	33	-1.0	-49.55	282.06	-0.45	-50.00
CC(CN(C)C(=O)CCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004613862	1	33	-1.0	-49.56	282.10	-0.43	-49.99
CC(CN(C)C(=O)CCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004613863	0	42	-1.0	-47.33	346.53	1.90	-45.43
CC(CN(C)C(=O)CCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004613863	1	42	-1.0	-47.33	346.62	1.91	-45.42
CCOCC(N=[N+]=[N-])C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613864	0	37	-1.0	-45.39	310.91	-1.22	-46.61
CCOCC(N=[N+]=[N-])C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613864	1	37	-1.0	-45.38	310.97	-1.21	-46.59
CC(CN(C)C(=O)C(F)(F)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004613865	0	35	-1.0	-45.91	301.96	2.90	-43.01
CC(CN(C)C(=O)C(F)(F)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004613865	1	35	-1.0	-45.88	301.90	2.89	-42.99
CC(CN(C)C(=O)C1(C)CCCCNC1=O)C1=N[N-]N=N1	REAL250004613866	0	42	-1.0	-53.11	307.22	1.21	-51.90
CC(CN(C)C(=O)C1(C)CCCCNC1=O)C1=NN=N[N-]1	REAL250004613866	1	42	-1.0	-53.11	307.28	1.23	-51.88
CC(CN(C)C(=O)C1CC(C2CCC2)C1)C1=N[N-]N=N1	REAL250004613867	0	42	-1.0	-43.71	324.78	6.04	-37.67
CC(CN(C)C(=O)C1CC(C2CCC2)C1)C1=NN=N[N-]1	REAL250004613867	1	42	-1.0	-43.75	324.84	6.06	-37.69
C#CC1=CC=CC(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613868	0	38	-1.0	-54.53	326.61	6.23	-48.30
C#CC1=CC=CC(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613868	1	38	-1.0	-54.54	326.66	6.24	-48.30
CC(CN(C)C(=O)C1CCCC2(CCC2)C1)C1=N[N-]N=N1	REAL250004613869	0	45	-1.0	-46.68	332.88	6.08	-40.60
CC(CN(C)C(=O)C1CCCC2(CCC2)C1)C1=NN=N[N-]1	REAL250004613869	1	45	-1.0	-46.69	332.94	6.10	-40.59
CNC(=O)NC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613870	0	37	-1.0	-46.69	298.58	-0.99	-47.68
CNC(=O)NC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613870	1	37	-1.0	-46.67	298.63	-0.98	-47.65
CNC(=O)N[C@@H](C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613871	0	37	-1.0	-46.10	300.18	-0.96	-47.06
CNC(=O)N[C@@H](C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613871	1	37	-1.0	-46.15	300.23	-0.95	-47.10
CNC(=O)N[C@H](C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613872	0	37	-1.0	-46.02	300.05	-0.94	-46.96
CNC(=O)N[C@H](C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613872	1	37	-1.0	-46.07	300.11	-0.92	-46.99
CC(C)[C@@H](NC(N)=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613873	0	40	-1.0	-44.41	310.54	-1.21	-45.62
CC(C)[C@@H](NC(N)=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613873	1	40	-1.0	-44.42	310.60	-1.19	-45.61
CC(CN(C)C(=O)C1(C)C=CCCC1)C1=N[N-]N=N1	REAL250004613874	0	39	-1.0	-46.34	289.91	4.47	-41.87
CC(CN(C)C(=O)C1(C)C=CCCC1)C1=NN=N[N-]1	REAL250004613874	1	39	-1.0	-46.34	289.97	4.48	-41.86
CC(CN(C)C(=O)C1CCSC(C)C1)C1=N[N-]N=N1	REAL250004613875	0	39	-1.0	-46.63	307.27	4.75	-41.88
CC(CN(C)C(=O)C1CCSC(C)C1)C1=NN=N[N-]1	REAL250004613875	1	39	-1.0	-46.62	307.33	4.77	-41.85
CC(CN(C)C(=O)C1(C2CCC2)CC1)C1=N[N-]N=N1	REAL250004613876	0	39	-1.0	-44.02	299.29	5.30	-38.72
CC(CN(C)C(=O)C1(C2CCC2)CC1)C1=NN=N[N-]1	REAL250004613876	1	39	-1.0	-44.04	299.35	5.32	-38.72
CC(CN(C)C(=O)C1(C2=CC=NC=C2)CC1)C1=NN=N[N-]1	REAL250004613877	0	38	-1.0	-44.98	305.91	4.07	-40.91
CC(CN(C)C(=O)C1(C2=CC=NC=C2)CC1)C1=N[N-]N=N1	REAL250004613877	1	38	-1.0	-44.96	305.86	4.06	-40.90
COC12CCC(C(=O)N(C)CC(C)C3=N[N-]N=N3)(CC1)C2	REAL250004613878	0	43	-1.0	-44.86	320.78	3.41	-41.45
COC12CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)(CC1)C2	REAL250004613878	1	43	-1.0	-44.88	320.84	3.43	-41.45
CC(CN(C)C(=O)CCC(C)(C)F)C1=N[N-]N=N1	REAL250004613879	0	37	-1.0	-45.96	295.92	4.22	-41.74
CC(CN(C)C(=O)CCC(C)(C)F)C1=NN=N[N-]1	REAL250004613879	1	37	-1.0	-45.94	295.98	4.24	-41.70
COC1CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613880	0	42	-1.0	-49.40	333.73	3.91	-45.49
COC1CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613880	1	42	-1.0	-49.39	333.79	3.93	-45.46
CCCCC[C@@H](O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613881	0	44	-1.0	-50.74	347.09	3.60	-47.14
CCCCC[C@@H](O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613881	1	44	-1.0	-50.71	347.14	3.62	-47.09
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004613882	0	38	-1.0	-49.09	318.69	5.19	-43.90
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004613882	1	38	-1.0	-49.09	318.75	5.20	-43.89
CCC1=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004613883	0	37	-1.0	-41.45	302.14	4.19	-37.26
CCC1=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004613883	1	37	-1.0	-41.47	302.20	4.21	-37.26
CC(CN(C)C(=O)C1(F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004613884	0	39	-1.0	-39.63	309.43	5.20	-34.43
CC(CN(C)C(=O)C1(F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004613884	1	39	-1.0	-39.65	309.48	5.22	-34.43
CC(CN(C)C(=O)C1CCCCNC1=O)C1=N[N-]N=N1	REAL250004613885	0	39	-1.0	-39.25	285.54	1.95	-37.30
CC(CN(C)C(=O)C1CCCCNC1=O)C1=NN=N[N-]1	REAL250004613885	1	39	-1.0	-39.26	285.60	1.97	-37.29
CC(CN(C)C(=O)C1=NNC=C1C1CCC1)C1=N[N-]N=N1	REAL250004613886	0	39	-1.0	-49.66	310.55	3.83	-45.83
CC(CN(C)C(=O)C1=NNC=C1C1CCC1)C1=NN=N[N-]1	REAL250004613886	1	39	-1.0	-49.65	310.61	3.84	-45.81
CC(CN(C)C(=O)C1(C)CC(C)OC(C)C1)C1=N[N-]N=N1	REAL250004613887	0	45	-1.0	-44.12	324.67	3.53	-40.59
CC(CN(C)C(=O)C1(C)CC(C)OC(C)C1)C1=NN=N[N-]1	REAL250004613887	1	45	-1.0	-44.11	324.72	3.54	-40.57
CC(CN(C)C(=O)[C@]12COC[C@H]1C2(F)F)C1=N[N-]N=N1	REAL250004613888	0	34	-1.0	-42.87	282.33	1.95	-40.92
CC(CN(C)C(=O)[C@]12COC[C@H]1C2(F)F)C1=NN=N[N-]1	REAL250004613888	1	34	-1.0	-42.86	282.39	1.97	-40.89
CC(CN(C)C(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004613889	0	38	-1.0	-63.68	316.81	3.29	-60.39
CC(CN(C)C(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004613889	1	38	-1.0	-63.66	316.86	3.31	-60.35
CC(CN(C)C(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004613890	0	31	-1.0	-57.47	265.44	3.95	-53.52
CC(CN(C)C(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004613890	1	31	-1.0	-57.45	265.39	3.94	-53.51
COCC(C)(O)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613891	0	39	-1.0	-47.13	307.25	1.03	-46.10
COCC(C)(O)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613891	1	39	-1.0	-47.15	307.32	1.05	-46.10
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CS1	REAL250004613892	0	35	-1.0	-46.00	292.86	4.54	-41.46
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CS1	REAL250004613892	1	35	-1.0	-46.00	292.92	4.55	-41.45
CCCCN1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004613894	0	40	-1.0	-44.79	328.88	3.45	-41.34
CCCCN1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004613894	1	40	-1.0	-44.80	328.82	3.44	-41.36
COC(=O)[C@@H]1[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1(C)C	REAL250004613895	0	41	-1.0	-47.72	324.49	4.83	-42.89
COC(=O)[C@@H]1[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1(C)C	REAL250004613895	1	41	-1.0	-47.70	324.54	4.84	-42.86
CCC1=NOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613896	0	36	-1.0	-50.67	293.20	3.43	-47.24
CCC1=NOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613896	1	36	-1.0	-50.70	293.26	3.44	-47.26
CC1=NOC2(CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)C2)C1	REAL250004613897	0	40	-1.0	-47.43	322.60	3.60	-43.83
CC1=NOC2(CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)C2)C1	REAL250004613897	1	40	-1.0	-47.46	322.66	3.61	-43.85
CCCC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1C	REAL250004613898	0	41	-1.0	-45.56	331.37	4.50	-41.06
CCCC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1C	REAL250004613898	1	41	-1.0	-45.52	331.43	4.52	-41.00
CCCC1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613899	0	41	-1.0	-45.01	326.24	3.97	-41.04
CCCC1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613899	1	41	-1.0	-45.05	326.30	3.98	-41.07
CC(C)CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL250004613901	0	40	-1.0	-43.74	325.94	4.90	-38.84
CC(C)CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL250004613901	1	40	-1.0	-43.76	326.00	4.92	-38.84
CC1=C(C2CC2)ON=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613902	0	38	-1.0	-43.91	313.25	5.01	-38.90
CC1=C(C2CC2)ON=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613902	1	38	-1.0	-43.87	313.31	5.03	-38.84
CC(CN(C)C(=O)C(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004613903	0	39	-1.0	-43.04	304.05	2.97	-40.07
CC(CN(C)C(=O)C(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004613903	1	39	-1.0	-43.07	304.10	2.99	-40.08
CCC1=CC=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613904	0	37	-1.0	-43.67	302.71	4.74	-38.93
CCC1=CC=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613904	1	37	-1.0	-43.66	302.77	4.75	-38.91
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SN=C1	REAL250004613905	0	31	-1.0	-40.98	266.27	2.30	-38.68
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SN=C1	REAL250004613905	1	31	-1.0	-40.95	266.22	2.29	-38.66
CC(CN(C)C(=O)C(C)(C)CCC#N)C1=N[N-]N=N1	REAL250004613906	0	38	-1.0	-54.65	295.40	3.85	-50.80
CC(CN(C)C(=O)C(C)(C)CCC#N)C1=NN=N[N-]1	REAL250004613906	1	38	-1.0	-54.68	295.45	3.87	-50.81
CC(CN(C)C(=O)C(C)(F)C(C)(C)F)C1=N[N-]N=N1	REAL250004613907	0	37	-1.0	-45.38	286.93	3.71	-41.67
CC(CN(C)C(=O)C(C)(F)C(C)(C)F)C1=NN=N[N-]1	REAL250004613907	1	37	-1.0	-45.31	286.99	3.73	-41.58
CC(CN(C)C(=O)C1(C#N)CC2CC2C1)C1=N[N-]N=N1	REAL250004613908	0	37	-1.0	-42.15	289.97	4.04	-38.11
CC(CN(C)C(=O)C1(C#N)CC2CC2C1)C1=NN=N[N-]1	REAL250004613908	1	37	-1.0	-42.19	290.03	4.06	-38.13
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613909	0	43	-1.0	-42.18	327.21	3.93	-38.25
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613909	1	43	-1.0	-42.20	327.27	3.94	-38.26
CC(CN(C)C(=O)C1CC(=O)NC1(C)C)C1=N[N-]N=N1	REAL250004613910	0	39	-1.0	-45.69	302.01	0.79	-44.90
CC(CN(C)C(=O)C1CC(=O)NC1(C)C)C1=NN=N[N-]1	REAL250004613910	1	39	-1.0	-45.68	302.07	0.80	-44.88
CC(CN(C)C(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=N[N-]N=N1	REAL250004613911	0	37	-1.0	-49.99	296.00	1.03	-48.96
CC(CN(C)C(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=NN=N[N-]1	REAL250004613911	1	37	-1.0	-49.99	296.06	1.04	-48.95
CC(CN(C)C(=O)CC1CC(C)OC1C)C1=N[N-]N=N1	REAL250004613912	0	42	-1.0	-42.82	321.06	3.53	-39.29
CC(CN(C)C(=O)CC1CC(C)OC1C)C1=NN=N[N-]1	REAL250004613912	1	42	-1.0	-42.80	321.12	3.54	-39.26
CC(CN(C)C(=O)C1=COC(Cl)=C1)C1=N[N-]N=N1	REAL250004613913	0	29	-1.0	-41.05	260.58	2.69	-38.36
CC(CN(C)C(=O)C1=COC(Cl)=C1)C1=NN=N[N-]1	REAL250004613913	1	29	-1.0	-41.02	260.64	2.70	-38.32
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC(F)=C1	REAL250004613914	0	32	-1.0	-42.91	276.51	3.75	-39.16
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC(F)=C1	REAL250004613914	1	32	-1.0	-42.97	276.56	3.76	-39.21
CC(CN(C)C(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=N[N-]N=N1	REAL250004613915	0	38	-1.0	-48.51	299.03	4.72	-43.79
CC(CN(C)C(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=NN=N[N-]1	REAL250004613915	1	38	-1.0	-48.49	299.09	4.73	-43.76
COC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL250004613916	0	37	-1.0	-44.67	304.81	-0.67	-45.34
COC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL250004613916	1	37	-1.0	-44.65	304.87	-0.66	-45.31
COC(=O)CC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004613917	0	41	-1.0	-41.92	334.17	4.83	-37.09
COC(=O)CC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004613917	1	41	-1.0	-41.88	334.23	4.84	-37.04
CC(CC1=CC=NC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613918	0	40	-1.0	-46.28	319.45	4.41	-41.87
CC(CC1=CC=NC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613918	1	40	-1.0	-46.35	319.50	4.43	-41.92
CC(CN(C)C(=O)C1C2C3CC1CC32)C1=N[N-]N=N1	REAL250004613919	0	37	-1.0	-44.17	284.29	4.88	-39.29
CC(CN(C)C(=O)C1C2C3CC1CC32)C1=NN=N[N-]1	REAL250004613919	1	37	-1.0	-44.15	284.34	4.90	-39.25
CC(CN(C)C(=O)C1CC(N2C=CN=C2)C1)C1=N[N-]N=N1	REAL250004613920	0	39	-1.0	-49.92	315.23	5.41	-44.51
CC(CN(C)C(=O)C1CC(N2C=CN=C2)C1)C1=NN=N[N-]1	REAL250004613920	1	39	-1.0	-49.94	315.29	5.43	-44.51
CC(C)CCCOCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613921	0	44	-1.0	-50.01	347.05	5.34	-44.67
CC(C)CCCOCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613921	1	44	-1.0	-50.03	347.10	5.35	-44.68
CC1=CC=CC(C(O)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004613922	0	39	-1.0	-47.02	310.22	3.39	-43.63
CC1=CC=CC(C(O)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004613922	1	39	-1.0	-47.04	310.28	3.40	-43.64
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN1C	REAL250004613923	0	36	-1.0	-49.82	290.62	4.18	-45.64
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN1C	REAL250004613923	1	36	-1.0	-49.82	290.68	4.19	-45.63
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL250004613924	0	38	-1.0	-51.18	313.78	5.60	-45.58
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL250004613924	1	38	-1.0	-51.16	313.83	5.61	-45.55
CC(CN(C)C(=O)C1(O)CCCC(C)CC1)C1=N[N-]N=N1	REAL250004613925	0	45	-1.0	-43.96	323.41	2.84	-41.12
CC(CN(C)C(=O)C1(O)CCCC(C)CC1)C1=NN=N[N-]1	REAL250004613925	1	45	-1.0	-43.93	323.47	2.86	-41.07
CC(CN(C)C(=O)CC1=CN=NS1)C1=N[N-]N=N1	REAL250004613926	0	30	-1.0	-51.32	269.18	1.76	-49.56
CC(CN(C)C(=O)CC1=CN=NS1)C1=NN=N[N-]1	REAL250004613926	1	30	-1.0	-51.32	269.24	1.78	-49.54
CCOC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CS1	REAL250004613927	0	36	-1.0	-52.02	307.44	3.59	-48.43
CCOC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CS1	REAL250004613927	1	36	-1.0	-52.02	307.50	3.61	-48.41
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004613929	0	39	-1.0	-44.00	317.30	6.42	-37.58
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004613929	1	39	-1.0	-43.98	317.35	6.44	-37.54
CCC(=CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613930	0	42	-1.0	-45.60	335.32	6.65	-38.95
CCC(=CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613930	1	42	-1.0	-45.61	335.38	6.66	-38.95
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004613931	0	38	-1.0	-47.87	327.36	4.59	-43.28
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004613931	1	38	-1.0	-47.88	327.42	4.61	-43.27
CC[C@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004613932	0	32	-1.0	-55.89	284.10	4.83	-51.06
CC[C@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004613932	1	32	-1.0	-55.65	284.20	4.85	-50.80
CC[C@H](C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613933	0	29	-1.0	-38.01	270.32	1.71	-36.30
CC[C@H](C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613933	1	29	-1.0	-37.98	270.38	1.71	-36.27
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(F)F)C=C1	REAL250004613934	0	35	-1.0	-47.95	313.25	4.41	-43.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(F)F)C=C1	REAL250004613934	1	35	-1.0	-47.93	313.31	4.43	-43.50
CCC(CC#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004613936	0	35	-1.0	-60.12	298.85	5.36	-54.76
CCC(CC#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004613936	1	35	-1.0	-59.96	298.92	5.38	-54.58
CCC(CC#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613937	0	32	-1.0	-43.62	284.70	2.25	-41.37
CCC(CC#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613937	1	32	-1.0	-43.60	284.77	2.26	-41.34
CN1C=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004613938	0	35	-1.0	-54.10	303.40	1.95	-52.15
CN1C=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004613938	1	35	-1.0	-54.14	303.46	1.96	-52.18
CN1C=CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004613939	0	35	-1.0	-41.08	314.00	1.74	-39.34
CN1C=CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004613939	1	35	-1.0	-41.07	314.06	1.75	-39.32
CN(C[C@H]1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004613940	0	36	-1.0	-51.64	292.37	3.20	-48.44
CN(C[C@H]1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004613940	1	36	-1.0	-51.66	292.42	3.21	-48.45
CN(C[C@H]1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613941	0	36	-1.0	-39.29	299.72	3.60	-35.69
CN(C[C@H]1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613941	1	36	-1.0	-39.27	299.80	3.63	-35.64
COCC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004613942	0	42	-1.0	-51.17	325.87	4.35	-46.82
COCC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004613942	1	42	-1.0	-51.18	325.93	4.36	-46.82
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004613943	0	44	-1.0	-46.30	332.08	5.64	-40.66
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004613943	1	44	-1.0	-46.29	332.14	5.66	-40.63
CC(C)OC1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004613944	0	45	-1.0	-45.80	357.87	3.95	-41.85
CC(C)OC1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004613944	1	45	-1.0	-45.80	357.92	3.96	-41.84
CCC(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004613945	0	34	-1.0	-48.64	290.21	3.54	-45.10
CCC(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004613945	1	34	-1.0	-48.64	290.26	3.56	-45.08
CC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004613946	0	36	-1.0	-51.51	301.88	2.09	-49.42
CC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004613946	1	36	-1.0	-51.50	301.93	2.11	-49.39
CCC1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004613947	0	42	-1.0	-46.26	329.10	7.04	-39.22
CCC1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004613947	1	42	-1.0	-46.24	329.15	7.04	-39.20
CCOC(=O)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004613949	0	38	-1.0	-49.97	324.83	0.16	-49.81
CCOC(=O)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004613949	1	38	-1.0	-49.97	324.89	0.18	-49.79
O=C(CCCC1=NN=N[N-]1)N1CCOC2=NC=CC=C2C1	REAL250004613950	0	36	-1.0	-49.53	298.93	1.63	-47.90
O=C(CCCC1=N[N-]N=N1)N1CCOC2=NC=CC=C2C1	REAL250004613950	1	36	-1.0	-49.57	298.87	1.61	-47.96
CCN(CCC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004613951	0	38	-1.0	-47.03	306.32	5.71	-41.32
CCN(CCC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004613951	1	38	-1.0	-47.03	306.37	5.72	-41.31
CCN(CCC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613952	0	38	-1.0	-35.59	316.62	6.53	-29.06
CCN(CCC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613952	1	38	-1.0	-35.59	316.69	6.55	-29.04
CC(C)[C@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004613953	0	35	-1.0	-55.60	302.40	5.34	-50.26
CC(C)[C@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004613953	1	35	-1.0	-55.41	302.50	5.36	-50.05
CC(C)[C@H](C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613954	0	32	-1.0	-37.95	284.96	1.93	-36.02
CC(C)[C@H](C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613954	1	32	-1.0	-37.93	285.03	1.93	-36.00
O=C(NC1=CN=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613955	0	27	-1.0	-35.91	253.61	1.17	-34.74
O=C(NC1=CN=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613955	1	27	-1.0	-35.81	253.32	1.17	-34.64
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004613956	0	44	-1.0	-46.45	325.62	4.75	-41.70
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004613956	1	44	-1.0	-46.44	325.68	4.77	-41.67
C#CCCN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004613957	0	33	-1.0	-49.19	298.09	5.03	-44.16
C#CCCN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004613957	1	33	-1.0	-49.19	298.15	5.05	-44.14
O=C(CCCC1=N[N-]N=N1)NCCC1=C2NC=CC2=CC=C1	REAL250004613958	0	39	-1.0	-51.06	332.00	4.26	-46.80
O=C(CCCC1=NN=N[N-]1)NCCC1=C2NC=CC2=CC=C1	REAL250004613958	1	39	-1.0	-51.05	332.06	4.28	-46.77
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=CC=C1	REAL250004613959	0	39	-1.0	-47.60	329.07	2.00	-45.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=CC=C1	REAL250004613959	1	39	-1.0	-47.65	329.13	2.01	-45.64
CCC1(CC)CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004613960	0	42	-1.0	-45.01	321.51	6.06	-38.95
CCC1(CC)CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004613960	1	42	-1.0	-45.09	321.57	6.08	-39.01
COCCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004613961	0	39	-1.0	-48.71	318.21	3.27	-45.44
COCCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004613961	1	39	-1.0	-48.73	318.27	3.29	-45.44
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC=C2C1	REAL250004613962	0	36	-1.0	-47.98	302.03	4.77	-43.21
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC=C2C1	REAL250004613962	1	36	-1.0	-48.00	302.09	4.78	-43.22
CC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004613963	0	39	-1.0	-47.07	300.46	1.29	-45.78
CC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004613963	1	39	-1.0	-47.05	300.52	1.31	-45.74
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCOCC1	REAL250004613964	0	40	-1.0	-46.20	306.80	2.98	-43.22
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCOCC1	REAL250004613964	1	40	-1.0	-46.23	306.85	2.99	-43.24
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCOCC1	REAL250004613965	0	43	-1.0	-46.20	331.86	-0.33	-46.53
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCOCC1	REAL250004613965	1	43	-1.0	-46.25	331.92	-0.31	-46.56
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004613966	0	39	-1.0	-46.53	307.13	1.91	-44.62
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004613966	1	39	-1.0	-46.57	307.18	1.92	-44.65
CC(C)OC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004613967	0	40	-1.0	-48.81	338.24	3.65	-45.16
CC(C)OC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004613967	1	40	-1.0	-48.81	338.30	3.66	-45.15
O=C(CCCC1=N[N-]N=N1)NC1CCOC(C2CC2)C1	REAL250004613968	0	40	-1.0	-46.57	325.13	3.08	-43.49
O=C(CCCC1=NN=N[N-]1)NC1CCOC(C2CC2)C1	REAL250004613968	1	40	-1.0	-46.56	325.18	3.09	-43.47
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1C1CC1	REAL250004613969	0	43	-1.0	-48.12	339.23	3.31	-44.81
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1C1CC1	REAL250004613969	1	43	-1.0	-48.16	339.29	3.32	-44.84
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NC2=CC=CN=C21	REAL250004613971	0	34	-1.0	-58.01	296.81	5.73	-52.28
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NC2=CC=CN=C21	REAL250004613971	1	34	-1.0	-57.98	296.75	5.72	-52.26
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(F)C=CC=C21	REAL250004613972	0	33	-1.0	-45.56	279.93	5.38	-40.18
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(F)C=CC=C21	REAL250004613972	1	33	-1.0	-45.52	279.99	5.39	-40.13
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCCO1	REAL250004613973	0	42	-1.0	-47.34	336.69	3.15	-44.19
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCCO1	REAL250004613973	1	42	-1.0	-47.35	336.74	3.17	-44.18
O=C(CCCC1=N[N-]N=N1)OC1=CC=CC2=C1OCCO2	REAL250004613974	0	34	-1.0	-48.65	297.26	5.18	-43.47
O=C(CCCC1=NN=N[N-]1)OC1=CC=CC2=C1OCCO2	REAL250004613974	1	34	-1.0	-48.68	297.32	5.19	-43.49
CN1N=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004613975	0	35	-1.0	-52.24	300.85	1.81	-50.43
CN1N=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004613975	1	35	-1.0	-52.21	300.90	1.82	-50.39
CN1N=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613976	0	35	-1.0	-39.34	311.44	1.60	-37.74
CN1N=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613976	1	35	-1.0	-39.28	311.51	1.60	-37.68
CC(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004613977	0	31	-1.0	-48.88	276.36	2.92	-45.96
CC(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004613977	1	31	-1.0	-48.86	276.42	2.93	-45.93
CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613978	0	26	-1.0	-42.50	255.62	2.41	-40.09
CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613978	1	26	-1.0	-42.48	255.56	2.40	-40.08
CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613979	0	29	-1.0	-42.46	276.22	3.22	-39.24
CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613979	1	29	-1.0	-42.48	276.16	3.20	-39.28
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC1	REAL250004613980	0	30	-1.0	-43.83	286.73	3.99	-39.84
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CC1	REAL250004613980	1	30	-1.0	-43.84	286.67	3.97	-39.87
COCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613981	0	30	-1.0	-45.14	288.94	2.58	-42.56
COCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613981	1	30	-1.0	-45.13	288.88	2.57	-42.56
CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613982	0	32	-1.0	-42.34	297.71	3.98	-38.36
CCCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613982	1	32	-1.0	-42.32	297.66	3.97	-38.35
CC(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613983	0	32	-1.0	-42.20	295.76	3.88	-38.32
CC(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613983	1	32	-1.0	-42.19	295.70	3.87	-38.32
CC(O)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613984	0	30	-1.0	-42.96	287.01	1.06	-41.90
CC(O)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613984	1	30	-1.0	-42.95	286.95	1.04	-41.91
O=C(CO)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613985	0	27	-1.0	-46.78	266.69	0.30	-46.48
O=C(CO)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613985	1	27	-1.0	-46.75	266.63	0.29	-46.46
N#CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613986	0	27	-1.0	-47.74	275.68	2.90	-44.84
N#CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613986	1	27	-1.0	-47.71	275.62	2.88	-44.83
CC#CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613987	0	28	-1.0	-45.05	283.34	3.84	-41.21
CC#CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613987	1	28	-1.0	-45.06	283.29	3.83	-41.23
C[C@H](O)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613988	0	30	-1.0	-42.96	287.02	1.07	-41.89
C[C@H](O)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613988	1	30	-1.0	-42.97	286.96	1.05	-41.92
C[C@@H](O)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613989	0	30	-1.0	-41.40	287.02	1.06	-40.34
C[C@@H](O)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613989	1	30	-1.0	-41.34	286.96	1.04	-40.30
CC=CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613990	0	30	-1.0	-43.17	289.79	3.84	-39.33
CC=CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613990	1	30	-1.0	-43.15	289.73	3.82	-39.33
NC(=O)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004613991	0	27	-1.0	-39.91	271.56	-1.46	-41.37
NC(=O)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004613991	1	27	-1.0	-39.90	271.50	-1.47	-41.37
COC(=O)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004613992	0	35	-1.0	-50.15	302.97	-0.76	-50.91
COC(=O)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004613992	1	35	-1.0	-50.18	303.02	-0.75	-50.93
CN(C)C1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004613993	0	38	-1.0	-48.51	325.79	3.93	-44.58
CN(C)C1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004613993	1	38	-1.0	-48.45	325.73	3.91	-44.54
COC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004613994	0	45	-1.0	-47.32	351.73	3.56	-43.76
COC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004613994	1	45	-1.0	-47.40	351.79	3.57	-43.83
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004613995	0	39	-1.0	-46.62	319.07	1.67	-44.95
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004613995	1	39	-1.0	-46.64	319.13	1.69	-44.95
C=CCC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004613996	0	36	-1.0	-51.97	308.70	2.34	-49.63
C=CCC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004613996	1	36	-1.0	-51.76	308.77	2.36	-49.40
C=CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004613997	0	33	-1.0	-36.68	294.51	-0.76	-37.44
C=CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004613997	1	33	-1.0	-36.68	294.58	-0.74	-37.42
CC1=CSC(C(C)CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004613999	0	37	-1.0	-49.09	325.20	2.62	-46.47
CC1=CSC(C(C)CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004613999	1	37	-1.0	-49.14	325.26	2.64	-46.50
O=C(NCC(F)(F)CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614000	0	32	-1.0	-52.95	288.03	1.08	-51.87
O=C(NCC(F)(F)CO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614000	1	32	-1.0	-52.76	288.10	1.10	-51.66
O=C(NCC(F)(F)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614001	0	29	-1.0	-38.58	273.88	-2.02	-40.60
O=C(NCC(F)(F)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614001	1	29	-1.0	-38.54	273.94	-2.01	-40.55
CN(CC1(O)CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004614002	0	36	-1.0	-46.79	288.25	1.70	-45.09
CN(CC1(O)CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004614002	1	36	-1.0	-46.75	288.31	1.71	-45.04
CN(CC1(O)CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614003	0	36	-1.0	-35.36	296.45	2.05	-33.31
CN(CC1(O)CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614003	1	36	-1.0	-35.27	296.51	2.07	-33.20
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004614004	0	33	-1.0	-46.87	300.40	1.08	-45.79
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004614004	1	33	-1.0	-46.90	300.45	1.10	-45.80
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004614005	0	32	-1.0	-61.15	280.25	2.00	-59.15
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004614005	1	32	-1.0	-61.18	280.31	2.02	-59.16
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1	REAL250004614006	0	32	-1.0	-48.33	290.84	1.79	-46.54
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1	REAL250004614006	1	32	-1.0	-48.31	290.91	1.81	-46.50
CNC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614007	0	33	-1.0	-53.86	286.03	0.21	-53.65
CNC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614007	1	33	-1.0	-53.87	286.09	0.23	-53.64
CNC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614008	0	33	-1.0	-40.33	293.99	0.15	-40.18
CNC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614008	1	33	-1.0	-40.34	294.06	0.16	-40.18
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004614009	0	38	-1.0	-47.89	316.17	4.83	-43.06
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004614009	1	38	-1.0	-47.94	316.23	4.84	-43.10
CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004614010	0	42	-1.0	-44.77	322.24	7.57	-37.20
CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004614010	1	42	-1.0	-44.78	322.29	7.59	-37.19
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004614012	0	41	-1.0	-46.86	306.81	5.29	-41.57
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004614012	1	41	-1.0	-46.88	306.87	5.30	-41.58
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004614014	0	41	-1.0	-47.08	312.42	4.01	-43.07
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004614014	1	41	-1.0	-47.08	312.49	4.03	-43.05
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2N=C1	REAL250004614015	0	35	-1.0	-51.73	306.00	2.28	-49.45
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2N=C1	REAL250004614015	1	35	-1.0	-51.77	306.06	2.29	-49.48
CC1(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614017	0	36	-1.0	-48.26	287.80	0.91	-47.35
CC1(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614017	1	36	-1.0	-48.26	287.86	0.93	-47.33
CC1(CO)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614018	0	36	-1.0	-39.23	291.65	2.76	-36.47
CC1(CO)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614018	1	36	-1.0	-39.20	291.71	2.76	-36.44
COC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004614019	0	36	-1.0	-57.40	304.18	3.77	-53.63
COC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004614019	1	36	-1.0	-57.16	304.25	3.79	-53.37
COC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614020	0	33	-1.0	-37.16	290.00	0.66	-36.50
COC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614020	1	33	-1.0	-37.17	290.06	0.67	-36.50
CCCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614021	0	41	-1.0	-46.22	311.39	5.61	-40.61
CCCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614021	1	41	-1.0	-46.23	311.44	5.63	-40.60
CC1=CN=C(C(C)CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004614022	0	37	-1.0	-50.73	326.11	2.86	-47.87
CC1=CN=C(C(C)CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004614022	1	37	-1.0	-50.74	326.17	2.87	-47.87
CC1(C)OCC(NC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004614023	0	37	-1.0	-50.11	298.73	0.71	-49.40
CC1(C)OCC(NC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004614023	1	37	-1.0	-50.12	298.79	0.72	-49.40
CC(O)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614024	0	40	-1.0	-45.44	312.50	-0.11	-45.55
CC(O)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614024	1	40	-1.0	-45.48	312.55	-0.10	-45.58
O=C(CCCC1=N[N-]N=N1)NCCC1=CCCCCC1	REAL250004614025	0	42	-1.0	-46.65	332.11	5.00	-41.65
O=C(CCCC1=NN=N[N-]1)NCCC1=CCCCCC1	REAL250004614025	1	42	-1.0	-46.69	332.17	5.02	-41.67
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCOC1	REAL250004614026	0	34	-1.0	-46.31	279.52	-2.81	-49.12
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCOC1	REAL250004614026	1	34	-1.0	-46.32	279.58	-2.79	-49.11
O=C(NC1(CO)CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614027	0	34	-1.0	-37.82	290.06	-3.06	-40.88
O=C(NC1(CO)CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614027	1	34	-1.0	-37.78	290.13	-3.05	-40.83
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004614028	0	38	-1.0	-49.18	329.03	3.38	-45.80
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004614028	1	38	-1.0	-49.20	329.09	3.40	-45.80
CCN(CC(F)F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614029	0	34	-1.0	-41.58	285.61	6.15	-35.43
CCN(CC(F)F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614029	1	34	-1.0	-41.49	285.70	6.15	-35.34
CCN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614030	0	31	-1.0	-39.00	273.13	4.43	-34.57
CCN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614030	1	31	-1.0	-39.00	273.20	4.43	-34.57
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004614031	0	36	-1.0	-48.33	295.75	2.66	-45.67
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004614031	1	36	-1.0	-48.32	295.81	2.67	-45.65
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004614032	0	34	-1.0	-50.56	304.20	2.06	-48.50
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004614032	1	34	-1.0	-50.61	304.25	2.07	-48.54
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004614033	0	44	-1.0	-46.15	326.09	4.81	-41.34
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004614033	1	44	-1.0	-46.12	326.15	4.82	-41.30
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004614034	0	44	-1.0	-46.07	328.83	5.11	-40.96
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004614034	1	44	-1.0	-46.06	328.89	5.12	-40.94
CC(C)(CC(N)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004614035	0	35	-1.0	-54.65	281.37	-1.49	-56.14
CC(C)(CC(N)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004614035	1	35	-1.0	-54.66	281.43	-1.47	-56.13
CC(C)(CC(N)=O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614036	0	35	-1.0	-40.50	291.95	-1.70	-42.20
CC(C)(CC(N)=O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614036	1	35	-1.0	-40.51	292.02	-1.68	-42.19
CNC(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614037	0	42	-1.0	-53.66	339.09	1.33	-52.33
CNC(=O)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614037	1	42	-1.0	-53.71	339.14	1.34	-52.37
CSCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614038	0	36	-1.0	-47.31	315.53	5.42	-41.89
CSCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614038	1	36	-1.0	-47.29	315.59	5.44	-41.85
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004614039	0	35	-1.0	-45.47	314.56	4.58	-40.89
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004614039	1	35	-1.0	-45.50	314.61	4.59	-40.91
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC=C1Cl	REAL250004614040	0	30	-1.0	-48.42	279.48	1.74	-46.68
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC=C1Cl	REAL250004614040	1	30	-1.0	-48.45	279.53	1.76	-46.69
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004614041	0	35	-1.0	-46.81	291.84	0.65	-46.16
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004614041	1	35	-1.0	-46.84	291.90	0.67	-46.17
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)N(C)C	REAL250004614042	0	35	-1.0	-40.73	302.02	0.43	-40.30
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)N(C)C	REAL250004614042	1	35	-1.0	-40.69	302.09	0.45	-40.24
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL250004614043	0	32	-1.0	-52.56	279.03	0.36	-52.20
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL250004614043	1	32	-1.0	-52.34	279.10	0.38	-51.96
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004614044	0	29	-1.0	-40.83	264.88	-2.75	-43.58
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004614044	1	29	-1.0	-40.77	264.94	-2.73	-43.50
CC1(CCNC(=O)CCCC2=N[N-]N=N2)OCCO1	REAL250004614045	0	37	-1.0	-49.37	307.65	0.89	-48.48
CC1(CCNC(=O)CCCC2=NN=N[N-]2)OCCO1	REAL250004614045	1	37	-1.0	-49.36	307.71	0.90	-48.46
CN1C=NN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614046	0	31	-1.0	-68.24	274.84	7.99	-60.25
CN1C=NN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614046	1	31	-1.0	-68.10	275.33	7.96	-60.14
CN1C=NN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614047	0	28	-1.0	-44.83	261.16	4.85	-39.98
CN1C=NN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614047	1	28	-1.0	-44.85	261.10	4.85	-40.00
CCOC1COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004614048	0	40	-1.0	-46.63	322.74	1.16	-45.47
CCOC1COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004614048	1	40	-1.0	-46.64	322.80	1.17	-45.47
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL250004614049	0	34	-1.0	-46.75	298.00	2.60	-44.15
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL250004614049	1	34	-1.0	-46.74	297.94	2.58	-44.16
COC(=O)C1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614050	0	41	-1.0	-54.61	318.81	5.83	-48.78
COC(=O)C1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614050	1	41	-1.0	-54.66	318.86	5.86	-48.80
CCCNC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614051	0	40	-1.0	-47.92	327.49	4.02	-43.90
CCCNC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614051	1	40	-1.0	-47.93	327.55	4.04	-43.89
CC1=CC=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004614052	0	40	-1.0	-46.78	321.98	3.57	-43.21
CC1=CC=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004614052	1	40	-1.0	-46.77	322.04	3.58	-43.19
COCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004614053	0	38	-1.0	-46.12	300.90	1.35	-44.77
COCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004614053	1	38	-1.0	-46.13	300.95	1.36	-44.77
COCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614054	0	38	-1.0	-36.04	311.48	1.14	-34.90
COCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614054	1	38	-1.0	-36.02	311.55	1.15	-34.87
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CCC2)C1	REAL250004614055	0	40	-1.0	-48.40	303.45	3.82	-44.58
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CCC2)C1	REAL250004614055	1	40	-1.0	-48.41	303.51	3.83	-44.58
CON(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004614056	0	36	-1.0	-45.23	306.98	5.29	-39.94
CON(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004614056	1	36	-1.0	-45.27	307.04	5.31	-39.96
CCC(NC(=O)CCCC1=N[N-]N=N1)(C(N)=O)C(C)C	REAL250004614057	0	41	-1.0	-45.81	308.59	0.08	-45.73
CCC(NC(=O)CCCC1=NN=N[N-]1)(C(N)=O)C(C)C	REAL250004614057	1	41	-1.0	-45.77	308.65	0.10	-45.67
CC(C)(C)[C@@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004614058	0	38	-1.0	-45.81	298.28	0.45	-45.36
CC(C)(C)[C@@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004614058	1	38	-1.0	-45.81	298.33	0.46	-45.35
CC(C)(C)[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614059	0	38	-1.0	-36.30	308.87	0.25	-36.05
CC(C)(C)[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614059	1	38	-1.0	-36.28	308.93	0.26	-36.02
CN(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004614060	0	36	-1.0	-54.20	303.94	4.55	-49.65
CN(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004614060	1	36	-1.0	-54.21	304.00	4.57	-49.64
CNC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004614061	0	37	-1.0	-50.94	307.87	0.59	-50.35
CNC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004614061	1	37	-1.0	-50.92	307.92	0.61	-50.31
CON(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004614062	0	36	-1.0	-44.10	284.49	4.07	-40.03
CON(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004614062	1	36	-1.0	-44.14	284.54	4.08	-40.06
CON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004614063	0	36	-1.0	-36.23	295.89	4.57	-31.66
CON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004614063	1	36	-1.0	-36.22	295.95	4.58	-31.64
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004614064	0	38	-1.0	-45.16	322.09	3.48	-41.68
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004614064	1	38	-1.0	-45.19	322.15	3.49	-41.70
CC(C)(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004614065	0	37	-1.0	-55.96	306.36	-0.14	-56.10
CC(C)(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004614065	1	37	-1.0	-55.98	306.41	-0.13	-56.11
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCCO)=C1	REAL250004614066	0	39	-1.0	-50.07	329.10	2.24	-47.83
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCCO)=C1	REAL250004614066	1	39	-1.0	-50.04	329.15	2.25	-47.79
O=C(CCCC1=N[N-]N=N1)NCCN1CCNC(=O)C1	REAL250004614067	0	38	-1.0	-54.63	308.62	-3.00	-57.63
O=C(CCCC1=NN=N[N-]1)NCCN1CCNC(=O)C1	REAL250004614067	1	38	-1.0	-54.62	308.68	-2.98	-57.60
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(F)(F)C1	REAL250004614068	0	29	-1.0	-54.25	260.94	4.67	-49.58
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(F)(F)C1	REAL250004614068	1	29	-1.0	-53.78	260.28	4.79	-48.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(F)(F)C1	REAL250004614069	0	26	-1.0	-36.09	248.24	2.16	-33.93
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(F)(F)C1	REAL250004614069	1	26	-1.0	-36.02	248.31	2.17	-33.85
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCOCC2	REAL250004614071	0	37	-1.0	-48.42	300.24	2.76	-45.66
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCOCC2	REAL250004614071	1	37	-1.0	-48.44	300.29	2.77	-45.67
CC1=CC2=C(C=C1NC(=O)CCCC1=N[N-]N=N1)OCO2	REAL250004614072	0	35	-1.0	-52.13	297.86	2.92	-49.21
CC1=CC2=C(C=C1NC(=O)CCCC1=NN=N[N-]1)OCO2	REAL250004614072	1	35	-1.0	-52.15	297.91	2.93	-49.22
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC(F)=C1	REAL250004614073	0	30	-1.0	-48.85	271.29	1.13	-47.72
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC(F)=C1	REAL250004614073	1	30	-1.0	-48.90	271.35	1.15	-47.75
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(C1)OCCO2	REAL250004614074	0	41	-1.0	-49.52	327.03	2.03	-47.49
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(C1)OCCO2	REAL250004614074	1	41	-1.0	-49.51	327.09	2.04	-47.47
CC(C)(C#N)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614076	0	35	-1.0	-56.76	300.59	5.17	-51.59
CC(C)(C#N)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614076	1	35	-1.0	-56.56	300.66	5.19	-51.37
CC(C)(C#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614077	0	32	-1.0	-37.30	286.43	2.08	-35.22
CC(C)(C#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614077	1	32	-1.0	-37.25	286.50	2.09	-35.16
COCC(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004614078	0	36	-1.0	-47.29	304.99	-0.40	-47.69
COCC(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004614078	1	36	-1.0	-47.27	305.05	-0.38	-47.65
COCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004614079	0	36	-1.0	-36.59	313.99	-0.46	-37.05
COCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004614079	1	36	-1.0	-36.58	314.06	-0.45	-37.03
O=C(NOCC(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614081	0	29	-1.0	-62.47	270.30	4.75	-57.72
O=C(NOCC(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614081	1	29	-1.0	-62.23	270.38	4.77	-57.46
O=C(NOCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614082	0	26	-1.0	-40.77	256.15	1.65	-39.12
O=C(NOCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614082	1	26	-1.0	-40.78	256.22	1.66	-39.12
O=C(CCCC1=N[N-]N=N1)NN1CC2=CC=CC=C2C1=O	REAL250004614083	0	34	-1.0	-60.10	301.75	3.32	-56.78
O=C(CCCC1=NN=N[N-]1)NN1CC2=CC=CC=C2C1=O	REAL250004614083	1	34	-1.0	-60.09	301.81	3.34	-56.75
COCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004614084	0	41	-1.0	-47.95	324.45	2.25	-45.70
COCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004614084	1	41	-1.0	-47.94	324.51	2.26	-45.68
CC1OCCC1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004614085	0	36	-1.0	-45.42	285.72	1.35	-44.07
CC1OCCC1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004614085	1	36	-1.0	-45.46	285.78	1.36	-44.10
CC1OCCC1(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614086	0	36	-1.0	-36.02	296.31	1.14	-34.88
CC1OCCC1(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614086	1	36	-1.0	-36.00	296.38	1.14	-34.86
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL250004614087	0	32	-1.0	-52.48	278.61	0.41	-52.07
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL250004614087	1	32	-1.0	-52.13	279.10	0.38	-51.75
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004614088	0	29	-1.0	-40.82	264.87	-2.75	-43.57
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004614088	1	29	-1.0	-40.75	264.94	-2.73	-43.48
CCCCCN(CCCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004614089	0	47	-1.0	-48.19	376.90	5.65	-42.54
CCCCCN(CCCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004614089	1	47	-1.0	-48.23	376.96	5.67	-42.56
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004614090	0	30	-1.0	-49.23	280.27	0.27	-48.96
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004614090	1	30	-1.0	-49.24	280.33	0.29	-48.95
O=C(CCCC1=N[N-]N=N1)NC1CCC(CO)CC1	REAL250004614091	0	39	-1.0	-49.16	308.52	0.86	-48.30
O=C(CCCC1=NN=N[N-]1)NC1CCC(CO)CC1	REAL250004614091	1	39	-1.0	-49.19	308.58	0.88	-48.31
N#CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614092	0	36	-1.0	-50.96	296.96	4.61	-46.35
N#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614092	1	36	-1.0	-50.96	297.02	4.62	-46.34
N#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004614093	0	36	-1.0	-41.48	304.64	4.86	-36.62
N#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004614093	1	36	-1.0	-41.44	304.71	4.86	-36.58
O=C(NC1=NC=CC=C1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614094	0	32	-1.0	-59.54	283.49	3.22	-56.32
O=C(NC1=NC=CC=C1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614094	1	32	-1.0	-59.34	283.60	3.24	-56.10
O=C(NC1=NC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614095	0	29	-1.0	-40.79	269.71	0.11	-40.68
O=C(NC1=NC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614095	1	29	-1.0	-40.77	269.78	0.11	-40.66
CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1C1CC1	REAL250004614097	0	40	-1.0	-45.36	314.77	2.55	-42.81
CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1C1CC1	REAL250004614097	1	40	-1.0	-45.35	314.83	2.56	-42.79
CC(CO)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614098	0	33	-1.0	-37.48	283.27	-4.82	-42.30
CC(CO)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614098	1	33	-1.0	-37.42	283.33	-4.81	-42.23
COC1=CC(O)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004614099	0	34	-1.0	-52.18	293.79	-0.21	-52.39
COC1=CC(O)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004614099	1	34	-1.0	-52.20	293.85	-0.19	-52.39
C=CCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004614100	0	33	-1.0	-48.47	298.18	3.13	-45.34
C=CCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004614100	1	33	-1.0	-48.48	298.24	3.14	-45.34
C=CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614101	0	33	-1.0	-35.75	308.78	2.92	-32.83
C=CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614101	1	33	-1.0	-35.73	308.84	2.93	-32.80
CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004614102	0	31	-1.0	-62.08	271.50	4.89	-57.19
CC1=NN=C(NC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004614102	1	31	-1.0	-62.08	271.56	4.90	-57.18
CC1=NN=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N1C	REAL250004614103	0	34	-1.0	-68.92	295.86	7.80	-61.12
CC1=NN=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N1C	REAL250004614103	1	34	-1.0	-68.76	295.96	7.82	-60.94
CC1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004614104	0	31	-1.0	-45.08	282.06	4.68	-40.40
CC1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004614104	1	31	-1.0	-45.09	282.12	4.69	-40.40
CC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004614105	0	35	-1.0	-55.76	305.64	1.95	-53.81
CC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004614105	1	35	-1.0	-55.75	305.58	1.93	-53.82
O=C(CCCC1=N[N-]N=N1)NC1CCCCNC1=O	REAL250004614106	0	36	-1.0	-57.07	285.79	0.77	-56.30
O=C(CCCC1=NN=N[N-]1)NC1CCCCNC1=O	REAL250004614106	1	36	-1.0	-57.12	285.85	0.79	-56.33
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OCO2	REAL250004614107	0	32	-1.0	-46.83	279.06	2.01	-44.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OCO2	REAL250004614107	1	32	-1.0	-46.80	279.12	2.03	-44.77
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CC2)C1	REAL250004614108	0	37	-1.0	-49.52	294.58	3.38	-46.14
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CC2)C1	REAL250004614108	1	37	-1.0	-49.49	294.64	3.39	-46.10
CC(=O)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614109	0	38	-1.0	-48.71	302.54	3.44	-45.27
CC(=O)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614109	1	38	-1.0	-48.74	302.60	3.45	-45.29
CC1=NN(C)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004614110	0	35	-1.0	-48.97	303.22	1.84	-47.13
CC1=NN(C)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004614110	1	35	-1.0	-49.01	303.28	1.85	-47.16
CC1=NN(C)C=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614111	0	35	-1.0	-39.23	313.81	1.63	-37.60
CC1=NN(C)C=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614111	1	35	-1.0	-39.23	313.88	1.63	-37.60
CC1=CC=CC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004614112	0	42	-1.0	-48.24	341.20	6.97	-41.27
CC1=CC=CC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004614112	1	42	-1.0	-48.19	341.25	6.99	-41.20
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCC1	REAL250004614113	0	36	-1.0	-49.48	295.86	-0.20	-49.68
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCC1	REAL250004614113	1	36	-1.0	-49.48	295.91	-0.19	-49.67
O=C(NCC1(CO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614114	0	36	-1.0	-36.58	306.19	-0.43	-37.01
O=C(NCC1(CO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614114	1	36	-1.0	-36.54	306.26	-0.43	-36.97
N#CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004614115	0	36	-1.0	-56.00	311.75	4.65	-51.35
N#CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004614115	1	36	-1.0	-56.01	311.81	4.66	-51.35
CSCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004614116	0	41	-1.0	-48.36	349.90	4.80	-43.56
CSCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004614116	1	41	-1.0	-48.35	349.96	4.82	-43.53
CSC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004614117	0	41	-1.0	-46.32	327.58	4.45	-41.87
CSC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004614117	1	41	-1.0	-46.34	327.63	4.46	-41.88
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC(F)=C21	REAL250004614118	0	34	-1.0	-47.74	299.25	2.74	-45.00
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC(F)=C21	REAL250004614118	1	34	-1.0	-47.72	299.31	2.76	-44.96
O=C(NC12CCC(CC1)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614119	0	39	-1.0	-54.96	308.63	6.27	-48.69
O=C(NC12CCC(CC1)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614119	1	39	-1.0	-54.78	309.10	6.25	-48.53
O=C(NC12CCC(CC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614120	0	36	-1.0	-35.92	294.87	3.13	-32.79
O=C(NC12CCC(CC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614120	1	36	-1.0	-35.90	294.94	3.13	-32.77
N#CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614121	0	32	-1.0	-55.89	286.27	4.62	-51.27
N#CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614121	1	32	-1.0	-55.73	286.34	4.64	-51.09
N#CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614122	0	29	-1.0	-40.93	272.12	1.53	-39.40
N#CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614122	1	29	-1.0	-40.87	272.19	1.55	-39.32
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004614123	0	42	-1.0	-47.49	333.70	2.79	-44.70
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004614123	1	42	-1.0	-47.51	333.75	2.80	-44.71
CC(CS(C)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004614124	0	33	-1.0	-51.70	290.74	0.52	-51.18
CC(CS(C)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004614124	1	33	-1.0	-51.69	290.80	0.53	-51.16
CC(CS(C)=O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614125	0	33	-1.0	-45.73	304.01	-0.19	-45.92
CC(CS(C)=O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614125	1	33	-1.0	-45.68	304.08	-0.18	-45.86
CN1C=NC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004614126	0	35	-1.0	-53.38	300.36	3.36	-50.02
CN1C=NC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004614126	1	35	-1.0	-53.41	300.41	3.37	-50.04
CN1C=NC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614127	0	35	-1.0	-40.51	310.95	3.15	-37.36
CN1C=NC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614127	1	35	-1.0	-40.51	311.02	3.16	-37.35
NC1=NC(Cl)=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004614128	0	31	-1.0	-46.24	294.26	1.88	-44.36
NC1=NC(Cl)=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004614128	1	31	-1.0	-46.21	294.31	1.90	-44.31
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=NOC=N2)C1	REAL250004614129	0	35	-1.0	-53.79	298.70	-0.43	-54.22
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=NOC=N2)C1	REAL250004614129	1	35	-1.0	-53.80	298.76	-0.42	-54.22
CC1(NC(=O)CCCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004614130	0	38	-1.0	-46.95	301.99	4.17	-42.78
CC1(NC(=O)CCCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004614130	1	38	-1.0	-46.98	302.05	4.19	-42.79
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2CCCCC2=C1	REAL250004614131	0	38	-1.0	-48.18	311.09	4.05	-44.13
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2CCCCC2=C1	REAL250004614131	1	38	-1.0	-48.20	311.15	4.06	-44.14
O=C(CCCC1=N[N-]N=N1)NC(CO)CC(F)F	REAL250004614132	0	32	-1.0	-47.89	282.99	-0.74	-48.63
O=C(CCCC1=NN=N[N-]1)NC(CO)CC(F)F	REAL250004614132	1	32	-1.0	-47.93	283.05	-0.72	-48.65
O=C(NC(CO)CC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614133	0	32	-1.0	-39.37	291.85	-0.69	-40.06
O=C(NC(CO)CC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614133	1	32	-1.0	-39.33	291.92	-0.67	-40.00
O=C(CCCC1=N[N-]N=N1)NCCC1CC(O)C1	REAL250004614134	0	36	-1.0	-49.45	300.24	-0.09	-49.54
O=C(CCCC1=NN=N[N-]1)NCCC1CC(O)C1	REAL250004614134	1	36	-1.0	-49.45	300.30	-0.08	-49.53
O=C(NCCC1CC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614135	0	36	-1.0	-37.13	310.94	-0.30	-37.43
O=C(NCCC1CC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614135	1	36	-1.0	-37.08	311.01	-0.30	-37.38
C#CCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614136	0	30	-1.0	-39.83	265.24	5.75	-34.08
C#CCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614136	1	30	-1.0	-39.66	265.34	5.77	-33.89
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)C(O)C1	REAL250004614137	0	37	-1.0	-47.85	297.44	-2.24	-50.09
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)C(O)C1	REAL250004614137	1	37	-1.0	-47.89	297.50	-2.22	-50.11
CCNC1=CC(C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614138	0	40	-1.0	-48.46	327.40	3.94	-44.52
CCNC1=CC(C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614138	1	40	-1.0	-48.51	327.46	3.95	-44.56
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN1C1=CC=CC=C1	REAL250004614139	0	36	-1.0	-54.91	313.54	7.86	-47.05
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN1C1=CC=CC=C1	REAL250004614139	1	36	-1.0	-54.84	313.48	7.85	-46.99
CC(=O)OCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004614140	0	35	-1.0	-48.88	303.60	-0.03	-48.91
CC(=O)OCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004614140	1	35	-1.0	-48.87	303.66	-0.01	-48.88
CCCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004614141	0	39	-1.0	-47.79	329.75	4.80	-42.99
CCCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004614141	1	39	-1.0	-47.81	329.80	4.81	-43.00
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004614142	0	37	-1.0	-47.84	313.87	6.14	-41.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004614142	1	37	-1.0	-47.87	313.93	6.16	-41.71
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004614143	0	36	-1.0	-48.81	307.59	1.45	-47.36
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004614143	1	36	-1.0	-48.83	307.64	1.46	-47.37
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C(F)(F)F	REAL250004614144	0	29	-1.0	-47.37	269.06	-1.68	-49.05
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C(F)(F)F	REAL250004614144	1	29	-1.0	-47.32	269.12	-1.66	-48.98
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C2=CC=CC=C21	REAL250004614145	0	40	-1.0	-46.23	320.35	7.04	-39.19
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C2=CC=CC=C21	REAL250004614145	1	40	-1.0	-46.27	320.40	7.06	-39.21
CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004614146	0	39	-1.0	-48.37	312.73	6.29	-42.08
CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004614146	1	39	-1.0	-48.37	312.79	6.30	-42.07
CCOC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614147	0	37	-1.0	-48.53	314.70	0.84	-47.69
CCOC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614147	1	37	-1.0	-48.50	314.76	0.86	-47.64
CCC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614148	0	36	-1.0	-48.69	302.04	2.12	-46.57
CCC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614148	1	36	-1.0	-48.70	302.10	2.13	-46.57
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCS1=O	REAL250004614149	0	37	-1.0	-57.82	303.65	2.49	-55.33
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCS1=O	REAL250004614149	1	37	-1.0	-57.82	303.70	2.50	-55.32
CC(C)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614150	0	36	-1.0	-47.81	298.34	0.79	-47.02
CC(C)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614150	1	36	-1.0	-47.85	298.39	0.80	-47.05
CC(C)C1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614151	0	36	-1.0	-36.71	306.32	0.72	-35.99
CC(C)C1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614151	1	36	-1.0	-36.63	306.39	0.73	-35.90
CC(C)=CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614152	0	38	-1.0	-53.10	317.04	6.07	-47.03
CC(C)=CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614152	1	38	-1.0	-52.89	317.11	6.10	-46.79
CC(C)=CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614153	0	35	-1.0	-35.13	303.44	3.04	-32.09
CC(C)=CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614153	1	35	-1.0	-35.11	303.51	3.04	-32.07
CC1=CC2=NNC=C2C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614154	0	35	-1.0	-51.17	296.68	2.94	-48.23
CC1=CC2=NNC=C2C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614154	1	35	-1.0	-51.18	296.74	2.95	-48.23
COC(=O)C(C)N(C(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004614155	0	41	-1.0	-47.65	318.29	4.86	-42.79
COC(=O)C(C)N(C(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004614155	1	41	-1.0	-47.63	318.35	4.87	-42.76
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCCC2=O)C1	REAL250004614156	0	40	-1.0	-57.77	322.03	3.62	-54.15
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCCC2=O)C1	REAL250004614156	1	40	-1.0	-57.79	322.09	3.64	-54.15
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)N=CNC2=O	REAL250004614157	0	35	-1.0	-56.19	294.11	2.55	-53.64
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)N=CNC2=O	REAL250004614157	1	35	-1.0	-56.16	294.16	2.57	-53.59
CCOC(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004614158	0	37	-1.0	-53.14	315.85	3.28	-49.86
CCOC(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004614158	1	37	-1.0	-53.14	315.91	3.29	-49.85
O=C(CCCC1=N[N-]N=N1)NNC1=NN2C=CC=CC2=N1	REAL250004614159	0	33	-1.0	-54.88	295.10	5.05	-49.83
O=C(CCCC1=NN=N[N-]1)NNC1=NN2C=CC=CC2=N1	REAL250004614159	1	33	-1.0	-54.91	295.16	5.07	-49.84
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004614160	0	36	-1.0	-48.16	294.52	4.95	-43.21
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004614160	1	36	-1.0	-48.15	294.58	4.96	-43.19
CCC(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614161	0	40	-1.0	-52.28	315.53	6.05	-46.23
CCC(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614161	1	40	-1.0	-52.08	315.60	6.08	-46.00
CCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614162	0	37	-1.0	-34.74	301.37	2.97	-31.77
CCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614162	1	37	-1.0	-34.67	301.44	2.98	-31.69
CC1CCSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614163	0	36	-1.0	-48.98	285.83	4.89	-44.09
CC1CCSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614163	1	36	-1.0	-48.99	285.89	4.90	-44.09
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004614164	0	35	-1.0	-56.74	304.19	0.97	-55.77
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004614164	1	35	-1.0	-56.75	304.24	0.99	-55.76
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC(O)=C2C1	REAL250004614165	0	37	-1.0	-47.55	313.38	1.92	-45.63
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC(O)=C2C1	REAL250004614165	1	37	-1.0	-47.58	313.44	1.93	-45.65
CCN1C=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004614166	0	39	-1.0	-48.70	326.34	6.18	-42.52
CCN1C=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004614166	1	39	-1.0	-48.71	326.40	6.19	-42.52
CC(C)=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614167	0	35	-1.0	-52.17	295.17	5.38	-46.79
CC(C)=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614167	1	35	-1.0	-51.94	295.23	5.39	-46.55
CC(C)=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614168	0	32	-1.0	-34.99	281.94	2.24	-32.75
CC(C)=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614168	1	32	-1.0	-34.96	282.01	2.25	-32.71
CC1C2=NN=CN2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614170	0	35	-1.0	-55.32	285.53	4.72	-50.60
CC1C2=NN=CN2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614170	1	35	-1.0	-55.31	285.58	4.74	-50.57
COC(=O)[C@]1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614171	0	38	-1.0	-53.42	313.15	4.36	-49.06
COC(=O)[C@]1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614171	1	38	-1.0	-53.41	313.21	4.38	-49.03
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)O	REAL250004614172	0	41	-1.0	-46.18	313.56	1.54	-44.64
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)O	REAL250004614172	1	41	-1.0	-46.21	313.61	1.55	-44.66
CN(CC1=C2C=CNC2=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004614173	0	39	-1.0	-51.51	321.65	5.37	-46.14
CN(CC1=C2C=CNC2=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004614173	1	39	-1.0	-51.58	321.71	5.38	-46.20
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2CCC2)C=C1	REAL250004614174	0	42	-1.0	-45.75	344.84	6.07	-39.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2CCC2)C=C1	REAL250004614174	1	42	-1.0	-45.78	344.90	6.08	-39.70
CC(=CC1=CC=CC=C1)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004614175	0	42	-1.0	-50.55	341.01	7.25	-43.30
CC(=CC1=CC=CC=C1)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004614175	1	42	-1.0	-50.52	341.07	7.27	-43.25
O=C(CCCC1=N[N-]N=N1)NCCC1CC2=CC=CC=C2C1	REAL250004614176	0	42	-1.0	-48.62	344.07	6.03	-42.59
O=C(CCCC1=NN=N[N-]1)NCCC1CC2=CC=CC=C2C1	REAL250004614176	1	42	-1.0	-48.64	344.13	6.05	-42.59
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1=O	REAL250004614177	0	37	-1.0	-52.21	308.12	2.15	-50.06
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1=O	REAL250004614177	1	37	-1.0	-52.23	308.18	2.17	-50.06
C[C@@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614178	0	29	-1.0	-48.71	263.43	3.89	-44.82
C[C@@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614178	1	29	-1.0	-48.54	263.53	3.89	-44.65
CC1=CC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004614179	0	33	-1.0	-47.27	285.07	3.00	-44.27
CC1=CC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004614179	1	33	-1.0	-47.32	285.13	3.01	-44.31
CC1=CC=CN=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614180	0	33	-1.0	-37.93	295.67	2.79	-35.14
CC1=CC=CN=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614180	1	33	-1.0	-37.90	295.73	2.79	-35.11
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004614181	0	38	-1.0	-53.48	311.13	6.17	-47.31
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004614181	1	38	-1.0	-53.28	311.23	6.19	-47.09
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004614182	0	35	-1.0	-35.23	297.18	3.05	-32.18
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004614182	1	35	-1.0	-35.15	297.25	3.06	-32.09
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCS(=O)C1	REAL250004614183	0	37	-1.0	-54.82	301.14	2.36	-52.46
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCS(=O)C1	REAL250004614183	1	37	-1.0	-54.81	301.19	2.38	-52.43
CC(C)OCC(CO)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004614184	0	42	-1.0	-45.64	331.77	2.41	-43.23
CC(C)OCC(CO)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004614184	1	42	-1.0	-45.63	331.83	2.42	-43.21
O=C(NC1CC(F)(F)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614185	0	32	-1.0	-53.45	283.67	4.98	-48.47
O=C(NC1CC(F)(F)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614185	1	32	-1.0	-53.21	283.77	5.00	-48.21
O=C(NC1CC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614186	0	29	-1.0	-35.53	269.89	1.87	-33.66
O=C(NC1CC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614186	1	29	-1.0	-35.52	269.96	1.87	-33.65
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004614187	0	38	-1.0	-53.47	311.98	6.27	-47.20
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004614187	1	38	-1.0	-53.18	312.64	6.26	-46.92
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004614188	0	35	-1.0	-35.22	298.43	3.14	-32.08
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004614188	1	35	-1.0	-35.20	298.50	3.15	-32.05
CN(CC1(C2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004614189	0	42	-1.0	-48.79	345.09	7.51	-41.28
CN(CC1(C2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004614189	1	42	-1.0	-48.78	345.15	7.53	-41.25
CNC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614190	0	38	-1.0	-53.89	306.35	1.42	-52.47
CNC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614190	1	38	-1.0	-53.89	306.41	1.44	-52.45
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004614191	0	38	-1.0	-46.79	326.97	4.81	-41.98
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004614191	1	38	-1.0	-46.84	327.02	4.83	-42.01
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C(F)F)=C1	REAL250004614192	0	35	-1.0	-49.42	313.25	4.41	-45.01
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C(F)F)=C1	REAL250004614192	1	35	-1.0	-49.42	313.31	4.43	-44.99
CN(CC1(O)CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004614193	0	40	-1.0	-47.33	308.04	0.57	-46.76
CN(CC1(O)CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004614193	1	40	-1.0	-47.38	308.10	0.58	-46.80
O=C(CCCC1=N[N-]N=N1)N1CCCC(OCCO)C1	REAL250004614194	0	40	-1.0	-50.04	322.56	0.46	-49.58
O=C(CCCC1=NN=N[N-]1)N1CCCC(OCCO)C1	REAL250004614194	1	40	-1.0	-50.04	322.62	0.47	-49.57
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614195	0	38	-1.0	-47.00	293.21	4.95	-42.05
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614195	1	38	-1.0	-47.00	293.27	4.96	-42.04
CC1(C)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614196	0	38	-1.0	-34.99	300.87	5.19	-29.80
CC1(C)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614196	1	38	-1.0	-34.96	300.93	5.19	-29.77
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL250004614197	0	30	-1.0	-41.98	273.60	1.13	-40.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1	REAL250004614198	0	31	-1.0	-45.14	279.10	3.12	-42.02
CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614199	0	34	-1.0	-43.94	294.09	3.72	-40.22
CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614200	0	31	-1.0	-50.64	272.14	0.99	-49.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=N1	REAL250004614201	0	30	-1.0	-43.48	269.89	1.34	-42.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C=CC1C2	REAL250004614202	0	36	-1.0	-44.18	294.16	3.49	-40.69
CC(C)=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614203	0	31	-1.0	-42.69	267.03	2.06	-40.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COCCO1	REAL250004614204	0	31	-1.0	-47.23	271.12	0.62	-46.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC(=O)C=C1	REAL250004614205	0	31	-1.0	-46.92	277.59	-0.01	-46.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL250004614206	0	31	-1.0	-43.81	272.97	3.04	-40.77
CC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614207	0	33	-1.0	-46.80	275.80	2.10	-44.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL250004614208	0	37	-1.0	-46.35	298.54	3.29	-43.06
CC(=O)NCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614209	0	34	-1.0	-58.21	298.08	-0.93	-59.14
CC(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614210	0	36	-1.0	-47.07	298.14	2.80	-44.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCO1	REAL250004614211	0	32	-1.0	-50.72	273.59	1.23	-49.49
CSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614212	0	28	-1.0	-49.62	260.63	1.18	-48.44
CSCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614213	0	31	-1.0	-45.79	282.30	1.98	-43.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=[N+]([O-])C=C1	REAL250004614214	0	31	-1.0	-53.32	280.40	1.67	-51.65
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614215	0	31	-1.0	-45.40	278.84	1.89	-43.51
CC(=O)NC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614216	0	34	-1.0	-47.21	295.58	-0.74	-47.95
CC(NC(N)=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614217	0	33	-1.0	-48.08	288.51	-3.52	-51.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(=O)C=C1	REAL250004614218	0	30	-1.0	-42.86	274.83	-1.45	-44.31
CC(=O)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614219	0	32	-1.0	-46.27	282.28	1.42	-44.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CS1	REAL250004614220	0	28	-1.0	-42.39	265.11	2.05	-40.34
CC1=CN=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004614221	0	32	-1.0	-43.15	286.60	0.09	-43.06
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL250004614222	0	34	-1.0	-43.65	294.36	3.71	-39.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL250004614223	0	28	-1.0	-42.76	256.91	1.07	-41.69
CC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614224	0	31	-1.0	-47.01	275.94	-1.56	-48.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)F	REAL250004614225	0	24	-1.0	-47.92	229.90	0.22	-47.70
O=C(C=CC1=CC=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614226	0	32	-1.0	-44.08	289.82	2.46	-41.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1F	REAL250004614227	0	31	-1.0	-47.95	277.52	3.12	-44.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)N1	REAL250004614228	0	32	-1.0	-51.90	279.59	-1.34	-53.24
CC1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614229	0	31	-1.0	-46.59	269.49	2.19	-44.40
CC=CC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614230	0	32	-1.0	-46.93	286.02	2.80	-44.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C[N+]([O-])=C1	REAL250004614231	0	31	-1.0	-60.37	280.24	1.65	-58.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004614232	0	31	-1.0	-46.74	264.31	2.03	-44.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL250004614233	0	34	-1.0	-46.63	280.49	2.62	-44.01
CC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614234	0	34	-1.0	-43.13	289.00	3.73	-39.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC=C1	REAL250004614235	0	30	-1.0	-43.62	268.15	1.28	-42.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1	REAL250004614236	0	31	-1.0	-42.83	279.36	3.11	-39.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1	REAL250004614237	0	30	-1.0	-43.54	267.67	1.29	-42.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOCC1	REAL250004614238	0	35	-1.0	-48.23	290.20	0.88	-47.35
O=C(CC1C=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614239	0	35	-1.0	-47.70	292.94	3.26	-44.44
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CO1	REAL250004614240	0	31	-1.0	-46.42	274.38	1.84	-44.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=C1	REAL250004614241	0	28	-1.0	-43.75	264.31	1.97	-41.78
CC(=O)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614242	0	35	-1.0	-57.38	303.77	2.21	-55.17
O=C(CN1C=NN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614243	0	29	-1.0	-64.51	266.38	0.30	-64.21
CC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614244	0	30	-1.0	-40.71	273.34	1.09	-39.62
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004614245	0	31	-1.0	-45.46	277.74	0.81	-44.65
NC(=O)NCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614246	0	33	-1.0	-58.75	291.30	-3.73	-62.48
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1C	REAL250004614247	0	35	-1.0	-45.15	295.57	3.17	-41.98
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL250004614248	0	31	-1.0	-45.81	275.09	1.74	-44.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC=C1	REAL250004614249	0	28	-1.0	-46.24	256.08	1.04	-45.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CCC1	REAL250004614250	0	35	-1.0	-42.46	291.06	3.20	-39.26
O=C(CCC1=CC=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614251	0	34	-1.0	-44.45	299.74	2.65	-41.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN1	REAL250004614252	0	29	-1.0	-45.30	260.09	0.84	-44.46
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL250004614253	0	35	-1.0	-45.81	299.12	2.69	-43.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC=N1	REAL250004614254	0	29	-1.0	-43.46	264.68	-0.51	-43.97
O=C(CN1C=CC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614255	0	31	-1.0	-56.68	277.80	1.18	-55.50
O=C(CC1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614256	0	37	-1.0	-47.29	300.78	3.35	-43.94
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL250004614257	0	34	-1.0	-46.05	296.57	2.66	-43.39
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614258	0	34	-1.0	-44.90	300.33	2.67	-42.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1C2	REAL250004614259	0	38	-1.0	-46.63	303.37	3.59	-43.04
CC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614260	0	33	-1.0	-46.44	276.05	1.97	-44.47
O=C(CC1=CC=NC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614261	0	33	-1.0	-47.31	292.46	1.96	-45.35
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004614262	0	33	-1.0	-43.42	289.27	1.90	-41.52
CN1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614263	0	32	-1.0	-46.80	278.32	2.51	-44.29
CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614264	0	33	-1.0	-47.24	280.57	2.29	-44.95
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C	REAL250004614265	0	34	-1.0	-48.11	293.58	1.29	-46.82
CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614266	0	36	-1.0	-47.16	302.07	3.07	-44.09
CC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614267	0	36	-1.0	-46.13	290.76	2.62	-43.51
CCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614268	0	39	-1.0	-47.15	323.57	3.85	-43.30
O=C(CCN1C=CC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614269	0	34	-1.0	-44.44	299.98	1.70	-42.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CNC1=O	REAL250004614270	0	31	-1.0	-54.59	275.11	0.30	-54.29
CC(C)SCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614271	0	34	-1.0	-49.25	300.38	2.70	-46.55
CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614272	0	33	-1.0	-43.24	291.50	1.94	-41.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1O	REAL250004614273	0	32	-1.0	-45.87	281.82	1.49	-44.38
CCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614274	0	33	-1.0	-46.62	275.50	2.05	-44.57
N#CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614275	0	29	-1.0	-57.36	281.45	1.82	-55.54
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC=N1	REAL250004614276	0	34	-1.0	-51.57	296.56	1.64	-49.93
CCC1=NNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614277	0	34	-1.0	-47.16	294.38	0.82	-46.34
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1	REAL250004614277	1	34	-1.0	-43.93	294.54	0.79	-43.14
O=C(CN1C=NC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614278	0	30	-1.0	-58.95	272.59	2.60	-56.35
O=C(CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614279	0	31	-1.0	-47.52	268.51	2.29	-45.23
CC(C)OCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614280	0	37	-1.0	-46.12	313.38	1.53	-44.59
CCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL250004614281	0	34	-1.0	-43.71	298.92	0.82	-42.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COCCO1	REAL250004614282	0	33	-1.0	-45.49	282.42	0.03	-45.46
COC(=O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614283	0	30	-1.0	-56.18	269.51	1.60	-54.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=C1	REAL250004614284	0	28	-1.0	-45.13	255.50	-0.47	-45.60
CC(=O)N(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614285	0	34	-1.0	-53.21	295.16	0.81	-52.40
CCC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614286	0	36	-1.0	-46.18	291.46	3.04	-43.14
CC1=NNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614287	0	31	-1.0	-51.37	272.90	0.10	-51.27
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1	REAL250004614287	1	31	-1.0	-44.06	272.82	0.08	-43.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSN=N1	REAL250004614288	0	26	-1.0	-41.94	254.67	-0.57	-42.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=[N+]1[O-]	REAL250004614289	0	31	-1.0	-76.77	277.02	3.12	-73.65
CCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614290	0	37	-1.0	-50.19	314.60	1.55	-48.64
O=C(COCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614291	0	35	-1.0	-51.03	303.82	2.57	-48.46
O=C(CC1CCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614292	0	35	-1.0	-47.45	293.67	1.71	-45.74
CC1=CNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614293	0	32	-1.0	-52.77	278.66	1.61	-51.16
CSC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614294	0	31	-1.0	-49.04	279.19	1.75	-47.29
CCOC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614295	0	34	-1.0	-50.04	290.92	1.72	-48.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNN=C1	REAL250004614296	0	28	-1.0	-44.77	254.80	-0.50	-45.27
CCOC(=O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614297	0	33	-1.0	-55.94	291.38	2.52	-53.42
CC(C)(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614298	0	31	-1.0	-53.68	275.44	1.53	-52.15
COCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614300	0	34	-1.0	-50.19	292.75	0.58	-49.61
CC(F)(F)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614301	0	33	-1.0	-45.29	291.69	2.42	-42.87
CC1=NC=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614302	0	32	-1.0	-45.67	278.97	1.74	-43.93
C=CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614303	0	32	-1.0	-49.62	294.91	2.64	-46.98
CCOC1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614304	0	35	-1.0	-45.12	303.66	1.41	-43.71
CC1=NC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614305	0	32	-1.0	-41.54	287.05	1.09	-40.45
CCSCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614306	0	34	-1.0	-45.75	303.78	2.87	-42.88
COC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614307	0	32	-1.0	-47.61	287.07	-2.15	-49.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NSN=C1	REAL250004614308	0	26	-1.0	-40.27	253.64	-0.98	-41.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=NS1	REAL250004614309	0	26	-1.0	-45.20	254.99	-0.34	-45.54
CCCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614310	0	34	-1.0	-49.30	303.60	2.87	-46.43
CC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004614311	0	35	-1.0	-45.75	294.72	3.51	-42.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC=C1	REAL250004614312	0	27	-1.0	-43.20	251.66	0.30	-42.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CS1	REAL250004614313	0	27	-1.0	-43.28	260.12	0.21	-43.07
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL250004614314	0	31	-1.0	-44.29	277.71	0.08	-44.21
CC1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL250004614315	0	34	-1.0	-56.45	299.68	1.84	-54.61
O=C(C=C1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614316	0	35	-1.0	-46.90	292.73	3.37	-43.53
COC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614317	0	31	-1.0	-50.12	270.46	0.73	-49.39
CC1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614318	0	34	-1.0	-43.45	293.42	1.60	-41.85
CCC=C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614319	0	34	-1.0	-42.86	286.23	2.82	-40.04
CCCC(C)=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614320	0	37	-1.0	-45.51	310.05	3.60	-41.91
CCOC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614321	0	37	-1.0	-49.81	309.83	2.42	-47.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL250004614322	0	32	-1.0	-48.42	271.35	0.07	-48.35
O=C(C=C1CCCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614323	0	38	-1.0	-42.75	308.74	3.92	-38.83
CS(=O)(=O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614324	0	30	-1.0	-65.24	279.10	-2.27	-67.51
COC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614325	0	31	-1.0	-50.12	270.46	0.73	-49.39
CC(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614326	0	34	-1.0	-50.54	292.42	1.72	-48.82
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004614327	0	37	-1.0	-46.48	305.46	3.56	-42.92
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CO1	REAL250004614328	0	30	-1.0	-45.23	269.69	-1.52	-46.75
C=CCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614329	0	35	-1.0	-50.38	306.46	2.36	-48.02
CCN(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614330	1	38	-1.0	-47.95	309.12	0.84	-47.11
CN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614331	0	31	-1.0	-46.36	273.18	0.80	-45.56
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CN=C1	REAL250004614332	0	34	-1.0	-53.70	295.98	2.88	-50.82
CC(C)N(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614333	1	38	-1.0	-47.20	305.50	0.44	-46.76
O=C(CC(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614334	0	27	-1.0	-50.79	254.98	1.16	-49.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNC(=O)C1	REAL250004614335	0	32	-1.0	-53.19	277.84	-1.67	-54.86
CCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614336	0	34	-1.0	-50.41	293.65	1.79	-48.62
COCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614337	0	37	-1.0	-47.74	314.25	1.36	-46.38
NC(=O)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614338	0	34	-1.0	-59.67	296.76	-1.64	-61.31
CCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614340	0	34	-1.0	-48.54	290.83	1.59	-46.95
O=C(CCN1C=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614341	0	34	-1.0	-48.77	299.47	3.30	-45.47
CN1C=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004614342	0	34	-1.0	-52.91	300.40	1.52	-51.39
CCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614343	0	36	-1.0	-46.70	290.27	2.47	-44.23
COC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614344	0	34	-1.0	-48.20	290.39	1.27	-46.93
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL250004614345	0	37	-1.0	-46.80	298.78	3.15	-43.65
CCCC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614346	0	39	-1.0	-46.81	315.53	3.52	-43.29
C=CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614347	0	31	-1.0	-46.99	271.88	2.07	-44.92
CCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614348	0	34	-1.0	-46.14	293.10	0.78	-45.36
COCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614349	0	31	-1.0	-46.20	271.24	-0.18	-46.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCOC1	REAL250004614350	0	35	-1.0	-42.54	289.74	0.92	-41.62
NC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614351	0	32	-1.0	-49.30	281.28	-1.56	-50.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=N1	REAL250004614352	0	27	-1.0	-43.37	260.21	0.04	-43.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COCC1	REAL250004614353	0	30	-1.0	-46.89	264.29	0.58	-46.31
CCC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614354	0	34	-1.0	-46.75	296.54	-0.75	-47.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=C1	REAL250004614355	0	29	-1.0	-48.77	259.94	0.93	-47.84
CN(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614356	0	32	-1.0	-47.53	271.07	-0.92	-48.45
CN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614357	0	31	-1.0	-45.83	278.59	0.86	-44.97
COCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614358	0	35	-1.0	-53.27	305.78	0.24	-53.03
CCCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614359	0	36	-1.0	-46.81	297.00	2.80	-44.01
CC1=NON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614360	0	29	-1.0	-38.07	266.05	0.31	-37.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=N1	REAL250004614361	0	28	-1.0	-46.02	255.61	0.59	-45.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC=N1	REAL250004614362	0	27	-1.0	-43.50	251.70	-2.34	-45.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CCC(=O)N1	REAL250004614363	0	32	-1.0	-51.30	279.92	-1.36	-52.66
CCCN(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614364	1	38	-1.0	-47.57	310.55	0.62	-46.95
CC(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614365	0	28	-1.0	-54.84	256.33	1.02	-53.82
O=C(CC1=CCCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614367	0	38	-1.0	-47.34	313.47	3.95	-43.39
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004614368	0	31	-1.0	-47.84	277.61	0.44	-47.40
COCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614369	0	34	-1.0	-45.49	290.21	0.52	-44.97
C=CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614370	0	32	-1.0	-51.04	285.05	1.57	-49.47
CC1=NN(C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614371	0	34	-1.0	-51.99	295.83	1.42	-50.57
CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004614372	0	34	-1.0	-48.38	299.55	1.68	-46.70
CCCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614373	0	37	-1.0	-50.49	315.15	2.57	-47.92
CC(C)(C)C(=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614374	0	35	-1.0	-40.71	294.57	1.84	-38.87
CC1=NC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614375	0	33	-1.0	-44.40	284.13	1.94	-42.46
CSCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614376	0	34	-1.0	-45.17	299.97	2.55	-42.62
CC1=CC=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614377	0	33	-1.0	-42.97	284.38	1.96	-41.01
O=C(CCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614378	0	34	-1.0	-47.24	290.69	3.08	-44.16
CC(C)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614379	0	36	-1.0	-46.23	291.40	2.62	-43.61
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(C)C	REAL250004614380	0	39	-1.0	-45.78	302.82	2.98	-42.80
COC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614381	0	34	-1.0	-50.37	282.06	1.20	-49.17
O=C(CC1=CC=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614382	0	33	-1.0	-51.16	292.42	1.94	-49.22
CN1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614383	0	36	-1.0	-44.81	298.39	0.20	-44.61
NC1=NC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614384	0	31	-1.0	-42.90	275.11	-1.41	-44.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)NC1CC1	REAL250004614385	0	32	-1.0	-39.73	286.42	-0.71	-40.44
CC(C)(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614386	0	39	-1.0	-46.88	314.31	3.20	-43.68
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004614387	0	32	-1.0	-45.63	283.32	2.18	-43.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CC1	REAL250004614388	0	32	-1.0	-42.78	272.84	2.53	-40.25
O=C(CC1CCOC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614389	0	35	-1.0	-48.54	291.79	0.79	-47.75
O=C(CC1=NNC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614390	0	31	-1.0	-54.69	276.66	0.17	-54.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCCO1	REAL250004614391	0	33	-1.0	-41.68	281.96	1.44	-40.24
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL250004614392	0	34	-1.0	-47.07	297.38	2.85	-44.22
O=C(CC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614393	0	34	-1.0	-47.51	285.48	2.80	-44.71
CCC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614394	0	39	-1.0	-46.07	304.98	3.11	-42.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCS1	REAL250004614395	0	32	-1.0	-47.40	281.73	2.39	-45.01
CN(C)C(=O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614396	0	34	-1.0	-60.89	291.84	1.62	-59.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(=O)N1	REAL250004614397	0	31	-1.0	-49.92	277.30	-0.06	-49.98
O=C(CCC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614398	0	37	-1.0	-47.08	307.31	3.59	-43.49
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614399	0	34	-1.0	-46.74	290.67	2.74	-44.00
CC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614400	0	34	-1.0	-45.20	296.71	2.57	-42.63
O=C(CCN1C=CC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614401	0	35	-1.0	-46.34	304.79	3.59	-42.75
CC1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614402	0	33	-1.0	-46.69	289.40	1.91	-44.78
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=N1	REAL250004614403	0	30	-1.0	-45.88	269.96	-1.63	-47.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCCC21	REAL250004614404	0	35	-1.0	-46.85	285.82	3.45	-43.40
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004614405	0	34	-1.0	-46.53	287.35	2.89	-43.64
N#CC1=CNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614406	0	30	-1.0	-49.52	280.89	1.32	-48.20
O=C(CCC1=COC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614407	0	34	-1.0	-44.65	299.45	2.50	-42.15
CC1=CC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614408	0	33	-1.0	-45.67	285.80	2.02	-43.65
CC=C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614409	0	31	-1.0	-43.17	265.81	2.03	-41.14
CC(C)=C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614410	0	34	-1.0	-46.13	281.06	2.74	-43.39
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004614411	0	37	-1.0	-43.07	301.57	3.02	-40.05
CSC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614412	0	29	-1.0	-42.47	273.18	1.67	-40.80
O=C(CN1C=CN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614413	0	30	-1.0	-62.19	271.65	-0.13	-62.32
O=CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614414	0	31	-1.0	-49.25	284.69	0.46	-48.79
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CN1	REAL250004614415	0	32	-1.0	-48.44	278.18	1.50	-46.94
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004614416	0	34	-1.0	-42.86	281.08	2.54	-40.32
C=CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614417	0	34	-1.0	-47.63	293.38	2.85	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCCC2	REAL250004614418	0	38	-1.0	-46.71	310.34	4.04	-42.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)(F)C1	REAL250004614419	0	31	-1.0	-43.50	277.29	2.21	-41.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NC=C1	REAL250004614420	0	31	-1.0	-58.77	277.95	-0.02	-58.79
CCCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614421	0	37	-1.0	-47.00	311.84	3.53	-43.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCC1	REAL250004614422	0	32	-1.0	-46.42	274.09	2.63	-43.79
CC1=NNC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614423	0	34	-1.0	-53.29	299.42	0.63	-52.66
CC1=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL250004614423	1	34	-1.0	-54.61	298.57	0.73	-53.88
CN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614424	0	32	-1.0	-45.61	283.01	2.64	-42.97
O=C(C=C1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614425	0	32	-1.0	-47.10	276.73	2.74	-44.36
COCC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614426	0	37	-1.0	-49.64	308.74	1.21	-48.43
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL250004614427	0	35	-1.0	-44.35	291.54	0.97	-43.38
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)COC1	REAL250004614428	0	35	-1.0	-45.20	289.53	0.79	-44.41
O=C(CC1=CC=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614429	0	33	-1.0	-51.16	292.42	1.94	-49.22
CCC1(C)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614430	0	37	-1.0	-46.08	301.77	3.38	-42.70
CCCC(C)(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614431	0	37	-1.0	-44.40	306.09	-0.40	-44.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC2	REAL250004614432	0	35	-1.0	-43.07	295.40	3.45	-39.62
CCC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC	REAL250004614433	0	37	-1.0	-45.36	306.99	3.55	-41.81
CC1CC(C#N)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614434	0	35	-1.0	-41.77	303.81	2.81	-38.96
CCC(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614435	0	39	-1.0	-46.98	311.71	3.36	-43.62
CC=C(C=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC	REAL250004614436	0	38	-1.0	-46.39	322.23	3.98	-42.41
CC1CCC(=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614437	0	38	-1.0	-46.37	312.88	3.98	-42.39
CC(C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614438	0	37	-1.0	-47.05	309.25	3.29	-43.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL250004614439	0	32	-1.0	-42.90	279.99	2.35	-40.55
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614440	0	34	-1.0	-46.79	285.32	2.68	-44.11
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)=C1CCCC1	REAL250004614441	0	38	-1.0	-46.79	308.88	4.05	-42.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CCCC1	REAL250004614442	0	35	-1.0	-47.34	288.98	-0.42	-47.76
COCC(C)(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614443	0	35	-1.0	-44.28	300.08	-2.46	-46.74
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614444	0	31	-1.0	-46.43	265.74	2.14	-44.29
CN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614445	0	31	-1.0	-46.15	278.29	2.29	-43.86
CC1=C(C)OC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614446	0	34	-1.0	-42.39	298.44	2.50	-39.89
C=CCC(CC=C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614447	0	38	-1.0	-46.04	319.29	4.13	-41.91
CC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614448	0	35	-1.0	-44.13	299.69	2.09	-42.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C1CC1)C1CC1	REAL250004614449	0	38	-1.0	-45.76	319.11	4.38	-41.38
CC(C)(C)C(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614450	0	37	-1.0	-46.04	298.75	0.95	-45.09
CC1(C)C[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614451	0	34	-1.0	-46.12	284.42	2.75	-43.37
CNC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614452	0	33	-1.0	-48.16	291.10	-2.92	-51.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCO1	REAL250004614453	0	29	-1.0	-51.99	255.77	0.30	-51.69
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL250004614454	0	33	-1.0	-42.95	291.34	1.97	-40.98
CC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614455	0	34	-1.0	-51.78	300.25	2.69	-49.09
CCC(C)C(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614456	0	37	-1.0	-46.88	302.87	0.64	-46.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)C1	REAL250004614457	0	30	-1.0	-45.37	267.04	1.11	-44.26
CC(C)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614458	0	30	-1.0	-43.25	264.30	1.40	-41.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CO1	REAL250004614459	0	27	-1.0	-43.23	251.69	-2.23	-45.46
CC1=NN=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614460	0	32	-1.0	-45.38	279.28	0.86	-44.52
COCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614461	0	37	-1.0	-45.39	307.65	1.17	-44.22
O=C(CN1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614462	0	36	-1.0	-47.32	293.56	-0.01	-47.33
CSC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614463	0	34	-1.0	-48.60	298.13	2.54	-46.06
CCC(SC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614464	0	34	-1.0	-47.97	298.24	2.40	-45.57
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC=C1	REAL250004614465	0	35	-1.0	-46.28	301.15	3.48	-42.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=N1	REAL250004614466	0	27	-1.0	-47.93	250.58	0.21	-47.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCO1	REAL250004614467	0	35	-1.0	-45.72	290.94	2.03	-43.69
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004614468	0	35	-1.0	-45.70	290.13	3.32	-42.38
CCC(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614469	0	37	-1.0	-50.48	313.19	2.53	-47.95
CC(C)C(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614470	0	37	-1.0	-50.61	303.80	0.54	-50.07
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004614471	1	38	-1.0	-47.14	300.70	0.57	-46.57
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC=N1	REAL250004614472	0	32	-1.0	-41.23	286.62	1.76	-39.47
O=C(CC1=CC=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614473	0	31	-1.0	-51.27	278.33	1.86	-49.41
CCCC(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614474	0	37	-1.0	-51.12	311.24	0.60	-50.52
CC1(C)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614475	0	34	-1.0	-46.08	284.70	2.74	-43.34
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614476	0	30	-1.0	-46.61	281.39	1.14	-45.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(CC1)C2	REAL250004614477	0	38	-1.0	-46.40	306.10	3.54	-42.86
CCC(C)=C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614478	0	37	-1.0	-45.84	301.80	3.49	-42.35
O=C(CCCCO)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614479	0	34	-1.0	-48.21	292.00	-1.05	-49.26
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)COC1	REAL250004614480	0	32	-1.0	-45.36	273.09	-0.17	-45.53
CC1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614481	0	37	-1.0	-46.88	300.51	3.25	-43.63
CC1OCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614482	0	35	-1.0	-49.47	288.00	0.70	-48.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC=CO1	REAL250004614483	0	33	-1.0	-45.20	282.72	2.32	-42.88
CC(C)(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614484	0	37	-1.0	-50.20	306.46	2.11	-48.09
N#CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004614485	0	30	-1.0	-54.83	281.10	1.18	-53.65
C#CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614486	0	35	-1.0	-47.93	307.85	3.59	-44.34
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614487	0	35	-1.0	-49.48	303.45	1.07	-48.41
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CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614595	0	34	-1.0	-42.97	290.60	2.96	-40.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1(F)F	REAL250004614596	0	28	-1.0	-46.82	261.08	1.68	-45.14
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)=C1CCC1	REAL250004614597	0	35	-1.0	-47.08	294.11	3.51	-43.57
CC(C)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614598	0	39	-1.0	-47.16	319.64	3.58	-43.58
CC1=CN=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614599	0	33	-1.0	-46.29	284.15	1.97	-44.32
COCC#CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614600	0	30	-1.0	-44.09	278.33	0.44	-43.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NSC=C1	REAL250004614601	0	27	-1.0	-42.37	259.45	0.53	-41.84
C#CCOC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614602	0	33	-1.0	-52.93	296.70	2.26	-50.67
CCC(C)=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614603	0	34	-1.0	-45.69	288.55	2.82	-42.87
O=C(C=CC1=CNN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614604	0	32	-1.0	-47.02	288.23	0.79	-46.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NN=C1	REAL250004614605	0	30	-1.0	-46.90	272.62	-1.40	-48.30
CC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614606	0	32	-1.0	-56.28	282.95	1.31	-54.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CNC(=O)O1	REAL250004614607	0	30	-1.0	-55.88	269.76	-2.28	-58.16
C=CC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614608	0	34	-1.0	-46.73	284.81	2.36	-44.37
O=C(CSC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614609	0	32	-1.0	-49.14	292.69	2.90	-46.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H]1C1CC1	REAL250004614610	0	35	-1.0	-47.02	301.80	3.76	-43.26
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL250004614611	0	34	-1.0	-52.01	299.44	1.75	-50.26
CCC1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614612	0	34	-1.0	-46.38	285.40	2.97	-43.41
O=C(CC1=NC=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614613	0	31	-1.0	-52.21	275.93	0.47	-51.74
C=CC(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614614	0	29	-1.0	-46.69	258.93	-0.76	-47.45
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(F)F	REAL250004614615	0	33	-1.0	-53.21	284.46	2.17	-51.04
N#CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614616	0	31	-1.0	-56.84	279.92	2.03	-54.81
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)N1	REAL250004614617	0	34	-1.0	-44.90	295.57	1.02	-43.88
CC1=NC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614617	1	34	-1.0	-48.72	294.90	1.04	-47.68
CC(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614618	0	27	-1.0	-41.32	249.52	0.95	-40.37
O=CC1=CNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614619	0	31	-1.0	-46.21	283.99	0.62	-45.59
C=CCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614620	0	37	-1.0	-46.48	305.20	3.08	-43.40
N#CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614621	0	32	-1.0	-55.52	285.29	2.38	-53.14
CCCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614622	0	37	-1.0	-48.42	312.33	2.37	-46.05
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614623	0	37	-1.0	-42.89	312.11	3.74	-39.15
CCC(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614624	0	34	-1.0	-51.24	289.74	-0.18	-51.42
O=C(CCCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614625	0	37	-1.0	-43.86	312.19	3.86	-40.00
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614626	0	29	-1.0	-43.91	267.21	1.77	-42.14
CN1N=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614627	0	29	-1.0	-43.77	268.15	-1.23	-45.00
CC1CC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614628	0	34	-1.0	-43.55	287.57	2.93	-40.62
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL250004614629	0	30	-1.0	-44.62	273.76	-0.62	-45.24
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004614630	0	37	-1.0	-47.22	299.22	3.20	-44.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CCOC1	REAL250004614631	0	32	-1.0	-44.04	277.72	0.05	-43.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CCF)CC1	REAL250004614632	0	34	-1.0	-46.78	296.92	2.89	-43.89
O=C(CN1C=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614633	0	31	-1.0	-51.13	278.16	2.81	-48.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)N1	REAL250004614634	0	29	-1.0	-55.67	261.75	-2.89	-58.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCNC1=O	REAL250004614635	0	32	-1.0	-44.20	278.19	-1.67	-45.87
O=C(C=CC1=NC=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614636	0	32	-1.0	-45.62	289.60	1.19	-44.43
CC1CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614637	0	38	-1.0	-46.05	309.87	3.88	-42.17
O=C(CC1CC(=O)N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614638	0	32	-1.0	-53.82	282.93	-1.94	-55.76
O=C(CCC1=CNN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614639	0	34	-1.0	-46.46	298.56	1.02	-45.44
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004614640	0	37	-1.0	-46.79	303.69	3.40	-43.39
O=C(C#CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614641	0	30	-1.0	-42.73	276.63	2.96	-39.77
CC(C)(C)C#CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614642	0	35	-1.0	-42.27	307.09	3.32	-38.95
CC1=CN(C)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614643	0	34	-1.0	-45.59	296.75	1.55	-44.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CCOC1	REAL250004614644	0	33	-1.0	-48.32	279.92	-3.01	-51.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(O)C1CCC1	REAL250004614645	0	35	-1.0	-46.81	291.53	0.89	-45.92
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)N=C1	REAL250004614646	0	34	-1.0	-45.54	300.01	1.38	-44.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004614647	0	30	-1.0	-44.70	276.78	1.88	-42.82
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL250004614648	0	32	-1.0	-43.55	286.60	0.81	-42.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CC2C1	REAL250004614649	0	38	-1.0	-46.40	306.31	3.94	-42.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC2	REAL250004614650	0	32	-1.0	-43.35	280.54	2.98	-40.37
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1(F)F	REAL250004614651	0	31	-1.0	-49.75	276.89	2.32	-47.43
O=C(CC1=NN=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614652	0	30	-1.0	-62.57	270.80	1.14	-61.43
O=C(CC1=NNC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614652	1	30	-1.0	-54.68	272.19	0.58	-54.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)=C1CCC1	REAL250004614653	0	32	-1.0	-42.88	282.38	2.82	-40.06
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1F	REAL250004614654	0	31	-1.0	-46.89	270.68	2.23	-44.66
C=C(C)C(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614655	0	37	-1.0	-46.31	302.94	2.86	-43.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)C1	REAL250004614656	0	38	-1.0	-42.79	312.89	3.89	-38.90
CCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614657	0	34	-1.0	-45.50	299.62	1.71	-43.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CC1	REAL250004614658	0	28	-1.0	-40.26	254.38	1.58	-38.68
O=C(C=CC1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614659	0	38	-1.0	-42.95	316.45	4.01	-38.94
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614660	0	32	-1.0	-43.83	277.99	0.39	-43.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)C1	REAL250004614661	0	33	-1.0	-45.21	284.34	1.75	-43.46
CN1C=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614662	0	34	-1.0	-55.68	299.61	1.50	-54.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CCC1	REAL250004614663	0	34	-1.0	-45.56	284.76	2.62	-42.94
CC1=NOC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614664	0	30	-1.0	-49.47	270.16	1.11	-48.36
CC=C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614665	0	28	-1.0	-39.93	256.11	1.42	-38.51
CCC=C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614666	0	31	-1.0	-39.67	276.42	2.16	-37.51
O=C(CC1CSC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614667	0	32	-1.0	-51.23	285.26	2.43	-48.80
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CN1	REAL250004614668	0	31	-1.0	-48.21	273.88	1.16	-47.05
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC=N1	REAL250004614668	1	31	-1.0	-45.98	272.63	1.22	-44.76
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CN1	REAL250004614669	0	34	-1.0	-45.73	294.97	1.91	-43.82
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC=N1	REAL250004614669	1	34	-1.0	-49.42	294.40	1.94	-47.48
COC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614670	0	32	-1.0	-46.99	275.28	-0.32	-47.31
N#CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614671	0	34	-1.0	-50.92	301.43	2.81	-48.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CC1	REAL250004614672	0	31	-1.0	-44.83	270.73	2.22	-42.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CSC1	REAL250004614673	0	29	-1.0	-51.45	263.54	1.58	-49.87
CCC(CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614674	0	34	-1.0	-46.23	285.20	-1.16	-47.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004614675	0	38	-1.0	-42.90	317.53	4.27	-38.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1COC2	REAL250004614676	0	33	-1.0	-48.64	284.13	0.74	-47.90
CCC(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614677	0	31	-1.0	-47.73	277.30	1.69	-46.04
CCCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614678	0	39	-1.0	-46.84	311.77	3.24	-43.60
CSC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614679	0	34	-1.0	-49.67	292.97	2.32	-47.35
CC(C)(O)C(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614680	0	35	-1.0	-48.90	290.22	-2.13	-51.03
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(=O)C1	REAL250004614681	0	33	-1.0	-47.49	284.94	1.67	-45.82
CCC(O)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614682	0	37	-1.0	-50.64	305.42	0.56	-50.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CC2C1	REAL250004614683	0	35	-1.0	-43.63	290.02	3.37	-40.26
CC=CC(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614684	0	32	-1.0	-46.48	280.64	0.09	-46.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CC21	REAL250004614685	0	38	-1.0	-43.13	304.93	3.88	-39.25
CC1=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL250004614686	0	34	-1.0	-51.24	298.89	2.50	-48.74
CC1(C)CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614687	0	37	-1.0	-46.51	302.37	3.00	-43.51
O=C(COCC(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614688	0	31	-1.0	-57.21	285.16	1.30	-55.91
CCCC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614689	0	34	-1.0	-42.98	293.71	2.89	-40.09
CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614690	0	30	-1.0	-42.35	273.96	-1.50	-43.85
CC1=COC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614691	0	31	-1.0	-50.01	274.94	1.73	-48.28
COCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614692	0	35	-1.0	-48.57	303.69	0.02	-48.55
CN1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614693	0	36	-1.0	-45.57	290.64	-0.45	-46.02
CN1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614694	0	36	-1.0	-48.88	298.44	0.19	-48.69
C[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004614695	1	35	-1.0	-47.17	282.59	-0.59	-47.76
COC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614696	0	35	-1.0	-46.16	297.48	1.00	-45.16
CC(CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614697	0	30	-1.0	-44.95	263.18	1.53	-43.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1COC(=O)N1	REAL250004614698	0	30	-1.0	-53.60	269.75	-2.66	-56.26
CC1=CN=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614699	0	34	-1.0	-50.94	298.18	3.27	-47.67
CCC(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614700	0	30	-1.0	-41.25	269.24	1.65	-39.60
CCN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614701	0	34	-1.0	-45.70	300.39	3.17	-42.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004614702	0	33	-1.0	-43.44	283.69	0.86	-42.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004614703	0	35	-1.0	-42.96	291.78	3.37	-39.59
CC1=NC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614704	0	32	-1.0	-45.60	281.03	0.14	-45.46
C=C1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614705	0	35	-1.0	-42.21	295.10	3.06	-39.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2)C1	REAL250004614706	0	35	-1.0	-47.51	296.27	3.38	-44.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1COC(=O)N1	REAL250004614707	0	30	-1.0	-57.71	269.97	-2.65	-60.36
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004614708	1	35	-1.0	-43.71	285.21	-0.54	-44.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H](O)C1	REAL250004614709	0	32	-1.0	-47.07	275.46	-1.37	-48.44
CCC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614710	0	31	-1.0	-43.16	272.22	2.11	-41.05
CC1=CC=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614711	0	34	-1.0	-54.14	299.56	1.64	-52.50
CC(Cl)=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614712	0	28	-1.0	-45.02	263.45	1.88	-43.14
CC1=C(C)NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614713	0	34	-1.0	-42.75	297.42	0.90	-41.85
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NC(=O)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614715	0	31	-1.0	-47.65	275.25	-2.42	-50.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=CN1	REAL250004614716	1	30	-1.0	-57.89	273.21	-0.71	-58.60
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CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1C	REAL250004614718	0	34	-1.0	-50.53	290.62	2.13	-48.40
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614719	0	32	-1.0	-58.17	281.93	-1.33	-59.50
CC[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004614720	1	38	-1.0	-45.43	303.23	0.31	-45.12
CC[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004614721	1	38	-1.0	-45.47	303.05	0.39	-45.08
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CCOC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614724	0	37	-1.0	-50.53	303.92	2.13	-48.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(C2CC2)C1	REAL250004614725	0	38	-1.0	-47.22	317.26	4.23	-42.99
O=C(CC1=CNC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614726	0	31	-1.0	-55.99	276.10	1.40	-54.59
O=C(CC1=CN=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614726	1	31	-1.0	-50.13	276.69	1.22	-48.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC(=O)N1	REAL250004614727	0	32	-1.0	-51.85	279.64	-1.35	-53.20
CC1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1C1CC1	REAL250004614728	0	38	-1.0	-45.76	314.69	4.37	-41.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC12CC2	REAL250004614729	0	38	-1.0	-43.09	311.32	3.82	-39.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=N1	REAL250004614730	0	29	-1.0	-43.88	264.95	0.21	-43.67
COCC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614731	0	32	-1.0	-45.26	284.48	0.39	-44.87
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NC1=CC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614733	0	32	-1.0	-42.88	280.48	-0.45	-43.33
CC1=CON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614734	0	30	-1.0	-45.54	270.51	0.98	-44.56
CC1CC1C1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614735	0	38	-1.0	-46.72	317.19	4.21	-42.51
CC1(C#CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614736	0	33	-1.0	-42.44	297.57	3.46	-38.98
C=CC=CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614737	0	32	-1.0	-48.07	285.73	2.71	-45.36
NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=N1	REAL250004614738	0	32	-1.0	-44.15	283.04	0.04	-44.11
CCCC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614739	0	39	-1.0	-46.34	312.96	3.80	-42.54
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CC1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614742	0	31	-1.0	-45.77	278.82	1.76	-44.01
NC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614743	0	32	-1.0	-46.66	285.02	-0.78	-47.44
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CC1=CN(C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614749	0	35	-1.0	-52.27	301.49	3.34	-48.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)O1	REAL250004614750	0	28	-1.0	-39.79	263.33	1.20	-38.59
CC1COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614751	0	35	-1.0	-50.99	294.53	1.87	-49.12
CCN1CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614752	0	36	-1.0	-49.94	300.74	-0.56	-50.50
O=C(CCCCCO)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614753	0	37	-1.0	-50.76	313.49	-0.27	-51.03
C=C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614754	0	38	-1.0	-46.58	310.90	3.73	-42.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NS1	REAL250004614755	0	27	-1.0	-41.73	260.18	0.69	-41.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CCC1	REAL250004614756	0	38	-1.0	-42.76	305.51	3.97	-38.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CC1	REAL250004614757	0	35	-1.0	-46.89	289.79	3.72	-43.17
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614758	0	38	-1.0	-46.59	308.61	3.83	-42.76
C#CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614759	0	30	-1.0	-51.93	287.88	2.60	-49.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC=N1	REAL250004614760	0	29	-1.0	-47.14	265.51	0.55	-46.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCC(=O)C21	REAL250004614761	0	34	-1.0	-45.45	287.23	2.21	-43.24
C=C(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614762	0	31	-1.0	-46.05	268.90	2.01	-44.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1CCC2	REAL250004614763	0	35	-1.0	-42.73	292.45	3.32	-39.41
O=C(CC1CC=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614764	0	38	-1.0	-47.89	309.67	3.90	-43.99
C=C(CC(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614766	0	37	-1.0	-45.83	307.78	3.31	-42.52
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CCC1	REAL250004614767	0	35	-1.0	-46.17	292.18	3.06	-43.11
CCC[C@H](O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614768	0	34	-1.0	-43.06	290.37	0.12	-42.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)CO	REAL250004614769	0	28	-1.0	-43.79	260.05	-2.33	-46.12
CCOC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614770	0	32	-1.0	-42.65	284.20	1.00	-41.65
CC1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614771	0	30	-1.0	-45.82	274.10	-1.70	-47.52
CCC(C)(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614772	0	34	-1.0	-44.35	284.59	-1.16	-45.51
C=CC(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614773	0	37	-1.0	-46.76	308.46	3.32	-43.44
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL250004614774	0	35	-1.0	-46.93	291.19	3.06	-43.87
O=C(CC1=CN=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614775	0	32	-1.0	-52.94	287.22	1.74	-51.20
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=N1	REAL250004614776	0	32	-1.0	-43.49	284.50	0.82	-42.67
CC[C@H](C)[C@H](O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614777	0	37	-1.0	-46.83	302.73	0.62	-46.21
O=C(C=CCO)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614780	0	29	-1.0	-46.54	262.23	-2.01	-48.55
CNC(=O)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614781	0	34	-1.0	-47.76	297.19	-0.94	-48.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCCC21	REAL250004614782	0	38	-1.0	-43.39	306.67	3.78	-39.61
CC1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614783	0	37	-1.0	-43.45	306.76	3.45	-40.00
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NC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614785	0	29	-1.0	-43.12	266.84	-4.14	-47.26
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CCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004614787	0	34	-1.0	-47.52	299.04	1.09	-46.43
COC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614788	0	35	-1.0	-51.13	297.98	2.29	-48.84
C#CC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614789	0	32	-1.0	-48.99	281.86	2.40	-46.59
C=C(CCC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614790	0	34	-1.0	-45.82	290.39	2.79	-43.03
C#CC1(O)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614791	0	34	-1.0	-49.24	302.01	-0.27	-49.51
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CC(C)(CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614793	0	33	-1.0	-44.57	281.04	2.06	-42.51
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O=C(CCC[N+](=O)[O-])NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614800	0	32	-1.0	-54.96	288.17	1.92	-53.04
CC1(C)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614801	0	35	-1.0	-42.66	300.37	3.24	-39.42
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CC(O)C(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614803	0	31	-1.0	-43.45	279.26	-1.12	-44.57
N#C[C@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614804	0	29	-1.0	-55.20	264.78	1.82	-53.38
C=C(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614805	0	34	-1.0	-46.52	293.53	2.74	-43.78
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL250004614806	0	39	-1.0	-46.82	307.28	3.09	-43.73
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C	REAL250004614807	0	34	-1.0	-48.78	297.65	1.33	-47.45
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CC1=C(C)NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614809	0	35	-1.0	-44.64	301.53	2.02	-42.62
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)=C1CC1	REAL250004614810	0	32	-1.0	-43.49	280.27	3.00	-40.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)COC1	REAL250004614811	0	30	-1.0	-44.76	263.13	-3.78	-48.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCS1	REAL250004614812	0	30	-1.0	-42.72	274.68	2.28	-40.44
CC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL250004614813	0	37	-1.0	-45.59	305.36	3.32	-42.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)C1	REAL250004614814	0	31	-1.0	-47.01	270.52	2.11	-44.90
CCC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614815	0	30	-1.0	-46.43	265.38	1.56	-44.87
N#CC1=CNN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614816	0	29	-1.0	-52.07	275.81	-0.01	-52.08
O=C(C=CC1=COC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614817	0	31	-1.0	-46.08	285.40	-0.94	-47.02
O=C(CCC1=NNC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614818	0	34	-1.0	-45.97	298.56	0.91	-45.06
CC1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614819	0	37	-1.0	-46.72	296.93	3.02	-43.70
CCC1=CNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614820	0	35	-1.0	-48.35	300.44	2.38	-45.97
C#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL250004614821	0	36	-1.0	-45.67	305.55	3.56	-42.11
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C#N)C1	REAL250004614822	0	35	-1.0	-58.98	298.12	2.70	-56.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CO)CC1	REAL250004614823	0	32	-1.0	-47.06	276.20	-0.83	-47.89
O=C(CC1=CNN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614824	0	31	-1.0	-48.43	277.16	0.22	-48.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CN1	REAL250004614825	0	28	-1.0	-43.13	255.77	-0.21	-43.34
C=C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL250004614826	0	34	-1.0	-45.96	279.36	3.11	-42.85
CN1N=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614827	0	34	-1.0	-49.86	297.58	1.24	-48.62
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCO1	REAL250004614828	0	33	-1.0	-42.65	280.89	1.42	-41.23
CCN1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614829	0	35	-1.0	-46.67	298.67	3.38	-43.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)=CC1CC1	REAL250004614830	0	32	-1.0	-39.65	287.66	2.97	-36.68
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)C=N1	REAL250004614831	0	34	-1.0	-46.31	289.62	3.00	-43.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1F	REAL250004614832	0	28	-1.0	-44.33	254.88	1.61	-42.72
O=C(CN1N=CN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614833	0	29	-1.0	-55.82	267.90	-0.09	-55.91
CC(C)=CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614834	0	37	-1.0	-46.73	311.35	3.52	-43.21
O=C(C=CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614835	0	32	-1.0	-43.04	283.10	2.93	-40.11
CN1C=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614836	0	31	-1.0	-45.44	274.05	1.52	-43.92
CC(C)NC(=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614837	0	34	-1.0	-39.86	296.93	-0.77	-40.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)CC1CC1	REAL250004614838	0	34	-1.0	-47.58	297.25	3.11	-44.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C=CCC1	REAL250004614839	0	32	-1.0	-46.12	273.23	2.55	-43.57
CC(=CC1CC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614840	0	35	-1.0	-46.63	296.90	3.57	-43.06
O=C(CCOC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614841	0	35	-1.0	-46.24	303.47	1.56	-44.68
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614842	0	35	-1.0	-47.18	303.41	3.31	-43.87
CCCC(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614843	0	34	-1.0	-47.01	290.08	0.13	-46.88
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(F)C1	REAL250004614844	0	34	-1.0	-49.45	288.04	2.65	-46.80
CCSC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614845	0	34	-1.0	-49.37	300.54	2.63	-46.74
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)F	REAL250004614846	0	33	-1.0	-48.25	286.75	2.33	-45.92
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614847	0	31	-1.0	-42.94	269.47	2.19	-40.75
CC(C)CC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614848	0	36	-1.0	-47.36	302.28	2.80	-44.56
C=C(Cl)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614849	0	31	-1.0	-46.08	288.90	2.60	-43.48
C=CN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614850	0	32	-1.0	-48.09	285.40	1.84	-46.25
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614851	0	35	-1.0	-47.72	303.50	2.15	-45.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CC1	REAL250004614852	0	29	-1.0	-45.20	256.16	-1.54	-46.74
CCC1(C)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614853	0	38	-1.0	-42.68	317.30	3.77	-38.91
CCC(F)(F)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614854	0	33	-1.0	-54.02	289.38	2.41	-51.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(C1)N=N2	REAL250004614855	0	34	-1.0	-43.92	293.28	-2.62	-46.54
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)OC	REAL250004614856	0	37	-1.0	-50.09	306.16	2.30	-47.79
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614857	0	37	-1.0	-46.71	309.93	3.50	-43.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)CO2	REAL250004614858	0	33	-1.0	-41.71	281.27	0.72	-40.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC=CCC1	REAL250004614859	0	35	-1.0	-42.44	291.09	3.19	-39.25
O=C(CC1CC(=O)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614860	0	33	-1.0	-53.19	288.23	1.89	-51.30
CN(C)C(=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614861	0	31	-1.0	-39.25	268.75	-0.72	-39.97
COC(=O)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614862	0	33	-1.0	-54.85	289.17	2.26	-52.59
CC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004614863	0	32	-1.0	-51.01	287.48	1.15	-49.86
CC(C)(CC#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614864	0	34	-1.0	-46.01	293.08	2.16	-43.85
CC1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL250004614865	0	33	-1.0	-44.25	291.24	-2.62	-46.87
CC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614866	0	33	-1.0	-43.26	291.38	2.00	-41.26
CC1(F)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004614867	0	34	-1.0	-45.74	290.57	2.67	-43.07
CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614868	0	31	-1.0	-49.60	282.10	2.08	-47.52
CC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004614869	0	35	-1.0	-46.82	294.92	2.02	-44.80
CC1(C)CC1(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614870	0	35	-1.0	-42.55	302.47	2.88	-39.67
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614871	0	38	-1.0	-47.88	309.55	3.90	-43.98
CCC1=CNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004614872	0	35	-1.0	-45.13	303.17	2.30	-42.83
CC1=CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614873	0	38	-1.0	-42.35	312.15	3.83	-38.52
O=C(CC12CC(C1)C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614874	0	35	-1.0	-44.46	291.54	3.45	-41.01
CCC=CC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614875	0	35	-1.0	-46.81	307.12	3.56	-43.25
O=C(CC1CC=CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614876	0	35	-1.0	-48.00	293.62	3.27	-44.73
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004614877	0	32	-1.0	-52.92	282.13	1.49	-51.43
O=C(CCCCCF)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614878	0	36	-1.0	-49.65	308.67	3.21	-46.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)CO1	REAL250004614879	0	31	-1.0	-51.37	276.39	0.28	-51.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004614880	0	32	-1.0	-45.83	283.13	2.80	-43.03
O=C(CC1CC2CC2C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614881	0	38	-1.0	-47.88	311.11	4.12	-43.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCOC1	REAL250004614882	0	33	-1.0	-46.66	280.23	0.89	-45.77
C=CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004614883	0	35	-1.0	-46.05	291.49	3.44	-42.61
C[C@@H]1C[C@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL250004614884	0	35	-1.0	-42.55	295.92	3.34	-39.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC(=O)O1	REAL250004614885	0	29	-1.0	-59.35	265.91	1.08	-58.27
CO[C@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614886	0	31	-1.0	-50.10	270.46	0.73	-49.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004614887	0	35	-1.0	-47.11	290.43	3.27	-43.84
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004614888	0	32	-1.0	-44.45	282.00	1.41	-43.04
O=C(CC1CC2(CC2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614889	0	38	-1.0	-48.13	317.85	4.19	-43.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CC1(F)F	REAL250004614890	0	28	-1.0	-47.73	260.84	1.69	-46.04
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL250004614891	0	35	-1.0	-46.81	297.52	3.35	-43.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC(=O)O1	REAL250004614892	0	31	-1.0	-55.34	275.91	1.91	-53.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CCC1	REAL250004614893	0	34	-1.0	-46.47	288.24	2.81	-43.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)OC2	REAL250004614894	0	33	-1.0	-42.75	281.53	0.54	-42.21
C[C@H]1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H]1C	REAL250004614895	0	34	-1.0	-42.28	277.92	2.69	-39.59
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614896	0	35	-1.0	-50.61	289.75	0.73	-49.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC1(F)F	REAL250004614897	0	28	-1.0	-50.49	259.58	1.71	-48.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004614898	0	31	-1.0	-49.06	275.11	2.50	-46.56
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(=O)C1	REAL250004614899	0	31	-1.0	-46.09	285.78	1.28	-44.81
[N-]=[N+]=NCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614901	0	29	-1.0	-45.94	267.71	-2.64	-48.58
[N-]=[N+]=NCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614902	0	32	-1.0	-50.47	289.21	-1.84	-52.31
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CCCC1	REAL250004614903	0	38	-1.0	-45.97	306.13	3.62	-42.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC2)CC1	REAL250004614904	0	38	-1.0	-43.66	307.83	3.99	-39.67
CC(C)(F)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614905	0	36	-1.0	-47.11	303.08	2.83	-44.28
O=C(CN1C=NC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614906	0	30	-1.0	-58.95	272.59	2.60	-56.35
C#CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614907	0	30	-1.0	-53.66	277.93	1.53	-52.13
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614908	0	30	-1.0	-46.36	270.96	2.69	-43.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CC(=O)N1	REAL250004614909	0	29	-1.0	-55.12	262.51	-2.56	-57.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2C3CC1CC32	REAL250004614910	0	36	-1.0	-47.97	295.14	3.68	-44.29
O=C(C=CC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614911	0	35	-1.0	-46.54	299.56	3.46	-43.08
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL250004614912	0	35	-1.0	-53.08	301.94	3.12	-49.96
COC(=O)C1C(O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614913	0	39	-1.0	-56.86	316.86	1.88	-54.98
COC(=O)C1C(O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614913	1	39	-1.0	-56.88	316.91	1.90	-54.98
O=C(NC1CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614914	0	33	-1.0	-52.92	278.35	2.95	-49.97
O=C(NC1CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614914	1	33	-1.0	-52.73	278.45	2.97	-49.76
O=C(NC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614915	0	30	-1.0	-35.61	264.56	-0.18	-35.79
O=C(NC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614915	1	30	-1.0	-35.63	264.63	-0.17	-35.80
CNC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004614916	0	38	-1.0	-46.25	307.94	0.37	-45.88
CNC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004614916	1	38	-1.0	-46.25	308.00	0.38	-45.87
CCC1(CC)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614917	0	47	-1.0	-46.41	327.82	6.23	-40.18
CCC1(CC)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614917	1	47	-1.0	-46.40	327.88	6.25	-40.15
CCC(O)(CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004614918	0	41	-1.0	-46.94	321.07	0.73	-46.21
CCC(O)(CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004614918	1	41	-1.0	-46.99	321.13	0.75	-46.24
CC(CCNC(=O)CCCC1=N[N-]N=N1)CC(C)(C)C	REAL250004614919	0	46	-1.0	-46.22	346.71	4.72	-41.50
CC(CCNC(=O)CCCC1=NN=N[N-]1)CC(C)(C)C	REAL250004614919	1	46	-1.0	-46.27	346.77	4.74	-41.53
CC1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004614920	0	35	-1.0	-52.05	290.10	0.36	-51.69
CC1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004614920	1	35	-1.0	-52.05	290.16	0.38	-51.67
O=C(CCCC1=N[N-]N=N1)NCC1=C2NC=CC2=CC=C1	REAL250004614921	0	36	-1.0	-47.23	310.44	3.48	-43.75
O=C(CCCC1=NN=N[N-]1)NCC1=C2NC=CC2=CC=C1	REAL250004614921	1	36	-1.0	-47.24	310.50	3.50	-43.74
COCCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004614922	0	39	-1.0	-47.48	325.35	4.09	-43.39
COCCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004614922	1	39	-1.0	-47.47	325.41	4.10	-43.37
N#CC1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614923	0	30	-1.0	-49.62	268.38	3.10	-46.52
N#CC1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614923	1	30	-1.0	-49.62	268.44	3.11	-46.51
N#CC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614924	0	30	-1.0	-37.24	276.65	3.35	-33.89
N#CC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614924	1	30	-1.0	-37.23	276.72	3.35	-33.88
O=C(CCCC1=N[N-]N=N1)NCCOC(F)(F)F	REAL250004614925	0	29	-1.0	-46.18	271.11	0.13	-46.05
O=C(CCCC1=NN=N[N-]1)NCCOC(F)(F)F	REAL250004614925	1	29	-1.0	-46.19	271.17	0.14	-46.05
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1CO	REAL250004614926	0	36	-1.0	-50.07	283.92	2.35	-47.72
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1CO	REAL250004614926	1	36	-1.0	-50.09	283.98	2.37	-47.72
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1CO	REAL250004614927	0	36	-1.0	-39.12	296.46	2.72	-36.40
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1CO	REAL250004614927	1	36	-1.0	-39.09	296.52	2.72	-36.37
O=C(CCCC1=N[N-]N=N1)NCC1CCC=CO1	REAL250004614928	0	34	-1.0	-46.55	285.98	1.87	-44.68
O=C(CCCC1=NN=N[N-]1)NCC1CCC=CO1	REAL250004614928	1	34	-1.0	-46.53	286.04	1.88	-44.65
O=C(NCC1CCC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614929	0	34	-1.0	-36.23	296.58	1.67	-34.56
O=C(NCC1CCC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614929	1	34	-1.0	-36.24	296.64	1.67	-34.57
COC(CCNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004614930	0	35	-1.0	-47.77	309.07	1.37	-46.40
COC(CCNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004614930	1	35	-1.0	-47.80	309.13	1.38	-46.42
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004614931	0	38	-1.0	-46.76	326.98	4.81	-41.95
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004614931	1	38	-1.0	-46.83	327.03	4.83	-42.00
COC(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614932	0	35	-1.0	-53.37	297.49	3.20	-50.17
COC(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614932	1	35	-1.0	-53.15	297.56	3.23	-49.92
COC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614933	0	32	-1.0	-36.12	283.34	0.12	-36.00
COC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614933	1	32	-1.0	-36.10	283.40	0.13	-35.97
CN(CCCCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614934	0	38	-1.0	-40.37	313.88	3.43	-36.94
CN(CCCCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614934	1	38	-1.0	-40.18	313.98	3.45	-36.73
CN(CCCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614935	0	35	-1.0	-37.46	299.37	1.19	-36.27
CN(CCCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614935	1	35	-1.0	-37.44	299.44	1.22	-36.22
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614936	0	44	-1.0	-46.50	325.69	5.60	-40.90
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614936	1	44	-1.0	-46.52	325.75	5.62	-40.90
CN1C=CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C21	REAL250004614937	0	36	-1.0	-50.92	301.53	5.42	-45.50
CN1C=CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C21	REAL250004614937	1	36	-1.0	-50.90	301.59	5.43	-45.47
CCCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004614938	0	42	-1.0	-52.64	333.69	4.34	-48.30
CCCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004614938	1	42	-1.0	-52.62	333.74	4.35	-48.27
O=C(CCCC1=N[N-]N=N1)NNC1=NC=NC=C1Cl	REAL250004614939	0	29	-1.0	-46.37	276.68	2.63	-43.74
O=C(CCCC1=NN=N[N-]1)NNC1=NC=NC=C1Cl	REAL250004614939	1	29	-1.0	-46.36	276.74	2.64	-43.72
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(CO)O1	REAL250004614940	0	37	-1.0	-49.03	297.07	-0.26	-49.29
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(CO)O1	REAL250004614940	1	37	-1.0	-49.06	297.13	-0.25	-49.31
CCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004614941	0	39	-1.0	-52.59	312.19	3.59	-49.00
CCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004614941	1	39	-1.0	-52.59	312.24	3.61	-48.98
O=C(CCCC1=N[N-]N=N1)NCCOCC(F)F	REAL250004614942	0	32	-1.0	-51.68	287.64	0.83	-50.85
O=C(CCCC1=NN=N[N-]1)NCCOCC(F)F	REAL250004614942	1	32	-1.0	-51.71	287.69	0.84	-50.87
O=C(NCCOCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614943	0	32	-1.0	-41.66	298.23	0.62	-41.04
O=C(NCCOCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614943	1	32	-1.0	-41.63	298.30	0.63	-41.00
CCOC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004614944	0	38	-1.0	-46.59	305.82	1.76	-44.83
CCOC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004614944	1	38	-1.0	-46.61	305.87	1.78	-44.83
CCOC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614945	0	38	-1.0	-36.25	316.40	1.55	-34.70
CCOC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614945	1	38	-1.0	-36.29	316.47	1.56	-34.73
CC1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004614946	0	28	-1.0	-46.92	257.41	1.25	-45.67
CC1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004614946	1	28	-1.0	-46.91	257.47	1.26	-45.65
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)SC=N1	REAL250004614947	0	28	-1.0	-35.33	267.97	1.04	-34.29
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)SC=N1	REAL250004614947	1	28	-1.0	-35.30	268.04	1.05	-34.25
CC1CC(O)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614948	0	36	-1.0	-59.48	292.50	2.65	-56.83
CC1CC(O)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614948	1	36	-1.0	-58.68	292.86	2.63	-56.05
CC1CC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614949	0	33	-1.0	-37.25	277.50	0.30	-36.95
CC1CC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614949	1	33	-1.0	-37.26	277.57	0.31	-36.95
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C2NC=CC2=C1	REAL250004614950	0	36	-1.0	-50.76	303.04	4.30	-46.46
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C2NC=CC2=C1	REAL250004614950	1	36	-1.0	-50.73	303.10	4.32	-46.41
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004614951	0	33	-1.0	-48.83	289.00	2.72	-46.11
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004614951	1	33	-1.0	-48.81	289.06	2.74	-46.07
CN1N=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL250004614952	0	35	-1.0	-49.77	301.52	3.30	-46.47
CN1N=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL250004614952	1	35	-1.0	-49.80	301.47	3.28	-46.52
C[C@@H](O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614953	0	41	-1.0	-47.22	322.06	-0.68	-47.90
C[C@@H](O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614953	1	41	-1.0	-47.21	322.12	-0.66	-47.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2CCC1CC2	REAL250004614955	1	38	-1.0	-36.09	291.93	3.12	-32.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2CCC1CC2	REAL250004614955	1	38	-1.0	-36.11	292.00	3.12	-32.99
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004614957	0	38	-1.0	-50.39	310.42	4.09	-46.30
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004614957	1	38	-1.0	-50.40	310.48	4.10	-46.30
O=C(NC1=CN=NS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614958	0	27	-1.0	-51.90	257.44	2.86	-49.04
O=C(NC1=CN=NS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614958	1	27	-1.0	-51.69	257.54	2.88	-48.81
O=C(NC1=CN=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614959	0	24	-1.0	-34.60	243.71	-0.23	-34.83
O=C(NC1=CN=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614959	1	24	-1.0	-34.62	243.65	-0.25	-34.87
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C2CC2)C1	REAL250004614960	0	34	-1.0	-47.61	289.15	1.14	-46.47
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C2CC2)C1	REAL250004614960	1	34	-1.0	-47.60	289.21	1.15	-46.45
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)(C2CC2)C1	REAL250004614961	0	34	-1.0	-36.61	294.50	0.73	-35.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)(C2CC2)C1	REAL250004614961	1	34	-1.0	-36.62	294.57	0.74	-35.88
CC(C)(O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614962	0	36	-1.0	-47.64	294.63	1.06	-46.58
CC(C)(O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614962	1	36	-1.0	-47.64	294.69	1.07	-46.57
CC(C)(O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614963	0	36	-1.0	-38.03	302.87	0.92	-37.11
CC(C)(O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614963	1	36	-1.0	-37.97	302.94	0.94	-37.03
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCN1CCO	REAL250004614964	1	44	-1.0	-47.60	330.32	0.17	-47.43
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCN1CCO	REAL250004614964	1	44	-1.0	-47.63	330.38	0.18	-47.45
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004614965	0	42	-1.0	-46.23	325.14	3.87	-42.36
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004614965	1	42	-1.0	-46.23	325.20	3.89	-42.34
NC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004614966	0	32	-1.0	-54.85	286.00	-5.44	-60.29
NC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004614966	1	32	-1.0	-54.86	286.06	-5.43	-60.29
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=N1	REAL250004614967	0	34	-1.0	-45.35	309.74	3.21	-42.14
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=N1	REAL250004614967	1	34	-1.0	-45.39	309.80	3.23	-42.16
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=N1	REAL250004614968	0	34	-1.0	-45.36	309.75	3.21	-42.15
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=N1	REAL250004614968	1	34	-1.0	-45.41	309.80	3.23	-42.18
CN(C)C(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614969	0	35	-1.0	-51.07	298.77	2.92	-48.15
CN(C)C(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614969	1	35	-1.0	-50.89	298.83	2.94	-47.95
CN(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614970	0	32	-1.0	-40.40	284.64	-0.20	-40.60
CN(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614970	1	32	-1.0	-40.35	284.71	-0.19	-40.54
COCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614971	0	40	-1.0	-49.61	331.99	2.10	-47.51
COCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614971	1	40	-1.0	-49.62	332.04	2.11	-47.51
CCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004614972	0	39	-1.0	-46.38	301.86	3.46	-42.92
CCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004614972	1	39	-1.0	-46.39	301.92	3.48	-42.91
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004614973	0	34	-1.0	-47.42	292.02	-0.08	-47.50
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004614973	1	34	-1.0	-47.43	292.08	-0.06	-47.49
CC(C)(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004614974	0	34	-1.0	-46.54	283.39	3.13	-43.41
CC(C)(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004614974	1	34	-1.0	-46.58	283.45	3.14	-43.44
C=CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614975	0	35	-1.0	-38.86	293.77	6.54	-32.32
C=CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614975	1	35	-1.0	-38.77	293.87	6.56	-32.21
C=CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614976	0	32	-1.0	-36.04	279.26	4.30	-31.74
C=CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614976	1	32	-1.0	-36.00	279.34	4.33	-31.67
NC(=O)C1C2CCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004614977	0	40	-1.0	-54.66	312.66	1.29	-53.37
NC(=O)C1C2CCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004614977	1	40	-1.0	-54.64	312.71	1.31	-53.33
CC(C)(O)C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004614978	0	33	-1.0	-46.37	286.98	-2.67	-49.04
CC(C)(O)C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004614978	1	33	-1.0	-46.40	287.04	-2.65	-49.05
CN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004614980	0	36	-1.0	-55.10	298.09	1.19	-53.91
CN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004614980	1	36	-1.0	-55.10	298.15	1.20	-53.90
CCOCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004614981	0	42	-1.0	-46.89	345.98	2.95	-43.94
CCOCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004614981	1	42	-1.0	-46.91	346.04	2.97	-43.94
CCOC(CCNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004614982	0	42	-1.0	-48.58	344.12	2.10	-46.48
CCOC(CCNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004614982	1	42	-1.0	-48.59	344.18	2.11	-46.48
CCCN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004614983	0	37	-1.0	-49.90	313.16	4.64	-45.26
CCCN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004614983	1	37	-1.0	-49.88	313.22	4.66	-45.22
CC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1CO	REAL250004614984	0	39	-1.0	-53.33	320.74	2.34	-50.99
CC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1CO	REAL250004614984	1	39	-1.0	-53.32	320.80	2.35	-50.97
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004614985	0	41	-1.0	-46.90	315.40	4.05	-42.85
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004614985	1	41	-1.0	-46.93	315.46	4.06	-42.87
COC(COCCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004614986	0	40	-1.0	-51.35	334.49	0.12	-51.23
COC(COCCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004614986	1	40	-1.0	-51.41	334.55	0.14	-51.27
NC(=O)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004614987	0	34	-1.0	-50.38	302.05	-3.11	-53.49
NC(=O)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004614987	1	34	-1.0	-50.41	302.10	-3.09	-53.50
CC[C@@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004614988	0	35	-1.0	-52.00	294.96	1.93	-50.07
CC[C@@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004614988	1	35	-1.0	-51.81	295.45	1.91	-49.90
CC[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614989	0	32	-1.0	-36.45	281.23	-1.20	-37.65
CC[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614989	1	32	-1.0	-36.45	281.30	-1.20	-37.65
CN1C=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004614990	0	36	-1.0	-51.71	307.10	5.11	-46.60
CN1C=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004614990	1	36	-1.0	-51.74	307.15	5.12	-46.62
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=N1	REAL250004614991	0	34	-1.0	-51.84	296.84	2.51	-49.33
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=N1	REAL250004614991	1	34	-1.0	-51.82	296.90	2.53	-49.29
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=N1	REAL250004614992	0	34	-1.0	-41.44	307.43	2.30	-39.14
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=N1	REAL250004614992	1	34	-1.0	-41.42	307.50	2.32	-39.10
CC(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614993	0	41	-1.0	-47.01	312.97	5.32	-41.69
CC(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614993	1	41	-1.0	-47.05	313.03	5.33	-41.72
COC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004614994	0	34	-1.0	-47.26	296.81	1.52	-45.74
COC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004614994	1	34	-1.0	-47.33	296.86	1.53	-45.80
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004614995	0	38	-1.0	-46.26	307.70	3.63	-42.63
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004614995	1	38	-1.0	-46.25	307.76	3.64	-42.61
CC1(C)CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004614996	0	38	-1.0	-34.77	318.29	3.42	-31.35
CC1(C)CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004614996	1	38	-1.0	-34.73	318.36	3.43	-31.30
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(F)C(F)=C1	REAL250004614997	0	35	-1.0	-50.89	313.29	4.37	-46.52
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(F)C(F)=C1	REAL250004614997	1	35	-1.0	-50.90	313.35	4.38	-46.52
CC1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614998	0	41	-1.0	-47.48	313.31	4.18	-43.30
CC1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614998	1	41	-1.0	-47.44	313.36	4.21	-43.23
O=C(CCCC1=N[N-]N=N1)NC1=CSC(Cl)=C1	REAL250004614999	0	26	-1.0	-47.75	260.03	2.89	-44.86
O=C(CCCC1=NN=N[N-]1)NC1=CSC(Cl)=C1	REAL250004614999	1	26	-1.0	-47.77	260.08	2.90	-44.87
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C2NC=CC2=C1	REAL250004615002	0	39	-1.0	-51.22	326.15	5.96	-45.26
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C2NC=CC2=C1	REAL250004615002	1	39	-1.0	-51.23	326.21	5.98	-45.25
CC1(C)CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004615003	0	41	-1.0	-47.25	300.43	5.39	-41.86
CC1(C)CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004615003	1	41	-1.0	-47.26	300.49	5.40	-41.86
CC(C)C(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004615004	0	37	-1.0	-48.77	310.26	4.34	-44.43
CC(C)C(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004615004	1	37	-1.0	-48.82	310.32	4.35	-44.47
COCCCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004615005	0	39	-1.0	-50.28	321.68	0.11	-50.17
COCCCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004615005	1	39	-1.0	-50.28	321.73	0.12	-50.16
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](O)C[C@H]1CO	REAL250004615007	0	34	-1.0	-48.41	281.39	-3.02	-51.43
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)C[C@H]1CO	REAL250004615007	1	34	-1.0	-48.41	281.45	-3.01	-51.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)C[C@H]1CO	REAL250004615008	0	34	-1.0	-39.15	287.11	-1.26	-40.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)C[C@H]1CO	REAL250004615008	1	34	-1.0	-39.11	287.18	-1.25	-40.36
CC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004615009	0	38	-1.0	-47.33	293.30	5.23	-42.10
CC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004615009	1	38	-1.0	-47.33	293.36	5.24	-42.09
CC1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004615010	0	38	-1.0	-35.75	295.05	5.91	-29.84
CC1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004615010	1	38	-1.0	-35.72	295.11	5.91	-29.81
CC(C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004615011	0	40	-1.0	-46.17	304.34	3.53	-42.64
CC(C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004615011	1	40	-1.0	-46.16	304.40	3.55	-42.61
CC(C)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615012	0	40	-1.0	-34.68	314.93	3.32	-31.36
CC(C)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615012	1	40	-1.0	-34.67	315.00	3.34	-31.33
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)SC=N2	REAL250004615013	0	32	-1.0	-48.48	280.74	2.99	-45.49
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)SC=N2	REAL250004615013	1	32	-1.0	-48.45	280.80	3.00	-45.45
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCC2)C1	REAL250004615014	0	42	-1.0	-47.62	317.10	5.98	-41.64
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCC2)C1	REAL250004615014	1	42	-1.0	-47.65	317.16	6.00	-41.65
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCO2)CC1	REAL250004615015	0	43	-1.0	-48.98	331.58	4.49	-44.49
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCO2)CC1	REAL250004615015	1	43	-1.0	-49.04	331.64	4.50	-44.54
COCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004615016	0	40	-1.0	-47.89	324.01	1.93	-45.96
COCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004615016	1	40	-1.0	-47.85	324.07	1.94	-45.91
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCC1O	REAL250004615017	0	39	-1.0	-48.72	302.20	1.73	-46.99
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCC1O	REAL250004615017	1	39	-1.0	-48.78	302.26	1.75	-47.03
CC1CN(C)C(=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004615018	0	36	-1.0	-47.96	291.71	2.29	-45.67
CC1CN(C)C(=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004615018	1	36	-1.0	-47.98	291.77	2.31	-45.67
CCCC1(C)C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004615019	0	42	-1.0	-50.94	321.01	2.27	-48.67
CCCC1(C)C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004615019	1	42	-1.0	-50.92	321.07	2.29	-48.63
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)CC1=CC=CC=C1	REAL250004615020	0	39	-1.0	-47.58	329.01	2.00	-45.58
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)CC1=CC=CC=C1	REAL250004615020	1	39	-1.0	-47.59	329.07	2.01	-45.58
O=C(CCCC1=N[N-]N=N1)NC1=C(Cl)SC=C1	REAL250004615021	0	26	-1.0	-43.76	257.25	2.91	-40.85
O=C(CCCC1=NN=N[N-]1)NC1=C(Cl)SC=C1	REAL250004615021	1	26	-1.0	-43.78	257.30	2.93	-40.85
O=C(CCCC1=N[N-]N=N1)N(CCO)C1CCC1	REAL250004615022	0	36	-1.0	-49.67	283.57	2.29	-47.38
O=C(CCCC1=NN=N[N-]1)N(CCO)C1CCC1	REAL250004615022	1	36	-1.0	-49.69	283.62	2.30	-47.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)C1CCC1	REAL250004615023	0	36	-1.0	-35.71	294.00	1.99	-33.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)C1CCC1	REAL250004615023	1	36	-1.0	-35.71	294.06	1.99	-33.72
CNS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004615024	0	33	-1.0	-57.68	297.27	-3.33	-61.01
CNS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004615024	1	33	-1.0	-57.69	297.33	-3.32	-61.01
CCOC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004615026	0	38	-1.0	-54.85	316.55	5.22	-49.63
CCOC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004615026	1	38	-1.0	-54.83	316.60	5.23	-49.60
C#CCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004615027	0	35	-1.0	-49.03	309.46	4.25	-44.78
C#CCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004615027	1	35	-1.0	-49.02	309.52	4.26	-44.76
CC1=CC=CC(F)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004615028	0	34	-1.0	-47.01	295.10	3.93	-43.08
CC1=CC=CC(F)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004615028	1	34	-1.0	-47.05	295.16	3.94	-43.11
COC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004615029	0	36	-1.0	-53.57	306.50	3.56	-50.01
COC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004615029	1	36	-1.0	-53.58	306.56	3.57	-50.01
CC(C(=O)NC(C)(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004615030	0	44	-1.0	-49.74	344.10	2.97	-46.77
CC(C(=O)NC(C)(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004615030	1	44	-1.0	-49.73	344.15	2.98	-46.75
CC1=CC(C)=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004615031	0	42	-1.0	-47.14	333.80	6.99	-40.15
CC1=CC(C)=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004615031	1	42	-1.0	-47.19	333.86	7.00	-40.19
O=C(CCCC1=N[N-]N=N1)NOCC1CCOC1	REAL250004615032	0	34	-1.0	-51.61	288.65	1.71	-49.90
O=C(CCCC1=NN=N[N-]1)NOCC1CCOC1	REAL250004615032	1	34	-1.0	-51.58	288.71	1.72	-49.86
O=C(NOCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615033	0	34	-1.0	-37.63	299.24	1.50	-36.13
O=C(NOCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615033	1	34	-1.0	-37.60	299.31	1.51	-36.09
O=C(CCCC1=N[N-]N=N1)NCC1OCCCO1	REAL250004615034	0	34	-1.0	-46.89	284.88	0.38	-46.51
O=C(CCCC1=NN=N[N-]1)NCC1OCCCO1	REAL250004615034	1	34	-1.0	-46.88	284.94	0.40	-46.48
O=C(NCC1OCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615035	0	34	-1.0	-37.71	295.48	0.18	-37.53
O=C(NCC1OCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615035	1	34	-1.0	-37.71	295.54	0.18	-37.53
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004615036	0	37	-1.0	-58.86	313.75	3.79	-55.07
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004615036	1	37	-1.0	-58.88	313.81	3.80	-55.08
COC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004615037	0	34	-1.0	-48.39	281.00	1.31	-47.08
COC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004615037	1	34	-1.0	-48.38	281.06	1.32	-47.06
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004615038	0	34	-1.0	-35.96	288.43	1.53	-34.43
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004615038	1	34	-1.0	-35.88	288.49	1.54	-34.34
CC[C@@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004615039	0	32	-1.0	-54.89	284.10	4.83	-50.06
CC[C@@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004615039	1	32	-1.0	-54.69	284.20	4.85	-49.84
CC[C@@H](C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615040	0	29	-1.0	-37.99	270.32	1.70	-36.29
CC[C@@H](C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615040	1	29	-1.0	-37.98	270.38	1.71	-36.27
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCOCC1	REAL250004615041	0	37	-1.0	-48.62	298.69	-1.46	-50.08
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCOCC1	REAL250004615041	1	37	-1.0	-48.59	298.75	-1.45	-50.04
CC(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004615043	0	41	-1.0	-45.92	339.31	5.40	-40.52
CC(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004615043	1	41	-1.0	-45.93	339.36	5.41	-40.52
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1CO	REAL250004615044	0	36	-1.0	-54.68	290.97	2.81	-51.87
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1CO	REAL250004615044	1	36	-1.0	-43.41	290.74	2.86	-40.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1CO	REAL250004615045	0	33	-1.0	-39.47	275.84	2.14	-37.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1CO	REAL250004615045	1	33	-1.0	-39.51	275.91	2.14	-37.37
CC1=CC=C2NC(CNC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004615046	0	38	-1.0	-49.34	326.76	2.87	-46.47
CC1=CC=C2NC(CNC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004615046	1	38	-1.0	-49.33	326.82	2.88	-46.45
CC1=CC=C2N=C(CNC(=O)CCCC3=N[N-]N=N3)NC2=C1	REAL250004615046	1	38	-1.0	-49.01	326.78	2.86	-46.15
CC1=CC=C2N=C(CNC(=O)CCCC3=NN=N[N-]3)NC2=C1	REAL250004615046	1	38	-1.0	-49.03	326.84	2.88	-46.15
COC(=O)C1=NNC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004615047	0	32	-1.0	-45.63	285.67	0.58	-45.05
COC(=O)C1=NNC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004615047	1	32	-1.0	-45.62	285.73	0.59	-45.03
CC(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004615048	0	37	-1.0	-46.96	301.26	-0.17	-47.13
CC(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004615048	1	37	-1.0	-46.96	301.32	-0.16	-47.12
CC(C)N1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004615049	0	37	-1.0	-34.75	311.80	-0.38	-35.13
CC(C)N1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004615049	1	37	-1.0	-34.67	311.86	-0.37	-35.04
N#CCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004615050	0	31	-1.0	-55.84	278.09	-0.19	-56.03
N#CCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004615050	1	31	-1.0	-55.87	278.15	-0.17	-56.04
N#CCC1(O)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004615051	0	34	-1.0	-63.92	298.05	2.31	-61.61
N#CCC1(O)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004615051	1	34	-1.0	-63.32	297.58	2.30	-61.02
N#CCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004615052	0	31	-1.0	-46.33	285.73	-0.24	-46.57
N#CCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004615052	1	31	-1.0	-46.29	285.80	-0.23	-46.52
O=C(NC1=NNN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004615053	0	28	-1.0	-49.11	251.57	2.23	-46.88
O=C(NC1=NNN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004615053	1	28	-1.0	-48.92	251.63	2.25	-46.67
O=C(NC1=NNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615054	0	25	-1.0	-34.70	237.41	-0.87	-35.57
O=C(NC1=NNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615054	1	25	-1.0	-34.68	237.47	-0.84	-35.52
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004615055	0	35	-1.0	-47.46	306.88	2.63	-44.83
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004615055	1	35	-1.0	-47.46	306.94	2.65	-44.81
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1O	REAL250004615056	0	36	-1.0	-48.88	304.43	2.00	-46.88
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1O	REAL250004615056	1	36	-1.0	-48.89	304.49	2.01	-46.88
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1	REAL250004615057	0	35	-1.0	-53.16	279.92	6.15	-47.01
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1	REAL250004615057	1	35	-1.0	-53.59	280.05	6.22	-47.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1	REAL250004615058	0	32	-1.0	-35.10	264.57	3.89	-31.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1	REAL250004615058	1	32	-1.0	-35.07	264.64	3.89	-31.18
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCNC1=O	REAL250004615059	0	36	-1.0	-54.22	292.86	1.15	-53.07
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCNC1=O	REAL250004615059	1	36	-1.0	-54.21	292.92	1.17	-53.04
CC(C)(O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004615060	0	39	-1.0	-48.61	320.09	2.17	-46.44
CC(C)(O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004615060	1	39	-1.0	-48.65	320.15	2.18	-46.47
NC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004615061	0	36	-1.0	-50.33	300.59	3.13	-47.20
NC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004615061	1	36	-1.0	-50.37	300.65	3.14	-47.23
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)C(=O)NC=N2	REAL250004615062	0	35	-1.0	-52.80	294.47	2.50	-50.30
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)C(=O)NC=N2	REAL250004615062	1	35	-1.0	-52.77	294.53	2.51	-50.26
CC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004615063	0	37	-1.0	-57.97	315.98	3.08	-54.89
CC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004615063	1	37	-1.0	-58.02	316.04	3.10	-54.92
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=NC=C1	REAL250004615064	0	38	-1.0	-49.86	324.19	0.23	-49.63
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=NC=C1	REAL250004615064	1	38	-1.0	-49.90	324.25	0.24	-49.66
O=C(CCCC1=N[N-]N=N1)N1CC2(CC2)C2=CC=CC=C21	REAL250004615065	0	37	-1.0	-46.49	305.50	6.63	-39.86
O=C(CCCC1=NN=N[N-]1)N1CC2(CC2)C2=CC=CC=C21	REAL250004615065	1	37	-1.0	-46.48	305.56	6.64	-39.84
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CCCC2)C1	REAL250004615066	0	43	-1.0	-49.41	321.04	4.79	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CCCC2)C1	REAL250004615066	1	43	-1.0	-49.44	321.10	4.81	-44.63
CCC1(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004615067	0	39	-1.0	-48.24	301.76	2.06	-46.18
CCC1(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004615067	1	39	-1.0	-48.24	301.82	2.07	-46.17
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CNC2=N1	REAL250004615068	0	34	-1.0	-64.41	298.48	1.85	-62.56
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CNC2=N1	REAL250004615068	1	34	-1.0	-64.41	298.54	1.87	-62.54
O=C(CCCC1=N[N-]N=N1)NC1(C2=NNC=N2)CCC1	REAL250004615069	0	35	-1.0	-53.10	293.84	2.93	-50.17
O=C(CCCC1=NN=N[N-]1)NC1(C2=NNC=N2)CCC1	REAL250004615069	1	35	-1.0	-53.10	293.89	2.94	-50.16
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004615070	0	43	-1.0	-46.04	322.05	4.85	-41.19
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004615070	1	43	-1.0	-46.05	322.10	4.86	-41.19
CCCC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004615071	0	37	-1.0	-47.17	322.35	3.50	-43.67
CCCC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004615071	1	37	-1.0	-47.17	322.40	3.52	-43.65
CCOCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004615072	0	36	-1.0	-59.52	312.77	4.70	-54.82
CCOCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004615072	1	36	-1.0	-59.34	312.84	4.73	-54.61
CCOCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615073	0	33	-1.0	-38.85	298.62	1.60	-37.25
CCOCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615073	1	33	-1.0	-38.82	298.69	1.61	-37.21
CC(C)CC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004615074	0	42	-1.0	-50.46	322.96	2.20	-48.26
CC(C)CC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004615074	1	42	-1.0	-50.51	323.01	2.21	-48.30
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004615075	0	31	-1.0	-47.13	275.50	2.56	-44.57
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004615075	1	31	-1.0	-47.16	275.56	2.58	-44.58
CSC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004615077	0	31	-1.0	-47.05	303.06	0.80	-46.25
CSC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004615077	1	31	-1.0	-47.08	303.12	0.81	-46.27
CC(C)OCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004615078	0	43	-1.0	-48.09	344.99	2.91	-45.18
CC(C)OCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004615078	1	43	-1.0	-48.08	345.04	2.92	-45.16
O=C(CCCC1=N[N-]N=N1)NNC1=C(F)C=CC=C1Cl	REAL250004615079	0	31	-1.0	-48.13	291.31	3.72	-44.41
O=C(CCCC1=NN=N[N-]1)NNC1=C(F)C=CC=C1Cl	REAL250004615079	1	31	-1.0	-48.07	291.37	3.74	-44.33
O=C(CCCC1=N[N-]N=N1)NC1(CC2=CC=CC=C2)CC1	REAL250004615080	0	39	-1.0	-47.69	326.33	5.62	-42.07
O=C(CCCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2)CC1	REAL250004615080	1	39	-1.0	-47.70	326.38	5.63	-42.07
CC1(C)CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004615081	0	36	-1.0	-45.29	286.54	4.52	-40.77
CC1(C)CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004615081	1	36	-1.0	-45.31	286.60	4.54	-40.77
CCOC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004615082	0	40	-1.0	-55.19	336.55	1.92	-53.27
CCOC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004615082	1	40	-1.0	-55.20	336.61	1.93	-53.27
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)C(C)=C1O	REAL250004615083	0	39	-1.0	-49.27	318.52	2.77	-46.50
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)C(C)=C1O	REAL250004615083	1	39	-1.0	-49.29	318.58	2.78	-46.51
CC(C)C1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004615084	0	41	-1.0	-45.89	335.07	5.30	-40.59
CC(C)C1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004615084	1	41	-1.0	-45.90	335.13	5.31	-40.59
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCO1	REAL250004615085	0	33	-1.0	-39.35	272.33	5.30	-34.05
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCO1	REAL250004615085	1	33	-1.0	-39.60	272.85	5.34	-34.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCO1	REAL250004615086	0	30	-1.0	-37.32	259.96	2.80	-34.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCO1	REAL250004615086	1	30	-1.0	-37.29	260.03	2.80	-34.49
CCOC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004615087	0	42	-1.0	-49.13	344.08	3.26	-45.87
CCOC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004615087	1	42	-1.0	-49.11	344.14	3.27	-45.84
CC1=C(C)C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL250004615088	0	38	-1.0	-52.53	323.40	5.19	-47.34
CC1=C(C)C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL250004615088	1	38	-1.0	-52.55	323.46	5.21	-47.34
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004615089	0	42	-1.0	-45.30	323.80	2.84	-42.46
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004615089	1	42	-1.0	-45.28	323.86	2.86	-42.42
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004615090	0	44	-1.0	-46.32	320.15	5.46	-40.86
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004615090	1	44	-1.0	-46.29	320.20	5.48	-40.81
O=C(CCCC1=N[N-]N=N1)NCCN1CCCOCC1	REAL250004615091	1	41	-1.0	-48.08	322.40	0.05	-48.03
O=C(CCCC1=NN=N[N-]1)NCCN1CCCOCC1	REAL250004615091	1	41	-1.0	-48.12	322.46	0.06	-48.06
COC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004615092	0	34	-1.0	-51.67	298.36	0.19	-51.48
COC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004615092	1	34	-1.0	-51.70	298.42	0.21	-51.49
COC1=CC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004615093	0	35	-1.0	-49.64	298.29	2.38	-47.26
COC1=CC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004615093	1	35	-1.0	-49.68	298.35	2.39	-47.29
O=C(NNC1=CN=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004615094	0	32	-1.0	-51.93	286.36	3.28	-48.65
O=C(NNC1=CN=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004615094	1	32	-1.0	-51.74	286.45	3.30	-48.44
O=C(NNC1=CN=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004615095	0	29	-1.0	-37.33	272.57	0.21	-37.12
O=C(NNC1=CN=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004615095	1	29	-1.0	-37.32	272.64	0.21	-37.11
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=NC=N2)C1	REAL250004615096	0	35	-1.0	-54.36	296.83	4.83	-49.53
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=NC=N2)C1	REAL250004615096	1	35	-1.0	-54.28	296.77	4.81	-49.47
O=C(CCCC1=N[N-]N=N1)NOCCC(F)(F)F	REAL250004615097	0	29	-1.0	-49.26	272.17	2.75	-46.51
O=C(CCCC1=NN=N[N-]1)NOCCC(F)(F)F	REAL250004615097	1	29	-1.0	-49.32	272.23	2.76	-46.56
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NO1	REAL250004615098	0	30	-1.0	-49.29	261.37	2.58	-46.71
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NO1	REAL250004615098	1	30	-1.0	-49.30	261.44	2.58	-46.72
O=C(C1=CC=CC(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615099	0	31	-1.0	-49.88	266.33	3.90	-45.98
O=C(C1=CC=CC(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615099	1	31	-1.0	-49.85	266.39	3.91	-45.94
CC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615100	0	34	-1.0	-54.76	281.43	4.50	-50.26
CC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615100	1	34	-1.0	-54.72	281.37	4.50	-50.22
CCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615101	0	31	-1.0	-56.31	262.72	2.15	-54.16
CCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615101	1	31	-1.0	-56.31	262.79	2.14	-54.17
O=C(C1=CC=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615102	0	30	-1.0	-53.60	258.52	3.02	-50.58
O=C(C1=CC=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615102	1	30	-1.0	-53.60	258.44	3.02	-50.58
O=C(C1CC2C=CC1C2)N1CCSCC1C1=N[N-]N=N1	REAL250004615103	0	36	-1.0	-53.29	282.67	4.49	-48.80
O=C(C1CC2C=CC1C2)N1CCSCC1C1=NN=N[N-]1	REAL250004615103	1	36	-1.0	-53.27	282.74	4.50	-48.77
CC(C)=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615104	0	31	-1.0	-51.29	255.96	3.40	-47.89
CC(C)=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615104	1	31	-1.0	-51.30	256.03	3.40	-47.90
O=C(C1=COCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615105	0	31	-1.0	-56.28	258.30	1.11	-55.17
O=C(C1=COCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615105	1	31	-1.0	-56.30	258.37	1.11	-55.19
O=C(C1=CNC(=O)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615106	0	31	-1.0	-49.88	264.46	0.76	-49.12
O=C(C1=CNC(=O)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615106	1	31	-1.0	-49.87	264.54	0.76	-49.11
O=C(C1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615107	0	31	-1.0	-54.32	260.09	3.82	-50.50
O=C(C1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615107	1	31	-1.0	-54.28	260.02	3.81	-50.47
CC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615108	0	33	-1.0	-51.72	266.37	3.31	-48.41
CC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615108	1	33	-1.0	-51.73	266.43	3.30	-48.43
O=C(C1CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615109	0	37	-1.0	-52.93	288.35	4.43	-48.50
O=C(C1CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615109	1	37	-1.0	-52.92	288.39	4.45	-48.47
CC(=O)NCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615110	0	34	-1.0	-64.64	288.96	0.26	-64.38
CC(=O)NCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615110	1	34	-1.0	-64.64	289.03	0.26	-64.38
CC(C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615111	0	36	-1.0	-52.34	288.71	4.02	-48.32
CC(C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615111	1	36	-1.0	-52.39	288.78	4.01	-48.38
O=C(C1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615112	0	32	-1.0	-57.88	261.03	2.22	-55.66
O=C(C1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615112	1	32	-1.0	-57.84	261.09	2.22	-55.62
CSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615113	0	28	-1.0	-54.52	251.21	2.42	-52.10
CSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615113	1	28	-1.0	-54.47	251.27	2.41	-52.06
CSCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615114	0	31	-1.0	-49.17	272.88	3.19	-45.98
CSCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615114	1	31	-1.0	-49.16	272.95	3.19	-45.97
O=C(C1=CC=[N+]([O-])C=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615115	0	31	-1.0	-55.72	266.85	2.46	-53.26
O=C(C1=CC=[N+]([O-])C=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615115	1	31	-1.0	-55.70	266.91	2.46	-53.24
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615116	0	31	-1.0	-51.58	266.66	3.01	-48.57
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615116	1	31	-1.0	-51.55	266.74	3.02	-48.53
O=C(CC1CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615117	0	40	-1.0	-53.06	308.05	5.19	-47.87
O=C(CC1CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615117	1	40	-1.0	-53.04	308.12	5.20	-47.84
CC(=O)NC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615118	0	34	-1.0	-46.28	285.76	0.48	-45.80
CC(=O)NC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615118	1	34	-1.0	-46.28	285.82	0.48	-45.80
CC(NC(N)=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615119	0	33	-1.0	-46.73	278.98	-2.31	-49.04
CC(NC(N)=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615119	1	33	-1.0	-46.72	279.04	-2.30	-49.02
O=C(C1=NNC(=O)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615120	0	30	-1.0	-46.69	263.73	-0.04	-46.73
O=C(C1=NNC(=O)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615120	1	30	-1.0	-46.68	263.81	-0.04	-46.72
CC(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615121	0	32	-1.0	-48.04	272.73	2.62	-45.42
CC(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615121	1	32	-1.0	-48.06	272.80	2.62	-45.44
O=C(C1=CC=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615122	0	28	-1.0	-52.32	253.34	2.99	-49.33
O=C(C1=CC=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615122	1	28	-1.0	-52.34	253.45	2.98	-49.36
CC1=CN=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615123	0	32	-1.0	-52.96	274.30	1.74	-51.22
CC1=CN=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615123	1	32	-1.0	-52.99	274.36	1.75	-51.24
O=C(CC1=CSC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615124	0	31	-1.0	-51.12	278.14	3.87	-47.25
O=C(CC1=CSC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615124	1	31	-1.0	-51.12	278.21	3.86	-47.26
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL250004615125	0	34	-1.0	-55.05	281.10	4.49	-50.56
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL250004615125	1	34	-1.0	-55.01	281.03	4.49	-50.52
O=C(C1=CC=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615126	0	28	-1.0	-51.78	244.26	2.39	-49.39
O=C(C1=CC=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615126	1	28	-1.0	-51.76	244.31	2.41	-49.35
CC(=O)NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615127	0	31	-1.0	-46.98	266.52	-0.41	-47.39
CC(=O)NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615127	1	31	-1.0	-46.98	266.59	-0.41	-47.39
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SC=C1	REAL250004615128	0	31	-1.0	-51.94	271.68	3.63	-48.31
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SC=C1	REAL250004615128	1	31	-1.0	-51.96	271.81	3.64	-48.32
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL250004615129	0	31	-1.0	-52.56	274.72	3.73	-48.83
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL250004615129	1	31	-1.0	-52.58	274.84	3.72	-48.86
O=C(C=CC1=CC=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615130	0	32	-1.0	-52.84	279.68	3.61	-49.23
O=C(C=CC1=CC=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615130	1	32	-1.0	-52.82	279.75	3.61	-49.21
O=C(C1=CC=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615131	0	31	-1.0	-60.02	265.17	3.87	-56.15
O=C(C1=CC=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615131	1	31	-1.0	-60.03	265.24	3.88	-56.15
O=C(C1CCC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615132	0	32	-1.0	-59.54	269.51	-0.25	-59.79
O=C(C1CCC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615132	1	32	-1.0	-59.55	269.58	-0.25	-59.80
CC1CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615133	0	31	-1.0	-53.07	259.58	3.35	-49.72
CC1CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615133	1	31	-1.0	-53.09	259.65	3.34	-49.75
CC=CC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615134	0	32	-1.0	-53.40	275.89	3.96	-49.44
CC=CC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615134	1	32	-1.0	-53.43	275.96	3.97	-49.46
O=C(C1=CC=C[N+]([O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615135	0	31	-1.0	-54.18	267.28	2.35	-51.83
O=C(C1=CC=C[N+]([O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615135	1	31	-1.0	-54.12	267.36	2.35	-51.77
O=C(C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615136	0	31	-1.0	-52.97	253.91	3.16	-49.81
O=C(C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615136	1	31	-1.0	-52.95	253.97	3.17	-49.78
O=C(C1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615137	0	34	-1.0	-53.06	267.06	3.61	-49.45
O=C(C1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615137	1	34	-1.0	-53.09	267.14	3.62	-49.47
CC1=CC=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615138	0	34	-1.0	-52.72	279.08	4.65	-48.07
CC1=CC=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615138	1	34	-1.0	-52.71	279.02	4.63	-48.08
O=C(CCC1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615139	0	40	-1.0	-52.84	313.85	5.34	-47.50
O=C(CCC1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615139	1	40	-1.0	-52.87	313.91	5.33	-47.54
O=C(C1=CC=NC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615140	0	30	-1.0	-51.54	254.88	2.05	-49.49
O=C(C1=CC=NC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615140	1	30	-1.0	-51.50	254.82	2.05	-49.45
O=C(C1=CC=C(F)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615141	0	31	-1.0	-50.59	266.44	3.87	-46.72
O=C(C1=CC=C(F)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615141	1	31	-1.0	-50.56	266.50	3.89	-46.67
O=C(C1=CC=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615142	0	30	-1.0	-50.82	254.92	1.98	-48.84
O=C(C1=CC=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615142	1	30	-1.0	-50.81	254.84	1.98	-48.83
O=C(CC1=CC=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615143	0	31	-1.0	-51.17	278.38	4.04	-47.13
O=C(CC1=CC=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615143	1	31	-1.0	-51.16	278.45	4.04	-47.12
O=C(C1CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615144	0	35	-1.0	-54.68	275.80	1.80	-52.88
O=C(C1CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615144	1	35	-1.0	-54.71	275.88	1.80	-52.91
O=C(CC1C=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615145	0	35	-1.0	-53.85	283.89	4.49	-49.36
O=C(CC1C=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615145	1	35	-1.0	-53.87	283.95	4.50	-49.37
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CO1	REAL250004615146	0	31	-1.0	-52.15	261.89	2.74	-49.41
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CO1	REAL250004615146	1	31	-1.0	-52.12	261.97	2.75	-49.37
O=C(C1=CSC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615147	0	28	-1.0	-53.60	250.49	2.84	-50.76
O=C(C1=CSC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615147	1	28	-1.0	-53.59	250.56	2.85	-50.74
O=C(CN1CCCC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615148	0	35	-1.0	-60.73	293.18	2.56	-58.17
O=C(CN1CCCC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615148	1	35	-1.0	-60.72	293.24	2.55	-58.17
CC(=O)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615149	0	35	-1.0	-65.08	294.34	3.42	-61.66
CC(=O)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615149	1	35	-1.0	-65.09	294.41	3.41	-61.68
O=C(CN1C=NN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615150	0	29	-1.0	-66.50	257.05	1.42	-65.08
O=C(CN1C=NN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615150	1	29	-1.0	-66.48	256.98	1.43	-65.05
CC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615151	0	30	-1.0	-45.36	261.40	2.09	-43.27
CC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615151	1	30	-1.0	-45.34	261.47	2.09	-43.25
CC1=NOC(C)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615152	0	33	-1.0	-47.95	286.66	3.03	-44.92
CC1=NOC(C)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615152	1	33	-1.0	-47.98	286.70	3.02	-44.96
CN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615153	0	31	-1.0	-51.83	263.65	1.59	-50.24
CN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615153	1	31	-1.0	-51.84	263.58	1.58	-50.26
NC(=O)NCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615154	0	33	-1.0	-64.66	281.87	-2.52	-67.18
NC(=O)NCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615154	1	33	-1.0	-64.69	281.94	-2.53	-67.22
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SN=N1	REAL250004615155	0	29	-1.0	-46.31	260.88	1.12	-45.19
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SN=N1	REAL250004615155	1	29	-1.0	-46.29	260.92	1.11	-45.18
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1C	REAL250004615156	0	35	-1.0	-51.68	286.57	3.85	-47.83
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1C	REAL250004615156	1	35	-1.0	-51.73	286.50	3.83	-47.90
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)OC=C1	REAL250004615157	0	31	-1.0	-51.56	262.78	2.90	-48.66
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)OC=C1	REAL250004615157	1	31	-1.0	-51.57	262.85	2.90	-48.67
O=C(C1=COC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615158	0	28	-1.0	-55.25	243.10	1.98	-53.27
O=C(C1=COC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615158	1	28	-1.0	-55.18	243.16	1.99	-53.19
O=C(C1CC=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615159	0	35	-1.0	-51.99	277.18	4.14	-47.85
O=C(C1CC=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615159	1	35	-1.0	-51.99	277.23	4.12	-47.87
O=C(CCC1=CC=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615160	0	34	-1.0	-51.68	290.31	3.86	-47.82
O=C(CCC1=CC=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615160	1	34	-1.0	-51.71	290.37	3.85	-47.86
O=C(C1=CC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615161	0	29	-1.0	-54.90	248.10	2.21	-52.69
O=C(C1=CC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615161	1	29	-1.0	-54.90	248.02	2.20	-52.70
O=C(C1=CC(Cl)=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615162	0	29	-1.0	-53.38	265.05	2.74	-50.64
O=C(C1=CC(Cl)=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615162	1	29	-1.0	-53.32	265.13	2.74	-50.58
O=C(C1=CN=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615163	0	29	-1.0	-53.22	253.21	1.10	-52.12
O=C(C1=CN=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615163	1	29	-1.0	-53.23	253.14	1.10	-52.13
O=C(CN1C=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615164	0	31	-1.0	-60.79	268.40	2.32	-58.47
O=C(CN1C=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615164	1	31	-1.0	-60.75	268.33	2.31	-58.44
O=C(CC1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615165	0	37	-1.0	-53.06	291.34	4.56	-48.50
O=C(CC1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615165	1	37	-1.0	-53.07	291.41	4.56	-48.51
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)O1	REAL250004615166	0	34	-1.0	-51.79	283.79	3.57	-48.22
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)O1	REAL250004615166	1	34	-1.0	-51.77	283.87	3.57	-48.20
CCC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615167	0	34	-1.0	-50.87	288.15	3.79	-47.08
CCC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615167	1	34	-1.0	-50.92	288.22	3.80	-47.12
O=C(C1=CC=C(Cl)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615168	0	28	-1.0	-45.91	261.79	2.82	-43.09
O=C(C1=CC=C(Cl)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615168	1	28	-1.0	-45.90	261.86	2.82	-43.08
O=C(C1CC2CCC1C2)N1CCSCC1C1=N[N-]N=N1	REAL250004615169	0	38	-1.0	-54.06	287.74	4.50	-49.56
O=C(C1CC2CCC1C2)N1CCSCC1C1=NN=N[N-]1	REAL250004615169	1	38	-1.0	-54.05	287.81	4.51	-49.54
O=C(CC1=CC=NC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615170	0	33	-1.0	-53.19	283.03	3.17	-50.02
O=C(CC1=CC=NC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615170	1	33	-1.0	-53.24	283.10	3.16	-50.08
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615171	0	33	-1.0	-50.91	276.38	2.61	-48.30
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615171	1	33	-1.0	-50.95	276.44	2.60	-48.35
CN1C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615172	0	32	-1.0	-52.10	265.58	3.32	-48.78
CN1C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615172	1	32	-1.0	-52.11	265.51	3.32	-48.79
CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615173	0	33	-1.0	-52.45	271.14	3.50	-48.95
CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615173	1	33	-1.0	-52.45	271.21	3.50	-48.95
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=NN1C	REAL250004615174	0	34	-1.0	-51.58	281.28	2.09	-49.49
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=NN1C	REAL250004615174	1	34	-1.0	-51.58	281.35	2.10	-49.48
CCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615175	0	36	-1.0	-52.39	292.64	4.28	-48.11
CCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615175	1	36	-1.0	-52.44	292.71	4.28	-48.16
CC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615176	0	36	-1.0	-50.10	281.34	3.83	-46.27
CC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615176	1	36	-1.0	-50.11	281.41	3.83	-46.28
O=C(CCN1C=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615177	0	33	-1.0	-49.30	285.37	4.34	-44.96
O=C(CCN1C=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615177	1	33	-1.0	-49.32	285.30	4.35	-44.97
O=C(CNC(=O)C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615178	0	35	-1.0	-47.01	297.63	1.17	-45.84
O=C(CNC(=O)C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615178	1	35	-1.0	-47.01	297.69	1.16	-45.85
CCCCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615179	0	42	-1.0	-52.52	335.63	5.85	-46.67
CCCCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615179	1	42	-1.0	-52.56	335.70	5.84	-46.72
CCCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615180	0	39	-1.0	-52.53	314.14	5.06	-47.47
CCCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615180	1	39	-1.0	-52.54	314.21	5.06	-47.48
O=C(CCN1C=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615181	0	34	-1.0	-49.59	290.61	2.91	-46.68
O=C(CCN1C=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615181	1	34	-1.0	-49.59	290.54	2.91	-46.68
O=C(C1=CC=CNC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615182	0	31	-1.0	-61.58	261.07	0.95	-60.63
O=C(C1=CC=CNC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615182	1	31	-1.0	-61.53	261.13	0.96	-60.57
CC(C)SCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615183	0	34	-1.0	-54.40	290.95	3.94	-50.46
CC(C)SCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615183	1	34	-1.0	-54.42	291.01	3.94	-50.48
CC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615184	0	33	-1.0	-52.96	279.51	3.65	-49.31
CC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615184	1	33	-1.0	-52.96	279.58	3.66	-49.30
O=C(C1=CC=CC=C1O)N1CCSCC1C1=NN=N[N-]1	REAL250004615185	0	32	-1.0	-57.32	269.56	1.80	-55.52
O=C(C1=CC=CC=C1O)N1CCSCC1C1=N[N-]N=N1	REAL250004615185	1	32	-1.0	-57.30	269.49	1.79	-55.51
CCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615186	0	33	-1.0	-52.25	265.82	3.37	-48.88
CCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615186	1	33	-1.0	-52.26	265.88	3.37	-48.89
N#CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615187	0	29	-1.0	-61.00	272.02	3.05	-57.95
N#CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615187	1	29	-1.0	-60.99	272.09	3.05	-57.94
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004615188	0	34	-1.0	-52.07	285.74	2.76	-49.31
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004615188	1	34	-1.0	-52.05	285.68	2.75	-49.30
O=C(CN1C=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615189	0	30	-1.0	-61.35	263.21	3.74	-57.61
O=C(CN1C=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615189	1	30	-1.0	-61.37	263.14	3.75	-57.62
O=C(CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615190	0	31	-1.0	-52.81	259.22	3.52	-49.29
O=C(CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615190	1	31	-1.0	-52.83	259.28	3.52	-49.31
CC(C)OCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615191	0	37	-1.0	-50.01	303.94	2.74	-47.27
CC(C)OCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615191	1	37	-1.0	-50.02	304.01	2.73	-47.29
CCC1=NNC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615192	0	34	-1.0	-48.80	286.05	2.09	-46.71
CCC1=NNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615192	1	34	-1.0	-48.77	286.12	2.09	-46.68
O=C(C1COCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615193	0	33	-1.0	-54.10	267.25	1.00	-53.10
O=C(C1COCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615193	1	33	-1.0	-54.14	267.32	1.00	-53.14
COC(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615194	0	30	-1.0	-61.78	260.09	2.71	-59.07
COC(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615194	1	30	-1.0	-61.76	260.16	2.70	-59.06
O=C(CCC1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615195	0	38	-1.0	-51.50	306.13	3.08	-48.42
O=C(CCC1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615195	1	38	-1.0	-51.50	306.20	3.07	-48.43
O=C(C1=NNC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615196	0	28	-1.0	-54.62	243.49	0.94	-53.68
O=C(C1=NNC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615196	1	28	-1.0	-54.65	243.55	0.94	-53.71
O=C(C1=CC=NN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615196	1	28	-1.0	-48.89	242.86	0.72	-48.17
O=C(C1=CC=NN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615196	1	28	-1.0	-48.88	242.94	0.72	-48.16
CC(=O)N(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615197	0	34	-1.0	-55.04	284.26	2.00	-53.04
CC(=O)N(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615197	1	34	-1.0	-55.08	284.33	2.01	-53.07
CCC(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615198	0	36	-1.0	-52.56	275.66	3.62	-48.94
CCC(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615198	1	36	-1.0	-52.54	275.72	3.62	-48.92
CN1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1=O	REAL250004615199	0	35	-1.0	-50.72	285.29	1.58	-49.14
CN1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1=O	REAL250004615199	1	35	-1.0	-50.71	285.36	1.58	-49.13
CC1=NNC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615200	0	31	-1.0	-54.38	262.01	0.94	-53.44
CC1=NNC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615200	1	31	-1.0	-54.44	262.06	0.95	-53.49
O=C(C1=CSN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615201	0	26	-1.0	-46.43	242.28	0.91	-45.52
O=C(C1=CSN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615201	1	26	-1.0	-46.50	242.22	0.90	-45.60
CCCCC(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615202	0	42	-1.0	-51.90	323.60	5.40	-46.50
CCCCC(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615202	1	42	-1.0	-51.88	323.66	5.43	-46.45
CCC(=O)NC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615203	0	37	-1.0	-45.79	306.35	1.28	-44.51
CCC(=O)NC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615203	1	37	-1.0	-45.80	306.41	1.29	-44.51
O=C(C1=CC=CC=[N+]1[O-])N1CCSCC1C1=N[N-]N=N1	REAL250004615204	0	31	-1.0	-59.47	261.81	2.89	-56.58
O=C(C1=CC=CC=[N+]1[O-])N1CCSCC1C1=NN=N[N-]1	REAL250004615204	1	31	-1.0	-59.44	261.88	2.91	-56.53
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SC=N1	REAL250004615205	0	30	-1.0	-51.59	266.91	1.67	-49.92
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SC=N1	REAL250004615205	1	30	-1.0	-51.59	267.01	1.67	-49.92
CCOCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615206	0	37	-1.0	-56.03	305.17	2.76	-53.27
CCOCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615206	1	37	-1.0	-56.02	305.24	2.75	-53.27
O=C(COCC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615207	0	35	-1.0	-57.02	294.39	3.73	-53.29
O=C(COCC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615207	1	35	-1.0	-57.07	294.46	3.72	-53.35
O=C(CC1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615208	0	35	-1.0	-58.23	284.22	2.87	-55.36
O=C(CC1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615208	1	35	-1.0	-58.23	284.29	2.86	-55.37
CC1=CNC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615209	0	32	-1.0	-59.41	268.92	2.44	-56.97
CC1=CNC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615209	1	32	-1.0	-59.42	268.85	2.43	-56.99
CSC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615210	0	31	-1.0	-54.75	267.13	2.85	-51.90
CSC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615210	1	31	-1.0	-54.78	267.20	2.84	-51.94
CCOC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615211	0	34	-1.0	-56.36	274.99	2.71	-53.65
CCOC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615211	1	34	-1.0	-56.34	275.05	2.71	-53.63
O=C(C1=CNN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615212	0	28	-1.0	-50.64	241.65	0.32	-50.32
O=C(C1=CNN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615212	1	28	-1.0	-50.63	241.57	0.30	-50.33
O=C(C1CCC(=O)NC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615214	0	35	-1.0	-52.27	282.07	0.21	-52.06
O=C(C1CCC(=O)NC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615214	1	35	-1.0	-52.27	282.13	0.21	-52.06
COCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615215	0	34	-1.0	-55.86	283.31	1.79	-54.07
COCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615215	1	34	-1.0	-55.90	283.38	1.79	-54.11
CC(F)(F)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615216	0	33	-1.0	-47.71	282.26	3.63	-44.08
CC(F)(F)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615216	1	33	-1.0	-47.68	282.33	3.62	-44.06
O=C(COC1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615217	0	38	-1.0	-57.20	307.41	4.21	-52.99
O=C(COC1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615217	1	38	-1.0	-57.17	307.48	4.21	-52.96
CC1=NC=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615218	0	32	-1.0	-46.94	268.26	2.65	-44.29
CC1=NC=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615218	1	32	-1.0	-46.94	268.32	2.66	-44.28
C=CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615219	0	32	-1.0	-54.31	285.48	3.87	-50.44
C=CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615219	1	32	-1.0	-54.36	285.55	3.87	-50.49
CCOC1CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615220	0	35	-1.0	-57.75	291.03	3.74	-54.01
CCOC1CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615220	1	35	-1.0	-57.83	291.10	3.74	-54.09
CC1=NC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615221	0	32	-1.0	-48.67	274.84	2.73	-45.94
CC1=NC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615221	1	32	-1.0	-48.71	274.91	2.73	-45.98
CCSCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615222	0	34	-1.0	-49.24	294.34	4.08	-45.16
CCSCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615222	1	34	-1.0	-49.29	294.41	4.07	-45.22
COC(=O)NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615223	0	32	-1.0	-48.21	277.64	-1.01	-49.22
COC(=O)NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615223	1	32	-1.0	-48.19	277.71	-1.01	-49.20
O=C(C1=NSN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615224	0	26	-1.0	-46.18	241.03	0.66	-45.52
O=C(C1=NSN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615224	1	26	-1.0	-46.19	240.98	0.66	-45.53
O=C(C1=CN=NS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615225	0	26	-1.0	-47.61	241.95	0.52	-47.09
O=C(C1=CN=NS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615225	1	26	-1.0	-47.62	241.89	0.52	-47.10
CCCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615226	0	34	-1.0	-54.23	294.17	4.11	-50.12
CCCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615226	1	34	-1.0	-54.28	294.24	4.11	-50.17
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615227	0	35	-1.0	-50.62	284.24	4.74	-45.88
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615227	1	35	-1.0	-50.62	284.30	4.78	-45.84
O=C(C1=NOC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615228	0	27	-1.0	-50.05	238.75	1.97	-48.08
O=C(C1=NOC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615228	1	27	-1.0	-50.05	238.70	1.95	-48.10
O=C(C1=CN=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615229	0	27	-1.0	-52.69	247.21	1.05	-51.64
O=C(C1=CN=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615229	1	27	-1.0	-52.61	247.14	1.04	-51.57
CC1=NNC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615230	0	31	-1.0	-49.06	264.61	1.34	-47.72
CC1=NNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615230	1	31	-1.0	-49.00	264.68	1.35	-47.65
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NN1	REAL250004615230	1	31	-1.0	-53.85	265.40	1.50	-52.35
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NN1	REAL250004615230	1	31	-1.0	-53.84	265.47	1.50	-52.34
CC1=CN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=C1	REAL250004615231	0	34	-1.0	-59.83	290.37	2.98	-56.85
CC1=CN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=C1	REAL250004615231	1	34	-1.0	-59.78	290.30	2.99	-56.79
O=C(C=C1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615232	0	35	-1.0	-53.36	282.26	4.63	-48.73
O=C(C=C1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615232	1	35	-1.0	-53.38	282.32	4.62	-48.76
COC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615233	0	31	-1.0	-56.43	257.43	1.64	-54.79
COC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615233	1	31	-1.0	-56.44	257.50	1.64	-54.80
CC1=NN(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615234	0	34	-1.0	-49.77	281.65	2.25	-47.52
CC1=NN(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615234	1	34	-1.0	-49.79	281.72	2.25	-47.54
CCC=C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615235	0	34	-1.0	-54.24	268.49	3.48	-50.76
CCC=C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615235	1	34	-1.0	-54.25	268.56	3.47	-50.78
CC(C)COC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615236	0	40	-1.0	-56.75	316.59	4.19	-52.56
CC(C)COC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615236	1	40	-1.0	-56.75	316.65	4.19	-52.56
CCCC(C)=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615237	0	37	-1.0	-50.72	299.18	4.84	-45.88
CCCC(C)=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615237	1	37	-1.0	-50.73	299.25	4.86	-45.87
CC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL250004615238	0	30	-1.0	-52.67	268.71	1.79	-50.88
CC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL250004615238	1	30	-1.0	-52.68	268.78	1.81	-50.87
CCOC(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615239	0	37	-1.0	-54.44	295.26	3.40	-51.04
CCOC(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615239	1	37	-1.0	-54.41	295.33	3.40	-51.01
O=C(C1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615240	0	32	-1.0	-50.56	258.04	1.07	-49.49
O=C(C1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615240	1	32	-1.0	-50.57	258.11	1.08	-49.49
O=C(C=C1CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615241	0	38	-1.0	-51.62	297.11	5.24	-46.38
O=C(C=C1CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615241	1	38	-1.0	-51.64	297.16	5.27	-46.37
CS(=O)(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615242	0	30	-1.0	-74.26	269.67	-1.05	-75.31
CS(=O)(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615242	1	30	-1.0	-74.25	269.74	-1.05	-75.30
CC(OCC1CC1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615243	0	38	-1.0	-57.19	306.66	4.28	-52.91
CC(OCC1CC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615243	1	38	-1.0	-57.21	306.72	4.28	-52.93
COC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615244	0	31	-1.0	-56.43	257.43	1.64	-54.79
COC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615244	1	31	-1.0	-56.44	257.50	1.64	-54.80
CC(C)OCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615245	0	34	-1.0	-56.46	282.99	2.87	-53.59
CC(C)OCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615245	1	34	-1.0	-56.48	283.06	2.87	-53.61
CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615246	0	37	-1.0	-51.94	296.22	4.77	-47.17
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615246	1	37	-1.0	-51.94	296.29	4.77	-47.17
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=CO1	REAL250004615247	0	30	-1.0	-49.62	257.58	0.63	-48.99
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=CO1	REAL250004615247	1	30	-1.0	-49.64	257.51	0.62	-49.02
C=CCCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615248	0	35	-1.0	-56.05	297.03	3.51	-52.54
C=CCCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615248	1	35	-1.0	-56.07	297.10	3.51	-52.56
O=C(C1=CC=NC(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615250	0	30	-1.0	-52.27	261.88	2.04	-50.23
O=C(C1=CC=NC(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615250	1	30	-1.0	-52.28	261.82	2.03	-50.25
CN1N=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615251	0	31	-1.0	-49.62	258.42	1.67	-47.95
CN1N=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615251	1	31	-1.0	-49.59	258.35	1.66	-47.93
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004615252	0	34	-1.0	-57.20	285.03	3.80	-53.40
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004615252	1	34	-1.0	-57.16	285.09	3.79	-53.37
O=C(CC(F)(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615254	0	27	-1.0	-54.11	245.56	2.37	-51.74
O=C(CC(F)(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615254	1	27	-1.0	-54.14	245.63	2.36	-51.78
O=C(C1CNC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615255	0	32	-1.0	-50.53	264.68	-0.68	-51.21
O=C(C1CNC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615255	1	32	-1.0	-50.52	264.75	-0.67	-51.19
CCCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615256	0	34	-1.0	-56.21	284.22	2.95	-53.26
CCCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615256	1	34	-1.0	-56.24	284.29	2.94	-53.30
CCCCOC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615257	0	40	-1.0	-56.41	317.99	4.28	-52.13
CCCCOC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615257	1	40	-1.0	-56.39	318.04	4.28	-52.11
CC(C)CCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615258	0	40	-1.0	-56.18	323.29	4.24	-51.94
CC(C)CCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615258	1	40	-1.0	-56.22	323.35	4.24	-51.98
COCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615259	0	37	-1.0	-51.86	304.81	2.57	-49.29
COCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615259	1	37	-1.0	-51.90	304.88	2.57	-49.33
NC(=O)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615260	0	34	-1.0	-67.38	287.33	-0.43	-67.81
NC(=O)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615260	1	34	-1.0	-67.35	287.39	-0.44	-67.79
C=CCCOC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615261	0	38	-1.0	-55.98	309.30	4.06	-51.92
C=CCCOC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615261	1	38	-1.0	-55.96	309.36	4.07	-51.89
CCC(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615262	0	34	-1.0	-54.55	277.87	2.50	-52.05
CCC(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615262	1	34	-1.0	-54.54	277.94	2.51	-52.03
O=C(CCN1C=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615263	0	34	-1.0	-49.06	290.03	4.51	-44.55
O=C(CCN1C=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615263	1	34	-1.0	-49.06	290.10	4.50	-44.56
CN1C=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615264	0	34	-1.0	-55.48	291.04	2.72	-52.76
CN1C=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615264	1	34	-1.0	-55.47	290.97	2.72	-52.75
O=C(C1CCCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615265	0	40	-1.0	-52.01	295.10	4.59	-47.42
O=C(C1CCCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615265	1	40	-1.0	-52.00	295.17	4.59	-47.41
COC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615266	0	34	-1.0	-52.95	280.95	2.42	-50.53
COC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615266	1	34	-1.0	-52.96	281.02	2.41	-50.55
CCCC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615267	0	39	-1.0	-51.67	306.10	4.73	-46.94
CCCC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615267	1	39	-1.0	-51.69	306.17	4.72	-46.97
C=CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615268	0	31	-1.0	-51.80	262.45	3.28	-48.52
C=CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615268	1	31	-1.0	-51.80	262.52	3.28	-48.52
CCOCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615269	0	34	-1.0	-49.80	283.67	1.99	-47.81
CCOCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615269	1	34	-1.0	-49.78	283.74	1.99	-47.79
CC(C)CC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615270	0	42	-1.0	-51.18	322.61	5.31	-45.87
CC(C)CC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615270	1	42	-1.0	-51.17	322.67	5.33	-45.84
COCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615271	0	31	-1.0	-49.76	261.82	1.03	-48.73
COCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615271	1	31	-1.0	-49.81	261.89	1.02	-48.79
O=C(C1CCCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615272	0	35	-1.0	-50.26	278.87	1.93	-48.33
O=C(C1CCCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615272	1	35	-1.0	-50.24	278.94	1.93	-48.31
O=C(C1=CSC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615273	0	27	-1.0	-52.60	247.30	1.95	-50.65
O=C(C1=CSC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615273	1	27	-1.0	-52.59	247.25	1.94	-50.65
CCNC(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615274	0	37	-1.0	-48.48	309.24	1.11	-47.37
CCNC(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615274	1	37	-1.0	-48.51	309.31	1.11	-47.40
O=C(C1=COCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615275	0	30	-1.0	-53.85	247.89	1.51	-52.34
O=C(C1=COCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615275	1	30	-1.0	-53.83	247.96	1.51	-52.32
CCC(=O)NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615276	0	34	-1.0	-46.58	287.11	0.40	-46.18
CCC(=O)NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615276	1	34	-1.0	-46.58	287.18	0.39	-46.19
O=C(C1=CNC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615277	0	29	-1.0	-60.17	246.09	1.71	-58.46
O=C(C1=CNC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615277	1	29	-1.0	-60.13	246.02	1.70	-58.43
CN(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615278	0	32	-1.0	-51.90	261.65	0.23	-51.67
CN(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615278	1	32	-1.0	-51.84	261.72	0.22	-51.62
CN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615279	0	31	-1.0	-55.85	266.02	2.31	-53.54
CN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615279	1	31	-1.0	-55.88	265.95	2.32	-53.56
COCCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615280	0	35	-1.0	-59.97	296.35	1.39	-58.58
COCCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615280	1	35	-1.0	-59.99	296.41	1.39	-58.60
CCCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615281	0	36	-1.0	-52.42	284.49	4.04	-48.38
CCCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615281	1	36	-1.0	-52.44	284.55	4.04	-48.40
CC1=NON=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615282	0	29	-1.0	-41.51	254.02	1.79	-39.72
CC1=NON=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615282	1	29	-1.0	-41.53	254.08	1.81	-39.72
O=C(C1=CNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615284	0	28	-1.0	-54.53	243.01	2.34	-52.19
O=C(C1=CNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615284	1	28	-1.0	-54.47	243.08	2.33	-52.14
O=C(C1=COC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615285	0	27	-1.0	-50.71	239.24	-0.16	-50.87
O=C(C1=COC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615285	1	27	-1.0	-50.70	239.17	-0.17	-50.87
O=C(CC1CCC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615286	0	35	-1.0	-59.03	289.52	0.66	-58.37
O=C(CC1CCC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615286	1	35	-1.0	-59.03	289.58	0.65	-58.38
O=C([C@H]1CCC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615287	0	32	-1.0	-59.92	268.50	-0.31	-60.23
O=C([C@H]1CCC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615287	1	32	-1.0	-59.95	268.57	-0.31	-60.26
O=C(C1=CC=C(F)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615289	0	30	-1.0	-47.30	261.26	1.94	-45.36
O=C(C1=CC=C(F)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615289	1	30	-1.0	-47.31	261.19	1.94	-45.37
CC(C#N)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615290	0	28	-1.0	-57.97	243.29	2.21	-55.76
CC(C#N)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615290	1	28	-1.0	-57.95	243.34	2.22	-55.73
O=C(CC1=CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615292	0	38	-1.0	-52.04	304.04	5.16	-46.88
O=C(CC1=CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615292	1	38	-1.0	-52.04	304.11	5.16	-46.88
CC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1	REAL250004615293	0	31	-1.0	-53.24	265.33	2.16	-51.08
CC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1	REAL250004615293	1	31	-1.0	-53.20	265.40	2.15	-51.05
CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615294	0	42	-1.0	-49.51	313.33	5.25	-44.26
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615294	1	42	-1.0	-49.55	313.39	5.27	-44.28
COCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615295	0	34	-1.0	-49.39	276.77	1.70	-47.69
COCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615295	1	34	-1.0	-49.42	276.82	1.70	-47.72
CC(C)(C)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615296	0	42	-1.0	-52.70	326.37	5.19	-47.51
CC(C)(C)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615296	1	42	-1.0	-52.70	326.44	5.19	-47.51
C=CCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615297	0	32	-1.0	-56.72	275.63	2.72	-54.00
C=CCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615297	1	32	-1.0	-56.72	275.69	2.72	-54.00
CC1=NN(C)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615298	0	34	-1.0	-55.92	284.94	2.25	-53.67
CC1=NN(C)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615298	1	34	-1.0	-55.93	285.00	2.26	-53.67
CCN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615299	0	34	-1.0	-51.44	286.09	2.50	-48.94
CCN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615299	1	34	-1.0	-51.43	286.01	2.49	-48.94
CCCCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615300	0	37	-1.0	-56.37	305.72	3.73	-52.64
CCCCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615300	1	37	-1.0	-56.36	305.78	3.72	-52.64
CC(C)(C)C(=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615301	0	35	-1.0	-43.89	285.41	3.02	-40.87
CC(C)(C)C(=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615301	1	35	-1.0	-43.93	285.48	3.02	-40.91
O=C(CC1CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615302	0	38	-1.0	-51.53	299.07	2.81	-48.72
O=C(CC1CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615302	1	38	-1.0	-51.56	299.14	2.81	-48.75
CSCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615303	0	34	-1.0	-48.92	286.86	3.76	-45.16
CSCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615303	1	34	-1.0	-48.89	286.91	3.77	-45.12
CC1=CC=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615304	0	33	-1.0	-49.77	274.49	2.82	-46.95
CC1=CC=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615304	1	33	-1.0	-49.76	274.54	2.85	-46.91
CC1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615305	0	40	-1.0	-53.35	309.28	4.98	-48.37
CC1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615305	1	40	-1.0	-53.40	309.35	4.97	-48.43
O=C(CCC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615306	0	34	-1.0	-52.70	281.25	4.29	-48.41
O=C(CCC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615306	1	34	-1.0	-52.69	281.32	4.27	-48.42
CC(C)C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615307	0	36	-1.0	-52.61	277.63	3.50	-49.11
CC(C)C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615307	1	36	-1.0	-52.64	277.69	3.49	-49.15
O=C(C1CCSCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615308	0	35	-1.0	-52.51	285.86	3.90	-48.61
O=C(C1CCSCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615308	1	35	-1.0	-52.49	285.93	3.89	-48.60
O=C(CC1=CC=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615309	0	33	-1.0	-54.36	282.98	3.14	-51.22
O=C(CC1=CC=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615309	1	33	-1.0	-54.40	283.05	3.14	-51.26
CN1CCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615310	0	36	-1.0	-49.87	279.37	0.85	-49.02
CN1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615310	1	36	-1.0	-49.85	279.44	0.85	-49.00
CC1=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=NO1	REAL250004615311	0	33	-1.0	-60.93	284.31	3.13	-57.80
CC1=CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=NO1	REAL250004615311	1	33	-1.0	-60.91	284.38	3.13	-57.78
O=C(C1CC2CCC1O2)N1CCSCC1C1=N[N-]N=N1	REAL250004615312	0	36	-1.0	-59.27	283.11	2.24	-57.03
O=C(C1CC2CCC1O2)N1CCSCC1C1=NN=N[N-]1	REAL250004615312	1	36	-1.0	-59.31	283.18	2.24	-57.07
NC1=NC=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615313	0	31	-1.0	-50.53	270.82	-0.64	-51.17
NC1=NC=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615313	1	31	-1.0	-50.53	270.76	-0.66	-51.19
O=C(NC1CC1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615314	0	32	-1.0	-42.32	273.88	0.46	-41.86
O=C(NC1CC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615314	1	32	-1.0	-42.34	273.93	0.47	-41.87
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=NN1C	REAL250004615315	0	33	-1.0	-47.63	278.42	1.36	-46.27
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=NN1C	REAL250004615315	1	33	-1.0	-47.65	278.49	1.36	-46.29
CC(C)(C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615316	0	39	-1.0	-52.54	304.87	4.43	-48.11
CC(C)(C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615316	1	39	-1.0	-52.51	304.94	4.42	-48.09
O=C(CC1(O)CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615317	0	38	-1.0	-49.78	297.45	2.21	-47.57
O=C(CC1(O)CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615317	1	38	-1.0	-49.82	297.52	2.21	-47.61
O=C(C1CC=CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615318	0	32	-1.0	-52.61	257.27	3.48	-49.13
O=C(C1CC=CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615318	1	32	-1.0	-52.59	257.34	3.48	-49.11
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=CO1	REAL250004615319	0	33	-1.0	-49.80	279.21	1.38	-48.42
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=CO1	REAL250004615319	1	33	-1.0	-49.80	279.13	1.38	-48.42
O=C(CC1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615320	0	35	-1.0	-55.15	282.37	2.01	-53.14
O=C(CC1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615320	1	35	-1.0	-55.12	282.44	2.01	-53.11
O=C(CC1=NNC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615321	0	31	-1.0	-59.19	267.20	1.38	-57.81
O=C(CC1=NNC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615321	1	31	-1.0	-59.20	267.27	1.38	-57.82
O=C(C1=CCCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615322	0	33	-1.0	-51.07	271.89	2.76	-48.31
O=C(C1=CCCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615322	1	33	-1.0	-51.08	271.96	2.76	-48.32
CC1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615323	0	40	-1.0	-53.24	305.95	4.82	-48.42
CC1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615323	1	40	-1.0	-53.26	306.03	4.82	-48.44
O=C(C1=CC=NC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615325	0	30	-1.0	-55.76	260.49	2.17	-53.59
O=C(C1=CC=NC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615325	1	30	-1.0	-55.75	260.42	2.16	-53.59
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004615326	0	34	-1.0	-56.33	287.18	4.14	-52.19
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004615326	1	34	-1.0	-56.33	287.25	4.13	-52.20
O=C(CC1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615327	0	34	-1.0	-53.31	275.96	4.02	-49.29
O=C(CC1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615327	1	34	-1.0	-53.35	276.02	4.02	-49.33
CCC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615328	0	39	-1.0	-50.06	295.57	4.32	-45.74
CCC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615328	1	39	-1.0	-50.10	295.63	4.31	-45.79
O=C(C1CCCS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615329	0	32	-1.0	-50.47	271.25	3.60	-46.87
O=C(C1CCCS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615329	1	32	-1.0	-50.42	271.32	3.60	-46.82
CN1CCOC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615330	0	37	-1.0	-55.10	294.33	0.38	-54.72
CN1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615330	1	37	-1.0	-55.15	294.40	0.39	-54.76
CC1=NC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615331	0	33	-1.0	-49.10	278.90	0.47	-48.63
CC1=NC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615331	1	33	-1.0	-49.11	278.95	0.49	-48.62
CN(C)C(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615332	0	34	-1.0	-68.43	281.63	2.72	-65.71
CN(C)C(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615332	1	34	-1.0	-68.42	281.69	2.71	-65.71
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004615333	0	30	-1.0	-52.94	259.81	2.93	-50.01
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004615333	1	30	-1.0	-52.91	259.86	2.94	-49.97
O=C(C1=CC=CC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615334	0	31	-1.0	-47.55	265.92	1.50	-46.05
O=C(C1=CC=CC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615334	1	31	-1.0	-47.52	265.98	1.51	-46.01
O=C(CCC1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615335	0	37	-1.0	-52.64	297.87	4.80	-47.84
O=C(CCC1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615335	1	37	-1.0	-52.64	297.94	4.80	-47.84
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCC1	REAL250004615336	0	40	-1.0	-53.83	308.85	5.21	-48.62
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCC1	REAL250004615336	1	40	-1.0	-53.85	308.91	5.21	-48.64
CC1=CSC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615337	0	31	-1.0	-52.63	268.40	3.51	-49.12
CC1=CSC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615337	1	31	-1.0	-52.64	268.46	3.51	-49.13
CC1=CC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615338	0	34	-1.0	-50.92	284.70	3.72	-47.20
CC1=CC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615338	1	34	-1.0	-50.94	284.77	3.73	-47.21
O=C(CCN1C=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615339	0	35	-1.0	-48.08	295.35	4.80	-43.28
O=C(CCN1C=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615339	1	35	-1.0	-48.11	295.41	4.79	-43.32
C=CCOCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615340	0	38	-1.0	-56.37	318.07	3.33	-53.04
C=CCOCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615340	1	38	-1.0	-56.39	318.14	3.33	-53.06
CC1=CN=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615341	0	33	-1.0	-50.84	276.52	2.63	-48.21
CC1=CN=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615341	1	33	-1.0	-50.84	276.46	2.62	-48.22
O=C(CCC(F)(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615342	0	30	-1.0	-47.74	267.77	3.11	-44.63
O=C(CCC(F)(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615342	1	30	-1.0	-47.74	267.84	3.10	-44.64
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)OC=N1	REAL250004615343	0	30	-1.0	-50.19	257.91	-0.44	-50.63
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)OC=N1	REAL250004615343	1	30	-1.0	-50.19	257.98	-0.43	-50.62
CN1CCCC[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615344	0	39	-1.0	-52.51	300.19	1.90	-50.61
CN1CCCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615344	1	39	-1.0	-52.53	300.26	1.90	-50.63
O=C(C1C2CCCC21)N1CCSCC1C1=N[N-]N=N1	REAL250004615345	0	35	-1.0	-53.43	283.43	4.58	-48.85
O=C(C1C2CCCC21)N1CCSCC1C1=NN=N[N-]1	REAL250004615345	1	35	-1.0	-53.42	283.50	4.59	-48.83
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615346	0	34	-1.0	-51.86	276.22	3.95	-47.91
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615346	1	34	-1.0	-52.02	278.04	4.00	-48.02
N#CC1=CNC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615347	0	30	-1.0	-56.52	269.06	2.67	-53.85
N#CC1=CNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615347	1	30	-1.0	-56.61	269.13	2.67	-53.94
O=C(C#CC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615348	0	33	-1.0	-53.28	295.97	5.60	-47.68
O=C(C#CC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615348	1	33	-1.0	-53.26	296.04	5.60	-47.66
O=C(CCC1=COC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615349	0	34	-1.0	-52.17	290.29	3.70	-48.47
O=C(CCC1=COC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615349	1	34	-1.0	-52.15	290.36	3.69	-48.46
CC1=CC=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615350	0	33	-1.0	-54.08	281.75	3.09	-50.99
CC1=CC=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615350	1	33	-1.0	-54.08	281.69	3.08	-51.00
CC=C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615351	0	31	-1.0	-54.13	251.57	2.89	-51.24
CC=C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615351	1	31	-1.0	-54.19	251.62	2.89	-51.30
CC1(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1(C)C	REAL250004615352	0	40	-1.0	-52.04	309.70	4.94	-47.10
CC1(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1(C)C	REAL250004615352	1	40	-1.0	-52.02	309.78	4.95	-47.07
O=C(CCC1=NN=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615353	0	33	-1.0	-53.65	283.55	3.16	-50.49
O=C(CCC1=NN=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615353	1	33	-1.0	-53.64	283.62	3.14	-50.50
CSC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615354	0	29	-1.0	-50.74	262.75	2.84	-47.90
CSC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615354	1	29	-1.0	-50.69	262.82	2.85	-47.84
O=C(CCC1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615355	0	38	-1.0	-53.96	303.59	2.73	-51.23
O=C(CCC1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615355	1	38	-1.0	-53.96	303.66	2.72	-51.24
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)C(F)F	REAL250004615356	0	27	-1.0	-42.34	249.27	2.30	-40.04
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)C(F)F	REAL250004615356	1	27	-1.0	-42.31	249.34	2.30	-40.01
O=C(CN1C=CN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615357	0	30	-1.0	-66.16	262.27	1.03	-65.13
O=C(CN1C=CN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615357	1	30	-1.0	-66.16	262.20	1.03	-65.13
O=CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615358	0	31	-1.0	-53.37	272.93	1.77	-51.60
O=CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615358	1	31	-1.0	-53.37	273.01	1.77	-51.60
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CN1	REAL250004615359	0	32	-1.0	-55.34	266.56	2.40	-52.94
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CN1	REAL250004615359	1	32	-1.0	-55.36	266.49	2.39	-52.97
C=CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615360	0	34	-1.0	-52.67	283.95	4.06	-48.61
C=CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615360	1	34	-1.0	-52.70	284.02	4.06	-48.64
O=C(COC1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615361	0	36	-1.0	-60.86	298.17	1.60	-59.26
O=C(COC1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615361	1	36	-1.0	-60.87	298.24	1.59	-59.28
O=C(C1CC12CCCC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615362	0	38	-1.0	-54.16	303.00	5.11	-49.05
O=C(C1CC12CCCC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615362	1	38	-1.0	-54.15	303.06	5.09	-49.06
O=C(C1CC(F)(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615363	0	31	-1.0	-50.12	267.64	3.37	-46.75
O=C(C1CC(F)(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615363	1	31	-1.0	-50.13	267.71	3.37	-46.76
O=C(C1=CC(=O)NC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615364	0	31	-1.0	-65.23	264.75	0.76	-64.47
O=C(C1=CC(=O)NC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615364	1	31	-1.0	-65.24	264.82	0.76	-64.48
O=C(C1=CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615365	0	32	-1.0	-52.72	263.11	3.74	-48.98
O=C(C1=CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615365	1	32	-1.0	-52.72	263.17	3.74	-48.98
CC1=NNC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615366	0	34	-1.0	-55.57	290.04	1.84	-53.73
CC1=NNC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615366	1	34	-1.0	-55.60	290.11	1.84	-53.76
CN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615367	0	32	-1.0	-56.42	268.13	3.53	-52.89
CN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615367	1	32	-1.0	-56.38	268.06	3.52	-52.86
O=C(C=C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615368	0	32	-1.0	-53.29	265.95	4.03	-49.26
O=C(C=C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615368	1	32	-1.0	-53.30	266.01	4.04	-49.26
COCC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615369	0	37	-1.0	-54.81	299.31	2.42	-52.39
COCC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615369	1	37	-1.0	-54.83	299.38	2.41	-52.42
O=C(CC1CCCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615370	0	38	-1.0	-56.11	302.40	3.75	-52.36
O=C(CC1CCCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615370	1	38	-1.0	-56.08	302.46	3.76	-52.32
O=C(CC1=CC=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615371	0	33	-1.0	-54.36	282.98	3.14	-51.22
O=C(CC1=CC=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615371	1	33	-1.0	-54.40	283.05	3.14	-51.26
O=C(C1CCNC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615372	0	35	-1.0	-52.78	285.46	0.35	-52.43
O=C(C1CCNC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615372	1	35	-1.0	-52.79	285.52	0.36	-52.43
O=C(C(F)=C1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615373	0	35	-1.0	-47.20	288.32	4.59	-42.61
O=C(C(F)=C1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615373	1	35	-1.0	-47.17	288.38	4.60	-42.57
CCC1(C)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615374	0	37	-1.0	-52.27	291.61	4.53	-47.74
CCC1(C)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615374	1	37	-1.0	-52.27	291.68	4.53	-47.74
O=C(C1CC12CCC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615375	0	35	-1.0	-53.48	285.56	4.60	-48.88
O=C(C1CC12CCC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615375	1	35	-1.0	-53.49	285.63	4.61	-48.88
O=C(C1=CN=CC(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615376	0	30	-1.0	-49.13	261.48	2.04	-47.09
O=C(C1=CN=CC(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615376	1	30	-1.0	-49.16	261.41	2.03	-47.13
CCC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)CC	REAL250004615377	0	37	-1.0	-49.63	296.01	4.90	-44.73
CCC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)CC	REAL250004615377	1	37	-1.0	-49.64	296.07	4.92	-44.72
CC1CCC(CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615378	0	40	-1.0	-52.87	311.94	5.18	-47.69
CC1CCC(CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615378	1	40	-1.0	-52.89	312.01	5.18	-47.71
CCC(CC)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615379	0	39	-1.0	-52.14	298.50	4.58	-47.56
CCC(CC)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615379	1	39	-1.0	-52.15	298.57	4.58	-47.57
CC=C(C=CC(=O)N1CCSCC1C1=N[N-]N=N1)CC	REAL250004615380	0	38	-1.0	-53.35	311.09	5.13	-48.22
CC=C(C=CC(=O)N1CCSCC1C1=NN=N[N-]1)CC	REAL250004615380	1	38	-1.0	-53.37	311.15	5.14	-48.23
CC1CCC(=CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615381	0	38	-1.0	-53.12	303.14	5.27	-47.85
CC1CCC(=CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615381	1	38	-1.0	-53.09	303.21	5.28	-47.81
O=C(C1CCSC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615382	0	32	-1.0	-51.77	264.40	3.23	-48.54
O=C(C1CCSC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615382	1	32	-1.0	-51.83	264.47	3.23	-48.60
CC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615383	0	34	-1.0	-53.02	274.28	3.78	-49.24
CC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615383	1	34	-1.0	-53.00	274.35	3.79	-49.21
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C1CCCC1	REAL250004615384	0	38	-1.0	-54.94	297.14	4.96	-49.98
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C1CCCC1	REAL250004615384	1	38	-1.0	-54.95	297.21	4.97	-49.98
CN1C=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615385	0	31	-1.0	-54.52	265.52	4.22	-50.30
CN1C=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615385	1	31	-1.0	-54.54	265.46	4.21	-50.33
COC(=O)CC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615386	0	36	-1.0	-47.62	296.43	3.30	-44.32
COC(=O)CC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615386	1	36	-1.0	-47.63	296.49	3.30	-44.33
CC1=C(C)OC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615387	0	34	-1.0	-52.18	287.42	3.69	-48.49
CC1=C(C)OC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615387	1	34	-1.0	-52.19	287.49	3.68	-48.51
C=CCC(CC=C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615388	0	38	-1.0	-52.91	304.96	4.82	-48.09
C=CCC(CC=C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615388	1	38	-1.0	-52.96	305.03	4.83	-48.13
CC1=CC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615389	0	35	-1.0	-53.87	288.57	3.42	-50.45
CC1=CC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615389	1	35	-1.0	-53.87	288.55	3.42	-50.45
CCC1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615390	0	38	-1.0	-59.09	301.83	3.76	-55.33
CCC1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615390	1	38	-1.0	-59.06	301.90	3.76	-55.30
CC1(C)C[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615391	0	34	-1.0	-52.06	274.43	3.88	-48.18
CC1(C)C[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615391	1	34	-1.0	-52.09	274.49	3.89	-48.20
CNC(=O)NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615392	0	33	-1.0	-47.96	281.67	-1.77	-49.73
CNC(=O)NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615392	1	33	-1.0	-48.00	281.74	-1.77	-49.77
O=C(C1CCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615393	0	29	-1.0	-59.01	244.48	1.34	-57.67
O=C(C1CCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615393	1	29	-1.0	-59.04	244.55	1.34	-57.70
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=C1	REAL250004615394	0	33	-1.0	-53.01	279.97	3.66	-49.35
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=C1	REAL250004615394	1	33	-1.0	-52.96	279.90	3.66	-49.30
CC1=CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615395	0	34	-1.0	-55.51	290.82	3.88	-51.63
CC1=CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615395	1	34	-1.0	-55.55	290.89	3.88	-51.67
CCCC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615396	0	42	-1.0	-49.34	315.48	5.12	-44.22
CCCC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615396	1	42	-1.0	-49.36	315.54	5.15	-44.21
CCC(C)C(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615397	0	37	-1.0	-50.98	286.90	1.51	-49.47
CCC(C)C(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615397	1	37	-1.0	-51.02	286.97	1.51	-49.51
O=C(C1CC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615398	0	30	-1.0	-50.96	257.13	2.28	-48.68
O=C(C1CC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615398	1	30	-1.0	-50.98	257.20	2.28	-48.70
CN1CCOCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615399	0	37	-1.0	-50.21	291.17	-0.42	-50.63
CN1CCOCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615399	1	37	-1.0	-50.20	291.23	-0.40	-50.60
O=C(C1=CN=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615400	0	27	-1.0	-51.13	239.75	-1.06	-52.19
O=C(C1=CN=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615400	1	27	-1.0	-51.12	239.68	-1.07	-52.19
CC1=NN=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615401	0	32	-1.0	-49.77	269.68	1.81	-47.96
CC1=NN=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615401	1	32	-1.0	-49.80	269.72	1.84	-47.96
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)CCCO1	REAL250004615402	0	36	-1.0	-52.69	285.14	2.87	-49.82
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)CCCO1	REAL250004615402	1	36	-1.0	-52.68	285.31	2.88	-49.80
O=C(CN1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615403	0	36	-1.0	-51.98	284.12	1.13	-50.85
O=C(CN1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615403	1	36	-1.0	-52.00	284.19	1.13	-50.87
O=C(CN1CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615404	0	37	-1.0	-51.89	294.62	-0.13	-52.02
O=C(CN1CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615404	1	37	-1.0	-51.92	294.68	-0.13	-52.05
CSC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615405	0	34	-1.0	-52.42	288.70	3.75	-48.67
CSC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615405	1	34	-1.0	-52.42	288.77	3.74	-48.68
NC(=O)NC1(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615406	0	34	-1.0	-68.26	288.81	-1.65	-69.91
NC(=O)NC1(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615406	1	34	-1.0	-68.24	288.87	-1.64	-69.88
CCC(SC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615407	0	34	-1.0	-46.99	286.08	3.73	-43.26
CCC(SC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615407	1	34	-1.0	-46.97	286.14	3.74	-43.23
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=CC=C1	REAL250004615408	0	35	-1.0	-54.66	286.51	4.29	-50.37
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=CC=C1	REAL250004615408	1	35	-1.0	-54.66	286.58	4.29	-50.37
CCN(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615409	1	39	-1.0	-54.18	303.90	2.51	-51.67
CCN(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615409	1	39	-1.0	-54.21	303.97	2.54	-51.67
O=C(C1=NNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615410	0	27	-1.0	-59.03	237.86	1.65	-57.38
O=C(C1=NNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615410	1	27	-1.0	-59.07	237.92	1.66	-57.41
CC1(OCC(=O)N2CCSCC2C2=N[N-]N=N2)CCC1	REAL250004615411	0	38	-1.0	-57.21	305.31	3.93	-53.28
CC1(OCC(=O)N2CCSCC2C2=NN=N[N-]2)CCC1	REAL250004615411	1	38	-1.0	-57.23	305.38	3.94	-53.29
O=C(C1CCCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615412	0	35	-1.0	-57.32	278.56	2.95	-54.37
O=C(C1CCCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615412	1	35	-1.0	-57.33	278.62	2.94	-54.39
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)CCC1	REAL250004615413	0	35	-1.0	-53.39	285.06	4.28	-49.11
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)CCC1	REAL250004615413	1	35	-1.0	-53.35	285.15	4.29	-49.06
CC1=NNC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL250004615414	0	32	-1.0	-47.85	275.50	-0.41	-48.26
CC1=NNC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL250004615414	1	32	-1.0	-47.87	275.56	-0.41	-48.28
CCC(C)OCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615415	0	37	-1.0	-56.65	303.76	3.68	-52.97
CCC(C)OCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615415	1	37	-1.0	-56.67	303.83	3.68	-52.99
CC(C)C(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615416	0	37	-1.0	-56.33	294.75	1.70	-54.63
CC(C)C(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615416	1	37	-1.0	-56.37	294.82	1.70	-54.67
O=C(CC1COC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615418	0	34	-1.0	-52.84	285.01	3.09	-49.75
O=C(CC1COC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615418	1	34	-1.0	-52.87	285.08	3.10	-49.77
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NC=N1	REAL250004615419	0	32	-1.0	-48.67	274.68	3.42	-45.25
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NC=N1	REAL250004615419	1	32	-1.0	-48.67	274.75	3.41	-45.26
O=C(CC1=CC=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615420	0	31	-1.0	-54.67	268.96	3.07	-51.60
O=C(CC1=CC=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615420	1	31	-1.0	-54.69	269.02	3.07	-51.62
CC1(C)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615421	0	34	-1.0	-51.99	274.95	3.89	-48.10
CC1(C)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615421	1	34	-1.0	-52.00	275.01	3.89	-48.11
N#CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615422	0	30	-1.0	-48.24	269.26	2.49	-45.75
N#CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615422	1	30	-1.0	-48.26	269.34	2.50	-45.76
CCOC=C(C#N)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615423	0	33	-1.0	-55.38	296.37	2.58	-52.80
CCOC=C(C#N)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615423	1	33	-1.0	-55.37	296.43	2.58	-52.79
CCC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL250004615424	0	33	-1.0	-48.97	282.95	1.26	-47.71
CCC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL250004615424	1	33	-1.0	-49.00	283.02	1.26	-47.74
COC(=O)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615425	0	36	-1.0	-62.89	305.11	3.54	-59.35
COC(=O)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615425	1	36	-1.0	-62.89	305.17	3.53	-59.36
O=C(C1=CC=C(F)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615426	0	30	-1.0	-48.52	264.89	3.07	-45.45
O=C(C1=CC=C(F)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615426	1	30	-1.0	-48.57	264.83	3.06	-45.51
CCC(C)=C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615427	0	37	-1.0	-53.06	298.98	4.43	-48.63
CCC(C)=C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615427	1	37	-1.0	-53.06	299.05	4.44	-48.62
CC1=NSC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615428	0	30	-1.0	-49.20	264.71	2.22	-46.98
CC1=NSC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615428	1	30	-1.0	-49.20	264.76	2.21	-46.99
O=C(C1CCCCS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615429	0	35	-1.0	-52.19	289.63	4.31	-47.88
O=C(C1CCCCS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615429	1	35	-1.0	-52.23	289.69	4.33	-47.90
O=C(CC(=O)N1CCSCC1C1=N[N-]N=N1)NC1CC1	REAL250004615430	0	35	-1.0	-67.66	295.83	2.48	-65.18
O=C(CC(=O)N1CCSCC1C1=NN=N[N-]1)NC1CC1	REAL250004615430	1	35	-1.0	-67.65	295.90	2.47	-65.18
C#CCNC(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615431	0	33	-1.0	-66.36	291.49	2.13	-64.23
C#CCNC(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615431	1	33	-1.0	-66.34	291.56	2.12	-64.22
CC1CCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615432	0	37	-1.0	-53.84	284.73	4.77	-49.07
CC1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615432	1	37	-1.0	-53.83	284.81	4.79	-49.04
CC1OCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615433	0	35	-1.0	-57.29	275.56	1.92	-55.37
CC1OCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615433	1	35	-1.0	-57.30	275.62	1.94	-55.36
O=C(C1CCC=CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615434	0	33	-1.0	-55.82	269.80	3.31	-52.51
O=C(C1CCC=CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615434	1	33	-1.0	-55.80	269.86	3.30	-52.50
CC(C)(C)OCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615435	0	37	-1.0	-56.52	297.02	3.29	-53.23
CC(C)(C)OCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615435	1	37	-1.0	-56.54	297.09	3.28	-53.26
N#CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1	REAL250004615436	0	30	-1.0	-57.49	267.79	2.00	-55.49
N#CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1	REAL250004615436	1	30	-1.0	-57.49	267.86	2.02	-55.47
COCCCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615437	0	40	-1.0	-51.56	318.16	3.11	-48.45
COCCCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615437	1	40	-1.0	-51.55	318.22	3.12	-48.43
C#CCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615438	0	35	-1.0	-52.35	298.42	4.80	-47.55
C#CCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615438	1	35	-1.0	-52.40	298.49	4.80	-47.60
O=C(C1=CC=CC(F)=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615439	0	30	-1.0	-48.80	264.96	2.97	-45.83
O=C(C1=CC=CC(F)=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615439	1	30	-1.0	-48.77	264.89	2.97	-45.80
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=NC=N1	REAL250004615440	0	33	-1.0	-52.72	280.61	4.01	-48.71
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=NC=N1	REAL250004615440	1	33	-1.0	-52.76	280.55	4.01	-48.75
O=C([C@@H]1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615441	0	32	-1.0	-58.02	261.46	2.23	-55.79
O=C([C@@H]1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615441	1	32	-1.0	-58.03	261.52	2.21	-55.82
O=C([C@H]1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615442	0	32	-1.0	-58.42	258.86	2.13	-56.29
O=C([C@H]1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615442	1	32	-1.0	-58.42	258.92	2.14	-56.28
C#CCOCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615443	0	33	-1.0	-50.49	289.46	2.54	-47.95
C#CCOCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615443	1	33	-1.0	-50.49	289.52	2.53	-47.96
CC(O)(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615444	0	38	-1.0	-49.58	298.18	2.53	-47.05
CC(O)(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615444	1	38	-1.0	-49.59	298.25	2.54	-47.05
CCC(CC)C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615445	0	42	-1.0	-52.01	311.03	4.71	-47.30
CCC(CC)C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615445	1	42	-1.0	-51.99	311.10	4.71	-47.28
CC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CCO1	REAL250004615446	0	38	-1.0	-54.57	300.23	2.67	-51.90
CC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CCO1	REAL250004615446	1	38	-1.0	-54.58	300.30	2.67	-51.91
CC1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615447	0	37	-1.0	-53.50	290.81	4.35	-49.15
CC1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615447	1	37	-1.0	-53.50	290.88	4.36	-49.14
O=C(C1=CN=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615448	0	29	-1.0	-49.17	249.39	1.78	-47.39
O=C(C1=CN=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615448	1	29	-1.0	-49.16	249.33	1.79	-47.37
O=C(C1=NC=CC=C1O)N1CCSCC1C1=N[N-]N=N1	REAL250004615449	0	31	-1.0	-54.52	266.68	1.37	-53.15
O=C(C1=NC=CC=C1O)N1CCSCC1C1=NN=N[N-]1	REAL250004615449	1	31	-1.0	-54.52	266.75	1.39	-53.13
O=C(C1CC12CCOC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615450	0	36	-1.0	-50.71	291.82	2.44	-48.27
O=C(C1CC12CCOC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615450	1	36	-1.0	-50.72	291.90	2.44	-48.28
CN1N=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL250004615451	0	33	-1.0	-50.21	276.78	0.51	-49.70
CN1N=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL250004615451	1	33	-1.0	-50.19	276.71	0.51	-49.68
O=C(C1=CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615452	0	33	-1.0	-52.55	264.60	1.64	-50.91
O=C(C1=CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615452	1	33	-1.0	-52.57	264.68	1.65	-50.92
O=C(C1=CSC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615453	0	28	-1.0	-49.79	256.16	-0.36	-50.15
O=C(C1=CSC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615453	1	28	-1.0	-49.82	256.22	-0.35	-50.17
CC#CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615454	0	35	-1.0	-56.43	298.75	4.98	-51.45
CC#CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615454	1	35	-1.0	-56.42	298.82	4.97	-51.45
O=C(C1C=CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615455	0	35	-1.0	-51.51	280.70	4.27	-47.24
O=C(C1C=CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615455	1	35	-1.0	-51.51	280.76	4.27	-47.24
COC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615456	0	31	-1.0	-44.55	271.72	-0.34	-44.89
COC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615456	1	31	-1.0	-44.53	271.67	-0.36	-44.89
CCNC(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615457	0	34	-1.0	-67.43	285.72	1.63	-65.80
CCNC(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615457	1	34	-1.0	-67.44	285.79	1.62	-65.82
CNC(=O)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615458	0	37	-1.0	-67.82	309.26	1.05	-66.77
CNC(=O)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615458	1	37	-1.0	-67.85	309.32	1.05	-66.80
C#CCCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615459	0	38	-1.0	-55.13	319.92	5.58	-49.55
C#CCCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615459	1	38	-1.0	-55.13	319.99	5.58	-49.55
CC1(C)CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615460	0	40	-1.0	-53.84	309.02	4.85	-48.99
CC1(C)CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615460	1	40	-1.0	-53.84	309.09	4.85	-48.99
COC(C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615461	0	37	-1.0	-52.18	302.86	2.57	-49.61
COC(C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615461	1	37	-1.0	-52.21	302.93	2.56	-49.65
CCC(C)C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615462	0	39	-1.0	-53.01	295.85	4.12	-48.89
CCC(C)C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615462	1	39	-1.0	-53.04	295.92	4.11	-48.93
CC(C)OCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615463	0	40	-1.0	-56.04	325.44	3.50	-52.54
CC(C)OCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615463	1	40	-1.0	-56.02	325.51	3.50	-52.52
C#CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615464	0	29	-1.0	-51.03	255.42	3.24	-47.79
C#CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615464	1	29	-1.0	-51.06	255.49	3.23	-47.83
COC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CCC1	REAL250004615465	0	38	-1.0	-55.64	301.59	3.83	-51.81
COC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CCC1	REAL250004615465	1	38	-1.0	-55.64	301.65	3.84	-51.80
CC1OCCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615466	0	38	-1.0	-50.90	297.74	2.60	-48.30
CC1OCCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615466	1	38	-1.0	-50.87	297.80	2.61	-48.26
C#CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615467	0	32	-1.0	-55.51	276.92	4.02	-51.49
C#CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615467	1	32	-1.0	-55.52	276.99	4.02	-51.50
CC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615468	0	34	-1.0	-51.30	278.88	4.19	-47.11
CC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615468	1	34	-1.0	-51.31	278.94	4.22	-47.09
CCC(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615470	0	36	-1.0	-51.87	284.60	3.97	-47.90
CCC(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615470	1	36	-1.0	-51.87	284.67	3.97	-47.90
CCC(C(=O)OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615471	0	36	-1.0	-54.41	299.56	3.19	-51.22
CCC(C(=O)OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615471	1	36	-1.0	-54.43	299.63	3.20	-51.23
O=C(CCN1C=CN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615472	0	33	-1.0	-49.71	284.42	1.68	-48.03
O=C(CCN1C=CN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615472	1	33	-1.0	-49.73	284.36	1.67	-48.06
O=C(CC1OCCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615473	0	36	-1.0	-52.77	293.61	2.23	-50.54
O=C(CC1OCCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615473	1	36	-1.0	-52.76	293.67	2.24	-50.52
O=C(CC1OCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615474	0	33	-1.0	-54.14	275.29	1.27	-52.87
O=C(CC1OCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615474	1	33	-1.0	-54.14	275.36	1.27	-52.87
C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615475	0	31	-1.0	-53.17	259.20	3.35	-49.82
C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615475	1	31	-1.0	-53.19	259.27	3.35	-49.84
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL250004615476	0	31	-1.0	-54.88	264.98	2.81	-52.07
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL250004615476	1	31	-1.0	-54.87	265.06	2.82	-52.05
O=C(C=CC1=CC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615477	0	33	-1.0	-56.03	282.16	3.33	-52.70
O=C(C=CC1=CC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615477	1	33	-1.0	-56.02	282.23	3.34	-52.68
O=C(CCC1=CNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615478	0	34	-1.0	-55.37	288.86	3.28	-52.09
O=C(CCC1=CNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615478	1	34	-1.0	-55.39	288.93	3.28	-52.11
O=C(CCC1=CN=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615478	1	34	-1.0	-52.78	288.93	3.26	-49.52
O=C(C=CC1=CNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615479	0	32	-1.0	-56.12	278.90	3.16	-52.96
O=C(C=CC1=CNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615479	1	32	-1.0	-56.14	278.97	3.17	-52.97
CC(=O)N1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615480	0	35	-1.0	-57.83	295.83	1.68	-56.15
CC(=O)N1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615480	1	35	-1.0	-57.86	295.90	1.68	-56.18
O=C(NCC1CC1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615481	0	35	-1.0	-42.13	295.65	1.01	-41.12
O=C(NCC1CC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615481	1	35	-1.0	-42.15	295.72	1.02	-41.13
O=C(C1=CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615482	0	35	-1.0	-53.40	278.91	4.11	-49.29
O=C(C1=CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615482	1	35	-1.0	-53.39	279.00	4.11	-49.28
CC(C)C1(C)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615483	0	40	-1.0	-52.06	306.31	4.98	-47.08
CC(C)C1(C)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615483	1	40	-1.0	-52.06	306.38	4.98	-47.08
O=C(CC1=COC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615484	0	31	-1.0	-53.20	268.89	2.89	-50.31
O=C(CC1=COC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615484	1	31	-1.0	-53.19	268.96	2.88	-50.31
O=C(CC1=CN=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615485	0	30	-1.0	-53.27	272.98	2.18	-51.09
O=C(CC1=CN=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615485	1	30	-1.0	-53.30	272.91	2.20	-51.10
CC1=NNN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615486	0	30	-1.0	-46.74	256.72	0.14	-46.60
CC1=NNN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615486	1	30	-1.0	-46.73	256.79	0.16	-46.57
CC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CO1	REAL250004615487	0	35	-1.0	-54.74	275.77	1.79	-52.95
CC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CO1	REAL250004615487	1	35	-1.0	-54.72	275.84	1.79	-52.93
CC(C)C(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615488	0	33	-1.0	-50.19	269.23	3.29	-46.90
CC(C)C(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615488	1	33	-1.0	-50.20	269.30	3.29	-46.91
CC1OC(=O)NC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615489	0	33	-1.0	-60.45	274.57	-0.58	-61.03
CC1OC(=O)NC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615489	1	33	-1.0	-60.46	274.65	-0.57	-61.03
CCN1N=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615490	0	34	-1.0	-49.44	283.36	2.56	-46.88
CCN1N=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615490	1	34	-1.0	-49.44	283.30	2.54	-46.90
O=C(C1=CCCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615491	0	38	-1.0	-54.09	285.19	4.45	-49.64
O=C(C1=CCCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615491	1	38	-1.0	-54.10	285.26	4.47	-49.63
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N(C)C=C1	REAL250004615492	0	35	-1.0	-52.34	295.77	4.42	-47.92
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N(C)C=C1	REAL250004615492	1	35	-1.0	-52.38	295.72	4.42	-47.96
CN1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL250004615493	0	35	-1.0	-49.08	288.85	1.74	-47.34
CN1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL250004615493	1	35	-1.0	-49.12	288.91	1.75	-47.37
CC1(C)CCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615494	0	40	-1.0	-52.87	297.94	4.80	-48.07
CC1(C)CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615494	1	40	-1.0	-52.88	298.00	4.81	-48.07
CN1C=NC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615495	0	34	-1.0	-58.48	288.69	4.03	-54.45
CN1C=NC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615495	1	34	-1.0	-58.49	288.77	4.02	-54.47
CC(C)(O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615496	0	37	-1.0	-50.19	298.02	0.73	-49.46
CC(C)(O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615496	1	37	-1.0	-50.22	298.09	0.73	-49.49
O=C(N1CCSCC1C1=N[N-]N=N1)C1(F)CCCC1	REAL250004615497	0	34	-1.0	-49.17	271.72	3.62	-45.55
O=C(N1CCSCC1C1=NN=N[N-]1)C1(F)CCCC1	REAL250004615497	1	34	-1.0	-49.20	271.79	3.63	-45.57
C[C@H]1C[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615498	0	31	-1.0	-53.24	259.17	3.34	-49.90
C[C@H]1C[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615498	1	31	-1.0	-53.18	259.25	3.36	-49.82
O=C(C1=CC=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615499	0	29	-1.0	-48.58	253.60	2.81	-45.77
O=C(C1=CC=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615499	1	29	-1.0	-48.60	253.52	2.80	-45.80
O=C(CC1C=CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615500	0	38	-1.0	-53.99	300.23	5.09	-48.90
O=C(CC1C=CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615500	1	38	-1.0	-54.04	300.30	5.10	-48.94
CC1CCCC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615501	0	40	-1.0	-53.25	311.77	5.19	-48.06
CC1CCCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615501	1	40	-1.0	-53.27	311.83	5.19	-48.08
CN1C(=O)CCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615502	0	35	-1.0	-60.32	288.73	2.09	-58.23
CN1C(=O)CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615502	1	35	-1.0	-60.29	288.80	2.09	-58.20
CC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL250004615503	0	30	-1.0	-49.62	261.11	0.52	-49.10
CC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL250004615503	1	30	-1.0	-49.64	261.18	0.53	-49.11
C[C@H](NC(N)=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615504	0	33	-1.0	-47.21	278.66	-2.55	-49.76
C[C@H](NC(N)=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615504	1	33	-1.0	-47.20	278.74	-2.53	-49.73
O=C(C1CCC(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615505	0	34	-1.0	-51.37	276.87	3.83	-47.54
O=C(C1CCC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615505	1	34	-1.0	-51.37	276.94	3.83	-47.54
O=C([C@H]1CCCC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615506	0	35	-1.0	-59.25	282.89	0.55	-58.70
O=C([C@H]1CCCC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615506	1	35	-1.0	-59.26	282.96	0.56	-58.70
CC1CC(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615507	0	38	-1.0	-58.12	297.50	3.41	-54.71
CC1CC(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615507	1	38	-1.0	-58.18	297.56	3.42	-54.76
O=C(C1=CC=C(F)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615508	0	30	-1.0	-48.52	264.89	3.07	-45.45
O=C(C1=CC=C(F)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615508	1	30	-1.0	-48.57	264.83	3.06	-45.51
O=C([C@H]1C[C@@H]1C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615509	0	31	-1.0	-57.80	272.71	3.62	-54.18
O=C([C@H]1C[C@@H]1C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615509	1	31	-1.0	-57.80	272.78	3.62	-54.18
CCCCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615510	0	39	-1.0	-52.36	305.99	4.82	-47.54
CCCCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615510	1	39	-1.0	-52.37	306.04	4.83	-47.54
CC(CC(N)=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615511	0	34	-1.0	-48.07	278.53	-0.58	-48.65
CC(CC(N)=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615511	1	34	-1.0	-48.08	278.60	-0.57	-48.65
CN1N=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615512	0	30	-1.0	-45.96	254.22	0.21	-45.75
CN1N=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615512	1	30	-1.0	-45.93	254.14	0.20	-45.73
O=C(C1CCCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615513	0	38	-1.0	-52.27	283.74	2.66	-49.61
O=C(C1CCCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615513	1	38	-1.0	-52.25	283.81	2.65	-49.60
COC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615514	0	37	-1.0	-53.70	289.67	3.18	-50.52
COC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615514	1	37	-1.0	-53.77	289.73	3.17	-50.60
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)NC=N1	REAL250004615515	0	34	-1.0	-57.38	288.53	2.99	-54.39
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)NC=N1	REAL250004615515	1	34	-1.0	-57.39	288.60	2.98	-54.41
O=C(C1=NC=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615516	0	27	-1.0	-55.97	247.17	1.09	-54.88
O=C(C1=NC=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615516	1	27	-1.0	-55.99	247.10	1.07	-54.92
CC(C)(C#N)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615517	0	34	-1.0	-44.83	280.63	3.45	-41.38
CC(C)(C#N)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615517	1	34	-1.0	-44.88	280.69	3.45	-41.43
CC1(C)CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615518	0	38	-1.0	-58.95	301.43	3.53	-55.42
CC1(C)CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615518	1	38	-1.0	-58.86	301.50	3.53	-55.33
CCN1C=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615519	0	34	-1.0	-49.32	283.74	4.14	-45.18
CCN1C=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615519	1	34	-1.0	-49.28	283.67	4.13	-45.15
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC=C1	REAL250004615520	0	32	-1.0	-54.82	267.31	2.92	-51.90
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC=C1	REAL250004615520	1	32	-1.0	-54.80	267.23	2.92	-51.88
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CO1	REAL250004615521	0	34	-1.0	-51.97	284.83	3.58	-48.39
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CO1	REAL250004615521	1	34	-1.0	-52.02	284.89	3.58	-48.44
O=C(C1=CC=CN=C1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615522	0	30	-1.0	-61.35	260.22	2.02	-59.33
O=C(C1=CC=CN=C1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615522	1	30	-1.0	-61.32	260.15	2.01	-59.31
O=C(C1=CN=CC(O)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615523	0	31	-1.0	-52.05	266.02	-0.90	-52.95
O=C(C1=CN=CC(O)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615523	1	31	-1.0	-52.08	266.09	-0.89	-52.97
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=N1	REAL250004615524	0	33	-1.0	-51.71	276.59	2.70	-49.01
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=N1	REAL250004615524	1	33	-1.0	-51.72	276.66	2.70	-49.02
O=C(CCC1=NC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615525	0	34	-1.0	-52.02	288.94	2.42	-49.60
O=C(CCC1=NC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615525	1	34	-1.0	-51.99	289.01	2.43	-49.56
O=C(C1CCC(O)CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615526	0	38	-1.0	-52.83	299.12	0.96	-51.87
O=C(C1CCC(O)CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615526	1	38	-1.0	-52.86	299.20	0.97	-51.89
O=C(C1=CN=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615527	0	27	-1.0	-52.69	247.21	1.05	-51.64
O=C(C1=CN=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615527	1	27	-1.0	-52.61	247.14	1.04	-51.57
O=C(CC1CCCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615528	0	38	-1.0	-56.49	299.05	2.84	-53.65
O=C(CC1CCCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615528	1	38	-1.0	-56.50	299.12	2.84	-53.66
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CN1C	REAL250004615529	0	35	-1.0	-55.88	284.01	4.00	-51.88
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CN1C	REAL250004615529	1	35	-1.0	-55.87	283.94	4.00	-51.87
C=CC(C)(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615530	0	35	-1.0	-47.23	282.52	1.94	-45.29
C=CC(C)(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615530	1	35	-1.0	-47.23	282.57	1.95	-45.28
CC1COCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615531	0	38	-1.0	-52.19	290.18	2.43	-49.76
CC1COCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615531	1	38	-1.0	-52.18	290.25	2.42	-49.76
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NS1	REAL250004615532	0	30	-1.0	-50.73	269.05	2.83	-47.90
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NS1	REAL250004615532	1	30	-1.0	-50.77	269.12	2.84	-47.93
CC1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615533	0	32	-1.0	-58.52	276.95	2.43	-56.09
CC1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615533	1	32	-1.0	-58.56	276.92	2.45	-56.11
CC(C)(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615534	0	34	-1.0	-55.50	275.13	0.88	-54.62
CC(C)(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615534	1	34	-1.0	-55.48	275.19	0.88	-54.60
O=C(CCC(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615535	0	30	-1.0	-52.94	262.30	2.99	-49.95
O=C(CCC(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615535	1	30	-1.0	-52.95	262.37	2.99	-49.96
CC=C(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615536	0	34	-1.0	-53.03	279.10	3.80	-49.23
CC=C(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615536	1	34	-1.0	-52.96	279.16	3.81	-49.15
CN1C=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615537	0	31	-1.0	-50.62	260.44	2.96	-47.66
CN1C=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615537	1	31	-1.0	-50.61	260.51	2.95	-47.66
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615538	0	35	-1.0	-57.14	284.84	3.33	-53.81
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615538	1	35	-1.0	-57.15	284.90	3.34	-53.81
CCC(C)C(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615539	0	40	-1.0	-54.57	309.99	3.69	-50.88
CCC(C)C(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615539	1	40	-1.0	-54.55	310.06	3.70	-50.85
O=C(C[C@H]1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615540	0	35	-1.0	-55.04	282.62	2.07	-52.97
O=C(C[C@H]1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615540	1	35	-1.0	-55.07	282.69	2.07	-53.00
O=C(C1=C(Cl)OC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615541	0	28	-1.0	-53.78	258.99	2.53	-51.25
O=C(C1=C(Cl)OC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615541	1	28	-1.0	-53.75	259.06	2.53	-51.22
CC(C)[C@H](O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615543	0	34	-1.0	-50.84	271.81	0.97	-49.87
CC(C)[C@H](O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615543	1	34	-1.0	-50.85	271.89	0.98	-49.87
CCC(C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615544	0	39	-1.0	-52.50	306.93	4.67	-47.83
CCC(C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615544	1	39	-1.0	-52.49	307.01	4.67	-47.82
CC1=NOC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615545	0	33	-1.0	-56.46	285.08	3.12	-53.34
CC1=NOC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615545	1	33	-1.0	-56.47	285.15	3.12	-53.35
O=C(C(O)C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615546	0	32	-1.0	-50.66	259.81	1.08	-49.58
O=C(C(O)C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615546	1	32	-1.0	-50.67	259.88	1.08	-49.59
CCC1OCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615547	0	38	-1.0	-54.45	296.66	2.58	-51.87
CCC1OCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615547	1	38	-1.0	-54.50	296.73	2.58	-51.92
CC(C)[C@@H](O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615548	0	34	-1.0	-50.61	271.47	1.05	-49.56
CC(C)[C@@H](O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615548	1	34	-1.0	-50.63	271.54	1.06	-49.57
CC1(C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615549	0	37	-1.0	-52.11	286.01	4.27	-47.84
CC1(C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615549	1	37	-1.0	-52.11	286.07	4.28	-47.83
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CS1	REAL250004615550	0	31	-1.0	-53.61	272.80	3.67	-49.94
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CS1	REAL250004615550	1	31	-1.0	-53.60	272.86	3.66	-49.94
CC1=COC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1C	REAL250004615551	0	34	-1.0	-51.41	284.22	3.55	-47.86
CC1=COC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1C	REAL250004615551	1	34	-1.0	-51.41	284.29	3.56	-47.85
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CN1	REAL250004615552	0	35	-1.0	-55.79	288.19	3.14	-52.65
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CN1	REAL250004615552	1	35	-1.0	-55.78	288.11	3.14	-52.64
O=C(COC(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615553	0	28	-1.0	-52.66	252.46	1.54	-51.12
O=C(COC(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615553	1	28	-1.0	-52.68	252.53	1.54	-51.14
CN1N=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615554	0	30	-1.0	-49.83	260.61	0.86	-48.97
CN1N=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615554	1	30	-1.0	-49.86	260.55	0.85	-49.01
O=C(C1COC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615555	0	30	-1.0	-59.84	259.29	-1.58	-61.42
O=C(C1COC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615555	1	30	-1.0	-59.87	259.36	-1.57	-61.44
CC1=COC(C)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615556	0	34	-1.0	-52.64	290.73	3.56	-49.08
CC1=COC(C)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615556	1	34	-1.0	-52.65	290.80	3.57	-49.08
CON=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615557	0	28	-1.0	-52.96	249.62	0.45	-52.51
CON=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615557	1	28	-1.0	-52.95	249.69	0.46	-52.49
CC1=NC=CN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615558	0	34	-1.0	-57.57	289.71	3.75	-53.82
CC1=NC=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615558	1	34	-1.0	-57.58	289.78	3.75	-53.83
O=C(C1=NC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615559	0	28	-1.0	-49.18	243.68	1.48	-47.70
O=C(C1=NC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615559	1	28	-1.0	-49.14	243.61	1.48	-47.66
CC(C)C#CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615561	0	32	-1.0	-52.49	278.20	3.99	-48.50
CC(C)C#CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615561	1	32	-1.0	-52.48	278.27	3.98	-48.50
O=C(CCC1=NNN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615562	0	33	-1.0	-50.42	283.35	0.80	-49.62
O=C(CCC1=NNN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615562	1	33	-1.0	-50.42	283.42	0.80	-49.62
CC1=CNN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615563	0	31	-1.0	-54.19	261.87	1.64	-52.55
CC1=CNN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615563	1	31	-1.0	-54.20	261.94	1.63	-52.57
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CS1	REAL250004615564	0	31	-1.0	-52.22	267.96	3.54	-48.68
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CS1	REAL250004615564	1	31	-1.0	-52.21	268.02	3.54	-48.67
O=C(CC1(O)CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615565	0	35	-1.0	-50.92	282.82	1.92	-49.00
O=C(CC1(O)CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615565	1	35	-1.0	-50.92	282.90	1.92	-49.00
O=C(CC1CCC2CC21)N1CCSCC1C1=N[N-]N=N1	REAL250004615566	0	38	-1.0	-53.23	301.76	5.29	-47.94
O=C(CC1CCC2CC21)N1CCSCC1C1=NN=N[N-]1	REAL250004615566	1	38	-1.0	-53.24	301.83	5.30	-47.94
CC[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615567	0	34	-1.0	-53.36	280.86	4.12	-49.24
CC[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615567	1	34	-1.0	-53.36	280.93	4.13	-49.23
O=C(C1CC1(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615568	0	28	-1.0	-51.62	251.00	2.83	-48.79
O=C(C1CC1(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615568	1	28	-1.0	-51.63	251.07	2.82	-48.81
O=C(CSC(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615569	0	28	-1.0	-50.98	264.36	2.83	-48.15
O=C(CSC(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615569	1	28	-1.0	-51.00	264.42	2.82	-48.18
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C1CCC1	REAL250004615570	0	35	-1.0	-55.20	280.66	4.25	-50.95
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C1CCC1	REAL250004615570	1	35	-1.0	-55.24	280.70	4.26	-50.98
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615571	0	40	-1.0	-53.45	321.53	5.43	-48.02
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615571	1	40	-1.0	-53.43	321.60	5.42	-48.01
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615572	0	36	-1.0	-56.62	291.42	2.37	-54.25
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615572	1	36	-1.0	-56.59	291.47	2.36	-54.23
CC(C)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615573	0	39	-1.0	-52.59	310.21	4.79	-47.80
CC(C)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615573	1	39	-1.0	-52.58	310.28	4.79	-47.79
CC1=CN=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615574	0	33	-1.0	-49.84	273.75	2.93	-46.91
CC1=CN=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615574	1	33	-1.0	-49.80	273.70	2.92	-46.88
O=C(C1=NSC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615575	0	27	-1.0	-50.52	246.88	2.08	-48.44
O=C(C1=NSC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615575	1	27	-1.0	-50.54	246.81	2.07	-48.47
CCC1CCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615576	0	40	-1.0	-54.50	306.75	4.88	-49.62
CCC1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615576	1	40	-1.0	-54.45	306.82	4.88	-49.57
C#CCOC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615577	0	33	-1.0	-59.14	280.77	3.24	-55.90
C#CCOC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615577	1	33	-1.0	-59.13	280.83	3.25	-55.88
CCC(C)=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615578	0	34	-1.0	-50.98	277.68	4.06	-46.92
CCC(C)=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615578	1	34	-1.0	-50.99	277.75	4.08	-46.91
O=C(C=CC1CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615579	0	36	-1.0	-57.08	296.78	2.58	-54.50
O=C(C=CC1CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615579	1	36	-1.0	-57.10	296.85	2.59	-54.51
O=C(C=CC1=CNN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615580	0	32	-1.0	-54.78	277.88	1.97	-52.81
O=C(C=CC1=CNN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615580	1	32	-1.0	-54.82	277.81	1.97	-52.85
O=C(C1=CC(=O)NN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615581	0	30	-1.0	-51.89	259.68	-0.71	-52.60
O=C(C1=CC(=O)NN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615581	1	30	-1.0	-51.91	259.74	-0.70	-52.61
CC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615582	0	32	-1.0	-63.59	270.15	2.31	-61.28
CC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615582	1	32	-1.0	-63.60	270.22	2.31	-61.29
O=C([C@@H]1CNC(=O)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615583	0	30	-1.0	-66.02	255.79	-1.43	-67.45
O=C([C@@H]1CNC(=O)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615583	1	30	-1.0	-66.08	255.85	-1.40	-67.48
CC1=NN=C(C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL250004615584	0	29	-1.0	-46.82	265.85	1.26	-45.56
CC1=NN=C(C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL250004615584	1	29	-1.0	-46.84	265.92	1.26	-45.58
O=C(CSC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615585	0	32	-1.0	-54.17	283.26	4.12	-50.05
O=C(CSC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615585	1	32	-1.0	-54.22	283.33	4.12	-50.10
O=C([C@H]1C[C@@H]1C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615586	0	35	-1.0	-53.93	291.99	4.91	-49.02
O=C([C@H]1C[C@@H]1C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615586	1	35	-1.0	-53.92	292.06	4.92	-49.00
CC1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL250004615587	0	34	-1.0	-60.76	290.29	2.88	-57.88
CC1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL250004615587	1	34	-1.0	-60.74	290.36	2.88	-57.86
CNC(=O)NCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615588	0	36	-1.0	-65.28	303.80	-1.08	-66.36
CNC(=O)NCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615588	1	36	-1.0	-65.29	303.87	-1.09	-66.38
CCN1N=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615589	0	33	-1.0	-49.60	282.42	1.70	-47.90
CCN1N=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615589	1	33	-1.0	-49.56	282.36	1.68	-47.88
CCC1CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615590	0	34	-1.0	-53.41	280.73	4.10	-49.31
CCC1CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615590	1	34	-1.0	-53.45	280.80	4.10	-49.35
O=C(CC1=NC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615591	0	31	-1.0	-61.06	266.74	1.68	-59.38
O=C(CC1=NC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615591	1	31	-1.0	-61.05	266.81	1.67	-59.38
C=CC(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615592	0	29	-1.0	-50.77	242.65	0.08	-50.69
C=CC(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615592	1	29	-1.0	-50.77	242.72	0.08	-50.69
O=C(CCC1=NOC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615593	0	33	-1.0	-52.59	284.53	3.03	-49.56
O=C(CCC1=NOC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615593	1	33	-1.0	-52.63	284.59	3.03	-49.60
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)(F)F	REAL250004615594	0	33	-1.0	-59.34	275.31	3.47	-55.87
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)(F)F	REAL250004615594	1	33	-1.0	-59.34	275.37	3.48	-55.86
CCN1N=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615595	0	33	-1.0	-45.80	276.46	1.09	-44.71
CCN1N=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615595	1	33	-1.0	-45.76	276.39	1.08	-44.68
N#CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615596	0	31	-1.0	-61.11	270.50	3.24	-57.87
N#CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615596	1	31	-1.0	-61.12	270.56	3.23	-57.89
CC1=NC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615597	0	34	-1.0	-53.33	284.09	2.44	-50.89
CC1=NC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615597	1	34	-1.0	-53.31	284.16	2.44	-50.87
CC(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615598	0	27	-1.0	-43.20	237.57	2.02	-41.18
CC(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615598	1	27	-1.0	-43.20	237.64	2.02	-41.18
N#CC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615599	0	32	-1.0	-66.14	276.12	3.57	-62.57
N#CC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615599	1	32	-1.0	-66.13	276.19	3.57	-62.56
CC1=CSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615600	0	31	-1.0	-52.36	275.00	3.66	-48.70
CC1=CSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615600	1	31	-1.0	-52.71	273.74	3.53	-49.18
CCCC(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615601	0	37	-1.0	-54.49	299.37	3.27	-51.22
CCCC(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615601	1	37	-1.0	-54.53	299.44	3.29	-51.24
O=C(C1=C(F)C=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615602	0	28	-1.0	-57.83	259.90	3.04	-54.79
O=C(C1=C(F)C=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615602	1	28	-1.0	-57.80	260.01	3.05	-54.75
COCC(C)C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615603	0	40	-1.0	-55.08	310.56	2.58	-52.50
COCC(C)C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615603	1	40	-1.0	-55.09	310.63	2.58	-52.51
CCC[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615604	0	37	-1.0	-53.24	302.56	4.88	-48.36
CCC[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615604	1	37	-1.0	-53.24	302.63	4.89	-48.35
CC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)O1	REAL250004615605	0	33	-1.0	-48.39	278.77	1.50	-46.89
CC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)O1	REAL250004615605	1	33	-1.0	-48.41	278.83	1.51	-46.90
CCC(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615606	0	34	-1.0	-56.64	280.32	0.97	-55.67
CCC(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615606	1	34	-1.0	-56.65	280.38	0.97	-55.68
O=C(CCCC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615607	0	37	-1.0	-52.89	302.76	5.07	-47.82
O=C(CCCC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615607	1	37	-1.0	-52.88	302.82	5.06	-47.82
CC(C)(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615608	0	40	-1.0	-49.87	305.04	5.09	-44.78
CC(C)(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615608	1	40	-1.0	-49.83	305.11	5.08	-44.75
CN1N=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615609	0	29	-1.0	-50.51	255.44	0.37	-50.14
CN1N=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615609	1	29	-1.0	-50.54	255.39	0.35	-50.19
O=C(C1=NOC(CO)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615610	0	31	-1.0	-50.56	272.06	-0.57	-51.13
O=C(C1=NOC(CO)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615610	1	31	-1.0	-50.53	272.12	-0.55	-51.08
O=C(N1CCSCC1C1=N[N-]N=N1)C1(F)CCCCC1	REAL250004615611	0	37	-1.0	-48.23	288.20	4.20	-44.03
O=C(N1CCSCC1C1=NN=N[N-]1)C1(F)CCCCC1	REAL250004615611	1	37	-1.0	-48.21	288.28	4.22	-43.99
O=C(C1CCCSC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615612	0	35	-1.0	-49.15	288.70	4.06	-45.09
O=C(C1CCCSC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615612	1	35	-1.0	-49.13	288.76	4.06	-45.07
CC1CC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615613	0	34	-1.0	-53.20	280.46	4.17	-49.03
CC1CC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615613	1	34	-1.0	-53.20	280.53	4.17	-49.03
CN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615614	0	30	-1.0	-47.82	261.04	0.99	-46.83
CN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615614	1	30	-1.0	-47.84	260.98	0.97	-46.87
O=C(N1CCSCC1C1=N[N-]N=N1)C1(F)CCOC1	REAL250004615615	0	32	-1.0	-45.75	263.36	1.10	-44.65
O=C(N1CCSCC1C1=NN=N[N-]1)C1(F)CCOC1	REAL250004615615	1	32	-1.0	-45.73	263.43	1.09	-44.64
O=C(N1CCSCC1C1=N[N-]N=N1)C1(CCF)CC1	REAL250004615616	0	34	-1.0	-51.67	283.26	3.87	-47.80
O=C(N1CCSCC1C1=NN=N[N-]1)C1(CCF)CC1	REAL250004615616	1	34	-1.0	-51.69	283.32	3.88	-47.81
O=C(CN1C=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615617	0	31	-1.0	-57.03	269.00	3.94	-53.09
O=C(CN1C=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615617	1	31	-1.0	-57.05	269.07	3.94	-53.11
CC1=NN=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615618	0	32	-1.0	-61.28	280.26	-2.13	-63.41
CC1=NN=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615618	1	32	-1.0	-61.31	280.33	-2.14	-63.45
CC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CCCC1	REAL250004615619	0	40	-1.0	-51.49	305.84	5.04	-46.45
CC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CCCC1	REAL250004615619	1	40	-1.0	-51.48	305.92	5.05	-46.43
N#CCCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615620	0	37	-1.0	-60.08	313.49	4.80	-55.28
N#CCCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615620	1	37	-1.0	-60.10	313.56	4.80	-55.30
CCOC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615621	0	38	-1.0	-50.35	309.71	3.15	-47.20
CCOC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615621	1	38	-1.0	-50.36	309.78	3.15	-47.21
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC(=O)N1	REAL250004615622	0	32	-1.0	-46.97	271.19	-0.10	-47.07
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC(=O)N1	REAL250004615622	1	32	-1.0	-46.98	271.24	-0.08	-47.06
CC1=NN=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615623	0	33	-1.0	-66.47	283.39	2.20	-64.27
CC1=NN=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615623	1	33	-1.0	-66.51	283.45	2.20	-64.31
O=C(C1CCNC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615624	0	32	-1.0	-54.53	264.50	-0.55	-55.08
O=C(C1CCNC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615624	1	32	-1.0	-54.55	264.55	-0.55	-55.10
O=C(C=CC1=NC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615626	0	32	-1.0	-52.38	279.45	2.35	-50.03
O=C(C=CC1=NC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615626	1	32	-1.0	-52.37	279.51	2.36	-50.01
CC1CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615627	0	38	-1.0	-53.15	299.25	4.73	-48.42
CC1CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615627	1	38	-1.0	-53.14	299.31	4.73	-48.41
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCSCC1C1=N[N-]N=N1	REAL250004615628	0	36	-1.0	-59.34	281.68	2.15	-57.19
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCSCC1C1=NN=N[N-]1	REAL250004615628	1	36	-1.0	-59.31	281.76	2.16	-57.15
CC(C)CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615629	0	42	-1.0	-52.51	331.70	5.57	-46.94
CC(C)CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615629	1	42	-1.0	-52.52	331.77	5.57	-46.95
O=C(C1CCOC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615630	0	33	-1.0	-60.55	276.33	-0.47	-61.02
O=C(C1CCOC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615630	1	33	-1.0	-60.56	276.40	-0.47	-61.03
O=C(CCC1=CNN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615631	0	34	-1.0	-52.93	289.47	2.21	-50.72
O=C(CCC1=CNN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615631	1	34	-1.0	-52.93	289.40	2.22	-50.71
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCC1	REAL250004615632	0	37	-1.0	-53.21	291.56	4.58	-48.63
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCC1	REAL250004615632	1	37	-1.0	-53.20	291.62	4.59	-48.61
CCC(C)(C)OCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615633	0	40	-1.0	-56.86	313.83	3.94	-52.92
CCC(C)(C)OCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615633	1	40	-1.0	-56.86	313.90	3.94	-52.92
O=C(C#CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615634	0	30	-1.0	-52.83	267.92	4.16	-48.67
O=C(C#CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615634	1	30	-1.0	-52.85	267.99	4.16	-48.69
CC(C)(C)C#CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615635	0	35	-1.0	-52.75	298.34	4.51	-48.24
CC(C)(C)C#CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615635	1	35	-1.0	-52.73	298.41	4.51	-48.22
CC1=NON=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615636	0	32	-1.0	-59.93	280.36	1.46	-58.47
CC1=NON=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615636	1	32	-1.0	-59.93	280.43	1.46	-58.47
CC1=CN(C)N=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615637	0	34	-1.0	-55.02	284.02	3.18	-51.84
CC1=CN(C)N=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615637	1	34	-1.0	-55.06	283.96	3.17	-51.89
O=C(C(O)C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615638	0	35	-1.0	-50.63	278.85	1.87	-48.76
O=C(C(O)C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615638	1	35	-1.0	-50.63	278.92	1.89	-48.74
CCC(CC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615639	0	42	-1.0	-51.58	319.21	5.07	-46.51
CCC(CC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615639	1	42	-1.0	-51.57	319.28	5.09	-46.48
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N(C)N=C1	REAL250004615640	0	34	-1.0	-48.91	290.53	2.72	-46.19
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N(C)N=C1	REAL250004615640	1	34	-1.0	-48.89	290.47	2.71	-46.18
COCC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615641	0	40	-1.0	-52.67	312.94	3.04	-49.63
COCC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615641	1	40	-1.0	-52.70	313.01	3.04	-49.66
O=C(C1CCC(F)CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615642	0	37	-1.0	-58.68	293.37	4.36	-54.32
O=C(C1CCC(F)CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615642	1	37	-1.0	-58.67	293.43	4.37	-54.30
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSCC1C1=N[N-]N=N1	REAL250004615643	0	30	-1.0	-50.46	266.90	3.02	-47.44
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSCC1C1=NN=N[N-]1	REAL250004615643	1	30	-1.0	-50.45	266.97	3.02	-47.43
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615644	0	32	-1.0	-48.72	274.11	2.35	-46.37
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615644	1	32	-1.0	-48.72	274.16	2.36	-46.36
COC(CC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615645	0	40	-1.0	-54.12	299.91	3.45	-50.67
COC(CC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615645	1	40	-1.0	-54.12	299.97	3.46	-50.66
O=C(C1CCC2CC2C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615646	0	38	-1.0	-52.56	296.61	4.99	-47.57
O=C(C1CCC2CC2C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615646	1	38	-1.0	-52.55	296.68	5.00	-47.55
O=C(C1CC12CC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615647	0	32	-1.0	-53.14	270.54	4.15	-48.99
O=C(C1CC12CC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615647	1	32	-1.0	-53.15	270.61	4.16	-48.99
C=CC(=O)N(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615648	0	35	-1.0	-56.70	297.34	2.48	-54.22
C=CC(=O)N(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615648	1	35	-1.0	-56.71	297.41	2.47	-54.24
O=C(CC1=NN=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615649	0	30	-1.0	-67.18	261.38	2.34	-64.84
O=C(CC1=NN=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615649	1	30	-1.0	-67.26	261.45	2.36	-64.90
O=C(C(F)=C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615650	0	32	-1.0	-47.87	272.44	3.93	-43.94
O=C(C(F)=C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615650	1	32	-1.0	-47.84	272.50	3.94	-43.90
CC1CCCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615651	0	40	-1.0	-50.88	292.44	4.79	-46.09
CC1CCCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615651	1	40	-1.0	-50.87	292.49	4.80	-46.07
NC1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL250004615652	0	32	-1.0	-63.12	278.64	3.31	-59.81
NC1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL250004615652	1	32	-1.0	-63.10	278.57	3.31	-59.79
O=C(C1CCCC(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615653	0	37	-1.0	-53.96	294.98	4.42	-49.54
O=C(C1CCCC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615653	1	37	-1.0	-53.95	295.05	4.41	-49.54
CN1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)NC1=O	REAL250004615654	0	34	-1.0	-61.27	284.67	-0.46	-61.73
CN1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)NC1=O	REAL250004615654	1	34	-1.0	-61.27	284.73	-0.45	-61.72
O=C(C1CC2(CCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615655	0	38	-1.0	-53.37	303.26	5.04	-48.33
O=C(C1CC2(CCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615655	1	38	-1.0	-53.39	303.33	5.04	-48.35
CCN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615656	0	34	-1.0	-55.54	287.71	3.15	-52.39
CCN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615656	1	34	-1.0	-55.50	287.65	3.16	-52.34
O=C(N1CCSCC1C1=N[N-]N=N1)C1(F)CC1	REAL250004615657	0	28	-1.0	-47.58	244.44	2.80	-44.78
O=C(N1CCSCC1C1=NN=N[N-]1)C1(F)CC1	REAL250004615657	1	28	-1.0	-47.57	244.51	2.80	-44.77
O=C(C=CC1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615658	0	38	-1.0	-53.02	306.64	5.20	-47.82
O=C(C=CC1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615658	1	38	-1.0	-53.08	306.71	5.21	-47.87
O=C(C1CCC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615659	0	33	-1.0	-53.56	271.78	2.76	-50.80
O=C(C1CCC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615659	1	33	-1.0	-53.61	271.86	2.77	-50.84
COCC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615661	0	38	-1.0	-49.79	311.50	3.24	-46.55
COCC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615661	1	38	-1.0	-49.80	311.56	3.26	-46.54
CN1C=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615662	0	34	-1.0	-60.06	290.23	2.71	-57.35
CN1C=CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615662	1	34	-1.0	-60.07	290.30	2.70	-57.37
CC1=NOC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615663	0	30	-1.0	-51.58	258.58	2.08	-49.50
CC1=NOC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615663	1	30	-1.0	-51.62	258.66	2.08	-49.54
O=C(C1CCCNC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615664	0	35	-1.0	-55.44	283.20	0.43	-55.01
O=C(C1CCCNC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615664	1	35	-1.0	-55.42	283.27	0.43	-54.99
CN1C(=O)NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615665	0	32	-1.0	-54.84	271.28	0.52	-54.32
CN1C(=O)NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615665	1	32	-1.0	-54.84	271.35	0.53	-54.31
CC=C(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615666	0	28	-1.0	-46.68	245.62	2.54	-44.14
CC=C(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615666	1	28	-1.0	-46.68	245.69	2.54	-44.14
CCC=C(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615667	0	31	-1.0	-46.46	265.92	3.27	-43.19
CCC=C(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615667	1	31	-1.0	-46.48	265.99	3.28	-43.20
O=C(CC1CSC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615668	0	32	-1.0	-54.78	275.84	3.64	-51.14
O=C(CC1CSC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615668	1	32	-1.0	-54.76	275.91	3.63	-51.13
COC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615669	0	32	-1.0	-49.19	277.70	2.50	-46.69
COC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615669	1	32	-1.0	-49.17	277.77	2.51	-46.66
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC=N1	REAL250004615671	0	31	-1.0	-53.98	261.12	2.59	-51.39
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC=N1	REAL250004615671	1	31	-1.0	-53.98	261.19	2.60	-51.38
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC=N1	REAL250004615672	0	34	-1.0	-53.63	283.23	3.32	-50.31
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC=N1	REAL250004615672	1	34	-1.0	-53.66	283.29	3.33	-50.33
COC(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615673	0	32	-1.0	-53.88	262.08	1.10	-52.78
COC(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615673	1	32	-1.0	-53.88	262.14	1.11	-52.77
N#CCCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615674	0	34	-1.0	-52.88	291.99	4.02	-48.86
N#CCCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615674	1	34	-1.0	-52.82	292.06	4.02	-48.80
O=C(C1=COC(CO)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615675	0	32	-1.0	-56.49	276.23	-0.54	-57.03
O=C(C1=COC(CO)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615675	1	32	-1.0	-56.46	276.30	-0.52	-56.98
O=C(C1CSC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615676	0	29	-1.0	-56.78	250.49	2.70	-54.08
O=C(C1CSC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615676	1	29	-1.0	-56.80	250.56	2.69	-54.11
C[C@H]1CC[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615677	0	40	-1.0	-53.27	305.95	4.82	-48.45
C[C@H]1CC[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615677	1	40	-1.0	-53.26	306.04	4.82	-48.44
CCC(CO)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615678	0	34	-1.0	-57.49	271.95	-0.14	-57.63
CCC(CO)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615678	1	34	-1.0	-57.43	272.02	-0.12	-57.55
O=C([C@@H]1C[C@H]1C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615679	0	38	-1.0	-54.09	307.53	5.42	-48.67
O=C([C@@H]1C[C@H]1C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615679	1	38	-1.0	-54.08	307.59	5.43	-48.65
O=C(N1CCSCC1C1=N[N-]N=N1)[C@]12C[C@H]1COC2	REAL250004615680	0	33	-1.0	-50.32	270.01	1.70	-48.62
O=C(N1CCSCC1C1=NN=N[N-]1)[C@]12C[C@H]1COC2	REAL250004615680	1	33	-1.0	-50.37	270.08	1.71	-48.66
CCC1=NOC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615681	0	33	-1.0	-51.35	281.33	2.84	-48.51
CCC1=NOC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615681	1	33	-1.0	-51.31	281.40	2.84	-48.47
CCC(C#N)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615682	0	31	-1.0	-48.07	265.41	2.60	-45.47
CCC(C#N)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615682	1	31	-1.0	-48.08	265.48	2.59	-45.49
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)(C)C	REAL250004615683	0	40	-1.0	-50.84	310.74	4.96	-45.88
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)(C)C	REAL250004615683	1	40	-1.0	-50.82	310.80	4.99	-45.83
CC(C)(O)C(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615684	0	35	-1.0	-53.05	277.69	-1.82	-54.87
CC(C)(O)C(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615684	1	35	-1.0	-53.07	277.75	-1.80	-54.87
CCC(O)C(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615685	0	37	-1.0	-55.10	288.97	2.04	-53.06
CCC(O)C(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615685	1	37	-1.0	-55.08	289.02	2.05	-53.03
O=C(C1CC2CC2C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615686	0	35	-1.0	-53.52	280.82	4.49	-49.03
O=C(C1CC2CC2C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615686	1	35	-1.0	-53.52	280.89	4.48	-49.04
CC=CC(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615687	0	32	-1.0	-50.77	264.36	0.94	-49.83
CC=CC(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615687	1	32	-1.0	-50.79	264.43	0.94	-49.85
O=C(C1CCCC2CC21)N1CCSCC1C1=N[N-]N=N1	REAL250004615688	0	38	-1.0	-54.16	292.52	5.00	-49.16
O=C(C1CCCC2CC21)N1CCSCC1C1=NN=N[N-]1	REAL250004615688	1	38	-1.0	-54.12	292.64	5.03	-49.09
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)OC=C1	REAL250004615689	0	34	-1.0	-54.71	289.46	3.71	-51.00
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)OC=C1	REAL250004615689	1	34	-1.0	-54.69	289.52	3.71	-50.98
CC1(C)CCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615691	0	37	-1.0	-52.32	286.98	4.11	-48.21
CC1(C)CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615691	1	37	-1.0	-52.28	287.05	4.12	-48.16
CC[C@@H]1CCO[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615692	0	38	-1.0	-57.72	295.26	3.38	-54.34
CC[C@@H]1CCO[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615692	1	38	-1.0	-57.75	295.24	3.39	-54.36
O=C(COCC(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615693	0	31	-1.0	-63.84	275.73	2.45	-61.39
O=C(COCC(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615693	1	31	-1.0	-63.84	275.80	2.45	-61.39
CCCC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615694	0	34	-1.0	-52.91	283.25	4.06	-48.85
CCCC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615694	1	34	-1.0	-52.93	283.32	4.06	-48.87
O=C(C1=NC=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615695	0	30	-1.0	-59.42	262.45	3.15	-56.27
O=C(C1=NC=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615695	1	30	-1.0	-59.43	262.38	3.12	-56.31
CC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615696	0	30	-1.0	-50.45	261.67	-0.32	-50.77
CC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615696	1	30	-1.0	-50.45	261.74	-0.31	-50.76
CC1=COC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615697	0	31	-1.0	-55.07	264.98	2.69	-52.38
CC1=COC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615697	1	31	-1.0	-55.06	265.04	2.70	-52.36
COCC(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615698	0	35	-1.0	-52.92	290.78	0.98	-51.94
COCC(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615698	1	35	-1.0	-52.94	290.85	0.99	-51.95
CN1CCC[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615699	0	36	-1.0	-54.86	287.51	1.14	-53.72
CN1CCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615699	1	36	-1.0	-54.85	287.57	1.15	-53.70
CN1CCC[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615700	0	36	-1.0	-50.36	278.97	0.76	-49.60
CN1CCC[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615700	1	36	-1.0	-50.41	279.03	0.77	-49.64
C[C@H](C(=O)N1CCSCC1C1=N[N-]N=N1)N(C)C	REAL250004615701	1	35	-1.0	-52.58	274.19	0.77	-51.81
C[C@H](C(=O)N1CCSCC1C1=NN=N[N-]1)N(C)C	REAL250004615701	1	35	-1.0	-52.58	274.25	0.80	-51.78
CCCC(OCC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615702	0	40	-1.0	-54.32	316.76	4.18	-50.14
CCCC(OCC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615702	1	40	-1.0	-54.31	316.83	4.18	-50.13
COC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615703	0	35	-1.0	-57.47	287.97	2.16	-55.31
COC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615703	1	35	-1.0	-57.50	288.04	2.17	-55.33
CCOC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615704	0	38	-1.0	-53.84	303.12	4.17	-49.67
CCOC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615704	1	38	-1.0	-53.84	303.19	4.18	-49.66
CC(CF)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615705	0	30	-1.0	-47.81	249.43	2.68	-45.13
CC(CF)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615705	1	30	-1.0	-47.81	249.48	2.69	-45.12
O=C([C@@H]1COC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615706	0	30	-1.0	-59.82	258.92	-1.60	-61.42
O=C([C@@H]1COC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615706	1	30	-1.0	-59.82	258.99	-1.57	-61.39
O=C(CC1=CSC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615707	0	30	-1.0	-56.49	271.65	2.10	-54.39
O=C(CC1=CSC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615707	1	30	-1.0	-56.53	271.72	2.10	-54.43
CC1=CN=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615708	0	34	-1.0	-56.99	290.13	4.44	-52.55
CC1=CN=CN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615708	1	34	-1.0	-56.96	290.07	4.44	-52.52
CCC(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615709	0	30	-1.0	-43.34	257.48	2.74	-40.60
CCC(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615709	1	30	-1.0	-43.39	257.55	2.75	-40.64
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCC1	REAL250004615710	0	38	-1.0	-56.20	303.47	3.65	-52.55
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCC1	REAL250004615710	1	38	-1.0	-56.19	303.53	3.65	-52.54
CCN1C=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615711	0	34	-1.0	-54.31	287.33	5.14	-49.17
CCN1C=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615711	1	34	-1.0	-54.30	287.27	5.12	-49.18
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCSCC1C1=N[N-]N=N1	REAL250004615712	0	33	-1.0	-50.42	273.40	2.05	-48.37
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCSCC1C1=NN=N[N-]1	REAL250004615712	1	33	-1.0	-50.40	273.47	2.05	-48.35
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615713	0	35	-1.0	-53.18	277.95	4.37	-48.81
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615713	1	35	-1.0	-53.20	278.02	4.38	-48.82
CC1=NC=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615714	0	32	-1.0	-51.90	276.86	1.09	-50.81
CC1=NC=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615714	1	32	-1.0	-51.84	276.91	1.09	-50.75
O=C(C1CC2(CC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615715	0	35	-1.0	-52.66	286.26	4.55	-48.11
O=C(C1CC2(CC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615715	1	35	-1.0	-52.65	286.33	4.55	-48.10
O=C([C@H]1COC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615716	0	30	-1.0	-59.99	259.44	-1.58	-61.57
O=C([C@H]1COC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615716	1	30	-1.0	-60.01	259.51	-1.57	-61.58
CN1C(=O)NCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615717	0	34	-1.0	-60.14	283.34	-0.41	-60.55
CN1C(=O)NCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615717	1	34	-1.0	-60.15	283.41	-0.41	-60.56
C[C@@H](C(=O)N1CCSCC1C1=N[N-]N=N1)N(C)C	REAL250004615718	1	35	-1.0	-50.55	272.25	0.70	-49.85
C[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)N(C)C	REAL250004615718	1	35	-1.0	-50.56	272.31	0.71	-49.85
CCC(C)(C)C(=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615719	0	38	-1.0	-43.78	299.62	3.49	-40.29
CCC(C)(C)C(=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615719	1	38	-1.0	-43.77	299.68	3.50	-40.27
O=C([C@H]1C[C@@H](O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615720	0	32	-1.0	-58.70	265.88	-0.23	-58.93
O=C([C@H]1C[C@@H](O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615720	1	32	-1.0	-58.74	265.95	-0.22	-58.96
CCC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615721	0	31	-1.0	-53.08	261.75	3.28	-49.80
CCC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615721	1	31	-1.0	-53.11	261.82	3.28	-49.83
CC1=CC=NN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615722	0	34	-1.0	-57.35	290.11	2.77	-54.58
CC1=CC=NN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615722	1	34	-1.0	-57.36	290.18	2.78	-54.58
CC(Cl)=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615723	0	28	-1.0	-52.63	252.34	3.20	-49.43
CC(Cl)=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615723	1	28	-1.0	-52.66	252.40	3.22	-49.44
C=C1CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615725	0	29	-1.0	-51.57	251.51	3.25	-48.32
C=C1CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615725	1	29	-1.0	-51.54	251.59	3.24	-48.30
C#CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL250004615726	0	33	-1.0	-53.34	286.96	4.99	-48.35
C#CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL250004615726	1	33	-1.0	-53.32	286.90	4.99	-48.33
N#CC1(C(=O)N2CCSCC2C2=N[N-]N=N2)CCOC1	REAL250004615727	0	33	-1.0	-44.60	271.71	0.85	-43.75
N#CC1(C(=O)N2CCSCC2C2=NN=N[N-]2)CCOC1	REAL250004615727	1	33	-1.0	-44.60	271.78	0.86	-43.74
O=C(CCOC1COC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615728	0	36	-1.0	-49.97	301.47	0.57	-49.40
O=C(CCOC1COC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615728	1	36	-1.0	-50.02	301.54	0.57	-49.45
NC(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615729	0	31	-1.0	-48.72	265.82	-1.21	-49.93
NC(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615729	1	31	-1.0	-48.70	265.89	-1.22	-49.92
O=C(CN1CCOC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615730	0	33	-1.0	-60.91	283.42	1.66	-59.25
O=C(CN1CCOC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615730	1	33	-1.0	-60.93	283.49	1.65	-59.28
CCCC=CC(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615731	0	38	-1.0	-50.70	306.94	2.48	-48.22
CCCC=CC(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615731	1	38	-1.0	-50.67	307.01	2.48	-48.19
CC1=NC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615732	0	33	-1.0	-57.83	285.55	0.53	-57.30
CC1=NC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615732	1	33	-1.0	-57.80	285.61	0.54	-57.26
O=C(CC1=CON=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615733	0	30	-1.0	-54.20	263.21	2.33	-51.87
O=C(CC1=CON=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615733	1	30	-1.0	-54.22	263.14	2.33	-51.89
CC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1C	REAL250004615735	0	34	-1.0	-50.59	281.59	2.78	-47.81
CC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1C	REAL250004615735	1	34	-1.0	-50.62	281.67	2.78	-47.84
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615736	0	32	-1.0	-58.44	273.38	-0.56	-59.00
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615736	1	32	-1.0	-58.48	273.44	-0.54	-59.02
CN(C)C(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615739	0	37	-1.0	-48.59	305.53	2.23	-46.36
CN(C)C(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615739	1	37	-1.0	-48.57	305.60	2.22	-46.35
CCC(NC(C)=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615740	0	37	-1.0	-45.98	294.55	0.95	-45.03
CCC(NC(C)=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615740	1	37	-1.0	-45.98	294.61	0.95	-45.03
O=C([C@H]1CCC(=O)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615741	0	31	-1.0	-65.55	262.63	2.93	-62.62
O=C([C@H]1CCC(=O)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615741	1	31	-1.0	-65.58	262.73	2.94	-62.64
CN1C(=O)OCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615742	0	33	-1.0	-58.82	274.45	0.93	-57.89
CN1C(=O)OCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615742	1	33	-1.0	-58.80	274.50	0.93	-57.87
O=C(C1CC(C2CC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615743	0	38	-1.0	-55.16	305.80	5.32	-49.84
O=C(C1CC(C2CC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615743	1	38	-1.0	-55.17	305.87	5.33	-49.84
O=C(CC1=CN=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615744	0	31	-1.0	-56.41	267.53	2.41	-54.00
O=C(CC1=CN=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615744	1	31	-1.0	-56.45	267.59	2.40	-54.05
CC(=C(F)C(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615745	0	35	-1.0	-49.76	295.67	4.64	-45.12
CC(=C(F)C(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615745	1	35	-1.0	-49.73	295.73	4.64	-45.09
O=C([C@@H]1CCC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615746	0	32	-1.0	-60.02	267.26	-0.36	-60.38
O=C([C@@H]1CCC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615746	1	32	-1.0	-60.06	267.33	-0.35	-60.41
CC1C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1C1CC1	REAL250004615747	0	38	-1.0	-50.04	304.79	5.54	-44.50
CC1C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1C1CC1	REAL250004615747	1	38	-1.0	-50.05	304.86	5.53	-44.52
O=C(C1CCCC12CC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615748	0	38	-1.0	-53.33	296.69	4.95	-48.38
O=C(C1CCCC12CC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615748	1	38	-1.0	-53.39	296.86	4.95	-48.44
O=C(C1=CC=CN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615749	0	29	-1.0	-49.74	253.44	1.55	-48.19
O=C(C1=CC=CN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615749	1	29	-1.0	-49.74	253.37	1.55	-48.19
CC1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C(C)O1	REAL250004615750	0	38	-1.0	-54.17	292.98	2.49	-51.68
CC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C(C)O1	REAL250004615750	1	38	-1.0	-54.18	293.05	2.51	-51.67
COCC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615751	0	32	-1.0	-55.85	274.01	1.56	-54.29
COCC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615751	1	32	-1.0	-55.83	274.08	1.56	-54.27
N#CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL250004615752	0	29	-1.0	-52.33	263.67	2.49	-49.84
N#CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL250004615752	1	29	-1.0	-52.40	263.72	2.49	-49.91
NC1=CC=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615753	0	32	-1.0	-51.32	275.86	0.34	-50.98
NC1=CC=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615753	1	32	-1.0	-51.36	275.79	0.32	-51.04
CC1=CON=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615754	0	30	-1.0	-50.32	258.46	2.44	-47.88
CC1=CON=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615754	1	30	-1.0	-50.31	258.39	2.43	-47.88
CC1CC1C1CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615755	0	38	-1.0	-54.00	310.36	5.52	-48.48
CC1CC1C1CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615755	1	38	-1.0	-53.94	310.43	5.51	-48.43
CC1(CCCC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615756	0	36	-1.0	-60.41	303.33	-0.64	-61.05
CC1(CCCC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615756	1	36	-1.0	-60.42	303.40	-0.64	-61.06
CN(C)C(=O)C=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615757	0	35	-1.0	-49.24	295.94	1.97	-47.27
CN(C)C(=O)C=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615757	1	35	-1.0	-49.28	296.00	1.97	-47.31
O=C(CC1CCNC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615758	0	35	-1.0	-68.55	286.77	1.49	-67.06
O=C(CC1CCNC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615758	1	35	-1.0	-68.63	286.84	1.50	-67.13
NC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=N1	REAL250004615759	0	32	-1.0	-52.60	270.16	0.83	-51.77
NC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=N1	REAL250004615759	1	32	-1.0	-52.58	270.22	0.84	-51.74
CCCC(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615760	0	39	-1.0	-51.96	302.10	4.62	-47.34
CCCC(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615760	1	39	-1.0	-51.94	302.16	4.65	-47.29
O=C(C1C2(CC2)C12CC2)N1CCSCC1C1=N[N-]N=N1	REAL250004615761	0	36	-1.0	-53.40	303.28	5.63	-47.77
O=C(C1C2(CC2)C12CC2)N1CCSCC1C1=NN=N[N-]1	REAL250004615761	1	36	-1.0	-53.41	303.35	5.64	-47.77
O=C(C1CCC=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615762	0	38	-1.0	-52.59	292.29	4.78	-47.81
O=C(C1CCC=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615762	1	38	-1.0	-52.59	292.36	4.80	-47.79
CC1=COC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615763	0	31	-1.0	-51.76	266.15	3.08	-48.68
CC1=COC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615763	1	31	-1.0	-51.71	266.21	3.10	-48.61
NC1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615764	0	32	-1.0	-53.74	273.58	0.92	-52.82
NC1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615764	1	32	-1.0	-53.78	273.65	0.91	-52.87
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615765	0	38	-1.0	-53.75	312.68	5.74	-48.01
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615765	1	38	-1.0	-53.83	312.75	5.74	-48.09
C=CC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615766	0	37	-1.0	-49.20	290.00	4.23	-44.97
C=CC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615766	1	37	-1.0	-49.19	290.07	4.23	-44.96
O=C(COC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615767	0	32	-1.0	-57.88	273.09	2.93	-54.95
O=C(COC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615767	1	32	-1.0	-57.91	273.16	2.93	-54.98
O=C(C1=CC(=O)C=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615768	0	31	-1.0	-63.18	266.07	2.10	-61.08
O=C(C1=CC(=O)C=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615768	1	31	-1.0	-63.16	266.13	2.10	-61.06
O=C(C1=CSN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615769	0	27	-1.0	-48.35	245.01	1.46	-46.89
O=C(C1=CSN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615769	1	27	-1.0	-48.33	244.95	1.44	-46.89
CC1=CN(C)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615770	0	35	-1.0	-59.42	290.23	4.18	-55.24
CC1=CN(C)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615770	1	35	-1.0	-59.43	290.30	4.18	-55.25
O=C(C1=CC=C(F)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615771	0	28	-1.0	-44.97	251.15	2.31	-42.66
O=C(C1=CC=C(F)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615771	1	28	-1.0	-44.95	251.22	2.32	-42.63
CC1COC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615772	0	35	-1.0	-58.15	280.81	2.82	-55.33
CC1COC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615772	1	35	-1.0	-58.15	280.88	2.83	-55.32
CCN1CCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615773	0	36	-1.0	-56.73	291.94	0.64	-56.09
CCN1CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615773	1	36	-1.0	-56.75	292.01	0.64	-56.11
CCC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NO1	REAL250004615774	0	33	-1.0	-48.22	282.13	3.56	-44.66
CCC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NO1	REAL250004615774	1	33	-1.0	-48.20	282.19	3.58	-44.62
O=C(CCCCCO)N1CCSCC1C1=N[N-]N=N1	REAL250004615776	0	37	-1.0	-56.43	304.06	0.94	-55.49
O=C(CCCCCO)N1CCSCC1C1=NN=N[N-]1	REAL250004615776	1	37	-1.0	-56.41	304.13	0.94	-55.47
C=C1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615777	0	38	-1.0	-52.84	300.81	4.72	-48.12
C=C1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615777	1	38	-1.0	-52.86	300.87	4.72	-48.14
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCO1	REAL250004615778	0	38	-1.0	-58.69	293.43	3.33	-55.36
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCO1	REAL250004615778	1	38	-1.0	-58.72	293.50	3.34	-55.38
NC1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615779	0	31	-1.0	-59.57	274.85	0.58	-58.99
NC1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615779	1	31	-1.0	-59.58	274.78	0.59	-58.99
O=C(C1=CC=NS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615780	0	27	-1.0	-48.84	246.92	1.55	-47.29
O=C(C1=CC=NS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615780	1	27	-1.0	-48.83	246.85	1.56	-47.27
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615781	0	34	-1.0	-60.30	288.82	4.02	-56.28
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615781	1	34	-1.0	-60.32	288.87	4.02	-56.30
C[C@@H]1CC=CC[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615782	0	38	-1.0	-51.50	297.81	4.88	-46.62
C[C@@H]1CC=CC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615782	1	38	-1.0	-51.50	297.87	4.89	-46.61
C#CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615783	0	30	-1.0	-56.57	278.45	3.84	-52.73
C#CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615783	1	30	-1.0	-56.59	278.52	3.83	-52.76
O=C(C1=NC=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615784	0	29	-1.0	-58.04	255.31	1.84	-56.20
O=C(C1=NC=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615784	1	29	-1.0	-58.06	255.38	1.78	-56.28
O=C(C1C2CCC(=O)C21)N1CCSCC1C1=N[N-]N=N1	REAL250004615785	0	34	-1.0	-53.46	284.35	3.61	-49.85
O=C(C1C2CCC(=O)C21)N1CCSCC1C1=NN=N[N-]1	REAL250004615785	1	34	-1.0	-53.51	284.41	3.61	-49.90
C=C(CC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615786	0	31	-1.0	-52.16	248.43	2.81	-49.35
C=C(CC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615786	1	31	-1.0	-52.16	248.49	2.82	-49.34
CCOC1C(C)C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615787	0	38	-1.0	-59.57	314.27	3.32	-56.25
CCOC1C(C)C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615787	1	38	-1.0	-59.60	314.34	3.32	-56.28
O=C(CCN1C=NN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615788	0	32	-1.0	-49.29	279.14	2.10	-47.19
O=C(CCN1C=NN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615788	1	32	-1.0	-49.28	279.07	2.09	-47.19
NC1=CC=NN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615789	0	33	-1.0	-57.74	283.62	1.05	-56.69
NC1=CC=NN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615789	1	33	-1.0	-57.80	283.55	1.06	-56.74
O=C(CC1CC=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615790	0	38	-1.0	-53.48	299.99	5.13	-48.35
O=C(CC1CC=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615790	1	38	-1.0	-53.49	300.06	5.14	-48.35
C=C(CC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615792	0	37	-1.0	-51.63	283.81	3.96	-47.67
C=C(CC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615792	1	37	-1.0	-51.65	283.87	3.98	-47.67
CCC[C@H](O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615793	0	34	-1.0	-50.95	274.16	0.91	-50.04
CCC[C@H](O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615793	1	34	-1.0	-50.89	274.23	0.92	-49.97
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)CO	REAL250004615794	0	28	-1.0	-46.15	247.92	-0.66	-46.81
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)CO	REAL250004615794	1	28	-1.0	-46.14	247.99	-0.66	-46.80
CCOC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615795	0	32	-1.0	-50.02	273.78	2.15	-47.87
CCOC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615795	1	32	-1.0	-50.03	273.85	2.16	-47.87
CC1=COC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615796	0	30	-1.0	-56.43	261.90	-0.55	-56.98
CC1=COC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615796	1	30	-1.0	-56.43	261.97	-0.56	-56.99
C=CC(CC)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615797	0	37	-1.0	-51.25	299.69	4.53	-46.72
C=CC(CC)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615797	1	37	-1.0	-51.28	299.76	4.53	-46.75
CCN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615798	0	33	-1.0	-47.79	283.34	1.68	-46.11
CCN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615798	1	33	-1.0	-47.80	283.27	1.68	-46.12
CC[C@@H]1OCC[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615799	0	38	-1.0	-52.35	301.79	2.68	-49.67
CC[C@@H]1OCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615799	1	38	-1.0	-52.34	301.86	2.67	-49.67
CN1C(=O)CC[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615801	0	35	-1.0	-58.79	285.99	1.81	-56.98
CN1C(=O)CC[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615801	1	35	-1.0	-58.81	286.06	1.81	-57.00
O=C(C1CCCCC1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615802	0	37	-1.0	-56.10	289.53	4.28	-51.82
O=C(C1CCCCC1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615802	1	37	-1.0	-56.16	289.60	4.27	-51.89
CN1C=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615803	0	33	-1.0	-67.42	284.17	1.48	-65.94
CN1C=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615803	1	33	-1.0	-67.36	284.24	1.48	-65.88
O=C(CC1=CN=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615804	0	32	-1.0	-54.79	277.86	2.94	-51.85
O=C(CC1=CN=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615804	1	32	-1.0	-54.75	277.79	2.94	-51.81
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN=N1	REAL250004615805	0	32	-1.0	-47.41	271.49	1.54	-45.87
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN=N1	REAL250004615805	1	32	-1.0	-47.44	271.55	1.55	-45.89
CC[C@H](C)[C@H](O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615806	0	37	-1.0	-50.24	287.44	1.70	-48.54
CC[C@H](C)[C@H](O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615806	1	37	-1.0	-50.24	287.51	1.71	-48.53
O=C(C=CCO)N1CCSCC1C1=N[N-]N=N1	REAL250004615809	0	29	-1.0	-57.56	251.77	-0.85	-58.41
O=C(C=CCO)N1CCSCC1C1=NN=N[N-]1	REAL250004615809	1	29	-1.0	-57.56	251.84	-0.84	-58.40
C[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=NN=N1	REAL250004615810	0	32	-1.0	-53.40	274.68	1.86	-51.54
C[C@@H](C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=NN=N1	REAL250004615810	1	32	-1.0	-53.38	274.63	1.87	-51.51
CNC(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615811	0	34	-1.0	-48.90	287.76	0.27	-48.63
CNC(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615811	1	34	-1.0	-48.92	287.83	0.27	-48.65
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCSCC1C1=N[N-]N=N1	REAL250004615812	0	36	-1.0	-51.29	289.49	2.73	-48.56
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCSCC1C1=NN=N[N-]1	REAL250004615812	1	36	-1.0	-51.27	289.56	2.73	-48.54
CC1(C)CC1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615813	0	40	-1.0	-52.63	321.28	5.43	-47.20
CC1(C)CC1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615813	1	40	-1.0	-52.65	321.34	5.42	-47.23
COC1CCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615814	0	38	-1.0	-57.18	301.72	3.03	-54.15
COC1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615814	1	38	-1.0	-57.14	301.78	3.04	-54.10
O=C(C1CC2CCCC21)N1CCSCC1C1=N[N-]N=N1	REAL250004615815	0	38	-1.0	-55.07	296.41	4.90	-50.17
O=C(C1CC2CCCC21)N1CCSCC1C1=NN=N[N-]1	REAL250004615815	1	38	-1.0	-55.09	296.47	4.90	-50.19
O=C(C1=CCCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615816	0	36	-1.0	-53.36	279.30	2.19	-51.17
O=C(C1=CCCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615816	1	36	-1.0	-53.36	279.37	2.18	-51.18
CC1(CCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615817	0	37	-1.0	-52.74	297.60	4.66	-48.08
CC1(CCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615817	1	37	-1.0	-52.71	297.67	4.65	-48.06
NC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615818	0	29	-1.0	-50.90	254.43	-3.01	-53.91
NC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615818	1	29	-1.0	-50.89	254.36	-3.02	-53.91
O=C(C1CCC1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615819	0	31	-1.0	-53.88	260.54	3.26	-50.62
O=C(C1CCC1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615819	1	31	-1.0	-53.89	260.61	3.26	-50.63
CCC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1	REAL250004615820	0	34	-1.0	-52.68	286.77	2.79	-49.89
CCC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1	REAL250004615820	1	34	-1.0	-52.67	286.84	2.79	-49.88
CC1=NOC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615821	0	33	-1.0	-55.72	284.97	2.92	-52.80
CC1=NOC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615821	1	33	-1.0	-55.71	285.03	2.91	-52.80
COC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615822	0	35	-1.0	-55.75	290.86	2.90	-52.85
COC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615822	1	35	-1.0	-55.75	290.93	2.91	-52.84
CC1=NSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615823	0	30	-1.0	-48.80	268.57	2.12	-46.68
CC1=NSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615823	1	30	-1.0	-48.86	268.69	2.13	-46.73
C=C(CCC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615824	0	34	-1.0	-51.55	269.95	3.57	-47.98
C=C(CCC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615824	1	34	-1.0	-51.58	270.01	3.60	-47.98
C#CC1(O)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615825	0	34	-1.0	-53.85	292.41	0.91	-52.94
C#CC1(O)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615825	1	34	-1.0	-53.84	292.48	0.91	-52.93
O=C([C@@H]1C[C@H]1CF)N1CCSCC1C1=N[N-]N=N1	REAL250004615827	0	31	-1.0	-55.52	266.36	3.48	-52.04
O=C([C@@H]1C[C@H]1CF)N1CCSCC1C1=NN=N[N-]1	REAL250004615827	1	31	-1.0	-55.50	266.43	3.49	-52.01
O=C(C1CC=CCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615829	0	33	-1.0	-56.05	270.16	2.91	-53.14
O=C(C1CC=CCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615829	1	33	-1.0	-56.04	270.23	2.92	-53.12
O=C(CC1CC(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615830	0	34	-1.0	-58.07	282.58	4.10	-53.97
O=C(CC1CC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615830	1	34	-1.0	-58.00	282.64	4.10	-53.90
O=C(CC(O)C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615831	0	35	-1.0	-56.27	287.53	1.95	-54.32
O=C(CC(O)C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615831	1	35	-1.0	-56.28	287.60	1.94	-54.34
C=C(C)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615832	0	37	-1.0	-52.78	305.56	4.73	-48.05
C=C(C)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615832	1	37	-1.0	-52.80	305.64	4.72	-48.08
N#C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615833	0	29	-1.0	-49.81	258.75	3.08	-46.73
N#C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615833	1	29	-1.0	-49.83	258.81	3.09	-46.74
O=C(CCC[N+](=O)[O-])N1CCSCC1C1=N[N-]N=N1	REAL250004615834	0	32	-1.0	-59.78	278.74	3.13	-56.65
O=C(CCC[N+](=O)[O-])N1CCSCC1C1=NN=N[N-]1	REAL250004615834	1	32	-1.0	-59.81	278.81	3.12	-56.69
CC1(C)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615835	0	35	-1.0	-54.05	285.57	4.27	-49.78
CC1(C)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615835	1	35	-1.0	-54.09	285.63	4.29	-49.80
O=C(C1=NNC=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL250004615836	0	28	-1.0	-54.38	258.27	1.49	-52.89
O=C(C1=NNC=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL250004615836	1	28	-1.0	-54.36	258.33	1.49	-52.87
O=C(C(O)C1(O)CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615837	0	36	-1.0	-46.01	285.30	-0.84	-46.85
O=C(C(O)C1(O)CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615837	1	36	-1.0	-45.99	285.36	-0.83	-46.82
CC(O)C(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615838	0	31	-1.0	-45.90	266.06	0.64	-45.26
CC(O)C(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615838	1	31	-1.0	-45.87	266.12	0.64	-45.23
N#C[C@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615839	0	29	-1.0	-66.93	254.98	2.98	-63.95
N#C[C@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615839	1	29	-1.0	-66.98	255.05	2.97	-64.01
C=C(C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615840	0	34	-1.0	-51.32	283.80	3.94	-47.38
C=C(C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615840	1	34	-1.0	-51.37	283.88	3.93	-47.44
CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615841	0	39	-1.0	-52.84	297.44	4.45	-48.39
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615841	1	39	-1.0	-52.87	297.49	4.46	-48.41
O=C(CCC1=CON=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615842	0	33	-1.0	-51.37	284.61	3.14	-48.23
O=C(CCC1=CON=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615842	1	33	-1.0	-51.36	284.53	3.14	-48.22
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NN1C	REAL250004615843	0	34	-1.0	-56.22	285.63	2.76	-53.46
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NN1C	REAL250004615843	1	34	-1.0	-56.23	285.70	2.76	-53.47
O=C(C1C2CCOCC21)N1CCSCC1C1=N[N-]N=N1	REAL250004615844	0	36	-1.0	-54.06	277.42	3.86	-50.20
O=C(C1C2CCOCC21)N1CCSCC1C1=NN=N[N-]1	REAL250004615844	1	36	-1.0	-54.02	277.48	3.88	-50.14
O=C(C#CC1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615845	0	34	-1.0	-54.98	292.97	2.89	-52.09
O=C(C#CC1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615845	1	34	-1.0	-52.58	293.04	2.89	-49.69
O=C(C1=CC=C(Cl)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615846	0	29	-1.0	-48.68	265.36	2.58	-46.10
O=C(C1=CC=C(Cl)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615846	1	29	-1.0	-48.66	265.42	2.58	-46.08
CC1=C(C)NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615847	0	35	-1.0	-55.39	287.54	3.46	-51.93
CC1=C(C)NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615847	1	35	-1.0	-55.44	287.61	3.47	-51.97
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C1CC1	REAL250004615848	0	32	-1.0	-54.81	264.92	3.73	-51.08
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C1CC1	REAL250004615848	1	32	-1.0	-54.83	264.97	3.74	-51.09
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)OC=N1	REAL250004615849	0	33	-1.0	-49.97	279.40	0.28	-49.69
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)OC=N1	REAL250004615849	1	33	-1.0	-49.94	279.47	0.28	-49.66
O=C(C1=CCCS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615850	0	30	-1.0	-51.50	261.99	3.15	-48.35
O=C(C1=CCCS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615850	1	30	-1.0	-51.52	262.08	3.15	-48.37
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615851	0	37	-1.0	-50.56	294.79	4.57	-45.99
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615851	1	37	-1.0	-50.54	294.86	4.58	-45.96
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=CS1	REAL250004615852	0	30	-1.0	-51.00	264.20	2.74	-48.26
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=CS1	REAL250004615852	1	30	-1.0	-50.96	264.14	2.73	-48.23
O=C(C1CC(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615853	0	31	-1.0	-56.40	261.11	3.29	-53.11
O=C(C1CC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615853	1	31	-1.0	-56.44	261.18	3.29	-53.15
CCC(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615854	0	30	-1.0	-51.47	254.71	2.69	-48.78
CCC(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615854	1	30	-1.0	-51.48	254.78	2.70	-48.78
N#CC1=CNN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615855	0	29	-1.0	-63.53	263.14	1.63	-61.90
N#CC1=CNN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615855	1	29	-1.0	-63.55	263.19	1.64	-61.91
O=C(C=CC1=COC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615856	0	31	-1.0	-53.35	274.98	0.24	-53.11
O=C(C=CC1=COC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615856	1	31	-1.0	-53.36	275.05	0.25	-53.11
O=C(CCC1=NNC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615857	0	34	-1.0	-53.65	289.41	2.11	-51.54
O=C(CCC1=NNC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615857	1	34	-1.0	-53.66	289.47	2.11	-51.55
CCC1=CNC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615858	0	35	-1.0	-59.93	287.51	3.16	-56.77
CCC1=CNC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615858	1	35	-1.0	-59.98	287.58	3.17	-56.81
O=C(CC1(O)CCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615859	0	36	-1.0	-52.18	288.83	-0.24	-52.42
O=C(CC1(O)CCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615859	1	36	-1.0	-52.20	288.90	-0.23	-52.43
CN(C)C(=O)C=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615860	0	35	-1.0	-49.24	295.94	1.97	-47.27
CN(C)C(=O)C=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615860	1	35	-1.0	-49.28	296.00	1.97	-47.31
O=C(CC1=CNN=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615861	0	31	-1.0	-54.28	268.07	1.40	-52.88
O=C(CC1=CNN=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615861	1	31	-1.0	-54.27	268.00	1.41	-52.86
O=C(COC1=NOC=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615862	0	31	-1.0	-56.25	275.03	0.81	-55.44
O=C(COC1=NOC=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615862	1	31	-1.0	-56.24	274.97	0.82	-55.42
O=C(CC1(CO)CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615863	0	38	-1.0	-50.02	299.78	1.22	-48.80
O=C(CC1(CO)CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615863	1	38	-1.0	-50.04	299.85	1.24	-48.80
CCC(CCOC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615864	0	40	-1.0	-53.26	314.28	2.92	-50.34
CCC(CCOC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615864	1	40	-1.0	-53.30	314.34	2.94	-50.36
O=C(C1=NC=CN1)N1CCSCC1C1=NN=N[N-]1	REAL250004615865	0	28	-1.0	-49.18	243.68	1.48	-47.70
O=C(C1=NC=CN1)N1CCSCC1C1=N[N-]N=N1	REAL250004615865	1	28	-1.0	-49.14	243.61	1.48	-47.66
C=C(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615866	0	34	-1.0	-52.68	277.68	3.56	-49.12
C=C(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615866	1	34	-1.0	-52.68	277.74	3.56	-49.12
CN1N=CC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615867	0	34	-1.0	-56.12	289.15	2.46	-53.66
CN1N=CC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615867	1	34	-1.0	-56.14	289.22	2.46	-53.68
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)CCO1	REAL250004615868	0	33	-1.0	-52.27	266.00	2.32	-49.95
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)CCO1	REAL250004615868	1	33	-1.0	-52.31	266.06	2.32	-49.99
CCN1C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615869	0	35	-1.0	-51.98	288.42	4.25	-47.73
CCN1C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615869	1	35	-1.0	-51.98	288.35	4.23	-47.75
O=C(C(F)=CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615870	0	32	-1.0	-45.93	274.89	4.28	-41.65
O=C(C(F)=CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615870	1	32	-1.0	-45.97	274.95	4.28	-41.69
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N(C)C=N1	REAL250004615871	0	34	-1.0	-52.42	290.59	4.08	-48.34
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N(C)C=N1	REAL250004615871	1	34	-1.0	-52.39	290.65	4.08	-48.31
COC1=NNC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615872	0	32	-1.0	-48.52	276.36	-1.48	-50.00
COC1=NNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615872	1	32	-1.0	-48.56	276.43	-1.47	-50.03
CC1CC(=O)NC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615873	0	35	-1.0	-58.63	286.25	0.18	-58.45
CC1CC(=O)NC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615873	1	35	-1.0	-58.64	286.32	0.17	-58.47
O=C(C1CC1F)N1CCSCC1C1=N[N-]N=N1	REAL250004615874	0	28	-1.0	-58.40	242.89	2.78	-55.62
O=C(C1CC1F)N1CCSCC1C1=NN=N[N-]1	REAL250004615874	1	28	-1.0	-58.38	242.96	2.78	-55.60
O=C(CN1N=CN=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615875	0	29	-1.0	-58.78	258.52	1.06	-57.72
O=C(CN1N=CN=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615875	1	29	-1.0	-58.78	258.45	1.05	-57.73
CC(C)=CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615876	0	37	-1.0	-51.38	300.94	4.88	-46.50
CC(C)=CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615876	1	37	-1.0	-51.37	301.01	4.88	-46.49
CC(=O)OCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615877	0	36	-1.0	-54.76	306.65	3.69	-51.07
CC(=O)OCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615877	1	36	-1.0	-54.84	306.72	3.69	-51.15
CCCC(CC)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615878	0	42	-1.0	-51.90	319.77	5.38	-46.52
CCCC(CC)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615878	1	42	-1.0	-51.88	319.84	5.38	-46.50
O=C(C=CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615879	0	32	-1.0	-52.69	272.05	4.34	-48.35
O=C(C=CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615879	1	32	-1.0	-52.74	272.11	4.36	-48.38
O=C(C[C@H]1COC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615880	0	33	-1.0	-57.23	279.35	-0.65	-57.88
O=C(C[C@H]1COC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615880	1	33	-1.0	-57.27	279.41	-0.64	-57.91
CN1C=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615881	0	31	-1.0	-48.34	261.27	3.42	-44.92
CN1C=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615881	1	31	-1.0	-48.35	261.22	3.40	-44.95
CC(C)NC(=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615882	0	34	-1.0	-42.69	284.74	0.28	-42.41
CC(C)NC(=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615882	1	34	-1.0	-42.71	284.81	0.28	-42.43
CN1N=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1F	REAL250004615883	0	31	-1.0	-51.00	272.87	2.24	-48.76
CN1N=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1F	REAL250004615883	1	31	-1.0	-50.98	272.79	2.25	-48.73
O=C(C(F)CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615884	0	34	-1.0	-50.71	286.00	4.32	-46.39
O=C(C(F)CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615884	1	34	-1.0	-50.73	286.06	4.33	-46.40
O=C(C1C=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615885	0	32	-1.0	-51.54	256.85	3.43	-48.11
O=C(C1C=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615885	1	32	-1.0	-51.56	256.91	3.43	-48.13
CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CC1	REAL250004615886	0	40	-1.0	-51.87	316.29	5.50	-46.37
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615886	1	40	-1.0	-51.88	316.35	5.52	-46.36
CC(=CC1CC1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615887	0	35	-1.0	-51.70	287.70	4.59	-47.11
CC(=CC1CC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615887	1	35	-1.0	-51.62	287.22	4.65	-46.97
O=C(CCOC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615888	0	35	-1.0	-49.81	294.04	2.77	-47.04
O=C(CCOC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615888	1	35	-1.0	-49.84	294.11	2.77	-47.07
CC1(C)OC[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615889	0	36	-1.0	-54.88	294.37	2.01	-52.87
CC1(C)OC[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615889	1	36	-1.0	-54.89	294.44	2.02	-52.87
N#C[C@@]1(O)C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615890	0	33	-1.0	-51.69	285.76	0.05	-51.64
N#C[C@@]1(O)C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615890	1	33	-1.0	-51.71	285.83	0.06	-51.65
CCCC(O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615891	0	34	-1.0	-50.99	274.11	0.92	-50.07
CCCC(O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615891	1	34	-1.0	-50.95	274.17	0.92	-50.03
CCSC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615892	0	34	-1.0	-55.21	285.56	3.63	-51.58
CCSC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615892	1	34	-1.0	-55.21	285.63	3.64	-51.57
O=C(CC1COCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615893	0	36	-1.0	-57.24	293.11	1.75	-55.49
O=C(CC1COCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615893	1	36	-1.0	-57.26	293.18	1.76	-55.50
CCC1(C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615894	0	40	-1.0	-53.00	311.83	4.90	-48.10
CCC1(C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615894	1	40	-1.0	-52.99	311.90	4.90	-48.09
CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(F)F	REAL250004615895	0	33	-1.0	-52.23	277.78	3.53	-48.70
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(F)F	REAL250004615895	1	33	-1.0	-52.23	277.85	3.53	-48.70
C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615896	0	31	-1.0	-53.17	259.20	3.35	-49.82
C[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615896	1	31	-1.0	-53.19	259.27	3.35	-49.84
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=NS1	REAL250004615897	0	30	-1.0	-47.35	265.96	2.24	-45.11
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=NS1	REAL250004615897	1	30	-1.0	-47.36	266.02	2.25	-45.11
CCN1C=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615898	0	33	-1.0	-60.48	282.49	4.02	-56.46
CCN1C=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615898	1	33	-1.0	-60.46	282.42	4.02	-56.44
CC(C)CC(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615899	0	36	-1.0	-51.27	293.41	3.98	-47.29
CC(C)CC(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615899	1	36	-1.0	-51.23	293.48	3.98	-47.25
C=C(Cl)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615900	0	31	-1.0	-50.12	279.47	3.81	-46.31
C=C(Cl)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615900	1	31	-1.0	-50.10	279.54	3.81	-46.29
CC(CC1CCC1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615901	0	40	-1.0	-52.55	310.85	5.30	-47.25
CC(CC1CCC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615901	1	40	-1.0	-52.53	310.90	5.32	-47.21
O=C(CCCC1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615902	0	40	-1.0	-52.92	319.38	5.58	-47.34
O=C(CCCC1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615902	1	40	-1.0	-52.99	319.45	5.58	-47.41
CC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NN1C	REAL250004615903	0	33	-1.0	-59.74	280.50	2.94	-56.80
CC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NN1C	REAL250004615903	1	33	-1.0	-59.72	280.57	2.93	-56.79
CCC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615904	0	35	-1.0	-53.68	291.38	3.51	-50.17
CCC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615904	1	35	-1.0	-53.73	291.45	3.51	-50.22
O=C(N1CCSCC1C1=N[N-]N=N1)C1(O)CC1	REAL250004615905	0	29	-1.0	-48.05	243.87	-0.25	-48.30
O=C(N1CCSCC1C1=NN=N[N-]1)C1(O)CC1	REAL250004615905	1	29	-1.0	-48.00	243.93	-0.23	-48.23
CN1NC(=O)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615906	0	32	-1.0	-46.66	273.91	-0.28	-46.94
CN1NC(=O)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615906	1	32	-1.0	-46.66	273.97	-0.27	-46.93
CCC1(C)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615907	0	38	-1.0	-54.13	303.33	4.96	-49.17
CCC1(C)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615907	1	38	-1.0	-54.14	303.40	4.97	-49.17
O=C(C[C@@H]1CCC[C@H]1O)N1CCSCC1C1=N[N-]N=N1	REAL250004615908	0	38	-1.0	-55.45	302.99	1.21	-54.24
O=C(C[C@@H]1CCC[C@H]1O)N1CCSCC1C1=NN=N[N-]1	REAL250004615908	1	38	-1.0	-55.46	303.06	1.21	-54.25
O=C(CC1CCC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615909	0	36	-1.0	-59.77	294.66	3.67	-56.10
O=C(CC1CCC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615909	1	36	-1.0	-59.80	294.73	3.68	-56.12
CCC(F)(F)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615910	0	33	-1.0	-60.16	279.95	3.62	-56.54
CCC(F)(F)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615910	1	33	-1.0	-60.18	280.02	3.62	-56.56
C=CCC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615911	0	40	-1.0	-50.28	310.50	4.93	-45.35
C=CCC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615911	1	40	-1.0	-50.27	310.56	4.93	-45.34
CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)OC	REAL250004615912	0	37	-1.0	-54.08	295.77	3.53	-50.55
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)OC	REAL250004615912	1	37	-1.0	-54.12	295.82	3.54	-50.58
CC1(C)C(=O)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615913	0	36	-1.0	-48.80	290.31	3.22	-45.58
CC1(C)C(=O)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615913	1	36	-1.0	-48.83	290.38	3.23	-45.60
CC(C)[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615914	0	37	-1.0	-53.51	300.09	4.67	-48.84
CC(C)[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615914	1	37	-1.0	-53.51	300.15	4.66	-48.85
O=C([C@@H]1CC=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615915	0	35	-1.0	-51.48	276.42	4.23	-47.25
O=C([C@@H]1CC=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615915	1	35	-1.0	-51.51	276.49	4.23	-47.28
O=C(CC1CC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615916	0	33	-1.0	-57.32	278.62	3.11	-54.21
O=C(CC1CC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615916	1	33	-1.0	-57.33	278.68	3.11	-54.22
CN(C)C(=O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615917	0	31	-1.0	-42.43	258.10	0.62	-41.81
CN(C)C(=O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615917	1	31	-1.0	-42.44	258.17	0.63	-41.81
CC(C)C1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615918	0	40	-1.0	-54.56	314.80	5.09	-49.47
CC(C)C1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615918	1	40	-1.0	-54.56	314.86	5.10	-49.46
CC1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL250004615919	0	32	-1.0	-58.52	276.95	2.43	-56.09
CC1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL250004615919	1	32	-1.0	-58.56	276.92	2.45	-56.11
CC1(CCC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615920	0	33	-1.0	-46.24	281.81	-1.41	-47.65
CC1(CCC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615920	1	33	-1.0	-46.26	281.88	-1.42	-47.68
O=C(C1=CN=CC(F)=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615921	0	29	-1.0	-45.91	259.64	1.06	-44.85
O=C(C1=CN=CC(F)=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615921	1	29	-1.0	-45.92	259.57	1.06	-44.86
CC1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615922	0	33	-1.0	-54.08	279.95	3.63	-50.45
CC1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615922	1	33	-1.0	-54.11	280.02	3.63	-50.48
CC1(F)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615923	0	34	-1.0	-49.03	281.36	3.86	-45.17
CC1(F)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615923	1	34	-1.0	-49.07	281.43	3.85	-45.22
CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615924	0	31	-1.0	-54.53	272.67	3.31	-51.22
CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615924	1	31	-1.0	-54.54	272.74	3.31	-51.23
CC1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL250004615925	0	35	-1.0	-58.89	279.75	2.88	-56.01
CC1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL250004615925	1	35	-1.0	-58.90	279.82	2.89	-56.01
O=C(C1CC2(CC2F)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615926	0	35	-1.0	-56.81	292.65	4.63	-52.18
O=C(C1CC2(CC2F)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615926	1	35	-1.0	-56.79	292.72	4.63	-52.16
O=C(C[C@@H]1CC=CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615927	0	38	-1.0	-53.47	299.99	5.12	-48.35
O=C(C[C@@H]1CC=CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615927	1	38	-1.0	-53.48	300.06	5.11	-48.37
CCC1=CNC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615928	0	35	-1.0	-54.87	291.44	3.64	-51.23
CCC1=CNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615928	1	35	-1.0	-54.93	291.51	3.65	-51.28
O=C(C=CC1CCCO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615929	0	36	-1.0	-55.56	297.25	2.77	-52.79
O=C(C=CC1CCCO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615929	1	36	-1.0	-55.57	297.32	2.78	-52.79
CC1=CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615930	0	38	-1.0	-51.71	301.36	4.86	-46.85
CC1=CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615930	1	38	-1.0	-51.71	301.42	4.86	-46.85
CC[C@H](CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL250004615931	0	42	-1.0	-52.08	314.89	5.08	-47.00
CC[C@H](CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL250004615931	1	42	-1.0	-52.07	314.96	5.08	-46.99
O=C(CC12CC(C1)C2)N1CCSCC1C1=N[N-]N=N1	REAL250004615932	0	35	-1.0	-54.68	282.00	4.65	-50.03
O=C(CC12CC(C1)C2)N1CCSCC1C1=NN=N[N-]1	REAL250004615932	1	35	-1.0	-54.69	282.07	4.65	-50.04
CCC=CC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615933	0	35	-1.0	-53.34	296.99	4.72	-48.62
CCC=CC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615933	1	35	-1.0	-53.36	297.06	4.73	-48.63
O=C(CC1CC=CC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615934	0	35	-1.0	-53.73	284.17	4.47	-49.26
O=C(CC1CC=CC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615934	1	35	-1.0	-53.73	284.23	4.48	-49.25
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1	REAL250004615935	0	32	-1.0	-59.68	268.70	2.32	-57.36
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1	REAL250004615935	1	32	-1.0	-59.62	268.64	2.31	-57.31
O=C(CCCCCF)N1CCSCC1C1=N[N-]N=N1	REAL250004615936	0	36	-1.0	-54.85	299.23	4.42	-50.43
O=C(CCCCCF)N1CCSCC1C1=NN=N[N-]1	REAL250004615936	1	36	-1.0	-54.88	299.30	4.42	-50.46
O=C(C1CC(=O)CO1)N1CCSCC1C1=N[N-]N=N1	REAL250004615937	0	31	-1.0	-54.99	261.94	1.20	-53.79
O=C(C1CC(=O)CO1)N1CCSCC1C1=NN=N[N-]1	REAL250004615937	1	31	-1.0	-55.02	262.01	1.20	-53.82
CC1=NN=NN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615938	0	32	-1.0	-63.56	278.12	1.27	-62.29
CC1=NN=NN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615938	1	32	-1.0	-63.57	278.19	1.26	-62.31
CN1N=NC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615939	0	33	-1.0	-60.32	282.54	1.26	-59.06
CN1N=NC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615939	1	33	-1.0	-60.33	282.61	1.24	-59.09
O=C(N1CCSCC1C1=N[N-]N=N1)[C@]12C[C@H]1[C@H](F)C2	REAL250004615940	0	32	-1.0	-57.80	270.52	3.81	-53.99
O=C(N1CCSCC1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL250004615940	1	32	-1.0	-57.80	270.59	3.83	-53.97
O=C(C1=NC=C(F)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615941	0	29	-1.0	-52.83	261.65	1.93	-50.90
O=C(C1=NC=C(F)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615941	1	29	-1.0	-52.82	261.59	1.92	-50.90
CC1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL250004615942	0	32	-1.0	-59.36	280.46	0.91	-58.45
CC1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL250004615942	1	32	-1.0	-59.37	280.52	0.91	-58.46
C#CC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615943	0	33	-1.0	-57.01	287.21	5.02	-51.99
C#CC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615943	1	33	-1.0	-56.99	287.14	5.02	-51.97
O=C(CC1CC2CC2C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615944	0	38	-1.0	-54.16	301.89	5.34	-48.82
O=C(CC1CC2CC2C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615944	1	38	-1.0	-54.11	301.96	5.34	-48.77
O=C(C1=CCCOC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615945	0	33	-1.0	-53.52	265.01	1.71	-51.81
O=C(C1=CCCOC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615945	1	33	-1.0	-53.51	265.08	1.73	-51.78
CCC1=NON=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615946	0	32	-1.0	-41.24	274.77	2.71	-38.53
CCC1=NON=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615946	1	32	-1.0	-41.21	274.83	2.73	-38.48
O=C(C1=NOC(CF)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615947	0	30	-1.0	-48.74	267.23	2.92	-45.82
O=C(C1=NOC(CF)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615947	1	30	-1.0	-48.77	267.29	2.93	-45.84
CCC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL250004615948	0	33	-1.0	-44.74	282.15	2.99	-41.75
CCC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL250004615948	1	33	-1.0	-44.70	282.21	3.01	-41.69
O=C(C1COC(=O)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615949	0	29	-1.0	-63.37	250.60	2.00	-61.37
O=C(C1COC(=O)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615949	1	29	-1.0	-63.38	250.67	1.99	-61.39
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCOC1	REAL250004615950	0	38	-1.0	-53.23	300.12	2.42	-50.81
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCOC1	REAL250004615950	1	38	-1.0	-53.25	300.19	2.43	-50.82
CO[C@H](C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615951	0	31	-1.0	-56.37	253.92	1.61	-54.76
CO[C@H](C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615951	1	31	-1.0	-56.40	253.99	1.60	-54.80
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCSCC1C1=N[N-]N=N1	REAL250004615952	0	35	-1.0	-53.58	275.26	4.22	-49.36
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCSCC1C1=NN=N[N-]1	REAL250004615952	1	35	-1.0	-53.52	275.32	4.23	-49.29
CC1CCOC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615953	0	38	-1.0	-57.49	298.78	3.23	-54.26
CC1CCOC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615953	1	38	-1.0	-57.44	298.85	3.22	-54.22
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL250004615954	0	32	-1.0	-54.07	269.96	2.77	-51.30
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL250004615954	1	32	-1.0	-54.09	269.89	2.77	-51.32
CCCOCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615955	0	40	-1.0	-55.97	326.67	3.56	-52.41
CCCOCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615955	1	40	-1.0	-55.95	326.74	3.55	-52.40
CO[C@@H]1C[C@@]2(C(=O)N3CCSCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004615956	0	36	-1.0	-58.82	297.37	2.72	-56.10
CO[C@@H]1C[C@@]2(C(=O)N3CCSCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004615956	1	36	-1.0	-58.84	297.44	2.73	-56.11
CC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CCCO1	REAL250004615957	0	38	-1.0	-49.75	295.07	3.59	-46.16
CC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CCCO1	REAL250004615957	1	38	-1.0	-49.76	295.13	3.61	-46.15
O=C(CC1CC2(CC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615958	0	38	-1.0	-53.86	308.42	5.40	-48.46
O=C(CC1CC2(CC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615958	1	38	-1.0	-53.87	308.49	5.40	-48.47
CCC(C)CC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615959	0	42	-1.0	-52.72	317.57	4.95	-47.77
CCC(C)CC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615959	1	42	-1.0	-52.73	317.64	4.96	-47.77
O=C([C@H]1CC1(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615960	0	28	-1.0	-54.75	249.49	2.87	-51.88
O=C([C@H]1CC1(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615960	1	28	-1.0	-54.82	249.57	2.87	-51.95
C[C@@H]1C[C@@]2(C(=O)N3CCSCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004615961	0	35	-1.0	-54.48	285.35	4.40	-50.08
C[C@@H]1C[C@@]2(C(=O)N3CCSCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004615961	1	35	-1.0	-54.46	285.42	4.42	-50.04
O=C([C@@H]1CCC(=O)O1)N1CCSCC1C1=N[N-]N=N1	REAL250004615962	0	31	-1.0	-67.21	262.78	2.94	-64.27
O=C([C@@H]1CCC(=O)O1)N1CCSCC1C1=NN=N[N-]1	REAL250004615962	1	31	-1.0	-67.16	262.85	2.94	-64.22
O=C(C(F)C1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615963	0	34	-1.0	-51.77	279.58	3.95	-47.82
O=C(C(F)C1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615963	1	34	-1.0	-51.73	279.64	3.95	-47.78
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC(C1)OC2	REAL250004615964	0	33	-1.0	-50.81	266.31	1.45	-49.36
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC(C1)OC2	REAL250004615964	1	33	-1.0	-50.85	266.38	1.46	-49.39
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615965	0	33	-1.0	-47.53	283.60	-0.21	-47.74
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615965	1	33	-1.0	-47.56	283.67	-0.21	-47.77
C[C@H]1C(C(=O)N2CCSCC2C2=N[N-]N=N2)[C@H]1C	REAL250004615966	0	34	-1.0	-53.42	275.50	3.99	-49.43
C[C@H]1C(C(=O)N2CCSCC2C2=NN=N[N-]2)[C@H]1C	REAL250004615966	1	34	-1.0	-53.43	275.57	4.00	-49.43
C[C@@H]1OCC[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615967	0	35	-1.0	-55.12	276.33	2.24	-52.88
C[C@@H]1OCC[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615967	1	35	-1.0	-55.17	276.39	2.24	-52.93
O=C([C@@H]1CC1(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615968	0	28	-1.0	-55.33	249.84	2.88	-52.45
O=C([C@@H]1CC1(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615968	1	28	-1.0	-55.36	249.91	2.89	-52.47
O=C([C@@H]1C[C@@H]1C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL250004615969	0	31	-1.0	-53.41	264.95	3.65	-49.76
O=C([C@@H]1C[C@@H]1C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL250004615969	1	31	-1.0	-53.44	265.02	3.65	-49.79
CC(C)(C#N)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615970	0	37	-1.0	-59.57	304.16	4.05	-55.52
CC(C)(C#N)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615970	1	37	-1.0	-59.58	304.23	4.04	-55.54
[N-]=[N+]=NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615971	0	26	-1.0	-52.98	237.25	-2.15	-55.13
[N-]=[N+]=NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615971	1	26	-1.0	-52.98	237.32	-2.15	-55.13
[N-]=[N+]=NCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615972	0	29	-1.0	-47.49	258.28	-1.43	-48.92
[N-]=[N+]=NCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615972	1	29	-1.0	-47.49	258.35	-1.43	-48.92
[N-]=[N+]=NCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615973	0	32	-1.0	-54.90	279.78	-0.63	-55.53
[N-]=[N+]=NCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615973	1	32	-1.0	-54.95	279.85	-0.63	-55.58
CNC(=O)NC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615974	0	36	-1.0	-47.09	300.91	-0.86	-47.95
CNC(=O)NC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615974	1	36	-1.0	-47.13	300.97	-0.85	-47.98
CNC(=O)N[C@@H](C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615975	0	36	-1.0	-47.60	300.59	-1.10	-48.70
CNC(=O)N[C@@H](C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615975	1	36	-1.0	-47.60	300.67	-1.08	-48.68
CNC(=O)N[C@H](C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615976	0	36	-1.0	-47.90	296.71	-1.19	-49.09
CNC(=O)N[C@H](C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615976	1	36	-1.0	-47.91	296.78	-1.19	-49.10
CC(C)(F)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615977	0	36	-1.0	-51.03	293.68	4.06	-46.97
CC(C)(F)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615977	1	36	-1.0	-51.03	293.75	4.05	-46.98
O=C(CN1C=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615978	0	30	-1.0	-61.35	263.21	3.74	-57.61
O=C(CN1C=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615978	1	30	-1.0	-61.37	263.14	3.75	-57.62
CCC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615980	0	35	-1.0	-63.48	291.10	3.16	-60.32
CCC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615980	1	35	-1.0	-63.47	291.17	3.15	-60.32
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SN=C1	REAL250004615981	0	30	-1.0	-48.46	267.19	2.27	-46.19
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SN=C1	REAL250004615981	1	30	-1.0	-48.48	267.13	2.29	-46.19
C#CCOCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615982	0	30	-1.0	-59.35	268.51	2.68	-56.67
C#CCOCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615982	1	30	-1.0	-59.35	268.57	2.68	-56.67
C#C[C@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615983	0	30	-1.0	-55.13	261.11	3.84	-51.29
C#C[C@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615983	1	30	-1.0	-55.17	261.18	3.83	-51.34
O=C([C@H]1CC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615984	0	29	-1.0	-58.06	252.62	-1.45	-59.51
O=C([C@H]1CC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615984	1	29	-1.0	-58.05	252.69	-1.46	-59.51
O=C(C1=COC(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL250004615985	0	28	-1.0	-51.86	260.11	2.60	-49.26
O=C(C1=COC(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL250004615985	1	28	-1.0	-51.83	260.18	2.61	-49.22
O=C(C1C2C3CC1CC32)N1CCSCC1C1=N[N-]N=N1	REAL250004615986	0	36	-1.0	-55.33	281.81	4.67	-50.66
O=C(C1C2C3CC1CC32)N1CCSCC1C1=NN=N[N-]1	REAL250004615986	1	36	-1.0	-55.29	281.88	4.67	-50.62
O=C(C=CC1CCC1)N1CCSCC1C1=N[N-]N=N1	REAL250004615987	0	35	-1.0	-53.18	289.08	4.62	-48.56
O=C(C=CC1CCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615987	1	35	-1.0	-53.26	289.15	4.63	-48.63
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1C	REAL250004615988	0	35	-1.0	-55.96	287.99	4.02	-51.94
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1C	REAL250004615988	1	35	-1.0	-55.95	288.07	4.02	-51.93
O=C(CC1=CN=NS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615989	0	29	-1.0	-55.05	266.91	1.58	-53.47
O=C(CC1=CN=NS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615989	1	29	-1.0	-55.04	266.98	1.57	-53.47
CC1=COC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C12	REAL250004615990	0	35	-1.0	-52.11	302.64	4.37	-47.74
CC1=COC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C12	REAL250004615990	1	35	-1.0	-52.14	302.70	4.38	-47.76
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNC(=O)C=C2C1	REAL250004615991	0	35	-1.0	-51.03	295.00	1.23	-49.80
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNC(=O)C=C2C1	REAL250004615991	1	35	-1.0	-51.02	295.06	1.25	-49.77
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004615992	0	35	-1.0	-47.97	298.17	2.56	-45.41
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004615992	1	35	-1.0	-47.93	298.23	2.57	-45.36
C#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCO1	REAL250004615993	0	35	-1.0	-37.80	310.48	1.82	-35.98
C#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCO1	REAL250004615993	1	35	-1.0	-37.79	310.55	1.82	-35.97
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004615994	0	38	-1.0	-46.46	300.36	4.81	-41.65
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004615994	1	38	-1.0	-46.48	300.42	4.83	-41.65
CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004615995	0	38	-1.0	-36.02	303.31	4.95	-31.07
CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004615995	1	38	-1.0	-35.98	303.38	4.96	-31.02
N#CC1(CNC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004615996	0	37	-1.0	-50.65	328.11	0.81	-49.84
N#CC1(CNC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004615996	1	37	-1.0	-50.72	328.17	0.82	-49.90
C=CCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004615997	0	32	-1.0	-38.78	272.28	5.78	-33.00
C=CCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004615997	1	32	-1.0	-38.61	272.37	5.80	-32.81
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C#N)C1	REAL250004615998	0	35	-1.0	-54.60	288.45	1.19	-53.41
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C#N)C1	REAL250004615998	1	35	-1.0	-54.59	288.51	1.20	-53.39
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C#N)C1	REAL250004615999	0	35	-1.0	-38.80	295.93	1.45	-37.35
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C#N)C1	REAL250004615999	1	35	-1.0	-38.76	296.00	1.46	-37.30
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=CN=C2C1	REAL250004616000	0	36	-1.0	-55.22	300.16	3.08	-52.14
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=CN=C2C1	REAL250004616000	1	36	-1.0	-55.20	300.22	3.10	-52.10
CC(C)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616001	0	44	-1.0	-46.37	319.01	5.35	-41.02
CC(C)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616001	1	44	-1.0	-46.39	319.07	5.37	-41.02
CN(CC1(O)CCCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004616002	0	45	-1.0	-46.54	327.73	3.66	-42.88
CN(CC1(O)CCCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004616002	1	45	-1.0	-46.54	327.79	3.68	-42.86
C=C(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616003	0	32	-1.0	-52.04	278.35	4.56	-47.48
C=C(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616003	1	32	-1.0	-51.82	278.41	4.58	-47.24
CSCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004616004	0	38	-1.0	-47.47	328.40	4.02	-43.45
CSCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004616004	1	38	-1.0	-47.42	328.46	4.04	-43.38
CCOC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616005	0	38	-1.0	-54.80	316.59	5.20	-49.60
CCOC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616005	1	38	-1.0	-54.81	316.65	5.21	-49.60
CC1C(=O)N(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616006	0	36	-1.0	-54.03	293.42	2.35	-51.68
CC1C(=O)N(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616006	1	36	-1.0	-54.05	293.48	2.37	-51.68
CC1(C)C(O)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004616007	0	36	-1.0	-49.89	292.00	-0.11	-50.00
CC1(C)C(O)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004616007	1	36	-1.0	-49.87	292.06	-0.09	-49.96
CC1(C)C(O)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616008	0	36	-1.0	-36.33	303.45	-0.35	-36.68
CC1(C)C(O)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616008	1	36	-1.0	-36.29	303.52	-0.35	-36.64
COC(=O)[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616009	0	38	-1.0	-51.54	311.37	4.21	-47.33
COC(=O)[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616009	1	38	-1.0	-51.60	311.43	4.23	-47.37
O=C(NOCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616010	0	30	-1.0	-60.05	268.67	1.36	-58.69
O=C(NOCCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616010	1	30	-1.0	-59.84	268.74	1.38	-58.46
O=C(NOCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616011	0	27	-1.0	-39.70	254.51	-1.73	-41.43
O=C(NOCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616011	1	27	-1.0	-39.71	254.58	-1.73	-41.44
CCOC[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616012	0	38	-1.0	-51.47	317.90	4.39	-47.08
CCOC[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616012	1	38	-1.0	-51.73	318.39	4.37	-47.36
CCOC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616013	0	35	-1.0	-35.94	304.16	1.25	-34.69
CCOC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616013	1	35	-1.0	-35.90	304.23	1.26	-34.64
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOC2=O	REAL250004616014	0	36	-1.0	-53.52	292.47	3.92	-49.60
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOC2=O	REAL250004616014	1	36	-1.0	-53.57	292.52	3.93	-49.64
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@H]1O	REAL250004616015	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@H]1O	REAL250004616015	1	36	-1.0	-49.78	292.38	-0.11	-49.89
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616016	0	36	-1.0	-38.00	302.92	-0.33	-38.33
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616016	1	36	-1.0	-37.98	302.98	-0.30	-38.28
CC(C)(O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616017	0	38	-1.0	-56.36	313.81	2.13	-54.23
CC(C)(O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616017	1	38	-1.0	-56.16	313.88	2.15	-54.01
CC(C)(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616018	0	35	-1.0	-37.01	299.64	-1.00	-38.01
CC(C)(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616018	1	35	-1.0	-36.93	299.71	-0.99	-37.92
CCOC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616019	0	38	-1.0	-47.34	328.74	3.54	-43.80
CCOC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616019	1	38	-1.0	-47.34	328.79	3.56	-43.78
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCCC1	REAL250004616020	0	39	-1.0	-49.25	310.23	0.71	-48.54
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCCC1	REAL250004616020	1	39	-1.0	-49.27	310.28	0.73	-48.54
O=C(CCCC1=N[N-]N=N1)N1CCN2N=CN=C2C1	REAL250004616021	0	32	-1.0	-48.77	271.46	3.47	-45.30
O=C(CCCC1=NN=N[N-]1)N1CCN2N=CN=C2C1	REAL250004616021	1	32	-1.0	-48.78	271.52	3.48	-45.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2N=CN=C2C1	REAL250004616022	0	32	-1.0	-38.41	278.73	3.70	-34.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2N=CN=C2C1	REAL250004616022	1	32	-1.0	-38.40	278.79	3.71	-34.69
CC(C)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004616023	0	42	-1.0	-47.90	331.40	3.92	-43.98
CC(C)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004616023	1	42	-1.0	-47.94	331.46	3.93	-44.01
CC(C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616024	0	47	-1.0	-47.50	348.03	5.33	-42.17
CC(C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616024	1	47	-1.0	-47.48	348.09	5.34	-42.14
C[C@H](O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616025	0	41	-1.0	-48.88	317.56	-0.61	-49.49
C[C@H](O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616025	1	41	-1.0	-48.92	317.62	-0.60	-49.52
CCN(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004616026	0	35	-1.0	-47.15	296.23	1.03	-46.12
CCN(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004616026	1	35	-1.0	-47.14	296.29	1.05	-46.09
CCN(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616027	0	35	-1.0	-40.53	306.83	0.82	-39.71
CCN(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616027	1	35	-1.0	-40.51	306.89	0.83	-39.68
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C2(CC2)C1	REAL250004616028	0	40	-1.0	-47.40	322.54	6.92	-40.48
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C2(CC2)C1	REAL250004616028	1	40	-1.0	-47.38	322.60	6.94	-40.44
CCC1C(=O)N(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616029	0	42	-1.0	-50.80	324.43	3.80	-47.00
CCC1C(=O)N(CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616029	1	42	-1.0	-50.82	324.49	3.81	-47.01
CC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004616030	0	34	-1.0	-46.57	291.57	2.22	-44.35
CC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004616030	1	34	-1.0	-46.54	291.63	2.23	-44.31
CC1=CN=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616031	0	34	-1.0	-36.37	302.13	2.25	-34.12
CC1=CN=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616031	1	34	-1.0	-36.40	302.20	2.26	-34.14
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN(C)C=C1	REAL250004616033	0	35	-1.0	-55.15	294.58	6.28	-48.87
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN(C)C=C1	REAL250004616033	1	35	-1.0	-54.99	294.68	6.30	-48.69
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=C1	REAL250004616034	0	32	-1.0	-39.84	280.44	4.17	-35.67
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=C1	REAL250004616034	1	32	-1.0	-39.90	280.37	4.15	-35.75
CCN(CC(O)C(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004616035	0	35	-1.0	-46.32	303.82	2.06	-44.26
CCN(CC(O)C(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004616035	1	35	-1.0	-46.36	303.88	2.07	-44.29
CCC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004616036	0	34	-1.0	-47.31	300.85	2.72	-44.59
CCC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004616036	1	34	-1.0	-47.35	300.91	2.74	-44.61
CN1N=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004616038	0	30	-1.0	-49.63	269.26	-0.51	-50.14
CN1N=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004616038	1	30	-1.0	-49.65	269.32	-0.50	-50.15
CN1N=NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616039	0	30	-1.0	-41.01	278.93	-0.76	-41.77
CN1N=NN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616039	1	30	-1.0	-40.97	279.00	-0.75	-41.72
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=C1F	REAL250004616040	0	32	-1.0	-46.48	301.39	4.02	-42.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1F	REAL250004616040	1	32	-1.0	-46.54	301.45	4.03	-42.51
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C1)CCCC2	REAL250004616041	0	39	-1.0	-55.98	312.12	6.88	-49.10
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(C1)CCCC2	REAL250004616041	1	39	-1.0	-55.83	312.16	6.90	-48.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCC2	REAL250004616042	0	36	-1.0	-36.87	299.74	4.38	-32.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCC2	REAL250004616042	1	36	-1.0	-36.83	299.81	4.39	-32.44
O=C(CCCC1=N[N-]N=N1)NOC1CCOCC1	REAL250004616043	0	34	-1.0	-51.44	286.07	1.84	-49.60
O=C(CCCC1=NN=N[N-]1)NOC1CCOCC1	REAL250004616043	1	34	-1.0	-51.49	286.12	1.86	-49.63
O=C(NOC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616044	0	34	-1.0	-37.00	296.66	1.63	-35.37
O=C(NOC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616044	1	34	-1.0	-36.99	296.73	1.64	-35.35
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C(C(N)=O)C1	REAL250004616045	0	39	-1.0	-48.53	309.25	0.94	-47.59
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C(C(N)=O)C1	REAL250004616045	1	39	-1.0	-48.52	309.31	0.95	-47.57
O=C(CCCC1=N[N-]N=N1)N1CCCC(OCC2CC2)C1	REAL250004616046	0	43	-1.0	-48.16	342.75	5.14	-43.02
O=C(CCCC1=NN=N[N-]1)N1CCCC(OCC2CC2)C1	REAL250004616046	1	43	-1.0	-48.19	342.81	5.15	-43.04
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCOC2)C1	REAL250004616047	0	38	-1.0	-48.26	299.05	1.12	-47.14
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCOC2)C1	REAL250004616047	1	38	-1.0	-48.31	299.11	1.14	-47.17
CCC1C(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616048	0	38	-1.0	-47.78	297.16	4.73	-43.05
CCC1C(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616048	1	38	-1.0	-47.80	297.22	4.75	-43.05
CCC1C(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616049	0	38	-1.0	-36.60	297.27	4.77	-31.83
CCC1C(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616049	1	38	-1.0	-36.58	297.34	4.77	-31.81
COC1=CC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004616050	0	33	-1.0	-45.83	297.74	3.31	-42.52
COC1=CC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004616050	1	33	-1.0	-45.81	297.79	3.33	-42.48
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC2(CC2)C1	REAL250004616051	0	39	-1.0	-53.68	310.68	7.41	-46.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC2(CC2)C1	REAL250004616051	1	39	-1.0	-53.62	310.84	7.48	-46.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CC2)C1	REAL250004616052	0	36	-1.0	-35.34	296.03	5.14	-30.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CC2)C1	REAL250004616052	1	36	-1.0	-35.29	296.10	5.16	-30.13
CCC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616053	0	42	-1.0	-51.62	317.34	2.29	-49.33
CCC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616053	1	42	-1.0	-51.63	317.40	2.30	-49.33
C=CC(COC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616054	0	36	-1.0	-51.35	309.68	3.87	-47.48
C=CC(COC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616054	1	36	-1.0	-51.17	309.75	3.90	-47.27
C=CC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616055	0	33	-1.0	-35.59	295.53	0.77	-34.82
C=CC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616055	1	33	-1.0	-35.58	295.60	0.78	-34.80
CC(C)[C@@H](C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616056	0	35	-1.0	-55.60	302.36	5.36	-50.24
CC(C)[C@@H](C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616056	1	35	-1.0	-54.40	302.84	5.34	-49.06
CC(C)[C@@H](C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616057	0	32	-1.0	-37.43	288.63	2.22	-35.21
CC(C)[C@@H](C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616057	1	32	-1.0	-37.45	288.69	2.22	-35.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004616058	0	32	-1.0	-45.38	288.23	3.39	-41.99
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004616058	1	32	-1.0	-45.37	288.28	3.41	-41.96
COC(=O)C1CC(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616059	0	41	-1.0	-54.31	326.99	5.76	-48.55
COC(=O)C1CC(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616059	1	41	-1.0	-54.33	327.05	5.78	-48.55
O=C(CCCC1=N[N-]N=N1)NCC1=NN=NN1CC1CC1	REAL250004616060	0	37	-1.0	-47.70	321.82	1.88	-45.82
O=C(CCCC1=NN=N[N-]1)NCC1=NN=NN1CC1CC1	REAL250004616060	1	37	-1.0	-47.72	321.88	1.90	-45.82
CN(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004616061	0	35	-1.0	-47.49	306.98	1.34	-46.15
CN(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004616061	1	35	-1.0	-47.49	307.04	1.36	-46.13
O=C(CCCC1=N[N-]N=N1)NC1=C2NC=CC2=CC=C1	REAL250004616062	0	33	-1.0	-50.50	284.39	3.39	-47.11
O=C(CCCC1=NN=N[N-]1)NC1=C2NC=CC2=CC=C1	REAL250004616062	1	33	-1.0	-50.48	284.45	3.41	-47.07
CC(CO)(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004616063	0	45	-1.0	-45.53	333.88	1.56	-43.97
CC(CO)(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004616063	1	45	-1.0	-45.49	333.94	1.57	-43.92
CCOC1CC(NC(=O)CCCC2=N[N-]N=N2)C1OC	REAL250004616064	0	40	-1.0	-46.19	333.60	1.09	-45.10
CCOC1CC(NC(=O)CCCC2=NN=N[N-]2)C1OC	REAL250004616064	1	40	-1.0	-46.24	333.66	1.10	-45.14
COCC(C)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004616065	0	39	-1.0	-48.17	328.23	2.54	-45.63
COCC(C)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004616065	1	39	-1.0	-48.16	328.17	2.53	-45.63
O=C(CCCC1=N[N-]N=N1)NOC1CCCCC1	REAL250004616066	0	36	-1.0	-49.88	295.13	4.23	-45.65
O=C(CCCC1=NN=N[N-]1)NOC1CCCCC1	REAL250004616066	1	36	-1.0	-49.90	295.20	4.24	-45.66
O=C(NOC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616067	0	36	-1.0	-35.94	305.73	4.02	-31.92
O=C(NOC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616067	1	36	-1.0	-35.89	305.79	4.03	-31.86
CC(C)(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004616068	0	39	-1.0	-47.33	304.06	2.10	-45.23
CC(C)(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004616068	1	39	-1.0	-47.33	304.12	2.11	-45.22
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1O	REAL250004616069	1	30	-1.0	-46.46	284.94	1.25	-45.21
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1O	REAL250004616069	1	30	-1.0	-46.49	285.00	1.26	-45.23
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004616070	0	33	-1.0	-47.09	287.41	2.79	-44.30
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004616070	1	33	-1.0	-47.10	287.47	2.80	-44.30
CC=CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004616071	0	36	-1.0	-46.22	305.62	0.31	-45.91
CC=CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004616071	1	36	-1.0	-46.25	305.68	0.32	-45.93
CC=CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616072	0	36	-1.0	-36.80	316.21	0.10	-36.70
CC=CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616072	1	36	-1.0	-36.76	316.28	0.12	-36.64
CN1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004616073	0	33	-1.0	-58.74	282.36	0.55	-58.19
CN1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004616073	1	33	-1.0	-58.78	282.42	0.57	-58.21
CN1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004616074	0	33	-1.0	-44.77	292.79	0.36	-44.41
CN1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004616074	1	33	-1.0	-44.78	292.86	0.36	-44.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC1CCO	REAL250004616075	0	39	-1.0	-48.03	310.65	0.97	-47.06
O=C(CCCC1=NN=N[N-]1)NC1CCCC1CCO	REAL250004616075	1	39	-1.0	-48.04	310.70	0.98	-47.06
CC(CO)N(CC1CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004616077	0	42	-1.0	-49.47	325.93	2.72	-46.75
CC(CO)N(CC1CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004616077	1	42	-1.0	-49.51	325.99	2.73	-46.78
CC(C)CC1OCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004616078	0	45	-1.0	-47.98	351.74	3.88	-44.10
CC(C)CC1OCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004616078	1	45	-1.0	-47.99	351.79	3.89	-44.10
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1O	REAL250004616079	0	36	-1.0	-49.14	287.67	0.93	-48.21
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1O	REAL250004616079	1	36	-1.0	-49.13	287.73	0.94	-48.19
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1O	REAL250004616080	0	36	-1.0	-36.39	295.32	1.16	-35.23
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1O	REAL250004616080	1	36	-1.0	-36.39	295.39	1.17	-35.22
O=C(CCCC1=N[N-]N=N1)N1CC(O)C2(CC2)C1	REAL250004616081	0	34	-1.0	-50.76	285.66	0.75	-50.01
O=C(CCCC1=NN=N[N-]1)N1CC(O)C2(CC2)C1	REAL250004616081	1	34	-1.0	-50.77	285.72	0.76	-50.01
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)C2(CC2)C1	REAL250004616082	0	34	-1.0	-36.21	291.51	1.15	-35.06
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)C2(CC2)C1	REAL250004616082	1	34	-1.0	-36.20	291.58	1.17	-35.03
CC(C1CC1)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004616083	0	39	-1.0	-52.35	327.03	4.03	-48.32
CC(C1CC1)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004616083	1	39	-1.0	-52.38	326.97	4.02	-48.36
CCOC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004616084	0	37	-1.0	-51.47	320.22	1.11	-50.36
CCOC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004616084	1	37	-1.0	-51.50	320.28	1.13	-50.37
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CS1	REAL250004616085	0	35	-1.0	-51.99	306.61	3.74	-48.25
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CS1	REAL250004616085	1	35	-1.0	-51.99	306.67	3.76	-48.23
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CO1	REAL250004616086	0	36	-1.0	-45.81	305.19	-0.31	-46.12
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CO1	REAL250004616086	1	36	-1.0	-45.87	305.25	-0.30	-46.17
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C(F)F)CC1	REAL250004616087	0	36	-1.0	-48.11	296.75	1.27	-46.84
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C(F)F)CC1	REAL250004616087	1	36	-1.0	-48.10	296.80	1.29	-46.81
COC(=O)C1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616088	0	38	-1.0	-49.13	308.91	4.99	-44.14
COC(=O)C1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616088	1	38	-1.0	-49.14	308.97	5.01	-44.13
NC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004616089	0	29	-1.0	-49.00	264.50	-6.21	-55.21
NC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004616089	1	29	-1.0	-49.03	264.56	-6.19	-55.22
NC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004616090	0	29	-1.0	-39.71	275.09	-6.41	-46.12
NC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004616090	1	29	-1.0	-39.70	275.16	-6.40	-46.10
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1=O	REAL250004616091	0	42	-1.0	-52.34	328.46	3.84	-48.50
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1=O	REAL250004616091	1	42	-1.0	-52.38	328.52	3.86	-48.52
C#CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616092	0	30	-1.0	-51.98	270.28	4.64	-47.34
C#CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616092	1	30	-1.0	-51.75	270.35	4.66	-47.09
COCC1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616093	0	37	-1.0	-46.87	301.44	3.48	-43.39
COCC1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616093	1	37	-1.0	-46.90	301.50	3.50	-43.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2SN=CC2=C1	REAL250004616094	0	31	-1.0	-49.42	284.77	3.55	-45.87
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2SN=CC2=C1	REAL250004616094	1	31	-1.0	-49.37	284.72	3.54	-45.83
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(=O)C2	REAL250004616095	0	35	-1.0	-48.20	284.60	3.85	-44.35
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(=O)C2	REAL250004616095	1	35	-1.0	-48.15	284.66	3.86	-44.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CC(=O)C2	REAL250004616096	0	35	-1.0	-36.12	291.76	4.10	-32.02
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CC(=O)C2	REAL250004616096	1	35	-1.0	-36.05	291.83	4.10	-31.95
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)O1	REAL250004616097	0	34	-1.0	-48.13	302.58	-1.93	-50.06
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)O1	REAL250004616097	1	34	-1.0	-48.15	302.64	-1.92	-50.07
CC(O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004616098	1	44	-1.0	-48.12	332.04	0.03	-48.09
CC(O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004616098	1	44	-1.0	-48.14	332.10	0.05	-48.09
CCOC(=O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004616099	0	41	-1.0	-49.44	335.54	5.12	-44.32
CCOC(=O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004616099	1	41	-1.0	-49.46	335.60	5.13	-44.33
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1	REAL250004616100	0	35	-1.0	-49.46	290.19	1.79	-47.67
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1	REAL250004616100	1	35	-1.0	-49.44	290.24	1.81	-47.63
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004616101	0	35	-1.0	-38.43	303.51	1.23	-37.20
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004616101	1	35	-1.0	-38.43	303.58	1.23	-37.20
CC(CCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004616102	0	38	-1.0	-46.90	313.54	4.56	-42.34
CC(CCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004616102	1	38	-1.0	-46.93	313.60	4.57	-42.36
CC(CCC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616103	0	38	-1.0	-35.55	324.13	4.35	-31.20
CC(CCC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616103	1	38	-1.0	-35.56	324.20	4.37	-31.19
CCC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004616104	0	34	-1.0	-47.46	297.98	-0.19	-47.65
CCC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004616104	1	34	-1.0	-47.47	298.04	-0.17	-47.64
CCC1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004616105	0	34	-1.0	-37.68	308.57	-0.40	-38.08
CCC1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004616105	1	34	-1.0	-37.63	308.64	-0.39	-38.02
C=CCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616106	0	38	-1.0	-53.02	321.23	6.23	-46.79
C=CCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616106	1	38	-1.0	-52.76	321.29	6.25	-46.51
C=CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616107	0	35	-1.0	-35.09	307.07	3.14	-31.95
C=CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616107	1	35	-1.0	-35.08	307.14	3.15	-31.93
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC[C@@H]1O	REAL250004616108	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC[C@@H]1O	REAL250004616108	1	36	-1.0	-49.81	292.38	-0.11	-49.92
O=C(N[C@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616109	0	36	-1.0	-38.01	302.92	-0.33	-38.34
O=C(N[C@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616109	1	36	-1.0	-38.00	302.98	-0.31	-38.31
CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616110	0	36	-1.0	-50.34	292.02	1.01	-49.33
CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616110	1	36	-1.0	-50.37	292.07	1.03	-49.34
CCC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004616111	0	36	-1.0	-37.95	298.86	1.16	-36.79
CCC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004616111	1	36	-1.0	-37.92	298.93	1.16	-36.76
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004616113	0	41	-1.0	-45.59	328.48	4.15	-41.44
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004616113	1	41	-1.0	-45.62	328.54	4.17	-41.45
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C(Cl)S1	REAL250004616114	0	28	-1.0	-45.58	280.98	1.25	-44.33
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C(Cl)S1	REAL250004616114	1	28	-1.0	-45.58	280.92	1.23	-44.35
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004616115	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004616115	1	36	-1.0	-48.42	306.75	4.91	-43.51
O=C(CCCC1=N[N-]N=N1)N1CC2COCC(C1)O2	REAL250004616116	0	35	-1.0	-49.22	277.60	2.08	-47.14
O=C(CCCC1=NN=N[N-]1)N1CC2COCC(C1)O2	REAL250004616116	1	35	-1.0	-49.25	277.66	2.09	-47.16
CC1=CC(Cl)=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004616117	0	34	-1.0	-48.17	312.43	2.72	-45.45
CC1=CC(Cl)=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004616117	1	34	-1.0	-48.19	312.48	2.73	-45.46
COCCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004616118	0	39	-1.0	-48.62	337.16	1.20	-47.42
COCCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004616118	1	39	-1.0	-48.63	337.10	1.19	-47.44
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCOC1	REAL250004616119	0	34	-1.0	-48.64	283.77	-2.48	-51.12
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCOC1	REAL250004616119	1	34	-1.0	-48.65	283.83	-2.47	-51.12
O=C(NCC1(O)CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616120	0	34	-1.0	-37.15	294.15	-2.65	-39.80
O=C(NCC1(O)CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616120	1	34	-1.0	-37.16	294.22	-2.65	-39.81
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004616121	1	40	-1.0	-46.44	301.96	2.28	-44.16
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004616121	1	40	-1.0	-46.48	302.01	2.29	-44.19
O=C(CCCC1=N[N-]N=N1)NC(CO)CN1CCOCC1	REAL250004616122	0	42	-1.0	-46.65	337.84	-3.21	-49.86
O=C(CCCC1=NN=N[N-]1)NC(CO)CN1CCOCC1	REAL250004616122	1	42	-1.0	-46.63	337.90	-3.19	-49.82
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004616123	0	34	-1.0	-47.77	291.50	2.92	-44.85
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004616123	1	34	-1.0	-47.75	291.56	2.94	-44.81
COC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616124	0	36	-1.0	-51.32	292.22	2.52	-48.80
COC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616124	1	36	-1.0	-51.31	292.27	2.53	-48.78
COC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004616125	0	36	-1.0	-37.78	299.75	2.92	-34.86
COC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004616125	1	36	-1.0	-37.77	299.81	2.94	-34.83
C#CCN(CC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004616126	0	31	-1.0	-48.43	284.92	6.14	-42.29
C#CCN(CC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004616126	1	31	-1.0	-48.27	285.02	6.16	-42.11
C#CCN(CC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616127	0	28	-1.0	-40.45	269.99	4.32	-36.13
C#CCN(CC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616127	1	28	-1.0	-40.44	270.08	4.34	-36.10
CC1(C)SCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004616128	0	33	-1.0	-47.10	281.53	2.74	-44.36
CC1(C)SCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004616128	1	33	-1.0	-47.11	281.59	2.75	-44.36
CC1(C)SCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616129	0	33	-1.0	-34.42	292.12	2.54	-31.88
CC1(C)SCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616129	1	33	-1.0	-34.37	292.19	2.54	-31.83
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C2NC=CC2=C1	REAL250004616130	0	39	-1.0	-51.73	331.95	4.29	-47.44
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C2NC=CC2=C1	REAL250004616130	1	39	-1.0	-51.72	332.01	4.30	-47.42
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H](OC(F)F)C1	REAL250004616131	0	33	-1.0	-48.78	288.04	2.20	-46.58
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H](OC(F)F)C1	REAL250004616131	1	33	-1.0	-48.87	288.10	2.22	-46.65
O=C(CCCC1=N[N-]N=N1)NN1CCCC2=CC=CC=C21	REAL250004616132	0	38	-1.0	-50.85	311.58	5.22	-45.63
O=C(CCCC1=NN=N[N-]1)NN1CCCC2=CC=CC=C21	REAL250004616132	1	38	-1.0	-50.88	311.64	5.23	-45.65
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CN=C2C1	REAL250004616133	0	32	-1.0	-47.86	276.67	3.21	-44.65
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CN=C2C1	REAL250004616133	1	32	-1.0	-47.85	276.73	3.23	-44.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CC=CN=C2C1	REAL250004616134	0	32	-1.0	-39.03	283.75	3.34	-35.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=CN=C2C1	REAL250004616134	1	32	-1.0	-38.96	283.81	3.34	-35.62
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC2=CC=CN=C21	REAL250004616135	0	37	-1.0	-54.33	317.13	5.70	-48.63
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC2=CC=CN=C21	REAL250004616135	1	37	-1.0	-54.33	317.07	5.69	-48.64
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004616136	0	34	-1.0	-46.93	292.97	2.73	-44.20
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004616136	1	34	-1.0	-46.96	293.03	2.74	-44.22
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004616137	0	34	-1.0	-38.37	303.56	2.53	-35.84
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004616137	1	34	-1.0	-38.35	303.62	2.54	-35.81
CSCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004616138	0	35	-1.0	-49.15	303.50	4.59	-44.56
CSCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004616138	1	35	-1.0	-49.17	303.56	4.60	-44.57
CSCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616139	0	35	-1.0	-37.65	311.19	4.98	-32.67
CSCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616139	1	35	-1.0	-37.58	311.26	5.01	-32.57
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2=CC=CC=C2)C1	REAL250004616140	0	42	-1.0	-48.06	344.30	6.03	-42.03
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2=CC=CC=C2)C1	REAL250004616140	1	42	-1.0	-48.08	344.36	6.04	-42.04
CCC1=CC=CC(C)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004616141	0	40	-1.0	-46.68	325.47	5.56	-41.12
CCC1=CC=CC(C)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004616141	1	40	-1.0	-46.67	325.53	5.57	-41.10
COC1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004616142	0	39	-1.0	-48.27	305.22	3.19	-45.08
COC1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004616142	1	39	-1.0	-48.29	305.27	3.20	-45.09
CCN(CCOCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004616143	0	39	-1.0	-47.45	321.84	0.52	-46.93
CCN(CCOCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004616143	1	39	-1.0	-47.46	321.90	0.54	-46.92
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCOCC2	REAL250004616144	0	43	-1.0	-48.17	326.23	3.35	-44.82
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCOCC2	REAL250004616144	1	43	-1.0	-48.19	326.29	3.36	-44.83
CCC(CC)(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004616145	0	41	-1.0	-46.80	311.62	0.74	-46.06
CCC(CC)(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004616145	1	41	-1.0	-46.79	311.67	0.75	-46.04
O=C(CCCC1=N[N-]N=N1)N1CCCC(C(F)(F)F)C1	REAL250004616146	0	35	-1.0	-47.72	294.34	4.51	-43.21
O=C(CCCC1=NN=N[N-]1)N1CCCC(C(F)(F)F)C1	REAL250004616146	1	35	-1.0	-47.71	294.40	4.52	-43.19
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004616147	0	39	-1.0	-47.27	306.67	4.28	-42.99
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004616147	1	39	-1.0	-47.27	306.73	4.29	-42.98
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1Cl	REAL250004616148	0	35	-1.0	-47.30	307.43	5.03	-42.27
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1Cl	REAL250004616148	1	35	-1.0	-47.26	307.48	5.05	-42.21
CS(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616149	0	34	-1.0	-51.56	302.36	0.43	-51.13
CS(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616149	1	34	-1.0	-51.55	302.42	0.45	-51.10
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004616150	0	45	-1.0	-47.26	347.93	3.27	-43.99
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004616150	1	45	-1.0	-47.29	347.99	3.29	-44.00
CC1(C(N)=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616151	0	36	-1.0	-59.27	298.39	0.02	-59.25
CC1(C(N)=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616151	1	36	-1.0	-59.29	298.44	0.03	-59.26
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCOC2)O1	REAL250004616152	0	41	-1.0	-47.77	320.26	1.90	-45.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCOC2)O1	REAL250004616152	1	41	-1.0	-47.75	320.32	1.91	-45.84
NC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616153	0	33	-1.0	-54.46	285.05	-0.49	-54.95
NC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616153	1	33	-1.0	-54.48	285.10	-0.48	-54.96
NC(=O)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004616154	0	33	-1.0	-46.08	293.00	-0.56	-46.64
NC(=O)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004616154	1	33	-1.0	-46.03	293.07	-0.55	-46.58
CCN(CC1CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004616155	0	38	-1.0	-46.77	305.91	5.60	-41.17
CCN(CC1CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004616155	1	38	-1.0	-46.78	305.97	5.62	-41.16
CCN(CC1CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616156	0	38	-1.0	-35.66	310.43	6.26	-29.40
CCN(CC1CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616156	1	38	-1.0	-35.66	310.50	6.27	-29.39
COCCN1CN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004616157	0	37	-1.0	-48.08	316.44	1.80	-46.28
COCCN1CN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004616157	1	37	-1.0	-48.09	316.50	1.81	-46.28
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1=CC=CC=C1	REAL250004616158	0	35	-1.0	-52.08	304.02	1.73	-50.35
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1=CC=CC=C1	REAL250004616158	1	35	-1.0	-52.13	304.08	1.74	-50.39
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1=CC=CC=C1	REAL250004616159	0	35	-1.0	-52.08	304.02	1.73	-50.35
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1=CC=CC=C1	REAL250004616159	1	35	-1.0	-52.13	304.08	1.74	-50.39
O=C(CCCC1=N[N-]N=N1)NNC(=O)NC1=CC=NC=C1	REAL250004616160	0	34	-1.0	-52.78	299.18	-0.04	-52.82
O=C(CCCC1=NN=N[N-]1)NNC(=O)NC1=CC=NC=C1	REAL250004616160	1	34	-1.0	-52.80	299.23	-0.03	-52.83
COCCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616161	0	43	-1.0	-51.17	344.74	2.83	-48.34
COCCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616161	1	43	-1.0	-51.23	344.80	2.84	-48.39
CC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004616162	0	38	-1.0	-46.26	298.70	3.56	-42.70
CC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004616162	1	38	-1.0	-46.27	298.75	3.57	-42.70
CC1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616163	0	38	-1.0	-34.70	315.42	3.59	-31.11
CC1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616163	1	38	-1.0	-34.67	315.49	3.60	-31.07
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004616164	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004616164	1	38	-1.0	-50.65	322.36	3.62	-47.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)N=C1	REAL250004616165	0	32	-1.0	-50.17	291.30	0.80	-49.37
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)N=C1	REAL250004616165	1	32	-1.0	-50.13	291.24	0.79	-49.34
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(F)(F)C1	REAL250004616166	0	38	-1.0	-46.80	312.29	4.00	-42.80
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(F)(F)C1	REAL250004616166	1	38	-1.0	-46.82	312.35	4.01	-42.81
CS(=O)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004616167	0	35	-1.0	-61.10	303.73	0.30	-60.80
CS(=O)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004616167	1	35	-1.0	-61.06	303.79	0.32	-60.74
CNC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004616168	0	35	-1.0	-53.44	306.16	2.86	-50.58
CNC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004616168	1	35	-1.0	-53.46	306.22	2.88	-50.58
O=C(CCCC1=N[N-]N=N1)NCCCC1=NN=CN1	REAL250004616169	0	34	-1.0	-54.25	296.08	2.43	-51.82
O=C(CCCC1=NN=N[N-]1)NCCCC1=NN=CN1	REAL250004616169	1	34	-1.0	-54.25	296.13	2.45	-51.80
O=C(NCCCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616170	0	34	-1.0	-44.94	306.67	2.25	-42.69
O=C(NCCCC1=NN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616170	1	34	-1.0	-44.90	306.74	2.24	-42.66
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]1C1=CC=CN=C1	REAL250004616171	0	35	-1.0	-50.76	301.63	3.12	-47.64
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]1C1=CC=CN=C1	REAL250004616171	1	35	-1.0	-50.82	301.57	3.10	-47.72
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)C=C1C	REAL250004616172	0	39	-1.0	-48.95	320.35	4.26	-44.69
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)C=C1C	REAL250004616172	1	39	-1.0	-48.94	320.41	4.27	-44.67
CO[C@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004616173	0	39	-1.0	-48.69	313.69	2.22	-46.47
CO[C@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004616173	1	39	-1.0	-48.67	313.75	2.24	-46.43
O=C(CCCC1=N[N-]N=N1)NCC1CNC(=O)O1	REAL250004616174	0	31	-1.0	-54.82	272.50	-2.43	-57.25
O=C(CCCC1=NN=N[N-]1)NCC1CNC(=O)O1	REAL250004616174	1	31	-1.0	-54.82	272.56	-2.42	-57.24
O=C(NCC1CNC(=O)O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616175	0	31	-1.0	-45.86	283.08	-2.62	-48.48
O=C(NCC1CNC(=O)O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616175	1	31	-1.0	-45.84	283.15	-2.62	-48.46
CCSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004616176	0	35	-1.0	-46.56	306.87	3.35	-43.21
CCSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004616176	1	35	-1.0	-46.57	306.93	3.36	-43.21
CCSCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004616177	0	35	-1.0	-35.98	317.46	3.14	-32.84
CCSCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004616177	1	35	-1.0	-35.88	317.53	3.15	-32.73
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)(F)CC1	REAL250004616178	0	38	-1.0	-48.93	312.29	4.01	-44.92
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)(F)CC1	REAL250004616178	1	38	-1.0	-48.95	312.34	4.02	-44.93
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NO1	REAL250004616179	0	33	-1.0	-41.09	275.97	0.01	-41.08
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NO1	REAL250004616179	1	33	-1.0	-41.05	276.04	0.02	-41.03
O=C(C1=CC=CC(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616180	0	34	-1.0	-42.82	284.45	1.36	-41.46
O=C(C1=CC=CC(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616180	1	34	-1.0	-42.81	284.52	1.36	-41.45
CC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616181	0	37	-1.0	-42.13	298.29	1.93	-40.20
CC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616181	1	37	-1.0	-42.15	298.35	1.93	-40.22
CCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616182	0	34	-1.0	-43.34	277.38	-0.31	-43.65
CCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616182	1	34	-1.0	-43.30	277.44	-0.31	-43.61
O=C(C1=CC=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616183	0	33	-1.0	-43.31	272.57	0.41	-42.90
O=C(C1=CC=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616183	1	33	-1.0	-43.38	272.50	0.40	-42.98
O=C(C1CC2C=CC1C2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616184	0	39	-1.0	-39.99	298.15	1.91	-38.08
O=C(C1CC2C=CC1C2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616184	1	39	-1.0	-40.00	298.22	1.90	-38.10
CC(C)=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616185	0	34	-1.0	-40.22	271.11	0.60	-39.62
CC(C)=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616185	1	34	-1.0	-40.24	271.17	0.60	-39.64
O=C(C1=COCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616186	0	34	-1.0	-41.69	280.77	-1.57	-43.26
O=C(C1=COCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616186	1	34	-1.0	-41.72	280.84	-1.56	-43.28
O=C(C1=CNC(=O)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616187	0	34	-1.0	-42.87	286.85	-1.65	-44.52
O=C(C1=CNC(=O)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616187	1	34	-1.0	-42.90	286.92	-1.65	-44.55
O=C(C1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616188	0	34	-1.0	-41.18	276.89	1.26	-39.92
O=C(C1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616188	1	34	-1.0	-41.18	276.96	1.26	-39.92
CC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616189	0	36	-1.0	-40.19	281.03	0.71	-39.48
CC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616189	1	36	-1.0	-40.18	281.09	0.71	-39.47
O=C(C1CCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616190	0	40	-1.0	-40.29	304.14	1.76	-38.53
O=C(C1CCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616190	1	40	-1.0	-40.27	304.20	1.77	-38.50
CC(=O)NCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616191	0	37	-1.0	-49.97	303.59	-2.34	-52.31
CC(=O)NCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616191	1	37	-1.0	-49.97	303.65	-2.34	-52.31
CC(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616192	0	39	-1.0	-40.35	303.37	1.39	-38.96
CC(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616192	1	39	-1.0	-40.32	303.43	1.40	-38.92
O=C(C1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616193	0	35	-1.0	-43.40	275.52	-0.28	-43.68
O=C(C1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616193	1	35	-1.0	-43.36	275.58	-0.27	-43.63
CSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616194	0	31	-1.0	-42.36	265.86	-0.19	-42.55
CSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616194	1	31	-1.0	-42.33	265.93	-0.18	-42.51
CSCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616195	0	34	-1.0	-39.63	287.53	0.58	-39.05
CSCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616195	1	34	-1.0	-39.62	287.60	0.58	-39.04
CC(C)(C)SCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616196	0	40	-1.0	-41.78	322.20	1.81	-39.97
CC(C)(C)SCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616196	1	40	-1.0	-41.81	322.26	1.82	-39.99
O=C(C1=CC=[N+]([O-])C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616197	0	34	-1.0	-48.29	285.82	-0.05	-48.34
O=C(C1=CC=[N+]([O-])C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616197	1	34	-1.0	-48.26	285.89	-0.05	-48.31
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616198	0	34	-1.0	-40.32	281.52	0.48	-39.84
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616198	1	34	-1.0	-40.32	281.58	0.48	-39.84
N#CC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616199	0	35	-1.0	-42.26	298.94	1.68	-40.58
N#CC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616199	1	35	-1.0	-42.23	299.00	1.68	-40.55
O=C(CC1CCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616200	0	43	-1.0	-40.41	322.68	2.60	-37.81
O=C(CC1CCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616200	1	43	-1.0	-40.41	322.74	2.61	-37.80
CC(=O)NC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616201	0	37	-1.0	-41.89	299.57	-2.40	-44.29
CC(=O)NC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616201	1	37	-1.0	-41.94	299.64	-2.40	-44.34
CC(NC(N)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616202	0	36	-1.0	-42.62	292.51	-5.17	-47.79
CC(NC(N)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616202	1	36	-1.0	-42.67	292.57	-5.17	-47.84
O=C(C1=NNC(=O)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616203	0	33	-1.0	-39.96	280.41	-2.87	-42.83
O=C(C1=NNC(=O)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616203	1	33	-1.0	-39.96	280.47	-2.87	-42.83
CC(=O)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616204	0	35	-1.0	-41.18	287.50	0.02	-41.16
CC(=O)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616204	1	35	-1.0	-41.22	287.56	0.02	-41.20
O=C(C1=CC=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616205	0	31	-1.0	-40.58	267.44	0.26	-40.32
O=C(C1=CC=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616205	1	31	-1.0	-40.59	267.51	0.27	-40.32
CC1=CN=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616206	0	35	-1.0	-42.19	288.92	-0.87	-43.06
CC1=CN=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616206	1	35	-1.0	-42.19	288.98	-0.87	-43.06
O=C(CC1=CSC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616207	0	34	-1.0	-41.50	292.80	1.26	-40.24
O=C(CC1=CSC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616207	1	34	-1.0	-41.52	292.86	1.27	-40.25
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL250004616208	0	37	-1.0	-41.67	299.49	1.97	-39.70
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL250004616208	1	37	-1.0	-41.74	299.56	1.98	-39.76
O=C(C1=CC=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616209	0	31	-1.0	-40.82	259.32	-0.46	-41.28
O=C(C1=CC=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616209	1	31	-1.0	-40.84	259.38	-0.46	-41.30
CC(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616210	0	34	-1.0	-41.68	281.18	-3.02	-44.70
CC(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616210	1	34	-1.0	-41.69	281.24	-3.01	-44.70
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SC=C1	REAL250004616211	0	34	-1.0	-40.64	287.58	0.99	-39.65
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)SC=C1	REAL250004616211	1	34	-1.0	-40.60	287.64	0.99	-39.61
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL250004616212	0	34	-1.0	-40.60	289.25	1.06	-39.54
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL250004616212	1	34	-1.0	-40.57	289.31	1.06	-39.51
O=C(C=CC1=CC=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616213	0	35	-1.0	-41.85	294.23	0.99	-40.86
O=C(C=CC1=CC=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616213	1	35	-1.0	-41.86	294.29	1.00	-40.86
O=C(C1=CC=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616214	0	34	-1.0	-46.20	282.25	1.34	-44.86
O=C(C1=CC=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616214	1	34	-1.0	-46.21	282.31	1.34	-44.87
O=C(C1CCC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616215	0	35	-1.0	-44.92	283.84	-2.87	-47.79
O=C(C1CCC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616215	1	35	-1.0	-44.96	283.91	-2.87	-47.83
CC1CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616216	0	34	-1.0	-40.18	268.70	0.78	-39.40
CC1CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616216	1	34	-1.0	-40.22	268.77	0.78	-39.44
CC=CC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616217	0	35	-1.0	-41.18	290.47	1.35	-39.83
CC=CC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616217	1	35	-1.0	-41.21	290.53	1.35	-39.86
O=C(C1=CC=C[N+]([O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616218	0	34	-1.0	-56.54	285.12	-0.08	-56.62
O=C(C1=CC=C[N+]([O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616218	1	34	-1.0	-56.57	285.18	-0.07	-56.64
N#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL250004616219	0	35	-1.0	-42.37	297.70	1.64	-40.73
N#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL250004616219	1	35	-1.0	-42.34	297.76	1.65	-40.69
O=C(C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616220	0	34	-1.0	-40.58	268.66	0.55	-40.03
O=C(C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616220	1	34	-1.0	-40.60	268.72	0.56	-40.04
O=C(C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616221	0	37	-1.0	-40.25	282.02	1.02	-39.23
O=C(C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616221	1	37	-1.0	-40.19	282.09	1.03	-39.16
CC1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616222	0	37	-1.0	-41.41	298.02	1.95	-39.46
CC1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616222	1	37	-1.0	-41.43	298.08	1.95	-39.48
O=C(CCC1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616223	0	43	-1.0	-40.32	329.44	2.74	-37.58
O=C(CCC1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616223	1	43	-1.0	-40.32	329.50	2.75	-37.57
O=C(C1=CC=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616224	0	33	-1.0	-41.18	272.88	-0.46	-41.64
O=C(C1=CC=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616224	1	33	-1.0	-41.15	272.82	-0.46	-41.61
O=C(C1=CC=C(F)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616225	0	34	-1.0	-40.16	284.52	1.37	-38.79
O=C(C1=CC=C(F)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616225	1	34	-1.0	-40.17	284.58	1.37	-38.80
O=C(C1=CC=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616226	0	33	-1.0	-41.06	272.70	-0.56	-41.62
O=C(C1=CC=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616226	1	33	-1.0	-41.09	272.64	-0.56	-41.65
O=C(CC1=CC=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616227	0	34	-1.0	-41.46	293.06	1.43	-40.03
O=C(CC1=CC=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616227	1	34	-1.0	-41.45	293.13	1.43	-40.02
O=C(C1CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616228	0	38	-1.0	-40.26	294.45	-0.64	-40.90
O=C(C1CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616228	1	38	-1.0	-40.27	294.51	-0.64	-40.91
O=C(CC1C=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616229	0	38	-1.0	-40.79	298.64	1.87	-38.92
O=C(CC1C=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616229	1	38	-1.0	-40.83	298.70	1.88	-38.95
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CO1	REAL250004616230	0	34	-1.0	-40.56	280.24	0.21	-40.35
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CO1	REAL250004616230	1	34	-1.0	-40.55	280.30	0.21	-40.34
O=C(C1=CSC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616231	0	31	-1.0	-41.54	267.52	0.22	-41.32
O=C(C1=CSC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616231	1	31	-1.0	-41.54	267.58	0.22	-41.32
O=C(CN1CCCC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616232	0	38	-1.0	-50.66	307.87	-0.06	-50.72
O=C(CN1CCCC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616232	1	38	-1.0	-50.68	307.93	-0.05	-50.73
CC(=O)CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616233	0	38	-1.0	-49.19	309.00	0.80	-48.39
CC(=O)CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616233	1	38	-1.0	-49.19	309.06	0.80	-48.39
O=C(CN1C=NN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616234	0	32	-1.0	-54.98	271.66	-1.17	-56.15
O=C(CN1C=NN=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616234	1	32	-1.0	-54.99	271.60	-1.18	-56.17
CC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616235	0	33	-1.0	-38.81	276.02	-0.49	-39.30
CC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616235	1	33	-1.0	-38.85	276.08	-0.48	-39.33
CC1=NOC(C)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616236	0	36	-1.0	-40.05	302.13	0.43	-39.62
CC1=NOC(C)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616236	1	36	-1.0	-40.08	302.20	0.44	-39.64
CN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616237	0	34	-1.0	-43.07	280.70	-0.97	-44.04
CN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616237	1	34	-1.0	-43.04	280.64	-0.98	-44.02
NC(=O)NCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616238	0	36	-1.0	-50.36	296.53	-5.14	-55.50
NC(=O)NCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616238	1	36	-1.0	-50.39	296.59	-5.14	-55.53
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SN=N1	REAL250004616239	0	32	-1.0	-38.50	277.86	-1.49	-39.99
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)SN=N1	REAL250004616239	1	32	-1.0	-38.50	277.92	-1.48	-39.98
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1C	REAL250004616240	0	38	-1.0	-41.88	299.91	1.21	-40.67
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1C	REAL250004616240	1	38	-1.0	-41.89	299.97	1.22	-40.67
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC=C1	REAL250004616241	0	34	-1.0	-41.22	277.72	0.34	-40.88
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC=C1	REAL250004616241	1	34	-1.0	-41.24	277.78	0.35	-40.89
O=C(C1=COC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616242	0	31	-1.0	-43.27	259.63	-0.60	-43.87
O=C(C1=COC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616242	1	31	-1.0	-43.25	259.69	-0.60	-43.85
O=C(C1CC=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616243	0	38	-1.0	-39.91	295.63	1.66	-38.25
O=C(C1CC=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616243	1	38	-1.0	-39.89	295.70	1.67	-38.22
O=C(CCC1=CC=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616244	0	37	-1.0	-41.57	304.99	1.24	-40.33
O=C(CCC1=CC=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616244	1	37	-1.0	-41.54	305.05	1.24	-40.30
O=C(C1=CC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616245	0	32	-1.0	-42.99	262.17	-0.36	-43.35
O=C(C1=CC=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616245	1	32	-1.0	-43.03	262.23	-0.36	-43.39
O=C(C1=CC(Cl)=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616246	0	32	-1.0	-42.14	279.24	0.16	-41.98
O=C(C1=CC(Cl)=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616246	1	32	-1.0	-42.18	279.30	0.16	-42.02
N#CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004616247	0	38	-1.0	-42.03	298.58	0.80	-41.23
N#CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004616247	1	38	-1.0	-42.02	298.65	0.80	-41.22
O=C(C1=CN=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616248	0	32	-1.0	-42.17	267.36	-1.47	-43.64
O=C(C1=CN=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616248	1	32	-1.0	-42.19	267.30	-1.47	-43.66
O=C(CN1C=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616249	0	34	-1.0	-47.13	283.09	-0.29	-47.42
O=C(CN1C=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616249	1	34	-1.0	-47.12	283.03	-0.30	-47.42
O=C(CC1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616250	0	40	-1.0	-40.44	306.29	1.98	-38.46
O=C(CC1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616250	1	40	-1.0	-40.49	306.35	1.98	-38.51
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004616251	0	37	-1.0	-41.09	302.64	1.04	-40.05
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004616251	1	37	-1.0	-41.02	302.71	1.05	-39.97
CCOC(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616252	0	38	-1.0	-41.08	314.16	-2.69	-43.77
CCOC(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616252	1	38	-1.0	-41.12	314.23	-2.68	-43.80
CCC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616253	0	37	-1.0	-39.90	302.98	1.26	-38.64
CCC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616253	1	37	-1.0	-39.89	303.05	1.26	-38.63
O=C(C1=CC=C(Cl)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616254	0	31	-1.0	-38.05	276.64	0.27	-37.78
O=C(C1=CC=C(Cl)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616254	1	31	-1.0	-38.03	276.70	0.28	-37.75
O=C(C1CC2CCC1C2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616255	0	41	-1.0	-40.51	304.13	2.00	-38.51
O=C(C1CC2CCC1C2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616255	1	41	-1.0	-40.52	304.19	2.01	-38.51
CC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616256	0	36	-1.0	-40.10	270.75	-0.07	-40.17
CC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616256	1	36	-1.0	-40.04	270.82	-0.07	-40.11
O=C(CC1=CC=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616257	0	36	-1.0	-43.44	297.72	0.55	-42.89
O=C(CC1=CC=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616257	1	36	-1.0	-43.47	297.78	0.55	-42.92
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616258	0	36	-1.0	-41.11	293.45	0.01	-41.10
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616258	1	36	-1.0	-41.10	293.51	0.02	-41.08
CN1C=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616259	0	35	-1.0	-42.01	282.16	0.74	-41.27
CN1C=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616259	1	35	-1.0	-42.03	282.22	0.75	-41.28
CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616260	0	36	-1.0	-40.54	285.80	0.89	-39.65
CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616260	1	36	-1.0	-40.57	285.86	0.89	-39.68
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004616261	0	37	-1.0	-42.81	299.65	-0.45	-43.26
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004616261	1	37	-1.0	-42.78	299.71	-0.45	-43.23
CCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616262	0	39	-1.0	-40.53	307.30	1.67	-38.86
CCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616262	1	39	-1.0	-40.53	307.36	1.67	-38.86
CC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616263	0	39	-1.0	-39.40	296.02	1.22	-38.18
CC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616263	1	39	-1.0	-39.40	296.09	1.23	-38.17
O=C(CCN1C=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616264	0	36	-1.0	-43.34	300.04	1.73	-41.61
O=C(CCN1C=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616264	1	36	-1.0	-43.37	299.98	1.73	-41.64
O=C(CNC(=O)C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616265	0	38	-1.0	-41.41	312.31	-1.44	-42.85
O=C(CNC(=O)C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616265	1	38	-1.0	-41.37	312.38	-1.44	-42.81
CCCCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616266	0	40	-1.0	-42.00	330.32	2.28	-39.72
CCCCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616266	1	40	-1.0	-42.04	330.39	2.29	-39.75
CCCCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616267	0	45	-1.0	-40.50	350.29	3.23	-37.27
CCCCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616267	1	45	-1.0	-40.47	350.36	3.23	-37.24
CCCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616268	0	42	-1.0	-40.56	328.79	2.45	-38.11
CCCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616268	1	42	-1.0	-40.52	328.86	2.45	-38.07
O=C(CCN1C=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616269	0	37	-1.0	-42.20	305.29	0.30	-41.90
O=C(CCN1C=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616269	1	37	-1.0	-42.15	305.22	0.29	-41.86
O=C(C1=CC=CNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616270	0	34	-1.0	-51.03	281.63	-1.67	-52.70
O=C(C1=CC=CNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616270	1	34	-1.0	-51.05	281.70	-1.67	-52.72
CC(C)SCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616271	0	37	-1.0	-42.01	305.63	1.33	-40.68
CC(C)SCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616271	1	37	-1.0	-41.99	305.69	1.33	-40.66
CC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616272	0	36	-1.0	-42.97	294.10	0.97	-42.00
CC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616272	1	36	-1.0	-43.03	294.17	0.98	-42.05
O=C(C1=CC=CC=C1O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616273	0	35	-1.0	-44.23	286.55	-0.53	-44.76
O=C(C1=CC=CC=C1O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616273	1	35	-1.0	-44.21	286.61	-0.53	-44.74
CCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616274	0	36	-1.0	-39.02	279.77	0.46	-38.56
CCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616274	1	36	-1.0	-39.02	279.83	0.46	-38.56
N#CCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616275	0	32	-1.0	-48.80	286.68	0.45	-48.35
N#CCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616275	1	32	-1.0	-48.77	286.74	0.45	-48.32
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004616276	0	37	-1.0	-45.99	300.21	-0.04	-46.03
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004616276	1	37	-1.0	-45.99	300.14	-0.05	-46.04
CCC1=NNC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616277	0	37	-1.0	-43.94	299.90	-0.94	-44.88
CCC1=NNC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616277	1	37	-1.0	-43.94	299.96	-0.94	-44.88
O=C(CN1C=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616278	0	33	-1.0	-50.86	277.86	1.14	-49.72
O=C(CN1C=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616278	1	33	-1.0	-50.84	277.80	1.14	-49.70
O=C(CC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616279	0	34	-1.0	-40.74	273.75	0.88	-39.86
O=C(CC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616279	1	34	-1.0	-40.75	273.81	0.88	-39.87
CC(C)OCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616280	0	40	-1.0	-39.96	318.60	0.12	-39.84
CC(C)OCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616280	1	40	-1.0	-39.95	318.66	0.13	-39.82
CCC1=NNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616281	0	37	-1.0	-39.95	300.21	-0.52	-40.47
CCC1=NNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616281	1	37	-1.0	-39.94	300.28	-0.52	-40.46
O=C(C1COCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616282	0	36	-1.0	-42.43	283.10	-1.52	-43.95
O=C(C1COCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616282	1	36	-1.0	-42.42	283.17	-1.52	-43.94
COC(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616283	0	33	-1.0	-47.62	274.75	0.30	-47.32
COC(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616283	1	33	-1.0	-47.63	274.81	0.30	-47.33
O=C(CCC1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616284	0	41	-1.0	-41.58	320.80	0.46	-41.12
O=C(CCC1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616284	1	41	-1.0	-41.61	320.86	0.46	-41.15
O=C(C1=NNC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616285	0	31	-1.0	-43.92	258.13	-1.62	-45.54
O=C(C1=NNC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616285	1	31	-1.0	-43.94	258.19	-1.62	-45.56
O=C(C1=CC=NN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616285	1	31	-1.0	-40.07	256.84	-1.85	-41.92
O=C(C1=CC=NN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616285	1	31	-1.0	-40.08	256.90	-1.85	-41.93
CC(=O)N(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616286	0	37	-1.0	-50.52	299.08	-0.70	-51.22
CC(=O)N(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616286	1	37	-1.0	-50.52	299.14	-0.69	-51.21
CCC(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616287	0	39	-1.0	-39.88	300.21	1.15	-38.73
CCC(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616287	1	39	-1.0	-39.88	300.28	1.15	-38.73
CN1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1=O	REAL250004616288	0	38	-1.0	-42.74	301.16	-0.99	-43.73
CN1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1=O	REAL250004616288	1	38	-1.0	-42.73	301.23	-0.99	-43.72
CC1=NNC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616289	0	34	-1.0	-44.20	279.42	-1.65	-45.85
CC1=NNC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616289	1	34	-1.0	-44.21	279.49	-1.65	-45.86
O=C(C1=CSN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616290	0	29	-1.0	-40.94	257.33	-1.76	-42.70
O=C(C1=CSN=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616290	1	29	-1.0	-40.91	257.27	-1.76	-42.67
CCCCC(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616291	0	45	-1.0	-39.95	336.82	2.45	-37.50
CCCCC(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616291	1	45	-1.0	-39.96	336.88	2.45	-37.51
COC(=O)N(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616292	0	38	-1.0	-49.32	313.05	-0.72	-50.04
COC(=O)N(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616292	1	38	-1.0	-49.32	313.12	-0.72	-50.04
CCC(=O)NC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616293	0	40	-1.0	-41.66	319.75	-1.59	-43.25
CCC(=O)NC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616293	1	40	-1.0	-41.67	319.81	-1.58	-43.25
O=C(C1=CC=CC=[N+]1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616294	0	34	-1.0	-68.58	281.69	1.17	-67.41
O=C(C1=CC=CC=[N+]1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616294	1	34	-1.0	-68.56	281.75	1.18	-67.38
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SC=N1	REAL250004616295	0	33	-1.0	-41.05	282.55	-0.92	-41.97
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)SC=N1	REAL250004616295	1	33	-1.0	-41.03	282.61	-0.92	-41.95
CCOCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616296	0	40	-1.0	-43.03	319.82	0.14	-42.89
CCOCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616296	1	40	-1.0	-43.01	319.89	0.15	-42.86
O=C(COCC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616297	0	38	-1.0	-43.58	309.07	1.26	-42.32
O=C(COCC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616297	1	38	-1.0	-43.60	309.14	1.27	-42.33
O=C(CC1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616298	0	38	-1.0	-43.94	298.93	0.36	-43.58
O=C(CC1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616298	1	38	-1.0	-43.92	299.00	0.36	-43.56
CC1=CNC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616299	0	35	-1.0	-46.27	285.59	-0.12	-46.39
CC1=CNC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616299	1	35	-1.0	-46.25	285.65	-0.12	-46.37
CSC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616300	0	34	-1.0	-41.65	281.22	0.20	-41.45
CSC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616300	1	34	-1.0	-41.66	281.28	0.20	-41.46
CCOC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616301	0	37	-1.0	-42.97	293.92	0.15	-42.82
CCOC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616301	1	37	-1.0	-42.98	293.98	0.16	-42.82
O=C(C1=CNN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616302	0	31	-1.0	-42.30	257.55	-2.29	-44.59
O=C(C1=CNN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616302	1	31	-1.0	-42.30	257.49	-2.29	-44.59
CCOC(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616303	0	36	-1.0	-47.39	296.61	1.21	-46.18
CCOC(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616303	1	36	-1.0	-47.40	296.67	1.22	-46.18
CC(C)(C#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616304	0	34	-1.0	-42.71	274.61	-0.45	-43.16
CC(C)(C#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616304	1	34	-1.0	-42.71	274.68	-0.44	-43.15
O=C(C1CCC(=O)NC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616306	0	38	-1.0	-42.89	301.08	-2.24	-45.13
O=C(C1CCC(=O)NC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616306	1	38	-1.0	-42.91	301.14	-2.23	-45.14
COCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616307	0	37	-1.0	-42.96	297.97	-0.82	-43.78
COCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616307	1	37	-1.0	-42.96	298.04	-0.82	-43.78
CC(F)(F)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616308	0	36	-1.0	-39.72	296.91	1.01	-38.71
CC(F)(F)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616308	1	36	-1.0	-39.71	296.98	1.02	-38.69
O=C(COC1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616309	0	41	-1.0	-43.15	322.43	1.72	-41.43
O=C(COC1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616309	1	41	-1.0	-43.12	322.49	1.73	-41.39
CC1=NC=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616310	0	35	-1.0	-39.53	288.28	-0.12	-39.65
CC1=NC=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616310	1	35	-1.0	-39.55	288.35	-0.12	-39.67
C=CCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616311	0	35	-1.0	-42.30	300.14	1.27	-41.03
C=CCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616311	1	35	-1.0	-42.25	300.20	1.27	-40.98
CCOC1CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616312	0	38	-1.0	-44.21	305.69	1.31	-42.90
CCOC1CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616312	1	38	-1.0	-44.21	305.76	1.31	-42.90
CC1=NC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616313	0	35	-1.0	-40.43	289.35	0.13	-40.30
CC1=NC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616313	1	35	-1.0	-40.42	289.41	0.14	-40.28
CCSCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616314	0	37	-1.0	-39.57	309.00	1.46	-38.11
CCSCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616314	1	37	-1.0	-39.58	309.06	1.47	-38.11
COC(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616315	0	35	-1.0	-41.19	292.30	-3.61	-44.80
COC(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616315	1	35	-1.0	-41.21	292.37	-3.61	-44.82
O=C(C1=NSN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616316	0	29	-1.0	-38.66	256.33	-2.09	-40.75
O=C(C1=NSN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616316	1	29	-1.0	-38.66	256.26	-2.09	-40.75
O=C(C1=CN=NS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616317	0	29	-1.0	-38.88	256.89	-2.13	-41.01
O=C(C1=CN=NS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616317	1	29	-1.0	-38.90	256.83	-2.13	-41.03
CCCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616318	0	37	-1.0	-42.06	308.83	1.50	-40.56
CCCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616318	1	37	-1.0	-42.07	308.89	1.51	-40.56
CC(=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616319	0	38	-1.0	-40.26	299.51	2.06	-38.20
CC(=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616319	1	38	-1.0	-40.25	299.57	2.07	-38.18
O=C(C1=NOC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616320	0	30	-1.0	-42.10	253.81	-0.85	-42.95
O=C(C1=NOC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616320	1	30	-1.0	-42.12	253.75	-0.86	-42.98
O=C(C1=CN=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616321	0	30	-1.0	-41.14	262.33	-1.58	-42.72
O=C(C1=CN=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616321	1	30	-1.0	-41.15	262.27	-1.58	-42.73
CC1=NNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616322	0	34	-1.0	-39.95	278.80	-1.28	-41.23
CC1=NNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616322	1	34	-1.0	-39.96	278.86	-1.28	-41.24
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NN1	REAL250004616322	1	34	-1.0	-43.05	280.04	-1.06	-44.11
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NN1	REAL250004616322	1	34	-1.0	-42.98	280.11	-1.06	-44.04
CC1=CN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1	REAL250004616323	0	37	-1.0	-48.91	304.96	0.38	-48.53
CC1=CN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1	REAL250004616323	1	37	-1.0	-48.90	304.89	0.38	-48.52
O=C(C=C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616324	0	38	-1.0	-41.06	297.19	1.92	-39.14
O=C(C=C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616324	1	38	-1.0	-41.09	297.25	1.92	-39.17
COC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616325	0	34	-1.0	-42.94	272.06	-0.79	-43.73
COC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616325	1	34	-1.0	-42.95	272.13	-0.79	-43.74
CC1=NN(C)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616326	0	37	-1.0	-40.82	298.95	-0.36	-41.18
CC1=NN(C)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616326	1	37	-1.0	-40.82	299.01	-0.35	-41.17
CCC=C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616327	0	37	-1.0	-42.38	285.41	0.94	-41.44
CCC=C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616327	1	37	-1.0	-42.36	285.48	0.94	-41.42
CC(C)COC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616328	0	43	-1.0	-42.79	335.52	1.64	-41.15
CC(C)COC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616328	1	43	-1.0	-42.78	335.58	1.64	-41.14
CCCC(C)=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616329	0	40	-1.0	-40.12	314.59	2.16	-37.96
CCCC(C)=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616329	1	40	-1.0	-40.10	314.66	2.17	-37.93
CC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL250004616330	0	33	-1.0	-41.04	284.21	-0.87	-41.91
CC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL250004616330	1	33	-1.0	-41.10	284.27	-0.87	-41.97
CCOC(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616331	0	40	-1.0	-42.44	307.99	0.73	-41.71
CCOC(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616331	1	40	-1.0	-42.42	308.06	0.74	-41.68
O=C(C1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616332	0	35	-1.0	-41.95	272.71	-1.55	-43.50
O=C(C1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616332	1	35	-1.0	-41.92	272.78	-1.54	-43.46
O=C(C=C1CCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616333	0	41	-1.0	-40.02	312.27	2.39	-37.63
O=C(C=C1CCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616333	1	41	-1.0	-39.98	312.33	2.40	-37.58
CS(=O)(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616334	0	33	-1.0	-56.42	284.33	-3.62	-60.04
CS(=O)(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616334	1	33	-1.0	-56.42	284.39	-3.62	-60.04
CC(OCC1CC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616335	0	41	-1.0	-42.13	325.17	1.72	-40.41
CC(OCC1CC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616335	1	41	-1.0	-42.13	325.23	1.73	-40.40
COC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616336	0	34	-1.0	-42.94	272.06	-0.79	-43.73
COC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616336	1	34	-1.0	-42.95	272.13	-0.79	-43.74
CC(C)OCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616337	0	37	-1.0	-43.16	297.67	0.42	-42.74
CC(C)OCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616337	1	37	-1.0	-43.17	297.74	0.42	-42.75
CC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616338	0	40	-1.0	-39.73	310.71	2.16	-37.57
CC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616338	1	40	-1.0	-39.76	310.78	2.16	-37.60
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=CO1	REAL250004616339	0	33	-1.0	-42.14	272.40	-2.01	-44.15
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=CO1	REAL250004616339	1	33	-1.0	-42.15	272.34	-2.01	-44.16
C=CCCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616340	0	38	-1.0	-43.02	311.69	1.05	-41.97
C=CCCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616340	1	38	-1.0	-43.07	311.75	1.06	-42.01
O=C(C1=CC=NC(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616342	0	33	-1.0	-39.36	278.61	-0.55	-39.91
O=C(C1=CC=NC(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616342	1	33	-1.0	-39.36	278.55	-0.56	-39.92
CN1N=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616343	0	34	-1.0	-40.85	277.06	-0.94	-41.79
CN1N=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616343	1	34	-1.0	-40.84	277.00	-0.94	-41.78
COCCOCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616344	0	41	-1.0	-41.46	331.95	-1.36	-42.82
COCCOCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616344	1	41	-1.0	-41.46	332.02	-1.36	-42.82
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004616345	0	37	-1.0	-41.59	301.85	1.45	-40.14
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004616345	1	37	-1.0	-41.59	301.91	1.45	-40.14
O=C(CC(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616347	0	30	-1.0	-42.59	260.22	-0.24	-42.83
O=C(CC(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616347	1	30	-1.0	-42.57	260.29	-0.24	-42.81
O=C(C1CNC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616348	0	35	-1.0	-44.22	279.63	-3.27	-47.49
O=C(C1CNC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616348	1	35	-1.0	-44.21	279.69	-3.26	-47.47
CCCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616349	0	37	-1.0	-43.13	298.87	0.49	-42.64
CCCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616349	1	37	-1.0	-43.11	298.94	0.49	-42.62
CCCCOC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616350	0	43	-1.0	-42.79	336.91	1.73	-41.06
CCCCOC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616350	1	43	-1.0	-42.78	336.98	1.73	-41.05
CC(C)CCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616351	0	43	-1.0	-43.01	337.94	1.78	-41.23
CC(C)CCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616351	1	43	-1.0	-43.03	338.00	1.78	-41.25
COCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616352	0	40	-1.0	-41.32	319.47	-0.04	-41.36
COCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616352	1	40	-1.0	-41.30	319.53	-0.04	-41.34
NC(=O)CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616353	0	37	-1.0	-51.38	301.98	-3.05	-54.43
NC(=O)CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616353	1	37	-1.0	-51.39	302.04	-3.04	-54.43
C=CCCOC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616354	0	41	-1.0	-42.76	328.22	1.51	-41.25
C=CCCOC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616354	1	41	-1.0	-42.79	328.29	1.51	-41.28
CCC(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616356	0	37	-1.0	-40.50	292.84	0.02	-40.48
CCC(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616356	1	37	-1.0	-40.53	292.91	0.03	-40.50
O=C(CCN1C=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616357	0	37	-1.0	-42.40	304.72	1.89	-40.51
O=C(CCN1C=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616357	1	37	-1.0	-42.41	304.78	1.90	-40.51
CN1C=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616358	0	37	-1.0	-46.49	305.69	0.12	-46.37
CN1C=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616358	1	37	-1.0	-46.52	305.63	0.11	-46.41
CCC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616359	0	39	-1.0	-40.15	286.27	0.45	-39.70
CCC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616359	1	39	-1.0	-40.11	286.33	0.46	-39.65
O=C(C1CCCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616360	0	43	-1.0	-39.28	309.99	1.98	-37.30
O=C(C1CCCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616360	1	43	-1.0	-39.27	310.05	1.98	-37.29
COC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616361	0	37	-1.0	-41.53	295.61	-0.08	-41.61
COC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616361	1	37	-1.0	-41.54	295.67	-0.08	-41.62
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004616362	0	41	-1.0	-40.39	298.29	-0.73	-41.12
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004616362	1	41	-1.0	-40.41	298.35	-0.73	-41.14
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004616363	0	40	-1.0	-40.41	296.26	1.28	-39.13
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004616363	1	40	-1.0	-40.42	296.33	1.29	-39.13
CC(=O)NC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616364	0	40	-1.0	-37.67	306.73	-1.18	-38.85
CC(=O)NC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616364	1	40	-1.0	-37.68	306.80	-1.18	-38.86
CCCC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616365	0	42	-1.0	-40.09	320.75	2.13	-37.96
CCCC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616365	1	42	-1.0	-40.07	320.82	2.14	-37.93
C=CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616366	0	34	-1.0	-40.23	277.11	0.67	-39.56
C=CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616366	1	34	-1.0	-40.22	277.17	0.67	-39.55
CCOCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616367	0	37	-1.0	-39.92	298.33	-0.62	-40.54
CCOCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616367	1	37	-1.0	-39.91	298.39	-0.62	-40.53
CC(C)CC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616368	0	45	-1.0	-39.98	337.91	2.64	-37.34
CC(C)CC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616368	1	45	-1.0	-39.99	337.97	2.64	-37.35
CNC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616369	0	38	-1.0	-41.29	310.77	-2.05	-43.34
CNC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616369	1	38	-1.0	-41.29	310.83	-2.05	-43.34
COCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616370	0	34	-1.0	-39.92	276.47	-1.59	-41.51
COCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616370	1	34	-1.0	-39.91	276.54	-1.59	-41.50
O=C(C1CCCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616371	0	38	-1.0	-39.75	294.34	-0.63	-40.38
O=C(C1CCCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616371	1	38	-1.0	-39.75	294.40	-0.63	-40.38
NC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616372	0	35	-1.0	-39.96	288.73	-3.56	-43.52
NC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616372	1	35	-1.0	-39.96	288.79	-3.55	-43.51
O=C(C1=CSC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616373	0	30	-1.0	-43.14	262.34	-0.89	-44.03
O=C(C1=CSC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616373	1	30	-1.0	-43.13	262.28	-0.89	-44.02
CCNC(=O)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616374	0	40	-1.0	-42.33	323.90	-1.50	-43.83
CCNC(=O)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616374	1	40	-1.0	-42.31	323.96	-1.50	-43.81
NC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616375	0	38	-1.0	-39.19	299.90	-3.18	-42.37
NC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616375	1	38	-1.0	-39.17	299.97	-3.17	-42.34
O=C(C1=COCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616376	0	33	-1.0	-41.81	263.73	-1.11	-42.92
O=C(C1=COCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616376	1	33	-1.0	-41.81	263.79	-1.11	-42.92
CCC(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616377	0	37	-1.0	-41.39	301.77	-2.21	-43.60
CCC(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616377	1	37	-1.0	-41.38	301.84	-2.21	-43.59
O=C(C1=CNC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616378	0	32	-1.0	-44.16	262.37	-0.78	-44.94
O=C(C1=CNC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616378	1	32	-1.0	-44.19	262.43	-0.78	-44.97
CN(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616379	0	35	-1.0	-40.84	276.31	-2.39	-43.23
CN(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616379	1	35	-1.0	-40.81	276.38	-2.39	-43.20
CN1C=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616380	0	34	-1.0	-44.72	280.97	-0.29	-45.01
CN1C=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616380	1	34	-1.0	-44.71	280.91	-0.29	-45.00
COCCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616381	0	38	-1.0	-46.42	311.00	-1.07	-47.49
COCCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616381	1	38	-1.0	-46.43	311.07	-1.06	-47.49
CCCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616382	0	39	-1.0	-40.36	301.14	1.23	-39.13
CCCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616382	1	39	-1.0	-40.37	301.20	1.23	-39.14
CC1=NON=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616383	0	32	-1.0	-36.55	268.89	-0.83	-37.38
CC1=NON=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616383	1	32	-1.0	-36.52	268.95	-0.82	-37.34
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O=C(C1=CNC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616385	1	31	-1.0	-45.56	258.19	-0.26	-45.82
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C#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1	REAL250004616388	0	35	-1.0	-41.67	300.19	1.52	-40.15
C#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1	REAL250004616388	1	35	-1.0	-41.70	300.26	1.53	-40.17
O=C(CC1CCC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616389	0	38	-1.0	-49.18	304.24	-1.95	-51.13
O=C(CC1CCC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616389	1	38	-1.0	-49.15	304.31	-1.95	-51.10
O=C([C@H]1CCC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616390	0	35	-1.0	-47.14	283.59	-2.89	-50.03
O=C([C@H]1CCC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616390	1	35	-1.0	-47.19	283.65	-2.89	-50.08
COC(=O)NCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616392	0	38	-1.0	-47.33	314.43	-2.95	-50.28
COC(=O)NCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616392	1	38	-1.0	-47.25	314.49	-2.94	-50.19
O=C(C1=CC=C(F)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616393	0	33	-1.0	-39.76	278.76	-0.64	-40.40
O=C(C1=CC=C(F)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616393	1	33	-1.0	-39.74	278.70	-0.64	-40.38
CC(C#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616394	0	31	-1.0	-44.39	262.02	-0.51	-44.90
CC(C#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616394	1	31	-1.0	-44.40	262.09	-0.51	-44.91
C#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616396	0	35	-1.0	-42.41	299.19	0.48	-41.93
C#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616396	1	35	-1.0	-42.37	299.25	0.48	-41.89
O=C(CC1=CCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616397	0	41	-1.0	-40.84	318.70	2.55	-38.29
O=C(CC1=CCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616397	1	41	-1.0	-40.84	318.76	2.56	-38.28
CC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN1	REAL250004616398	0	34	-1.0	-44.83	280.10	-0.45	-45.28
CC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN1	REAL250004616398	1	34	-1.0	-44.87	280.16	-0.45	-45.32
CCC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004616399	0	45	-1.0	-39.32	329.12	2.45	-36.87
CCC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004616399	1	45	-1.0	-39.32	329.18	2.46	-36.86
COCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616400	0	37	-1.0	-39.25	294.35	-1.08	-40.33
COCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616400	1	37	-1.0	-39.22	294.42	-1.08	-40.30
CC(C)(C)CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616401	0	45	-1.0	-40.42	341.03	2.57	-37.85
CC(C)(C)CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616401	1	45	-1.0	-40.44	341.09	2.58	-37.86
C=CCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616402	0	35	-1.0	-43.55	290.28	0.26	-43.29
C=CCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616402	1	35	-1.0	-43.55	290.34	0.26	-43.29
CC1=NN(C)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616403	0	37	-1.0	-44.95	301.11	-0.33	-45.28
CC1=NN(C)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616403	1	37	-1.0	-44.98	301.17	-0.32	-45.30
CCN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616404	0	37	-1.0	-42.80	302.23	-0.10	-42.90
CCN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616404	1	37	-1.0	-42.85	302.17	-0.10	-42.95
CCCCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616405	0	40	-1.0	-43.16	320.37	1.27	-41.89
CCCCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616405	1	40	-1.0	-43.19	320.44	1.27	-41.92
CC(C)(C)C(=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616406	0	38	-1.0	-41.27	301.68	0.10	-41.17
CC(C)(C)C(=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616406	1	38	-1.0	-41.28	301.75	0.10	-41.18
CN1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616407	1	42	-1.0	-40.30	314.56	-0.71	-41.01
O=C(CC1CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616408	0	41	-1.0	-40.65	313.69	0.21	-40.44
O=C(CC1CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616408	1	41	-1.0	-40.62	313.75	0.22	-40.40
CC1=NC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616409	0	36	-1.0	-42.16	293.14	0.13	-42.03
CC1=NC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616409	1	36	-1.0	-42.16	293.21	0.14	-42.02
CSCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616410	0	37	-1.0	-38.97	304.27	0.96	-38.01
CSCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616410	1	37	-1.0	-38.92	304.33	0.97	-37.95
CC1=CC=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616411	0	36	-1.0	-40.67	293.21	0.11	-40.56
CC1=CC=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616411	1	36	-1.0	-40.71	293.27	0.12	-40.59
CC1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616412	0	43	-1.0	-38.70	314.64	2.09	-36.61
CC1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616412	1	43	-1.0	-38.72	314.70	2.09	-36.63
O=C(CCC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616413	0	37	-1.0	-40.60	295.94	1.67	-38.93
O=C(CCC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616413	1	37	-1.0	-40.61	296.00	1.67	-38.94
CC(C)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616414	0	39	-1.0	-39.44	297.74	1.03	-38.41
CC(C)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616414	1	39	-1.0	-39.48	297.80	1.04	-38.44
O=C(C1CCSCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616415	0	38	-1.0	-39.94	304.15	1.45	-38.49
O=C(C1CCSCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616415	1	38	-1.0	-39.98	304.22	1.45	-38.53
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004616416	0	42	-1.0	-40.28	301.18	1.18	-39.10
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004616416	1	42	-1.0	-40.28	301.24	1.19	-39.09
N#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1	REAL250004616417	0	34	-1.0	-41.59	293.85	0.73	-40.86
N#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1	REAL250004616417	1	34	-1.0	-41.59	293.78	0.73	-40.86
COC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616418	0	37	-1.0	-41.27	283.03	-1.09	-42.36
COC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616418	1	37	-1.0	-41.25	283.09	-1.09	-42.34
O=C(CC1=CC=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616419	0	36	-1.0	-44.54	297.67	0.53	-44.01
O=C(CC1=CC=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616419	1	36	-1.0	-44.54	297.74	0.54	-44.00
CC1=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NO1	REAL250004616421	0	36	-1.0	-46.72	299.00	0.51	-46.21
CC1=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NO1	REAL250004616421	1	36	-1.0	-46.73	299.07	0.51	-46.22
O=C(C1CC2CCC1O2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616422	0	39	-1.0	-44.38	297.29	-0.40	-44.78
O=C(C1CC2CCC1O2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616422	1	39	-1.0	-44.40	297.34	-0.40	-44.80
NC1=NC=CN=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616423	0	34	-1.0	-41.34	285.69	-3.38	-44.72
NC1=NC=CN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616423	1	34	-1.0	-41.32	285.63	-3.38	-44.70
O=C(NC1CC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616424	0	35	-1.0	-38.08	289.15	-2.26	-40.34
O=C(NC1CC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616424	1	35	-1.0	-38.12	289.21	-2.25	-40.37
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=NN1C	REAL250004616425	0	36	-1.0	-43.66	291.86	-1.30	-44.96
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=NN1C	REAL250004616425	1	36	-1.0	-43.63	291.92	-1.30	-44.93
CC(C)(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616426	0	42	-1.0	-40.23	319.53	1.81	-38.42
CC(C)(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616426	1	42	-1.0	-40.22	319.60	1.82	-38.40
N#CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616427	0	35	-1.0	-37.63	284.79	0.36	-37.27
N#CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616427	1	35	-1.0	-37.63	284.86	0.37	-37.26
O=C(CC1(O)CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616428	0	41	-1.0	-40.06	312.13	-0.33	-40.39
O=C(CC1(O)CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616428	1	41	-1.0	-40.06	312.19	-0.33	-40.39
O=C(C1CC=CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616429	0	35	-1.0	-39.99	274.65	0.94	-39.05
O=C(C1CC=CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616429	1	35	-1.0	-39.95	274.71	0.94	-39.01
O=C(C1CC2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616430	0	38	-1.0	-40.47	307.10	2.80	-37.67
O=C(C1CC2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616430	1	38	-1.0	-40.44	307.16	2.80	-37.64
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=CO1	REAL250004616431	0	36	-1.0	-42.29	293.36	-1.23	-43.52
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=CO1	REAL250004616431	1	36	-1.0	-42.33	293.29	-1.24	-43.57
CSCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616432	0	40	-1.0	-41.14	330.53	2.12	-39.02
CSCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616432	1	40	-1.0	-41.15	330.60	2.13	-39.02
O=C(CC1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616433	0	38	-1.0	-40.27	297.01	-0.60	-40.87
O=C(CC1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616433	1	38	-1.0	-40.28	297.07	-0.60	-40.88
O=C(CC1=NNC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616434	0	34	-1.0	-46.75	281.90	-1.24	-47.99
O=C(CC1=NNC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616434	1	34	-1.0	-46.78	281.96	-1.23	-48.01
O=C(C1=CCCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616435	0	36	-1.0	-39.56	286.47	0.15	-39.41
O=C(C1=CCCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616435	1	36	-1.0	-39.54	286.54	0.16	-39.38
CC1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616436	0	43	-1.0	-38.79	314.64	2.09	-36.70
CC1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616436	1	43	-1.0	-38.77	314.70	2.10	-36.67
O=C(C1=CC=NC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616438	0	33	-1.0	-43.99	277.44	-0.41	-44.40
O=C(C1=CC=NC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616438	1	33	-1.0	-43.98	277.37	-0.41	-44.39
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL250004616439	0	37	-1.0	-44.05	301.03	1.57	-42.48
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL250004616439	1	37	-1.0	-44.07	301.09	1.57	-42.50
O=C(CC1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616440	0	37	-1.0	-40.67	290.60	1.41	-39.26
O=C(CC1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616440	1	37	-1.0	-40.68	290.67	1.41	-39.27
CCC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616441	0	42	-1.0	-39.32	310.22	1.71	-37.61
CCC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616441	1	42	-1.0	-39.30	310.28	1.72	-37.58
O=C(C1CCCS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616442	0	35	-1.0	-42.70	286.17	0.95	-41.75
O=C(C1CCCS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616442	1	35	-1.0	-42.73	286.24	0.96	-41.77
CN1CCOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616443	0	40	-1.0	-42.19	308.39	-2.17	-44.36
CN1CCOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616443	1	40	-1.0	-42.20	308.45	-2.16	-44.36
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616444	0	36	-1.0	-40.38	294.55	-2.25	-42.63
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616444	1	36	-1.0	-40.40	294.61	-2.25	-42.65
CN(C)C(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616445	0	37	-1.0	-51.73	296.66	0.30	-51.43
CN(C)C(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616445	1	37	-1.0	-51.74	296.73	0.30	-51.44
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004616446	0	33	-1.0	-41.46	277.31	0.15	-41.31
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004616446	1	33	-1.0	-41.47	277.37	0.16	-41.31
O=C(C1=CC=CC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616447	0	34	-1.0	-45.07	288.08	-1.76	-46.83
O=C(C1=CC=CC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616447	1	34	-1.0	-45.06	288.14	-1.76	-46.82
O=C(CCC1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616448	0	40	-1.0	-40.37	312.51	2.18	-38.19
O=C(CCC1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616448	1	40	-1.0	-40.38	312.58	2.19	-38.19
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004616449	0	43	-1.0	-40.45	324.36	2.32	-38.13
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004616449	1	43	-1.0	-40.47	324.43	2.32	-38.15
CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616450	0	37	-1.0	-40.53	293.21	1.10	-39.43
CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616450	1	37	-1.0	-40.57	293.27	1.10	-39.47
CC1=CSC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616451	0	34	-1.0	-41.19	288.45	0.98	-40.21
CC1=CSC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616451	1	34	-1.0	-41.20	288.51	0.98	-40.22
CC1=CC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616452	0	37	-1.0	-40.16	299.09	1.07	-39.09
CC1=CC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616452	1	37	-1.0	-40.14	299.15	1.07	-39.07
O=C(CCN1C=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616453	0	38	-1.0	-39.98	310.00	2.19	-37.79
O=C(CCN1C=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616453	1	38	-1.0	-39.93	310.07	2.19	-37.74
C=CCOCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616454	0	41	-1.0	-43.18	332.73	0.72	-42.46
C=CCOCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616454	1	41	-1.0	-43.19	332.79	0.72	-42.47
CC1=CN=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616455	0	36	-1.0	-41.91	295.02	0.20	-41.71
CC1=CN=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616455	1	36	-1.0	-41.90	294.96	0.20	-41.70
O=C(CCC(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616456	0	33	-1.0	-39.43	282.43	0.49	-38.94
O=C(CCC(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616456	1	33	-1.0	-39.41	282.49	0.49	-38.92
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC=N1	REAL250004616457	0	33	-1.0	-40.63	272.27	-3.10	-43.73
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC=N1	REAL250004616457	1	33	-1.0	-40.66	272.33	-3.09	-43.75
CN1CCCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616458	1	42	-1.0	-40.15	314.35	-0.73	-40.88
O=C(C1C2CCCC21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616459	0	38	-1.0	-40.50	298.02	1.99	-38.51
O=C(C1C2CCCC21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616459	1	38	-1.0	-40.49	298.08	1.99	-38.50
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616460	0	37	-1.0	-40.79	291.46	1.32	-39.47
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616460	1	37	-1.0	-40.81	291.52	1.32	-39.49
N#CC1=CNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616461	0	33	-1.0	-45.98	283.33	0.08	-45.90
N#CC1=CNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616461	1	33	-1.0	-45.92	283.39	0.09	-45.83
O=C(C#CC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616462	0	36	-1.0	-41.30	310.64	3.00	-38.30
O=C(C#CC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616462	1	36	-1.0	-41.30	310.71	3.01	-38.29
O=C(CCC1=COC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616463	0	37	-1.0	-41.51	304.95	1.08	-40.43
O=C(CCC1=COC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616463	1	37	-1.0	-41.53	305.01	1.08	-40.45
CC(C)CC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616464	0	45	-1.0	-38.76	317.63	1.73	-37.03
CC(C)CC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616464	1	45	-1.0	-38.82	317.70	1.73	-37.09
CC1=CC=CN=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616465	0	36	-1.0	-42.53	297.38	0.11	-42.42
CC1=CC=CN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616465	1	36	-1.0	-42.49	297.31	0.10	-42.39
CC=C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616466	0	34	-1.0	-41.07	267.53	0.25	-40.82
CC=C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616466	1	34	-1.0	-41.03	267.59	0.25	-40.78
CC(C)=C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616467	0	37	-1.0	-40.69	293.60	1.07	-39.62
CC(C)=C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616467	1	37	-1.0	-40.64	293.66	1.07	-39.57
CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616468	0	40	-1.0	-40.46	299.50	1.26	-39.20
CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616468	1	40	-1.0	-40.43	299.57	1.26	-39.17
CC1(C)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1(C)C	REAL250004616469	0	43	-1.0	-39.74	323.48	2.22	-37.52
CC1(C)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1(C)C	REAL250004616469	1	43	-1.0	-39.74	323.55	2.22	-37.52
O=C(CCC1=NN=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616470	0	36	-1.0	-47.23	298.23	0.53	-46.70
O=C(CCC1=NN=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616470	1	36	-1.0	-47.22	298.29	0.53	-46.69
CSC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616471	0	32	-1.0	-40.56	277.35	0.24	-40.32
CSC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616471	1	32	-1.0	-40.58	277.41	0.25	-40.33
O=C(CCC1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616472	0	41	-1.0	-41.80	319.40	0.16	-41.64
O=C(CCC1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616472	1	41	-1.0	-41.83	319.47	0.16	-41.67
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)(F)C(F)F	REAL250004616473	0	30	-1.0	-36.08	264.82	-0.34	-36.42
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)(F)C(F)F	REAL250004616473	1	30	-1.0	-36.10	264.89	-0.34	-36.44
O=C(CN1C=CN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616474	0	33	-1.0	-50.93	276.97	-1.58	-52.51
O=C(CN1C=CN=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616474	1	33	-1.0	-50.93	276.91	-1.59	-52.52
O=CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004616475	0	34	-1.0	-44.03	286.85	-0.78	-44.81
O=CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004616475	1	34	-1.0	-44.06	286.91	-0.77	-44.83
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CN1	REAL250004616476	0	35	-1.0	-43.74	284.17	-0.17	-43.91
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CN1	REAL250004616476	1	35	-1.0	-43.74	284.23	-0.16	-43.90
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616477	0	37	-1.0	-40.48	280.61	0.65	-39.83
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616477	1	37	-1.0	-40.46	280.67	0.65	-39.81
C=CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616478	0	37	-1.0	-40.96	298.61	1.45	-39.51
C=CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616478	1	37	-1.0	-40.94	298.67	1.45	-39.49
O=C(COC1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616479	0	39	-1.0	-44.73	312.82	-0.84	-45.57
O=C(COC1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616479	1	39	-1.0	-44.78	312.88	-0.84	-45.62
O=C(C1CC12CCCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616480	0	41	-1.0	-39.97	318.35	2.45	-37.52
O=C(C1CC12CCCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616480	1	41	-1.0	-40.01	318.41	2.45	-37.56
O=C(C1CC(F)(F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616481	0	34	-1.0	-39.88	282.34	0.75	-39.13
O=C(C1CC(F)(F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616481	1	34	-1.0	-39.90	282.40	0.76	-39.14
O=C(C1=CC(=O)NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616482	0	34	-1.0	-50.34	281.82	-1.81	-52.15
O=C(C1=CC(=O)NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616482	1	34	-1.0	-50.32	281.88	-1.81	-52.13
CCCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616483	0	40	-1.0	-40.74	314.71	1.87	-38.87
CCCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616483	1	40	-1.0	-40.74	314.77	1.88	-38.86
CCC(CC)(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616484	0	45	-1.0	-40.52	318.00	1.44	-39.08
CCC(CC)(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616484	1	45	-1.0	-40.55	318.07	1.44	-39.11
O=C(C1=CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616485	0	35	-1.0	-41.27	274.62	0.91	-40.36
O=C(C1=CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616485	1	35	-1.0	-41.29	274.68	0.91	-40.38
CC1=NNC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616486	0	37	-1.0	-45.12	304.66	-0.78	-45.90
CC1=NNC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616486	1	37	-1.0	-45.09	304.72	-0.77	-45.86
CN1C=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616487	0	35	-1.0	-44.39	284.90	0.95	-43.44
CN1C=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616487	1	35	-1.0	-44.40	284.96	0.95	-43.45
O=C(C=C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616488	0	35	-1.0	-41.56	280.82	1.30	-40.26
O=C(C=C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616488	1	35	-1.0	-41.58	280.88	1.30	-40.28
COCC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616489	0	40	-1.0	-42.21	313.97	-0.18	-42.39
COCC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616489	1	40	-1.0	-42.23	314.03	-0.17	-42.40
O=C(CC1CCCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616490	0	41	-1.0	-43.63	316.93	1.23	-42.40
O=C(CC1CCCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616490	1	41	-1.0	-43.64	317.00	1.24	-42.40
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCO1	REAL250004616491	0	38	-1.0	-38.85	291.39	-0.51	-39.36
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCO1	REAL250004616491	1	38	-1.0	-38.88	291.46	-0.50	-39.38
CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)COC1	REAL250004616492	0	38	-1.0	-41.86	292.12	-1.40	-43.26
CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)COC1	REAL250004616492	1	38	-1.0	-41.88	292.18	-1.40	-43.28
O=C(CC1=CC=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616494	0	36	-1.0	-44.54	297.67	0.53	-44.01
O=C(CC1=CC=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616494	1	36	-1.0	-44.54	297.74	0.54	-44.00
O=C(C1CCNC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616495	0	38	-1.0	-45.65	301.03	-2.19	-47.84
O=C(C1CCNC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616495	1	38	-1.0	-45.62	301.10	-2.19	-47.81
COC(=O)C(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616496	0	39	-1.0	-40.02	314.74	0.73	-39.29
COC(=O)C(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616496	1	39	-1.0	-40.01	314.80	0.73	-39.28
O=C(C(F)=C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616497	0	38	-1.0	-38.46	300.25	1.92	-36.54
O=C(C(F)=C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616497	1	38	-1.0	-38.45	300.31	1.92	-36.53
CCC1(C)CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616498	0	40	-1.0	-40.01	306.24	1.92	-38.09
CCC1(C)CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616498	1	40	-1.0	-39.99	306.30	1.93	-38.06
CCCC(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616499	0	40	-1.0	-39.12	306.34	-1.73	-40.85
CCCC(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616499	1	40	-1.0	-39.14	306.40	-1.73	-40.87
O=C(C1CC12CCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616500	0	38	-1.0	-40.54	300.09	2.01	-38.53
O=C(C1CC12CCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616500	1	38	-1.0	-40.53	300.16	2.01	-38.52
O=C(C1=CN=CC(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616501	0	33	-1.0	-38.63	279.35	-0.39	-39.02
O=C(C1=CN=CC(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616501	1	33	-1.0	-38.62	279.29	-0.40	-39.02
CCCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616502	0	43	-1.0	-41.27	322.94	2.10	-39.17
CCCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616502	1	43	-1.0	-41.25	323.00	2.11	-39.14
CCC(=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC	REAL250004616503	0	40	-1.0	-39.31	310.51	2.09	-37.22
CCC(=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC	REAL250004616503	1	40	-1.0	-39.29	310.57	2.09	-37.20
CC1CC(C#N)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616505	0	38	-1.0	-37.46	305.51	0.98	-36.48
CC1CC(C#N)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616505	1	38	-1.0	-37.40	305.58	0.99	-36.41
CC1CCC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616506	0	43	-1.0	-40.45	327.41	2.60	-37.85
CC1CCC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616506	1	43	-1.0	-40.43	327.48	2.61	-37.82
CCC(CC)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616507	0	42	-1.0	-40.12	313.39	1.88	-38.24
CCC(CC)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616507	1	42	-1.0	-40.13	313.45	1.89	-38.24
CC=C(C=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC	REAL250004616508	0	41	-1.0	-39.66	325.65	2.52	-37.14
CC=C(C=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC	REAL250004616508	1	41	-1.0	-39.63	325.71	2.52	-37.11
CC1CCC(=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616509	0	41	-1.0	-40.84	317.98	2.54	-38.30
CC1CCC(=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616509	1	41	-1.0	-40.84	318.04	2.54	-38.30
CC(C)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616510	0	40	-1.0	-39.71	299.86	1.41	-38.30
CC(C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616510	1	40	-1.0	-39.72	299.92	1.41	-38.31
O=C(C1CCSC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616511	0	35	-1.0	-40.53	282.23	0.71	-39.82
O=C(C1CCSC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616511	1	35	-1.0	-40.53	282.29	0.71	-39.82
CC1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616512	0	37	-1.0	-40.60	289.46	1.20	-39.40
CC1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616512	1	37	-1.0	-40.55	289.52	1.20	-39.35
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)=C1CCCC1	REAL250004616513	0	41	-1.0	-40.75	322.00	2.42	-38.33
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)=C1CCCC1	REAL250004616513	1	41	-1.0	-40.75	322.07	2.42	-38.33
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCCCC1	REAL250004616514	0	41	-1.0	-37.70	302.67	-1.19	-38.89
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCCCC1	REAL250004616514	1	41	-1.0	-37.72	302.74	-1.19	-38.91
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCCC1	REAL250004616515	0	38	-1.0	-38.62	291.33	-1.94	-40.56
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCCC1	REAL250004616515	1	38	-1.0	-38.60	291.40	-1.94	-40.54
COCC(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616516	0	38	-1.0	-39.06	300.51	-3.67	-42.73
COCC(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616516	1	38	-1.0	-39.05	300.57	-3.66	-42.71
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616517	0	34	-1.0	-40.85	269.37	0.33	-40.52
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616517	1	34	-1.0	-40.81	269.44	0.33	-40.48
CN1C=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616518	0	34	-1.0	-46.09	280.60	1.38	-44.71
CN1C=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616518	1	34	-1.0	-46.15	280.53	1.38	-44.77
COC(=O)CC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616519	0	39	-1.0	-39.76	312.71	0.46	-39.30
COC(=O)CC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616519	1	39	-1.0	-39.76	312.78	0.46	-39.30
CC1=C(C)OC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616520	0	37	-1.0	-40.21	301.80	1.03	-39.18
CC1=C(C)OC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616520	1	37	-1.0	-40.23	301.86	1.03	-39.20
C=CCC(CC=C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616521	0	41	-1.0	-39.82	323.58	2.13	-37.69
C=CCC(CC=C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616521	1	41	-1.0	-39.84	323.64	2.13	-37.71
CC1=CC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004616522	0	38	-1.0	-40.06	309.33	0.31	-39.75
CC1=CC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004616522	1	38	-1.0	-40.08	309.40	0.31	-39.77
CCC1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616523	0	41	-1.0	-43.53	317.33	1.25	-42.28
CCC1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616523	1	41	-1.0	-43.54	317.39	1.26	-42.28
CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004616524	0	43	-1.0	-39.32	312.55	1.75	-37.57
CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004616524	1	43	-1.0	-39.36	312.62	1.75	-37.61
O=C(C(C1CC1)C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616525	0	41	-1.0	-39.89	322.23	2.72	-37.17
O=C(C(C1CC1)C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616525	1	41	-1.0	-39.89	322.29	2.72	-37.17
CC(C)(C)C(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616526	0	40	-1.0	-39.76	297.48	-0.99	-40.75
CC(C)(C)C(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616526	1	40	-1.0	-39.79	297.55	-0.98	-40.77
CC1(C)C[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616527	0	37	-1.0	-40.02	289.17	1.28	-38.74
CC1(C)C[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616527	1	37	-1.0	-40.02	289.23	1.28	-38.74
CNC(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616528	0	36	-1.0	-42.74	296.33	-4.38	-47.12
CNC(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616528	1	36	-1.0	-42.74	296.39	-4.37	-47.11
O=C(C1CCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616529	0	32	-1.0	-42.95	258.62	-1.17	-44.12
O=C(C1CCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616529	1	32	-1.0	-42.94	258.68	-1.16	-44.10
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1	REAL250004616530	0	36	-1.0	-42.25	294.43	0.99	-41.26
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1	REAL250004616530	1	36	-1.0	-42.21	294.37	0.99	-41.22
CC1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616531	0	37	-1.0	-44.34	305.50	1.27	-43.07
CC1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616531	1	37	-1.0	-44.30	305.57	1.28	-43.02
CCCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004616532	0	45	-1.0	-40.10	325.73	2.24	-37.86
CCCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004616532	1	45	-1.0	-40.11	325.79	2.25	-37.86
CCC(C)C(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616533	0	40	-1.0	-39.28	304.50	-0.86	-40.14
CCC(C)C(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616533	1	40	-1.0	-39.34	304.57	-0.86	-40.20
NC(=O)NC(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616534	0	37	-1.0	-43.39	303.48	-8.45	-51.84
NC(=O)NC(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616534	1	37	-1.0	-43.39	303.54	-8.45	-51.84
O=C(C1CC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616535	0	33	-1.0	-41.37	271.45	-0.35	-41.72
O=C(C1CC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616535	1	33	-1.0	-41.40	271.51	-0.35	-41.75
CN1CCOCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616536	0	40	-1.0	-39.89	307.58	-3.06	-42.95
CN1CCOCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616536	1	40	-1.0	-39.94	307.64	-3.05	-42.99
CC(C)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616537	0	33	-1.0	-39.66	263.37	-0.26	-39.92
CC(C)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616537	1	33	-1.0	-39.67	263.43	-0.25	-39.92
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CCCC(CCC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616539	0	45	-1.0	-39.96	337.06	2.44	-37.52
CCCC(CCC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616539	1	45	-1.0	-39.95	337.12	2.44	-37.51
CC1=NN=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616540	0	35	-1.0	-42.22	288.41	-0.91	-43.13
CC1=NN=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616540	1	35	-1.0	-42.24	288.47	-0.91	-43.15
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCO1	REAL250004616541	0	39	-1.0	-40.68	305.96	0.63	-40.05
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCO1	REAL250004616541	1	39	-1.0	-40.70	306.03	0.63	-40.07
COCC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616542	0	40	-1.0	-39.39	304.23	-0.82	-40.21
COCC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616542	1	40	-1.0	-39.39	304.29	-0.81	-40.20
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CSC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616545	0	37	-1.0	-41.66	303.36	1.16	-40.50
CSC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616545	1	37	-1.0	-41.65	303.42	1.16	-40.49
NC(=O)NC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616546	0	37	-1.0	-49.45	302.28	-3.93	-53.38
NC(=O)NC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616546	1	37	-1.0	-49.45	302.34	-3.92	-53.37
COCCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616547	0	41	-1.0	-42.01	326.88	0.16	-41.85
COCCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616547	1	41	-1.0	-42.03	326.94	0.16	-41.87
CCC(SC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616548	0	37	-1.0	-41.37	301.99	0.92	-40.45
CCC(SC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616548	1	37	-1.0	-41.34	302.06	0.93	-40.41
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=CC=C1	REAL250004616549	0	38	-1.0	-41.34	303.05	1.77	-39.57
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=CC=C1	REAL250004616549	1	38	-1.0	-41.33	303.11	1.78	-39.55
CCN(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616550	1	42	-1.0	-41.01	321.43	-0.21	-41.22
CCN(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616550	1	42	-1.0	-41.00	321.49	-0.21	-41.21
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CC1(OCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616553	1	41	-1.0	-43.12	320.09	1.49	-41.63
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CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616555	0	38	-1.0	-41.60	292.22	1.58	-40.02
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616555	1	38	-1.0	-41.56	292.28	1.58	-39.98
CC1=NNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1=O	REAL250004616556	0	35	-1.0	-43.47	291.60	-2.99	-46.46
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CCC(C)OCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616557	1	40	-1.0	-43.11	318.49	1.24	-41.87
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CC(C)C(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616558	1	40	-1.0	-43.59	311.74	-1.03	-44.62
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CCC(C)=C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616572	0	40	-1.0	-40.16	315.16	1.83	-38.33
CCC(C)=C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616572	1	40	-1.0	-40.18	315.22	1.84	-38.34
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CC1=NSC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616574	0	33	-1.0	-40.23	282.43	-0.40	-40.63
CC1=NSC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616574	1	33	-1.0	-40.25	282.50	-0.39	-40.64
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CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)COC1	REAL250004616576	0	35	-1.0	-39.70	274.36	-1.93	-41.63
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)COC1	REAL250004616576	1	35	-1.0	-39.74	274.43	-1.92	-41.66
O=C(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)NC1CC1	REAL250004616577	0	38	-1.0	-51.34	310.52	0.05	-51.29
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C#CCNC(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616578	0	36	-1.0	-50.74	306.15	-0.30	-51.04
C#CCNC(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616578	1	36	-1.0	-50.80	306.22	-0.29	-51.09
CC1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616579	0	40	-1.0	-40.44	300.26	1.57	-38.87
CC1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616579	1	40	-1.0	-40.45	300.32	1.58	-38.87
CC1OCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616580	0	38	-1.0	-39.91	293.51	-0.83	-40.74
CC1OCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616580	1	38	-1.0	-39.88	293.58	-0.82	-40.70
COCCCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616581	0	41	-1.0	-45.42	332.58	-0.45	-45.87
COCCCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616581	1	41	-1.0	-45.44	332.64	-0.44	-45.88
O=C(C1CCC=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616582	0	36	-1.0	-42.35	283.96	0.75	-41.60
O=C(C1CCC=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616582	1	36	-1.0	-42.39	284.03	0.75	-41.64
CC(C)(C)OCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616583	0	40	-1.0	-42.93	311.68	0.82	-42.11
CC(C)(C)OCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616583	1	40	-1.0	-42.95	311.75	0.83	-42.12
N#CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN1	REAL250004616584	0	33	-1.0	-45.16	283.64	-0.59	-45.75
N#CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN1	REAL250004616584	1	33	-1.0	-45.22	283.70	-0.59	-45.81
COCCCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616585	0	43	-1.0	-40.77	336.49	0.37	-40.40
COCCCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616585	1	43	-1.0	-40.73	336.56	0.37	-40.36
CSC(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616586	0	40	-1.0	-41.58	325.28	1.89	-39.69
CSC(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616586	1	40	-1.0	-41.56	325.34	1.89	-39.67
C#CCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616587	0	38	-1.0	-41.54	313.08	2.19	-39.35
C#CCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616587	1	38	-1.0	-41.51	313.14	2.19	-39.32
COCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616588	0	38	-1.0	-41.71	300.17	0.10	-41.61
COCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616588	1	38	-1.0	-41.67	300.23	0.10	-41.57
CC(Cl)(Cl)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616589	0	30	-1.0	-36.65	268.65	0.09	-36.56
CC(Cl)(Cl)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616589	1	30	-1.0	-36.65	268.71	0.10	-36.55
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCSC1	REAL250004616590	0	36	-1.0	-39.82	283.94	-1.68	-41.50
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCSC1	REAL250004616590	1	36	-1.0	-39.86	284.00	-1.68	-41.54
O=C(C1=CC=CC(F)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616591	0	33	-1.0	-42.40	279.01	0.35	-42.05
O=C(C1=CC=CC(F)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616591	1	33	-1.0	-42.41	278.94	0.34	-42.07
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=NC=N1	REAL250004616592	0	36	-1.0	-45.30	295.07	1.18	-44.12
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=NC=N1	REAL250004616592	1	36	-1.0	-45.31	295.01	1.18	-44.13
O=C([C@@H]1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616593	0	35	-1.0	-43.48	275.25	-0.31	-43.79
O=C([C@@H]1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616593	1	35	-1.0	-43.48	275.31	-0.31	-43.79
O=C([C@H]1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616594	0	35	-1.0	-43.88	275.76	-0.26	-44.14
O=C([C@H]1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616594	1	35	-1.0	-43.89	275.82	-0.25	-44.14
COC(=O)N[C@@H](C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616595	0	38	-1.0	-39.99	310.82	-2.93	-42.92
COC(=O)N[C@@H](C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616595	1	38	-1.0	-39.97	310.88	-2.93	-42.90
C#CCOCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616596	0	36	-1.0	-41.32	304.11	-0.08	-41.40
C#CCOCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616596	1	36	-1.0	-41.36	304.18	-0.07	-41.43
CC(O)(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616597	0	41	-1.0	-39.30	313.16	0.27	-39.03
CC(O)(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616597	1	41	-1.0	-39.34	313.23	0.28	-39.06
CCC(CC)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616598	0	45	-1.0	-40.44	330.22	2.18	-38.26
CCC(CC)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616598	1	45	-1.0	-40.52	330.28	2.19	-38.33
CC1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCO1	REAL250004616599	0	41	-1.0	-40.11	315.61	0.13	-39.98
CC1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCO1	REAL250004616599	1	41	-1.0	-40.16	315.67	0.13	-40.03
CC1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616600	0	40	-1.0	-40.21	303.18	1.66	-38.55
CC1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616600	1	40	-1.0	-40.21	303.24	1.65	-38.56
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CN1N=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1N	REAL250004616604	0	36	-1.0	-42.79	293.53	-2.04	-44.83
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CCC(C)(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616606	1	42	-1.0	-40.26	302.01	0.95	-39.31
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COC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616608	1	37	-1.0	-39.61	304.32	0.52	-39.09
CC#CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616609	0	38	-1.0	-44.04	313.41	2.36	-41.68
CC#CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616609	1	38	-1.0	-44.03	313.47	2.37	-41.66
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CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCOC1	REAL250004616611	0	38	-1.0	-42.88	285.87	-1.33	-44.21
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCOC1	REAL250004616611	1	38	-1.0	-42.89	285.94	-1.33	-44.22
COCCC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616612	0	43	-1.0	-42.72	320.79	-0.43	-43.15
COCCC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616612	1	43	-1.0	-42.70	320.85	-0.42	-43.12
O=C(C1C=CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616613	0	38	-1.0	-39.76	291.67	1.46	-38.30
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COC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616614	0	38	-1.0	-38.46	295.83	-0.44	-38.90
COC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616614	1	38	-1.0	-38.48	295.90	-0.43	-38.91
COC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616615	0	34	-1.0	-38.02	287.06	-3.08	-41.10
COC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616615	1	34	-1.0	-38.04	286.99	-3.08	-41.12
CCNC(=O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616616	0	37	-1.0	-51.42	300.38	-0.80	-52.22
CCNC(=O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616616	1	37	-1.0	-51.39	300.44	-0.79	-52.18
CNC(=O)CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616617	0	40	-1.0	-51.71	323.91	-1.56	-53.27
CNC(=O)CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616617	1	40	-1.0	-51.73	323.98	-1.56	-53.29
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCOC1	REAL250004616618	0	41	-1.0	-40.28	299.01	-0.58	-40.86
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCOC1	REAL250004616618	1	41	-1.0	-40.33	299.08	-0.58	-40.91
C#CCCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616619	0	41	-1.0	-42.83	334.58	2.97	-39.86
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CC1(C)CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616621	0	43	-1.0	-39.30	325.94	2.30	-37.00
CC1(C)CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616621	1	43	-1.0	-39.29	326.00	2.31	-36.98
COC(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616622	0	40	-1.0	-41.66	317.51	-0.05	-41.71
COC(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616622	1	40	-1.0	-41.65	317.58	-0.05	-41.70
CCC(C)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616623	0	42	-1.0	-40.44	316.25	1.63	-38.81
CCC(C)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616623	1	42	-1.0	-40.46	316.31	1.63	-38.83
CC(C)OCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616624	0	43	-1.0	-42.92	340.10	0.89	-42.03
CC(C)OCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616624	1	43	-1.0	-42.94	340.16	0.89	-42.05
CN1C(=O)CC[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616625	0	38	-1.0	-46.75	305.89	-0.43	-47.18
CN1C(=O)CC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616625	1	38	-1.0	-46.76	305.95	-0.42	-47.18
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C=CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616626	1	41	-1.0	-40.92	313.96	1.91	-39.01
COC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616627	0	41	-1.0	-43.27	316.84	0.98	-42.29
COC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616627	1	41	-1.0	-43.25	316.91	0.99	-42.26
CC1OCCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616628	0	41	-1.0	-38.70	312.31	-0.02	-38.72
CC1OCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616628	1	41	-1.0	-38.73	312.37	-0.01	-38.74
C#CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616629	0	35	-1.0	-43.23	291.58	1.41	-41.82
C#CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616629	1	35	-1.0	-43.24	291.64	1.41	-41.83
CC(=O)OC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616630	0	37	-1.0	-43.46	307.02	0.85	-42.61
CC(=O)OC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616630	1	37	-1.0	-43.50	307.09	0.86	-42.64
CC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616631	0	37	-1.0	-40.28	292.94	1.38	-38.90
CC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616631	1	37	-1.0	-40.30	293.01	1.39	-38.91
CCC(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616633	0	39	-1.0	-40.13	299.26	1.38	-38.75
CCC(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616633	1	39	-1.0	-40.11	299.32	1.38	-38.73
CC(F)(F)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616634	0	33	-1.0	-46.07	274.70	0.31	-45.76
CC(F)(F)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616634	1	33	-1.0	-46.08	274.76	0.31	-45.77
CCC(C(=O)OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616635	0	39	-1.0	-42.40	315.97	0.54	-41.86
CCC(C(=O)OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616635	1	39	-1.0	-42.38	316.04	0.54	-41.84
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004616636	0	43	-1.0	-39.50	307.46	1.67	-37.83
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004616636	1	43	-1.0	-39.55	307.52	1.67	-37.88
O=C(CCN1C=CN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616637	0	36	-1.0	-44.80	299.08	-0.93	-45.73
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C[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616641	0	34	-1.0	-40.58	274.14	0.74	-39.84
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CC1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CO1	REAL250004616654	0	38	-1.0	-40.25	295.05	-0.68	-40.93
CC1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CO1	REAL250004616654	1	38	-1.0	-40.28	295.10	-0.68	-40.96
CC(C)C(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616655	0	36	-1.0	-40.33	283.65	0.70	-39.63
CC(C)C(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616655	1	36	-1.0	-40.31	283.72	0.70	-39.61
CC1OC(=O)NC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616656	0	36	-1.0	-47.56	288.83	-3.29	-50.85
CC1OC(=O)NC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616656	1	36	-1.0	-47.54	288.89	-3.28	-50.82
CC(C)(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616657	0	37	-1.0	-39.91	281.97	-3.22	-43.13
CC(C)(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616657	1	37	-1.0	-39.90	282.04	-3.22	-43.12
CCN1N=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616658	0	37	-1.0	-40.65	297.62	-0.09	-40.74
CCN1N=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616658	1	37	-1.0	-40.63	297.55	-0.10	-40.73
O=C(C1=CCCCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616659	0	41	-1.0	-39.95	304.20	1.89	-38.06
O=C(C1=CCCCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616659	1	41	-1.0	-39.92	304.27	1.89	-38.03
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N(C)C=C1	REAL250004616660	0	38	-1.0	-42.50	310.77	1.49	-41.01
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N(C)C=C1	REAL250004616660	1	38	-1.0	-42.51	310.84	1.50	-41.01
CC(C)C(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616661	0	40	-1.0	-40.00	296.23	-2.19	-42.19
CC(C)C(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616661	1	40	-1.0	-40.05	296.30	-2.18	-42.23
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004616662	0	40	-1.0	-40.35	310.47	0.57	-39.78
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004616662	1	40	-1.0	-40.36	310.54	0.57	-39.79
CN1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1=O	REAL250004616663	0	38	-1.0	-42.22	304.86	-0.87	-43.09
CN1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1=O	REAL250004616663	1	38	-1.0	-42.23	304.92	-0.86	-43.09
CC1(C)CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616664	0	43	-1.0	-40.13	315.08	2.18	-37.95
CC1(C)CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616664	1	43	-1.0	-40.13	315.14	2.18	-37.95
CC(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616665	0	34	-1.0	-39.29	268.01	-3.18	-42.47
CC(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616665	1	34	-1.0	-39.32	268.08	-3.17	-42.49
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCOCC1	REAL250004616666	0	39	-1.0	-40.27	298.96	-3.60	-43.87
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCOCC1	REAL250004616666	1	39	-1.0	-40.29	299.02	-3.60	-43.89
CN1C=NC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616667	0	37	-1.0	-46.04	302.61	1.40	-44.64
CN1C=NC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616667	1	37	-1.0	-46.04	302.67	1.41	-44.63
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CNC(=O)C1	REAL250004616668	0	38	-1.0	-43.31	294.44	-3.02	-46.33
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CNC(=O)C1	REAL250004616668	1	38	-1.0	-43.32	294.50	-3.02	-46.34
CC(C)(O)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616669	0	40	-1.0	-40.42	312.69	-1.86	-42.28
CC(C)(O)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616669	1	40	-1.0	-40.41	312.76	-1.85	-42.26
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(F)CCCC1	REAL250004616670	0	37	-1.0	-37.37	287.43	1.02	-36.35
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(F)CCCC1	REAL250004616670	1	37	-1.0	-37.36	287.49	1.02	-36.34
C[C@H]1C[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616671	0	34	-1.0	-39.61	273.95	0.73	-38.88
C[C@H]1C[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616671	1	34	-1.0	-39.62	274.02	0.74	-38.88
O=C(C1=CC=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616672	0	32	-1.0	-40.84	267.56	0.22	-40.62
O=C(C1=CC=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616672	1	32	-1.0	-40.87	267.50	0.22	-40.65
O=C(CC1C=CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616673	0	41	-1.0	-40.90	315.01	2.49	-38.41
O=C(CC1C=CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616673	1	41	-1.0	-40.92	315.08	2.50	-38.42
CC1CCCC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616674	0	43	-1.0	-40.25	320.34	2.39	-37.86
CC1CCCC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616674	1	43	-1.0	-40.22	320.40	2.39	-37.83
CN1C(=O)CCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616675	0	38	-1.0	-47.40	305.97	-0.42	-47.82
CN1C(=O)CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616675	1	38	-1.0	-47.36	306.03	-0.41	-47.77
CC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CO1	REAL250004616676	0	33	-1.0	-41.75	276.19	-2.11	-43.86
CC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CO1	REAL250004616676	1	33	-1.0	-41.73	276.25	-2.11	-43.84
C[C@H](NC(N)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616677	0	36	-1.0	-42.63	292.31	-5.18	-47.81
C[C@H](NC(N)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616677	1	36	-1.0	-42.63	292.38	-5.18	-47.81
CC(=O)OC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616678	0	39	-1.0	-39.49	304.74	0.48	-39.01
CC(=O)OC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616678	1	39	-1.0	-39.55	304.81	0.49	-39.06
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CCOCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616682	0	41	-1.0	-43.15	325.98	0.51	-42.64
CCOCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616682	1	41	-1.0	-43.15	326.04	0.51	-42.64
CC1CC(C)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616683	0	41	-1.0	-41.04	309.67	0.73	-40.31
CC1CC(C)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616683	1	41	-1.0	-41.00	309.73	0.73	-40.27
CCCC(C)(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616684	0	45	-1.0	-40.95	324.14	1.75	-39.20
CCCC(C)(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616684	1	45	-1.0	-40.98	324.21	1.75	-39.23
O=C(C1=CC=C(F)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616685	0	33	-1.0	-39.71	279.40	0.42	-39.29
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CSCC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616686	0	40	-1.0	-39.09	312.50	1.05	-38.04
CSCC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616686	1	40	-1.0	-39.10	312.56	1.05	-38.05
O=C([C@H]1C[C@@H]1C(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616687	0	34	-1.0	-40.16	285.38	0.95	-39.21
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CCCCC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616688	0	42	-1.0	-40.29	324.32	2.08	-38.21
CCCCC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616688	1	42	-1.0	-40.32	324.38	2.08	-38.24
CC(CC(N)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616689	0	37	-1.0	-41.37	294.92	-3.41	-44.78
CC(CC(N)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616689	1	37	-1.0	-41.38	294.99	-3.41	-44.79
CN1N=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616690	0	33	-1.0	-40.28	270.10	-2.39	-42.67
CN1N=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616690	1	33	-1.0	-40.25	270.04	-2.40	-42.65
O=C(C1CCCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616691	0	41	-1.0	-41.02	308.32	-0.06	-41.08
O=C(C1CCCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616691	1	41	-1.0	-41.02	308.38	-0.06	-41.08
COC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616692	0	40	-1.0	-42.06	305.23	0.57	-41.49
COC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616692	1	40	-1.0	-42.08	305.29	0.57	-41.51
C=C(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616693	0	32	-1.0	-43.75	267.81	-3.68	-47.43
C=C(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616693	1	32	-1.0	-43.77	267.87	-3.67	-47.44
CC1=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC=N1	REAL250004616694	0	37	-1.0	-46.87	303.22	0.37	-46.50
CC1=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC=N1	REAL250004616694	1	37	-1.0	-46.85	303.28	0.38	-46.47
O=C(C1=NC=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616695	0	30	-1.0	-40.80	263.57	-0.67	-41.47
O=C(C1=NC=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616695	1	30	-1.0	-40.75	263.50	-0.68	-41.43
CC(C)(C#N)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616696	0	37	-1.0	-39.43	295.28	0.84	-38.59
CC(C)(C#N)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616696	1	37	-1.0	-39.41	295.34	0.85	-38.56
CCC(C)(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616697	0	40	-1.0	-39.60	300.15	-0.32	-39.92
CCC(C)(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616697	1	40	-1.0	-39.61	300.21	-0.32	-39.93
CC1(C)CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616698	0	41	-1.0	-43.99	316.81	1.08	-42.91
CC1(C)CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616698	1	41	-1.0	-44.03	316.88	1.08	-42.95
CCN1C=CN=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616699	0	37	-1.0	-42.61	297.62	1.49	-41.12
CCN1C=CN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616699	1	37	-1.0	-42.64	297.55	1.49	-41.15
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC=C1	REAL250004616700	0	35	-1.0	-42.97	283.41	0.24	-42.73
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC=C1	REAL250004616700	1	35	-1.0	-42.94	283.47	0.24	-42.70
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CO1	REAL250004616701	0	37	-1.0	-40.67	301.73	0.99	-39.68
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CO1	REAL250004616701	1	37	-1.0	-40.65	301.79	1.00	-39.65
C#CC1=CN=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616702	0	35	-1.0	-40.57	300.19	0.72	-39.85
C#CC1=CN=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616702	1	35	-1.0	-40.57	300.25	0.73	-39.84
O=C(C1=CC=CN=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616703	0	33	-1.0	-48.01	280.93	-0.45	-48.46
O=C(C1=CC=CN=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616703	1	33	-1.0	-48.02	280.86	-0.45	-48.47
O=C(C1=CN=CC(O)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616704	0	34	-1.0	-41.14	283.91	-3.33	-44.47
O=C(C1=CN=CC(O)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616704	1	34	-1.0	-41.13	283.97	-3.32	-44.45
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004616705	0	36	-1.0	-40.14	295.14	0.16	-39.98
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004616705	1	36	-1.0	-40.18	295.21	0.17	-40.01
O=C(CCC1=NC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616706	0	37	-1.0	-43.93	303.62	-0.20	-44.13
O=C(CCC1=NC=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616706	1	37	-1.0	-43.97	303.69	-0.19	-44.16
O=C(C1CCC(O)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616707	0	41	-1.0	-43.54	313.16	-1.44	-44.98
O=C(C1CCC(O)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616707	1	41	-1.0	-43.54	313.23	-1.44	-44.98
O=C(C1=CN=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616708	0	30	-1.0	-41.14	262.33	-1.58	-42.72
O=C(C1=CN=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616708	1	30	-1.0	-41.15	262.27	-1.58	-42.73
O=C(CC1CCCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616709	0	41	-1.0	-42.72	313.66	0.23	-42.49
O=C(CC1CCCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616709	1	41	-1.0	-42.73	313.72	0.24	-42.49
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CN1C	REAL250004616710	0	38	-1.0	-44.16	304.54	1.49	-42.67
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CN1C	REAL250004616710	1	38	-1.0	-44.19	304.60	1.49	-42.70
C=CC(C)(O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616711	0	38	-1.0	-39.24	297.87	-0.73	-39.97
C=CC(C)(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616711	1	38	-1.0	-39.26	297.93	-0.73	-39.99
CC(=O)CSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616712	0	36	-1.0	-50.22	310.36	0.62	-49.60
CC(=O)CSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616712	1	36	-1.0	-50.24	310.42	0.63	-49.61
CC1COCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616713	0	41	-1.0	-40.95	313.78	-0.14	-41.09
CC1COCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616713	1	41	-1.0	-40.99	313.84	-0.13	-41.12
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NS1	REAL250004616714	0	33	-1.0	-41.09	283.83	0.18	-40.91
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NS1	REAL250004616714	1	33	-1.0	-41.10	283.89	0.18	-40.92
CC(C)(C(N)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616715	0	37	-1.0	-50.76	283.50	-2.53	-53.29
CC(C)(C(N)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616715	1	37	-1.0	-50.78	283.56	-2.52	-53.30
CSC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616716	0	38	-1.0	-38.53	306.75	1.28	-37.25
CSC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616716	1	38	-1.0	-38.56	306.81	1.29	-37.27
CC1=CC=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616717	0	35	-1.0	-46.24	291.44	-0.16	-46.40
CC1=CC=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616717	1	35	-1.0	-46.24	291.50	-0.16	-46.40
CC(C)(O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616718	0	37	-1.0	-43.30	289.79	-1.57	-44.87
CC(C)(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616718	1	37	-1.0	-43.29	289.85	-1.57	-44.86
O=C(CCC(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616719	0	33	-1.0	-43.10	276.96	0.38	-42.72
O=C(CCC(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616719	1	33	-1.0	-43.12	277.02	0.38	-42.74
CC=C(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616720	0	37	-1.0	-40.79	280.13	0.67	-40.12
CC=C(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616720	1	37	-1.0	-40.80	280.19	0.67	-40.13
CN1C=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616721	0	34	-1.0	-42.52	276.37	0.39	-42.13
CN1C=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616721	1	34	-1.0	-42.52	276.43	0.40	-42.12
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616722	0	38	-1.0	-41.02	300.72	0.80	-40.22
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616722	1	38	-1.0	-41.03	300.79	0.80	-40.23
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)F	REAL250004616723	0	36	-1.0	-39.11	281.92	0.13	-38.98
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)F	REAL250004616723	1	36	-1.0	-39.07	281.99	0.14	-38.93
COC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004616724	0	41	-1.0	-38.58	308.10	0.14	-38.44
COC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004616724	1	41	-1.0	-38.58	308.17	0.15	-38.43
CCC(C)C(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616725	0	43	-1.0	-41.92	325.30	1.07	-40.85
CCC(C)C(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616725	1	43	-1.0	-41.92	325.37	1.08	-40.84
O=C(C[C@H]1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616727	0	38	-1.0	-42.27	297.17	-0.61	-42.88
O=C(C[C@H]1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616727	1	38	-1.0	-42.27	297.23	-0.60	-42.87
O=C(C1=C(Cl)OC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616728	0	31	-1.0	-41.81	277.33	0.00	-41.81
O=C(C1=C(Cl)OC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616728	1	31	-1.0	-41.85	277.39	-0.00	-41.85
CSC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616729	0	35	-1.0	-38.59	293.61	0.88	-37.71
CSC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616729	1	35	-1.0	-38.57	293.67	0.88	-37.69
CC(C)[C@H](O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616731	0	37	-1.0	-40.37	285.46	-1.55	-41.92
CC(C)[C@H](O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616731	1	37	-1.0	-40.42	285.52	-1.55	-41.97
CCC(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616732	0	42	-1.0	-40.36	321.60	2.06	-38.30
CCC(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616732	1	42	-1.0	-40.33	321.66	2.06	-38.27
CC1=NOC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616733	0	36	-1.0	-45.15	299.77	0.50	-44.65
CC1=NOC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616733	1	36	-1.0	-45.18	299.83	0.51	-44.67
O=C(C(O)C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616734	0	35	-1.0	-39.76	279.84	-1.52	-41.28
O=C(C(O)C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616734	1	35	-1.0	-39.79	279.91	-1.52	-41.31
CCC1OCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616735	0	41	-1.0	-41.60	309.70	0.29	-41.31
CCC1OCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616735	1	41	-1.0	-41.58	309.77	0.29	-41.29
COC(=O)COCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616736	0	37	-1.0	-51.85	311.91	0.17	-51.68
COC(=O)COCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616736	1	37	-1.0	-51.84	311.98	0.18	-51.66
CC(C)[C@@H](O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616737	0	37	-1.0	-39.63	286.58	-1.47	-41.10
CC(C)[C@@H](O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616737	1	37	-1.0	-39.63	286.65	-1.47	-41.10
CC(O)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616738	0	38	-1.0	-38.42	292.13	-1.90	-40.32
CC(O)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616738	1	38	-1.0	-38.40	292.19	-1.90	-40.30
CC1(C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616739	0	40	-1.0	-40.26	308.89	1.65	-38.61
CC1(C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616739	1	40	-1.0	-40.23	308.95	1.65	-38.58
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CS1	REAL250004616740	0	34	-1.0	-41.25	289.36	1.03	-40.22
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CS1	REAL250004616740	1	34	-1.0	-41.24	289.43	1.03	-40.21
CC1=COC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1C	REAL250004616741	0	37	-1.0	-41.00	297.92	0.98	-40.02
CC1=COC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1C	REAL250004616741	1	37	-1.0	-41.01	297.98	0.98	-40.03
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CN1	REAL250004616742	0	38	-1.0	-43.46	303.48	0.56	-42.90
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CN1	REAL250004616742	1	38	-1.0	-43.49	303.54	0.57	-42.92
CCC(C)(C#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616743	0	37	-1.0	-42.40	290.88	0.03	-42.37
CCC(C)(C#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616743	1	37	-1.0	-42.39	290.95	0.04	-42.35
O=C(COC(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616744	0	31	-1.0	-42.35	267.14	-0.92	-43.27
O=C(COC(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616744	1	31	-1.0	-42.38	267.21	-0.92	-43.30
COCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616745	0	41	-1.0	-42.95	315.22	-0.20	-43.15
COCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616745	1	41	-1.0	-42.95	315.28	-0.20	-43.15
CN1N=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616746	0	33	-1.0	-41.14	275.95	-1.93	-43.07
CN1N=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616746	1	33	-1.0	-41.10	275.88	-1.93	-43.03
O=C(C1COC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616747	0	33	-1.0	-47.80	274.08	-4.18	-51.98
O=C(C1COC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616747	1	33	-1.0	-47.86	274.15	-4.16	-52.02
CC1=COC(C)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616748	0	37	-1.0	-41.72	307.31	0.99	-40.73
CC1=COC(C)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616748	1	37	-1.0	-41.72	307.37	1.00	-40.72
CON=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616749	0	31	-1.0	-41.73	264.20	-2.13	-43.86
CON=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616749	1	31	-1.0	-41.70	264.27	-2.12	-43.82
CC1=NC=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616750	0	37	-1.0	-46.48	304.39	1.15	-45.33
CC1=NC=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616750	1	37	-1.0	-46.47	304.45	1.15	-45.32
C=CC(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616751	0	35	-1.0	-39.46	278.15	-2.45	-41.91
C=CC(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616751	1	35	-1.0	-39.46	278.22	-2.44	-41.90
CN(C)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616752	1	39	-1.0	-39.67	292.51	-0.10	-39.77
CN(C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616752	1	39	-1.0	-39.68	292.57	-0.10	-39.78
O=C(C1=NC=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616753	0	31	-1.0	-42.74	258.20	-1.15	-43.89
O=C(C1=NC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616753	1	31	-1.0	-42.71	258.13	-1.16	-43.87
CC(C)C#CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616755	0	35	-1.0	-40.56	292.84	1.37	-39.19
CC(C)C#CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616755	1	35	-1.0	-40.54	292.90	1.38	-39.16
O=CN1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616756	0	38	-1.0	-51.98	303.66	-0.61	-52.59
O=CN1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616756	1	38	-1.0	-51.97	303.72	-0.60	-52.57
O=C(CCC1=NNN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616757	0	36	-1.0	-42.11	298.00	-1.81	-43.92
O=C(CCC1=NNN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616757	1	36	-1.0	-42.12	298.07	-1.81	-43.93
CC1=CNN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616758	0	34	-1.0	-44.11	276.72	-0.95	-45.06
CC1=CNN=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616758	1	34	-1.0	-44.16	276.79	-0.95	-45.11
O=C(CCC1(O)CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616759	0	41	-1.0	-42.37	320.34	-1.00	-43.37
O=C(CCC1(O)CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616759	1	41	-1.0	-42.40	320.41	-1.00	-43.40
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC=CCC1	REAL250004616760	0	41	-1.0	-40.06	301.59	1.60	-38.46
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC=CCC1	REAL250004616760	1	41	-1.0	-40.07	301.65	1.60	-38.47
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CS1	REAL250004616761	0	34	-1.0	-40.93	288.13	1.02	-39.91
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CS1	REAL250004616761	1	34	-1.0	-40.99	288.19	1.02	-39.97
O=C(CC1(O)CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616762	0	38	-1.0	-40.09	297.62	-0.58	-40.67
O=C(CC1(O)CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616762	1	38	-1.0	-40.05	297.69	-0.58	-40.63
O=C(CC1CCC2CC21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616763	0	41	-1.0	-40.01	314.27	2.65	-37.36
O=C(CC1CCC2CC21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616763	1	41	-1.0	-40.02	314.33	2.65	-37.37
CC[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616764	0	37	-1.0	-40.57	295.35	1.50	-39.07
CC[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616764	1	37	-1.0	-40.60	295.41	1.51	-39.09
O=C(C1CC1(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616765	0	31	-1.0	-42.13	264.27	0.27	-41.86
O=C(C1CC1(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616765	1	31	-1.0	-42.17	264.34	0.28	-41.89
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004616766	0	43	-1.0	-40.99	311.93	1.74	-39.25
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616766	1	43	-1.0	-40.93	311.99	1.75	-39.18
CCCCCC(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616767	0	43	-1.0	-39.52	335.05	0.13	-39.39
CCCCCC(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616767	1	43	-1.0	-39.52	335.11	0.14	-39.38
O=C(CSC(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616768	0	31	-1.0	-41.18	279.04	0.21	-40.97
O=C(CSC(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616768	1	31	-1.0	-41.20	279.10	0.22	-40.98
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)=C1CCC1	REAL250004616769	0	38	-1.0	-40.21	306.10	1.88	-38.33
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)=C1CCC1	REAL250004616769	1	38	-1.0	-40.24	306.17	1.89	-38.35
CCC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616770	0	39	-1.0	-38.83	315.69	1.18	-37.65
CCC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616770	1	39	-1.0	-38.84	315.76	1.18	-37.66
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616771	0	43	-1.0	-40.47	336.11	2.83	-37.64
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616771	1	43	-1.0	-40.46	336.17	2.83	-37.63
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616772	0	39	-1.0	-40.29	308.15	-0.22	-40.51
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616772	1	39	-1.0	-40.29	308.21	-0.22	-40.51
CC(C)CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616773	0	42	-1.0	-40.48	324.86	2.17	-38.31
CC(C)CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616773	1	42	-1.0	-40.52	324.93	2.18	-38.34
CC1=CN=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616774	0	36	-1.0	-40.65	293.35	0.19	-40.46
CC1=CN=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616774	1	36	-1.0	-40.64	293.29	0.18	-40.46
COCC#CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616775	0	33	-1.0	-41.44	284.21	-0.98	-42.42
COCC#CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616775	1	33	-1.0	-41.43	284.28	-0.97	-42.40
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O=C(C1=NSC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616776	1	30	-1.0	-41.12	261.80	-0.63	-41.75
CCC1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616777	0	43	-1.0	-40.39	317.83	2.51	-37.88
CCC1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616777	1	43	-1.0	-40.43	317.89	2.52	-37.91
C#CCOC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616778	0	36	-1.0	-45.61	299.70	0.70	-44.91
C#CCOC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616778	1	36	-1.0	-45.60	299.77	0.70	-44.90
CCC(C)=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616779	0	37	-1.0	-40.25	293.09	1.38	-38.87
CCC(C)=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616779	1	37	-1.0	-40.25	293.16	1.39	-38.86
O=C(C=CC1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616780	0	39	-1.0	-41.49	311.42	-0.02	-41.51
O=C(C=CC1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616780	1	39	-1.0	-41.48	311.48	-0.01	-41.49
CC1CCCC1(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616781	0	43	-1.0	-39.54	308.69	1.84	-37.70
CC1CCCC1(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616781	1	43	-1.0	-39.53	308.75	1.84	-37.69
O=C(C=CC1=CNN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616782	0	35	-1.0	-45.17	292.46	-0.64	-45.81
O=C(C=CC1=CNN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616782	1	35	-1.0	-45.17	292.40	-0.64	-45.81
O=C(C1=CC(=O)NN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616783	0	33	-1.0	-39.93	282.17	-2.97	-42.90
O=C(C1=CC(=O)NN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616783	1	33	-1.0	-39.91	282.24	-2.97	-42.88
CC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616784	0	35	-1.0	-48.56	285.55	-0.13	-48.69
CC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616784	1	35	-1.0	-48.53	285.61	-0.13	-48.66
O=C([C@@H]1CNC(=O)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616785	0	33	-1.0	-51.36	272.61	-3.80	-55.16
O=C([C@@H]1CNC(=O)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616785	1	33	-1.0	-51.37	272.68	-3.80	-55.17
CC1=NN=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL250004616786	0	32	-1.0	-40.94	280.51	-1.33	-42.27
CC1=NN=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL250004616786	1	32	-1.0	-40.95	280.57	-1.33	-42.28
C=CC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616787	0	37	-1.0	-39.84	279.60	0.31	-39.53
C=CC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616787	1	37	-1.0	-39.81	279.67	0.31	-39.50
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O=C([C@H]1C[C@@H]1C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616789	0	38	-1.0	-40.48	306.44	2.31	-38.17
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CC1=NN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL250004616790	0	37	-1.0	-49.79	304.98	0.29	-49.50
CC1=NN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL250004616790	1	37	-1.0	-49.83	305.04	0.30	-49.53
CNC(=O)NCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616791	0	39	-1.0	-50.74	318.46	-3.70	-54.44
CNC(=O)NCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616791	1	39	-1.0	-50.75	318.52	-3.70	-54.45
CCN1N=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616792	0	36	-1.0	-40.72	297.76	-1.09	-41.81
CCN1N=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616792	1	36	-1.0	-40.71	297.69	-1.09	-41.80
CCC1CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616793	0	37	-1.0	-40.28	290.10	1.51	-38.77
CCC1CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616793	1	37	-1.0	-40.31	290.16	1.51	-38.80
O=C(CC1=NC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616794	0	34	-1.0	-48.04	281.42	-0.94	-48.98
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CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)(F)F	REAL250004616797	0	36	-1.0	-44.83	288.75	0.58	-44.25
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)(F)F	REAL250004616797	1	36	-1.0	-44.87	288.81	0.58	-44.29
CC(O)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004616798	0	41	-1.0	-39.02	310.66	-0.89	-39.91
CC(O)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616798	1	41	-1.0	-39.06	310.72	-0.89	-39.95
CCN1N=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616799	0	36	-1.0	-40.01	293.05	-1.54	-41.55
CCN1N=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616799	1	36	-1.0	-39.97	292.99	-1.55	-41.52
N#CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616800	0	34	-1.0	-48.61	285.15	0.62	-47.99
N#CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616800	1	34	-1.0	-48.64	285.22	0.63	-48.01
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004616801	0	37	-1.0	-41.00	304.49	-0.69	-41.69
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004616801	1	37	-1.0	-40.96	304.56	-0.69	-41.65
CC(F)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616802	0	30	-1.0	-37.13	252.30	-0.61	-37.74
CC(F)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616802	1	30	-1.0	-37.11	252.36	-0.61	-37.72
O=CC1=CNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616803	0	34	-1.0	-43.38	286.42	-0.62	-44.00
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N#CC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616805	1	35	-1.0	-51.75	290.84	0.97	-50.78
CC1=CSC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616806	0	34	-1.0	-40.47	289.08	0.94	-39.53
CC1=CSC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616806	1	34	-1.0	-40.47	289.15	0.95	-39.52
CCCC(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616807	0	40	-1.0	-41.06	313.83	0.74	-40.32
CCCC(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616807	1	40	-1.0	-41.06	313.89	0.74	-40.32
O=C(C1=C(F)C=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616808	0	31	-1.0	-44.64	274.65	0.41	-44.23
O=C(C1=C(F)C=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616808	1	31	-1.0	-44.63	274.71	0.42	-44.21
COCC(C)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616809	0	43	-1.0	-42.07	330.96	0.09	-41.98
COCC(C)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616809	1	43	-1.0	-42.06	331.03	0.09	-41.97
CCC[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616810	0	40	-1.0	-40.41	317.05	2.29	-38.12
CCC[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616810	1	40	-1.0	-40.40	317.11	2.29	-38.11
COC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616811	0	41	-1.0	-41.11	303.44	0.08	-41.03
COC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616811	1	41	-1.0	-41.12	303.50	0.08	-41.04
CC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004616812	0	36	-1.0	-41.52	294.32	-1.30	-42.82
CC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004616812	1	36	-1.0	-41.51	294.38	-1.29	-42.80
CCC(O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616813	0	37	-1.0	-43.88	294.97	-1.53	-45.41
CCC(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616813	1	37	-1.0	-43.91	295.03	-1.52	-45.43
O=C(CCCC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616814	0	40	-1.0	-40.80	317.43	2.45	-38.35
O=C(CCCC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616814	1	40	-1.0	-40.77	317.50	2.45	-38.32
CC(C)(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616815	0	43	-1.0	-39.15	319.71	2.48	-36.67
CC(C)(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616815	1	43	-1.0	-39.11	319.78	2.48	-36.63
N#CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616816	0	32	-1.0	-38.75	272.41	0.05	-38.70
N#CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616816	1	32	-1.0	-38.76	272.47	0.05	-38.71
CN1N=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616817	0	32	-1.0	-42.64	270.78	-2.43	-45.07
CN1N=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616817	1	32	-1.0	-42.68	270.72	-2.43	-45.11
O=C(C1=NOC(CO)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616818	0	34	-1.0	-43.38	287.08	-3.38	-46.76
O=C(C1=NOC(CO)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616818	1	34	-1.0	-43.37	287.14	-3.37	-46.74
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(F)CCCCC1	REAL250004616819	0	40	-1.0	-39.26	303.31	1.53	-37.73
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(F)CCCCC1	REAL250004616819	1	40	-1.0	-39.28	303.37	1.54	-37.74
N#CC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616820	0	34	-1.0	-44.56	293.56	0.68	-43.88
N#CC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616820	1	34	-1.0	-44.59	293.50	0.68	-43.91
O=C(C1CCCSC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616821	0	38	-1.0	-39.79	304.81	1.47	-38.32
O=C(C1CCCSC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616821	1	38	-1.0	-39.80	304.87	1.48	-38.32
CC1CC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616822	0	37	-1.0	-40.78	295.11	1.55	-39.23
CC1CC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616822	1	37	-1.0	-40.80	295.18	1.56	-39.24
CN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004616823	0	33	-1.0	-43.65	276.36	-1.81	-45.46
CN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004616823	1	33	-1.0	-43.61	276.30	-1.81	-45.42
NC(=O)C1CCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616824	0	38	-1.0	-44.22	305.56	-2.80	-47.02
NC(=O)C1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616824	1	38	-1.0	-44.25	305.62	-2.80	-47.05
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616825	0	40	-1.0	-40.49	296.58	1.23	-39.26
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616825	1	40	-1.0	-40.52	296.65	1.24	-39.28
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(F)CCOC1	REAL250004616826	0	35	-1.0	-39.19	277.72	-1.52	-40.71
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(F)CCOC1	REAL250004616826	1	35	-1.0	-39.22	277.78	-1.52	-40.74
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CCF)CC1	REAL250004616827	0	37	-1.0	-41.48	299.80	1.24	-40.24
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CCF)CC1	REAL250004616827	1	37	-1.0	-41.49	299.86	1.24	-40.25
O=C(CN1C=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616828	0	34	-1.0	-46.49	283.67	1.34	-45.15
O=C(CN1C=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616828	1	34	-1.0	-46.49	283.73	1.35	-45.14
N#CC1=CC=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616829	0	34	-1.0	-47.29	294.20	-0.19	-47.48
N#CC1=CC=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616829	1	34	-1.0	-47.24	294.14	-0.20	-47.44
CC1=NN=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616830	0	35	-1.0	-49.67	294.95	-4.75	-54.42
CC1=NN=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616830	1	35	-1.0	-49.67	295.01	-4.75	-54.42
CC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004616831	0	43	-1.0	-39.58	320.55	2.43	-37.15
CC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004616831	1	43	-1.0	-39.60	320.62	2.43	-37.17
N#CCCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616832	0	40	-1.0	-47.62	328.15	2.19	-45.43
N#CCCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616832	1	40	-1.0	-47.62	328.21	2.19	-45.43
CCOC1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616833	0	41	-1.0	-42.62	324.43	0.51	-42.11
CCOC1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616833	1	41	-1.0	-42.65	324.50	0.51	-42.14
O=C(C1CC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616834	0	32	-1.0	-46.80	266.28	-4.44	-51.24
O=C(C1CC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616834	1	32	-1.0	-46.79	266.35	-4.43	-51.22
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC(=O)N1	REAL250004616835	0	35	-1.0	-44.31	293.72	-3.35	-47.66
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC(=O)N1	REAL250004616835	1	35	-1.0	-44.31	293.78	-3.34	-47.65
CC1=NN=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004616836	0	36	-1.0	-54.38	298.06	-0.42	-54.80
CC1=NN=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004616836	1	36	-1.0	-54.41	298.12	-0.41	-54.82
O=C(C1CCNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616837	0	35	-1.0	-41.25	277.17	-3.19	-44.44
O=C(C1CCNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616837	1	35	-1.0	-41.25	277.25	-3.20	-44.45
O=C(C=CC1=NC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616839	0	35	-1.0	-43.74	294.02	-0.26	-44.00
O=C(C=CC1=NC=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616839	1	35	-1.0	-43.80	294.09	-0.26	-44.06
CC1CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616840	0	41	-1.0	-40.02	319.07	2.27	-37.75
CC1CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616840	1	41	-1.0	-39.99	319.13	2.27	-37.72
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616841	0	39	-1.0	-44.42	296.41	-0.41	-44.83
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616841	1	39	-1.0	-44.41	296.48	-0.41	-44.82
CC(C)CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616842	0	45	-1.0	-40.49	346.36	2.95	-37.54
CC(C)CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616842	1	45	-1.0	-40.45	346.42	2.96	-37.49
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCCO1	REAL250004616843	0	41	-1.0	-38.18	304.07	0.43	-37.75
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCCO1	REAL250004616843	1	41	-1.0	-38.19	304.13	0.43	-37.76
O=C(CC1CC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616844	0	35	-1.0	-47.19	288.25	-3.35	-50.54
O=C(CC1CC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616844	1	35	-1.0	-47.16	288.32	-3.35	-50.51
O=C(C1CCOC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616845	0	36	-1.0	-48.52	290.64	-3.10	-51.62
O=C(C1CCOC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616845	1	36	-1.0	-48.52	290.72	-3.10	-51.62
O=C(CCC1=CNN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616846	0	37	-1.0	-43.62	304.12	-0.40	-44.02
O=C(CCC1=CNN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616846	1	37	-1.0	-43.62	304.06	-0.40	-44.02
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004616847	0	40	-1.0	-40.60	309.40	1.83	-38.77
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616847	1	40	-1.0	-40.62	309.46	1.84	-38.78
CCC(C)(C)OCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616848	0	43	-1.0	-42.93	328.51	1.48	-41.45
CCC(C)(C)OCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616848	1	43	-1.0	-42.94	328.58	1.48	-41.46
O=C(C#CC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616849	0	33	-1.0	-40.79	282.52	1.54	-39.25
O=C(C#CC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616849	1	33	-1.0	-40.81	282.58	1.55	-39.26
CC(C)(C)C#CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616850	0	38	-1.0	-40.47	313.00	1.90	-38.57
CC(C)(C)C#CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616850	1	38	-1.0	-40.48	313.07	1.90	-38.58
CC1=NON=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616851	0	35	-1.0	-46.50	294.12	-1.19	-47.69
CC1=NON=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616851	1	35	-1.0	-46.55	294.18	-1.18	-47.73
CC1=CN(C)N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616852	0	37	-1.0	-45.00	299.59	0.38	-44.62
CC1=CN(C)N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616852	1	37	-1.0	-44.98	299.52	0.37	-44.61
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCOC1	REAL250004616853	0	36	-1.0	-40.21	283.71	-4.52	-44.73
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCOC1	REAL250004616853	1	36	-1.0	-40.22	283.78	-4.52	-44.74
O=C(C(O)C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616854	0	38	-1.0	-39.49	294.40	-1.16	-40.65
O=C(C(O)C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616854	1	38	-1.0	-39.45	294.47	-1.16	-40.61
CCC(CC(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616855	0	45	-1.0	-40.46	332.32	2.16	-38.30
CCC(CC(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616855	1	45	-1.0	-40.43	332.38	2.16	-38.27
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N(C)N=C1	REAL250004616856	0	37	-1.0	-40.27	305.88	-0.18	-40.45
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N(C)N=C1	REAL250004616856	1	37	-1.0	-40.26	305.82	-0.18	-40.44
COCC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616857	0	43	-1.0	-41.00	327.60	0.44	-40.56
COCC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616857	1	43	-1.0	-41.03	327.66	0.44	-40.59
O=C(C1CCC(F)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616858	0	40	-1.0	-43.97	308.93	1.78	-42.19
O=C(C1CCC(F)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616858	1	40	-1.0	-43.99	308.99	1.79	-42.20
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616859	0	33	-1.0	-41.60	281.55	0.42	-41.18
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616859	1	33	-1.0	-41.61	281.61	0.43	-41.18
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004616860	0	35	-1.0	-42.91	289.19	-0.44	-43.35
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004616860	1	35	-1.0	-42.93	289.26	-0.44	-43.37
COC(CC(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616861	0	43	-1.0	-39.92	331.57	1.31	-38.61
COC(CC(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616861	1	43	-1.0	-39.92	331.63	1.31	-38.61
O=C(C1CCC2CC2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616862	0	41	-1.0	-39.59	311.65	2.37	-37.22
O=C(C1CCC2CC2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616862	1	41	-1.0	-39.61	311.72	2.37	-37.24
O=C(C1CC12CC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616863	0	35	-1.0	-41.05	285.06	1.53	-39.52
O=C(C1CC12CC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616863	1	35	-1.0	-41.05	285.12	1.54	-39.51
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1(F)F	REAL250004616864	0	34	-1.0	-38.39	283.38	0.48	-37.91
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1(F)F	REAL250004616864	1	34	-1.0	-38.41	283.45	0.49	-37.92
C=CC(=O)N(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616865	0	38	-1.0	-50.55	311.73	-0.14	-50.69
C=CC(=O)N(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616865	1	38	-1.0	-50.56	311.80	-0.13	-50.69
O=C(CC1=NN=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616866	0	33	-1.0	-54.45	276.06	-0.27	-54.72
O=C(CC1=NN=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616866	1	33	-1.0	-54.44	276.13	-0.27	-54.71
O=C(C(F)=C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616867	0	35	-1.0	-39.25	284.98	1.31	-37.94
O=C(C(F)=C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616867	1	35	-1.0	-39.27	285.04	1.32	-37.95
CC1CCCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616868	0	43	-1.0	-39.24	310.88	2.01	-37.23
CC1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616868	1	43	-1.0	-39.22	310.94	2.02	-37.20
NC1=NN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL250004616869	0	35	-1.0	-50.57	293.30	0.71	-49.86
NC1=NN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL250004616869	1	35	-1.0	-50.48	293.23	0.70	-49.78
O=C(C1CCCC(F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616870	0	40	-1.0	-40.08	308.24	1.77	-38.31
O=C(C1CCCC(F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616870	1	40	-1.0	-40.09	308.30	1.77	-38.32
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1F	REAL250004616871	0	34	-1.0	-44.66	275.96	0.48	-44.18
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1F	REAL250004616871	1	34	-1.0	-44.64	276.02	0.48	-44.16
C=C(C)C(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616872	0	40	-1.0	-40.94	293.92	1.16	-39.78
C=C(C)C(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616872	1	40	-1.0	-40.97	293.98	1.17	-39.80
CN1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC1=O	REAL250004616873	0	37	-1.0	-47.53	299.37	-3.03	-50.56
CN1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC1=O	REAL250004616873	1	37	-1.0	-47.58	299.43	-3.02	-50.60
CCC(CC)(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616874	0	43	-1.0	-43.57	311.96	-2.29	-45.86
CCC(CC)(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616874	1	43	-1.0	-43.53	312.02	-2.29	-45.82
O=C(C1CC2(CCC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616875	0	41	-1.0	-39.95	317.94	2.43	-37.52
O=C(C1CC2(CCC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616875	1	41	-1.0	-39.96	318.01	2.43	-37.53
CCN1C=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616876	0	37	-1.0	-44.37	302.12	0.54	-43.83
CCN1C=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616876	1	37	-1.0	-44.36	302.05	0.53	-43.83
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(F)CC1	REAL250004616877	0	31	-1.0	-37.10	259.01	0.06	-37.04
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(F)CC1	REAL250004616877	1	31	-1.0	-37.09	259.07	0.06	-37.03
O=C(C=CC1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616878	0	41	-1.0	-40.53	321.30	2.62	-37.91
O=C(C=CC1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616878	1	41	-1.0	-40.56	321.36	2.62	-37.94
COC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616879	0	35	-1.0	-38.70	283.49	-0.83	-39.53
COC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616879	1	35	-1.0	-38.71	283.55	-0.83	-39.54
O=C(C1CCC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616880	0	36	-1.0	-43.10	288.88	0.23	-42.87
O=C(C1CCC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616880	1	36	-1.0	-43.11	288.94	0.24	-42.87
COCC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616882	0	41	-1.0	-39.78	326.79	0.45	-39.33
COCC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616882	1	41	-1.0	-39.80	326.85	0.45	-39.35
CN1C=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004616883	0	37	-1.0	-49.18	304.87	0.08	-49.10
CN1C=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004616883	1	37	-1.0	-49.16	304.93	0.08	-49.08
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CF)CCC1	REAL250004616884	0	37	-1.0	-40.38	285.52	0.70	-39.68
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CF)CCC1	REAL250004616884	1	37	-1.0	-40.39	285.58	0.71	-39.68
CC1=NOC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616885	0	33	-1.0	-42.22	276.45	-0.47	-42.69
CC1=NOC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616885	1	33	-1.0	-42.21	276.52	-0.47	-42.68
O=C(C1CCCNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616886	0	38	-1.0	-47.53	299.41	-1.11	-48.64
O=C(C1CCCNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616886	1	38	-1.0	-47.51	299.48	-1.11	-48.62
CN1C(=O)NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616887	0	35	-1.0	-44.68	294.05	-1.88	-46.56
CN1C(=O)NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616887	1	35	-1.0	-44.64	294.12	-1.88	-46.52
CC=C(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616888	0	31	-1.0	-37.86	260.10	-0.09	-37.95
CC=C(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616888	1	31	-1.0	-37.85	260.17	-0.09	-37.94
CCC=C(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616889	0	34	-1.0	-38.39	278.84	0.64	-37.75
CCC=C(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616889	1	34	-1.0	-38.34	278.91	0.65	-37.69
O=C(CC1CSC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616890	0	35	-1.0	-43.18	290.49	1.02	-42.16
O=C(CC1CSC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616890	1	35	-1.0	-43.14	290.55	1.03	-42.11
COC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616891	0	35	-1.0	-38.47	292.29	-0.12	-38.59
COC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616891	1	35	-1.0	-38.50	292.36	-0.12	-38.62
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC=N1	REAL250004616893	0	34	-1.0	-41.43	283.23	-0.50	-41.93
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC=N1	REAL250004616893	1	34	-1.0	-41.41	283.29	-0.50	-41.91
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC=N1	REAL250004616894	0	37	-1.0	-42.12	300.94	0.08	-42.04
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NC=N1	REAL250004616894	1	37	-1.0	-42.14	301.00	0.08	-42.06
COC(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616895	0	35	-1.0	-41.55	278.01	-1.58	-43.13
COC(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616895	1	35	-1.0	-41.57	278.07	-1.57	-43.14
N#CCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616896	0	37	-1.0	-44.76	306.65	1.40	-43.36
N#CCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616896	1	37	-1.0	-44.78	306.71	1.41	-43.37
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CF)CC1	REAL250004616897	0	34	-1.0	-40.14	276.24	0.51	-39.63
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CF)CC1	REAL250004616897	1	34	-1.0	-40.15	276.31	0.51	-39.64
O=C(C1=COC(CO)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616898	0	35	-1.0	-43.37	292.91	-3.16	-46.53
O=C(C1=COC(CO)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616898	1	35	-1.0	-43.38	292.97	-3.15	-46.53
O=C(C1CSC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616899	0	32	-1.0	-39.19	267.81	0.18	-39.01
O=C(C1CSC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616899	1	32	-1.0	-39.20	267.88	0.18	-39.02
C[C@H]1CC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616900	0	43	-1.0	-38.53	323.52	2.29	-36.24
C[C@H]1CC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616900	1	43	-1.0	-38.54	323.59	2.29	-36.25
CCC(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616901	0	37	-1.0	-43.56	288.31	-2.84	-46.40
CCC(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616901	1	37	-1.0	-43.59	288.37	-2.84	-46.43
O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616902	0	41	-1.0	-40.40	322.46	2.82	-37.58
O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616902	1	41	-1.0	-40.40	322.53	2.82	-37.58
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1COC2	REAL250004616903	0	36	-1.0	-41.49	285.15	-0.93	-42.42
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1COC2	REAL250004616903	1	36	-1.0	-41.52	285.21	-0.93	-42.45
CCC1=NOC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616904	0	36	-1.0	-42.07	297.95	0.27	-41.80
CCC1=NOC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616904	1	36	-1.0	-42.08	298.01	0.28	-41.80
CCC(C#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616905	0	34	-1.0	-38.70	279.84	-0.06	-38.76
CCC(C#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616905	1	34	-1.0	-38.70	279.91	-0.05	-38.75
CCCC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616906	0	42	-1.0	-40.65	308.61	1.27	-39.38
CCCC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616906	1	42	-1.0	-40.66	308.67	1.27	-39.39
CC(=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004616907	0	43	-1.0	-39.49	325.77	2.27	-37.22
CC(=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004616907	1	43	-1.0	-39.49	325.83	2.28	-37.21
CSC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616908	0	37	-1.0	-41.89	291.54	0.30	-41.59
CSC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616908	1	37	-1.0	-41.89	291.60	0.30	-41.59
CC(C)(O)C(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616909	0	38	-1.0	-41.80	286.80	-4.29	-46.09
CC(C)(O)C(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616909	1	38	-1.0	-41.81	286.86	-4.29	-46.10
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC(=O)C1	REAL250004616910	0	36	-1.0	-40.47	285.61	-0.16	-40.63
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC(=O)C1	REAL250004616910	1	36	-1.0	-40.48	285.67	-0.16	-40.64
CCC(O)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616911	0	40	-1.0	-43.66	311.15	-2.00	-45.66
CCC(O)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616911	1	40	-1.0	-43.68	311.22	-1.99	-45.67
O=C(C1CC2CC2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616912	0	38	-1.0	-39.67	291.13	1.68	-37.99
O=C(C1CC2CC2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616912	1	38	-1.0	-39.68	291.19	1.68	-38.00
CC=CC(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616913	0	35	-1.0	-39.87	282.88	-1.68	-41.55
CC=CC(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616913	1	35	-1.0	-39.89	282.95	-1.67	-41.56
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCNC1=O	REAL250004616914	0	38	-1.0	-43.73	289.65	-2.96	-46.69
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCNC1=O	REAL250004616914	1	38	-1.0	-43.72	289.71	-2.96	-46.68
O=C(C1CCCC2CC21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616915	0	41	-1.0	-40.00	310.97	2.32	-37.68
O=C(C1CCCC2CC21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616915	1	41	-1.0	-40.02	311.03	2.32	-37.70
CC1=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC=C1	REAL250004616916	0	37	-1.0	-43.65	304.16	1.09	-42.56
CC1=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC=C1	REAL250004616916	1	37	-1.0	-43.63	304.23	1.10	-42.53
CCCCC(C)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616917	0	42	-1.0	-39.58	323.21	1.86	-37.72
CCCCC(C)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616917	1	42	-1.0	-39.59	323.27	1.86	-37.73
CC1(C)CCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616919	0	40	-1.0	-39.84	301.84	1.53	-38.31
CC1(C)CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616919	1	40	-1.0	-39.83	301.90	1.53	-38.30
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616920	0	41	-1.0	-43.75	309.82	1.09	-42.66
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616920	1	41	-1.0	-43.76	309.88	1.10	-42.66
O=C(COCC(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616921	0	34	-1.0	-49.10	290.39	-0.01	-49.11
O=C(COCC(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616921	1	34	-1.0	-49.08	290.45	0.00	-49.08
COC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CO1	REAL250004616922	0	34	-1.0	-41.62	287.18	-3.44	-45.06
COC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CO1	REAL250004616922	1	34	-1.0	-41.59	287.12	-3.44	-45.03
CCCC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616923	0	37	-1.0	-40.86	297.90	1.45	-39.41
CCCC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616923	1	37	-1.0	-40.84	297.96	1.46	-39.38
O=C(C1=NC=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616924	0	33	-1.0	-46.72	277.04	0.48	-46.24
O=C(C1=NC=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616924	1	33	-1.0	-46.72	276.98	0.47	-46.25
CC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004616925	0	33	-1.0	-40.43	276.35	-2.87	-43.30
CC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004616925	1	33	-1.0	-40.41	276.42	-2.86	-43.27
CC1=COC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616926	0	34	-1.0	-42.26	282.49	0.17	-42.09
CC1=COC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616926	1	34	-1.0	-42.22	282.55	0.17	-42.05
COCC(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616927	0	38	-1.0	-40.57	306.00	-1.53	-42.10
COCC(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616927	1	38	-1.0	-40.60	306.07	-1.53	-42.13
C[C@H](C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N(C)C	REAL250004616930	1	38	-1.0	-41.16	286.53	-2.17	-43.33
C[C@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N(C)C	REAL250004616930	1	38	-1.0	-41.17	286.59	-2.17	-43.34
CCC(C)(C)C(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616931	0	43	-1.0	-38.49	306.87	-0.56	-39.05
CCC(C)(C)C(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616931	1	43	-1.0	-38.48	306.93	-0.55	-39.03
CCCC(OCC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616933	0	43	-1.0	-40.40	336.20	1.73	-38.67
CCCC(OCC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616933	1	43	-1.0	-40.38	336.26	1.74	-38.64
COC1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004616934	0	38	-1.0	-39.33	301.84	-0.47	-39.80
COC1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004616934	1	38	-1.0	-39.32	301.91	-0.46	-39.78
CCOC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004616935	0	41	-1.0	-42.85	320.74	1.69	-41.16
CCOC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616935	1	41	-1.0	-42.84	320.80	1.70	-41.14
CC(CF)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616936	0	33	-1.0	-38.43	267.03	-0.08	-38.51
CC(CF)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616936	1	33	-1.0	-38.44	267.10	-0.08	-38.52
O=C([C@@H]1COC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616937	0	33	-1.0	-48.00	273.97	-4.19	-52.19
O=C([C@@H]1COC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616937	1	33	-1.0	-48.05	274.04	-4.19	-52.24
O=C(CC1=CSC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616938	0	33	-1.0	-44.48	286.33	-0.50	-44.98
O=C(CC1=CSC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616938	1	33	-1.0	-44.52	286.39	-0.49	-45.01
CC1=CN=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616939	0	37	-1.0	-46.13	304.81	1.84	-44.29
CC1=CN=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616939	1	37	-1.0	-46.08	304.75	1.84	-44.24
CCOC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004616940	0	41	-1.0	-38.33	318.44	0.63	-37.70
CCOC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616940	1	41	-1.0	-38.32	318.51	0.63	-37.69
CCC(F)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616941	0	33	-1.0	-36.89	272.21	0.10	-36.79
CCC(F)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616941	1	33	-1.0	-36.89	272.27	0.11	-36.78
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004616942	0	41	-1.0	-41.12	317.30	1.37	-39.75
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616942	1	41	-1.0	-41.13	317.36	1.37	-39.76
CCN1C=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004616943	0	37	-1.0	-45.69	302.41	2.30	-43.39
CCN1C=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004616943	1	37	-1.0	-45.71	302.34	2.30	-43.41
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616944	0	36	-1.0	-39.56	288.56	-0.54	-40.10
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616944	1	36	-1.0	-39.57	288.62	-0.54	-40.11
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616945	0	38	-1.0	-39.96	293.41	1.75	-38.21
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CC1(C#CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616997	0	36	-1.0	-40.75	303.48	2.05	-38.70
CC1(C#CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616997	1	36	-1.0	-40.74	303.54	2.06	-38.68
CN1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616998	1	42	-1.0	-40.30	314.56	-0.71	-41.01
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NC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004617004	1	35	-1.0	-41.29	287.27	-1.74	-43.03
CCCC(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617005	0	42	-1.0	-39.73	321.75	1.92	-37.81
CCCC(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617005	1	42	-1.0	-39.77	321.81	1.92	-37.85
O=C(C1C2(CC2)C12CC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617006	0	39	-1.0	-40.82	317.71	3.02	-37.80
O=C(C1C2(CC2)C12CC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617006	1	39	-1.0	-40.78	317.77	3.02	-37.76
O=C(C1CCC=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617007	0	41	-1.0	-40.40	311.23	2.18	-38.22
O=C(C1CCC=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617007	1	41	-1.0	-40.39	311.30	2.18	-38.21
CC1=COC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617008	0	34	-1.0	-40.95	281.48	0.34	-40.61
CC1=COC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617008	1	34	-1.0	-40.91	281.55	0.35	-40.56
C[C@@]1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC(=O)N1	REAL250004617009	0	38	-1.0	-41.83	295.54	-2.04	-43.87
C[C@@]1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC(=O)N1	REAL250004617009	1	38	-1.0	-41.87	295.60	-2.03	-43.90
NC1=CC=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617010	0	35	-1.0	-43.53	287.64	-1.73	-45.26
NC1=CC=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617010	1	35	-1.0	-43.52	287.70	-1.73	-45.25
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617011	0	41	-1.0	-40.90	327.34	3.14	-37.76
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617011	1	41	-1.0	-40.92	327.41	3.14	-37.78
C=CC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617012	0	40	-1.0	-38.89	304.65	1.63	-37.26
C=CC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617012	1	40	-1.0	-38.84	304.72	1.63	-37.21
O=C(COC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617013	0	35	-1.0	-44.08	287.76	0.47	-43.61
O=C(COC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617013	1	35	-1.0	-44.04	287.82	0.47	-43.57
O=C(C1=CC(=O)C=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617014	0	34	-1.0	-45.99	288.13	-1.01	-47.00
O=C(C1=CC(=O)C=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617014	1	34	-1.0	-46.02	288.20	-1.01	-47.03
O=C(C1=CSN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617015	0	30	-1.0	-39.77	263.39	-0.95	-40.72
O=C(C1=CSN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617015	1	30	-1.0	-39.72	263.33	-0.95	-40.67
CC1=CN(C)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617016	0	38	-1.0	-46.12	308.20	1.61	-44.51
CC1=CN(C)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617016	1	38	-1.0	-46.09	308.26	1.62	-44.47
O=C(C1=CC=C(F)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617017	0	31	-1.0	-38.08	265.74	-0.34	-38.42
O=C(C1=CC=C(F)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617017	1	31	-1.0	-38.07	265.81	-0.33	-38.40
CC1COC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617018	0	38	-1.0	-43.60	295.91	0.32	-43.28
CC1COC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617018	1	38	-1.0	-43.57	295.97	0.32	-43.25
CCN1CCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617019	0	39	-1.0	-39.39	297.95	-2.27	-41.66
CCN1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617019	1	39	-1.0	-39.42	298.01	-2.27	-41.69
CCC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NO1	REAL250004617020	0	36	-1.0	-40.40	297.17	0.76	-39.64
CCC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NO1	REAL250004617020	1	36	-1.0	-40.37	297.23	0.77	-39.60
O=C(CCCCCO)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617022	0	40	-1.0	-43.64	318.72	-1.67	-45.31
O=C(CCCCCO)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617022	1	40	-1.0	-43.68	318.78	-1.66	-45.34
C=C1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004617023	0	41	-1.0	-38.76	315.45	2.12	-36.64
C=C1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004617023	1	41	-1.0	-38.77	315.51	2.12	-36.65
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCO1	REAL250004617024	0	41	-1.0	-42.87	315.32	0.01	-42.86
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCO1	REAL250004617024	1	41	-1.0	-42.87	315.38	0.01	-42.86
NC1=NN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004617025	0	34	-1.0	-47.81	289.54	-2.01	-49.82
NC1=NN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004617025	1	34	-1.0	-47.79	289.47	-2.02	-49.81
O=C(C1=CC=NS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617026	0	30	-1.0	-39.51	262.00	-1.08	-40.59
O=C(C1=CC=NS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617026	1	30	-1.0	-39.48	261.93	-1.08	-40.56
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CC2)CCC1	REAL250004617027	0	41	-1.0	-40.50	304.47	2.47	-38.03
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CC2)CCC1	REAL250004617027	1	41	-1.0	-40.50	304.53	2.47	-38.03
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CC2)CC1	REAL250004617028	0	38	-1.0	-41.06	286.67	1.69	-39.37
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CC2)CC1	REAL250004617028	1	38	-1.0	-41.07	286.73	1.70	-39.37
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617029	0	37	-1.0	-49.18	305.94	1.15	-48.03
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617029	1	37	-1.0	-49.22	306.00	1.15	-48.07
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617030	0	41	-1.0	-38.44	312.58	2.19	-36.25
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617030	1	41	-1.0	-38.45	312.64	2.19	-36.26
C#CCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617031	0	33	-1.0	-44.39	293.10	1.23	-43.16
C#CCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617031	1	33	-1.0	-44.38	293.17	1.23	-43.15
O=C(C1=NC=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617032	0	32	-1.0	-45.38	270.06	-0.83	-46.21
O=C(C1=NC=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617032	1	32	-1.0	-45.40	270.00	-0.84	-46.24
O=C(C1C2CCC(=O)C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617033	0	37	-1.0	-41.31	291.45	0.70	-40.61
O=C(C1C2CCC(=O)C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617033	1	37	-1.0	-41.30	291.51	0.70	-40.60
CC1=NOC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617034	0	38	-1.0	-41.27	301.95	-0.53	-41.80
CC1=NOC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617034	1	38	-1.0	-41.29	302.01	-0.52	-41.81
C=C(CC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617035	0	34	-1.0	-41.02	279.32	0.43	-40.59
C=C(CC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617035	1	34	-1.0	-41.00	279.38	0.44	-40.56
CCOC1C(C)C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617036	0	41	-1.0	-39.08	327.72	0.79	-38.29
CCOC1C(C)C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617036	1	41	-1.0	-39.08	327.78	0.79	-38.29
O=C(CCN1C=NN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617037	0	35	-1.0	-45.91	293.82	-0.53	-46.44
O=C(CCN1C=NN=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617037	1	35	-1.0	-45.93	293.76	-0.53	-46.46
NC1=CC=NN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617038	0	36	-1.0	-44.99	298.29	-1.55	-46.54
NC1=CC=NN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617038	1	36	-1.0	-44.97	298.23	-1.55	-46.52
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1CCC2	REAL250004617039	0	38	-1.0	-40.90	293.76	1.56	-39.34
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1CCC2	REAL250004617039	1	38	-1.0	-40.90	293.82	1.56	-39.34
O=C(CC1CC=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617040	0	41	-1.0	-40.75	314.67	2.52	-38.23
O=C(CC1CC=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617040	1	41	-1.0	-40.76	314.73	2.53	-38.23
C=C(CC(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617042	0	40	-1.0	-40.42	314.46	1.75	-38.67
C=C(CC(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617042	1	40	-1.0	-40.44	314.53	1.76	-38.68
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CCC1	REAL250004617043	0	38	-1.0	-40.12	287.57	1.10	-39.02
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CCC1	REAL250004617043	1	38	-1.0	-40.14	287.63	1.10	-39.04
CCCCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004617044	0	43	-1.0	-40.88	336.21	2.66	-38.22
CCCCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004617044	1	43	-1.0	-40.89	336.27	2.66	-38.23
CCC[C@H](O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617045	0	37	-1.0	-40.39	291.42	-1.47	-41.86
CCC[C@H](O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617045	1	37	-1.0	-40.38	291.48	-1.46	-41.84
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)(F)CO	REAL250004617046	0	31	-1.0	-40.74	261.96	-2.63	-43.37
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)(F)CO	REAL250004617046	1	31	-1.0	-40.74	262.02	-2.63	-43.37
CCOC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617047	0	35	-1.0	-40.99	288.37	-0.45	-41.44
CCOC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617047	1	35	-1.0	-41.03	288.43	-0.45	-41.48
CC1=COC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004617048	0	33	-1.0	-42.61	276.26	-3.22	-45.83
CC1=COC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004617048	1	33	-1.0	-42.59	276.32	-3.21	-45.80
CCC(C)(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617049	0	37	-1.0	-39.19	284.84	-2.50	-41.69
CCC(C)(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617049	1	37	-1.0	-39.22	284.90	-2.49	-41.71
C=CC(CC)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617050	0	40	-1.0	-40.31	314.34	1.93	-38.38
C=CC(CC)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617050	1	40	-1.0	-40.29	314.41	1.93	-38.36
CCN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004617051	0	36	-1.0	-43.39	297.93	-0.93	-44.32
CCN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004617051	1	36	-1.0	-43.40	297.87	-0.93	-44.33
CC[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617052	0	41	-1.0	-40.77	313.39	-0.01	-40.78
CC[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617052	1	41	-1.0	-40.74	313.46	-0.01	-40.75
CN1C(=O)CC[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617054	0	38	-1.0	-46.66	301.33	-0.78	-47.44
CN1C(=O)CC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617054	1	38	-1.0	-46.67	301.39	-0.78	-47.45
O=C(C1CCCCC1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617055	0	40	-1.0	-41.87	309.39	1.82	-40.05
O=C(C1CCCCC1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617055	1	40	-1.0	-41.86	309.46	1.81	-40.05
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC=CC1	REAL250004617056	0	38	-1.0	-39.26	286.69	1.13	-38.13
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC=CC1	REAL250004617056	1	38	-1.0	-39.27	286.76	1.13	-38.14
CC(C)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)COC1	REAL250004617057	0	41	-1.0	-41.74	299.34	-1.11	-42.85
CC(C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)COC1	REAL250004617057	1	41	-1.0	-41.73	299.41	-1.10	-42.83
CN1C=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004617058	0	36	-1.0	-51.70	298.89	-1.15	-52.85
CN1C=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004617058	1	36	-1.0	-51.71	298.96	-1.15	-52.86
O=C(CC1=CN=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617059	0	35	-1.0	-44.69	292.52	0.33	-44.36
O=C(CC1=CN=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617059	1	35	-1.0	-44.70	292.45	0.33	-44.37
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN=N1	REAL250004617060	0	35	-1.0	-40.07	289.32	-1.01	-41.08
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN=N1	REAL250004617060	1	35	-1.0	-40.06	289.38	-1.00	-41.06
CC[C@H](C)[C@H](O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617061	0	40	-1.0	-38.74	296.90	-1.05	-39.79
CC[C@H](C)[C@H](O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617061	1	40	-1.0	-38.78	296.96	-1.04	-39.82
O=C(C=CCO)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617065	0	32	-1.0	-44.32	266.41	-3.45	-47.77
O=C(C=CCO)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617065	1	32	-1.0	-44.32	266.48	-3.44	-47.76
C[C@@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=NN=N1	REAL250004617066	0	35	-1.0	-45.35	288.38	-1.09	-46.44
C[C@@H](C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=NN=N1	REAL250004617066	1	35	-1.0	-45.38	288.31	-1.10	-46.48
CNC(=O)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617067	0	37	-1.0	-42.70	302.41	-2.35	-45.05
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CC1(C)CC1CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617069	0	43	-1.0	-40.55	335.95	2.82	-37.73
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COC1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617070	0	41	-1.0	-39.58	318.64	0.16	-39.42
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CCC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN1	REAL250004617077	0	37	-1.0	-44.53	301.53	0.20	-44.33
CCC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN1	REAL250004617077	1	37	-1.0	-44.54	301.59	0.20	-44.34
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CC1=NOC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617079	0	36	-1.0	-44.64	299.63	0.31	-44.33
CC1=NOC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617079	1	36	-1.0	-44.62	299.70	0.31	-44.31
COC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004617080	0	38	-1.0	-43.57	305.57	0.30	-43.27
COC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004617080	1	38	-1.0	-43.55	305.63	0.30	-43.25
CC1=NSC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617081	0	33	-1.0	-39.39	283.63	-0.50	-39.89
CC1=NSC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617081	1	33	-1.0	-39.42	283.70	-0.49	-39.91
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CC1(C)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617096	0	38	-1.0	-41.08	301.11	1.64	-39.44
CC1(C)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617096	1	38	-1.0	-41.09	301.18	1.65	-39.44
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O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CO)CCCO1	REAL250004617099	1	39	-1.0	-41.50	297.04	-3.09	-44.59
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CO)CCC1	REAL250004617100	0	38	-1.0	-41.79	289.74	-2.11	-43.90
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CO)CCC1	REAL250004617100	1	38	-1.0	-41.80	289.80	-2.10	-43.90
CC(O)C(F)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617101	0	34	-1.0	-38.64	281.70	-2.23	-40.87
CC(O)C(F)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617101	1	34	-1.0	-38.63	281.76	-2.22	-40.85
N#C[C@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617102	0	32	-1.0	-51.04	269.76	0.37	-50.67
N#C[C@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617102	1	32	-1.0	-51.06	269.82	0.37	-50.69
C=C(C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617103	0	37	-1.0	-39.89	298.72	1.33	-38.56
C=C(C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617103	1	37	-1.0	-39.88	298.78	1.33	-38.55
CCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004617104	0	42	-1.0	-39.64	304.02	1.53	-38.11
CCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004617104	1	42	-1.0	-39.70	304.08	1.54	-38.16
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CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NN1C	REAL250004617106	0	37	-1.0	-44.78	300.25	0.18	-44.60
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NN1C	REAL250004617106	1	37	-1.0	-44.79	300.31	0.19	-44.60
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O=C(C#CC1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617108	0	37	-1.0	-41.57	307.52	0.23	-41.34
O=C(C#CC1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617108	1	37	-1.0	-41.59	307.58	0.24	-41.35
O=C(C1=CC=C(Cl)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617109	0	32	-1.0	-38.18	279.29	0.03	-38.15
O=C(C1=CC=C(Cl)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617109	1	32	-1.0	-38.23	279.35	0.04	-38.19
CC1=C(C)NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617110	0	38	-1.0	-42.51	304.50	0.83	-41.68
CC1=C(C)NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617110	1	38	-1.0	-42.52	304.56	0.84	-41.68
CC1OCCC1(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617111	0	38	-1.0	-39.23	290.39	-0.60	-39.83
CC1OCCC1(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617111	1	38	-1.0	-39.21	290.45	-0.60	-39.81
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)=C1CC1	REAL250004617112	0	35	-1.0	-40.71	289.19	1.36	-39.35
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)=C1CC1	REAL250004617112	1	35	-1.0	-40.73	289.25	1.36	-39.37
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)COC1	REAL250004617113	0	33	-1.0	-39.67	268.09	-4.71	-44.38
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)COC1	REAL250004617113	1	33	-1.0	-39.61	268.15	-4.71	-44.32
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC=N1	REAL250004617114	0	36	-1.0	-40.69	293.40	-2.39	-43.08
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC=N1	REAL250004617114	1	36	-1.0	-40.71	293.46	-2.38	-43.09
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O=C(C1=CCCS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617115	1	33	-1.0	-41.20	277.53	0.53	-40.67
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CC(=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004617116	1	40	-1.0	-40.16	309.99	1.87	-38.29
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=CS1	REAL250004617117	0	33	-1.0	-42.43	279.52	-0.04	-42.47
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=CS1	REAL250004617117	1	33	-1.0	-42.43	279.46	-0.04	-42.47
CC1(C)CC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617118	0	43	-1.0	-40.49	317.75	1.74	-38.75
CC1(C)CC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617118	1	43	-1.0	-40.51	317.81	1.74	-38.77
CSC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004617119	0	40	-1.0	-40.46	314.59	1.45	-39.01
CSC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004617119	1	40	-1.0	-40.42	314.66	1.46	-38.96
O=C(C1CC(F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617120	0	34	-1.0	-38.93	275.13	0.65	-38.28
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CCC(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617121	0	33	-1.0	-40.23	269.45	0.11	-40.12
CCC(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617121	1	33	-1.0	-40.26	269.52	0.12	-40.14
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O=C(CCC1=NNC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617124	0	37	-1.0	-43.76	304.09	-0.51	-44.27
O=C(CCC1=NNC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617124	1	37	-1.0	-43.74	304.16	-0.50	-44.24
CC1CC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617125	0	40	-1.0	-40.51	303.07	1.37	-39.14
CC1CC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617125	1	40	-1.0	-40.53	303.13	1.37	-39.16
CCC1=CNC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617126	0	38	-1.0	-46.38	305.65	0.65	-45.73
CCC1=CNC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617126	1	38	-1.0	-46.41	305.71	0.66	-45.75
C#CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL250004617127	0	39	-1.0	-39.66	304.44	1.78	-37.88
C#CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL250004617127	1	39	-1.0	-39.66	304.51	1.78	-37.88
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC(C#N)C1	REAL250004617128	0	38	-1.0	-47.63	302.62	1.08	-46.55
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC(C#N)C1	REAL250004617128	1	38	-1.0	-47.66	302.68	1.08	-46.58
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CO)CC1	REAL250004617129	0	35	-1.0	-45.41	282.53	-2.91	-48.32
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CO)CC1	REAL250004617129	1	35	-1.0	-45.39	282.60	-2.91	-48.30
O=C(CC1(O)CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617130	0	39	-1.0	-41.72	303.37	-2.79	-44.51
O=C(CC1(O)CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617130	1	39	-1.0	-41.71	303.44	-2.79	-44.50
CN(C)C(=O)C=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617131	0	38	-1.0	-41.88	310.14	-0.63	-42.51
CN(C)C(=O)C=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617131	1	38	-1.0	-41.92	310.20	-0.63	-42.55
O=C(CC1=CNN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617132	0	34	-1.0	-45.47	282.73	-1.20	-46.67
O=C(CC1=CNN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617132	1	34	-1.0	-45.45	282.66	-1.20	-46.65
O=C(COC1=NOC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617133	0	34	-1.0	-45.09	289.69	-1.64	-46.73
O=C(COC1=NOC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617133	1	34	-1.0	-45.09	289.62	-1.65	-46.74
O=C(CC1(CO)CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617134	0	41	-1.0	-40.45	316.04	-1.49	-41.94
O=C(CC1(CO)CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617134	1	41	-1.0	-40.41	316.10	-1.49	-41.90
CCC(CCOC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617135	0	43	-1.0	-42.20	327.49	-0.03	-42.23
CCC(CCOC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617135	1	43	-1.0	-42.21	327.56	-0.03	-42.24
O=C(C1=NC=CN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617136	0	31	-1.0	-42.74	258.20	-1.15	-43.89
O=C(C1=NC=CN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617136	1	31	-1.0	-42.71	258.13	-1.16	-43.87
C=C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004617137	0	37	-1.0	-40.51	296.14	0.97	-39.54
C=C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004617137	1	37	-1.0	-40.49	296.21	0.98	-39.51
CN1N=CC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617138	0	37	-1.0	-45.37	303.08	-0.16	-45.53
CN1N=CC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617138	1	37	-1.0	-45.38	303.14	-0.15	-45.53
O=C(C1CSC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617139	0	33	-1.0	-46.03	282.44	-3.03	-49.06
O=C(C1CSC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617139	1	33	-1.0	-46.04	282.50	-3.03	-49.07
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCO1	REAL250004617140	0	36	-1.0	-40.63	280.42	-0.33	-40.96
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCO1	REAL250004617140	1	36	-1.0	-40.67	280.48	-0.32	-40.99
CCN1C=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617141	0	38	-1.0	-41.71	301.36	1.62	-40.09
CCN1C=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617141	1	38	-1.0	-41.71	301.43	1.63	-40.08
O=C(C(F)=CC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617142	0	35	-1.0	-37.26	291.67	1.48	-35.78
O=C(C(F)=CC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617142	1	35	-1.0	-37.24	291.74	1.48	-35.76
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N(C)C=N1	REAL250004617143	0	37	-1.0	-43.63	305.65	1.14	-42.49
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N(C)C=N1	REAL250004617143	1	37	-1.0	-43.59	305.71	1.15	-42.44
COC1=NNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617144	0	35	-1.0	-39.87	290.42	-4.06	-43.93
COC1=NNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617144	1	35	-1.0	-39.87	290.48	-4.06	-43.93
CC1CC(=O)NC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617145	0	38	-1.0	-44.85	295.32	-2.61	-47.46
CC1CC(=O)NC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617145	1	38	-1.0	-44.78	295.39	-2.60	-47.38
O=C(C1CC1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617146	0	31	-1.0	-44.82	257.26	0.18	-44.64
O=C(C1CC1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617146	1	31	-1.0	-44.83	257.32	0.19	-44.64
O=C(CN1N=CN=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617147	0	32	-1.0	-47.53	273.22	-1.55	-49.08
O=C(CN1N=CN=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617147	1	32	-1.0	-47.52	273.15	-1.56	-49.08
CC(C)=CCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617148	0	40	-1.0	-40.23	316.20	2.10	-38.13
CC(C)=CCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617148	1	40	-1.0	-40.19	316.27	2.10	-38.09
CC(=O)OCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617149	0	39	-1.0	-44.61	321.31	1.08	-43.53
CC(=O)OCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617149	1	39	-1.0	-44.65	321.37	1.08	-43.57
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC(=O)C1	REAL250004617150	0	39	-1.0	-40.39	297.41	0.34	-40.05
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC(=O)C1	REAL250004617150	1	39	-1.0	-40.42	297.47	0.34	-40.08
CC(=O)CC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617151	0	41	-1.0	-39.93	307.83	0.59	-39.34
CC(=O)CC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617151	1	41	-1.0	-39.94	307.90	0.59	-39.35
CCCC(CC)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617152	0	45	-1.0	-40.06	334.85	2.65	-37.41
CCCC(CC)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617152	1	45	-1.0	-40.05	334.91	2.65	-37.40
O=C(C1C(F)(F)C12CC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617153	0	35	-1.0	-39.90	298.03	1.68	-38.22
O=C(C1C(F)(F)C12CC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617153	1	35	-1.0	-39.92	298.09	1.69	-38.23
O=C(C=CC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617154	0	35	-1.0	-40.87	287.30	1.51	-39.36
O=C(C=CC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617154	1	35	-1.0	-40.88	287.37	1.51	-39.37
O=C(C[C@H]1COC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617155	0	36	-1.0	-49.52	294.56	-3.34	-52.86
O=C(C[C@H]1COC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617155	1	36	-1.0	-49.58	294.62	-3.34	-52.92
CN1C=CN=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617156	0	34	-1.0	-42.66	276.82	0.61	-42.05
CN1C=CN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617156	1	34	-1.0	-42.67	276.76	0.60	-42.07
CC(C)NC(=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617157	0	37	-1.0	-38.92	299.41	-2.40	-41.32
CC(C)NC(=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617157	1	37	-1.0	-38.90	299.47	-2.39	-41.29
CN1N=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1F	REAL250004617158	0	34	-1.0	-40.65	287.45	-0.35	-41.00
CN1N=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1F	REAL250004617158	1	34	-1.0	-40.65	287.38	-0.35	-41.00
O=C(C(F)CC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617159	0	37	-1.0	-39.84	301.07	1.66	-38.18
O=C(C(F)CC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617159	1	37	-1.0	-39.87	301.14	1.66	-38.21
O=C(C1C=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617160	0	35	-1.0	-39.95	273.84	0.90	-39.05
O=C(C1C=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617160	1	35	-1.0	-39.92	273.91	0.89	-39.03
CCC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CC1	REAL250004617161	0	43	-1.0	-40.25	326.92	2.67	-37.58
CCC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004617161	1	43	-1.0	-40.24	326.98	2.68	-37.56
CC(=CC1CC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617162	0	38	-1.0	-40.12	308.03	1.99	-38.13
CC(=CC1CC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617162	1	38	-1.0	-40.12	308.10	1.99	-38.13
O=C(CCOC1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617163	0	38	-1.0	-40.02	308.70	0.15	-39.87
O=C(CCOC1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617163	1	38	-1.0	-40.01	308.76	0.16	-39.85
CC1(C)OC[C@@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004617164	0	39	-1.0	-41.04	308.65	-0.47	-41.51
CC1(C)OC[C@@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004617164	1	39	-1.0	-41.06	308.71	-0.46	-41.52
N#C[C@@]1(O)C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617165	0	36	-1.0	-43.12	300.46	-2.55	-45.67
N#C[C@@]1(O)C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617165	1	36	-1.0	-43.10	300.52	-2.54	-45.64
C=CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004617166	0	38	-1.0	-41.27	305.34	1.63	-39.64
C=CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004617166	1	38	-1.0	-41.28	305.40	1.64	-39.64
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(F)CCCOC1	REAL250004617167	0	38	-1.0	-37.88	295.37	-0.79	-38.67
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(F)CCCOC1	REAL250004617167	1	38	-1.0	-37.87	295.43	-0.79	-38.66
CCCC(O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617168	0	37	-1.0	-39.57	292.06	-1.43	-41.00
CCCC(O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617168	1	37	-1.0	-39.61	292.12	-1.43	-41.04
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC(F)C1	REAL250004617169	0	37	-1.0	-38.45	286.52	0.78	-37.67
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC(F)C1	REAL250004617169	1	37	-1.0	-38.43	286.59	0.78	-37.65
CC1CCC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617170	0	43	-1.0	-41.17	315.57	1.82	-39.35
CC1CCC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617170	1	43	-1.0	-41.12	315.63	1.82	-39.30
CCSC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617171	0	37	-1.0	-41.57	302.68	1.09	-40.48
CCSC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617171	1	37	-1.0	-41.56	302.75	1.10	-40.46
O=C(CC1COCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617172	0	39	-1.0	-44.89	307.82	-0.75	-45.64
O=C(CC1COCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617172	1	39	-1.0	-44.91	307.89	-0.74	-45.65
CCC1(C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617173	0	43	-1.0	-39.97	318.63	2.00	-37.97
CCC1(C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617173	1	43	-1.0	-39.94	318.70	2.00	-37.94
CC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)F	REAL250004617174	0	36	-1.0	-42.08	291.98	0.93	-41.15
CC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)F	REAL250004617174	1	36	-1.0	-42.08	292.04	0.94	-41.14
C[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617175	0	34	-1.0	-40.58	274.14	0.74	-39.84
C[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617175	1	34	-1.0	-40.58	274.20	0.75	-39.83
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=NS1	REAL250004617176	0	33	-1.0	-39.17	283.77	-0.32	-39.49
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=NS1	REAL250004617176	1	33	-1.0	-39.21	283.83	-0.31	-39.52
COC(=O)C(OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617177	0	37	-1.0	-44.29	303.87	-0.24	-44.53
COC(=O)C(OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617177	1	37	-1.0	-44.30	303.94	-0.23	-44.53
CCN1C=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004617178	0	36	-1.0	-48.36	297.20	1.46	-46.90
CCN1C=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004617178	1	36	-1.0	-48.31	297.14	1.45	-46.86
CC(C)CC(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617179	0	39	-1.0	-39.76	308.15	1.38	-38.38
CC(C)CC(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617179	1	39	-1.0	-39.77	308.21	1.38	-38.39
C=C(Cl)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617180	0	34	-1.0	-40.45	294.13	1.20	-39.25
C=C(Cl)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617180	1	34	-1.0	-40.44	294.20	1.20	-39.24
CC(CC1CCC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617181	0	43	-1.0	-39.39	324.55	2.42	-36.97
CC(CC1CCC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617181	1	43	-1.0	-39.39	324.62	2.42	-36.97
O=C(CCCC1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617182	0	43	-1.0	-40.68	334.03	2.97	-37.71
O=C(CCCC1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617182	1	43	-1.0	-40.67	334.09	2.97	-37.70
C=CN1N=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617183	0	35	-1.0	-42.28	288.04	0.08	-42.20
C=CN1N=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617183	1	35	-1.0	-42.30	288.10	0.08	-42.22
CC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NN1C	REAL250004617184	0	36	-1.0	-48.57	295.32	0.08	-48.49
CC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NN1C	REAL250004617184	1	36	-1.0	-48.55	295.38	0.08	-48.47
CCC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004617185	0	38	-1.0	-41.74	305.57	0.93	-40.81
CCC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004617185	1	38	-1.0	-41.75	305.63	0.93	-40.82
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CC1	REAL250004617186	0	32	-1.0	-38.66	262.55	-3.12	-41.78
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CC1	REAL250004617186	1	32	-1.0	-38.65	262.61	-3.12	-41.77
CN1NC(=O)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617187	0	35	-1.0	-41.68	290.69	-2.86	-44.54
CN1NC(=O)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617187	1	35	-1.0	-41.70	290.75	-2.85	-44.55
CCC1(C)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617188	0	41	-1.0	-39.99	317.28	2.18	-37.81
CCC1(C)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617188	1	41	-1.0	-39.99	317.34	2.18	-37.81
O=C(C[C@@H]1CCC[C@H]1O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617189	0	41	-1.0	-42.34	317.43	-1.43	-43.77
O=C(C[C@@H]1CCC[C@H]1O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617189	1	41	-1.0	-42.34	317.49	-1.42	-43.76
O=C(C[C@@H]1COC[C@H]1O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617190	0	39	-1.0	-45.80	307.88	-3.93	-49.73
O=C(C[C@@H]1COC[C@H]1O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617190	1	39	-1.0	-45.82	307.95	-3.93	-49.75
O=C(CC1CCC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617191	0	39	-1.0	-44.40	308.85	1.08	-43.32
O=C(CC1CCC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617191	1	39	-1.0	-44.40	308.92	1.08	-43.32
CC1(C)CC(O)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617192	0	41	-1.0	-38.05	315.63	-1.13	-39.18
CC1(C)CC(O)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617192	1	41	-1.0	-38.06	315.70	-1.12	-39.18
CCC(F)(F)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617193	0	36	-1.0	-46.00	294.61	1.01	-44.99
CCC(F)(F)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617193	1	36	-1.0	-46.01	294.67	1.02	-44.99
O=C(C1CCC2(C1)N=N2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617194	0	37	-1.0	-42.92	298.25	-4.14	-47.06
O=C(C1CCC2(C1)N=N2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617194	1	37	-1.0	-42.91	298.31	-4.13	-47.04
C=CCC(C)(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617195	0	43	-1.0	-39.59	325.15	2.33	-37.26
C=CCC(C)(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617195	1	43	-1.0	-39.61	325.22	2.33	-37.28
CCC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)OC	REAL250004617196	0	40	-1.0	-41.07	311.50	0.57	-40.50
CCC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)OC	REAL250004617196	1	40	-1.0	-41.07	311.57	0.58	-40.49
CC1(C)C(=O)CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617197	0	39	-1.0	-39.83	306.17	0.49	-39.34
CC1(C)C(=O)CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617197	1	39	-1.0	-39.84	306.23	0.50	-39.34
CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617198	0	40	-1.0	-39.63	314.41	2.07	-37.56
CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617198	1	40	-1.0	-39.62	314.47	2.07	-37.55
O=C(C1=CNC(Cl)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617199	0	31	-1.0	-42.35	275.23	-0.56	-42.91
O=C(C1=CNC(Cl)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617199	1	31	-1.0	-42.33	275.30	-0.56	-42.89
CC12CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)(C1)CO2	REAL250004617200	0	39	-1.0	-39.76	302.39	-0.56	-40.32
CC12CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)(C1)CO2	REAL250004617200	1	39	-1.0	-39.75	302.45	-0.55	-40.30
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CC(C1)CO2	REAL250004617201	0	36	-1.0	-39.36	284.41	-0.44	-39.80
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC(C1)CO2	REAL250004617201	1	36	-1.0	-39.37	284.48	-0.44	-39.81
O=C([C@@H]1CC=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617202	0	38	-1.0	-39.44	294.91	1.60	-37.84
O=C([C@@H]1CC=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617202	1	38	-1.0	-39.43	294.97	1.60	-37.83
O=C(CC1CC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617203	0	36	-1.0	-45.33	293.28	0.49	-44.84
O=C(CC1CC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617203	1	36	-1.0	-45.33	293.34	0.50	-44.83
CN(C)C(=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617204	0	34	-1.0	-43.95	281.58	-2.14	-46.09
CN(C)C(=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617204	1	34	-1.0	-43.99	281.64	-2.14	-46.13
COC(=O)C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617205	0	36	-1.0	-42.55	296.15	-0.11	-42.66
COC(=O)C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617205	1	36	-1.0	-42.54	296.21	-0.10	-42.64
CC(C)C1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617206	0	43	-1.0	-40.50	330.40	2.51	-37.99
CC(C)C1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617206	1	43	-1.0	-40.47	330.46	2.52	-37.95
CC1=CC=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL250004617207	0	35	-1.0	-46.24	291.44	-0.16	-46.40
CC1=CC=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL250004617207	1	35	-1.0	-46.24	291.50	-0.16	-46.40
CC(C)(CC#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617208	0	37	-1.0	-39.86	289.69	0.20	-39.66
CC(C)(CC#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617208	1	37	-1.0	-39.89	289.76	0.20	-39.69
O=C(C=CC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617209	0	38	-1.0	-41.80	311.67	2.83	-38.97
O=C(C=CC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617209	1	38	-1.0	-41.78	311.74	2.83	-38.95
CC1(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004617210	0	36	-1.0	-39.07	296.52	-4.03	-43.10
CC1(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004617210	1	36	-1.0	-39.11	296.59	-4.03	-43.14
O=C(C1=CN=CC(F)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617211	0	32	-1.0	-38.87	274.22	-1.56	-40.43
O=C(C1=CN=CC(F)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617211	1	32	-1.0	-38.85	274.16	-1.56	-40.41
CC12CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)(C1)OC2	REAL250004617212	0	39	-1.0	-38.52	306.24	0.08	-38.44
CC12CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)(C1)OC2	REAL250004617212	1	39	-1.0	-38.55	306.30	0.08	-38.47
CC1=CC=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617213	0	36	-1.0	-43.02	293.99	1.06	-41.96
CC1=CC=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617213	1	36	-1.0	-43.02	294.05	1.06	-41.96
CC1(F)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617214	0	37	-1.0	-38.57	295.98	1.24	-37.33
CC1(F)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617214	1	37	-1.0	-38.63	296.04	1.24	-37.39
CCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617215	0	34	-1.0	-42.28	287.33	0.71	-41.57
CCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617215	1	34	-1.0	-42.26	287.39	0.71	-41.55
CC1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL250004617216	0	38	-1.0	-44.07	296.18	0.49	-43.58
CC1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL250004617216	1	38	-1.0	-44.05	296.25	0.50	-43.55
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC(CO1)C2	REAL250004617217	0	39	-1.0	-39.97	298.47	0.04	-39.93
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC(CO1)C2	REAL250004617217	1	39	-1.0	-39.91	298.53	0.04	-39.87
O=C(C1CC2(CC2F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617218	0	38	-1.0	-42.19	307.71	2.03	-40.16
O=C(C1CC2(CC2F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617218	1	38	-1.0	-42.17	307.77	2.03	-40.14
CC1(C)CC1(C#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617219	0	38	-1.0	-38.42	309.19	1.24	-37.18
CC1(C)CC1(C#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617219	1	38	-1.0	-38.48	309.25	1.25	-37.23
O=C(C[C@@H]1CC=CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617220	0	41	-1.0	-40.75	314.92	2.51	-38.24
O=C(C[C@@H]1CC=CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617220	1	41	-1.0	-40.80	314.98	2.52	-38.28
CCC1=CNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617221	0	38	-1.0	-42.86	305.53	1.08	-41.78
CCC1=CNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617221	1	38	-1.0	-42.86	305.60	1.09	-41.77
O=C(C=CC1CCCO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617222	0	39	-1.0	-40.92	310.13	0.40	-40.52
O=C(C=CC1CCCO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617222	1	39	-1.0	-40.94	310.19	0.41	-40.53
CC1=CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004617223	0	41	-1.0	-39.97	316.75	2.29	-37.68
CC1=CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004617223	1	41	-1.0	-40.02	316.81	2.29	-37.73
CC[C@H](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL250004617224	0	45	-1.0	-39.67	326.53	2.27	-37.40
CC[C@H](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL250004617224	1	45	-1.0	-39.65	326.60	2.27	-37.38
O=C(CC12CC(C1)C2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617225	0	38	-1.0	-41.21	296.58	2.04	-39.17
O=C(CC12CC(C1)C2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617225	1	38	-1.0	-41.20	296.65	2.05	-39.15
CCC=CC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617226	0	38	-1.0	-41.10	311.57	2.11	-38.99
CCC=CC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617226	1	38	-1.0	-41.08	311.63	2.11	-38.97
O=C(CC1CC=CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617227	0	38	-1.0	-41.13	298.88	1.87	-39.26
O=C(CC1CC=CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617227	1	38	-1.0	-41.15	298.94	1.87	-39.28
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN1	REAL250004617228	0	35	-1.0	-42.73	284.27	-0.21	-42.94
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN1	REAL250004617228	1	35	-1.0	-42.72	284.33	-0.21	-42.93
O=C(CCCCCF)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617229	0	39	-1.0	-42.58	313.89	1.81	-40.77
O=C(CCCCCF)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617229	1	39	-1.0	-42.57	313.95	1.81	-40.76
O=C(C1CC(=O)CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617230	0	34	-1.0	-43.50	278.32	-1.21	-44.71
O=C(C1CC(=O)CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617230	1	34	-1.0	-43.51	278.39	-1.21	-44.72
CC1=NN=NN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617231	0	35	-1.0	-52.25	292.80	-1.34	-53.59
CC1=NN=NN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617231	1	35	-1.0	-52.23	292.86	-1.34	-53.57
CN1N=NC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617232	0	36	-1.0	-47.84	297.20	-1.36	-49.20
CN1N=NC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617232	1	36	-1.0	-47.88	297.27	-1.36	-49.24
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1[C@H](F)C2	REAL250004617233	0	35	-1.0	-42.76	286.02	1.24	-41.52
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1[C@H](F)C2	REAL250004617233	1	35	-1.0	-42.78	286.08	1.24	-41.54
O=C(C1=NC=C(F)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617234	0	32	-1.0	-41.26	276.50	-0.75	-42.01
O=C(C1=NC=C(F)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617234	1	32	-1.0	-41.23	276.43	-0.76	-41.99
CC1=NN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL250004617235	0	35	-1.0	-47.49	295.15	-1.70	-49.19
CC1=NN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL250004617235	1	35	-1.0	-47.49	295.21	-1.70	-49.19
C#CC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617236	0	36	-1.0	-41.56	305.35	2.48	-39.08
C#CC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617236	1	36	-1.0	-41.56	305.41	2.48	-39.08
O=C(CC1CC2CC2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617237	0	41	-1.0	-40.85	316.56	2.73	-38.12
O=C(CC1CC2CC2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617237	1	41	-1.0	-40.85	316.62	2.74	-38.11
O=C(C1=CCCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617238	0	36	-1.0	-40.82	289.83	-0.72	-41.54
O=C(C1=CCCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617238	1	36	-1.0	-40.81	289.89	-0.72	-41.53
CCC1=NON=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617239	0	35	-1.0	-36.27	290.37	-0.09	-36.36
CCC1=NON=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617239	1	35	-1.0	-36.30	290.43	-0.08	-36.38
O=C(C1=NOC(CF)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617240	0	33	-1.0	-41.41	282.55	0.15	-41.26
O=C(C1=NOC(CF)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617240	1	33	-1.0	-41.43	282.62	0.16	-41.27
C=CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC1	REAL250004617241	0	38	-1.0	-40.50	290.12	1.63	-38.87
C=CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004617241	1	38	-1.0	-40.48	290.18	1.64	-38.84
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC(C1)OC2	REAL250004617242	0	39	-1.0	-40.11	292.56	-0.68	-40.79
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC(C1)OC2	REAL250004617242	1	39	-1.0	-40.13	292.62	-0.68	-40.81
CCC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL250004617243	0	36	-1.0	-38.69	297.48	0.25	-38.44
CCC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL250004617243	1	36	-1.0	-38.66	297.55	0.25	-38.41
C[C@@H]1C[C@]2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[C@H]12	REAL250004617244	0	38	-1.0	-40.54	298.71	1.75	-38.79
C[C@@H]1C[C@]2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[C@H]12	REAL250004617244	1	38	-1.0	-40.54	298.77	1.76	-38.78
O=C(C1COC(=O)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617245	0	32	-1.0	-49.45	268.40	-0.36	-49.81
O=C(C1COC(=O)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617245	1	32	-1.0	-49.47	268.47	-0.36	-49.83
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCOC1	REAL250004617246	0	41	-1.0	-39.69	314.49	-0.31	-40.00
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCOC1	REAL250004617246	1	41	-1.0	-39.67	314.55	-0.30	-39.97
CO[C@H](C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617247	0	34	-1.0	-42.97	272.01	-0.79	-43.76
CO[C@H](C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617247	1	34	-1.0	-42.99	272.07	-0.78	-43.77
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617248	0	38	-1.0	-40.81	290.92	1.68	-39.13
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617248	1	38	-1.0	-40.85	290.99	1.68	-39.17
CC1CCOC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617249	0	41	-1.0	-44.49	319.16	0.91	-43.58
CC1CCOC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617249	1	41	-1.0	-44.49	319.22	0.92	-43.57
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL250004617250	0	35	-1.0	-42.20	284.09	0.19	-42.01
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL250004617250	1	35	-1.0	-42.20	284.15	0.19	-42.01
CCCOCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617251	0	43	-1.0	-42.81	341.35	0.94	-41.87
CCCOCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617251	1	43	-1.0	-42.79	341.42	0.94	-41.85
CO[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004617252	0	39	-1.0	-44.35	312.37	0.13	-44.22
CO[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004617252	1	39	-1.0	-44.37	312.43	0.13	-44.24
CC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCO1	REAL250004617253	0	41	-1.0	-40.19	310.14	1.02	-39.17
CC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCO1	REAL250004617253	1	41	-1.0	-40.21	310.20	1.03	-39.18
O=C(CC1CC2(CC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617254	0	41	-1.0	-41.02	323.05	2.79	-38.23
O=C(CC1CC2(CC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617254	1	41	-1.0	-41.04	323.11	2.79	-38.25
CCC(C)CC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617255	0	45	-1.0	-40.10	338.19	2.45	-37.65
CCC(C)CC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617255	1	45	-1.0	-40.12	338.25	2.45	-37.67
O=C([C@H]1CC1(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617256	0	31	-1.0	-40.10	265.53	0.19	-39.91
O=C([C@H]1CC1(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617256	1	31	-1.0	-40.12	265.60	0.20	-39.92
C[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004617257	0	38	-1.0	-40.83	300.36	1.79	-39.04
C[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004617257	1	38	-1.0	-40.88	300.43	1.79	-39.09
O=C([C@@H]1CCC(=O)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617258	0	34	-1.0	-50.99	277.94	0.49	-50.50
O=C([C@@H]1CCC(=O)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617258	1	34	-1.0	-50.98	278.01	0.50	-50.48
O=C(C(F)C1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617259	0	37	-1.0	-39.84	291.86	1.34	-38.50
O=C(C(F)C1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617259	1	37	-1.0	-39.85	291.92	1.35	-38.50
O=C(C(F)C1CCOC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617260	0	38	-1.0	-43.53	299.35	-0.58	-44.11
O=C(C(F)C1CCOC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617260	1	38	-1.0	-43.55	299.41	-0.58	-44.13
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CC(C1)OC2	REAL250004617261	0	36	-1.0	-39.33	281.37	-1.13	-40.46
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC(C1)OC2	REAL250004617261	1	36	-1.0	-39.33	281.43	-1.12	-40.45
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617262	0	36	-1.0	-38.53	298.64	-2.80	-41.33
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617262	1	36	-1.0	-38.52	298.70	-2.80	-41.32
C[C@H]1C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@H]1C	REAL250004617263	0	37	-1.0	-39.65	282.93	1.22	-38.43
C[C@H]1C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@H]1C	REAL250004617263	1	37	-1.0	-39.64	282.99	1.22	-38.42
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617264	0	38	-1.0	-42.93	288.82	-1.01	-43.94
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617264	1	38	-1.0	-42.94	288.88	-1.00	-43.94
O=C([C@@H]1CC1(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617265	0	31	-1.0	-42.60	265.77	0.21	-42.39
O=C([C@@H]1CC1(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617265	1	31	-1.0	-42.60	265.83	0.21	-42.39
O=C([C@@H]1C[C@@H]1C(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617266	0	34	-1.0	-45.37	275.91	0.99	-44.38
O=C([C@@H]1C[C@@H]1C(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617266	1	34	-1.0	-45.44	275.97	0.99	-44.45
N#CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC(=O)C1	REAL250004617267	0	34	-1.0	-39.09	287.51	-0.58	-39.67
N#CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC(=O)C1	REAL250004617267	1	34	-1.0	-39.10	287.58	-0.58	-39.68
CC(C)(C#N)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617268	0	40	-1.0	-46.44	318.81	1.43	-45.01
CC(C)(C#N)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617268	1	40	-1.0	-46.45	318.88	1.43	-45.02
[N-]=[N+]=NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617269	0	29	-1.0	-42.23	251.92	-4.75	-46.98
[N-]=[N+]=NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617269	1	29	-1.0	-42.24	251.98	-4.75	-46.99
[N-]=[N+]=NCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617270	0	32	-1.0	-39.08	272.94	-4.05	-43.13
[N-]=[N+]=NCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617270	1	32	-1.0	-39.11	273.00	-4.04	-43.15
[N-]=[N+]=NCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617271	0	35	-1.0	-43.26	294.44	-3.24	-46.50
[N-]=[N+]=NCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617271	1	35	-1.0	-43.27	294.50	-3.24	-46.51
CNC(=O)NC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617272	0	39	-1.0	-42.96	314.31	-3.73	-46.69
CNC(=O)NC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617272	1	39	-1.0	-42.94	314.37	-3.72	-46.66
CNC(=O)N[C@@H](C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617273	0	39	-1.0	-42.98	314.24	-3.73	-46.71
CNC(=O)N[C@@H](C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617273	1	39	-1.0	-42.96	314.31	-3.73	-46.69
CNC(=O)N[C@H](C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617274	0	39	-1.0	-42.79	314.84	-3.74	-46.53
CNC(=O)N[C@H](C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617274	1	39	-1.0	-42.78	314.90	-3.73	-46.51
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CCCC1	REAL250004617275	0	41	-1.0	-38.83	303.25	1.73	-37.10
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CCCC1	REAL250004617275	1	41	-1.0	-38.81	303.32	1.74	-37.07
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CCC2)CC1	REAL250004617276	0	41	-1.0	-41.28	306.93	2.06	-39.22
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CCC2)CC1	REAL250004617276	1	41	-1.0	-41.28	306.99	2.06	-39.22
CC(C)(F)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617277	0	39	-1.0	-41.03	308.33	1.44	-39.59
CC(C)(F)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617277	1	39	-1.0	-41.05	308.40	1.44	-39.61
O=C(CN1C=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617278	0	33	-1.0	-50.86	277.86	1.14	-49.72
O=C(CN1C=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617278	1	33	-1.0	-50.84	277.80	1.14	-49.70
COCC(C)(O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617279	0	41	-1.0	-45.44	322.09	-2.20	-47.64
COCC(C)(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617279	1	41	-1.0	-45.42	322.16	-2.20	-47.62
CCC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617281	0	38	-1.0	-45.55	305.87	0.73	-44.82
CCC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617281	1	38	-1.0	-45.56	305.93	0.74	-44.82
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)SN=C1	REAL250004617282	0	33	-1.0	-39.10	282.54	-0.37	-39.47
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SN=C1	REAL250004617282	1	33	-1.0	-39.06	282.47	-0.37	-39.43
CC(C)(CCC#N)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617283	0	40	-1.0	-47.46	307.96	1.00	-46.46
CC(C)(CCC#N)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617283	1	40	-1.0	-47.50	308.03	1.01	-46.49
C#CCOCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617284	0	33	-1.0	-46.13	283.16	0.22	-45.91
C#CCOCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617284	1	33	-1.0	-46.04	283.23	0.22	-45.82
C#C[C@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617285	0	33	-1.0	-43.51	275.65	1.23	-42.28
C#C[C@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617285	1	33	-1.0	-43.54	275.72	1.23	-42.31
O=C([C@H]1CC(=O)N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617286	0	32	-1.0	-46.70	266.52	-4.42	-51.12
O=C([C@H]1CC(=O)N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617286	1	32	-1.0	-46.72	266.58	-4.41	-51.13
O=C(C1=COC(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617287	0	31	-1.0	-39.34	275.54	-0.06	-39.40
O=C(C1=COC(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617287	1	31	-1.0	-39.37	275.61	-0.05	-39.42
O=C(C1C2C3CC1CC32)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617288	0	39	-1.0	-40.92	297.17	2.05	-38.87
O=C(C1C2C3CC1CC32)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617288	1	39	-1.0	-40.90	297.23	2.06	-38.84
O=C(C=CC1CCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617289	0	38	-1.0	-40.29	303.68	2.02	-38.27
O=C(C=CC1CCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617289	1	38	-1.0	-40.32	303.74	2.02	-38.30
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CN1C	REAL250004617290	0	38	-1.0	-46.52	305.72	1.40	-45.12
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CN1C	REAL250004617290	1	38	-1.0	-46.56	305.78	1.40	-45.16
O=C(CC1=CN=NS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617291	0	32	-1.0	-45.08	281.59	-1.02	-46.10
O=C(CC1=CN=NS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617291	1	32	-1.0	-45.12	281.66	-1.02	-46.14
C#CCCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004617292	0	34	-1.0	-47.88	299.69	0.02	-47.86
C#CCCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004617292	1	34	-1.0	-47.93	299.74	0.04	-47.89
C#CCCC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617293	0	34	-1.0	-37.59	310.28	-0.18	-37.77
C#CCCC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617293	1	34	-1.0	-37.56	310.34	-0.17	-37.73
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N#CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617297	1	39	-1.0	-50.24	321.39	4.19	-46.05
CC1CCNC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617298	0	36	-1.0	-58.24	293.18	0.18	-58.06
CC1CCNC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617298	1	36	-1.0	-58.26	293.24	0.19	-58.07
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CCC(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004617300	0	39	-1.0	-49.53	324.47	3.19	-46.34
CCC(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004617300	1	39	-1.0	-49.60	324.52	3.20	-46.40
N#CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004617301	0	36	-1.0	-51.55	321.45	4.63	-46.92
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CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004617302	0	42	-1.0	-46.82	327.85	2.88	-43.94
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004617302	1	42	-1.0	-46.83	327.90	2.89	-43.94
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CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NCCF	REAL250004617305	0	35	-1.0	-48.79	304.29	-0.06	-48.85
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NCCF	REAL250004617305	1	35	-1.0	-48.83	304.35	-0.04	-48.87
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CC1=NN(C)C(NCCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004617307	0	40	-1.0	-50.98	338.83	1.74	-49.24
CC1=NN(C)C(NCCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004617307	1	40	-1.0	-50.97	338.89	1.75	-49.22
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004617308	0	37	-1.0	-48.21	318.52	-0.04	-48.25
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004617308	1	37	-1.0	-48.21	318.57	-0.02	-48.23
O=C(CCCC1=N[N-]N=N1)NCCC1=C2C=CNC2=CC=C1	REAL250004617309	0	39	-1.0	-51.33	331.69	4.27	-47.06
O=C(CCCC1=NN=N[N-]1)NCCC1=C2C=CNC2=CC=C1	REAL250004617309	1	39	-1.0	-51.32	331.75	4.29	-47.03
COCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617310	0	35	-1.0	-51.66	296.47	3.38	-48.28
COCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617310	1	35	-1.0	-51.47	296.54	3.40	-48.07
COCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617311	0	32	-1.0	-35.93	282.31	0.28	-35.65
COCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617311	1	32	-1.0	-35.93	282.38	0.29	-35.64
COC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617312	0	40	-1.0	-49.17	329.31	1.82	-47.35
COC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617312	1	40	-1.0	-49.17	329.37	1.83	-47.34
COCCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004617313	0	36	-1.0	-46.35	304.31	-1.95	-48.30
COCCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004617313	1	36	-1.0	-46.35	304.37	-1.94	-48.29
COCCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617314	0	36	-1.0	-37.17	314.90	-2.16	-39.33
COCCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617314	1	36	-1.0	-37.13	314.97	-2.14	-39.27
CC(C)(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004617315	0	44	-1.0	-47.20	325.71	5.58	-41.62
CC(C)(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004617315	1	44	-1.0	-47.19	325.76	5.59	-41.60
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CC(C1CCCCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617318	0	44	-1.0	-47.88	331.42	6.69	-41.19
CC(C1CCCCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617318	1	44	-1.0	-47.84	331.48	6.71	-41.13
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O=C(CCCC1=NN=N[N-]1)N1CC2CC3CC2C1C3O	REAL250004617319	1	38	-1.0	-52.15	299.01	1.95	-50.20
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O=C(CCCC1=NN=N[N-]1)NC1CC(C2=CC=CC=C2)C1	REAL250004617320	1	39	-1.0	-47.47	322.93	5.44	-42.03
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O=C(CCCC1=N[N-]N=N1)N(CC1CC1)C1CCC1	REAL250004617322	0	39	-1.0	-46.67	305.83	5.80	-40.87
O=C(CCCC1=NN=N[N-]1)N(CC1CC1)C1CCC1	REAL250004617322	1	39	-1.0	-46.71	305.89	5.82	-40.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1CC1)C1CCC1	REAL250004617323	0	39	-1.0	-35.38	307.93	6.72	-28.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1CC1)C1CCC1	REAL250004617323	1	39	-1.0	-35.40	307.99	6.72	-28.68
CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004617324	0	40	-1.0	-46.38	317.40	3.69	-42.69
CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004617324	1	40	-1.0	-46.39	317.46	3.71	-42.68
CC(C)(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617325	0	40	-1.0	-34.76	328.00	3.49	-31.27
CC(C)(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617325	1	40	-1.0	-34.71	328.06	3.50	-31.21
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCNC1=O	REAL250004617326	0	36	-1.0	-54.28	293.69	0.91	-53.37
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCNC1=O	REAL250004617326	1	36	-1.0	-54.25	293.75	0.93	-53.32
CN1C(=O)CC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004617327	0	32	-1.0	-54.77	282.91	-0.03	-54.80
CN1C(=O)CC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004617327	1	32	-1.0	-54.80	282.96	-0.01	-54.81
CN1CCN(C(=O)NNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617328	0	40	-1.0	-46.89	325.78	-0.48	-47.37
CN1CCN(C(=O)NNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617328	1	40	-1.0	-46.92	325.84	-0.47	-47.39
CC(C)(C)CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004617329	0	44	-1.0	-45.98	347.37	1.46	-44.52
CC(C)(C)CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004617329	1	44	-1.0	-45.97	347.42	1.47	-44.50
CN1C(=O)CN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004617330	0	32	-1.0	-50.53	274.48	1.01	-49.52
CN1C(=O)CN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004617330	1	32	-1.0	-50.56	274.53	1.03	-49.53
CCC1(O)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617331	0	36	-1.0	-59.91	297.38	2.74	-57.17
CCC1(O)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617331	1	36	-1.0	-60.01	298.07	2.69	-57.32
CCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617332	0	33	-1.0	-39.48	285.31	0.16	-39.32
CCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617332	1	33	-1.0	-39.48	285.38	0.17	-39.31
CCC(CC)(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004617333	0	40	-1.0	-44.93	319.58	3.83	-41.10
CCC(CC)(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004617333	1	40	-1.0	-44.98	319.64	3.84	-41.14
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(F)=CC=C21	REAL250004617334	0	33	-1.0	-45.33	279.96	5.38	-39.95
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(F)=CC=C21	REAL250004617334	1	33	-1.0	-45.35	280.01	5.39	-39.96
CC1(C)C(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004617335	0	41	-1.0	-45.77	321.73	4.30	-41.47
CC1(C)C(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004617335	1	41	-1.0	-45.79	321.79	4.31	-41.48
CC(C)(C)N1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617336	0	40	-1.0	-46.66	326.02	3.80	-42.86
CC(C)(C)N1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617336	1	40	-1.0	-46.67	326.07	3.82	-42.85
CN(CCOCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004617337	0	36	-1.0	-48.00	301.87	-0.39	-48.39
CN(CCOCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004617337	1	36	-1.0	-48.00	301.93	-0.37	-48.37
CN(CCOCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617338	0	36	-1.0	-37.71	309.81	0.00	-37.71
CN(CCOCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617338	1	36	-1.0	-37.68	309.87	0.01	-37.67
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL250004617339	0	32	-1.0	-46.15	287.23	3.27	-42.88
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL250004617339	1	32	-1.0	-46.20	287.29	3.28	-42.92
O=C(NC1CCC2CC21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617340	0	36	-1.0	-53.33	298.56	6.16	-47.17
O=C(NC1CCC2CC21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617340	1	36	-1.0	-53.12	298.64	6.17	-46.95
O=C(NC1CCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617341	0	33	-1.0	-35.08	280.32	3.21	-31.87
O=C(NC1CCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617341	1	33	-1.0	-35.06	280.39	3.21	-31.85
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617342	0	39	-1.0	-48.40	318.10	2.20	-46.20
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617342	1	39	-1.0	-48.39	318.16	2.22	-46.17
COC[C@H](O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617343	0	36	-1.0	-52.17	309.59	0.14	-52.03
COC[C@H](O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617343	1	36	-1.0	-51.97	309.69	0.14	-51.83
COC[C@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617344	0	33	-1.0	-38.02	295.86	-3.01	-41.03
COC[C@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617344	1	33	-1.0	-38.04	295.92	-2.99	-41.03
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004617345	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004617345	1	38	-1.0	-50.65	322.36	3.62	-47.03
O=C(NCC#CCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617346	0	31	-1.0	-53.72	282.91	1.46	-52.26
O=C(NCC#CCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617346	1	31	-1.0	-53.12	282.98	1.48	-51.64
O=C(NCC#CCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617347	0	28	-1.0	-38.47	268.75	-1.63	-40.10
O=C(NCC#CCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617347	1	28	-1.0	-38.43	268.82	-1.62	-40.05
NC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617348	0	37	-1.0	-56.02	299.91	-2.67	-58.69
NC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617348	1	37	-1.0	-56.06	299.97	-2.66	-58.72
N#CSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004617349	0	30	-1.0	-50.21	285.10	2.12	-48.09
N#CSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004617349	1	30	-1.0	-50.25	285.16	2.14	-48.11
N#CSCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617350	0	30	-1.0	-38.49	295.70	1.92	-36.57
N#CSCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617350	1	30	-1.0	-38.45	295.76	1.93	-36.52
CN1C=C2C(=N1)CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004617351	0	39	-1.0	-49.25	319.25	2.89	-46.36
CN1C=C2C(=N1)CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004617351	1	39	-1.0	-49.23	319.30	2.91	-46.32
CC(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004617352	0	36	-1.0	-49.74	306.07	2.55	-47.19
CC(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004617352	1	36	-1.0	-49.73	306.13	2.56	-47.17
CCC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617353	0	35	-1.0	-48.01	297.44	2.46	-45.55
CCC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617353	1	35	-1.0	-48.06	297.50	2.47	-45.59
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617354	0	35	-1.0	-36.95	308.01	2.25	-34.70
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617354	1	35	-1.0	-36.89	308.07	2.26	-34.63
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CCOC1	REAL250004617356	0	40	-1.0	-48.84	319.48	-0.89	-49.73
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CCOC1	REAL250004617356	1	40	-1.0	-48.83	319.53	-0.87	-49.70
C=CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004617357	0	39	-1.0	-51.40	341.28	2.20	-49.20
C=CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004617357	1	39	-1.0	-51.44	341.34	2.22	-49.22
CCC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004617358	0	37	-1.0	-47.84	317.03	3.05	-44.79
CCC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004617358	1	37	-1.0	-47.83	317.08	3.07	-44.76
CC1=CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617359	0	36	-1.0	-53.22	291.08	6.65	-46.57
CC1=CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617359	1	36	-1.0	-53.40	291.26	6.72	-46.68
CC1=CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617360	0	33	-1.0	-34.92	277.54	4.44	-30.48
CC1=CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617360	1	33	-1.0	-34.88	277.61	4.48	-30.40
CN(CC1=NNC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004617361	0	31	-1.0	-52.97	271.79	2.71	-50.26
CN(CC1=NNC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004617361	1	31	-1.0	-52.94	271.84	2.72	-50.22
CN(CC1=NN=CN1)C(=O)CCCC1=N[N-]N=N1	REAL250004617361	1	31	-1.0	-61.37	271.20	3.10	-58.27
CN(CC1=NNC=N1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617362	0	34	-1.0	-47.74	294.06	5.23	-42.51
CN(CC1=NNC=N1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617362	1	34	-1.0	-47.52	294.15	5.26	-42.26
CN(CC1=NNC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617363	0	31	-1.0	-41.83	279.48	3.11	-38.72
CN(CC1=NNC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617363	1	31	-1.0	-41.81	279.55	3.11	-38.70
CN(CC1=NN=CN1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617363	1	31	-1.0	-47.15	278.88	3.49	-43.66
COCCC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004617364	0	40	-1.0	-48.25	320.93	0.39	-47.86
COCCC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004617364	1	40	-1.0	-48.26	320.99	0.41	-47.85
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004617365	0	39	-1.0	-47.00	320.43	1.95	-45.05
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004617365	1	39	-1.0	-47.01	320.49	1.97	-45.04
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC=C21	REAL250004617366	0	33	-1.0	-48.95	284.66	4.11	-44.84
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC=C21	REAL250004617366	1	33	-1.0	-48.98	284.72	4.12	-44.86
O=C(NC1CC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617367	0	33	-1.0	-37.15	295.49	3.96	-33.19
O=C(NC1CC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617367	1	33	-1.0	-37.11	295.56	3.96	-33.15
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CC2)C1	REAL250004617368	0	37	-1.0	-48.46	302.00	1.80	-46.66
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CC2)C1	REAL250004617368	1	37	-1.0	-48.46	302.06	1.82	-46.64
CC1=CC=C([C@@H](O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004617369	0	39	-1.0	-47.74	329.46	1.85	-45.89
CC1=CC=C([C@@H](O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004617369	1	39	-1.0	-47.74	329.52	1.86	-45.88
CC1=CC=C([C@H](O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004617370	0	39	-1.0	-47.83	329.94	1.75	-46.08
CC1=CC=C([C@H](O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004617370	1	39	-1.0	-47.82	330.00	1.77	-46.05
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCOC1	REAL250004617371	0	37	-1.0	-49.31	298.68	-2.02	-51.33
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCOC1	REAL250004617371	1	37	-1.0	-49.31	298.74	-1.99	-51.30
O=C(NCC1=CC=CN=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617372	0	33	-1.0	-55.31	293.27	3.50	-51.81
O=C(NCC1=CC=CN=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617372	1	33	-1.0	-55.11	293.37	3.50	-51.61
O=C(NCC1=CC=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617373	0	30	-1.0	-41.00	279.54	0.35	-40.65
O=C(NCC1=CC=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617373	1	30	-1.0	-40.98	279.61	0.36	-40.62
C=CCN1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004617374	0	40	-1.0	-55.72	329.35	3.99	-51.73
C=CCN1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004617374	1	40	-1.0	-55.72	329.40	4.00	-51.72
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL250004617375	0	38	-1.0	-54.37	306.56	0.89	-53.48
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL250004617375	1	38	-1.0	-54.39	306.62	0.90	-53.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004617376	0	36	-1.0	-48.29	294.64	1.39	-46.90
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004617376	1	36	-1.0	-48.34	294.70	1.40	-46.94
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004617377	0	36	-1.0	-36.10	298.01	0.99	-35.11
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004617377	1	36	-1.0	-36.09	298.08	1.01	-35.08
CC[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617378	0	35	-1.0	-52.77	296.40	5.69	-47.08
CC[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617378	1	35	-1.0	-52.57	296.90	5.68	-46.89
CC[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617379	0	32	-1.0	-34.94	282.66	2.58	-32.36
CC[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617379	1	32	-1.0	-34.95	282.73	2.58	-32.37
CCCC1(COC)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617380	0	45	-1.0	-48.34	347.60	5.36	-42.98
CCCC1(COC)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617380	1	45	-1.0	-48.31	347.66	5.37	-42.94
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617381	0	36	-1.0	-45.33	304.75	3.58	-41.75
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617381	1	36	-1.0	-45.31	304.80	3.59	-41.72
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004617382	0	42	-1.0	-46.86	314.81	2.34	-44.52
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004617382	1	42	-1.0	-46.92	314.87	2.36	-44.56
CCOC1CC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617384	0	40	-1.0	-48.48	331.76	-0.59	-49.07
CCOC1CC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617384	1	40	-1.0	-48.52	331.82	-0.57	-49.09
CC(CCNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004617385	0	41	-1.0	-47.14	336.36	5.38	-41.76
CC(CCNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004617385	1	41	-1.0	-47.16	336.42	5.39	-41.77
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004617387	0	40	-1.0	-50.88	326.61	5.00	-45.88
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004617387	1	40	-1.0	-50.92	326.67	5.02	-45.90
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC2=C1	REAL250004617388	0	33	-1.0	-51.40	284.66	3.38	-48.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC2=C1	REAL250004617388	1	33	-1.0	-51.42	284.72	3.40	-48.02
CN(CCCCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004617389	0	38	-1.0	-50.19	313.18	1.57	-48.62
CN(CCCCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004617389	1	38	-1.0	-50.22	313.24	1.58	-48.64
CN(CCCCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617390	0	38	-1.0	-38.45	320.87	1.96	-36.49
CN(CCCCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617390	1	38	-1.0	-38.40	320.94	1.99	-36.41
CC1OCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004617391	0	37	-1.0	-48.72	302.41	-1.43	-50.15
CC1OCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004617391	1	37	-1.0	-48.75	302.47	-1.42	-50.17
COCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004617392	0	36	-1.0	-47.50	300.67	2.52	-44.98
COCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004617392	1	36	-1.0	-47.49	300.72	2.54	-44.95
COCC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617393	0	36	-1.0	-38.09	308.38	2.42	-35.67
COCC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617393	1	36	-1.0	-38.07	308.45	2.44	-35.63
C[C@@H]1COCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617394	0	36	-1.0	-52.24	284.63	4.30	-47.94
C[C@@H]1COCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617394	1	36	-1.0	-52.05	284.71	4.32	-47.73
C[C@@H]1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617395	0	33	-1.0	-34.81	270.37	2.13	-32.68
C[C@@H]1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617395	1	33	-1.0	-34.79	270.44	2.14	-32.65
O=C(CCCC1=N[N-]N=N1)NCCC(O)C(F)(F)F	REAL250004617396	0	32	-1.0	-48.87	289.90	-0.86	-49.73
O=C(CCCC1=NN=N[N-]1)NCCC(O)C(F)(F)F	REAL250004617396	1	32	-1.0	-48.90	289.96	-0.84	-49.74
O=C(CCCC1=N[N-]N=N1)NNC(=O)NCC(F)(F)F	REAL250004617397	0	31	-1.0	-49.32	289.51	-0.69	-50.01
O=C(CCCC1=NN=N[N-]1)NNC(=O)NCC(F)(F)F	REAL250004617397	1	31	-1.0	-49.33	289.57	-0.67	-50.00
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617398	0	36	-1.0	-53.05	307.20	6.49	-46.56
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617398	1	36	-1.0	-53.13	307.67	6.48	-46.65
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617399	0	33	-1.0	-35.13	293.44	3.37	-31.76
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617399	1	33	-1.0	-35.10	293.51	3.38	-31.72
O=C(NCC1(F)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617400	0	35	-1.0	-50.71	297.71	5.52	-45.19
O=C(NCC1(F)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617400	1	35	-1.0	-50.49	297.81	5.54	-44.95
O=C(NCC1(F)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617401	0	32	-1.0	-36.10	283.94	2.39	-33.71
O=C(NCC1(F)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617401	1	32	-1.0	-36.07	284.00	2.41	-33.66
CC(C)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004617402	0	35	-1.0	-49.04	295.28	3.46	-45.58
CC(C)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004617402	1	35	-1.0	-49.01	295.23	3.45	-45.56
CC(C)N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004617403	0	35	-1.0	-39.04	305.89	3.28	-35.76
CC(C)N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004617403	1	35	-1.0	-39.04	305.82	3.27	-35.77
N#CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004617404	0	33	-1.0	-51.52	293.46	5.25	-46.27
N#CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004617404	1	33	-1.0	-50.83	293.95	5.21	-45.62
N#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004617405	0	30	-1.0	-40.77	279.73	2.11	-38.66
N#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004617405	1	30	-1.0	-40.76	279.80	2.11	-38.65
CCCC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004617406	0	43	-1.0	-51.69	353.20	4.45	-47.24
CCCC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004617406	1	43	-1.0	-51.73	353.25	4.46	-47.27
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N(CC2CC2)C1	REAL250004617407	0	37	-1.0	-47.06	315.81	4.23	-42.83
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N(CC2CC2)C1	REAL250004617407	1	37	-1.0	-47.10	315.86	4.24	-42.86
CN1CC2CN(C(=O)CCCC3=N[N-]N=N3)CCN2C1=O	REAL250004617408	0	39	-1.0	-51.61	314.17	2.81	-48.80
CN1CC2CN(C(=O)CCCC3=NN=N[N-]3)CCN2C1=O	REAL250004617408	1	39	-1.0	-51.60	314.23	2.82	-48.78
CCC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004617409	0	37	-1.0	-46.62	307.58	3.76	-42.86
CCC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004617409	1	37	-1.0	-46.65	307.63	3.77	-42.88
C=CCC(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617410	0	38	-1.0	-52.97	312.32	6.20	-46.77
C=CCC(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617410	1	38	-1.0	-52.72	312.39	6.22	-46.50
C=CCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617411	0	35	-1.0	-35.58	298.14	3.10	-32.48
C=CCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617411	1	35	-1.0	-35.58	298.20	3.11	-32.47
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1CCCC1	REAL250004617412	0	45	-1.0	-47.43	349.93	2.47	-44.96
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1CCCC1	REAL250004617412	1	45	-1.0	-47.42	349.98	2.49	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1(F)CCCCC1	REAL250004617413	0	38	-1.0	-45.77	304.91	3.93	-41.84
O=C(CCCC1=NN=N[N-]1)NCC1(F)CCCCC1	REAL250004617413	1	38	-1.0	-45.74	304.97	3.95	-41.79
CC(O)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617414	0	38	-1.0	-53.35	318.73	2.38	-50.97
CC(O)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617414	1	38	-1.0	-53.08	318.79	2.40	-50.68
CC(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617415	0	35	-1.0	-36.71	304.57	-0.70	-37.41
CC(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617415	1	35	-1.0	-36.70	304.64	-0.69	-37.39
CC(C)(C)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004617416	0	38	-1.0	-45.76	298.27	0.44	-45.32
CC(C)(C)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004617416	1	38	-1.0	-45.80	298.33	0.46	-45.34
CC(C)(C)C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617417	0	38	-1.0	-36.32	308.84	0.25	-36.07
CC(C)(C)C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617417	1	38	-1.0	-36.28	308.91	0.26	-36.02
COC1=CC=CC=C1CONC(=O)CCCC1=N[N-]N=N1	REAL250004617418	0	37	-1.0	-52.09	319.13	3.93	-48.16
COC1=CC=CC=C1CONC(=O)CCCC1=NN=N[N-]1	REAL250004617418	1	37	-1.0	-52.08	319.19	3.95	-48.13
CS(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617419	0	37	-1.0	-51.61	316.12	1.04	-50.57
CS(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617419	1	37	-1.0	-51.62	316.17	1.06	-50.56
C=C(C)C1OCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617420	0	40	-1.0	-48.69	320.33	2.44	-46.25
C=C(C)C1OCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617420	1	40	-1.0	-48.72	320.38	2.45	-46.27
O=C(CCCC1=N[N-]N=N1)N1CCCCC2=C1C=CS2	REAL250004617421	0	36	-1.0	-44.75	303.08	5.85	-38.90
O=C(CCCC1=NN=N[N-]1)N1CCCCC2=C1C=CS2	REAL250004617421	1	36	-1.0	-44.77	303.13	5.86	-38.91
O=C(CCCC1=N[N-]N=N1)N1CC(OC(F)F)C1	REAL250004617422	0	30	-1.0	-48.46	272.56	1.41	-47.05
O=C(CCCC1=NN=N[N-]1)N1CC(OC(F)F)C1	REAL250004617422	1	30	-1.0	-48.53	272.62	1.42	-47.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(OC(F)F)C1	REAL250004617423	0	30	-1.0	-37.95	280.55	1.32	-36.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(OC(F)F)C1	REAL250004617423	1	30	-1.0	-37.94	280.62	1.34	-36.60
CNC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004617424	0	38	-1.0	-46.21	308.87	0.35	-45.86
CNC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004617424	1	38	-1.0	-46.24	308.92	0.37	-45.87
C[C@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004617425	0	44	-1.0	-46.96	340.76	5.43	-41.53
C[C@H](CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004617425	1	44	-1.0	-46.99	340.81	5.44	-41.55
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC2(CCC2)C1	REAL250004617426	0	43	-1.0	-49.67	341.56	1.59	-48.08
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC2(CCC2)C1	REAL250004617426	1	43	-1.0	-49.68	341.62	1.60	-48.08
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCCCC1	REAL250004617427	0	42	-1.0	-46.68	332.76	5.20	-41.48
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCCCC1	REAL250004617427	1	42	-1.0	-46.68	332.82	5.21	-41.47
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(F)C=C1	REAL250004617428	0	36	-1.0	-48.88	313.10	4.96	-43.92
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(F)C=C1	REAL250004617428	1	36	-1.0	-48.87	313.16	4.98	-43.89
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2CCC2)=CS1	REAL250004617429	0	35	-1.0	-45.12	303.89	4.06	-41.06
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2CCC2)=CS1	REAL250004617429	1	35	-1.0	-45.16	303.95	4.08	-41.08
CC1C(C)S(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617430	0	37	-1.0	-56.31	293.91	2.32	-53.99
CC1C(C)S(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617430	1	37	-1.0	-56.33	293.96	2.33	-54.00
CCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)OCC	REAL250004617431	0	43	-1.0	-46.69	345.20	5.66	-41.03
CCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)OCC	REAL250004617431	1	43	-1.0	-46.63	345.26	5.67	-40.96
CC1=NN2C=C(NC(=O)CCCC3=N[N-]N=N3)C=CC2=N1	REAL250004617432	0	34	-1.0	-51.28	300.23	3.67	-47.61
CC1=NN2C=C(NC(=O)CCCC3=NN=N[N-]3)C=CC2=N1	REAL250004617432	1	34	-1.0	-51.29	300.29	3.68	-47.61
N#CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617433	0	29	-1.0	-59.68	264.77	3.85	-55.83
N#CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617433	1	29	-1.0	-59.49	264.84	3.87	-55.62
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617434	0	33	-1.0	-45.35	291.73	3.21	-42.14
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617434	1	33	-1.0	-45.35	291.79	3.22	-42.13
CSC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004617435	0	33	-1.0	-35.85	304.19	2.80	-33.05
CSC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004617435	1	33	-1.0	-35.82	304.25	2.81	-33.01
CC1=CC=C(F)C(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004617436	0	38	-1.0	-46.10	318.22	6.11	-39.99
CC1=CC=C(F)C(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004617436	1	38	-1.0	-46.15	318.28	6.12	-40.03
COC1=CC=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617437	0	36	-1.0	-49.98	306.25	3.70	-46.28
COC1=CC=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617437	1	36	-1.0	-50.00	306.31	3.71	-46.29
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004617438	0	36	-1.0	-48.78	307.61	1.45	-47.33
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004617438	1	36	-1.0	-48.80	307.66	1.46	-47.34
CCOC1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004617439	0	43	-1.0	-47.24	327.86	5.47	-41.77
CCOC1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004617439	1	43	-1.0	-47.28	327.92	5.49	-41.79
C#CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004617440	0	36	-1.0	-53.83	305.54	5.93	-47.90
C#CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004617440	1	36	-1.0	-53.64	305.61	5.95	-47.69
C#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004617441	0	33	-1.0	-35.98	291.39	2.82	-33.16
C#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004617441	1	33	-1.0	-35.98	291.46	2.83	-33.15
O=C(CCCC1=NN=N[N-]1)NC1=CN=CC(F)=C1	REAL250004617442	0	28	-1.0	-48.46	254.40	1.68	-46.78
O=C(CCCC1=N[N-]N=N1)NC1=CN=CC(F)=C1	REAL250004617442	1	28	-1.0	-48.49	254.34	1.67	-46.82
O=C(NC1=CN=CC(F)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617443	0	31	-1.0	-54.10	279.30	4.54	-49.56
O=C(NC1=CN=CC(F)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617443	1	31	-1.0	-53.85	279.35	4.55	-49.30
O=C(NC1=CN=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617444	0	28	-1.0	-35.08	264.99	1.47	-33.61
O=C(NC1=CN=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617444	1	28	-1.0	-35.04	264.92	1.46	-33.58
CNC(=O)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004617445	0	39	-1.0	-59.56	320.32	1.56	-58.00
CNC(=O)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004617445	1	39	-1.0	-59.51	320.38	1.57	-57.94
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004617446	0	33	-1.0	-48.08	298.79	3.21	-44.87
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004617446	1	33	-1.0	-48.09	298.85	3.22	-44.87
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCC2)C=C1	REAL250004617447	0	39	-1.0	-48.01	318.73	5.95	-42.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCC2)C=C1	REAL250004617447	1	39	-1.0	-48.00	318.79	5.96	-42.04
O=C(CCCC1=N[N-]N=N1)N1CCCC2=NNC=C21	REAL250004617448	0	33	-1.0	-49.35	273.24	2.45	-46.90
O=C(CCCC1=NN=N[N-]1)N1CCCC2=NNC=C21	REAL250004617448	1	33	-1.0	-49.36	273.30	2.47	-46.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2=NNC=C21	REAL250004617449	0	33	-1.0	-36.62	280.20	2.71	-33.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2=NNC=C21	REAL250004617449	1	33	-1.0	-36.60	280.27	2.72	-33.88
CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004617450	0	32	-1.0	-53.26	280.75	0.90	-52.36
CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004617450	1	32	-1.0	-53.29	280.80	0.92	-52.37
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004617451	0	32	-1.0	-41.11	291.31	0.70	-40.41
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004617451	1	32	-1.0	-41.10	291.38	0.70	-40.40
CC(C)N(CC1CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004617453	0	41	-1.0	-46.43	316.63	5.91	-40.52
CC(C)N(CC1CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004617453	1	41	-1.0	-46.44	316.69	5.93	-40.51
COCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004617454	0	36	-1.0	-49.14	308.33	3.08	-46.06
COCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004617454	1	36	-1.0	-49.12	308.39	3.10	-46.02
CC1(C2=CC=CC=C2)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617455	0	42	-1.0	-47.35	339.23	5.71	-41.64
CC1(C2=CC=CC=C2)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617455	1	42	-1.0	-47.37	339.29	5.73	-41.64
CC1=C(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004617456	0	36	-1.0	-35.14	294.36	5.00	-30.14
CC1=C(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004617456	1	36	-1.0	-35.09	294.43	5.01	-30.08
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)(F)C1	REAL250004617457	0	35	-1.0	-47.89	297.74	3.32	-44.57
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)(F)C1	REAL250004617457	1	35	-1.0	-47.90	297.79	3.33	-44.57
COC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617458	0	34	-1.0	-48.04	285.79	3.22	-44.82
COC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617458	1	34	-1.0	-48.03	285.84	3.23	-44.80
COC(=O)C(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617459	0	34	-1.0	-37.78	294.93	3.68	-34.10
COC(=O)C(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617459	1	34	-1.0	-37.77	294.99	3.69	-34.08
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2=CC=CC=C21	REAL250004617460	0	37	-1.0	-48.63	301.13	2.69	-45.94
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2=CC=CC=C21	REAL250004617460	1	37	-1.0	-48.63	301.18	2.71	-45.92
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004617461	0	40	-1.0	-47.13	327.84	0.88	-46.25
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004617461	1	40	-1.0	-47.18	327.90	0.90	-46.28
O=C(CCCC1=N[N-]N=N1)NC1C2=CC=CC=C2CC1O	REAL250004617462	0	37	-1.0	-53.83	313.21	1.33	-52.50
O=C(CCCC1=NN=N[N-]1)NC1C2=CC=CC=C2CC1O	REAL250004617462	1	37	-1.0	-53.83	313.27	1.35	-52.48
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)C1=CC=C(F)C=C1	REAL250004617463	0	36	-1.0	-48.39	314.44	1.24	-47.15
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)C1=CC=C(F)C=C1	REAL250004617463	1	36	-1.0	-48.36	314.50	1.26	-47.10
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C1=CC=C(F)C=C1	REAL250004617464	0	36	-1.0	-48.44	314.95	1.14	-47.30
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C1=CC=C(F)C=C1	REAL250004617464	1	36	-1.0	-48.48	315.01	1.16	-47.32
C=CCC1N(C(=O)CCCC2=N[N-]N=N2)CCCC1(C)C	REAL250004617465	0	45	-1.0	-44.36	321.32	6.32	-38.04
C=CCC1N(C(=O)CCCC2=NN=N[N-]2)CCCC1(C)C	REAL250004617465	1	45	-1.0	-44.36	321.38	6.33	-38.03
C#CC(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617466	0	33	-1.0	-38.48	281.88	6.22	-32.26
C#CC(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617466	1	33	-1.0	-38.33	281.98	6.24	-32.09
C#CC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617467	0	30	-1.0	-35.90	268.59	4.01	-31.89
C#CC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617467	1	30	-1.0	-35.84	268.66	4.02	-31.82
O=C(CCCC1=N[N-]N=N1)NC1CC1C1=CC=CC=C1	REAL250004617468	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)NC1CC1C1=CC=CC=C1	REAL250004617468	1	36	-1.0	-48.43	306.74	4.91	-43.52
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1C	REAL250004617469	0	44	-1.0	-46.06	328.32	4.58	-41.48
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1C	REAL250004617469	1	44	-1.0	-46.08	328.38	4.59	-41.49
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCOCC1	REAL250004617470	0	40	-1.0	-47.47	320.23	-1.00	-48.47
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCOCC1	REAL250004617470	1	40	-1.0	-47.48	320.29	-0.99	-48.47
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC(F)F	REAL250004617471	0	32	-1.0	-48.40	290.90	-0.72	-49.12
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC(F)F	REAL250004617471	1	32	-1.0	-48.45	290.96	-0.70	-49.15
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004617472	0	35	-1.0	-48.31	303.64	0.90	-47.41
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004617472	1	35	-1.0	-48.32	303.70	0.91	-47.41
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004617473	0	39	-1.0	-47.43	322.82	5.43	-42.00
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004617473	1	39	-1.0	-47.46	322.88	5.44	-42.02
O=C(NCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617474	0	28	-1.0	-54.39	250.51	3.49	-50.90
O=C(NCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617474	1	28	-1.0	-54.24	250.58	3.51	-50.73
O=C(NCCCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617475	0	35	-1.0	-55.95	298.34	1.55	-54.40
O=C(NCCCCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617475	1	35	-1.0	-55.73	298.41	1.57	-54.16
O=C(NCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617476	0	32	-1.0	-37.24	284.18	-1.54	-38.78
O=C(NCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617476	1	32	-1.0	-37.26	284.25	-1.53	-38.79
COCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004617477	0	37	-1.0	-49.95	314.64	2.79	-47.16
COCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004617477	1	37	-1.0	-49.95	314.70	2.81	-47.14
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004617478	0	34	-1.0	-49.32	298.61	2.57	-46.75
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004617478	1	34	-1.0	-49.31	298.67	2.59	-46.72
CC1(C)OCC(CO)(NC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004617480	0	41	-1.0	-47.06	322.57	-1.95	-49.01
CC1(C)OCC(CO)(NC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004617480	1	41	-1.0	-47.08	322.63	-1.94	-49.02
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1C	REAL250004617481	0	32	-1.0	-43.50	273.91	6.10	-37.40
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1C	REAL250004617481	1	32	-1.0	-43.52	273.85	6.09	-37.43
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NC=CN2)CC1	REAL250004617482	0	38	-1.0	-52.47	309.70	3.47	-49.00
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NC=CN2)CC1	REAL250004617482	1	38	-1.0	-52.47	309.76	3.48	-48.99
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617483	0	32	-1.0	-55.96	268.41	5.14	-50.82
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617483	1	32	-1.0	-55.87	268.19	5.17	-50.70
CN1CCN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL250004617484	1	43	-1.0	-46.99	335.45	0.01	-46.98
CN1CCN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL250004617484	1	43	-1.0	-47.05	335.51	0.03	-47.02
CN1CC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004617485	1	38	-1.0	-49.38	306.03	0.80	-48.58
CN1CC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004617485	1	38	-1.0	-49.39	306.08	0.82	-48.57
CN1CC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004617486	1	38	-1.0	-36.64	311.90	0.92	-35.72
CN1CC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004617486	1	38	-1.0	-36.70	311.84	0.92	-35.78
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=NOC=N1	REAL250004617487	0	36	-1.0	-48.99	303.83	0.17	-48.82
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=NOC=N1	REAL250004617487	1	36	-1.0	-49.02	303.89	0.18	-48.84
C=CC1CCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617488	0	39	-1.0	-53.35	307.71	7.26	-46.09
C=CC1CCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617488	1	39	-1.0	-53.08	307.80	7.27	-45.81
C=CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617489	0	36	-1.0	-34.60	293.44	4.93	-29.67
C=CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617489	1	36	-1.0	-34.53	293.50	4.96	-29.57
CC1(C#N)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617490	0	33	-1.0	-62.48	287.47	5.45	-57.03
CC1(C#N)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617490	1	33	-1.0	-63.17	288.09	5.47	-57.70
CC1(C#N)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617491	0	30	-1.0	-43.32	275.88	2.86	-40.46
CC1(C#N)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617491	1	30	-1.0	-43.32	275.95	2.87	-40.45
O=C(CCCC1=N[N-]N=N1)N(CCO)C1CCSCC1	REAL250004617493	0	40	-1.0	-49.04	323.42	2.35	-46.69
O=C(CCCC1=NN=N[N-]1)N(CCO)C1CCSCC1	REAL250004617493	1	40	-1.0	-49.04	323.48	2.36	-46.68
N#CCC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004617494	0	36	-1.0	-63.11	314.39	5.90	-57.21
N#CCC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004617494	1	36	-1.0	-62.89	314.44	5.91	-56.98
N#CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004617495	0	33	-1.0	-41.00	301.97	2.80	-38.20
N#CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004617495	1	33	-1.0	-40.98	302.04	2.81	-38.17
O=C(CCCC1=N[N-]N=N1)OC1=CC=C2NC(=O)CC2=C1	REAL250004617496	0	33	-1.0	-46.43	294.50	4.09	-42.34
O=C(CCCC1=NN=N[N-]1)OC1=CC=C2NC(=O)CC2=C1	REAL250004617496	1	33	-1.0	-46.46	294.56	4.10	-42.36
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004617497	0	39	-1.0	-48.26	305.62	5.24	-43.02
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004617497	1	39	-1.0	-48.31	305.68	5.25	-43.06
COC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004617500	0	39	-1.0	-49.64	320.34	4.24	-45.40
COC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004617500	1	39	-1.0	-49.69	320.40	4.25	-45.44
CC(C)C1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004617501	0	38	-1.0	-47.13	321.08	2.52	-44.61
CC(C)C1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004617501	1	38	-1.0	-47.18	321.14	2.54	-44.64
CC1=NC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617503	0	31	-1.0	-46.78	282.79	2.83	-43.95
CC1=NC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617503	1	31	-1.0	-46.82	282.84	2.85	-43.97
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2(CCC2)C1	REAL250004617504	0	39	-1.0	-55.35	310.59	7.08	-48.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2(CCC2)C1	REAL250004617504	1	39	-1.0	-40.55	310.92	7.07	-33.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCC2)C1	REAL250004617505	0	36	-1.0	-36.17	297.83	4.81	-31.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCC2)C1	REAL250004617505	1	36	-1.0	-36.16	297.90	4.82	-31.34
CCN1C=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004617506	0	38	-1.0	-58.37	324.76	3.21	-55.16
CCN1C=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004617506	1	38	-1.0	-58.34	324.82	3.22	-55.12
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC(F)=C1	REAL250004617507	0	36	-1.0	-48.79	313.10	4.96	-43.83
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC(F)=C1	REAL250004617507	1	36	-1.0	-48.79	313.16	4.98	-43.81
CCCC1(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617508	0	42	-1.0	-48.43	325.35	2.96	-45.47
CCCC1(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617508	1	42	-1.0	-48.46	325.40	2.97	-45.49
COC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617509	0	33	-1.0	-46.70	288.20	-0.95	-47.65
COC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617509	1	33	-1.0	-46.63	288.14	-0.96	-47.59
CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004617510	0	41	-1.0	-45.15	324.39	2.56	-42.59
CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004617510	1	41	-1.0	-45.15	324.45	2.57	-42.58
O=C(CCCC1=N[N-]N=N1)NCC1CCCOC1	REAL250004617511	0	36	-1.0	-46.57	292.19	1.48	-45.09
O=C(CCCC1=NN=N[N-]1)NCC1CCCOC1	REAL250004617511	1	36	-1.0	-46.59	292.25	1.50	-45.09
O=C(NCC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617512	0	36	-1.0	-36.09	302.78	1.27	-34.82
O=C(NCC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617512	1	36	-1.0	-36.01	302.84	1.28	-34.73
CCNC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617513	0	42	-1.0	-47.05	346.21	1.35	-45.70
CCNC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617513	1	42	-1.0	-47.08	346.26	1.36	-45.72
COCCC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617514	0	39	-1.0	-49.72	316.55	2.48	-47.24
COCCC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617514	1	39	-1.0	-49.70	316.61	2.49	-47.21
CCC1(C)NC(=O)N(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004617515	0	37	-1.0	-55.63	317.02	0.18	-55.45
CCC1(C)NC(=O)N(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004617515	1	37	-1.0	-55.65	317.08	0.19	-55.46
COC(=O)C1CSCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617516	0	33	-1.0	-51.33	293.02	4.09	-47.24
COC(=O)C1CSCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617516	1	33	-1.0	-51.36	293.08	4.10	-47.26
COC(=O)CNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004617517	0	35	-1.0	-48.24	311.47	-0.92	-49.16
COC(=O)CNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004617517	1	35	-1.0	-48.25	311.53	-0.91	-49.16
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCOCC2)C1	REAL250004617518	0	43	-1.0	-48.23	319.50	4.19	-44.04
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCOCC2)C1	REAL250004617518	1	43	-1.0	-48.24	319.56	4.20	-44.04
CCN(C)C(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004617519	0	38	-1.0	-47.28	312.02	1.65	-45.63
CCN(C)C(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004617519	1	38	-1.0	-47.32	312.07	1.66	-45.66
COC(=O)[C@@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617520	0	34	-1.0	-48.02	285.78	3.22	-44.80
COC(=O)[C@@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617520	1	34	-1.0	-48.03	285.84	3.23	-44.80
COC(=O)[C@@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617521	0	34	-1.0	-37.77	294.93	3.68	-34.09
COC(=O)[C@@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617521	1	34	-1.0	-37.77	294.99	3.69	-34.08
COCC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617522	0	36	-1.0	-51.54	305.03	1.49	-50.05
COCC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617522	1	36	-1.0	-51.36	305.10	1.51	-49.85
COCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617523	0	33	-1.0	-37.52	290.88	-1.61	-39.13
COCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617523	1	33	-1.0	-37.49	290.94	-1.59	-39.08
CC1=CC=NC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617524	0	37	-1.0	-52.66	301.19	4.05	-48.61
CC1=CC=NC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617524	1	37	-1.0	-52.69	301.25	4.06	-48.63
O=C(NCCN1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617527	0	38	-1.0	-35.11	313.97	0.66	-34.45
O=C(NCCN1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617527	1	38	-1.0	-35.09	314.03	0.66	-34.43
CCN1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617528	0	34	-1.0	-47.23	296.18	2.56	-44.67
CCN1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617528	1	34	-1.0	-47.23	296.24	2.57	-44.66
CCN1N=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617529	0	34	-1.0	-38.27	306.76	2.35	-35.92
CCN1N=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617529	1	34	-1.0	-38.29	306.83	2.35	-35.94
CC(CN1CCOCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617530	0	44	-1.0	-48.73	342.59	1.95	-46.78
CC(CN1CCOCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617530	1	44	-1.0	-48.75	342.65	1.97	-46.78
O=C(CCCC1=N[N-]N=N1)N1CCCC1CC(F)(F)F	REAL250004617531	0	35	-1.0	-47.12	296.10	4.57	-42.55
O=C(CCCC1=NN=N[N-]1)N1CCCC1CC(F)(F)F	REAL250004617531	1	35	-1.0	-47.14	296.16	4.59	-42.55
C=CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004617532	0	36	-1.0	-45.27	302.59	3.28	-41.99
C=CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004617532	1	36	-1.0	-45.30	302.65	3.29	-42.01
C=CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617533	0	36	-1.0	-36.10	308.83	3.88	-32.22
C=CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617533	1	36	-1.0	-36.03	308.89	3.89	-32.14
COC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004617534	0	35	-1.0	-48.33	316.70	2.41	-45.92
COC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004617534	1	35	-1.0	-48.36	316.76	2.43	-45.93
CCC1(CC)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617535	0	47	-1.0	-47.01	344.19	5.01	-42.00
CCC1(CC)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617535	1	47	-1.0	-46.99	344.24	5.03	-41.96
CC1=CC=CC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004617536	0	35	-1.0	-49.87	310.71	1.12	-48.75
CC1=CC=CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004617536	1	35	-1.0	-49.94	310.77	1.13	-48.81
CC1=CSC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617537	0	32	-1.0	-45.34	287.97	3.09	-42.25
CC1=CSC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617537	1	32	-1.0	-45.33	288.02	3.10	-42.23
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617538	0	35	-1.0	-40.06	288.87	5.76	-34.30
CC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617538	1	35	-1.0	-39.97	289.33	5.72	-34.25
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617539	0	32	-1.0	-37.01	276.29	3.31	-33.70
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617539	1	32	-1.0	-36.97	276.35	3.34	-33.63
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C2COCCN12	REAL250004617540	0	36	-1.0	-51.39	308.12	1.11	-50.28
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C2COCCN12	REAL250004617540	1	36	-1.0	-51.37	308.18	1.12	-50.25
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(F)C=C21	REAL250004617541	0	33	-1.0	-46.33	279.94	5.38	-40.95
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(F)C=C21	REAL250004617541	1	33	-1.0	-46.32	279.99	5.39	-40.93
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)C1	REAL250004617542	0	45	-1.0	-48.83	343.86	5.30	-43.53
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)C1	REAL250004617542	1	45	-1.0	-48.86	343.92	5.32	-43.54
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)C1	REAL250004617543	0	39	-1.0	-47.36	300.97	5.24	-42.12
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)C1	REAL250004617543	1	39	-1.0	-47.40	301.03	5.26	-42.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CCC2)C1	REAL250004617544	0	39	-1.0	-35.72	310.42	5.51	-30.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CCC2)C1	REAL250004617544	1	39	-1.0	-35.72	310.49	5.52	-30.20
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C2CC2)O1	REAL250004617545	0	40	-1.0	-46.63	315.16	4.60	-42.03
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C2CC2)O1	REAL250004617545	1	40	-1.0	-46.66	315.22	4.61	-42.05
CC(C)CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004617546	0	39	-1.0	-49.55	325.49	3.32	-46.23
CC(C)CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004617546	1	39	-1.0	-49.54	325.55	3.34	-46.20
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CC1	REAL250004617547	0	36	-1.0	-46.02	302.76	0.42	-45.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CC1	REAL250004617547	1	36	-1.0	-46.06	302.82	0.44	-45.62
O=C(NC(CO)CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617548	0	36	-1.0	-36.62	312.84	0.35	-36.27
O=C(NC(CO)CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617548	1	36	-1.0	-36.63	312.91	0.36	-36.27
CN1N=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004617549	0	30	-1.0	-49.27	270.68	-0.79	-50.06
CN1N=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004617549	1	30	-1.0	-49.27	270.74	-0.78	-50.05
CN1N=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004617550	0	30	-1.0	-39.54	281.28	-1.00	-40.54
CN1N=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004617550	1	30	-1.0	-39.52	281.35	-1.00	-40.52
O=C(CCCC1=N[N-]N=N1)NCC1(N2CCOCC2)CC1	REAL250004617552	0	42	-1.0	-48.27	335.01	0.60	-47.67
O=C(CCCC1=NN=N[N-]1)NCC1(N2CCOCC2)CC1	REAL250004617552	1	42	-1.0	-48.25	335.07	0.62	-47.63
COC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004617553	0	35	-1.0	-52.73	296.80	4.52	-48.21
COC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004617553	1	35	-1.0	-52.70	296.85	4.53	-48.17
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N(C2CC2)C1	REAL250004617554	0	34	-1.0	-46.96	289.00	3.28	-43.68
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N(C2CC2)C1	REAL250004617554	1	34	-1.0	-46.95	289.06	3.30	-43.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(=O)N(C2CC2)C1	REAL250004617555	0	34	-1.0	-37.94	296.20	3.39	-34.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(=O)N(C2CC2)C1	REAL250004617555	1	34	-1.0	-37.87	296.26	3.39	-34.48
N#CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004617556	0	37	-1.0	-49.93	322.87	5.11	-44.82
N#CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004617556	1	37	-1.0	-49.93	322.92	5.13	-44.80
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004617557	0	42	-1.0	-45.93	326.75	6.90	-39.03
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004617557	1	42	-1.0	-45.92	326.81	6.91	-39.01
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCOC1	REAL250004617558	0	34	-1.0	-46.70	290.46	-0.78	-47.48
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCOC1	REAL250004617558	1	34	-1.0	-46.68	290.52	-0.77	-47.45
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1OC	REAL250004617559	0	37	-1.0	-51.85	308.29	1.63	-50.22
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1OC	REAL250004617559	1	37	-1.0	-51.88	308.34	1.64	-50.24
CC(C)OC(=O)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004617560	0	43	-1.0	-48.54	357.99	4.64	-43.90
CC(C)OC(=O)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004617560	1	43	-1.0	-48.56	358.05	4.66	-43.90
CC1(O)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004617561	0	33	-1.0	-60.72	278.73	1.78	-58.94
CC1(O)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004617561	1	33	-1.0	-60.29	279.36	1.81	-58.48
CC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617562	0	30	-1.0	-40.18	267.10	-0.81	-40.99
CC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617562	1	30	-1.0	-40.08	267.17	-0.80	-40.88
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(=O)C2CC2)C1	REAL250004617563	0	39	-1.0	-48.90	324.11	4.51	-44.39
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(=O)C2CC2)C1	REAL250004617563	1	39	-1.0	-48.94	324.17	4.53	-44.41
NC(=O)C(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617564	0	33	-1.0	-56.27	292.03	-1.87	-58.14
NC(=O)C(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617564	1	33	-1.0	-56.08	292.09	-1.85	-57.93
NC(=O)C(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617565	0	30	-1.0	-41.12	277.87	-4.96	-46.08
NC(=O)C(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617565	1	30	-1.0	-41.07	277.94	-4.95	-46.02
CC(=O)N1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617566	0	42	-1.0	-51.85	335.77	2.62	-49.23
CC(=O)N1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617566	1	42	-1.0	-51.87	335.82	2.64	-49.23
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC=C1F	REAL250004617567	0	38	-1.0	-48.58	327.65	5.06	-43.52
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC=C1F	REAL250004617567	1	38	-1.0	-48.57	327.70	5.08	-43.49
COCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617568	0	33	-1.0	-59.31	290.92	3.74	-55.57
COCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617568	1	33	-1.0	-59.14	290.99	3.76	-55.38
COCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617569	0	30	-1.0	-38.82	276.76	0.65	-38.17
COCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617569	1	30	-1.0	-38.79	276.83	0.65	-38.14
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCO2	REAL250004617570	0	34	-1.0	-48.27	288.85	3.23	-45.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCO2	REAL250004617570	1	34	-1.0	-48.32	288.90	3.24	-45.08
CSCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617571	0	33	-1.0	-54.76	302.03	5.69	-49.07
CSCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617571	1	33	-1.0	-54.58	302.10	5.72	-48.86
CSCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617572	0	30	-1.0	-36.13	287.87	2.60	-33.53
CSCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617572	1	30	-1.0	-36.10	287.94	2.60	-33.50
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCC2)C(F)C1	REAL250004617573	0	41	-1.0	-50.64	323.08	2.10	-48.54
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCC2)C(F)C1	REAL250004617573	1	41	-1.0	-50.70	323.14	2.11	-48.59
N#CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004617574	0	32	-1.0	-49.80	294.95	2.01	-47.79
N#CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004617574	1	32	-1.0	-49.82	295.01	2.02	-47.80
C#CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004617575	0	34	-1.0	-50.67	309.24	2.66	-48.01
C#CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004617575	1	34	-1.0	-50.68	309.18	2.64	-48.04
CC(C)(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004617577	0	42	-1.0	-46.62	322.49	3.78	-42.84
CC(C)(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004617577	1	42	-1.0	-46.64	322.54	3.80	-42.84
CC(O)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617578	0	42	-1.0	-44.73	319.31	2.74	-41.99
CC(O)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617578	1	42	-1.0	-44.71	319.37	2.76	-41.95
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617579	0	38	-1.0	-46.20	304.95	3.79	-42.41
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617579	1	38	-1.0	-46.24	305.00	3.81	-42.43
CC1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004617580	0	38	-1.0	-34.74	315.44	3.59	-31.15
CC1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004617580	1	38	-1.0	-34.74	315.51	3.59	-31.15
CS(=O)(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617581	0	35	-1.0	-51.88	311.49	-0.60	-52.48
CS(=O)(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617581	1	35	-1.0	-51.90	311.55	-0.59	-52.49
O=C(CCCC1=N[N-]N=N1)NC(CC(F)(F)F)C1CC1	REAL250004617582	0	35	-1.0	-48.51	298.42	4.88	-43.63
O=C(CCCC1=NN=N[N-]1)NC(CC(F)(F)F)C1CC1	REAL250004617582	1	35	-1.0	-48.47	298.48	4.89	-43.58
CC(C)CC1(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617583	0	45	-1.0	-48.20	335.92	2.78	-45.42
CC(C)CC1(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617583	1	45	-1.0	-48.19	335.98	2.80	-45.39
O=C(CCCC1=N[N-]N=N1)N(CCO)CC(F)F	REAL250004617584	0	32	-1.0	-49.65	273.37	0.38	-49.27
O=C(CCCC1=NN=N[N-]1)N(CCO)CC(F)F	REAL250004617584	1	32	-1.0	-49.66	273.43	0.40	-49.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC(F)F	REAL250004617585	0	32	-1.0	-38.53	284.66	1.13	-37.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC(F)F	REAL250004617585	1	32	-1.0	-38.52	284.73	1.13	-37.39
O=C(CCCC1=N[N-]N=N1)NC1CC1C1=CC=CC(F)=C1	REAL250004617586	0	36	-1.0	-46.13	308.11	5.16	-40.97
O=C(CCCC1=NN=N[N-]1)NC1CC1C1=CC=CC(F)=C1	REAL250004617586	1	36	-1.0	-46.16	308.17	5.17	-40.99
CC1(C)COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617587	0	36	-1.0	-46.07	280.99	2.52	-43.55
CC1(C)COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617587	1	36	-1.0	-46.08	281.05	2.52	-43.56
CC1(C)COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617588	0	36	-1.0	-34.94	288.69	2.77	-32.17
CC1(C)COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617588	1	36	-1.0	-34.89	288.75	2.79	-32.10
CC(C)(O)CONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617589	0	36	-1.0	-60.08	308.99	2.80	-57.28
CC(C)(O)CONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617589	1	36	-1.0	-59.89	309.06	2.82	-57.07
CC(C)(O)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617590	0	33	-1.0	-38.98	295.02	-0.12	-39.10
CC(C)(O)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617590	1	33	-1.0	-38.93	295.09	-0.12	-39.05
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)(C)C1	REAL250004617591	0	41	-1.0	-47.37	316.39	5.42	-41.95
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)(C)C1	REAL250004617591	1	41	-1.0	-47.38	316.45	5.43	-41.95
O=C(NCCCCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617592	0	38	-1.0	-54.27	319.84	2.33	-51.94
O=C(NCCCCCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617592	1	38	-1.0	-54.07	319.90	2.36	-51.71
O=C(NCCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617593	0	35	-1.0	-37.28	305.68	-0.76	-38.04
O=C(NCCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617593	1	35	-1.0	-37.29	305.75	-0.75	-38.04
C[C@@H](C1CCCCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004617594	0	44	-1.0	-47.99	332.80	6.79	-41.20
C[C@@H](C1CCCCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004617594	1	44	-1.0	-48.02	332.86	6.81	-41.21
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CCC(C)N1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004617596	1	41	-1.0	-53.01	334.07	3.83	-49.18
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CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004617597	1	37	-1.0	-52.20	316.45	3.08	-49.12
COC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004617598	0	39	-1.0	-50.19	302.19	3.06	-47.13
COC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004617598	1	39	-1.0	-50.22	302.25	3.08	-47.14
CCC(C)(C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617599	0	40	-1.0	-38.06	303.05	6.61	-31.45
CCC(C)(C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617599	1	40	-1.0	-37.89	303.15	6.63	-31.26
CCC(C)(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617600	0	37	-1.0	-35.59	288.42	4.37	-31.22
CCC(C)(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617600	1	37	-1.0	-35.53	288.49	4.38	-31.15
CC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617601	0	39	-1.0	-47.30	296.44	2.66	-44.64
CC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617601	1	39	-1.0	-47.35	296.50	2.68	-44.67
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CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004617611	0	36	-1.0	-48.18	292.20	0.89	-47.29
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004617611	1	36	-1.0	-48.16	292.25	0.90	-47.26
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CCOC(=O)C1CSCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617616	1	36	-1.0	-51.33	314.91	5.04	-46.29
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CC1(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004617630	0	38	-1.0	-52.68	313.00	6.03	-46.65
CC1(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004617630	1	38	-1.0	-52.48	313.11	6.05	-46.43
CC1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004617631	0	35	-1.0	-34.83	299.22	2.92	-31.91
CC1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004617631	1	35	-1.0	-34.81	299.29	2.93	-31.88
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CC1OCCC12CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL250004617632	1	41	-1.0	-47.03	319.19	2.12	-44.91
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CCC(NC(=O)CCCC1=NN=N[N-]1)C(OC)OC	REAL250004617655	1	39	-1.0	-49.34	312.66	0.97	-48.37
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC1C2	REAL250004617656	0	39	-1.0	-46.13	305.55	4.16	-41.97
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC1C2	REAL250004617656	1	39	-1.0	-46.15	305.61	4.17	-41.98
O=C(NCC1CC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617657	0	39	-1.0	-34.77	315.98	3.94	-30.83
O=C(NCC1CC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617657	1	39	-1.0	-34.80	316.06	3.96	-30.84
CC1CSCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004617658	0	36	-1.0	-48.38	294.41	4.88	-43.50
CC1CSCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004617658	1	36	-1.0	-48.41	294.47	4.89	-43.52
C[C@H]1COC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004617659	0	39	-1.0	-45.47	299.61	3.39	-42.08
C[C@H]1COC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004617659	1	39	-1.0	-45.38	299.67	3.41	-41.97
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004617660	0	36	-1.0	-46.18	287.26	1.33	-44.85
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004617660	1	36	-1.0	-46.22	287.32	1.35	-44.87
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL250004617661	0	36	-1.0	-36.97	295.71	1.18	-35.79
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL250004617661	1	36	-1.0	-36.96	295.78	1.18	-35.78
CCN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617662	0	32	-1.0	-42.45	281.32	0.39	-42.06
CCN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617662	1	32	-1.0	-42.42	281.39	0.40	-42.02
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL250004617663	0	34	-1.0	-46.96	308.46	2.95	-44.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL250004617663	1	34	-1.0	-46.97	308.40	2.94	-44.03
CN(CC1=CC(F)=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004617664	0	35	-1.0	-48.75	309.10	5.72	-43.03
CN(CC1=CC(F)=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004617664	1	35	-1.0	-48.74	309.16	5.74	-43.00
O=C(CCCC1=N[N-]N=N1)NC1CCC(F)CC1	REAL250004617665	0	35	-1.0	-46.68	286.20	3.19	-43.49
O=C(CCCC1=NN=N[N-]1)NC1CCC(F)CC1	REAL250004617665	1	35	-1.0	-46.71	286.26	3.20	-43.51
O=C(NC1CCC(F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617666	0	35	-1.0	-36.38	296.78	2.98	-33.40
O=C(NC1CCC(F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617666	1	35	-1.0	-36.38	296.86	3.00	-33.38
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)(F)F)C1	REAL250004617667	0	35	-1.0	-47.46	300.00	4.49	-42.97
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)(F)F)C1	REAL250004617667	1	35	-1.0	-47.43	300.06	4.50	-42.93
C#CCC(CC#C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004617668	0	35	-1.0	-57.48	312.25	6.71	-50.77
C#CCC(CC#C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004617668	1	35	-1.0	-57.34	312.32	6.73	-50.61
C#CCC(CC#C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617669	0	32	-1.0	-39.73	298.10	3.61	-36.12
C#CCC(CC#C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617669	1	32	-1.0	-39.69	298.14	3.62	-36.07
CSC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004617670	0	34	-1.0	-48.07	301.41	1.62	-46.45
CSC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004617670	1	34	-1.0	-48.09	301.47	1.64	-46.45
O=C(CCCC1=N[N-]N=N1)NCC1CCC(O)C1	REAL250004617671	0	36	-1.0	-47.95	295.68	-0.17	-48.12
O=C(CCCC1=NN=N[N-]1)NCC1CCC(O)C1	REAL250004617671	1	36	-1.0	-47.99	295.74	-0.15	-48.14
O=C(NCC1CCC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004617672	0	36	-1.0	-36.61	306.47	-0.36	-36.97
O=C(NCC1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617672	1	36	-1.0	-36.58	306.54	-0.35	-36.93
CCC(CC)(NC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004617673	0	42	-1.0	-36.20	321.40	6.35	-29.85
CCC(CC)(NC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004617673	1	42	-1.0	-36.18	321.46	6.36	-29.82
CCC(CC)(NC(=O)CCC1=CC=CS1)C1=N[N-]N=N1	REAL250004617674	0	38	-1.0	-34.56	312.12	5.02	-29.54
CCC(CC)(NC(=O)CCC1=CC=CS1)C1=NN=N[N-]1	REAL250004617674	1	38	-1.0	-34.62	312.19	5.03	-29.59
CCC(CC)(NC(=O)C1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004617675	0	34	-1.0	-38.06	275.71	2.64	-35.42
CCC(CC)(NC(=O)C1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004617675	1	34	-1.0	-38.08	275.77	2.64	-35.44
CCC(CC)(NC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004617676	0	35	-1.0	-34.50	281.48	4.63	-29.87
CCC(CC)(NC(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004617676	1	35	-1.0	-34.51	281.54	4.63	-29.88
CCC(CC)(NC(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004617677	0	38	-1.0	-35.99	297.33	5.12	-30.87
CCC(CC)(NC(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004617677	1	38	-1.0	-36.00	297.26	5.11	-30.89
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=N[N-]N=N1	REAL250004617678	0	34	-1.0	-37.80	290.54	3.10	-34.70
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=NN=N[N-]1	REAL250004617678	1	34	-1.0	-37.81	290.60	3.11	-34.70
CCC(CC)(NC(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004617679	0	35	-1.0	-36.49	288.39	4.95	-31.54
CCC(CC)(NC(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004617679	1	35	-1.0	-36.55	288.45	4.96	-31.59
CCC(CC)(NC(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004617680	0	34	-1.0	-39.37	273.14	2.75	-36.62
CCC(CC)(NC(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004617680	1	34	-1.0	-39.31	273.07	2.74	-36.57
CCC(CC)(NC(=O)C=CC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004617681	0	39	-1.0	-37.61	314.92	4.65	-32.96
CCC(CC)(NC(=O)C=CC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004617681	1	39	-1.0	-37.57	314.99	4.67	-32.90
CCC(CC)(NC(=O)C1CC2C=CC1C2)C1=N[N-]N=N1	REAL250004617682	0	40	-1.0	-34.57	295.21	4.95	-29.62
CCC(CC)(NC(=O)C1CC2C=CC1C2)C1=NN=N[N-]1	REAL250004617682	1	40	-1.0	-34.57	295.29	4.96	-29.61
CCC(CC)(NC(=O)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004617683	0	41	-1.0	-35.63	317.26	5.60	-30.03
CCC(CC)(NC(=O)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004617683	1	41	-1.0	-35.66	317.33	5.62	-30.04
CCC(CC)(NC(=O)C1=COCCO1)C1=N[N-]N=N1	REAL250004617684	0	35	-1.0	-36.97	273.21	2.10	-34.87
CCC(CC)(NC(=O)C1=COCCO1)C1=NN=N[N-]1	REAL250004617684	1	35	-1.0	-37.00	273.27	2.11	-34.89
CCC(CC)(NC(=O)C1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL250004617685	0	35	-1.0	-37.81	279.67	1.49	-36.32
CCC(CC)(NC(=O)C1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL250004617685	1	35	-1.0	-37.81	279.74	1.49	-36.32
CCC(CC)(NC(=O)CN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004617686	0	38	-1.0	-44.75	304.67	3.73	-41.02
CCC(CC)(NC(=O)CN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004617686	1	38	-1.0	-44.74	304.73	3.74	-41.00
CCC(CC)(NC(=O)C=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004617687	0	42	-1.0	-35.98	331.79	6.32	-29.66
CCC(CC)(NC(=O)C=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004617687	1	42	-1.0	-35.99	331.85	6.33	-29.66
CCC(CC)(NC(=O)C1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004617688	0	34	-1.0	-36.68	283.61	3.13	-33.55
CCC(CC)(NC(=O)C1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004617688	1	34	-1.0	-36.63	283.54	3.12	-33.51
CCC(CC)(NC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004617689	0	35	-1.0	-36.03	275.93	4.45	-31.58
CCC(CC)(NC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004617689	1	35	-1.0	-36.00	275.86	4.44	-31.56
CCC(CC)(NC(=O)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004617690	0	38	-1.0	-37.55	305.92	5.15	-32.40
CCC(CC)(NC(=O)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004617690	1	38	-1.0	-37.58	305.98	5.17	-32.41
CCC(CC)(NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004617691	0	41	-1.0	-34.96	321.89	5.92	-29.04
CCC(CC)(NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004617691	1	41	-1.0	-34.98	321.95	5.94	-29.04
CCC(CC)(NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004617692	0	41	-1.0	-33.81	300.89	4.80	-29.01
CCC(CC)(NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004617692	1	41	-1.0	-33.83	300.95	4.80	-29.03
CCC(CC)(NC(=O)CCNC(C)=O)C1=N[N-]N=N1	REAL250004617693	0	38	-1.0	-42.20	300.99	0.46	-41.74
CCC(CC)(NC(=O)CCNC(C)=O)C1=NN=N[N-]1	REAL250004617693	1	38	-1.0	-42.19	301.06	0.47	-41.72
CCC(CC)(NC(=O)CCC(C)C)C1=N[N-]N=N1	REAL250004617694	0	40	-1.0	-34.22	301.05	4.19	-30.03
CCC(CC)(NC(=O)CCC(C)C)C1=NN=N[N-]1	REAL250004617694	1	40	-1.0	-34.21	301.11	4.20	-30.01
CCC(CC)(NC(=O)C1CCCO1)C1=N[N-]N=N1	REAL250004617695	0	36	-1.0	-36.45	275.19	2.66	-33.79
CCC(CC)(NC(=O)C1CCCO1)C1=NN=N[N-]1	REAL250004617695	1	36	-1.0	-36.42	275.26	2.66	-33.76
CCC(CC)(NC(=O)CN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL250004617696	0	37	-1.0	-43.07	300.08	-0.24	-43.31
CCC(CC)(NC(=O)CN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL250004617696	1	37	-1.0	-43.08	300.14	-0.24	-43.32
CCC(CC)(NC(=O)C1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004617697	0	39	-1.0	-37.66	308.66	1.77	-35.89
CCC(CC)(NC(=O)C1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004617697	1	39	-1.0	-37.67	308.73	1.79	-35.88
CCC(CC)(NC(=O)C=CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004617698	0	42	-1.0	-36.03	327.93	6.17	-29.86
CCC(CC)(NC(=O)C=CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004617698	1	42	-1.0	-35.98	327.99	6.18	-29.80
CCC(CC)(NC(=O)C=CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004617699	0	42	-1.0	-35.89	331.79	6.30	-29.59
CCC(CC)(NC(=O)C=CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004617699	1	42	-1.0	-35.90	331.86	6.32	-29.58
CCC(CC)(NC(=O)CN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004617700	0	38	-1.0	-43.27	306.18	2.17	-41.10
CCC(CC)(NC(=O)CN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004617700	1	38	-1.0	-43.22	306.25	2.19	-41.03
CCC(CC)(NC(=O)C1=C(C)N(C)C(C)=C1)C1=N[N-]N=N1	REAL250004617701	0	42	-1.0	-39.99	321.11	5.01	-34.98
CCC(CC)(NC(=O)C1=C(C)N(C)C(C)=C1)C1=NN=N[N-]1	REAL250004617701	1	42	-1.0	-39.98	321.18	5.03	-34.95
CCC(CC)(NC(=O)CC1=CSC(C)=N1)C1=N[N-]N=N1	REAL250004617702	0	37	-1.0	-38.62	305.93	2.98	-35.64
CCC(CC)(NC(=O)CC1=CSC(C)=N1)C1=NN=N[N-]1	REAL250004617702	1	37	-1.0	-38.63	305.99	3.00	-35.63
CCC(CC)(NC(=O)CCSC)C1=N[N-]N=N1	REAL250004617703	0	35	-1.0	-34.02	285.22	3.37	-30.65
CCC(CC)(NC(=O)CCSC)C1=NN=N[N-]1	REAL250004617703	1	35	-1.0	-34.00	285.28	3.39	-30.61
CCC(CC)(NC(=O)CSC(C)(C)C)C1=N[N-]N=N1	REAL250004617704	0	41	-1.0	-35.04	319.88	4.56	-30.48
CCC(CC)(NC(=O)CSC(C)(C)C)C1=NN=N[N-]1	REAL250004617704	1	41	-1.0	-35.05	319.95	4.57	-30.48
CCC(CC)(NC(=O)C1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004617705	0	37	-1.0	-35.87	299.07	1.57	-34.30
CCC(CC)(NC(=O)C1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004617705	1	37	-1.0	-35.89	299.13	1.58	-34.31
CCC(CC)(NC(=O)C1=CC=[N+]([O-])C=C1)C1=N[N-]N=N1	REAL250004617706	0	35	-1.0	-41.10	283.27	3.07	-38.03
CCC(CC)(NC(=O)C1=CC=[N+]([O-])C=C1)C1=NN=N[N-]1	REAL250004617706	1	35	-1.0	-41.04	283.34	3.08	-37.96
CCC(CC)(NC(=O)CCC1CCCCC1)C1=N[N-]N=N1	REAL250004617707	0	47	-1.0	-34.10	342.67	6.09	-28.01
CCC(CC)(NC(=O)CCC1CCCCC1)C1=NN=N[N-]1	REAL250004617707	1	47	-1.0	-34.11	342.74	6.10	-28.01
CCC(CC)(NC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004617708	0	32	-1.0	-33.16	284.21	4.18	-28.98
CCC(CC)(NC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004617708	1	32	-1.0	-33.19	284.28	4.19	-29.00
CCC(CC)(NC(=O)C1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004617709	0	35	-1.0	-36.62	281.20	3.39	-33.23
CCC(CC)(NC(=O)C1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004617709	1	35	-1.0	-36.60	281.26	3.39	-33.21
CCC(CC)(NC(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004617710	0	36	-1.0	-36.44	296.70	4.83	-31.61
CCC(CC)(NC(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004617710	1	36	-1.0	-36.39	296.76	4.85	-31.54
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004617711	0	38	-1.0	-35.88	306.13	5.30	-30.58
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004617711	1	38	-1.0	-35.97	306.19	5.31	-30.66
CCC(CC)(NC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL250004617712	0	44	-1.0	-34.20	320.34	5.38	-28.82
CCC(CC)(NC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL250004617712	1	44	-1.0	-34.19	320.40	5.40	-28.79
CCC(CC)(NC(=O)C(C)NC(C)=O)C1=N[N-]N=N1	REAL250004617713	0	38	-1.0	-36.55	298.70	0.66	-35.89
CCC(CC)(NC(=O)C(C)NC(C)=O)C1=NN=N[N-]1	REAL250004617713	1	38	-1.0	-36.58	298.77	0.67	-35.91
CCC(CC)(NC(=O)C(C)NC(N)=O)C1=N[N-]N=N1	REAL250004617714	0	37	-1.0	-37.09	291.64	-2.13	-39.22
CCC(CC)(NC(=O)C(C)NC(N)=O)C1=NN=N[N-]1	REAL250004617714	1	37	-1.0	-36.99	291.71	-2.11	-39.10
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004617715	0	38	-1.0	-37.96	307.08	4.85	-33.11
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004617715	1	38	-1.0	-37.99	307.14	4.87	-33.12
CCC(CC)(NC(=O)C1=NNC(=O)C=C1)C1=N[N-]N=N1	REAL250004617716	0	34	-1.0	-35.54	276.93	0.06	-35.48
CCC(CC)(NC(=O)C1=NNC(=O)C=C1)C1=NN=N[N-]1	REAL250004617716	1	34	-1.0	-35.54	277.00	0.06	-35.48
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004617717	0	38	-1.0	-35.52	306.90	5.19	-30.33
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004617717	1	38	-1.0	-35.52	306.97	5.20	-30.32
CCC(CC)(NC(=O)CCC(C)=O)C1=N[N-]N=N1	REAL250004617718	0	36	-1.0	-36.78	285.07	2.80	-33.98
CCC(CC)(NC(=O)CCC(C)=O)C1=NN=N[N-]1	REAL250004617718	1	36	-1.0	-36.76	285.14	2.82	-33.94
CCC(CC)(NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004617719	0	32	-1.0	-35.46	268.00	3.44	-32.02
CCC(CC)(NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004617719	1	32	-1.0	-35.51	268.06	3.45	-32.06
CCC(CC)(NC(=O)C1=CN=C(C)C=N1)C1=N[N-]N=N1	REAL250004617720	0	36	-1.0	-37.28	288.71	1.57	-35.71
CCC(CC)(NC(=O)C1=CN=C(C)C=N1)C1=NN=N[N-]1	REAL250004617720	1	36	-1.0	-37.24	288.77	1.58	-35.66
CCC(CC)(NC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004617721	0	35	-1.0	-34.43	286.01	4.70	-29.73
CCC(CC)(NC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004617721	1	35	-1.0	-34.45	286.07	4.70	-29.75
CCC(CC)(NC(=O)CC1=CSC=C1)C1=N[N-]N=N1	REAL250004617722	0	35	-1.0	-35.07	290.48	4.05	-31.02
CCC(CC)(NC(=O)CC1=CSC=C1)C1=NN=N[N-]1	REAL250004617722	1	35	-1.0	-35.14	290.54	4.07	-31.07
CCC(CC)(NC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004617723	0	38	-1.0	-35.87	297.24	5.11	-30.76
CCC(CC)(NC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004617723	1	38	-1.0	-35.85	297.30	5.12	-30.73
CCC(CC)(NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004617724	0	39	-1.0	-36.91	309.41	4.86	-32.05
CCC(CC)(NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004617724	1	39	-1.0	-36.88	309.48	4.87	-32.01
CCC(CC)(NC(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL250004617725	0	39	-1.0	-39.44	303.18	4.83	-34.61
CCC(CC)(NC(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL250004617725	1	39	-1.0	-39.51	303.25	4.84	-34.67
CCC(CC)(NC(=O)CNC(C)=O)C1=N[N-]N=N1	REAL250004617726	0	35	-1.0	-36.81	278.86	-0.18	-36.99
CCC(CC)(NC(=O)CNC(C)=O)C1=NN=N[N-]1	REAL250004617726	1	35	-1.0	-36.82	278.92	-0.16	-36.98
CCC(CC)(NC(=O)C1=C(C)C=CS1)C1=N[N-]N=N1	REAL250004617727	0	35	-1.0	-35.62	284.90	4.12	-31.50
CCC(CC)(NC(=O)C1=C(C)C=CS1)C1=NN=N[N-]1	REAL250004617727	1	35	-1.0	-35.60	284.97	4.13	-31.47
CCC(CC)(NC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL250004617728	0	35	-1.0	-35.52	289.00	4.35	-31.17
CCC(CC)(NC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL250004617728	1	35	-1.0	-35.49	289.07	4.35	-31.14
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004617729	0	35	-1.0	-34.19	291.79	5.07	-29.12
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004617729	1	35	-1.0	-34.23	291.86	5.07	-29.16
CCC(CC)(NC(=O)C=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004617730	0	36	-1.0	-37.43	293.01	3.83	-33.60
CCC(CC)(NC(=O)C=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004617730	1	36	-1.0	-37.44	293.08	3.85	-33.59
CCC(CC)(NC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL250004617731	0	39	-1.0	-35.61	305.24	3.74	-31.87
CCC(CC)(NC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL250004617731	1	39	-1.0	-35.60	305.30	3.76	-31.84
CCC(CC)(NC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004617732	0	35	-1.0	-38.28	280.42	4.51	-33.77
CCC(CC)(NC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004617732	1	35	-1.0	-38.28	280.48	4.52	-33.76
CCC(CC)(NC(=O)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004617733	0	36	-1.0	-38.66	282.01	0.15	-38.51
CCC(CC)(NC(=O)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004617733	1	36	-1.0	-38.71	282.07	0.15	-38.56
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL250004617734	0	41	-1.0	-35.57	318.74	5.88	-29.69
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL250004617734	1	41	-1.0	-35.55	318.81	5.90	-29.65
CCC(CC)(NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004617735	0	38	-1.0	-35.80	302.17	3.26	-32.54
CCC(CC)(NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004617735	1	38	-1.0	-35.82	302.11	3.26	-32.56
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL250004617736	0	39	-1.0	-37.07	305.34	3.74	-33.33
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL250004617736	1	39	-1.0	-37.09	305.40	3.75	-33.34
CCC(CC)(NC(=O)C1=CC=C[N+]([O-])=C1)C1=N[N-]N=N1	REAL250004617737	0	35	-1.0	-44.34	282.33	3.17	-41.17
CCC(CC)(NC(=O)C1=CC=C[N+]([O-])=C1)C1=NN=N[N-]1	REAL250004617737	1	35	-1.0	-44.33	282.40	3.17	-41.16
CCC(CC)(NC(=O)C1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL250004617738	0	41	-1.0	-35.67	313.34	5.78	-29.89
CCC(CC)(NC(=O)C1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL250004617738	1	41	-1.0	-35.68	313.41	5.79	-29.89
CCC(CC)(NC(=O)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004617739	0	34	-1.0	-34.39	287.77	3.09	-31.30
CCC(CC)(NC(=O)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004617739	1	34	-1.0	-34.33	287.71	3.08	-31.25
CCC(CC)(NC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004617740	0	36	-1.0	-35.07	296.66	4.84	-30.23
CCC(CC)(NC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004617740	1	36	-1.0	-35.07	296.73	4.85	-30.22
CCC(CC)(NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL250004617741	0	38	-1.0	-33.99	282.04	4.12	-29.87
CCC(CC)(NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL250004617741	1	38	-1.0	-34.00	282.10	4.12	-29.88
CCC(CC)(NC(=O)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL250004617742	0	38	-1.0	-35.75	292.00	5.12	-30.63
CCC(CC)(NC(=O)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL250004617742	1	38	-1.0	-35.73	291.93	5.10	-30.63
CCC(CC)(NC(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL250004617743	0	41	-1.0	-35.54	312.54	5.90	-29.64
CCC(CC)(NC(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL250004617743	1	41	-1.0	-35.50	312.59	5.90	-29.60
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL250004617744	0	41	-1.0	-35.86	317.87	5.89	-29.97
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL250004617744	1	41	-1.0	-35.86	317.94	5.90	-29.96
CCC(CC)(NC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL250004617745	0	44	-1.0	-34.20	326.18	5.52	-28.68
CCC(CC)(NC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL250004617745	1	44	-1.0	-34.17	326.25	5.53	-28.64
CCC(CC)(NC(=O)C1=CC=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004617746	0	34	-1.0	-39.49	290.01	3.16	-36.33
CCC(CC)(NC(=O)C1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004617746	1	34	-1.0	-39.50	289.94	3.15	-36.35
CCC(CC)(NC(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004617747	0	34	-1.0	-34.23	270.33	2.80	-31.43
CCC(CC)(NC(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004617747	1	34	-1.0	-34.28	270.27	2.80	-31.48
CCC(CC)(NC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004617748	0	35	-1.0	-33.63	282.23	4.50	-29.13
CCC(CC)(NC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004617748	1	35	-1.0	-33.67	282.30	4.51	-29.16
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004617749	0	35	-1.0	-33.47	292.56	4.95	-28.52
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004617749	1	35	-1.0	-33.47	292.62	4.97	-28.50
CCC(CC)(NC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004617750	0	34	-1.0	-36.48	270.91	2.68	-33.80
CCC(CC)(NC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004617750	1	34	-1.0	-36.48	270.85	2.67	-33.81
CCC(CC)(NC(=O)CC1=CC=CS1)C1=N[N-]N=N1	REAL250004617751	0	35	-1.0	-35.27	290.72	4.23	-31.04
CCC(CC)(NC(=O)CC1=CC=CS1)C1=NN=N[N-]1	REAL250004617751	1	35	-1.0	-35.27	290.79	4.25	-31.02
CCC(CC)(NC(=O)CC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004617752	0	40	-1.0	-37.73	317.63	3.89	-33.84
CCC(CC)(NC(=O)CC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004617752	1	40	-1.0	-37.73	317.69	3.90	-33.83
CCC(CC)(NC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004617753	0	35	-1.0	-34.09	287.75	4.68	-29.41
CCC(CC)(NC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004617753	1	35	-1.0	-34.11	287.81	4.69	-29.42
CCC(CC)(NC(=O)C1CCOCC1)C1=N[N-]N=N1	REAL250004617754	0	39	-1.0	-34.75	292.77	2.27	-32.48
CCC(CC)(NC(=O)C1CCOCC1)C1=NN=N[N-]1	REAL250004617754	1	39	-1.0	-34.81	292.84	2.29	-32.52
CCC(CC)(NC(=O)CCC1=CSC=C1)C1=N[N-]N=N1	REAL250004617755	0	38	-1.0	-34.43	311.88	4.85	-29.58
CCC(CC)(NC(=O)CCC1=CSC=C1)C1=NN=N[N-]1	REAL250004617755	1	38	-1.0	-34.42	311.94	4.87	-29.55
CCC(CC)(NC(=O)CC1C=CCC1)C1=N[N-]N=N1	REAL250004617756	0	39	-1.0	-34.92	295.83	4.66	-30.26
CCC(CC)(NC(=O)CC1C=CCC1)C1=NN=N[N-]1	REAL250004617756	1	39	-1.0	-34.92	295.89	4.68	-30.24
CCC(CC)(NC(=O)C1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL250004617757	0	38	-1.0	-35.08	305.13	5.07	-30.01
CCC(CC)(NC(=O)C1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL250004617757	1	38	-1.0	-35.12	305.19	5.08	-30.04
CCC(CC)(NC(=O)C1=C(C)OC=C1)C1=N[N-]N=N1	REAL250004617758	0	35	-1.0	-35.89	276.73	3.34	-32.55
CCC(CC)(NC(=O)C1=C(C)OC=C1)C1=NN=N[N-]1	REAL250004617758	1	35	-1.0	-35.88	276.80	3.33	-32.55
CCC(CC)(NC(=O)CCCCNC(N)=O)C1=N[N-]N=N1	REAL250004617759	0	43	-1.0	-43.02	337.21	-0.76	-43.78
CCC(CC)(NC(=O)CCCCNC(N)=O)C1=NN=N[N-]1	REAL250004617759	1	43	-1.0	-42.97	337.28	-0.74	-43.71
CCC(CC)(NC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004617760	0	32	-1.0	-35.43	267.19	3.37	-32.06
CCC(CC)(NC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004617760	1	32	-1.0	-35.41	267.26	3.38	-32.03
CCC(CC)(NC(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004617761	0	35	-1.0	-36.55	286.02	4.70	-31.85
CCC(CC)(NC(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004617761	1	35	-1.0	-36.60	286.09	4.70	-31.90
CCC(CC)(NC(=O)CCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004617762	0	40	-1.0	-36.40	316.73	4.14	-32.26
CCC(CC)(NC(=O)CCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004617762	1	40	-1.0	-36.44	316.79	4.16	-32.28
CCC(CC)(NC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004617763	0	44	-1.0	-36.06	337.89	1.86	-34.20
CCC(CC)(NC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004617763	1	44	-1.0	-36.04	337.95	1.88	-34.16
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004617764	0	39	-1.0	-35.24	309.67	4.40	-30.84
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004617764	1	39	-1.0	-35.28	309.61	4.39	-30.89
CCC(CC)(NC(=O)CN1CCCC1=O)C1=N[N-]N=N1	REAL250004617765	0	39	-1.0	-42.01	305.51	2.79	-39.22
CCC(CC)(NC(=O)CN1CCCC1=O)C1=NN=N[N-]1	REAL250004617765	1	39	-1.0	-42.04	305.58	2.80	-39.24
CCC(CC)(NC(=O)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL250004617766	0	41	-1.0	-35.85	321.90	5.79	-30.06
CCC(CC)(NC(=O)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL250004617766	1	41	-1.0	-35.84	321.97	5.81	-30.03
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)SN=N1	REAL250004617767	0	36	-1.0	-31.92	296.77	2.47	-29.45
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)SN=N1	REAL250004617767	1	36	-1.0	-31.90	296.83	2.48	-29.42
CCC(CC)(NC(=O)C1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004617768	0	38	-1.0	-44.60	306.38	4.93	-39.67
CCC(CC)(NC(=O)C1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004617768	1	38	-1.0	-44.60	306.31	4.91	-39.69
CCC(CC)(NC(=O)C1=CC=C(C)C(F)=C1)C1=N[N-]N=N1	REAL250004617769	0	38	-1.0	-34.49	301.75	5.27	-29.22
CCC(CC)(NC(=O)C1=CC=C(C)C(F)=C1)C1=NN=N[N-]1	REAL250004617769	1	38	-1.0	-34.51	301.82	5.27	-29.24
CCC(CC)(NC(=O)CN1CCSC1=O)C1=N[N-]N=N1	REAL250004617770	0	37	-1.0	-42.86	304.37	2.46	-40.40
CCC(CC)(NC(=O)CN1CCSC1=O)C1=NN=N[N-]1	REAL250004617770	1	37	-1.0	-42.88	304.44	2.47	-40.41
CCC(CC)(NC(=O)CCCC(C)=O)C1=N[N-]N=N1	REAL250004617771	0	39	-1.0	-41.77	306.68	3.60	-38.17
CCC(CC)(NC(=O)CCCC(C)=O)C1=NN=N[N-]1	REAL250004617771	1	39	-1.0	-41.73	306.75	3.61	-38.12
CCC(CC)(NC(=O)COC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004617772	0	38	-1.0	-38.41	309.24	1.81	-36.60
CCC(CC)(NC(=O)COC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004617772	1	38	-1.0	-38.40	309.31	1.83	-36.57
CCC(CC)(NC(=O)CC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL250004617773	0	41	-1.0	-38.09	320.26	2.78	-35.31
CCC(CC)(NC(=O)CC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL250004617773	1	41	-1.0	-38.06	320.20	2.77	-35.29
CCC(CC)(NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL250004617774	0	33	-1.0	-44.44	269.36	1.69	-42.75
CCC(CC)(NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL250004617774	1	33	-1.0	-44.44	269.30	1.68	-42.76
CCC(CC)(NC(=O)C1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004617775	0	34	-1.0	-34.99	275.73	2.59	-32.40
CCC(CC)(NC(=O)C1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004617775	1	34	-1.0	-35.02	275.79	2.59	-32.43
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL250004617776	0	38	-1.0	-35.26	310.51	5.14	-30.12
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL250004617776	1	38	-1.0	-35.28	310.57	5.14	-30.14
CCC(CC)(NC(=O)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL250004617777	0	37	-1.0	-34.54	296.50	3.32	-31.22
CCC(CC)(NC(=O)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL250004617777	1	37	-1.0	-34.53	296.56	3.33	-31.20
CCC(CC)(NC(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004617778	0	35	-1.0	-38.26	280.96	2.20	-36.06
CCC(CC)(NC(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004617778	1	35	-1.0	-38.20	280.90	2.19	-36.01
CCC(CC)(NC(=O)CCNC(N)=O)C1=N[N-]N=N1	REAL250004617779	0	37	-1.0	-42.73	294.21	-2.34	-45.07
CCC(CC)(NC(=O)CCNC(N)=O)C1=NN=N[N-]1	REAL250004617779	1	37	-1.0	-42.75	294.28	-2.33	-45.08
CCC(CC)(NC(=O)CN1CSCC1=O)C1=N[N-]N=N1	REAL250004617780	0	37	-1.0	-40.04	304.78	2.49	-37.55
CCC(CC)(NC(=O)CN1CSCC1=O)C1=NN=N[N-]1	REAL250004617780	1	37	-1.0	-40.10	304.84	2.50	-37.60
CCC(CC)(NC(=O)C1=C(C)N=NS1)C1=N[N-]N=N1	REAL250004617781	0	33	-1.0	-32.31	276.08	1.63	-30.68
CCC(CC)(NC(=O)C1=C(C)N=NS1)C1=NN=N[N-]1	REAL250004617781	1	33	-1.0	-32.28	276.14	1.64	-30.64
CCC(CC)(NC(=O)C=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004617782	0	39	-1.0	-40.59	314.07	3.48	-37.11
CCC(CC)(NC(=O)C=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004617782	1	39	-1.0	-40.56	314.14	3.49	-37.07
CCC(CC)(NC(=O)C1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004617783	0	34	-1.0	-32.95	287.19	3.22	-29.73
CCC(CC)(NC(=O)C1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004617783	1	34	-1.0	-32.98	287.12	3.22	-29.76
CCC(CC)(NC(=O)C1=CC=C(OC)N=C1)C1=NN=N[N-]1	REAL250004617784	0	38	-1.0	-34.96	303.03	1.18	-33.78
CCC(CC)(NC(=O)C1=CC=C(OC)N=C1)C1=N[N-]N=N1	REAL250004617784	1	38	-1.0	-34.95	302.97	1.17	-33.78
CCC(CC)(NC(=O)C1=CC=C(C)N1C)C1=N[N-]N=N1	REAL250004617785	0	39	-1.0	-36.55	300.48	4.49	-32.06
CCC(CC)(NC(=O)C1=CC=C(C)N1C)C1=NN=N[N-]1	REAL250004617785	1	39	-1.0	-36.54	300.54	4.50	-32.04
CCC(CC)(NC(=O)C1=C(C)C=CO1)C1=N[N-]N=N1	REAL250004617786	0	35	-1.0	-37.12	277.97	3.13	-33.99
CCC(CC)(NC(=O)C1=C(C)C=CO1)C1=NN=N[N-]1	REAL250004617786	1	35	-1.0	-37.09	278.04	3.14	-33.95
CCC(CC)(NC(=O)C1=NN(C)C(=O)CC1)C1=N[N-]N=N1	REAL250004617787	0	39	-1.0	-36.23	308.25	1.62	-34.61
CCC(CC)(NC(=O)C1=NN(C)C(=O)CC1)C1=NN=N[N-]1	REAL250004617787	1	39	-1.0	-36.25	308.31	1.64	-34.61
CCC(CC)(NC(=O)C1CC=CCC1)C1=N[N-]N=N1	REAL250004617788	0	39	-1.0	-33.99	294.04	4.58	-29.41
CCC(CC)(NC(=O)C1CC=CCC1)C1=NN=N[N-]1	REAL250004617788	1	39	-1.0	-33.99	294.10	4.59	-29.40
CCC(CC)(NC(=O)CCC1=CC=CO1)C1=N[N-]N=N1	REAL250004617789	0	38	-1.0	-35.77	302.64	4.04	-31.73
CCC(CC)(NC(=O)CCC1=CC=CO1)C1=NN=N[N-]1	REAL250004617789	1	38	-1.0	-35.83	302.71	4.05	-31.78
CCC(CC)(NC(=O)C1=CC(Cl)=CN1)C1=N[N-]N=N1	REAL250004617790	0	33	-1.0	-34.23	279.23	2.87	-31.36
CCC(CC)(NC(=O)C1=CC(Cl)=CN1)C1=NN=N[N-]1	REAL250004617790	1	33	-1.0	-34.24	279.30	2.87	-31.37
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=N[N-]N=N1	REAL250004617791	0	35	-1.0	-36.28	292.35	3.08	-33.20
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=NN=N[N-]1	REAL250004617791	1	35	-1.0	-36.36	292.41	3.09	-33.27
CCC(CC)(NC(=O)C1=C(C)OC(C)=C1C)C1=N[N-]N=N1	REAL250004617792	0	41	-1.0	-36.85	320.63	4.61	-32.24
CCC(CC)(NC(=O)C1=C(C)OC(C)=C1C)C1=NN=N[N-]1	REAL250004617792	1	41	-1.0	-36.88	320.70	4.62	-32.26
CCC(CC)(NC(=O)C1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL250004617793	0	41	-1.0	-35.64	307.96	5.76	-29.88
CCC(CC)(NC(=O)C1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL250004617793	1	41	-1.0	-35.63	308.03	5.77	-29.86
CCC(CC)(NC(=O)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004617794	0	33	-1.0	-37.77	267.93	0.87	-36.90
CCC(CC)(NC(=O)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004617794	1	33	-1.0	-37.74	267.86	0.86	-36.88
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL250004617795	0	41	-1.0	-36.07	313.43	5.76	-30.31
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL250004617795	1	41	-1.0	-36.07	313.50	5.77	-30.30
CCC(CC)(NC(=O)CC1CC2CCC1C2)C1=N[N-]N=N1	REAL250004617796	0	45	-1.0	-34.53	325.34	5.70	-28.83
CCC(CC)(NC(=O)CC1CC2CCC1C2)C1=NN=N[N-]1	REAL250004617796	1	45	-1.0	-34.50	325.40	5.72	-28.78
CCC(CC)(NC(=O)C1=CC=C(COC)O1)C1=N[N-]N=N1	REAL250004617797	0	39	-1.0	-37.76	314.86	2.45	-35.31
CCC(CC)(NC(=O)C1=CC=C(COC)O1)C1=NN=N[N-]1	REAL250004617797	1	39	-1.0	-37.77	314.92	2.45	-35.32
CCC(CC)(NC(=O)C1=CC(Cl)=CN1C)C1=N[N-]N=N1	REAL250004617798	0	36	-1.0	-35.39	297.11	4.51	-30.88
CCC(CC)(NC(=O)C1=CC(Cl)=CN1C)C1=NN=N[N-]1	REAL250004617798	1	36	-1.0	-35.41	297.18	4.51	-30.90
CCC(CC)(NC(=O)CN1C=CC=N1)C1=NN=N[N-]1	REAL250004617799	0	35	-1.0	-39.98	280.77	2.57	-37.41
CCC(CC)(NC(=O)CN1C=CC=N1)C1=N[N-]N=N1	REAL250004617799	1	35	-1.0	-39.95	280.71	2.56	-37.39
CCC(CC)(NC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004617800	0	35	-1.0	-32.48	287.89	4.70	-27.78
CCC(CC)(NC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004617800	1	35	-1.0	-32.49	287.95	4.70	-27.79
CCC(CC)(NC(=O)C1=CC(C(C)=O)=CN1)C1=N[N-]N=N1	REAL250004617801	0	38	-1.0	-42.55	306.04	2.83	-39.72
CCC(CC)(NC(=O)C1=CC(C(C)=O)=CN1)C1=NN=N[N-]1	REAL250004617801	1	38	-1.0	-42.55	306.11	2.83	-39.72
CCC(CC)(NC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL250004617802	0	41	-1.0	-34.31	303.68	4.75	-29.56
CCC(CC)(NC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL250004617802	1	41	-1.0	-34.35	303.75	4.76	-29.59
CCC(CC)(NC(=O)C1=C(C)OC(C)=C1)C1=N[N-]N=N1	REAL250004617803	0	38	-1.0	-35.97	299.43	4.04	-31.93
CCC(CC)(NC(=O)C1=C(C)OC(C)=C1)C1=NN=N[N-]1	REAL250004617803	1	38	-1.0	-35.97	299.50	4.05	-31.92
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL250004617804	0	41	-1.0	-38.74	320.70	3.09	-35.65
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL250004617804	1	41	-1.0	-38.76	320.77	3.11	-35.65
CCOC(=O)NCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617805	0	39	-1.0	-35.46	311.84	0.15	-35.31
CCOC(=O)NCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617805	1	39	-1.0	-35.47	311.91	0.17	-35.30
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)O1	REAL250004617806	0	38	-1.0	-36.47	302.68	4.17	-32.30
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)O1	REAL250004617806	1	38	-1.0	-36.48	302.74	4.17	-32.31
CCC(CC)(NC(=O)C1=CC=C(Cl)O1)C1=N[N-]N=N1	REAL250004617807	0	32	-1.0	-34.65	277.13	3.06	-31.59
CCC(CC)(NC(=O)C1=CC=C(Cl)O1)C1=NN=N[N-]1	REAL250004617807	1	32	-1.0	-34.70	277.20	3.07	-31.63
CCOC(=O)NCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617808	0	42	-1.0	-39.71	333.98	0.78	-38.93
CCOC(=O)NCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617808	1	42	-1.0	-39.69	334.04	0.79	-38.90
CCC(CC)(NC(=O)C1CC2CCC1C2)C1=N[N-]N=N1	REAL250004617809	0	42	-1.0	-34.44	305.14	4.92	-29.52
CCC(CC)(NC(=O)C1CC2CCC1C2)C1=NN=N[N-]1	REAL250004617809	1	42	-1.0	-34.41	305.21	4.94	-29.47
CCCC1=NNC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004617810	0	41	-1.0	-33.63	321.75	3.13	-30.50
CCCC1=NNC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004617810	1	41	-1.0	-33.62	321.81	3.14	-30.48
CCC(CC)(NC(=O)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004617811	0	37	-1.0	-36.52	295.37	3.35	-33.17
CCC(CC)(NC(=O)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004617811	1	37	-1.0	-36.57	295.44	3.36	-33.21
CCC(CC)(NC(=O)C1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL250004617812	0	37	-1.0	-36.56	292.45	3.28	-33.28
CCC(CC)(NC(=O)C1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL250004617812	1	37	-1.0	-36.52	292.52	3.29	-33.23
CCC(CC)(NC(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004617813	0	36	-1.0	-36.79	281.19	3.89	-32.90
CCC(CC)(NC(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004617813	1	36	-1.0	-36.76	281.12	3.88	-32.88
CCC(CC)(NC(=O)C1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004617814	0	38	-1.0	-37.51	308.14	4.10	-33.41
CCC(CC)(NC(=O)C1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004617814	1	38	-1.0	-37.50	308.21	4.11	-33.39
CCC(CC)(NC(=O)CCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL250004617815	0	39	-1.0	-36.58	313.47	1.52	-35.06
CCC(CC)(NC(=O)CCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL250004617815	1	39	-1.0	-36.55	313.53	1.53	-35.02
CCC(CC)(NC(=O)C1=CC(C)=C(C)S1)C1=N[N-]N=N1	REAL250004617816	0	38	-1.0	-35.96	309.47	4.84	-31.12
CCC(CC)(NC(=O)C1=CC(C)=C(C)S1)C1=NN=N[N-]1	REAL250004617816	1	38	-1.0	-35.93	309.53	4.86	-31.07
CCC(CC)(NC(=O)C1=CC=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004617817	0	38	-1.0	-47.50	302.59	3.25	-44.25
CCC(CC)(NC(=O)C1=CC=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004617817	1	38	-1.0	-47.54	302.52	3.24	-44.30
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004617818	0	38	-1.0	-38.38	296.44	2.67	-35.71
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004617818	1	38	-1.0	-38.40	296.51	2.68	-35.72
CCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617819	0	40	-1.0	-34.23	304.98	4.46	-29.77
CCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617819	1	40	-1.0	-34.24	305.04	4.48	-29.76
CCC(CC)(NC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004617820	0	40	-1.0	-33.70	293.68	4.02	-29.68
CCC(CC)(NC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004617820	1	40	-1.0	-33.66	293.74	4.04	-29.62
CCC(CC)(NC(=O)C1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004617821	0	32	-1.0	-34.13	283.23	4.04	-30.09
CCC(CC)(NC(=O)C1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004617821	1	32	-1.0	-34.14	283.29	4.05	-30.09
CCC(CC)(NC(=O)C1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL250004617822	0	37	-1.0	-35.01	301.17	3.03	-31.98
CCC(CC)(NC(=O)C1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL250004617822	1	37	-1.0	-35.07	301.23	3.04	-32.03
CCC(CC)(NC(=O)CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004617823	0	37	-1.0	-37.95	297.70	4.54	-33.41
CCC(CC)(NC(=O)CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004617823	1	37	-1.0	-37.95	297.63	4.53	-33.42
CCC(CC)(NC(=O)CNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004617824	0	39	-1.0	-36.48	309.97	1.40	-35.08
CCC(CC)(NC(=O)CNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004617824	1	39	-1.0	-36.44	310.03	1.41	-35.03
CCC(CC)(NC(=O)C1=CC=CN=C1OC)C1=NN=N[N-]1	REAL250004617825	0	38	-1.0	-38.57	300.94	2.27	-36.30
CCC(CC)(NC(=O)C1=CC=CN=C1OC)C1=N[N-]N=N1	REAL250004617825	1	38	-1.0	-38.58	300.88	2.25	-36.33
CCCCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617826	0	41	-1.0	-35.03	328.01	5.03	-30.00
CCCCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617826	1	41	-1.0	-35.05	328.07	5.05	-30.00
CCCCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617827	0	49	-1.0	-34.28	369.47	6.81	-27.47
CCCCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617827	1	49	-1.0	-34.27	369.54	6.82	-27.45
CCCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617828	0	46	-1.0	-34.28	347.98	6.03	-28.25
CCCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617828	1	46	-1.0	-34.31	348.04	6.04	-28.27
CCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617829	0	43	-1.0	-34.34	326.48	5.24	-29.10
CCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617829	1	43	-1.0	-34.31	326.54	5.26	-29.05
CCC(CC)(NC(=O)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004617830	0	38	-1.0	-36.79	302.95	3.11	-33.68
CCC(CC)(NC(=O)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004617830	1	38	-1.0	-36.78	302.88	3.09	-33.69
CCC(CC)(NC(=O)C1=CC=CNC1=O)C1=N[N-]N=N1	REAL250004617831	0	35	-1.0	-53.28	278.06	1.67	-51.61
CCC(CC)(NC(=O)C1=CC=CNC1=O)C1=NN=N[N-]1	REAL250004617831	1	35	-1.0	-53.22	278.13	1.68	-51.54
CCC(CC)(NC(=O)CSC(C)C)C1=N[N-]N=N1	REAL250004617832	0	38	-1.0	-35.16	303.29	4.09	-31.07
CCC(CC)(NC(=O)CSC(C)C)C1=NN=N[N-]1	REAL250004617832	1	38	-1.0	-35.14	303.35	4.10	-31.04
CCC(CC)(NC(=O)C1=CC=CC(C)=N1)C1=N[N-]N=N1	REAL250004617833	0	37	-1.0	-39.65	294.68	3.33	-36.32
CCC(CC)(NC(=O)C1=CC=CC(C)=N1)C1=NN=N[N-]1	REAL250004617833	1	37	-1.0	-39.64	294.75	3.34	-36.30
CCC(CC)(NC(=O)C1=CC=CC2=NNC=C21)C1=NN=N[N-]1	REAL250004617834	0	38	-1.0	-36.84	300.83	3.12	-33.72
CCC(CC)(NC(=O)C1=CC=CC2=NNC=C21)C1=N[N-]N=N1	REAL250004617834	1	38	-1.0	-36.88	300.77	3.10	-33.78
CCC(CC)(NC(=O)C1=CC=CC=C1O)C1=NN=N[N-]1	REAL250004617835	0	36	-1.0	-37.75	284.77	2.82	-34.93
CCC(CC)(NC(=O)C1=CC=CC=C1O)C1=N[N-]N=N1	REAL250004617835	1	36	-1.0	-37.73	284.70	2.81	-34.92
CCC(CC)(NC(=O)C1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004617836	0	38	-1.0	-41.31	301.18	3.27	-38.04
CCC(CC)(NC(=O)C1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004617836	1	38	-1.0	-41.31	301.12	3.27	-38.04
CCC(CC)(NC(=O)C1=CC=CC(C)=C1O)C1=N[N-]N=N1	REAL250004617837	0	39	-1.0	-37.40	303.98	3.64	-33.76
CCC(CC)(NC(=O)C1=CC=CC(C)=C1O)C1=NN=N[N-]1	REAL250004617837	1	39	-1.0	-37.42	304.04	3.65	-33.77
CCC(CC)(NC(=O)C1=CC(C2CC2)=NN1)C1=N[N-]N=N1	REAL250004617838	0	39	-1.0	-33.79	308.72	3.12	-30.67
CCC(CC)(NC(=O)C1=CC(C2CC2)=NN1)C1=NN=N[N-]1	REAL250004617838	1	39	-1.0	-33.80	308.79	3.13	-30.67
CCC(CC)(NC(=O)C1=CC(C)=CC=C1O)C1=N[N-]N=N1	REAL250004617839	0	39	-1.0	-37.44	305.30	3.60	-33.84
CCC(CC)(NC(=O)C1=CC(C)=CC=C1O)C1=NN=N[N-]1	REAL250004617839	1	39	-1.0	-37.42	305.36	3.61	-33.81
CCC(CC)(NC(=O)C1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL250004617840	0	39	-1.0	-36.70	306.92	2.33	-34.37
CCC(CC)(NC(=O)C1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL250004617840	1	39	-1.0	-36.70	306.99	2.35	-34.35
CCC(CC)(NC(=O)C1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004617841	0	42	-1.0	-39.52	318.60	2.66	-36.86
CCC(CC)(NC(=O)C1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004617841	1	42	-1.0	-39.51	318.66	2.68	-36.83
CCC(CC)(NC(=O)C1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL250004617842	0	38	-1.0	-41.15	301.04	3.23	-37.92
CCC(CC)(NC(=O)C1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL250004617842	1	38	-1.0	-41.17	301.10	3.25	-37.92
CCN1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1=O	REAL250004617843	0	42	-1.0	-37.85	324.87	2.99	-34.86
CCN1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1=O	REAL250004617843	1	42	-1.0	-37.88	324.94	3.00	-34.88
CCC(CC)(NC(=O)CSCC#N)C1=N[N-]N=N1	REAL250004617844	0	33	-1.0	-40.54	284.36	3.20	-37.34
CCC(CC)(NC(=O)CSCC#N)C1=NN=N[N-]1	REAL250004617844	1	33	-1.0	-40.56	284.43	3.21	-37.35
CCC(CC)(NC(=O)CCS(C)(=O)=O)C1=N[N-]N=N1	REAL250004617845	0	37	-1.0	-43.09	304.12	-0.31	-43.40
CCC(CC)(NC(=O)CCS(C)(=O)=O)C1=NN=N[N-]1	REAL250004617845	1	37	-1.0	-43.11	304.18	-0.29	-43.40
CCC(CC)(NC(=O)C=CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004617846	0	39	-1.0	-36.86	312.83	3.27	-33.59
CCC(CC)(NC(=O)C=CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004617846	1	39	-1.0	-36.89	312.90	3.28	-33.61
CCC(CC)(NC(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004617847	0	38	-1.0	-37.47	299.27	3.02	-34.45
CCC(CC)(NC(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004617847	1	38	-1.0	-37.45	299.20	3.00	-34.45
CCC(CC)(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004617848	0	34	-1.0	-41.32	275.52	3.99	-37.33
CCC(CC)(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004617848	1	34	-1.0	-41.35	275.46	3.98	-37.37
CCC(CC)(NC(=O)CSC(F)(F)F)C1=N[N-]N=N1	REAL250004617849	0	32	-1.0	-32.98	283.28	3.17	-29.81
CCC(CC)(NC(=O)CSC(F)(F)F)C1=NN=N[N-]1	REAL250004617849	1	32	-1.0	-32.97	283.34	3.18	-29.79
CCC(CC)(NC(=O)CCOC(C)C)C1=N[N-]N=N1	REAL250004617850	0	41	-1.0	-34.17	316.28	2.92	-31.25
CCC(CC)(NC(=O)CCOC(C)C)C1=NN=N[N-]1	REAL250004617850	1	41	-1.0	-34.15	316.35	2.93	-31.22
CCC(CC)(NC(=O)CN1C=CC=NC1=O)C1=N[N-]N=N1	REAL250004617851	0	37	-1.0	-50.07	299.58	1.57	-48.50
CCC(CC)(NC(=O)CN1C=CC=NC1=O)C1=NN=N[N-]1	REAL250004617851	1	37	-1.0	-50.12	299.65	1.59	-48.53
CCC1=NNC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004617852	0	38	-1.0	-33.77	300.25	2.36	-31.41
CCC1=NNC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004617852	1	38	-1.0	-33.80	300.31	2.36	-31.44
CCC(CC)(NC(=O)C1COCCO1)C1=N[N-]N=N1	REAL250004617853	0	37	-1.0	-35.76	285.42	1.37	-34.39
CCC(CC)(NC(=O)C1COCCO1)C1=NN=N[N-]1	REAL250004617853	1	37	-1.0	-35.76	285.48	1.39	-34.37
CCCCCCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617854	0	47	-1.0	-35.79	361.05	5.46	-30.33
CCCCCCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617854	1	47	-1.0	-35.86	361.12	5.47	-30.39
CCC(CC)(NC(=O)CC(=O)OC)C1=N[N-]N=N1	REAL250004617855	0	34	-1.0	-39.52	272.43	2.93	-36.59
CCC(CC)(NC(=O)CC(=O)OC)C1=NN=N[N-]1	REAL250004617855	1	34	-1.0	-39.53	272.49	2.94	-36.59
CCC(CC)(NC(=O)CCC1CCCO1)C1=N[N-]N=N1	REAL250004617856	0	42	-1.0	-35.72	318.38	3.23	-32.49
CCC(CC)(NC(=O)CCC1CCCO1)C1=NN=N[N-]1	REAL250004617856	1	42	-1.0	-35.71	318.44	3.24	-32.47
CCC(CC)(NC(=O)CSCCOC)C1=N[N-]N=N1	REAL250004617857	0	39	-1.0	-35.35	318.68	2.53	-32.82
CCC(CC)(NC(=O)CSCCOC)C1=NN=N[N-]1	REAL250004617857	1	39	-1.0	-35.37	318.75	2.54	-32.83
CCC(CC)(NC(=O)CN1CCCCC1=O)C1=N[N-]N=N1	REAL250004617858	0	42	-1.0	-41.16	320.98	3.43	-37.73
CCC(CC)(NC(=O)CN1CCCCC1=O)C1=NN=N[N-]1	REAL250004617858	1	42	-1.0	-41.12	321.05	3.44	-37.68
CCC(CC)(NC(=O)CN1CCCNC1=O)C1=N[N-]N=N1	REAL250004617859	0	41	-1.0	-43.22	316.02	1.32	-41.90
CCC(CC)(NC(=O)CN1CCCNC1=O)C1=NN=N[N-]1	REAL250004617859	1	41	-1.0	-43.22	316.09	1.33	-41.89
CCC(CC)(NC(=O)CN(C)C(C)=O)C1=N[N-]N=N1	REAL250004617860	0	38	-1.0	-41.70	298.34	2.20	-39.50
CCC(CC)(NC(=O)CN(C)C(C)=O)C1=NN=N[N-]1	REAL250004617860	1	38	-1.0	-41.74	298.41	2.21	-39.53
CCC(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617861	0	40	-1.0	-34.47	299.16	3.98	-30.49
CCC(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617861	1	40	-1.0	-34.45	299.23	4.00	-30.45
CCC(CC)(NC(=O)C1CC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004617862	0	39	-1.0	-37.64	302.60	1.99	-35.65
CCC(CC)(NC(=O)C1CC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004617862	1	39	-1.0	-37.65	302.67	2.01	-35.64
CCC(CC)(NC(=O)C1=CC=C(C#N)C(C)=N1)C1=N[N-]N=N1	REAL250004617863	0	38	-1.0	-36.68	313.27	3.57	-33.11
CCC(CC)(NC(=O)C1=CC=C(C#N)C(C)=N1)C1=NN=N[N-]1	REAL250004617863	1	38	-1.0	-36.69	313.34	3.59	-33.10
CCC(CC)(NC(=O)C1=CNN=C1C)C1=N[N-]N=N1	REAL250004617864	0	35	-1.0	-35.86	275.26	1.60	-34.26
CCC(CC)(NC(=O)C1=CNN=C1C)C1=NN=N[N-]1	REAL250004617864	1	35	-1.0	-35.87	275.33	1.60	-34.27
CCC(CC)(NC(=O)C1=CSN=N1)C1=NN=N[N-]1	REAL250004617865	0	30	-1.0	-38.20	257.11	0.93	-37.27
CCC(CC)(NC(=O)C1=CSN=N1)C1=N[N-]N=N1	REAL250004617865	1	30	-1.0	-38.22	257.04	0.93	-37.29
CCC(CC)(NC(=O)C1=CC=NC(OC)=C1)C1=NN=N[N-]1	REAL250004617866	0	38	-1.0	-34.77	303.31	1.18	-33.59
CCC(CC)(NC(=O)C1=CC=NC(OC)=C1)C1=N[N-]N=N1	REAL250004617866	1	38	-1.0	-34.78	303.24	1.17	-33.61
CCCCC(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617867	0	46	-1.0	-34.33	342.16	5.53	-28.80
CCCCC(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617867	1	46	-1.0	-34.34	342.22	5.54	-28.80
CCC(CC)(NC(=O)CN(C)C(=O)OC)C1=N[N-]N=N1	REAL250004617868	0	39	-1.0	-40.26	311.00	2.11	-38.15
CCC(CC)(NC(=O)CN(C)C(=O)OC)C1=NN=N[N-]1	REAL250004617868	1	39	-1.0	-40.27	311.07	2.13	-38.14
CCC(=O)NC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617869	0	41	-1.0	-36.22	319.01	1.47	-34.75
CCC(=O)NC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617869	1	41	-1.0	-36.24	319.08	1.48	-34.76
CCC(CC)(NC(=O)C1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL250004617870	0	35	-1.0	-54.74	280.23	4.43	-50.31
CCC(CC)(NC(=O)C1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL250004617870	1	35	-1.0	-54.77	280.30	4.45	-50.32
CCC(CC)(NC(=O)C1=C(C)N=CS1)C1=N[N-]N=N1	REAL250004617871	0	34	-1.0	-34.79	279.22	2.32	-32.47
CCC(CC)(NC(=O)C1=C(C)N=CS1)C1=NN=N[N-]1	REAL250004617871	1	34	-1.0	-34.80	279.29	2.32	-32.48
CCC(CC)(NC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004617872	0	39	-1.0	-40.86	304.99	4.46	-36.40
CCC(CC)(NC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004617872	1	39	-1.0	-40.85	304.92	4.45	-36.40
CCOCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617873	0	41	-1.0	-36.18	317.51	2.94	-33.24
CCOCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617873	1	41	-1.0	-36.21	317.57	2.95	-33.26
CCC(CC)(NC(=O)COCC1CC1)C1=N[N-]N=N1	REAL250004617874	0	39	-1.0	-36.31	306.73	3.90	-32.41
CCC(CC)(NC(=O)COCC1CC1)C1=NN=N[N-]1	REAL250004617874	1	39	-1.0	-36.27	306.80	3.91	-32.36
CCC(CC)(NC(=O)CC1CCCO1)C1=N[N-]N=N1	REAL250004617875	0	39	-1.0	-37.54	295.78	3.19	-34.35
CCC(CC)(NC(=O)CC1CCCO1)C1=NN=N[N-]1	REAL250004617875	1	39	-1.0	-37.52	295.85	3.18	-34.34
CCC(CC)(NC(=O)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL250004617876	0	37	-1.0	-47.27	298.60	0.08	-47.19
CCC(CC)(NC(=O)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL250004617876	1	37	-1.0	-47.26	298.67	0.10	-47.16
CCC(CC)(NC(=O)C1=CNC=C1C)C1=NN=N[N-]1	REAL250004617877	0	36	-1.0	-38.68	281.09	3.10	-35.58
CCC(CC)(NC(=O)C1=CNC=C1C)C1=N[N-]N=N1	REAL250004617877	1	36	-1.0	-38.64	281.03	3.09	-35.55
CCC(CC)(NC(=O)C(C)SC)C1=N[N-]N=N1	REAL250004617878	0	35	-1.0	-35.35	282.09	3.12	-32.23
CCC(CC)(NC(=O)C(C)SC)C1=NN=N[N-]1	REAL250004617878	1	35	-1.0	-35.36	282.16	3.13	-32.23
CCOC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617879	0	38	-1.0	-35.85	294.85	3.02	-32.83
CCOC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617879	1	38	-1.0	-35.85	294.91	3.03	-32.82
CCC(CC)(NC(=O)C1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004617880	0	39	-1.0	-38.63	307.17	4.48	-34.15
CCC(CC)(NC(=O)C1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004617880	1	39	-1.0	-38.62	307.10	4.47	-34.15
CCC(CC)(NC(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004617881	0	37	-1.0	-43.65	299.96	-0.99	-44.64
CCC(CC)(NC(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004617881	1	37	-1.0	-43.62	300.03	-0.98	-44.60
CCC(CC)(NC(=O)C1=CC(C(C)C)=NN1)C1=N[N-]N=N1	REAL250004617882	0	41	-1.0	-33.81	319.88	2.78	-31.03
CCC(CC)(NC(=O)C1=CC(C(C)C)=NN1)C1=NN=N[N-]1	REAL250004617882	1	41	-1.0	-33.82	319.95	2.79	-31.03
CCOC(=O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617883	0	37	-1.0	-39.29	294.29	3.84	-35.45
CCOC(=O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617883	1	37	-1.0	-39.30	294.35	3.86	-35.44
CCC(CC)(NC(=O)CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004617884	0	40	-1.0	-35.99	316.77	4.16	-31.83
CCC(CC)(NC(=O)CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004617884	1	40	-1.0	-35.93	316.83	4.17	-31.76
CCC(CC)(NC(=O)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004617885	0	38	-1.0	-37.78	299.51	3.37	-34.41
CCC(CC)(NC(=O)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004617885	1	38	-1.0	-37.79	299.58	3.38	-34.41
CCC(CC)(NC(=O)C1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL250004617887	0	39	-1.0	-41.57	317.32	5.72	-35.85
CCC(CC)(NC(=O)C1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL250004617887	1	39	-1.0	-41.56	317.38	5.73	-35.83
CCC(CC)(NC(=O)C1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004617888	0	39	-1.0	-36.53	298.85	0.68	-35.85
CCC(CC)(NC(=O)C1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004617888	1	39	-1.0	-36.53	298.92	0.69	-35.84
CCC(CC)(NC(=O)CCCOC)C1=N[N-]N=N1	REAL250004617889	0	38	-1.0	-36.13	295.66	1.97	-34.16
CCC(CC)(NC(=O)CCCOC)C1=NN=N[N-]1	REAL250004617889	1	38	-1.0	-36.20	295.72	1.99	-34.21
CCC(CC)(NC(=O)C1=NNC2=C1CCC2)C1=N[N-]N=N1	REAL250004617890	0	39	-1.0	-40.62	303.44	2.88	-37.74
CCC(CC)(NC(=O)C1=NNC2=C1CCC2)C1=NN=N[N-]1	REAL250004617890	1	39	-1.0	-40.60	303.51	2.88	-37.72
CCC(CC)(NC(=O)CCC(C)(F)F)C1=N[N-]N=N1	REAL250004617891	0	37	-1.0	-34.82	294.60	3.81	-31.01
CCC(CC)(NC(=O)CCC(C)(F)F)C1=NN=N[N-]1	REAL250004617891	1	37	-1.0	-34.80	294.66	3.82	-30.98
CCC(CC)(NC(=O)COC1CCCC1)C1=N[N-]N=N1	REAL250004617892	0	42	-1.0	-36.07	320.00	4.36	-31.71
CCC(CC)(NC(=O)COC1CCCC1)C1=NN=N[N-]1	REAL250004617892	1	42	-1.0	-36.09	320.07	4.38	-31.71
CCC(CC)(NC(=O)COC1CCCCC1)C1=N[N-]N=N1	REAL250004617893	0	45	-1.0	-35.93	336.96	4.97	-30.96
CCC(CC)(NC(=O)COC1CCCCC1)C1=NN=N[N-]1	REAL250004617893	1	45	-1.0	-35.91	337.03	4.98	-30.93
CCC(CC)(NC(=O)C1=CN=CN=C1C)C1=N[N-]N=N1	REAL250004617894	0	36	-1.0	-33.63	282.32	3.11	-30.52
CCC(CC)(NC(=O)C1=CN=CN=C1C)C1=NN=N[N-]1	REAL250004617894	1	36	-1.0	-33.59	282.39	3.12	-30.47
C=CCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617895	0	36	-1.0	-35.41	297.82	4.02	-31.39
C=CCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617895	1	36	-1.0	-35.37	297.89	4.03	-31.34
CCOC1CC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617896	0	39	-1.0	-34.22	305.78	2.92	-31.30
CCOC1CC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617896	1	39	-1.0	-34.26	305.84	2.92	-31.34
CCC(CC)(NC(=O)C1=CC=NC(C)=N1)C1=N[N-]N=N1	REAL250004617897	0	36	-1.0	-36.97	289.96	2.47	-34.50
CCC(CC)(NC(=O)C1=CC=NC(C)=N1)C1=NN=N[N-]1	REAL250004617897	1	36	-1.0	-36.95	290.02	2.48	-34.47
CCSCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617898	0	38	-1.0	-33.98	306.68	4.26	-29.72
CCSCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617898	1	38	-1.0	-34.00	306.75	4.27	-29.73
CCC(CC)(NC(=O)CNC(=O)OC)C1=N[N-]N=N1	REAL250004617899	0	36	-1.0	-35.60	289.98	-0.77	-36.37
CCC(CC)(NC(=O)CNC(=O)OC)C1=NN=N[N-]1	REAL250004617899	1	36	-1.0	-35.60	290.05	-0.76	-36.36
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=N[N-]N=N1	REAL250004617900	0	35	-1.0	-34.64	293.39	3.87	-30.77
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=NN=N[N-]1	REAL250004617900	1	35	-1.0	-34.65	293.46	3.88	-30.77
CCC(CC)(NC(=O)C1=NSN=C1)C1=NN=N[N-]1	REAL250004617901	0	30	-1.0	-34.86	256.88	0.42	-34.44
CCC(CC)(NC(=O)C1=NSN=C1)C1=N[N-]N=N1	REAL250004617901	1	30	-1.0	-34.86	256.81	0.40	-34.46
CCC(CC)(NC(=O)C1=CN=NS1)C1=NN=N[N-]1	REAL250004617902	0	30	-1.0	-32.44	258.20	1.06	-31.38
CCC(CC)(NC(=O)C1=CN=NS1)C1=N[N-]N=N1	REAL250004617902	1	30	-1.0	-32.43	258.14	1.05	-31.38
CCC(CC)(NC(=O)CC1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL250004617903	0	40	-1.0	-37.37	316.16	4.06	-33.31
CCC(CC)(NC(=O)CC1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL250004617903	1	40	-1.0	-37.40	316.22	4.06	-33.34
CCC(CC)(NC(=O)C1=CC=C(C)NC1=O)C1=N[N-]N=N1	REAL250004617904	0	38	-1.0	-51.47	299.51	2.24	-49.23
CCC(CC)(NC(=O)C1=CC=C(C)NC1=O)C1=NN=N[N-]1	REAL250004617904	1	38	-1.0	-51.45	299.57	2.26	-49.19
CCC(CC)(NC(=O)CC(C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004617905	0	49	-1.0	-34.04	347.70	5.72	-28.32
CCC(CC)(NC(=O)CC(C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004617905	1	49	-1.0	-34.02	347.77	5.74	-28.28
CCCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617906	0	38	-1.0	-35.07	306.51	4.25	-30.82
CCCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617906	1	38	-1.0	-35.09	306.58	4.27	-30.82
CCC(CC)(NC(=O)C=C(C)C1CC1)C1=N[N-]N=N1	REAL250004617907	0	39	-1.0	-34.61	296.60	5.00	-29.61
CCC(CC)(NC(=O)C=C(C)C1CC1)C1=NN=N[N-]1	REAL250004617907	1	39	-1.0	-34.64	296.66	5.00	-29.64
CCC(CC)(NC(=O)C1=NOC=C1)C1=NN=N[N-]1	REAL250004617908	0	31	-1.0	-38.98	253.83	1.80	-37.18
CCC(CC)(NC(=O)C1=NOC=C1)C1=N[N-]N=N1	REAL250004617908	1	31	-1.0	-38.97	253.77	1.80	-37.17
CCC(CC)(NC(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004617909	0	38	-1.0	-48.84	300.04	3.92	-44.92
CCC(CC)(NC(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004617909	1	38	-1.0	-48.86	299.99	3.91	-44.95
CCC(CC)(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004617910	0	31	-1.0	-34.85	262.28	1.70	-33.15
CCC(CC)(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004617910	1	31	-1.0	-34.82	262.21	1.70	-33.12
CCC(CC)(NC(=O)C=C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004617911	0	43	-1.0	-34.87	320.81	6.06	-28.81
CCC(CC)(NC(=O)C=C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004617911	1	43	-1.0	-34.89	320.88	6.07	-28.82
CCC(CC)(NC(=O)C1=CC(C)=NN1)C1=N[N-]N=N1	REAL250004617912	0	35	-1.0	-33.96	278.82	1.61	-32.35
CCC(CC)(NC(=O)C1=CC(C)=NN1)C1=NN=N[N-]1	REAL250004617912	1	35	-1.0	-33.88	278.88	1.62	-32.26
CCC(CC)(NC(=O)C=C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004617913	0	42	-1.0	-35.18	330.38	6.45	-28.73
CCC(CC)(NC(=O)C=C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004617913	1	42	-1.0	-35.21	330.44	6.46	-28.75
CCC(CC)(NC(=O)CN1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004617914	0	38	-1.0	-39.80	302.63	3.23	-36.57
CCC(CC)(NC(=O)CN1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004617914	1	38	-1.0	-39.80	302.57	3.22	-36.58
CCC(CC)(NC(=O)C=C1CCCC1)C1=N[N-]N=N1	REAL250004617915	0	39	-1.0	-35.11	295.09	4.86	-30.25
CCC(CC)(NC(=O)C=C1CCCC1)C1=NN=N[N-]1	REAL250004617915	1	39	-1.0	-35.12	295.15	4.86	-30.26
CCC(CC)(NC(=O)C1=CC(C)=NN1C)C1=N[N-]N=N1	REAL250004617916	0	38	-1.0	-34.12	297.04	2.89	-31.23
CCC(CC)(NC(=O)C1=CC(C)=NN1C)C1=NN=N[N-]1	REAL250004617916	1	38	-1.0	-34.13	297.11	2.90	-31.23
CCC(CC)(NC(=O)CCC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004617917	0	41	-1.0	-38.31	324.77	3.72	-34.59
CCC(CC)(NC(=O)CCC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004617917	1	41	-1.0	-38.33	324.71	3.71	-34.62
CCC=C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617918	0	38	-1.0	-35.24	289.16	4.20	-31.04
CCC=C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617918	1	38	-1.0	-35.21	289.23	4.21	-31.00
CCCCSC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617919	0	44	-1.0	-34.95	346.56	5.58	-29.37
CCCCSC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617919	1	44	-1.0	-34.95	346.63	5.60	-29.35
CCC(CC)(NC(=O)CCN1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004617920	0	41	-1.0	-36.64	324.83	3.78	-32.86
CCC(CC)(NC(=O)CCN1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004617920	1	41	-1.0	-36.66	324.77	3.77	-32.89
CCOCCOC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617921	0	45	-1.0	-39.03	350.32	3.24	-35.79
CCOCCOC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617921	1	45	-1.0	-38.97	350.39	3.25	-35.72
CCC(CC)(NC(=O)C(C)OCC(C)C)C1=N[N-]N=N1	REAL250004617922	0	44	-1.0	-35.62	336.45	4.50	-31.12
CCC(CC)(NC(=O)C(C)OCC(C)C)C1=NN=N[N-]1	REAL250004617922	1	44	-1.0	-35.67	336.52	4.51	-31.16
CCC(CC)(NC(=O)CCC1=NC=CS1)C1=N[N-]N=N1	REAL250004617923	0	37	-1.0	-36.10	306.68	3.04	-33.06
CCC(CC)(NC(=O)CCC1=NC=CS1)C1=NN=N[N-]1	REAL250004617923	1	37	-1.0	-36.13	306.75	3.05	-33.08
CCC(CC)(NC(=O)CSCCC(C)C)C1=N[N-]N=N1	REAL250004617924	0	44	-1.0	-34.93	345.58	5.55	-29.38
CCC(CC)(NC(=O)CSCCC(C)C)C1=NN=N[N-]1	REAL250004617924	1	44	-1.0	-34.94	345.64	5.56	-29.38
CCCC(C)=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617925	0	41	-1.0	-34.62	313.12	4.98	-29.64
CCCC(C)=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617925	1	41	-1.0	-34.60	313.19	4.99	-29.61
CCC(CC)(NC(=O)C1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004617926	0	34	-1.0	-34.96	284.16	2.41	-32.55
CCC(CC)(NC(=O)C1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004617926	1	34	-1.0	-34.96	284.23	2.41	-32.55
CCOC(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617927	0	41	-1.0	-35.56	311.19	3.68	-31.88
CCOC(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617927	1	41	-1.0	-35.58	311.26	3.69	-31.89
CCC(CC)(NC(=O)C1CCOC1)C1=N[N-]N=N1	REAL250004617928	0	36	-1.0	-34.64	274.58	1.43	-33.21
CCC(CC)(NC(=O)C1CCOC1)C1=NN=N[N-]1	REAL250004617928	1	36	-1.0	-34.67	274.64	1.44	-33.23
CCC(CC)(NC(=O)CC1=CC=C(C)S1)C1=N[N-]N=N1	REAL250004617929	0	38	-1.0	-35.62	312.60	5.03	-30.59
CCC(CC)(NC(=O)CC1=CC=C(C)S1)C1=NN=N[N-]1	REAL250004617929	1	38	-1.0	-35.62	312.67	5.04	-30.58
CCC(CC)(NC(=O)C=C1CCCCC1)C1=N[N-]N=N1	REAL250004617930	0	42	-1.0	-34.77	311.09	5.25	-29.52
CCC(CC)(NC(=O)C=C1CCCCC1)C1=NN=N[N-]1	REAL250004617930	1	42	-1.0	-34.71	311.15	5.26	-29.45
CCC(CC)(NC(=O)CS(C)(=O)=O)C1=N[N-]N=N1	REAL250004617931	0	34	-1.0	-47.77	282.01	-0.89	-48.66
CCC(CC)(NC(=O)CS(C)(=O)=O)C1=NN=N[N-]1	REAL250004617931	1	34	-1.0	-47.79	282.08	-0.88	-48.67
CCC(CC)(NC(=O)CS(=O)(=O)CC)C1=N[N-]N=N1	REAL250004617932	0	37	-1.0	-47.12	303.48	0.00	-47.12
CCC(CC)(NC(=O)CS(=O)(=O)CC)C1=NN=N[N-]1	REAL250004617932	1	37	-1.0	-47.10	303.54	0.02	-47.08
CCC(CC)(NC(=O)CCN1CCOC1=O)C1=N[N-]N=N1	REAL250004617933	0	40	-1.0	-43.36	316.76	2.27	-41.09
CCC(CC)(NC(=O)CCN1CCOC1=O)C1=NN=N[N-]1	REAL250004617933	1	40	-1.0	-43.33	316.82	2.28	-41.05
CCC(CC)(NC(=O)C1=CC=CC2=C1CCC2)C1=N[N-]N=N1	REAL250004617934	0	42	-1.0	-36.44	317.55	6.44	-30.00
CCC(CC)(NC(=O)C1=CC=CC2=C1CCC2)C1=NN=N[N-]1	REAL250004617934	1	42	-1.0	-36.41	317.61	6.45	-29.96
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)SC=C1	REAL250004617935	0	38	-1.0	-35.66	305.39	4.85	-30.81
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)SC=C1	REAL250004617935	1	38	-1.0	-35.63	305.45	4.87	-30.76
CCC(CC)(NC(=O)C(C)OCC1CC1)C1=N[N-]N=N1	REAL250004617936	0	42	-1.0	-35.95	325.72	4.63	-31.32
CCC(CC)(NC(=O)C(C)OCC1CC1)C1=NN=N[N-]1	REAL250004617936	1	42	-1.0	-35.93	325.78	4.64	-31.29
CCC(CC)(NC(=O)COC(C)C)C1=N[N-]N=N1	REAL250004617937	0	38	-1.0	-36.07	295.33	3.04	-33.03
CCC(CC)(NC(=O)COC(C)C)C1=NN=N[N-]1	REAL250004617937	1	38	-1.0	-36.10	295.40	3.06	-33.04
CCC(CC)(NC(=O)CC(C)C1CC1)C1=N[N-]N=N1	REAL250004617938	0	41	-1.0	-33.89	308.35	4.95	-28.94
CCC(CC)(NC(=O)CC(C)C1CC1)C1=NN=N[N-]1	REAL250004617938	1	41	-1.0	-33.88	308.41	4.96	-28.92
CCC(CC)(NC(=O)CC1CCCCC1C)C1=N[N-]N=N1	REAL250004617939	0	47	-1.0	-33.88	329.95	5.76	-28.12
CCC(CC)(NC(=O)CC1CCCCC1C)C1=NN=N[N-]1	REAL250004617939	1	47	-1.0	-33.89	330.02	5.76	-28.13
CCC(CC)(NC(=O)C1=C(C)OC=N1)C1=NN=N[N-]1	REAL250004617940	0	34	-1.0	-39.11	274.51	-0.10	-39.21
CCC(CC)(NC(=O)C1=C(C)OC=N1)C1=N[N-]N=N1	REAL250004617940	1	34	-1.0	-39.14	274.44	-0.12	-39.26
CCC(CC)(NC(=O)CC(C1CC1)C1CC1)C1=N[N-]N=N1	REAL250004617941	0	45	-1.0	-33.59	338.12	6.51	-27.08
CCC(CC)(NC(=O)CC(C1CC1)C1CC1)C1=NN=N[N-]1	REAL250004617941	1	45	-1.0	-33.59	338.18	6.52	-27.07
CCC1=NC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL250004617942	0	37	-1.0	-34.57	305.64	3.16	-31.41
CCC1=NC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL250004617942	1	37	-1.0	-34.53	305.70	3.17	-31.36
CCC(CC)(NC(=O)CCCN1C=CN=C1)C1=N[N-]N=N1	REAL250004617943	0	41	-1.0	-40.44	323.87	5.50	-34.94
CCC(CC)(NC(=O)CCCN1C=CN=C1)C1=NN=N[N-]1	REAL250004617943	1	41	-1.0	-40.47	323.94	5.51	-34.96
C=CCCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617944	0	39	-1.0	-35.96	309.37	3.68	-32.28
C=CCCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617944	1	39	-1.0	-35.97	309.43	3.69	-32.28
CCC(CC)(NC(=O)CCC1=CSC=N1)C1=N[N-]N=N1	REAL250004617945	0	37	-1.0	-36.41	306.19	2.95	-33.46
CCC(CC)(NC(=O)CCC1=CSC=N1)C1=NN=N[N-]1	REAL250004617945	1	37	-1.0	-36.41	306.26	2.96	-33.45
CCC(CC)(NC(=O)C1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004617947	0	34	-1.0	-33.30	276.74	2.74	-30.56
CCC(CC)(NC(=O)C1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004617947	1	34	-1.0	-33.28	276.67	2.74	-30.54
CCC(CC)(NC(=O)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004617948	0	35	-1.0	-34.01	275.17	2.31	-31.70
CCC(CC)(NC(=O)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004617948	1	35	-1.0	-33.98	275.09	2.31	-31.67
CCC(CC)(NC(=O)CCCN1C=CC=N1)C1=NN=N[N-]1	REAL250004617949	0	41	-1.0	-41.07	324.45	3.90	-37.17
CCC(CC)(NC(=O)CCCN1C=CC=N1)C1=N[N-]N=N1	REAL250004617949	1	41	-1.0	-41.02	324.38	3.89	-37.13
CCC(CC)(NC(=O)CCOCCOC)C1=N[N-]N=N1	REAL250004617950	0	42	-1.0	-36.28	329.64	1.44	-34.84
CCC(CC)(NC(=O)CCOCCOC)C1=NN=N[N-]1	REAL250004617950	1	42	-1.0	-36.28	329.70	1.45	-34.83
CCC(CC)(NC(=O)C(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004617951	0	38	-1.0	-36.94	298.59	4.26	-32.68
CCC(CC)(NC(=O)C(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004617951	1	38	-1.0	-36.96	298.66	4.28	-32.68
CCC(CC)(NC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL250004617953	0	31	-1.0	-35.00	257.90	2.56	-32.44
CCC(CC)(NC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL250004617953	1	31	-1.0	-35.03	257.97	2.57	-32.46
CCC(CC)(NC(=O)C1CNC(=O)C1)C1=N[N-]N=N1	REAL250004617954	0	36	-1.0	-36.95	280.85	-0.30	-37.25
CCC(CC)(NC(=O)C1CNC(=O)C1)C1=NN=N[N-]1	REAL250004617954	1	36	-1.0	-36.95	280.92	-0.28	-37.23
CCCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617955	0	38	-1.0	-35.96	296.56	3.12	-32.84
CCCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617955	1	38	-1.0	-35.99	296.62	3.13	-32.86
CCCCOC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617956	0	44	-1.0	-35.64	337.84	4.59	-31.05
CCCCOC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617956	1	44	-1.0	-35.61	337.91	4.60	-31.01
CCC(CC)(NC(=O)COCCC(C)C)C1=N[N-]N=N1	REAL250004617957	0	44	-1.0	-35.89	335.63	4.41	-31.48
CCC(CC)(NC(=O)COCCC(C)C)C1=NN=N[N-]1	REAL250004617957	1	44	-1.0	-35.88	335.69	4.42	-31.46
CCC(CC)(NC(=O)C(C)OCCC(C)C)C1=N[N-]N=N1	REAL250004617958	0	47	-1.0	-35.55	355.41	5.11	-30.44
CCC(CC)(NC(=O)C(C)OCCC(C)C)C1=NN=N[N-]1	REAL250004617958	1	47	-1.0	-35.56	355.48	5.12	-30.44
CCC(CC)(NC(=O)CCCCOC)C1=N[N-]N=N1	REAL250004617959	0	41	-1.0	-35.31	317.15	2.75	-32.56
CCC(CC)(NC(=O)CCCCOC)C1=NN=N[N-]1	REAL250004617959	1	41	-1.0	-35.29	317.22	2.77	-32.52
CCC(CC)(NC(=O)CCCC(N)=O)C1=N[N-]N=N1	REAL250004617960	0	38	-1.0	-43.75	299.66	-0.25	-44.00
CCC(CC)(NC(=O)CCCC(N)=O)C1=NN=N[N-]1	REAL250004617960	1	38	-1.0	-43.72	299.73	-0.24	-43.96
C=CCCOC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617961	0	42	-1.0	-35.52	329.16	4.37	-31.15
C=CCCOC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617961	1	42	-1.0	-35.54	329.22	4.38	-31.16
CCC(CC)(NC(=O)C=CC1=CSC=N1)C1=N[N-]N=N1	REAL250004617963	0	35	-1.0	-38.77	296.80	2.83	-35.94
CCC(CC)(NC(=O)C=CC1=CSC=N1)C1=NN=N[N-]1	REAL250004617963	1	35	-1.0	-38.78	296.86	2.84	-35.94
CCC(CC)(NC(=O)C(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004617964	0	37	-1.0	-38.39	300.64	2.18	-36.21
CCC(CC)(NC(=O)C(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004617964	1	37	-1.0	-38.42	300.70	2.18	-36.24
CCC(OC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617965	0	38	-1.0	-35.56	289.53	2.74	-32.82
CCC(OC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617965	1	38	-1.0	-35.60	289.60	2.76	-32.84
CCC(CC)(NC(=O)CCN1CCOCC1)C1=N[N-]N=N1	REAL250004617966	0	44	-1.0	-34.78	328.04	0.71	-34.07
CCC(CC)(NC(=O)CCN1CCOCC1)C1=NN=N[N-]1	REAL250004617966	1	44	-1.0	-34.82	328.10	0.72	-34.10
CCC(CC)(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004617967	0	40	-1.0	-37.03	316.07	4.15	-32.88
CCC(CC)(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004617967	1	40	-1.0	-37.06	316.14	4.17	-32.89
CCC(CC)(NC(=O)CCN1C=CN=C1)C1=N[N-]N=N1	REAL250004617968	0	38	-1.0	-36.80	302.37	4.69	-32.11
CCC(CC)(NC(=O)CCN1C=CN=C1)C1=NN=N[N-]1	REAL250004617968	1	38	-1.0	-36.85	302.44	4.71	-32.14
CCC(CC)(NC(=O)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004617969	0	38	-1.0	-38.95	302.59	3.03	-35.92
CCC(CC)(NC(=O)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004617969	1	38	-1.0	-38.89	302.53	3.03	-35.86
CCN1N=C(C)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617970	0	41	-1.0	-34.37	319.91	3.62	-30.75
CCN1N=C(C)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617970	1	41	-1.0	-34.35	319.98	3.63	-30.72
CCC(CC)(NC(=O)COC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004617971	0	38	-1.0	-37.76	304.36	3.09	-34.67
CCC(CC)(NC(=O)COC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004617971	1	38	-1.0	-37.75	304.29	3.08	-34.67
CCC(CC)(NC(=O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004617972	0	44	-1.0	-33.86	312.73	5.10	-28.76
CCC(CC)(NC(=O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004617972	1	44	-1.0	-33.82	312.80	5.12	-28.70
CCC(CC)(NC(=O)CC(C)OC)C1=N[N-]N=N1	REAL250004617973	0	38	-1.0	-35.84	293.29	2.63	-33.21
CCC(CC)(NC(=O)CC(C)OC)C1=NN=N[N-]1	REAL250004617973	1	38	-1.0	-35.82	293.36	2.64	-33.18
CCC(CC)(NC(=O)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004617974	0	35	-1.0	-37.67	285.91	4.70	-32.97
CCC(CC)(NC(=O)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004617974	1	35	-1.0	-37.65	285.98	4.70	-32.95
CCC(CC)(NC(=O)CC1CCCC(C)C1)C1=N[N-]N=N1	REAL250004617975	0	47	-1.0	-33.91	340.40	6.11	-27.80
CCC(CC)(NC(=O)CC1CCCC(C)C1)C1=NN=N[N-]1	REAL250004617975	1	47	-1.0	-33.96	340.46	6.11	-27.85
CCC(CC)(NC(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004617976	0	39	-1.0	-37.13	321.35	5.51	-31.62
CCC(CC)(NC(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004617976	1	39	-1.0	-37.14	321.42	5.53	-31.61
CCC(CC)(NC(=O)C(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004617977	0	44	-1.0	-34.56	318.90	0.42	-34.14
CCC(CC)(NC(=O)C(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004617977	1	44	-1.0	-34.57	318.97	0.44	-34.13
CCCC(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617978	0	43	-1.0	-34.08	318.44	4.91	-29.17
CCCC(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617978	1	43	-1.0	-34.04	318.50	4.92	-29.12
CCC(CC)(NC(=O)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL250004617979	0	41	-1.0	-35.62	321.12	5.90	-29.72
CCC(CC)(NC(=O)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL250004617979	1	41	-1.0	-35.61	321.18	5.90	-29.71
CCOCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617980	0	38	-1.0	-34.17	296.01	2.17	-32.00
CCOCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617980	1	38	-1.0	-34.17	296.08	2.19	-31.98
CCC(CC)(NC(=O)CC(C)CC(C)C)C1=N[N-]N=N1	REAL250004617981	0	46	-1.0	-33.90	335.80	5.45	-28.45
CCC(CC)(NC(=O)CC(C)CC(C)C)C1=NN=N[N-]1	REAL250004617981	1	46	-1.0	-33.90	335.86	5.47	-28.43
CCC(CC)(NC(=O)C1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL250004617982	0	38	-1.0	-37.76	301.02	5.30	-32.46
CCC(CC)(NC(=O)C1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL250004617982	1	38	-1.0	-37.77	301.08	5.31	-32.46
CCC(CC)(NC(=O)CCN1CCCC1=O)C1=N[N-]N=N1	REAL250004617983	0	42	-1.0	-41.42	326.54	3.19	-38.23
CCC(CC)(NC(=O)CCN1CCCC1=O)C1=NN=N[N-]1	REAL250004617983	1	42	-1.0	-41.41	326.61	3.21	-38.20
CCC(CC)(NC(=O)C1CCCOC1)C1=N[N-]N=N1	REAL250004617984	0	39	-1.0	-34.26	292.68	2.29	-31.97
CCC(CC)(NC(=O)C1CCCOC1)C1=NN=N[N-]1	REAL250004617984	1	39	-1.0	-34.28	292.75	2.30	-31.98
CCC(CC)(NC(=O)C1=CSC=N1)C1=NN=N[N-]1	REAL250004617985	0	31	-1.0	-38.81	262.37	1.57	-37.24
CCC(CC)(NC(=O)C1=CSC=N1)C1=N[N-]N=N1	REAL250004617985	1	31	-1.0	-38.82	262.30	1.56	-37.26
CCNC(=O)CCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617986	0	44	-1.0	-43.64	343.08	2.08	-41.56
CCNC(=O)CCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617986	1	44	-1.0	-43.61	343.15	2.09	-41.52
CCNC(=O)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617987	0	41	-1.0	-38.24	321.58	1.29	-36.95
CCNC(=O)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617987	1	41	-1.0	-38.25	321.65	1.31	-36.94
CCCNC(=O)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617988	0	44	-1.0	-38.14	343.08	2.06	-36.08
CCCNC(=O)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617988	1	44	-1.0	-38.10	343.15	2.07	-36.03
CCC(CC)(NC(=O)C1=COCC1)C1=N[N-]N=N1	REAL250004617989	0	34	-1.0	-35.74	267.16	1.99	-33.75
CCC(CC)(NC(=O)C1=COCC1)C1=NN=N[N-]1	REAL250004617989	1	34	-1.0	-35.73	267.23	2.00	-33.73
CCC(=O)NCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617990	0	38	-1.0	-36.56	299.45	0.63	-35.93
CCC(=O)NCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617990	1	38	-1.0	-36.57	299.52	0.64	-35.93
CCC(CC)(NC(=O)C1=C(OC)C=CS1)C1=N[N-]N=N1	REAL250004617991	0	36	-1.0	-40.28	295.31	3.75	-36.53
CCC(CC)(NC(=O)C1=C(OC)C=CS1)C1=NN=N[N-]1	REAL250004617991	1	36	-1.0	-40.27	295.37	3.76	-36.51
CCC(CC)(NC(=O)C1=CN2C=CN=C2C=C1)C1=N[N-]N=N1	REAL250004617992	0	38	-1.0	-36.43	302.18	5.00	-31.43
CCC(CC)(NC(=O)C1=CN2C=CN=C2C=C1)C1=NN=N[N-]1	REAL250004617992	1	38	-1.0	-36.43	302.24	5.02	-31.41
CCC(CC)(NC(=O)CNCC(F)(F)F)C1=N[N-]N=N1	REAL250004617993	0	36	-1.0	-36.10	297.55	0.74	-35.36
CCC(CC)(NC(=O)CNCC(F)(F)F)C1=NN=N[N-]1	REAL250004617993	1	36	-1.0	-36.12	297.62	0.76	-35.36
CCC(CC)(NC(=O)C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004617994	0	35	-1.0	-41.22	280.75	2.35	-38.87
CCC(CC)(NC(=O)C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004617994	1	35	-1.0	-41.20	280.68	2.35	-38.85
CCC(CC)(NC(=O)COCCOC)C1=N[N-]N=N1	REAL250004617995	0	39	-1.0	-38.80	308.68	1.56	-37.24
CCC(CC)(NC(=O)COCCOC)C1=NN=N[N-]1	REAL250004617995	1	39	-1.0	-38.75	308.75	1.58	-37.17
CCCC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004617996	0	40	-1.0	-34.23	299.65	4.20	-30.03
CCCC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617996	1	40	-1.0	-34.23	299.72	4.22	-30.01
CCC(CC)(NC(=O)C1=CN=C(C(C)C)N1)C1=N[N-]N=N1	REAL250004617997	0	41	-1.0	-34.34	319.42	3.15	-31.19
CCC(CC)(NC(=O)C1=CN=C(C(C)C)N1)C1=NN=N[N-]1	REAL250004617997	1	41	-1.0	-34.32	319.49	3.15	-31.17
CCC(CC)(NC(=O)C1=CN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL250004617998	0	39	-1.0	-39.47	310.56	6.06	-33.41
CCC(CC)(NC(=O)C1=CN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL250004617998	1	39	-1.0	-39.53	310.49	6.04	-33.49
CCC(CC)(NC(=O)CN(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL250004617999	0	42	-1.0	-41.88	329.10	3.71	-38.17
CCC(CC)(NC(=O)CN(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL250004617999	1	42	-1.0	-41.86	329.16	3.72	-38.14
CCC(CC)(NC(=O)CCNC(=O)COC)C1=N[N-]N=N1	REAL250004618000	0	42	-1.0	-45.07	334.30	0.62	-44.45
CCC(CC)(NC(=O)CCNC(=O)COC)C1=NN=N[N-]1	REAL250004618000	1	42	-1.0	-45.04	334.37	0.64	-44.40
CCC(CC)(NC(=O)CSCC(N)=O)C1=N[N-]N=N1	REAL250004618001	0	36	-1.0	-43.90	301.02	-0.47	-44.37
CCC(CC)(NC(=O)CSCC(N)=O)C1=NN=N[N-]1	REAL250004618001	1	36	-1.0	-43.94	301.09	-0.45	-44.39
CCC(CC)(NC(=O)C1=NON=C1C)C1=N[N-]N=N1	REAL250004618002	0	33	-1.0	-33.29	269.23	1.68	-31.61
CCC(CC)(NC(=O)C1=NON=C1C)C1=NN=N[N-]1	REAL250004618002	1	33	-1.0	-33.26	269.30	1.69	-31.57
CCC(CC)(NC(=O)C1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004618004	0	38	-1.0	-41.98	303.39	4.21	-37.77
CCC(CC)(NC(=O)C1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004618004	1	38	-1.0	-41.97	303.32	4.20	-37.77
CCC(CC)(NC(=O)C1=COC=N1)C1=NN=N[N-]1	REAL250004618005	0	31	-1.0	-39.02	254.14	-0.83	-39.85
CCC(CC)(NC(=O)C1=COC=N1)C1=N[N-]N=N1	REAL250004618005	1	31	-1.0	-39.01	254.07	-0.84	-39.85
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=C1	REAL250004618006	0	36	-1.0	-38.32	299.52	4.03	-34.29
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=C1	REAL250004618006	1	36	-1.0	-38.31	299.58	4.03	-34.28
CCC(CC)(NC(=O)CC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004618007	0	39	-1.0	-40.90	301.93	0.83	-40.07
CCC(CC)(NC(=O)CC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004618007	1	39	-1.0	-40.92	302.00	0.85	-40.07
CCC(CC)(NC(=O)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004618008	0	42	-1.0	-35.24	321.41	6.21	-29.03
CCC(CC)(NC(=O)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004618008	1	42	-1.0	-35.22	321.47	6.22	-29.00
CCC(CC)(NC(=O)[C@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004618009	0	36	-1.0	-38.87	282.82	0.01	-38.86
CCC(CC)(NC(=O)[C@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004618009	1	36	-1.0	-38.86	282.88	0.02	-38.84
CCC(CC)(NC(=O)CCNC(=O)OC)C1=N[N-]N=N1	REAL250004618011	0	39	-1.0	-39.92	312.11	-0.15	-40.07
CCC(CC)(NC(=O)CCNC(=O)OC)C1=NN=N[N-]1	REAL250004618011	1	39	-1.0	-39.92	312.18	-0.14	-40.06
CCC(CC)(NC(=O)C1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004618012	0	34	-1.0	-34.68	277.32	2.62	-32.06
CCC(CC)(NC(=O)C1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004618012	1	34	-1.0	-34.69	277.25	2.61	-32.08
CCC(CC)(NC(=O)C1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004618013	0	39	-1.0	-39.24	307.22	4.49	-34.75
CCC(CC)(NC(=O)C1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004618013	1	39	-1.0	-39.25	307.15	4.48	-34.77
CCC(CC)(NC(=O)CCCNC(=O)OC)C1=N[N-]N=N1	REAL250004618014	0	42	-1.0	-38.81	333.61	0.65	-38.16
CCC(CC)(NC(=O)CCCNC(=O)OC)C1=NN=N[N-]1	REAL250004618014	1	42	-1.0	-38.82	333.68	0.67	-38.15
CCC(CC)(NC(=O)C1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL250004618016	0	38	-1.0	-53.77	298.27	3.53	-50.24
CCC(CC)(NC(=O)C1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL250004618016	1	38	-1.0	-53.76	298.34	3.54	-50.22
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL250004618017	0	36	-1.0	-37.81	298.19	3.75	-34.06
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL250004618017	1	36	-1.0	-37.81	298.26	3.77	-34.04
CCC(CC)(NC(=O)CC1=CCCCC1)C1=N[N-]N=N1	REAL250004618018	0	42	-1.0	-34.69	316.38	5.34	-29.35
CCC(CC)(NC(=O)CC1=CCCCC1)C1=NN=N[N-]1	REAL250004618018	1	42	-1.0	-34.68	316.45	5.36	-29.32
CCC(CC)(NC(=O)C1=CN=C(C)N1)C1=N[N-]N=N1	REAL250004618019	0	35	-1.0	-35.23	278.98	1.94	-33.29
CCC(CC)(NC(=O)C1=CN=C(C)N1)C1=NN=N[N-]1	REAL250004618019	1	35	-1.0	-35.26	279.04	1.94	-33.32
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004618020	0	46	-1.0	-33.95	323.23	5.04	-28.91
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004618020	1	46	-1.0	-33.94	323.29	5.05	-28.89
CCC(CC)(NC(=O)C(C)COC)C1=N[N-]N=N1	REAL250004618021	0	38	-1.0	-33.67	292.87	1.92	-31.75
CCC(CC)(NC(=O)C(C)COC)C1=NN=N[N-]1	REAL250004618021	1	38	-1.0	-33.66	292.94	1.93	-31.73
CCC(CC)(NC(=O)CCCC(C)(C)C)C1=N[N-]N=N1	REAL250004618022	0	46	-1.0	-34.19	338.71	5.37	-28.82
CCC(CC)(NC(=O)CCCC(C)(C)C)C1=NN=N[N-]1	REAL250004618022	1	46	-1.0	-34.16	338.78	5.38	-28.78
C=CCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618023	0	36	-1.0	-36.35	287.96	2.89	-33.46
C=CCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618023	1	36	-1.0	-36.32	288.03	2.90	-33.42
CCC(CC)(NC(=O)C1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL250004618024	0	38	-1.0	-33.61	302.54	5.13	-28.48
CCC(CC)(NC(=O)C1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL250004618024	1	38	-1.0	-33.59	302.60	5.15	-28.44
CCC(CC)(NC(=O)COCC1CCCO1)C1=N[N-]N=N1	REAL250004618025	0	43	-1.0	-39.83	332.14	2.78	-37.05
CCC(CC)(NC(=O)COCC1CCCO1)C1=NN=N[N-]1	REAL250004618025	1	43	-1.0	-39.80	332.20	2.79	-37.01
CCC(CC)(NC(=O)C1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004618026	0	38	-1.0	-37.43	303.81	4.91	-32.52
CCC(CC)(NC(=O)C1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004618026	1	38	-1.0	-37.43	303.75	4.90	-32.53
CCC(CC)(NC(=O)C=CC1CCOCC1)C1=N[N-]N=N1	REAL250004618027	0	43	-1.0	-35.52	328.51	3.64	-31.88
CCC(CC)(NC(=O)C=CC1CCOCC1)C1=NN=N[N-]1	REAL250004618027	1	43	-1.0	-35.52	328.58	3.66	-31.86
CCC(CC)(NC(=O)C1=CN(C)N=C1C)C1=N[N-]N=N1	REAL250004618028	0	38	-1.0	-36.79	298.20	2.92	-33.87
CCC(CC)(NC(=O)C1=CN(C)N=C1C)C1=NN=N[N-]1	REAL250004618028	1	38	-1.0	-36.75	298.26	2.92	-33.83
CCC(CC)(NC(=O)C1=CC=C(SC)O1)C1=N[N-]N=N1	REAL250004618029	0	36	-1.0	-35.16	303.32	3.64	-31.52
CCC(CC)(NC(=O)C1=CC=C(SC)O1)C1=NN=N[N-]1	REAL250004618029	1	36	-1.0	-35.14	303.39	3.65	-31.49
CCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL250004618030	0	38	-1.0	-37.86	301.67	3.18	-34.68
CCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL250004618030	1	38	-1.0	-37.89	301.61	3.18	-34.71
CCC(CC)(NC(=O)C1=CN=C(OC)N=C1)C1=NN=N[N-]1	REAL250004618031	0	37	-1.0	-34.36	297.95	-0.83	-35.19
CCC(CC)(NC(=O)C1=CN=C(OC)N=C1)C1=N[N-]N=N1	REAL250004618031	1	37	-1.0	-34.35	297.88	-0.84	-35.19
CCCCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618032	0	41	-1.0	-35.99	318.06	3.90	-32.09
CCCCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618032	1	41	-1.0	-36.01	318.12	3.91	-32.10
CCC(CC)(NC(=O)C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004618033	0	39	-1.0	-34.78	297.80	3.20	-31.58
CCC(CC)(NC(=O)C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004618033	1	39	-1.0	-34.78	297.87	3.22	-31.56
CCC(CC)(NC(=O)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618034	0	39	-1.0	-34.88	308.61	3.03	-31.85
CCC(CC)(NC(=O)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618034	1	39	-1.0	-34.89	308.68	3.04	-31.85
CCCCCC(O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618035	0	47	-1.0	-36.93	357.15	3.52	-33.41
CCCCCC(O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618035	1	47	-1.0	-36.93	357.22	3.53	-33.40
CCC(CC)(NC(=O)CC1CCOCC1)C1=N[N-]N=N1	REAL250004618036	0	42	-1.0	-34.75	311.40	2.99	-31.76
CCC(CC)(NC(=O)CC1CCOCC1)C1=NN=N[N-]1	REAL250004618036	1	42	-1.0	-34.75	311.46	3.00	-31.75
CCC(CC)(NC(=O)C(C)CSC)C1=N[N-]N=N1	REAL250004618037	0	38	-1.0	-33.53	302.63	3.94	-29.59
CCC(CC)(NC(=O)C(C)CSC)C1=NN=N[N-]1	REAL250004618037	1	38	-1.0	-33.48	302.70	3.96	-29.52
CCC(CC)(NC(=O)C1=CNC(C)=CC1=O)C1=N[N-]N=N1	REAL250004618038	0	38	-1.0	-55.90	299.38	3.09	-52.81
CCC(CC)(NC(=O)C1=CNC(C)=CC1=O)C1=NN=N[N-]1	REAL250004618038	1	38	-1.0	-55.95	299.45	3.10	-52.85
CCC(CC)(NC(=O)C1=CN=CC=C1C)C1=N[N-]N=N1	REAL250004618039	0	37	-1.0	-36.27	287.16	3.35	-32.92
CCC(CC)(NC(=O)C1=CN=CC=C1C)C1=NN=N[N-]1	REAL250004618039	1	37	-1.0	-36.25	287.22	3.36	-32.89
CCN1CCOC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004618040	0	44	-1.0	-35.46	327.59	1.41	-34.05
CCN1CCOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004618040	1	44	-1.0	-35.44	327.65	1.43	-34.01
CCC(CC)(NC(=O)C1CCCC(C)C1)C1=N[N-]N=N1	REAL250004618041	0	44	-1.0	-33.99	322.49	5.29	-28.70
CCC(CC)(NC(=O)C1CCCC(C)C1)C1=NN=N[N-]1	REAL250004618041	1	44	-1.0	-33.99	322.55	5.31	-28.68
CCC(CC)(NC(=O)CCC1CC1)C1=N[N-]N=N1	REAL250004618042	0	38	-1.0	-34.03	292.82	4.58	-29.45
CCC(CC)(NC(=O)CCC1CC1)C1=NN=N[N-]1	REAL250004618042	1	38	-1.0	-34.07	292.88	4.59	-29.48
CCC(CC)(NC(=O)CCCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004618043	0	44	-1.0	-43.81	338.96	3.20	-40.61
CCC(CC)(NC(=O)CCCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004618043	1	44	-1.0	-43.79	339.02	3.21	-40.58
CCC(CC)(NC(=O)COC1CCOCC1)C1=N[N-]N=N1	REAL250004618044	0	43	-1.0	-37.22	328.15	2.57	-34.65
CCC(CC)(NC(=O)COC1CCOCC1)C1=NN=N[N-]1	REAL250004618044	1	43	-1.0	-37.28	328.22	2.59	-34.69
CCCCC(CC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618045	0	49	-1.0	-33.98	354.03	6.22	-27.76
CCCCC(CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618045	1	49	-1.0	-34.03	354.09	6.23	-27.80
CCC(CC)(NC(=O)C(C)C(C)C)C1=N[N-]N=N1	REAL250004618046	0	40	-1.0	-33.93	294.06	4.00	-29.93
CCC(CC)(NC(=O)C(C)C(C)C)C1=NN=N[N-]1	REAL250004618046	1	40	-1.0	-33.93	294.12	4.02	-29.91
CCC(CC)(NC(=O)C1CCSCC1)C1=N[N-]N=N1	REAL250004618047	0	39	-1.0	-33.77	300.99	4.42	-29.35
CCC(CC)(NC(=O)C1CCSCC1)C1=NN=N[N-]1	REAL250004618047	1	39	-1.0	-33.78	301.06	4.44	-29.34
CCC(CC)(NC(=O)C1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL250004618048	0	41	-1.0	-40.81	321.55	3.60	-37.21
CCC(CC)(NC(=O)C1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL250004618048	1	41	-1.0	-40.81	321.48	3.59	-37.22
CCC(CC)(NC(=O)CC1CCC(C)CC1)C1=N[N-]N=N1	REAL250004618049	0	47	-1.0	-34.22	334.14	5.78	-28.44
CCC(CC)(NC(=O)CC1CCC(C)CC1)C1=NN=N[N-]1	REAL250004618049	1	47	-1.0	-34.21	334.20	5.79	-28.42
CCC(CC)(NC(=O)C(C)CC1CCCC1)C1=N[N-]N=N1	REAL250004618050	0	47	-1.0	-34.44	341.81	6.10	-28.34
CCC(CC)(NC(=O)C(C)CC1CCCC1)C1=NN=N[N-]1	REAL250004618050	1	47	-1.0	-34.46	341.88	6.11	-28.35
CCC(CC)(NC(=O)CCC1CCCCO1)C1=N[N-]N=N1	REAL250004618051	0	45	-1.0	-35.10	335.72	4.17	-30.93
CCC(CC)(NC(=O)CCC1CCCCO1)C1=NN=N[N-]1	REAL250004618051	1	45	-1.0	-35.12	335.78	4.17	-30.95
CCC(CC)(NC(=O)C1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004618052	0	35	-1.0	-37.08	293.19	3.24	-33.84
CCC(CC)(NC(=O)C1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004618052	1	35	-1.0	-37.11	293.12	3.23	-33.88
CCC(CC)(NC(=O)C1=CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004618053	0	40	-1.0	-34.71	317.03	3.74	-30.97
CCC(CC)(NC(=O)C1=CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004618053	1	40	-1.0	-34.72	317.10	3.76	-30.96
CCC(CC)(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004618054	0	37	-1.0	-36.93	294.55	3.45	-33.48
CCC(CC)(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004618054	1	37	-1.0	-36.97	294.61	3.46	-33.51
CCC(CC)(NC(=O)C1CCCN1C)C1=N[N-]N=N1	REAL250004618055	0	40	-1.0	-35.73	301.29	1.59	-34.14
CCC(CC)(NC(=O)C1CCCN1C)C1=NN=N[N-]1	REAL250004618055	1	40	-1.0	-35.73	301.36	1.60	-34.13
CCC(CC)(NC(=O)CC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004618056	0	37	-1.0	-40.23	296.66	3.30	-36.93
CCC(CC)(NC(=O)CC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004618056	1	37	-1.0	-40.24	296.72	3.32	-36.92
CCC(CC)(NC(=O)CC1(O)CCCCC1)C1=N[N-]N=N1	REAL250004618057	0	45	-1.0	-36.55	327.35	3.22	-33.33
CCC(CC)(NC(=O)CC1(O)CCCCC1)C1=NN=N[N-]1	REAL250004618057	1	45	-1.0	-36.57	327.41	3.23	-33.34
CCC(CC)(NC(=O)C(C)OC1CCCC1)C1=N[N-]N=N1	REAL250004618058	0	45	-1.0	-35.76	335.81	5.01	-30.75
CCC(CC)(NC(=O)C(C)OC1CCCC1)C1=NN=N[N-]1	REAL250004618058	1	45	-1.0	-35.75	335.87	5.02	-30.73
CCC(CC)(NC(=O)C1CC2CCC1O2)C1=N[N-]N=N1	REAL250004618059	0	40	-1.0	-33.88	293.10	2.41	-31.47
CCC(CC)(NC(=O)C1CC2CCC1O2)C1=NN=N[N-]1	REAL250004618059	1	40	-1.0	-33.84	293.16	2.42	-31.42
CCC(CC)(NC(=O)C1=NC=CN=C1N)C1=NN=N[N-]1	REAL250004618060	0	35	-1.0	-37.76	277.46	0.09	-37.67
CCC(CC)(NC(=O)C1=NC=CN=C1N)C1=N[N-]N=N1	REAL250004618060	1	35	-1.0	-37.76	277.41	0.09	-37.67
CCC(CC)(NC(=O)C(=O)NC1CC1)C1=N[N-]N=N1	REAL250004618061	0	36	-1.0	-35.72	288.58	0.79	-34.93
CCC(CC)(NC(=O)C(=O)NC1CC1)C1=NN=N[N-]1	REAL250004618061	1	36	-1.0	-35.76	288.64	0.79	-34.97
CCC(CC)(NC(=O)C1=C(C)N(C)N=N1)C1=N[N-]N=N1	REAL250004618062	0	37	-1.0	-41.90	291.79	1.37	-40.53
CCC(CC)(NC(=O)C1=C(C)N(C)N=N1)C1=NN=N[N-]1	REAL250004618062	1	37	-1.0	-41.94	291.86	1.37	-40.57
CCC(CC)(NC(=O)C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL250004618063	0	38	-1.0	-34.98	308.40	4.86	-30.12
CCC(CC)(NC(=O)C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL250004618063	1	38	-1.0	-34.99	308.47	4.88	-30.11
CCC(CC)(NC(=O)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004618064	0	43	-1.0	-34.11	317.21	4.59	-29.52
CCC(CC)(NC(=O)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004618064	1	43	-1.0	-34.06	317.28	4.60	-29.46
CCC(CC)(NC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004618065	0	34	-1.0	-35.67	289.09	3.34	-32.33
CCC(CC)(NC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004618065	1	34	-1.0	-35.66	289.03	3.33	-32.33
CCC(CC)(NC(=O)CC1(O)CCCC1)C1=N[N-]N=N1	REAL250004618066	0	42	-1.0	-33.87	309.79	2.38	-31.49
CCC(CC)(NC(=O)CC1(O)CCCC1)C1=NN=N[N-]1	REAL250004618066	1	42	-1.0	-33.86	309.85	2.39	-31.47
CCC(CC)(NC(=O)C1CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004618067	0	39	-1.0	-35.74	305.54	5.66	-30.08
CCC(CC)(NC(=O)C1CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004618067	1	39	-1.0	-35.74	305.61	5.67	-30.07
CCC(CC)(NC(=O)C(C)C1=CSC=C1)C1=N[N-]N=N1	REAL250004618068	0	38	-1.0	-34.34	306.72	4.80	-29.54
CCC(CC)(NC(=O)C(C)C1=CSC=C1)C1=NN=N[N-]1	REAL250004618068	1	38	-1.0	-34.40	306.78	4.80	-29.60
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=CO1	REAL250004618069	0	37	-1.0	-38.71	293.61	0.76	-37.95
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=CO1	REAL250004618069	1	37	-1.0	-38.75	293.55	0.76	-37.99
CCCCSCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618071	0	44	-1.0	-33.75	349.68	5.84	-27.91
CCCCSCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618071	1	44	-1.0	-33.76	349.75	5.85	-27.91
CCC(CC)(NC(=O)C=CC1CCCCC1)C1=N[N-]N=N1	REAL250004618072	0	45	-1.0	-34.49	337.57	6.04	-28.45
CCC(CC)(NC(=O)C=CC1CCCCC1)C1=NN=N[N-]1	REAL250004618072	1	45	-1.0	-34.48	337.63	6.05	-28.43
CCC(CC)(NC(=O)C=C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004618073	0	45	-1.0	-34.74	331.94	5.86	-28.88
CCC(CC)(NC(=O)C=C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004618073	1	45	-1.0	-34.75	332.01	5.88	-28.87
CCC(CC)(NC(=O)CCCCSC)C1=N[N-]N=N1	REAL250004618074	0	41	-1.0	-35.20	328.22	4.92	-30.28
CCC(CC)(NC(=O)CCCCSC)C1=NN=N[N-]1	REAL250004618074	1	41	-1.0	-35.24	328.28	4.93	-30.31
CCC(CC)(NC(=O)CC1CCOC1)C1=N[N-]N=N1	REAL250004618075	0	39	-1.0	-35.42	293.92	2.30	-33.12
CCC(CC)(NC(=O)CC1CCOC1)C1=NN=N[N-]1	REAL250004618075	1	39	-1.0	-35.40	293.98	2.31	-33.09
CCC(CC)(NC(=O)CC1=NNC=C1)C1=N[N-]N=N1	REAL250004618076	0	35	-1.0	-40.38	279.56	1.56	-38.82
CCC(CC)(NC(=O)CC1=NNC=C1)C1=NN=N[N-]1	REAL250004618076	1	35	-1.0	-40.37	279.62	1.58	-38.79
CCC(CC)(NC(=O)C1=CCCCO1)C1=N[N-]N=N1	REAL250004618077	0	37	-1.0	-36.51	284.86	2.84	-33.67
CCC(CC)(NC(=O)C1=CCCCO1)C1=NN=N[N-]1	REAL250004618077	1	37	-1.0	-36.53	284.93	2.85	-33.68
CCC(CC)(NC(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL250004618078	0	44	-1.0	-34.49	310.61	4.97	-29.52
CCC(CC)(NC(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL250004618078	1	44	-1.0	-34.49	310.68	4.98	-29.51
CCC(CC)(NC(=O)C1=CC=C(OC)N=N1)C1=NN=N[N-]1	REAL250004618080	0	37	-1.0	-38.37	300.41	-0.16	-38.53
CCC(CC)(NC(=O)C1=CC=C(OC)N=N1)C1=N[N-]N=N1	REAL250004618080	1	37	-1.0	-38.37	300.34	-0.17	-38.54
CCC(CC)(NC(=O)C1=CC=NC=C1F)C1=NN=N[N-]1	REAL250004618081	0	34	-1.0	-35.17	275.75	2.79	-32.38
CCC(CC)(NC(=O)C1=CC=NC=C1F)C1=N[N-]N=N1	REAL250004618081	1	34	-1.0	-35.19	275.68	2.78	-32.41
CCC(CC)(NC(=O)C(O)C1CCOCC1)C1=N[N-]N=N1	REAL250004618083	0	43	-1.0	-34.32	315.76	0.75	-33.57
CCC(CC)(NC(=O)C(O)C1CCOCC1)C1=NN=N[N-]1	REAL250004618083	1	43	-1.0	-34.30	315.82	0.76	-33.54
CCC(CC)(NC(=O)C1CCCCCCC1)C1=N[N-]N=N1	REAL250004618085	0	47	-1.0	-34.16	323.09	5.56	-28.60
CCC(CC)(NC(=O)C1CCCCCCC1)C1=NN=N[N-]1	REAL250004618085	1	47	-1.0	-34.16	323.15	5.57	-28.59
CCC(CC)(NC(=O)C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004618086	0	38	-1.0	-36.83	300.30	4.25	-32.58
CCC(CC)(NC(=O)C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004618086	1	38	-1.0	-36.81	300.36	4.26	-32.55
CCC(CC)(NC(=O)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL250004618087	0	38	-1.0	-35.56	303.67	5.18	-30.38
CCC(CC)(NC(=O)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL250004618087	1	38	-1.0	-35.55	303.74	5.19	-30.36
CCC(CC)(NC(=O)CC1CCC1)C1=N[N-]N=N1	REAL250004618088	0	38	-1.0	-34.48	288.39	4.19	-30.29
CCC(CC)(NC(=O)CC1CCC1)C1=NN=N[N-]1	REAL250004618088	1	38	-1.0	-34.47	288.46	4.21	-30.26
CCC(CC)(NC(=O)CCC1CCC(C)O1)C1=N[N-]N=N1	REAL250004618089	0	45	-1.0	-35.79	339.65	4.01	-31.78
CCC(CC)(NC(=O)CCC1CCC(C)O1)C1=NN=N[N-]1	REAL250004618089	1	45	-1.0	-35.82	339.72	4.02	-31.80
CCC(C)(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618090	0	43	-1.0	-33.54	307.90	4.51	-29.03
CCC(C)(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618090	1	43	-1.0	-33.57	307.97	4.52	-29.05
CCC(CC)(NC(=O)C1CCCS1)C1=N[N-]N=N1	REAL250004618091	0	36	-1.0	-36.46	284.90	3.76	-32.70
CCC(CC)(NC(=O)C1CCCS1)C1=NN=N[N-]1	REAL250004618091	1	36	-1.0	-36.45	284.97	3.77	-32.68
CCC(CC)(NC(=O)C1=NOC(COC)=C1)C1=N[N-]N=N1	REAL250004618092	0	38	-1.0	-38.37	309.37	1.70	-36.67
CCC(CC)(NC(=O)C1=NOC(COC)=C1)C1=NN=N[N-]1	REAL250004618092	1	38	-1.0	-38.36	309.43	1.70	-36.66
CCC(CC)(NC(=O)C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004618093	0	34	-1.0	-33.97	283.82	3.20	-30.77
CCC(CC)(NC(=O)C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004618093	1	34	-1.0	-33.97	283.75	3.19	-30.78
CCC(CC)(NC(=O)CCC1CCOCC1)C1=N[N-]N=N1	REAL250004618094	0	45	-1.0	-35.47	333.81	3.70	-31.77
CCC(CC)(NC(=O)CCC1CCOCC1)C1=NN=N[N-]1	REAL250004618094	1	45	-1.0	-35.48	333.88	3.71	-31.77
CCC(CC)(NC(=O)C(C)C1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004618095	0	41	-1.0	-37.37	322.23	5.06	-32.31
CCC(CC)(NC(=O)C(C)C1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004618095	1	41	-1.0	-37.35	322.30	5.07	-32.28
CCC(CC)(NC(=O)C1CN(C)CCO1)C1=N[N-]N=N1	REAL250004618096	0	41	-1.0	-35.56	310.61	0.75	-34.81
CCC(CC)(NC(=O)C1CN(C)CCO1)C1=NN=N[N-]1	REAL250004618096	1	41	-1.0	-35.60	310.67	0.77	-34.83
CCC(CC)(NC(=O)C1=C(C)N=C(C)O1)C1=N[N-]N=N1	REAL250004618097	0	37	-1.0	-35.95	294.03	0.61	-35.34
CCC(CC)(NC(=O)C1=C(C)N=C(C)O1)C1=NN=N[N-]1	REAL250004618097	1	37	-1.0	-35.96	294.09	0.61	-35.35
CCC(CC)(NC(=O)CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004618098	0	38	-1.0	-43.00	293.96	2.94	-40.06
CCC(CC)(NC(=O)CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004618098	1	38	-1.0	-43.00	294.03	2.95	-40.05
CCC(CC)(NC(=O)CCCC1CCCC1)C1=N[N-]N=N1	REAL250004618099	0	47	-1.0	-34.40	347.68	6.29	-28.11
CCC(CC)(NC(=O)CCCC1CCCC1)C1=NN=N[N-]1	REAL250004618099	1	47	-1.0	-34.38	347.75	6.30	-28.08
CCCCCCC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618100	0	49	-1.0	-34.16	364.15	6.55	-27.61
CCCCCCC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618100	1	49	-1.0	-34.18	364.22	6.56	-27.62
CCC(CC)(NC(=O)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004618101	0	34	-1.0	-34.01	275.85	3.16	-30.85
CCC(CC)(NC(=O)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004618101	1	34	-1.0	-33.98	275.92	3.17	-30.81
CCCCCC(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618102	0	49	-1.0	-34.01	361.44	6.47	-27.54
CCCCCC(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618102	1	49	-1.0	-34.04	361.50	6.48	-27.56
CCC(CC)(NC(=O)C1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL250004618103	0	35	-1.0	-38.78	279.91	1.52	-37.26
CCC(CC)(NC(=O)C1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL250004618103	1	35	-1.0	-38.79	279.97	1.53	-37.26
CCC(CC)(NC(=O)CCC1CCC1)C1=N[N-]N=N1	REAL250004618104	0	41	-1.0	-34.22	310.21	4.98	-29.24
CCC(CC)(NC(=O)CCC1CCC1)C1=NN=N[N-]1	REAL250004618104	1	41	-1.0	-34.24	310.28	5.00	-29.24
CCC(CC)(NC(=O)C(C)C1CCCC1)C1=N[N-]N=N1	REAL250004618105	0	44	-1.0	-34.21	321.47	5.32	-28.89
CCC(CC)(NC(=O)C(C)C1CCCC1)C1=NN=N[N-]1	REAL250004618105	1	44	-1.0	-34.16	321.53	5.33	-28.83
CCC(CC)(NC(=O)C1=CC=C(C)C=C1F)C1=N[N-]N=N1	REAL250004618106	0	38	-1.0	-37.71	301.81	5.19	-32.52
CCC(CC)(NC(=O)C1=CC=C(C)C=C1F)C1=NN=N[N-]1	REAL250004618106	1	38	-1.0	-37.73	301.88	5.20	-32.53
CCC(CC)(NC(=O)C1=CC(C(N)=O)=CN1)C1=N[N-]N=N1	REAL250004618107	0	37	-1.0	-43.79	299.16	-0.90	-44.69
CCC(CC)(NC(=O)C1=CC(C(N)=O)=CN1)C1=NN=N[N-]1	REAL250004618107	1	37	-1.0	-43.79	299.23	-0.89	-44.68
CCC(CC)(NC(=O)C1=CSC=C1C)C1=N[N-]N=N1	REAL250004618108	0	35	-1.0	-35.08	284.08	4.05	-31.03
CCC(CC)(NC(=O)C1=CSC=C1C)C1=NN=N[N-]1	REAL250004618108	1	35	-1.0	-35.10	284.15	4.07	-31.03
CCC(CC)(NC(=O)C1=C2NC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004618109	0	39	-1.0	-37.14	305.01	4.64	-32.50
CCC(CC)(NC(=O)C1=C2NC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004618109	1	39	-1.0	-37.15	304.95	4.62	-32.53
CCC(CC)(NC(=O)C1=CC=C(C#N)S1)C1=N[N-]N=N1	REAL250004618110	0	33	-1.0	-35.29	289.60	4.02	-31.27
CCC(CC)(NC(=O)C1=CC=C(C#N)S1)C1=NN=N[N-]1	REAL250004618110	1	33	-1.0	-35.33	289.66	4.03	-31.30
CCC(CC)(NC(=O)C1=C(C)C=C(C)O1)C1=N[N-]N=N1	REAL250004618111	0	38	-1.0	-37.25	299.88	3.95	-33.30
CCC(CC)(NC(=O)C1=C(C)C=C(C)O1)C1=NN=N[N-]1	REAL250004618111	1	38	-1.0	-37.23	299.95	3.96	-33.27
CCC(CC)(NC(=O)CCN1C=CC=C1)C1=N[N-]N=N1	REAL250004618112	0	39	-1.0	-34.50	307.68	4.98	-29.52
CCC(CC)(NC(=O)CCN1C=CC=C1)C1=NN=N[N-]1	REAL250004618112	1	39	-1.0	-34.49	307.75	5.00	-29.49
C=CCOCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618113	0	42	-1.0	-36.46	330.41	3.51	-32.95
C=CCOCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618113	1	42	-1.0	-36.43	330.48	3.53	-32.90
CCC(CC)(NC(=O)C1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL250004618114	0	37	-1.0	-36.15	292.36	3.32	-32.83
CCC(CC)(NC(=O)C1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL250004618114	1	37	-1.0	-36.16	292.30	3.30	-32.86
CCC(CC)(NC(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL250004618115	0	34	-1.0	-33.72	280.11	3.29	-30.43
CCC(CC)(NC(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL250004618115	1	34	-1.0	-33.71	280.18	3.30	-30.41
CCC(CC)(NC(=O)C1CC12CCOCC2)C1=N[N-]N=N1	REAL250004618116	0	43	-1.0	-35.50	314.29	3.38	-32.12
CCC(CC)(NC(=O)C1CC12CCOCC2)C1=NN=N[N-]1	REAL250004618116	1	43	-1.0	-35.52	314.34	3.39	-32.13
CCC(CC)(NC(=O)C1=C(C)N=CO1)C1=N[N-]N=N1	REAL250004618117	0	34	-1.0	-36.15	272.04	-0.13	-36.28
CCC(CC)(NC(=O)C1=C(C)N=CO1)C1=NN=N[N-]1	REAL250004618117	1	34	-1.0	-36.13	272.10	-0.13	-36.26
CCC(CC)(NC(=O)[C@@H]1CCCCN1C)C1=N[N-]N=N1	REAL250004618118	0	43	-1.0	-34.36	315.05	2.24	-32.12
CCC(CC)(NC(=O)[C@@H]1CCCCN1C)C1=NN=N[N-]1	REAL250004618118	1	43	-1.0	-34.39	315.12	2.26	-32.13
CCC(CC)(NC(=O)C1C2CCCC21)C1=N[N-]N=N1	REAL250004618119	0	39	-1.0	-34.51	282.89	4.44	-30.07
CCC(CC)(NC(=O)C1C2CCCC21)C1=NN=N[N-]1	REAL250004618119	1	39	-1.0	-34.54	282.96	4.45	-30.09
CCC(CC)(NC(=O)C(C)C1CC1)C1=N[N-]N=N1	REAL250004618120	0	38	-1.0	-34.13	289.98	4.28	-29.85
CCC(CC)(NC(=O)C(C)C1CC1)C1=NN=N[N-]1	REAL250004618120	1	38	-1.0	-34.14	290.05	4.30	-29.84
CCC(CC)(NC(=O)CC1CCCCCC1)C1=N[N-]N=N1	REAL250004618121	0	47	-1.0	-34.15	332.02	5.78	-28.37
CCC(CC)(NC(=O)CC1CCCCCC1)C1=NN=N[N-]1	REAL250004618121	1	47	-1.0	-34.20	332.09	5.79	-28.41
CCC(CC)(NC(=O)C1=CC(C#N)=CN1)C1=N[N-]N=N1	REAL250004618122	0	34	-1.0	-36.94	283.26	2.81	-34.13
CCC(CC)(NC(=O)C1=CC(C#N)=CN1)C1=NN=N[N-]1	REAL250004618122	1	34	-1.0	-36.98	283.32	2.82	-34.16
CCC(CC)(NC(=O)C#CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618123	0	37	-1.0	-36.46	307.63	5.80	-30.66
CCC(CC)(NC(=O)C#CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618123	1	37	-1.0	-36.48	307.70	5.81	-30.67
CCC(CC)(NC(=O)C(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004618124	0	41	-1.0	-38.97	320.53	3.57	-35.40
CCC(CC)(NC(=O)C(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004618124	1	41	-1.0	-38.95	320.46	3.57	-35.38
CCC(CC)(NC(=O)CCC1=COC=C1)C1=N[N-]N=N1	REAL250004618125	0	38	-1.0	-36.01	302.63	3.88	-32.13
CCC(CC)(NC(=O)CCC1=COC=C1)C1=NN=N[N-]1	REAL250004618125	1	38	-1.0	-36.00	302.70	3.89	-32.11
CCC(CC)(NC(=O)CCC1CCCOC1)C1=N[N-]N=N1	REAL250004618126	0	45	-1.0	-35.21	333.73	3.71	-31.50
CCC(CC)(NC(=O)CCC1CCCOC1)C1=NN=N[N-]1	REAL250004618126	1	45	-1.0	-35.17	333.80	3.72	-31.45
CCC(CC)(NC(=O)C1=NC=CC=C1C)C1=NN=N[N-]1	REAL250004618127	0	37	-1.0	-39.28	289.20	3.41	-35.87
CCC(CC)(NC(=O)C1=NC=CC=C1C)C1=N[N-]N=N1	REAL250004618127	1	37	-1.0	-39.33	289.13	3.40	-35.93
CCC(CC)(NC(=O)C(C)=C(C)C)C1=N[N-]N=N1	REAL250004618128	0	38	-1.0	-35.38	283.90	4.11	-31.27
CCC(CC)(NC(=O)C(C)=C(C)C)C1=NN=N[N-]1	REAL250004618128	1	38	-1.0	-35.37	283.96	4.12	-31.25
CCC(CC)(NC(=O)C1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004618129	0	44	-1.0	-34.38	320.40	5.12	-29.26
CCC(CC)(NC(=O)C1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004618129	1	44	-1.0	-34.34	320.47	5.14	-29.20
CCC(CC)(NC(=O)CCC1=NN=CN1)C1=N[N-]N=N1	REAL250004618130	0	37	-1.0	-41.64	295.89	3.34	-38.30
CCC(CC)(NC(=O)CCC1=NN=CN1)C1=NN=N[N-]1	REAL250004618130	1	37	-1.0	-41.70	295.95	3.35	-38.35
CCC(CC)(NC(=O)CS(=O)(=O)NC)C1=N[N-]N=N1	REAL250004618131	0	36	-1.0	-43.51	296.91	-2.44	-45.95
CCC(CC)(NC(=O)CS(=O)(=O)NC)C1=NN=N[N-]1	REAL250004618131	1	36	-1.0	-43.59	296.97	-2.43	-46.02
CCC(CC)(NC(=O)C=CSC)C1=N[N-]N=N1	REAL250004618132	0	33	-1.0	-35.28	276.08	3.05	-32.23
CCC(CC)(NC(=O)C=CSC)C1=NN=N[N-]1	REAL250004618132	1	33	-1.0	-35.26	276.15	3.07	-32.19
CCC(CC)(NC(=O)CCC1CCOC1)C1=N[N-]N=N1	REAL250004618133	0	42	-1.0	-36.06	315.93	2.91	-33.15
CCC(CC)(NC(=O)CCC1CCOC1)C1=NN=N[N-]1	REAL250004618133	1	42	-1.0	-36.05	316.00	2.92	-33.13
CCC(CC)(NC(=O)C1=CC(C#N)=CS1)C1=N[N-]N=N1	REAL250004618134	0	33	-1.0	-35.12	288.11	3.94	-31.18
CCC(CC)(NC(=O)C1=CC(C#N)=CS1)C1=NN=N[N-]1	REAL250004618134	1	33	-1.0	-35.10	288.18	3.94	-31.16
CCC(CC)(NC(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004618135	1	31	-1.0	-32.61	263.89	2.61	-30.00
CCC(CC)(NC(=O)CN1C=CN=N1)C1=NN=N[N-]1	REAL250004618136	0	34	-1.0	-43.17	274.63	1.27	-41.90
CCC(CC)(NC(=O)CN1C=CN=N1)C1=N[N-]N=N1	REAL250004618136	1	34	-1.0	-43.16	274.56	1.26	-41.90
CCC(CC)(NC(=O)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL250004618137	0	33	-1.0	-35.48	280.91	3.05	-32.43
CCC(CC)(NC(=O)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL250004618137	1	33	-1.0	-35.48	280.85	3.04	-32.44
CCC(CC)(NC(=O)C1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004618138	0	35	-1.0	-39.88	286.77	1.97	-37.91
CCC(CC)(NC(=O)C1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004618138	1	35	-1.0	-39.83	286.84	1.97	-37.86
CCC(CC)(NC(=O)C1=CC(OC)=CS1)C1=N[N-]N=N1	REAL250004618139	0	36	-1.0	-34.97	297.69	2.89	-32.08
CCC(CC)(NC(=O)C1=CC(OC)=CS1)C1=NN=N[N-]1	REAL250004618139	1	36	-1.0	-34.91	297.76	2.89	-32.02
CCC(CC)(NC(=O)C1=C(C)NC=C1)C1=NN=N[N-]1	REAL250004618140	0	36	-1.0	-39.11	281.38	2.89	-36.22
CCC(CC)(NC(=O)C1=C(C)NC=C1)C1=N[N-]N=N1	REAL250004618140	1	36	-1.0	-39.08	281.32	2.88	-36.20
C=CCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618141	0	38	-1.0	-34.60	296.29	4.24	-30.36
C=CCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618141	1	38	-1.0	-34.58	296.36	4.26	-30.32
CCC(CC)(NC(=O)CCCCCC(C)C)C1=N[N-]N=N1	REAL250004618142	0	49	-1.0	-34.24	365.54	6.53	-27.71
CCC(CC)(NC(=O)CCCCCC(C)C)C1=NN=N[N-]1	REAL250004618142	1	49	-1.0	-34.30	365.61	6.55	-27.75
CCC(CC)(NC(=O)CCC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004618143	0	41	-1.0	-36.06	324.56	4.86	-31.20
CCC(CC)(NC(=O)CCC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004618143	1	41	-1.0	-36.08	324.63	4.87	-31.21
CCC(CC)(NC(=O)C1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL250004618144	0	38	-1.0	-38.08	305.33	1.31	-36.77
CCC(CC)(NC(=O)C1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL250004618144	1	38	-1.0	-38.14	305.26	1.29	-36.85
CCC(CC)(NC(=O)COC1CCOC1)C1=N[N-]N=N1	REAL250004618145	0	40	-1.0	-36.72	310.46	1.76	-34.96
CCC(CC)(NC(=O)COC1CCOC1)C1=NN=N[N-]1	REAL250004618145	1	40	-1.0	-36.69	310.53	1.77	-34.92
CCC(CC)(NC(=O)C1CC12CCCC2)C1=N[N-]N=N1	REAL250004618146	0	42	-1.0	-34.92	314.08	5.37	-29.55
CCC(CC)(NC(=O)C1CC12CCCC2)C1=NN=N[N-]1	REAL250004618146	1	42	-1.0	-34.96	314.15	5.39	-29.57
CCC(CC)(NC(=O)C1=CSC(C=O)=C1)C1=N[N-]N=N1	REAL250004618147	0	34	-1.0	-36.22	290.23	3.20	-33.02
CCC(CC)(NC(=O)C1=CSC(C=O)=C1)C1=NN=N[N-]1	REAL250004618147	1	34	-1.0	-36.28	290.30	3.22	-33.06
CCC(CC)(NC(=O)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004618148	0	35	-1.0	-33.38	279.69	3.70	-29.68
CCC(CC)(NC(=O)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004618148	1	35	-1.0	-33.42	279.75	3.71	-29.71
CCC(CC)(NC(=O)C1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004618149	0	35	-1.0	-40.79	280.04	1.47	-39.32
CCC(CC)(NC(=O)C1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004618149	1	35	-1.0	-40.75	280.10	1.47	-39.28
CCC(CC)(NC(=O)CC1=NNC(C)=C1)C1=N[N-]N=N1	REAL250004618150	0	38	-1.0	-40.11	301.48	2.12	-37.99
CCC(CC)(NC(=O)CC1=NNC(C)=C1)C1=NN=N[N-]1	REAL250004618150	1	38	-1.0	-40.14	301.54	2.14	-38.00
CCC(CC)(NC(=O)CC1=CC(C)=NN1)C1=N[N-]N=N1	REAL250004618150	1	38	-1.0	-37.77	302.31	2.01	-35.76
CCC(CC)(NC(=O)CC1=CC(C)=NN1)C1=NN=N[N-]1	REAL250004618150	1	38	-1.0	-37.77	302.37	2.03	-35.74
CCC(CC)(NC(=O)C1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004618151	0	36	-1.0	-39.49	285.89	4.05	-35.44
CCC(CC)(NC(=O)C1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004618151	1	36	-1.0	-39.49	285.96	4.06	-35.43
CCC(CC)(NC(=O)CC(C)COC)C1=N[N-]N=N1	REAL250004618152	0	41	-1.0	-35.64	311.65	2.60	-33.04
CCC(CC)(NC(=O)CC(C)COC)C1=NN=N[N-]1	REAL250004618152	1	41	-1.0	-35.60	311.71	2.61	-32.99
CCC(CC)(NC(=O)CC1CCCCO1)C1=N[N-]N=N1	REAL250004618153	0	42	-1.0	-36.57	314.59	3.95	-32.62
CCC(CC)(NC(=O)CC1CCCCO1)C1=NN=N[N-]1	REAL250004618153	1	42	-1.0	-36.56	314.66	3.96	-32.60
CCC(CC)(NC(=O)C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL250004618154	0	41	-1.0	-34.33	317.97	3.76	-30.57
CCC(CC)(NC(=O)C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL250004618154	1	41	-1.0	-34.35	317.90	3.74	-30.61
CCC(CC)(NC(=O)CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004618155	0	37	-1.0	-36.93	294.55	3.45	-33.48
CCC(CC)(NC(=O)CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004618155	1	37	-1.0	-36.97	294.61	3.46	-33.51
CCC(CC)(NC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004618156	0	39	-1.0	-37.37	311.52	2.26	-35.11
CCC(CC)(NC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004618156	1	39	-1.0	-37.39	311.58	2.28	-35.11
CCC(CC)(NC(=O)CN1CCC(C)CC1)C1=N[N-]N=N1	REAL250004618157	1	46	-1.0	-34.50	336.40	3.30	-31.20
CCC(CC)(NC(=O)CN1CCC(C)CC1)C1=NN=N[N-]1	REAL250004618157	1	46	-1.0	-34.49	336.47	3.30	-31.19
CCC(CC)(NC(=O)C1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004618158	0	39	-1.0	-39.20	299.01	0.70	-38.50
CCC(CC)(NC(=O)C1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004618158	1	39	-1.0	-39.17	299.07	0.71	-38.46
CCC(CC)(NC(=O)C1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004618159	0	47	-1.0	-33.92	335.67	5.58	-28.34
CCC(CC)(NC(=O)C1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004618159	1	47	-1.0	-33.92	335.73	5.59	-28.33
CCC(CC)(NC(=O)CC(C)C(=O)OC)C1=N[N-]N=N1	REAL250004618160	0	40	-1.0	-35.59	312.42	3.50	-32.09
CCC(CC)(NC(=O)CC(C)C(=O)OC)C1=NN=N[N-]1	REAL250004618160	1	40	-1.0	-35.57	312.49	3.52	-32.05
CCC(CC)(NC(=O)C(F)=C1CCCC1)C1=N[N-]N=N1	REAL250004618161	0	39	-1.0	-34.65	300.44	4.94	-29.71
CCC(CC)(NC(=O)C(F)=C1CCCC1)C1=NN=N[N-]1	REAL250004618161	1	39	-1.0	-34.68	300.50	4.94	-29.74
CCC1=CC=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618162	0	41	-1.0	-35.60	310.51	5.85	-29.75
CCC1=CC=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618162	1	41	-1.0	-35.58	310.57	5.86	-29.72
CCC(CC)(NC(=O)C1CC1(C)CC)C1=N[N-]N=N1	REAL250004618163	0	41	-1.0	-34.32	304.67	4.77	-29.55
CCC(CC)(NC(=O)C1CC1(C)CC)C1=NN=N[N-]1	REAL250004618163	1	41	-1.0	-34.35	304.74	4.79	-29.56
CCC(CC)(NC(=O)C1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL250004618164	0	38	-1.0	-36.50	298.27	4.94	-31.56
CCC(CC)(NC(=O)C1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL250004618164	1	38	-1.0	-36.52	298.32	4.94	-31.58
CCC(CC)(NC(=O)C1CC12CCC2)C1=N[N-]N=N1	REAL250004618165	0	39	-1.0	-34.80	298.31	4.85	-29.95
CCC(CC)(NC(=O)C1CC12CCC2)C1=NN=N[N-]1	REAL250004618165	1	39	-1.0	-34.77	298.38	4.86	-29.91
CCC(CC)(NC(=O)C1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004618166	0	34	-1.0	-33.39	277.33	2.74	-30.65
CCC(CC)(NC(=O)C1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004618166	1	34	-1.0	-33.37	277.27	2.73	-30.64
CCC(=CC(=O)NC(CC)(CC)C1=N[N-]N=N1)CC	REAL250004618167	0	41	-1.0	-34.60	310.22	4.93	-29.67
CCC(=CC(=O)NC(CC)(CC)C1=NN=N[N-]1)CC	REAL250004618167	1	41	-1.0	-34.65	310.29	4.95	-29.70
CCC(CC)(NC(=O)C1=CNC(=O)C=C1C)C1=N[N-]N=N1	REAL250004618168	0	38	-1.0	-36.41	296.73	2.05	-34.36
CCC(CC)(NC(=O)C1=CNC(=O)C=C1C)C1=NN=N[N-]1	REAL250004618168	1	38	-1.0	-36.43	296.80	2.07	-34.36
CCC(CC)(NC(=O)CN1C=NC(C#N)=N1)C1=NN=N[N-]1	REAL250004618169	0	35	-1.0	-43.58	296.85	3.41	-40.17
CCC(CC)(NC(=O)CN1C=NC(C#N)=N1)C1=N[N-]N=N1	REAL250004618169	1	35	-1.0	-43.61	296.78	3.40	-40.21
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N1)C1=N[N-]N=N1	REAL250004618170	0	39	-1.0	-34.66	309.06	3.48	-31.18
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N1)C1=NN=N[N-]1	REAL250004618170	1	39	-1.0	-34.64	309.13	3.48	-31.16
CCC(CC)(NC(=O)CC1CCC(C)C1)C1=N[N-]N=N1	REAL250004618171	0	44	-1.0	-34.20	324.23	5.38	-28.82
CCC(CC)(NC(=O)CC1CCC(C)C1)C1=NN=N[N-]1	REAL250004618171	1	44	-1.0	-34.23	324.30	5.39	-28.84
CCC(CC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618172	0	43	-1.0	-34.13	314.97	4.76	-29.37
CCC(CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618172	1	43	-1.0	-34.13	315.03	4.77	-29.36
CC=C(C=CC(=O)NC(CC)(CC)C1=N[N-]N=N1)CC	REAL250004618173	0	42	-1.0	-35.30	324.42	5.35	-29.95
CC=C(C=CC(=O)NC(CC)(CC)C1=NN=N[N-]1)CC	REAL250004618173	1	42	-1.0	-35.35	324.48	5.36	-29.99
CCC(CC)(NC(=O)C=C1CCC(C)C1)C1=N[N-]N=N1	REAL250004618174	0	42	-1.0	-34.93	315.77	5.37	-29.56
CCC(CC)(NC(=O)C=C1CCC(C)C1)C1=NN=N[N-]1	REAL250004618174	1	42	-1.0	-34.95	315.83	5.39	-29.56
CCC(CC)(NC(=O)C1CCSC1)C1=N[N-]N=N1	REAL250004618175	0	36	-1.0	-33.66	282.19	3.73	-29.93
CCC(CC)(NC(=O)C1CCSC1)C1=NN=N[N-]1	REAL250004618175	1	36	-1.0	-33.65	282.26	3.74	-29.91
CCC(CC)(NC(=O)C1CC(C)C1)C1=N[N-]N=N1	REAL250004618176	0	38	-1.0	-34.66	287.63	4.04	-30.62
CCC(CC)(NC(=O)C1CC(C)C1)C1=NN=N[N-]1	REAL250004618176	1	38	-1.0	-34.63	287.70	4.05	-30.58
CCC(CC)(NC(=O)C(C)=C1CCCC1)C1=N[N-]N=N1	REAL250004618177	0	42	-1.0	-35.56	310.83	5.41	-30.15
CCC(CC)(NC(=O)C(C)=C1CCCC1)C1=NN=N[N-]1	REAL250004618177	1	42	-1.0	-35.59	310.90	5.43	-30.16
CCC(CC)(NC(=O)CC1CCSCC1)C1=N[N-]N=N1	REAL250004618178	0	42	-1.0	-34.52	320.20	5.06	-29.46
CCC(CC)(NC(=O)CC1CCSCC1)C1=NN=N[N-]1	REAL250004618178	1	42	-1.0	-34.50	320.27	5.08	-29.42
CCOC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004618179	0	47	-1.0	-35.04	347.37	4.75	-30.29
CCOC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004618179	1	47	-1.0	-35.05	347.43	4.76	-30.29
CCC(CC)(NC(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004618180	0	35	-1.0	-42.78	280.69	3.78	-39.00
CCC(CC)(NC(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004618180	1	35	-1.0	-42.77	280.63	3.78	-38.99
CCC(CC)(NC(=O)C(C)CC(=O)OC)C1=N[N-]N=N1	REAL250004618181	0	40	-1.0	-35.28	311.29	3.46	-31.82
CCC(CC)(NC(=O)C(C)CC(=O)OC)C1=NN=N[N-]1	REAL250004618181	1	40	-1.0	-35.28	311.35	3.47	-31.81
CCC(CC)(NC(=O)C1=CC(C)=C(C)O1)C1=N[N-]N=N1	REAL250004618182	0	38	-1.0	-36.93	300.81	3.99	-32.94
CCC(CC)(NC(=O)C1=CC(C)=C(C)O1)C1=NN=N[N-]1	REAL250004618182	1	38	-1.0	-36.90	300.88	4.00	-32.90
C=CCC(CC=C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618183	0	42	-1.0	-33.82	318.54	5.41	-28.41
C=CCC(CC=C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618183	1	42	-1.0	-33.85	318.61	5.42	-28.43
CCC(CC)(NC(=O)C1=C(C)C=C(C)N1)C1=N[N-]N=N1	REAL250004618184	0	39	-1.0	-35.63	302.85	3.47	-32.16
CCC(CC)(NC(=O)C1=C(C)C=C(C)N1)C1=NN=N[N-]1	REAL250004618184	1	39	-1.0	-35.64	302.91	3.48	-32.16
CCC1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)O1	REAL250004618185	0	42	-1.0	-36.41	318.77	4.15	-32.26
CCC1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)O1	REAL250004618185	1	42	-1.0	-36.34	318.83	4.17	-32.17
CCC(CC)(NC(=O)C1=CC=CC(C)=C1F)C1=N[N-]N=N1	REAL250004618186	0	38	-1.0	-38.24	299.91	5.26	-32.98
CCC(CC)(NC(=O)C1=CC=CC(C)=C1F)C1=NN=N[N-]1	REAL250004618186	1	38	-1.0	-38.21	299.98	5.26	-32.95
CCC(CC)(NC(=O)C(O)CCSC)C1=N[N-]N=N1	REAL250004618187	0	39	-1.0	-35.40	316.51	1.91	-33.49
CCC(CC)(NC(=O)C(O)CCSC)C1=NN=N[N-]1	REAL250004618187	1	39	-1.0	-35.44	316.57	1.92	-33.52
CCC(CC)(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618188	0	39	-1.0	-34.90	308.61	3.03	-31.87
CCC(CC)(NC(=O)[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618188	1	39	-1.0	-34.86	308.67	3.04	-31.82
CCC(CC)(NC(=O)[C@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618189	0	39	-1.0	-34.65	307.29	3.16	-31.49
CCC(CC)(NC(=O)[C@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618189	1	39	-1.0	-34.72	307.36	3.16	-31.56
CCC(CC)(NC(=O)C(O)C(C)(C)C)C1=N[N-]N=N1	REAL250004618190	0	41	-1.0	-33.93	292.72	2.00	-31.93
CCC(CC)(NC(=O)C(O)C(C)(C)C)C1=NN=N[N-]1	REAL250004618190	1	41	-1.0	-33.96	292.78	2.01	-31.95
CCC(CC)(NC(=O)[C@H]1CC1(C)C)C1=N[N-]N=N1	REAL250004618192	0	38	-1.0	-34.47	287.60	4.13	-30.34
CCC(CC)(NC(=O)[C@H]1CC1(C)C)C1=NN=N[N-]1	REAL250004618192	1	38	-1.0	-34.46	287.67	4.14	-30.32
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=N[N-]N=N1	REAL250004618193	0	34	-1.0	-34.94	280.63	2.50	-32.44
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=NN=N[N-]1	REAL250004618193	1	34	-1.0	-34.93	280.70	2.50	-32.43
CCC(CC)(NC(=O)CNC(=O)NC)C1=N[N-]N=N1	REAL250004618194	0	37	-1.0	-37.74	294.01	-1.54	-39.28
CCC(CC)(NC(=O)CNC(=O)NC)C1=NN=N[N-]1	REAL250004618194	1	37	-1.0	-37.75	294.08	-1.52	-39.27
CCC(CC)(NC(=O)C1=CC=C(C)C=N1)C1=NN=N[N-]1	REAL250004618195	0	37	-1.0	-38.75	293.79	3.49	-35.26
CCC(CC)(NC(=O)C1=CC=C(C)C=N1)C1=N[N-]N=N1	REAL250004618195	1	37	-1.0	-38.74	293.72	3.49	-35.25
CCC(CC)(NC(=O)CC1=CC=C(C)O1)C1=N[N-]N=N1	REAL250004618196	0	38	-1.0	-37.57	303.16	4.08	-33.49
CCC(CC)(NC(=O)CC1=CC=C(C)O1)C1=NN=N[N-]1	REAL250004618196	1	38	-1.0	-37.60	303.23	4.09	-33.51
CCCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004618197	0	46	-1.0	-34.29	324.60	5.47	-28.82
CCCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004618197	1	46	-1.0	-34.26	324.66	5.49	-28.77
CCC(CC)(NC(=O)C1=NOC(C(C)C)=C1)C1=N[N-]N=N1	REAL250004618198	0	40	-1.0	-37.34	318.79	3.94	-33.40
CCC(CC)(NC(=O)C1=NOC(C(C)C)=C1)C1=NN=N[N-]1	REAL250004618198	1	40	-1.0	-37.35	318.85	3.95	-33.40
CCC(C)C(O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618199	0	41	-1.0	-33.66	304.38	1.26	-32.40
CCC(C)C(O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618199	1	41	-1.0	-33.70	304.44	1.27	-32.43
CCC(CC)(NC(=O)C1CC(=O)C1)C1=N[N-]N=N1	REAL250004618200	0	34	-1.0	-35.32	269.94	2.50	-32.82
CCC(CC)(NC(=O)C1CC(=O)C1)C1=NN=N[N-]1	REAL250004618200	1	34	-1.0	-35.31	270.01	2.51	-32.80
CCC(CC)(NC(=O)C1COCCN1C)C1=N[N-]N=N1	REAL250004618201	0	41	-1.0	-34.78	307.14	-0.20	-34.98
CCC(CC)(NC(=O)C1COCCN1C)C1=NN=N[N-]1	REAL250004618201	1	41	-1.0	-34.77	307.21	-0.19	-34.96
CCC(CC)(NC(=O)C1=CN=CO1)C1=NN=N[N-]1	REAL250004618202	0	31	-1.0	-36.23	254.93	-0.84	-37.07
CCC(CC)(NC(=O)C1=CN=CO1)C1=N[N-]N=N1	REAL250004618202	1	31	-1.0	-36.21	254.87	-0.86	-37.07
CCC(CC)(NC(=O)C1=CC=CN1C(C)C)C1=N[N-]N=N1	REAL250004618203	0	42	-1.0	-36.69	321.47	5.30	-31.39
CCC(CC)(NC(=O)C1=CC=CN1C(C)C)C1=NN=N[N-]1	REAL250004618203	1	42	-1.0	-36.71	321.53	5.32	-31.39
CCC(CC)(NC(=O)C1CCC(=O)C(C)C1)C1=N[N-]N=N1	REAL250004618204	0	43	-1.0	-36.52	323.98	4.45	-32.07
CCC(CC)(NC(=O)C1CCC(=O)C(C)C1)C1=NN=N[N-]1	REAL250004618204	1	43	-1.0	-36.50	324.05	4.47	-32.03
CCC(CC)(NC(=O)C1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL250004618205	0	38	-1.0	-40.20	300.58	4.88	-35.32
CCC(CC)(NC(=O)C1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL250004618205	1	38	-1.0	-40.18	300.52	4.88	-35.30
CCC(CC)(NC(=O)C1CCC(=O)CC1C)C1=N[N-]N=N1	REAL250004618206	0	43	-1.0	-36.79	323.91	4.18	-32.61
CCC(CC)(NC(=O)C1CCC(=O)CC1C)C1=NN=N[N-]1	REAL250004618206	1	43	-1.0	-36.80	323.97	4.19	-32.61
CCC(CC)(NC(=O)CC1(C)CCCCC1)C1=N[N-]N=N1	REAL250004618207	0	47	-1.0	-33.39	327.48	5.76	-27.63
CCC(CC)(NC(=O)CC1(C)CCCCC1)C1=NN=N[N-]1	REAL250004618207	1	47	-1.0	-33.43	327.53	5.76	-27.67
CCC(CC)(NC(=O)C1=CC=NN=C1C)C1=N[N-]N=N1	REAL250004618208	0	36	-1.0	-33.89	282.49	2.24	-31.65
CCC(CC)(NC(=O)C1=CC=NN=C1C)C1=NN=N[N-]1	REAL250004618208	1	36	-1.0	-33.91	282.56	2.26	-31.65
CCC(CC)(NC(=O)C1=C(C)OCCC1)C1=N[N-]N=N1	REAL250004618209	0	40	-1.0	-35.80	299.35	3.15	-32.65
CCC(CC)(NC(=O)C1=C(C)OCCC1)C1=NN=N[N-]1	REAL250004618209	1	40	-1.0	-35.80	299.40	3.14	-32.66
CCC(CC)(NC(=O)C(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004618210	0	45	-1.0	-34.55	326.90	3.47	-31.08
CCC(CC)(NC(=O)C(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004618210	1	45	-1.0	-34.55	326.96	3.48	-31.07
CCC(CC)(NC(=O)CN1CCCC1)C1=N[N-]N=N1	REAL250004618211	0	40	-1.0	-34.18	295.66	1.48	-32.70
CCC(CC)(NC(=O)CN1CCCC1)C1=NN=N[N-]1	REAL250004618211	1	40	-1.0	-34.17	295.73	1.49	-32.68
CCC(CC)(NC(=O)CN1CCOCC1)C1=N[N-]N=N1	REAL250004618212	0	41	-1.0	-34.80	306.18	0.23	-34.57
CCC(CC)(NC(=O)CN1CCOCC1)C1=NN=N[N-]1	REAL250004618212	1	41	-1.0	-34.85	306.24	0.24	-34.61
CCC(CC)(NC(=O)C1=CC=C(C)C=C1O)C1=N[N-]N=N1	REAL250004618213	0	39	-1.0	-37.46	306.09	3.48	-33.98
CCC(CC)(NC(=O)C1=CC=C(C)C=C1O)C1=NN=N[N-]1	REAL250004618213	1	39	-1.0	-37.48	306.16	3.49	-33.99
CCC(CC)(NC(=O)C1=CC=C(O)C=C1O)C1=N[N-]N=N1	REAL250004618214	0	37	-1.0	-37.70	294.86	0.10	-37.60
CCC(CC)(NC(=O)C1=CC=C(O)C=C1O)C1=NN=N[N-]1	REAL250004618214	1	37	-1.0	-37.67	294.93	0.11	-37.56
CCC(CC)(NC(=O)C1=CC(F)=CC=C1O)C1=N[N-]N=N1	REAL250004618215	0	36	-1.0	-37.04	290.31	3.00	-34.04
CCC(CC)(NC(=O)C1=CC(F)=CC=C1O)C1=NN=N[N-]1	REAL250004618215	1	36	-1.0	-36.97	290.37	3.00	-33.97
CCC(CC)(NC(=O)CC(C)SC)C1=N[N-]N=N1	REAL250004618216	0	38	-1.0	-36.15	301.04	3.93	-32.22
CCC(CC)(NC(=O)CC(C)SC)C1=NN=N[N-]1	REAL250004618216	1	38	-1.0	-36.12	301.10	3.95	-32.17
CCC(CC)(NC(=O)C1=CC=CC(=O)N1C)C1=N[N-]N=N1	REAL250004618217	0	38	-1.0	-35.58	294.21	3.21	-32.37
CCC(CC)(NC(=O)C1=CC=CC(=O)N1C)C1=NN=N[N-]1	REAL250004618217	1	38	-1.0	-35.59	294.27	3.23	-32.36
CCC(CC)(NC(=O)C1(NC(N)=O)CC1)C1=N[N-]N=N1	REAL250004618218	0	38	-1.0	-40.73	303.77	-1.60	-42.33
CCC(CC)(NC(=O)C1(NC(N)=O)CC1)C1=NN=N[N-]1	REAL250004618218	1	38	-1.0	-40.71	303.84	-1.59	-42.30
CCC(CC)(NC(=O)CN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004618219	0	38	-1.0	-45.95	308.31	3.68	-42.27
CCC(CC)(NC(=O)CN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004618219	1	38	-1.0	-45.99	308.38	3.69	-42.30
CCCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=N1	REAL250004618220	0	40	-1.0	-41.10	320.06	2.40	-38.70
CCCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=N1	REAL250004618220	1	40	-1.0	-41.11	319.99	2.38	-38.73
CCC(CC)(NC(=O)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL250004618221	0	38	-1.0	-33.29	298.32	5.17	-28.12
CCC(CC)(NC(=O)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL250004618221	1	38	-1.0	-33.30	298.38	5.18	-28.12
CCC(SC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618222	0	38	-1.0	-35.33	294.27	4.13	-31.20
CCC(SC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618222	1	38	-1.0	-35.28	294.33	4.14	-31.14
CCC(CC)(NC(=O)C(C)N1C=CC=C1)C1=N[N-]N=N1	REAL250004618223	0	39	-1.0	-34.90	303.80	4.86	-30.04
CCC(CC)(NC(=O)C(C)N1C=CC=C1)C1=NN=N[N-]1	REAL250004618223	1	39	-1.0	-34.89	303.86	4.88	-30.01
CCN(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CC1	REAL250004618224	1	43	-1.0	-34.36	321.49	2.82	-31.54
CCN(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CC1	REAL250004618224	1	43	-1.0	-34.40	321.56	2.83	-31.57
CCC(CC)(NC(=O)C1=NN=CN1)C1=N[N-]N=N1	REAL250004618225	0	31	-1.0	-40.05	252.90	1.98	-38.07
CCC(CC)(NC(=O)C1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL250004618226	0	38	-1.0	-38.93	302.47	5.00	-33.93
CCC(CC)(NC(=O)C1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL250004618226	1	38	-1.0	-38.88	302.53	5.01	-33.87
CCC(CC)(NC(=O)CCC(C)(C)C(C)=O)C1=N[N-]N=N1	REAL250004618227	0	45	-1.0	-40.88	336.20	4.32	-36.56
CCC(CC)(NC(=O)CCC(C)(C)C(C)=O)C1=NN=N[N-]1	REAL250004618227	1	45	-1.0	-40.86	336.26	4.33	-36.53
C=CC(=O)NCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618228	0	39	-1.0	-42.08	313.43	0.98	-41.10
C=CC(=O)NCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618228	1	39	-1.0	-42.06	313.50	1.00	-41.06
CCC(CC)(NC(=O)COC1(C)CCC1)C1=N[N-]N=N1	REAL250004618229	0	42	-1.0	-35.97	316.89	4.23	-31.74
CCC(CC)(NC(=O)COC1(C)CCC1)C1=NN=N[N-]1	REAL250004618229	1	42	-1.0	-35.96	316.95	4.23	-31.73
CCC(CC)(NC(=O)C1CCCCO1)C1=N[N-]N=N1	REAL250004618230	0	39	-1.0	-35.84	294.43	3.36	-32.48
CCC(CC)(NC(=O)C1CCCCO1)C1=NN=N[N-]1	REAL250004618230	1	39	-1.0	-35.86	294.49	3.38	-32.48
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004618231	0	36	-1.0	-35.04	298.72	-0.68	-35.72
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004618231	1	36	-1.0	-35.06	298.79	-0.67	-35.73
CCC(CC)(NC(=O)C1=C(C)CCC1)C1=N[N-]N=N1	REAL250004618232	0	39	-1.0	-35.62	294.03	4.72	-30.90
CCC(CC)(NC(=O)C1=C(C)CCC1)C1=NN=N[N-]1	REAL250004618232	1	39	-1.0	-35.61	294.09	4.73	-30.88
CCC(CC)(NC(=O)C1=C(C)NC(=O)C=C1)C1=N[N-]N=N1	REAL250004618233	0	38	-1.0	-37.20	296.53	2.00	-35.20
CCC(CC)(NC(=O)C1=C(C)NC(=O)C=C1)C1=NN=N[N-]1	REAL250004618233	1	38	-1.0	-37.21	296.60	2.01	-35.20
CCC(CC)(NC(=O)C1NN=C(C)C1=O)C1=N[N-]N=N1	REAL250004618234	0	36	-1.0	-36.94	291.16	-0.12	-37.06
CCC(CC)(NC(=O)C1NN=C(C)C1=O)C1=NN=N[N-]1	REAL250004618234	1	36	-1.0	-36.91	291.23	-0.10	-37.01
CCC(C)OCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618235	0	41	-1.0	-36.08	316.10	3.85	-32.23
CCC(C)OCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618235	1	41	-1.0	-36.10	316.16	3.86	-32.24
CCC(CC)(NC(=O)CC(O)C(C)C)C1=N[N-]N=N1	REAL250004618236	0	41	-1.0	-36.48	307.09	1.91	-34.57
CCC(CC)(NC(=O)CC(O)C(C)C)C1=NN=N[N-]1	REAL250004618236	1	41	-1.0	-36.49	307.16	1.93	-34.56
CCC(CC)(NC(=O)CC1COC(=O)C1)C1=N[N-]N=N1	REAL250004618238	0	38	-1.0	-38.26	297.52	3.27	-34.99
CCC(CC)(NC(=O)CC1COC(=O)C1)C1=NN=N[N-]1	REAL250004618238	1	38	-1.0	-38.25	297.58	3.29	-34.96
CCC(CC)(NC(=O)C1=CC(C)=NC=N1)C1=N[N-]N=N1	REAL250004618239	0	36	-1.0	-36.64	289.80	3.13	-33.51
CCC(CC)(NC(=O)C1=CC(C)=NC=N1)C1=NN=N[N-]1	REAL250004618239	1	36	-1.0	-36.60	289.87	3.14	-33.46
CCC(CC)(NC(=O)CC1=CC=CO1)C1=N[N-]N=N1	REAL250004618240	0	35	-1.0	-36.85	280.47	3.37	-33.48
CCC(CC)(NC(=O)CC1=CC=CO1)C1=NN=N[N-]1	REAL250004618240	1	35	-1.0	-36.86	280.53	3.37	-33.49
CCC(CC)(NC(=O)C1=CC2=C(C=CO2)N1)C1=NN=N[N-]1	REAL250004618241	0	36	-1.0	-36.48	289.31	2.56	-33.92
CCC(CC)(NC(=O)C1=CC2=C(C=CO2)N1)C1=N[N-]N=N1	REAL250004618241	1	36	-1.0	-36.49	289.24	2.56	-33.93
CCCC(O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618242	0	41	-1.0	-36.90	314.15	1.96	-34.94
CCCC(O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618242	1	41	-1.0	-36.94	314.22	1.97	-34.97
CCC(CC)(NC(=O)C1=CC2=CN=CN2C=C1)C1=N[N-]N=N1	REAL250004618243	0	38	-1.0	-37.16	302.27	5.99	-31.17
CCC(CC)(NC(=O)C1=CC2=CN=CN2C=C1)C1=NN=N[N-]1	REAL250004618243	1	38	-1.0	-37.16	302.34	5.99	-31.17
CCC(CC)(NC(=O)C1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL250004618244	0	37	-1.0	-39.11	303.32	2.97	-36.14
CCC(CC)(NC(=O)C1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL250004618244	1	37	-1.0	-39.12	303.39	2.98	-36.14
CCC(CC)(NC(=O)C1CC1(C)C)C1=N[N-]N=N1	REAL250004618245	0	38	-1.0	-34.46	287.60	4.13	-30.33
CCC(CC)(NC(=O)C1CC1(C)C)C1=NN=N[N-]1	REAL250004618245	1	38	-1.0	-34.47	287.66	4.14	-30.33
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)SC=N1	REAL250004618246	0	37	-1.0	-35.04	301.51	2.91	-32.13
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)SC=N1	REAL250004618246	1	37	-1.0	-35.02	301.57	2.93	-32.09
CCC(CC)(NC(=O)C1=CC=C(C#N)N1)C1=N[N-]N=N1	REAL250004618247	0	34	-1.0	-34.43	283.46	2.66	-31.77
CCC(CC)(NC(=O)C1=CC=C(C#N)N1)C1=NN=N[N-]1	REAL250004618247	1	34	-1.0	-34.41	283.53	2.65	-31.76
CCC(CC)(NC(=O)C1=C2N=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004618248	0	38	-1.0	-45.73	301.10	4.25	-41.48
CCC(CC)(NC(=O)C1=C2N=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004618248	1	38	-1.0	-45.71	301.03	4.24	-41.47
CCOC=C(C#N)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618249	0	37	-1.0	-42.55	306.11	2.84	-39.71
CCOC=C(C#N)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618249	1	37	-1.0	-42.53	306.17	2.85	-39.68
CCC(CC)(NC(=O)CCCN1C=CC=C1)C1=N[N-]N=N1	REAL250004618250	0	42	-1.0	-37.67	329.18	5.80	-31.87
CCC(CC)(NC(=O)CCCN1C=CC=C1)C1=NN=N[N-]1	REAL250004618250	1	42	-1.0	-37.70	329.25	5.81	-31.89
CCC(CC)(NC(=O)COCC(F)(F)F)C1=N[N-]N=N1	REAL250004618251	0	35	-1.0	-38.36	294.63	2.77	-35.59
CCC(CC)(NC(=O)COCC(F)(F)F)C1=NN=N[N-]1	REAL250004618251	1	35	-1.0	-38.43	294.70	2.78	-35.65
CCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CO1	REAL250004618252	0	37	-1.0	-38.11	297.54	0.67	-37.44
CCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CO1	REAL250004618252	1	37	-1.0	-38.19	297.60	0.67	-37.52
CCC(CC)(NC(=O)CCCC(=O)OC)C1=N[N-]N=N1	REAL250004618254	0	40	-1.0	-40.59	317.44	3.71	-36.88
CCC(CC)(NC(=O)CCCC(=O)OC)C1=NN=N[N-]1	REAL250004618254	1	40	-1.0	-40.59	317.51	3.73	-36.86
CCC(CC)(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004618255	0	34	-1.0	-35.83	278.75	2.92	-32.91
CCC(CC)(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004618255	1	34	-1.0	-35.83	278.68	2.91	-32.92
CCC(C)=C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618256	0	41	-1.0	-35.00	303.97	4.79	-30.21
CCC(C)=C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618256	1	41	-1.0	-34.95	304.04	4.81	-30.14
CCC(CC)(NC(=O)CCCCO)C1=N[N-]N=N1	REAL250004618257	0	38	-1.0	-35.96	294.90	0.34	-35.62
CCC(CC)(NC(=O)CCCCO)C1=NN=N[N-]1	REAL250004618257	1	38	-1.0	-35.93	294.97	0.35	-35.58
CCC(CC)(NC(=O)C1=CSN=C1C)C1=N[N-]N=N1	REAL250004618258	0	34	-1.0	-32.94	278.17	2.69	-30.25
CCC(CC)(NC(=O)C1=CSN=C1C)C1=NN=N[N-]1	REAL250004618258	1	34	-1.0	-32.93	278.23	2.71	-30.22
CCC(CC)(NC(=O)C1CCCCS1)C1=N[N-]N=N1	REAL250004618259	0	39	-1.0	-35.79	303.46	4.41	-31.38
CCC(CC)(NC(=O)C1CCCCS1)C1=NN=N[N-]1	REAL250004618259	1	39	-1.0	-35.76	303.52	4.43	-31.33
CCC(CC)(NC(=O)CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004618260	0	39	-1.0	-42.70	308.17	2.70	-40.00
CCC(CC)(NC(=O)CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004618260	1	39	-1.0	-42.69	308.24	2.71	-39.98
C#CCNC(=O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618261	0	37	-1.0	-42.42	303.83	2.35	-40.07
C#CCNC(=O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618261	1	37	-1.0	-42.44	303.90	2.36	-40.08
CCC(CC)(NC(=O)C1CCCC1C)C1=N[N-]N=N1	REAL250004618262	0	41	-1.0	-34.46	293.78	4.27	-30.19
CCC(CC)(NC(=O)C1CCCC1C)C1=NN=N[N-]1	REAL250004618262	1	41	-1.0	-34.41	293.85	4.28	-30.13
CCC(CC)(NC(=O)C1CCOC1C)C1=N[N-]N=N1	REAL250004618263	0	39	-1.0	-35.15	285.93	1.85	-33.30
CCC(CC)(NC(=O)C1CCOC1C)C1=NN=N[N-]1	REAL250004618263	1	39	-1.0	-35.12	285.99	1.86	-33.26
CCC(C)CCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618264	0	49	-1.0	-34.24	362.27	6.41	-27.83
CCC(C)CCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618264	1	49	-1.0	-34.27	362.34	6.42	-27.85
CCC(CC)(NC(=O)COCCCOC)C1=N[N-]N=N1	REAL250004618265	0	42	-1.0	-38.05	330.23	2.19	-35.86
CCC(CC)(NC(=O)COCCCOC)C1=NN=N[N-]1	REAL250004618265	1	42	-1.0	-38.06	330.30	2.20	-35.86
CCCCCC(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618266	0	49	-1.0	-34.32	363.65	6.31	-28.01
CCCCCC(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618266	1	49	-1.0	-34.32	363.72	6.32	-28.00
CCC(CC)(NC(=O)C1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004618267	0	35	-1.0	-36.83	294.06	2.56	-34.27
CCC(CC)(NC(=O)C1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004618267	1	35	-1.0	-36.80	294.00	2.55	-34.25
CCC(CC)(NC(=O)C1CCC=CO1)C1=N[N-]N=N1	REAL250004618268	0	37	-1.0	-35.15	286.19	3.63	-31.52
CCC(CC)(NC(=O)C1CCC=CO1)C1=NN=N[N-]1	REAL250004618268	1	37	-1.0	-35.14	286.25	3.64	-31.50
CCC(CC)(NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004618269	0	41	-1.0	-35.94	309.36	3.43	-32.51
CCC(CC)(NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004618269	1	41	-1.0	-35.93	309.43	3.45	-32.48
CCC(CC)(NC(=O)C1=CNC(C#N)=C1)C1=N[N-]N=N1	REAL250004618270	0	34	-1.0	-36.99	283.19	2.70	-34.29
CCC(CC)(NC(=O)C1=CNC(C#N)=C1)C1=NN=N[N-]1	REAL250004618270	1	34	-1.0	-37.01	283.25	2.70	-34.31
CCC(CC)(NC(=O)C(C)CCCOC)C1=N[N-]N=N1	REAL250004618271	0	44	-1.0	-35.03	333.33	3.27	-31.76
CCC(CC)(NC(=O)C(C)CCCOC)C1=NN=N[N-]1	REAL250004618271	1	44	-1.0	-35.05	333.39	3.29	-31.76
CCC1=CC=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618272	0	40	-1.0	-38.77	316.05	4.15	-34.62
CCC1=CC=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618272	1	40	-1.0	-38.78	316.12	4.17	-34.61
CCC(CC)(NC(=O)C=C1CCSCC1)C1=N[N-]N=N1	REAL250004618273	0	40	-1.0	-34.38	311.47	4.94	-29.44
CCC(CC)(NC(=O)C=C1CCSCC1)C1=NN=N[N-]1	REAL250004618273	1	40	-1.0	-34.37	311.54	4.96	-29.41
CCCC(CCC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618274	0	49	-1.0	-34.11	354.03	6.20	-27.91
CCCC(CCC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618274	1	49	-1.0	-34.10	354.09	6.21	-27.89
CCC(CC)(NC(=O)CCCC(F)(F)F)C1=N[N-]N=N1	REAL250004618275	0	37	-1.0	-36.50	301.61	4.07	-32.43
CCC(CC)(NC(=O)CCCC(F)(F)F)C1=NN=N[N-]1	REAL250004618275	1	37	-1.0	-36.45	301.68	4.08	-32.37
CCCC(=CC(=O)NC(CC)(CC)C1=N[N-]N=N1)CCC	REAL250004618276	0	47	-1.0	-34.49	353.22	6.48	-28.01
CCCC(=CC(=O)NC(CC)(CC)C1=NN=N[N-]1)CCC	REAL250004618276	1	47	-1.0	-34.52	353.29	6.50	-28.02
CCC(CC)(NC(=O)C1=CC=C(O)C(C)=C1)C1=N[N-]N=N1	REAL250004618277	0	39	-1.0	-36.02	306.08	2.46	-33.56
CCC(CC)(NC(=O)C1=CC=C(O)C(C)=C1)C1=NN=N[N-]1	REAL250004618277	1	39	-1.0	-36.01	306.15	2.47	-33.54
CCC(CC)(NC(=O)C1=CC=C2C=CNC2=N1)C1=NN=N[N-]1	REAL250004618278	0	38	-1.0	-41.31	304.34	3.80	-37.51
CCC(CC)(NC(=O)C1=CC=C2C=CNC2=N1)C1=N[N-]N=N1	REAL250004618278	1	38	-1.0	-41.29	304.27	3.79	-37.50
CCC(CC)(NC(=O)C1=CC(C)=CC(O)=C1)C1=N[N-]N=N1	REAL250004618279	0	39	-1.0	-37.12	308.28	2.26	-34.86
CCC(CC)(NC(=O)C1=CC(C)=CC(O)=C1)C1=NN=N[N-]1	REAL250004618279	1	39	-1.0	-37.12	308.35	2.27	-34.85
CCC(CC)(NC(=O)CCC(C)SC)C1=N[N-]N=N1	REAL250004618280	0	41	-1.0	-35.36	322.96	4.67	-30.69
CCC(CC)(NC(=O)CCC(C)SC)C1=NN=N[N-]1	REAL250004618280	1	41	-1.0	-35.36	323.02	4.69	-30.67
C#CCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618281	0	39	-1.0	-35.57	310.76	4.98	-30.59
C#CCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618281	1	39	-1.0	-35.56	310.83	5.00	-30.56
CCC(CC)(NC(=O)C1=CC=C2C=CC=NN21)C1=NN=N[N-]1	REAL250004618282	0	38	-1.0	-44.70	302.11	4.59	-40.11
CCC(CC)(NC(=O)C1=CC=C2C=CC=NN21)C1=N[N-]N=N1	REAL250004618282	1	38	-1.0	-44.73	302.05	4.58	-40.15
CCC(CC)(NC(=O)C1=CC=C(O)C=C1F)C1=N[N-]N=N1	REAL250004618283	0	36	-1.0	-37.55	290.57	1.79	-35.76
CCC(CC)(NC(=O)C1=CC=C(O)C=C1F)C1=NN=N[N-]1	REAL250004618283	1	36	-1.0	-37.57	290.64	1.79	-35.78
CCC(CC)(NC(=O)C1=CN=C(C)N=C1C)C1=N[N-]N=N1	REAL250004618284	0	39	-1.0	-33.70	303.32	3.18	-30.52
CCC(CC)(NC(=O)C1=CN=C(C)N=C1C)C1=NN=N[N-]1	REAL250004618284	1	39	-1.0	-33.71	303.38	3.18	-30.53
CCC1=NN(C)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618285	0	41	-1.0	-36.92	320.48	3.51	-33.41
CCC1=NN(C)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618285	1	41	-1.0	-36.94	320.54	3.53	-33.41
CCC(CC)(NC(=O)C1=CC2=C(CCC2)N1)C1=N[N-]N=N1	REAL250004618286	0	40	-1.0	-36.19	308.58	4.08	-32.11
CCC(CC)(NC(=O)C1=CC2=C(CCC2)N1)C1=NN=N[N-]1	REAL250004618286	1	40	-1.0	-36.25	308.65	4.09	-32.16
CCC(CC)(NC(=O)CN(C)C(=O)COC)C1=N[N-]N=N1	REAL250004618287	0	42	-1.0	-44.99	331.10	2.37	-42.62
CCC(CC)(NC(=O)CN(C)C(=O)COC)C1=NN=N[N-]1	REAL250004618287	1	42	-1.0	-44.97	331.17	2.38	-42.59
CCC(CC)(NC(=O)C1SCCS1)C1=N[N-]N=N1	REAL250004618288	0	34	-1.0	-36.97	284.18	3.82	-33.15
CCC(CC)(NC(=O)C1SCCS1)C1=NN=N[N-]1	REAL250004618288	1	34	-1.0	-36.96	284.25	3.83	-33.13
CCC(CC)(NC(=O)C1=CC(C)=NN=C1C)C1=N[N-]N=N1	REAL250004618289	0	39	-1.0	-33.61	304.14	2.85	-30.76
CCC(CC)(NC(=O)C1=CC(C)=NN=C1C)C1=NN=N[N-]1	REAL250004618289	1	39	-1.0	-33.67	304.21	2.86	-30.81
CCC(CC)(NC(=O)CC1=NC=C(C)S1)C1=N[N-]N=N1	REAL250004618290	0	37	-1.0	-37.22	307.20	3.02	-34.20
CCC(CC)(NC(=O)CC1=NC=C(C)S1)C1=NN=N[N-]1	REAL250004618290	1	37	-1.0	-37.27	307.26	3.03	-34.24
CCC(CC)(NC(=O)C1CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004618291	0	47	-1.0	-34.00	335.64	5.57	-28.43
CCC(CC)(NC(=O)C1CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004618291	1	47	-1.0	-34.03	335.70	5.58	-28.45
CCC(CC)(NC(=O)C1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL250004618292	0	34	-1.0	-40.60	279.56	2.68	-37.92
CCC(CC)(NC(=O)C1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL250004618292	1	34	-1.0	-40.61	279.49	2.67	-37.94
CCC(CC)(NC(=O)C1=CC(=O)NC(C)=C1)C1=N[N-]N=N1	REAL250004618293	0	38	-1.0	-39.08	302.29	1.93	-37.15
CCC(CC)(NC(=O)C1=CC(=O)NC(C)=C1)C1=NN=N[N-]1	REAL250004618293	1	38	-1.0	-39.09	302.36	1.94	-37.15
CCC(CC)(NC(=O)C(C)N1C=NC=N1)C1=NN=N[N-]1	REAL250004618294	0	37	-1.0	-38.08	294.13	4.32	-33.76
CCC(CC)(NC(=O)C(C)N1C=NC=N1)C1=N[N-]N=N1	REAL250004618294	1	37	-1.0	-38.08	294.06	4.30	-33.78
CCC(CC)(NC(=O)[C@@H]1CCCO1)C1=N[N-]N=N1	REAL250004618295	0	36	-1.0	-36.46	275.92	2.57	-33.89
CCC(CC)(NC(=O)[C@@H]1CCCO1)C1=NN=N[N-]1	REAL250004618295	1	36	-1.0	-36.48	275.99	2.58	-33.90
CCC(CC)(NC(=O)[C@H]1CCCO1)C1=N[N-]N=N1	REAL250004618296	0	36	-1.0	-36.19	276.12	2.69	-33.50
CCC(CC)(NC(=O)[C@H]1CCCO1)C1=NN=N[N-]1	REAL250004618296	1	36	-1.0	-36.17	276.18	2.70	-33.47
CCC(CC)(NC(=O)[C@H](C)NC(=O)OC)C1=N[N-]N=N1	REAL250004618297	0	39	-1.0	-35.20	309.53	0.11	-35.09
CCC(CC)(NC(=O)[C@H](C)NC(=O)OC)C1=NN=N[N-]1	REAL250004618297	1	39	-1.0	-35.12	309.60	0.13	-34.99
CCC(CC)(NC(=O)C1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL250004618298	0	39	-1.0	-41.93	318.09	5.62	-36.31
CCC(CC)(NC(=O)C1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL250004618298	1	39	-1.0	-41.93	318.15	5.63	-36.30
C#CCOCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618299	0	37	-1.0	-35.83	301.80	2.72	-33.11
C#CCOCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618299	1	37	-1.0	-35.80	301.86	2.73	-33.07
C=C(C)C(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)OCC	REAL250004618300	0	45	-1.0	-35.38	348.13	4.77	-30.61
C=C(C)C(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)OCC	REAL250004618300	1	45	-1.0	-35.38	348.19	4.79	-30.59
CCC(CC)(NC(=O)CC(C)(O)C1CC1)C1=N[N-]N=N1	REAL250004618301	0	42	-1.0	-33.45	310.71	2.85	-30.60
CCC(CC)(NC(=O)CC(C)(O)C1CC1)C1=NN=N[N-]1	REAL250004618301	1	42	-1.0	-33.44	310.78	2.86	-30.58
CCC(CC)C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618302	0	46	-1.0	-33.61	324.65	5.27	-28.34
CCC(CC)C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618302	1	46	-1.0	-33.65	324.72	5.28	-28.37
CCC(CC)(NC(=O)C1CCOC(C)C1)C1=N[N-]N=N1	REAL250004618303	0	42	-1.0	-34.60	313.92	3.03	-31.57
CCC(CC)(NC(=O)C1CCOC(C)C1)C1=NN=N[N-]1	REAL250004618303	1	42	-1.0	-34.61	313.99	3.05	-31.56
CCC(CC)(NC(=O)C1CCC(C)C1)C1=N[N-]N=N1	REAL250004618304	0	41	-1.0	-34.23	303.37	4.62	-29.61
CCC(CC)(NC(=O)C1CCC(C)C1)C1=NN=N[N-]1	REAL250004618304	1	41	-1.0	-34.23	303.43	4.63	-29.60
CCC(CC)(NC(=O)C1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004618305	0	36	-1.0	-36.43	292.24	1.80	-34.63
CCC(CC)(NC(=O)C1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004618305	1	36	-1.0	-36.43	292.31	1.80	-34.63
CCC(CC)(NC(=O)C1=CN=CN=C1)C1=NN=N[N-]1	REAL250004618306	0	33	-1.0	-33.55	265.07	2.60	-30.95
CCC(CC)(NC(=O)C1=CN=CN=C1)C1=N[N-]N=N1	REAL250004618306	1	33	-1.0	-33.53	265.01	2.60	-30.93
CCC(CC)(NC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL250004618307	0	35	-1.0	-41.00	281.92	1.12	-39.88
CCC(CC)(NC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL250004618307	1	35	-1.0	-41.01	281.99	1.13	-39.88
CCC(CC)(NC(=O)C1CC12CCOC2)C1=N[N-]N=N1	REAL250004618308	0	40	-1.0	-34.22	302.46	2.97	-31.25
CCC(CC)(NC(=O)C1CC12CCOC2)C1=NN=N[N-]1	REAL250004618308	1	40	-1.0	-34.21	302.52	2.97	-31.24
CCC(CC)(NC(=O)C1=C(N)N(C)N=C1)C1=NN=N[N-]1	REAL250004618309	0	37	-1.0	-38.20	290.20	1.31	-36.89
CCC(CC)(NC(=O)C1=C(N)N(C)N=C1)C1=N[N-]N=N1	REAL250004618309	1	37	-1.0	-38.20	290.13	1.30	-36.90
CCCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CO1	REAL250004618310	0	40	-1.0	-38.11	319.84	1.32	-36.79
CCCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CO1	REAL250004618310	1	40	-1.0	-38.09	319.90	1.33	-36.76
CCC(CC)(NC(=O)C1=CCOCC1)C1=N[N-]N=N1	REAL250004618311	0	37	-1.0	-35.50	283.20	2.26	-33.24
CCC(CC)(NC(=O)C1=CCOCC1)C1=NN=N[N-]1	REAL250004618311	1	37	-1.0	-35.50	283.26	2.27	-33.23
CCC(CC)(NC(=O)C1=COC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004618312	0	38	-1.0	-38.64	308.33	1.36	-37.28
CCC(CC)(NC(=O)C1=COC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004618312	1	38	-1.0	-38.67	308.39	1.38	-37.29
CCC(CC)(NC(=O)C1=CSC(=O)N1)C1=N[N-]N=N1	REAL250004618313	0	32	-1.0	-32.73	271.01	0.37	-32.36
CCC(CC)(NC(=O)C1=CSC(=O)N1)C1=NN=N[N-]1	REAL250004618313	1	32	-1.0	-32.75	271.07	0.37	-32.38
CCC(CC)(NC(=O)C(F)(F)C(C)(C)O)C1=N[N-]N=N1	REAL250004618314	0	38	-1.0	-32.66	295.20	1.49	-31.17
CCC(CC)(NC(=O)C(F)(F)C(C)(C)O)C1=NN=N[N-]1	REAL250004618314	1	38	-1.0	-32.68	295.26	1.50	-31.18
CCC(CC)(NC(=O)C1=NC=C(C)C=C1O)C1=N[N-]N=N1	REAL250004618315	0	38	-1.0	-40.54	303.37	1.75	-38.79
CCC(CC)(NC(=O)C1=NC=C(C)C=C1O)C1=NN=N[N-]1	REAL250004618315	1	38	-1.0	-40.54	303.43	1.77	-38.77
CC#CCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618316	0	39	-1.0	-37.20	311.09	5.16	-32.04
CC#CCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618316	1	39	-1.0	-37.21	311.15	5.17	-32.04
CCC(CC)(NC(=O)C(C)CCC(C)(C)C)C1=N[N-]N=N1	REAL250004618317	0	49	-1.0	-34.12	354.89	5.90	-28.22
CCC(CC)(NC(=O)C(C)CCC(C)(C)C)C1=NN=N[N-]1	REAL250004618317	1	49	-1.0	-34.10	354.96	5.91	-28.19
CCC(CC)(NC(=O)C1C=CCCC1)C1=N[N-]N=N1	REAL250004618318	0	39	-1.0	-34.57	293.47	4.60	-29.97
CCC(CC)(NC(=O)C1C=CCCC1)C1=NN=N[N-]1	REAL250004618318	1	39	-1.0	-34.59	293.54	4.62	-29.97
CCC(CC)(NC(=O)C1=CC(OC)=NO1)C1=NN=N[N-]1	REAL250004618319	0	35	-1.0	-33.74	287.59	-0.12	-33.86
CCC(CC)(NC(=O)C1=CC(OC)=NO1)C1=N[N-]N=N1	REAL250004618319	1	35	-1.0	-33.73	287.52	-0.14	-33.87
CCOC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CO1	REAL250004618320	0	38	-1.0	-39.44	309.71	-0.98	-40.42
CCOC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CO1	REAL250004618320	1	38	-1.0	-39.47	309.65	-0.99	-40.46
CCC(CC)(NC(=O)C1=COC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004618321	0	36	-1.0	-38.58	296.57	-0.63	-39.21
CCC(CC)(NC(=O)C1=COC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004618321	1	36	-1.0	-38.61	296.63	-0.63	-39.24
CCC(CC)(NC(=O)CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004618322	0	39	-1.0	-37.75	311.52	2.26	-35.49
CCC(CC)(NC(=O)CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004618322	1	39	-1.0	-37.76	311.59	2.28	-35.48
CCNC(=O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618323	0	38	-1.0	-42.83	298.06	1.85	-40.98
CCNC(=O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618323	1	38	-1.0	-42.83	298.12	1.86	-40.97
CCC(CC)(NC(=O)CCCC(=O)NC)C1=N[N-]N=N1	REAL250004618324	0	41	-1.0	-44.01	321.60	1.23	-42.78
CCC(CC)(NC(=O)CCCC(=O)NC)C1=NN=N[N-]1	REAL250004618324	1	41	-1.0	-44.01	321.66	1.25	-42.76
CCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NN1C	REAL250004618325	0	41	-1.0	-40.83	322.85	3.45	-37.38
CCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NN1C	REAL250004618325	1	41	-1.0	-40.88	322.91	3.47	-37.41
C#CCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618326	0	42	-1.0	-36.39	332.26	5.76	-30.63
C#CCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618326	1	42	-1.0	-36.38	332.32	5.78	-30.60
CCC(CC)(NC(=O)C1CC(C)CC(C)C1)C1=N[N-]N=N1	REAL250004618327	0	47	-1.0	-33.96	336.30	5.65	-28.31
CCC(CC)(NC(=O)C1CC(C)CC(C)C1)C1=NN=N[N-]1	REAL250004618327	1	47	-1.0	-33.99	336.37	5.66	-28.33
CCC(CC)(NC(=O)C1CCC(C)(C)C1)C1=N[N-]N=N1	REAL250004618328	0	44	-1.0	-34.10	324.11	5.15	-28.95
CCC(CC)(NC(=O)C1CCC(C)(C)C1)C1=NN=N[N-]1	REAL250004618328	1	44	-1.0	-34.16	324.17	5.17	-28.99
CCCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL250004618329	0	41	-1.0	-37.45	323.17	3.94	-33.51
CCCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL250004618329	1	41	-1.0	-37.42	323.11	3.94	-33.48
CCC(CC)(NC(=O)CCC(C)OC)C1=N[N-]N=N1	REAL250004618330	0	41	-1.0	-35.25	315.20	2.75	-32.50
CCC(CC)(NC(=O)CCC(C)OC)C1=NN=N[N-]1	REAL250004618330	1	41	-1.0	-35.26	315.26	2.76	-32.50
CCC(CC)(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618331	0	41	-1.0	-35.21	316.42	5.66	-29.55
CCC(CC)(NC(=O)[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618331	1	41	-1.0	-35.19	316.49	5.67	-29.52
CCC(CC)(NC(=O)[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618332	0	41	-1.0	-35.25	316.42	5.67	-29.58
CCC(CC)(NC(=O)[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618332	1	41	-1.0	-35.23	316.49	5.68	-29.55
CCC1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CCO1	REAL250004618333	0	45	-1.0	-34.30	324.12	3.62	-30.68
CCC1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CCO1	REAL250004618333	1	45	-1.0	-34.30	324.18	3.63	-30.67
CCC(C)C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618334	0	43	-1.0	-33.99	312.23	4.64	-29.35
CCC(C)C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618334	1	43	-1.0	-34.04	312.30	4.65	-29.39
CCC(CC)(NC(=O)CCCOC(C)C)C1=N[N-]N=N1	REAL250004618335	0	44	-1.0	-36.14	337.78	3.68	-32.46
CCC(CC)(NC(=O)CCCOC(C)C)C1=NN=N[N-]1	REAL250004618335	1	44	-1.0	-36.14	337.85	3.70	-32.44
CCC(CC)(NC(=O)C(=O)NCC(F)F)C1=N[N-]N=N1	REAL250004618336	0	35	-1.0	-37.42	292.01	0.13	-37.29
CCC(CC)(NC(=O)C(=O)NCC(F)F)C1=NN=N[N-]1	REAL250004618336	1	35	-1.0	-37.42	292.07	0.14	-37.28
CCC(CC)(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004618337	0	42	-1.0	-34.59	321.86	6.28	-28.31
CCC(CC)(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004618337	1	42	-1.0	-34.61	321.94	6.29	-28.32
CCC(CC)(NC(=O)CC1(OC)CCC1)C1=N[N-]N=N1	REAL250004618338	0	42	-1.0	-36.37	313.70	2.99	-33.38
CCC(CC)(NC(=O)CC1(OC)CCC1)C1=NN=N[N-]1	REAL250004618338	1	42	-1.0	-36.35	313.76	3.00	-33.35
CCC(CC)(NC(=O)C1CCCOC1C)C1=N[N-]N=N1	REAL250004618339	0	42	-1.0	-36.15	302.59	3.56	-32.59
CCC(CC)(NC(=O)C1CCCOC1C)C1=NN=N[N-]1	REAL250004618339	1	42	-1.0	-36.14	302.66	3.57	-32.57
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CCCO1	REAL250004618340	0	43	-1.0	-36.04	316.62	3.72	-32.32
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CCCO1	REAL250004618340	1	43	-1.0	-36.01	316.68	3.73	-32.28
CCC(CC)(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004618341	0	34	-1.0	-40.69	281.53	3.28	-37.41
CCC(CC)(NC(=O)C1=CNN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004618341	1	34	-1.0	-40.73	281.59	3.30	-37.43
CCC(CC)(NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004618342	0	40	-1.0	-37.03	316.07	4.15	-32.88
CCC(CC)(NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004618342	1	40	-1.0	-37.06	316.14	4.17	-32.89
CCC(CC)(NC(=O)C1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004618343	0	32	-1.0	-33.07	284.07	4.08	-28.99
CCC(CC)(NC(=O)C1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004618343	1	32	-1.0	-33.11	284.14	4.08	-29.03
CCC(CC)(NC(=O)CC1(C)CC1)C1=N[N-]N=N1	REAL250004618344	0	38	-1.0	-34.08	290.61	4.28	-29.80
CCC(CC)(NC(=O)CC1(C)CC1)C1=NN=N[N-]1	REAL250004618344	1	38	-1.0	-34.06	290.67	4.29	-29.77
CCC(CC)(NC(=O)CCC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004618345	0	39	-1.0	-37.07	311.06	3.95	-33.12
CCC(CC)(NC(=O)CCC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004618345	1	39	-1.0	-37.05	311.13	3.96	-33.09
CCC(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618347	0	40	-1.0	-34.07	296.94	4.15	-29.92
CCC(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618347	1	40	-1.0	-34.05	297.00	4.17	-29.88
CCC(CC)(NC(=O)CC(C)(F)F)C1=N[N-]N=N1	REAL250004618348	0	34	-1.0	-38.39	272.38	3.10	-35.29
CCC(CC)(NC(=O)CC(C)(F)F)C1=NN=N[N-]1	REAL250004618348	1	34	-1.0	-38.35	272.45	3.12	-35.23
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(=O)OC	REAL250004618349	0	40	-1.0	-38.01	307.81	4.33	-33.68
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(=O)OC	REAL250004618349	1	40	-1.0	-38.01	307.88	4.35	-33.66
CCC(CC)(NC(=O)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004618350	0	33	-1.0	-35.51	284.82	1.28	-34.23
CCC(CC)(NC(=O)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004618350	1	33	-1.0	-35.51	284.76	1.27	-34.24
CCC(CC)(NC(=O)C1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004618351	0	32	-1.0	-33.56	284.22	3.99	-29.57
CCC(CC)(NC(=O)C1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004618351	1	32	-1.0	-33.56	284.29	4.00	-29.56
CCC(CC)(NC(=O)C1CCC(OC)CC1)C1=N[N-]N=N1	REAL250004618352	0	45	-1.0	-37.01	322.34	3.36	-33.65
CCC(CC)(NC(=O)C1CCC(OC)CC1)C1=NN=N[N-]1	REAL250004618352	1	45	-1.0	-36.98	322.41	3.38	-33.60
CCC(CC)(NC(=O)C1=CNC=C(F)C1=O)C1=N[N-]N=N1	REAL250004618353	0	35	-1.0	-59.70	284.31	2.59	-57.11
CCC(CC)(NC(=O)C1=CNC=C(F)C1=O)C1=NN=N[N-]1	REAL250004618353	1	35	-1.0	-59.69	284.36	2.59	-57.10
CCC(CC)(NC(=O)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004618354	0	37	-1.0	-39.25	296.76	1.88	-37.37
CCC(CC)(NC(=O)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004618354	1	37	-1.0	-39.24	296.69	1.86	-37.38
CCC(CC)(NC(=O)CC1OCCCO1)C1=N[N-]N=N1	REAL250004618355	0	40	-1.0	-36.45	305.81	2.42	-34.03
CCC(CC)(NC(=O)CC1OCCCO1)C1=NN=N[N-]1	REAL250004618355	1	40	-1.0	-36.46	305.88	2.44	-34.02
CCC(CC)(NC(=O)CC1OCCO1)C1=N[N-]N=N1	REAL250004618356	0	37	-1.0	-36.55	286.82	1.62	-34.93
CCC(CC)(NC(=O)CC1OCCO1)C1=NN=N[N-]1	REAL250004618356	1	37	-1.0	-36.57	286.88	1.62	-34.95
CCN1C=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL250004618357	0	41	-1.0	-39.14	324.91	3.79	-35.35
CCN1C=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL250004618357	1	41	-1.0	-39.13	324.84	3.77	-35.36
CCC(CC)(NC(=O)C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL250004618358	0	41	-1.0	-37.53	321.12	3.59	-33.94
CCC(CC)(NC(=O)C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL250004618358	1	41	-1.0	-37.53	321.05	3.57	-33.96
CCC(CC)(NC(=O)C1=COC(C)=C1)C1=N[N-]N=N1	REAL250004618359	0	35	-1.0	-35.91	280.35	3.36	-32.55
CCC(CC)(NC(=O)C1=COC(C)=C1)C1=NN=N[N-]1	REAL250004618359	1	35	-1.0	-35.94	280.42	3.37	-32.57
CCC(CC)(NC(=O)C=CC1=CC=CN1)C1=N[N-]N=N1	REAL250004618360	0	37	-1.0	-37.10	295.49	3.53	-33.57
CCC(CC)(NC(=O)C=CC1=CC=CN1)C1=NN=N[N-]1	REAL250004618360	1	37	-1.0	-37.07	295.56	3.55	-33.52
CCC(CC)(NC(=O)C1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL250004618361	0	34	-1.0	-35.04	281.27	2.81	-32.23
CCC(CC)(NC(=O)C1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL250004618361	1	34	-1.0	-35.06	281.20	2.80	-32.26
CCC(CC)(NC(=O)CCC1=CNC=N1)C1=N[N-]N=N1	REAL250004618362	0	38	-1.0	-39.81	301.20	3.46	-36.35
CCC(CC)(NC(=O)CCC1=CNC=N1)C1=NN=N[N-]1	REAL250004618362	1	38	-1.0	-39.79	301.27	3.48	-36.31
CCC(CC)(NC(=O)CCC1=CN=CN1)C1=N[N-]N=N1	REAL250004618362	1	38	-1.0	-38.24	301.27	3.44	-34.80
CCC(CC)(NC(=O)C=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004618363	0	36	-1.0	-43.08	292.22	3.38	-39.70
CCC(CC)(NC(=O)C=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004618363	1	36	-1.0	-43.08	292.29	3.40	-39.68
CCC(CC)(NC(=O)CC(C)(C)CC(C)=O)C1=N[N-]N=N1	REAL250004618364	0	45	-1.0	-39.19	329.09	4.62	-34.57
CCC(CC)(NC(=O)CC(C)(C)CC(C)=O)C1=NN=N[N-]1	REAL250004618364	1	45	-1.0	-39.17	329.16	4.64	-34.53
CCC(CC)(NC(=O)C1CN(C(C)=O)C1)C1=N[N-]N=N1	REAL250004618365	0	39	-1.0	-38.78	308.48	1.90	-36.88
CCC(CC)(NC(=O)C1CN(C(C)=O)C1)C1=NN=N[N-]1	REAL250004618365	1	39	-1.0	-38.80	308.55	1.91	-36.89
CCC(CC)(NC(=O)C(=O)NCC1CC1)C1=N[N-]N=N1	REAL250004618366	0	39	-1.0	-35.60	310.79	1.36	-34.24
CCC(CC)(NC(=O)C(=O)NCC1CC1)C1=NN=N[N-]1	REAL250004618366	1	39	-1.0	-35.59	310.85	1.37	-34.22
CC[C@H]1CC[C@H](C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL250004618367	0	47	-1.0	-33.87	340.73	5.95	-27.92
CC[C@H]1CC[C@H](C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL250004618367	1	47	-1.0	-33.86	340.79	5.96	-27.90
CCC(CC)(NC(=O)C1=CCCCC1)C1=N[N-]N=N1	REAL250004618368	0	39	-1.0	-35.36	291.85	4.67	-30.69
CCC(CC)(NC(=O)C1=CCCCC1)C1=NN=N[N-]1	REAL250004618368	1	39	-1.0	-35.31	291.91	4.68	-30.63
CCC(CC)(NC(=O)C1CC1(C)C(C)C)C1=N[N-]N=N1	REAL250004618369	0	44	-1.0	-34.51	316.65	4.94	-29.57
CCC(CC)(NC(=O)C1CC1(C)C(C)C)C1=NN=N[N-]1	REAL250004618369	1	44	-1.0	-34.47	316.72	4.95	-29.52
CCC(CC)(NC(=O)CC1=COC=C1)C1=N[N-]N=N1	REAL250004618370	0	35	-1.0	-36.67	281.23	3.08	-33.59
CCC(CC)(NC(=O)CC1=COC=C1)C1=NN=N[N-]1	REAL250004618370	1	35	-1.0	-36.68	281.30	3.09	-33.59
CCC(CC)(NC(=O)CC1=CN=CS1)C1=NN=N[N-]1	REAL250004618371	0	34	-1.0	-36.53	285.29	2.38	-34.15
CCC(CC)(NC(=O)CC1=CN=CS1)C1=N[N-]N=N1	REAL250004618371	1	34	-1.0	-36.49	285.23	2.37	-34.12
CCC(CC)(NC(=O)C1=NN(C)C(OC)=C1)C1=NN=N[N-]1	REAL250004618372	0	39	-1.0	-39.91	305.19	0.57	-39.34
CCC(CC)(NC(=O)C1=NN(C)C(OC)=C1)C1=N[N-]N=N1	REAL250004618372	1	39	-1.0	-39.94	305.13	0.56	-39.38
CCC(CC)(NC(=O)CCCCC(=O)NC)C1=N[N-]N=N1	REAL250004618373	0	44	-1.0	-40.55	343.09	2.01	-38.54
CCC(CC)(NC(=O)CCCCC(=O)NC)C1=NN=N[N-]1	REAL250004618373	1	44	-1.0	-40.50	343.16	2.03	-38.47
CCC(CC)(NC(=O)C(O)C1CCCCC1)C1=N[N-]N=N1	REAL250004618374	0	45	-1.0	-33.90	324.99	3.13	-30.77
CCC(CC)(NC(=O)C(O)C1CCCCC1)C1=NN=N[N-]1	REAL250004618374	1	45	-1.0	-33.87	325.05	3.14	-30.73
CCC(CC)(NC(=O)C1=C(C)N=NN1)C1=N[N-]N=N1	REAL250004618375	0	34	-1.0	-32.74	270.73	0.14	-32.60
CCC(CC)(NC(=O)C1=C(C)N=NN1)C1=NN=N[N-]1	REAL250004618375	1	34	-1.0	-32.72	270.80	0.15	-32.57
CCC(CC)(NC(=O)C1COC(C)C1)C1=N[N-]N=N1	REAL250004618376	0	39	-1.0	-33.89	295.35	2.22	-31.67
CCC(CC)(NC(=O)C1COC(C)C1)C1=NN=N[N-]1	REAL250004618376	1	39	-1.0	-33.90	295.42	2.23	-31.67
CCC(CC)(NC(=O)CCC1=CN=CN1C)C1=N[N-]N=N1	REAL250004618377	0	41	-1.0	-38.50	321.67	5.02	-33.48
CCC(CC)(NC(=O)CCC1=CN=CN1C)C1=NN=N[N-]1	REAL250004618377	1	41	-1.0	-38.48	321.74	5.04	-33.44
CCC(CC)(NC(=O)C(F)C(C)C)C1=N[N-]N=N1	REAL250004618378	0	37	-1.0	-34.00	284.60	3.37	-30.63
CCC(CC)(NC(=O)C(F)C(C)C)C1=NN=N[N-]1	REAL250004618378	1	37	-1.0	-33.99	284.66	3.38	-30.61
CCC(CC)(NC(=O)C1NC(=O)OC1C)C1=N[N-]N=N1	REAL250004618379	0	37	-1.0	-38.70	282.69	-0.77	-39.47
CCC(CC)(NC(=O)C1NC(=O)OC1C)C1=NN=N[N-]1	REAL250004618379	1	37	-1.0	-38.68	282.73	-0.77	-39.45
CCN1N=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618380	0	38	-1.0	-34.22	297.96	3.03	-31.19
CCN1N=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618380	1	38	-1.0	-34.19	297.90	3.02	-31.17
CCC(CC)(NC(=O)C1=CCCCCC1)C1=N[N-]N=N1	REAL250004618381	0	42	-1.0	-35.38	306.77	5.21	-30.17
CCC(CC)(NC(=O)C1=CCCCCC1)C1=NN=N[N-]1	REAL250004618381	1	42	-1.0	-35.36	306.83	5.23	-30.13
CCC(CC)(NC(=O)C1=C(O)C=CC=C1F)C1=N[N-]N=N1	REAL250004618382	0	36	-1.0	-40.16	295.39	1.60	-38.56
CCC(CC)(NC(=O)C1=C(O)C=CC=C1F)C1=NN=N[N-]1	REAL250004618382	1	36	-1.0	-40.16	295.45	1.61	-38.55
CCC(CC)(NC(=O)CC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL250004618383	0	40	-1.0	-37.02	316.01	4.10	-32.92
CCC(CC)(NC(=O)CC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL250004618383	1	40	-1.0	-37.03	316.07	4.10	-32.93
CCC(CC)(NC(=O)C1=C(C)C=CN1C)C1=N[N-]N=N1	REAL250004618384	0	39	-1.0	-37.08	305.37	4.33	-32.75
CCC(CC)(NC(=O)C1=C(C)C=CN1C)C1=NN=N[N-]1	REAL250004618384	1	39	-1.0	-37.06	305.43	4.34	-32.72
CCC(CC)(NC(=O)C1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004618385	0	39	-1.0	-41.71	303.18	2.00	-39.71
CCC(CC)(NC(=O)C1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004618385	1	39	-1.0	-41.72	303.25	2.01	-39.71
CCC(CC)(NC(=O)C1CCCC1(C)C)C1=N[N-]N=N1	REAL250004618386	0	44	-1.0	-34.51	313.35	4.78	-29.73
CCC(CC)(NC(=O)C1CCCC1(C)C)C1=NN=N[N-]1	REAL250004618386	1	44	-1.0	-34.49	313.42	4.79	-29.70
CCOC1CC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004618387	0	45	-1.0	-37.23	343.51	4.15	-33.08
CCOC1CC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004618387	1	45	-1.0	-37.20	343.58	4.16	-33.04
CCC(CC)(NC(=O)C1=CC=CC(O)=C1O)C1=N[N-]N=N1	REAL250004618388	0	37	-1.0	-37.70	294.64	0.62	-37.08
CCC(CC)(NC(=O)C1=CC=CC(O)=C1O)C1=NN=N[N-]1	REAL250004618388	1	37	-1.0	-37.67	294.71	0.62	-37.05
CCC(CC)(NC(=O)CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004618389	0	38	-1.0	-39.80	300.24	4.19	-35.61
CCC(CC)(NC(=O)CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004618389	1	38	-1.0	-39.80	300.31	4.21	-35.59
CCC(CC)(NC(=O)CCC(C)(C)O)C1=N[N-]N=N1	REAL250004618390	0	41	-1.0	-35.03	310.37	0.93	-34.10
CCC(CC)(NC(=O)CCC(C)(C)O)C1=NN=N[N-]1	REAL250004618390	1	41	-1.0	-35.05	310.44	0.94	-34.11
CCC(CC)(NC(=O)CCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004618391	0	41	-1.0	-36.83	322.15	3.46	-33.37
CCC(CC)(NC(=O)CCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004618391	1	41	-1.0	-36.85	322.22	3.48	-33.37
CCC(CC)(NC(=O)C1(F)CCCC1)C1=N[N-]N=N1	REAL250004618392	0	38	-1.0	-34.20	289.03	4.02	-30.18
CCC(CC)(NC(=O)C1(F)CCCC1)C1=NN=N[N-]1	REAL250004618392	1	38	-1.0	-34.17	289.10	4.03	-30.14
CCC(CC)(NC(=O)C1=CC=NC=N1)C1=NN=N[N-]1	REAL250004618393	0	33	-1.0	-36.56	267.39	2.63	-33.93
CCC(CC)(NC(=O)C1=CC=NC=N1)C1=N[N-]N=N1	REAL250004618393	1	33	-1.0	-36.51	267.32	2.63	-33.88
CCC(CC)(NC(=O)CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL250004618394	0	40	-1.0	-36.46	312.55	3.82	-32.64
CCC(CC)(NC(=O)CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL250004618394	1	40	-1.0	-36.46	312.61	3.83	-32.63
CCC(CC)(NC(=O)CC1C=CCCC1)C1=N[N-]N=N1	REAL250004618395	0	42	-1.0	-34.94	312.64	5.28	-29.66
CCC(CC)(NC(=O)CC1C=CCCC1)C1=NN=N[N-]1	REAL250004618395	1	42	-1.0	-34.94	312.70	5.29	-29.65
CCC(CC)(NC(=O)CC1CCCC1C)C1=N[N-]N=N1	REAL250004618396	0	44	-1.0	-34.03	323.77	5.46	-28.57
CCC(CC)(NC(=O)CC1CCCC1C)C1=NN=N[N-]1	REAL250004618396	1	44	-1.0	-34.03	323.83	5.46	-28.57
CCC(CC)(NC(=O)C1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004618397	0	39	-1.0	-38.79	304.85	2.47	-36.32
CCC(CC)(NC(=O)C1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004618397	1	39	-1.0	-38.81	304.91	2.49	-36.32
CCC(CC)(NC(=O)C1=COC(C)=N1)C1=N[N-]N=N1	REAL250004618398	0	34	-1.0	-38.70	276.86	-0.22	-38.92
CCC(CC)(NC(=O)C1=COC(C)=N1)C1=NN=N[N-]1	REAL250004618398	1	34	-1.0	-38.72	276.92	-0.20	-38.92
CCC(CC)(NC(=O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618399	0	41	-1.0	-35.24	316.44	5.67	-29.57
CCC(CC)(NC(=O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618399	1	41	-1.0	-35.19	316.50	5.68	-29.51
CCC(CC)(NC(=O)[C@H](C)NC(N)=O)C1=N[N-]N=N1	REAL250004618400	0	37	-1.0	-37.05	291.64	-2.13	-39.18
CCC(CC)(NC(=O)[C@H](C)NC(N)=O)C1=NN=N[N-]1	REAL250004618400	1	37	-1.0	-37.08	291.71	-2.11	-39.19
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL250004618401	0	40	-1.0	-39.34	316.18	3.98	-35.36
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL250004618401	1	40	-1.0	-39.36	316.25	3.99	-35.37
CCC(CC)(NC(=O)C1CCC(F)C1)C1=N[N-]N=N1	REAL250004618402	0	38	-1.0	-34.03	290.56	4.10	-29.93
CCC(CC)(NC(=O)C1CCC(F)C1)C1=NN=N[N-]1	REAL250004618402	1	38	-1.0	-33.99	290.62	4.12	-29.87
CCC(CC)(NC(=O)C(O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004618403	0	39	-1.0	-37.35	312.85	0.73	-36.62
CCC(CC)(NC(=O)C(O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004618403	1	39	-1.0	-37.33	312.78	0.71	-36.62
CCC(CC)(NC(=O)C1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004618404	0	38	-1.0	-34.98	306.67	3.96	-31.02
CCC(CC)(NC(=O)C1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004618404	1	38	-1.0	-34.97	306.74	3.98	-30.99
CCC(CC)(NC(=O)[C@H]1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004618405	0	39	-1.0	-38.19	300.25	0.96	-37.23
CCC(CC)(NC(=O)[C@H]1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004618405	1	39	-1.0	-38.15	300.32	0.97	-37.18
CCC(CC)(NC(=O)C1=CC=CC(C#N)=C1C)C1=N[N-]N=N1	REAL250004618406	0	39	-1.0	-35.27	309.53	5.44	-29.83
CCC(CC)(NC(=O)C1=CC=CC(C#N)=C1C)C1=NN=N[N-]1	REAL250004618406	1	39	-1.0	-35.28	309.58	5.45	-29.83
CCC(CC)(NC(=O)C1=CC=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL250004618407	0	39	-1.0	-35.90	315.81	5.33	-30.57
CCC(CC)(NC(=O)C1=CC=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL250004618407	1	39	-1.0	-35.83	315.88	5.35	-30.48
CCC(CC)(NC(=O)C1OC(C)CC1C)C1=N[N-]N=N1	REAL250004618408	0	42	-1.0	-36.45	314.99	3.92	-32.53
CCC(CC)(NC(=O)C1OC(C)CC1C)C1=NN=N[N-]1	REAL250004618408	1	42	-1.0	-36.47	315.06	3.93	-32.54
CCC(CC)(NC(=O)COC1=CSC=C1)C1=N[N-]N=N1	REAL250004618409	0	36	-1.0	-36.21	300.23	3.83	-32.38
CCC(CC)(NC(=O)COC1=CSC=C1)C1=NN=N[N-]1	REAL250004618409	1	36	-1.0	-36.24	300.30	3.85	-32.39
CCC1CCCCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618410	0	47	-1.0	-33.86	336.00	5.88	-27.98
CCC1CCCCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618410	1	47	-1.0	-33.86	336.06	5.90	-27.96
CCC(CC)(NC(=O)C1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004618411	0	34	-1.0	-35.83	278.75	2.92	-32.91
CCC(CC)(NC(=O)C1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004618411	1	34	-1.0	-35.83	278.68	2.91	-32.92
CCC(CC)(NC(=O)C=CC1=CN=CS1)C1=N[N-]N=N1	REAL250004618412	0	35	-1.0	-36.40	295.71	2.91	-33.49
CCC(CC)(NC(=O)C=CC1=CN=CS1)C1=NN=N[N-]1	REAL250004618412	1	35	-1.0	-36.42	295.77	2.92	-33.50
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004618413	0	35	-1.0	-37.16	285.48	3.85	-33.31
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004618413	1	35	-1.0	-37.15	285.55	3.86	-33.29
CCCCC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618414	0	43	-1.0	-34.16	321.15	4.98	-29.18
CCCCC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618414	1	43	-1.0	-34.19	321.22	5.00	-29.19
CCC(CC)(NC(=O)C(C)CC(N)=O)C1=N[N-]N=N1	REAL250004618415	0	38	-1.0	-37.55	293.50	-0.42	-37.97
CCC(CC)(NC(=O)C(C)CC(N)=O)C1=NN=N[N-]1	REAL250004618415	1	38	-1.0	-37.58	293.56	-0.41	-37.99
CCC(CC)(NC(=O)C1=C(C)NC(C=O)=C1)C1=N[N-]N=N1	REAL250004618416	0	38	-1.0	-37.27	304.74	2.45	-34.82
CCC(CC)(NC(=O)C1=C(C)NC(C=O)=C1)C1=NN=N[N-]1	REAL250004618416	1	38	-1.0	-37.31	304.80	2.46	-34.85
CCC(CC)(NC(=O)C1=CN=NN1C)C1=NN=N[N-]1	REAL250004618417	0	34	-1.0	-34.08	270.94	0.82	-33.26
CCC(CC)(NC(=O)C1=CN=NN1C)C1=N[N-]N=N1	REAL250004618417	1	34	-1.0	-34.05	270.87	0.80	-33.25
CCC(CC)(NC(=O)C1CCCOCC1)C1=N[N-]N=N1	REAL250004618418	0	42	-1.0	-34.41	304.19	2.81	-31.60
CCC(CC)(NC(=O)C1CCCOCC1)C1=NN=N[N-]1	REAL250004618418	1	42	-1.0	-34.40	304.26	2.82	-31.58
CCC(CC)(NC(=O)CC(C)(C)OC)C1=N[N-]N=N1	REAL250004618419	0	41	-1.0	-36.26	303.03	3.24	-33.02
CCC(CC)(NC(=O)CC(C)(C)OC)C1=NN=N[N-]1	REAL250004618419	1	41	-1.0	-36.27	303.10	3.25	-33.02
CCC(CC)(NC(=O)C1=CC=C(NC)N=C1)C1=N[N-]N=N1	REAL250004618420	0	39	-1.0	-37.46	305.58	2.32	-35.14
CCC(CC)(NC(=O)C1=CC=C(NC)N=C1)C1=NN=N[N-]1	REAL250004618420	1	39	-1.0	-37.50	305.65	2.34	-35.16
CCC(CC)(NC(=O)CC1=C(C)N=CN1)C1=N[N-]N=N1	REAL250004618421	0	38	-1.0	-39.09	300.09	3.29	-35.80
CCC(CC)(NC(=O)CC1=C(C)N=CN1)C1=NN=N[N-]1	REAL250004618421	1	38	-1.0	-39.09	300.15	3.30	-35.79
CCC(CC)(NC(=O)C1=NC=CS1)C1=NN=N[N-]1	REAL250004618422	0	31	-1.0	-37.07	263.25	1.69	-35.38
CCC(CC)(NC(=O)C1=NC=CS1)C1=N[N-]N=N1	REAL250004618422	1	31	-1.0	-37.09	263.19	1.68	-35.41
CCC(CC)(NC(=O)C1=NC(C)=C(C)S1)C1=N[N-]N=N1	REAL250004618423	0	37	-1.0	-37.24	302.85	2.92	-34.32
CCC(CC)(NC(=O)C1=NC(C)=C(C)S1)C1=NN=N[N-]1	REAL250004618423	1	37	-1.0	-37.25	302.92	2.91	-34.34
CCC(CC)(NC(=O)C1=C(C)OC(C#N)=C1)C1=N[N-]N=N1	REAL250004618424	0	36	-1.0	-34.26	298.03	3.75	-30.51
CCC(CC)(NC(=O)C1=C(C)OC(C#N)=C1)C1=NN=N[N-]1	REAL250004618424	1	36	-1.0	-34.33	298.10	3.76	-30.57
CCC(CC)(NC(=O)CC(C)(C)C#N)C1=N[N-]N=N1	REAL250004618425	0	38	-1.0	-34.36	292.96	3.64	-30.72
CCC(CC)(NC(=O)CC(C)(C)C#N)C1=NN=N[N-]1	REAL250004618425	1	38	-1.0	-34.37	293.03	3.65	-30.72
CCC(CC)(NC(=O)C1CCC(F)(F)C1)C1=N[N-]N=N1	REAL250004618426	0	38	-1.0	-35.98	295.83	4.17	-31.81
CCC(CC)(NC(=O)C1CCC(F)(F)C1)C1=NN=N[N-]1	REAL250004618426	1	38	-1.0	-35.94	295.89	4.18	-31.76
CCC(CC)(NC(=O)C1CCC(C)(C)O1)C1=N[N-]N=N1	REAL250004618427	0	42	-1.0	-36.55	318.16	3.98	-32.57
CCC(CC)(NC(=O)C1CCC(C)(C)O1)C1=NN=N[N-]1	REAL250004618427	1	42	-1.0	-36.50	318.23	4.00	-32.50
CCN1C=CN=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618428	0	38	-1.0	-40.23	298.73	3.81	-36.42
CCN1C=CN=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618428	1	38	-1.0	-40.22	298.66	3.80	-36.42
CCC(CC)(NC(=O)C1=C(C)C=CN1)C1=NN=N[N-]1	REAL250004618429	0	36	-1.0	-35.79	280.20	3.03	-32.76
CCC(CC)(NC(=O)C1=C(C)C=CN1)C1=N[N-]N=N1	REAL250004618429	1	36	-1.0	-35.71	280.14	3.03	-32.68
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CO1	REAL250004618430	0	38	-1.0	-36.09	299.01	3.99	-32.10
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CO1	REAL250004618430	1	38	-1.0	-36.09	299.07	4.00	-32.09
C#CC1=CN=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618431	0	36	-1.0	-35.94	298.13	3.86	-32.08
C#CC1=CN=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618431	1	36	-1.0	-35.96	298.20	3.87	-32.09
CCC(CC)(NC(=O)C1=CC=CN=C1F)C1=NN=N[N-]1	REAL250004618432	0	34	-1.0	-38.42	275.50	2.65	-35.77
CCC(CC)(NC(=O)C1=CC=CN=C1F)C1=N[N-]N=N1	REAL250004618432	1	34	-1.0	-38.45	275.44	2.64	-35.81
CCC(CC)(NC(=O)C1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004618433	0	35	-1.0	-36.10	281.88	-0.19	-36.29
CCC(CC)(NC(=O)C1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004618433	1	35	-1.0	-36.12	281.95	-0.18	-36.30
CCC(CC)(NC(=O)C1=CC=NC(C)=C1)C1=N[N-]N=N1	REAL250004618434	0	37	-1.0	-34.49	292.65	3.29	-31.20
CCC(CC)(NC(=O)C1=CC=NC(C)=C1)C1=NN=N[N-]1	REAL250004618434	1	37	-1.0	-34.54	292.72	3.30	-31.24
CCC(CC)(NC(=O)CCC1=NC=CN1)C1=N[N-]N=N1	REAL250004618435	0	38	-1.0	-38.50	301.28	2.60	-35.90
CCC(CC)(NC(=O)CCC1=NC=CN1)C1=NN=N[N-]1	REAL250004618435	1	38	-1.0	-38.51	301.35	2.62	-35.89
CCC(CC)(NC(=O)C(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004618436	0	40	-1.0	-37.76	311.24	3.74	-34.02
CCC(CC)(NC(=O)C(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004618436	1	40	-1.0	-37.71	311.31	3.75	-33.96
CCC(CC)(NC(=O)C1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004618437	0	38	-1.0	-49.28	301.97	2.75	-46.53
CCC(CC)(NC(=O)C1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004618437	1	38	-1.0	-49.28	301.91	2.75	-46.53
CCC(CC)(NC(=O)C1CCC(O)CC1)C1=N[N-]N=N1	REAL250004618438	0	42	-1.0	-34.97	312.73	1.35	-33.62
CCC(CC)(NC(=O)C1CCC(O)CC1)C1=NN=N[N-]1	REAL250004618438	1	42	-1.0	-34.97	312.80	1.37	-33.60
CCC(CC)(NC(=O)C1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL250004618439	0	39	-1.0	-37.99	307.88	1.88	-36.11
CCC(CC)(NC(=O)C1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL250004618439	1	39	-1.0	-37.99	307.94	1.88	-36.11
CCC(CC)(NC(=O)C1=CN=CS1)C1=NN=N[N-]1	REAL250004618440	0	31	-1.0	-34.85	262.28	1.70	-33.15
CCC(CC)(NC(=O)C1=CN=CS1)C1=N[N-]N=N1	REAL250004618440	1	31	-1.0	-34.82	262.21	1.70	-33.12
CCC(CC)(NC(=O)CC1CCCOC1)C1=N[N-]N=N1	REAL250004618441	0	42	-1.0	-35.88	310.54	3.13	-32.75
CCC(CC)(NC(=O)CC1CCCOC1)C1=NN=N[N-]1	REAL250004618441	1	42	-1.0	-35.85	310.60	3.13	-32.72
CCC(CC)(NC(=O)CCC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004618442	0	39	-1.0	-37.24	310.88	2.29	-34.95
CCC(CC)(NC(=O)CCC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004618442	1	39	-1.0	-37.23	310.94	2.30	-34.93
CCC(CC)(NC(=O)C1=C(C)N(C)C=C1)C1=N[N-]N=N1	REAL250004618443	0	39	-1.0	-39.77	301.07	4.50	-35.27
CCC(CC)(NC(=O)C1=C(C)N(C)C=C1)C1=NN=N[N-]1	REAL250004618443	1	39	-1.0	-39.78	301.14	4.52	-35.26
CCC(CC)(NC(=O)C1=CN(C(C)C)C=N1)C1=NN=N[N-]1	REAL250004618444	0	41	-1.0	-41.49	322.08	5.09	-36.40
CCC(CC)(NC(=O)C1=CN(C(C)C)C=N1)C1=N[N-]N=N1	REAL250004618444	1	41	-1.0	-41.47	322.01	5.09	-36.38
C=CC(C)(O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618445	0	39	-1.0	-33.90	295.59	1.95	-31.95
C=CC(C)(O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618445	1	39	-1.0	-33.94	295.65	1.97	-31.97
CCC(CC)(NC(=O)CSCC(C)=O)C1=N[N-]N=N1	REAL250004618446	0	37	-1.0	-42.27	307.93	3.38	-38.89
CCC(CC)(NC(=O)CSCC(C)=O)C1=NN=N[N-]1	REAL250004618446	1	37	-1.0	-42.22	307.99	3.39	-38.83
CCC(CC)(NC(=O)C1=C(C)OCCS1)C1=N[N-]N=N1	REAL250004618447	0	38	-1.0	-37.93	298.60	3.50	-34.43
CCC(CC)(NC(=O)C1=C(C)OCCS1)C1=NN=N[N-]1	REAL250004618447	1	38	-1.0	-37.99	298.67	3.51	-34.48
CCC(CC)(NC(=O)C1CCOCC1C)C1=N[N-]N=N1	REAL250004618448	0	42	-1.0	-34.51	309.32	2.84	-31.67
CCC(CC)(NC(=O)C1CCOCC1C)C1=NN=N[N-]1	REAL250004618448	1	42	-1.0	-34.58	309.39	2.86	-31.72
CCC(CC)(NC(=O)C1=NSC(C)=C1)C1=N[N-]N=N1	REAL250004618449	0	34	-1.0	-38.10	284.29	2.73	-35.37
CCC(CC)(NC(=O)C1=NSC(C)=C1)C1=NN=N[N-]1	REAL250004618449	1	34	-1.0	-38.09	284.36	2.75	-35.34
CCC1=CN=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618450	0	40	-1.0	-35.83	313.85	4.08	-31.75
CCC1=CN=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618450	1	40	-1.0	-35.82	313.78	4.07	-31.75
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)O1)C1=N[N-]N=N1	REAL250004618451	0	37	-1.0	-34.18	305.79	3.12	-31.06
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)O1)C1=NN=N[N-]1	REAL250004618451	1	37	-1.0	-34.19	305.85	3.14	-31.05
CCC(CC)(NC(=O)CC1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004618452	0	37	-1.0	-38.72	300.81	3.28	-35.44
CCC(CC)(NC(=O)CC1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004618452	1	37	-1.0	-38.73	300.88	3.30	-35.43
CCC(CC)(NC(=O)C1=NC=CC(C)=N1)C1=N[N-]N=N1	REAL250004618453	0	36	-1.0	-41.24	289.57	2.64	-38.60
CCC(CC)(NC(=O)C1=NC=CC(C)=N1)C1=NN=N[N-]1	REAL250004618453	1	36	-1.0	-41.22	289.64	2.65	-38.57
CCC(CC)(NC(=O)CC(C)(C)O)C1=N[N-]N=N1	REAL250004618454	0	38	-1.0	-36.69	287.47	1.09	-35.60
CCC(CC)(NC(=O)CC(C)(C)O)C1=NN=N[N-]1	REAL250004618454	1	38	-1.0	-36.69	287.53	1.11	-35.58
CCC(CC)(NC(=O)CCOCC(F)F)C1=N[N-]N=N1	REAL250004618455	0	38	-1.0	-37.68	309.02	2.49	-35.19
CCC(CC)(NC(=O)CCOCC(F)F)C1=NN=N[N-]1	REAL250004618455	1	38	-1.0	-37.65	309.09	2.51	-35.14
CCC(CC)(NC(=O)CC1CCC(=O)C1C)C1=N[N-]N=N1	REAL250004618456	0	43	-1.0	-35.95	322.37	4.31	-31.64
CCC(CC)(NC(=O)CC1CCC(=O)C1C)C1=NN=N[N-]1	REAL250004618456	1	43	-1.0	-36.00	322.44	4.33	-31.67
CCC(CC)(NC(=O)CCC(F)F)C1=N[N-]N=N1	REAL250004618457	0	34	-1.0	-35.93	274.64	3.17	-32.76
CCC(CC)(NC(=O)CCC(F)F)C1=NN=N[N-]1	REAL250004618457	1	34	-1.0	-35.96	274.71	3.19	-32.77
CC=C(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618458	0	38	-1.0	-35.66	289.81	4.13	-31.53
CC=C(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618458	1	38	-1.0	-35.63	289.88	4.15	-31.48
CCC(CC)(NC(=O)C1=CN=CN1C)C1=N[N-]N=N1	REAL250004618459	0	35	-1.0	-37.55	276.19	3.57	-33.98
CCC(CC)(NC(=O)C1=CN=CN1C)C1=NN=N[N-]1	REAL250004618459	1	35	-1.0	-37.57	276.26	3.58	-33.99
CCC(CC)(NC(=O)C(OC)C1CC1)C1=N[N-]N=N1	REAL250004618460	0	39	-1.0	-34.72	301.42	3.95	-30.77
CCC(CC)(NC(=O)C(OC)C1CC1)C1=NN=N[N-]1	REAL250004618460	1	39	-1.0	-34.70	301.47	3.96	-30.74
CCC(CC)(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=N[N-]N=N1	REAL250004618461	0	45	-1.0	-36.13	330.21	2.11	-34.02
CCC(CC)(NC(=O)C[C@@H]1CCCC[C@H]1O)C1=NN=N[N-]1	REAL250004618461	1	45	-1.0	-36.15	330.27	2.13	-34.02
CCC(CC)(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=N[N-]N=N1	REAL250004618462	0	45	-1.0	-36.22	330.20	2.11	-34.11
CCC(CC)(NC(=O)C[C@H]1CCCC[C@@H]1O)C1=NN=N[N-]1	REAL250004618462	1	45	-1.0	-36.19	330.27	2.13	-34.06
CCC(CC)(NC(=O)C1=C(C#N)N(C)N=C1)C1=NN=N[N-]1	REAL250004618463	0	36	-1.0	-36.60	298.51	2.42	-34.18
CCC(CC)(NC(=O)C1=C(C#N)N(C)N=C1)C1=N[N-]N=N1	REAL250004618463	1	36	-1.0	-36.60	298.44	2.41	-34.19
CCC(CC)(NC(=O)C=CC1=CN(C)C=C1)C1=N[N-]N=N1	REAL250004618464	0	40	-1.0	-39.89	319.13	5.36	-34.53
CCC(CC)(NC(=O)C=CC1=CN(C)C=C1)C1=NN=N[N-]1	REAL250004618464	1	40	-1.0	-39.89	319.19	5.38	-34.51
CCC(C)C(OC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618465	0	44	-1.0	-35.57	329.06	4.08	-31.49
CCC(C)C(OC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618465	1	44	-1.0	-35.56	329.13	4.09	-31.47
CCC(CC)(NC(=O)C1=NC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004618467	0	34	-1.0	-36.05	283.31	3.00	-33.05
CCC(CC)(NC(=O)C1=NC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004618467	1	34	-1.0	-36.04	283.24	3.00	-33.04
CCC(CC)(NC(=O)C1=CN=CC(OC)=N1)C1=NN=N[N-]1	REAL250004618468	0	37	-1.0	-34.80	300.18	-0.59	-35.39
CCC(CC)(NC(=O)C1=CN=CC(OC)=N1)C1=N[N-]N=N1	REAL250004618468	1	37	-1.0	-34.83	300.11	-0.60	-35.43
CCC(CC)(NC(=O)C[C@H]1CCOC1)C1=N[N-]N=N1	REAL250004618469	0	39	-1.0	-35.72	294.81	2.18	-33.54
CCC(CC)(NC(=O)C[C@H]1CCOC1)C1=NN=N[N-]1	REAL250004618469	1	39	-1.0	-35.72	294.87	2.20	-33.52
CCC(CC)(NC(=O)C1=C(Cl)OC=C1)C1=N[N-]N=N1	REAL250004618470	0	32	-1.0	-35.65	274.19	3.00	-32.65
CCC(CC)(NC(=O)C1=C(Cl)OC=C1)C1=NN=N[N-]1	REAL250004618470	1	32	-1.0	-35.63	274.26	3.02	-32.61
CCC(CC)(NC(=O)C(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL250004618472	0	38	-1.0	-38.48	300.65	3.73	-34.75
CCC(CC)(NC(=O)C(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL250004618472	1	38	-1.0	-38.46	300.71	3.75	-34.71
CCC(CC)(NC(=O)[C@@H](O)C(C)C)C1=N[N-]N=N1	REAL250004618473	0	38	-1.0	-33.67	282.88	1.40	-32.27
CCC(CC)(NC(=O)[C@@H](O)C(C)C)C1=NN=N[N-]1	REAL250004618473	1	38	-1.0	-33.73	282.95	1.41	-32.32
CCC(C)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618474	0	43	-1.0	-34.13	319.28	4.84	-29.29
CCC(C)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618474	1	43	-1.0	-34.18	319.34	4.86	-29.32
CCC(CC)(NC(=O)C1=C2CCCC2=CO1)C1=N[N-]N=N1	REAL250004618475	0	39	-1.0	-37.90	305.48	4.36	-33.54
CCC(CC)(NC(=O)C1=C2CCCC2=CO1)C1=NN=N[N-]1	REAL250004618475	1	39	-1.0	-37.95	305.55	4.38	-33.57
CCC(CC)(NC(=O)C(O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004618476	0	38	-1.0	-35.81	303.59	1.24	-34.57
CCC(CC)(NC(=O)C(O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004618476	1	38	-1.0	-35.82	303.52	1.23	-34.59
CCC(CC)(NC(=O)CC1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004618477	0	37	-1.0	-38.25	297.42	3.31	-34.94
CCC(CC)(NC(=O)CC1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004618477	1	37	-1.0	-38.27	297.49	3.32	-34.95
CCC(CC)(NC(=O)C(O)C1CC1)C1=N[N-]N=N1	REAL250004618478	0	36	-1.0	-33.67	282.46	1.52	-32.15
CCC(CC)(NC(=O)C(O)C1CC1)C1=NN=N[N-]1	REAL250004618478	1	36	-1.0	-33.67	282.53	1.53	-32.14
CCC1OCCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618479	0	42	-1.0	-34.93	306.42	2.65	-32.28
CCC1OCCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618479	1	42	-1.0	-34.96	306.48	2.67	-32.29
CCC(CC)(NC(=O)COCC(=O)OC)C1=N[N-]N=N1	REAL250004618480	0	38	-1.0	-43.49	309.57	2.81	-40.68
CCC(CC)(NC(=O)COCC(=O)OC)C1=NN=N[N-]1	REAL250004618480	1	38	-1.0	-43.52	309.63	2.82	-40.70
CCC(CC)(NC(=O)CCCCC(C)(C)C)C1=N[N-]N=N1	REAL250004618481	0	49	-1.0	-34.22	360.21	6.15	-28.07
CCC(CC)(NC(=O)CCCCC(C)(C)C)C1=NN=N[N-]1	REAL250004618481	1	49	-1.0	-34.25	360.28	6.17	-28.08
CCC(CC)(NC(=O)[C@H](O)C(C)C)C1=N[N-]N=N1	REAL250004618482	0	38	-1.0	-33.68	285.35	1.47	-32.21
CCC(CC)(NC(=O)[C@H](O)C(C)C)C1=NN=N[N-]1	REAL250004618482	1	38	-1.0	-33.71	285.41	1.48	-32.23
CCC(CC)(NC(=O)CCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004618483	0	47	-1.0	-36.11	351.81	4.08	-32.03
CCC(CC)(NC(=O)CCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004618483	1	47	-1.0	-36.11	351.88	4.09	-32.02
CCC(CC)(NC(=O)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL250004618484	0	41	-1.0	-34.29	307.50	4.51	-29.78
CCC(CC)(NC(=O)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL250004618484	1	41	-1.0	-34.24	307.57	4.52	-29.72
CCC(CC)(NC(=O)C1=CSC(C)=C1)C1=N[N-]N=N1	REAL250004618485	0	35	-1.0	-35.47	289.05	4.17	-31.30
CCC(CC)(NC(=O)C1=CSC(C)=C1)C1=NN=N[N-]1	REAL250004618485	1	35	-1.0	-35.48	289.12	4.19	-31.29
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004618486	0	34	-1.0	-32.66	288.17	2.61	-30.05
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004618486	1	34	-1.0	-32.69	288.23	2.62	-30.07
CCC(CC)(NC(=O)C1=C(C)C(C)=CO1)C1=N[N-]N=N1	REAL250004618487	0	38	-1.0	-37.04	299.31	3.80	-33.24
CCC(CC)(NC(=O)C1=C(C)C(C)=CO1)C1=NN=N[N-]1	REAL250004618487	1	38	-1.0	-36.97	299.38	3.81	-33.16
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CN1	REAL250004618488	0	39	-1.0	-39.10	302.64	3.61	-35.49
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CN1	REAL250004618488	1	39	-1.0	-39.14	302.70	3.62	-35.52
CCC(CC)(NC(=O)C1=C(C(C)C)NC=C1)C1=N[N-]N=N1	REAL250004618489	0	42	-1.0	-39.12	322.79	4.21	-34.91
CCC(CC)(NC(=O)C1=C(C(C)C)NC=C1)C1=NN=N[N-]1	REAL250004618489	1	42	-1.0	-39.11	322.85	4.22	-34.89
CCC(CC)(NC(=O)COC(F)F)C1=N[N-]N=N1	REAL250004618490	0	32	-1.0	-36.06	264.80	1.71	-34.35
CCC(CC)(NC(=O)COC(F)F)C1=NN=N[N-]1	REAL250004618490	1	32	-1.0	-36.03	264.87	1.72	-34.31
CCC(CC)(NC(=O)CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL250004618491	0	40	-1.0	-37.31	312.28	3.77	-33.54
CCC(CC)(NC(=O)CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL250004618491	1	40	-1.0	-37.26	312.34	3.79	-33.47
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618492	0	42	-1.0	-35.50	328.40	6.47	-29.03
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618492	1	42	-1.0	-35.49	328.47	6.48	-29.01
CCC(CC)(NC(=O)C1=C(Cl)C=CS1)C1=N[N-]N=N1	REAL250004618493	0	32	-1.0	-35.54	281.71	3.96	-31.58
CCC(CC)(NC(=O)C1=C(Cl)C=CS1)C1=NN=N[N-]1	REAL250004618493	1	32	-1.0	-35.55	281.77	3.98	-31.57
CCC(CC)(NC(=O)C1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004618494	0	34	-1.0	-37.07	276.50	0.60	-36.47
CCC(CC)(NC(=O)C1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004618494	1	34	-1.0	-37.08	276.44	0.58	-36.50
CCC(CC)(NC(=O)C1=CN2C=NC=C2C=C1)C1=N[N-]N=N1	REAL250004618495	0	38	-1.0	-35.88	302.80	5.85	-30.03
CCC(CC)(NC(=O)C1=CN2C=NC=C2C=C1)C1=NN=N[N-]1	REAL250004618495	1	38	-1.0	-35.88	302.86	5.87	-30.01
CCC(CC)(NC(=O)C1COC(=O)N1)C1=N[N-]N=N1	REAL250004618496	0	34	-1.0	-39.32	272.45	-1.30	-40.62
CCC(CC)(NC(=O)C1COC(=O)N1)C1=NN=N[N-]1	REAL250004618496	1	34	-1.0	-39.31	272.52	-1.29	-40.60
CCC(CC)(NC(=O)C1=C(C)OC=C1C)C1=N[N-]N=N1	REAL250004618497	0	38	-1.0	-36.91	301.40	3.74	-33.17
CCC(CC)(NC(=O)C1=C(C)OC=C1C)C1=NN=N[N-]1	REAL250004618497	1	38	-1.0	-36.85	301.46	3.76	-33.09
CCC(CC)(NC(=O)CN1C=CN=C1C)C1=N[N-]N=N1	REAL250004618498	0	38	-1.0	-38.47	302.08	3.99	-34.48
CCC(CC)(NC(=O)CN1C=CN=C1C)C1=NN=N[N-]1	REAL250004618498	1	38	-1.0	-38.50	302.14	4.01	-34.49
CCC(CC)(NC(=O)C1=NN(C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004618499	0	35	-1.0	-36.91	297.55	2.59	-34.32
CCC(CC)(NC(=O)C1=NN(C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004618499	1	35	-1.0	-36.94	297.48	2.58	-34.36
CCC(CC)(NC(=O)C1=CN=C(F)C(C)=C1)C1=NN=N[N-]1	REAL250004618500	0	37	-1.0	-34.25	296.87	3.36	-30.89
CCC(CC)(NC(=O)C1=CN=C(F)C(C)=C1)C1=N[N-]N=N1	REAL250004618500	1	37	-1.0	-34.25	296.80	3.35	-30.90
CCC(CC)(NC(=O)C1=CC(C=O)=CN1C)C1=N[N-]N=N1	REAL250004618502	0	38	-1.0	-44.94	304.08	3.72	-41.22
CCC(CC)(NC(=O)C1=CC(C=O)=CN1C)C1=NN=N[N-]1	REAL250004618502	1	38	-1.0	-44.96	304.15	3.72	-41.24
CCC(CC)(NC(=O)C1=CC=C(C=O)N1C)C1=N[N-]N=N1	REAL250004618503	0	38	-1.0	-37.36	302.61	3.54	-33.82
CCC(CC)(NC(=O)C1=CC=C(C=O)N1C)C1=NN=N[N-]1	REAL250004618503	1	38	-1.0	-37.39	302.67	3.55	-33.84
CCC(CC)(NC(=O)CCC1=NNN=C1)C1=N[N-]N=N1	REAL250004618504	0	37	-1.0	-36.70	295.69	0.98	-35.72
CCC(CC)(NC(=O)CCC1=NNN=C1)C1=NN=N[N-]1	REAL250004618504	1	37	-1.0	-36.72	295.75	1.00	-35.72
CCC(CC)(NC(=O)C1=NNC=C1C)C1=N[N-]N=N1	REAL250004618505	0	35	-1.0	-40.38	277.13	1.58	-38.80
CCC(CC)(NC(=O)C1=NNC=C1C)C1=NN=N[N-]1	REAL250004618505	1	35	-1.0	-40.40	277.20	1.59	-38.81
CCC(CC)(NC(=O)CCC1(O)CCC1)C1=N[N-]N=N1	REAL250004618506	0	42	-1.0	-35.43	318.02	1.79	-33.64
CCC(CC)(NC(=O)CCC1(O)CCC1)C1=NN=N[N-]1	REAL250004618506	1	42	-1.0	-35.39	318.09	1.81	-33.58
CCC(CC)(NC(=O)C1=C(C)SC=C1)C1=N[N-]N=N1	REAL250004618507	0	35	-1.0	-35.29	284.07	4.15	-31.14
CCC(CC)(NC(=O)C1=C(C)SC=C1)C1=NN=N[N-]1	REAL250004618507	1	35	-1.0	-35.24	284.13	4.16	-31.08
CCC(CC)(NC(=O)CC1(O)CCC1)C1=N[N-]N=N1	REAL250004618508	0	39	-1.0	-34.19	295.19	2.15	-32.04
CCC(CC)(NC(=O)CC1(O)CCC1)C1=NN=N[N-]1	REAL250004618508	1	39	-1.0	-34.20	295.25	2.16	-32.04
CCC(CC)(NC(=O)CCC1=NN(C)N=C1)C1=N[N-]N=N1	REAL250004618509	0	40	-1.0	-37.99	318.75	2.09	-35.90
CCC(CC)(NC(=O)CCC1=NN(C)N=C1)C1=NN=N[N-]1	REAL250004618509	1	40	-1.0	-37.97	318.82	2.10	-35.87
CCC(CC)(NC(=O)CC1CCC2CC21)C1=N[N-]N=N1	REAL250004618510	0	42	-1.0	-34.06	312.09	5.44	-28.62
CCC(CC)(NC(=O)CC1CCC2CC21)C1=NN=N[N-]1	REAL250004618510	1	42	-1.0	-34.08	312.16	5.46	-28.62
CCC(CC)(NC(=O)CC1=NN=C(C)S1)C1=N[N-]N=N1	REAL250004618511	0	36	-1.0	-39.78	301.69	1.88	-37.90
CCC(CC)(NC(=O)CC1=NN=C(C)S1)C1=NN=N[N-]1	REAL250004618511	1	36	-1.0	-39.79	301.75	1.90	-37.89
CCC(CC)(NC(=O)CCC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004618512	0	39	-1.0	-36.53	311.59	3.95	-32.58
CCC(CC)(NC(=O)CCC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004618512	1	39	-1.0	-36.52	311.53	3.93	-32.59
CC[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618513	0	38	-1.0	-34.55	293.78	4.34	-30.21
CC[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618513	1	38	-1.0	-34.58	293.85	4.35	-30.23
CCC(CC)(NC(=O)C1CC1(F)F)C1=N[N-]N=N1	REAL250004618514	0	32	-1.0	-35.39	263.22	3.18	-32.21
CCC(CC)(NC(=O)C1CC1(F)F)C1=NN=N[N-]1	REAL250004618514	1	32	-1.0	-35.40	263.28	3.19	-32.21
CCC(CC)(NC(=O)CCCC(=O)C1CC1)C1=N[N-]N=N1	REAL250004618515	0	43	-1.0	-41.27	337.80	5.20	-36.07
CCC(CC)(NC(=O)CCCC(=O)C1CC1)C1=NN=N[N-]1	REAL250004618515	1	43	-1.0	-41.28	337.87	5.21	-36.07
CCCCCC(O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618516	0	44	-1.0	-33.84	336.27	3.02	-30.82
CCCCCC(O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618516	1	44	-1.0	-33.79	336.33	3.03	-30.76
CCC(CC)(NC(=O)C1=CN=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004618517	0	38	-1.0	-39.38	302.28	3.74	-35.64
CCC(CC)(NC(=O)C1=CN=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004618517	1	38	-1.0	-39.38	302.22	3.72	-35.66
CCC(CC)(NC(=O)CSC(F)F)C1=N[N-]N=N1	REAL250004618518	0	32	-1.0	-35.00	276.70	2.97	-32.03
CCC(CC)(NC(=O)CSC(F)F)C1=NN=N[N-]1	REAL250004618518	1	32	-1.0	-34.98	276.76	2.98	-32.00
CCC(CC)(NC(=O)C(C)=C1CCC1)C1=N[N-]N=N1	REAL250004618519	0	39	-1.0	-35.58	296.54	5.00	-30.58
CCC(CC)(NC(=O)C(C)=C1CCC1)C1=NN=N[N-]1	REAL250004618519	1	39	-1.0	-35.62	296.61	5.00	-30.62
CCC(CC)(NC(=O)C#CC1=CC=CS1)C1=N[N-]N=N1	REAL250004618520	0	34	-1.0	-35.83	297.37	4.88	-30.95
CCC(CC)(NC(=O)C#CC1=CC=CS1)C1=NN=N[N-]1	REAL250004618520	1	34	-1.0	-35.81	297.43	4.89	-30.92
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=N[N-]N=N1	REAL250004618521	0	44	-1.0	-34.50	332.71	5.64	-28.86
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1=NN=N[N-]1	REAL250004618521	1	44	-1.0	-34.52	332.78	5.65	-28.87
CCC(CC)(NC(=O)CCC1CCC(=O)N1)C1=N[N-]N=N1	REAL250004618522	0	42	-1.0	-41.15	324.21	1.59	-39.56
CCC(CC)(NC(=O)CCC1CCC(=O)N1)C1=NN=N[N-]1	REAL250004618522	1	42	-1.0	-41.13	324.28	1.61	-39.52
CCC(CC)(NC(=O)C1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL250004618523	0	47	-1.0	-33.98	332.66	5.55	-28.43
CCC(CC)(NC(=O)C1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL250004618523	1	47	-1.0	-34.01	332.73	5.57	-28.44
C=C[C@@H]1OCC[C@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618524	0	40	-1.0	-34.49	307.44	2.78	-31.71
C=C[C@@H]1OCC[C@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618524	1	40	-1.0	-34.53	307.50	2.80	-31.73
CCC(CC)(NC(=O)CCCC(C)C)C1=N[N-]N=N1	REAL250004618525	0	43	-1.0	-34.27	322.55	4.97	-29.30
CCC(CC)(NC(=O)CCCC(C)C)C1=NN=N[N-]1	REAL250004618525	1	43	-1.0	-34.26	322.61	4.98	-29.28
CCCC1CCCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618526	0	47	-1.0	-34.50	335.45	5.72	-28.78
CCCC1CCCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618526	1	47	-1.0	-34.50	335.51	5.74	-28.76
CCC(CC)(NC(=O)C1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL250004618527	0	35	-1.0	-35.74	293.89	2.67	-33.07
CCC(CC)(NC(=O)C1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL250004618527	1	35	-1.0	-35.71	293.83	2.67	-33.04
CCOC1=NOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618528	0	38	-1.0	-33.33	308.64	0.94	-32.39
CCOC1=NOC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618528	1	38	-1.0	-33.34	308.58	0.94	-32.40
CCC(CC)(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=N[N-]N=N1	REAL250004618529	0	42	-1.0	-38.53	323.86	4.17	-34.36
CCC(CC)(NC(=O)CCC(C)(C)[N+](=O)[O-])C1=NN=N[N-]1	REAL250004618529	1	42	-1.0	-38.49	323.93	4.18	-34.31
CCC(CC)(NC(=O)C1=CC=NC=C1C)C1=NN=N[N-]1	REAL250004618530	0	37	-1.0	-34.30	287.36	3.35	-30.95
CCC(CC)(NC(=O)C1=CC=NC=C1C)C1=N[N-]N=N1	REAL250004618530	1	37	-1.0	-34.29	287.29	3.33	-30.96
CCC(CC)(NC(=O)C#CCOC)C1=N[N-]N=N1	REAL250004618531	0	34	-1.0	-37.49	281.24	1.84	-35.65
CCC(CC)(NC(=O)C#CCOC)C1=NN=N[N-]1	REAL250004618531	1	34	-1.0	-37.46	281.30	1.85	-35.61
CCC(CC)(NC(=O)CC1CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004618532	0	38	-1.0	-42.94	299.81	1.21	-41.73
CCC(CC)(NC(=O)CC1CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004618532	1	38	-1.0	-42.96	299.88	1.21	-41.75
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)N1)C1=N[N-]N=N1	REAL250004618533	0	37	-1.0	-35.66	299.55	-0.90	-36.56
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)N1)C1=NN=N[N-]1	REAL250004618533	1	37	-1.0	-35.66	299.61	-0.90	-36.56
CCC(CC)(NC(=O)C1=C2C=CNC2=CC=N1)C1=NN=N[N-]1	REAL250004618534	0	38	-1.0	-43.48	301.53	2.88	-40.60
CCC(CC)(NC(=O)C1=C2C=CNC2=CC=N1)C1=N[N-]N=N1	REAL250004618534	1	38	-1.0	-43.51	301.47	2.88	-40.63
CCC(CC)(NC(=O)C1=CSC(C#N)=C1)C1=N[N-]N=N1	REAL250004618535	0	33	-1.0	-34.95	287.00	4.03	-30.92
CCC(CC)(NC(=O)C1=CSC(C#N)=C1)C1=NN=N[N-]1	REAL250004618535	1	33	-1.0	-34.95	287.07	4.03	-30.92
CCC(CC)(NC(=O)C1=NSC=C1)C1=NN=N[N-]1	REAL250004618536	0	31	-1.0	-37.93	261.61	2.05	-35.88
CCC(CC)(NC(=O)C1=NSC=C1)C1=N[N-]N=N1	REAL250004618536	1	31	-1.0	-37.95	261.54	2.04	-35.91
CCC1CCCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618537	0	44	-1.0	-34.47	323.78	5.32	-29.15
CCC1CCCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618537	1	44	-1.0	-34.51	323.85	5.34	-29.17
C#CCOC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618538	0	37	-1.0	-37.98	300.63	3.56	-34.42
C#CCOC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618538	1	37	-1.0	-37.96	300.69	3.57	-34.39
CCC(C)=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618539	0	38	-1.0	-34.80	291.62	4.20	-30.60
CCC(C)=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618539	1	38	-1.0	-34.83	291.69	4.21	-30.62
CCC(CC)(NC(=O)C=CC1CCOC1)C1=N[N-]N=N1	REAL250004618540	0	40	-1.0	-36.07	310.12	2.83	-33.24
CCC(CC)(NC(=O)C=CC1CCOC1)C1=NN=N[N-]1	REAL250004618540	1	40	-1.0	-36.08	310.19	2.84	-33.24
CCC(CC)(NC(=O)C1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL250004618541	0	39	-1.0	-42.80	305.31	3.06	-39.74
CCC(CC)(NC(=O)C1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL250004618541	1	39	-1.0	-42.78	305.38	3.08	-39.70
CCC(CC)(NC(=O)C1=C(C)NC(C#N)=C1)C1=N[N-]N=N1	REAL250004618542	0	37	-1.0	-37.30	301.22	3.27	-34.03
CCC(CC)(NC(=O)C1=C(C)NC(C#N)=C1)C1=NN=N[N-]1	REAL250004618542	1	37	-1.0	-37.38	301.28	3.26	-34.12
CCC(CC)(NC(=O)C1=C2CCCN2N=C1)C1=N[N-]N=N1	REAL250004618543	0	39	-1.0	-40.03	304.62	2.98	-37.05
CCC(CC)(NC(=O)C1=C2CCCN2N=C1)C1=NN=N[N-]1	REAL250004618543	1	39	-1.0	-40.03	304.69	2.99	-37.04
CCC(CC)(NC(=O)C=CC1=CNN=C1)C1=NN=N[N-]1	REAL250004618544	0	36	-1.0	-39.83	291.20	2.18	-37.65
CCC(CC)(NC(=O)C=CC1=CNN=C1)C1=N[N-]N=N1	REAL250004618544	1	36	-1.0	-39.84	291.14	2.17	-37.67
CCC(CC)(NC(=O)C1=CC(=O)NN=C1)C1=N[N-]N=N1	REAL250004618545	0	34	-1.0	-34.16	275.00	0.09	-34.07
CCC(CC)(NC(=O)C1=CC(=O)NN=C1)C1=NN=N[N-]1	REAL250004618545	1	34	-1.0	-34.15	275.06	0.09	-34.06
CCC(CC)(NC(=O)C1CC(C)=NO1)C1=N[N-]N=N1	REAL250004618546	0	36	-1.0	-38.91	285.07	2.77	-36.14
CCC(CC)(NC(=O)C1CC(C)=NO1)C1=NN=N[N-]1	REAL250004618546	1	36	-1.0	-38.91	285.13	2.77	-36.14
CCC(CC)(NC(=O)[C@@H]1CNC(=O)O1)C1=N[N-]N=N1	REAL250004618547	0	34	-1.0	-40.93	271.69	-0.97	-41.90
CCC(CC)(NC(=O)[C@@H]1CNC(=O)O1)C1=NN=N[N-]1	REAL250004618547	1	34	-1.0	-40.87	271.76	-0.96	-41.83
CCC(CC)(NC(=O)CCC[Si](C)(C)C)C1=N[N-]N=N1	REAL250004618548	0	46	-1.0	-35.77	355.45	7.53	-28.24
CCC(CC)(NC(=O)CCC[Si](C)(C)C)C1=NN=N[N-]1	REAL250004618548	1	46	-1.0	-35.74	355.51	7.54	-28.20
CCC(CC)(NC(=O)C1=NN=C(C)S1)C1=N[N-]N=N1	REAL250004618549	0	33	-1.0	-38.62	281.00	1.20	-37.42
CCC(CC)(NC(=O)C1=NN=C(C)S1)C1=NN=N[N-]1	REAL250004618549	1	33	-1.0	-38.62	281.06	1.21	-37.41
CCC(CC)(NC(=O)CSC1CC1)C1=N[N-]N=N1	REAL250004618550	0	36	-1.0	-35.09	295.59	4.28	-30.81
CCC(CC)(NC(=O)CSC1CC1)C1=NN=N[N-]1	REAL250004618550	1	36	-1.0	-35.15	295.66	4.29	-30.86
CCC(CC)(NC(=O)CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL250004618551	0	41	-1.0	-39.12	321.82	3.36	-35.76
CCC(CC)(NC(=O)CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL250004618551	1	41	-1.0	-39.16	321.89	3.37	-35.79
CCC(CC)(NC(=O)C1=NC=C(C#N)C=C1C)C1=NN=N[N-]1	REAL250004618552	0	38	-1.0	-36.69	309.20	3.92	-32.77
CCC(CC)(NC(=O)C1=NC=C(C#N)C=C1C)C1=N[N-]N=N1	REAL250004618552	1	38	-1.0	-36.67	309.14	3.91	-32.76
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C1CC1)C1=N[N-]N=N1	REAL250004618553	0	39	-1.0	-34.59	304.68	5.15	-29.44
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C1CC1)C1=NN=N[N-]1	REAL250004618553	1	39	-1.0	-34.58	304.75	5.16	-29.42
CCC(CC)(NC(=O)CN1C=CC(C)=N1)C1=N[N-]N=N1	REAL250004618554	0	38	-1.0	-40.55	302.62	3.12	-37.43
CCC(CC)(NC(=O)CN1C=CC(C)=N1)C1=NN=N[N-]1	REAL250004618554	1	38	-1.0	-40.60	302.69	3.14	-37.46
CCC(CC)(NC(=O)C1CCCC(OC)C1)C1=N[N-]N=N1	REAL250004618555	0	45	-1.0	-34.63	323.61	3.40	-31.23
CCC(CC)(NC(=O)C1CCCC(OC)C1)C1=NN=N[N-]1	REAL250004618555	1	45	-1.0	-34.65	323.68	3.41	-31.24
CCC(CC)(NC(=O)CCNC(=O)NC)C1=N[N-]N=N1	REAL250004618556	0	40	-1.0	-43.09	316.14	-0.90	-43.99
CCC(CC)(NC(=O)CCNC(=O)NC)C1=NN=N[N-]1	REAL250004618556	1	40	-1.0	-43.06	316.21	-0.89	-43.95
CCN1N=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618557	0	37	-1.0	-36.87	298.31	1.43	-35.44
CCN1N=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618557	1	37	-1.0	-36.89	298.25	1.42	-35.47
CCOC1=NNC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618558	0	39	-1.0	-33.03	312.29	-0.22	-33.25
CCOC1=NNC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618558	1	39	-1.0	-33.05	312.35	-0.21	-33.26
CCC(CC)(NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004618559	0	42	-1.0	-34.59	321.86	6.28	-28.31
CCC(CC)(NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004618559	1	42	-1.0	-34.61	321.94	6.29	-28.32
CCCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NO1	REAL250004618560	0	40	-1.0	-37.07	318.69	4.20	-32.87
CCCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NO1	REAL250004618560	1	40	-1.0	-37.10	318.75	4.20	-32.90
CCC1CC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618561	0	38	-1.0	-34.27	287.52	4.47	-29.80
CCC1CC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618561	1	38	-1.0	-34.26	287.59	4.48	-29.78
CCC(CC)(NC(=O)CC1=NC=CN1)C1=N[N-]N=N1	REAL250004618562	0	35	-1.0	-41.20	278.32	1.97	-39.23
CCC(CC)(NC(=O)CC1=NC=CN1)C1=NN=N[N-]1	REAL250004618562	1	35	-1.0	-41.20	278.38	1.97	-39.23
CCC(CC)(NC(=O)CCC1=NOC=C1)C1=N[N-]N=N1	REAL250004618563	0	37	-1.0	-37.91	296.86	3.21	-34.70
CCC(CC)(NC(=O)CCC1=NOC=C1)C1=NN=N[N-]1	REAL250004618563	1	37	-1.0	-37.92	296.93	3.22	-34.70
CCC(CC)(NC(=O)C(C)C(C)(F)F)C1=N[N-]N=N1	REAL250004618564	0	37	-1.0	-38.09	287.59	3.58	-34.51
CCC(CC)(NC(=O)C(C)C(C)(F)F)C1=NN=N[N-]1	REAL250004618564	1	37	-1.0	-38.09	287.66	3.59	-34.50
CCN1N=NC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618565	0	37	-1.0	-33.63	291.94	1.79	-31.84
CCN1N=NC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618565	1	37	-1.0	-33.67	291.87	1.79	-31.88
CCC(CC)(NC(=O)CCCC#N)C1=N[N-]N=N1	REAL250004618566	0	35	-1.0	-40.90	282.84	3.42	-37.48
CCC(CC)(NC(=O)CCCC#N)C1=NN=N[N-]1	REAL250004618566	1	35	-1.0	-40.89	282.90	3.43	-37.46
CCC(CC)(NC(=O)C1=C(C)N=C(C)N1)C1=N[N-]N=N1	REAL250004618567	0	38	-1.0	-35.41	296.97	2.55	-32.86
CCC(CC)(NC(=O)C1=C(C)N=C(C)N1)C1=NN=N[N-]1	REAL250004618567	1	38	-1.0	-35.34	297.04	2.55	-32.79
CCN1N=C(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618568	0	40	-1.0	-36.94	316.04	2.13	-34.81
CCN1N=C(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618568	1	40	-1.0	-36.92	316.09	2.13	-34.79
CCC(CC)(NC(=O)C1=CC(C=O)=CN1)C1=N[N-]N=N1	REAL250004618569	0	35	-1.0	-36.35	286.35	2.11	-34.24
CCC(CC)(NC(=O)C1=CC(C=O)=CN1)C1=NN=N[N-]1	REAL250004618569	1	35	-1.0	-36.36	286.42	2.12	-34.24
CCC(CC)(NC(=O)CC1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL250004618570	0	38	-1.0	-38.29	305.60	0.59	-37.70
CCC(CC)(NC(=O)CC1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL250004618570	1	38	-1.0	-38.31	305.66	0.59	-37.72
CCC(CC)(NC(=O)C1=NC=C(OC)C=N1)C1=NN=N[N-]1	REAL250004618571	0	37	-1.0	-39.19	297.68	1.32	-37.87
CCC(CC)(NC(=O)C1=NC=C(OC)C=N1)C1=N[N-]N=N1	REAL250004618571	1	37	-1.0	-39.24	297.62	1.32	-37.92
CCC(CC)(NC(=O)C1CC2CCC1CC2)C1=N[N-]N=N1	REAL250004618572	0	45	-1.0	-34.14	317.28	5.50	-28.64
CCC(CC)(NC(=O)C1CC2CCC1CC2)C1=NN=N[N-]1	REAL250004618572	1	45	-1.0	-34.13	317.35	5.51	-28.62
CCC(CC)(NC(=O)C1=NN(COC)C=C1)C1=NN=N[N-]1	REAL250004618573	0	39	-1.0	-38.44	313.05	1.01	-37.43
CCC(CC)(NC(=O)C1=NN(COC)C=C1)C1=N[N-]N=N1	REAL250004618573	1	39	-1.0	-38.44	312.98	1.01	-37.43
CCC(CC)(NC(=O)CC1(C#N)CC1)C1=N[N-]N=N1	REAL250004618574	0	36	-1.0	-42.30	288.47	3.75	-38.55
CCC(CC)(NC(=O)CC1(C#N)CC1)C1=NN=N[N-]1	REAL250004618574	1	36	-1.0	-42.29	288.54	3.77	-38.52
CCC(CC)(NC(=O)C1=CC(C)=CS1)C1=N[N-]N=N1	REAL250004618575	0	35	-1.0	-35.02	288.83	4.22	-30.80
CCC(CC)(NC(=O)C1=CC(C)=CS1)C1=NN=N[N-]1	REAL250004618575	1	35	-1.0	-35.01	288.90	4.23	-30.78
CCCC(OC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618576	0	41	-1.0	-35.45	311.03	3.51	-31.94
CCCC(OC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618576	1	41	-1.0	-35.41	311.10	3.52	-31.89
CCC(CC)(NC(=O)C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL250004618577	0	34	-1.0	-39.53	285.69	3.26	-36.27
CCC(CC)(NC(=O)C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL250004618577	1	34	-1.0	-39.56	285.62	3.24	-36.32
CCC(CC)(NC(=O)C1=C(C2CC2)OC=N1)C1=NN=N[N-]1	REAL250004618578	0	38	-1.0	-39.19	303.91	1.54	-37.65
CCC(CC)(NC(=O)C1=C(C2CC2)OC=N1)C1=N[N-]N=N1	REAL250004618578	1	38	-1.0	-39.19	303.84	1.54	-37.65
CCC(CC)(NC(=O)C1=C(F)C=CS1)C1=N[N-]N=N1	REAL250004618579	0	32	-1.0	-37.42	273.08	3.50	-33.92
CCC(CC)(NC(=O)C1=C(F)C=CS1)C1=NN=N[N-]1	REAL250004618579	1	32	-1.0	-37.49	273.15	3.52	-33.97
CCC(CC)(NC(=O)C(C)C(C)COC)C1=N[N-]N=N1	REAL250004618580	0	44	-1.0	-34.87	326.94	3.09	-31.78
CCC(CC)(NC(=O)C(C)C(C)COC)C1=NN=N[N-]1	REAL250004618580	1	44	-1.0	-34.89	327.01	3.10	-31.79
CCC[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618581	0	41	-1.0	-34.46	315.29	5.12	-29.34
CCC[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618581	1	41	-1.0	-34.44	315.35	5.13	-29.31
CCC(CC)(NC(=O)CCC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004618582	0	41	-1.0	-39.23	324.71	3.62	-35.61
CCC(CC)(NC(=O)CCC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004618582	1	41	-1.0	-39.21	324.78	3.63	-35.58
CCC(CC)(NC(=O)C1CCCCC1OC)C1=N[N-]N=N1	REAL250004618583	0	45	-1.0	-35.47	330.63	4.69	-30.78
CCC(CC)(NC(=O)C1CCCCC1OC)C1=NN=N[N-]1	REAL250004618583	1	45	-1.0	-35.46	330.69	4.70	-30.76
CCC(CC)(NC(=O)C1=C(C)OC(C)=N1)C1=N[N-]N=N1	REAL250004618584	0	37	-1.0	-38.55	294.05	0.72	-37.83
CCC(CC)(NC(=O)C1=C(C)OC(C)=N1)C1=NN=N[N-]1	REAL250004618584	1	37	-1.0	-38.52	294.12	0.72	-37.80
CCC(O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618585	0	38	-1.0	-36.99	292.65	1.18	-35.81
CCC(O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618585	1	38	-1.0	-36.99	292.72	1.20	-35.79
CCC(CC)(NC(=O)C1=CN(C(C)C)N=N1)C1=NN=N[N-]1	REAL250004618586	0	40	-1.0	-40.65	317.34	2.15	-38.50
CCC(CC)(NC(=O)C1=CN(C(C)C)N=N1)C1=N[N-]N=N1	REAL250004618586	1	40	-1.0	-40.63	317.28	2.14	-38.49
CCC(CC)(NC(=O)CCCC1CC1)C1=N[N-]N=N1	REAL250004618587	0	41	-1.0	-34.46	315.09	5.25	-29.21
CCC(CC)(NC(=O)CCCC1CC1)C1=NN=N[N-]1	REAL250004618587	1	41	-1.0	-34.44	315.16	5.26	-29.18
CCC(CC)(NC(=O)CCC1=NC=CC=N1)C1=N[N-]N=N1	REAL250004618588	0	39	-1.0	-38.73	311.86	3.12	-35.61
CCC(CC)(NC(=O)CCC1=NC=CC=N1)C1=NN=N[N-]1	REAL250004618588	1	39	-1.0	-38.71	311.93	3.13	-35.58
CCC(CC)(NC(=O)CCC1=CN=CS1)C1=NN=N[N-]1	REAL250004618589	0	37	-1.0	-35.81	306.72	3.17	-32.64
CCC(CC)(NC(=O)CCC1=CN=CS1)C1=N[N-]N=N1	REAL250004618589	1	37	-1.0	-35.79	306.65	3.15	-32.64
CCC(CC)(NC(=O)CC(C)(C)C1CC1)C1=N[N-]N=N1	REAL250004618590	0	44	-1.0	-33.38	317.35	5.27	-28.11
CCC(CC)(NC(=O)CC(C)(C)C1CC1)C1=NN=N[N-]1	REAL250004618590	1	44	-1.0	-33.38	317.42	5.28	-28.10
CCC1=NC(C)=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)O1	REAL250004618591	0	40	-1.0	-35.81	316.31	1.27	-34.54
CCC1=NC(C)=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)O1	REAL250004618591	1	40	-1.0	-35.82	316.37	1.28	-34.54
CCC(CC)(NC(=O)C1=NN(C)N=N1)C1=NN=N[N-]1	REAL250004618592	0	33	-1.0	-38.83	271.39	0.16	-38.67
CCC(CC)(NC(=O)C1=NN(C)N=N1)C1=N[N-]N=N1	REAL250004618592	1	33	-1.0	-38.81	271.33	0.15	-38.66
CCC(CC)(NC(=O)C1=NOC(CO)=C1)C1=N[N-]N=N1	REAL250004618593	0	35	-1.0	-40.12	287.12	-0.70	-40.82
CCC(CC)(NC(=O)C1=NOC(CO)=C1)C1=NN=N[N-]1	REAL250004618593	1	35	-1.0	-40.13	287.18	-0.70	-40.83
CCC(CC)(NC(=O)CC1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL250004618594	0	37	-1.0	-37.53	301.02	3.41	-34.12
CCC(CC)(NC(=O)CC1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL250004618594	1	37	-1.0	-37.50	301.08	3.41	-34.09
CCC(CC)(NC(=O)C1=CC(O)=CC=C1C)C1=N[N-]N=N1	REAL250004618595	0	39	-1.0	-36.81	302.14	2.37	-34.44
CCC(CC)(NC(=O)C1=CC(O)=CC=C1C)C1=NN=N[N-]1	REAL250004618595	1	39	-1.0	-36.83	302.21	2.37	-34.46
CCC(CC)(NC(=O)C1=CON=C1COC)C1=N[N-]N=N1	REAL250004618596	0	38	-1.0	-35.76	306.96	1.52	-34.24
CCC(CC)(NC(=O)C1=CON=C1COC)C1=NN=N[N-]1	REAL250004618596	1	38	-1.0	-35.75	307.02	1.54	-34.21
CCC(CC)(NC(=O)CC(C)CC(=O)OC)C1=N[N-]N=N1	REAL250004618597	0	43	-1.0	-39.82	330.07	4.15	-35.67
CCC(CC)(NC(=O)CC(C)CC(=O)OC)C1=NN=N[N-]1	REAL250004618597	1	43	-1.0	-39.82	330.14	4.17	-35.65
CCC(CC)(NC(=O)C1=C(C2CC2)N=CO1)C1=N[N-]N=N1	REAL250004618598	0	38	-1.0	-36.61	303.61	1.51	-35.10
CCC(CC)(NC(=O)C1=C(C2CC2)N=CO1)C1=NN=N[N-]1	REAL250004618598	1	38	-1.0	-36.60	303.67	1.52	-35.08
CCC(CC)(NC(=O)C1(F)CCCCC1)C1=N[N-]N=N1	REAL250004618599	0	41	-1.0	-34.23	306.95	4.64	-29.59
CCC(CC)(NC(=O)C1(F)CCCCC1)C1=NN=N[N-]1	REAL250004618599	1	41	-1.0	-34.20	307.01	4.65	-29.55
CCC(CC)(NC(=O)C1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL250004618600	0	35	-1.0	-42.64	294.10	3.03	-39.61
CCC(CC)(NC(=O)C1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL250004618600	1	35	-1.0	-42.62	294.04	3.02	-39.60
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)N1)C1=N[N-]N=N1	REAL250004618601	0	38	-1.0	-39.69	307.71	2.77	-36.92
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)N1)C1=NN=N[N-]1	REAL250004618601	1	38	-1.0	-39.67	307.78	2.77	-36.90
CCC(CC)(NC(=O)CC1CCCC(=O)N1)C1=N[N-]N=N1	REAL250004618602	0	42	-1.0	-41.28	318.27	1.77	-39.51
CCC(CC)(NC(=O)CC1CCCC(=O)N1)C1=NN=N[N-]1	REAL250004618602	1	42	-1.0	-41.27	318.34	1.79	-39.48
CCC(CC)(NC(=O)C1CCCSC1)C1=N[N-]N=N1	REAL250004618603	0	39	-1.0	-34.16	301.40	4.42	-29.74
CCC(CC)(NC(=O)C1CCCSC1)C1=NN=N[N-]1	REAL250004618603	1	39	-1.0	-34.15	301.47	4.43	-29.72
CCC(CC)(NC(=O)C1=NN2CCOC2=C1)C1=NN=N[N-]1	REAL250004618604	0	37	-1.0	-40.49	296.31	0.18	-40.31
CCC(CC)(NC(=O)C1=NN2CCOC2=C1)C1=N[N-]N=N1	REAL250004618604	1	37	-1.0	-40.50	296.25	0.17	-40.33
CCC(CC)(NC(=O)CC1CC1C)C1=N[N-]N=N1	REAL250004618605	0	38	-1.0	-34.45	292.79	4.35	-30.10
CCC(CC)(NC(=O)CC1CC1C)C1=NN=N[N-]1	REAL250004618605	1	38	-1.0	-34.41	292.86	4.36	-30.05
C#CC1=CC=CC=C1CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618606	0	40	-1.0	-37.37	325.66	6.19	-31.18
C#CC1=CC=CC=C1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618606	1	40	-1.0	-37.38	325.72	6.21	-31.17
CCC(CC)(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004618607	0	37	-1.0	-42.05	296.17	-2.13	-44.18
CCC(CC)(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004618607	1	37	-1.0	-42.07	296.24	-2.12	-44.19
C=CC(=O)N(CC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618608	0	42	-1.0	-41.90	326.28	3.61	-38.29
C=CC(=O)N(CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618608	1	42	-1.0	-41.93	326.34	3.62	-38.31
CCC(CC)(NC(=O)C1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004618609	0	34	-1.0	-41.62	276.19	0.87	-40.75
CCC(CC)(NC(=O)C1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004618609	1	34	-1.0	-41.62	276.13	0.87	-40.75
CCC(CC)(NC(=O)C1=C(C)SN=C1C)C1=N[N-]N=N1	REAL250004618610	0	37	-1.0	-34.08	299.55	3.17	-30.91
CCC(CC)(NC(=O)C1=C(C)SN=C1C)C1=NN=N[N-]1	REAL250004618610	1	37	-1.0	-34.06	299.62	3.18	-30.88
CCC(CC)(NC(=O)C1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL250004618611	0	38	-1.0	-36.88	308.27	3.32	-33.56
CCC(CC)(NC(=O)C1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL250004618611	1	38	-1.0	-36.88	308.20	3.32	-33.56
CCC(CC)(NC(=O)C1(F)CCOC1)C1=N[N-]N=N1	REAL250004618612	0	36	-1.0	-33.73	279.53	1.54	-32.19
CCC(CC)(NC(=O)C1(F)CCOC1)C1=NN=N[N-]1	REAL250004618612	1	36	-1.0	-33.74	279.59	1.54	-32.20
CCC(CC)(NC(=O)C1(CCF)CC1)C1=N[N-]N=N1	REAL250004618613	0	38	-1.0	-35.18	292.49	4.60	-30.58
CCC(CC)(NC(=O)C1(CCF)CC1)C1=NN=N[N-]1	REAL250004618613	1	38	-1.0	-35.17	292.53	4.59	-30.58
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CN1C	REAL250004618614	0	42	-1.0	-39.90	322.57	5.22	-34.68
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CN1C	REAL250004618614	1	42	-1.0	-39.91	322.63	5.24	-34.67
CCC(CC)(NC(=O)CN1C=CN=C1)C1=N[N-]N=N1	REAL250004618615	0	35	-1.0	-38.52	281.34	4.18	-34.34
CCC(CC)(NC(=O)CN1C=CN=C1)C1=NN=N[N-]1	REAL250004618615	1	35	-1.0	-38.51	281.41	4.20	-34.31
CCC(CC)(NC(=O)CN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004618616	0	35	-1.0	-38.41	297.06	3.18	-35.23
CCC(CC)(NC(=O)CN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004618616	1	35	-1.0	-38.36	297.00	3.17	-35.19
CCC(CC)(NC(=O)CC1=NN=C(C)O1)C1=N[N-]N=N1	REAL250004618617	0	36	-1.0	-40.83	292.58	-1.97	-42.80
CCC(CC)(NC(=O)CC1=NN=C(C)O1)C1=NN=N[N-]1	REAL250004618617	1	36	-1.0	-40.88	292.64	-1.96	-42.84
CCC(CC)(NC(=O)CC1(C)CCCC1)C1=N[N-]N=N1	REAL250004618618	0	44	-1.0	-33.77	318.18	5.22	-28.55
CCC(CC)(NC(=O)CC1(C)CCCC1)C1=NN=N[N-]1	REAL250004618618	1	44	-1.0	-33.80	318.25	5.23	-28.57
CCC(CC)(NC(=O)CCCCCC#N)C1=N[N-]N=N1	REAL250004618619	0	41	-1.0	-40.70	325.83	4.98	-35.72
CCC(CC)(NC(=O)CCCCCC#N)C1=NN=N[N-]1	REAL250004618619	1	41	-1.0	-40.67	325.90	5.00	-35.67
CCOC1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004618620	0	42	-1.0	-34.75	322.42	3.38	-31.37
CCOC1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004618620	1	42	-1.0	-34.76	322.48	3.40	-31.36
CCC(CC)(NC(=O)C1CC(=O)N1)C1=N[N-]N=N1	REAL250004618621	0	33	-1.0	-38.14	264.14	-1.40	-39.54
CCC(CC)(NC(=O)C1CC(=O)N1)C1=NN=N[N-]1	REAL250004618621	1	33	-1.0	-38.12	264.20	-1.40	-39.52
CCC(CC)(NC(=O)C1=C(C)NC(=O)N1)C1=N[N-]N=N1	REAL250004618622	0	36	-1.0	-37.78	284.73	-0.13	-37.91
CCC(CC)(NC(=O)C1=C(C)NC(=O)N1)C1=NN=N[N-]1	REAL250004618622	1	36	-1.0	-37.78	284.80	-0.12	-37.90
CCC(CC)(NC(=O)CC1=NN=C(C)N1)C1=N[N-]N=N1	REAL250004618623	0	37	-1.0	-44.89	295.71	2.38	-42.51
CCC(CC)(NC(=O)CC1=NN=C(C)N1)C1=NN=N[N-]1	REAL250004618623	1	37	-1.0	-44.88	295.77	2.39	-42.49
CCC(CC)(NC(=O)C1CCNC1=O)C1=N[N-]N=N1	REAL250004618624	0	36	-1.0	-42.98	279.12	-0.10	-43.08
CCC(CC)(NC(=O)C1CCNC1=O)C1=NN=N[N-]1	REAL250004618624	1	36	-1.0	-42.96	279.18	-0.08	-43.04
CCC(CC)(NC(=O)C1=CC(C(F)F)=NN1)C1=N[N-]N=N1	REAL250004618625	0	35	-1.0	-33.36	291.96	1.86	-31.50
CCC(CC)(NC(=O)C1=CC(C(F)F)=NN1)C1=NN=N[N-]1	REAL250004618625	1	35	-1.0	-33.37	292.03	1.87	-31.50
CCC(CC)(NC(=O)CN(C)C1CCC1)C1=NN=N[N-]1	REAL250004618626	1	43	-1.0	-34.23	320.87	2.66	-31.57
CCC(CC)(NC(=O)C=CC1=NC=CN1)C1=N[N-]N=N1	REAL250004618627	0	36	-1.0	-39.95	292.79	2.59	-37.36
CCC(CC)(NC(=O)C=CC1=NC=CN1)C1=NN=N[N-]1	REAL250004618627	1	36	-1.0	-39.95	292.86	2.60	-37.35
CCC(CC)(NC(=O)C(C)CC1=CNC=N1)C1=N[N-]N=N1	REAL250004618628	0	41	-1.0	-39.03	315.43	4.54	-34.49
CCC(CC)(NC(=O)C(C)CC1=CNC=N1)C1=NN=N[N-]1	REAL250004618628	1	41	-1.0	-39.04	315.50	4.55	-34.49
CCC(CC)(NC(=O)C(C)CC1=CN=CN1)C1=N[N-]N=N1	REAL250004618628	1	41	-1.0	-37.37	316.72	3.83	-33.54
CCC(CC)(NC(=O)CC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004618629	0	42	-1.0	-38.75	316.56	1.52	-37.23
CCC(CC)(NC(=O)CC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004618629	1	42	-1.0	-38.83	316.62	1.52	-37.31
CCC(CC)(NC(=O)COCC1CCCC1)C1=N[N-]N=N1	REAL250004618630	0	45	-1.0	-36.09	340.43	5.05	-31.04
CCC(CC)(NC(=O)COCC1CCCC1)C1=NN=N[N-]1	REAL250004618630	1	45	-1.0	-36.09	340.49	5.06	-31.03
CCC(CC)(NC(=O)CC1CC2CCC1O2)C1=N[N-]N=N1	REAL250004618631	0	43	-1.0	-35.04	317.78	3.45	-31.59
CCC(CC)(NC(=O)CC1CC2CCC1O2)C1=NN=N[N-]1	REAL250004618631	1	43	-1.0	-35.07	317.85	3.45	-31.62
CCC(CC)(NC(=O)C1=CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004618632	0	45	-1.0	-35.01	327.79	5.61	-29.40
CCC(CC)(NC(=O)C1=CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004618632	1	45	-1.0	-35.01	327.86	5.63	-29.38
CCC(CC)(NC(=O)C1=CCC(C)CC1)C1=N[N-]N=N1	REAL250004618633	0	42	-1.0	-35.07	312.67	5.28	-29.79
CCC(CC)(NC(=O)C1=CCC(C)CC1)C1=NN=N[N-]1	REAL250004618633	1	42	-1.0	-35.05	312.73	5.29	-29.76
CCC(CC)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=N[N-]N=N1	REAL250004618634	0	40	-1.0	-37.17	297.61	2.52	-34.65
CCC(CC)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=NN=N[N-]1	REAL250004618634	1	40	-1.0	-37.15	297.67	2.53	-34.62
CCC(CC)(NC(=O)CCCCC(C)C)C1=N[N-]N=N1	REAL250004618635	0	46	-1.0	-34.29	344.05	5.75	-28.54
CCC(CC)(NC(=O)CCCCC(C)C)C1=NN=N[N-]1	REAL250004618635	1	46	-1.0	-34.28	344.11	5.76	-28.52
CCC(CC)(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=N[N-]N=N1	REAL250004618636	0	41	-1.0	-41.31	304.93	5.33	-35.98
CCC(CC)(NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=NN=N[N-]1	REAL250004618636	1	41	-1.0	-41.27	304.99	5.34	-35.93
CCC(CC)(NC(=O)CC1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004618637	0	42	-1.0	-37.25	321.01	2.71	-34.54
CCC(CC)(NC(=O)CC1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004618637	1	42	-1.0	-37.23	321.07	2.72	-34.51
CCC(CC)(NC(=O)CC1CC(=O)N1)C1=N[N-]N=N1	REAL250004618638	0	36	-1.0	-39.29	285.04	-0.43	-39.72
CCC(CC)(NC(=O)CC1CC(=O)N1)C1=NN=N[N-]1	REAL250004618638	1	36	-1.0	-39.31	285.10	-0.43	-39.74
CCC(CC)(NC(=O)C1CCOC(=O)N1)C1=N[N-]N=N1	REAL250004618639	0	37	-1.0	-39.31	290.36	-0.03	-39.34
CCC(CC)(NC(=O)C1CCOC(=O)N1)C1=NN=N[N-]1	REAL250004618639	1	37	-1.0	-39.31	290.43	-0.03	-39.34
CCC(CC)(NC(=O)C(C)C1CCC(=O)N1)C1=N[N-]N=N1	REAL250004618640	0	42	-1.0	-40.78	317.03	1.42	-39.36
CCC(CC)(NC(=O)C(C)C1CCC(=O)N1)C1=NN=N[N-]1	REAL250004618640	1	42	-1.0	-40.79	317.09	1.44	-39.35
CCC(CC)(NC(=O)C1=CSC(CO)=N1)C1=N[N-]N=N1	REAL250004618641	0	35	-1.0	-41.51	296.45	-1.19	-42.70
CCC(CC)(NC(=O)C1=CSC(CO)=N1)C1=NN=N[N-]1	REAL250004618641	1	35	-1.0	-41.54	296.52	-1.18	-42.72
CCC(CC)(NC(=O)CCC1=CNN=C1)C1=NN=N[N-]1	REAL250004618642	0	38	-1.0	-37.54	301.81	2.41	-35.13
CCC(CC)(NC(=O)CCC1=CNN=C1)C1=N[N-]N=N1	REAL250004618642	1	38	-1.0	-37.59	301.74	2.40	-35.19
CCC1=NN=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL250004618643	0	36	-1.0	-38.11	302.48	1.95	-36.16
CCC1=NN=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL250004618643	1	36	-1.0	-38.12	302.55	1.97	-36.15
CCC(CC)(NC(=O)C(C)C1CCC1)C1=N[N-]N=N1	REAL250004618644	0	41	-1.0	-34.25	306.34	4.80	-29.45
CCC(CC)(NC(=O)C(C)C1CCC1)C1=NN=N[N-]1	REAL250004618644	1	41	-1.0	-34.23	306.41	4.81	-29.42
CCC(CC)(NC(=O)C1=CC(C)=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004618645	0	38	-1.0	-36.49	313.31	3.63	-32.86
CCC(CC)(NC(=O)C1=CC(C)=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004618645	1	38	-1.0	-36.48	313.38	3.64	-32.84
CCC(CC(F)F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618646	0	40	-1.0	-35.98	311.47	4.26	-31.72
CCC(CC(F)F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618646	1	40	-1.0	-35.98	311.54	4.28	-31.70
CCC(C)(C)OCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618647	0	44	-1.0	-35.96	326.17	4.09	-31.87
CCC(C)(C)OCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618647	1	44	-1.0	-35.99	326.23	4.10	-31.89
CCC(CC)(NC(=O)C1CC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004618648	0	47	-1.0	-34.63	340.49	5.63	-29.00
CCC(CC)(NC(=O)C1CC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004618648	1	47	-1.0	-34.63	340.56	5.64	-28.99
CCC(CC)(NC(=O)C#CC(C)(C)C)C1=N[N-]N=N1	REAL250004618649	0	39	-1.0	-35.80	310.00	4.72	-31.08
CCC(CC)(NC(=O)C#CC(C)(C)C)C1=NN=N[N-]1	REAL250004618649	1	39	-1.0	-35.77	310.06	4.73	-31.04
CCC(CC)(NC(=O)CC1=NON=C1C)C1=N[N-]N=N1	REAL250004618650	0	36	-1.0	-39.66	291.93	1.76	-37.90
CCC(CC)(NC(=O)CC1=NON=C1C)C1=NN=N[N-]1	REAL250004618650	1	36	-1.0	-39.65	291.99	1.77	-37.88
CCC(CC)(NC(=O)C1=NN(C)C=C1C)C1=NN=N[N-]1	REAL250004618651	0	38	-1.0	-41.62	300.00	2.93	-38.69
CCC(CC)(NC(=O)C1=NN(C)C=C1C)C1=N[N-]N=N1	REAL250004618651	1	38	-1.0	-41.59	299.93	2.91	-38.68
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004618652	0	42	-1.0	-35.45	328.41	6.47	-28.98
CCC(CC)(NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004618652	1	42	-1.0	-35.47	328.48	6.48	-28.99
CCC(CC)(NC(=O)C1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004618653	0	34	-1.0	-33.29	287.67	3.18	-30.11
CCC(CC)(NC(=O)C1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004618653	1	34	-1.0	-33.24	287.61	3.16	-30.08
CCC(CC)(NC(=O)C(O)C1CCC1)C1=N[N-]N=N1	REAL250004618654	0	39	-1.0	-33.83	294.96	2.26	-31.57
CCC(CC)(NC(=O)C(O)C1CCC1)C1=NN=N[N-]1	REAL250004618654	1	39	-1.0	-33.83	295.03	2.27	-31.56
CCC(CC(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618655	0	46	-1.0	-34.15	334.75	5.44	-28.71
CCC(CC(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618655	1	46	-1.0	-34.13	334.82	5.45	-28.68
CCC(CC)(NC(=O)C1=CC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004618656	0	38	-1.0	-54.27	305.06	3.86	-50.41
CCC(CC)(NC(=O)C1=CC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004618656	1	38	-1.0	-54.30	305.00	3.85	-50.45
CCC(CC)(NC(=O)C1=C(C)C=NN1C)C1=NN=N[N-]1	REAL250004618657	0	38	-1.0	-35.35	299.26	2.63	-32.72
CCC(CC)(NC(=O)C1=C(C)C=NN1C)C1=N[N-]N=N1	REAL250004618657	1	38	-1.0	-35.33	299.19	2.62	-32.71
CCC(CC)(NC(=O)CC(C)(C)COC)C1=N[N-]N=N1	REAL250004618658	0	44	-1.0	-34.77	325.28	3.23	-31.54
CCC(CC)(NC(=O)CC(C)(C)COC)C1=NN=N[N-]1	REAL250004618658	1	44	-1.0	-34.74	325.34	3.25	-31.49
CCC(CC)(NC(=O)C1CCC(F)CC1)C1=N[N-]N=N1	REAL250004618659	0	41	-1.0	-33.68	307.25	4.88	-28.80
CCC(CC)(NC(=O)C1CCC(F)CC1)C1=NN=N[N-]1	REAL250004618659	1	41	-1.0	-33.65	307.31	4.89	-28.76
CCC1=CC=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618660	0	40	-1.0	-39.72	315.35	4.13	-35.59
CCC1=CC=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618660	1	40	-1.0	-39.75	315.41	4.15	-35.60
CCC(CC)(NC(=O)CC1CC(F)(F)C1)C1=N[N-]N=N1	REAL250004618661	0	38	-1.0	-35.94	301.64	4.36	-31.58
CCC(CC)(NC(=O)CC1CC(F)(F)C1)C1=NN=N[N-]1	REAL250004618661	1	38	-1.0	-35.95	301.71	4.38	-31.57
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=N1)C1=N[N-]N=N1	REAL250004618662	0	40	-1.0	-39.66	312.41	3.90	-35.76
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=N1)C1=NN=N[N-]1	REAL250004618662	1	40	-1.0	-39.67	312.48	3.91	-35.76
CCC(CC)(NC(=O)C1=C(OC)N(C)N=C1)C1=NN=N[N-]1	REAL250004618663	0	39	-1.0	-38.08	312.38	1.52	-36.56
CCC(CC)(NC(=O)C1=C(OC)N(C)N=C1)C1=N[N-]N=N1	REAL250004618663	1	39	-1.0	-38.06	312.32	1.53	-36.53
CCC(CC)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004618664	0	34	-1.0	-34.97	279.96	3.26	-31.71
CCC(CC)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004618664	1	34	-1.0	-34.97	280.02	3.28	-31.69
CCC(CC)(NC(=O)C1=CC=C(C)N=N1)C1=N[N-]N=N1	REAL250004618665	0	36	-1.0	-41.09	289.78	2.17	-38.92
CCC(CC)(NC(=O)C1=CC=C(C)N=N1)C1=NN=N[N-]1	REAL250004618665	1	36	-1.0	-41.09	289.84	2.19	-38.90
CCCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CN1	REAL250004618666	0	42	-1.0	-39.16	324.20	4.39	-34.77
CCCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CN1	REAL250004618666	1	42	-1.0	-39.18	324.26	4.40	-34.78
CCC(CC)(NC(=O)C(CC(C)C)OC)C1=N[N-]N=N1	REAL250004618667	0	44	-1.0	-34.61	332.72	4.20	-30.41
CCC(CC)(NC(=O)C(CC(C)C)OC)C1=NN=N[N-]1	REAL250004618667	1	44	-1.0	-34.66	332.78	4.21	-30.45
CCC(CC)(NC(=O)C1CCC2CC2C1)C1=N[N-]N=N1	REAL250004618668	0	42	-1.0	-33.80	308.95	5.33	-28.47
CCC(CC)(NC(=O)C1CCC2CC2C1)C1=NN=N[N-]1	REAL250004618668	1	42	-1.0	-33.78	309.02	5.35	-28.43
CCC(CC)(NC(=O)C1=CC=CC(F)=C1C)C1=N[N-]N=N1	REAL250004618669	0	38	-1.0	-33.90	296.26	5.26	-28.64
CCC(CC)(NC(=O)C1=CC=CC(F)=C1C)C1=NN=N[N-]1	REAL250004618669	1	38	-1.0	-33.93	296.33	5.26	-28.67
CCC(CC)(NC(=O)C=CC1=CN=CN1C)C1=N[N-]N=N1	REAL250004618670	0	39	-1.0	-39.67	310.80	4.77	-34.90
CCC(CC)(NC(=O)C=CC1=CN=CN1C)C1=NN=N[N-]1	REAL250004618670	1	39	-1.0	-39.67	310.86	4.78	-34.89
CCC(CC)(NC(=O)C1CCC(=O)N(C)C1)C1=N[N-]N=N1	REAL250004618671	0	42	-1.0	-36.36	318.33	2.66	-33.70
CCC(CC)(NC(=O)C1CCC(=O)N(C)C1)C1=NN=N[N-]1	REAL250004618671	1	42	-1.0	-36.34	318.40	2.67	-33.67
CCC(CC)(NC(=O)CC(C)N1C=CC=N1)C1=NN=N[N-]1	REAL250004618672	0	41	-1.0	-36.65	317.50	3.56	-33.09
CCC(CC)(NC(=O)CC(C)N1C=CC=N1)C1=N[N-]N=N1	REAL250004618672	1	41	-1.0	-36.66	317.43	3.55	-33.11
C=CC(=O)N(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618673	0	39	-1.0	-41.97	309.68	2.71	-39.26
C=CC(=O)N(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618673	1	39	-1.0	-41.98	309.74	2.72	-39.26
CCC(CC)(NC(=O)CC1=NNC=N1)C1=N[N-]N=N1	REAL250004618674	0	34	-1.0	-41.42	275.11	1.97	-39.45
CCC(CC)(NC(=O)CC1=NNC=N1)C1=NN=N[N-]1	REAL250004618674	1	34	-1.0	-41.46	275.17	1.99	-39.47
CCC(CC)(NC(=O)C1=CC(OC)=NS1)C1=NN=N[N-]1	REAL250004618675	0	35	-1.0	-33.20	296.47	0.31	-32.89
CCC(CC)(NC(=O)C1=CC(OC)=NS1)C1=N[N-]N=N1	REAL250004618675	1	35	-1.0	-33.20	296.40	0.30	-32.90
CCC(CC)(NC(=O)C(F)=C1CCC1)C1=N[N-]N=N1	REAL250004618676	0	36	-1.0	-35.54	285.26	4.21	-31.33
CCC(CC)(NC(=O)C(F)=C1CCC1)C1=NN=N[N-]1	REAL250004618676	1	36	-1.0	-35.57	285.33	4.22	-31.35
CCC(CC)(NC(=O)C1=CN=C(NC)C=N1)C1=NN=N[N-]1	REAL250004618677	0	38	-1.0	-38.51	302.07	0.62	-37.89
CCC(CC)(NC(=O)C1=CN=C(NC)C=N1)C1=N[N-]N=N1	REAL250004618677	1	38	-1.0	-38.51	302.00	0.61	-37.90
CCC(CC)(NC(=O)C1CCCCC1C)C1=N[N-]N=N1	REAL250004618678	0	44	-1.0	-33.94	306.08	4.92	-29.02
CCC(CC)(NC(=O)C1CCCCC1C)C1=NN=N[N-]1	REAL250004618678	1	44	-1.0	-33.92	306.15	4.93	-28.99
CCC(CC)(NC(=O)CN1C=NC(N)=N1)C1=NN=N[N-]1	REAL250004618679	0	36	-1.0	-42.66	290.19	3.67	-38.99
CCC(CC)(NC(=O)CN1C=NC(N)=N1)C1=N[N-]N=N1	REAL250004618679	1	36	-1.0	-42.69	290.13	3.66	-39.03
CCC(CC)(NC(=O)C1CCCC(F)C1)C1=N[N-]N=N1	REAL250004618680	0	41	-1.0	-34.72	306.43	4.72	-30.00
CCC(CC)(NC(=O)C1CCCC(F)C1)C1=NN=N[N-]1	REAL250004618680	1	41	-1.0	-34.75	306.50	4.74	-30.01
CCC(CC)(NC(=O)C1CN(C)C(=O)N1)C1=N[N-]N=N1	REAL250004618681	0	38	-1.0	-39.72	297.89	-0.14	-39.86
CCC(CC)(NC(=O)C1CN(C)C(=O)N1)C1=NN=N[N-]1	REAL250004618681	1	38	-1.0	-39.69	297.96	-0.12	-39.81
CCC(CC)(NC(=O)C1CCC(C)=C(C)C1)C1=N[N-]N=N1	REAL250004618682	0	45	-1.0	-34.14	331.45	5.76	-28.38
CCC(CC)(NC(=O)C1CCC(C)=C(C)C1)C1=NN=N[N-]1	REAL250004618682	1	45	-1.0	-34.12	331.52	5.78	-28.34
CCC(CC)(NC(=O)C1=CN2CCCC2=N1)C1=N[N-]N=N1	REAL250004618683	0	39	-1.0	-44.48	305.36	4.04	-40.44
CCC(CC)(NC(=O)C1=CN2CCCC2=N1)C1=NN=N[N-]1	REAL250004618683	1	39	-1.0	-44.49	305.42	4.06	-40.43
CCC(CC)(NC(=O)C1CCN(OC)CC1)C1=N[N-]N=N1	REAL250004618684	0	44	-1.0	-34.83	325.20	1.82	-33.01
CCC(CC)(NC(=O)C1CCN(OC)CC1)C1=NN=N[N-]1	REAL250004618684	1	44	-1.0	-34.79	325.27	1.83	-32.96
CCC(CC)(NC(=O)C(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004618686	0	40	-1.0	-35.77	311.65	3.91	-31.86
CCC(CC)(NC(=O)C(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004618686	1	40	-1.0	-35.79	311.72	3.93	-31.86
CCC(CC)(NC(=O)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004618687	0	42	-1.0	-34.14	316.07	5.27	-28.87
CCC(CC)(NC(=O)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004618687	1	42	-1.0	-34.13	316.13	5.28	-28.85
CCC(CC)(NC(=O)C1=CC(OC)=CC=N1)C1=NN=N[N-]1	REAL250004618688	0	38	-1.0	-39.20	302.88	2.06	-37.14
CCC(CC)(NC(=O)C1=CC(OC)=CC=N1)C1=N[N-]N=N1	REAL250004618688	1	38	-1.0	-39.15	302.81	2.05	-37.10
CCN1C=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618689	0	38	-1.0	-41.33	302.05	3.20	-38.13
CCN1C=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618689	1	38	-1.0	-41.33	301.99	3.20	-38.13
CCC(CC)(NC(=O)C=CC1CCCC1)C1=N[N-]N=N1	REAL250004618690	0	42	-1.0	-34.67	319.37	5.41	-29.26
CCC(CC)(NC(=O)C=CC1CCCC1)C1=NN=N[N-]1	REAL250004618690	1	42	-1.0	-34.67	319.43	5.42	-29.25
CCC(CC)(NC(=O)C1CCC(=O)C1)C1=N[N-]N=N1	REAL250004618691	0	37	-1.0	-36.43	287.52	3.11	-33.32
CCC(CC)(NC(=O)C1CCC(=O)C1)C1=NN=N[N-]1	REAL250004618691	1	37	-1.0	-36.40	287.58	3.13	-33.27
CCC(CC)(NC(=O)CC1(COC)CC1)C1=N[N-]N=N1	REAL250004618693	0	42	-1.0	-34.94	324.18	3.22	-31.72
CCC(CC)(NC(=O)CC1(COC)CC1)C1=NN=N[N-]1	REAL250004618693	1	42	-1.0	-34.97	324.24	3.23	-31.74
CCC(CC)(NC(=O)CC1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004618694	0	38	-1.0	-41.44	302.52	2.89	-38.55
CCC(CC)(NC(=O)CC1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004618694	1	38	-1.0	-41.45	302.59	2.90	-38.55
C=CCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=N1	REAL250004618695	0	38	-1.0	-41.25	311.36	2.19	-39.06
C=CCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=N1	REAL250004618695	1	38	-1.0	-41.22	311.30	2.17	-39.05
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=N[N-]N=N1	REAL250004618696	0	47	-1.0	-34.18	349.61	6.18	-28.00
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=NN=N[N-]1	REAL250004618696	1	47	-1.0	-34.23	349.68	6.18	-28.05
CCC(CC)(NC(=O)C1=CON=C1C)C1=N[N-]N=N1	REAL250004618697	0	34	-1.0	-34.05	273.28	2.48	-31.57
CCC(CC)(NC(=O)C1=CON=C1C)C1=NN=N[N-]1	REAL250004618697	1	34	-1.0	-34.06	273.35	2.49	-31.57
CCC(CC)(NC(=O)C1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004618698	0	35	-1.0	-40.01	286.20	-0.67	-40.68
CCC(CC)(NC(=O)C1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004618698	1	35	-1.0	-40.02	286.26	-0.66	-40.68
CCC(CC)(NC(=O)C1CCCNC1=O)C1=N[N-]N=N1	REAL250004618699	0	39	-1.0	-42.70	295.26	0.99	-41.71
CCC(CC)(NC(=O)C1CCCNC1=O)C1=NN=N[N-]1	REAL250004618699	1	39	-1.0	-42.71	295.32	1.01	-41.70
CCC(CC)(NC(=O)C1=CNC(=O)N1C)C1=N[N-]N=N1	REAL250004618700	0	36	-1.0	-36.77	284.91	1.22	-35.55
CCC(CC)(NC(=O)C1=CNC(=O)N1C)C1=NN=N[N-]1	REAL250004618700	1	36	-1.0	-36.80	284.97	1.23	-35.57
CCC=C(F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618701	0	35	-1.0	-34.39	279.31	3.55	-30.84
CCC=C(F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618701	1	35	-1.0	-34.40	279.38	3.57	-30.83
CCC(CC)(NC(=O)CC1CSC1)C1=N[N-]N=N1	REAL250004618702	0	36	-1.0	-36.02	288.17	3.82	-32.20
CCC(CC)(NC(=O)CC1CSC1)C1=NN=N[N-]1	REAL250004618702	1	36	-1.0	-36.03	288.24	3.83	-32.20
CCC(CC)(NC(=O)C1=CN(C)N=C1OC)C1=NN=N[N-]1	REAL250004618703	0	39	-1.0	-40.49	312.09	0.57	-39.92
CCC(CC)(NC(=O)C1=CN(C)N=C1OC)C1=N[N-]N=N1	REAL250004618703	1	39	-1.0	-40.46	312.03	0.56	-39.90
CCC(CC)(NC(=O)C1=COC(SC)=C1)C1=N[N-]N=N1	REAL250004618704	0	36	-1.0	-35.32	302.89	3.75	-31.57
CCC(CC)(NC(=O)C1=COC(SC)=C1)C1=NN=N[N-]1	REAL250004618704	1	36	-1.0	-35.31	302.95	3.76	-31.55
CCC(CC)(NC(=O)C1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004618706	0	42	-1.0	-35.62	324.26	6.66	-28.96
CCC(CC)(NC(=O)C1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004618706	1	42	-1.0	-35.55	324.32	6.66	-28.89
CCC(CC)(NC(=O)C1=CC=C(OC)O1)C1=N[N-]N=N1	REAL250004618707	0	36	-1.0	-35.28	293.05	2.90	-32.38
CCC(CC)(NC(=O)C1=CC=C(OC)O1)C1=NN=N[N-]1	REAL250004618707	1	36	-1.0	-35.26	293.12	2.92	-32.34
CCC(CC)(NC(=O)C1CCN1C(C)(C)C)C1=N[N-]N=N1	REAL250004618708	0	46	-1.0	-32.10	311.53	1.20	-30.90
CCC(CC)(NC(=O)C1CCN1C(C)(C)C)C1=NN=N[N-]1	REAL250004618708	1	46	-1.0	-32.15	311.60	1.21	-30.94
CCC(CC)(NC(=O)C1=C(C)N=CN1)C1=N[N-]N=N1	REAL250004618710	0	35	-1.0	-35.87	274.98	2.71	-33.16
CCC(CC)(NC(=O)C1=C(C)N=CN1)C1=NN=N[N-]1	REAL250004618710	1	35	-1.0	-35.88	275.05	2.72	-33.16
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)NC=N1	REAL250004618711	0	38	-1.0	-36.01	297.26	3.33	-32.68
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)NC=N1	REAL250004618711	1	38	-1.0	-36.03	297.33	3.34	-32.69
CCC(CC)(NC(=O)C(OC)OC)C1=N[N-]N=N1	REAL250004618712	0	36	-1.0	-37.11	278.78	1.04	-36.07
CCC(CC)(NC(=O)C(OC)OC)C1=NN=N[N-]1	REAL250004618712	1	36	-1.0	-37.10	278.84	1.06	-36.04
CCC(CC)(NC(=O)C1=CN=C(Cl)N1C)C1=NN=N[N-]1	REAL250004618713	0	35	-1.0	-33.67	291.50	3.43	-30.24
CCC(CC)(NC(=O)C1=CN=C(Cl)N1C)C1=N[N-]N=N1	REAL250004618713	1	35	-1.0	-33.63	291.44	3.42	-30.21
CCC(CC)(NC(=O)CCCCC#N)C1=N[N-]N=N1	REAL250004618714	0	38	-1.0	-39.00	304.33	4.20	-34.80
CCC(CC)(NC(=O)CCCCC#N)C1=NN=N[N-]1	REAL250004618714	1	38	-1.0	-38.98	304.40	4.21	-34.77
CCC(CC)(NC(=O)C(C)=CC1=CC=CO1)C1=N[N-]N=N1	REAL250004618715	0	39	-1.0	-36.92	305.35	4.62	-32.30
CCC(CC)(NC(=O)C(C)=CC1=CC=CO1)C1=NN=N[N-]1	REAL250004618715	1	39	-1.0	-36.96	305.42	4.64	-32.32
CCC(CC)(NC(=O)C1=COC(CO)=C1)C1=N[N-]N=N1	REAL250004618716	0	36	-1.0	-38.51	292.56	-0.09	-38.60
CCC(CC)(NC(=O)C1=COC(CO)=C1)C1=NN=N[N-]1	REAL250004618716	1	36	-1.0	-38.53	292.63	-0.08	-38.61
CCC(CC)(NC(=O)C1CSC1)C1=N[N-]N=N1	REAL250004618717	0	33	-1.0	-35.91	266.21	2.96	-32.95
CCC(CC)(NC(=O)C1CSC1)C1=NN=N[N-]1	REAL250004618717	1	33	-1.0	-35.93	266.28	2.97	-32.96
CCC(CC)(NC(=O)[C@H]1CC[C@H](C)CC1)C1=N[N-]N=N1	REAL250004618718	0	44	-1.0	-33.91	322.50	5.30	-28.61
CCC(CC)(NC(=O)[C@H]1CC[C@H](C)CC1)C1=NN=N[N-]1	REAL250004618718	1	44	-1.0	-33.92	322.56	5.31	-28.61
CCC(CO)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618720	0	38	-1.0	-36.90	286.52	0.54	-36.36
CCC(CO)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618720	1	38	-1.0	-36.92	286.58	0.55	-36.37
CCC(CC)(NC(=O)CNC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004618721	0	39	-1.0	-36.55	308.17	2.51	-34.04
CCC(CC)(NC(=O)CNC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004618721	1	39	-1.0	-36.57	308.24	2.52	-34.05
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=N[N-]N=N1	REAL250004618722	0	42	-1.0	-34.36	319.93	5.76	-28.60
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1=NN=N[N-]1	REAL250004618722	1	42	-1.0	-34.35	319.99	5.77	-28.58
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=N[N-]N=N1	REAL250004618723	0	43	-1.0	-34.56	312.43	5.40	-29.16
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=NN=N[N-]1	REAL250004618723	1	43	-1.0	-34.48	312.50	5.41	-29.07
CCC(CC)(NC(=O)CC(C)N1C=CN=C1)C1=N[N-]N=N1	REAL250004618724	0	41	-1.0	-36.08	318.06	5.05	-31.03
CCC(CC)(NC(=O)CC(C)N1C=CN=C1)C1=NN=N[N-]1	REAL250004618724	1	41	-1.0	-36.14	318.12	5.06	-31.08
CCN1C=CC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618725	0	41	-1.0	-41.40	324.05	3.74	-37.66
CCN1C=CC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618725	1	41	-1.0	-41.41	324.12	3.75	-37.66
CCC(CC)(NC(=O)[C@]12C[C@H]1COC2)C1=N[N-]N=N1	REAL250004618726	0	37	-1.0	-36.08	286.63	2.12	-33.96
CCC(CC)(NC(=O)[C@]12C[C@H]1COC2)C1=NN=N[N-]1	REAL250004618726	1	37	-1.0	-36.10	286.70	2.14	-33.96
CCC1=NOC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618727	0	37	-1.0	-33.97	294.78	3.21	-30.76
CCC1=NOC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618727	1	37	-1.0	-33.94	294.85	3.23	-30.71
CCC(C#N)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618728	0	35	-1.0	-36.74	280.09	3.07	-33.67
CCC(C#N)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618728	1	35	-1.0	-36.73	280.15	3.08	-33.65
CCC(CC)(NC(=O)C1CC1C1CCCC1)C1=N[N-]N=N1	REAL250004618729	0	45	-1.0	-34.83	324.83	5.96	-28.87
CCC(CC)(NC(=O)C1CC1C1CCCC1)C1=NN=N[N-]1	REAL250004618729	1	45	-1.0	-34.81	324.89	5.96	-28.85
CCC(CC)(NC(=O)CC1(CSC)CC1)C1=N[N-]N=N1	REAL250004618730	0	42	-1.0	-34.60	333.56	5.29	-29.31
CCC(CC)(NC(=O)CC1(CSC)CC1)C1=NN=N[N-]1	REAL250004618730	1	42	-1.0	-34.63	333.62	5.30	-29.33
CCC(CC)(NC(=O)C=C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004618731	0	44	-1.0	-34.70	324.47	5.09	-29.61
CCC(CC)(NC(=O)C=C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004618731	1	44	-1.0	-34.69	324.53	5.11	-29.58
CCC(CC)(NC(=O)C=CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004618732	0	38	-1.0	-44.17	311.11	2.19	-41.98
CCC(CC)(NC(=O)C=CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004618732	1	38	-1.0	-44.22	311.17	2.21	-42.01
CCC(CC)(NC(=O)C1=CSC(NC)=N1)C1=NN=N[N-]1	REAL250004618733	0	36	-1.0	-38.58	300.84	1.53	-37.05
CCC(CC)(NC(=O)C1=CSC(NC)=N1)C1=N[N-]N=N1	REAL250004618733	1	36	-1.0	-38.58	300.77	1.51	-37.07
CCC(CC)(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004618734	0	39	-1.0	-34.06	311.97	5.07	-28.99
CCC(CC)(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004618734	1	39	-1.0	-34.05	312.03	5.07	-28.98
CCC(CC)(NC(=O)C(O)C(C)(C)O)C1=N[N-]N=N1	REAL250004618735	0	39	-1.0	-33.66	284.77	-0.95	-34.61
CCC(CC)(NC(=O)C(O)C(C)(C)O)C1=NN=N[N-]1	REAL250004618735	1	39	-1.0	-33.66	284.83	-0.93	-34.59
CCC(O)C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618736	0	41	-1.0	-36.77	308.07	1.90	-34.87
CCC(O)C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618736	1	41	-1.0	-36.76	308.14	1.91	-34.85
CCC1=CNC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004618737	0	41	-1.0	-41.50	322.45	3.18	-38.32
CCC1=CNC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004618737	1	41	-1.0	-41.45	322.51	3.20	-38.25
CCC(CC)(NC(=O)C1CC2CC2C1)C1=N[N-]N=N1	REAL250004618738	0	39	-1.0	-34.74	293.43	4.75	-29.99
CCC(CC)(NC(=O)C1CC2CC2C1)C1=NN=N[N-]1	REAL250004618738	1	39	-1.0	-34.77	293.50	4.76	-30.01
CCC(CC)(NC(=O)C=C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004618739	0	39	-1.0	-36.11	309.93	4.51	-31.60
CCC(CC)(NC(=O)C=C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004618739	1	39	-1.0	-36.12	310.00	4.53	-31.59
CC=CC(O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618740	0	36	-1.0	-34.19	286.20	1.26	-32.93
CC=CC(O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618740	1	36	-1.0	-34.18	286.26	1.28	-32.90
CCC(CC)(NC(=O)CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL250004618741	0	40	-1.0	-36.99	312.52	3.82	-33.17
CCC(CC)(NC(=O)CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL250004618741	1	40	-1.0	-37.02	312.59	3.83	-33.19
CCC(CC)(NC(=O)C1=CC=NN1C(F)F)C1=NN=N[N-]1	REAL250004618742	0	35	-1.0	-34.90	287.38	2.37	-32.53
CCC(CC)(NC(=O)C1=CC=NN1C(F)F)C1=N[N-]N=N1	REAL250004618742	1	35	-1.0	-34.86	287.32	2.36	-32.50
CCC(CC)(NC(=O)C1CCCC2CC21)C1=N[N-]N=N1	REAL250004618743	0	42	-1.0	-34.29	308.30	5.27	-29.02
CCC(CC)(NC(=O)C1CCCC2CC21)C1=NN=N[N-]1	REAL250004618743	1	42	-1.0	-34.27	308.37	5.29	-28.98
CCC(CC)(NC(=O)C1=CC=C(CF)C=C1)C1=N[N-]N=N1	REAL250004618744	0	38	-1.0	-36.47	303.81	5.25	-31.22
CCC(CC)(NC(=O)C1=CC=C(CF)C=C1)C1=NN=N[N-]1	REAL250004618744	1	38	-1.0	-36.46	303.88	5.27	-31.19
CCC(CC)(NC(=O)C(OC)C1CCOC1)C1=N[N-]N=N1	REAL250004618745	0	43	-1.0	-36.84	321.34	2.33	-34.51
CCC(CC)(NC(=O)C(OC)C1CCOC1)C1=NN=N[N-]1	REAL250004618745	1	43	-1.0	-36.84	321.41	2.34	-34.50
CCC(CC)(NC(=O)CCC1CC1(F)F)C1=N[N-]N=N1	REAL250004618746	0	38	-1.0	-36.76	305.63	4.61	-32.15
CCC(CC)(NC(=O)CCC1CC1(F)F)C1=NN=N[N-]1	REAL250004618746	1	38	-1.0	-36.72	305.70	4.63	-32.09
CCC(CC)(NC(=O)CCOCCCOC)C1=N[N-]N=N1	REAL250004618747	0	45	-1.0	-35.50	351.18	2.05	-33.45
CCC(CC)(NC(=O)CCOCCCOC)C1=NN=N[N-]1	REAL250004618747	1	45	-1.0	-35.50	351.25	2.06	-33.44
CCC(CC)(NC(=O)CC1=C(C)C=CO1)C1=N[N-]N=N1	REAL250004618748	0	38	-1.0	-37.12	301.80	3.89	-33.23
CCC(CC)(NC(=O)CC1=C(C)C=CO1)C1=NN=N[N-]1	REAL250004618748	1	38	-1.0	-37.10	301.86	3.91	-33.19
CCC(CC)(NC(=O)C1=CN=C2CCCN12)C1=N[N-]N=N1	REAL250004618749	0	39	-1.0	-37.61	301.70	3.96	-33.65
CCC(CC)(NC(=O)C1=CN=C2CCCN12)C1=NN=N[N-]1	REAL250004618749	1	39	-1.0	-37.58	301.77	3.97	-33.61
CCC(CC)(NC(=O)C1=CN=C(C)N=C1N)C1=N[N-]N=N1	REAL250004618750	0	38	-1.0	-34.29	297.65	1.55	-32.74
CCC(CC)(NC(=O)C1=CN=C(C)N=C1N)C1=NN=N[N-]1	REAL250004618750	1	38	-1.0	-34.31	297.71	1.57	-32.74
CCC(CC)(NC(=O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004618752	0	42	-1.0	-35.18	324.27	6.66	-28.52
CCC(CC)(NC(=O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004618752	1	42	-1.0	-35.18	324.33	6.67	-28.51
CCC(CC)(NC(=O)C(OC)C1CCCC1)C1=N[N-]N=N1	REAL250004618753	0	45	-1.0	-34.76	335.26	4.82	-29.94
CCC(CC)(NC(=O)C(OC)C1CCCC1)C1=NN=N[N-]1	REAL250004618753	1	45	-1.0	-34.78	335.32	4.84	-29.94
CCC(CC)(NC(=O)C(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL250004618754	0	41	-1.0	-35.12	319.66	4.62	-30.50
CCC(CC)(NC(=O)C(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL250004618754	1	41	-1.0	-35.11	319.72	4.64	-30.47
CCC(CC)(NC(=O)C1CCC1(C)C)C1=N[N-]N=N1	REAL250004618755	0	41	-1.0	-34.58	299.38	4.26	-30.32
CCC(CC)(NC(=O)C1CCC1(C)C)C1=NN=N[N-]1	REAL250004618755	1	41	-1.0	-34.59	299.44	4.27	-30.32
CC[C@@H]1CCO[C@@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618756	0	42	-1.0	-36.93	302.58	3.83	-33.10
CC[C@@H]1CCO[C@@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618756	1	42	-1.0	-36.92	302.65	3.85	-33.07
CCC(CC)(NC(=O)CC(C)C1CCCO1)C1=N[N-]N=N1	REAL250004618757	0	45	-1.0	-35.66	331.54	3.69	-31.97
CCC(CC)(NC(=O)CC(C)C1CCCO1)C1=NN=N[N-]1	REAL250004618757	1	45	-1.0	-35.65	331.61	3.70	-31.95
CCC(CC)(NC(=O)C1=CN(C2CC2)N=N1)C1=NN=N[N-]1	REAL250004618758	0	38	-1.0	-40.78	306.01	2.41	-38.37
CCC(CC)(NC(=O)C1=CN(C2CC2)N=N1)C1=N[N-]N=N1	REAL250004618758	1	38	-1.0	-40.78	305.94	2.41	-38.37
CCC(CC)(NC(=O)COCC(F)F)C1=N[N-]N=N1	REAL250004618759	0	35	-1.0	-41.24	288.07	2.62	-38.62
CCC(CC)(NC(=O)COCC(F)F)C1=NN=N[N-]1	REAL250004618759	1	35	-1.0	-41.23	288.14	2.63	-38.60
CCC(CC)(NC(=O)C1=COC(OC)=N1)C1=NN=N[N-]1	REAL250004618760	0	35	-1.0	-39.47	287.06	-1.81	-41.28
CCC(CC)(NC(=O)C1=COC(OC)=N1)C1=N[N-]N=N1	REAL250004618760	1	35	-1.0	-39.47	287.00	-1.81	-41.28
CCCC=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618761	0	38	-1.0	-34.81	296.63	4.29	-30.52
CCCC=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618761	1	38	-1.0	-34.84	296.69	4.30	-30.54
CCC(CC)(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=N[N-]N=N1	REAL250004618762	0	45	-1.0	-34.63	341.85	3.97	-30.66
CCC(CC)(NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=NN=N[N-]1	REAL250004618762	1	45	-1.0	-34.59	341.92	3.98	-30.61
CCC(CC)(NC(=O)C1=NC=CC=C1F)C1=NN=N[N-]1	REAL250004618763	0	34	-1.0	-41.25	277.70	2.83	-38.42
CCC(CC)(NC(=O)C1=NC=CC=C1F)C1=N[N-]N=N1	REAL250004618763	1	34	-1.0	-41.24	277.63	2.81	-38.43
CCC(CC)(NC(=O)C1=CN=C(C)O1)C1=N[N-]N=N1	REAL250004618764	0	34	-1.0	-35.57	276.06	0.01	-35.56
CCC(CC)(NC(=O)C1=CN=C(C)O1)C1=NN=N[N-]1	REAL250004618764	1	34	-1.0	-35.57	276.12	0.01	-35.56
CCC(CC)(NC(=O)C1=COC=C1C)C1=N[N-]N=N1	REAL250004618765	0	35	-1.0	-36.08	277.31	3.21	-32.87
CCC(CC)(NC(=O)C1=COC=C1C)C1=NN=N[N-]1	REAL250004618765	1	35	-1.0	-36.08	277.37	3.22	-32.86
CCC(CC)(NC(=O)C(COC)OC)C1=N[N-]N=N1	REAL250004618766	0	39	-1.0	-34.83	306.87	1.35	-33.48
CCC(CC)(NC(=O)C(COC)OC)C1=NN=N[N-]1	REAL250004618766	1	39	-1.0	-34.81	306.94	1.37	-33.44
CCC(CC)(NC(=O)[C@@H]1CCCN1C)C1=N[N-]N=N1	REAL250004618767	0	40	-1.0	-34.18	291.74	0.88	-33.30
CCC(CC)(NC(=O)[C@@H]1CCCN1C)C1=NN=N[N-]1	REAL250004618767	1	40	-1.0	-34.19	291.80	0.89	-33.30
CCC(CC)(NC(=O)[C@H]1CCCN1C)C1=N[N-]N=N1	REAL250004618768	0	40	-1.0	-35.54	301.45	1.66	-33.88
CCC(CC)(NC(=O)[C@H]1CCCN1C)C1=NN=N[N-]1	REAL250004618768	1	40	-1.0	-35.55	301.52	1.67	-33.88
CCC(CC)(NC(=O)[C@@H](C)N(C)C)C1=N[N-]N=N1	REAL250004618769	1	39	-1.0	-34.22	287.03	0.95	-33.27
CCC(CC)(NC(=O)[C@@H](C)N(C)C)C1=NN=N[N-]1	REAL250004618769	1	39	-1.0	-34.20	287.09	0.95	-33.25
CCC(CC)(NC(=O)C1=CN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004618770	0	38	-1.0	-36.06	306.80	1.78	-34.28
CCC(CC)(NC(=O)C1=CN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004618770	1	38	-1.0	-36.08	306.87	1.80	-34.28
CCC(CC)(NC(=O)CN1N=C(C)OC1=O)C1=N[N-]N=N1	REAL250004618772	0	37	-1.0	-42.07	304.80	-0.05	-42.12
CCC(CC)(NC(=O)CN1N=C(C)OC1=O)C1=NN=N[N-]1	REAL250004618772	1	37	-1.0	-42.05	304.86	-0.03	-42.08
CCC(CC)(NC(=O)CC(C)C1=CC=CO1)C1=N[N-]N=N1	REAL250004618773	0	41	-1.0	-35.13	319.32	4.60	-30.53
CCC(CC)(NC(=O)CC(C)C1=CC=CO1)C1=NN=N[N-]1	REAL250004618773	1	41	-1.0	-35.13	319.39	4.61	-30.52
CCCC(OCC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618774	0	44	-1.0	-35.48	332.69	4.43	-31.05
CCCC(OCC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618774	1	44	-1.0	-35.50	332.76	4.45	-31.05
CCC(CC)(NC(=O)C1CC(OC)C1)C1=N[N-]N=N1	REAL250004618775	0	39	-1.0	-36.37	300.67	2.38	-33.99
CCC(CC)(NC(=O)C1CC(OC)C1)C1=NN=N[N-]1	REAL250004618775	1	39	-1.0	-36.36	300.73	2.39	-33.97
CCOC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CC1	REAL250004618776	0	42	-1.0	-35.46	321.98	4.71	-30.75
CCOC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CC1	REAL250004618776	1	42	-1.0	-35.38	322.05	4.72	-30.66
CCC(CC)(NC(=O)C=CC1=CC=CS1)C1=N[N-]N=N1	REAL250004618777	0	36	-1.0	-35.99	300.63	4.72	-31.27
CCC(CC)(NC(=O)C=CC1=CC=CS1)C1=NN=N[N-]1	REAL250004618777	1	36	-1.0	-35.99	300.69	4.73	-31.26
CCC(CC)(NC(=O)C1=CN(C2CC2)N=C1)C1=NN=N[N-]1	REAL250004618778	0	39	-1.0	-37.90	310.59	3.73	-34.17
CCC(CC)(NC(=O)C1=CN(C2CC2)N=C1)C1=N[N-]N=N1	REAL250004618778	1	39	-1.0	-37.88	310.53	3.72	-34.16
CCC(CC)(NC(=O)[C@@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004618779	0	34	-1.0	-39.04	271.67	-1.18	-40.22
CCC(CC)(NC(=O)[C@@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004618779	1	34	-1.0	-39.03	271.73	-1.18	-40.21
CCC(CC)(NC(=O)CC1=CSC=N1)C1=N[N-]N=N1	REAL250004618780	0	34	-1.0	-38.19	283.20	2.40	-35.79
CCC(CC)(NC(=O)CC1=CSC=N1)C1=NN=N[N-]1	REAL250004618780	1	34	-1.0	-38.18	283.26	2.41	-35.77
CCC(CC)(NC(=O)C1CCCC2(CC2)C1)C1=N[N-]N=N1	REAL250004618781	0	45	-1.0	-33.93	333.07	5.97	-27.96
CCC(CC)(NC(=O)C1CCCC2(CC2)C1)C1=NN=N[N-]1	REAL250004618781	1	45	-1.0	-33.99	333.13	5.99	-28.00
CCCN1N=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618782	0	41	-1.0	-34.06	319.46	3.79	-30.27
CCCN1N=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618782	1	41	-1.0	-34.08	319.40	3.78	-30.30
CCC(CC)(NC(=O)CN1C=NC=C1C)C1=NN=N[N-]1	REAL250004618783	0	38	-1.0	-38.39	301.42	4.65	-33.74
CCC(CC)(NC(=O)CN1C=NC=C1C)C1=N[N-]N=N1	REAL250004618783	1	38	-1.0	-38.40	301.35	4.64	-33.76
CCC(CC)(NC(=O)C1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004618784	0	35	-1.0	-34.27	293.97	2.59	-31.68
CCC(CC)(NC(=O)C1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004618784	1	35	-1.0	-34.27	293.92	2.58	-31.69
CCC(F)(F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618785	0	34	-1.0	-33.01	272.24	3.04	-29.97
CCC(F)(F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618785	1	34	-1.0	-33.01	272.30	3.05	-29.96
CCC(CC)(NC(=O)C(OC)C1CCC1)C1=N[N-]N=N1	REAL250004618786	0	42	-1.0	-35.94	311.81	4.15	-31.79
CCC(CC)(NC(=O)C(OC)C1CCC1)C1=NN=N[N-]1	REAL250004618786	1	42	-1.0	-35.88	311.87	4.17	-31.71
CCCCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004618787	0	49	-1.0	-34.13	346.10	6.26	-27.87
CCCCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004618787	1	49	-1.0	-34.14	346.16	6.27	-27.87
CCN1C=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618788	0	38	-1.0	-42.23	302.49	4.70	-37.53
CCN1C=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618788	1	38	-1.0	-42.23	302.43	4.70	-37.53
CCC(CC)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=N[N-]N=N1	REAL250004618789	0	37	-1.0	-34.23	286.06	2.35	-31.88
CCC(CC)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=NN=N[N-]1	REAL250004618789	1	37	-1.0	-34.26	286.12	2.35	-31.91
CCC(CC)(NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=N[N-]N=N1	REAL250004618790	0	39	-1.0	-34.08	294.71	4.74	-29.34
CCC(CC)(NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=NN=N[N-]1	REAL250004618790	1	39	-1.0	-34.07	294.78	4.75	-29.32
CCC(CC)(NC(=O)C1CCC2(CC2)CC1)C1=N[N-]N=N1	REAL250004618791	0	45	-1.0	-33.86	332.98	5.99	-27.87
CCC(CC)(NC(=O)C1CCC2(CC2)CC1)C1=NN=N[N-]1	REAL250004618791	1	45	-1.0	-33.90	333.04	6.00	-27.90
CCC(CC)(NC(=O)C1=NN(C)C=C1Cl)C1=NN=N[N-]1	REAL250004618792	0	35	-1.0	-40.71	295.86	2.87	-37.84
CCC(CC)(NC(=O)C1=NN(C)C=C1Cl)C1=N[N-]N=N1	REAL250004618792	1	35	-1.0	-40.71	295.79	2.87	-37.84
CCC(CC)(NC(=O)C1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL250004618793	0	32	-1.0	-35.49	280.87	3.96	-31.53
CCC(CC)(NC(=O)C1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL250004618793	1	32	-1.0	-35.53	280.94	3.97	-31.56
CCC(CC)(NC(=O)C1=NC=CN=C1C)C1=N[N-]N=N1	REAL250004618794	0	36	-1.0	-37.37	283.34	1.62	-35.75
CCC(CC)(NC(=O)C1=NC=CN=C1C)C1=NN=N[N-]1	REAL250004618794	1	36	-1.0	-37.34	283.41	1.61	-35.73
CCC(CC)(NC(=O)C1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004618795	0	39	-1.0	-34.72	299.16	4.76	-29.96
CCC(CC)(NC(=O)C1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004618795	1	39	-1.0	-34.70	299.22	4.77	-29.93
CCC(CC)(NC(=O)CCC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004618796	0	40	-1.0	-41.87	318.68	2.40	-39.47
CCC(CC)(NC(=O)CCC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004618796	1	40	-1.0	-41.89	318.74	2.41	-39.48
CCC(CC)(NC(=O)C1=CC(Cl)=NO1)C1=NN=N[N-]1	REAL250004618797	0	31	-1.0	-32.37	271.72	2.30	-30.07
CCC(CC)(NC(=O)C1=CC(Cl)=NO1)C1=N[N-]N=N1	REAL250004618797	1	31	-1.0	-32.37	271.66	2.29	-30.08
CCC(CC)(NC(=O)[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004618798	0	34	-1.0	-39.32	272.91	-1.28	-40.60
CCC(CC)(NC(=O)[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004618798	1	34	-1.0	-39.34	272.97	-1.27	-40.61
CCC(CC)(NC(=O)C1CNC(=O)N1C)C1=N[N-]N=N1	REAL250004618799	0	38	-1.0	-39.36	296.08	-0.09	-39.45
CCC(CC)(NC(=O)C1CNC(=O)N1C)C1=NN=N[N-]1	REAL250004618799	1	38	-1.0	-39.38	296.14	-0.07	-39.45
CCC(CC)(NC(=O)[C@H](C)N(C)C)C1=N[N-]N=N1	REAL250004618800	1	39	-1.0	-34.27	287.34	0.96	-33.31
CCC(CC)(NC(=O)[C@H](C)N(C)C)C1=NN=N[N-]1	REAL250004618800	1	39	-1.0	-34.27	287.40	0.96	-33.31
CCC(C)(C)C(=O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618801	0	42	-1.0	-34.75	312.03	3.67	-31.08
CCC(C)(C)C(=O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618801	1	42	-1.0	-34.75	312.09	3.68	-31.07
CCC(CC)(NC(=O)[C@H]1C[C@@H](O)C1)C1=N[N-]N=N1	REAL250004618802	0	36	-1.0	-37.26	278.63	-0.01	-37.27
CCC(CC)(NC(=O)[C@H]1C[C@@H](O)C1)C1=NN=N[N-]1	REAL250004618802	1	36	-1.0	-37.21	278.70	0.00	-37.21
CCC(CC)(NC(=O)C1CN(C)CC(C)O1)C1=N[N-]N=N1	REAL250004618803	0	44	-1.0	-35.59	331.80	1.49	-34.10
CCC(CC)(NC(=O)C1CN(C)CC(C)O1)C1=NN=N[N-]1	REAL250004618803	1	44	-1.0	-35.57	331.86	1.51	-34.06
CCC(CC)(NC(=O)C=CCN1C=NC=N1)C1=NN=N[N-]1	REAL250004618805	0	38	-1.0	-42.72	310.83	5.19	-37.53
CCC(CC)(NC(=O)C=CCN1C=NC=N1)C1=N[N-]N=N1	REAL250004618805	1	38	-1.0	-42.66	310.77	5.18	-37.48
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=N[N-]N=N1	REAL250004618806	0	39	-1.0	-42.61	309.69	4.07	-38.54
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=NN=N[N-]1	REAL250004618806	1	39	-1.0	-42.60	309.76	4.08	-38.52
CCC(CC)(NC(=O)CN1N=CC=C1C)C1=N[N-]N=N1	REAL250004618807	0	38	-1.0	-38.59	302.47	3.01	-35.58
CCC(CC)(NC(=O)CN1N=CC=C1C)C1=NN=N[N-]1	REAL250004618807	1	38	-1.0	-38.57	302.54	3.02	-35.55
CCC(CC)(NC(=O)C=C(C)Cl)C1=N[N-]N=N1	REAL250004618808	0	32	-1.0	-35.82	266.32	3.27	-32.55
CCC(CC)(NC(=O)C=C(C)Cl)C1=NN=N[N-]1	REAL250004618808	1	32	-1.0	-35.79	266.39	3.28	-32.51
CCC(CC)(NC(=O)C1=CC(CO)=C(C)O1)C1=N[N-]N=N1	REAL250004618809	0	39	-1.0	-39.98	312.82	0.76	-39.22
CCC(CC)(NC(=O)C1=CC(CO)=C(C)O1)C1=NN=N[N-]1	REAL250004618809	1	39	-1.0	-40.01	312.88	0.76	-39.25
CCC(CC)(NC(=O)C1=CC(=O)N(C)C=N1)C1=NN=N[N-]1	REAL250004618811	0	37	-1.0	-42.17	298.45	3.03	-39.14
CCC(CC)(NC(=O)C1=CC(=O)N(C)C=N1)C1=N[N-]N=N1	REAL250004618811	1	37	-1.0	-42.13	298.38	3.02	-39.11
CCC(CC)(NC(=O)C1OCCN(C)C1=O)C1=N[N-]N=N1	REAL250004618812	0	40	-1.0	-43.61	307.86	1.62	-41.99
CCC(CC)(NC(=O)C1OCCN(C)C1=O)C1=NN=N[N-]1	REAL250004618812	1	40	-1.0	-43.59	307.92	1.63	-41.96
CCC(CC)(NC(=O)C1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004618814	0	38	-1.0	-39.27	299.83	2.41	-36.86
CCC(CC)(NC(=O)C1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004618814	1	38	-1.0	-39.28	299.76	2.41	-36.87
CCC(CC)(NC(=O)CCC1=NN=C(C)O1)C1=N[N-]N=N1	REAL250004618815	0	39	-1.0	-38.96	314.00	-1.15	-40.11
CCC(CC)(NC(=O)CCC1=NN=C(C)O1)C1=NN=N[N-]1	REAL250004618815	1	39	-1.0	-38.93	314.07	-1.14	-40.07
CCC(CC)(NC(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004618816	0	37	-1.0	-36.87	303.10	-0.84	-37.71
CCC(CC)(NC(=O)C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004618816	1	37	-1.0	-36.92	303.17	-0.82	-37.74
CCC(CC)(NC(=O)C1=CC(F)=CNC1=O)C1=N[N-]N=N1	REAL250004618817	0	35	-1.0	-47.75	283.65	1.86	-45.89
CCC(CC)(NC(=O)C1=CC(F)=CNC1=O)C1=NN=N[N-]1	REAL250004618817	1	35	-1.0	-47.76	283.71	1.86	-45.90
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL250004618818	0	37	-1.0	-35.91	303.06	5.63	-30.28
C#CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL250004618818	1	37	-1.0	-35.91	303.12	5.64	-30.27
CCC(CC)(NC(=O)C1(C#N)CCOC1)C1=N[N-]N=N1	REAL250004618819	0	37	-1.0	-34.98	292.00	1.66	-33.32
CCC(CC)(NC(=O)C1(C#N)CCOC1)C1=NN=N[N-]1	REAL250004618819	1	37	-1.0	-35.01	292.06	1.66	-33.35
CCC(CC)(NC(=O)C(C)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004618820	0	39	-1.0	-37.83	306.03	1.84	-35.99
CCC(CC)(NC(=O)C(C)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004618820	1	39	-1.0	-37.85	306.10	1.85	-36.00
CCC(CC)(NC(=O)CCOC1COC1)C1=N[N-]N=N1	REAL250004618821	0	40	-1.0	-34.89	313.81	0.75	-34.14
CCC(CC)(NC(=O)CCOC1COC1)C1=NN=N[N-]1	REAL250004618821	1	40	-1.0	-34.90	313.88	0.77	-34.13
CCC(CC)(NC(=O)C1=CSC=C1Cl)C1=N[N-]N=N1	REAL250004618822	0	32	-1.0	-35.72	280.11	4.00	-31.72
CCC(CC)(NC(=O)C1=CSC=C1Cl)C1=NN=N[N-]1	REAL250004618822	1	32	-1.0	-35.69	280.18	4.00	-31.69
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)(C)C	REAL250004618823	0	49	-1.0	-33.74	340.29	5.43	-28.31
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)(C)C	REAL250004618823	1	49	-1.0	-33.77	340.36	5.44	-28.33
CCC(CC)(NC(=O)C1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004618824	0	35	-1.0	-37.21	294.69	3.53	-33.68
CCC(CC)(NC(=O)C1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004618824	1	35	-1.0	-37.17	294.76	3.54	-33.63
CCC(CC)(NC(=O)CCC(N)=O)C1=N[N-]N=N1	REAL250004618825	0	35	-1.0	-38.44	278.16	-1.03	-39.47
CCC(CC)(NC(=O)CCC(N)=O)C1=NN=N[N-]1	REAL250004618825	1	35	-1.0	-38.46	278.23	-1.02	-39.48
CCC(CC)(NC(=O)C1=CC(=O)N=CN1)C1=N[N-]N=N1	REAL250004618826	0	34	-1.0	-41.74	275.59	0.76	-40.98
CCC(CC)(NC(=O)C1=CC(=O)N=CN1)C1=NN=N[N-]1	REAL250004618826	1	34	-1.0	-41.75	275.66	0.77	-40.98
CCC(CC)(NC(=O)CN1CCOC1=O)C1=N[N-]N=N1	REAL250004618827	0	37	-1.0	-44.23	295.74	1.93	-42.30
CCC(CC)(NC(=O)CN1CCOC1=O)C1=NN=N[N-]1	REAL250004618827	1	37	-1.0	-44.24	295.80	1.94	-42.30
CCC(CC)(NC(=O)CCCN1C=NC=N1)C1=NN=N[N-]1	REAL250004618828	0	40	-1.0	-42.80	319.21	5.35	-37.45
CCC(CC)(NC(=O)CCCN1C=NC=N1)C1=N[N-]N=N1	REAL250004618828	1	40	-1.0	-42.83	319.14	5.33	-37.50
CCC(CC)(NC(=O)CN1CCNC(=O)C1)C1=N[N-]N=N1	REAL250004618829	0	41	-1.0	-41.90	312.78	-1.46	-43.36
CCC(CC)(NC(=O)CN1CCNC(=O)C1)C1=NN=N[N-]1	REAL250004618829	1	41	-1.0	-41.91	312.84	-1.45	-43.36
CCCC=CC(O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618830	0	42	-1.0	-34.28	328.76	2.81	-31.47
CCCC=CC(O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618830	1	42	-1.0	-34.30	328.82	2.82	-31.48
CCC(CC)(NC(=O)C1=C(C)NN=C1Cl)C1=N[N-]N=N1	REAL250004618831	0	35	-1.0	-37.75	298.21	1.79	-35.96
CCC(CC)(NC(=O)C1=C(C)NN=C1Cl)C1=NN=N[N-]1	REAL250004618831	1	35	-1.0	-37.73	298.28	1.80	-35.93
CCC(CC)(NC(=O)CC1=CN=C(C)O1)C1=N[N-]N=N1	REAL250004618832	0	37	-1.0	-38.92	297.91	0.72	-38.20
CCC(CC)(NC(=O)CC1=CN=C(C)O1)C1=NN=N[N-]1	REAL250004618832	1	37	-1.0	-38.87	297.97	0.73	-38.14
CCC(CC)(NC(=O)CC1=CON=C1)C1=NN=N[N-]1	REAL250004618833	0	34	-1.0	-37.55	275.54	2.53	-35.02
CCC(CC)(NC(=O)CC1=CON=C1)C1=N[N-]N=N1	REAL250004618833	1	34	-1.0	-37.51	275.47	2.51	-35.00
CCC(CC)(NC(=O)C1=CC=C(C=O)S1)C1=N[N-]N=N1	REAL250004618834	0	34	-1.0	-35.18	291.81	3.43	-31.75
CCC(CC)(NC(=O)C1=CC=C(C=O)S1)C1=NN=N[N-]1	REAL250004618834	1	34	-1.0	-35.18	291.88	3.43	-31.75
CCC(CC)(NC(=O)C1=NC=CN=C1Cl)C1=NN=N[N-]1	REAL250004618836	0	33	-1.0	-38.76	280.61	1.32	-37.44
CCC(CC)(NC(=O)C1=NC=CN=C1Cl)C1=N[N-]N=N1	REAL250004618836	1	33	-1.0	-38.72	280.55	1.31	-37.41
CCC(CC)(NC(=O)C1=CN(C)C(=O)N1C)C1=N[N-]N=N1	REAL250004618837	0	39	-1.0	-37.07	306.76	3.29	-33.78
CCC(CC)(NC(=O)C1=CN(C)C(=O)N1C)C1=NN=N[N-]1	REAL250004618837	1	39	-1.0	-37.06	306.83	3.29	-33.77
CCC(CC)(NC(=O)C1=CN=C(C)N1C)C1=N[N-]N=N1	REAL250004618838	0	38	-1.0	-37.49	294.76	3.48	-34.01
CCC(CC)(NC(=O)C1=CN=C(C)N1C)C1=NN=N[N-]1	REAL250004618838	1	38	-1.0	-37.50	294.81	3.48	-34.02
CCC(CC)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=N[N-]N=N1	REAL250004618839	0	36	-1.0	-42.86	282.03	-0.03	-42.89
CCC(CC)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1=NN=N[N-]1	REAL250004618839	1	36	-1.0	-42.88	282.10	-0.01	-42.89
CCC(CC)(NC(=O)[C@@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL250004618842	0	42	-1.0	-44.62	321.47	2.86	-41.76
CCC(CC)(NC(=O)[C@@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL250004618842	1	42	-1.0	-44.63	321.54	2.87	-41.76
CCC(CC)(NC(=O)CCC(=O)N(C)C)C1=N[N-]N=N1	REAL250004618843	0	41	-1.0	-38.28	317.46	2.41	-35.87
CCC(CC)(NC(=O)CCC(=O)N(C)C)C1=NN=N[N-]1	REAL250004618843	1	41	-1.0	-38.32	317.52	2.43	-35.89
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=N[N-]N=N1	REAL250004618844	0	39	-1.0	-35.65	312.86	4.72	-30.93
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=NN=N[N-]1	REAL250004618844	1	39	-1.0	-35.67	312.93	4.74	-30.93
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004618845	0	40	-1.0	-47.66	314.04	0.22	-47.44
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004618845	1	40	-1.0	-47.64	314.10	0.23	-47.41
CCC(CC)(NC(=O)C1=CN(C2CC2)C=N1)C1=NN=N[N-]1	REAL250004618846	0	39	-1.0	-41.61	309.94	5.17	-36.44
CCC(CC)(NC(=O)C1=CN(C2CC2)C=N1)C1=N[N-]N=N1	REAL250004618846	1	39	-1.0	-41.60	309.87	5.16	-36.44
CCC(NC(C)=O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618847	0	41	-1.0	-35.79	312.39	1.27	-34.52
CCC(NC(C)=O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618847	1	41	-1.0	-35.78	312.45	1.28	-34.50
CCC(CC)(NC(=O)[C@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004618848	0	35	-1.0	-38.21	277.55	3.36	-34.85
CCC(CC)(NC(=O)[C@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004618848	1	35	-1.0	-38.24	277.60	3.36	-34.88
CCC(CC)(NC(=O)C1COC(=O)N1C)C1=N[N-]N=N1	REAL250004618849	0	37	-1.0	-38.56	290.73	1.50	-37.06
CCC(CC)(NC(=O)C1COC(=O)N1C)C1=NN=N[N-]1	REAL250004618849	1	37	-1.0	-38.58	290.79	1.51	-37.07
CCC(CC)(NC(=O)C1=NC=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004618850	0	38	-1.0	-43.26	303.25	4.99	-38.27
CCC(CC)(NC(=O)C1=NC=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004618850	1	38	-1.0	-43.27	303.18	4.97	-38.30
CCC(CC)(NC(=O)C1=C(C)C=C(C)S1)C1=N[N-]N=N1	REAL250004618851	0	38	-1.0	-35.62	305.93	5.02	-30.60
CCC(CC)(NC(=O)C1=C(C)C=C(C)S1)C1=NN=N[N-]1	REAL250004618851	1	38	-1.0	-35.61	306.00	5.03	-30.58
CCC(CC)(NC(=O)C1C(C)OC(C)C1C)C1=N[N-]N=N1	REAL250004618852	0	45	-1.0	-33.68	328.86	3.49	-30.19
CCC(CC)(NC(=O)C1C(C)OC(C)C1C)C1=NN=N[N-]1	REAL250004618852	1	45	-1.0	-33.65	328.92	3.51	-30.14
CCC(CC)(NC(=O)C1=COC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004618853	0	35	-1.0	-36.28	294.29	3.53	-32.75
CCC(CC)(NC(=O)C1=COC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004618853	1	35	-1.0	-36.28	294.36	3.55	-32.73
CCC(CC)(NC(=O)C1CC(C2CC2)C1)C1=N[N-]N=N1	REAL250004618854	0	42	-1.0	-34.71	319.85	5.58	-29.13
CCC(CC)(NC(=O)C1CC(C2CC2)C1)C1=NN=N[N-]1	REAL250004618854	1	42	-1.0	-34.71	319.92	5.60	-29.11
CCC(CC)(NC(=O)CC1=CNC=N1)C1=N[N-]N=N1	REAL250004618855	0	35	-1.0	-42.13	279.02	2.79	-39.34
CCC(CC)(NC(=O)CC1=CNC=N1)C1=NN=N[N-]1	REAL250004618855	1	35	-1.0	-42.09	279.08	2.81	-39.28
CCC(CC)(NC(=O)C(F)=C(C)C1CC1)C1=N[N-]N=N1	REAL250004618856	0	39	-1.0	-34.80	301.23	5.04	-29.76
CCC(CC)(NC(=O)C(F)=C(C)C1CC1)C1=NN=N[N-]1	REAL250004618856	1	39	-1.0	-34.78	301.29	5.04	-29.74
CCC(CC)(NC(=O)[C@@H]1CCC(=O)N1)C1=N[N-]N=N1	REAL250004618857	0	36	-1.0	-38.39	282.84	0.02	-38.37
CCC(CC)(NC(=O)[C@@H]1CCC(=O)N1)C1=NN=N[N-]1	REAL250004618857	1	36	-1.0	-38.35	282.90	0.03	-38.32
CCC(CC)(NC(=O)C1C(C)C1C1CC1)C1=N[N-]N=N1	REAL250004618858	0	42	-1.0	-34.01	317.58	5.76	-28.25
CCC(CC)(NC(=O)C1C(C)C1C1CC1)C1=NN=N[N-]1	REAL250004618858	1	42	-1.0	-33.99	317.65	5.77	-28.22
CCC(CC)(NC(=O)C1CCCC12CC2)C1=N[N-]N=N1	REAL250004618859	0	42	-1.0	-34.81	312.36	5.10	-29.71
CCC(CC)(NC(=O)C1CCCC12CC2)C1=NN=N[N-]1	REAL250004618859	1	42	-1.0	-34.84	312.43	5.11	-29.73
CCC(CC)(NC(=O)[C@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL250004618860	0	42	-1.0	-44.19	322.75	2.92	-41.27
CCC(CC)(NC(=O)[C@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL250004618860	1	42	-1.0	-44.20	322.82	2.94	-41.26
CCC(CC)(NC(=O)C1=CC=CN=N1)C1=NN=N[N-]1	REAL250004618861	0	33	-1.0	-40.84	267.40	1.69	-39.15
CCC(CC)(NC(=O)C1=CC=CN=N1)C1=N[N-]N=N1	REAL250004618861	1	33	-1.0	-40.82	267.33	1.69	-39.13
CCC(CC)(NC(=O)C1=NC=CC=C1OC)C1=NN=N[N-]1	REAL250004618862	0	38	-1.0	-43.13	300.64	3.16	-39.97
CCC(CC)(NC(=O)C1=NC=CC=C1OC)C1=N[N-]N=N1	REAL250004618862	1	38	-1.0	-43.11	300.58	3.15	-39.96
CCC(CC)(NC(=O)C1CC(C)OC1C)C1=N[N-]N=N1	REAL250004618863	0	42	-1.0	-34.12	306.91	2.63	-31.49
CCC(CC)(NC(=O)C1CC(C)OC1C)C1=NN=N[N-]1	REAL250004618863	1	42	-1.0	-34.13	306.97	2.64	-31.49
CCC(CC)(NC(=O)C1CC2CC1C1CC12)C1=N[N-]N=N1	REAL250004618864	0	43	-1.0	-34.15	309.54	5.49	-28.66
CCC(CC)(NC(=O)C1CC2CC1C1CC12)C1=NN=N[N-]1	REAL250004618864	1	43	-1.0	-34.13	309.61	5.50	-28.63
CCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C(C)=N1	REAL250004618865	0	41	-1.0	-36.77	320.52	3.65	-33.12
CCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C(C)=N1	REAL250004618865	1	41	-1.0	-36.76	320.58	3.66	-33.10
CCC(CC)(NC(=O)CC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL250004618866	0	38	-1.0	-38.94	316.38	3.65	-35.29
CCC(CC)(NC(=O)CC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL250004618866	1	38	-1.0	-38.92	316.31	3.63	-35.29
CCC(CC)(NC(=O)C(C)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL250004618867	0	49	-1.0	-34.38	333.20	4.97	-29.41
CCC(CC)(NC(=O)C(C)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL250004618867	1	49	-1.0	-34.38	333.27	4.98	-29.40
CCC(CC)(NC(=O)C=CCOC)C1=N[N-]N=N1	REAL250004618868	0	36	-1.0	-36.14	287.40	1.79	-34.35
CCC(CC)(NC(=O)C=CCOC)C1=NN=N[N-]1	REAL250004618868	1	36	-1.0	-36.12	287.46	1.80	-34.32
CCC(CC)(NC(=O)C1=CC(C)=CN=C1F)C1=NN=N[N-]1	REAL250004618869	0	37	-1.0	-37.56	296.93	3.29	-34.27
CCC(CC)(NC(=O)C1=CC(C)=CN=C1F)C1=N[N-]N=N1	REAL250004618869	1	37	-1.0	-37.52	296.86	3.28	-34.24
CCC(CC)(NC(=O)C1=CN=C(F)C=C1C)C1=N[N-]N=N1	REAL250004618870	0	37	-1.0	-34.32	293.54	3.28	-31.04
CCC(CC)(NC(=O)C1=CN=C(F)C=C1C)C1=NN=N[N-]1	REAL250004618870	1	37	-1.0	-34.32	293.61	3.29	-31.03
CCC(CC)(NC(=O)C1=CSN=C1OC)C1=NN=N[N-]1	REAL250004618871	0	35	-1.0	-36.03	291.61	1.30	-34.73
CCC(CC)(NC(=O)C1=CSN=C1OC)C1=N[N-]N=N1	REAL250004618871	1	35	-1.0	-35.99	291.54	1.30	-34.69
CCC(CC)(NC(=O)C1=COC(C#N)=C1)C1=N[N-]N=N1	REAL250004618872	0	33	-1.0	-34.22	279.19	3.06	-31.16
CCC(CC)(NC(=O)C1=COC(C#N)=C1)C1=NN=N[N-]1	REAL250004618872	1	33	-1.0	-34.18	279.26	3.06	-31.12
CCC(CC)(NC(=O)C1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004618873	0	35	-1.0	-37.27	292.73	2.45	-34.82
CCC(CC)(NC(=O)C1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004618873	1	35	-1.0	-37.30	292.67	2.44	-34.86
CCOCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618874	0	47	-1.0	-36.14	360.51	4.50	-31.64
CCOCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618874	1	47	-1.0	-36.13	360.57	4.51	-31.62
CCC(CC)(NC(=O)C1=NC=CC=C1N)C1=NN=N[N-]1	REAL250004618875	0	36	-1.0	-39.38	282.92	0.98	-38.40
CCC(CC)(NC(=O)C1=NC=CC=C1N)C1=N[N-]N=N1	REAL250004618875	1	36	-1.0	-39.38	282.85	0.96	-38.42
CCC(CC)(NC(=O)C1=NOC=C1C)C1=NN=N[N-]1	REAL250004618876	0	34	-1.0	-39.07	272.66	2.49	-36.58
CCC(CC)(NC(=O)C1=NOC=C1C)C1=N[N-]N=N1	REAL250004618876	1	34	-1.0	-39.06	272.60	2.49	-36.57
CCC(CC)(NC(=O)C1CC1C1CC1C)C1=N[N-]N=N1	REAL250004618877	0	42	-1.0	-34.54	317.54	5.72	-28.82
CCC(CC)(NC(=O)C1CC1C1CC1C)C1=NN=N[N-]1	REAL250004618877	1	42	-1.0	-34.55	317.60	5.74	-28.81
CCN1N=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL250004618878	0	41	-1.0	-38.01	317.44	3.66	-34.35
CCN1N=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL250004618878	1	41	-1.0	-37.99	317.50	3.66	-34.33
CCC(CC)(NC(=O)C#CC1(C)CC1)C1=N[N-]N=N1	REAL250004618879	0	37	-1.0	-36.16	300.48	4.86	-31.30
CCC(CC)(NC(=O)C#CC1(C)CC1)C1=NN=N[N-]1	REAL250004618879	1	37	-1.0	-36.16	300.54	4.87	-31.29
CCC(CC)(NC(=O)C1CCCCN1C)C1=N[N-]N=N1	REAL250004618880	0	43	-1.0	-34.35	315.05	2.23	-32.12
CCC(CC)(NC(=O)C1CCCCN1C)C1=NN=N[N-]1	REAL250004618880	1	43	-1.0	-34.33	315.12	2.25	-32.08
CCC(CC)(NC(=O)C1CC2(CSC2)C1)C1=N[N-]N=N1	REAL250004618881	0	40	-1.0	-35.63	315.90	4.89	-30.74
CCC(CC)(NC(=O)C1CC2(CSC2)C1)C1=NN=N[N-]1	REAL250004618881	1	40	-1.0	-35.64	315.97	4.90	-30.74
CCC(CC)(NC(=O)CCCC1(C)N=N1)C1=N[N-]N=N1	REAL250004618882	0	40	-1.0	-38.46	315.64	-0.45	-38.91
CCC(CC)(NC(=O)CCCC1(C)N=N1)C1=NN=N[N-]1	REAL250004618882	1	40	-1.0	-38.45	315.71	-0.44	-38.89
C=CC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004618883	0	42	-1.0	-35.22	331.23	6.22	-29.00
C=CC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004618883	1	42	-1.0	-35.22	331.29	6.23	-28.99
CCC(CC)(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004618884	0	39	-1.0	-38.41	309.32	2.20	-36.21
CCC(CC)(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004618884	1	39	-1.0	-38.39	309.39	2.22	-36.17
CCC(CC)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=N[N-]N=N1	REAL250004618885	0	43	-1.0	-36.46	310.08	3.87	-32.59
CCC(CC)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=NN=N[N-]1	REAL250004618885	1	43	-1.0	-36.50	310.15	3.86	-32.64
CCC(CC)(NC(=O)C1=CC=C(NC)C=N1)C1=NN=N[N-]1	REAL250004618886	0	39	-1.0	-40.07	307.29	1.62	-38.45
CCC(CC)(NC(=O)C1=CC=C(NC)C=N1)C1=N[N-]N=N1	REAL250004618886	1	39	-1.0	-40.13	307.23	1.62	-38.51
CCC(CC)(NC(=O)CC1CCN(C)C1=O)C1=N[N-]N=N1	REAL250004618887	0	42	-1.0	-45.08	320.55	3.94	-41.14
CCC(CC)(NC(=O)CC1CCN(C)C1=O)C1=NN=N[N-]1	REAL250004618887	1	42	-1.0	-45.05	320.61	3.96	-41.09
CCC(CC)(NC(=O)CC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004618888	0	37	-1.0	-38.46	300.35	3.58	-34.88
CCC(CC)(NC(=O)CC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004618888	1	37	-1.0	-38.47	300.42	3.59	-34.88
CCC(CC)(NC(=O)C1=CC=C(F)C=C1N)C1=N[N-]N=N1	REAL250004618889	0	37	-1.0	-33.07	291.81	2.85	-30.22
CCC(CC)(NC(=O)C1=CC=C(F)C=C1N)C1=NN=N[N-]1	REAL250004618889	1	37	-1.0	-33.08	291.87	2.85	-30.23
CCC(CC)(NC(=O)C1=CC=CN2N=CC=C12)C1=NN=N[N-]1	REAL250004618890	0	38	-1.0	-38.87	301.61	4.25	-34.62
CCC(CC)(NC(=O)C1=CC=CN2N=CC=C12)C1=N[N-]N=N1	REAL250004618890	1	38	-1.0	-38.86	301.54	4.24	-34.62
CCC(CC)(NC(=O)CCNC(=O)CO)C1=N[N-]N=N1	REAL250004618891	0	39	-1.0	-46.81	312.05	-1.66	-48.47
CCC(CC)(NC(=O)CCNC(=O)CO)C1=NN=N[N-]1	REAL250004618891	1	39	-1.0	-46.81	312.12	-1.64	-48.45
CCC(CC)(NC(=O)CC1CCNC1=O)C1=N[N-]N=N1	REAL250004618892	0	39	-1.0	-44.69	299.47	1.61	-43.08
CCC(CC)(NC(=O)CC1CCNC1=O)C1=NN=N[N-]1	REAL250004618892	1	39	-1.0	-44.72	299.53	1.62	-43.10
CCC(CC)(NC(=O)C1=CN=C2C=CNC2=C1)C1=NN=N[N-]1	REAL250004618893	0	38	-1.0	-41.06	301.90	2.58	-38.48
CCC(CC)(NC(=O)C1=CN=C2C=CNC2=C1)C1=N[N-]N=N1	REAL250004618893	1	38	-1.0	-41.07	301.83	2.57	-38.50
CCC(CC)(NC(=O)CC1=NN=C(N)S1)C1=N[N-]N=N1	REAL250004618894	0	35	-1.0	-40.11	295.92	0.36	-39.75
CCC(CC)(NC(=O)CC1=NN=C(N)S1)C1=NN=N[N-]1	REAL250004618894	1	35	-1.0	-40.08	295.98	0.37	-39.71
CCC(CC)(NC(=O)C1=CC=NC(N)=C1)C1=N[N-]N=N1	REAL250004618895	0	36	-1.0	-35.36	286.21	1.43	-33.93
CCC(CC)(NC(=O)C1=CC=NC(N)=C1)C1=NN=N[N-]1	REAL250004618895	1	36	-1.0	-35.34	286.28	1.44	-33.90
CCCC(CC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618896	0	43	-1.0	-34.41	320.66	4.75	-29.66
CCCC(CC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618896	1	43	-1.0	-34.40	320.73	4.76	-29.64
CCC(CC)(NC(=O)C1C2(CC2)C12CC2)C1=N[N-]N=N1	REAL250004618897	0	40	-1.0	-35.05	315.15	5.98	-29.07
CCC(CC)(NC(=O)C1C2(CC2)C12CC2)C1=NN=N[N-]1	REAL250004618897	1	40	-1.0	-35.06	315.22	5.98	-29.08
CCC(CC)(NC(=O)C1CCC=CCC1)C1=N[N-]N=N1	REAL250004618898	0	42	-1.0	-33.92	307.39	5.16	-28.76
CCC(CC)(NC(=O)C1CCC=CCC1)C1=NN=N[N-]1	REAL250004618898	1	42	-1.0	-33.96	307.46	5.18	-28.78
CCN1C=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL250004618899	0	42	-1.0	-39.42	322.70	5.39	-34.03
CCN1C=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL250004618899	1	42	-1.0	-39.41	322.76	5.40	-34.01
CCC(CC)(NC(=O)C1=CC(C)=CO1)C1=N[N-]N=N1	REAL250004618900	0	35	-1.0	-36.31	281.18	3.25	-33.06
CCC(CC)(NC(=O)C1=CC(C)=CO1)C1=NN=N[N-]1	REAL250004618900	1	35	-1.0	-36.30	281.25	3.26	-33.04
CCC(CC)(NC(=O)[C@H]1CC[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004618901	0	41	-1.0	-40.88	313.90	4.34	-36.54
CCC(CC)(NC(=O)[C@H]1CC[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004618901	1	41	-1.0	-40.86	313.97	4.35	-36.51
CCC(CC)(NC(=O)C=CC1=CSC=C1)C1=N[N-]N=N1	REAL250004618902	0	36	-1.0	-35.73	300.48	4.60	-31.13
CCC(CC)(NC(=O)C=CC1=CSC=C1)C1=NN=N[N-]1	REAL250004618902	1	36	-1.0	-35.77	300.54	4.62	-31.15
CCC1=NN(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004618903	0	41	-1.0	-33.93	318.48	3.64	-30.29
CCC1=NN(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004618903	1	41	-1.0	-33.90	318.54	3.65	-30.25
CCC(CC)(NC(=O)C1=CC(N)=CC=N1)C1=N[N-]N=N1	REAL250004618904	0	36	-1.0	-39.55	288.19	0.61	-38.94
CCC(CC)(NC(=O)C1=CC(N)=CC=N1)C1=NN=N[N-]1	REAL250004618904	1	36	-1.0	-39.52	288.25	0.62	-38.90
CCC(CC)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004618905	0	42	-1.0	-34.42	325.10	5.93	-28.49
CCC(CC)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004618905	1	42	-1.0	-34.43	325.17	5.95	-28.48
C=CC(C)(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618906	0	41	-1.0	-33.41	302.34	4.42	-28.99
C=CC(C)(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618906	1	41	-1.0	-33.38	302.40	4.44	-28.94
CCC(CC)(NC(=O)COC1CC1)C1=N[N-]N=N1	REAL250004618907	0	36	-1.0	-36.67	285.42	3.10	-33.57
CCC(CC)(NC(=O)COC1CC1)C1=NN=N[N-]1	REAL250004618907	1	36	-1.0	-36.68	285.49	3.11	-33.57
CCC(CC)(NC(=O)COC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004618908	0	38	-1.0	-38.24	306.97	2.31	-35.93
CCC(CC)(NC(=O)COC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004618908	1	38	-1.0	-38.24	306.90	2.30	-35.94
CCC(CC)(NC(=O)C1=CC(=O)C=CN1)C1=N[N-]N=N1	REAL250004618909	0	35	-1.0	-40.28	280.78	2.18	-38.10
CCC(CC)(NC(=O)C1=CC(=O)C=CN1)C1=NN=N[N-]1	REAL250004618909	1	35	-1.0	-40.29	280.85	2.19	-38.10
CCC(CC)(NC(=O)C1=CSN=C1)C1=NN=N[N-]1	REAL250004618910	0	31	-1.0	-34.25	261.61	2.11	-32.14
CCC(CC)(NC(=O)C1=CSN=C1)C1=N[N-]N=N1	REAL250004618910	1	31	-1.0	-34.27	261.55	2.09	-32.18
CCC(CC)(NC(=O)C1=CN(C)C=C1C)C1=N[N-]N=N1	REAL250004618911	0	39	-1.0	-39.02	304.36	4.72	-34.30
CCC(CC)(NC(=O)C1=CN(C)C=C1C)C1=NN=N[N-]1	REAL250004618911	1	39	-1.0	-39.03	304.42	4.73	-34.30
CCC(CC)(NC(=O)C1=CC=NC(OC)=N1)C1=NN=N[N-]1	REAL250004618912	0	37	-1.0	-39.84	299.55	-0.63	-40.47
CCC(CC)(NC(=O)C1=CC=NC(OC)=N1)C1=N[N-]N=N1	REAL250004618912	1	37	-1.0	-39.82	299.48	-0.63	-40.45
CCC(CC)(NC(=O)C1=CC=C(F)O1)C1=N[N-]N=N1	REAL250004618913	0	32	-1.0	-34.94	266.50	2.56	-32.38
CCC(CC)(NC(=O)C1=CC=C(F)O1)C1=NN=N[N-]1	REAL250004618913	1	32	-1.0	-34.94	266.57	2.58	-32.36
CCC(CC)(NC(=O)C1CC(C)CO1)C1=N[N-]N=N1	REAL250004618914	0	39	-1.0	-36.02	297.42	3.22	-32.80
CCC(CC)(NC(=O)C1CC(C)CO1)C1=NN=N[N-]1	REAL250004618914	1	39	-1.0	-36.01	297.48	3.23	-32.78
CCC(CC)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004618915	0	43	-1.0	-33.82	324.07	3.84	-29.98
CCC(CC)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004618915	1	43	-1.0	-33.84	324.14	3.85	-29.99
CCC(CC)(NC(=O)C1=CC=CC(O)=C1F)C1=N[N-]N=N1	REAL250004618916	0	36	-1.0	-39.21	290.44	1.79	-37.42
CCC(CC)(NC(=O)C1=CC=CC(O)=C1F)C1=NN=N[N-]1	REAL250004618916	1	36	-1.0	-39.19	290.51	1.79	-37.40
CCC(CC)(NC(=O)C1CCC(Cl)CC1)C1=N[N-]N=N1	REAL250004618917	0	41	-1.0	-33.36	317.46	5.32	-28.04
CCC(CC)(NC(=O)C1CCC(Cl)CC1)C1=NN=N[N-]1	REAL250004618917	1	41	-1.0	-33.36	317.52	5.33	-28.03
CCC(CC)(NC(=O)C1=CS(=O)CCC1)C1=N[N-]N=N1	REAL250004618918	0	38	-1.0	-43.52	299.59	1.85	-41.67
CCC(CC)(NC(=O)C1=CS(=O)CCC1)C1=NN=N[N-]1	REAL250004618918	1	38	-1.0	-43.53	299.66	1.85	-41.68
CCC(CC)(NC(=O)C1CCCC(=O)N1C)C1=N[N-]N=N1	REAL250004618919	0	42	-1.0	-37.76	314.72	2.67	-35.09
CCC(CC)(NC(=O)C1CCCC(=O)N1C)C1=NN=N[N-]1	REAL250004618919	1	42	-1.0	-37.75	314.79	2.69	-35.06
CCN1CCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618920	0	40	-1.0	-35.60	303.14	0.93	-34.67
CCN1CCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618920	1	40	-1.0	-35.61	303.20	0.93	-34.68
CCC(CC)(NC(=O)COC1=NSC=C1)C1=NN=N[N-]1	REAL250004618921	0	35	-1.0	-37.34	296.75	1.34	-36.00
CCC(CC)(NC(=O)COC1=NSC=C1)C1=N[N-]N=N1	REAL250004618921	1	35	-1.0	-37.30	296.68	1.33	-35.97
CCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NO1	REAL250004618922	0	37	-1.0	-37.48	297.19	3.42	-34.06
CCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NO1	REAL250004618922	1	37	-1.0	-37.49	297.25	3.42	-34.07
CCC(CC)(NC(=O)CC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004618923	0	45	-1.0	-36.97	336.98	3.90	-33.07
CCC(CC)(NC(=O)CC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004618923	1	45	-1.0	-36.98	337.04	3.92	-33.06
CCC(CC)(NC(=O)CCN1CCC(F)C1)C1=N[N-]N=N1	REAL250004618924	1	43	-1.0	-34.33	326.77	2.36	-31.97
CCC(CC)(NC(=O)CCN1CCC(F)C1)C1=NN=N[N-]1	REAL250004618924	1	43	-1.0	-34.31	326.83	2.36	-31.95
CCC(CC)(NC(=O)C1=CC=NC(CO)=C1)C1=N[N-]N=N1	REAL250004618925	0	38	-1.0	-36.84	301.04	0.23	-36.61
CCC(CC)(NC(=O)C1=CC=NC(CO)=C1)C1=NN=N[N-]1	REAL250004618925	1	38	-1.0	-36.82	301.10	0.24	-36.58
CCC(CC)(NC(=O)C1=NC=CC(C)=C1O)C1=N[N-]N=N1	REAL250004618926	0	38	-1.0	-40.57	301.45	1.91	-38.66
CCC(CC)(NC(=O)C1=NC=CC(C)=C1O)C1=NN=N[N-]1	REAL250004618926	1	38	-1.0	-40.51	301.51	1.92	-38.59
CCC(CC)(NC(=O)CCCCCO)C1=N[N-]N=N1	REAL250004618928	0	41	-1.0	-37.09	316.40	1.13	-35.96
CCC(CC)(NC(=O)CCCCCO)C1=NN=N[N-]1	REAL250004618928	1	41	-1.0	-37.13	316.47	1.15	-35.98
CCCCC(O)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618929	0	47	-1.0	-34.98	357.55	2.78	-32.20
CCCCC(O)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618929	1	47	-1.0	-34.98	357.62	2.79	-32.19
C=C1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL250004618930	0	42	-1.0	-33.90	313.99	5.13	-28.77
C=C1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL250004618930	1	42	-1.0	-33.94	314.06	5.15	-28.79
CCC(CC)(NC(=O)C1CCC=CCCC1)C1=N[N-]N=N1	REAL250004618931	0	45	-1.0	-33.90	320.19	5.54	-28.36
CCC(CC)(NC(=O)C1CCC=CCCC1)C1=NN=N[N-]1	REAL250004618931	1	45	-1.0	-33.91	320.26	5.56	-28.35
CCC(CC)(NC(=O)C1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL250004618932	0	39	-1.0	-34.57	306.66	3.96	-30.61
CCC(CC)(NC(=O)C1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL250004618932	1	39	-1.0	-34.57	306.61	3.96	-30.61
CCC(CC)(NC(=O)C1=CC(F)=NC=C1C)C1=NN=N[N-]1	REAL250004618933	0	37	-1.0	-34.45	292.99	3.40	-31.05
CCC(CC)(NC(=O)C1=CC(F)=NC=C1C)C1=N[N-]N=N1	REAL250004618933	1	37	-1.0	-34.45	292.92	3.39	-31.06
CCC(CC)(NC(=O)C(C)C1CCCO1)C1=N[N-]N=N1	REAL250004618934	0	42	-1.0	-37.45	311.89	3.91	-33.54
CCC(CC)(NC(=O)C(C)C1CCCO1)C1=NN=N[N-]1	REAL250004618934	1	42	-1.0	-37.43	311.96	3.91	-33.52
CCC(CC)(NC(=O)CN1N=NC(N)=N1)C1=NN=N[N-]1	REAL250004618935	0	35	-1.0	-39.48	287.19	0.84	-38.64
CCC(CC)(NC(=O)CN1N=NC(N)=N1)C1=N[N-]N=N1	REAL250004618935	1	35	-1.0	-39.48	287.12	0.83	-38.65
CCC(CC)(NC(=O)C1=CC=NS1)C1=NN=N[N-]1	REAL250004618936	0	31	-1.0	-34.29	262.34	2.20	-32.09
CCC(CC)(NC(=O)C1=CC=NS1)C1=N[N-]N=N1	REAL250004618936	1	31	-1.0	-34.25	262.28	2.20	-32.05
CCC(CC)(NC(=O)[C@H]1C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004618937	0	38	-1.0	-39.91	303.03	3.97	-35.94
CCC(CC)(NC(=O)[C@H]1C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004618937	1	38	-1.0	-39.93	303.09	3.97	-35.96
CCC(CC)(NC(=O)CC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004618938	0	34	-1.0	-39.33	284.67	3.34	-35.99
CCC(CC)(NC(=O)CC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004618938	1	34	-1.0	-39.34	284.74	3.36	-35.98
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=N[N-]N=N1	REAL250004618939	0	42	-1.0	-42.91	320.92	0.65	-42.26
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=NN=N[N-]1	REAL250004618939	1	42	-1.0	-42.93	320.99	0.66	-42.27
CCC(CC)(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=N[N-]N=N1	REAL250004618940	0	42	-1.0	-34.22	312.70	5.00	-29.22
CCC(CC)(NC(=O)[C@@H]1CC=CC[C@H]1C)C1=NN=N[N-]1	REAL250004618940	1	42	-1.0	-34.27	312.76	5.02	-29.25
C#CCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618941	0	34	-1.0	-37.08	290.79	3.98	-33.10
C#CCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618941	1	34	-1.0	-37.10	290.85	3.99	-33.11
CCC(CC)(NC(=O)C1=NC=CC=N1)C1=NN=N[N-]1	REAL250004618942	0	33	-1.0	-41.42	268.76	1.93	-39.49
CCC(CC)(NC(=O)C1=NC=CC=N1)C1=N[N-]N=N1	REAL250004618942	1	33	-1.0	-41.44	268.69	1.91	-39.53
CCC(CC)(NC(=O)C1C2CCC(=O)C21)C1=N[N-]N=N1	REAL250004618943	0	38	-1.0	-39.01	277.66	3.32	-35.69
CCC(CC)(NC(=O)C1C2CCC(=O)C21)C1=NN=N[N-]1	REAL250004618943	1	38	-1.0	-38.97	277.72	3.33	-35.64
CCOC1C(C)C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618944	0	42	-1.0	-37.29	319.12	3.83	-33.46
CCOC1C(C)C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618944	1	42	-1.0	-37.32	319.17	3.84	-33.48
CCC(CC)(NC(=O)CCN1C=NN=N1)C1=NN=N[N-]1	REAL250004618945	0	36	-1.0	-40.34	291.49	2.28	-38.06
CCC(CC)(NC(=O)CCN1C=NN=N1)C1=N[N-]N=N1	REAL250004618945	1	36	-1.0	-40.36	291.42	2.27	-38.09
CCC(CC)(NC(=O)CN1N=CC=C1N)C1=NN=N[N-]1	REAL250004618946	0	37	-1.0	-38.79	295.96	1.31	-37.48
CCC(CC)(NC(=O)CN1N=CC=C1N)C1=N[N-]N=N1	REAL250004618946	1	37	-1.0	-38.79	295.90	1.30	-37.49
CCC(CC)(NC(=O)CC1(O)CCOCC1)C1=N[N-]N=N1	REAL250004618947	0	43	-1.0	-36.96	318.88	0.80	-36.16
CCC(CC)(NC(=O)CC1(O)CCOCC1)C1=NN=N[N-]1	REAL250004618947	1	43	-1.0	-36.99	318.94	0.81	-36.18
CCC(CC)(NC(=O)C1=CC=C2NC=CC2=N1)C1=NN=N[N-]1	REAL250004618948	0	38	-1.0	-44.25	303.67	2.84	-41.41
CCC(CC)(NC(=O)C1=CC=C2NC=CC2=N1)C1=N[N-]N=N1	REAL250004618948	1	38	-1.0	-44.27	303.60	2.83	-41.44
CCC(CC)(NC(=O)C=CC1=CN(C)C=N1)C1=N[N-]N=N1	REAL250004618949	0	39	-1.0	-43.15	314.92	5.09	-38.06
CCC(CC)(NC(=O)C=CC1=CN(C)C=N1)C1=NN=N[N-]1	REAL250004618949	1	39	-1.0	-43.14	314.98	5.10	-38.04
CCC(CC)(NC(=O)CC1CC=CCC1)C1=N[N-]N=N1	REAL250004618950	0	42	-1.0	-34.37	311.66	5.42	-28.95
CCC(CC)(NC(=O)CC1CC=CCC1)C1=NN=N[N-]1	REAL250004618950	1	42	-1.0	-34.40	311.72	5.42	-28.98
CCC(CC)(NC(=O)C1=NN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004618952	0	37	-1.0	-40.30	301.78	1.82	-38.48
CCC(CC)(NC(=O)C1=NN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004618952	1	37	-1.0	-40.30	301.71	1.80	-38.50
CCC(CC)(NC(=O)C1CCC2(CC1)N=N2)C1=N[N-]N=N1	REAL250004618953	0	41	-1.0	-34.78	314.49	-0.72	-35.50
CCC(CC)(NC(=O)C1CCC2(CC1)N=N2)C1=NN=N[N-]1	REAL250004618953	1	41	-1.0	-34.80	314.55	-0.71	-35.51
CCC(CC)(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=N[N-]N=N1	REAL250004618954	0	45	-1.0	-33.83	324.46	5.92	-27.91
CCC(CC)(NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=NN=N[N-]1	REAL250004618954	1	45	-1.0	-33.81	324.53	5.94	-27.87
C=C(CC(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618955	0	41	-1.0	-35.58	310.89	4.69	-30.89
C=C(CC(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618955	1	41	-1.0	-35.59	310.95	4.71	-30.88
CCC(CC)(NC(=O)C1=CC=C(C=O)C=N1)C1=NN=N[N-]1	REAL250004618956	0	36	-1.0	-43.15	295.66	2.57	-40.58
CCC(CC)(NC(=O)C1=CC=C(C=O)C=N1)C1=N[N-]N=N1	REAL250004618956	1	36	-1.0	-43.14	295.60	2.57	-40.57
CCC(CC)(NC(=O)C1=CN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL250004618957	0	38	-1.0	-37.47	303.95	3.72	-33.75
CCC(CC)(NC(=O)C1=CN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL250004618957	1	38	-1.0	-37.47	304.02	3.72	-33.75
CCC(CC)(NC(=O)C1=CN=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004618958	0	36	-1.0	-36.66	293.42	2.51	-34.15
CCC(CC)(NC(=O)C1=CN=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004618958	1	36	-1.0	-36.64	293.35	2.51	-34.13
CCC(CC)(NC(=O)C1=NC=CN1C(C)C)C1=NN=N[N-]1	REAL250004618959	0	41	-1.0	-39.79	317.93	4.39	-35.40
CCC(CC)(NC(=O)C1=NC=CN1C(C)C)C1=N[N-]N=N1	REAL250004618959	1	41	-1.0	-39.79	317.86	4.38	-35.41
CCC(CC)(NC(=O)C1=CC(C#N)=CC=C1C)C1=N[N-]N=N1	REAL250004618960	0	39	-1.0	-37.89	311.93	5.61	-32.28
CCC(CC)(NC(=O)C1=CC(C#N)=CC=C1C)C1=NN=N[N-]1	REAL250004618960	1	39	-1.0	-37.92	312.00	5.62	-32.30
CCC[C@H](O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618961	0	38	-1.0	-33.66	292.47	1.57	-32.09
CCC[C@H](O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618961	1	38	-1.0	-33.64	292.53	1.58	-32.06
CCC(CC)(NC(=O)C(F)(F)CO)C1=NN=N[N-]1	REAL250004618962	0	32	-1.0	-36.08	263.11	-0.91	-36.99
CCC(CC)(NC(=O)C(F)(F)CO)C1=N[N-]N=N1	REAL250004618962	1	32	-1.0	-36.07	263.04	-0.93	-37.00
CCC(CC)(NC(=O)CCC1=CC(C)=NN1)C1=N[N-]N=N1	REAL250004618963	0	41	-1.0	-36.60	323.73	2.85	-33.75
CCC(CC)(NC(=O)CCC1=CC(C)=NN1)C1=NN=N[N-]1	REAL250004618963	1	41	-1.0	-36.60	323.80	2.87	-33.73
CCC(CC)(NC(=O)C1=CC=C(CO)N=C1)C1=N[N-]N=N1	REAL250004618964	0	38	-1.0	-36.50	301.61	0.11	-36.39
CCC(CC)(NC(=O)C1=CC=C(CO)N=C1)C1=NN=N[N-]1	REAL250004618964	1	38	-1.0	-36.46	301.67	0.12	-36.34
CCC(CC)(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=N[N-]N=N1	REAL250004618965	0	43	-1.0	-36.34	317.48	-1.15	-37.49
CCC(CC)(NC(=O)[C@@H](NC(N)=O)C(C)C)C1=NN=N[N-]1	REAL250004618965	1	43	-1.0	-36.40	317.54	-1.13	-37.53
C=C(CCC(=O)OC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618966	0	41	-1.0	-39.46	327.51	4.20	-35.26
C=C(CCC(=O)OC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618966	1	41	-1.0	-39.47	327.58	4.22	-35.25
CCOC=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618967	0	36	-1.0	-36.34	287.10	2.38	-33.96
CCOC=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618967	1	36	-1.0	-36.35	287.17	2.39	-33.96
CCC(CC)(NC(=O)CCC1=NC=CN1C)C1=N[N-]N=N1	REAL250004618968	0	41	-1.0	-39.03	321.55	4.22	-34.81
CCC(CC)(NC(=O)CCC1=NC=CN1C)C1=NN=N[N-]1	REAL250004618968	1	41	-1.0	-39.02	321.61	4.23	-34.79
CCC(CC)(NC(=O)C1=CN(CCO)N=C1)C1=NN=N[N-]1	REAL250004618969	0	39	-1.0	-37.72	313.10	-0.17	-37.89
CCC(CC)(NC(=O)C1=CN(CCO)N=C1)C1=N[N-]N=N1	REAL250004618969	1	39	-1.0	-37.64	313.03	-0.18	-37.82
CCC(CC)(NC(=O)C1=NC(C)=CO1)C1=N[N-]N=N1	REAL250004618970	0	34	-1.0	-37.80	276.21	-0.19	-37.99
CCC(CC)(NC(=O)C1=NC(C)=CO1)C1=NN=N[N-]1	REAL250004618970	1	34	-1.0	-37.82	276.28	-0.18	-38.00
CCC(CC)(NC(=O)C1=C(C)OC(C=O)=C1)C1=N[N-]N=N1	REAL250004618971	0	37	-1.0	-38.44	299.82	3.16	-35.28
CCC(CC)(NC(=O)C1=C(C)OC(C=O)=C1)C1=NN=N[N-]1	REAL250004618971	1	37	-1.0	-38.40	299.89	3.17	-35.23
CCC(CC)(NC(=O)C1=CC2=CNC=CC2=N1)C1=NN=N[N-]1	REAL250004618972	0	38	-1.0	-59.93	304.92	2.86	-57.07
CCC(CC)(NC(=O)C1=CC2=CNC=CC2=N1)C1=N[N-]N=N1	REAL250004618972	1	38	-1.0	-59.95	304.86	2.85	-57.10
C=CC(CC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618973	0	41	-1.0	-34.20	312.03	4.71	-29.49
C=CC(CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618973	1	41	-1.0	-34.22	312.10	4.73	-29.49
CCC(CC)(NC(=O)C1=CC2=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004618974	0	38	-1.0	-40.58	304.37	6.10	-34.48
CCC(CC)(NC(=O)C1=CC2=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004618974	1	38	-1.0	-40.58	304.30	6.10	-34.48
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618975	0	41	-1.0	-36.46	328.51	4.53	-31.93
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618975	1	41	-1.0	-36.49	328.58	4.54	-31.95
CCC(CC)(NC(=O)CCC1=NOC(C)=C1)C1=N[N-]N=N1	REAL250004618976	0	40	-1.0	-37.60	318.80	4.04	-33.56
CCC(CC)(NC(=O)CCC1=NOC(C)=C1)C1=NN=N[N-]1	REAL250004618976	1	40	-1.0	-37.65	318.87	4.05	-33.60
CCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=N1	REAL250004618978	0	37	-1.0	-41.63	298.56	1.65	-39.98
CCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=N1	REAL250004618978	1	37	-1.0	-41.64	298.50	1.63	-40.01
CC[C@@H]1OCC[C@H]1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618979	0	42	-1.0	-33.33	317.07	3.15	-30.18
CC[C@@H]1OCC[C@H]1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618979	1	42	-1.0	-33.34	317.13	3.15	-30.19
CCC(CC)(NC(=O)C1=CC(OC)=NC=N1)C1=NN=N[N-]1	REAL250004618980	0	37	-1.0	-35.53	300.51	0.98	-34.55
CCC(CC)(NC(=O)C1=CC(OC)=NC=N1)C1=N[N-]N=N1	REAL250004618980	1	37	-1.0	-35.52	300.44	0.96	-34.56
CCC(CC)(NC(=O)[C@@H]1CSCC(=O)N1)C1=N[N-]N=N1	REAL250004618981	0	37	-1.0	-35.33	299.41	0.90	-34.43
CCC(CC)(NC(=O)[C@@H]1CSCC(=O)N1)C1=NN=N[N-]1	REAL250004618981	1	37	-1.0	-35.29	299.47	0.90	-34.39
CCC(CC)(NC(=O)CC(C)(C)C(F)F)C1=N[N-]N=N1	REAL250004618983	0	40	-1.0	-34.48	303.65	4.20	-30.28
CCC(CC)(NC(=O)CC(C)(C)C(F)F)C1=NN=N[N-]1	REAL250004618983	1	40	-1.0	-34.49	303.72	4.21	-30.28
CCC(CC)(NC(=O)[C@H]1CCC(=O)N1C)C1=N[N-]N=N1	REAL250004618984	0	39	-1.0	-38.58	304.06	2.59	-35.99
CCC(CC)(NC(=O)[C@H]1CCC(=O)N1C)C1=NN=N[N-]1	REAL250004618984	1	39	-1.0	-38.64	304.12	2.59	-36.05
CCC(CC)(NC(=O)C1CCCCC1F)C1=N[N-]N=N1	REAL250004618985	0	41	-1.0	-36.15	306.07	4.69	-31.46
CCC(CC)(NC(=O)C1CCCCC1F)C1=NN=N[N-]1	REAL250004618985	1	41	-1.0	-36.16	306.14	4.70	-31.46
CCC(CC)(NC(=O)C1=NC=C(C)C=C1C)C1=NN=N[N-]1	REAL250004618986	0	40	-1.0	-38.74	309.83	4.15	-34.59
CCC(CC)(NC(=O)C1=NC=C(C)C=C1C)C1=N[N-]N=N1	REAL250004618986	1	40	-1.0	-38.74	309.78	4.15	-34.59
CCC(CC)(NC(=O)C1=CC(C)=C(C)C=N1)C1=N[N-]N=N1	REAL250004618987	0	40	-1.0	-39.27	311.81	3.93	-35.34
CCC(CC)(NC(=O)C1=CC(C)=C(C)C=N1)C1=NN=N[N-]1	REAL250004618987	1	40	-1.0	-39.29	311.88	3.94	-35.35
CCC(CC)(NC(=O)C1CCC2=CNN=C21)C1=N[N-]N=N1	REAL250004618988	0	39	-1.0	-40.08	302.20	2.60	-37.48
CCC(CC)(NC(=O)C1CCC2=CNN=C21)C1=NN=N[N-]1	REAL250004618988	1	39	-1.0	-40.03	302.26	2.61	-37.42
CCC(CC)(NC(=O)CC1CCCOCC1)C1=N[N-]N=N1	REAL250004618989	0	45	-1.0	-34.23	324.82	3.62	-30.61
CCC(CC)(NC(=O)CC1CCCOCC1)C1=NN=N[N-]1	REAL250004618989	1	45	-1.0	-34.23	324.88	3.63	-30.60
C=CCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL250004618990	0	39	-1.0	-37.53	314.47	3.73	-33.80
C=CCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL250004618990	1	39	-1.0	-37.52	314.41	3.73	-33.79
CCC(CC)(NC(=O)CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL250004618991	0	37	-1.0	-45.37	296.53	1.66	-43.71
CCC(CC)(NC(=O)CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL250004618991	1	37	-1.0	-45.36	296.59	1.68	-43.68
CCC(CC)(NC(=O)CCC1=CC(C)=NO1)C1=N[N-]N=N1	REAL250004618992	0	40	-1.0	-36.83	318.82	4.09	-32.74
CCC(CC)(NC(=O)CCC1=CC(C)=NO1)C1=NN=N[N-]1	REAL250004618992	1	40	-1.0	-36.83	318.89	4.10	-32.73
CCC(CC)(NC(=O)CC1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004618993	0	47	-1.0	-34.42	343.47	5.77	-28.65
CCC(CC)(NC(=O)CC1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004618993	1	47	-1.0	-34.41	343.54	5.78	-28.63
CCC(CC)(NC(=O)C1=CC(F)=CC=C1N)C1=N[N-]N=N1	REAL250004618994	0	37	-1.0	-35.86	291.82	2.84	-33.02
CCC(CC)(NC(=O)C1=CC(F)=CC=C1N)C1=NN=N[N-]1	REAL250004618994	1	37	-1.0	-35.86	291.90	2.84	-33.02
CCC(CC)(NC(=O)CC1=CN=CN=C1)C1=NN=N[N-]1	REAL250004618995	0	36	-1.0	-37.42	290.19	3.14	-34.28
CCC(CC)(NC(=O)CC1=CN=CN=C1)C1=N[N-]N=N1	REAL250004618995	1	36	-1.0	-37.44	290.13	3.13	-34.31
CCC(CC)(NC(=O)C1=CN=NC(C)=C1)C1=N[N-]N=N1	REAL250004618996	0	36	-1.0	-35.20	286.87	2.33	-32.87
CCC(CC)(NC(=O)C1=CN=NC(C)=C1)C1=NN=N[N-]1	REAL250004618996	1	36	-1.0	-35.21	286.94	2.33	-32.88
CC[C@H](C)[C@H](O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618997	0	41	-1.0	-33.63	304.02	1.25	-32.38
CC[C@H](C)[C@H](O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618997	1	41	-1.0	-33.65	304.09	1.27	-32.38
CCC(CC)(NC(=O)C(CC(C)C)C(C)C)C1=N[N-]N=N1	REAL250004618998	0	49	-1.0	-34.51	350.69	5.67	-28.84
CCC(CC)(NC(=O)C(CC(C)C)C(C)C)C1=NN=N[N-]1	REAL250004618998	1	49	-1.0	-34.53	350.75	5.68	-28.85
CCC(CC)(NC(=O)C1=CC=C(F)C(O)=C1)C1=N[N-]N=N1	REAL250004618999	0	36	-1.0	-34.84	293.08	1.66	-33.18
CCC(CC)(NC(=O)C1=CC=C(F)C(O)=C1)C1=NN=N[N-]1	REAL250004618999	1	36	-1.0	-34.84	293.14	1.67	-33.17
CCC(CC)(NC(=O)[C@H](C)N1C=NN=N1)C1=NN=N[N-]1	REAL250004619003	0	36	-1.0	-39.49	287.98	2.08	-37.41
CCC(CC)(NC(=O)[C@H](C)N1C=NN=N1)C1=N[N-]N=N1	REAL250004619003	1	36	-1.0	-39.53	287.92	2.07	-37.46
CCC(CC)(NC(=O)CCC(=O)NC)C1=N[N-]N=N1	REAL250004619004	0	38	-1.0	-38.64	300.10	0.45	-38.19
CCC(CC)(NC(=O)CCC(=O)NC)C1=NN=N[N-]1	REAL250004619004	1	38	-1.0	-38.64	300.16	0.46	-38.18
C=C(F)C1(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)CCC1	REAL250004619005	0	42	-1.0	-35.11	316.73	4.97	-30.14
C=C(F)C1(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)CCC1	REAL250004619005	1	42	-1.0	-35.12	316.79	4.98	-30.14
CCC(CC)(NC(=O)CC(O)C1CCCC1)C1=N[N-]N=N1	REAL250004619006	0	45	-1.0	-36.39	331.96	3.30	-33.09
CCC(CC)(NC(=O)CC(O)C1CCCC1)C1=NN=N[N-]1	REAL250004619006	1	45	-1.0	-36.38	332.02	3.32	-33.06
CCC(CC)(NC(=O)COC1(C)CCCC1)C1=N[N-]N=N1	REAL250004619007	0	45	-1.0	-36.00	334.09	4.75	-31.25
CCC(CC)(NC(=O)COC1(C)CCCC1)C1=NN=N[N-]1	REAL250004619007	1	45	-1.0	-36.02	334.15	4.77	-31.25
CCC(CC)(NC(=O)C1=CC=C(C)C(F)=N1)C1=NN=N[N-]1	REAL250004619008	0	37	-1.0	-40.49	299.91	3.31	-37.18
CCC(CC)(NC(=O)C1=CC=C(C)C(F)=N1)C1=N[N-]N=N1	REAL250004619008	1	37	-1.0	-40.46	299.84	3.29	-37.17
CCC(CC)(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=N[N-]N=N1	REAL250004619009	0	40	-1.0	-35.15	302.50	2.97	-32.18
CCC(CC)(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=NN=N[N-]1	REAL250004619009	1	40	-1.0	-35.13	302.57	2.98	-32.15
CCC(CC)(NC(=O)CCC1CC1(C)C)C1=N[N-]N=N1	REAL250004619010	0	44	-1.0	-34.26	333.61	5.61	-28.65
CCC(CC)(NC(=O)CCC1CC1(C)C)C1=NN=N[N-]1	REAL250004619010	1	44	-1.0	-34.26	333.68	5.63	-28.63
CCC(CC)(NC(=O)C1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004619011	0	45	-1.0	-34.48	327.52	3.42	-31.06
CCC(CC)(NC(=O)C1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004619011	1	45	-1.0	-34.49	327.59	3.43	-31.06
CCC(CC)(NC(=O)C1CCCC1OC)C1=N[N-]N=N1	REAL250004619012	0	42	-1.0	-35.22	318.04	3.04	-32.18
CCC(CC)(NC(=O)C1CCCC1OC)C1=NN=N[N-]1	REAL250004619012	1	42	-1.0	-35.24	318.10	3.06	-32.18
CCC(CC)(NC(=O)C1CC2CCCC21)C1=N[N-]N=N1	REAL250004619013	0	42	-1.0	-34.25	305.03	5.15	-29.10
CCC(CC)(NC(=O)C1CC2CCCC21)C1=NN=N[N-]1	REAL250004619013	1	42	-1.0	-34.27	305.10	5.16	-29.11
CCC(CC)(NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C1=N[N-]N=N1	REAL250004619014	0	41	-1.0	-39.60	322.01	4.07	-35.53
CCC(CC)(NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C1=NN=N[N-]1	REAL250004619014	1	41	-1.0	-39.60	322.07	4.08	-35.52
CCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL250004619015	0	37	-1.0	-38.96	306.53	2.91	-36.05
CCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL250004619015	1	37	-1.0	-38.95	306.60	2.92	-36.03
CCC(CC)(NC(=O)C1=NNC=C1C1CC1)C1=N[N-]N=N1	REAL250004619016	0	39	-1.0	-40.71	306.97	3.01	-37.70
CCC(CC)(NC(=O)C1=NNC=C1C1CC1)C1=NN=N[N-]1	REAL250004619016	1	39	-1.0	-40.70	307.03	3.03	-37.67
CCC(CC)(NC(=O)C1CCC2CC2CC1)C1=N[N-]N=N1	REAL250004619017	0	45	-1.0	-33.87	315.82	5.60	-28.27
CCC(CC)(NC(=O)C1CCC2CC2CC1)C1=NN=N[N-]1	REAL250004619017	1	45	-1.0	-33.90	315.89	5.61	-28.29
CCC(CC)(NC(=O)CC1CCC=CCC1)C1=N[N-]N=N1	REAL250004619018	0	45	-1.0	-34.06	326.44	5.80	-28.26
CCC(CC)(NC(=O)CC1CCC=CCC1)C1=NN=N[N-]1	REAL250004619018	1	45	-1.0	-34.13	326.51	5.81	-28.32
CCC(CC)(NC(=O)C1=CCCOCC1)C1=N[N-]N=N1	REAL250004619019	0	40	-1.0	-35.26	298.73	2.92	-32.34
CCC(CC)(NC(=O)C1=CCCOCC1)C1=NN=N[N-]1	REAL250004619019	1	40	-1.0	-35.26	298.79	2.94	-32.32
CCC(CC)(NC(=O)C1=CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004619020	0	45	-1.0	-35.23	327.00	5.74	-29.49
CCC(CC)(NC(=O)C1=CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004619020	1	45	-1.0	-35.19	327.06	5.74	-29.45
CCC(CC)(NC(=O)C=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004619021	0	38	-1.0	-37.51	305.27	3.88	-33.63
CCC(CC)(NC(=O)C=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004619021	1	38	-1.0	-37.52	305.34	3.89	-33.63
CCC(CC)(NC(=O)C1=CC=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004619022	0	39	-1.0	-36.75	312.69	4.98	-31.77
CCC(CC)(NC(=O)C1=CC=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004619022	1	39	-1.0	-36.75	312.76	4.99	-31.76
CCC(CC)(NC(=O)CCC1(C)CC1)C1=N[N-]N=N1	REAL250004619023	0	41	-1.0	-34.14	309.94	4.83	-29.31
CCC(CC)(NC(=O)CCC1(C)CC1)C1=NN=N[N-]1	REAL250004619023	1	41	-1.0	-34.12	310.01	4.84	-29.28
CCC(CC)(NC(=O)C1=COC(C=O)=C1)C1=N[N-]N=N1	REAL250004619024	0	34	-1.0	-37.55	281.71	2.35	-35.20
CCC(CC)(NC(=O)C1=COC(C=O)=C1)C1=NN=N[N-]1	REAL250004619024	1	34	-1.0	-37.57	281.77	2.35	-35.22
CCC(CC)(NC(=O)C1=CN=C(N)O1)C1=NN=N[N-]1	REAL250004619025	0	33	-1.0	-36.84	270.08	-2.74	-39.58
CCC(CC)(NC(=O)C1=CN=C(N)O1)C1=N[N-]N=N1	REAL250004619025	1	33	-1.0	-36.86	270.01	-2.75	-39.61
CCC(CC)(NC(=O)C1CCC1F)C1=N[N-]N=N1	REAL250004619026	0	35	-1.0	-35.22	273.84	3.51	-31.71
CCC(CC)(NC(=O)C1CCC1F)C1=NN=N[N-]1	REAL250004619026	1	35	-1.0	-35.23	273.91	3.53	-31.70
CCC(CC)(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=N[N-]N=N1	REAL250004619027	0	43	-1.0	-34.72	315.59	5.73	-28.99
CCC(CC)(NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=NN=N[N-]1	REAL250004619027	1	43	-1.0	-34.72	315.66	5.75	-28.97
CCC(CC)(NC(=O)C1CC2CC2CC1C)C1=N[N-]N=N1	REAL250004619028	0	45	-1.0	-34.13	327.24	5.60	-28.53
CCC(CC)(NC(=O)C1CC2CC2CC1C)C1=NN=N[N-]1	REAL250004619028	1	45	-1.0	-34.16	327.30	5.62	-28.54
CCC(CC)(NC(=O)C1=CN(C)C=CC1=O)C1=N[N-]N=N1	REAL250004619029	0	38	-1.0	-57.27	300.14	3.93	-53.34
CCC(CC)(NC(=O)C1=CN(C)C=CC1=O)C1=NN=N[N-]1	REAL250004619029	1	38	-1.0	-57.24	300.21	3.94	-53.30
CCC1=NC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N1	REAL250004619030	0	38	-1.0	-34.83	300.41	2.58	-32.25
CCC1=NC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N1	REAL250004619030	1	38	-1.0	-34.81	300.47	2.58	-32.23
CCC(CC)(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004619031	0	39	-1.0	-35.89	310.39	5.64	-30.25
CCC(CC)(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004619031	1	39	-1.0	-35.91	310.46	5.65	-30.26
CCC(CC)(NC(=O)C1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004619032	1	36	-1.0	-36.62	290.12	3.00	-33.62
CCC(CC)(NC(=O)C1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004619032	1	36	-1.0	-36.63	290.18	3.00	-33.63
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004619033	0	45	-1.0	-34.14	320.90	5.72	-28.42
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004619033	1	45	-1.0	-34.17	320.97	5.74	-28.43
CCC(CC)(NC(=O)C1=CC=C(CO)C=N1)C1=NN=N[N-]1	REAL250004619034	0	38	-1.0	-40.38	305.20	0.15	-40.23
CCC(CC)(NC(=O)C1=CC=C(CO)C=N1)C1=N[N-]N=N1	REAL250004619034	1	38	-1.0	-40.36	305.13	0.14	-40.22
CCC(CC)(NC(=O)CC1=CON=C1C)C1=N[N-]N=N1	REAL250004619035	0	37	-1.0	-37.84	297.28	3.10	-34.74
CCC(CC)(NC(=O)CC1=CON=C1C)C1=NN=N[N-]1	REAL250004619035	1	37	-1.0	-37.82	297.35	3.11	-34.71
CCN1C(=O)NC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619036	0	39	-1.0	-36.61	306.72	2.17	-34.44
CCN1C(=O)NC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619036	1	39	-1.0	-36.61	306.78	2.17	-34.44
CCC(CC)(NC(=O)C1=CC=CN=C1NC)C1=N[N-]N=N1	REAL250004619037	0	39	-1.0	-35.46	302.60	2.99	-32.47
CCC(CC)(NC(=O)C1=CC=CN=C1NC)C1=NN=N[N-]1	REAL250004619037	1	39	-1.0	-35.45	302.66	3.00	-32.45
CCC(CC)(NC(=O)CC1(OC)CC1)C1=N[N-]N=N1	REAL250004619038	0	39	-1.0	-36.89	302.38	3.66	-33.23
CCC(CC)(NC(=O)CC1(OC)CC1)C1=NN=N[N-]1	REAL250004619038	1	39	-1.0	-36.89	302.44	3.67	-33.22
CCC(CC)(NC(=O)CC1CCC2CC2C1)C1=N[N-]N=N1	REAL250004619039	0	45	-1.0	-34.21	328.07	6.00	-28.21
CCC(CC)(NC(=O)CC1CCC2CC2C1)C1=NN=N[N-]1	REAL250004619039	1	45	-1.0	-34.25	328.14	6.01	-28.24
CCC(CC)(NC(=O)C1=CC(C)=NS1)C1=N[N-]N=N1	REAL250004619040	0	34	-1.0	-34.27	283.99	2.79	-31.48
CCC(CC)(NC(=O)C1=CC(C)=NS1)C1=NN=N[N-]1	REAL250004619040	1	34	-1.0	-34.28	284.06	2.79	-31.49
C=C(CCC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619041	0	38	-1.0	-35.54	293.55	4.17	-31.37
C=C(CCC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619041	1	38	-1.0	-35.54	293.61	4.18	-31.36
C#CC1(O)CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004619042	0	38	-1.0	-36.43	304.93	1.12	-35.31
C#CC1(O)CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004619042	1	38	-1.0	-36.44	305.00	1.13	-35.31
CCC(CC)(NC(=O)C1=C2C=CC=CN2C=N1)C1=NN=N[N-]1	REAL250004619043	0	38	-1.0	-46.49	303.38	5.86	-40.63
CCC(CC)(NC(=O)C1=C2C=CC=CN2C=N1)C1=N[N-]N=N1	REAL250004619043	1	38	-1.0	-46.51	303.31	5.86	-40.65
CCOCCOCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619045	0	45	-1.0	-36.31	351.49	2.40	-33.91
CCOCCOCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619045	1	45	-1.0	-36.34	351.56	2.42	-33.92
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CF)C1=N[N-]N=N1	REAL250004619046	0	35	-1.0	-35.83	278.97	3.71	-32.12
CCC(CC)(NC(=O)[C@@H]1C[C@H]1CF)C1=NN=N[N-]1	REAL250004619046	1	35	-1.0	-35.87	279.03	3.72	-32.15
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=N[N-]N=N1	REAL250004619047	0	43	-1.0	-36.86	328.28	3.99	-32.87
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=NN=N[N-]1	REAL250004619047	1	43	-1.0	-36.83	328.34	4.00	-32.83
CCC(CC)(NC(=O)CC1=CC(C)=CS1)C1=N[N-]N=N1	REAL250004619048	0	38	-1.0	-35.37	312.36	4.90	-30.47
CCC(CC)(NC(=O)CC1=CC(C)=CS1)C1=NN=N[N-]1	REAL250004619048	1	38	-1.0	-35.35	312.43	4.91	-30.44
CCC(CC)(NC(=O)C#CC1CCCOC1)C1=N[N-]N=N1	REAL250004619049	0	41	-1.0	-35.30	322.42	3.70	-31.60
CCC(CC)(NC(=O)C#CC1CCCOC1)C1=NN=N[N-]1	REAL250004619049	1	41	-1.0	-35.31	322.49	3.71	-31.60
CCC(CC)(NC(=O)C1CC=CCO1)C1=N[N-]N=N1	REAL250004619051	0	37	-1.0	-35.76	286.55	3.23	-32.53
CCC(CC)(NC(=O)C1CC=CCO1)C1=NN=N[N-]1	REAL250004619051	1	37	-1.0	-35.74	286.62	3.24	-32.50
CCC(CC)(NC(=O)CC1CC(F)C1)C1=N[N-]N=N1	REAL250004619052	0	38	-1.0	-36.73	295.00	4.28	-32.45
CCC(CC)(NC(=O)CC1CC(F)C1)C1=NN=N[N-]1	REAL250004619052	1	38	-1.0	-36.74	295.06	4.30	-32.44
CCC(CC)(NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004619053	0	39	-1.0	-34.06	311.97	5.07	-28.99
CCC(CC)(NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004619053	1	39	-1.0	-34.05	312.03	5.07	-28.98
CCC(CC)(NC(=O)C1=C(C)C=C(C=O)N1)C1=N[N-]N=N1	REAL250004619054	0	38	-1.0	-35.63	305.15	2.53	-33.10
CCC(CC)(NC(=O)C1=C(C)C=C(C=O)N1)C1=NN=N[N-]1	REAL250004619054	1	38	-1.0	-35.65	305.22	2.55	-33.10
CCC(CC)(NC(=O)C1CCS1(=O)=O)C1=N[N-]N=N1	REAL250004619055	0	35	-1.0	-43.88	284.25	0.44	-43.44
CCC(CC)(NC(=O)C1CCS1(=O)=O)C1=NN=N[N-]1	REAL250004619055	1	35	-1.0	-43.90	284.31	0.44	-43.46
CCC(CC)(NC(=O)CC(O)C1CC1)C1=N[N-]N=N1	REAL250004619056	0	39	-1.0	-36.80	303.44	1.91	-34.89
CCC(CC)(NC(=O)CC(O)C1CC1)C1=NN=N[N-]1	REAL250004619056	1	39	-1.0	-36.82	303.51	1.93	-34.89
CCC(CC)(NC(=O)C1=C(N)C(C)=NS1)C1=N[N-]N=N1	REAL250004619057	0	36	-1.0	-35.91	292.96	0.92	-34.99
CCC(CC)(NC(=O)C1=C(N)C(C)=NS1)C1=NN=N[N-]1	REAL250004619057	1	36	-1.0	-35.97	293.03	0.92	-35.05
CCC(CC)(NC(=O)C=CC1=NC=CS1)C1=N[N-]N=N1	REAL250004619058	0	35	-1.0	-36.69	298.02	2.99	-33.70
CCC(CC)(NC(=O)C=CC1=NC=CS1)C1=NN=N[N-]1	REAL250004619058	1	35	-1.0	-36.65	298.09	3.00	-33.65
CCC(CC)(NC(=O)C1=C(OC)SC=C1)C1=N[N-]N=N1	REAL250004619059	0	36	-1.0	-39.40	297.03	3.72	-35.68
CCC(CC)(NC(=O)C1=C(OC)SC=C1)C1=NN=N[N-]1	REAL250004619059	1	36	-1.0	-39.36	297.09	3.73	-35.63
CCC(CC)(NC(=O)C1C(F)(F)C12CCC2)C1=N[N-]N=N1	REAL250004619060	0	39	-1.0	-34.85	308.44	5.12	-29.73
CCC(CC)(NC(=O)C1C(F)(F)C12CCC2)C1=NN=N[N-]1	REAL250004619060	1	39	-1.0	-34.85	308.50	5.13	-29.72
C=C(C)CCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619061	0	41	-1.0	-34.62	317.64	4.90	-29.72
C=C(C)CCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619061	1	41	-1.0	-34.62	317.71	4.91	-29.71
CCCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(=O)OC	REAL250004619062	0	43	-1.0	-37.92	329.31	5.10	-32.82
CCCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(=O)OC	REAL250004619062	1	43	-1.0	-37.92	329.38	5.12	-32.80
CCC(CC)(NC(=O)CCC[N+](=O)[O-])C1=N[N-]N=N1	REAL250004619063	0	36	-1.0	-39.06	291.08	3.31	-35.75
CCC(CC)(NC(=O)CCC[N+](=O)[O-])C1=NN=N[N-]1	REAL250004619063	1	36	-1.0	-39.09	291.15	3.32	-35.77
CCC(CC)(NC(=O)C1=CC(C)(C)C1)C1=N[N-]N=N1	REAL250004619064	0	39	-1.0	-34.92	302.49	4.75	-30.17
CCC(CC)(NC(=O)C1=CC(C)(C)C1)C1=NN=N[N-]1	REAL250004619064	1	39	-1.0	-34.94	302.55	4.75	-30.19
CCC(CC)(NC(=O)C#CC1CCCCC1)C1=N[N-]N=N1	REAL250004619065	0	43	-1.0	-35.10	331.49	6.08	-29.02
CCC(CC)(NC(=O)C#CC1CCCCC1)C1=NN=N[N-]1	REAL250004619065	1	43	-1.0	-35.10	331.56	6.09	-29.01
CCC(CC)(NC(=O)C1=C(Cl)C=NN1)C1=N[N-]N=N1	REAL250004619066	0	32	-1.0	-33.20	272.69	1.44	-31.76
CCC(CC)(NC(=O)C1=C(Cl)C=NN1)C1=NN=N[N-]1	REAL250004619066	1	32	-1.0	-33.22	272.76	1.45	-31.77
CCC(CC)(NC(=O)C(O)C1(O)CCC1)C1=N[N-]N=N1	REAL250004619067	0	40	-1.0	-36.03	303.00	-0.87	-36.90
CCC(CC)(NC(=O)C(O)C1(O)CCC1)C1=NN=N[N-]1	REAL250004619067	1	40	-1.0	-36.05	303.07	-0.87	-36.92
CCC(CC)(NC(=O)C(F)(F)C(C)O)C1=NN=N[N-]1	REAL250004619069	0	35	-1.0	-34.02	282.14	0.24	-33.78
CCC(CC)(NC(=O)C(F)(F)C(C)O)C1=N[N-]N=N1	REAL250004619069	1	35	-1.0	-34.02	282.08	0.23	-33.79
CCC(CC)(NC(=O)C(C)CN1C=CN=C1)C1=N[N-]N=N1	REAL250004619070	0	41	-1.0	-36.02	318.20	5.20	-30.82
CCC(CC)(NC(=O)C(C)CN1C=CN=C1)C1=NN=N[N-]1	REAL250004619070	1	41	-1.0	-36.04	318.27	5.22	-30.82
C=C(C)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619071	0	38	-1.0	-34.07	296.40	4.13	-29.94
C=C(C)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619071	1	38	-1.0	-34.07	296.47	4.14	-29.93
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004619072	0	43	-1.0	-34.33	303.10	4.69	-29.64
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004619072	1	43	-1.0	-34.30	303.16	4.71	-29.59
CCC(CC)(NC(=O)C1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL250004619073	0	38	-1.0	-45.09	301.09	4.54	-40.55
CCC(CC)(NC(=O)C1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL250004619073	1	38	-1.0	-45.07	301.02	4.53	-40.54
CCC(CC)(NC(=O)C1=COC2=C1COC2)C1=N[N-]N=N1	REAL250004619074	0	37	-1.0	-36.20	295.33	1.87	-34.33
CCC(CC)(NC(=O)C1=COC2=C1COC2)C1=NN=N[N-]1	REAL250004619074	1	37	-1.0	-36.19	295.40	1.89	-34.30
CCC(CC)(NC(=O)CN1C=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004619075	0	36	-1.0	-41.03	301.25	3.12	-37.91
CCC(CC)(NC(=O)CN1C=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004619075	1	36	-1.0	-41.04	301.19	3.12	-37.92
CCC(CC)(NC(=O)CCC1=CON=C1)C1=NN=N[N-]1	REAL250004619076	0	37	-1.0	-36.79	296.94	3.33	-33.46
CCC(CC)(NC(=O)CCC1=CON=C1)C1=N[N-]N=N1	REAL250004619076	1	37	-1.0	-36.74	296.88	3.32	-33.42
CCC(CC)(NC(=O)C1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL250004619077	0	38	-1.0	-41.42	300.81	2.71	-38.71
CCC(CC)(NC(=O)C1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL250004619077	1	38	-1.0	-41.43	300.88	2.72	-38.71
CCC(CC)(NC(=O)C1C2CCOCC21)C1=N[N-]N=N1	REAL250004619078	0	40	-1.0	-36.93	285.67	3.80	-33.13
CCC(CC)(NC(=O)C1C2CCOCC21)C1=NN=N[N-]1	REAL250004619078	1	40	-1.0	-36.93	285.74	3.81	-33.12
CCC(CC)(NC(=O)C(F)(F)CC1CC1)C1=N[N-]N=N1	REAL250004619079	0	38	-1.0	-32.70	303.44	4.71	-27.99
CCC(CC)(NC(=O)C(F)(F)CC1CC1)C1=NN=N[N-]1	REAL250004619079	1	38	-1.0	-32.67	303.50	4.71	-27.96
CCC(CC)(NC(=O)C#CC1CCCO1)C1=N[N-]N=N1	REAL250004619080	0	38	-1.0	-36.80	304.63	3.10	-33.70
CCC(CC)(NC(=O)C#CC1CCCO1)C1=NN=N[N-]1	REAL250004619080	1	38	-1.0	-36.80	304.70	3.11	-33.69
CCC(CC)(NC(=O)CC1=CC(OC)=NO1)C1=N[N-]N=N1	REAL250004619081	0	38	-1.0	-38.24	307.65	0.82	-37.42
CCC(CC)(NC(=O)CC1=CC(OC)=NO1)C1=NN=N[N-]1	REAL250004619081	1	38	-1.0	-38.22	307.71	0.83	-37.39
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C(C)O1	REAL250004619082	0	41	-1.0	-35.71	320.12	4.95	-30.76
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C(C)O1	REAL250004619082	1	41	-1.0	-35.69	320.18	4.94	-30.75
CCC(CC)(NC(=O)C1=CC=C(Cl)N1)C1=N[N-]N=N1	REAL250004619083	0	33	-1.0	-32.92	279.23	2.75	-30.17
CCC(CC)(NC(=O)C1=CC=C(Cl)N1)C1=NN=N[N-]1	REAL250004619083	1	33	-1.0	-32.92	279.30	2.75	-30.17
CCC(CC)(NC(=O)C1=CC(C)=C(C)N1)C1=N[N-]N=N1	REAL250004619084	0	39	-1.0	-35.64	303.61	3.52	-32.12
CCC(CC)(NC(=O)C1=CC(C)=C(C)N1)C1=NN=N[N-]1	REAL250004619084	1	39	-1.0	-35.68	303.68	3.52	-32.16
CCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C(C)O1	REAL250004619085	0	41	-1.0	-35.48	320.12	4.95	-30.53
CCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C(C)O1	REAL250004619085	1	41	-1.0	-35.49	320.18	4.94	-30.55
CCC(CC)(NC(=O)C1(F)CCOC1C)C1=N[N-]N=N1	REAL250004619086	0	39	-1.0	-33.54	301.38	2.21	-31.33
CCC(CC)(NC(=O)C1(F)CCOC1C)C1=NN=N[N-]1	REAL250004619086	1	39	-1.0	-33.54	301.44	2.22	-31.32
CCC(C)(C)CCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619087	0	49	-1.0	-34.27	352.93	5.87	-28.40
CCC(C)(C)CCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619087	1	49	-1.0	-34.22	353.00	5.89	-28.33
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)OC=N1	REAL250004619088	0	37	-1.0	-36.10	293.52	0.60	-35.50
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)OC=N1	REAL250004619088	1	37	-1.0	-36.09	293.58	0.61	-35.48
CCC(CC)(NC(=O)C1=CCCS1)C1=N[N-]N=N1	REAL250004619089	0	34	-1.0	-38.85	277.57	3.68	-35.17
CCC(CC)(NC(=O)C1=CCCS1)C1=NN=N[N-]1	REAL250004619089	1	34	-1.0	-38.85	277.63	3.69	-35.16
CCC(CC)(NC(=O)C=C(C)C(C)C)C1=N[N-]N=N1	REAL250004619090	0	41	-1.0	-34.68	308.44	4.70	-29.98
CCC(CC)(NC(=O)C=C(C)C(C)C)C1=NN=N[N-]1	REAL250004619090	1	41	-1.0	-34.65	308.51	4.71	-29.94
CCC(CC)(NC(=O)C1=C(C)SC=N1)C1=NN=N[N-]1	REAL250004619091	0	34	-1.0	-38.71	279.42	2.37	-36.34
CCC(CC)(NC(=O)C1=C(C)SC=N1)C1=N[N-]N=N1	REAL250004619091	1	34	-1.0	-38.71	279.35	2.37	-36.34
CCC(CC)(NC(=O)C(SC)C(C)C)C1=N[N-]N=N1	REAL250004619092	0	41	-1.0	-35.05	307.84	4.53	-30.52
CCC(CC)(NC(=O)C(SC)C(C)C)C1=NN=N[N-]1	REAL250004619092	1	41	-1.0	-35.04	307.91	4.52	-30.52
CCC(CC)(NC(=O)C1CC(F)C1)C1=N[N-]N=N1	REAL250004619093	0	35	-1.0	-33.86	273.41	3.49	-30.37
CCC(CC)(NC(=O)C1CC(F)C1)C1=NN=N[N-]1	REAL250004619093	1	35	-1.0	-33.86	273.48	3.51	-30.35
CCC(CC)(NC(=O)C1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL250004619094	0	40	-1.0	-34.49	314.26	3.90	-30.59
CCC(CC)(NC(=O)C1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL250004619094	1	40	-1.0	-34.52	314.33	3.91	-30.61
CCC(CC)(NC(=O)CC1(O)CCCOC1)C1=N[N-]N=N1	REAL250004619095	0	43	-1.0	-38.00	319.56	1.06	-36.94
CCC(CC)(NC(=O)CC1(O)CCCOC1)C1=NN=N[N-]1	REAL250004619095	1	43	-1.0	-37.99	319.63	1.07	-36.92
CCC(CC)(NC(=O)C1=C(C#N)C=NN1)C1=N[N-]N=N1	REAL250004619096	0	33	-1.0	-35.54	277.53	1.15	-34.39
CCC(CC)(NC(=O)C1=C(C#N)C=NN1)C1=NN=N[N-]1	REAL250004619096	1	33	-1.0	-35.55	277.60	1.16	-34.39
CCC(CC)(NC(=O)C1=NNC=C1C#N)C1=NN=N[N-]1	REAL250004619096	1	33	-1.0	-43.66	278.26	1.49	-42.17
CCC(CC)(NC(=O)C1=NNC=C1C#N)C1=N[N-]N=N1	REAL250004619096	1	33	-1.0	-43.67	278.19	1.49	-42.18
CCC(CC)(NC(=O)C=CC1=COC=N1)C1=N[N-]N=N1	REAL250004619097	0	35	-1.0	-40.43	288.31	0.46	-39.97
CCC(CC)(NC(=O)C=CC1=COC=N1)C1=NN=N[N-]1	REAL250004619097	1	35	-1.0	-40.41	288.37	0.47	-39.94
CCC(CC)(NC(=O)CCC1=NNC=C1)C1=N[N-]N=N1	REAL250004619098	0	38	-1.0	-38.36	301.75	2.29	-36.07
CCC(CC)(NC(=O)CCC1=NNC=C1)C1=NN=N[N-]1	REAL250004619098	1	38	-1.0	-38.39	301.82	2.31	-36.08
CCC1=CNC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619099	0	39	-1.0	-38.87	303.60	3.75	-35.12
CCC1=CNC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619099	1	39	-1.0	-38.90	303.67	3.76	-35.14
CCC(CC)(NC(=O)CC1(O)CCOC1)C1=N[N-]N=N1	REAL250004619100	0	40	-1.0	-35.47	300.99	-0.20	-35.67
CCC(CC)(NC(=O)CC1(O)CCOC1)C1=NN=N[N-]1	REAL250004619100	1	40	-1.0	-35.48	301.06	-0.19	-35.67
CCC(CC)(NC(=O)C=CC(=O)N(C)C)C1=N[N-]N=N1	REAL250004619101	0	39	-1.0	-38.41	309.32	2.20	-36.21
CCC(CC)(NC(=O)C=CC(=O)N(C)C)C1=NN=N[N-]1	REAL250004619101	1	39	-1.0	-38.39	309.39	2.22	-36.17
CCC(CC)(NC(=O)C=CC(=O)NC1CC1)C1=N[N-]N=N1	REAL250004619102	0	40	-1.0	-37.94	323.96	1.99	-35.95
CCC(CC)(NC(=O)C=CC(=O)NC1CC1)C1=NN=N[N-]1	REAL250004619102	1	40	-1.0	-37.92	324.03	2.00	-35.92
CCC(CC)(NC(=O)CC1=CNN=C1)C1=NN=N[N-]1	REAL250004619103	0	35	-1.0	-38.01	279.63	1.72	-36.29
CCC(CC)(NC(=O)CC1=CNN=C1)C1=N[N-]N=N1	REAL250004619103	1	35	-1.0	-38.00	279.56	1.72	-36.28
CCC(CC)(NC(=O)C(C)N1C=C(C)C=N1)C1=NN=N[N-]1	REAL250004619104	0	41	-1.0	-37.40	321.14	3.72	-33.68
CCC(CC)(NC(=O)C(C)N1C=C(C)C=N1)C1=N[N-]N=N1	REAL250004619104	1	41	-1.0	-37.39	321.07	3.70	-33.69
CCC(CC)(NC(=O)COC1=NOC=C1)C1=NN=N[N-]1	REAL250004619105	0	35	-1.0	-39.11	287.37	0.99	-38.12
CCC(CC)(NC(=O)COC1=NOC=C1)C1=N[N-]N=N1	REAL250004619105	1	35	-1.0	-39.11	287.30	0.98	-38.13
CCC(CC)(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=N[N-]N=N1	REAL250004619106	0	43	-1.0	-35.27	308.96	3.27	-32.00
CCC(CC)(NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=NN=N[N-]1	REAL250004619106	1	43	-1.0	-35.26	309.03	3.27	-31.99
CCC(CC)(NC(=O)CC1(CO)CCC1)C1=N[N-]N=N1	REAL250004619107	0	42	-1.0	-34.98	312.86	1.26	-33.72
CCC(CC)(NC(=O)CC1(CO)CCC1)C1=NN=N[N-]1	REAL250004619107	1	42	-1.0	-34.97	312.92	1.27	-33.70
CCC(CCOC)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619108	0	44	-1.0	-35.96	332.84	3.04	-32.92
CCC(CCOC)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619108	1	44	-1.0	-35.98	332.90	3.06	-32.92
CCC(CC)(NC(=O)C1=CN=C(N)N=C1C)C1=N[N-]N=N1	REAL250004619109	0	38	-1.0	-34.69	296.69	2.60	-32.09
CCC(CC)(NC(=O)C1=CN=C(N)N=C1C)C1=NN=N[N-]1	REAL250004619109	1	38	-1.0	-34.72	296.75	2.60	-32.12
C=C(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004619110	0	38	-1.0	-36.05	282.60	4.56	-31.49
C=C(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004619110	1	38	-1.0	-36.08	282.66	4.58	-31.50
CCC(CC)(NC(=O)CC1=CC=NN1C)C1=N[N-]N=N1	REAL250004619111	0	38	-1.0	-38.13	300.76	2.62	-35.51
CCC(CC)(NC(=O)CC1=CC=NN1C)C1=NN=N[N-]1	REAL250004619111	1	38	-1.0	-38.16	300.83	2.64	-35.52
CCC(CC)(NC(=O)C#CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004619112	0	41	-1.0	-36.05	324.23	3.59	-32.46
CCC(CC)(NC(=O)C#CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004619112	1	41	-1.0	-36.09	324.30	3.60	-32.49
CCC(CC)(NC(=O)C1CSC(=O)N1)C1=N[N-]N=N1	REAL250004619113	0	34	-1.0	-37.46	280.16	-0.05	-37.51
CCC(CC)(NC(=O)C1CSC(=O)N1)C1=NN=N[N-]1	REAL250004619113	1	34	-1.0	-37.45	280.22	-0.05	-37.50
CCC(CC)(NC(=O)C1=CC(C(N)=O)=NN1)C1=N[N-]N=N1	REAL250004619114	0	36	-1.0	-35.81	295.38	-2.32	-38.13
CCC(CC)(NC(=O)C1=NNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004619114	1	36	-1.0	-41.68	296.18	-2.44	-44.12
CCC(CC)(NC(=O)C1=CC(C(N)=O)=NN1)C1=NN=N[N-]1	REAL250004619114	1	36	-1.0	-35.81	295.45	-2.32	-38.13
CCC(CC)(NC(=O)C1=NNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004619114	1	36	-1.0	-41.70	296.25	-2.42	-44.12
CCC(CC)(NC(=O)CC1CC(O)C1(C)C)C1=N[N-]N=N1	REAL250004619115	0	45	-1.0	-36.45	333.95	2.07	-34.38
CCC(CC)(NC(=O)CC1CC(O)C1(C)C)C1=NN=N[N-]1	REAL250004619115	1	45	-1.0	-36.47	334.01	2.07	-34.40
CCC(CC)(NC(=O)C1=CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004619116	0	41	-1.0	-35.02	315.63	3.36	-31.66
CCC(CC)(NC(=O)C1=CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004619116	1	41	-1.0	-35.06	315.69	3.36	-31.70
CCC(CC)(NC(=O)C1=CC=NN1CCF)C1=NN=N[N-]1	REAL250004619117	0	38	-1.0	-33.68	304.56	3.17	-30.51
CCC(CC)(NC(=O)C1=CC=NN1CCF)C1=N[N-]N=N1	REAL250004619117	1	38	-1.0	-33.70	304.49	3.15	-30.55
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=CS1	REAL250004619118	0	37	-1.0	-38.74	300.89	3.14	-35.60
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=CS1	REAL250004619118	1	37	-1.0	-38.70	300.83	3.13	-35.57
CCC(CC)(NC(=O)C1=C(C)OCC1)C1=N[N-]N=N1	REAL250004619119	0	37	-1.0	-35.41	284.06	2.80	-32.61
CCC(CC)(NC(=O)C1=C(C)OCC1)C1=NN=N[N-]1	REAL250004619119	1	37	-1.0	-35.39	284.12	2.82	-32.57
CCCN1C=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004619120	0	41	-1.0	-41.35	324.35	3.85	-37.50
CCCN1C=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004619120	1	41	-1.0	-41.35	324.29	3.83	-37.52
CCC(CC)(NC(=O)[C@H](C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004619121	0	37	-1.0	-32.69	293.34	3.92	-28.77
CCC(CC)(NC(=O)[C@H](C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004619121	1	37	-1.0	-32.69	293.39	3.93	-28.76
CCN1C=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619122	0	39	-1.0	-36.91	302.16	4.75	-32.16
CCN1C=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619122	1	39	-1.0	-36.98	302.23	4.76	-32.22
CCC(CC)(NC(=O)C(C)=CN1C=CN=N1)C1=N[N-]N=N1	REAL250004619123	0	38	-1.0	-39.50	300.04	3.01	-36.49
CCC(CC)(NC(=O)C(C)=CN1C=CN=N1)C1=NN=N[N-]1	REAL250004619123	1	38	-1.0	-39.48	300.10	3.03	-36.45
CCC(CC)(NC(=O)C(F)=CC1CC1)C1=N[N-]N=N1	REAL250004619124	0	36	-1.0	-34.30	289.78	4.49	-29.81
CCC(CC)(NC(=O)C(F)=CC1CC1)C1=NN=N[N-]1	REAL250004619124	1	36	-1.0	-34.30	289.84	4.49	-29.81
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004619125	0	39	-1.0	-33.69	305.53	4.86	-28.83
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004619125	1	39	-1.0	-33.67	305.59	4.87	-28.80
CCC(CC)(NC(=O)C1=C(C)N=CN1C)C1=N[N-]N=N1	REAL250004619126	0	38	-1.0	-37.86	300.32	3.99	-33.87
CCC(CC)(NC(=O)C1=C(C)N=CN1C)C1=NN=N[N-]1	REAL250004619126	1	38	-1.0	-37.88	300.39	4.00	-33.88
CCC(CC)(NC(=O)C1=CC(OC)=NN1)C1=N[N-]N=N1	REAL250004619127	0	36	-1.0	-33.09	290.44	-1.17	-34.26
CCC(CC)(NC(=O)C1=CC(OC)=NN1)C1=NN=N[N-]1	REAL250004619127	1	36	-1.0	-33.13	290.50	-1.16	-34.29
CCC(CC)(NC(=O)C1NC(=O)CC1C)C1=N[N-]N=N1	REAL250004619128	0	39	-1.0	-37.46	303.30	0.63	-36.83
CCC(CC)(NC(=O)C1NC(=O)CC1C)C1=NN=N[N-]1	REAL250004619128	1	39	-1.0	-37.39	303.37	0.64	-36.75
CCC(CC)(NC(=O)C1=CC(COC)=NO1)C1=N[N-]N=N1	REAL250004619129	0	38	-1.0	-34.48	308.64	1.69	-32.79
CCC(CC)(NC(=O)C1=CC(COC)=NO1)C1=NN=N[N-]1	REAL250004619129	1	38	-1.0	-34.48	308.70	1.69	-32.79
CCC(CC)(NC(=O)C1CC2(C1)CCOC2)C1=N[N-]N=N1	REAL250004619130	0	43	-1.0	-35.18	322.43	3.24	-31.94
CCC(CC)(NC(=O)C1CC2(C1)CCOC2)C1=NN=N[N-]1	REAL250004619130	1	43	-1.0	-35.22	322.50	3.25	-31.97
CCC(CC)(NC(=O)C1CC(CC)(CC)C1)C1=N[N-]N=N1	REAL250004619131	0	47	-1.0	-33.92	340.65	5.81	-28.11
CCC(CC)(NC(=O)C1CC(CC)(CC)C1)C1=NN=N[N-]1	REAL250004619131	1	47	-1.0	-33.92	340.72	5.81	-28.11
CCC(CC)(NC(=O)CN1N=CN=N1)C1=NN=N[N-]1	REAL250004619132	0	33	-1.0	-38.76	270.87	1.30	-37.46
CCC(CC)(NC(=O)CN1N=CN=N1)C1=N[N-]N=N1	REAL250004619132	1	33	-1.0	-38.74	270.81	1.29	-37.45
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=N[N-]N=N1	REAL250004619133	0	45	-1.0	-34.89	328.99	5.71	-29.18
CCC(CC)(NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=NN=N[N-]1	REAL250004619133	1	45	-1.0	-34.88	329.05	5.73	-29.15
CCC(CC)(NC(=O)CCC=C(C)C)C1=N[N-]N=N1	REAL250004619134	0	41	-1.0	-34.26	314.16	4.90	-29.36
CCC(CC)(NC(=O)CCC=C(C)C)C1=NN=N[N-]1	REAL250004619134	1	41	-1.0	-34.29	314.23	4.92	-29.37
CCC(CC)(NC(=O)C1=CN=CC=C1OC)C1=N[N-]N=N1	REAL250004619135	0	38	-1.0	-39.10	297.70	3.16	-35.94
CCC(CC)(NC(=O)C1=CN=CC=C1OC)C1=NN=N[N-]1	REAL250004619135	1	38	-1.0	-39.11	297.77	3.16	-35.95
CCC(CC)(NC(=O)CCCOC(C)=O)C1=N[N-]N=N1	REAL250004619136	0	40	-1.0	-38.52	318.99	3.87	-34.65
CCC(CC)(NC(=O)CCCOC(C)=O)C1=NN=N[N-]1	REAL250004619136	1	40	-1.0	-38.48	319.06	3.89	-34.59
CCC(CC)(NC(=O)C1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL250004619137	0	38	-1.0	-40.61	309.45	3.23	-37.38
CCC(CC)(NC(=O)C1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL250004619137	1	38	-1.0	-40.67	309.38	3.21	-37.46
CCC(CC)(NC(=O)CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL250004619138	0	37	-1.0	-36.95	307.20	3.09	-33.86
CCC(CC)(NC(=O)CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL250004619138	1	37	-1.0	-36.97	307.26	3.10	-33.87
CCC(CC)(NC(=O)CCC1=NC(C)=CN1)C1=N[N-]N=N1	REAL250004619139	0	41	-1.0	-38.68	323.20	3.20	-35.48
CCC(CC)(NC(=O)CCC1=NC(C)=CN1)C1=NN=N[N-]1	REAL250004619139	1	41	-1.0	-38.72	323.27	3.21	-35.51
CCCC(CC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619140	0	46	-1.0	-33.99	332.53	5.44	-28.55
CCCC(CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619140	1	46	-1.0	-34.01	332.59	5.45	-28.56
CCC(CC)(NC(=O)C1C(F)(F)C12CC2)C1=N[N-]N=N1	REAL250004619141	0	36	-1.0	-35.52	296.46	4.53	-30.99
CCC(CC)(NC(=O)C1C(F)(F)C12CC2)C1=NN=N[N-]1	REAL250004619141	1	36	-1.0	-35.54	296.52	4.54	-31.00
C=CCOC(=O)NCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619142	0	40	-1.0	-35.39	324.75	0.73	-34.66
C=CCOC(=O)NCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619142	1	40	-1.0	-35.35	324.81	0.74	-34.61
CCC(CC)(NC(=O)C1=C(COC)C=CO1)C1=N[N-]N=N1	REAL250004619143	0	39	-1.0	-36.43	312.33	2.27	-34.16
CCC(CC)(NC(=O)C1=C(COC)C=CO1)C1=NN=N[N-]1	REAL250004619143	1	39	-1.0	-36.46	312.39	2.28	-34.18
CCC(CC)(NC(=O)C1=CN=CC(OC)=C1)C1=NN=N[N-]1	REAL250004619144	0	38	-1.0	-36.06	300.48	1.93	-34.13
CCC(CC)(NC(=O)C1=CN=CC(OC)=C1)C1=N[N-]N=N1	REAL250004619144	1	38	-1.0	-36.07	300.41	1.92	-34.15
CCC(CC)(NC(=O)C[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL250004619145	0	37	-1.0	-41.30	291.41	-0.41	-41.71
CCC(CC)(NC(=O)C[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL250004619145	1	37	-1.0	-41.33	291.47	-0.41	-41.74
CCC(CC)(NC(=O)C1=NC=CN1C)C1=NN=N[N-]1	REAL250004619146	0	35	-1.0	-39.87	276.45	3.03	-36.84
CCC(CC)(NC(=O)C1=NC=CN1C)C1=N[N-]N=N1	REAL250004619146	1	35	-1.0	-39.86	276.38	3.03	-36.83
CCC(CC)(NC(=O)COC1CCCOC1)C1=N[N-]N=N1	REAL250004619147	0	43	-1.0	-36.32	328.02	2.58	-33.74
CCC(CC)(NC(=O)COC1CCCOC1)C1=NN=N[N-]1	REAL250004619147	1	43	-1.0	-36.27	328.09	2.60	-33.67
CCC(CC)(NC(=O)C(=O)NC(C)C)C1=N[N-]N=N1	REAL250004619148	0	38	-1.0	-36.31	299.87	0.62	-35.69
CCC(CC)(NC(=O)C(=O)NC(C)C)C1=NN=N[N-]1	REAL250004619148	1	38	-1.0	-36.30	299.94	0.63	-35.67
CCC(CC)(NC(=O)C1=NN(C)C(F)=C1)C1=NN=N[N-]1	REAL250004619149	0	35	-1.0	-36.32	288.01	2.19	-34.13
CCC(CC)(NC(=O)C1=NN(C)C(F)=C1)C1=N[N-]N=N1	REAL250004619149	1	35	-1.0	-36.28	287.95	2.17	-34.11
CCC(CC)(NC(=O)C1C(C)(C)C1(F)F)C1=N[N-]N=N1	REAL250004619150	0	38	-1.0	-34.46	296.74	4.32	-30.14
CCC(CC)(NC(=O)C1C(C)(C)C1(F)F)C1=NN=N[N-]1	REAL250004619150	1	38	-1.0	-34.48	296.82	4.32	-30.16
CCC(CC)(NC(=O)C(F)CC1CC1)C1=N[N-]N=N1	REAL250004619151	0	38	-1.0	-33.72	300.16	4.49	-29.23
CCC(CC)(NC(=O)C(F)CC1CC1)C1=NN=N[N-]1	REAL250004619151	1	38	-1.0	-33.70	300.23	4.51	-29.19
CCC(CC)(NC(=O)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004619152	0	33	-1.0	-36.43	284.75	2.52	-33.91
CCC(CC)(NC(=O)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004619152	1	33	-1.0	-36.49	284.68	2.52	-33.97
CCC(CC)(NC(=O)C(C)S(N)(=O)=O)C1=N[N-]N=N1	REAL250004619153	0	36	-1.0	-43.81	294.86	-2.54	-46.35
CCC(CC)(NC(=O)C(C)S(N)(=O)=O)C1=NN=N[N-]1	REAL250004619153	1	36	-1.0	-43.86	294.92	-2.52	-46.38
CCC(CC)(NC(=O)C=CC1=NC(C)=CN1)C1=N[N-]N=N1	REAL250004619154	0	39	-1.0	-40.07	314.71	3.18	-36.89
CCC(CC)(NC(=O)C=CC1=NC(C)=CN1)C1=NN=N[N-]1	REAL250004619154	1	39	-1.0	-40.11	314.78	3.19	-36.92
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CC1	REAL250004619155	0	44	-1.0	-34.02	329.02	5.61	-28.41
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CC1	REAL250004619155	1	44	-1.0	-34.04	329.08	5.63	-28.41
CCC(CC)(NC(=O)C(C)=CC1CC1)C1=N[N-]N=N1	REAL250004619156	0	39	-1.0	-34.89	298.92	5.07	-29.82
CCC(CC)(NC(=O)C(C)=CC1CC1)C1=NN=N[N-]1	REAL250004619156	1	39	-1.0	-34.87	298.98	5.07	-29.80
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)N1C=CC=N1	REAL250004619157	0	41	-1.0	-33.94	316.57	3.82	-30.12
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)N1C=CC=N1	REAL250004619157	1	41	-1.0	-33.92	316.51	3.81	-30.11
CCC(CC)(NC(=O)C1CC2(CC(=O)N2)C1)C1=N[N-]N=N1	REAL250004619158	0	40	-1.0	-38.30	312.17	0.17	-38.13
CCC(CC)(NC(=O)C1CC2(CC(=O)N2)C1)C1=NN=N[N-]1	REAL250004619158	1	40	-1.0	-38.34	312.23	0.18	-38.16
CCC(CC)(NC(=O)CCOC1CC1)C1=N[N-]N=N1	REAL250004619159	0	39	-1.0	-34.36	306.38	2.95	-31.41
CCC(CC)(NC(=O)CCOC1CC1)C1=NN=N[N-]1	REAL250004619159	1	39	-1.0	-34.35	306.44	2.97	-31.38
CCC(CC)(NC(=O)C1=CC=NN1COC)C1=NN=N[N-]1	REAL250004619160	0	39	-1.0	-36.14	310.04	0.76	-35.38
CCC(CC)(NC(=O)C1=CC=NN1COC)C1=N[N-]N=N1	REAL250004619160	1	39	-1.0	-36.13	309.97	0.75	-35.38
CCC(CC)(NC(=O)[C@@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004619161	0	40	-1.0	-34.90	309.91	2.34	-32.56
CCC(CC)(NC(=O)[C@@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004619161	1	40	-1.0	-34.95	309.98	2.35	-32.60
CCC(CC)(NC(=O)C=CC1=CC=NC=N1)C1=N[N-]N=N1	REAL250004619162	0	37	-1.0	-37.61	302.76	3.93	-33.68
CCC(CC)(NC(=O)C=CC1=CC=NC=N1)C1=NN=N[N-]1	REAL250004619162	1	37	-1.0	-37.67	302.82	3.95	-33.72
CCC(CC)(NC(=O)C1=COC(C(C)C)=N1)C1=N[N-]N=N1	REAL250004619163	0	40	-1.0	-38.18	319.16	1.14	-37.04
CCC(CC)(NC(=O)C1=COC(C(C)C)=N1)C1=NN=N[N-]1	REAL250004619163	1	40	-1.0	-38.15	319.23	1.16	-36.99
CCC(CC)(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=N[N-]N=N1	REAL250004619164	0	37	-1.0	-36.33	297.71	0.42	-35.91
CCC(CC)(NC(=O)[C@H]1C[C@](O)(C#N)C1)C1=NN=N[N-]1	REAL250004619164	1	37	-1.0	-36.34	297.76	0.42	-35.92
CCC(CC)(NC(=O)C(F)CC1CCCC1)C1=N[N-]N=N1	REAL250004619165	0	44	-1.0	-33.42	332.17	5.54	-27.88
CCC(CC)(NC(=O)C(F)CC1CCCC1)C1=NN=N[N-]1	REAL250004619165	1	44	-1.0	-33.42	332.24	5.55	-27.87
CCC(CC)(NC(=O)C1CC2(C1)CCCO2)C1=N[N-]N=N1	REAL250004619166	0	43	-1.0	-36.40	322.31	3.57	-32.83
CCC(CC)(NC(=O)C1CC2(C1)CCCO2)C1=NN=N[N-]1	REAL250004619166	1	43	-1.0	-36.44	322.37	3.58	-32.86
CCCC(O)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619167	0	38	-1.0	-33.82	293.27	1.46	-32.36
CCCC(O)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619167	1	38	-1.0	-33.83	293.33	1.47	-32.36
CCC(CC)(NC(=O)C1=CC(C(N)=O)=NO1)C1=NN=N[N-]1	REAL250004619168	0	35	-1.0	-34.80	293.42	-1.46	-36.26
CCC(CC)(NC(=O)C1=CC(C(N)=O)=NO1)C1=N[N-]N=N1	REAL250004619168	1	35	-1.0	-34.80	293.36	-1.48	-36.28
CCC(CC)(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004619169	0	42	-1.0	-36.32	316.88	6.34	-29.98
CCC(CC)(NC(=O)[C@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004619169	1	42	-1.0	-36.36	316.94	6.35	-30.01
CCC(CC)(NC(=O)C1=C2C=CN=C2NC=C1)C1=NN=N[N-]1	REAL250004619170	0	38	-1.0	-44.03	299.39	3.94	-40.09
CCC(CC)(NC(=O)C1=C2C=CN=C2NC=C1)C1=N[N-]N=N1	REAL250004619170	1	38	-1.0	-43.96	299.32	3.94	-40.02
CCC(CC)(NC(=O)C1=C2C=CNC2=NC=C1)C1=NN=N[N-]1	REAL250004619170	1	38	-1.0	-38.78	299.57	3.84	-34.94
CCC(CC)(NC(=O)C1=C2C=CNC2=NC=C1)C1=N[N-]N=N1	REAL250004619170	1	38	-1.0	-38.78	299.50	3.83	-34.95
CCC(CC)(NC(=O)CC(C)(C)CCOC)C1=N[N-]N=N1	REAL250004619171	0	47	-1.0	-34.52	341.57	3.58	-30.94
CCC(CC)(NC(=O)CC(C)(C)CCOC)C1=NN=N[N-]1	REAL250004619171	1	47	-1.0	-34.52	341.64	3.59	-30.93
CCSC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619172	0	38	-1.0	-35.25	303.56	4.00	-31.25
CCSC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619172	1	38	-1.0	-35.25	303.63	4.02	-31.23
CCC(CC)(NC(=O)CC1COCCO1)C1=N[N-]N=N1	REAL250004619173	0	40	-1.0	-37.61	305.48	1.97	-35.64
CCC(CC)(NC(=O)CC1COCCO1)C1=NN=N[N-]1	REAL250004619173	1	40	-1.0	-37.64	305.55	1.98	-35.66
CCC(CC)(NC(=O)C1CC(C)(CC)C1)C1=N[N-]N=N1	REAL250004619174	0	44	-1.0	-34.18	324.63	5.13	-29.05
CCC(CC)(NC(=O)C1CC(C)(CC)C1)C1=NN=N[N-]1	REAL250004619174	1	44	-1.0	-34.19	324.70	5.14	-29.05
CCC(CC)(NC(=O)CC(C)C(F)F)C1=N[N-]N=N1	REAL250004619175	0	37	-1.0	-35.25	289.97	3.72	-31.53
CCC(CC)(NC(=O)CC(C)C(F)F)C1=NN=N[N-]1	REAL250004619175	1	37	-1.0	-35.24	290.03	3.74	-31.50
CCC(CC)(NC(=O)C1=CC(C)=NC=C1C)C1=N[N-]N=N1	REAL250004619176	0	40	-1.0	-34.09	308.09	4.06	-30.03
CCC(CC)(NC(=O)C1=CC(C)=NC=C1C)C1=NN=N[N-]1	REAL250004619176	1	40	-1.0	-34.07	308.16	4.06	-30.01
CCC(CC)(NC(=O)CC1OCCC1(C)C)C1=N[N-]N=N1	REAL250004619177	0	45	-1.0	-37.30	330.68	3.95	-33.35
CCC(CC)(NC(=O)CC1OCCC1(C)C)C1=NN=N[N-]1	REAL250004619177	1	45	-1.0	-37.29	330.75	3.97	-33.32
CCC(CC)(NC(=O)C1=CC(C)=NC(C)=N1)C1=N[N-]N=N1	REAL250004619178	0	39	-1.0	-36.56	310.84	3.18	-33.38
CCC(CC)(NC(=O)C1=CC(C)=NC(C)=N1)C1=NN=N[N-]1	REAL250004619178	1	39	-1.0	-36.55	310.91	3.19	-33.36
CCC(CC)(NC(=O)C1=C(C)SN=C1)C1=N[N-]N=N1	REAL250004619179	0	34	-1.0	-33.96	278.30	3.02	-30.94
CCC(CC)(NC(=O)C1=C(C)SN=C1)C1=NN=N[N-]1	REAL250004619179	1	34	-1.0	-33.97	278.37	3.02	-30.95
CCC(CC)(NC(=O)C=CC1=CN=CC=N1)C1=N[N-]N=N1	REAL250004619180	0	37	-1.0	-37.91	302.62	2.28	-35.63
CCC(CC)(NC(=O)C=CC1=CN=CC=N1)C1=NN=N[N-]1	REAL250004619180	1	37	-1.0	-37.90	302.69	2.29	-35.61
CCC(CC)(NC(=O)C1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004619181	0	34	-1.0	-31.87	282.83	2.77	-29.10
CCC(CC)(NC(=O)C1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004619181	1	34	-1.0	-31.88	282.76	2.77	-29.11
CCC(CC)(NC(=O)C(OC)C(=O)OC)C1=N[N-]N=N1	REAL250004619182	0	38	-1.0	-36.91	306.57	2.69	-34.22
CCC(CC)(NC(=O)C(OC)C(=O)OC)C1=NN=N[N-]1	REAL250004619182	1	38	-1.0	-36.94	306.63	2.70	-34.24
CCC(CC)(NC(=O)[C@@]1(C)C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL250004619183	0	41	-1.0	-40.78	317.96	4.50	-36.28
CCC(CC)(NC(=O)[C@@]1(C)C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL250004619183	1	41	-1.0	-40.74	318.02	4.52	-36.22
CCC(CC)(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004619184	0	42	-1.0	-35.21	321.40	6.21	-29.00
CCC(CC)(NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004619184	1	42	-1.0	-35.22	321.47	6.22	-29.00
CCC(CC)(NC(=O)C1=NN(CC#N)C=C1)C1=NN=N[N-]1	REAL250004619185	0	36	-1.0	-50.70	302.29	2.82	-47.88
CCC(CC)(NC(=O)C1=NN(CC#N)C=C1)C1=N[N-]N=N1	REAL250004619185	1	36	-1.0	-50.68	302.22	2.81	-47.87
CCC(CC)(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=N[N-]N=N1	REAL250004619186	0	43	-1.0	-35.89	320.94	3.55	-32.34
CCC(CC)(NC(=O)CC1C[C@@H]2COC[C@H]12)C1=NN=N[N-]1	REAL250004619186	1	43	-1.0	-35.91	321.00	3.56	-32.35
CCN1C=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL250004619187	0	37	-1.0	-43.50	297.01	3.85	-39.65
CCN1C=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL250004619187	1	37	-1.0	-43.47	296.95	3.84	-39.63
CCC(CC)(NC(=O)C1=CC=NN1CC#N)C1=NN=N[N-]1	REAL250004619188	0	36	-1.0	-37.27	297.33	2.77	-34.50
CCC(CC)(NC(=O)C1=CC=NN1CC#N)C1=N[N-]N=N1	REAL250004619188	1	36	-1.0	-37.30	297.27	2.76	-34.54
CCC(CC)(NC(=O)C(F)CC(C)C)C1=N[N-]N=N1	REAL250004619189	0	40	-1.0	-33.49	306.96	4.22	-29.27
CCC(CC)(NC(=O)C(F)CC(C)C)C1=NN=N[N-]1	REAL250004619189	1	40	-1.0	-33.51	307.02	4.24	-29.27
C=C(Cl)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619190	0	35	-1.0	-34.25	291.82	3.99	-30.26
C=C(Cl)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619190	1	35	-1.0	-34.26	291.88	4.01	-30.25
CCC(CC)(NC(=O)C(C)CC1CCC1)C1=N[N-]N=N1	REAL250004619191	0	44	-1.0	-34.16	323.63	5.41	-28.75
CCC(CC)(NC(=O)C(C)CC1CCC1)C1=NN=N[N-]1	REAL250004619191	1	44	-1.0	-34.14	323.70	5.42	-28.72
CCC(CC)(NC(=O)CCCC1CCC1)C1=N[N-]N=N1	REAL250004619192	0	44	-1.0	-34.35	331.71	5.76	-28.59
CCC(CC)(NC(=O)CCCC1CCC1)C1=NN=N[N-]1	REAL250004619192	1	44	-1.0	-34.35	331.78	5.78	-28.57
CCC(CC)(NC(=O)C1=CC=CC(C)=C1N)C1=NN=N[N-]1	REAL250004619193	0	40	-1.0	-35.42	303.95	3.53	-31.89
CCC(CC)(NC(=O)C1=CC=CC(C)=C1N)C1=N[N-]N=N1	REAL250004619193	1	40	-1.0	-35.39	303.88	3.53	-31.86
CCC(CC)(NC(=O)C1=CC=CC(F)=C1N)C1=N[N-]N=N1	REAL250004619194	0	37	-1.0	-33.71	291.11	2.86	-30.85
CCC(CC)(NC(=O)C1=CC=CC(F)=C1N)C1=NN=N[N-]1	REAL250004619194	1	37	-1.0	-33.69	291.16	2.85	-30.84
CCC(CC)(NC(=O)CC1=CC=C(O)C=N1)C1=N[N-]N=N1	REAL250004619195	0	38	-1.0	-40.47	304.99	0.63	-39.84
CCC(CC)(NC(=O)CC1=CC=C(O)C=N1)C1=NN=N[N-]1	REAL250004619195	1	38	-1.0	-40.46	305.06	0.64	-39.82
C=CN1N=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619196	0	36	-1.0	-34.49	287.88	3.32	-31.17
C=CN1N=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619196	1	36	-1.0	-34.54	287.81	3.31	-31.23
CCC(CC)(NC(=O)C(=O)NC1=NC=CN1)C1=NN=N[N-]1	REAL250004619197	0	36	-1.0	-35.27	292.10	2.12	-33.15
CCC(CC)(NC(=O)C(=O)NC1=NC=CN1)C1=N[N-]N=N1	REAL250004619197	1	36	-1.0	-35.26	292.03	2.10	-33.16
CCC(CC)(NC(=O)C(F)=CC1=CNC=N1)C1=N[N-]N=N1	REAL250004619198	0	36	-1.0	-44.40	296.42	3.67	-40.73
CCC(CC)(NC(=O)C(F)=CC1=CNC=N1)C1=NN=N[N-]1	REAL250004619198	1	36	-1.0	-44.38	296.49	3.69	-40.69
CCC(CC)(NC(=O)C1=NN(C)C(C)=N1)C1=N[N-]N=N1	REAL250004619199	0	37	-1.0	-44.01	296.68	2.66	-41.35
CCC(CC)(NC(=O)C1=NN(C)C(C)=N1)C1=NN=N[N-]1	REAL250004619199	1	37	-1.0	-43.98	296.74	2.67	-41.31
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N1	REAL250004619200	0	39	-1.0	-35.03	305.57	3.65	-31.38
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N1	REAL250004619200	1	39	-1.0	-35.04	305.62	3.66	-31.38
CCC(CC)(NC(=O)C1=CC(=O)NN1C)C1=N[N-]N=N1	REAL250004619201	0	36	-1.0	-37.59	286.01	0.36	-37.23
CCC(CC)(NC(=O)C1=CC(=O)NN1C)C1=NN=N[N-]1	REAL250004619201	1	36	-1.0	-37.58	286.07	0.37	-37.21
CCC(CC)(NC(=O)C1=NNC(=S)N1C)C1=N[N-]N=N1	REAL250004619202	0	35	-1.0	-34.03	294.07	3.11	-30.92
CCC(CC)(NC(=O)C1=NNC(=S)N1C)C1=NN=N[N-]1	REAL250004619202	1	35	-1.0	-34.01	294.14	3.12	-30.89
CCC(CC)(NC(=O)C1=CC(C)(CC)C1)C1=N[N-]N=N1	REAL250004619203	0	42	-1.0	-35.24	319.71	5.19	-30.05
CCC(CC)(NC(=O)C1=CC(C)(CC)C1)C1=NN=N[N-]1	REAL250004619203	1	42	-1.0	-35.21	319.77	5.20	-30.01
CCC(CC)(NC(=O)C[C@@H]1CCC[C@H]1O)C1=N[N-]N=N1	REAL250004619204	0	42	-1.0	-36.44	315.35	1.41	-35.03
CCC(CC)(NC(=O)C[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004619204	1	42	-1.0	-36.41	315.42	1.42	-34.99
CCC(CC)(NC(=O)C[C@@H]1COC[C@H]1O)C1=N[N-]N=N1	REAL250004619205	0	40	-1.0	-38.37	305.58	-1.14	-39.51
CCC(CC)(NC(=O)C[C@@H]1COC[C@H]1O)C1=NN=N[N-]1	REAL250004619205	1	40	-1.0	-38.40	305.64	-1.13	-39.53
C#CC[C@]1(O)C[C@@H](C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004619206	0	41	-1.0	-37.01	323.36	1.96	-35.05
C#CC[C@]1(O)C[C@@H](C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004619206	1	41	-1.0	-36.98	323.43	1.97	-35.01
CCC(CC)(NC(=O)CC1CCC(=O)C1)C1=N[N-]N=N1	REAL250004619207	0	40	-1.0	-38.29	306.98	3.87	-34.42
CCC(CC)(NC(=O)CC1CCC(=O)C1)C1=NN=N[N-]1	REAL250004619207	1	40	-1.0	-38.31	307.05	3.88	-34.43
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)N1C=CN=C1	REAL250004619208	0	41	-1.0	-36.06	320.81	4.98	-31.08
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)N1C=CN=C1	REAL250004619208	1	41	-1.0	-35.99	320.88	4.99	-31.00
CCC(F)(F)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619209	0	37	-1.0	-38.24	292.29	3.81	-34.43
CCC(F)(F)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619209	1	37	-1.0	-38.25	292.35	3.82	-34.43
CCC(CC)(NC(=O)C1CCC2(C1)N=N2)C1=N[N-]N=N1	REAL250004619210	0	38	-1.0	-33.44	295.83	-1.27	-34.71
CCC(CC)(NC(=O)C1CCC2(C1)N=N2)C1=NN=N[N-]1	REAL250004619210	1	38	-1.0	-33.43	295.90	-1.26	-34.69
C=CCC(C)(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619211	0	44	-1.0	-33.62	322.83	5.12	-28.50
C=CCC(C)(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619211	1	44	-1.0	-33.69	322.90	5.14	-28.55
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)OC	REAL250004619212	0	41	-1.0	-36.28	308.65	3.54	-32.74
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)OC	REAL250004619212	1	41	-1.0	-36.26	308.72	3.55	-32.71
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CCC1	REAL250004619213	0	47	-1.0	-34.04	340.66	5.97	-28.07
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CCC1	REAL250004619213	1	47	-1.0	-34.04	340.72	5.99	-28.05
CCC(CC)(NC(=O)C1CC2CCC(C2)C1)C1=N[N-]N=N1	REAL250004619214	0	45	-1.0	-34.82	303.68	4.93	-29.89
CCC(CC)(NC(=O)C1CC2CCC(C2)C1)C1=NN=N[N-]1	REAL250004619214	1	45	-1.0	-34.85	303.73	4.94	-29.91
CCC(CC)(NC(=O)C1CC(=O)C1(C)C)C1=N[N-]N=N1	REAL250004619215	0	40	-1.0	-34.14	304.10	3.37	-30.77
CCC(CC)(NC(=O)C1CC(=O)C1(C)C)C1=NN=N[N-]1	REAL250004619215	1	40	-1.0	-34.14	304.17	3.39	-30.75
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=N[N-]N=N1	REAL250004619216	0	41	-1.0	-34.29	312.07	5.01	-29.28
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C(C)C)C1=NN=N[N-]1	REAL250004619216	1	41	-1.0	-34.27	312.13	5.01	-29.26
CCCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)OC=N1	REAL250004619217	0	40	-1.0	-36.09	315.02	1.38	-34.71
CCCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)OC=N1	REAL250004619217	1	40	-1.0	-36.03	315.08	1.38	-34.65
CCC(CC)(NC(=O)C1=NC(C)=CC=C1C)C1=N[N-]N=N1	REAL250004619218	0	40	-1.0	-39.57	310.74	4.00	-35.57
CCC(CC)(NC(=O)C1=NC(C)=CC=C1C)C1=NN=N[N-]1	REAL250004619218	1	40	-1.0	-39.59	310.81	4.01	-35.58
CCC(CC)(NC(=O)C1=CN=C(Cl)N1)C1=N[N-]N=N1	REAL250004619219	0	32	-1.0	-32.38	274.09	1.85	-30.53
CCC(CC)(NC(=O)C1=CN=C(Cl)N1)C1=NN=N[N-]1	REAL250004619219	1	32	-1.0	-32.39	274.15	1.85	-30.54
CCC(CC)(NC(=O)C1=C2C=CNC2=CN=C1)C1=NN=N[N-]1	REAL250004619220	0	38	-1.0	-41.89	299.72	2.67	-39.22
CCC(CC)(NC(=O)C1=C2C=CNC2=CN=C1)C1=N[N-]N=N1	REAL250004619220	1	38	-1.0	-41.90	299.66	2.66	-39.24
CCC(CC)(NC(=O)CC1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL250004619221	0	38	-1.0	-39.65	309.26	2.43	-37.22
CCC(CC)(NC(=O)CC1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL250004619221	1	38	-1.0	-39.66	309.32	2.45	-37.21
CCCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N1	REAL250004619222	0	42	-1.0	-34.80	327.06	4.43	-30.37
CCCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N1	REAL250004619222	1	42	-1.0	-34.80	327.12	4.44	-30.36
CCC(CC)(NC(=O)[C@@H]1CC=CCC1)C1=N[N-]N=N1	REAL250004619223	0	39	-1.0	-34.01	293.80	4.58	-29.43
CCC(CC)(NC(=O)[C@@H]1CC=CCC1)C1=NN=N[N-]1	REAL250004619223	1	39	-1.0	-34.05	293.87	4.60	-29.45
CCC(CC)(NC(=O)CC1CC(=O)C1)C1=N[N-]N=N1	REAL250004619224	0	37	-1.0	-38.12	291.11	3.28	-34.84
CCC(CC)(NC(=O)CC1CC(=O)C1)C1=NN=N[N-]1	REAL250004619224	1	37	-1.0	-38.09	291.18	3.30	-34.79
CCC(CC)(NC(=O)C(=O)N(C)C)C1=N[N-]N=N1	REAL250004619225	0	35	-1.0	-37.18	273.22	0.96	-36.22
CCC(CC)(NC(=O)C(=O)N(C)C)C1=NN=N[N-]1	REAL250004619225	1	35	-1.0	-37.20	273.28	0.97	-36.23
CCC(CC)(NC(=O)C(C)C(=O)OC)C1=N[N-]N=N1	REAL250004619226	0	37	-1.0	-38.50	291.83	3.59	-34.91
CCC(CC)(NC(=O)C(C)C(=O)OC)C1=NN=N[N-]1	REAL250004619226	1	37	-1.0	-38.48	291.90	3.60	-34.88
CCC1=CSC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619227	0	38	-1.0	-35.22	304.54	4.79	-30.43
CCC1=CSC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619227	1	38	-1.0	-35.22	304.61	4.80	-30.42
CCC(CC)(NC(=O)C1CC(C(C)C)C1)C1=N[N-]N=N1	REAL250004619228	0	44	-1.0	-34.59	328.56	5.34	-29.25
CCC(CC)(NC(=O)C1CC(C(C)C)C1)C1=NN=N[N-]1	REAL250004619228	1	44	-1.0	-34.58	328.62	5.35	-29.23
CCC(CC)(NC(=O)C1=NNC(=O)C(C)=C1)C1=N[N-]N=N1	REAL250004619229	0	37	-1.0	-35.57	297.75	0.62	-34.95
CCC(CC)(NC(=O)C1=NNC(=O)C(C)=C1)C1=NN=N[N-]1	REAL250004619229	1	37	-1.0	-35.57	297.82	0.64	-34.93
CCC(CC)(NC(=O)C1=NC=CC(C)=N1)C1=N[N-]N=N1	REAL250004619230	0	36	-1.0	-41.24	289.57	2.64	-38.60
CCC(CC)(NC(=O)C1=NC=CC(C)=N1)C1=NN=N[N-]1	REAL250004619230	1	36	-1.0	-41.22	289.64	2.65	-38.57
CCC(CC)(NC(=O)C1=CN=CN(C)C1=O)C1=NN=N[N-]1	REAL250004619231	0	37	-1.0	-50.40	293.54	3.26	-47.14
CCC(CC)(NC(=O)C1=CN=CN(C)C1=O)C1=N[N-]N=N1	REAL250004619231	1	37	-1.0	-50.36	293.47	3.25	-47.11
CCC(CC)(NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004619232	0	39	-1.0	-35.89	310.39	5.64	-30.25
CCC(CC)(NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004619232	1	39	-1.0	-35.91	310.46	5.65	-30.26
CCC(CC)(NC(=O)CCC1(C)N=N1)C1=N[N-]N=N1	REAL250004619233	0	37	-1.0	-34.60	294.15	-1.23	-35.83
CCC(CC)(NC(=O)CCC1(C)N=N1)C1=NN=N[N-]1	REAL250004619233	1	37	-1.0	-34.65	294.21	-1.22	-35.87
CCC(CC)(NC(=O)CC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004619234	0	43	-1.0	-38.76	327.34	4.89	-33.87
CCC(CC)(NC(=O)CC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004619234	1	43	-1.0	-38.77	327.41	4.91	-33.86
CCC(CC)(NC(=O)CCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004619235	0	45	-1.0	-36.08	342.56	4.65	-31.43
CCC(CC)(NC(=O)CCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004619235	1	45	-1.0	-36.13	342.62	4.66	-31.47
CCC(CC)(NC(=O)C1=CN=CC(F)=N1)C1=NN=N[N-]1	REAL250004619236	0	33	-1.0	-36.24	274.36	0.82	-35.42
CCC(CC)(NC(=O)C1=CN=CC(F)=N1)C1=N[N-]N=N1	REAL250004619236	1	33	-1.0	-36.23	274.29	0.81	-35.42
CCC(CC)(NC(=O)C1=CC=C(C#N)N=C1C)C1=N[N-]N=N1	REAL250004619237	0	38	-1.0	-33.68	308.08	3.62	-30.06
CCC(CC)(NC(=O)C1=CC=C(C#N)N=C1C)C1=NN=N[N-]1	REAL250004619237	1	38	-1.0	-33.70	308.14	3.63	-30.07
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004619238	0	40	-1.0	-35.81	316.38	6.17	-29.64
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004619238	1	40	-1.0	-35.80	316.45	6.19	-29.61
CCC(CC)(NC(=O)C1=CC(C)=CC=N1)C1=N[N-]N=N1	REAL250004619239	0	37	-1.0	-39.03	294.57	3.40	-35.63
CCC(CC)(NC(=O)C1=CC(C)=CC=N1)C1=NN=N[N-]1	REAL250004619239	1	37	-1.0	-39.04	294.63	3.41	-35.63
CCC(CC)(NC(=O)C1CC(C)(F)C1)C1=N[N-]N=N1	REAL250004619240	0	38	-1.0	-33.94	294.71	4.11	-29.83
CCC(CC)(NC(=O)C1CC(C)(F)C1)C1=NN=N[N-]1	REAL250004619240	1	38	-1.0	-33.94	294.77	4.12	-29.82
CCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619241	0	35	-1.0	-35.30	285.01	3.46	-31.84
CCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619241	1	35	-1.0	-35.30	285.08	3.47	-31.83
C=CCC(CC(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619242	0	47	-1.0	-34.57	342.62	6.25	-28.32
C=CCC(CC(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619242	1	47	-1.0	-34.60	342.69	6.26	-28.34
CCC(CC)(NC(=O)C1CCC(C)O1)C1=N[N-]N=N1	REAL250004619243	0	39	-1.0	-36.30	296.36	3.46	-32.84
CCC(CC)(NC(=O)C1CCC(C)O1)C1=NN=N[N-]1	REAL250004619243	1	39	-1.0	-36.31	296.42	3.46	-32.85
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=N[N-]N=N1	REAL250004619244	0	45	-1.0	-34.38	335.17	3.80	-30.58
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=NN=N[N-]1	REAL250004619244	1	45	-1.0	-34.33	335.24	3.82	-30.51
CCC(CC)(NC(=O)C1CC2(CC2F)C1)C1=N[N-]N=N1	REAL250004619245	0	39	-1.0	-35.26	305.93	4.86	-30.40
CCC(CC)(NC(=O)C1CC2(CC2F)C1)C1=NN=N[N-]1	REAL250004619245	1	39	-1.0	-35.30	306.00	4.87	-30.43
CCC(CC)(NC(=O)C[C@@H]1CC=CCC1)C1=N[N-]N=N1	REAL250004619246	0	42	-1.0	-34.65	312.44	5.30	-29.35
CCC(CC)(NC(=O)C[C@@H]1CC=CCC1)C1=NN=N[N-]1	REAL250004619246	1	42	-1.0	-34.64	312.51	5.32	-29.32
CCC1=CNC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004619247	0	39	-1.0	-35.48	305.53	3.79	-31.69
CCC1=CNC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004619247	1	39	-1.0	-35.46	305.59	3.80	-31.66
CCC(CC)(NC(=O)C=CCOCCOC)C1=N[N-]N=N1	REAL250004619248	0	43	-1.0	-38.47	342.88	2.02	-36.45
CCC(CC)(NC(=O)C=CCOCCOC)C1=NN=N[N-]1	REAL250004619248	1	43	-1.0	-38.52	342.94	2.03	-36.49
CCC(CC)(NC(=O)C=CC1CCCO1)C1=N[N-]N=N1	REAL250004619249	0	40	-1.0	-36.34	310.62	3.00	-33.34
CCC(CC)(NC(=O)C=CC1CCCO1)C1=NN=N[N-]1	REAL250004619249	1	40	-1.0	-36.37	310.69	3.02	-33.35
CCC(CC)(NC(=O)C1CC=C(C)CC1)C1=N[N-]N=N1	REAL250004619250	0	42	-1.0	-34.01	314.54	5.20	-28.81
CCC(CC)(NC(=O)C1CC=C(C)CC1)C1=NN=N[N-]1	REAL250004619250	1	42	-1.0	-34.02	314.61	5.21	-28.81
CC[C@H](CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)C	REAL250004619251	0	46	-1.0	-33.99	328.68	5.12	-28.87
CC[C@H](CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)C	REAL250004619251	1	46	-1.0	-33.97	328.75	5.13	-28.84
CCC(CC)(NC(=O)CC1=C(C)C=CS1)C1=N[N-]N=N1	REAL250004619252	0	38	-1.0	-35.36	309.87	4.81	-30.55
CCC(CC)(NC(=O)CC1=C(C)C=CS1)C1=NN=N[N-]1	REAL250004619252	1	38	-1.0	-35.37	309.94	4.82	-30.55
CCC(CC)(NC(=O)CC12CC(C1)C2)C1=N[N-]N=N1	REAL250004619253	0	39	-1.0	-34.76	294.72	4.84	-29.92
CCC(CC)(NC(=O)CC12CC(C1)C2)C1=NN=N[N-]1	REAL250004619253	1	39	-1.0	-34.81	294.78	4.86	-29.95
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)N1C=NC=N1	REAL250004619254	0	40	-1.0	-34.06	311.18	4.95	-29.11
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)N1C=NC=N1	REAL250004619254	1	40	-1.0	-34.04	311.11	4.94	-29.10
CCC=CC=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619255	0	39	-1.0	-35.18	310.30	4.95	-30.23
CCC=CC=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619255	1	39	-1.0	-35.22	310.36	4.96	-30.26
CCC(CC)(NC(=O)C1=CN2N=CC=C2C=C1)C1=NN=N[N-]1	REAL250004619256	0	38	-1.0	-36.54	303.04	4.24	-32.30
CCC(CC)(NC(=O)C1=CN2N=CC=C2C=C1)C1=N[N-]N=N1	REAL250004619256	1	38	-1.0	-36.53	302.97	4.23	-32.30
CCN1C(=O)CCC1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619257	0	42	-1.0	-37.86	322.83	3.09	-34.77
CCN1C(=O)CCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619257	1	42	-1.0	-37.87	322.90	3.10	-34.77
CCC(CC)(NC(=O)CC1CC=CC1)C1=N[N-]N=N1	REAL250004619258	0	39	-1.0	-34.41	295.74	4.76	-29.65
CCC(CC)(NC(=O)CC1CC=CC1)C1=NN=N[N-]1	REAL250004619258	1	39	-1.0	-34.41	295.80	4.77	-29.64
CCC(CC)(NC(=O)C1=CNC(C)=C1)C1=N[N-]N=N1	REAL250004619259	0	36	-1.0	-38.60	285.01	2.88	-35.72
CCC(CC)(NC(=O)C1=CNC(C)=C1)C1=NN=N[N-]1	REAL250004619259	1	36	-1.0	-38.63	285.08	2.89	-35.74
CCC(CC)(NC(=O)C1CCOC(=O)CC1)C1=N[N-]N=N1	REAL250004619260	0	41	-1.0	-39.23	309.03	3.99	-35.24
CCC(CC)(NC(=O)C1CCOC(=O)CC1)C1=NN=N[N-]1	REAL250004619260	1	41	-1.0	-39.25	309.09	4.00	-35.25
CCC(CC)(NC(=O)CCCCCF)C1=N[N-]N=N1	REAL250004619261	0	40	-1.0	-35.96	311.57	4.60	-31.36
CCC(CC)(NC(=O)CCCCCF)C1=NN=N[N-]1	REAL250004619261	1	40	-1.0	-35.91	311.64	4.62	-31.29
CCN1N=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL250004619262	0	40	-1.0	-41.49	314.53	2.27	-39.22
CCN1N=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL250004619262	1	40	-1.0	-41.49	314.59	2.27	-39.22
CCC(CC)(NC(=O)C1CC(=O)CO1)C1=N[N-]N=N1	REAL250004619263	0	35	-1.0	-36.28	278.79	1.73	-34.55
CCC(CC)(NC(=O)C1CC(=O)CO1)C1=NN=N[N-]1	REAL250004619263	1	35	-1.0	-36.31	278.85	1.73	-34.58
CCC(CC)(NC(=O)CN1N=NN=C1C)C1=N[N-]N=N1	REAL250004619264	0	36	-1.0	-41.75	290.44	1.50	-40.25
CCC(CC)(NC(=O)CN1N=NN=C1C)C1=NN=N[N-]1	REAL250004619264	1	36	-1.0	-41.71	290.51	1.51	-40.20
CCC(CC)(NC(=O)CC1=CN=NN1C)C1=N[N-]N=N1	REAL250004619265	0	37	-1.0	-40.50	294.84	1.43	-39.07
CCC(CC)(NC(=O)CC1=CN=NN1C)C1=NN=N[N-]1	REAL250004619265	1	37	-1.0	-40.50	294.91	1.44	-39.06
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=N[N-]N=N1	REAL250004619266	0	36	-1.0	-36.64	286.06	4.20	-32.44
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=NN=N[N-]1	REAL250004619266	1	36	-1.0	-36.63	286.13	4.21	-32.42
CCC(CC)(NC(=O)C1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004619267	0	33	-1.0	-36.57	274.38	2.10	-34.47
CCC(CC)(NC(=O)C1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004619267	1	33	-1.0	-36.60	274.32	2.10	-34.50
CCC(CC)(NC(=O)C1CCOCC1(C)C)C1=N[N-]N=N1	REAL250004619268	0	45	-1.0	-33.86	320.33	3.31	-30.55
CCC(CC)(NC(=O)C1CCOCC1(C)C)C1=NN=N[N-]1	REAL250004619268	1	45	-1.0	-33.87	320.40	3.32	-30.55
CCC(CC)(NC(=O)CN1N=NC(C)=N1)C1=N[N-]N=N1	REAL250004619269	0	36	-1.0	-39.08	292.80	1.15	-37.93
CCC(CC)(NC(=O)CN1N=NC(C)=N1)C1=NN=N[N-]1	REAL250004619269	1	36	-1.0	-39.11	292.86	1.17	-37.94
CCC(CC)(NC(=O)C1=CC=C2C=COC2=C1)C1=NN=N[N-]1	REAL250004619270	0	38	-1.0	-37.47	303.09	4.79	-32.68
CCC(CC)(NC(=O)C1=CC=C2C=COC2=C1)C1=N[N-]N=N1	REAL250004619270	1	38	-1.0	-37.49	303.02	4.78	-32.71
C#CC1=CC=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004619271	0	37	-1.0	-36.83	303.18	5.65	-31.18
C#CC1=CC=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004619271	1	37	-1.0	-36.85	303.11	5.64	-31.21
CCN1N=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1C	REAL250004619272	0	41	-1.0	-41.37	322.62	3.58	-37.79
CCN1N=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1C	REAL250004619272	1	41	-1.0	-41.39	322.69	3.59	-37.80
CCCN1C=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619273	0	42	-1.0	-36.89	323.67	5.51	-31.38
CCCN1C=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619273	1	42	-1.0	-36.93	323.73	5.53	-31.40
CCC(CC)(NC(=O)CC1CC2CC2C1)C1=N[N-]N=N1	REAL250004619274	0	42	-1.0	-34.51	314.26	5.52	-28.99
CCC(CC)(NC(=O)CC1CC2CC2C1)C1=NN=N[N-]1	REAL250004619274	1	42	-1.0	-34.49	314.33	5.54	-28.95
CCC(CC)(NC(=O)C1=CCCOC1)C1=N[N-]N=N1	REAL250004619275	0	37	-1.0	-35.81	283.19	2.27	-33.54
CCC(CC)(NC(=O)C1=CCCOC1)C1=NN=N[N-]1	REAL250004619275	1	37	-1.0	-35.82	283.25	2.29	-33.53
CCC1=NON=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619276	0	36	-1.0	-32.74	289.92	2.53	-30.21
CCC1=NON=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619276	1	36	-1.0	-32.71	289.98	2.54	-30.17
CCC(CC)(NC(=O)C1=CN(CCO)N=N1)C1=NN=N[N-]1	REAL250004619277	0	38	-1.0	-41.02	309.98	-1.72	-42.74
CCC(CC)(NC(=O)C1=CN(CCO)N=N1)C1=N[N-]N=N1	REAL250004619277	1	38	-1.0	-41.01	309.92	-1.73	-42.74
CCC(CC)(NC(=O)CC1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004619278	0	45	-1.0	-34.57	337.17	6.05	-28.52
CCC(CC)(NC(=O)CC1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004619278	1	45	-1.0	-34.53	337.24	6.07	-28.46
CCC(CC)(NC(=O)C1=NOC(CF)=C1)C1=N[N-]N=N1	REAL250004619279	0	34	-1.0	-38.56	282.29	2.78	-35.78
CCC(CC)(NC(=O)C1=NOC(CF)=C1)C1=NN=N[N-]1	REAL250004619279	1	34	-1.0	-38.54	282.35	2.78	-35.76
CCC(CC)(NC(=O)COC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004619280	0	39	-1.0	-39.40	314.27	2.66	-36.74
CCC(CC)(NC(=O)COC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004619280	1	39	-1.0	-39.35	314.21	2.64	-36.71
CCC1=NOC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004619281	0	37	-1.0	-34.86	297.19	3.32	-31.54
CCC1=NOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004619281	1	37	-1.0	-34.86	297.25	3.33	-31.53
CCC(CC)(NC(=O)C=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004619282	0	38	-1.0	-36.21	305.43	3.89	-32.32
CCC(CC)(NC(=O)C=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004619282	1	38	-1.0	-36.20	305.50	3.90	-32.30
CCC(CC)(NC(=O)C1CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004619283	0	40	-1.0	-38.38	316.82	4.24	-34.14
CCC(CC)(NC(=O)C1CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004619283	1	40	-1.0	-38.42	316.89	4.25	-34.17
CCC(CC)(NC(=O)C1COC(=O)O1)C1=N[N-]N=N1	REAL250004619284	0	33	-1.0	-39.45	267.84	2.36	-37.09
CCC(CC)(NC(=O)C1COC(=O)O1)C1=NN=N[N-]1	REAL250004619284	1	33	-1.0	-39.44	267.91	2.37	-37.07
CCC(CC)(NC(=O)C(C)C1CCOC1)C1=N[N-]N=N1	REAL250004619285	0	42	-1.0	-35.29	311.08	2.84	-32.45
CCC(CC)(NC(=O)C(C)C1CCOC1)C1=NN=N[N-]1	REAL250004619285	1	42	-1.0	-35.24	311.14	2.84	-32.40
CCC(CC)(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=N[N-]N=N1	REAL250004619286	0	39	-1.0	-34.69	289.35	4.57	-30.12
CCC(CC)(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=NN=N[N-]1	REAL250004619286	1	39	-1.0	-34.65	289.41	4.58	-30.07
CCC(CC)(NC(=O)C1COC2COCC21)C1=N[N-]N=N1	REAL250004619287	0	41	-1.0	-37.43	297.44	0.67	-36.76
CCC(CC)(NC(=O)C1COC2COCC21)C1=NN=N[N-]1	REAL250004619287	1	41	-1.0	-37.40	297.56	0.67	-36.73
CCC(CC)(NC(=O)CC1OCCC1C)C1=N[N-]N=N1	REAL250004619288	0	42	-1.0	-37.12	310.14	3.56	-33.56
CCC(CC)(NC(=O)CC1OCCC1C)C1=NN=N[N-]1	REAL250004619288	1	42	-1.0	-37.14	310.21	3.56	-33.58
C=C1CC2(C1)CC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C2	REAL250004619289	0	43	-1.0	-34.29	329.62	5.79	-28.50
C=C1CC2(C1)CC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C2	REAL250004619289	1	43	-1.0	-34.32	329.69	5.81	-28.51
CCC(CC)(NC(=O)C1CCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004619290	0	39	-1.0	-34.64	305.73	4.85	-29.79
CCC(CC)(NC(=O)C1CCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004619290	1	39	-1.0	-34.67	305.80	4.86	-29.81
CCC(CC)(NC(=O)CC12CCC(CC1)C2)C1=N[N-]N=N1	REAL250004619291	0	45	-1.0	-34.43	323.93	5.69	-28.74
CCC(CC)(NC(=O)CC12CCC(CC1)C2)C1=NN=N[N-]1	REAL250004619291	1	45	-1.0	-34.42	323.99	5.71	-28.71
CCC(CC)(NC(=O)C1=CC=C(C)N1)C1=NN=N[N-]1	REAL250004619292	0	36	-1.0	-35.34	284.15	2.92	-32.42
CCC(CC)(NC(=O)C1=CC=C(C)N1)C1=N[N-]N=N1	REAL250004619292	1	36	-1.0	-35.33	284.08	2.91	-32.42
CCCOCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619293	0	44	-1.0	-36.10	339.01	3.74	-32.36
CCCOCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619293	1	44	-1.0	-36.14	339.07	3.75	-32.39
CCC(CC)(NC(=O)C1=C(C#N)C=NN1C)C1=NN=N[N-]1	REAL250004619294	0	36	-1.0	-36.45	298.78	2.34	-34.11
CCC(CC)(NC(=O)C1=C(C#N)C=NN1C)C1=N[N-]N=N1	REAL250004619294	1	36	-1.0	-36.42	298.70	2.34	-34.08
CCC(CC)(NC(=O)CC(C)C(C)C(C)C)C1=N[N-]N=N1	REAL250004619295	0	49	-1.0	-33.94	345.72	5.62	-28.32
CCC(CC)(NC(=O)CC(C)C(C)C(C)C)C1=NN=N[N-]1	REAL250004619295	1	49	-1.0	-33.92	345.79	5.63	-28.29
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](OC)C2)C1=N[N-]N=N1	REAL250004619296	0	40	-1.0	-37.45	312.84	3.08	-34.37
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](OC)C2)C1=NN=N[N-]1	REAL250004619296	1	40	-1.0	-37.49	312.91	3.09	-34.40
CCC(CC)(NC(=O)C1CCC(C)(C)OC1)C1=N[N-]N=N1	REAL250004619297	0	45	-1.0	-34.31	327.47	3.46	-30.85
CCC(CC)(NC(=O)C1CCC(C)(C)OC1)C1=NN=N[N-]1	REAL250004619297	1	45	-1.0	-34.30	327.54	3.47	-30.83
CCC(CC)(NC(=O)CC1(C)CCCO1)C1=N[N-]N=N1	REAL250004619298	0	42	-1.0	-37.06	311.64	3.76	-33.30
CCC(CC)(NC(=O)CC1(C)CCCO1)C1=NN=N[N-]1	REAL250004619298	1	42	-1.0	-37.06	311.71	3.77	-33.29
CCC(CC)(NC(=O)C1=NC2=CC=CNC2=C1)C1=NN=N[N-]1	REAL250004619299	0	38	-1.0	-56.83	305.89	2.61	-54.22
CCC(CC)(NC(=O)C1=NC2=CC=CNC2=C1)C1=N[N-]N=N1	REAL250004619299	1	38	-1.0	-56.86	305.82	2.60	-54.26
CCC(CC)(NC(=O)C1C2C3CC1C(=O)C32)C1=N[N-]N=N1	REAL250004619300	0	39	-1.0	-41.71	301.33	4.19	-37.52
CCC(CC)(NC(=O)C1C2C3CC1C(=O)C32)C1=NN=N[N-]1	REAL250004619300	1	39	-1.0	-41.70	301.39	4.21	-37.49
CCC(CC)(NC(=O)C1=CC=C(COC)N1)C1=N[N-]N=N1	REAL250004619301	0	40	-1.0	-35.28	317.42	1.93	-33.35
CCC(CC)(NC(=O)C1=CC=C(COC)N1)C1=NN=N[N-]1	REAL250004619301	1	40	-1.0	-35.34	317.48	1.94	-33.40
CCC(CC)(NC(=O)CC1CC2(CC2)C1)C1=N[N-]N=N1	REAL250004619302	0	42	-1.0	-34.43	319.98	5.70	-28.73
CCC(CC)(NC(=O)CC1CC2(CC2)C1)C1=NN=N[N-]1	REAL250004619302	1	42	-1.0	-34.43	320.04	5.70	-28.73
CCC(CC)(NC(=O)CC1=CC(C)=NN1C)C1=N[N-]N=N1	REAL250004619303	0	41	-1.0	-38.65	322.69	3.21	-35.44
CCC(CC)(NC(=O)CC1=CC(C)=NN1C)C1=NN=N[N-]1	REAL250004619303	1	41	-1.0	-38.65	322.76	3.22	-35.43
CCC(C)CC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619304	0	46	-1.0	-34.30	334.87	5.44	-28.86
CCC(C)CC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619304	1	46	-1.0	-34.32	334.93	5.45	-28.87
CCC(CC)(NC(=O)C1CC12CC(C)(C)C2)C1=N[N-]N=N1	REAL250004619305	0	45	-1.0	-34.45	338.11	6.07	-28.38
CCC(CC)(NC(=O)C1CC12CC(C)(C)C2)C1=NN=N[N-]1	REAL250004619305	1	45	-1.0	-34.48	338.18	6.07	-28.41
CCC(CC)(NC(=O)C1CCCC12CCC2)C1=N[N-]N=N1	REAL250004619306	0	45	-1.0	-34.77	323.72	5.46	-29.31
CCC(CC)(NC(=O)C1CCCC12CCC2)C1=NN=N[N-]1	REAL250004619306	1	45	-1.0	-34.75	323.79	5.47	-29.28
CCC(CC)(NC(=O)[C@H]1CC1(F)F)C1=N[N-]N=N1	REAL250004619307	0	32	-1.0	-35.70	262.49	3.11	-32.59
CCC(CC)(NC(=O)[C@H]1CC1(F)F)C1=NN=N[N-]1	REAL250004619307	1	32	-1.0	-35.72	262.56	3.13	-32.59
CCC(CC)(NC(=O)CC12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL250004619308	0	43	-1.0	-36.87	323.10	3.33	-33.54
CCC(CC)(NC(=O)CC12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL250004619308	1	43	-1.0	-36.85	323.17	3.35	-33.50
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](C)C2)C1=N[N-]N=N1	REAL250004619309	0	39	-1.0	-34.95	299.64	4.86	-30.09
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](C)C2)C1=NN=N[N-]1	REAL250004619309	1	39	-1.0	-34.97	299.70	4.87	-30.10
CCC(CC)(NC(=O)C1=CN=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL250004619310	0	38	-1.0	-33.71	310.24	3.65	-30.06
CCC(CC)(NC(=O)C1=CN=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL250004619310	1	38	-1.0	-33.75	310.31	3.65	-30.10
CCC(CC)(NC(=O)[C@@H]1CCC(=O)O1)C1=N[N-]N=N1	REAL250004619311	0	35	-1.0	-39.55	279.06	3.29	-36.26
CCC(CC)(NC(=O)[C@@H]1CCC(=O)O1)C1=NN=N[N-]1	REAL250004619311	1	35	-1.0	-39.55	279.12	3.30	-36.25
CCC(CC)(NC(=O)C(F)C1CCC1)C1=N[N-]N=N1	REAL250004619312	0	38	-1.0	-33.85	290.37	4.19	-29.66
CCC(CC)(NC(=O)C(F)C1CCC1)C1=NN=N[N-]1	REAL250004619312	1	38	-1.0	-33.90	290.44	4.20	-29.70
CCC(CC)(NC(=O)C(F)C1CCOC1)C1=N[N-]N=N1	REAL250004619313	0	39	-1.0	-33.77	297.19	2.32	-31.45
CCC(CC)(NC(=O)C(F)C1CCOC1)C1=NN=N[N-]1	REAL250004619313	1	39	-1.0	-33.73	297.25	2.32	-31.41
CCC(CC)(NC(=O)C1CCC(C)(CC)O1)C1=N[N-]N=N1	REAL250004619314	0	45	-1.0	-36.55	335.11	4.63	-31.92
CCC(CC)(NC(=O)C1CCC(C)(CC)O1)C1=NN=N[N-]1	REAL250004619314	1	45	-1.0	-36.59	335.18	4.64	-31.95
CCC(CC)(NC(=O)C1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004619315	0	43	-1.0	-36.20	322.93	4.30	-31.90
CCC(CC)(NC(=O)C1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004619315	1	43	-1.0	-36.17	323.00	4.32	-31.85
CCC(CC)(NC(=O)C1CC2(CC(F)C2)C1)C1=N[N-]N=N1	REAL250004619316	0	42	-1.0	-34.52	321.90	5.49	-29.03
CCC(CC)(NC(=O)C1CC2(CC(F)C2)C1)C1=NN=N[N-]1	REAL250004619316	1	42	-1.0	-34.50	321.97	5.49	-29.01
CCC(CC)(NC(=O)C12CC(C1)OC2)C1=N[N-]N=N1	REAL250004619317	0	37	-1.0	-34.78	284.71	1.91	-32.87
CCC(CC)(NC(=O)C12CC(C1)OC2)C1=NN=N[N-]1	REAL250004619317	1	37	-1.0	-34.77	284.78	1.92	-32.85
CCC(CC)(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004619318	0	37	-1.0	-33.98	296.84	0.00	-33.98
CCC(CC)(NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004619318	1	37	-1.0	-33.96	296.91	0.01	-33.95
CCC(CC)(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL250004619319	0	40	-1.0	-33.84	314.00	0.67	-33.17
CCC(CC)(NC(=O)C1CCC(N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL250004619319	1	40	-1.0	-33.87	314.07	0.68	-33.19
CCC(CC)(NC(=O)C1=CC(OC)=CN=N1)C1=NN=N[N-]1	REAL250004619320	0	37	-1.0	-39.23	297.97	0.87	-38.36
CCC(CC)(NC(=O)C1=CC(OC)=CN=N1)C1=N[N-]N=N1	REAL250004619320	1	37	-1.0	-39.24	297.91	0.86	-38.38
CCC(CC)(NC(=O)C1[C@H](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004619321	0	38	-1.0	-34.25	280.31	4.04	-30.21
CCC(CC)(NC(=O)C1[C@H](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004619321	1	38	-1.0	-34.24	280.37	4.06	-30.18
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=N[N-]N=N1	REAL250004619322	0	38	-1.0	-35.27	304.47	4.45	-30.82
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=NN=N[N-]1	REAL250004619322	1	38	-1.0	-35.28	304.54	4.46	-30.82
CCC(CC)(NC(=O)C1CNC(=O)CC1C)C1=N[N-]N=N1	REAL250004619323	0	42	-1.0	-36.52	317.72	1.10	-35.42
CCC(CC)(NC(=O)C1CNC(=O)CC1C)C1=NN=N[N-]1	REAL250004619323	1	42	-1.0	-36.56	317.78	1.11	-35.45
CCC(CC)(NC(=O)C1(F)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL250004619324	0	44	-1.0	-34.54	320.28	4.95	-29.59
CCC(CC)(NC(=O)C1(F)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL250004619324	1	44	-1.0	-34.57	320.33	4.95	-29.62
CCC(CC)(NC(=O)C1CC(C#N)(OC)C1)C1=N[N-]N=N1	REAL250004619325	0	40	-1.0	-36.07	318.15	2.50	-33.57
CCC(CC)(NC(=O)C1CC(C#N)(OC)C1)C1=NN=N[N-]1	REAL250004619325	1	40	-1.0	-36.05	318.22	2.51	-33.54
CCC(CC)(NC(=O)[C@H]1CCO[C@H]1C)C1=N[N-]N=N1	REAL250004619326	0	39	-1.0	-34.90	284.67	1.98	-32.92
CCC(CC)(NC(=O)[C@H]1CCO[C@H]1C)C1=NN=N[N-]1	REAL250004619326	1	39	-1.0	-34.87	284.73	1.99	-32.88
CCC(CC)(NC(=O)CC1COC(C)(C)C1)C1=N[N-]N=N1	REAL250004619327	0	45	-1.0	-35.80	335.47	3.80	-32.00
CCC(CC)(NC(=O)CC1COC(C)(C)C1)C1=NN=N[N-]1	REAL250004619327	1	45	-1.0	-35.82	335.54	3.81	-32.01
CCC(CC)(NC(=O)C1CCCCC(=O)C1)C1=N[N-]N=N1	REAL250004619328	0	43	-1.0	-37.48	315.88	4.24	-33.24
CCC(CC)(NC(=O)C1CCCCC(=O)C1)C1=NN=N[N-]1	REAL250004619328	1	43	-1.0	-37.53	315.94	4.26	-33.27
CCC(CC)(NC(=O)C1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004619329	0	43	-1.0	-36.83	324.12	4.55	-32.28
CCC(CC)(NC(=O)C1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004619329	1	43	-1.0	-36.80	324.19	4.57	-32.23
CCC(CC)(NC(=O)C1CCCC(C)CC1)C1=N[N-]N=N1	REAL250004619330	0	47	-1.0	-33.71	332.39	5.75	-27.96
CCC(CC)(NC(=O)C1CCCC(C)CC1)C1=NN=N[N-]1	REAL250004619330	1	47	-1.0	-33.71	332.46	5.77	-27.94
CCC(CC)(NC(=O)[C@@H]1CC1(F)F)C1=N[N-]N=N1	REAL250004619331	0	32	-1.0	-35.70	262.49	3.11	-32.59
CCC(CC)(NC(=O)[C@@H]1CC1(F)F)C1=NN=N[N-]1	REAL250004619331	1	32	-1.0	-35.69	262.55	3.13	-32.56
CCC(CC)(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=N[N-]N=N1	REAL250004619332	0	35	-1.0	-38.75	273.34	3.95	-34.80
CCC(CC)(NC(=O)[C@@H]1C[C@@H]1C(F)F)C1=NN=N[N-]1	REAL250004619332	1	35	-1.0	-38.76	273.40	3.95	-34.81
CCC(CC)(NC(=O)C1=NNC(C)=C1Cl)C1=N[N-]N=N1	REAL250004619333	0	35	-1.0	-39.25	295.27	1.95	-37.30
CCC(CC)(NC(=O)C1=NNC(C)=C1Cl)C1=NN=N[N-]1	REAL250004619333	1	35	-1.0	-39.25	295.34	1.96	-37.29
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=N[N-]N=N1	REAL250004619334	0	38	-1.0	-36.33	309.60	0.72	-35.61
CCC(CC)(NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=NN=N[N-]1	REAL250004619334	1	38	-1.0	-36.29	309.67	0.74	-35.55
CCC(CC)(NC(=O)C1CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL250004619335	0	42	-1.0	-37.81	325.94	4.17	-33.64
CCC(CC)(NC(=O)C1CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL250004619335	1	42	-1.0	-37.86	326.00	4.17	-33.69
CCC(CC)(NC(=O)CCC(C)(C)C#N)C1=N[N-]N=N1	REAL250004619336	0	41	-1.0	-38.55	316.50	4.20	-34.35
CCC(CC)(NC(=O)CCC(C)(C)C#N)C1=NN=N[N-]1	REAL250004619336	1	41	-1.0	-38.56	316.57	4.22	-34.34
CCC(CC)(NC(=O)CCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004619337	0	33	-1.0	-33.36	270.64	-1.25	-34.61
CCC(CC)(NC(=O)CCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004619337	1	33	-1.0	-33.36	270.70	-1.24	-34.60
CCC(CC)(NC(=O)CCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004619338	0	36	-1.0	-36.06	292.09	-0.44	-36.50
CCC(CC)(NC(=O)CCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004619338	1	36	-1.0	-36.03	292.16	-0.43	-36.46
CCOCC(N=[N+]=[N-])C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619339	0	40	-1.0	-33.13	325.80	-1.23	-34.36
CCOCC(N=[N+]=[N-])C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619339	1	40	-1.0	-33.07	325.87	-1.21	-34.28
CCC(CC)(NC(=O)C1CC(C2CCC2)C1)C1=N[N-]N=N1	REAL250004619340	0	45	-1.0	-34.64	335.50	6.07	-28.57
CCC(CC)(NC(=O)C1CC(C2CCC2)C1)C1=NN=N[N-]1	REAL250004619340	1	45	-1.0	-34.70	335.56	6.08	-28.62
CCC(CC)(NC(=O)C(C)NC(=O)NC)C1=N[N-]N=N1	REAL250004619341	0	40	-1.0	-37.35	313.57	-0.67	-38.02
CCC(CC)(NC(=O)C(C)NC(=O)NC)C1=NN=N[N-]1	REAL250004619341	1	40	-1.0	-37.36	313.64	-0.66	-38.02
CCC(CC)(NC(=O)[C@H](C)NC(=O)NC)C1=N[N-]N=N1	REAL250004619342	0	40	-1.0	-37.41	313.57	-0.67	-38.08
CCC(CC)(NC(=O)[C@H](C)NC(=O)NC)C1=NN=N[N-]1	REAL250004619342	1	40	-1.0	-37.45	313.64	-0.66	-38.11
CCC(CC)(NC(=O)[C@@H](C)NC(=O)NC)C1=N[N-]N=N1	REAL250004619343	0	40	-1.0	-37.14	312.77	-0.57	-37.71
CCC(CC)(NC(=O)[C@@H](C)NC(=O)NC)C1=NN=N[N-]1	REAL250004619343	1	40	-1.0	-37.16	312.84	-0.55	-37.71
CCC(CC)(NC(=O)C1CCSC(C)C1)C1=N[N-]N=N1	REAL250004619344	0	42	-1.0	-33.60	321.99	5.10	-28.50
CCC(CC)(NC(=O)C1CCSC(C)C1)C1=NN=N[N-]1	REAL250004619344	1	42	-1.0	-33.56	322.05	5.12	-28.44
CCC(CC)(NC(=O)CCC(C)(C)F)C1=N[N-]N=N1	REAL250004619345	0	40	-1.0	-34.85	306.02	4.23	-30.62
CCC(CC)(NC(=O)CCC(C)(C)F)C1=NN=N[N-]1	REAL250004619345	1	40	-1.0	-34.83	306.08	4.24	-30.59
CCC(CC)(NC(=O)CCC1CC(OC)C1)C1=N[N-]N=N1	REAL250004619346	0	45	-1.0	-36.27	343.67	3.94	-32.33
CCC(CC)(NC(=O)CCC1CC(OC)C1)C1=NN=N[N-]1	REAL250004619346	1	45	-1.0	-36.27	343.74	3.95	-32.32
CCCCC[C@@H](O)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619347	0	47	-1.0	-36.62	356.37	3.64	-32.98
CCCCC[C@@H](O)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619347	1	47	-1.0	-36.69	356.43	3.64	-33.05
CCC1=C(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NO1	REAL250004619348	0	40	-1.0	-38.12	314.38	4.05	-34.07
CCC1=C(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NO1	REAL250004619348	1	40	-1.0	-38.13	314.43	4.06	-34.07
CCC(CC)(NC(=O)C1CCCCNC1=O)C1=N[N-]N=N1	REAL250004619349	0	42	-1.0	-35.01	289.31	1.15	-33.86
CCC(CC)(NC(=O)C1CCCCNC1=O)C1=NN=N[N-]1	REAL250004619349	1	42	-1.0	-35.02	289.37	1.15	-33.87
CCC(CC)(NC(=O)CN1C=NC=N1)C1=NN=N[N-]1	REAL250004619350	0	34	-1.0	-41.32	275.52	3.99	-37.33
CCC(CC)(NC(=O)CN1C=NC=N1)C1=N[N-]N=N1	REAL250004619350	1	34	-1.0	-41.35	275.46	3.98	-37.37
CCC(CC)(NC(=O)CC(C)(O)COC)C1=N[N-]N=N1	REAL250004619351	0	42	-1.0	-38.32	319.77	0.47	-37.85
CCC(CC)(NC(=O)CC(C)(O)COC)C1=NN=N[N-]1	REAL250004619351	1	42	-1.0	-38.34	319.84	0.48	-37.86
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CS1	REAL250004619352	0	38	-1.0	-35.25	305.51	4.92	-30.33
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CS1	REAL250004619352	1	38	-1.0	-35.28	305.58	4.93	-30.35
CCC1=NOC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004619354	0	39	-1.0	-38.57	305.76	3.63	-34.94
CCC1=NOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004619354	1	39	-1.0	-38.60	305.82	3.63	-34.97
CCC(CC)(NC(=O)C(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004619355	0	42	-1.0	-34.11	317.56	2.87	-31.24
CCC(CC)(NC(=O)C(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004619355	1	42	-1.0	-34.08	317.62	2.89	-31.19
CCC1=CC=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL250004619356	0	40	-1.0	-38.77	316.05	4.15	-34.62
CCC1=CC=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL250004619356	1	40	-1.0	-38.78	316.12	4.17	-34.61
CCC(CC)(NC(=O)C1=C(C)C=NS1)C1=NN=N[N-]1	REAL250004619357	0	34	-1.0	-34.65	280.96	2.75	-31.90
CCC(CC)(NC(=O)C1=C(C)C=NS1)C1=N[N-]N=N1	REAL250004619357	1	34	-1.0	-34.67	280.90	2.74	-31.93
C#CCOCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004619358	0	34	-1.0	-38.48	280.85	2.85	-35.63
C#CCOCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004619358	1	34	-1.0	-38.49	280.91	2.86	-35.63
CCC(CC)(NC(=O)[C@H]1CC(=O)N1)C1=N[N-]N=N1	REAL250004619359	0	33	-1.0	-38.35	264.93	-1.52	-39.87
CCC(CC)(NC(=O)[C@H]1CC(=O)N1)C1=NN=N[N-]1	REAL250004619359	1	33	-1.0	-38.36	265.00	-1.50	-39.86
CCC(CC)(NC(=O)C1CC(=O)NC1(C)C)C1=N[N-]N=N1	REAL250004619360	0	42	-1.0	-35.94	314.51	0.79	-35.15
CCC(CC)(NC(=O)C1CC(=O)NC1(C)C)C1=NN=N[N-]1	REAL250004619360	1	42	-1.0	-35.91	314.58	0.79	-35.12
CCC(CC)(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=N[N-]N=N1	REAL250004619361	0	40	-1.0	-38.30	308.46	1.20	-37.10
CCC(CC)(NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=NN=N[N-]1	REAL250004619361	1	40	-1.0	-38.27	308.53	1.21	-37.06
CCC(CC)(NC(=O)CC1CC(C)OC1C)C1=N[N-]N=N1	REAL250004619362	0	45	-1.0	-34.35	331.36	3.54	-30.81
CCC(CC)(NC(=O)CC1CC(C)OC1C)C1=NN=N[N-]1	REAL250004619362	1	45	-1.0	-34.39	331.43	3.55	-30.84
CCC(CC)(NC(=O)C1=COC(Cl)=C1)C1=N[N-]N=N1	REAL250004619363	0	32	-1.0	-33.39	275.50	3.15	-30.24
CCC(CC)(NC(=O)C1=COC(Cl)=C1)C1=NN=N[N-]1	REAL250004619363	1	32	-1.0	-33.36	275.57	3.16	-30.20
CCC(CC)(NC(=O)C1=C(C)C=C(F)S1)C1=N[N-]N=N1	REAL250004619364	0	35	-1.0	-33.25	290.50	4.36	-28.89
CCC(CC)(NC(=O)C1=C(C)C=C(F)S1)C1=NN=N[N-]1	REAL250004619364	1	35	-1.0	-33.29	290.57	4.36	-28.93
CCC(CC)(NC(=O)C1C2C3CC1CC32)C1=N[N-]N=N1	REAL250004619365	0	40	-1.0	-34.78	296.54	5.01	-29.77
CCC(CC)(NC(=O)C1C2C3CC1CC32)C1=NN=N[N-]1	REAL250004619365	1	40	-1.0	-34.75	296.60	5.02	-29.73
CCC(CC)(NC(=O)COCCCC(C)C)C1=N[N-]N=N1	REAL250004619366	0	47	-1.0	-35.87	357.12	5.18	-30.69
CCC(CC)(NC(=O)COCCCC(C)C)C1=NN=N[N-]1	REAL250004619366	1	47	-1.0	-35.90	357.18	5.20	-30.70
CCC(CC)(NC(=O)C=CC1CCC1)C1=N[N-]N=N1	REAL250004619367	0	39	-1.0	-34.71	302.45	4.85	-29.86
CCC(CC)(NC(=O)C=CC1CCC1)C1=NN=N[N-]1	REAL250004619367	1	39	-1.0	-34.77	302.52	4.87	-29.90
CCC(CC)(NC(=O)C1=CN(C)C(C)=C1)C1=N[N-]N=N1	REAL250004619368	0	39	-1.0	-39.13	304.03	4.62	-34.51
CCC(CC)(NC(=O)C1=CN(C)C(C)=C1)C1=NN=N[N-]1	REAL250004619368	1	39	-1.0	-39.17	304.10	4.63	-34.54
CCC(CC)(NC(=O)CC1=CN=NS1)C1=N[N-]N=N1	REAL250004619369	0	33	-1.0	-37.48	279.23	1.76	-35.72
CCC(CC)(NC(=O)CC1=CN=NS1)C1=NN=N[N-]1	REAL250004619369	1	33	-1.0	-37.49	279.29	1.77	-35.72
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004619371	0	42	-1.0	-35.50	328.40	6.47	-29.03
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004619371	1	42	-1.0	-35.49	328.47	6.48	-29.01
O=C(NC1CCCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619372	0	36	-1.0	-55.75	296.70	3.71	-52.04
O=C(NC1CCCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619372	1	36	-1.0	-55.54	296.80	3.72	-51.82
O=C(NC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619373	0	33	-1.0	-36.29	282.96	0.58	-35.71
O=C(NC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619373	1	33	-1.0	-36.30	283.03	0.59	-35.71
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C(F)F	REAL250004619374	0	28	-1.0	-46.43	265.26	1.72	-44.71
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C(F)F	REAL250004619374	1	28	-1.0	-46.46	265.32	1.73	-44.73
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1C#N	REAL250004619375	0	39	-1.0	-56.97	304.80	4.77	-52.20
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1C#N	REAL250004619375	1	39	-1.0	-56.98	304.85	4.79	-52.19
CC(CCCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004619377	0	37	-1.0	-49.95	321.56	4.17	-45.78
CC(CCCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004619377	1	37	-1.0	-49.97	321.62	4.19	-45.78
O=C(NCC1=CC=NC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619378	0	33	-1.0	-52.40	293.19	4.37	-48.03
O=C(NCC1=CC=NC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619378	1	33	-1.0	-52.23	293.29	4.38	-47.85
O=C(NCC1=CC=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619379	0	30	-1.0	-37.99	279.46	1.24	-36.75
O=C(NCC1=CC=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619379	1	30	-1.0	-37.94	279.53	1.24	-36.70
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=NC1=O	REAL250004619381	0	37	-1.0	-62.69	320.82	1.15	-61.54
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=NC1=O	REAL250004619381	1	37	-1.0	-62.69	320.88	1.17	-61.52
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CN=C2)C1	REAL250004619384	0	39	-1.0	-50.06	325.35	5.41	-44.65
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CN=C2)C1	REAL250004619384	1	39	-1.0	-50.08	325.41	5.43	-44.65
CC(C)C(C)(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004619385	0	38	-1.0	-45.91	292.64	-0.31	-46.22
CC(C)C(C)(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004619385	1	38	-1.0	-45.90	292.70	-0.29	-46.19
CC(C)C(C)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619386	0	38	-1.0	-36.66	302.76	-0.51	-37.17
CC(C)C(C)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619386	1	38	-1.0	-36.66	302.83	-0.50	-37.16
CC(C)(C)C(C#N)NC(=O)CCCC1=N[N-]N=N1	REAL250004619387	0	35	-1.0	-49.44	293.05	2.90	-46.54
CC(C)(C)C(C#N)NC(=O)CCCC1=NN=N[N-]1	REAL250004619387	1	35	-1.0	-49.44	293.11	2.91	-46.53
CC(C)(C)C(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619388	0	38	-1.0	-54.23	317.80	5.80	-48.43
CC(C)(C)C(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619388	1	38	-1.0	-54.01	317.86	5.82	-48.19
CC(C)(C)C(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619389	0	35	-1.0	-37.21	303.64	2.71	-34.50
CC(C)(C)C(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619389	1	35	-1.0	-37.23	303.71	2.71	-34.52
CC1=NN(C)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619391	0	35	-1.0	-47.12	301.64	1.61	-45.51
CC1=NN(C)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619391	1	35	-1.0	-47.11	301.70	1.63	-45.48
CC1=NN(C)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004619392	0	35	-1.0	-37.61	312.23	1.40	-36.21
CC1=NN(C)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004619392	1	35	-1.0	-37.62	312.30	1.41	-36.21
CC1COCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619394	0	39	-1.0	-47.60	309.54	1.93	-45.67
CC1COCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619394	1	39	-1.0	-47.61	309.60	1.94	-45.67
CC1=CC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004619395	0	39	-1.0	-48.74	332.34	4.10	-44.64
CC1=CC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004619395	1	39	-1.0	-48.80	332.40	4.11	-44.69
CC(C)C(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619396	0	38	-1.0	-46.88	301.86	-0.31	-47.19
CC(C)C(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619396	1	38	-1.0	-46.89	301.92	-0.30	-47.19
CC(C)C(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619397	0	38	-1.0	-36.89	313.16	0.15	-36.74
CC(C)C(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619397	1	38	-1.0	-36.86	313.23	0.16	-36.70
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CNC2=O	REAL250004619399	0	34	-1.0	-52.36	295.21	0.86	-51.50
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CNC2=O	REAL250004619399	1	34	-1.0	-52.37	295.27	0.87	-51.50
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004619402	0	34	-1.0	-49.28	294.67	1.58	-47.70
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004619402	1	34	-1.0	-49.31	294.73	1.60	-47.71
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004619403	0	34	-1.0	-42.98	305.26	1.37	-41.61
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004619403	1	34	-1.0	-42.92	305.33	1.39	-41.53
CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004619404	0	35	-1.0	-48.85	303.49	2.15	-46.70
CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004619404	1	35	-1.0	-48.85	303.43	2.14	-46.71
CCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004619405	0	35	-1.0	-38.81	314.02	1.93	-36.88
CCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004619405	1	35	-1.0	-38.76	314.09	1.93	-36.83
COC(C)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619406	0	38	-1.0	-40.88	310.43	5.90	-34.98
COC(C)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619406	1	38	-1.0	-40.75	310.54	5.92	-34.83
COC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619407	0	35	-1.0	-38.22	296.53	3.20	-35.02
COC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619407	1	35	-1.0	-38.20	296.59	3.22	-34.98
O=C(CCCC1=N[N-]N=N1)NCC1(C(F)(F)F)CCC1	REAL250004619408	0	35	-1.0	-46.10	298.52	3.65	-42.45
O=C(CCCC1=NN=N[N-]1)NCC1(C(F)(F)F)CCC1	REAL250004619408	1	35	-1.0	-46.11	298.57	3.67	-42.44
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(CO)C1	REAL250004619409	0	36	-1.0	-52.56	293.21	0.99	-51.57
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(CO)C1	REAL250004619409	1	36	-1.0	-52.56	293.27	1.00	-51.56
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=N1	REAL250004619410	0	30	-1.0	-47.36	273.63	2.21	-45.15
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=N1	REAL250004619410	1	30	-1.0	-47.37	273.68	2.23	-45.14
CN(CCC(N)=O)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619412	0	35	-1.0	-43.10	297.14	2.02	-41.08
CN(CCC(N)=O)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619412	1	35	-1.0	-42.94	297.24	2.04	-40.90
CN(CCC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619413	0	32	-1.0	-40.22	282.63	-0.23	-40.45
CN(CCC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619413	1	32	-1.0	-40.22	282.71	-0.19	-40.41
COCCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619414	0	36	-1.0	-57.98	312.46	4.32	-53.66
COCCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619414	1	36	-1.0	-57.77	312.53	4.34	-53.43
COCCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619415	0	33	-1.0	-37.54	298.31	1.22	-36.32
COCCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619415	1	33	-1.0	-37.49	298.38	1.23	-36.26
O=C(CCCC1=N[N-]N=N1)NCC(Cl)Cl	REAL250004619416	0	25	-1.0	-44.82	250.89	1.89	-42.93
O=C(CCCC1=NN=N[N-]1)NCC(Cl)Cl	REAL250004619416	1	25	-1.0	-44.86	250.95	1.91	-42.95
O=C(NCC(Cl)Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619417	0	25	-1.0	-36.39	261.49	1.68	-34.71
O=C(NCC(Cl)Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619417	1	25	-1.0	-36.34	261.55	1.69	-34.65
N#CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619418	0	30	-1.0	-49.42	277.49	-1.31	-50.73
N#CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619418	1	30	-1.0	-49.47	277.54	-1.30	-50.77
N#CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619419	0	30	-1.0	-41.45	288.08	-1.53	-42.98
N#CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619419	1	30	-1.0	-41.45	288.15	-1.52	-42.97
O=C(CCCC1=N[N-]N=N1)NCC1(C(F)(F)F)CC1	REAL250004619420	0	32	-1.0	-46.90	288.30	2.92	-43.98
O=C(CCCC1=NN=N[N-]1)NCC1(C(F)(F)F)CC1	REAL250004619420	1	32	-1.0	-46.91	288.36	2.93	-43.98
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1CC1	REAL250004619421	0	36	-1.0	-48.70	298.19	1.85	-46.85
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1CC1	REAL250004619421	1	36	-1.0	-48.71	298.24	1.86	-46.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC1CC1	REAL250004619422	0	36	-1.0	-35.81	305.85	2.51	-33.30
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC1CC1	REAL250004619422	1	36	-1.0	-35.77	305.92	2.51	-33.26
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004619423	0	39	-1.0	-49.97	325.37	5.40	-44.57
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004619423	1	39	-1.0	-50.00	325.43	5.42	-44.58
CC(C)SCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619424	0	35	-1.0	-48.28	303.65	3.20	-45.08
CC(C)SCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619424	1	35	-1.0	-48.29	303.71	3.21	-45.08
CC(C)SCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619425	0	35	-1.0	-35.55	314.24	2.99	-32.56
CC(C)SCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619425	1	35	-1.0	-35.55	314.31	3.00	-32.55
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)Br	REAL250004619426	0	25	-1.0	-43.69	253.42	1.51	-42.18
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)Br	REAL250004619426	1	25	-1.0	-43.71	253.47	1.52	-42.19
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCCCC2=C1	REAL250004619427	0	36	-1.0	-50.10	296.77	3.72	-46.38
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCCCC2=C1	REAL250004619427	1	36	-1.0	-50.09	296.83	3.73	-46.36
CC(CC1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004619428	0	42	-1.0	-47.48	327.68	3.77	-43.71
CC(CC1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004619428	1	42	-1.0	-47.55	327.74	3.78	-43.77
N#CC1=NN(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004619429	0	32	-1.0	-59.03	297.72	2.34	-56.69
N#CC1=NN(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004619429	1	32	-1.0	-59.05	297.66	2.32	-56.73
CON(CC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004619430	0	38	-1.0	-43.63	302.55	4.46	-39.17
CON(CC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004619430	1	38	-1.0	-43.67	302.61	4.47	-39.20
CON(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619431	0	38	-1.0	-35.87	310.39	5.00	-30.87
CON(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619431	1	38	-1.0	-35.84	310.46	5.00	-30.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCN1	REAL250004619432	0	34	-1.0	-41.01	275.78	5.33	-35.68
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCN1	REAL250004619432	1	34	-1.0	-40.83	275.87	5.36	-35.47
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCN1	REAL250004619433	0	31	-1.0	-37.00	263.40	2.45	-34.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCN1	REAL250004619433	1	31	-1.0	-36.95	263.47	2.46	-34.49
CN(CC1=NNC(=O)O1)C(=O)CCCC1=N[N-]N=N1	REAL250004619434	1	31	-1.0	-51.64	277.45	-1.88	-53.52
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=NC=C2C1	REAL250004619435	0	32	-1.0	-47.86	276.61	3.26	-44.60
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=NC=C2C1	REAL250004619435	1	32	-1.0	-47.89	276.66	3.28	-44.61
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CC=NC=C2C1	REAL250004619436	0	32	-1.0	-36.82	283.68	3.39	-33.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=NC=C2C1	REAL250004619436	1	32	-1.0	-36.80	283.75	3.39	-33.41
CC1(C)COC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619437	0	35	-1.0	-55.81	292.17	2.51	-53.30
CC1(C)COC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619437	1	35	-1.0	-55.84	292.23	2.52	-53.32
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCC1	REAL250004619438	0	42	-1.0	-47.32	331.51	5.32	-42.00
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCC1	REAL250004619438	1	42	-1.0	-47.36	331.57	5.34	-42.02
CC1CCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619439	0	35	-1.0	-53.46	291.36	5.41	-48.05
CC1CCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619439	1	35	-1.0	-53.23	291.46	5.44	-47.79
CC1CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619440	0	32	-1.0	-35.01	272.71	2.45	-32.56
CC1CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619440	1	32	-1.0	-35.04	272.78	2.45	-32.59
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004619441	0	35	-1.0	-49.85	309.91	5.21	-44.64
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004619441	1	35	-1.0	-49.86	309.96	5.22	-44.64
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCC2)CC1	REAL250004619442	0	39	-1.0	-46.49	300.75	5.26	-41.23
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCC2)CC1	REAL250004619442	1	39	-1.0	-46.50	300.80	5.27	-41.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCC2)CC1	REAL250004619443	0	39	-1.0	-35.04	309.06	5.47	-29.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCC2)CC1	REAL250004619443	1	39	-1.0	-35.02	309.12	5.49	-29.53
CCOC1CC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004619444	0	43	-1.0	-47.51	346.23	4.58	-42.93
CCOC1CC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004619444	1	43	-1.0	-47.56	346.29	4.59	-42.97
CC1(C)CCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619445	0	38	-1.0	-53.26	307.43	6.01	-47.25
CC1(C)CCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619445	1	38	-1.0	-53.05	307.51	6.01	-47.04
CC1(C)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619446	0	35	-1.0	-35.08	293.22	2.93	-32.15
CC1(C)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619446	1	35	-1.0	-35.08	293.29	2.93	-32.15
NC(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004619447	0	38	-1.0	-53.67	316.78	-0.87	-54.54
NC(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004619447	1	38	-1.0	-53.67	316.83	-0.85	-54.52
O=C(CCCC1=N[N-]N=N1)NCCC1=CNC(=O)C=C1	REAL250004619448	0	35	-1.0	-56.95	305.19	1.13	-55.82
O=C(CCCC1=NN=N[N-]1)NCCC1=CNC(=O)C=C1	REAL250004619448	1	35	-1.0	-56.96	305.24	1.15	-55.81
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1(CO)CC1	REAL250004619449	0	36	-1.0	-58.23	295.90	4.12	-54.11
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1(CO)CC1	REAL250004619449	1	36	-1.0	-58.50	296.49	4.16	-54.34
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(CO)CC1	REAL250004619450	0	33	-1.0	-38.95	277.90	2.37	-36.58
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(CO)CC1	REAL250004619450	1	33	-1.0	-38.92	277.97	2.38	-36.54
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619451	0	40	-1.0	-47.12	315.81	3.76	-43.36
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619451	1	40	-1.0	-47.16	315.87	3.77	-43.39
CC(O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004619452	0	36	-1.0	-48.08	309.17	1.69	-46.39
CC(O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004619452	1	36	-1.0	-48.10	309.22	1.70	-46.40
CCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004619453	0	35	-1.0	-52.87	296.92	-0.76	-53.63
CCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004619453	1	35	-1.0	-52.86	296.98	-0.75	-53.61
CCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004619454	0	35	-1.0	-42.99	307.51	-0.96	-43.95
CCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004619454	1	35	-1.0	-42.96	307.57	-0.96	-43.92
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN2N=CC=C21	REAL250004619455	0	33	-1.0	-59.30	280.04	5.54	-53.76
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN2N=CC=C21	REAL250004619455	1	33	-1.0	-59.61	279.55	5.54	-54.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2N=CC=C21	REAL250004619456	0	30	-1.0	-37.36	268.27	3.30	-34.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2N=CC=C21	REAL250004619456	1	30	-1.0	-37.40	268.20	3.29	-34.11
CC1CC(C2=CC=CC=C2)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619457	0	42	-1.0	-48.26	341.45	7.58	-40.68
CC1CC(C2=CC=CC=C2)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619457	1	42	-1.0	-48.24	341.51	7.60	-40.64
CC(C)C(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619458	0	35	-1.0	-55.73	302.78	5.32	-50.41
CC(C)C(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619458	1	35	-1.0	-55.54	302.85	5.34	-50.20
CC(C)C(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619459	0	32	-1.0	-37.95	284.96	1.92	-36.03
CC(C)C(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619459	1	32	-1.0	-37.93	285.03	1.93	-36.00
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)CC1=CC=CC=C1	REAL250004619460	0	39	-1.0	-47.26	331.96	1.80	-45.46
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)CC1=CC=CC=C1	REAL250004619460	1	39	-1.0	-47.27	332.02	1.81	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C(O)C=C1F	REAL250004619461	1	30	-1.0	-46.47	285.14	1.17	-45.30
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C(O)C=C1F	REAL250004619461	1	30	-1.0	-46.46	285.20	1.18	-45.28
CC1=CC=CC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619462	0	40	-1.0	-49.03	337.89	3.86	-45.17
CC1=CC=CC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619462	1	40	-1.0	-49.07	337.95	3.87	-45.20
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC(F)=C2)C1	REAL250004619463	0	36	-1.0	-48.99	310.18	5.60	-43.39
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC(F)=C2)C1	REAL250004619463	1	36	-1.0	-48.96	310.24	5.62	-43.34
C=CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619464	0	41	-1.0	-46.64	339.48	4.91	-41.73
C=CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619464	1	41	-1.0	-46.72	339.53	4.92	-41.80
CC(NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=NC=C1F	REAL250004619465	0	34	-1.0	-46.54	300.72	2.72	-43.82
CC(NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=NC=C1F	REAL250004619465	1	34	-1.0	-46.56	300.78	2.74	-43.82
C#CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004619466	0	37	-1.0	-48.47	323.55	7.08	-41.39
C#CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004619466	1	37	-1.0	-48.45	323.61	7.10	-41.35
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004619467	0	40	-1.0	-48.73	328.81	4.40	-44.33
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004619467	1	40	-1.0	-48.72	328.86	4.42	-44.30
COC(=O)C(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004619468	0	40	-1.0	-47.86	329.58	2.92	-44.94
COC(=O)C(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004619468	1	40	-1.0	-47.84	329.63	2.94	-44.90
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004619469	0	35	-1.0	-47.52	301.74	4.82	-42.70
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004619469	1	35	-1.0	-47.51	301.80	4.83	-42.68
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004619470	0	41	-1.0	-47.62	319.72	6.67	-40.95
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004619470	1	41	-1.0	-47.65	319.77	6.68	-40.97
CC1=NOC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619471	0	37	-1.0	-54.55	313.54	2.09	-52.46
CC1=NOC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619471	1	37	-1.0	-54.54	313.60	2.11	-52.43
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619472	0	40	-1.0	-47.12	315.81	3.76	-43.36
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619472	1	40	-1.0	-47.16	315.87	3.77	-43.39
CCN(CCOC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619473	0	38	-1.0	-57.45	306.44	5.70	-51.75
CCN(CCOC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619473	1	38	-1.0	-57.71	306.49	5.75	-51.96
CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619474	0	35	-1.0	-35.58	297.10	3.29	-32.29
CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619474	1	35	-1.0	-35.56	297.17	3.31	-32.25
CO[C@H]1C[C@@H](N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619475	0	36	-1.0	-46.87	292.31	2.49	-44.38
CO[C@H]1C[C@@H](N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619475	1	36	-1.0	-46.84	292.37	2.51	-44.33
CO[C@H]1C[C@@H](N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619476	0	36	-1.0	-36.12	299.84	2.91	-33.21
CO[C@H]1C[C@@H](N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619476	1	36	-1.0	-36.11	299.90	2.92	-33.19
COCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004619477	0	32	-1.0	-53.13	295.16	1.81	-51.32
COCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004619477	1	32	-1.0	-53.15	295.10	1.80	-51.35
CC1CSCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004619478	0	33	-1.0	-46.63	283.70	2.92	-43.71
CC1CSCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004619478	1	33	-1.0	-46.64	283.75	2.93	-43.71
CC1CSCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619479	0	33	-1.0	-35.61	294.27	2.71	-32.90
CC1CSCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619479	1	33	-1.0	-35.61	294.34	2.71	-32.90
COC1C2CC3CN(C(=O)CCCC4=N[N-]N=N4)C1C3C2	REAL250004619480	0	41	-1.0	-49.13	316.75	5.00	-44.13
COC1C2CC3CN(C(=O)CCCC4=NN=N[N-]4)C1C3C2	REAL250004619480	1	41	-1.0	-49.12	316.81	5.02	-44.10
CC(C1=CC=CC=C1)N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004619481	0	42	-1.0	-46.67	331.75	7.27	-39.40
CC(C1=CC=CC=C1)N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004619481	1	42	-1.0	-46.68	331.80	7.28	-39.40
C#CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619482	0	38	-1.0	-49.47	336.23	4.26	-45.21
C#CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619482	1	38	-1.0	-49.47	336.28	4.27	-45.20
O=C(CCCC1=N[N-]N=N1)N1CCSC12CCCCC2	REAL250004619483	0	40	-1.0	-43.00	304.85	5.25	-37.75
O=C(CCCC1=NN=N[N-]1)N1CCSC12CCCCC2	REAL250004619483	1	40	-1.0	-43.03	304.90	5.27	-37.76
CC(C)N(CCOCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004619484	0	42	-1.0	-47.04	333.27	1.43	-45.61
CC(C)N(CCOCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004619484	1	42	-1.0	-47.02	333.33	1.44	-45.58
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C2CC1COC2	REAL250004619485	0	34	-1.0	-56.56	280.22	3.96	-52.60
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C2CC1COC2	REAL250004619485	1	34	-1.0	-56.37	280.32	3.97	-52.40
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CC1COC2	REAL250004619486	0	31	-1.0	-37.21	268.12	1.54	-35.67
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CC1COC2	REAL250004619486	1	31	-1.0	-37.19	268.19	1.55	-35.64
CC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004619487	0	34	-1.0	-50.95	298.37	3.83	-47.12
CC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004619487	1	34	-1.0	-50.98	298.42	3.85	-47.13
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=CC=CN2N=C1	REAL250004619489	0	35	-1.0	-50.37	306.88	3.30	-47.07
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=CC=CN2N=C1	REAL250004619489	1	35	-1.0	-50.36	306.82	3.28	-47.08
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004619490	0	38	-1.0	-46.70	285.77	4.89	-41.81
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004619490	1	38	-1.0	-46.72	285.83	4.91	-41.81
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004619491	0	38	-1.0	-36.03	299.73	5.98	-30.05
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004619491	1	38	-1.0	-36.00	299.80	5.99	-30.01
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C2CCCCN12	REAL250004619492	0	39	-1.0	-48.38	322.61	3.60	-44.78
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C2CCCCN12	REAL250004619492	1	39	-1.0	-48.39	322.67	3.61	-44.78
CC1CCCC(C)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619493	0	41	-1.0	-45.69	309.06	4.86	-40.83
CC1CCCC(C)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619493	1	41	-1.0	-45.70	309.11	4.88	-40.82
COC(=O)N(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619494	0	33	-1.0	-55.13	294.12	3.53	-51.60
COC(=O)N(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619494	1	33	-1.0	-54.86	294.18	3.55	-51.31
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCOC1	REAL250004619496	0	33	-1.0	-54.71	270.33	3.29	-51.42
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCOC1	REAL250004619496	1	33	-1.0	-54.58	270.43	3.31	-51.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCOC1	REAL250004619497	0	30	-1.0	-35.39	255.43	1.04	-34.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCOC1	REAL250004619497	1	30	-1.0	-35.35	255.50	1.05	-34.30
CC1=CN2C=C(CNC(=O)CCCC3=N[N-]N=N3)N=C2C=C1	REAL250004619498	0	38	-1.0	-51.82	327.45	4.63	-47.19
CC1=CN2C=C(CNC(=O)CCCC3=NN=N[N-]3)N=C2C=C1	REAL250004619498	1	38	-1.0	-51.82	327.50	4.64	-47.18
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CC=C2)C1	REAL250004619499	0	40	-1.0	-48.95	330.50	7.18	-41.77
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CC=C2)C1	REAL250004619499	1	40	-1.0	-48.93	330.56	7.19	-41.74
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CC=C1F	REAL250004619500	0	30	-1.0	-49.10	272.68	2.38	-46.72
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CC=C1F	REAL250004619500	1	30	-1.0	-49.10	272.74	2.40	-46.70
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCC1	REAL250004619501	0	36	-1.0	-47.64	296.71	0.10	-47.54
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCC1	REAL250004619501	1	36	-1.0	-47.66	296.76	0.11	-47.55
O=C(NCCC1(O)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619502	0	36	-1.0	-36.17	307.30	-0.10	-36.27
O=C(NCCC1(O)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619502	1	36	-1.0	-36.14	307.37	-0.11	-36.25
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004619503	0	36	-1.0	-46.99	296.41	1.50	-45.49
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004619503	1	36	-1.0	-46.95	296.46	1.51	-45.44
COCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004619504	0	36	-1.0	-36.93	307.00	1.30	-35.63
COCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004619504	1	36	-1.0	-36.88	307.07	1.30	-35.58
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CCCO1	REAL250004619505	0	41	-1.0	-45.81	309.83	1.89	-43.92
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CCCO1	REAL250004619505	1	41	-1.0	-45.83	309.89	1.91	-43.92
CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)N1C1CC1	REAL250004619506	0	35	-1.0	-61.15	302.26	6.40	-54.75
CC1=NN=C(NC(=O)CCCC2=NN=N[N-]2)N1C1CC1	REAL250004619506	1	35	-1.0	-61.15	302.32	6.41	-54.74
CC1=CC2=C(C=C1C)N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004619508	0	39	-1.0	-51.49	315.87	6.77	-44.72
CC1=CC2=C(C=C1C)N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004619508	1	39	-1.0	-51.48	315.93	6.79	-44.69
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCOCC1	REAL250004619509	0	40	-1.0	-49.22	316.35	-0.97	-50.19
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCOCC1	REAL250004619509	1	40	-1.0	-49.22	316.41	-0.96	-50.18
O=C(CCCC1=N[N-]N=N1)NC(C(F)F)C1CC1	REAL250004619510	0	32	-1.0	-44.45	283.32	3.04	-41.41
O=C(CCCC1=NN=N[N-]1)NC(C(F)F)C1CC1	REAL250004619510	1	32	-1.0	-44.47	283.37	3.05	-41.42
O=C(NC(C(F)F)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619511	0	32	-1.0	-34.11	289.66	2.71	-31.40
O=C(NC(C(F)F)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619511	1	32	-1.0	-34.15	289.73	2.72	-31.43
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004619512	0	36	-1.0	-49.58	285.82	2.57	-47.01
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004619512	1	36	-1.0	-49.57	285.88	2.58	-46.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCOC1	REAL250004619513	0	36	-1.0	-36.45	293.61	2.98	-33.47
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCOC1	REAL250004619513	1	36	-1.0	-36.43	293.68	3.00	-33.43
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL250004619514	0	36	-1.0	-40.50	291.67	4.50	-36.00
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL250004619514	1	36	-1.0	-40.33	291.77	4.50	-35.83
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004619515	0	33	-1.0	-34.84	276.69	2.19	-32.65
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004619515	1	33	-1.0	-34.77	276.76	2.20	-32.57
CC(O)CC1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619516	0	45	-1.0	-45.66	335.05	3.14	-42.52
CC(O)CC1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619516	1	45	-1.0	-45.69	335.11	3.16	-42.53
C#CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004619517	0	40	-1.0	-50.72	339.68	6.41	-44.31
C#CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004619517	1	40	-1.0	-50.75	339.73	6.43	-44.32
CC1CCCC(C)N1NC(=O)CCCC1=N[N-]N=N1	REAL250004619518	0	40	-1.0	-48.03	316.21	4.17	-43.86
CC1CCCC(C)N1NC(=O)CCCC1=NN=N[N-]1	REAL250004619518	1	40	-1.0	-47.99	316.27	4.18	-43.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NON=C21	REAL250004619519	0	30	-1.0	-44.38	268.13	2.22	-42.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NON=C21	REAL250004619519	1	30	-1.0	-44.38	268.08	2.20	-42.18
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOCC2)CC1	REAL250004619520	0	43	-1.0	-47.14	317.29	3.74	-43.40
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOCC2)CC1	REAL250004619520	1	43	-1.0	-47.13	317.34	3.75	-43.38
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C2)C1	REAL250004619521	0	39	-1.0	-47.25	288.74	5.70	-41.55
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C2)C1	REAL250004619521	1	39	-1.0	-47.27	288.79	5.72	-41.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCCC(C2)C1	REAL250004619522	0	39	-1.0	-35.34	296.33	5.93	-29.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCCC(C2)C1	REAL250004619522	1	39	-1.0	-35.33	296.39	5.94	-29.39
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1=O	REAL250004619523	0	40	-1.0	-51.84	323.06	3.15	-48.69
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1=O	REAL250004619523	1	40	-1.0	-51.87	323.11	3.17	-48.70
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CO2)C1	REAL250004619524	0	37	-1.0	-50.93	311.23	5.28	-45.65
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CO2)C1	REAL250004619524	1	37	-1.0	-50.97	311.29	5.29	-45.68
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(C2CCC2)C1	REAL250004619525	0	39	-1.0	-55.55	316.57	7.23	-48.32
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(C2CCC2)C1	REAL250004619525	1	39	-1.0	-54.75	317.19	7.26	-47.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2CCC2)C1	REAL250004619526	0	36	-1.0	-36.49	304.82	4.71	-31.78
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2CCC2)C1	REAL250004619526	1	36	-1.0	-36.49	304.88	4.72	-31.77
CC(C)C(C)(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004619527	0	38	-1.0	-48.06	295.00	-0.61	-48.67
CC(C)C(C)(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004619527	1	38	-1.0	-48.07	295.05	-0.60	-48.67
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NNC=C1	REAL250004619528	0	39	-1.0	-50.39	311.15	3.56	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NNC=C1	REAL250004619528	1	39	-1.0	-50.36	311.21	3.58	-46.78
N#CC1=CC=CC(C2(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL250004619529	0	37	-1.0	-51.49	324.89	5.28	-46.21
N#CC1=CC=CC(C2(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL250004619529	1	37	-1.0	-51.54	324.95	5.30	-46.24
CCCC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004619530	0	39	-1.0	-49.19	305.36	3.30	-45.89
CCCC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004619530	1	39	-1.0	-49.17	305.42	3.31	-45.86
O=C(CCCC1=N[N-]N=N1)NCCOCCCO	REAL250004619531	0	36	-1.0	-50.00	307.54	-2.01	-52.01
O=C(CCCC1=NN=N[N-]1)NCCOCCCO	REAL250004619531	1	36	-1.0	-50.01	307.60	-2.00	-52.01
O=C(NCCOCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619532	0	36	-1.0	-39.93	318.14	-2.22	-42.15
O=C(NCCOCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619532	1	36	-1.0	-39.89	318.21	-2.21	-42.10
NC(=O)[C@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619533	0	33	-1.0	-53.16	289.57	-2.93	-56.09
NC(=O)[C@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619533	1	33	-1.0	-52.98	289.67	-2.91	-55.89
NC(=O)[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619534	0	30	-1.0	-46.69	276.11	-5.95	-52.64
NC(=O)[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619534	1	30	-1.0	-46.62	276.18	-5.94	-52.56
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C)C1=O	REAL250004619535	0	36	-1.0	-56.05	294.13	2.41	-53.64
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C)C1=O	REAL250004619535	1	36	-1.0	-56.04	294.19	2.43	-53.61
O=C(CCCC1=NN=N[N-]1)NC1=NN2C=CC=CC2=C1	REAL250004619536	0	32	-1.0	-52.83	279.96	4.10	-48.73
O=C(CCCC1=N[N-]N=N1)NC1=NN2C=CC=CC2=C1	REAL250004619536	1	32	-1.0	-52.87	279.90	4.08	-48.79
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004619537	1	40	-1.0	-45.49	302.67	2.17	-43.32
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004619537	1	40	-1.0	-45.52	302.73	2.18	-43.34
O=C(CCCC1=N[N-]N=N1)NC1(C(F)F)CCCCC1	REAL250004619538	0	38	-1.0	-49.13	299.69	4.37	-44.76
O=C(CCCC1=NN=N[N-]1)NC1(C(F)F)CCCCC1	REAL250004619538	1	38	-1.0	-49.17	299.75	4.39	-44.78
COCCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619541	0	38	-1.0	-52.53	325.92	3.55	-48.98
COCCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619541	1	38	-1.0	-52.54	325.97	3.57	-48.97
CCC(C)N(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004619542	0	40	-1.0	-49.60	324.30	5.29	-44.31
CCC(C)N(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004619542	1	40	-1.0	-49.57	324.36	5.30	-44.27
COCCN(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619543	0	37	-1.0	-57.09	314.30	3.30	-53.79
COCCN(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619543	1	37	-1.0	-56.89	314.37	3.32	-53.57
COCCN(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619544	0	34	-1.0	-38.03	300.14	0.24	-37.79
COCCN(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619544	1	34	-1.0	-37.99	300.21	0.25	-37.74
CO[C@H]1C[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004619545	0	36	-1.0	-52.40	303.84	3.77	-48.63
CO[C@H]1C[C@@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004619545	1	36	-1.0	-52.05	304.32	3.76	-48.29
CO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619546	0	33	-1.0	-36.09	290.08	0.65	-35.44
CO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619546	1	33	-1.0	-36.05	290.14	0.65	-35.40
CC1=NN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C(C)=N1	REAL250004619547	0	38	-1.0	-59.81	325.52	4.27	-55.54
CC1=NN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C(C)=N1	REAL250004619547	1	38	-1.0	-59.77	325.58	4.28	-55.49
O=C(CCCC1=N[N-]N=N1)NCCOC(=O)C1CC1	REAL250004619548	0	35	-1.0	-48.32	306.95	3.03	-45.29
O=C(CCCC1=NN=N[N-]1)NCCOC(=O)C1CC1	REAL250004619548	1	35	-1.0	-48.35	307.01	3.05	-45.30
O=C(NOC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619549	0	33	-1.0	-57.08	294.98	7.21	-49.87
O=C(NOC1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619549	1	33	-1.0	-56.92	295.45	7.19	-49.73
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619550	0	30	-1.0	-37.83	281.23	4.08	-33.75
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619550	1	30	-1.0	-37.84	281.29	4.09	-33.75
CSSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619551	0	30	-1.0	-49.47	285.76	3.29	-46.18
CSSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619551	1	30	-1.0	-49.48	285.82	3.31	-46.17
CSSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619552	0	30	-1.0	-36.49	296.36	3.09	-33.40
CSSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619552	1	30	-1.0	-36.43	296.42	3.10	-33.33
O=C(CCCC1=NN=N[N-]1)NC1=NN=CN1C1CC1	REAL250004619553	0	32	-1.0	-60.04	280.40	6.45	-53.59
O=C(CCCC1=N[N-]N=N1)NC1=NN=CN1C1CC1	REAL250004619553	1	32	-1.0	-59.95	280.34	6.43	-53.52
O=C(NC1=NN=CN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619554	0	32	-1.0	-43.49	290.97	6.23	-37.26
O=C(NC1=NN=CN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619554	1	32	-1.0	-43.54	290.90	6.23	-37.31
CCN1C=NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619555	0	31	-1.0	-60.71	272.69	5.98	-54.73
CCN1C=NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619555	1	31	-1.0	-60.66	272.64	5.97	-54.69
CCN1C=NN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619556	0	34	-1.0	-67.59	296.94	8.89	-58.70
CCN1C=NN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619556	1	34	-1.0	-67.32	297.43	8.86	-58.46
CCN1C=NN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619557	0	31	-1.0	-44.24	283.26	5.75	-38.49
CCN1C=NN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619557	1	31	-1.0	-44.24	283.20	5.75	-38.49
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=NNC=C2C=C1	REAL250004619558	0	38	-1.0	-55.73	326.83	2.96	-52.77
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=NNC=C2C=C1	REAL250004619558	1	38	-1.0	-55.75	326.89	2.98	-52.77
CCOC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004619559	0	39	-1.0	-48.08	324.41	4.34	-43.74
CCOC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004619559	1	39	-1.0	-48.09	324.47	4.35	-43.74
CC(C)(C)C(O)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004619560	0	45	-1.0	-48.31	351.00	-0.95	-49.26
CC(C)(C)C(O)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004619560	1	45	-1.0	-48.29	351.06	-0.93	-49.22
O=C(CCCC1=N[N-]N=N1)NCCCC(F)(F)F	REAL250004619561	0	31	-1.0	-47.13	280.30	2.40	-44.73
O=C(CCCC1=NN=N[N-]1)NCCCC(F)(F)F	REAL250004619561	1	31	-1.0	-47.14	280.36	2.41	-44.73
C[C@H](CO)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619564	0	35	-1.0	-39.11	283.70	2.72	-36.39
C[C@H](CO)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619564	1	35	-1.0	-38.95	283.78	2.74	-36.21
C[C@H](CO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619565	0	32	-1.0	-36.74	268.33	0.55	-36.19
C[C@H](CO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619565	1	32	-1.0	-36.70	268.39	0.56	-36.14
CC1=NOC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619566	0	36	-1.0	-44.53	303.22	0.33	-44.20
CC1=NOC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619566	1	36	-1.0	-44.54	303.28	0.35	-44.19
COC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004619567	0	29	-1.0	-52.75	272.13	1.49	-51.26
COC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004619567	1	29	-1.0	-52.73	272.07	1.47	-51.26
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCO1	REAL250004619568	0	40	-1.0	-49.27	314.69	3.91	-45.36
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCO1	REAL250004619568	1	40	-1.0	-49.28	314.74	3.92	-45.36
CON(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004619569	0	40	-1.0	-45.51	315.63	2.93	-42.58
CON(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004619569	1	40	-1.0	-45.50	315.69	2.94	-42.56
N#CCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619570	0	33	-1.0	-51.30	292.30	4.72	-46.58
N#CCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619570	1	33	-1.0	-51.35	292.36	4.74	-46.61
C=CCCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004619572	0	36	-1.0	-46.12	304.95	0.32	-45.80
C=CCCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004619572	1	36	-1.0	-46.15	305.01	0.34	-45.81
C=CCCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619573	0	36	-1.0	-36.45	315.54	0.12	-36.33
C=CCCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619573	1	36	-1.0	-36.42	315.61	0.14	-36.28
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)O	REAL250004619574	0	38	-1.0	-54.75	307.75	3.73	-51.02
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)O	REAL250004619574	1	38	-1.0	-54.56	307.82	3.75	-50.81
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)O	REAL250004619575	0	35	-1.0	-34.72	293.58	-0.33	-35.05
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)O	REAL250004619575	1	35	-1.0	-34.70	293.66	-0.30	-35.00
C=CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004619576	0	42	-1.0	-46.45	330.61	4.96	-41.49
C=CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004619576	1	42	-1.0	-46.46	330.67	4.98	-41.48
CC1(C2(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL250004619577	0	39	-1.0	-52.27	310.23	6.82	-45.45
CC1(C2(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL250004619577	1	39	-1.0	-52.10	310.33	6.83	-45.27
CC1(C2(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL250004619578	0	36	-1.0	-35.16	296.47	3.68	-31.48
CC1(C2(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL250004619578	1	36	-1.0	-35.13	296.53	3.70	-31.43
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2N1	REAL250004619579	0	36	-1.0	-46.74	310.97	3.40	-43.34
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2N1	REAL250004619579	1	36	-1.0	-46.77	311.02	3.42	-43.35
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1C(C)C	REAL250004619580	0	44	-1.0	-48.28	334.82	5.98	-42.30
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1C(C)C	REAL250004619580	1	44	-1.0	-48.28	334.88	6.00	-42.28
CCN1C=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619581	0	38	-1.0	-46.74	318.88	3.40	-43.34
CCN1C=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619581	1	38	-1.0	-46.78	318.93	3.41	-43.37
CCCC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004619582	0	37	-1.0	-46.91	319.48	0.59	-46.32
CCCC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004619582	1	37	-1.0	-46.98	319.53	0.60	-46.38
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004619583	0	41	-1.0	-45.50	313.49	4.90	-40.60
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004619583	1	41	-1.0	-45.49	313.55	4.91	-40.58
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C(F)=C1F	REAL250004619584	0	30	-1.0	-45.97	276.05	0.68	-45.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C(F)=C1F	REAL250004619584	1	30	-1.0	-45.99	276.10	0.70	-45.29
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004619585	0	38	-1.0	-46.83	301.86	3.85	-42.98
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004619585	1	38	-1.0	-46.85	301.92	3.87	-42.98
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004619586	0	38	-1.0	-35.22	312.45	3.66	-31.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004619586	1	38	-1.0	-35.19	312.52	3.67	-31.52
CC1=CC=CN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619587	0	40	-1.0	-49.33	334.13	3.72	-45.61
CC1=CC=CN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619587	1	40	-1.0	-49.34	334.19	3.73	-45.61
C=CC(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619588	0	38	-1.0	-52.37	309.96	5.97	-46.40
C=CC(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619588	1	38	-1.0	-52.13	310.03	5.99	-46.14
C=CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619589	0	35	-1.0	-34.68	295.81	2.88	-31.80
C=CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619589	1	35	-1.0	-34.65	295.88	2.89	-31.76
O=C(CCCC1=N[N-]N=N1)N1CCC2CC(O)CCC2C1	REAL250004619590	0	43	-1.0	-48.92	329.68	2.58	-46.34
O=C(CCCC1=NN=N[N-]1)N1CCC2CC(O)CCC2C1	REAL250004619590	1	43	-1.0	-48.97	329.74	2.59	-46.38
CCC1CN(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619591	1	43	-1.0	-45.68	321.28	2.81	-42.87
CC(CC1=CC=CC(O)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004619592	0	39	-1.0	-51.97	329.88	2.39	-49.58
CC(CC1=CC=CC(O)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004619592	1	39	-1.0	-52.03	329.94	2.40	-49.63
CCN1C=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004619593	0	38	-1.0	-48.92	322.31	2.91	-46.01
CCN1C=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004619593	1	38	-1.0	-48.96	322.25	2.90	-46.06
COC1=CC=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619594	0	33	-1.0	-48.64	296.56	3.27	-45.37
COC1=CC=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619594	1	33	-1.0	-48.66	296.62	3.28	-45.38
CC1=NC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C2O1	REAL250004619595	0	34	-1.0	-49.06	296.72	1.02	-48.04
CC1=NC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C2O1	REAL250004619595	1	34	-1.0	-49.07	296.78	1.04	-48.03
CC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619596	0	37	-1.0	-52.51	294.15	5.30	-47.21
CC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619596	1	37	-1.0	-52.51	294.21	5.31	-47.20
CON1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004619597	0	35	-1.0	-47.47	287.29	1.44	-46.03
CON1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004619597	1	35	-1.0	-47.52	287.35	1.46	-46.06
CON1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004619598	0	35	-1.0	-35.51	295.28	1.63	-33.88
CON1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004619598	1	35	-1.0	-35.39	294.96	1.69	-33.70
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619599	0	41	-1.0	-51.39	330.10	4.61	-46.78
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619599	1	41	-1.0	-51.38	330.16	4.63	-46.75
O=C(CCCC1=NN=N[N-]1)NC1=NC=CC2=CC=CC=C21	REAL250004619600	0	34	-1.0	-54.37	292.28	5.42	-48.95
O=C(CCCC1=N[N-]N=N1)NC1=NC=CC2=CC=CC=C21	REAL250004619600	1	34	-1.0	-54.36	292.22	5.40	-48.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1C=CNC2=O	REAL250004619601	0	35	-1.0	-53.96	300.81	2.72	-51.24
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1C=CNC2=O	REAL250004619601	1	35	-1.0	-53.99	300.87	2.73	-51.26
CC(=O)CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619602	0	39	-1.0	-50.34	328.37	3.48	-46.86
CC(=O)CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619602	1	39	-1.0	-50.39	328.43	3.49	-46.90
CCS(=O)(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619603	0	35	-1.0	-58.01	310.41	0.53	-57.48
CCS(=O)(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619603	1	35	-1.0	-58.01	310.47	0.54	-57.47
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC12COC2	REAL250004619606	0	34	-1.0	-63.16	286.04	3.46	-59.70
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC12COC2	REAL250004619606	1	34	-1.0	-64.03	285.54	3.46	-60.57
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12COC2	REAL250004619607	0	31	-1.0	-37.72	272.66	0.79	-36.93
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12COC2	REAL250004619607	1	31	-1.0	-37.71	272.72	0.78	-36.93
O=C(CCCC1=NN=N[N-]1)NC1CC(O)C1N1C=CC=N1	REAL250004619608	0	37	-1.0	-50.41	312.16	-0.50	-50.91
O=C(CCCC1=N[N-]N=N1)NC1CC(O)C1N1C=CC=N1	REAL250004619608	1	37	-1.0	-50.41	312.10	-0.52	-50.93
CC1=NNC(C)=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004619609	0	38	-1.0	-51.68	321.12	1.80	-49.88
CC1=NNC(C)=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004619609	1	38	-1.0	-51.65	321.07	1.79	-49.86
O=C(NCC1CSC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619610	0	33	-1.0	-52.64	291.59	5.06	-47.58
O=C(NCC1CSC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619610	1	33	-1.0	-52.44	291.69	5.08	-47.36
O=C(NCC1CSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619611	0	30	-1.0	-36.66	277.81	1.95	-34.71
O=C(NCC1CSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619611	1	30	-1.0	-36.68	277.87	1.96	-34.72
CCC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619612	0	37	-1.0	-56.08	302.22	5.63	-50.45
CCC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619612	1	37	-1.0	-56.08	302.28	5.65	-50.43
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1CO	REAL250004619613	0	36	-1.0	-47.44	291.36	0.26	-47.18
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1CO	REAL250004619613	1	36	-1.0	-47.42	291.42	0.28	-47.14
O=C(N[C@@H]1CCC[C@@H]1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619614	0	36	-1.0	-35.64	300.84	0.08	-35.56
O=C(N[C@@H]1CCC[C@@H]1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619614	1	36	-1.0	-35.64	300.91	0.09	-35.55
COC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619615	0	33	-1.0	-49.68	290.80	-1.79	-51.47
COC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619615	1	33	-1.0	-49.64	290.86	-1.78	-51.42
COC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619616	0	33	-1.0	-39.60	301.40	-2.00	-41.60
COC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619616	1	33	-1.0	-39.55	301.47	-1.99	-41.54
CC(C)C1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004619617	0	40	-1.0	-46.38	330.09	4.90	-41.48
CC(C)C1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004619617	1	40	-1.0	-46.39	330.15	4.91	-41.48
CCO[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619618	0	37	-1.0	-48.12	308.98	0.02	-48.10
CCO[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619618	1	37	-1.0	-48.11	309.04	0.03	-48.08
C[C@H]1[C@H](O)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619619	0	36	-1.0	-59.35	292.68	2.65	-56.70
C[C@H]1[C@H](O)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619619	1	36	-1.0	-59.15	292.75	2.65	-56.50
C[C@H]1[C@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619620	0	33	-1.0	-37.85	279.04	0.45	-37.40
C[C@H]1[C@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619620	1	33	-1.0	-37.83	279.10	0.46	-37.37
NC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619621	0	33	-1.0	-57.89	275.73	0.80	-57.09
NC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619621	1	33	-1.0	-57.93	275.79	0.82	-57.11
NC(=O)[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619622	0	33	-1.0	-46.25	282.34	1.11	-45.14
NC(=O)[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619622	1	33	-1.0	-46.23	282.41	1.12	-45.11
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C2=NC=CN21	REAL250004619623	0	36	-1.0	-58.27	303.37	3.19	-55.08
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C2=NC=CN21	REAL250004619623	1	36	-1.0	-58.27	303.43	3.21	-55.06
CC(C)(O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619624	0	41	-1.0	-49.21	310.96	0.46	-48.75
CC(C)(O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619624	1	41	-1.0	-49.24	311.01	0.48	-48.76
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004619625	0	34	-1.0	-48.69	287.72	-1.53	-50.22
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004619625	1	34	-1.0	-48.69	287.78	-1.51	-50.20
CO[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004619626	0	34	-1.0	-36.60	294.09	-1.28	-37.88
CO[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004619626	1	34	-1.0	-36.66	294.15	-1.28	-37.94
O=C(CCCC1=N[N-]N=N1)NCC1CCCS1(=O)=O	REAL250004619627	0	35	-1.0	-54.14	301.49	-0.33	-54.47
O=C(CCCC1=NN=N[N-]1)NCC1CCCS1(=O)=O	REAL250004619627	1	35	-1.0	-54.14	301.55	-0.32	-54.46
CC(C)(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619628	0	37	-1.0	-45.20	318.31	4.11	-41.09
CC(C)(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619628	1	37	-1.0	-45.16	318.25	4.09	-41.07
CC1(C)CC(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619629	0	42	-1.0	-50.10	311.18	2.03	-48.07
CC1(C)CC(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619629	1	42	-1.0	-50.09	311.24	2.05	-48.04
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CCS1=O	REAL250004619630	0	40	-1.0	-51.46	306.31	2.63	-48.83
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CCS1=O	REAL250004619630	1	40	-1.0	-51.52	306.37	2.65	-48.87
C=CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004619631	0	42	-1.0	-46.75	321.79	5.45	-41.30
C=CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004619631	1	42	-1.0	-46.79	321.84	5.47	-41.32
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004619632	0	39	-1.0	-47.77	313.51	2.42	-45.35
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004619632	1	39	-1.0	-47.78	313.57	2.44	-45.34
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[C@@H]1O	REAL250004619633	0	39	-1.0	-48.64	311.06	0.60	-48.04
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[C@@H]1O	REAL250004619633	1	39	-1.0	-48.70	311.12	0.62	-48.08
COCCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004619634	0	39	-1.0	-44.64	327.89	5.01	-39.63
COCCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004619634	1	39	-1.0	-44.61	327.95	5.02	-39.59
O=C(CCCC1=N[N-]N=N1)NCCC1(CO)CC1	REAL250004619635	0	36	-1.0	-47.80	302.81	-0.07	-47.87
O=C(CCCC1=NN=N[N-]1)NCCC1(CO)CC1	REAL250004619635	1	36	-1.0	-47.84	302.86	-0.05	-47.89
O=C(NCCC1(CO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619636	0	36	-1.0	-36.85	313.40	-0.27	-37.12
O=C(NCCC1(CO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619636	1	36	-1.0	-36.77	313.47	-0.26	-37.03
COC(C(C)NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004619638	0	39	-1.0	-46.50	316.40	2.69	-43.81
COC(C(C)NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004619638	1	39	-1.0	-46.47	316.45	2.71	-43.76
CC(O)CN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004619639	0	35	-1.0	-50.56	293.41	1.74	-48.82
CC(O)CN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004619639	1	35	-1.0	-50.57	293.47	1.75	-48.82
COC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004619640	0	43	-1.0	-46.59	334.12	4.35	-42.24
COC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004619640	1	43	-1.0	-46.63	334.18	4.37	-42.26
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOC1	REAL250004619641	0	39	-1.0	-48.48	316.12	2.03	-46.45
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOC1	REAL250004619641	1	39	-1.0	-48.50	316.18	2.05	-46.45
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619642	0	41	-1.0	-46.30	336.13	4.63	-41.67
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619642	1	41	-1.0	-46.30	336.19	4.64	-41.66
CN(C(=O)CCCC1=N[N-]N=N1)C(CO)CC(C)(C)C	REAL250004619643	0	44	-1.0	-46.07	326.23	2.98	-43.09
CN(C(=O)CCCC1=NN=N[N-]1)C(CO)CC(C)(C)C	REAL250004619643	1	44	-1.0	-46.08	326.29	2.99	-43.09
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619644	0	36	-1.0	-57.06	290.74	2.84	-54.22
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619644	1	36	-1.0	-56.85	290.80	2.87	-53.98
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619645	0	33	-1.0	-37.59	276.86	0.66	-36.93
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619645	1	33	-1.0	-37.55	276.93	0.66	-36.89
CC(C)[C@@H]1C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619646	0	38	-1.0	-46.21	312.56	4.03	-42.18
CC(C)[C@@H]1C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619646	1	38	-1.0	-46.20	312.62	4.04	-42.16
CC(C)[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619647	0	38	-1.0	-34.68	323.16	3.81	-30.87
CC(C)[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619647	1	38	-1.0	-34.64	323.23	3.82	-30.82
O=C(N[C@@H]1COC[C@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619648	0	34	-1.0	-58.11	289.69	-0.46	-58.57
O=C(N[C@@H]1COC[C@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619648	1	34	-1.0	-57.95	289.48	-0.43	-58.38
O=C(N[C@@H]1COC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619649	0	31	-1.0	-37.62	276.30	-3.56	-41.18
O=C(N[C@@H]1COC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619649	1	31	-1.0	-37.57	276.37	-3.55	-41.12
CC(CC1=CN(C)N=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004619650	0	38	-1.0	-51.99	323.63	2.96	-49.03
CC(CC1=CN(C)N=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004619650	1	38	-1.0	-52.01	323.57	2.94	-49.07
O=C(CCCC1=N[N-]N=N1)NCC1CC2=CC=CC=C2O1	REAL250004619651	0	37	-1.0	-48.33	314.69	3.40	-44.93
O=C(CCCC1=NN=N[N-]1)NCC1CC2=CC=CC=C2O1	REAL250004619651	1	37	-1.0	-48.36	314.75	3.42	-44.94
C=CCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619652	0	30	-1.0	-56.15	270.20	5.02	-51.13
C=CCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619652	1	30	-1.0	-55.98	270.27	5.05	-50.93
CC1=CC=C(F)C(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619653	0	38	-1.0	-49.74	327.57	4.95	-44.79
CC1=CC=C(F)C(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619653	1	38	-1.0	-49.76	327.63	4.96	-44.80
CC(CC(N)=O)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619654	0	35	-1.0	-65.50	300.95	1.31	-64.19
CC(CC(N)=O)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619654	1	35	-1.0	-65.31	301.03	1.33	-63.98
CC(CC(N)=O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619655	0	32	-1.0	-45.17	286.80	-1.78	-46.95
CC(CC(N)=O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619655	1	32	-1.0	-45.21	286.87	-1.76	-46.97
CC(C)C1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004619656	0	34	-1.0	-46.42	298.79	2.59	-43.83
CC(C)C1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004619656	1	34	-1.0	-46.40	298.85	2.61	-43.79
O=C(CCCC1=N[N-]N=N1)NCCN1CC2CCC(C1)O2	REAL250004619657	0	42	-1.0	-47.80	328.32	0.48	-47.32
O=C(CCCC1=NN=N[N-]1)NCCN1CC2CCC(C1)O2	REAL250004619657	1	42	-1.0	-47.80	328.38	0.49	-47.31
COCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004619658	0	36	-1.0	-45.81	302.54	0.85	-44.96
COCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004619658	1	36	-1.0	-45.82	302.59	0.87	-44.95
COCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619659	0	36	-1.0	-36.95	313.13	0.66	-36.29
COCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619659	1	36	-1.0	-36.91	313.20	0.68	-36.23
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)OCCC2	REAL250004619660	0	36	-1.0	-55.29	303.00	3.67	-51.62
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)OCCC2	REAL250004619660	1	36	-1.0	-55.31	303.05	3.68	-51.63
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)N1CCO	REAL250004619661	1	44	-1.0	-48.30	328.90	-0.34	-48.64
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)N1CCO	REAL250004619661	1	44	-1.0	-48.31	328.95	-0.32	-48.63
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC=C2CC1	REAL250004619662	0	42	-1.0	-47.10	322.37	7.18	-39.92
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC=C2CC1	REAL250004619662	1	42	-1.0	-47.11	322.42	7.20	-39.91
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCC1	REAL250004619663	0	41	-1.0	-46.10	297.58	5.34	-40.76
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCC1	REAL250004619663	1	41	-1.0	-46.12	297.64	5.35	-40.77
CCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CO1	REAL250004619665	0	34	-1.0	-48.75	297.97	-0.44	-49.19
CCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CO1	REAL250004619665	1	34	-1.0	-48.75	298.03	-0.42	-49.17
CCC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004619666	0	34	-1.0	-38.74	308.56	-0.64	-39.38
CCC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004619666	1	34	-1.0	-38.72	308.63	-0.64	-39.36
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[C@H]1O	REAL250004619667	0	39	-1.0	-48.63	311.06	0.60	-48.03
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[C@H]1O	REAL250004619667	1	39	-1.0	-48.66	311.12	0.62	-48.04
CNC(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619668	0	35	-1.0	-56.97	298.14	-0.11	-57.08
CNC(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619668	1	35	-1.0	-56.94	298.20	-0.10	-57.04
CNC(=O)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619669	0	35	-1.0	-45.43	308.73	-0.30	-45.73
CNC(=O)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619669	1	35	-1.0	-45.47	308.80	-0.29	-45.76
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004619670	0	41	-1.0	-50.05	350.51	4.69	-45.36
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004619670	1	41	-1.0	-50.08	350.56	4.71	-45.37
N#CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619671	0	33	-1.0	-53.02	295.25	4.53	-48.49
N#CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619671	1	33	-1.0	-53.08	295.30	4.55	-48.53
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004619672	0	41	-1.0	-46.26	315.06	4.42	-41.84
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004619672	1	41	-1.0	-46.28	315.11	4.43	-41.85
CC1=CC=CC(Cl)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004619673	0	34	-1.0	-46.05	302.61	4.50	-41.55
CC1=CC=CC(Cl)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004619673	1	34	-1.0	-46.04	302.67	4.51	-41.53
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C(Cl)=C1	REAL250004619674	0	34	-1.0	-48.55	305.70	4.20	-44.35
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C(Cl)=C1	REAL250004619674	1	34	-1.0	-48.52	305.75	4.21	-44.31
CC(C)OC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619676	0	37	-1.0	-45.36	315.31	3.05	-42.31
CC(C)OC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619676	1	37	-1.0	-45.38	315.37	3.07	-42.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC2=N1	REAL250004619677	0	35	-1.0	-55.10	294.81	4.89	-50.21
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC2=N1	REAL250004619677	1	35	-1.0	-55.10	294.87	4.90	-50.20
COCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619678	0	40	-1.0	-48.63	323.19	1.12	-47.51
COCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619678	1	40	-1.0	-48.63	323.25	1.14	-47.49
C=C[C@@H]1OCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619679	0	34	-1.0	-46.60	287.62	1.33	-45.27
C=C[C@@H]1OCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619679	1	34	-1.0	-46.63	287.68	1.35	-45.28
C=C[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619680	0	34	-1.0	-35.10	298.21	1.13	-33.97
C=C[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619680	1	34	-1.0	-35.04	298.28	1.14	-33.90
CCC1(CNC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004619681	0	36	-1.0	-45.76	287.09	1.54	-44.22
CCC1(CNC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004619681	1	36	-1.0	-45.77	287.14	1.56	-44.21
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004619682	0	36	-1.0	-35.71	297.68	1.33	-34.38
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004619682	1	36	-1.0	-35.73	297.75	1.35	-34.38
O=C(CCCC1=N[N-]N=N1)NCC1(CF)CCOCC1	REAL250004619683	0	39	-1.0	-47.19	305.76	2.22	-44.97
O=C(CCCC1=NN=N[N-]1)NCC1(CF)CCOCC1	REAL250004619683	1	39	-1.0	-47.24	305.81	2.24	-45.00
CCC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619684	0	41	-1.0	-46.34	318.63	4.20	-42.14
CCC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619684	1	41	-1.0	-46.39	318.69	4.22	-42.17
CC(CC(C)(C)O)NC(=O)CCCC1=N[N-]N=N1	REAL250004619685	0	38	-1.0	-50.03	306.00	0.83	-49.20
CC(CC(C)(C)O)NC(=O)CCCC1=NN=N[N-]1	REAL250004619685	1	38	-1.0	-49.99	306.06	0.84	-49.15
CC(CC(C)(C)O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619686	0	38	-1.0	-38.55	316.59	0.62	-37.93
CC(CC(C)(C)O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619686	1	38	-1.0	-38.47	316.66	0.63	-37.84
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1(Cl)Cl	REAL250004619687	0	32	-1.0	-45.92	302.52	3.52	-42.40
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1(Cl)Cl	REAL250004619687	1	32	-1.0	-45.92	302.58	3.53	-42.39
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1(F)F	REAL250004619688	0	35	-1.0	-49.53	295.23	3.24	-46.29
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1(F)F	REAL250004619688	1	35	-1.0	-49.54	295.29	3.26	-46.28
CCOC(=O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619689	0	38	-1.0	-53.74	330.99	2.15	-51.59
CCOC(=O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619689	1	38	-1.0	-53.79	331.05	2.17	-51.62
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CC1	REAL250004619690	0	29	-1.0	-48.95	264.51	2.15	-46.80
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CC1	REAL250004619690	1	29	-1.0	-49.00	264.56	2.17	-46.83
O=C(NC1(C(F)(F)F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619691	0	29	-1.0	-36.96	275.10	1.94	-35.02
O=C(NC1(C(F)(F)F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619691	1	29	-1.0	-36.90	275.17	1.95	-34.95
O=C(CCCC1=N[N-]N=N1)N1CC(OCC(F)(F)F)C1	REAL250004619692	0	33	-1.0	-49.87	301.87	2.47	-47.40
O=C(CCCC1=NN=N[N-]1)N1CC(OCC(F)(F)F)C1	REAL250004619692	1	33	-1.0	-49.91	301.92	2.48	-47.43
CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004619693	0	42	-1.0	-47.80	330.86	4.25	-43.55
CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004619693	1	42	-1.0	-47.83	330.92	4.26	-43.57
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004619694	0	43	-1.0	-46.52	327.88	4.79	-41.73
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004619694	1	43	-1.0	-46.48	327.94	4.80	-41.68
CC(F)(F)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619695	0	35	-1.0	-48.32	298.90	5.06	-43.26
CC(F)(F)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619695	1	35	-1.0	-48.32	298.96	5.07	-43.25
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004619696	0	37	-1.0	-48.73	302.23	4.90	-43.83
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004619696	1	37	-1.0	-48.74	302.29	4.92	-43.82
C#CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004619697	0	34	-1.0	-54.01	291.83	6.92	-47.09
C#CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004619697	1	34	-1.0	-53.77	291.92	6.94	-46.83
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004619698	0	31	-1.0	-37.00	273.67	5.18	-31.82
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004619698	1	31	-1.0	-36.95	273.74	5.19	-31.76
C#CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004619699	0	38	-1.0	-48.53	336.22	4.26	-44.27
C#CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004619699	1	38	-1.0	-48.53	336.28	4.27	-44.26
O=C(NOC1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619700	0	33	-1.0	-56.84	283.85	5.92	-50.92
O=C(NOC1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619700	1	33	-1.0	-56.69	283.95	5.92	-50.77
O=C(NOC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619701	0	30	-1.0	-36.37	270.23	2.77	-33.60
O=C(NOC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619701	1	30	-1.0	-36.34	270.30	2.78	-33.56
CC(C)(CO)ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619702	0	36	-1.0	-55.15	303.23	2.85	-52.30
CC(C)(CO)ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619702	1	36	-1.0	-54.92	303.30	2.87	-52.05
CC(C)(CO)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619703	0	33	-1.0	-36.61	289.07	-0.24	-36.85
CC(C)(CO)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619703	1	33	-1.0	-36.61	289.14	-0.24	-36.85
O=C(CCCC1=N[N-]N=N1)N1CC2C3C=CC(O3)C2C1	REAL250004619704	0	36	-1.0	-48.61	291.14	3.11	-45.50
O=C(CCCC1=NN=N[N-]1)N1CC2C3C=CC(O3)C2C1	REAL250004619704	1	36	-1.0	-48.64	291.20	3.13	-45.51
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004619706	0	40	-1.0	-52.73	326.69	3.90	-48.83
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004619706	1	40	-1.0	-52.69	326.63	3.88	-48.81
C#CC(C)(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619707	0	36	-1.0	-54.75	301.38	5.62	-49.13
C#CC(C)(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619707	1	36	-1.0	-54.64	301.45	5.64	-49.00
C#CC(C)(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619708	0	33	-1.0	-35.32	287.50	2.98	-32.34
C#CC(C)(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619708	1	33	-1.0	-35.31	287.57	2.99	-32.32
CC(=O)[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619711	0	37	-1.0	-52.76	294.82	5.31	-47.45
CC(=O)[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619711	1	37	-1.0	-52.78	294.88	5.33	-47.45
O=C(CCCC1=N[N-]N=N1)N1CCN2CCC1C2	REAL250004619712	1	35	-1.0	-46.54	271.60	0.84	-45.70
O=C(CCCC1=NN=N[N-]1)N1CCN2CCC1C2	REAL250004619712	1	35	-1.0	-46.61	271.66	0.86	-45.75
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN2CCC1C2	REAL250004619713	0	38	-1.0	-37.55	294.01	3.41	-34.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN2CCC1C2	REAL250004619713	1	38	-1.0	-37.66	293.92	3.40	-34.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2CCC1C2	REAL250004619714	0	35	-1.0	-34.86	279.02	1.09	-33.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2CCC1C2	REAL250004619714	1	35	-1.0	-34.84	279.09	1.11	-33.73
CC(=O)[C@@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619715	0	37	-1.0	-52.68	295.22	5.34	-47.34
CC(=O)[C@@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619715	1	37	-1.0	-52.71	295.27	5.35	-47.36
O=C(CCCC1=NN=N[N-]1)NCCN1C=NN=C1	REAL250004619717	0	31	-1.0	-57.23	275.75	3.80	-53.43
O=C(CCCC1=N[N-]N=N1)NCCN1C=NN=C1	REAL250004619717	1	31	-1.0	-57.22	275.70	3.78	-53.44
O=C(NCCN1C=NN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619718	0	34	-1.0	-63.23	300.44	6.66	-56.57
O=C(NCCN1C=NN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619718	1	34	-1.0	-63.06	300.51	6.69	-56.37
O=C(NCCN1C=NN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619719	0	31	-1.0	-43.69	286.36	3.59	-40.10
O=C(NCCN1C=NN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619719	1	31	-1.0	-43.71	286.29	3.58	-40.13
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004619720	0	33	-1.0	-48.32	274.90	0.62	-47.70
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004619720	1	33	-1.0	-48.29	274.96	0.63	-47.66
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(=O)N1	REAL250004619721	0	33	-1.0	-40.12	282.30	0.88	-39.24
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(=O)N1	REAL250004619721	1	33	-1.0	-40.08	282.37	0.90	-39.18
O=C(CCCC1=N[N-]N=N1)N1CC(C2CC2)C1C1CC1	REAL250004619722	0	40	-1.0	-46.88	329.25	6.41	-40.47
O=C(CCCC1=NN=N[N-]1)N1CC(C2CC2)C1C1CC1	REAL250004619722	1	40	-1.0	-46.91	329.31	6.42	-40.49
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619723	0	38	-1.0	-49.08	316.94	6.42	-42.66
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619723	1	38	-1.0	-49.13	317.00	6.44	-42.69
CC(C)=CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619724	0	41	-1.0	-46.73	334.14	5.01	-41.72
CC(C)=CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619724	1	41	-1.0	-46.73	334.19	5.02	-41.71
CN1C=C(Cl)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619725	0	32	-1.0	-49.85	298.53	1.67	-48.18
CN1C=C(Cl)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619725	1	32	-1.0	-49.86	298.59	1.68	-48.18
O=C(NC[C@H]1CCCO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619726	0	36	-1.0	-52.76	300.65	3.63	-49.13
O=C(NC[C@H]1CCCO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619726	1	36	-1.0	-53.02	301.13	3.61	-49.41
O=C(NC[C@H]1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619727	0	33	-1.0	-36.82	286.90	0.50	-36.32
O=C(NC[C@H]1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619727	1	33	-1.0	-36.82	286.97	0.52	-36.30
CC1=C(CCNC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004619728	0	34	-1.0	-50.13	304.56	2.00	-48.13
CC1=C(CCNC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004619728	1	34	-1.0	-50.11	304.61	2.01	-48.10
COC(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619729	0	38	-1.0	-54.54	318.64	3.94	-50.60
COC(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619729	1	38	-1.0	-54.34	318.70	3.96	-50.38
COC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619730	0	35	-1.0	-36.45	304.48	0.85	-35.60
COC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619730	1	35	-1.0	-36.42	304.55	0.87	-35.55
CC(C)C1CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004619731	0	45	-1.0	-47.33	351.26	3.59	-43.74
CC(C)C1CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004619731	1	45	-1.0	-47.35	351.32	3.61	-43.74
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619732	0	38	-1.0	-52.38	317.85	6.38	-46.00
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619732	1	38	-1.0	-52.27	318.33	6.37	-45.90
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619733	0	35	-1.0	-34.74	304.09	3.27	-31.47
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619733	1	35	-1.0	-34.69	304.16	3.27	-31.42
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004619734	0	39	-1.0	-47.54	304.45	3.51	-44.03
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004619734	1	39	-1.0	-47.55	304.50	3.52	-44.03
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004619735	0	42	-1.0	-47.40	323.57	4.10	-43.30
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004619735	1	42	-1.0	-47.45	323.63	4.12	-43.33
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C(F)F)C1	REAL250004619736	0	33	-1.0	-52.47	287.01	0.40	-52.07
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C(F)F)C1	REAL250004619736	1	33	-1.0	-52.47	287.07	0.41	-52.06
O=C(CCCC1=N[N-]N=N1)N1CC2CC1C(=O)O2	REAL250004619737	0	30	-1.0	-57.03	260.90	2.75	-54.28
O=C(CCCC1=NN=N[N-]1)N1CC2CC1C(=O)O2	REAL250004619737	1	30	-1.0	-57.08	260.95	2.76	-54.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1C(=O)O2	REAL250004619738	0	30	-1.0	-42.95	268.13	2.82	-40.13
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1C(=O)O2	REAL250004619738	1	30	-1.0	-42.89	268.20	2.82	-40.07
O=C(NNC1=CC=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619739	0	29	-1.0	-37.46	272.63	1.87	-35.59
O=C(NNC1=CC=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619739	1	29	-1.0	-37.43	272.69	1.88	-35.55
CO[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619740	0	36	-1.0	-48.94	296.07	1.64	-47.30
CO[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619740	1	36	-1.0	-48.98	296.13	1.66	-47.32
CO[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619741	0	36	-1.0	-36.50	306.95	1.38	-35.12
CO[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619741	1	36	-1.0	-36.45	307.02	1.38	-35.07
O=C(CCCC1=N[N-]N=N1)NCC1=NN(CC(F)F)C=C1	REAL250004619742	0	35	-1.0	-50.20	316.48	2.32	-47.88
O=C(CCCC1=NN=N[N-]1)NCC1=NN(CC(F)F)C=C1	REAL250004619742	1	35	-1.0	-50.25	316.54	2.33	-47.92
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[C@H](F)C1	REAL250004619743	0	32	-1.0	-53.96	267.99	5.35	-48.61
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[C@H](F)C1	REAL250004619743	1	32	-1.0	-53.30	268.69	5.36	-47.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@H](F)C1	REAL250004619744	0	29	-1.0	-35.47	256.69	3.13	-32.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@H](F)C1	REAL250004619744	1	29	-1.0	-35.46	256.76	3.13	-32.33
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C1C=CC2CC1	REAL250004619745	0	41	-1.0	-46.76	312.60	5.78	-40.98
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C1C=CC2CC1	REAL250004619745	1	41	-1.0	-46.79	312.66	5.79	-41.00
CC(N(C)C(=O)CCCC1=N[N-]N=N1)C(C)(C)O	REAL250004619746	0	38	-1.0	-46.82	293.87	2.17	-44.65
CC(N(C)C(=O)CCCC1=NN=N[N-]1)C(C)(C)O	REAL250004619746	1	38	-1.0	-46.86	293.92	2.18	-44.68
CC(N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)O	REAL250004619747	0	38	-1.0	-37.61	302.54	2.38	-35.23
CC(N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)O	REAL250004619747	1	38	-1.0	-37.56	302.60	2.41	-35.15
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004619748	0	38	-1.0	-45.21	293.92	4.14	-41.07
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004619748	1	38	-1.0	-45.26	293.98	4.16	-41.10
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004619749	0	38	-1.0	-35.00	305.12	3.95	-31.05
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004619749	1	38	-1.0	-35.00	305.19	3.97	-31.03
O=C(CCCC1=N[N-]N=N1)NC1CC12CCOCC2	REAL250004619750	0	37	-1.0	-47.21	300.63	2.23	-44.98
O=C(CCCC1=NN=N[N-]1)NC1CC12CCOCC2	REAL250004619750	1	37	-1.0	-47.24	300.69	2.24	-45.00
O=C(CCCC1=N[N-]N=N1)NCC1CCOC2(CCC2)C1	REAL250004619751	0	43	-1.0	-47.51	338.03	3.38	-44.13
O=C(CCCC1=NN=N[N-]1)NCC1CCOC2(CCC2)C1	REAL250004619751	1	43	-1.0	-47.52	338.09	3.39	-44.13
CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619752	0	32	-1.0	-45.66	290.95	3.24	-42.42
CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619752	1	32	-1.0	-45.63	291.01	3.26	-42.37
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004619753	0	37	-1.0	-48.60	305.90	2.19	-46.41
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004619753	1	37	-1.0	-48.63	305.96	2.20	-46.43
CC1C(O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619754	0	36	-1.0	-49.32	280.15	1.09	-48.23
CC1C(O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619754	1	36	-1.0	-49.31	280.21	1.10	-48.21
CC1C(O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619755	0	36	-1.0	-38.00	287.79	1.36	-36.64
CC1C(O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619755	1	36	-1.0	-37.99	287.87	1.37	-36.62
CCC(C)C(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004619756	0	41	-1.0	-46.85	327.33	2.36	-44.49
CCC(C)C(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004619756	1	41	-1.0	-46.82	327.39	2.37	-44.45
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004619757	0	41	-1.0	-46.29	307.12	5.00	-41.29
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004619757	1	41	-1.0	-46.32	307.18	5.02	-41.30
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(N)=O)=C1	REAL250004619758	0	36	-1.0	-52.29	309.21	0.80	-51.49
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(N)=O)=C1	REAL250004619758	1	36	-1.0	-52.29	309.26	0.81	-51.48
O=C(CCCC1=N[N-]N=N1)N1CCSCC1C1CC1	REAL250004619759	0	37	-1.0	-44.94	303.26	5.34	-39.60
O=C(CCCC1=NN=N[N-]1)N1CCSCC1C1CC1	REAL250004619759	1	37	-1.0	-44.97	303.32	5.35	-39.62
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004619760	0	38	-1.0	-46.77	293.63	3.96	-42.81
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004619760	1	38	-1.0	-46.76	293.69	3.97	-42.79
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004619761	0	38	-1.0	-35.66	306.77	3.81	-31.85
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004619761	1	38	-1.0	-35.63	306.84	3.82	-31.81
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1COC1	REAL250004619762	0	36	-1.0	-53.52	286.87	4.16	-49.36
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1COC1	REAL250004619762	1	36	-1.0	-53.37	286.96	4.18	-49.19
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1COC1	REAL250004619763	0	33	-1.0	-36.60	273.31	2.45	-34.15
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1COC1	REAL250004619763	1	33	-1.0	-36.58	273.38	2.46	-34.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCC2=O	REAL250004619764	0	35	-1.0	-50.78	299.97	4.38	-46.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCC2=O	REAL250004619764	1	35	-1.0	-50.80	300.02	4.40	-46.40
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004619765	0	34	-1.0	-46.89	295.57	2.32	-44.57
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004619765	1	34	-1.0	-46.88	295.63	2.33	-44.55
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL250004619766	0	34	-1.0	-36.74	306.16	2.10	-34.64
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL250004619766	1	34	-1.0	-36.72	306.23	2.11	-34.61
C[C@H]1COCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619770	0	36	-1.0	-51.10	284.31	4.33	-46.77
C[C@H]1COCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619770	1	36	-1.0	-51.59	284.69	4.36	-47.23
C[C@H]1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619771	0	33	-1.0	-34.87	270.83	2.00	-32.87
C[C@H]1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619771	1	33	-1.0	-34.79	270.90	2.00	-32.79
CCN(C)C(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004619772	0	44	-1.0	-46.00	341.98	3.10	-42.90
CCN(C)C(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004619772	1	44	-1.0	-45.95	342.04	3.11	-42.84
CCC(C)(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004619773	0	38	-1.0	-45.55	300.57	1.47	-44.08
CCC(C)(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004619773	1	38	-1.0	-45.51	300.63	1.48	-44.03
CCC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004619774	0	38	-1.0	-35.57	311.16	1.26	-34.31
CCC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004619774	1	38	-1.0	-35.55	311.22	1.27	-34.28
C=C(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619775	0	35	-1.0	-52.95	299.84	5.33	-47.62
C=C(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619775	1	35	-1.0	-52.73	299.91	5.35	-47.38
C=C(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619776	0	32	-1.0	-34.99	285.69	2.24	-32.75
C=C(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619776	1	32	-1.0	-34.98	285.76	2.25	-32.73
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	REAL250004619777	0	33	-1.0	-57.13	284.83	-0.34	-57.47
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	REAL250004619777	1	33	-1.0	-57.12	284.89	-0.33	-57.45
CC1(CO)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004619778	0	36	-1.0	-54.98	299.19	2.49	-52.49
CC1(CO)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004619778	1	36	-1.0	-54.81	298.60	2.57	-52.24
CC1(CO)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619779	0	33	-1.0	-39.32	286.13	0.02	-39.30
CC1(CO)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619779	1	33	-1.0	-39.30	286.20	0.03	-39.27
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NNN=C21	REAL250004619780	0	31	-1.0	-47.02	272.43	0.63	-46.39
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NNN=C21	REAL250004619780	1	31	-1.0	-47.02	272.49	0.65	-46.37
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004619781	0	33	-1.0	-50.46	285.39	0.85	-49.61
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004619781	1	33	-1.0	-50.48	285.45	0.87	-49.61
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619782	0	33	-1.0	-41.78	295.99	0.66	-41.12
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619782	1	33	-1.0	-41.72	296.05	0.66	-41.06
CN1N=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004619783	0	33	-1.0	-48.02	284.39	2.72	-45.30
CN1N=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004619783	1	33	-1.0	-48.03	284.45	2.74	-45.29
CN1N=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004619784	0	33	-1.0	-37.70	291.52	2.85	-34.85
CN1N=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004619784	1	33	-1.0	-37.64	291.58	2.85	-34.79
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2NC=NC2=C1	REAL250004619785	0	35	-1.0	-52.43	304.77	3.12	-49.31
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2NC=NC2=C1	REAL250004619785	1	35	-1.0	-52.42	304.83	3.14	-49.28
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2N=CNC2=C1	REAL250004619785	1	35	-1.0	-51.08	304.79	3.12	-47.96
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2N=CNC2=C1	REAL250004619785	1	35	-1.0	-51.07	304.85	3.13	-47.94
O=C(CCCC1=N[N-]N=N1)NC1CC2=CN=CN2C1	REAL250004619786	0	33	-1.0	-50.61	281.90	3.18	-47.43
O=C(CCCC1=NN=N[N-]1)NC1CC2=CN=CN2C1	REAL250004619786	1	33	-1.0	-50.65	281.96	3.20	-47.45
O=C(NC1CC2=CN=CN2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619787	0	33	-1.0	-38.50	292.50	2.98	-35.52
O=C(NC1CC2=CN=CN2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619787	1	33	-1.0	-38.44	292.56	2.98	-35.46
O=C(NN1C=CN=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619788	0	28	-1.0	-48.04	251.74	2.53	-45.51
O=C(NN1C=CN=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619788	1	28	-1.0	-47.84	251.84	2.53	-45.31
O=C(NN1C=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619789	0	25	-1.0	-35.36	238.01	-0.57	-35.93
O=C(NN1C=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619789	1	25	-1.0	-35.28	238.08	-0.57	-35.85
O=C(CCCC1=N[N-]N=N1)N1CC(C2CS(=O)(=O)C2)C1	REAL250004619791	0	36	-1.0	-56.80	315.73	0.68	-56.12
O=C(CCCC1=NN=N[N-]1)N1CC(C2CS(=O)(=O)C2)C1	REAL250004619791	1	36	-1.0	-56.82	315.79	0.69	-56.13
CC(C)OC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619792	0	39	-1.0	-52.43	322.40	4.22	-48.21
CC(C)OC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619792	1	39	-1.0	-52.43	322.46	4.22	-48.21
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H](F)[C@@H](F)C1	REAL250004619793	0	32	-1.0	-41.71	276.27	5.45	-36.26
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H](F)[C@@H](F)C1	REAL250004619793	1	32	-1.0	-50.51	276.52	5.40	-45.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](F)[C@@H](F)C1	REAL250004619794	0	29	-1.0	-35.77	262.00	3.25	-32.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](F)[C@@H](F)C1	REAL250004619794	1	29	-1.0	-35.73	262.07	3.25	-32.48
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[C@@H](F)C1	REAL250004619795	0	32	-1.0	-56.64	269.87	5.37	-51.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[C@@H](F)C1	REAL250004619795	1	32	-1.0	-56.39	269.76	5.39	-51.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](F)C1	REAL250004619796	0	29	-1.0	-35.51	256.72	3.14	-32.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](F)C1	REAL250004619796	1	29	-1.0	-35.46	256.78	3.14	-32.32
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004619797	0	35	-1.0	-52.78	290.28	5.58	-47.20
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004619797	1	35	-1.0	-52.59	290.38	5.59	-47.00
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004619798	0	32	-1.0	-35.15	280.16	2.52	-32.63
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004619798	1	32	-1.0	-35.18	280.22	2.54	-32.64
CC(C)OCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004619799	0	41	-1.0	-49.50	334.57	4.13	-45.37
CC(C)OCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004619799	1	41	-1.0	-49.54	334.62	4.15	-45.39
CN1N=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619800	0	31	-1.0	-48.52	275.95	-0.33	-48.85
CN1N=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619800	1	31	-1.0	-48.55	276.01	-0.32	-48.87
CN1N=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004619801	0	34	-1.0	-52.99	300.27	2.59	-50.40
CN1N=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004619801	1	34	-1.0	-52.80	300.37	2.60	-50.20
CN1N=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004619802	0	31	-1.0	-38.72	286.54	-0.55	-39.27
CN1N=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004619802	1	31	-1.0	-38.71	286.61	-0.54	-39.25
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC1C1CC1	REAL250004619803	0	36	-1.0	-41.19	299.44	6.74	-34.45
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC1C1CC1	REAL250004619803	1	36	-1.0	-41.06	299.44	6.74	-34.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C1CC1	REAL250004619804	0	33	-1.0	-37.93	287.38	4.16	-33.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C1CC1	REAL250004619804	1	33	-1.0	-37.90	287.44	4.16	-33.74
CC(CCCCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004619805	0	38	-1.0	-48.32	314.85	0.46	-47.86
CC(CCCCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004619805	1	38	-1.0	-48.32	314.90	0.47	-47.85
CC(CCCCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619806	0	38	-1.0	-37.11	325.44	0.24	-36.87
CC(CCCCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619806	1	38	-1.0	-37.08	325.51	0.27	-36.81
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCC1O	REAL250004619807	0	43	-1.0	-49.97	327.03	3.29	-46.68
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCC1O	REAL250004619807	1	43	-1.0	-49.97	327.08	3.30	-46.67
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=CC=CC=C2)C1	REAL250004619808	0	42	-1.0	-48.49	333.94	7.03	-41.46
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=CC=CC=C2)C1	REAL250004619808	1	42	-1.0	-48.53	334.00	7.04	-41.49
CC(C)OC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004619809	0	43	-1.0	-44.64	343.75	4.27	-40.37
CC(C)OC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004619809	1	43	-1.0	-44.67	343.81	4.28	-40.39
CC(C)CC1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619810	0	44	-1.0	-48.28	325.60	6.47	-41.81
CC(C)CC1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619810	1	44	-1.0	-48.31	325.66	6.48	-41.83
CN(C)C(=O)OC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619811	0	40	-1.0	-50.76	332.47	3.00	-47.76
CN(C)C(=O)OC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619811	1	40	-1.0	-50.80	332.53	3.01	-47.79
CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004619812	0	35	-1.0	-52.69	291.07	5.37	-47.32
CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004619812	1	35	-1.0	-52.55	291.14	5.37	-47.18
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004619813	0	32	-1.0	-35.70	281.85	2.58	-33.12
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004619813	1	32	-1.0	-35.68	281.92	2.58	-33.10
CCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004619814	0	36	-1.0	-52.92	304.05	1.58	-51.34
CCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004619814	1	36	-1.0	-52.88	304.11	1.60	-51.28
O=C(CCCC1=N[N-]N=N1)NC(C(CO)C1CC1)C1CC1	REAL250004619815	0	43	-1.0	-46.14	333.32	2.84	-43.30
O=C(CCCC1=NN=N[N-]1)NC(C(CO)C1CC1)C1CC1	REAL250004619815	1	43	-1.0	-46.13	333.38	2.85	-43.28
CC(C)C(CO)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004619816	0	47	-1.0	-46.58	347.51	2.50	-44.08
CC(C)C(CO)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004619816	1	47	-1.0	-46.57	347.57	2.52	-44.05
CC1=CC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619817	0	34	-1.0	-47.08	291.55	2.22	-44.86
CC1=CC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619817	1	34	-1.0	-47.10	291.61	2.23	-44.87
CC1=CC=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619818	0	34	-1.0	-36.70	302.10	2.25	-34.45
CC1=CC=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619818	1	34	-1.0	-36.69	302.17	2.25	-34.44
COCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619819	0	39	-1.0	-46.71	316.56	3.09	-43.62
COCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619819	1	39	-1.0	-46.74	316.62	3.11	-43.63
CC1=CC(Cl)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004619820	0	35	-1.0	-45.52	306.15	5.19	-40.33
CC1=CC(Cl)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004619820	1	35	-1.0	-45.55	306.20	5.20	-40.35
CS(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619821	0	34	-1.0	-59.16	305.49	1.94	-57.22
CS(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619821	1	34	-1.0	-59.23	305.55	1.96	-57.27
CC1=NN(C)C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C12	REAL250004619822	0	38	-1.0	-53.38	324.07	3.88	-49.50
CC1=NN(C)C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C12	REAL250004619822	1	38	-1.0	-53.38	324.12	3.89	-49.49
CCN(CC(C)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004619823	0	38	-1.0	-45.26	308.88	3.39	-41.87
CCN(CC(C)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004619823	1	38	-1.0	-45.26	308.94	3.41	-41.85
CCN(CC(C)OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619824	0	38	-1.0	-38.27	315.16	4.35	-33.92
CCN(CC(C)OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619824	1	38	-1.0	-38.21	315.23	4.37	-33.84
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C(F)F	REAL250004619825	0	35	-1.0	-48.16	305.40	4.58	-43.58
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C(F)F	REAL250004619825	1	35	-1.0	-48.15	305.46	4.59	-43.56
CCCC(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619826	0	44	-1.0	-49.65	359.44	1.70	-47.95
CCCC(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619826	1	44	-1.0	-49.68	359.50	1.71	-47.97
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=CN=C12	REAL250004619827	0	33	-1.0	-59.13	282.39	2.46	-56.67
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=CN=C12	REAL250004619827	1	33	-1.0	-59.18	282.44	2.47	-56.71
O=C(NC1CCN2C=CN=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619828	0	33	-1.0	-45.48	292.69	2.23	-43.25
O=C(NC1CCN2C=CN=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619828	1	33	-1.0	-45.44	292.76	2.25	-43.19
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)C=C1	REAL250004619829	0	31	-1.0	-49.73	276.62	-0.77	-50.50
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)C=C1	REAL250004619829	1	31	-1.0	-49.79	276.68	-0.75	-50.54
O=C(NCC1=NNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619830	0	31	-1.0	-42.15	287.22	-0.97	-43.12
O=C(NCC1=NNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619830	1	31	-1.0	-42.16	287.28	-0.97	-43.13
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CC2)=N1	REAL250004619831	0	35	-1.0	-54.84	299.03	5.06	-49.78
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CC2)=N1	REAL250004619831	1	35	-1.0	-54.82	299.08	5.08	-49.74
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C2=CC=CC=C21	REAL250004619832	0	37	-1.0	-46.29	303.53	2.65	-43.64
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C2=CC=CC=C21	REAL250004619832	1	37	-1.0	-46.34	303.58	2.66	-43.68
CC1=C(C2CC2)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004619833	0	35	-1.0	-46.12	311.01	4.56	-41.56
CC1=C(C2CC2)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004619833	1	35	-1.0	-46.15	311.06	4.58	-41.57
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2=CNN=C2C1	REAL250004619834	0	33	-1.0	-43.01	280.04	3.85	-39.16
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2=CNN=C2C1	REAL250004619834	1	33	-1.0	-42.86	280.16	3.85	-39.01
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CNN=C2C1	REAL250004619835	0	30	-1.0	-39.90	268.23	1.61	-38.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CNN=C2C1	REAL250004619835	1	30	-1.0	-39.85	268.29	1.61	-38.24
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CC(=O)C=C2NN1	REAL250004619836	0	33	-1.0	-58.35	289.00	2.37	-55.98
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CC(=O)C=C2NN1	REAL250004619836	1	33	-1.0	-58.38	289.05	2.38	-56.00
CC(C)C1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004619837	0	38	-1.0	-54.02	306.46	5.90	-48.12
CC(C)C1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004619837	1	38	-1.0	-53.29	306.96	5.96	-47.33
CC(C)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004619838	0	35	-1.0	-35.55	296.31	3.08	-32.47
CC(C)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004619838	1	35	-1.0	-35.54	296.38	3.08	-32.46
O=C(NCC=CC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619839	0	36	-1.0	-52.05	310.04	6.36	-45.69
O=C(NCC=CC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619839	1	36	-1.0	-51.85	310.14	6.39	-45.46
O=C(NCC=CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619840	0	33	-1.0	-34.88	296.26	3.25	-31.63
O=C(NCC=CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619840	1	33	-1.0	-34.89	296.33	3.26	-31.63
C=CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004619841	0	39	-1.0	-48.72	331.71	5.34	-43.38
C=CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004619841	1	39	-1.0	-48.71	331.76	5.35	-43.36
COC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004619842	0	39	-1.0	-45.76	306.86	2.02	-43.74
COC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004619842	1	39	-1.0	-45.81	306.92	2.03	-43.78
CC(F)(F)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619843	0	31	-1.0	-50.02	277.73	4.34	-45.68
CC(F)(F)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619843	1	31	-1.0	-49.84	277.79	4.37	-45.47
CC(F)(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619844	0	28	-1.0	-36.63	263.57	1.25	-35.38
CC(F)(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619844	1	28	-1.0	-36.67	263.64	1.26	-35.41
CCC1=NOC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004619845	0	37	-1.0	-50.37	314.28	4.69	-45.68
CCC1=NOC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004619845	1	37	-1.0	-50.33	314.34	4.71	-45.62
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004619846	0	40	-1.0	-45.81	315.31	0.79	-45.02
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004619846	1	40	-1.0	-45.76	315.36	0.81	-44.95
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC1CC2	REAL250004619847	0	39	-1.0	-46.56	299.32	4.23	-42.33
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC1CC2	REAL250004619847	1	39	-1.0	-46.60	299.38	4.24	-42.36
O=C(NC1CC2CCC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619848	0	39	-1.0	-35.03	309.89	4.04	-30.99
O=C(NC1CC2CCC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619848	1	39	-1.0	-35.00	309.96	4.04	-30.96
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(F)=C1F	REAL250004619849	0	29	-1.0	-44.25	271.63	3.60	-40.65
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(F)=C1F	REAL250004619849	1	29	-1.0	-44.21	271.68	3.61	-40.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OCCF	REAL250004619850	0	36	-1.0	-50.12	309.44	3.85	-46.27
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OCCF	REAL250004619850	1	36	-1.0	-50.14	309.50	3.87	-46.27
O=C(CCCC1=N[N-]N=N1)N1CCN2C[C@@H](F)C[C@H]2C1	REAL250004619852	0	38	-1.0	-47.43	302.80	2.31	-45.12
O=C(CCCC1=NN=N[N-]1)N1CCN2C[C@@H](F)C[C@H]2C1	REAL250004619852	1	38	-1.0	-47.45	302.85	2.32	-45.13
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCC2)CC1	REAL250004619853	0	42	-1.0	-46.39	314.75	5.73	-40.66
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCC2)CC1	REAL250004619853	1	42	-1.0	-46.43	314.81	5.75	-40.68
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCC1	REAL250004619854	0	39	-1.0	-45.96	316.69	1.13	-44.83
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCC1	REAL250004619854	1	39	-1.0	-45.97	316.74	1.15	-44.82
CC1=NC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004619855	0	36	-1.0	-46.80	309.72	2.48	-44.32
CC1=NC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004619855	1	36	-1.0	-46.79	309.78	2.50	-44.29
CCC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004619856	0	38	-1.0	-56.39	306.35	6.36	-50.03
CCC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004619856	1	38	-1.0	-56.05	305.73	6.45	-49.60
CCC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619857	0	35	-1.0	-37.20	293.60	3.87	-33.33
CCC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619857	1	35	-1.0	-37.14	293.67	3.87	-33.27
CCCCC(C)N(CCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004619858	0	49	-1.0	-46.79	374.73	7.97	-38.82
CCCCC(C)N(CCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004619858	1	49	-1.0	-46.78	374.78	7.99	-38.79
O=C(CCCC1=N[N-]N=N1)NCCC1=NN=CN1	REAL250004619859	0	31	-1.0	-58.99	274.58	1.66	-57.33
O=C(CCCC1=NN=N[N-]1)NCCC1=NN=CN1	REAL250004619859	1	31	-1.0	-59.00	274.63	1.68	-57.32
O=C(NCCC1=NN=CN1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619860	0	34	-1.0	-65.90	298.92	4.58	-61.32
O=C(NCCC1=NN=CN1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619860	1	34	-1.0	-65.12	299.40	4.56	-60.56
O=C(NCCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619861	0	31	-1.0	-44.96	285.17	1.46	-43.50
O=C(NCCC1=NN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619861	1	31	-1.0	-44.92	285.24	1.47	-43.45
O=C(NC1CC(=O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619862	0	31	-1.0	-55.59	273.06	3.89	-51.70
O=C(NC1CC(=O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619862	1	31	-1.0	-55.49	273.54	3.88	-51.61
O=C(NC1CC(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619863	0	28	-1.0	-37.54	259.37	0.78	-36.76
O=C(NC1CC(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619863	1	28	-1.0	-37.50	259.44	0.79	-36.71
CCNC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619864	0	37	-1.0	-51.02	316.32	-1.70	-52.72
CCNC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619864	1	37	-1.0	-50.99	316.38	-1.69	-52.68
O=C(CCCC1=N[N-]N=N1)NCC1=COC2=CC=CC=C12	REAL250004619865	0	35	-1.0	-48.05	307.00	3.84	-44.21
O=C(CCCC1=NN=N[N-]1)NCC1=COC2=CC=CC=C12	REAL250004619865	1	35	-1.0	-48.05	307.06	3.85	-44.20
CN1C=NN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004619866	0	37	-1.0	-55.21	317.63	4.06	-51.15
CN1C=NN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004619866	1	37	-1.0	-55.23	317.69	4.08	-51.15
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NOC=N1	REAL250004619867	0	34	-1.0	-53.93	291.74	0.96	-52.97
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NOC=N1	REAL250004619867	1	34	-1.0	-53.97	291.80	0.97	-53.00
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN2CCOC1C2	REAL250004619869	0	42	-1.0	-48.74	307.09	0.48	-48.26
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN2CCOC1C2	REAL250004619869	1	42	-1.0	-48.75	307.14	0.50	-48.25
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)F	REAL250004619870	0	34	-1.0	-49.59	296.77	5.34	-44.25
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)F	REAL250004619870	1	34	-1.0	-49.41	296.84	5.36	-44.05
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004619871	0	31	-1.0	-34.09	282.50	2.26	-31.83
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004619871	1	31	-1.0	-34.06	282.56	2.28	-31.78
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004619872	0	35	-1.0	-54.68	306.42	-1.02	-55.70
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004619872	1	35	-1.0	-54.67	306.48	-1.01	-55.68
CN(C(=O)CCCC1=N[N-]N=N1)C(CO)C1=CC=CC=C1	REAL250004619873	0	39	-1.0	-47.60	315.97	3.43	-44.17
CN(C(=O)CCCC1=NN=N[N-]1)C(CO)C1=CC=CC=C1	REAL250004619873	1	39	-1.0	-47.62	316.03	3.44	-44.18
CC(C)C(CO)ONC(=O)CCCC1=N[N-]N=N1	REAL250004619874	0	36	-1.0	-53.85	301.56	0.58	-53.27
CC(C)C(CO)ONC(=O)CCCC1=NN=N[N-]1	REAL250004619874	1	36	-1.0	-53.86	301.62	0.59	-53.27
CC(C)C(CO)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619875	0	36	-1.0	-38.91	312.05	0.35	-38.56
CC(C)C(CO)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619875	1	36	-1.0	-38.89	312.12	0.36	-38.53
O=C(CCCC1=N[N-]N=N1)NCC1CC(F)(F)C1	REAL250004619876	0	32	-1.0	-47.42	280.66	2.69	-44.73
O=C(CCCC1=NN=N[N-]1)NCC1CC(F)(F)C1	REAL250004619876	1	32	-1.0	-47.40	280.72	2.71	-44.69
O=C(NCC1CC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619877	0	32	-1.0	-36.53	291.26	2.49	-34.04
O=C(NCC1CC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619877	1	32	-1.0	-36.53	291.32	2.50	-34.03
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL250004619878	0	35	-1.0	-52.10	292.69	0.97	-51.13
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL250004619878	1	35	-1.0	-51.93	292.75	0.99	-50.94
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004619879	0	32	-1.0	-43.14	286.01	-1.73	-44.87
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004619879	1	32	-1.0	-43.10	286.08	-1.72	-44.82
O=C(CCCC1=N[N-]N=N1)N1CC2(CCCO2)C1C1CC1	REAL250004619880	0	41	-1.0	-52.78	328.90	4.82	-47.96
O=C(CCCC1=NN=N[N-]1)N1CC2(CCCO2)C1C1CC1	REAL250004619880	1	41	-1.0	-52.82	328.96	4.83	-47.99
CC(C)OCCONC(=O)CCCC1=N[N-]N=N1	REAL250004619881	0	36	-1.0	-53.40	308.30	2.57	-50.83
CC(C)OCCONC(=O)CCCC1=NN=N[N-]1	REAL250004619881	1	36	-1.0	-53.43	308.36	2.58	-50.85
CC(C)OCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619882	0	36	-1.0	-38.71	318.89	2.37	-36.34
CC(C)OCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619882	1	36	-1.0	-38.69	318.96	2.37	-36.32
CC1(C)CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619883	0	41	-1.0	-46.26	318.21	4.04	-42.22
CC1(C)CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619883	1	41	-1.0	-46.29	318.27	4.05	-42.24
O=C(NCCCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619884	0	34	-1.0	-54.92	293.51	5.02	-49.90
O=C(NCCCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619884	1	34	-1.0	-54.70	293.58	5.05	-49.65
O=C(NCCCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619885	0	31	-1.0	-36.42	279.35	1.94	-34.48
O=C(NCCCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619885	1	31	-1.0	-36.37	279.42	1.95	-34.42
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004619886	0	42	-1.0	-47.09	337.63	2.76	-44.33
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004619886	1	42	-1.0	-47.14	337.69	2.77	-44.37
COC1=CC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619887	0	35	-1.0	-48.65	302.76	1.05	-47.60
COC1=CC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619887	1	35	-1.0	-48.66	302.82	1.06	-47.60
CC(CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004619888	0	38	-1.0	-48.13	309.39	-0.19	-48.32
CC(CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004619888	1	38	-1.0	-48.17	309.45	-0.18	-48.35
CC(CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619889	0	38	-1.0	-37.05	319.98	-0.40	-37.45
CC(CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619889	1	38	-1.0	-37.08	320.05	-0.39	-37.47
CC1(F)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619890	0	35	-1.0	-50.46	282.90	4.23	-46.23
CC1(F)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619890	1	35	-1.0	-50.48	282.96	4.24	-46.24
CC1(F)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619891	0	35	-1.0	-37.89	290.62	4.48	-33.41
CC1(F)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619891	1	35	-1.0	-37.92	290.68	4.49	-33.43
COC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619892	0	35	-1.0	-54.67	294.74	4.26	-50.41
COC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619892	1	35	-1.0	-54.65	294.80	4.28	-50.37
COC1COCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619893	0	40	-1.0	-48.58	323.93	0.54	-48.04
COC1COCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619893	1	40	-1.0	-48.64	323.99	0.55	-48.09
CC1(C)CC(C)(NC(=O)CCCC2=N[N-]N=N2)C(=O)O1	REAL250004619894	0	38	-1.0	-59.54	309.93	3.64	-55.90
CC1(C)CC(C)(NC(=O)CCCC2=NN=N[N-]2)C(=O)O1	REAL250004619894	1	38	-1.0	-59.53	309.99	3.65	-55.88
CCC1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619895	1	40	-1.0	-45.87	306.28	2.28	-43.59
CCC1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619895	1	40	-1.0	-45.90	306.34	2.30	-43.60
O=C(CCCC1=N[N-]N=N1)NC12CCC(F)(CC1)CC2	REAL250004619896	0	39	-1.0	-47.20	301.32	3.98	-43.22
O=C(CCCC1=NN=N[N-]1)NC12CCC(F)(CC1)CC2	REAL250004619896	1	39	-1.0	-47.22	301.38	3.99	-43.23
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=C(F)C=C1	REAL250004619897	0	36	-1.0	-46.22	311.81	1.20	-45.02
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=C(F)C=C1	REAL250004619897	1	36	-1.0	-46.23	311.86	1.22	-45.01
O=C(CCCC1=N[N-]N=N1)N(C1CC1)C1COC1	REAL250004619898	0	34	-1.0	-47.67	266.00	1.95	-45.72
O=C(CCCC1=NN=N[N-]1)N(C1CC1)C1COC1	REAL250004619898	1	34	-1.0	-47.73	266.05	1.96	-45.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(C1CC1)C1COC1	REAL250004619899	0	34	-1.0	-37.97	272.82	2.91	-35.06
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(C1CC1)C1COC1	REAL250004619899	1	34	-1.0	-37.93	272.88	2.93	-35.00
CC[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL250004619900	0	35	-1.0	-51.94	292.28	1.00	-50.94
CC[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL250004619900	1	35	-1.0	-51.92	292.76	0.99	-50.93
CC[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004619901	0	32	-1.0	-40.74	278.53	-2.13	-42.87
CC[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004619901	1	32	-1.0	-40.74	278.60	-2.13	-42.87
CCCC(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004619902	0	38	-1.0	-46.74	313.47	1.95	-44.79
CCCC(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004619902	1	38	-1.0	-46.79	313.53	1.96	-44.83
CCCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004619903	0	38	-1.0	-35.52	324.07	1.74	-33.78
CCCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004619903	1	38	-1.0	-35.50	324.14	1.74	-33.76
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1(F)F	REAL250004619904	0	38	-1.0	-48.25	308.50	4.16	-44.09
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1(F)F	REAL250004619904	1	38	-1.0	-48.25	308.56	4.18	-44.07
CN(CC(C)(C)C#N)C(=O)CCCC1=N[N-]N=N1	REAL250004619905	0	35	-1.0	-49.14	285.71	4.05	-45.09
CN(CC(C)(C)C#N)C(=O)CCCC1=NN=N[N-]1	REAL250004619905	1	35	-1.0	-49.15	285.77	4.06	-45.09
CN(CC(C)(C)C#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619906	0	38	-1.0	-39.79	307.19	6.69	-33.10
CN(CC(C)(C)C#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619906	1	38	-1.0	-39.66	307.30	6.71	-32.95
CN(CC(C)(C)C#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619907	0	35	-1.0	-36.91	293.83	4.43	-32.48
CN(CC(C)(C)C#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619907	1	35	-1.0	-36.87	293.90	4.44	-32.43
COCC1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619908	0	36	-1.0	-58.64	297.27	4.53	-54.11
COCC1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619908	1	36	-1.0	-58.44	297.27	4.55	-53.89
COCC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619909	0	33	-1.0	-39.96	287.60	2.15	-37.81
COCC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619909	1	33	-1.0	-39.91	287.67	2.15	-37.76
CC(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004619910	0	37	-1.0	-50.01	315.83	1.97	-48.04
CC(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004619910	1	37	-1.0	-50.02	315.88	1.98	-48.04
CSCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619911	0	39	-1.0	-47.60	320.34	5.33	-42.27
CSCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619911	1	39	-1.0	-47.60	320.40	5.34	-42.26
CC[C@H](O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619912	0	35	-1.0	-51.65	296.73	1.67	-49.98
CC[C@H](O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619912	1	35	-1.0	-51.45	296.83	1.67	-49.78
CC[C@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619913	0	32	-1.0	-36.26	283.00	-1.48	-37.74
CC[C@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619913	1	32	-1.0	-36.27	283.07	-1.47	-37.74
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(=O)NC=C1	REAL250004619914	0	35	-1.0	-58.08	301.99	1.13	-56.95
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(=O)NC=C1	REAL250004619914	1	35	-1.0	-58.10	302.05	1.15	-56.95
CC1=CC=CC=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619915	0	41	-1.0	-45.25	317.57	5.66	-39.59
CC1=CC=CC=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619915	1	41	-1.0	-45.26	317.62	5.67	-39.59
CN1N=CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004619917	0	38	-1.0	-49.32	328.48	3.46	-45.86
CN1N=CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004619917	1	38	-1.0	-49.29	328.43	3.44	-45.85
COCCC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619918	0	40	-1.0	-49.51	314.89	1.50	-48.01
COCCC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619918	1	40	-1.0	-49.54	314.95	1.51	-48.03
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004619919	0	36	-1.0	-47.09	300.01	1.72	-45.37
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004619919	1	36	-1.0	-47.09	300.07	1.74	-45.35
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004619920	0	36	-1.0	-35.47	311.08	1.87	-33.60
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004619920	1	36	-1.0	-35.42	311.15	1.87	-33.55
O=C(CCCC1=N[N-]N=N1)NC1CCN(O)C1=O	REAL250004619921	0	31	-1.0	-58.87	272.79	-1.64	-60.51
O=C(CCCC1=NN=N[N-]1)NC1CCN(O)C1=O	REAL250004619921	1	31	-1.0	-58.85	272.85	-1.63	-60.48
O=C(NC1CCN(O)C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619922	0	31	-1.0	-44.31	283.39	-1.85	-46.16
O=C(NC1CCN(O)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619922	1	31	-1.0	-44.29	283.45	-1.85	-46.14
CC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619923	0	37	-1.0	-52.39	319.60	3.86	-48.53
CC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619923	1	37	-1.0	-52.40	319.66	3.88	-48.52
C=C=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619924	0	30	-1.0	-52.81	270.91	4.61	-48.20
C=C=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619924	1	30	-1.0	-52.66	270.98	4.63	-48.03
CCNC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004619925	0	41	-1.0	-46.49	328.81	1.21	-45.28
CCNC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004619925	1	41	-1.0	-46.51	328.87	1.23	-45.28
CCN(CC(C)=O)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619926	0	36	-1.0	-61.31	298.96	6.14	-55.17
CCN(CC(C)=O)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619926	1	36	-1.0	-60.13	299.08	6.21	-53.92
CCN(CC(C)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619927	0	33	-1.0	-40.89	285.56	4.27	-36.62
CCN(CC(C)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619927	1	33	-1.0	-40.88	285.63	4.27	-36.61
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CC=N2)C1	REAL250004619928	0	39	-1.0	-50.09	320.69	5.47	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CC=N2)C1	REAL250004619928	1	39	-1.0	-50.11	320.75	5.48	-44.63
CCC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004619929	0	34	-1.0	-50.71	296.55	1.40	-49.31
CCC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004619929	1	34	-1.0	-50.69	296.61	1.42	-49.27
CCC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004619930	0	34	-1.0	-41.46	307.14	1.20	-40.26
CCC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004619930	1	34	-1.0	-41.45	307.21	1.20	-40.25
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)N1	REAL250004619931	0	35	-1.0	-50.24	305.50	2.29	-47.95
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)N1	REAL250004619931	1	35	-1.0	-50.28	305.55	2.31	-47.97
CSCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004619932	0	42	-1.0	-48.53	344.97	4.90	-43.63
CSCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004619932	1	42	-1.0	-48.56	345.03	4.92	-43.64
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004619933	0	41	-1.0	-48.64	329.26	7.31	-41.33
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004619933	1	41	-1.0	-48.66	329.32	7.32	-41.34
CCC1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619934	0	35	-1.0	-56.71	284.07	5.94	-50.77
CCC1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619934	1	35	-1.0	-56.49	284.17	5.94	-50.55
CCC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619935	0	32	-1.0	-37.30	270.66	3.38	-33.92
CCC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619935	1	32	-1.0	-37.29	270.73	3.38	-33.91
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=N1	REAL250004619936	0	32	-1.0	-58.09	288.69	2.55	-55.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=N1	REAL250004619936	1	32	-1.0	-58.05	288.63	2.54	-55.51
CCC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004619937	0	37	-1.0	-47.27	318.60	0.38	-46.89
CCC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004619937	1	37	-1.0	-47.26	318.66	0.39	-46.87
CC1(C)CCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619938	0	42	-1.0	-47.43	324.66	1.23	-46.20
CC1(C)CCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619938	1	42	-1.0	-47.45	324.72	1.24	-46.21
CCC1(CC)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619939	0	38	-1.0	-47.69	304.29	4.55	-43.14
CCC1(CC)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619939	1	38	-1.0	-47.69	304.35	4.57	-43.12
CCC1(CC)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619940	0	38	-1.0	-36.89	312.29	4.47	-32.42
CCC1(CC)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619940	1	38	-1.0	-36.87	312.36	4.48	-32.39
COC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004619941	0	39	-1.0	-47.00	301.49	3.10	-43.90
COC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004619941	1	39	-1.0	-46.98	301.54	3.11	-43.87
CC(C)(CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004619942	0	41	-1.0	-46.31	319.60	4.14	-42.17
CC(C)(CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004619942	1	41	-1.0	-46.34	319.66	4.16	-42.18
CC(C)C1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619943	0	45	-1.0	-46.94	330.54	2.59	-44.35
CC(C)C1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619943	1	45	-1.0	-46.92	330.60	2.61	-44.31
O=C(NOCC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619944	0	33	-1.0	-56.26	288.59	6.05	-50.21
O=C(NOCC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619944	1	33	-1.0	-56.04	288.69	6.07	-49.97
O=C(NOCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619945	0	30	-1.0	-36.23	274.81	2.94	-33.29
O=C(NOCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619945	1	30	-1.0	-36.25	274.88	2.94	-33.31
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(F)C(CO)C1	REAL250004619946	0	36	-1.0	-48.47	296.76	1.10	-47.37
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(F)C(CO)C1	REAL250004619946	1	36	-1.0	-48.48	296.82	1.12	-47.36
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(O)(CO)C1	REAL250004619947	0	34	-1.0	-60.24	289.46	-0.73	-60.97
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(O)(CO)C1	REAL250004619947	1	34	-1.0	-59.95	288.98	-0.73	-60.68
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)(CO)C1	REAL250004619948	0	31	-1.0	-41.48	277.13	-3.27	-44.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)(CO)C1	REAL250004619948	1	31	-1.0	-41.46	277.20	-3.26	-44.72
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=NC=C21	REAL250004619949	0	33	-1.0	-51.71	275.93	2.45	-49.26
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=NC=C21	REAL250004619949	1	33	-1.0	-51.72	275.99	2.46	-49.26
CC(C)(C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619950	0	43	-1.0	-46.22	317.24	3.80	-42.42
CC(C)(C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619950	1	43	-1.0	-46.24	317.30	3.81	-42.43
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(O)C=CC=C21	REAL250004619951	0	37	-1.0	-49.85	312.97	1.87	-47.98
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(O)C=CC=C21	REAL250004619951	1	37	-1.0	-49.82	313.03	1.88	-47.94
C=CCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004619952	0	38	-1.0	-45.98	305.71	3.79	-42.19
C=CCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004619952	1	38	-1.0	-45.97	305.77	3.81	-42.16
C=CCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619953	0	38	-1.0	-34.71	316.31	3.58	-31.13
C=CCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619953	1	38	-1.0	-34.72	316.37	3.60	-31.12
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C(N)=O	REAL250004619954	0	35	-1.0	-48.46	279.46	-0.14	-48.60
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)C(N)=O	REAL250004619954	1	35	-1.0	-48.50	279.52	-0.12	-48.62
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C(N)=O	REAL250004619955	0	35	-1.0	-36.43	288.07	0.33	-36.10
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C(N)=O	REAL250004619955	1	35	-1.0	-36.43	288.14	0.34	-36.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCCN1	REAL250004619956	0	35	-1.0	-53.80	283.93	4.19	-49.61
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCCN1	REAL250004619956	1	35	-1.0	-53.66	284.00	4.21	-49.45
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCCN1	REAL250004619957	0	32	-1.0	-39.12	270.18	0.94	-38.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCCN1	REAL250004619957	1	32	-1.0	-39.12	270.25	0.94	-38.18
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC(N)=N1	REAL250004619958	0	35	-1.0	-49.69	303.78	0.32	-49.37
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC(N)=N1	REAL250004619958	1	35	-1.0	-49.68	303.84	0.33	-49.35
COCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619959	0	34	-1.0	-50.54	291.75	-1.06	-51.60
COCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619959	1	34	-1.0	-50.53	291.80	-1.04	-51.57
COCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619960	0	34	-1.0	-40.10	299.38	-0.96	-41.06
COCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619960	1	34	-1.0	-40.04	299.44	-0.94	-40.98
C=CCN(CCC#N)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619961	0	36	-1.0	-53.35	310.62	7.01	-46.34
C=CCN(CCC#N)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619961	1	36	-1.0	-54.45	310.82	7.07	-47.38
C=CCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619962	0	33	-1.0	-39.02	298.01	5.22	-33.80
C=CCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619962	1	33	-1.0	-39.01	298.08	5.22	-33.79
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CC2CCC1C2	REAL250004619963	0	43	-1.0	-47.17	330.47	1.74	-45.43
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CC2CCC1C2	REAL250004619963	1	43	-1.0	-47.16	330.52	1.76	-45.40
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004619964	0	40	-1.0	-47.01	338.51	0.95	-46.06
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004619964	1	40	-1.0	-47.04	338.57	0.96	-46.08
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC=CN1	REAL250004619965	0	35	-1.0	-52.07	302.36	4.01	-48.06
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC=CN1	REAL250004619965	1	35	-1.0	-51.87	302.84	3.99	-47.88
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004619966	0	32	-1.0	-39.85	288.61	0.88	-38.97
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004619966	1	32	-1.0	-39.82	288.67	0.89	-38.93
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)OC=C1	REAL250004619967	0	35	-1.0	-47.26	294.88	4.34	-42.92
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)OC=C1	REAL250004619967	1	35	-1.0	-47.25	294.94	4.36	-42.89
CC1=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL250004619968	0	35	-1.0	-39.29	301.36	4.62	-34.67
CC1=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL250004619968	1	35	-1.0	-39.30	301.43	4.63	-34.67
O=C(CCCC1=N[N-]N=N1)N1CCOCC(C2CCC2)C1	REAL250004619969	0	43	-1.0	-49.81	331.57	4.81	-45.00
O=C(CCCC1=NN=N[N-]1)N1CCOCC(C2CCC2)C1	REAL250004619969	1	43	-1.0	-49.78	331.63	4.82	-44.96
CC1(C)C(O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619970	0	36	-1.0	-49.59	287.14	1.03	-48.56
CC1(C)C(O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619970	1	36	-1.0	-49.63	287.20	1.04	-48.59
CC1(C)C(O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619971	0	36	-1.0	-38.57	294.35	1.26	-37.31
CC1(C)C(O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619971	1	36	-1.0	-38.54	294.42	1.27	-37.27
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCCO2	REAL250004619972	0	41	-1.0	-48.22	313.93	3.09	-45.13
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCCO2	REAL250004619972	1	41	-1.0	-48.24	313.99	3.10	-45.14
CC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004619973	0	34	-1.0	-48.11	295.54	2.30	-45.81
CC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004619973	1	34	-1.0	-48.12	295.60	2.31	-45.81
CC1=CC=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004619974	0	34	-1.0	-37.79	306.14	2.09	-35.70
CC1=CC=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004619974	1	34	-1.0	-37.73	306.20	2.09	-35.64
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004619975	0	35	-1.0	-49.02	309.80	4.79	-44.23
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004619975	1	35	-1.0	-49.01	309.86	4.80	-44.21
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004619976	0	42	-1.0	-47.16	323.28	4.80	-42.36
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004619976	1	42	-1.0	-47.22	323.33	4.82	-42.40
CCN(CC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004619977	0	40	-1.0	-46.48	306.38	5.33	-41.15
CCN(CC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004619977	1	40	-1.0	-46.47	306.44	5.34	-41.13
CCN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619978	0	40	-1.0	-35.68	313.25	6.03	-29.65
CCN(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619978	1	40	-1.0	-35.61	313.31	6.04	-29.57
O=C(NOCCC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619979	0	36	-1.0	-55.60	310.00	6.84	-48.76
O=C(NOCCC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619979	1	36	-1.0	-55.43	310.48	6.84	-48.59
O=C(NOCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619980	0	33	-1.0	-35.87	296.25	3.72	-32.15
O=C(NOCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619980	1	33	-1.0	-35.83	296.32	3.73	-32.10
CCOC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004619981	0	42	-1.0	-45.31	330.42	3.00	-42.31
CCOC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004619981	1	42	-1.0	-45.31	330.48	3.02	-42.29
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CC=N1	REAL250004619982	0	35	-1.0	-47.83	303.67	-0.57	-48.40
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CC=N1	REAL250004619982	1	35	-1.0	-47.81	303.73	-0.56	-48.37
O=C(CCCC1=N[N-]N=N1)NC(CCO)C(F)F	REAL250004619984	0	32	-1.0	-45.83	283.44	-0.92	-46.75
O=C(CCCC1=NN=N[N-]1)NC(CCO)C(F)F	REAL250004619984	1	32	-1.0	-45.85	283.50	-0.90	-46.75
O=C(NC(CCO)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619985	0	32	-1.0	-35.69	293.92	-1.09	-36.78
O=C(NC(CCO)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619985	1	32	-1.0	-35.69	293.99	-1.07	-36.76
CC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004619986	0	36	-1.0	-50.60	293.10	4.14	-46.46
CC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004619986	1	36	-1.0	-50.63	293.16	4.16	-46.47
CC(=O)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004619987	0	36	-1.0	-40.45	300.81	4.73	-35.72
CC(=O)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004619987	1	36	-1.0	-40.39	300.88	4.74	-35.65
CN1C(Cl)=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619988	0	32	-1.0	-46.66	296.03	2.19	-44.47
CN1C(Cl)=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619988	1	32	-1.0	-46.67	296.09	2.20	-44.47
CC(C)N1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004619989	0	37	-1.0	-50.94	316.15	1.35	-49.59
CC(C)N1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004619989	1	37	-1.0	-50.97	316.20	1.36	-49.61
CC1=CC=CC=C1CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004619990	0	41	-1.0	-49.69	334.05	6.83	-42.86
CC1=CC=CC=C1CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004619990	1	41	-1.0	-49.69	334.11	6.85	-42.84
CCC=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619991	0	35	-1.0	-52.15	299.50	5.53	-46.62
CCC=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619991	1	35	-1.0	-51.95	299.56	5.55	-46.40
CCC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619992	0	32	-1.0	-34.88	285.34	2.43	-32.45
CCC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619992	1	32	-1.0	-34.84	285.41	2.44	-32.40
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)CCCC2	REAL250004619993	0	38	-1.0	-52.99	312.00	5.53	-47.46
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)CCCC2	REAL250004619993	1	38	-1.0	-53.03	312.06	5.54	-47.49
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1(CO)CCC1	REAL250004619994	0	45	-1.0	-47.64	338.57	1.81	-45.83
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1(CO)CCC1	REAL250004619994	1	45	-1.0	-47.67	338.63	1.83	-45.84
C[C@@H](O)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619996	0	35	-1.0	-54.38	287.74	3.57	-50.81
C[C@@H](O)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619996	1	35	-1.0	-54.22	287.83	3.59	-50.63
C[C@@H](O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619997	0	32	-1.0	-37.10	274.33	0.95	-36.15
C[C@@H](O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619997	1	32	-1.0	-37.09	274.40	0.96	-36.13
CON(CC1CC2CCC1C2)C(=O)CCCC1=N[N-]N=N1	REAL250004619998	0	43	-1.0	-44.94	335.66	5.99	-38.95
CON(CC1CC2CCC1C2)C(=O)CCCC1=NN=N[N-]1	REAL250004619998	1	43	-1.0	-44.93	335.72	6.01	-38.92
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL250004619999	0	42	-1.0	-47.05	345.79	6.41	-40.64
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL250004619999	1	42	-1.0	-47.06	345.84	6.42	-40.64
CC(F)(F)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620000	0	34	-1.0	-47.37	294.79	2.92	-44.45
CC(F)(F)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620000	1	34	-1.0	-47.40	294.84	2.94	-44.46
CC(F)(F)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620001	0	34	-1.0	-37.51	305.38	2.72	-34.79
CC(F)(F)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620001	1	34	-1.0	-37.50	305.45	2.73	-34.77
CCOC(=O)C(F)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620002	0	38	-1.0	-53.70	327.07	4.30	-49.40
CCOC(=O)C(F)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620002	1	38	-1.0	-53.72	327.13	4.32	-49.40
CC(C)(CO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004620003	0	38	-1.0	-49.06	305.25	-0.31	-49.37
CC(C)(CO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004620003	1	38	-1.0	-49.08	305.31	-0.29	-49.37
CC(C)(CO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620004	0	38	-1.0	-36.81	315.84	-0.51	-37.32
CC(C)(CO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620004	1	38	-1.0	-36.79	315.91	-0.50	-37.29
CC(CCCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620005	0	38	-1.0	-47.93	310.70	0.04	-47.89
CC(CCCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620005	1	38	-1.0	-47.92	310.76	0.05	-47.87
CC(CCCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620006	0	38	-1.0	-37.05	321.29	-0.17	-37.22
CC(CCCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620006	1	38	-1.0	-37.05	321.36	-0.16	-37.21
O=C(CCCC1=N[N-]N=N1)NC1CCCSC1	REAL250004620007	0	33	-1.0	-49.34	281.70	2.86	-46.48
O=C(CCCC1=NN=N[N-]1)NC1CCCSC1	REAL250004620007	1	33	-1.0	-49.35	281.76	2.88	-46.47
O=C(NC1CCCSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620008	0	33	-1.0	-36.42	292.29	2.66	-33.76
O=C(NC1CCCSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620008	1	33	-1.0	-36.41	292.36	2.68	-33.73
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004620009	0	34	-1.0	-48.32	285.50	0.93	-47.39
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004620009	1	34	-1.0	-48.36	285.56	0.94	-47.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004620010	0	34	-1.0	-37.61	292.73	1.18	-36.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004620010	1	34	-1.0	-37.19	292.75	1.21	-35.98
CCOC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004620011	0	36	-1.0	-54.51	302.34	4.52	-49.99
CCOC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004620011	1	36	-1.0	-53.77	303.04	4.48	-49.29
CCOC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620012	0	33	-1.0	-36.26	290.27	1.93	-34.33
CCOC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620012	1	33	-1.0	-36.22	290.34	1.94	-34.28
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1CC1	REAL250004620013	0	33	-1.0	-46.78	287.44	1.48	-45.30
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1CC1	REAL250004620013	1	33	-1.0	-46.78	287.49	1.49	-45.29
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)C1CC1	REAL250004620015	0	42	-1.0	-47.38	349.63	6.29	-41.09
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)C1CC1	REAL250004620015	1	42	-1.0	-47.36	349.69	6.30	-41.06
CCOC1=NC=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004620016	0	38	-1.0	-46.75	322.79	1.78	-44.97
CCOC1=NC=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004620016	1	38	-1.0	-46.74	322.73	1.76	-44.98
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCCO1	REAL250004620017	0	37	-1.0	-48.28	310.44	1.31	-46.97
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCCO1	REAL250004620017	1	37	-1.0	-48.28	310.50	1.32	-46.96
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOCC1	REAL250004620018	0	42	-1.0	-47.99	334.00	2.81	-45.18
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOCC1	REAL250004620018	1	42	-1.0	-48.09	334.06	2.83	-45.26
CC1(F)CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004620019	0	35	-1.0	-56.62	297.90	5.50	-51.12
CC1(F)CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004620019	1	35	-1.0	-56.57	298.37	5.49	-51.08
CC1(F)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620020	0	32	-1.0	-35.51	282.91	2.33	-33.18
CC1(F)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620020	1	32	-1.0	-35.47	282.98	2.33	-33.14
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1	REAL250004620021	0	38	-1.0	-47.65	294.75	6.22	-41.43
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1	REAL250004620021	1	38	-1.0	-47.67	294.81	6.24	-41.43
O=C(CCCC1=N[N-]N=N1)NC1CCCN(O)C1=O	REAL250004620022	0	34	-1.0	-57.19	286.51	0.13	-57.06
O=C(CCCC1=NN=N[N-]1)NC1CCCN(O)C1=O	REAL250004620022	1	34	-1.0	-57.17	286.57	0.14	-57.03
CC(CO)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620023	0	36	-1.0	-49.11	295.25	-3.71	-52.82
CC(CO)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620023	1	36	-1.0	-49.13	295.31	-3.70	-52.83
CC(CO)(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620024	0	36	-1.0	-37.39	305.85	-3.92	-41.31
CC(CO)(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620024	1	36	-1.0	-37.37	305.92	-3.91	-41.28
O=C(CCCC1=N[N-]N=N1)NC1=C(O)C=CC=C1Cl	REAL250004620026	0	30	-1.0	-51.09	284.30	1.30	-49.79
O=C(CCCC1=NN=N[N-]1)NC1=C(O)C=CC=C1Cl	REAL250004620026	1	30	-1.0	-51.08	284.36	1.31	-49.77
O=C(CCCC1=N[N-]N=N1)N1CCOC(F)(F)C1	REAL250004620027	0	30	-1.0	-49.12	259.90	1.44	-47.68
O=C(CCCC1=NN=N[N-]1)N1CCOC(F)(F)C1	REAL250004620027	1	30	-1.0	-49.10	259.96	1.45	-47.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(F)(F)C1	REAL250004620028	0	30	-1.0	-36.00	267.41	1.67	-34.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(F)(F)C1	REAL250004620028	1	30	-1.0	-35.99	267.48	1.68	-34.31
CC(C)ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620029	0	32	-1.0	-56.21	278.25	5.21	-51.00
CC(C)ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620029	1	32	-1.0	-56.02	278.32	5.23	-50.79
CC1(C)OCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004620030	0	36	-1.0	-45.63	290.71	1.77	-43.86
CC1(C)OCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004620030	1	36	-1.0	-45.60	290.77	1.78	-43.82
CC1(C)OCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620031	0	36	-1.0	-34.97	301.25	1.60	-33.37
CC1(C)OCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620031	1	36	-1.0	-34.97	301.31	1.60	-33.37
CC1=CC=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004620032	0	35	-1.0	-47.34	300.10	5.46	-41.88
CC1=CC=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004620032	1	35	-1.0	-47.31	300.16	5.47	-41.84
CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)NC2=C1	REAL250004620032	1	35	-1.0	-47.44	300.11	5.46	-41.98
CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)NC2=C1	REAL250004620032	1	35	-1.0	-47.53	300.17	5.47	-42.06
CCOC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004620033	0	38	-1.0	-47.62	321.28	3.20	-44.42
CCOC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004620033	1	38	-1.0	-47.60	321.34	3.21	-44.39
COC[C@@H](C(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620034	0	36	-1.0	-49.83	298.38	-1.30	-51.13
COC[C@@H](C(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620034	1	36	-1.0	-49.82	298.44	-1.29	-51.11
CCCCN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004620035	0	47	-1.0	-46.41	355.61	7.48	-38.93
CCCCN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004620035	1	47	-1.0	-46.41	355.67	7.49	-38.92
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)CCC2	REAL250004620036	0	35	-1.0	-53.34	294.73	4.96	-48.38
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)CCC2	REAL250004620036	1	35	-1.0	-53.37	294.78	4.97	-48.40
CC1CCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620037	0	39	-1.0	-47.50	310.97	0.96	-46.54
CC1CCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620037	1	39	-1.0	-47.52	311.02	0.97	-46.55
CC1=NC=CN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004620038	0	36	-1.0	-51.98	307.56	1.05	-50.93
CC1=NC=CN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004620038	1	36	-1.0	-51.99	307.61	1.07	-50.92
CCC(CO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620039	0	35	-1.0	-36.81	289.01	1.59	-35.22
CCC(CO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620039	1	35	-1.0	-36.77	289.07	1.61	-35.16
O=C(CCCC1=N[N-]N=N1)N1CC2=CN=CN=C2C1	REAL250004620040	0	31	-1.0	-47.09	271.36	3.02	-44.07
O=C(CCCC1=NN=N[N-]1)N1CC2=CN=CN=C2C1	REAL250004620040	1	31	-1.0	-47.09	271.42	3.03	-44.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CN=CN=C2C1	REAL250004620041	0	31	-1.0	-37.35	278.44	3.15	-34.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CN=CN=C2C1	REAL250004620041	1	31	-1.0	-37.32	278.51	3.15	-34.17
CC1=NOC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004620042	0	31	-1.0	-47.36	275.57	1.47	-45.89
CC1=NOC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004620042	1	31	-1.0	-47.38	275.63	1.48	-45.90
CC1=NOC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620043	0	34	-1.0	-51.63	300.27	4.39	-47.24
CC1=NOC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620043	1	34	-1.0	-51.47	300.37	4.41	-47.06
CC1=NOC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620044	0	31	-1.0	-37.73	286.49	1.28	-36.45
CC1=NOC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620044	1	31	-1.0	-37.70	286.56	1.28	-36.42
COCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620045	0	36	-1.0	-48.07	307.37	0.44	-47.63
COCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620045	1	36	-1.0	-48.08	307.43	0.45	-47.63
COCOCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620046	0	36	-1.0	-36.89	317.97	0.23	-36.66
COCOCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620046	1	36	-1.0	-36.85	318.03	0.24	-36.61
CCN1C=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004620047	0	35	-1.0	-48.97	300.83	2.69	-46.28
CCN1C=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004620047	1	35	-1.0	-48.95	300.89	2.70	-46.25
CCN1C=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620048	0	35	-1.0	-39.05	310.81	2.60	-36.45
CCN1C=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620048	1	35	-1.0	-39.04	310.88	2.60	-36.44
C#CC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620049	0	31	-1.0	-55.31	280.60	1.39	-53.92
C#CC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620049	1	31	-1.0	-55.09	280.67	1.41	-53.68
C#CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620050	0	28	-1.0	-38.72	266.45	-1.72	-40.44
C#CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620050	1	28	-1.0	-38.71	266.52	-1.70	-40.41
C=CCCC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004620051	0	41	-1.0	-54.34	340.15	5.77	-48.57
C=CCCC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004620051	1	41	-1.0	-54.33	340.22	5.79	-48.54
CCN1C=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620052	0	38	-1.0	-46.74	318.88	3.40	-43.34
CCN1C=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620052	1	38	-1.0	-46.78	318.93	3.41	-43.37
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004620053	0	38	-1.0	-46.65	309.73	4.66	-41.99
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004620053	1	38	-1.0	-46.65	309.78	4.67	-41.98
CCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004620054	0	35	-1.0	-52.49	295.39	0.66	-51.83
CCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004620054	1	35	-1.0	-52.53	295.45	0.68	-51.85
CCCN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620055	0	35	-1.0	-42.10	302.68	1.17	-40.93
CCCN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620055	1	35	-1.0	-42.07	302.75	1.17	-40.90
CC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004620056	0	31	-1.0	-55.96	273.01	4.12	-51.84
CC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004620056	1	31	-1.0	-55.97	273.07	4.13	-51.84
CC1=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1C	REAL250004620057	0	34	-1.0	-60.69	296.43	7.17	-53.52
CC1=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1C	REAL250004620057	1	34	-1.0	-60.53	296.92	7.15	-53.38
CC1=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004620058	0	31	-1.0	-43.81	282.72	3.88	-39.93
CC1=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004620058	1	31	-1.0	-43.79	282.79	3.90	-39.89
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)OC1=O	REAL250004620059	0	38	-1.0	-51.42	311.90	4.27	-47.15
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)OC1=O	REAL250004620059	1	38	-1.0	-51.40	311.96	4.28	-47.12
O=C(CCCC1=N[N-]N=N1)NNC1=NC=NC=C1F	REAL250004620060	0	29	-1.0	-46.81	267.67	2.16	-44.65
O=C(CCCC1=NN=N[N-]1)NNC1=NC=NC=C1F	REAL250004620060	1	29	-1.0	-46.86	267.72	2.18	-44.68
CCOC(=O)C(CC)(CC)NC(=O)CCCC1=N[N-]N=N1	REAL250004620061	0	43	-1.0	-44.54	341.44	4.76	-39.78
CCOC(=O)C(CC)(CC)NC(=O)CCCC1=NN=N[N-]1	REAL250004620061	1	43	-1.0	-44.52	341.50	4.77	-39.75
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN2C=CN=C12	REAL250004620063	0	35	-1.0	-51.70	304.34	4.50	-47.20
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN2C=CN=C12	REAL250004620063	1	35	-1.0	-51.76	304.40	4.52	-47.24
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCCC2	REAL250004620064	0	39	-1.0	-48.10	308.44	5.16	-42.94
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCCC2	REAL250004620064	1	39	-1.0	-48.08	308.50	5.18	-42.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCCC2	REAL250004620065	0	39	-1.0	-36.87	316.52	5.11	-31.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCCC2	REAL250004620065	1	39	-1.0	-36.87	316.59	5.12	-31.75
CN1N=CC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004620066	0	37	-1.0	-50.64	318.94	1.19	-49.45
CN1N=CC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004620066	1	37	-1.0	-50.62	319.00	1.20	-49.42
NS(=O)(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620067	0	36	-1.0	-59.58	318.89	-2.98	-62.56
NS(=O)(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620067	1	36	-1.0	-59.58	318.95	-2.97	-62.55
CC(C)(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620068	0	41	-1.0	-46.59	319.98	4.14	-42.45
CC(C)(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620068	1	41	-1.0	-46.65	320.04	4.16	-42.49
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCCCC2)C1	REAL250004620069	0	42	-1.0	-47.33	330.38	5.86	-41.47
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCCCC2)C1	REAL250004620069	1	42	-1.0	-47.34	330.44	5.88	-41.46
CN(CC1=C(F)C=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004620070	0	35	-1.0	-49.66	300.55	5.55	-44.11
CN(CC1=C(F)C=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004620070	1	35	-1.0	-49.71	300.61	5.57	-44.14
N#CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004620071	0	30	-1.0	-65.60	267.21	4.96	-60.64
N#CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004620071	1	30	-1.0	-65.38	267.31	4.98	-60.40
N#CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620072	0	27	-1.0	-45.58	255.41	2.43	-43.15
N#CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620072	1	27	-1.0	-45.56	255.48	2.45	-43.11
CCC(C)CONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620073	0	38	-1.0	-55.97	317.12	6.55	-49.42
CCC(C)CONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620073	1	38	-1.0	-55.76	317.20	6.57	-49.19
CCC(C)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620074	0	35	-1.0	-35.98	302.97	3.45	-32.53
CCC(C)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620074	1	35	-1.0	-35.96	303.04	3.46	-32.50
CSC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620075	0	33	-1.0	-48.50	287.32	3.97	-44.53
CSC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620075	1	33	-1.0	-48.50	287.38	3.98	-44.52
CSC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620076	0	33	-1.0	-35.52	294.26	4.14	-31.38
CSC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620076	1	33	-1.0	-35.50	294.33	4.15	-31.35
O=C(CCCC1=N[N-]N=N1)N1CC2C3CCC(C3)C2C1	REAL250004620079	0	40	-1.0	-46.79	300.15	5.28	-41.51
O=C(CCCC1=NN=N[N-]1)N1CC2C3CCC(C3)C2C1	REAL250004620079	1	40	-1.0	-46.83	300.21	5.29	-41.54
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1C	REAL250004620080	0	35	-1.0	-57.78	287.08	5.93	-51.85
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1C	REAL250004620080	1	35	-1.0	-57.12	287.70	5.95	-51.17
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004620081	0	32	-1.0	-37.82	275.31	3.40	-34.42
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004620081	1	32	-1.0	-37.81	275.38	3.41	-34.40
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CCCCC1	REAL250004620082	0	45	-1.0	-47.05	344.20	2.25	-44.80
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CCCCC1	REAL250004620082	1	45	-1.0	-47.04	344.26	2.26	-44.78
CCC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004620083	0	44	-1.0	-46.70	329.61	4.71	-41.99
CCC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004620083	1	44	-1.0	-46.71	329.67	4.71	-42.00
CN(CC(C)(C)CO)C(=O)CCCC1=N[N-]N=N1	REAL250004620084	0	38	-1.0	-49.13	295.77	1.24	-47.89
CN(CC(C)(C)CO)C(=O)CCCC1=NN=N[N-]1	REAL250004620084	1	38	-1.0	-49.16	295.83	1.25	-47.91
CN(CC(C)(C)CO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620085	0	38	-1.0	-37.85	303.90	1.63	-36.22
CN(CC(C)(C)CO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620085	1	38	-1.0	-37.83	303.96	1.64	-36.19
CCOC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620086	0	42	-1.0	-46.89	323.38	4.05	-42.84
CCOC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620086	1	42	-1.0	-46.87	323.44	4.06	-42.81
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004620087	0	42	-1.0	-48.49	330.25	5.99	-42.50
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004620087	1	42	-1.0	-48.52	330.30	6.00	-42.52
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(C2CC2)C1	REAL250004620088	0	36	-1.0	-55.40	300.42	6.68	-48.72
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(C2CC2)C1	REAL250004620088	1	36	-1.0	-55.37	300.51	6.69	-48.68
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2CC2)C1	REAL250004620089	0	33	-1.0	-36.44	288.05	4.29	-32.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2CC2)C1	REAL250004620089	1	33	-1.0	-36.41	288.11	4.31	-32.10
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CCC2)=C1	REAL250004620090	0	39	-1.0	-48.96	318.74	5.95	-43.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CCC2)=C1	REAL250004620090	1	39	-1.0	-49.00	318.80	5.96	-43.04
COC1(CCNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004620092	0	39	-1.0	-49.09	314.80	1.98	-47.11
COC1(CCNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004620092	1	39	-1.0	-49.11	314.85	2.00	-47.11
C[C@@H](CF)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620093	0	31	-1.0	-54.93	270.61	4.37	-50.56
C[C@@H](CF)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620093	1	31	-1.0	-54.38	271.10	4.36	-50.02
C[C@@H](CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620094	0	28	-1.0	-37.48	256.87	1.24	-36.24
C[C@@H](CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620094	1	28	-1.0	-37.45	256.94	1.25	-36.20
O=C(NC1(CCO)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620095	0	36	-1.0	-56.92	306.08	2.21	-54.71
O=C(NC1(CCO)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620095	1	36	-1.0	-56.55	306.20	2.28	-54.27
O=C(NC1(CCO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620096	0	33	-1.0	-37.59	292.60	-0.83	-38.42
O=C(NC1(CCO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620096	1	33	-1.0	-37.53	292.66	-0.83	-38.36
CC(F)(F)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620097	0	34	-1.0	-57.98	298.04	5.01	-52.97
CC(F)(F)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620097	1	34	-1.0	-57.74	298.10	5.03	-52.71
CC(F)(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620098	0	31	-1.0	-37.68	283.88	1.92	-35.76
CC(F)(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620098	1	31	-1.0	-37.63	283.95	1.93	-35.70
CCC1C(CO)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004620100	0	39	-1.0	-48.03	297.35	1.63	-46.40
CCC1C(CO)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004620100	1	39	-1.0	-48.02	297.41	1.65	-46.37
COC(=O)C(CC(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620101	0	43	-1.0	-48.09	346.54	5.76	-42.33
COC(=O)C(CC(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620101	1	43	-1.0	-48.03	346.60	5.78	-42.25
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SN=N1	REAL250004620102	0	30	-1.0	-46.58	278.24	0.62	-45.96
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SN=N1	REAL250004620102	1	30	-1.0	-46.65	278.29	0.64	-46.01
O=C(CCCC1=N[N-]N=N1)N1CCCC(CO)CC1	REAL250004620103	0	39	-1.0	-49.43	302.77	1.97	-47.46
O=C(CCCC1=NN=N[N-]1)N1CCCC(CO)CC1	REAL250004620103	1	39	-1.0	-49.40	302.83	1.98	-47.42
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CC=N2)C1	REAL250004620104	0	36	-1.0	-52.75	302.15	3.54	-49.21
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CC=N2)C1	REAL250004620104	1	36	-1.0	-52.75	302.09	3.53	-49.22
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12CCCC2	REAL250004620105	0	45	-1.0	-46.79	334.48	5.73	-41.06
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12CCCC2	REAL250004620105	1	45	-1.0	-46.79	334.54	5.74	-41.05
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004620106	0	41	-1.0	-48.89	315.63	5.65	-43.24
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004620106	1	41	-1.0	-48.88	315.68	5.67	-43.21
CN1C=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004620107	0	31	-1.0	-60.00	277.24	7.34	-52.66
CN1C=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004620107	1	31	-1.0	-59.77	277.30	7.36	-52.41
CN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004620108	0	28	-1.0	-43.21	263.15	4.27	-38.94
CN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004620108	1	28	-1.0	-43.24	263.08	4.26	-38.98
O=C(NCC1=CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620109	0	39	-1.0	-51.86	319.31	6.60	-45.26
O=C(NCC1=CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620109	1	39	-1.0	-51.69	319.78	6.60	-45.09
O=C(NCC1=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620110	0	36	-1.0	-34.75	305.56	3.49	-31.26
O=C(NCC1=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620110	1	36	-1.0	-34.78	305.63	3.49	-31.29
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004620111	0	39	-1.0	-45.22	309.84	2.00	-43.22
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004620111	1	39	-1.0	-45.21	309.90	2.01	-43.20
O=C(CCCC1=N[N-]N=N1)NC1(CF)CCOCC1	REAL250004620112	0	36	-1.0	-45.60	288.61	1.77	-43.83
O=C(CCCC1=NN=N[N-]1)NC1(CF)CCOCC1	REAL250004620112	1	36	-1.0	-45.61	288.66	1.79	-43.82
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004620113	0	35	-1.0	-52.78	289.74	5.53	-47.25
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004620113	1	35	-1.0	-52.62	289.83	5.56	-47.06
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004620114	0	32	-1.0	-35.09	275.95	2.41	-32.68
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004620114	1	32	-1.0	-35.06	276.02	2.43	-32.63
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(Cl)=N1	REAL250004620115	0	30	-1.0	-46.74	284.07	2.69	-44.05
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(Cl)=N1	REAL250004620115	1	30	-1.0	-46.75	284.13	2.70	-44.05
CC#CCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620116	0	33	-1.0	-40.48	287.07	6.71	-33.77
CC#CCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620116	1	33	-1.0	-40.32	287.16	6.73	-33.59
CC#CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620117	0	30	-1.0	-37.28	272.56	4.46	-32.82
CC#CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620117	1	30	-1.0	-37.28	272.63	4.48	-32.80
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)CC1	REAL250004620118	0	36	-1.0	-49.81	283.41	1.31	-48.50
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)CC1	REAL250004620118	1	36	-1.0	-49.80	283.47	1.32	-48.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(O)CC1	REAL250004620119	0	36	-1.0	-37.11	288.17	2.01	-35.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(O)CC1	REAL250004620119	1	36	-1.0	-37.10	288.24	2.02	-35.08
CCOC(=O)C(C)(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620120	0	40	-1.0	-53.73	324.03	4.63	-49.10
CCOC(=O)C(C)(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620120	1	40	-1.0	-53.77	324.09	4.65	-49.12
C[C@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL250004620121	0	36	-1.0	-37.77	292.61	4.45	-33.32
C[C@H]1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL250004620121	1	36	-1.0	-37.61	292.64	4.46	-33.15
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004620122	0	33	-1.0	-34.84	276.85	2.19	-32.65
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004620122	1	33	-1.0	-34.79	276.91	2.20	-32.59
CCN1N=CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004620123	0	32	-1.0	-53.05	288.26	3.08	-49.97
CCN1N=CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004620123	1	32	-1.0	-53.09	288.32	3.09	-50.00
O=C(CCCC1=N[N-]N=N1)NCC=CC1=CC=CN=C1	REAL250004620124	0	35	-1.0	-48.77	305.00	3.00	-45.77
O=C(CCCC1=NN=N[N-]1)NCC=CC1=CC=CN=C1	REAL250004620124	1	35	-1.0	-48.78	305.06	3.01	-45.77
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(=O)N(C)C1	REAL250004620125	0	39	-1.0	-51.43	311.39	2.98	-48.45
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(=O)N(C)C1	REAL250004620125	1	39	-1.0	-51.49	311.44	2.99	-48.50
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)NN1	REAL250004620126	0	30	-1.0	-64.64	267.87	-1.19	-65.83
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)NN1	REAL250004620126	1	30	-1.0	-64.62	267.92	-1.18	-65.80
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)NN1	REAL250004620127	0	30	-1.0	-50.43	279.28	-1.60	-52.03
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)NN1	REAL250004620127	1	30	-1.0	-50.43	279.34	-1.60	-52.03
CC(F)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620128	0	34	-1.0	-55.18	292.78	4.96	-50.22
CC(F)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620128	1	34	-1.0	-54.94	292.84	4.98	-49.96
CC(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620129	0	31	-1.0	-36.57	278.62	1.87	-34.70
CC(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620129	1	31	-1.0	-36.58	278.69	1.88	-34.70
CCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)O	REAL250004620130	0	38	-1.0	-46.33	297.70	0.43	-45.90
CCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)O	REAL250004620130	1	38	-1.0	-46.38	297.76	0.44	-45.94
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)O	REAL250004620131	0	38	-1.0	-36.54	308.35	0.12	-36.42
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)O	REAL250004620131	1	38	-1.0	-36.51	308.42	0.13	-36.38
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)N1C	REAL250004620134	1	40	-1.0	-46.42	306.60	2.20	-44.22
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)N1C	REAL250004620134	1	40	-1.0	-46.44	306.65	2.21	-44.23
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CN=C1Cl	REAL250004620135	0	31	-1.0	-46.23	295.01	2.14	-44.09
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CN=C1Cl	REAL250004620135	1	31	-1.0	-46.22	294.96	2.13	-44.09
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2=CC=CC=C21	REAL250004620136	0	42	-1.0	-47.35	343.00	5.98	-41.37
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2=CC=CC=C21	REAL250004620136	1	42	-1.0	-47.40	343.05	5.99	-41.41
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C12CCCC2	REAL250004620137	0	40	-1.0	-49.12	305.52	2.28	-46.84
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C12CCCC2	REAL250004620137	1	40	-1.0	-49.18	305.58	2.29	-46.89
CC1=CC([C@@H](C)NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004620138	0	38	-1.0	-46.78	323.31	5.01	-41.77
CC1=CC([C@@H](C)NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004620138	1	38	-1.0	-46.75	323.37	5.03	-41.72
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004620139	0	41	-1.0	-48.03	315.76	2.25	-45.78
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004620139	1	41	-1.0	-48.01	315.82	2.27	-45.74
CC(C)N1C=NN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620140	0	40	-1.0	-61.28	330.68	5.89	-55.39
CC(C)N1C=NN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620140	1	40	-1.0	-61.28	330.74	5.91	-55.37
O=C(NOC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620141	0	33	-1.0	-57.08	294.98	7.21	-49.87
O=C(NOC1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620141	1	33	-1.0	-56.92	295.45	7.19	-49.73
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620142	0	30	-1.0	-37.83	281.23	4.08	-33.75
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620142	1	30	-1.0	-37.84	281.29	4.09	-33.75
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CC=C2O1	REAL250004620143	0	34	-1.0	-49.23	301.41	0.46	-48.77
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CC=C2O1	REAL250004620143	1	34	-1.0	-49.30	301.47	0.48	-48.82
CCOC(=O)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004620144	0	38	-1.0	-51.38	326.06	0.04	-51.34
CCOC(=O)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004620144	1	38	-1.0	-51.40	326.12	0.05	-51.35
C#CCC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620145	0	34	-1.0	-53.17	301.65	2.30	-50.87
C#CCC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620145	1	34	-1.0	-53.02	301.72	2.32	-50.70
C#CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620146	0	31	-1.0	-38.03	287.50	-0.81	-38.84
C#CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620146	1	31	-1.0	-38.03	287.57	-0.79	-38.82
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCCO1	REAL250004620147	0	40	-1.0	-48.57	327.67	1.90	-46.67
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCCO1	REAL250004620147	1	40	-1.0	-48.58	327.72	1.92	-46.66
O=C(N[C@@H]1COC(=O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620148	0	32	-1.0	-52.12	280.79	4.04	-48.08
O=C(N[C@@H]1COC(=O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620148	1	32	-1.0	-51.70	281.28	4.02	-47.68
O=C(N[C@@H]1COC(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620149	0	29	-1.0	-39.77	267.18	0.93	-38.84
O=C(N[C@@H]1COC(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620149	1	29	-1.0	-39.76	267.24	0.95	-38.81
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CC(=O)NC2=NN1	REAL250004620150	0	32	-1.0	-51.80	284.26	1.16	-50.64
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CC(=O)NC2=NN1	REAL250004620150	1	32	-1.0	-51.77	284.32	1.18	-50.59
CC1=CC=C2CCC[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004620151	0	42	-1.0	-48.98	333.75	5.84	-43.14
CC1=CC=C2CCC[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004620151	1	42	-1.0	-48.97	333.81	5.85	-43.12
CCOCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620152	0	38	-1.0	-47.08	306.45	1.93	-45.15
CCOCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620152	1	38	-1.0	-47.03	306.51	1.95	-45.08
CCOCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620153	0	38	-1.0	-35.05	317.03	1.72	-33.33
CCOCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620153	1	38	-1.0	-35.08	317.10	1.73	-33.35
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCOC2	REAL250004620154	0	34	-1.0	-48.41	282.97	1.91	-46.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCOC2	REAL250004620154	1	34	-1.0	-48.44	283.03	1.92	-46.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCOC2	REAL250004620155	0	34	-1.0	-37.83	290.67	1.79	-36.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCOC2	REAL250004620155	1	34	-1.0	-37.81	290.74	1.80	-36.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCC2)C=N1	REAL250004620156	0	38	-1.0	-53.29	315.20	5.58	-47.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCC2)C=N1	REAL250004620156	1	38	-1.0	-53.28	315.14	5.57	-47.71
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[C@@H](C)CO	REAL250004620157	0	38	-1.0	-54.38	291.30	3.57	-50.81
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[C@@H](C)CO	REAL250004620157	1	38	-1.0	-53.89	291.55	3.61	-50.28
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@H](C)CO	REAL250004620158	0	35	-1.0	-36.78	282.02	1.81	-34.97
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H](C)CO	REAL250004620158	1	35	-1.0	-36.77	282.09	1.81	-34.96
O=C(NCCC1=CNN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620159	0	35	-1.0	-57.76	304.78	3.64	-54.12
O=C(NCCC1=CNN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620159	1	35	-1.0	-57.35	305.26	3.62	-53.73
O=C(NCCC1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620160	0	32	-1.0	-39.27	291.09	0.52	-38.75
O=C(NCCC1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620160	1	32	-1.0	-39.28	291.03	0.51	-38.77
COCC(C)(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620161	0	38	-1.0	-47.69	298.21	2.70	-44.99
COCC(C)(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620161	1	38	-1.0	-47.68	298.27	2.72	-44.96
COCC(C)(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620162	0	38	-1.0	-35.55	305.80	3.10	-32.45
COCC(C)(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620162	1	38	-1.0	-35.49	305.87	3.10	-32.39
COCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004620163	0	35	-1.0	-48.86	319.31	0.21	-48.65
COCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004620163	1	35	-1.0	-48.87	319.37	0.23	-48.64
CC1(C)CC1(C#N)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620165	0	36	-1.0	-61.90	309.94	5.51	-56.39
CC1(C)CC1(C#N)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620165	1	36	-1.0	-61.65	310.04	5.53	-56.12
CC1(C)CC1(C#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620166	0	33	-1.0	-39.58	296.16	2.38	-37.20
CC1(C)CC1(C#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620166	1	33	-1.0	-39.58	296.23	2.40	-37.18
CCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620167	0	39	-1.0	-51.46	314.05	3.49	-47.97
CCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620167	1	39	-1.0	-51.47	314.11	3.50	-47.97
CC(C)C1=C(NC(=O)CCCC2=NN=N[N-]2)N=CS1	REAL250004620168	0	34	-1.0	-51.66	300.17	4.06	-47.60
CC(C)C1=C(NC(=O)CCCC2=N[N-]N=N2)N=CS1	REAL250004620168	1	34	-1.0	-51.67	300.12	4.05	-47.62
CC(C)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620169	0	42	-1.0	-49.11	321.12	1.87	-47.24
CC(C)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620169	1	42	-1.0	-49.16	321.17	1.89	-47.27
O=C(CCCC1=N[N-]N=N1)N(C1CCC1)C1CCC1	REAL250004620170	0	39	-1.0	-45.62	291.39	5.31	-40.31
O=C(CCCC1=NN=N[N-]1)N(C1CCC1)C1CCC1	REAL250004620170	1	39	-1.0	-45.62	291.45	5.33	-40.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(C1CCC1)C1CCC1	REAL250004620171	0	39	-1.0	-34.82	295.01	6.01	-28.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(C1CCC1)C1CCC1	REAL250004620171	1	39	-1.0	-34.79	295.09	5.99	-28.80
CCC1=CC=C(C(C#N)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004620172	0	39	-1.0	-49.19	338.78	5.42	-43.77
CCC1=CC=C(C(C#N)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004620172	1	39	-1.0	-49.19	338.84	5.44	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1=CCCOC1	REAL250004620173	0	34	-1.0	-46.38	286.07	1.29	-45.09
O=C(CCCC1=NN=N[N-]1)NCC1=CCCOC1	REAL250004620173	1	34	-1.0	-46.38	286.13	1.31	-45.07
O=C(NCC1=CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620174	0	34	-1.0	-36.20	296.67	1.08	-35.12
O=C(NCC1=CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620174	1	34	-1.0	-36.18	296.73	1.09	-35.09
O=C(CCCC1=N[N-]N=N1)NCC1CCCSC1	REAL250004620175	0	36	-1.0	-46.34	301.26	3.63	-42.71
O=C(CCCC1=NN=N[N-]1)NCC1CCCSC1	REAL250004620175	1	36	-1.0	-46.38	301.32	3.64	-42.74
CCC(CC)N(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004620176	0	40	-1.0	-47.20	305.74	5.84	-41.36
CCC(CC)N(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004620176	1	40	-1.0	-47.18	305.80	5.85	-41.33
CCC(CC)N(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620177	0	40	-1.0	-36.09	313.27	6.62	-29.47
CCC(CC)N(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620177	1	40	-1.0	-36.06	313.33	6.61	-29.45
CC(=O)NC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620178	0	42	-1.0	-53.47	341.06	1.49	-51.98
CC(=O)NC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620178	1	42	-1.0	-53.46	341.12	1.50	-51.96
CON(CC1CCCC(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004620179	0	45	-1.0	-44.71	353.75	6.41	-38.30
CON(CC1CCCC(C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004620179	1	45	-1.0	-44.68	353.80	6.42	-38.26
CCCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620180	0	42	-1.0	-48.45	328.55	1.98	-46.47
CCCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620180	1	42	-1.0	-48.47	328.61	1.99	-46.48
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004620181	0	36	-1.0	-50.26	305.41	4.06	-46.20
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004620181	1	36	-1.0	-50.26	305.46	4.07	-46.19
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOC(C)(C)C1	REAL250004620182	0	45	-1.0	-49.50	338.16	4.68	-44.82
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOC(C)(C)C1	REAL250004620182	1	45	-1.0	-49.49	338.22	4.70	-44.79
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCOC2=C1	REAL250004620183	0	37	-1.0	-50.13	314.29	0.37	-49.76
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCOC2=C1	REAL250004620183	1	37	-1.0	-50.13	314.34	0.39	-49.74
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004620184	0	39	-1.0	-49.97	325.37	5.40	-44.57
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004620184	1	39	-1.0	-50.00	325.43	5.42	-44.58
CC1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N=C1	REAL250004620185	0	39	-1.0	-52.54	324.02	4.22	-48.32
CC1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N=C1	REAL250004620185	1	39	-1.0	-52.53	323.97	4.21	-48.32
COC[C@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620186	0	36	-1.0	-51.51	304.61	1.54	-49.97
COC[C@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620186	1	36	-1.0	-51.69	305.10	1.51	-50.18
COC[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620187	0	33	-1.0	-37.51	290.87	-1.60	-39.11
COC[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620187	1	33	-1.0	-37.49	290.94	-1.59	-39.08
CN(C)C1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004620188	0	39	-1.0	-48.93	327.57	1.61	-47.32
CN(C)C1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004620188	1	39	-1.0	-48.94	327.63	1.62	-47.32
CC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004620190	0	35	-1.0	-49.65	300.84	2.44	-47.21
CC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004620190	1	35	-1.0	-49.65	300.89	2.46	-47.19
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)O1	REAL250004620191	0	32	-1.0	-57.18	277.63	1.86	-55.32
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)O1	REAL250004620191	1	32	-1.0	-57.17	277.69	1.87	-55.30
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)O1	REAL250004620192	0	32	-1.0	-42.75	287.87	1.63	-41.12
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)O1	REAL250004620192	1	32	-1.0	-42.72	287.94	1.63	-41.09
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004620194	0	42	-1.0	-48.99	323.90	6.89	-42.10
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004620194	1	42	-1.0	-49.03	323.95	6.90	-42.13
CCOCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620195	0	41	-1.0	-45.92	330.01	2.87	-43.05
CCOCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620195	1	41	-1.0	-45.92	330.07	2.88	-43.04
CC(C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004620196	0	35	-1.0	-50.50	292.09	-0.99	-51.49
CC(C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004620196	1	35	-1.0	-50.47	292.15	-0.98	-51.45
CC(C)[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004620197	0	35	-1.0	-40.04	297.49	-1.31	-41.35
CC(C)[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004620197	1	35	-1.0	-40.02	297.56	-1.31	-41.33
CC1CC(C(C)(C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004620198	0	47	-1.0	-46.97	341.63	6.18	-40.79
CC1CC(C(C)(C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004620198	1	47	-1.0	-46.97	341.68	6.19	-40.78
CC(C)NC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620199	0	40	-1.0	-50.26	340.10	1.51	-48.75
CC(C)NC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620199	1	40	-1.0	-50.31	340.16	1.53	-48.78
O=C(CCCC1=N[N-]N=N1)NC1=CC(C2CC2)=CC=N1	REAL250004620200	0	35	-1.0	-52.23	298.73	5.15	-47.08
O=C(CCCC1=NN=N[N-]1)NC1=CC(C2CC2)=CC=N1	REAL250004620200	1	35	-1.0	-52.22	298.78	5.17	-47.05
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)N=CN2	REAL250004620201	0	33	-1.0	-49.26	274.90	3.25	-46.01
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)N=CN2	REAL250004620201	1	33	-1.0	-49.27	274.96	3.27	-46.00
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)NC=N2	REAL250004620201	1	33	-1.0	-52.07	274.97	3.29	-48.78
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)NC=N2	REAL250004620201	1	33	-1.0	-52.11	275.03	3.30	-48.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C1)N=CN2	REAL250004620202	0	33	-1.0	-41.70	282.35	3.55	-38.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C1)N=CN2	REAL250004620202	1	33	-1.0	-41.71	282.42	3.55	-38.16
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C1)NC=N2	REAL250004620202	1	33	-1.0	-38.32	282.31	3.52	-34.80
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C1)NC=N2	REAL250004620202	1	33	-1.0	-38.23	282.37	3.52	-34.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1NC(=O)N2	REAL250004620203	0	33	-1.0	-49.42	288.21	0.20	-49.22
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1NC(=O)N2	REAL250004620203	1	33	-1.0	-49.37	288.27	0.22	-49.15
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2NC=NN12	REAL250004620204	0	28	-1.0	-62.94	256.17	6.75	-56.19
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2NC=NN12	REAL250004620204	1	28	-1.0	-62.91	256.23	6.76	-56.15
O=C(NC1=NN=C2N=CNN21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620205	0	28	-1.0	-50.83	266.62	6.21	-44.62
O=C(NC1=NN=C2N=CNN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620205	1	28	-1.0	-50.85	266.68	6.22	-44.63
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=NC=C2)C1	REAL250004620206	0	38	-1.0	-49.73	315.01	4.56	-45.17
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=NC=C2)C1	REAL250004620206	1	38	-1.0	-49.72	315.07	4.58	-45.14
CCOC(=O)C(CC(C)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004620207	0	39	-1.0	-47.07	334.19	3.94	-43.13
CCOC(=O)C(CC(C)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004620207	1	39	-1.0	-47.05	334.25	3.95	-43.10
O=C(CCCC1=N[N-]N=N1)NCC1=CNC(=O)N1	REAL250004620208	0	30	-1.0	-51.60	268.54	-1.84	-53.44
O=C(CCCC1=NN=N[N-]1)NCC1=CNC(=O)N1	REAL250004620208	1	30	-1.0	-51.63	268.60	-1.83	-53.46
O=C(NCC1=CNC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620209	0	30	-1.0	-42.90	279.14	-2.06	-44.96
O=C(NCC1=CNC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620209	1	30	-1.0	-42.88	279.21	-2.05	-44.93
CN(C)S(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004620210	0	36	-1.0	-56.91	317.78	-1.51	-58.42
CN(C)S(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004620210	1	36	-1.0	-56.99	317.84	-1.50	-58.49
CN1N=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004620211	0	31	-1.0	-48.48	273.82	-0.17	-48.65
CN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004620211	1	31	-1.0	-48.49	273.88	-0.15	-48.64
CN1N=NC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620212	0	34	-1.0	-51.77	298.19	2.74	-49.03
CN1N=NC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620212	1	34	-1.0	-51.62	298.29	2.76	-48.86
CN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620213	0	31	-1.0	-39.44	284.41	-0.37	-39.81
CN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620213	1	31	-1.0	-39.41	284.48	-0.37	-39.78
CC(C)(O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004620214	0	35	-1.0	-53.05	310.54	0.88	-52.17
CC(C)(O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004620214	1	35	-1.0	-53.04	310.48	0.87	-52.17
O=C(CCCC1=N[N-]N=N1)N1CCC1C(F)(F)F	REAL250004620215	0	29	-1.0	-52.30	260.82	3.08	-49.22
O=C(CCCC1=NN=N[N-]1)N1CCC1C(F)(F)F	REAL250004620215	1	29	-1.0	-52.31	260.88	3.09	-49.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C(F)(F)F	REAL250004620216	0	29	-1.0	-39.54	271.65	3.20	-36.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C(F)(F)F	REAL250004620216	1	29	-1.0	-39.55	271.71	3.20	-36.35
COCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620217	0	39	-1.0	-46.97	324.12	1.99	-44.98
COCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620217	1	39	-1.0	-47.00	324.18	2.00	-45.00
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2COC(=O)C2=C1	REAL250004620218	0	33	-1.0	-62.00	291.71	3.72	-58.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2COC(=O)C2=C1	REAL250004620218	1	33	-1.0	-62.00	291.77	3.74	-58.26
CCC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004620219	0	33	-1.0	-48.82	301.76	1.03	-47.79
CCC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004620219	1	33	-1.0	-48.80	301.81	1.04	-47.76
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C1=CC=CC=C1	REAL250004620220	0	35	-1.0	-46.08	310.48	4.36	-41.72
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C1=CC=CC=C1	REAL250004620220	1	35	-1.0	-46.07	310.54	4.38	-41.69
O=C(CCCC1=N[N-]N=N1)NC1(C(F)F)CCCC1	REAL250004620221	0	35	-1.0	-45.18	287.71	3.20	-41.98
O=C(CCCC1=NN=N[N-]1)NC1(C(F)F)CCCC1	REAL250004620221	1	35	-1.0	-45.22	287.77	3.21	-42.01
O=C(CCCC1=NN=N[N-]1)NC1=NC=C(CCO)S1	REAL250004620222	0	32	-1.0	-52.90	294.40	0.20	-52.70
O=C(CCCC1=N[N-]N=N1)NC1=NC=C(CCO)S1	REAL250004620222	1	32	-1.0	-52.89	294.34	0.18	-52.71
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC(=O)NN1	REAL250004620223	0	36	-1.0	-57.03	312.00	-0.48	-57.51
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC(=O)NN1	REAL250004620223	1	36	-1.0	-57.05	312.06	-0.46	-57.51
COCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620224	0	38	-1.0	-46.11	308.16	1.90	-44.21
COCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620224	1	38	-1.0	-46.09	308.21	1.92	-44.17
COCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620225	0	38	-1.0	-35.30	318.75	1.69	-33.61
COCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620225	1	38	-1.0	-35.30	318.82	1.71	-33.59
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)OC=C1	REAL250004620226	0	35	-1.0	-51.99	304.76	5.14	-46.85
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)OC=C1	REAL250004620226	1	35	-1.0	-51.80	304.85	5.16	-46.64
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL250004620227	0	32	-1.0	-36.49	290.97	2.02	-34.47
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL250004620227	1	32	-1.0	-36.49	291.04	2.03	-34.46
O=C(CCCC1=N[N-]N=N1)NCCC1(F)CCC1	REAL250004620229	0	35	-1.0	-49.92	294.44	3.30	-46.62
O=C(CCCC1=NN=N[N-]1)NCCC1(F)CCC1	REAL250004620229	1	35	-1.0	-49.94	294.49	3.31	-46.63
O=C(NCCC1(F)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620230	0	35	-1.0	-36.78	305.17	3.11	-33.67
O=C(NCCC1(F)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620230	1	35	-1.0	-36.76	305.24	3.11	-33.65
C=CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620231	0	47	-1.0	-46.57	382.47	6.47	-40.10
C=CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620231	1	47	-1.0	-46.53	382.53	6.49	-40.04
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004620232	0	41	-1.0	-45.95	311.15	4.31	-41.64
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004620232	1	41	-1.0	-45.99	311.21	4.32	-41.67
CN(CC(Cl)Cl)C(=O)CCCC1=N[N-]N=N1	REAL250004620233	0	28	-1.0	-46.84	260.59	3.64	-43.20
CN(CC(Cl)Cl)C(=O)CCCC1=NN=N[N-]1	REAL250004620233	1	28	-1.0	-46.83	260.65	3.66	-43.17
C=CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004620234	0	36	-1.0	-47.89	308.52	6.52	-41.37
C=CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004620234	1	36	-1.0	-47.88	308.58	6.54	-41.34
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004620235	0	35	-1.0	-61.97	303.02	2.63	-59.34
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004620235	1	35	-1.0	-61.99	303.08	2.65	-59.34
COC(=O)C1=C(NC(=O)CCCC2=N[N-]N=N2)SC=C1	REAL250004620236	0	32	-1.0	-44.47	294.59	3.24	-41.23
COC(=O)C1=C(NC(=O)CCCC2=NN=N[N-]2)SC=C1	REAL250004620236	1	32	-1.0	-44.48	294.65	3.25	-41.23
O=C(CCCC1=N[N-]N=N1)N(CC(F)(F)F)C1CC1	REAL250004620237	0	32	-1.0	-46.86	278.43	4.29	-42.57
O=C(CCCC1=NN=N[N-]1)N(CC(F)(F)F)C1CC1	REAL250004620237	1	32	-1.0	-46.94	278.49	4.30	-42.64
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004620238	0	42	-1.0	-47.33	317.21	2.38	-44.95
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004620238	1	42	-1.0	-47.33	317.27	2.40	-44.93
CN(CC1=NN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004620239	0	34	-1.0	-63.11	288.69	4.52	-58.59
CN(CC1=NN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004620239	1	34	-1.0	-63.14	288.75	4.53	-58.61
CN(CC1=NN=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620240	0	34	-1.0	-40.50	297.06	5.06	-35.44
CN(CC1=NN=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620240	1	34	-1.0	-40.50	297.13	5.07	-35.43
CC1=NN=C(N(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004620241	0	30	-1.0	-58.49	272.77	3.08	-55.41
CC1=NN=C(N(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004620241	1	30	-1.0	-58.48	272.83	3.10	-55.38
CC1=CC=C2CCC[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004620242	0	42	-1.0	-49.01	333.66	5.83	-43.18
CC1=CC=C2CCC[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004620242	1	42	-1.0	-49.02	333.71	5.84	-43.18
CC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004620243	0	33	-1.0	-53.45	301.78	1.03	-52.42
CC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004620243	1	33	-1.0	-53.45	301.83	1.05	-52.40
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004620244	0	35	-1.0	-46.30	287.43	4.26	-42.04
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004620244	1	35	-1.0	-46.32	287.49	4.28	-42.04
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(C)C	REAL250004620246	0	40	-1.0	-47.59	294.49	4.90	-42.69
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(C)C	REAL250004620246	1	40	-1.0	-47.63	294.55	4.91	-42.72
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(C)C	REAL250004620247	0	40	-1.0	-36.28	307.66	6.07	-30.21
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(C)C	REAL250004620247	1	40	-1.0	-36.27	307.73	6.07	-30.20
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CNC(=O)C2=C1	REAL250004620248	0	34	-1.0	-63.90	295.52	0.84	-63.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CNC(=O)C2=C1	REAL250004620248	1	34	-1.0	-63.91	295.58	0.85	-63.06
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004620249	0	32	-1.0	-47.30	280.41	0.09	-47.21
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004620249	1	32	-1.0	-47.32	280.35	0.08	-47.24
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL250004620250	0	32	-1.0	-38.13	291.01	-0.13	-38.26
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL250004620250	1	32	-1.0	-38.18	290.95	-0.14	-38.32
CC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004620251	0	37	-1.0	-48.21	311.32	4.54	-43.67
CC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004620251	1	37	-1.0	-48.26	311.38	4.55	-43.71
CC1OC2=CC=CC=C2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004620252	0	37	-1.0	-47.47	313.79	3.41	-44.06
CC1OC2=CC=CC=C2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004620252	1	37	-1.0	-47.46	313.85	3.42	-44.04
CCCC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004620253	0	40	-1.0	-46.92	340.10	1.15	-45.77
CCCC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004620253	1	40	-1.0	-46.94	340.16	1.16	-45.78
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1COC2	REAL250004620254	0	37	-1.0	-47.06	284.04	3.42	-43.64
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1COC2	REAL250004620254	1	37	-1.0	-47.05	284.09	3.43	-43.62
NC(=O)N1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620255	0	41	-1.0	-52.31	328.93	0.12	-52.19
NC(=O)N1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620255	1	41	-1.0	-52.31	328.99	0.13	-52.18
NC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620256	0	36	-1.0	-51.72	299.61	0.27	-51.45
NC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620256	1	36	-1.0	-51.78	299.66	0.29	-51.49
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1CCCO1	REAL250004620257	0	43	-1.0	-46.62	336.57	4.26	-42.36
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1CCCO1	REAL250004620257	1	43	-1.0	-46.65	336.62	4.27	-42.38
CC(CF)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620258	0	31	-1.0	-54.98	271.03	4.34	-50.64
CC(CF)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620258	1	31	-1.0	-54.82	271.10	4.36	-50.46
CC(CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620259	0	28	-1.0	-37.46	256.88	1.24	-36.22
CC(CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620259	1	28	-1.0	-37.43	256.94	1.25	-36.18
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004620260	0	43	-1.0	-47.01	332.23	1.78	-45.23
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004620260	1	43	-1.0	-47.04	332.29	1.80	-45.24
CNC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620261	0	35	-1.0	-52.54	300.54	1.90	-50.64
CNC(=O)[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620261	1	35	-1.0	-52.09	301.03	1.88	-50.21
CNC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620262	0	32	-1.0	-40.85	286.81	-1.25	-42.10
CNC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620262	1	32	-1.0	-40.80	286.87	-1.23	-42.03
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004620263	0	39	-1.0	-49.86	317.19	-1.35	-51.21
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004620263	1	39	-1.0	-49.91	317.24	-1.33	-51.24
COC(=O)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004620264	0	39	-1.0	-46.02	313.73	2.43	-43.59
COC(=O)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004620264	1	39	-1.0	-46.08	313.79	2.44	-43.64
O=C(CCCC1=N[N-]N=N1)N1CCN2C=NC=C2C1	REAL250004620265	0	33	-1.0	-49.13	275.89	4.28	-44.85
O=C(CCCC1=NN=N[N-]1)N1CCN2C=NC=C2C1	REAL250004620265	1	33	-1.0	-49.14	275.95	4.30	-44.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=NC=C2C1	REAL250004620266	0	33	-1.0	-39.28	283.24	4.57	-34.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=NC=C2C1	REAL250004620266	1	33	-1.0	-39.27	283.31	4.58	-34.69
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(C1)NC=N2	REAL250004620267	0	36	-1.0	-51.44	299.20	2.78	-48.66
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(C1)N=CN2	REAL250004620267	1	36	-1.0	-56.09	299.20	2.78	-53.31
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(C1)N=CN2	REAL250004620267	1	36	-1.0	-56.11	299.25	2.80	-53.31
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(C1)NC=N2	REAL250004620267	1	36	-1.0	-51.40	299.26	2.80	-48.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1COC2=O	REAL250004620268	0	33	-1.0	-50.41	290.68	3.74	-46.67
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1COC2=O	REAL250004620268	1	33	-1.0	-50.39	290.73	3.75	-46.64
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C(C=CO2)C1	REAL250004620269	0	36	-1.0	-49.10	293.94	4.67	-44.43
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C(C=CO2)C1	REAL250004620269	1	36	-1.0	-49.15	294.00	4.69	-44.46
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1CC1	REAL250004620270	0	39	-1.0	-47.43	313.36	5.37	-42.06
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1CC1	REAL250004620270	1	39	-1.0	-47.41	313.43	5.38	-42.03
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C1CC1	REAL250004620271	0	39	-1.0	-37.02	321.32	5.29	-31.73
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C1CC1	REAL250004620271	1	39	-1.0	-36.99	321.39	5.30	-31.69
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C1C1CC1	REAL250004620272	0	40	-1.0	-48.09	326.13	5.98	-42.11
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C1C1CC1	REAL250004620272	1	40	-1.0	-48.13	326.19	6.00	-42.13
CC(C)CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620273	0	47	-1.0	-46.52	341.42	6.16	-40.36
CC(C)CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620273	1	47	-1.0	-46.50	341.47	6.17	-40.33
CC(C)S(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004620274	0	37	-1.0	-59.70	321.51	-0.50	-60.20
CC(C)S(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004620274	1	37	-1.0	-59.76	321.57	-0.49	-60.25
CC(C)(CCC#N)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620275	0	38	-1.0	-52.78	311.63	3.68	-49.10
CC(C)(CCC#N)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620275	1	38	-1.0	-52.78	311.69	3.69	-49.09
CC(C)(CCC#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620276	0	38	-1.0	-40.57	322.23	3.47	-37.10
CC(C)(CCC#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620276	1	38	-1.0	-40.57	322.30	3.48	-37.09
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCCC1	REAL250004620277	0	39	-1.0	-46.02	313.90	0.68	-45.34
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCCC1	REAL250004620277	1	39	-1.0	-46.01	313.96	0.70	-45.31
CCC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)OC	REAL250004620278	0	38	-1.0	-53.06	314.86	3.85	-49.21
CCC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)OC	REAL250004620278	1	38	-1.0	-52.83	314.97	3.86	-48.97
CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004620279	0	35	-1.0	-35.58	302.57	0.97	-34.61
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004620279	1	35	-1.0	-35.54	302.64	0.97	-34.57
CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1=O	REAL250004620280	0	32	-1.0	-59.72	268.58	2.30	-57.42
CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1=O	REAL250004620280	1	32	-1.0	-59.75	268.64	2.32	-57.43
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1=O	REAL250004620281	0	32	-1.0	-44.40	279.16	2.10	-42.30
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1=O	REAL250004620281	1	32	-1.0	-44.35	279.22	2.13	-42.22
O=C(CCCC1=N[N-]N=N1)NCC1COC2=CC=CC=C21	REAL250004620282	0	37	-1.0	-50.68	313.74	3.38	-47.30
O=C(CCCC1=NN=N[N-]1)NCC1COC2=CC=CC=C21	REAL250004620282	1	37	-1.0	-50.69	313.80	3.39	-47.30
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2CO1	REAL250004620283	0	34	-1.0	-45.39	289.92	4.79	-40.60
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2CO1	REAL250004620283	1	34	-1.0	-45.39	289.98	4.81	-40.58
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004620284	0	38	-1.0	-48.20	302.70	2.49	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004620284	1	38	-1.0	-48.22	302.76	2.50	-45.72
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CC=C1	REAL250004620285	0	39	-1.0	-48.47	321.01	2.60	-45.87
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CC=C1	REAL250004620285	1	39	-1.0	-48.46	321.07	2.61	-45.85
O=C(NOCC=CCl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620286	0	30	-1.0	-56.81	287.08	5.63	-51.18
O=C(NOCC=CCl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620286	1	30	-1.0	-56.61	287.15	5.65	-50.96
O=C(NOCC=CCl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620287	0	27	-1.0	-36.50	272.92	2.54	-33.96
O=C(NOCC=CCl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620287	1	27	-1.0	-36.49	272.99	2.54	-33.95
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004620288	0	32	-1.0	-49.20	294.94	2.03	-47.17
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004620288	1	32	-1.0	-49.25	295.00	2.05	-47.20
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=C1CCCC2	REAL250004620289	0	38	-1.0	-48.03	317.47	3.51	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=C1CCCC2	REAL250004620289	1	38	-1.0	-48.04	317.52	3.53	-44.51
CCCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004620290	0	40	-1.0	-47.70	316.89	5.72	-41.98
CCCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004620290	1	40	-1.0	-47.69	316.95	5.74	-41.95
CCCCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620291	0	40	-1.0	-36.00	324.70	6.12	-29.88
CCCCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620291	1	40	-1.0	-35.99	324.77	6.13	-29.86
NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004620292	0	33	-1.0	-58.02	293.43	2.11	-55.91
NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004620292	1	33	-1.0	-58.06	293.48	2.12	-55.94
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004620293	0	38	-1.0	-50.10	328.01	1.51	-48.59
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004620293	1	38	-1.0	-50.14	328.06	1.53	-48.61
COCC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620295	0	44	-1.0	-47.29	349.00	2.90	-44.39
COCC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620295	1	44	-1.0	-47.30	349.06	2.92	-44.38
CC(CC(F)F)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620296	0	34	-1.0	-52.34	295.79	5.64	-46.70
CC(CC(F)F)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620296	1	34	-1.0	-52.17	295.86	5.66	-46.51
CC(CC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620297	0	31	-1.0	-37.79	281.64	2.54	-35.25
CC(CC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620297	1	31	-1.0	-37.79	281.70	2.57	-35.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OC(=O)N2	REAL250004620298	0	32	-1.0	-48.90	284.79	0.88	-48.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OC(=O)N2	REAL250004620298	1	32	-1.0	-48.97	284.84	0.89	-48.08
C=CCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620300	0	44	-1.0	-46.57	360.98	5.69	-40.88
C=CCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620300	1	44	-1.0	-46.56	361.03	5.70	-40.86
NC1=NNC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004620301	0	33	-1.0	-55.11	290.58	0.85	-54.26
NC1=NNC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004620301	1	33	-1.0	-55.12	290.64	0.87	-54.25
O=C(CCCC1=N[N-]N=N1)NC1CCCC1(F)F	REAL250004620302	0	32	-1.0	-51.15	275.25	3.04	-48.11
O=C(CCCC1=NN=N[N-]1)NC1CCCC1(F)F	REAL250004620302	1	32	-1.0	-51.17	275.31	3.05	-48.12
O=C(NC1CCCC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620303	0	32	-1.0	-36.35	284.60	2.70	-33.65
O=C(NC1CCCC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620303	1	32	-1.0	-36.27	284.66	2.70	-33.57
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CC2)CC1	REAL250004620304	0	39	-1.0	-46.56	307.50	5.69	-40.87
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CC2)CC1	REAL250004620304	1	39	-1.0	-46.55	307.56	5.71	-40.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CC2)CC1	REAL250004620305	0	39	-1.0	-35.05	315.55	5.87	-29.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CC2)CC1	REAL250004620305	1	39	-1.0	-34.99	315.62	5.88	-29.11
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C(F)(F)F	REAL250004620306	0	32	-1.0	-47.12	282.68	3.02	-44.10
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C(F)(F)F	REAL250004620306	1	32	-1.0	-47.14	282.74	3.03	-44.11
C=C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004620307	0	36	-1.0	-47.08	312.49	4.69	-42.39
C=C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004620307	1	36	-1.0	-47.06	312.55	4.71	-42.35
COC1=CC(F)=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004620309	0	33	-1.0	-48.43	293.71	2.90	-45.53
COC1=CC(F)=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004620309	1	33	-1.0	-48.43	293.76	2.91	-45.52
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004620310	0	37	-1.0	-48.84	319.34	0.62	-48.22
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004620310	1	37	-1.0	-48.87	319.40	0.63	-48.24
O=C(CCCC1=N[N-]N=N1)NCC1(CCO)CCCCC1	REAL250004620311	0	45	-1.0	-46.72	337.06	1.44	-45.28
O=C(CCCC1=NN=N[N-]1)NCC1(CCO)CCCCC1	REAL250004620311	1	45	-1.0	-46.73	337.11	1.45	-45.28
O=C(CCCC1=N[N-]N=N1)NC1CC(C(F)(F)F)C1	REAL250004620312	0	32	-1.0	-47.20	284.28	2.92	-44.28
O=C(CCCC1=NN=N[N-]1)NC1CC(C(F)(F)F)C1	REAL250004620312	1	32	-1.0	-47.17	284.34	2.94	-44.23
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(F)(F)CC1	REAL250004620313	0	38	-1.0	-46.39	306.19	5.09	-41.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(F)(F)CC1	REAL250004620313	1	38	-1.0	-46.42	306.25	5.10	-41.32
O=C(CCCC1=N[N-]N=N1)N1CCOCC(F)(F)C1	REAL250004620314	0	33	-1.0	-54.19	274.36	2.34	-51.85
O=C(CCCC1=NN=N[N-]1)N1CCOCC(F)(F)C1	REAL250004620314	1	33	-1.0	-54.14	274.41	2.35	-51.79
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004620315	0	45	-1.0	-45.92	340.65	4.17	-41.75
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004620315	1	45	-1.0	-45.93	340.71	4.18	-41.75
O=C(CCCC1=N[N-]N=N1)NCCCN1C=C(CO)N=N1	REAL250004620316	0	38	-1.0	-52.58	329.32	-1.71	-54.29
O=C(CCCC1=NN=N[N-]1)NCCCN1C=C(CO)N=N1	REAL250004620316	1	38	-1.0	-52.55	329.37	-1.70	-54.25
COCCN(CC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004620317	0	33	-1.0	-49.34	289.49	2.49	-46.85
COCCN(CC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004620317	1	33	-1.0	-49.38	289.54	2.51	-46.87
COCCN(CC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620318	0	33	-1.0	-39.47	295.69	2.98	-36.49
COCCN(CC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620318	1	33	-1.0	-39.45	295.75	2.98	-36.47
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCC1	REAL250004620321	0	39	-1.0	-47.12	314.30	5.45	-41.67
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCC1	REAL250004620321	1	39	-1.0	-47.11	314.35	5.46	-41.65
O=C(NC(C1CC1)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620322	0	39	-1.0	-34.96	320.39	5.17	-29.79
O=C(NC(C1CC1)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620322	1	39	-1.0	-34.94	320.47	5.17	-29.77
CC1CCCCC1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620323	0	41	-1.0	-46.02	302.24	4.02	-42.00
CC1CCCCC1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620323	1	41	-1.0	-46.05	302.28	4.03	-42.02
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCCN2C1=O	REAL250004620324	0	40	-1.0	-57.85	322.53	2.32	-55.53
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCCN2C1=O	REAL250004620324	1	40	-1.0	-57.87	322.59	2.33	-55.54
O=C(CCCC1=N[N-]N=N1)NC1=CC(O)=C(F)C=C1F	REAL250004620325	0	30	-1.0	-46.71	275.34	0.68	-46.03
O=C(CCCC1=NN=N[N-]1)NC1=CC(O)=C(F)C=C1F	REAL250004620325	1	30	-1.0	-46.70	275.39	0.70	-46.00
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL250004620326	0	38	-1.0	-51.64	306.99	-0.25	-51.89
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL250004620326	1	38	-1.0	-51.70	307.05	-0.24	-51.94
CCC(COC)(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004620327	0	41	-1.0	-54.78	337.12	2.02	-52.76
CCC(COC)(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004620327	1	41	-1.0	-54.80	337.18	2.04	-52.76
CCOC(=O)C1=CNC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004620328	0	35	-1.0	-46.80	310.78	4.27	-42.53
CCOC(=O)C1=CNC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004620328	1	35	-1.0	-46.82	310.84	4.29	-42.53
CNC(=S)N(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620329	0	31	-1.0	-55.83	280.80	2.22	-53.61
CNC(=S)N(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620329	1	31	-1.0	-55.86	280.85	2.23	-53.63
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC=CC1	REAL250004620331	0	30	-1.0	-55.16	254.28	5.15	-50.01
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC=CC1	REAL250004620331	1	30	-1.0	-55.65	253.80	5.14	-50.51
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C(Cl)C=N1	REAL250004620332	0	30	-1.0	-46.68	285.69	0.19	-46.49
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C(Cl)C=N1	REAL250004620332	1	30	-1.0	-46.66	285.75	0.20	-46.46
CC1=NNC(C)=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620333	0	38	-1.0	-47.65	312.28	2.02	-45.63
CC1=NNC(C)=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620333	1	38	-1.0	-47.61	312.22	2.01	-45.60
CC(O)CN(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620334	0	37	-1.0	-56.87	313.20	1.66	-55.21
CC(O)CN(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620334	1	37	-1.0	-56.68	313.27	1.68	-55.00
CC(O)CN(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620335	0	34	-1.0	-38.82	295.53	-0.97	-39.79
CC(O)CN(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620335	1	34	-1.0	-38.79	295.60	-0.95	-39.74
O=C(CCCC1=N[N-]N=N1)NCC1(Br)CC1	REAL250004620336	0	29	-1.0	-44.69	269.60	2.80	-41.89
O=C(CCCC1=NN=N[N-]1)NCC1(Br)CC1	REAL250004620336	1	29	-1.0	-44.71	269.66	2.82	-41.89
CC(=O)C1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004620337	0	34	-1.0	-61.92	298.31	4.56	-57.36
CC(=O)C1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004620337	1	34	-1.0	-61.27	298.39	4.60	-56.67
CC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004620338	0	31	-1.0	-36.11	280.83	1.64	-34.47
CC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004620338	1	31	-1.0	-36.10	280.90	1.66	-34.44
O=C(NCC1COCO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620340	0	34	-1.0	-54.41	291.03	2.04	-52.37
O=C(NCC1COCO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620340	1	34	-1.0	-54.20	291.13	2.06	-52.14
O=C(NCC1COCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620341	0	31	-1.0	-37.78	277.25	-1.06	-38.84
O=C(NCC1COCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620341	1	31	-1.0	-37.76	277.32	-1.06	-38.82
O=C(CCCC1=N[N-]N=N1)NCCC(=O)NC1=NC=CN1	REAL250004620342	0	36	-1.0	-56.86	313.12	1.91	-54.95
O=C(CCCC1=NN=N[N-]1)NCCC(=O)NC1=NC=CN1	REAL250004620342	1	36	-1.0	-56.86	313.17	1.93	-54.93
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004620343	0	37	-1.0	-46.24	313.79	3.39	-42.85
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004620343	1	37	-1.0	-46.26	313.84	3.41	-42.85
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)C=CN1	REAL250004620344	0	32	-1.0	-58.78	283.59	1.02	-57.76
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)C=CN1	REAL250004620344	1	32	-1.0	-58.77	283.65	1.04	-57.73
O=C(NCC1=CC(=O)C=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620345	0	32	-1.0	-47.12	294.18	0.80	-46.32
O=C(NCC1=CC(=O)C=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620345	1	32	-1.0	-47.11	294.25	0.82	-46.29
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCCC1	REAL250004620346	0	42	-1.0	-46.77	340.00	3.26	-43.51
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCCC1	REAL250004620346	1	42	-1.0	-46.79	340.06	3.27	-43.52
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCC2)CCC1	REAL250004620347	0	42	-1.0	-46.05	322.14	5.21	-40.84
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCC2)CCC1	REAL250004620347	1	42	-1.0	-46.09	322.20	5.22	-40.87
CCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004620348	0	35	-1.0	-55.27	289.53	6.01	-49.26
CCC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004620348	1	35	-1.0	-55.64	289.05	6.01	-49.63
CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620349	0	32	-1.0	-36.72	277.21	3.49	-33.23
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620349	1	32	-1.0	-36.71	277.27	3.51	-33.20
CN(C)CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004620350	0	36	-1.0	-45.30	314.65	1.15	-44.15
CN(C)CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004620350	1	36	-1.0	-45.33	314.71	1.17	-44.16
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CCCC1	REAL250004620351	0	42	-1.0	-47.21	330.34	5.06	-42.15
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CCCC1	REAL250004620351	1	42	-1.0	-47.23	330.39	5.08	-42.15
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004620352	0	42	-1.0	-47.60	327.02	2.62	-44.98
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004620352	1	42	-1.0	-47.61	327.08	2.63	-44.98
O=C(CCCC1=N[N-]N=N1)N1CCCC1CCO	REAL250004620353	0	36	-1.0	-51.76	292.34	0.89	-50.87
O=C(CCCC1=NN=N[N-]1)N1CCCC1CCO	REAL250004620353	1	36	-1.0	-51.77	292.40	0.89	-50.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1CCO	REAL250004620354	0	36	-1.0	-39.69	298.54	1.14	-38.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1CCO	REAL250004620354	1	36	-1.0	-39.65	298.61	1.14	-38.51
CCNC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620356	0	38	-1.0	-48.20	310.01	0.48	-47.72
CCNC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620356	1	38	-1.0	-48.19	310.06	0.50	-47.69
CON1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620357	0	41	-1.0	-48.00	318.33	2.11	-45.89
CON1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620357	1	41	-1.0	-48.06	318.39	2.13	-45.93
O=C(CCCC1=N[N-]N=N1)NCCC1CC(F)(F)C1	REAL250004620358	0	35	-1.0	-49.14	302.11	3.48	-45.66
O=C(CCCC1=NN=N[N-]1)NCCC1CC(F)(F)C1	REAL250004620358	1	35	-1.0	-49.16	302.17	3.50	-45.66
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCC(=O)N1	REAL250004620359	0	36	-1.0	-51.43	299.13	-0.02	-51.45
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCC(=O)N1	REAL250004620359	1	36	-1.0	-51.42	299.19	-0.01	-51.43
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004620360	0	37	-1.0	-45.81	301.72	-0.44	-46.25
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004620360	1	37	-1.0	-45.83	301.78	-0.42	-46.25
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004620361	0	36	-1.0	-52.54	311.20	1.21	-51.33
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004620361	1	36	-1.0	-52.58	311.26	1.22	-51.36
CCON(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004620362	0	39	-1.0	-44.64	328.84	6.24	-38.40
CCON(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004620362	1	39	-1.0	-44.65	328.89	6.25	-38.40
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004620364	0	37	-1.0	-51.89	316.23	3.11	-48.78
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004620364	1	37	-1.0	-51.90	316.29	3.13	-48.77
CCC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004620365	0	38	-1.0	-48.92	318.06	6.52	-42.40
CCC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004620365	1	38	-1.0	-48.97	318.11	6.53	-42.44
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620366	0	36	-1.0	-56.88	299.32	2.11	-54.77
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620366	1	36	-1.0	-57.05	299.81	2.09	-54.96
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620367	0	33	-1.0	-37.70	284.93	-0.95	-38.65
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620367	1	33	-1.0	-37.73	285.00	-0.94	-38.67
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004620368	0	35	-1.0	-46.22	313.34	4.83	-41.39
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004620368	1	35	-1.0	-46.24	313.40	4.85	-41.39
CCC(C)(C)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620369	0	41	-1.0	-46.75	325.74	2.33	-44.42
CCC(C)(C)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620369	1	41	-1.0	-46.76	325.80	2.35	-44.41
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC[C@@H]1O	REAL250004620370	0	36	-1.0	-48.05	295.82	-0.18	-48.23
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC[C@@H]1O	REAL250004620370	1	36	-1.0	-48.03	295.88	-0.17	-48.20
O=C(NC[C@H]1CCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620371	0	36	-1.0	-36.77	306.42	-0.40	-37.17
O=C(NC[C@H]1CCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620371	1	36	-1.0	-36.75	306.48	-0.39	-37.14
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004620372	0	36	-1.0	-47.01	297.20	1.55	-45.46
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004620372	1	36	-1.0	-47.02	297.26	1.56	-45.46
CC1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004620373	0	36	-1.0	-37.05	307.79	1.34	-35.71
CC1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004620373	1	36	-1.0	-36.96	307.86	1.34	-35.62
O=C(NC1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620374	0	32	-1.0	-53.42	270.42	4.80	-48.62
O=C(NC1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620374	1	32	-1.0	-53.29	270.52	4.82	-48.47
CC(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620375	0	40	-1.0	-46.58	311.29	4.68	-41.90
CC(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620375	1	40	-1.0	-46.55	311.35	4.69	-41.86
CC(CC(C)(C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620376	0	40	-1.0	-35.47	321.86	4.48	-30.99
CC(CC(C)(C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620376	1	40	-1.0	-35.42	321.93	4.50	-30.92
O=C(NNC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620377	0	34	-1.0	-51.92	294.23	5.86	-46.06
O=C(NNC1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620377	1	34	-1.0	-51.79	294.72	5.84	-45.95
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620378	0	31	-1.0	-35.28	280.50	2.77	-32.51
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620378	1	31	-1.0	-35.24	280.56	2.77	-32.47
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004620379	0	35	-1.0	-46.24	313.30	4.83	-41.41
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004620379	1	35	-1.0	-46.24	313.36	4.85	-41.39
COC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620380	0	36	-1.0	-49.33	289.41	2.17	-47.16
COC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620380	1	36	-1.0	-49.39	289.47	2.18	-47.21
COC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620381	0	36	-1.0	-36.09	296.43	2.38	-33.71
COC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620381	1	36	-1.0	-36.05	296.50	2.38	-33.67
CC(C)C1(C)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004620382	0	38	-1.0	-46.52	300.80	3.75	-42.77
CC(C)C1(C)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004620382	1	38	-1.0	-46.55	300.86	3.76	-42.79
CC(C)C1(C)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620383	0	38	-1.0	-34.93	311.39	3.54	-31.39
CC(C)C1(C)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620383	1	38	-1.0	-34.89	311.45	3.54	-31.35
COCCNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620384	0	40	-1.0	-57.11	342.84	-0.66	-57.77
COCCNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620384	1	40	-1.0	-57.11	342.90	-0.65	-57.76
CO[C@@H]1COC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004620385	0	34	-1.0	-46.14	285.02	-0.56	-46.70
CO[C@@H]1COC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004620385	1	34	-1.0	-46.16	285.07	-0.54	-46.70
CO[C@@H]1COC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620386	0	34	-1.0	-36.04	295.58	-0.78	-36.82
CO[C@@H]1COC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620386	1	34	-1.0	-36.03	295.65	-0.76	-36.79
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC(F)=C2C1	REAL250004620387	0	33	-1.0	-46.72	288.30	5.08	-41.64
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(F)=C2C1	REAL250004620387	1	33	-1.0	-46.71	288.36	5.09	-41.62
CN(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004620388	0	39	-1.0	-49.76	324.11	2.69	-47.07
CN(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004620388	1	39	-1.0	-49.78	324.17	2.71	-47.07
CC1=CSC(NCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004620389	0	36	-1.0	-49.82	322.11	1.21	-48.61
CC1=CSC(NCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004620389	1	36	-1.0	-49.89	322.17	1.23	-48.66
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1C1CC1	REAL250004620390	0	45	-1.0	-46.80	342.49	5.53	-41.27
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1C1CC1	REAL250004620390	1	45	-1.0	-46.82	342.55	5.54	-41.28
COC(=O)C(F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620391	0	31	-1.0	-50.90	281.24	1.39	-49.51
COC(=O)C(F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620391	1	31	-1.0	-50.93	281.30	1.40	-49.53
COC(=O)C(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620392	0	31	-1.0	-38.73	291.83	1.17	-37.56
COC(=O)C(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620392	1	31	-1.0	-38.72	291.90	1.18	-37.54
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620393	0	38	-1.0	-52.94	315.48	6.22	-46.72
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620393	1	38	-1.0	-52.86	315.95	6.21	-46.65
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620394	0	35	-1.0	-34.97	301.73	3.10	-31.87
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620394	1	35	-1.0	-34.95	301.80	3.11	-31.84
O=C(CCCC1=N[N-]N=N1)N1C2CCC1COC2	REAL250004620395	0	34	-1.0	-47.44	273.81	2.55	-44.89
O=C(CCCC1=NN=N[N-]1)N1C2CCC1COC2	REAL250004620395	1	34	-1.0	-47.43	273.86	2.56	-44.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1COC2	REAL250004620396	0	34	-1.0	-35.87	280.42	2.77	-33.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1COC2	REAL250004620396	1	34	-1.0	-35.87	280.49	2.79	-33.08
CCC(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620397	0	35	-1.0	-51.61	296.85	1.67	-49.94
CCC(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620397	1	35	-1.0	-51.43	296.92	1.69	-49.74
CCC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620398	0	32	-1.0	-36.26	283.00	-1.48	-37.74
CCC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620398	1	32	-1.0	-36.27	283.07	-1.47	-37.74
CC1CCC(C)(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004620399	0	38	-1.0	-46.74	288.52	4.46	-42.28
CC1CCC(C)(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004620399	1	38	-1.0	-46.74	288.58	4.47	-42.27
CC1CCC(C)(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620400	0	38	-1.0	-36.66	293.55	5.65	-31.01
CC1CCC(C)(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620400	1	38	-1.0	-36.68	293.62	5.65	-31.03
O=C(CCCC1=N[N-]N=N1)NOCC1=CC=CC=N1	REAL250004620401	0	32	-1.0	-51.74	285.22	2.79	-48.95
O=C(CCCC1=NN=N[N-]1)NOCC1=CC=CC=N1	REAL250004620401	1	32	-1.0	-51.78	285.28	2.80	-48.98
O=C(NOCC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620402	0	32	-1.0	-38.25	295.81	2.58	-35.67
O=C(NOCC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620402	1	32	-1.0	-38.13	295.88	2.59	-35.54
COC1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004620403	0	40	-1.0	-49.74	324.28	2.85	-46.89
COC1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004620403	1	40	-1.0	-49.80	324.33	2.87	-46.93
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)C1	REAL250004620405	0	38	-1.0	-47.46	299.10	4.63	-42.83
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)C1	REAL250004620405	1	38	-1.0	-47.48	299.16	4.65	-42.83
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(C)(C)C1	REAL250004620406	0	38	-1.0	-35.35	306.66	5.04	-30.31
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(C)(C)C1	REAL250004620406	1	38	-1.0	-35.31	306.72	5.06	-30.25
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620407	0	39	-1.0	-46.44	321.73	2.58	-43.86
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620407	1	39	-1.0	-46.51	321.79	2.59	-43.92
CCO[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620408	0	36	-1.0	-46.49	301.35	1.83	-44.66
CCO[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620408	1	36	-1.0	-46.49	301.40	1.85	-44.64
CCO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004620409	0	36	-1.0	-36.06	311.96	1.62	-34.44
CCO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004620409	1	36	-1.0	-36.07	312.03	1.63	-34.44
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004620410	0	37	-1.0	-48.61	312.72	2.80	-45.81
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004620410	1	37	-1.0	-48.57	312.77	2.81	-45.76
O=C(CCCC1=N[N-]N=N1)NCCC1CC2CCC1O2	REAL250004620411	0	40	-1.0	-47.58	318.14	2.40	-45.18
O=C(CCCC1=NN=N[N-]1)NCCC1CC2CCC1O2	REAL250004620411	1	40	-1.0	-47.58	318.19	2.42	-45.16
CC(C)(CC#N)CNC(=O)CCCC1=N[N-]N=N1	REAL250004620412	0	35	-1.0	-49.08	293.59	2.88	-46.20
CC(C)(CC#N)CNC(=O)CCCC1=NN=N[N-]1	REAL250004620412	1	35	-1.0	-49.09	293.65	2.90	-46.19
CC(C)(CC#N)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620413	0	38	-1.0	-53.86	318.34	5.76	-48.10
CC(C)(CC#N)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620413	1	38	-1.0	-53.69	318.40	5.79	-47.90
CC(C)(CC#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620414	0	35	-1.0	-40.12	304.18	2.68	-37.44
CC(C)(CC#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620414	1	35	-1.0	-40.10	304.25	2.69	-37.41
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004620415	0	36	-1.0	-49.00	312.21	4.92	-44.08
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004620415	1	36	-1.0	-48.98	312.27	4.94	-44.04
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL250004620416	0	34	-1.0	-46.74	297.98	2.60	-44.14
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL250004620416	1	34	-1.0	-46.71	297.92	2.58	-44.13
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004620417	0	38	-1.0	-46.95	318.00	4.98	-41.97
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004620417	1	38	-1.0	-46.97	318.05	4.99	-41.98
CC(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004620418	0	38	-1.0	-46.49	312.82	4.11	-42.38
CC(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004620418	1	38	-1.0	-46.47	312.88	4.13	-42.34
CC(C)C[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620419	0	38	-1.0	-34.86	323.41	3.91	-30.95
CC(C)C[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620419	1	38	-1.0	-34.86	323.48	3.91	-30.95
O=C(CCCC1=N[N-]N=N1)NC1(C2CCC2)CCC1	REAL250004620420	0	39	-1.0	-44.71	299.80	4.74	-39.97
O=C(CCCC1=NN=N[N-]1)NC1(C2CCC2)CCC1	REAL250004620420	1	39	-1.0	-44.75	299.86	4.75	-40.00
O=C(NC1(C2CCC2)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620421	0	39	-1.0	-34.72	310.37	4.51	-30.21
O=C(NC1(C2CCC2)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620421	1	39	-1.0	-34.72	310.44	4.51	-30.21
CCC1(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004620422	0	42	-1.0	-47.57	340.02	6.65	-40.92
CCC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004620422	1	42	-1.0	-47.62	340.07	6.66	-40.96
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)F	REAL250004620423	0	31	-1.0	-54.31	276.62	4.41	-49.90
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)F	REAL250004620423	1	31	-1.0	-54.12	276.69	4.43	-49.69
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004620424	0	28	-1.0	-36.15	262.46	1.30	-34.85
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004620424	1	28	-1.0	-36.14	262.53	1.32	-34.82
C=COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004620425	0	34	-1.0	-48.39	294.63	3.66	-44.73
C=COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004620425	1	34	-1.0	-48.44	294.68	3.67	-44.77
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CN=C1Cl	REAL250004620426	0	30	-1.0	-51.28	279.41	1.70	-49.58
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CN=C1Cl	REAL250004620426	1	30	-1.0	-51.27	279.46	1.71	-49.56
CCCC(O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004620427	0	39	-1.0	-46.38	317.56	-0.86	-47.24
CCCC(O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004620427	1	39	-1.0	-46.36	317.62	-0.84	-47.20
O=C(CCCC1=N[N-]N=N1)N1CC(O)C(CO)C1	REAL250004620428	0	34	-1.0	-53.66	285.28	-3.22	-56.88
O=C(CCCC1=NN=N[N-]1)N1CC(O)C(CO)C1	REAL250004620428	1	34	-1.0	-53.66	285.34	-3.21	-56.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)C(CO)C1	REAL250004620429	0	34	-1.0	-39.50	291.15	-2.88	-42.38
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)C(CO)C1	REAL250004620429	1	34	-1.0	-39.52	291.21	-2.88	-42.40
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004620430	0	40	-1.0	-49.91	335.94	2.43	-47.48
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004620430	1	40	-1.0	-49.95	336.00	2.44	-47.51
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2COC[C@@H]21	REAL250004620431	0	37	-1.0	-47.99	287.83	2.80	-45.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2COC[C@@H]21	REAL250004620431	1	37	-1.0	-48.04	287.89	2.82	-45.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OC(F)F	REAL250004620432	0	33	-1.0	-48.44	290.77	3.05	-45.39
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OC(F)F	REAL250004620432	1	33	-1.0	-48.43	290.83	3.07	-45.36
CCON(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004620433	0	45	-1.0	-43.65	349.96	6.44	-37.21
CCON(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004620433	1	45	-1.0	-43.67	350.02	6.46	-37.21
C#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004620434	0	33	-1.0	-46.33	293.84	2.58	-43.75
C#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004620434	1	33	-1.0	-46.38	293.89	2.59	-43.79
COC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004620435	0	39	-1.0	-46.81	309.45	2.57	-44.24
COC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004620435	1	39	-1.0	-46.82	309.50	2.59	-44.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=C1	REAL250004620436	0	35	-1.0	-48.75	301.49	2.07	-46.68
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=C1	REAL250004620436	1	35	-1.0	-48.78	301.54	2.08	-46.70
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=C1	REAL250004620437	0	35	-1.0	-40.10	312.08	1.86	-38.24
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=C1	REAL250004620437	1	35	-1.0	-40.09	312.15	1.87	-38.22
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004620438	0	39	-1.0	-52.73	311.83	7.01	-45.72
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004620438	1	39	-1.0	-52.54	311.92	7.01	-45.53
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620439	0	36	-1.0	-35.02	299.56	3.56	-31.46
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620439	1	36	-1.0	-35.04	299.63	3.58	-31.46
NC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004620440	0	37	-1.0	-53.08	312.37	-0.94	-54.02
NC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004620440	1	37	-1.0	-53.12	312.43	-0.92	-54.04
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004620441	0	31	-1.0	-47.66	276.49	-0.94	-48.60
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004620441	1	31	-1.0	-47.73	276.55	-0.92	-48.65
CC1=NC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL250004620442	0	34	-1.0	-52.28	300.87	1.96	-50.32
CC1=NC=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL250004620442	1	34	-1.0	-52.10	300.97	1.98	-50.12
CC1=NC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004620443	0	31	-1.0	-37.85	287.09	-1.15	-39.00
CC1=NC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004620443	1	31	-1.0	-37.88	287.15	-1.15	-39.03
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004620444	0	31	-1.0	-42.53	269.13	2.13	-40.40
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004620444	1	31	-1.0	-42.51	269.19	2.15	-40.36
COC(=O)C(C)(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004620445	0	35	-1.0	-46.12	296.61	-1.32	-47.44
COC(=O)C(C)(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004620445	1	35	-1.0	-46.09	296.67	-1.31	-47.40
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004620446	0	34	-1.0	-49.33	298.62	2.57	-46.76
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004620446	1	34	-1.0	-49.30	298.67	2.59	-46.71
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NO1	REAL250004620447	0	29	-1.0	-44.87	271.97	3.10	-41.77
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NO1	REAL250004620447	1	29	-1.0	-44.86	272.03	3.09	-41.77
CC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004620448	0	33	-1.0	-48.00	293.56	5.68	-42.32
CC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004620448	1	33	-1.0	-47.98	293.63	5.67	-42.31
CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620449	0	30	-1.0	-50.06	271.35	2.94	-47.12
CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620449	1	30	-1.0	-50.07	271.41	2.93	-47.14
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=N1	REAL250004620450	0	29	-1.0	-47.24	268.59	3.29	-43.95
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=N1	REAL250004620450	1	29	-1.0	-47.27	268.53	3.29	-43.98
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC2C=CC1C2	REAL250004620451	0	35	-1.0	-45.84	294.38	5.44	-40.40
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC2C=CC1C2	REAL250004620451	1	35	-1.0	-45.81	294.47	5.44	-40.37
CC(C)=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620452	0	30	-1.0	-45.60	266.05	4.02	-41.58
CC(C)=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620452	1	30	-1.0	-45.56	266.12	4.02	-41.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COCCO1	REAL250004620453	0	30	-1.0	-51.26	269.48	2.56	-48.70
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COCCO1	REAL250004620453	1	30	-1.0	-51.26	269.54	2.56	-48.70
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1	REAL250004620454	0	30	-1.0	-47.78	271.34	5.01	-42.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL250004620454	1	30	-1.0	-47.74	271.41	5.00	-42.74
CC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620455	0	32	-1.0	-46.01	275.00	4.07	-41.94
CC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620455	1	32	-1.0	-45.99	275.06	4.06	-41.93
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCCC1	REAL250004620456	0	36	-1.0	-45.76	298.18	5.26	-40.50
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCCC1	REAL250004620456	1	36	-1.0	-45.73	298.25	5.26	-40.47
CC(=O)NCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620457	0	33	-1.0	-57.49	297.28	1.03	-56.46
CC(=O)NCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620457	1	33	-1.0	-57.50	297.35	1.02	-56.48
CC(C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620458	0	35	-1.0	-46.21	297.34	4.77	-41.44
CC(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620458	1	35	-1.0	-46.18	297.40	4.76	-41.42
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCO1	REAL250004620459	0	31	-1.0	-50.84	272.08	3.21	-47.63
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCO1	REAL250004620459	1	31	-1.0	-50.80	272.15	3.20	-47.60
CSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620460	0	27	-1.0	-49.00	259.84	3.13	-45.87
CSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620460	1	27	-1.0	-49.01	259.90	3.13	-45.88
CSCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620461	0	30	-1.0	-44.48	281.51	3.94	-40.54
CSCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620461	1	30	-1.0	-44.43	281.57	3.95	-40.48
CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL250004620462	0	30	-1.0	-45.75	277.46	3.85	-41.90
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL250004620462	1	30	-1.0	-45.78	277.52	3.84	-41.94
CC(=O)NC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620463	0	33	-1.0	-45.42	293.66	1.21	-44.21
CC(=O)NC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620463	1	33	-1.0	-45.34	293.72	1.20	-44.14
CC(NC(N)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620464	0	32	-1.0	-46.19	286.88	-1.56	-47.75
CC(NC(N)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620464	1	32	-1.0	-46.17	286.94	-1.57	-47.74
CC(=O)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620465	0	31	-1.0	-44.72	281.47	3.38	-41.34
CC(=O)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620465	1	31	-1.0	-44.67	281.54	3.38	-41.29
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CS1	REAL250004620466	0	27	-1.0	-46.32	263.47	4.02	-42.30
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CS1	REAL250004620466	1	27	-1.0	-46.26	263.54	4.01	-42.25
CC1=CN=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL250004620467	0	31	-1.0	-46.47	285.80	2.05	-44.42
CC1=CN=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL250004620467	1	31	-1.0	-46.43	285.86	2.04	-44.39
CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL250004620468	0	33	-1.0	-47.59	292.73	5.69	-41.90
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL250004620468	1	33	-1.0	-47.51	293.62	5.69	-41.82
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CO1	REAL250004620469	0	27	-1.0	-46.38	255.55	3.02	-43.36
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CO1	REAL250004620469	1	27	-1.0	-46.34	255.61	3.02	-43.32
CC(=O)NCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620470	0	30	-1.0	-44.96	275.15	0.40	-44.56
CC(=O)NCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620470	1	30	-1.0	-44.95	275.21	0.39	-44.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)F	REAL250004620471	0	23	-1.0	-45.94	229.10	2.19	-43.75
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)F	REAL250004620471	1	23	-1.0	-45.90	229.16	2.17	-43.73
O=C(C=CC1=CC=CO1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620472	0	31	-1.0	-46.82	288.46	4.41	-42.41
O=C(C=CC1=CC=CO1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620472	1	31	-1.0	-46.74	288.53	4.40	-42.34
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC(=O)N1	REAL250004620473	0	31	-1.0	-54.81	279.06	0.61	-54.20
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC(=O)N1	REAL250004620473	1	31	-1.0	-54.80	279.13	0.60	-54.20
COCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620474	0	27	-1.0	-49.89	249.50	1.98	-47.91
COCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620474	1	27	-1.0	-49.89	249.56	1.97	-47.92
CC1CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620475	0	30	-1.0	-46.30	268.66	4.15	-42.15
CC1CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620475	1	30	-1.0	-46.27	268.72	4.14	-42.13
CC=CC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620476	0	31	-1.0	-46.41	284.67	4.75	-41.66
CC=CC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620476	1	31	-1.0	-46.41	284.73	4.75	-41.66
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC1	REAL250004620477	0	30	-1.0	-46.23	263.50	3.99	-42.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC1	REAL250004620477	1	30	-1.0	-46.19	263.57	3.98	-42.21
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCC1	REAL250004620478	0	33	-1.0	-46.12	279.84	4.59	-41.53
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC1	REAL250004620478	1	33	-1.0	-46.12	279.90	4.58	-41.54
CC1=CC=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620479	0	33	-1.0	-46.61	287.08	5.67	-40.94
CC1=CC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620479	1	33	-1.0	-46.55	287.15	5.67	-40.88
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NC=C1	REAL250004620480	0	29	-1.0	-46.36	266.58	3.24	-43.12
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NC=C1	REAL250004620480	1	29	-1.0	-46.42	266.52	3.25	-43.17
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CC(=O)CCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620486	0	34	-1.0	-57.21	302.97	4.17	-53.04
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CC1=NOC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004620488	1	29	-1.0	-42.26	272.05	3.03	-39.23
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CN1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL250004620489	1	30	-1.0	-47.48	276.38	2.76	-44.72
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NC(=O)NCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620490	1	32	-1.0	-57.89	290.57	-1.78	-59.67
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)OC=C1	REAL250004620491	0	30	-1.0	-46.09	274.27	3.71	-42.38
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)OC=C1	REAL250004620491	1	30	-1.0	-46.04	274.34	3.70	-42.34
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O=C(CN1C=CC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620496	0	30	-1.0	-56.36	276.23	3.12	-53.24
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CC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620498	0	32	-1.0	-46.05	274.43	3.92	-42.13
CC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620498	1	32	-1.0	-46.01	274.49	3.91	-42.10
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CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL250004620500	0	32	-1.0	-46.13	287.92	3.85	-42.28
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL250004620500	1	32	-1.0	-46.06	288.81	3.86	-42.20
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CN1C=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620501	1	31	-1.0	-46.37	277.35	4.45	-41.92
CCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620502	0	32	-1.0	-46.37	279.77	4.25	-42.12
CCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620502	1	32	-1.0	-46.37	279.83	4.24	-42.13
CCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620503	0	35	-1.0	-46.29	301.27	5.03	-41.26
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CC(C)(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620504	0	35	-1.0	-45.23	289.97	4.58	-40.65
CC(C)(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620504	1	35	-1.0	-45.20	290.03	4.58	-40.62
CCCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620505	0	38	-1.0	-46.42	322.77	5.81	-40.61
CCCCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620505	1	38	-1.0	-46.37	322.83	5.81	-40.56
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CC(C)SCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620506	1	33	-1.0	-48.65	299.64	4.65	-44.00
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CCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620509	0	32	-1.0	-46.09	273.89	4.01	-42.08
CCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620509	1	32	-1.0	-46.08	273.95	4.00	-42.08
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CC(C)OCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620513	0	36	-1.0	-44.96	312.57	3.49	-41.47
CC(C)OCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620513	1	36	-1.0	-44.93	312.64	3.48	-41.45
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COC(=O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620515	0	29	-1.0	-55.57	268.72	3.56	-52.01
COC(=O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620515	1	29	-1.0	-55.54	268.79	3.56	-51.98
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CC(=O)N(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620517	0	33	-1.0	-53.94	294.63	2.79	-51.15
CC(=O)N(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620517	1	33	-1.0	-53.91	294.69	2.78	-51.13
CCC(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620518	0	35	-1.0	-46.71	289.95	4.56	-42.15
CCC(CC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620518	1	35	-1.0	-46.66	290.01	4.55	-42.11
CC1=NNC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620519	0	30	-1.0	-50.02	271.61	2.05	-47.97
CC1=NNC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620519	1	30	-1.0	-50.07	271.54	2.06	-48.01
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CCOCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620521	0	36	-1.0	-49.52	313.80	3.51	-46.01
CCOCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620521	1	36	-1.0	-49.50	313.86	3.50	-46.00
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O=C(CC1CCCO1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620523	1	34	-1.0	-50.51	292.86	3.57	-46.94
CC1=CNC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620524	0	31	-1.0	-52.81	277.30	3.55	-49.26
CC1=CNC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620524	1	31	-1.0	-52.73	278.19	3.54	-49.19
CSC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620525	0	30	-1.0	-49.16	277.46	3.71	-45.45
CSC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620525	1	30	-1.0	-49.16	277.52	3.69	-45.47
CCOC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620526	0	33	-1.0	-50.12	290.70	3.61	-46.51
CCOC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620526	1	33	-1.0	-50.08	290.76	3.60	-46.48
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CNN=C1	REAL250004620527	0	27	-1.0	-46.67	253.44	1.45	-45.22
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CNN=C1	REAL250004620527	1	27	-1.0	-46.65	253.51	1.44	-45.21
CCOC(=O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620528	0	32	-1.0	-55.33	290.58	4.48	-50.85
CCOC(=O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620528	1	32	-1.0	-55.30	290.64	4.46	-50.84
CC(C)(C#N)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620529	0	30	-1.0	-52.63	273.82	3.49	-49.14
CC(C)(C#N)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620529	1	30	-1.0	-52.59	273.88	3.48	-49.11
COCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620531	0	33	-1.0	-49.43	291.95	2.54	-46.89
COCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620531	1	33	-1.0	-49.37	292.01	2.53	-46.84
CC(F)(F)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620532	0	32	-1.0	-43.78	290.89	4.38	-39.40
CC(F)(F)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620532	1	32	-1.0	-43.81	290.96	4.37	-39.44
CC1=NC=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620533	0	31	-1.0	-44.02	277.78	3.69	-40.33
CC1=NC=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620533	1	31	-1.0	-43.98	277.85	3.68	-40.30
C=CCSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620534	0	31	-1.0	-49.03	294.12	4.59	-44.44
C=CCSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620534	1	31	-1.0	-48.97	294.17	4.59	-44.38
CCOC1CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620535	0	34	-1.0	-44.62	302.03	3.38	-41.24
CCOC1CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620535	1	34	-1.0	-44.57	302.09	3.37	-41.20
CC1=NC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004620536	0	31	-1.0	-43.95	286.25	3.05	-40.90
CC1=NC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004620536	1	31	-1.0	-43.88	285.47	3.03	-40.85
CCSCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620537	0	33	-1.0	-44.52	302.97	4.83	-39.69
CCSCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620537	1	33	-1.0	-44.46	303.04	4.82	-39.64
COC(=O)NCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620538	0	31	-1.0	-45.56	286.27	-0.19	-45.75
COC(=O)NCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620538	1	31	-1.0	-45.57	286.34	-0.20	-45.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NSN=C1	REAL250004620539	0	25	-1.0	-42.46	253.17	0.97	-41.49
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NSN=C1	REAL250004620539	1	25	-1.0	-42.48	253.11	0.97	-41.51
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=NS1	REAL250004620540	0	25	-1.0	-43.58	253.67	1.60	-41.98
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=NS1	REAL250004620540	1	25	-1.0	-43.60	253.61	1.61	-41.99
CCCSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620541	0	33	-1.0	-48.73	302.80	4.82	-43.91
CCCSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620541	1	33	-1.0	-48.72	302.86	4.82	-43.90
CC(=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004620542	0	34	-1.0	-45.12	293.91	5.48	-39.64
CC(=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004620542	1	34	-1.0	-45.12	293.97	5.47	-39.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NOC=C1	REAL250004620543	0	26	-1.0	-46.16	250.92	2.26	-43.90
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NOC=C1	REAL250004620543	1	26	-1.0	-46.22	250.86	2.26	-43.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=CS1	REAL250004620544	0	26	-1.0	-46.70	259.39	2.16	-44.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=CS1	REAL250004620544	1	26	-1.0	-46.71	259.32	2.17	-44.54
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NN1	REAL250004620545	0	30	-1.0	-47.76	276.07	2.02	-45.74
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1	REAL250004620545	1	30	-1.0	-47.74	276.13	2.01	-45.73
O=C(C=C1CCCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620546	0	34	-1.0	-46.62	291.33	5.31	-41.31
O=C(C=C1CCCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620546	1	34	-1.0	-46.56	291.40	5.29	-41.27
COC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620547	0	30	-1.0	-49.63	268.10	2.66	-46.97
COC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620547	1	30	-1.0	-49.55	268.15	2.66	-46.89
CCC=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620548	0	33	-1.0	-46.47	285.35	4.78	-41.69
CCC=C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620548	1	33	-1.0	-46.43	285.41	4.77	-41.66
CCCC(C)=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620549	0	36	-1.0	-44.96	309.32	5.58	-39.38
CCCC(C)=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620549	1	36	-1.0	-44.91	309.39	5.57	-39.34
CCOC(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620550	0	36	-1.0	-49.35	305.81	4.27	-45.08
CCOC(CC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620550	1	36	-1.0	-49.32	305.88	4.27	-45.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCOC1	REAL250004620551	0	31	-1.0	-45.15	269.87	1.98	-43.17
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCOC1	REAL250004620551	1	31	-1.0	-45.42	270.76	1.98	-43.44
CS(=O)(=O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620552	0	29	-1.0	-65.60	278.30	-0.31	-65.91
CS(=O)(=O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620552	1	29	-1.0	-65.57	278.37	-0.32	-65.89
COC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620553	0	30	-1.0	-49.63	268.10	2.66	-46.97
COC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620553	1	30	-1.0	-49.55	268.15	2.66	-46.89
CC(C)OCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620554	0	33	-1.0	-50.11	291.62	3.67	-46.44
CC(C)OCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620554	1	33	-1.0	-50.11	291.69	3.67	-46.44
CC(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004620555	0	36	-1.0	-45.74	303.84	5.52	-40.22
CC(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004620555	1	36	-1.0	-45.70	303.90	5.52	-40.18
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=CO1	REAL250004620556	0	29	-1.0	-45.23	268.39	0.41	-44.82
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=CO1	REAL250004620556	1	29	-1.0	-45.20	268.33	0.42	-44.78
C=CCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620557	0	34	-1.0	-49.96	305.66	4.30	-45.66
C=CCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620557	1	34	-1.0	-49.98	305.72	4.29	-45.69
CCN(CC)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620558	0	37	-1.0	-47.07	301.16	2.38	-44.69
CCN(CC)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620558	1	37	-1.0	-47.01	301.22	2.37	-44.64
CN1N=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620559	0	30	-1.0	-46.41	269.57	2.93	-43.48
CN1N=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620559	1	30	-1.0	-46.44	269.50	2.93	-43.51
CC(C)N(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620560	0	37	-1.0	-46.64	302.29	2.19	-44.45
CC(C)N(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620560	1	37	-1.0	-46.63	302.35	2.18	-44.45
O=C(CC(F)(F)F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620561	0	26	-1.0	-49.56	253.36	3.12	-46.44
O=C(CC(F)(F)F)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620561	1	26	-1.0	-49.55	253.43	3.11	-46.44
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CNC(=O)C1	REAL250004620562	0	31	-1.0	-47.45	276.49	0.28	-47.17
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CNC(=O)C1	REAL250004620562	1	31	-1.0	-47.38	276.56	0.27	-47.11
CCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620563	0	33	-1.0	-49.95	292.85	3.74	-46.21
CCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620563	1	33	-1.0	-49.91	292.91	3.73	-46.18
COCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620564	0	36	-1.0	-46.64	313.44	3.32	-43.32
COCCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620564	1	36	-1.0	-46.57	313.51	3.32	-43.25
NC(=O)CCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620565	0	33	-1.0	-59.44	295.96	0.32	-59.12
NC(=O)CCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620565	1	33	-1.0	-59.43	296.02	0.31	-59.12
CCC(OC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620567	0	33	-1.0	-49.38	285.73	3.38	-46.00
CCC(OC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620567	1	33	-1.0	-49.38	285.79	3.37	-46.01
CCC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620568	0	35	-1.0	-46.40	288.65	4.42	-41.98
CCC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620568	1	35	-1.0	-46.38	288.72	4.41	-41.97
COC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620569	0	33	-1.0	-47.38	289.58	3.24	-44.14
COC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620569	1	33	-1.0	-47.35	289.65	3.23	-44.12
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCC1	REAL250004620570	0	36	-1.0	-46.76	297.34	5.16	-41.60
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCC1	REAL250004620570	1	36	-1.0	-46.75	297.40	5.16	-41.59
CCCC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620571	0	38	-1.0	-46.07	313.89	5.48	-40.59
CCCC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620571	1	38	-1.0	-45.96	314.79	5.48	-40.48
C=CCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620572	0	30	-1.0	-46.07	271.09	4.03	-42.04
C=CCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620572	1	30	-1.0	-46.02	271.15	4.03	-41.99
CCOCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620573	0	33	-1.0	-44.90	292.30	2.74	-42.16
CCOCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620573	1	33	-1.0	-44.90	292.37	2.74	-42.16
COCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620574	0	30	-1.0	-44.95	270.45	1.78	-43.17
COCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620574	1	30	-1.0	-44.96	270.51	1.78	-43.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCOC1	REAL250004620575	0	34	-1.0	-44.86	287.94	2.86	-42.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCOC1	REAL250004620575	1	34	-1.0	-44.83	287.99	2.85	-41.98
NC(=O)C1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620576	0	31	-1.0	-42.62	283.28	0.04	-42.58
NC(=O)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620576	1	31	-1.0	-42.56	283.34	0.03	-42.53
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=N1	REAL250004620577	0	26	-1.0	-46.82	258.65	2.00	-44.82
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=N1	REAL250004620577	1	26	-1.0	-46.87	258.58	2.01	-44.86
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COCC1	REAL250004620578	0	29	-1.0	-46.40	262.65	2.55	-43.85
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COCC1	REAL250004620578	1	29	-1.0	-46.35	262.71	2.54	-43.81
CCC(=O)NCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620579	0	33	-1.0	-44.58	295.74	1.21	-43.37
CCC(=O)NCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620579	1	33	-1.0	-44.58	295.80	1.20	-43.38
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CNC=C1	REAL250004620580	0	28	-1.0	-49.00	258.83	2.88	-46.12
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CNC=C1	REAL250004620580	1	28	-1.0	-48.97	259.73	2.87	-46.10
CN(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620581	0	31	-1.0	-46.90	270.28	1.04	-45.86
CN(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620581	1	31	-1.0	-46.90	270.34	1.03	-45.87
CN1C=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004620582	0	30	-1.0	-49.71	277.01	2.79	-46.92
CN1C=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004620582	1	30	-1.0	-49.73	276.95	2.80	-46.93
COCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620583	0	34	-1.0	-52.92	304.97	2.18	-50.74
COCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620583	1	34	-1.0	-52.86	305.04	2.18	-50.68
CCCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620584	0	35	-1.0	-46.11	294.90	4.75	-41.36
CCCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620584	1	35	-1.0	-46.13	294.95	4.75	-41.38
CC1=NON=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620585	0	28	-1.0	-39.14	265.53	2.25	-36.89
CC1=NON=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620585	1	28	-1.0	-39.10	265.59	2.24	-36.86
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CNC=N1	REAL250004620586	0	27	-1.0	-49.16	254.25	2.53	-46.63
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CNC=N1	REAL250004620586	1	27	-1.0	-49.11	254.31	2.52	-46.59
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COC=N1	REAL250004620587	0	26	-1.0	-46.15	251.23	-0.41	-46.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COC=N1	REAL250004620587	1	26	-1.0	-46.17	250.34	-0.41	-46.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1CCC(=O)N1	REAL250004620588	0	31	-1.0	-53.92	278.29	0.61	-53.31
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1CCC(=O)N1	REAL250004620588	1	31	-1.0	-53.89	278.35	0.60	-53.29
CCCN(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620589	0	37	-1.0	-46.81	309.75	2.58	-44.23
CCCN(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620589	1	37	-1.0	-46.75	309.81	2.57	-44.18
CC(C#N)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620590	0	27	-1.0	-53.28	254.70	2.97	-50.31
CC(C#N)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620590	1	27	-1.0	-53.23	254.76	2.97	-50.26
CC1=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CN1	REAL250004620592	0	30	-1.0	-48.41	276.24	2.38	-46.03
CC1=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CN1	REAL250004620592	1	30	-1.0	-48.33	276.29	2.37	-45.96
COCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620593	0	33	-1.0	-44.54	288.11	2.47	-42.07
COCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620593	1	33	-1.0	-44.48	288.17	2.46	-42.02
C=CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620594	0	31	-1.0	-50.52	284.25	3.51	-47.01
C=CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620594	1	31	-1.0	-50.45	284.32	3.50	-46.95
CCCCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620595	0	36	-1.0	-50.04	314.35	4.52	-45.52
CCCCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620595	1	36	-1.0	-50.02	314.41	4.51	-45.51
CC(C)(C)C(=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620596	0	34	-1.0	-39.96	293.23	3.78	-36.18
CC(C)(C)C(=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620596	1	34	-1.0	-39.88	293.29	3.77	-36.11
CC1=NC=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620597	0	32	-1.0	-47.41	282.34	3.89	-43.52
CC1=NC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620597	1	32	-1.0	-47.38	282.40	3.88	-43.50
CSCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620598	0	33	-1.0	-44.05	298.36	4.50	-39.55
CSCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620598	1	33	-1.0	-44.02	298.43	4.49	-39.53
CC1=CC=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620599	0	32	-1.0	-45.23	282.73	3.92	-41.31
CC1=CC=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620599	1	32	-1.0	-45.21	282.79	3.91	-41.30
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CC(C)C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620601	0	35	-1.0	-45.62	290.15	4.57	-41.05
CC(C)C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620601	1	35	-1.0	-45.56	290.21	4.56	-41.00
CC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)(C)C	REAL250004620602	0	38	-1.0	-45.16	301.69	4.94	-40.22
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)(C)C	REAL250004620602	1	38	-1.0	-45.15	301.75	4.93	-40.22
COC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620603	0	33	-1.0	-50.30	280.44	3.14	-47.16
COC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620603	1	33	-1.0	-50.27	280.51	3.13	-47.14
O=C(CC1=CC=CN=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620604	0	32	-1.0	-49.54	290.85	3.90	-45.64
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CN1CCCC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620605	0	35	-1.0	-48.60	297.59	2.17	-46.43
CN1CCCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620605	1	35	-1.0	-48.55	297.65	2.17	-46.38
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CC(C)(C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620607	0	38	-1.0	-46.05	313.50	5.16	-40.89
CC(C)(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620607	1	38	-1.0	-46.05	313.57	5.15	-40.90
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O=C(CC1=NNC=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620611	0	30	-1.0	-54.34	275.04	2.14	-52.20
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O=C(CC1CCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620613	0	33	-1.0	-47.01	283.85	4.77	-42.24
O=C(CC1CCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620613	1	33	-1.0	-46.98	283.91	4.76	-42.22
CCC(C)(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620614	0	38	-1.0	-45.15	304.19	5.07	-40.08
CCC(C)(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620614	1	38	-1.0	-45.11	304.25	5.06	-40.05
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CN(C)C(=O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620616	0	33	-1.0	-60.89	291.04	3.57	-57.32
CN(C)C(=O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620616	1	33	-1.0	-60.84	291.10	3.56	-57.28
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CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620618	0	33	-1.0	-46.92	289.50	4.67	-42.25
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620618	1	33	-1.0	-46.84	289.57	4.66	-42.18
CC1=CN=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004620619	0	32	-1.0	-46.01	287.84	3.87	-42.14
CC1=CN=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004620619	1	32	-1.0	-46.02	287.78	3.87	-42.15
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)OC=N1	REAL250004620620	0	29	-1.0	-45.47	268.32	0.34	-45.13
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)OC=N1	REAL250004620620	1	29	-1.0	-45.46	268.37	0.33	-45.13
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CC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004620622	0	33	-1.0	-45.89	285.69	4.84	-41.05
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004620622	1	33	-1.0	-45.87	285.75	4.83	-41.04
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N#CC1=CNC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004620623	1	29	-1.0	-52.16	279.59	3.26	-48.90
CC1=CC=CN=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620624	0	32	-1.0	-46.26	285.09	3.96	-42.30
CC1=CC=CN=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620624	1	32	-1.0	-46.29	285.02	3.97	-42.32
CC=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620625	0	30	-1.0	-46.79	265.01	3.99	-42.80
CC=C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620625	1	30	-1.0	-46.74	265.07	3.98	-42.76
CC(C)=C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620626	0	33	-1.0	-45.87	280.46	4.71	-41.16
CC(C)=C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620626	1	33	-1.0	-45.83	280.53	4.70	-41.13
CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004620627	0	36	-1.0	-47.14	300.15	4.97	-42.17
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004620627	1	36	-1.0	-47.11	300.22	4.96	-42.15
CSC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620628	0	28	-1.0	-45.05	271.55	3.63	-41.42
CSC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620628	1	28	-1.0	-45.01	271.61	3.62	-41.39
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CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=CN1	REAL250004620630	0	31	-1.0	-48.49	276.79	3.45	-45.04
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=CN1	REAL250004620630	1	31	-1.0	-48.49	277.68	3.44	-45.05
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004620631	0	33	-1.0	-46.46	280.09	4.52	-41.94
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004620631	1	33	-1.0	-46.37	280.15	4.51	-41.86
C=CCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620632	0	33	-1.0	-46.74	292.58	4.81	-41.93
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CCCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620634	0	36	-1.0	-46.93	309.73	5.49	-41.44
CCCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620634	1	36	-1.0	-46.95	309.78	5.47	-41.48
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CN1C=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004620636	0	31	-1.0	-49.36	281.37	4.61	-44.75
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COCC(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620638	0	36	-1.0	-48.87	307.10	3.17	-45.70
COCC(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620638	1	36	-1.0	-48.74	308.00	3.17	-45.57
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCO1	REAL250004620639	0	34	-1.0	-44.47	289.86	2.91	-41.56
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCO1	REAL250004620639	1	34	-1.0	-45.00	290.78	2.91	-42.09
CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)COC1	REAL250004620640	0	34	-1.0	-45.68	289.22	2.71	-42.97
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)COC1	REAL250004620640	1	34	-1.0	-45.64	289.29	2.70	-42.94
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CCC1(C)CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620642	0	36	-1.0	-46.12	300.95	5.29	-40.83
CCC1(C)CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620642	1	36	-1.0	-46.11	301.01	5.28	-40.83
CCCC(C)(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620643	0	36	-1.0	-43.44	304.86	1.58	-41.86
CCCC(C)(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620643	1	36	-1.0	-43.39	304.92	1.58	-41.81
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CCC(=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)CC	REAL250004620645	0	36	-1.0	-44.83	305.94	5.51	-39.32
CCC(=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC	REAL250004620645	1	36	-1.0	-44.76	306.01	5.50	-39.26
CCC(CC)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620646	0	38	-1.0	-45.96	307.06	5.18	-40.78
CCC(CC)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620646	1	38	-1.0	-45.93	307.11	5.17	-40.76
CC(C)C1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620647	0	36	-1.0	-46.17	304.40	5.10	-41.07
CC(C)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620647	1	36	-1.0	-46.13	304.47	5.09	-41.04
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COCC(C)(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620651	1	34	-1.0	-42.76	299.35	-0.51	-43.27
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620652	0	30	-1.0	-46.23	264.92	4.06	-42.17
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CC(F)(F)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620711	0	29	-1.0	-53.56	268.67	3.66	-49.90
CC(F)(F)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620711	1	29	-1.0	-53.53	268.74	3.66	-49.87
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O=C(CC1OCCO1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620712	1	32	-1.0	-48.70	283.15	2.08	-46.62
C=CC(C)(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620713	0	36	-1.0	-46.14	298.08	5.27	-40.87
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C[C@@H]1C[C@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620714	0	30	-1.0	-46.25	267.84	4.15	-42.10
C[C@@H]1C[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620714	1	30	-1.0	-46.22	268.74	4.14	-42.08
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CO1	REAL250004620715	0	30	-1.0	-49.63	276.63	3.82	-45.81
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CO1	REAL250004620715	1	30	-1.0	-49.60	276.69	3.81	-45.79
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O=C(C=CC1=CNC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620717	0	31	-1.0	-50.56	287.68	3.96	-46.60
O=C(C=CC1=CNC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620717	1	31	-1.0	-50.53	287.74	3.95	-46.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CCCCC1	REAL250004620718	0	34	-1.0	-46.22	287.25	5.23	-40.99
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CCCCC1	REAL250004620718	1	34	-1.0	-46.19	287.32	5.22	-40.97
O=C(CC1=COC=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620719	0	30	-1.0	-48.78	277.52	3.66	-45.12
O=C(CC1=COC=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620719	1	30	-1.0	-48.70	277.59	3.64	-45.06
CC(C)C(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620720	0	38	-1.0	-46.00	301.18	4.87	-41.13
CC(C)C(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620720	1	38	-1.0	-45.97	301.24	4.86	-41.11
CC1=NNN=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620721	0	29	-1.0	-42.81	267.44	0.64	-42.17
CC1=NNN=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620721	1	29	-1.0	-42.79	267.50	0.63	-42.16
CC1CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CO1	REAL250004620722	0	34	-1.0	-48.40	291.13	2.82	-45.58
CC1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CO1	REAL250004620722	1	34	-1.0	-48.36	291.19	2.82	-45.54
CC(C)C(F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620723	0	32	-1.0	-47.27	282.37	3.99	-43.28
CC(C)C(F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620723	1	32	-1.0	-47.27	282.42	3.98	-43.29
C[C@H](O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620724	0	27	-1.0	-46.68	247.88	0.47	-46.21
C[C@H](O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620724	1	27	-1.0	-46.66	247.94	0.46	-46.20
C[C@@H](O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620725	0	27	-1.0	-46.07	247.28	0.48	-45.59
C[C@@H](O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620725	1	27	-1.0	-45.99	247.34	0.47	-45.52
CC(C)(CO)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620726	0	33	-1.0	-44.73	283.78	0.72	-44.01
CC(C)(CO)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620726	1	33	-1.0	-44.76	283.84	0.71	-44.05
CC(C)C(C)(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620727	0	36	-1.0	-43.42	297.98	1.52	-41.90
CC(C)C(C)(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620727	1	36	-1.0	-43.40	298.04	1.51	-41.89
COC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)C	REAL250004620728	0	36	-1.0	-47.69	306.71	4.12	-43.57
COC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)C	REAL250004620728	1	36	-1.0	-47.67	306.77	4.11	-43.56
CC(C)(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620729	0	30	-1.0	-43.30	266.54	0.12	-43.18
CC(C)(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620729	1	30	-1.0	-43.31	266.60	0.11	-43.20
CC(C)(O)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620730	0	36	-1.0	-45.20	306.67	1.51	-43.69
CC(C)(O)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620730	1	36	-1.0	-45.18	306.72	1.50	-43.68
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(F)CCCC1	REAL250004620731	0	33	-1.0	-44.04	285.14	4.59	-39.45
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(F)CCCC1	REAL250004620731	1	33	-1.0	-43.01	286.03	4.58	-38.43
C[C@H]1C[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620732	0	30	-1.0	-46.30	268.66	4.15	-42.15
C[C@H]1C[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620732	1	30	-1.0	-46.29	268.72	4.14	-42.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NC=N1	REAL250004620733	0	28	-1.0	-43.88	263.64	3.08	-40.80
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CC1=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CO1	REAL250004620734	0	29	-1.0	-45.30	272.32	0.34	-44.96
CC1=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CO1	REAL250004620734	1	29	-1.0	-45.32	272.39	0.33	-44.99
C[C@H](NC(N)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620735	0	32	-1.0	-46.12	288.14	-1.54	-47.66
C[C@H](NC(N)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620735	1	32	-1.0	-46.07	288.21	-1.55	-47.62
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O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(F)CCC1	REAL250004620737	1	30	-1.0	-42.59	270.03	4.01	-38.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1C[C@@H]1C(F)F	REAL250004620738	0	30	-1.0	-45.48	279.90	4.37	-41.11
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CCCCC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620739	0	38	-1.0	-46.05	316.39	5.54	-40.51
CCCCC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620739	1	38	-1.0	-46.02	316.45	5.53	-40.49
CC(CC(N)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620740	0	33	-1.0	-44.87	289.24	0.12	-44.75
CC(CC(N)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620740	1	33	-1.0	-44.84	289.29	0.12	-44.72
CN1N=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620741	0	29	-1.0	-46.12	264.30	1.56	-44.56
CN1N=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620741	1	29	-1.0	-46.18	264.24	1.57	-44.61
COC(C)(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620742	0	36	-1.0	-49.15	299.12	3.85	-45.30
COC(C)(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620742	1	36	-1.0	-49.16	299.20	3.85	-45.31
C=C(CO)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620743	0	28	-1.0	-46.84	256.39	0.03	-46.81
C=C(CO)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620743	1	28	-1.0	-46.85	256.45	0.02	-46.83
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC=CS1	REAL250004620744	0	26	-1.0	-44.60	259.51	2.12	-42.48
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC=CS1	REAL250004620744	1	26	-1.0	-44.64	259.45	2.12	-42.52
CC(C)(C#N)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620745	0	33	-1.0	-43.26	289.25	4.20	-39.06
CC(C)(C#N)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620745	1	33	-1.0	-43.25	289.32	4.19	-39.06
CCC(C)(OC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620746	0	36	-1.0	-43.24	298.91	3.07	-40.17
CCC(C)(OC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620746	1	36	-1.0	-43.23	298.97	3.07	-40.16
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)NC=C1	REAL250004620747	0	31	-1.0	-48.79	276.40	3.49	-45.30
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)NC=C1	REAL250004620747	1	31	-1.0	-48.78	276.47	3.48	-45.30
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC=N1	REAL250004620748	0	32	-1.0	-46.43	288.14	3.86	-42.57
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC=N1	REAL250004620748	1	32	-1.0	-46.45	288.20	3.85	-42.60
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=CS1	REAL250004620749	0	26	-1.0	-46.70	259.39	2.16	-44.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=CS1	REAL250004620749	1	26	-1.0	-46.71	259.32	2.17	-44.54
C=CC(C)(O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620750	0	34	-1.0	-45.07	291.87	2.57	-42.50
C=CC(C)(O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620750	1	34	-1.0	-45.04	291.94	2.56	-42.48
CC(C)(C(N)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620751	0	33	-1.0	-60.05	286.02	1.38	-58.67
CC(C)(C(N)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620751	1	33	-1.0	-59.89	286.87	1.38	-58.51
CC1=CC=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004620752	0	31	-1.0	-52.24	286.66	3.11	-49.13
CC1=CC=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004620752	1	31	-1.0	-52.32	285.89	3.10	-49.22
CC(C)(O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620753	0	33	-1.0	-50.14	283.76	1.70	-48.44
CC(C)(O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620753	1	33	-1.0	-50.09	283.82	1.70	-48.39
O=C(CCC(F)F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620754	0	29	-1.0	-48.58	270.93	3.75	-44.83
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CC=C(CC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620755	0	33	-1.0	-46.46	286.13	4.71	-41.75
CC=C(CC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620755	1	33	-1.0	-46.47	286.19	4.70	-41.77
CN1C=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620756	0	30	-1.0	-50.73	269.04	4.27	-46.46
CN1C=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620756	1	30	-1.0	-50.76	268.98	4.28	-46.48
COC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL250004620757	0	34	-1.0	-47.92	300.78	4.24	-43.68
COC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL250004620757	1	34	-1.0	-48.67	301.70	4.24	-44.43
CC(C)(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)F	REAL250004620758	0	32	-1.0	-46.62	284.05	4.11	-42.51
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)F	REAL250004620758	1	32	-1.0	-46.60	284.11	4.11	-42.49
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CSC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620760	0	31	-1.0	-44.05	291.90	4.50	-39.55
CSC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620760	1	31	-1.0	-44.01	291.99	4.49	-39.52
CC(C)[C@H](O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620761	0	33	-1.0	-46.02	282.67	1.98	-44.04
CC(C)[C@H](O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620761	1	33	-1.0	-46.00	282.74	1.97	-44.03
CCC(C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620762	0	38	-1.0	-46.16	315.57	5.41	-40.75
CCC(C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620762	1	38	-1.0	-46.14	315.63	5.40	-40.74
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CC(C)[C@@H](O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620764	0	33	-1.0	-45.73	281.72	2.30	-43.43
CC(C)[C@@H](O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620764	1	33	-1.0	-45.64	281.79	2.30	-43.34
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O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(O)C1CCC1	REAL250004620821	1	34	-1.0	-45.24	292.75	2.59	-42.65
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004620822	0	29	-1.0	-47.86	275.42	3.84	-44.02
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004620822	1	29	-1.0	-47.77	275.48	3.83	-43.94
CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=N1	REAL250004620823	0	31	-1.0	-45.71	285.25	2.76	-42.95
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=N1	REAL250004620823	1	31	-1.0	-45.77	285.31	2.75	-43.02
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC12CC2	REAL250004620824	0	31	-1.0	-46.91	278.91	4.95	-41.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC12CC2	REAL250004620824	1	31	-1.0	-46.61	279.80	4.95	-41.66
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1(F)F	REAL250004620825	0	30	-1.0	-49.49	275.85	4.26	-45.23
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1(F)F	REAL250004620825	1	30	-1.0	-49.38	275.92	4.26	-45.12
O=C(CC1=NN=CN1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620826	0	29	-1.0	-62.69	269.18	3.11	-59.58
O=C(CC1=NN=CN1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620826	1	29	-1.0	-62.65	269.25	3.09	-59.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)=C1CCC1	REAL250004620827	0	31	-1.0	-42.72	280.73	4.80	-37.92
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)=C1CCC1	REAL250004620827	1	31	-1.0	-42.73	280.80	4.78	-37.95
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1F	REAL250004620828	0	30	-1.0	-51.43	269.62	4.17	-47.26
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1F	REAL250004620828	1	30	-1.0	-51.41	269.68	4.16	-47.25
C=C(C)C(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620829	0	36	-1.0	-45.91	299.66	4.81	-41.10
C=C(C)C(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620829	1	36	-1.0	-45.88	299.72	4.81	-41.07
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(F)CC1	REAL250004620830	0	27	-1.0	-42.91	253.59	3.54	-39.37
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(F)CC1	REAL250004620830	1	27	-1.0	-42.88	253.65	3.53	-39.35
COC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL250004620831	0	31	-1.0	-48.76	275.00	3.02	-45.74
COC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620831	1	31	-1.0	-48.74	275.06	3.01	-45.73
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC(=O)C1	REAL250004620832	0	32	-1.0	-46.21	283.79	3.69	-42.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC(=O)C1	REAL250004620832	1	32	-1.0	-46.17	283.85	3.68	-42.49
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(CF)CCC1	REAL250004620833	0	33	-1.0	-46.17	283.56	4.78	-41.39
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(CF)CCC1	REAL250004620833	1	33	-1.0	-46.12	283.62	4.77	-41.35
CC1=NOC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620834	0	29	-1.0	-47.97	268.75	3.06	-44.91
CC1=NOC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620834	1	29	-1.0	-47.91	268.81	3.05	-44.86
CC=C(F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620835	0	27	-1.0	-42.10	254.48	3.40	-38.70
CC=C(F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620835	1	27	-1.0	-42.06	254.55	3.39	-38.67
CCC=C(F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620836	0	30	-1.0	-41.79	274.79	4.13	-37.66
CCC=C(F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620836	1	30	-1.0	-41.72	274.85	4.12	-37.60
O=C(CC1CSC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620837	0	31	-1.0	-48.57	283.32	4.35	-44.22
O=C(CC1CSC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620837	1	31	-1.0	-48.75	284.22	4.36	-44.39
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=CN1	REAL250004620838	0	30	-1.0	-48.63	273.06	3.12	-45.51
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=CN1	REAL250004620838	1	30	-1.0	-48.66	273.12	3.11	-45.55
COC(OC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620839	0	31	-1.0	-48.86	273.38	1.60	-47.26
COC(OC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620839	1	31	-1.0	-48.84	273.45	1.59	-47.25
N#CCCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620840	0	33	-1.0	-48.98	300.63	4.77	-44.21
N#CCCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620840	1	33	-1.0	-48.94	300.69	4.76	-44.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(CF)CC1	REAL250004620841	0	30	-1.0	-45.65	270.11	4.24	-41.41
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(CF)CC1	REAL250004620841	1	30	-1.0	-45.60	270.17	4.23	-41.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CSC1	REAL250004620842	0	28	-1.0	-44.59	262.55	3.64	-40.95
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CSC1	REAL250004620842	1	28	-1.0	-44.54	262.62	3.63	-40.91
CCC(CO)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620843	0	33	-1.0	-45.32	283.44	0.79	-44.53
CCC(CO)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620843	1	33	-1.0	-45.23	283.52	0.78	-44.45
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@]12C[C@H]1COC2	REAL250004620844	0	32	-1.0	-48.47	282.76	2.70	-45.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12C[C@H]1COC2	REAL250004620844	1	32	-1.0	-48.44	282.83	2.69	-45.75
CCC(C#N)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620845	0	30	-1.0	-46.16	275.67	3.64	-42.52
CCC(C#N)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620845	1	30	-1.0	-46.12	275.73	3.63	-42.49
CCCC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620846	0	38	-1.0	-46.57	310.15	5.18	-41.39
CCCC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620846	1	38	-1.0	-46.53	310.21	5.17	-41.36
CSC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620847	0	33	-1.0	-49.61	291.35	4.26	-45.35
CSC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620847	1	33	-1.0	-49.52	291.42	4.26	-45.26
CC(C)(O)C(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620848	0	34	-1.0	-43.52	287.89	-0.57	-44.09
CC(C)(O)C(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620848	1	34	-1.0	-43.46	287.95	-0.59	-44.05
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC(=O)C1	REAL250004620849	0	32	-1.0	-45.73	283.21	3.63	-42.10
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC(=O)C1	REAL250004620849	1	32	-1.0	-45.70	283.27	3.62	-42.08
CCC(O)C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620850	0	36	-1.0	-50.10	301.04	2.50	-47.60
CCC(O)C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620850	1	36	-1.0	-50.05	301.10	2.50	-47.55
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC2CC2C1	REAL250004620851	0	34	-1.0	-48.03	289.26	5.29	-42.74
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC2CC2C1	REAL250004620851	1	34	-1.0	-47.17	290.16	5.29	-41.88
CC=CC(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620852	0	31	-1.0	-46.10	281.59	1.86	-44.24
CC=CC(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620852	1	31	-1.0	-46.04	281.66	1.85	-44.19
CC1(C)CCC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620853	0	36	-1.0	-46.52	300.12	4.91	-41.61
CC1(C)CCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620853	1	36	-1.0	-46.50	300.18	4.90	-41.60
CCCC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620854	0	33	-1.0	-46.14	292.08	4.86	-41.28
CCCC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620854	1	33	-1.0	-46.09	292.15	4.85	-41.24
CC1=NC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL250004620855	0	29	-1.0	-45.24	272.32	0.47	-44.77
CC1=NC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL250004620855	1	29	-1.0	-45.21	272.39	0.46	-44.75
CC1=COC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620856	0	30	-1.0	-49.51	273.59	3.68	-45.83
CC1=COC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620856	1	30	-1.0	-49.50	273.66	3.67	-45.83
COCC(OC)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620857	0	34	-1.0	-48.13	299.19	2.12	-46.01
COCC(OC)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620857	1	34	-1.0	-48.13	299.25	2.12	-46.01
CN1CCC[C@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620858	0	35	-1.0	-48.29	296.85	2.11	-46.18
CN1CCC[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620858	1	35	-1.0	-48.25	296.90	2.11	-46.14
CN1CCC[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620859	0	35	-1.0	-48.28	297.44	2.03	-46.25
CN1CCC[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620859	1	35	-1.0	-48.21	297.50	2.02	-46.19
C[C@H](C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)N(C)C	REAL250004620860	0	34	-1.0	-46.78	284.04	1.44	-45.34
C[C@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)N(C)C	REAL250004620860	1	34	-1.0	-46.74	284.10	1.44	-45.30
COC1CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL250004620861	0	34	-1.0	-49.33	296.94	2.95	-46.38
COC1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL250004620861	1	34	-1.0	-49.30	297.00	2.94	-46.36
CC(CF)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620862	0	29	-1.0	-43.58	261.57	3.48	-40.10
CC(CF)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620862	1	29	-1.0	-43.56	261.63	3.47	-40.09
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1COC(=O)N1	REAL250004620863	0	29	-1.0	-55.35	268.37	-0.71	-56.06
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1COC(=O)N1	REAL250004620863	1	29	-1.0	-55.36	268.44	-0.72	-56.08
CCC(F)(F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620864	0	29	-1.0	-40.67	268.60	3.61	-37.06
CCC(F)(F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620864	1	29	-1.0	-40.63	268.67	3.60	-37.03
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1[C@@H]2COC[C@@H]21	REAL250004620865	0	32	-1.0	-46.65	282.34	2.81	-43.84
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1[C@@H]2COC[C@@H]21	REAL250004620865	1	32	-1.0	-46.59	282.40	2.80	-43.79
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1C[C@H]2C[C@H]2C1	REAL250004620866	0	34	-1.0	-45.97	291.04	5.32	-40.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1C[C@H]2C[C@H]2C1	REAL250004620866	1	34	-1.0	-45.95	291.11	5.31	-40.64
CC1=NC=CN=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620867	0	31	-1.0	-45.68	280.26	2.07	-43.61
CC1=NC=CN=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620867	1	31	-1.0	-45.64	280.33	2.07	-43.57
C=C1CC(C)(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL250004620868	0	34	-1.0	-45.61	294.94	5.03	-40.58
C=C1CC(C)(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL250004620868	1	34	-1.0	-45.54	295.01	5.02	-40.52
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC2(CC2)C1	REAL250004620869	0	34	-1.0	-46.06	295.04	5.38	-40.68
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC2(CC2)C1	REAL250004620869	1	34	-1.0	-46.04	295.11	5.37	-40.67
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1COC(=O)N1	REAL250004620870	0	29	-1.0	-55.32	268.39	-0.71	-56.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1COC(=O)N1	REAL250004620870	1	29	-1.0	-55.24	268.46	-0.72	-55.96
C[C@@H](C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)N(C)C	REAL250004620871	0	34	-1.0	-46.94	281.19	1.47	-45.47
C[C@@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)N(C)C	REAL250004620871	1	34	-1.0	-46.90	281.25	1.46	-45.44
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1C[C@@H](O)C1	REAL250004620872	0	31	-1.0	-50.54	274.95	0.57	-49.97
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1C[C@@H](O)C1	REAL250004620872	1	31	-1.0	-50.49	275.01	0.56	-49.93
CCC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620873	0	30	-1.0	-46.23	270.58	4.08	-42.15
CCC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620873	1	30	-1.0	-46.24	270.66	4.07	-42.17
NC(=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620874	0	24	-1.0	-41.23	231.27	-1.97	-43.20
NC(=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620874	1	24	-1.0	-41.16	231.33	-1.98	-43.14
CC(Cl)=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620875	0	27	-1.0	-48.17	261.82	3.83	-44.34
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O=C(CC1CC(=O)C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620987	1	32	-1.0	-51.64	287.47	3.85	-47.79
CN(C)C(=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620988	0	30	-1.0	-41.14	269.69	1.52	-39.62
CN(C)C(=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620988	1	30	-1.0	-41.11	269.76	1.51	-39.60
COC(=O)C(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620989	0	32	-1.0	-54.71	287.56	4.19	-50.52
COC(=O)C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620989	1	32	-1.0	-54.71	287.64	4.18	-50.53
CC1=CC=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL250004620990	0	31	-1.0	-52.24	286.66	3.11	-49.13
CC1=CC=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL250004620990	1	31	-1.0	-52.32	285.89	3.10	-49.22
CC(C)(CC#N)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620991	0	33	-1.0	-43.61	291.47	4.10	-39.51
CC(C)(CC#N)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620991	1	33	-1.0	-43.62	291.52	4.09	-39.53
CC1(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=N1	REAL250004620992	0	32	-1.0	-42.77	290.47	-0.65	-43.42
CC1(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=N1	REAL250004620992	1	32	-1.0	-42.74	290.53	-0.67	-43.41
CC1=CC=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL250004620993	0	32	-1.0	-47.05	290.03	3.95	-43.10
CC1=CC=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL250004620993	1	32	-1.0	-47.05	290.09	3.95	-43.10
CC1(F)CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL250004620994	0	33	-1.0	-48.42	288.93	4.64	-43.78
CC1(F)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL250004620994	1	33	-1.0	-49.20	289.83	4.63	-44.57
CCSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620995	0	30	-1.0	-48.99	281.30	4.04	-44.95
CCSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620995	1	30	-1.0	-48.93	281.36	4.03	-44.90
CC1CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL250004620996	0	34	-1.0	-51.20	293.30	3.98	-47.22
CC1CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL250004620996	1	34	-1.0	-50.59	294.18	3.97	-46.62
O=C(CC12CC(C1)C2)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620997	0	34	-1.0	-48.12	289.73	5.40	-42.72
O=C(CC12CC(C1)C2)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620997	1	34	-1.0	-48.05	289.79	5.40	-42.65
CCC=CC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620998	0	34	-1.0	-46.34	305.76	5.51	-40.83
CCC=CC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620998	1	34	-1.0	-46.30	305.82	5.51	-40.79
O=C(CC1CC=CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620999	0	34	-1.0	-47.12	292.81	5.23	-41.89
O=C(CC1CC=CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620999	1	34	-1.0	-47.06	292.87	5.22	-41.84
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CN1	REAL250004621000	0	31	-1.0	-53.11	280.49	3.45	-49.66
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CN1	REAL250004621000	1	31	-1.0	-53.05	280.55	3.44	-49.61
O=C(CCCCCF)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621001	0	35	-1.0	-48.71	307.86	5.17	-43.54
O=C(CCCCCF)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621001	1	35	-1.0	-48.66	307.92	5.16	-43.50
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC(=O)CO1	REAL250004621002	0	30	-1.0	-49.85	275.05	2.22	-47.63
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC(=O)CO1	REAL250004621002	1	30	-1.0	-49.81	275.11	2.22	-47.59
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@]12C[C@H]1[C@H](F)C2	REAL250004621003	0	31	-1.0	-50.31	282.32	4.77	-45.54
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12C[C@H]1[C@H](F)C2	REAL250004621003	1	31	-1.0	-50.28	282.38	4.76	-45.52
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CCCOC1	REAL250004621004	0	32	-1.0	-46.06	278.60	2.85	-43.21
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CCCOC1	REAL250004621004	1	32	-1.0	-46.06	278.65	2.85	-43.21
C=CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL250004621005	0	34	-1.0	-46.30	290.13	5.40	-40.90
C=CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL250004621005	1	34	-1.0	-46.30	290.19	5.39	-40.91
C[C@@H]1C[C@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@H]12	REAL250004621006	0	34	-1.0	-46.26	294.59	5.28	-40.98
C[C@@H]1C[C@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@H]12	REAL250004621006	1	34	-1.0	-46.22	294.65	5.27	-40.95
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1COC(=O)O1	REAL250004621007	0	28	-1.0	-57.50	265.35	3.04	-54.46
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1COC(=O)O1	REAL250004621007	1	28	-1.0	-57.40	265.40	3.03	-54.37
CO[C@H](C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621008	0	30	-1.0	-49.78	268.99	2.69	-47.09
CO[C@H](C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621008	1	30	-1.0	-49.74	269.05	2.68	-47.06
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004621009	0	34	-1.0	-46.48	288.93	5.22	-41.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004621009	1	34	-1.0	-46.49	289.00	5.22	-41.27
CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N1	REAL250004621010	0	31	-1.0	-48.25	281.19	3.38	-44.87
CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N1	REAL250004621010	1	31	-1.0	-48.23	281.25	3.37	-44.86
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1CC1(F)F	REAL250004621011	0	27	-1.0	-45.60	259.46	3.64	-41.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1CC1(F)F	REAL250004621011	1	27	-1.0	-45.54	259.52	3.63	-41.91
C[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@@H]12	REAL250004621012	0	34	-1.0	-47.00	296.71	5.34	-41.66
C[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@@H]12	REAL250004621012	1	34	-1.0	-46.91	296.77	5.33	-41.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCC(=O)O1	REAL250004621013	0	30	-1.0	-58.29	275.31	3.94	-54.35
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC(=O)O1	REAL250004621013	1	30	-1.0	-58.31	275.37	3.94	-54.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)C1CCC1	REAL250004621014	0	33	-1.0	-46.90	287.98	4.75	-42.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)C1CCC1	REAL250004621014	1	33	-1.0	-46.90	288.04	4.75	-42.15
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC(C1)OC2	REAL250004621015	0	32	-1.0	-45.03	280.22	2.49	-42.54
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC(C1)OC2	REAL250004621015	1	32	-1.0	-45.49	281.11	2.47	-43.02
C[C@H]1C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[C@H]1C	REAL250004621016	0	33	-1.0	-45.29	276.54	4.64	-40.65
C[C@H]1C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@H]1C	REAL250004621016	1	33	-1.0	-45.25	276.60	4.63	-40.62
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621017	0	34	-1.0	-49.31	285.71	2.85	-46.46
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621017	1	34	-1.0	-50.47	286.79	2.85	-47.62
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC1(F)F	REAL250004621018	0	27	-1.0	-49.94	257.95	3.68	-46.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC1(F)F	REAL250004621018	1	27	-1.0	-49.87	258.00	3.67	-46.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@@H]1C(F)F	REAL250004621019	0	30	-1.0	-48.03	274.28	4.45	-43.58
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@@H]1C(F)F	REAL250004621019	1	30	-1.0	-48.01	274.35	4.45	-43.56
[N-]=[N+]=NCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621020	0	25	-1.0	-48.32	245.89	-1.34	-49.66
[N-]=[N+]=NCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621020	1	25	-1.0	-48.30	245.95	-1.34	-49.64
[N-]=[N+]=NCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621021	0	28	-1.0	-44.14	266.92	-0.68	-44.82
[N-]=[N+]=NCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621021	1	28	-1.0	-44.11	266.97	-0.68	-44.79
[N-]=[N+]=NCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621022	0	31	-1.0	-49.13	288.41	0.12	-49.01
[N-]=[N+]=NCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621022	1	31	-1.0	-49.08	288.47	0.12	-48.96
CC(C)(F)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621023	0	35	-1.0	-45.97	302.28	4.80	-41.17
CC(C)(F)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621023	1	35	-1.0	-45.99	302.34	4.79	-41.20
O=C(CN1C=NC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621024	0	29	-1.0	-58.09	271.03	4.54	-53.55
O=C(CN1C=NC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621024	1	29	-1.0	-58.11	270.96	4.55	-53.56
C#CCOCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621025	0	29	-1.0	-53.06	277.14	3.47	-49.59
C#CCOCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621025	1	29	-1.0	-53.01	277.20	3.46	-49.55
C#C[C@H]1C[C@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621026	0	29	-1.0	-49.86	270.16	4.65	-45.21
C#C[C@H]1C[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621026	1	29	-1.0	-49.83	270.22	4.64	-45.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@H]1CC(=O)N1	REAL250004621027	0	28	-1.0	-52.90	261.72	-0.60	-53.50
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@H]1CC(=O)N1	REAL250004621027	1	28	-1.0	-52.76	261.79	-0.60	-53.36
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1C2C3CC1CC32	REAL250004621028	0	35	-1.0	-47.52	293.53	5.63	-41.89
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C2C3CC1CC32	REAL250004621028	1	35	-1.0	-47.52	293.59	5.62	-41.90
O=C(C=CC1CCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004621029	0	34	-1.0	-46.16	297.90	5.41	-40.75
O=C(C=CC1CCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004621029	1	34	-1.0	-46.12	297.96	5.40	-40.72
O=C(CCCC1=N[N-]N=N1)NCC1=NC=C2CCCC2=N1	REAL250004621030	0	37	-1.0	-49.85	314.52	2.54	-47.31
O=C(CCCC1=NN=N[N-]1)NCC1=NC=C2CCCC2=N1	REAL250004621030	1	37	-1.0	-49.85	314.58	2.55	-47.30
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NNN=C1	REAL250004621031	0	34	-1.0	-45.83	284.83	-0.11	-45.94
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NNN=C1	REAL250004621031	1	34	-1.0	-45.82	284.89	-0.09	-45.91
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNN=C1	REAL250004621032	0	34	-1.0	-38.03	295.41	-0.30	-38.33
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNN=C1	REAL250004621032	1	34	-1.0	-38.03	295.48	-0.30	-38.33
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL250004621033	0	34	-1.0	-46.75	298.00	2.60	-44.15
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL250004621033	1	34	-1.0	-46.75	297.94	2.58	-44.17
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]1N1CCOCC1	REAL250004621035	0	39	-1.0	-46.43	313.89	0.80	-45.63
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]1N1CCOCC1	REAL250004621035	1	39	-1.0	-46.37	313.94	0.81	-45.56
CCOCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621036	0	42	-1.0	-46.34	322.26	5.49	-40.85
CCOCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621036	1	42	-1.0	-46.37	322.32	5.50	-40.87
CCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621037	0	31	-1.0	-45.24	280.42	2.89	-42.35
CCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621037	1	31	-1.0	-45.26	280.48	2.90	-42.36
CC[C@@H]1OCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621038	0	36	-1.0	-46.50	296.70	1.56	-44.94
CC[C@@H]1OCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621038	1	36	-1.0	-46.48	296.76	1.58	-44.90
CC[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621039	0	36	-1.0	-34.76	307.61	1.32	-33.44
CC[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621039	1	36	-1.0	-34.69	307.68	1.34	-33.35
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004621040	0	41	-1.0	-46.61	325.28	4.96	-41.65
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004621040	1	41	-1.0	-46.62	325.34	4.97	-41.65
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCSCC1	REAL250004621041	0	37	-1.0	-45.34	298.35	0.65	-44.69
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCSCC1	REAL250004621041	1	37	-1.0	-45.38	298.40	0.67	-44.71
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC=CCC1	REAL250004621042	0	39	-1.0	-53.15	307.44	6.70	-46.45
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC=CCC1	REAL250004621042	1	39	-1.0	-52.96	307.54	6.72	-46.24
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CCC1	REAL250004621043	0	36	-1.0	-35.34	293.66	3.58	-31.76
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CCC1	REAL250004621043	1	36	-1.0	-35.36	293.73	3.59	-31.77
O=C(CCCC1=N[N-]N=N1)N1CC(F)(F)C(F)(F)C1	REAL250004621044	0	29	-1.0	-45.99	268.37	3.18	-42.81
O=C(CCCC1=NN=N[N-]1)N1CC(F)(F)C(F)(F)C1	REAL250004621044	1	29	-1.0	-45.99	268.42	3.20	-42.79
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004621045	0	39	-1.0	-47.67	303.08	5.16	-42.51
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004621045	1	39	-1.0	-47.68	303.13	5.17	-42.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004621046	0	39	-1.0	-36.10	310.38	5.39	-30.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004621046	1	39	-1.0	-36.05	310.45	5.39	-30.66
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004621047	0	44	-1.0	-46.92	340.41	5.97	-40.95
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004621047	1	44	-1.0	-46.92	340.47	5.99	-40.93
N#CC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004621048	0	34	-1.0	-47.61	294.29	5.71	-41.90
N#CC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004621048	1	34	-1.0	-47.63	294.35	5.73	-41.90
NS(=O)(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621049	0	31	-1.0	-56.47	282.26	-2.98	-59.45
NS(=O)(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621049	1	31	-1.0	-56.48	282.32	-2.97	-59.45
COC[C@@H]1C[C@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621050	0	37	-1.0	-48.22	303.77	-0.62	-48.84
COC[C@@H]1C[C@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621050	1	37	-1.0	-48.26	303.83	-0.61	-48.87
CC1(C)C[C@@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621051	0	35	-1.0	-52.88	293.37	5.59	-47.29
CC1(C)C[C@@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621051	1	35	-1.0	-52.61	293.85	5.59	-47.02
CC1(C)C[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621052	0	32	-1.0	-34.99	279.62	2.49	-32.50
CC1(C)C[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621052	1	32	-1.0	-34.96	279.69	2.49	-32.47
CC(C)(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004621053	0	44	-1.0	-46.86	333.39	4.61	-42.25
CC(C)(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004621053	1	44	-1.0	-46.80	333.45	4.62	-42.18
CC1C(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621054	0	39	-1.0	-49.26	300.67	1.39	-47.87
CC1C(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621054	1	39	-1.0	-49.29	300.73	1.40	-47.89
NC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621055	0	36	-1.0	-50.41	299.25	-0.80	-51.21
NC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621055	1	36	-1.0	-50.43	299.30	-0.78	-51.21
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004621056	0	38	-1.0	-46.23	296.72	3.70	-42.53
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004621056	1	38	-1.0	-46.28	296.78	3.71	-42.57
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004621057	0	38	-1.0	-35.30	313.64	3.87	-31.43
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004621057	1	38	-1.0	-35.31	313.71	3.89	-31.42
CCOC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621059	0	37	-1.0	-47.66	308.87	4.19	-43.47
CCOC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621059	1	37	-1.0	-47.67	308.92	4.21	-43.46
CC(=O)C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004621060	0	38	-1.0	-54.28	322.42	5.41	-48.87
CC(=O)C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004621060	1	38	-1.0	-54.29	322.48	5.42	-48.87
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004621061	0	34	-1.0	-46.60	287.44	3.13	-43.47
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004621061	1	34	-1.0	-46.62	287.50	3.15	-43.47
C=CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621062	0	42	-1.0	-48.55	347.63	6.46	-42.09
C=CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621062	1	42	-1.0	-48.58	347.68	6.48	-42.10
CC(O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004621063	0	37	-1.0	-48.73	298.90	-0.20	-48.93
CC(O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004621063	1	37	-1.0	-48.76	298.95	-0.18	-48.94
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN1C1CC1	REAL250004621064	0	33	-1.0	-56.20	285.15	6.02	-50.18
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN1C1CC1	REAL250004621064	1	33	-1.0	-56.19	285.09	6.00	-50.19
O=C(NC1=NC=CN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621065	0	33	-1.0	-41.23	295.73	5.79	-35.44
O=C(NC1=NC=CN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621065	1	33	-1.0	-41.26	295.67	5.79	-35.47
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC(F)=C1F	REAL250004621066	0	32	-1.0	-45.98	283.40	4.35	-41.63
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC(F)=C1F	REAL250004621066	1	32	-1.0	-45.98	283.46	4.36	-41.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCO)=C1	REAL250004621067	0	36	-1.0	-48.99	307.60	1.45	-47.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCO)=C1	REAL250004621067	1	36	-1.0	-49.02	307.66	1.46	-47.56
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621068	0	39	-1.0	-49.13	318.17	2.57	-46.56
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621068	1	39	-1.0	-49.13	318.23	2.58	-46.55
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)[C@@H]2COC[C@@H]21	REAL250004621069	0	40	-1.0	-47.79	311.18	3.25	-44.54
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)[C@@H]2COC[C@@H]21	REAL250004621069	1	40	-1.0	-47.79	311.23	3.27	-44.52
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)C1	REAL250004621071	0	41	-1.0	-47.05	314.99	5.39	-41.66
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)C1	REAL250004621071	1	41	-1.0	-47.09	315.05	5.40	-41.69
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC(F)(F)[C@H]1O	REAL250004621072	0	36	-1.0	-51.52	302.72	0.02	-51.50
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC(F)(F)[C@H]1O	REAL250004621072	1	36	-1.0	-51.53	302.78	0.04	-51.49
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CO1	REAL250004621073	0	33	-1.0	-50.28	291.15	3.17	-47.11
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CO1	REAL250004621073	1	33	-1.0	-50.31	291.21	3.19	-47.12
O=C(N[C@@H]1C[C@H]1C1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621074	0	33	-1.0	-37.52	301.75	2.96	-34.56
O=C(N[C@@H]1C[C@H]1C1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621074	1	33	-1.0	-37.53	301.82	2.97	-34.56
CC(C)OCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621075	0	41	-1.0	-46.92	326.72	2.68	-44.24
CC(C)OCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621075	1	41	-1.0	-46.95	326.78	2.70	-44.25
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCSC2)C1	REAL250004621076	0	40	-1.0	-47.78	316.34	5.98	-41.80
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCSC2)C1	REAL250004621076	1	40	-1.0	-47.78	316.40	5.99	-41.79
CC1=CC(C#N)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621077	0	33	-1.0	-52.24	295.26	4.42	-47.82
CC1=CC(C#N)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621077	1	33	-1.0	-52.28	295.32	4.43	-47.85
CC1(CC(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621078	0	35	-1.0	-50.11	299.68	4.23	-45.88
CC1(CC(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621078	1	35	-1.0	-50.13	299.74	4.25	-45.88
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004621079	0	45	-1.0	-48.46	343.68	6.47	-41.99
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004621079	1	45	-1.0	-48.47	343.73	6.49	-41.98
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCO)C1	REAL250004621080	0	39	-1.0	-48.92	317.31	1.63	-47.29
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCO)C1	REAL250004621080	1	39	-1.0	-48.97	317.37	1.65	-47.32
O=C(CCCC1=N[N-]N=N1)N1CCOC(CF)C1	REAL250004621081	0	33	-1.0	-47.84	275.81	2.09	-45.75
O=C(CCCC1=NN=N[N-]1)N1CCOC(CF)C1	REAL250004621081	1	33	-1.0	-47.84	275.87	2.10	-45.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(CF)C1	REAL250004621082	0	33	-1.0	-36.14	283.28	2.32	-33.82
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(CF)C1	REAL250004621082	1	33	-1.0	-36.13	283.35	2.35	-33.78
CN(CC1=NOC(C2CC2)=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004621083	0	37	-1.0	-52.70	320.11	2.68	-50.02
CN(CC1=NOC(C2CC2)=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004621083	1	37	-1.0	-52.75	320.17	2.69	-50.06
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N=NN1C	REAL250004621084	0	31	-1.0	-61.26	270.77	1.54	-59.72
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N=NN1C	REAL250004621084	1	31	-1.0	-61.29	270.82	1.55	-59.74
CC1=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=NN1C	REAL250004621085	0	34	-1.0	-69.09	295.08	4.48	-64.61
CC1=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=NN1C	REAL250004621085	1	34	-1.0	-68.92	295.57	4.45	-64.47
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=NN1C	REAL250004621086	0	31	-1.0	-45.22	282.30	1.35	-43.87
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=NN1C	REAL250004621086	1	31	-1.0	-45.23	282.35	1.38	-43.85
COCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621087	0	39	-1.0	-46.29	300.46	4.56	-41.73
COCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621087	1	39	-1.0	-46.30	300.51	4.57	-41.73
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCCCC2=N1	REAL250004621088	0	35	-1.0	-55.05	294.23	5.37	-49.68
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCCCC2=N1	REAL250004621088	1	35	-1.0	-55.10	294.29	5.39	-49.71
CN1N=CC2=C1CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004621089	0	39	-1.0	-52.61	313.67	4.09	-48.52
CN1N=CC2=C1CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004621089	1	39	-1.0	-52.65	313.73	4.10	-48.55
CN(C)C(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621090	0	39	-1.0	-58.91	314.53	2.75	-56.16
CN(C)C(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621090	1	39	-1.0	-58.94	314.58	2.77	-56.17
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@H]1F	REAL250004621091	0	35	-1.0	-48.03	287.68	3.25	-44.78
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@H]1F	REAL250004621091	1	35	-1.0	-48.05	287.74	3.27	-44.78
O=C(N[C@@H]1CCCC[C@H]1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621092	0	35	-1.0	-37.95	295.41	2.99	-34.96
O=C(N[C@@H]1CCCC[C@H]1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621092	1	35	-1.0	-37.94	295.48	2.99	-34.95
COCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621093	0	42	-1.0	-48.64	335.21	2.86	-45.78
COCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621093	1	42	-1.0	-48.65	335.26	2.87	-45.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(Cl)=C1	REAL250004621094	0	31	-1.0	-47.09	290.84	2.13	-44.96
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(Cl)=C1	REAL250004621094	1	31	-1.0	-47.12	290.90	2.15	-44.97
CCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621096	0	42	-1.0	-48.63	335.55	3.19	-45.44
CCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621096	1	42	-1.0	-48.64	335.61	3.20	-45.44
O=C(CCCC1=N[N-]N=N1)N1CCSC2(CCC2)CC1	REAL250004621097	0	40	-1.0	-46.32	310.89	6.08	-40.24
O=C(CCCC1=NN=N[N-]1)N1CCSC2(CCC2)CC1	REAL250004621097	1	40	-1.0	-46.33	310.95	6.10	-40.23
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCCOC1	REAL250004621098	0	40	-1.0	-46.50	319.76	-0.91	-47.41
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCCOC1	REAL250004621098	1	40	-1.0	-46.54	319.82	-0.90	-47.44
CNC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621099	0	41	-1.0	-51.16	331.61	0.61	-50.55
CNC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621099	1	41	-1.0	-51.19	331.67	0.63	-50.56
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCC2)C1	REAL250004621100	0	39	-1.0	-47.29	312.02	5.51	-41.78
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCC2)C1	REAL250004621100	1	39	-1.0	-47.25	312.07	5.52	-41.73
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CCC2)C1	REAL250004621101	0	39	-1.0	-35.90	318.81	5.66	-30.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CCC2)C1	REAL250004621101	1	39	-1.0	-35.84	318.88	5.66	-30.18
C=C(CC)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621102	0	35	-1.0	-52.10	299.83	5.32	-46.78
C=C(CC)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621102	1	35	-1.0	-51.89	299.89	5.34	-46.55
C=C(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621103	0	32	-1.0	-34.70	285.67	2.22	-32.48
C=C(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621103	1	32	-1.0	-34.70	285.74	2.23	-32.47
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004621104	0	37	-1.0	-47.19	313.16	2.82	-44.37
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004621104	1	37	-1.0	-47.20	313.21	2.84	-44.36
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004621105	0	41	-1.0	-49.49	334.70	6.79	-42.70
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004621105	1	41	-1.0	-49.50	334.76	6.81	-42.69
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1C1CC1	REAL250004621106	0	42	-1.0	-46.65	330.67	5.01	-41.64
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1C1CC1	REAL250004621106	1	42	-1.0	-46.71	330.73	5.02	-41.69
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CS1	REAL250004621107	0	33	-1.0	-47.98	283.81	3.03	-44.95
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CS1	REAL250004621107	1	33	-1.0	-47.99	283.87	3.05	-44.94
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CS1	REAL250004621108	0	33	-1.0	-35.57	294.40	2.83	-32.74
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CS1	REAL250004621108	1	33	-1.0	-35.53	294.47	2.83	-32.70
COC(C)(C(C)NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004621109	0	42	-1.0	-45.75	320.62	2.88	-42.87
COC(C)(C(C)NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004621109	1	42	-1.0	-45.79	320.67	2.90	-42.89
CC(C)(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621110	0	44	-1.0	-46.70	335.27	1.76	-44.94
CC(C)(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621110	1	44	-1.0	-46.73	335.33	1.78	-44.95
CC(C)NC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621111	0	38	-1.0	-47.47	318.33	0.62	-46.85
CC(C)NC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621111	1	38	-1.0	-47.46	318.38	0.63	-46.83
CCS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621112	0	37	-1.0	-55.14	325.77	-0.34	-55.48
CCS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621112	1	37	-1.0	-55.09	325.83	-0.32	-55.41
CCCC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621113	0	47	-1.0	-46.81	351.12	5.48	-41.33
CCCC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621113	1	47	-1.0	-46.81	351.17	5.49	-41.32
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004621114	0	33	-1.0	-49.36	305.84	3.92	-45.44
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004621114	1	33	-1.0	-49.39	305.90	3.93	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC2=N1	REAL250004621115	0	32	-1.0	-56.25	280.58	4.11	-52.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC2=N1	REAL250004621115	1	32	-1.0	-56.25	280.64	4.12	-52.13
CS(=O)(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621116	0	32	-1.0	-58.18	288.87	-0.43	-58.61
CS(=O)(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621116	1	32	-1.0	-58.18	288.93	-0.42	-58.60
O=C(CCCC1=N[N-]N=N1)NCC1CNC(=O)C1	REAL250004621117	0	33	-1.0	-51.99	281.58	-1.14	-53.13
O=C(CCCC1=NN=N[N-]1)NCC1CNC(=O)C1	REAL250004621117	1	33	-1.0	-51.95	281.64	-1.12	-53.07
O=C(NCC1CNC(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621118	0	33	-1.0	-40.48	292.16	-1.35	-41.83
O=C(NCC1CNC(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621118	1	33	-1.0	-40.44	292.23	-1.35	-41.79
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004621119	0	36	-1.0	-45.92	293.92	1.30	-44.62
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004621119	1	36	-1.0	-45.95	293.98	1.32	-44.63
COC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004621120	0	36	-1.0	-35.87	304.51	1.10	-34.77
COC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004621120	1	36	-1.0	-35.88	304.58	1.09	-34.79
O=C(CCCC1=N[N-]N=N1)NCCS(=O)(=O)C1CC1	REAL250004621121	0	35	-1.0	-58.76	313.48	-0.25	-59.01
O=C(CCCC1=NN=N[N-]1)NCCS(=O)(=O)C1CC1	REAL250004621121	1	35	-1.0	-58.72	313.54	-0.23	-58.95
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H]1O	REAL250004621122	0	36	-1.0	-48.24	295.92	-0.20	-48.44
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H]1O	REAL250004621122	1	36	-1.0	-48.27	295.97	-0.19	-48.46
O=C(NC[C@@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621123	0	36	-1.0	-36.61	305.82	-0.41	-37.02
O=C(NC[C@@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621123	1	36	-1.0	-36.58	305.89	-0.40	-36.98
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCCC1	REAL250004621124	0	45	-1.0	-48.80	338.36	1.66	-47.14
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCCC1	REAL250004621124	1	45	-1.0	-48.85	338.41	1.68	-47.17
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCC1	REAL250004621125	0	36	-1.0	-45.89	295.07	0.32	-45.57
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCC1	REAL250004621125	1	36	-1.0	-45.89	295.13	0.33	-45.56
O=C(NCC(O)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621126	0	36	-1.0	-35.87	305.67	0.10	-35.77
O=C(NCC(O)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621126	1	36	-1.0	-35.85	305.74	0.12	-35.73
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004621127	0	35	-1.0	-49.05	307.44	4.47	-44.58
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004621127	1	35	-1.0	-49.03	307.50	4.48	-44.55
COCCC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621128	0	38	-1.0	-48.16	311.45	1.67	-46.49
COCCC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621128	1	38	-1.0	-48.14	311.51	1.69	-46.45
COCCC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621129	0	38	-1.0	-36.12	322.04	1.46	-34.66
COCCC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621129	1	38	-1.0	-36.10	322.11	1.48	-34.62
CCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621130	0	35	-1.0	-50.06	303.49	2.03	-48.03
CCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621130	1	35	-1.0	-50.09	303.55	2.05	-48.04
CCN1C=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004621131	0	35	-1.0	-39.75	314.08	1.83	-37.92
CCN1C=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004621131	1	35	-1.0	-39.73	314.15	1.83	-37.90
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(C)C	REAL250004621132	0	41	-1.0	-46.17	318.55	1.26	-44.91
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(C)C	REAL250004621132	1	41	-1.0	-46.18	318.61	1.27	-44.91
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)S1	REAL250004621133	0	34	-1.0	-48.88	311.59	1.88	-47.00
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)S1	REAL250004621133	1	34	-1.0	-48.93	311.65	1.90	-47.03
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004621134	0	42	-1.0	-48.11	332.48	3.12	-44.99
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004621134	1	42	-1.0	-48.14	332.54	3.13	-45.01
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621135	0	37	-1.0	-54.79	313.48	4.37	-50.42
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621135	1	37	-1.0	-54.77	313.54	4.39	-50.38
COC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621136	0	35	-1.0	-50.52	302.44	1.01	-49.51
COC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621136	1	35	-1.0	-50.53	302.50	1.03	-49.50
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621137	0	44	-1.0	-46.02	335.15	4.76	-41.26
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621137	1	44	-1.0	-46.02	335.20	4.78	-41.24
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC(C)C1	REAL250004621138	0	44	-1.0	-46.21	327.04	4.74	-41.47
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC(C)C1	REAL250004621138	1	44	-1.0	-46.18	327.10	4.76	-41.42
CC1(C)CCC(C)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621139	0	47	-1.0	-45.78	345.13	5.22	-40.56
CC1(C)CCC(C)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621139	1	47	-1.0	-45.80	345.19	5.24	-40.56
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621140	0	35	-1.0	-47.99	300.84	2.54	-45.45
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621140	1	35	-1.0	-47.99	300.90	2.56	-45.43
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004621141	0	40	-1.0	-51.23	323.98	3.53	-47.70
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004621141	1	40	-1.0	-51.21	323.92	3.52	-47.69
COC1(C(C)NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004621142	0	39	-1.0	-45.70	308.70	2.06	-43.64
COC1(C(C)NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004621142	1	39	-1.0	-45.69	308.76	2.07	-43.62
C[C@H]1C[C@@H](O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621143	0	36	-1.0	-47.09	288.79	0.86	-46.23
C[C@H]1C[C@@H](O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621143	1	36	-1.0	-47.09	288.84	0.87	-46.22
C[C@H]1C[C@@H](O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621144	0	36	-1.0	-35.28	296.91	1.06	-34.22
C[C@H]1C[C@@H](O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621144	1	36	-1.0	-35.23	296.98	1.06	-34.17
CC1CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621145	0	36	-1.0	-47.10	288.78	0.86	-46.24
CC1CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621145	1	36	-1.0	-47.10	288.84	0.87	-46.23
CC1CC(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621146	0	36	-1.0	-35.27	296.90	1.05	-34.22
CC1CC(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621146	1	36	-1.0	-35.21	296.97	1.06	-34.15
CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC	REAL250004621147	0	35	-1.0	-47.36	289.88	-0.41	-47.77
CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC	REAL250004621147	1	35	-1.0	-47.37	289.93	-0.39	-47.76
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)NC	REAL250004621148	0	35	-1.0	-40.78	300.46	-0.63	-41.41
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)NC	REAL250004621148	1	35	-1.0	-40.82	300.53	-0.62	-41.44
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)OCC1CC1	REAL250004621149	0	42	-1.0	-46.64	337.49	3.35	-43.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)OCC1CC1	REAL250004621149	1	42	-1.0	-46.66	337.54	3.37	-43.29
CCC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004621150	0	37	-1.0	-46.32	306.53	3.44	-42.88
CCC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004621150	1	37	-1.0	-46.36	306.58	3.45	-42.91
COC1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004621151	0	33	-1.0	-49.28	293.15	-0.98	-50.26
COC1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004621151	1	33	-1.0	-49.28	293.21	-0.97	-50.25
CCOC(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621152	0	37	-1.0	-50.45	314.59	4.28	-46.17
CCOC(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621152	1	37	-1.0	-50.48	314.65	4.30	-46.18
O=C(CCCC1=N[N-]N=N1)NC1CC12CCC(F)(F)CC2	REAL250004621153	0	39	-1.0	-47.23	320.80	4.74	-42.49
O=C(CCCC1=NN=N[N-]1)NC1CC12CCC(F)(F)CC2	REAL250004621153	1	39	-1.0	-47.26	320.86	4.76	-42.50
CC(C)(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621154	0	44	-1.0	-47.14	333.36	5.71	-41.43
CC(C)(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621154	1	44	-1.0	-47.14	333.42	5.72	-41.42
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621155	0	38	-1.0	-46.17	310.41	4.93	-41.24
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621155	1	38	-1.0	-46.16	310.46	4.95	-41.21
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621156	0	38	-1.0	-46.17	310.46	4.93	-41.24
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621156	1	38	-1.0	-46.19	310.51	4.95	-41.24
CC1=NN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N1	REAL250004621157	0	38	-1.0	-56.94	317.51	3.72	-53.22
CC1=NN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N1	REAL250004621157	1	38	-1.0	-56.98	317.57	3.74	-53.24
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(CO)C1	REAL250004621158	0	37	-1.0	-53.54	298.36	-2.37	-55.91
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(CO)C1	REAL250004621158	1	37	-1.0	-53.56	298.42	-2.36	-55.92
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621159	0	38	-1.0	-46.95	318.00	4.98	-41.97
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621159	1	38	-1.0	-46.97	318.05	4.99	-41.98
CSC1=CC(C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621160	0	36	-1.0	-47.42	311.79	5.16	-42.26
CSC1=CC(C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621160	1	36	-1.0	-47.43	311.84	5.18	-42.25
CCN1C=CC=C(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004621161	0	35	-1.0	-62.92	300.84	4.20	-58.72
CCN1C=CC=C(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004621161	1	35	-1.0	-62.95	300.90	4.21	-58.74
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)C(C)O1	REAL250004621162	0	39	-1.0	-46.69	311.66	1.93	-44.76
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C(C)O1	REAL250004621162	1	39	-1.0	-46.73	311.72	1.94	-44.79
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004621163	0	34	-1.0	-46.53	293.92	3.00	-43.53
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004621163	1	34	-1.0	-46.56	293.98	3.02	-43.54
CCN(CC1=C(C)C=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004621164	0	38	-1.0	-51.52	310.35	4.95	-46.57
CCN(CC1=C(C)C=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004621164	1	38	-1.0	-51.56	310.40	4.97	-46.59
COC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621165	0	41	-1.0	-48.67	329.06	4.89	-43.78
COC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621165	1	41	-1.0	-48.71	329.12	4.91	-43.80
COC(=O)C1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621166	0	41	-1.0	-51.79	326.74	4.95	-46.84
COC(=O)C1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621166	1	41	-1.0	-51.82	326.80	4.97	-46.85
NC(=O)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621167	0	37	-1.0	-50.30	295.52	-0.52	-50.82
NC(=O)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621167	1	37	-1.0	-50.37	295.58	-0.50	-50.87
COC(=O)C(CC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621169	0	38	-1.0	-50.02	325.94	4.00	-46.02
COC(=O)C(CC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621169	1	38	-1.0	-50.07	326.00	4.02	-46.05
O=C(CCCC1=N[N-]N=N1)NCC1=NN2C=CC=NC2=N1	REAL250004621170	0	33	-1.0	-57.59	296.30	3.58	-54.01
O=C(CCCC1=NN=N[N-]1)NCC1=NN2C=CC=NC2=N1	REAL250004621170	1	33	-1.0	-57.55	296.35	3.59	-53.96
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CSN=N1	REAL250004621171	0	30	-1.0	-47.00	277.03	0.76	-46.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CSN=N1	REAL250004621171	1	30	-1.0	-47.00	277.09	0.77	-46.23
COCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621172	0	38	-1.0	-48.73	313.94	3.20	-45.53
COCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621172	1	38	-1.0	-48.76	314.00	3.21	-45.55
COCCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621173	0	38	-1.0	-36.77	321.62	3.59	-33.18
COCCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621173	1	38	-1.0	-36.75	321.70	3.63	-33.12
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](O)CC1	REAL250004621174	0	36	-1.0	-49.17	292.51	-0.18	-49.35
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](O)CC1	REAL250004621174	1	36	-1.0	-49.19	292.57	-0.16	-49.35
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621175	0	36	-1.0	-36.81	303.10	-0.38	-37.19
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621175	1	36	-1.0	-36.83	303.17	-0.36	-37.19
O=C(CCCC1=N[N-]N=N1)NC1CCN(CC(F)F)C1	REAL250004621176	0	37	-1.0	-48.89	306.69	0.61	-48.28
O=C(CCCC1=NN=N[N-]1)NC1CCN(CC(F)F)C1	REAL250004621176	1	37	-1.0	-48.90	306.75	0.63	-48.27
N#CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004621177	0	36	-1.0	-51.32	309.90	5.63	-45.69
N#CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004621177	1	36	-1.0	-51.11	310.00	5.65	-45.46
N#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004621178	0	33	-1.0	-40.10	296.12	2.53	-37.57
N#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004621178	1	33	-1.0	-40.11	296.18	2.53	-37.58
O=C(CCCC1=N[N-]N=N1)NCCCC1(O)CCC1	REAL250004621179	0	39	-1.0	-48.39	318.21	0.89	-47.50
O=C(CCCC1=NN=N[N-]1)NCCCC1(O)CCC1	REAL250004621179	1	39	-1.0	-48.40	318.26	0.90	-47.50
CC1CCC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621180	0	36	-1.0	-49.28	281.16	1.02	-48.26
CC1CCC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621180	1	36	-1.0	-49.26	281.22	1.04	-48.22
CC1CCC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621181	0	36	-1.0	-36.16	289.08	1.25	-34.91
CC1CCC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621181	1	36	-1.0	-36.18	289.14	1.28	-34.90
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=NN=C1	REAL250004621182	0	31	-1.0	-49.00	282.05	-0.63	-49.63
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=NN=C1	REAL250004621182	1	31	-1.0	-49.02	282.11	-0.61	-49.63
CON1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621183	0	38	-1.0	-47.45	304.86	0.30	-47.15
CON1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621183	1	38	-1.0	-47.44	304.91	0.32	-47.12
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCO)CC1	REAL250004621184	0	42	-1.0	-49.90	321.82	2.50	-47.40
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCO)CC1	REAL250004621184	1	42	-1.0	-49.88	321.87	2.52	-47.36
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NN=NN2CC1	REAL250004621185	0	37	-1.0	-50.76	305.29	1.20	-49.56
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NN=NN2CC1	REAL250004621185	1	37	-1.0	-50.78	305.34	1.22	-49.56
COC(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL250004621186	0	41	-1.0	-47.16	328.03	2.54	-44.62
COC(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL250004621186	1	41	-1.0	-47.23	328.09	2.55	-44.68
CC1=NC(Cl)=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621187	0	32	-1.0	-45.79	300.80	2.46	-43.33
CC1=NC(Cl)=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621187	1	32	-1.0	-45.81	300.86	2.47	-43.34
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CO)C1	REAL250004621188	0	36	-1.0	-38.71	290.41	2.65	-36.06
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CO)C1	REAL250004621188	1	36	-1.0	-39.43	292.33	2.64	-36.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CO)C1	REAL250004621189	0	33	-1.0	-38.86	282.18	0.30	-38.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CO)C1	REAL250004621189	1	33	-1.0	-38.83	282.25	0.30	-38.53
CN1CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)OC1=O	REAL250004621190	0	35	-1.0	-52.50	301.11	1.64	-50.86
CN1CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)OC1=O	REAL250004621190	1	35	-1.0	-52.46	301.17	1.65	-50.81
COC1=CC(Cl)=CC=C1OC(=O)CCCC1=N[N-]N=N1	REAL250004621191	0	32	-1.0	-45.46	299.22	5.89	-39.57
COC1=CC(Cl)=CC=C1OC(=O)CCCC1=NN=N[N-]1	REAL250004621191	1	32	-1.0	-45.44	299.28	5.90	-39.54
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOC2	REAL250004621192	0	34	-1.0	-52.29	279.85	1.91	-50.38
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOC2	REAL250004621192	1	34	-1.0	-52.29	279.90	1.93	-50.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCOC2	REAL250004621193	0	34	-1.0	-40.58	288.32	1.81	-38.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCOC2	REAL250004621193	1	34	-1.0	-40.59	288.39	1.81	-38.78
O=C(NCC1CC12CC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621194	0	36	-1.0	-52.98	307.96	6.39	-46.59
O=C(NCC1CC12CC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621194	1	36	-1.0	-52.85	308.03	6.41	-46.44
O=C(NCC1CC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621195	0	33	-1.0	-34.99	293.80	3.30	-31.69
O=C(NCC1CC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621195	1	33	-1.0	-35.02	293.87	3.31	-31.71
COC1(C(C)NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004621198	0	43	-1.0	-47.01	323.40	1.82	-45.19
COC1(C(C)NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004621198	1	43	-1.0	-46.98	323.46	1.82	-45.16
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C(C)C	REAL250004621199	0	38	-1.0	-49.87	316.93	4.12	-45.75
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C(C)C	REAL250004621199	1	38	-1.0	-49.85	316.99	4.14	-45.71
CON(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621200	0	33	-1.0	-46.54	288.35	-0.06	-46.60
CON(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621200	1	33	-1.0	-46.55	288.41	-0.05	-46.60
CON(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621201	0	33	-1.0	-38.58	298.95	-0.28	-38.86
CON(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621201	1	33	-1.0	-38.55	299.01	-0.27	-38.82
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(OC(C)(C)C)C1	REAL250004621202	0	45	-1.0	-46.61	349.45	4.64	-41.97
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(OC(C)(C)C)C1	REAL250004621202	1	45	-1.0	-46.64	349.51	4.66	-41.98
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)C1	REAL250004621203	0	37	-1.0	-56.73	312.60	3.79	-52.94
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)C1	REAL250004621203	1	37	-1.0	-56.75	312.66	3.81	-52.94
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2CCC2)CC1	REAL250004621204	0	43	-1.0	-47.89	338.44	4.99	-42.90
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2CCC2)CC1	REAL250004621204	1	43	-1.0	-47.93	338.50	5.00	-42.93
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004621205	0	36	-1.0	-45.63	309.46	3.71	-41.92
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004621205	1	36	-1.0	-45.68	309.52	3.72	-41.96
O=C(NCC1CC1(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621206	0	32	-1.0	-54.74	287.11	5.07	-49.67
O=C(NCC1CC1(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621206	1	32	-1.0	-53.97	287.58	5.07	-48.90
O=C(NCC1CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621207	0	29	-1.0	-37.67	273.36	1.96	-35.71
O=C(NCC1CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621207	1	29	-1.0	-37.68	273.42	1.97	-35.71
O=C(CCCC1=N[N-]N=N1)NC1COCC2=CC=CC=C21	REAL250004621208	0	37	-1.0	-48.33	309.06	3.13	-45.20
O=C(CCCC1=NN=N[N-]1)NC1COCC2=CC=CC=C21	REAL250004621208	1	37	-1.0	-48.29	309.12	3.15	-45.14
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(C)=N1	REAL250004621209	0	37	-1.0	-46.92	317.19	2.93	-43.99
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(C)=N1	REAL250004621209	1	37	-1.0	-46.93	317.24	2.95	-43.98
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CC1(C)C	REAL250004621210	0	41	-1.0	-45.77	322.15	5.27	-40.50
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CC1(C)C	REAL250004621210	1	41	-1.0	-45.83	322.21	5.29	-40.54
C[C@@]1(O)C[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004621211	0	36	-1.0	-52.54	301.31	1.98	-50.56
C[C@@]1(O)C[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004621211	1	36	-1.0	-52.40	301.78	1.97	-50.43
C[C@@]1(O)C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621212	0	33	-1.0	-36.40	287.60	-1.13	-37.53
C[C@@]1(O)C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621212	1	33	-1.0	-36.43	287.67	-1.13	-37.56
O=C(CCCC1=N[N-]N=N1)NCC1CC2C=CC1CC2	REAL250004621213	0	40	-1.0	-47.11	313.92	4.60	-42.51
O=C(CCCC1=NN=N[N-]1)NCC1CC2C=CC1CC2	REAL250004621213	1	40	-1.0	-47.15	313.97	4.62	-42.53
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1C(C)(C)C	REAL250004621214	0	47	-1.0	-50.41	320.30	6.11	-44.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1C(C)(C)C	REAL250004621214	1	47	-1.0	-50.43	320.35	6.12	-44.31
CCCN1CC(CNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004621215	0	42	-1.0	-52.11	346.92	2.92	-49.19
CCCN1CC(CNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004621215	1	42	-1.0	-52.14	346.98	2.93	-49.21
COC(=O)C(C)(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621216	0	37	-1.0	-53.50	302.17	3.71	-49.79
COC(=O)C(C)(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621216	1	37	-1.0	-53.52	302.23	3.72	-49.80
NC(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621219	0	36	-1.0	-55.83	306.32	-0.66	-56.49
NC(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621219	1	36	-1.0	-55.85	306.38	-0.65	-56.50
NC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621220	0	42	-1.0	-52.25	336.90	0.56	-51.69
NC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621220	1	42	-1.0	-52.24	336.96	0.57	-51.67
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C=C1O	REAL250004621221	0	34	-1.0	-48.51	300.05	-2.20	-50.71
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C=C1O	REAL250004621221	1	34	-1.0	-48.53	300.10	-2.18	-50.71
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CN=C1	REAL250004621222	0	35	-1.0	-47.38	300.39	-0.70	-48.08
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CN=C1	REAL250004621222	1	35	-1.0	-47.37	300.33	-0.71	-48.08
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(F)=C1O	REAL250004621223	0	30	-1.0	-46.26	275.14	0.77	-45.49
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(F)=C1O	REAL250004621223	1	30	-1.0	-46.28	275.20	0.78	-45.50
COC1(OC)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621224	0	37	-1.0	-48.22	307.88	0.79	-47.43
COC1(OC)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621224	1	37	-1.0	-48.18	307.93	0.81	-47.37
CSC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621225	0	32	-1.0	-50.16	288.29	2.59	-47.57
CSC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621225	1	32	-1.0	-50.13	288.23	2.58	-47.55
CC1=CC=NC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621226	0	36	-1.0	-49.72	310.28	2.17	-47.55
CC1=CC=NC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621226	1	36	-1.0	-49.78	310.33	2.19	-47.59
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(=O)N1	REAL250004621227	0	35	-1.0	-53.38	304.97	0.97	-52.41
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(=O)N1	REAL250004621227	1	35	-1.0	-53.39	305.03	0.99	-52.40
CC(=O)CN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004621228	0	39	-1.0	-53.90	318.34	5.10	-48.80
CC(=O)CN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004621228	1	39	-1.0	-53.89	318.40	5.12	-48.77
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C1C	REAL250004621229	0	38	-1.0	-46.89	296.59	4.60	-42.29
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C1C	REAL250004621229	1	38	-1.0	-46.93	296.65	4.60	-42.33
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1C	REAL250004621230	0	38	-1.0	-36.03	304.02	4.86	-31.17
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1C	REAL250004621230	1	38	-1.0	-35.99	304.08	4.87	-31.12
CN1C=C(CC(CO)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004621231	0	39	-1.0	-51.22	333.84	-0.29	-51.51
CN1C=C(CC(CO)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004621231	1	39	-1.0	-51.17	333.78	-0.30	-51.47
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004621232	0	37	-1.0	-45.99	307.86	3.06	-42.93
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004621232	1	37	-1.0	-46.05	307.92	3.08	-42.97
O=C(CCCC1=N[N-]N=N1)NC1CCNC(=O)CC1	REAL250004621233	0	36	-1.0	-51.81	292.82	-0.27	-52.08
O=C(CCCC1=NN=N[N-]1)NC1CCNC(=O)CC1	REAL250004621233	1	36	-1.0	-51.81	292.88	-0.26	-52.07
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1N1CCOCC1	REAL250004621234	0	39	-1.0	-47.79	318.23	-0.31	-48.10
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1N1CCOCC1	REAL250004621234	1	39	-1.0	-47.78	318.29	-0.30	-48.08
O=C(NC1CC2CC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621235	0	36	-1.0	-53.88	296.30	6.11	-47.77
O=C(NC1CC2CC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621235	1	36	-1.0	-53.70	296.40	6.13	-47.57
O=C(NC1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621236	0	33	-1.0	-35.03	284.40	3.09	-31.94
O=C(NC1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621236	1	33	-1.0	-34.98	284.47	3.09	-31.89
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@H](C2CC2)C1	REAL250004621237	0	42	-1.0	-46.96	332.12	5.21	-41.75
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@H](C2CC2)C1	REAL250004621237	1	42	-1.0	-46.97	332.18	5.22	-41.75
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(CO)O1	REAL250004621238	0	40	-1.0	-48.95	317.64	0.37	-48.58
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(CO)O1	REAL250004621238	1	40	-1.0	-49.00	317.70	0.39	-48.61
CC1CC(CO)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621239	0	39	-1.0	-50.99	309.41	1.47	-49.52
CC1CC(CO)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621239	1	39	-1.0	-50.98	309.46	1.48	-49.50
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(CC)O1	REAL250004621240	0	42	-1.0	-46.07	331.94	4.34	-41.73
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(CC)O1	REAL250004621240	1	42	-1.0	-46.10	332.00	4.35	-41.75
O=C(CCCC1=N[N-]N=N1)N1CCC(O)CC12CCC2	REAL250004621241	0	40	-1.0	-47.59	307.29	1.72	-45.87
O=C(CCCC1=NN=N[N-]1)N1CCC(O)CC12CCC2	REAL250004621241	1	40	-1.0	-47.59	307.35	1.73	-45.86
CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004621242	0	39	-1.0	-47.21	316.88	6.43	-40.78
CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004621242	1	39	-1.0	-47.21	316.93	6.44	-40.77
O=C(CCCC1=N[N-]N=N1)N1CCSCC1C1CCC1	REAL250004621243	0	40	-1.0	-44.76	308.89	5.78	-38.98
O=C(CCCC1=NN=N[N-]1)N1CCSCC1C1CCC1	REAL250004621243	1	40	-1.0	-44.76	308.95	5.80	-38.96
CC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621244	0	36	-1.0	-50.70	302.08	1.21	-49.49
CC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621244	1	36	-1.0	-50.72	302.14	1.22	-49.50
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCC2)C1	REAL250004621245	0	42	-1.0	-47.31	327.31	5.99	-41.32
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCC2)C1	REAL250004621245	1	42	-1.0	-47.33	327.36	6.00	-41.33
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)O2	REAL250004621247	0	32	-1.0	-60.50	280.11	-1.04	-61.54
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)O2	REAL250004621247	1	32	-1.0	-60.47	280.17	-1.02	-61.49
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL250004621248	0	38	-1.0	-47.72	324.83	3.10	-44.62
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL250004621248	1	38	-1.0	-47.73	324.89	3.12	-44.61
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCCCC1	REAL250004621249	0	45	-1.0	-46.14	351.04	2.19	-43.95
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCCCC1	REAL250004621249	1	45	-1.0	-46.11	351.09	2.21	-43.90
N#CC1=CC=CC2=C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004621251	0	34	-1.0	-47.81	294.01	5.67	-42.14
N#CC1=CC=CC2=C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004621251	1	34	-1.0	-47.86	294.07	5.68	-42.18
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004621252	0	36	-1.0	-46.05	294.11	5.90	-40.15
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004621252	1	36	-1.0	-46.10	294.16	5.91	-40.19
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004621253	0	35	-1.0	-49.89	296.56	3.30	-46.59
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004621253	1	35	-1.0	-49.92	296.62	3.31	-46.61
CCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004621254	0	35	-1.0	-39.62	307.12	3.10	-36.52
CCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004621254	1	35	-1.0	-39.56	307.19	3.12	-36.44
C=C[C@@H]1OCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621255	0	37	-1.0	-48.30	308.82	1.87	-46.43
C=C[C@@H]1OCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621255	1	37	-1.0	-48.29	308.88	1.89	-46.40
C=CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621256	0	35	-1.0	-51.65	310.15	1.36	-50.29
C=CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621256	1	35	-1.0	-51.65	310.20	1.37	-50.28
O=C(CCCC1=NN=N[N-]1)N1CCCC(N2C=CN=N2)C1	REAL250004621257	0	38	-1.0	-57.66	310.50	3.08	-54.58
O=C(CCCC1=N[N-]N=N1)N1CCCC(N2C=CN=N2)C1	REAL250004621257	1	38	-1.0	-57.68	310.44	3.07	-54.61
CS(=O)(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621258	0	37	-1.0	-59.94	325.81	-0.44	-60.38
CS(=O)(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621258	1	37	-1.0	-59.99	325.86	-0.43	-60.42
COC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621259	0	34	-1.0	-48.32	301.38	-0.85	-49.17
COC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621259	1	34	-1.0	-48.29	301.44	-0.84	-49.13
CN(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004621260	0	34	-1.0	-53.49	287.31	5.19	-48.30
CN(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004621260	1	34	-1.0	-53.29	287.41	5.21	-48.08
CN(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004621261	0	31	-1.0	-35.98	273.53	2.11	-33.87
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004621261	1	31	-1.0	-35.99	273.59	2.12	-33.87
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C(F)F)C1	REAL250004621262	0	30	-1.0	-49.52	268.97	-0.48	-50.00
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C(F)F)C1	REAL250004621262	1	30	-1.0	-49.48	269.03	-0.46	-49.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)(C(F)F)C1	REAL250004621263	0	30	-1.0	-39.56	276.99	-0.54	-40.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)(C(F)F)C1	REAL250004621263	1	30	-1.0	-39.55	277.05	-0.53	-40.08
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCS1	REAL250004621264	0	34	-1.0	-48.26	300.93	1.56	-46.70
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCS1	REAL250004621264	1	34	-1.0	-48.28	300.98	1.57	-46.71
CCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621265	0	36	-1.0	-56.56	302.03	3.04	-53.52
CCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621265	1	36	-1.0	-56.56	302.09	3.05	-53.51
CC1CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004621266	0	30	-1.0	-49.86	269.37	1.81	-48.05
CC1CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004621266	1	30	-1.0	-49.90	269.42	1.83	-48.07
CC1CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004621267	0	30	-1.0	-37.28	279.93	1.61	-35.67
CC1CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004621267	1	30	-1.0	-37.27	280.00	1.61	-35.66
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004621268	0	38	-1.0	-45.75	292.26	4.83	-40.92
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004621268	1	38	-1.0	-45.69	292.32	4.85	-40.84
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)C1	REAL250004621269	0	38	-1.0	-34.68	299.87	5.09	-29.59
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)C1	REAL250004621269	1	38	-1.0	-34.65	299.94	5.11	-29.54
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(O)CC2C1	REAL250004621270	0	40	-1.0	-49.23	314.31	1.92	-47.31
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(O)CC2C1	REAL250004621270	1	40	-1.0	-49.22	314.36	1.93	-47.29
CN1C(=O)CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004621272	0	35	-1.0	-56.06	297.24	0.64	-55.42
CN1C(=O)CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004621272	1	35	-1.0	-56.10	297.29	0.65	-55.45
O=C(CCCC1=N[N-]N=N1)NC1=CC(CO)=CC=N1	REAL250004621273	0	32	-1.0	-54.66	282.17	0.37	-54.29
O=C(CCCC1=NN=N[N-]1)NC1=CC(CO)=CC=N1	REAL250004621273	1	32	-1.0	-54.69	282.22	0.38	-54.31
O=C(NC1=CC(CO)=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621274	0	32	-1.0	-41.59	292.75	0.16	-41.43
O=C(NC1=CC(CO)=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621274	1	32	-1.0	-41.54	292.81	0.16	-41.38
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCO2)CC1	REAL250004621275	0	37	-1.0	-47.55	294.44	2.87	-44.68
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCO2)CC1	REAL250004621275	1	37	-1.0	-47.58	294.50	2.89	-44.69
O=C(CCCC1=N[N-]N=N1)NCCC1CSC1	REAL250004621276	0	33	-1.0	-49.64	288.70	2.94	-46.70
O=C(CCCC1=NN=N[N-]1)NCCC1CSC1	REAL250004621276	1	33	-1.0	-49.65	288.76	2.96	-46.69
O=C(NCCC1CSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621277	0	33	-1.0	-37.65	299.29	2.74	-34.91
O=C(NCCC1CSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621277	1	33	-1.0	-37.59	299.36	2.75	-34.84
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NN=CN2)C1	REAL250004621279	0	35	-1.0	-56.96	295.70	3.87	-53.09
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NN=CN2)C1	REAL250004621279	1	35	-1.0	-57.00	295.75	3.89	-53.11
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C(F)F)=NO1	REAL250004621280	0	30	-1.0	-47.11	283.68	-0.73	-47.84
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C(F)F)=NO1	REAL250004621280	1	30	-1.0	-47.11	283.74	-0.71	-47.82
CN1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004621282	0	39	-1.0	-51.92	318.15	1.88	-50.04
CN1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004621282	1	39	-1.0	-51.92	318.21	1.89	-50.03
CS(C)(=O)=NC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621283	0	34	-1.0	-62.83	305.83	-1.97	-64.80
CS(C)(=O)=NC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621283	1	34	-1.0	-62.88	305.88	-1.95	-64.83
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004621284	0	28	-1.0	-43.94	257.26	1.67	-42.27
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004621284	1	28	-1.0	-43.94	257.32	1.68	-42.26
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL250004621285	0	28	-1.0	-34.08	267.85	1.48	-32.60
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL250004621285	1	28	-1.0	-34.08	267.92	1.49	-32.59
O=C(NC1CC12CC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621286	0	33	-1.0	-52.62	286.52	5.71	-46.91
O=C(NC1CC12CC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621286	1	33	-1.0	-52.43	286.58	5.73	-46.70
O=C(NC1CC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621287	0	30	-1.0	-35.03	272.36	2.63	-32.40
O=C(NC1CC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621287	1	30	-1.0	-35.05	272.43	2.63	-32.42
O=C(CCCC1=N[N-]N=N1)NC1CC1(F)C1=CC=CC=C1	REAL250004621288	0	36	-1.0	-48.28	311.22	5.05	-43.23
O=C(CCCC1=NN=N[N-]1)NC1CC1(F)C1=CC=CC=C1	REAL250004621288	1	36	-1.0	-48.28	311.28	5.07	-43.21
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C(F)F	REAL250004621289	0	32	-1.0	-48.16	281.06	4.73	-43.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C(F)F	REAL250004621289	1	32	-1.0	-48.17	281.12	4.75	-43.42
O=C(CCCC1=N[N-]N=N1)N1CC(CC(F)F)C1	REAL250004621290	0	32	-1.0	-50.73	281.80	3.72	-47.01
O=C(CCCC1=NN=N[N-]1)N1CC(CC(F)F)C1	REAL250004621290	1	32	-1.0	-50.77	281.86	3.73	-47.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CC(F)F)C1	REAL250004621291	0	32	-1.0	-38.79	289.76	3.65	-35.14
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CC(F)F)C1	REAL250004621291	1	32	-1.0	-38.75	289.82	3.66	-35.09
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621292	0	39	-1.0	-53.31	323.77	6.95	-46.36
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621292	1	39	-1.0	-53.02	323.83	6.97	-46.05
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621293	0	36	-1.0	-35.02	309.56	3.86	-31.16
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621293	1	36	-1.0	-34.98	309.62	3.87	-31.11
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004621294	0	36	-1.0	-55.41	307.57	5.76	-49.65
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004621294	1	36	-1.0	-55.78	307.24	5.80	-49.98
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621295	0	33	-1.0	-39.31	294.29	2.65	-36.66
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621295	1	33	-1.0	-39.30	294.35	2.66	-36.64
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004621296	0	41	-1.0	-46.17	313.25	4.37	-41.80
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004621296	1	41	-1.0	-46.20	313.30	4.38	-41.82
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621297	0	39	-1.0	-48.43	329.38	6.92	-41.51
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621297	1	39	-1.0	-48.44	329.44	6.93	-41.51
COC(=O)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621298	0	35	-1.0	-55.42	301.65	3.28	-52.14
COC(=O)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621298	1	35	-1.0	-55.49	301.71	3.30	-52.19
CCN1N=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621299	0	37	-1.0	-48.27	318.25	1.05	-47.22
CCN1N=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621299	1	37	-1.0	-48.26	318.30	1.07	-47.19
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1CCC1	REAL250004621300	0	39	-1.0	-46.17	320.39	4.77	-41.40
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1CCC1	REAL250004621300	1	39	-1.0	-46.19	320.44	4.79	-41.40
O=C(NC[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621301	0	39	-1.0	-34.69	330.99	4.55	-30.14
O=C(NC[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621301	1	39	-1.0	-34.66	331.05	4.57	-30.09
N#CC1=CNN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621302	0	30	-1.0	-57.97	280.58	4.32	-53.65
N#CC1=CNN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621302	1	30	-1.0	-57.82	280.66	4.34	-53.48
N#CC1=CNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621303	0	27	-1.0	-43.72	266.42	1.23	-42.49
N#CC1=CNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621303	1	27	-1.0	-43.72	266.49	1.25	-42.47
CCC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1	REAL250004621304	0	35	-1.0	-52.58	299.79	5.02	-47.56
CCC1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1	REAL250004621304	1	35	-1.0	-52.36	299.89	5.02	-47.34
CCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004621305	0	32	-1.0	-37.85	286.06	1.88	-35.97
CCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004621305	1	32	-1.0	-37.81	286.13	1.90	-35.91
CC1=CC(=O)NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621306	0	32	-1.0	-58.18	277.45	2.02	-56.16
CC1=CC(=O)NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621306	1	32	-1.0	-58.18	277.51	2.04	-56.14
CC1=CC(=O)NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004621307	0	32	-1.0	-41.28	287.85	1.82	-39.46
CC1=CC(=O)NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004621307	1	32	-1.0	-41.26	287.92	1.83	-39.43
COCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004621308	0	33	-1.0	-50.37	287.74	-0.29	-50.66
COCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004621308	1	33	-1.0	-50.34	287.68	-0.30	-50.64
CC1(C)C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621309	0	42	-1.0	-47.39	324.88	6.82	-40.57
CC1(C)C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621309	1	42	-1.0	-47.38	324.93	6.83	-40.55
CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004621310	0	33	-1.0	-49.38	290.56	1.33	-48.05
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004621310	1	33	-1.0	-49.39	290.61	1.34	-48.05
CC1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004621311	0	33	-1.0	-39.00	301.15	1.12	-37.88
CC1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004621311	1	33	-1.0	-38.98	301.22	1.12	-37.86
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CS(=O)(=O)C2	REAL250004621312	0	33	-1.0	-55.88	295.18	-0.13	-56.01
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CS(=O)(=O)C2	REAL250004621312	1	33	-1.0	-55.91	295.23	-0.12	-56.03
CCC1=CSC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621313	0	37	-1.0	-48.47	326.31	2.74	-45.73
CCC1=CSC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621313	1	37	-1.0	-48.47	326.37	2.75	-45.72
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC2=C(C1)SC=N2	REAL250004621314	0	35	-1.0	-49.55	304.83	2.48	-47.07
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC2=C(C1)SC=N2	REAL250004621314	1	35	-1.0	-49.55	304.89	2.49	-47.06
CNC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621315	0	34	-1.0	-51.52	294.83	-2.54	-54.06
CNC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621315	1	34	-1.0	-51.57	294.89	-2.53	-54.10
CNC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621316	0	34	-1.0	-42.08	305.43	-2.75	-44.83
CNC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621316	1	34	-1.0	-42.06	305.49	-2.74	-44.80
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2CC2)=C1	REAL250004621317	0	33	-1.0	-48.13	285.93	2.89	-45.24
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2CC2)=C1	REAL250004621317	1	33	-1.0	-48.12	285.99	2.91	-45.21
O=C(NC1=NNC(C2CC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621318	0	33	-1.0	-37.47	296.50	2.71	-34.76
O=C(NC1=NNC(C2CC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621318	1	33	-1.0	-37.48	296.57	2.72	-34.76
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621319	0	35	-1.0	-47.79	294.57	2.71	-45.08
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621319	1	35	-1.0	-47.78	294.63	2.72	-45.06
CC(C)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004621320	0	35	-1.0	-37.35	305.14	2.51	-34.84
CC(C)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004621320	1	35	-1.0	-37.35	305.21	2.53	-34.82
CCC1=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621321	0	35	-1.0	-54.18	297.02	2.92	-51.26
CCC1=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621321	1	35	-1.0	-54.19	297.08	2.93	-51.26
CCC1=C(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004621322	0	35	-1.0	-40.54	307.59	2.71	-37.83
CCC1=C(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004621322	1	35	-1.0	-40.50	307.66	2.72	-37.78
O=C(CCCC1=NN=N[N-]1)NC1=NN=CN1C1=CC=CC=C1	REAL250004621323	0	35	-1.0	-58.10	308.76	8.37	-49.73
O=C(CCCC1=N[N-]N=N1)NC1=NN=CN1C1=CC=CC=C1	REAL250004621323	1	35	-1.0	-58.07	308.70	8.35	-49.72
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCSC2)C1	REAL250004621324	0	38	-1.0	-47.76	307.52	3.49	-44.27
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCSC2)C1	REAL250004621324	1	38	-1.0	-47.79	307.57	3.50	-44.29
CCC(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621325	0	41	-1.0	-45.94	327.57	0.94	-45.00
CCC(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621325	1	41	-1.0	-45.96	327.63	0.96	-45.00
O=C(N[C@H]1CCOC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621326	0	32	-1.0	-63.48	281.11	4.01	-59.47
O=C(N[C@H]1CCOC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621326	1	32	-1.0	-64.84	280.78	4.06	-60.78
O=C(N[C@H]1CCOC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621327	0	29	-1.0	-43.83	267.10	0.92	-42.91
O=C(N[C@H]1CCOC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621327	1	29	-1.0	-43.82	267.17	0.92	-42.90
COC(=O)C1=CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621328	0	36	-1.0	-47.93	303.62	4.12	-43.81
COC(=O)C1=CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621328	1	36	-1.0	-47.95	303.68	4.14	-43.81
O=C(CCCC1=N[N-]N=N1)NC1CC(N2CCOCC2)C1	REAL250004621329	0	42	-1.0	-47.48	335.47	0.34	-47.14
O=C(CCCC1=NN=N[N-]1)NC1CC(N2CCOCC2)C1	REAL250004621329	1	42	-1.0	-47.49	335.52	0.36	-47.13
O=C(CCCC1=N[N-]N=N1)NC1=CN(CCO)C(=O)C=C1	REAL250004621330	0	36	-1.0	-53.43	313.55	-0.23	-53.66
O=C(CCCC1=NN=N[N-]1)NC1=CN(CCO)C(=O)C=C1	REAL250004621330	1	36	-1.0	-53.45	313.61	-0.21	-53.66
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=NC=C2C1	REAL250004621331	0	36	-1.0	-53.37	300.06	3.82	-49.55
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=NC=C2C1	REAL250004621331	1	36	-1.0	-53.35	300.12	3.84	-49.51
CC1=NNC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621332	0	35	-1.0	-48.95	291.89	2.40	-46.55
CC1=NNC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621332	1	35	-1.0	-48.98	291.95	2.42	-46.56
CC1=NNC=C1CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621333	0	35	-1.0	-37.98	303.69	3.46	-34.52
CC1=NNC=C1CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621333	1	35	-1.0	-37.92	303.76	3.46	-34.46
COC1(OC)CCN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004621334	0	41	-1.0	-48.02	318.92	0.27	-47.75
COC1(OC)CCN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004621334	1	41	-1.0	-48.00	318.98	0.28	-47.72
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CO2)CC1	REAL250004621336	0	38	-1.0	-50.48	313.10	1.92	-48.56
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CO2)CC1	REAL250004621336	1	38	-1.0	-50.48	313.16	1.93	-48.55
O=C(CCCC1=N[N-]N=N1)N1CCN(CCCF)CC1	REAL250004621338	0	40	-1.0	-47.54	318.01	2.64	-44.90
O=C(CCCC1=NN=N[N-]1)N1CCN(CCCF)CC1	REAL250004621338	1	40	-1.0	-47.54	318.07	2.66	-44.88
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CN=CN2C1	REAL250004621339	0	36	-1.0	-51.03	300.04	3.79	-47.24
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CN=CN2C1	REAL250004621339	1	36	-1.0	-51.06	300.10	3.81	-47.25
CN1C=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621340	0	37	-1.0	-50.24	307.68	1.33	-48.91
CN1C=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621340	1	37	-1.0	-50.22	307.63	1.32	-48.90
CC1=CC=CC=C1C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621341	0	39	-1.0	-48.40	321.10	5.09	-43.31
CC1=CC=CC=C1C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621341	1	39	-1.0	-48.38	321.16	5.11	-43.27
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC1CC2	REAL250004621342	0	42	-1.0	-46.39	319.74	4.63	-41.76
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC1CC2	REAL250004621342	1	42	-1.0	-46.42	319.80	4.65	-41.77
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CCC1	REAL250004621343	0	40	-1.0	-45.50	306.29	3.74	-41.76
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CCC1	REAL250004621343	1	40	-1.0	-45.53	306.35	3.75	-41.78
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C	REAL250004621344	0	37	-1.0	-52.85	288.43	6.00	-46.85
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C	REAL250004621344	1	37	-1.0	-52.69	288.53	6.02	-46.67
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004621345	0	34	-1.0	-35.89	274.53	3.86	-32.03
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004621345	1	34	-1.0	-35.85	274.60	3.86	-31.99
O=C(NC1CCCC2CC21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621346	0	39	-1.0	-53.09	313.75	6.67	-46.42
O=C(NC1CCCC2CC21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621346	1	39	-1.0	-52.87	313.83	6.68	-46.19
O=C(NC1CCCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621347	0	36	-1.0	-35.08	299.57	3.57	-31.51
O=C(NC1CCCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621347	1	36	-1.0	-35.05	299.64	3.58	-31.47
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004621348	0	43	-1.0	-44.62	341.78	4.06	-40.56
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004621348	1	43	-1.0	-44.63	341.84	4.07	-40.56
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004621349	0	34	-1.0	-48.16	290.07	2.87	-45.29
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004621349	1	34	-1.0	-48.19	290.13	2.89	-45.30
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(F)F	REAL250004621350	0	34	-1.0	-36.89	300.67	2.66	-34.23
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(F)F	REAL250004621350	1	34	-1.0	-36.85	300.74	2.67	-34.18
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621351	0	39	-1.0	-47.45	325.16	2.45	-45.00
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621351	1	39	-1.0	-47.46	325.22	2.47	-44.99
CC1=CC=C([C@@H]2C[C@H]2NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621352	0	39	-1.0	-48.54	328.11	5.57	-42.97
CC1=CC=C([C@@H]2C[C@H]2NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621352	1	39	-1.0	-48.52	328.17	5.59	-42.93
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCOC1	REAL250004621354	0	43	-1.0	-49.77	329.47	-0.89	-50.66
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCOC1	REAL250004621354	1	43	-1.0	-49.81	329.53	-0.88	-50.69
CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621355	0	42	-1.0	-46.35	336.66	3.00	-43.35
CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621355	1	42	-1.0	-46.37	336.72	3.02	-43.35
CC1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCOCC2	REAL250004621356	0	43	-1.0	-47.60	328.87	3.94	-43.66
CC1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCOCC2	REAL250004621356	1	43	-1.0	-47.56	328.92	3.96	-43.60
CSC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621357	0	33	-1.0	-45.50	296.80	4.55	-40.95
CSC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621357	1	33	-1.0	-45.49	296.85	4.57	-40.92
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CC=CC2	REAL250004621358	0	43	-1.0	-48.07	336.94	6.35	-41.72
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CC=CC2	REAL250004621358	1	43	-1.0	-48.11	337.00	6.36	-41.75
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=O)CCCC2=C1	REAL250004621359	0	38	-1.0	-54.39	317.67	4.96	-49.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=O)CCCC2=C1	REAL250004621359	1	38	-1.0	-54.40	317.72	4.98	-49.42
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621362	0	42	-1.0	-46.79	322.69	2.16	-44.63
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621362	1	42	-1.0	-46.78	322.75	2.17	-44.61
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCC1	REAL250004621363	0	39	-1.0	-46.91	322.86	2.63	-44.28
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCC1	REAL250004621363	1	39	-1.0	-46.93	322.92	2.65	-44.28
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCCC1	REAL250004621364	0	45	-1.0	-45.47	340.64	6.26	-39.21
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCCC1	REAL250004621364	1	45	-1.0	-45.45	340.69	6.27	-39.18
C#CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004621365	0	37	-1.0	-39.22	308.12	7.24	-31.98
C#CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004621365	1	37	-1.0	-39.08	308.23	7.24	-31.84
C#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004621366	0	34	-1.0	-36.24	291.50	4.90	-31.34
C#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004621366	1	34	-1.0	-36.20	291.57	4.91	-31.29
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(N)=O)=C1	REAL250004621367	0	36	-1.0	-50.29	304.34	1.28	-49.01
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(N)=O)=C1	REAL250004621367	1	36	-1.0	-50.32	304.39	1.30	-49.02
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CN=C2)C1	REAL250004621368	0	38	-1.0	-50.29	314.82	4.49	-45.80
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CN=C2)C1	REAL250004621368	1	38	-1.0	-50.30	314.76	4.48	-45.82
C#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621369	0	37	-1.0	-47.96	303.33	5.40	-42.56
C#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621369	1	37	-1.0	-47.95	303.39	5.41	-42.54
C#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621370	0	37	-1.0	-37.58	311.68	5.60	-31.98
C#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621370	1	37	-1.0	-37.62	311.74	5.61	-32.01
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(Cl)=C1C	REAL250004621371	0	35	-1.0	-45.67	302.79	5.11	-40.56
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(Cl)=C1C	REAL250004621371	1	35	-1.0	-45.67	302.85	5.13	-40.54
CC(C)(C)OC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621372	0	43	-1.0	-48.28	351.05	4.06	-44.22
CC(C)(C)OC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621372	1	43	-1.0	-48.31	351.10	4.07	-44.24
CN1N=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004621373	0	34	-1.0	-60.83	296.48	1.96	-58.87
CN1N=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004621373	1	34	-1.0	-60.85	296.43	1.94	-58.91
CC1=CC=CC(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)=C1	REAL250004621374	0	42	-1.0	-48.58	338.16	6.09	-42.49
CC1=CC=CC(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)=C1	REAL250004621374	1	42	-1.0	-48.60	338.22	6.10	-42.50
CCO[C@@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1SC	REAL250004621375	0	40	-1.0	-52.37	344.54	3.05	-49.32
CCO[C@@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1SC	REAL250004621375	1	40	-1.0	-52.35	344.60	3.07	-49.28
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCOC1	REAL250004621376	0	43	-1.0	-51.75	328.08	4.70	-47.05
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCOC1	REAL250004621376	1	43	-1.0	-51.75	328.13	4.72	-47.03
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(CO)C=C1	REAL250004621377	0	36	-1.0	-48.37	311.89	0.81	-47.56
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(CO)C=C1	REAL250004621377	1	36	-1.0	-48.41	311.95	0.82	-47.59
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621378	0	34	-1.0	-48.41	302.27	4.78	-43.63
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621378	1	34	-1.0	-48.48	302.33	4.80	-43.68
CC1(CC(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621379	0	35	-1.0	-52.71	296.21	4.19	-48.52
CC1(CC(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621379	1	35	-1.0	-52.69	296.27	4.21	-48.48
CCN(OC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621380	0	36	-1.0	-46.51	308.88	0.78	-45.73
CCN(OC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621380	1	36	-1.0	-46.51	308.94	0.80	-45.71
CC(C)O[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621381	0	39	-1.0	-48.09	316.43	3.50	-44.59
CC(C)O[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621381	1	39	-1.0	-48.09	316.49	3.52	-44.57
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)C1	REAL250004621382	0	35	-1.0	-50.95	286.19	3.19	-47.76
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)C1	REAL250004621382	1	35	-1.0	-50.95	286.26	3.20	-47.75
O=C(NC1CCCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621383	0	35	-1.0	-37.56	296.79	2.99	-34.57
O=C(NC1CCCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621383	1	35	-1.0	-37.53	296.86	3.00	-34.53
O=C(CCCC1=N[N-]N=N1)NC1=NNC=C1C1CC1	REAL250004621384	0	33	-1.0	-53.72	285.30	3.12	-50.60
O=C(CCCC1=NN=N[N-]1)NC1=NNC=C1C1CC1	REAL250004621384	1	33	-1.0	-53.72	285.36	3.13	-50.59
O=C(NC1=NNC=C1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621385	0	33	-1.0	-40.82	295.87	2.91	-37.91
O=C(NC1=NNC=C1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621385	1	33	-1.0	-40.80	295.94	2.92	-37.88
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004621386	0	34	-1.0	-48.14	295.50	2.28	-45.86
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004621386	1	34	-1.0	-48.18	295.56	2.30	-45.88
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004621387	0	34	-1.0	-37.88	306.09	2.08	-35.80
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004621387	1	34	-1.0	-37.84	306.16	2.08	-35.76
CC1OCCC1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004621388	0	37	-1.0	-47.74	307.07	-0.08	-47.82
CC1OCCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004621388	1	37	-1.0	-47.76	307.13	-0.06	-47.82
CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621389	0	34	-1.0	-58.52	297.37	0.73	-57.79
CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621389	1	34	-1.0	-58.50	297.43	0.75	-57.75
CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004621390	0	34	-1.0	-44.60	307.96	0.53	-44.07
CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004621390	1	34	-1.0	-44.56	308.03	0.54	-44.02
O=C(CCCC1=N[N-]N=N1)OC1=CC=CC2=C1OCCC2	REAL250004621391	0	36	-1.0	-48.79	306.36	6.75	-42.04
O=C(CCCC1=NN=N[N-]1)OC1=CC=CC2=C1OCCC2	REAL250004621391	1	36	-1.0	-48.79	306.42	6.76	-42.03
CC(C)(C)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004621392	0	42	-1.0	-59.53	336.53	2.64	-56.89
CC(C)(C)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004621392	1	42	-1.0	-59.52	336.58	2.65	-56.87
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(F)C1	REAL250004621393	0	38	-1.0	-46.46	305.95	3.91	-42.55
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(F)C1	REAL250004621393	1	38	-1.0	-46.48	306.00	3.93	-42.55
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004621394	0	39	-1.0	-47.35	328.13	5.59	-41.76
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004621394	1	39	-1.0	-47.35	328.19	5.61	-41.74
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004621395	0	43	-1.0	-44.59	341.78	4.06	-40.53
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004621395	1	43	-1.0	-44.59	341.84	4.07	-40.52
O=C(CCCC1=N[N-]N=N1)NC[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004621396	0	39	-1.0	-47.36	328.13	5.59	-41.77
O=C(CCCC1=NN=N[N-]1)NC[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004621396	1	39	-1.0	-47.36	328.19	5.61	-41.75
CCCCC(C)(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621397	0	41	-1.0	-46.01	320.50	0.62	-45.39
CCCCC(C)(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621397	1	41	-1.0	-46.02	320.56	0.64	-45.38
CCC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004621398	0	43	-1.0	-50.34	351.40	4.41	-45.93
CCC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004621398	1	43	-1.0	-50.39	351.45	4.42	-45.97
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004621399	0	39	-1.0	-47.18	296.22	5.18	-42.00
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004621399	1	39	-1.0	-47.14	296.28	5.20	-41.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004621400	0	39	-1.0	-36.91	303.21	5.32	-31.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004621400	1	39	-1.0	-36.87	303.27	5.34	-31.53
CC1(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621401	0	33	-1.0	-59.69	282.15	-0.68	-60.37
CC1(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621401	1	33	-1.0	-59.73	282.20	-0.67	-60.40
CC1(C(N)=O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621402	0	33	-1.0	-45.68	290.11	-0.75	-46.43
CC1(C(N)=O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621402	1	33	-1.0	-45.63	290.18	-0.74	-46.37
CN1C=NC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621403	0	37	-1.0	-53.38	319.71	3.28	-50.10
CN1C=NC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621403	1	37	-1.0	-53.36	319.77	3.30	-50.06
N#CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621404	0	36	-1.0	-52.58	321.33	4.65	-47.93
N#CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621404	1	36	-1.0	-52.55	321.38	4.67	-47.88
CO[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621405	0	34	-1.0	-48.08	287.24	-0.96	-49.04
CO[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621405	1	34	-1.0	-48.06	287.30	-0.95	-49.01
CO[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621406	0	34	-1.0	-36.22	297.57	-1.16	-37.38
CO[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621406	1	34	-1.0	-36.17	297.64	-1.16	-37.33
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2OCC[C@@H]2C1	REAL250004621407	0	37	-1.0	-47.18	288.43	2.62	-44.56
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2OCC[C@@H]2C1	REAL250004621407	1	37	-1.0	-47.17	288.49	2.64	-44.53
O=C(CCCC1=N[N-]N=N1)NC1(CC(F)(F)F)CC1	REAL250004621408	0	32	-1.0	-46.05	286.52	3.37	-42.68
O=C(CCCC1=NN=N[N-]1)NC1(CC(F)(F)F)CC1	REAL250004621408	1	32	-1.0	-46.03	286.58	3.38	-42.65
CC(=O)NCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621409	0	35	-1.0	-55.16	298.08	0.93	-54.23
CC(=O)NCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621409	1	35	-1.0	-55.19	298.13	0.95	-54.24
CC(=O)NCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621410	0	35	-1.0	-43.68	305.74	1.34	-42.34
CC(=O)NCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621410	1	35	-1.0	-43.66	305.82	1.37	-42.29
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C	REAL250004621411	0	38	-1.0	-51.00	316.48	4.05	-46.95
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C	REAL250004621411	1	38	-1.0	-51.02	316.54	4.07	-46.95
CCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621412	0	32	-1.0	-55.77	278.79	5.25	-50.52
CCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621412	1	32	-1.0	-55.59	278.86	5.27	-50.32
CC1=CC(CC(=O)NNC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621413	0	36	-1.0	-52.37	317.50	-0.07	-52.44
CC1=CC(CC(=O)NNC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621413	1	36	-1.0	-52.36	317.56	-0.06	-52.42
CC1=NNC(CC(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621413	1	36	-1.0	-51.31	318.35	-0.18	-51.49
CC1=NNC(CC(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621413	1	36	-1.0	-51.30	318.41	-0.16	-51.46
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC(F)(F)F	REAL250004621414	0	29	-1.0	-48.91	273.92	0.36	-48.55
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC(F)(F)F	REAL250004621414	1	29	-1.0	-48.90	273.97	0.37	-48.53
CC1CC1C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621415	0	36	-1.0	-47.99	307.30	3.57	-44.42
CC1CC1C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621415	1	36	-1.0	-47.98	307.36	3.58	-44.40
CCCC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621416	0	41	-1.0	-47.48	334.62	4.10	-43.38
CCCC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621416	1	41	-1.0	-47.54	334.68	4.12	-43.42
CCN(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621417	0	34	-1.0	-38.32	298.18	-1.19	-39.51
CCN(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621417	1	34	-1.0	-38.31	298.25	-1.18	-39.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)NC(=O)N1	REAL250004621418	0	32	-1.0	-51.00	288.29	-2.45	-53.45
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)NC(=O)N1	REAL250004621418	1	32	-1.0	-50.98	288.35	-2.44	-53.42
CC(CO)N(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621419	0	37	-1.0	-57.49	302.64	2.18	-55.31
CC(CO)N(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621419	1	37	-1.0	-57.30	302.72	2.20	-55.10
CC(CO)N(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621420	0	34	-1.0	-37.94	288.51	-1.01	-38.95
CC(CO)N(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621420	1	34	-1.0	-37.93	288.57	-1.00	-38.93
CC(=O)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621422	0	42	-1.0	-52.62	349.75	4.26	-48.36
CC(=O)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621422	1	42	-1.0	-52.62	349.81	4.28	-48.34
CCN1N=NC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621424	0	37	-1.0	-47.79	316.36	1.24	-46.55
CCN1N=NC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621424	1	37	-1.0	-47.80	316.41	1.25	-46.55
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCCO1	REAL250004621425	0	34	-1.0	-48.49	294.12	0.24	-48.25
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCCO1	REAL250004621425	1	34	-1.0	-48.46	294.18	0.26	-48.20
CN1N=CN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621426	0	37	-1.0	-51.68	317.36	3.21	-48.47
CN1N=CN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621426	1	37	-1.0	-51.70	317.42	3.23	-48.47
CCON(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004621427	0	38	-1.0	-49.05	310.52	6.85	-42.20
CCON(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004621427	1	38	-1.0	-48.91	310.62	6.86	-42.05
CCON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004621428	0	35	-1.0	-35.96	295.16	4.31	-31.65
CCON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004621428	1	35	-1.0	-35.97	295.23	4.32	-31.65
O=C(CCCC1=N[N-]N=N1)N1CC2=CC(F)=C(F)C=C2C1	REAL250004621429	0	33	-1.0	-47.43	294.61	5.13	-42.30
O=C(CCCC1=NN=N[N-]1)N1CC2=CC(F)=C(F)C=C2C1	REAL250004621429	1	33	-1.0	-47.42	294.66	5.15	-42.27
COC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004621430	0	37	-1.0	-49.01	311.41	4.31	-44.70
COC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004621430	1	37	-1.0	-49.04	311.46	4.33	-44.71
N#CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004621431	0	34	-1.0	-50.34	302.76	5.41	-44.93
N#CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004621431	1	34	-1.0	-50.35	302.82	5.42	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1CN(C2CC2)C(=O)O1	REAL250004621432	0	38	-1.0	-55.04	321.29	1.79	-53.25
O=C(CCCC1=NN=N[N-]1)NCC1CN(C2CC2)C(=O)O1	REAL250004621432	1	38	-1.0	-55.03	321.35	1.81	-53.22
CC(C)CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621433	0	41	-1.0	-47.82	336.06	4.14	-43.68
CC(C)CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621433	1	41	-1.0	-47.84	336.12	4.16	-43.68
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)CC1C1CC1	REAL250004621434	0	38	-1.0	-46.88	305.67	4.66	-42.22
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)CC1C1CC1	REAL250004621434	1	38	-1.0	-46.94	305.73	4.67	-42.27
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CO)C=C1	REAL250004621435	0	33	-1.0	-50.24	286.08	0.68	-49.56
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CO)C=C1	REAL250004621435	1	33	-1.0	-50.26	286.13	0.69	-49.57
O=C(NC1=CC=C(CO)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621436	0	33	-1.0	-38.15	296.75	0.48	-37.67
O=C(NC1=CC=C(CO)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621436	1	33	-1.0	-37.96	296.39	0.47	-37.49
O=C(CCCC1=N[N-]N=N1)N1[C@H](CO)CC[C@H]1CO	REAL250004621437	0	37	-1.0	-48.56	292.79	-2.34	-50.90
O=C(CCCC1=NN=N[N-]1)N1[C@H](CO)CC[C@H]1CO	REAL250004621437	1	37	-1.0	-48.57	292.84	-2.32	-50.89
CC1CCC(C(N)=O)C(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004621438	0	42	-1.0	-49.12	313.35	1.06	-48.06
CC1CCC(C(N)=O)C(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004621438	1	42	-1.0	-49.08	313.41	1.08	-48.00
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004621439	0	33	-1.0	-47.34	287.75	0.86	-46.48
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004621439	1	33	-1.0	-47.35	287.81	0.87	-46.48
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CC=N1	REAL250004621440	0	33	-1.0	-38.20	298.35	0.65	-37.55
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004621440	1	33	-1.0	-38.17	298.42	0.66	-37.51
CON(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621441	0	37	-1.0	-48.65	309.91	0.39	-48.26
CON(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621441	1	37	-1.0	-48.68	309.97	0.40	-48.28
CON(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621442	0	37	-1.0	-36.73	320.50	0.18	-36.55
CON(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621442	1	37	-1.0	-36.70	320.57	0.20	-36.50
CN1C(=O)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621443	0	32	-1.0	-48.88	283.70	-0.16	-49.04
CN1C(=O)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621443	1	32	-1.0	-48.89	283.75	-0.14	-49.03
O=C(CCCC1=N[N-]N=N1)NCC1CCC2=CC=CN=C21	REAL250004621444	0	38	-1.0	-49.29	317.17	3.78	-45.51
O=C(CCCC1=NN=N[N-]1)NCC1CCC2=CC=CN=C21	REAL250004621444	1	38	-1.0	-49.27	317.22	3.79	-45.48
O=C(CCCC1=NN=N[N-]1)NCCN1C=CN=N1	REAL250004621445	0	31	-1.0	-57.94	275.44	0.24	-57.70
O=C(CCCC1=N[N-]N=N1)NCCN1C=CN=N1	REAL250004621445	1	31	-1.0	-57.89	275.38	0.22	-57.67
O=C(NCCN1C=CN=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621446	0	34	-1.0	-64.71	299.73	3.14	-61.57
O=C(NCCN1C=CN=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621446	1	34	-1.0	-64.00	300.20	3.13	-60.87
O=C(NCCN1C=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621447	0	31	-1.0	-43.35	286.06	0.03	-43.32
O=C(NCCN1C=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621447	1	31	-1.0	-43.34	285.99	0.02	-43.32
CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004621448	0	43	-1.0	-51.88	348.17	4.01	-47.87
CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004621448	1	43	-1.0	-51.89	348.23	4.03	-47.86
C#CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004621449	0	37	-1.0	-55.59	305.29	7.19	-48.40
C#CC1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004621449	1	37	-1.0	-54.05	305.49	7.27	-46.78
C#CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621450	0	34	-1.0	-36.33	291.50	4.90	-31.43
C#CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621450	1	34	-1.0	-36.27	291.57	4.90	-31.37
CN1N=NC2=C1CCC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004621451	0	38	-1.0	-58.63	316.03	1.66	-56.97
CN1N=NC2=C1CCC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004621451	1	38	-1.0	-58.61	316.08	1.68	-56.93
COCC(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621452	0	44	-1.0	-45.95	341.59	2.80	-43.15
COCC(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621452	1	44	-1.0	-46.01	341.65	2.82	-43.19
CC(CC1=CC=CC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621453	0	37	-1.0	-52.27	314.85	3.35	-48.92
CC(CC1=CC=CC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621453	1	37	-1.0	-52.29	314.91	3.36	-48.93
CC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004621454	0	37	-1.0	-48.79	311.76	4.51	-44.28
CC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004621454	1	37	-1.0	-48.77	311.82	4.53	-44.24
NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004621455	0	34	-1.0	-56.88	284.54	-3.27	-60.15
NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004621455	1	34	-1.0	-56.89	284.59	-3.26	-60.15
CC1=NOC(C(C)N(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621456	0	36	-1.0	-48.88	303.16	1.57	-47.31
CC1=NOC(C(C)N(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621456	1	36	-1.0	-48.94	303.21	1.59	-47.35
CCOC(=O)C(C)(C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004621457	0	38	-1.0	-57.49	325.21	4.57	-52.92
CCOC(=O)C(C)(C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004621457	1	38	-1.0	-57.50	325.27	4.58	-52.92
CCCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004621458	0	40	-1.0	-38.08	313.57	7.02	-31.06
CCCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004621458	1	40	-1.0	-37.95	313.69	7.02	-30.93
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004621459	0	37	-1.0	-35.75	297.46	5.32	-30.43
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004621459	1	37	-1.0	-35.73	297.53	5.32	-30.41
CCCCOC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621460	0	43	-1.0	-44.45	350.74	4.39	-40.06
CCCCOC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621460	1	43	-1.0	-44.47	350.80	4.41	-40.06
C[C@@H](ONC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621461	0	36	-1.0	-52.12	312.38	5.30	-46.82
C[C@@H](ONC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621461	1	36	-1.0	-52.13	312.44	5.30	-46.83
O=C(NCCCC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621462	0	38	-1.0	-52.69	318.16	6.47	-46.22
O=C(NCCCC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621462	1	38	-1.0	-52.47	318.26	6.49	-45.98
O=C(NCCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621463	0	35	-1.0	-34.95	304.38	3.36	-31.59
O=C(NCCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621463	1	35	-1.0	-34.92	304.45	3.38	-31.54
O=C(N[C@@H]1CC[C@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621465	0	36	-1.0	-53.07	299.55	2.11	-50.96
O=C(N[C@@H]1CC[C@H](O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621465	1	36	-1.0	-52.93	299.23	2.15	-50.78
O=C(N[C@@H]1CC[C@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621466	0	33	-1.0	-36.57	285.49	-0.99	-37.56
O=C(N[C@@H]1CC[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621466	1	33	-1.0	-36.54	285.56	-0.98	-37.52
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=C2)=C1	REAL250004621467	0	36	-1.0	-49.14	310.26	4.30	-44.84
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CC=C2)=C1	REAL250004621467	1	36	-1.0	-49.15	310.32	4.32	-44.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=O)CCC2=C1	REAL250004621468	0	35	-1.0	-49.37	301.26	4.34	-45.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=O)CCC2=C1	REAL250004621468	1	35	-1.0	-49.36	301.32	4.35	-45.01
O=C(CCCC1=N[N-]N=N1)N1CCOC1C(F)(F)F	REAL250004621469	0	30	-1.0	-49.15	268.49	1.25	-47.90
O=C(CCCC1=NN=N[N-]1)N1CCOC1C(F)(F)F	REAL250004621469	1	30	-1.0	-49.20	268.55	1.27	-47.93
CC(C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621470	0	38	-1.0	-47.97	315.64	3.41	-44.56
CC(C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621470	1	38	-1.0	-47.98	315.69	3.42	-44.56
CCCCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621471	0	38	-1.0	-48.03	318.49	3.64	-44.39
CCCCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621471	1	38	-1.0	-48.04	318.55	3.65	-44.39
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004621473	0	35	-1.0	-48.13	291.23	3.57	-44.56
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004621473	1	35	-1.0	-48.14	291.17	3.56	-44.58
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004621474	0	35	-1.0	-37.24	297.25	4.29	-32.95
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004621474	1	35	-1.0	-37.24	297.18	4.27	-32.97
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NNC=C1	REAL250004621477	0	36	-1.0	-51.52	307.54	3.99	-47.53
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NNC=C1	REAL250004621477	1	36	-1.0	-51.50	307.60	4.00	-47.50
CN1C=C(O)C(=O)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621478	0	36	-1.0	-54.73	309.08	0.95	-53.78
CN1C=C(O)C(=O)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621478	1	36	-1.0	-54.72	309.14	0.97	-53.75
O=C(CCCC1=N[N-]N=N1)N1CCCCCC1CO	REAL250004621479	0	39	-1.0	-48.07	292.38	3.26	-44.81
O=C(CCCC1=NN=N[N-]1)N1CCCCCC1CO	REAL250004621479	1	39	-1.0	-48.09	292.44	3.28	-44.81
O=C(CCCC1=NN=N[N-]1)NC1=CN2N=CN=C2C=C1	REAL250004621480	0	31	-1.0	-50.63	278.30	3.81	-46.82
O=C(CCCC1=N[N-]N=N1)NC1=CN2N=CN=C2C=C1	REAL250004621480	1	31	-1.0	-50.57	278.24	3.80	-46.77
O=C(CCCC1=N[N-]N=N1)NCC=C(Cl)Cl	REAL250004621481	0	26	-1.0	-46.24	262.52	2.12	-44.12
O=C(CCCC1=NN=N[N-]1)NCC=C(Cl)Cl	REAL250004621481	1	26	-1.0	-46.22	262.57	2.14	-44.08
O=C(NCC=C(Cl)Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621482	0	26	-1.0	-34.77	273.11	1.91	-32.86
O=C(NCC=C(Cl)Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621482	1	26	-1.0	-34.76	273.18	1.92	-32.84
COCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004621483	0	36	-1.0	-55.80	301.97	4.20	-51.60
COCC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004621483	1	36	-1.0	-55.63	302.45	4.15	-51.48
COCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621484	0	33	-1.0	-38.23	289.45	1.66	-36.57
COCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621484	1	33	-1.0	-38.21	289.52	1.68	-36.53
O=C(CCCC1=NN=N[N-]1)NC1=CN=CN=C1N1C=CC=N1	REAL250004621485	0	34	-1.0	-48.46	299.32	4.16	-44.30
O=C(CCCC1=N[N-]N=N1)NC1=CN=CN=C1N1C=CC=N1	REAL250004621485	1	34	-1.0	-48.45	299.26	4.14	-44.31
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NNC=N2)CC1	REAL250004621486	0	37	-1.0	-52.77	305.42	3.79	-48.98
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NNC=N2)CC1	REAL250004621486	1	37	-1.0	-52.84	305.47	3.81	-49.03
O=C(CCCC1=NN=N[N-]1)NCCCOC1=NC=CC=N1	REAL250004621487	0	37	-1.0	-52.86	322.82	-0.72	-53.58
O=C(CCCC1=N[N-]N=N1)NCCCOC1=NC=CC=N1	REAL250004621487	1	37	-1.0	-52.83	322.77	-0.73	-53.56
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2CC2)=CN1	REAL250004621488	0	33	-1.0	-45.81	283.63	4.86	-40.95
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2CC2)=CN1	REAL250004621488	1	33	-1.0	-45.83	283.69	4.88	-40.95
O=C(NC1=NC(C2CC2)=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621489	0	33	-1.0	-36.43	294.20	4.65	-31.78
O=C(NC1=NC(C2CC2)=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621489	1	33	-1.0	-36.37	294.26	4.65	-31.72
CC(C)(CO)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004621490	0	42	-1.0	-46.58	323.07	2.03	-44.55
CC(C)(CO)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004621490	1	42	-1.0	-46.61	323.13	2.05	-44.56
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)CC12CCC2	REAL250004621491	0	38	-1.0	-46.31	299.33	4.16	-42.15
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)CC12CCC2	REAL250004621491	1	38	-1.0	-46.33	299.39	4.18	-42.15
CC1C(=O)N(C)C(C)C(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004621492	0	42	-1.0	-46.87	325.66	3.81	-43.06
CC1C(=O)N(C)C(C)C(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004621492	1	42	-1.0	-46.87	325.72	3.83	-43.04
CN(C(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL250004621493	0	29	-1.0	-49.06	256.99	3.92	-45.14
CN(C(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL250004621493	1	29	-1.0	-49.09	257.05	3.93	-45.16
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CSC=C1	REAL250004621494	0	29	-1.0	-36.00	264.07	4.30	-31.70
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CSC=C1	REAL250004621494	1	29	-1.0	-36.01	264.13	4.31	-31.70
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NNC(=O)N1C	REAL250004621495	0	35	-1.0	-49.79	297.68	0.17	-49.62
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NNC(=O)N1C	REAL250004621495	1	35	-1.0	-49.81	297.74	0.19	-49.62
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)N1C1CC1	REAL250004621496	0	36	-1.0	-48.32	310.82	1.43	-46.89
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)N1C1CC1	REAL250004621496	1	36	-1.0	-48.36	310.88	1.45	-46.91
O=C(NC1=CSN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621497	0	28	-1.0	-51.95	262.59	3.92	-48.03
O=C(NC1=CSN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621497	1	28	-1.0	-51.78	262.68	3.92	-47.86
O=C(NC1=CSN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621498	0	25	-1.0	-34.78	248.41	0.84	-33.94
O=C(NC1=CSN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621498	1	25	-1.0	-34.79	248.34	0.82	-33.97
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCCO1	REAL250004621499	0	37	-1.0	-49.50	305.25	2.46	-47.04
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCCO1	REAL250004621499	1	37	-1.0	-49.51	305.31	2.48	-47.03
O=C(CCCC1=N[N-]N=N1)NNC(=S)NCC1CCC1	REAL250004621501	0	38	-1.0	-52.24	328.91	3.64	-48.60
O=C(CCCC1=NN=N[N-]1)NNC(=S)NCC1CCC1	REAL250004621501	1	38	-1.0	-52.30	328.97	3.65	-48.65
CCC(O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621502	0	42	-1.0	-48.92	318.07	3.72	-45.20
CCC(O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621502	1	42	-1.0	-48.92	318.13	3.74	-45.18
C=CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621503	0	38	-1.0	-46.59	317.98	4.13	-42.46
C=CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621503	1	38	-1.0	-46.59	318.04	4.14	-42.45
C=CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621504	0	38	-1.0	-35.04	328.57	3.92	-31.12
C=CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621504	1	38	-1.0	-35.06	328.64	3.93	-31.13
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004621505	0	40	-1.0	-50.65	333.19	3.55	-47.10
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004621505	1	40	-1.0	-50.70	333.25	3.56	-47.14
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004621506	0	35	-1.0	-52.48	295.52	2.49	-49.99
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004621506	1	35	-1.0	-52.47	295.46	2.48	-49.99
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004621507	0	35	-1.0	-38.86	306.11	2.29	-36.57
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004621507	1	35	-1.0	-38.91	306.04	2.28	-36.63
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004621508	0	32	-1.0	-47.16	288.72	4.46	-42.70
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004621508	1	32	-1.0	-47.13	288.78	4.47	-42.66
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004621509	1	46	-1.0	-46.91	331.86	3.39	-43.52
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004621509	1	46	-1.0	-46.97	331.92	3.41	-43.56
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004621509	1	46	-1.0	-46.91	331.86	3.39	-43.52
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004621509	1	46	-1.0	-46.97	331.92	3.41	-43.56
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCCC2=C1	REAL250004621510	0	39	-1.0	-49.68	323.68	2.79	-46.89
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCCC2=C1	REAL250004621510	1	39	-1.0	-49.74	323.74	2.80	-46.94
CC1=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621512	0	29	-1.0	-51.59	272.94	2.04	-49.55
CC1=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621512	1	29	-1.0	-51.58	273.00	2.05	-49.53
CC1=CC2=C(NC(=O)CCCC3=NN=N[N-]3)N=CC=C2C=C1	REAL250004621513	0	37	-1.0	-54.01	313.62	6.07	-47.94
CC1=CC2=C(NC(=O)CCCC3=N[N-]N=N3)N=CC=C2C=C1	REAL250004621513	1	37	-1.0	-54.00	313.56	6.06	-47.94
CC1CCCCN1NC(=O)CCCC1=N[N-]N=N1	REAL250004621514	0	37	-1.0	-48.17	297.25	3.32	-44.85
CC1CCCCN1NC(=O)CCCC1=NN=N[N-]1	REAL250004621514	1	37	-1.0	-48.18	297.31	3.33	-44.85
CC1CCCCN1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621515	0	37	-1.0	-36.07	307.85	3.09	-32.98
CC1CCCCN1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621515	1	37	-1.0	-36.01	307.92	3.10	-32.91
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NC=N1	REAL250004621516	0	34	-1.0	-51.27	297.89	3.68	-47.59
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NC=N1	REAL250004621516	1	34	-1.0	-51.28	297.84	3.66	-47.62
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621517	0	34	-1.0	-41.91	308.50	3.47	-38.44
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621517	1	34	-1.0	-41.89	308.43	3.47	-38.42
CC(CO)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621518	0	39	-1.0	-46.21	316.24	1.55	-44.66
CC(CO)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621518	1	39	-1.0	-46.18	316.30	1.56	-44.62
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)S1	REAL250004621519	0	31	-1.0	-56.48	287.83	3.09	-53.39
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(C2CC2)S1	REAL250004621519	1	31	-1.0	-56.48	287.83	3.09	-53.39
COC1=C(C)C=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621520	0	39	-1.0	-47.12	329.03	3.59	-43.53
COC1=C(C)C=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621520	1	39	-1.0	-47.13	329.08	3.60	-43.53
CC(C)(C)N1N=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621521	0	39	-1.0	-48.60	332.44	1.25	-47.35
CC(C)(C)N1N=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621521	1	39	-1.0	-48.63	332.50	1.26	-47.37
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004621522	0	42	-1.0	-47.56	326.30	3.26	-44.30
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004621522	1	42	-1.0	-47.55	326.36	3.27	-44.28
CC(NC(=S)NNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004621523	0	38	-1.0	-52.15	329.36	3.71	-48.44
CC(NC(=S)NNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004621523	1	38	-1.0	-52.19	329.42	3.73	-48.46
CON(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621524	0	37	-1.0	-52.45	313.16	2.48	-49.97
CON(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621524	1	37	-1.0	-52.23	313.23	2.50	-49.73
CON(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621525	0	34	-1.0	-35.96	299.00	-0.60	-36.56
CON(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621525	1	34	-1.0	-35.91	299.07	-0.59	-36.50
CCN1N=C(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621526	0	34	-1.0	-54.77	294.72	5.14	-49.63
CCN1N=C(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621526	1	34	-1.0	-54.80	294.78	5.16	-49.64
CCN1N=C(C)N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621527	0	34	-1.0	-39.29	305.29	4.94	-34.35
CCN1N=C(C)N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621527	1	34	-1.0	-39.26	305.36	4.94	-34.32
O=C(CCCC1=N[N-]N=N1)NC1=NC=C2NC=CC2=C1	REAL250004621528	0	32	-1.0	-55.27	280.70	3.09	-52.18
O=C(CCCC1=NN=N[N-]1)NC1=NC=C2NC=CC2=C1	REAL250004621528	1	32	-1.0	-55.30	280.75	3.11	-52.19
O=C(CCCC1=N[N-]N=N1)N1CC2(CC2(F)F)C1	REAL250004621529	0	30	-1.0	-51.54	272.83	3.71	-47.83
O=C(CCCC1=NN=N[N-]1)N1CC2(CC2(F)F)C1	REAL250004621529	1	30	-1.0	-51.52	272.88	3.72	-47.80
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2(F)F)C1	REAL250004621530	0	30	-1.0	-36.45	280.81	3.59	-32.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2(F)F)C1	REAL250004621530	1	30	-1.0	-36.48	280.88	3.60	-32.88
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621531	0	36	-1.0	-48.39	305.05	1.66	-46.73
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621531	1	36	-1.0	-48.42	305.11	1.67	-46.75
COCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004621532	0	36	-1.0	-36.47	314.89	1.51	-34.96
COCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004621532	1	36	-1.0	-36.43	314.96	1.52	-34.91
CCOC(=O)CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004621533	0	43	-1.0	-49.33	347.49	5.57	-43.76
CCOC(=O)CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004621533	1	43	-1.0	-49.34	347.55	5.59	-43.75
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004621535	0	38	-1.0	-49.36	314.85	5.01	-44.35
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004621535	1	38	-1.0	-49.38	314.91	5.02	-44.36
COC(C)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621536	0	36	-1.0	-50.43	293.98	-2.25	-52.68
COC(C)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621536	1	36	-1.0	-50.43	294.04	-2.23	-52.66
COC(C)(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621537	0	36	-1.0	-39.33	304.57	-2.46	-41.79
COC(C)(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621537	1	36	-1.0	-39.29	304.64	-2.44	-41.73
O=C(CCCC1=N[N-]N=N1)NC1CC(C2CCCCC2)C1	REAL250004621539	0	45	-1.0	-46.20	349.29	5.78	-40.42
O=C(CCCC1=NN=N[N-]1)NC1CC(C2CCCCC2)C1	REAL250004621539	1	45	-1.0	-46.21	349.35	5.80	-40.41
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621540	0	42	-1.0	-50.29	336.50	3.01	-47.28
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621540	1	42	-1.0	-50.30	336.55	3.02	-47.28
CC1=NOC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621541	0	33	-1.0	-50.85	288.48	1.21	-49.64
CC1=NOC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621541	1	33	-1.0	-50.92	288.54	1.23	-49.69
O=C(CCCC1=N[N-]N=N1)N1CCCC1CC1CCCC1	REAL250004621542	0	45	-1.0	-48.64	338.44	6.61	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC1CC1CCCC1	REAL250004621542	1	45	-1.0	-48.66	338.50	6.62	-42.04
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCCCO1	REAL250004621543	0	43	-1.0	-47.72	338.17	4.03	-43.69
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCCCO1	REAL250004621543	1	43	-1.0	-47.72	338.23	4.05	-43.67
O=C(CCCC1=N[N-]N=N1)N1CCCC(OC2CCC2)C1	REAL250004621544	0	43	-1.0	-48.20	338.81	5.00	-43.20
O=C(CCCC1=NN=N[N-]1)N1CCCC(OC2CCC2)C1	REAL250004621544	1	43	-1.0	-48.24	338.86	5.01	-43.23
COC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621546	0	40	-1.0	-47.96	311.65	0.31	-47.65
COC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621546	1	40	-1.0	-47.96	311.71	0.32	-47.64
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004621547	0	37	-1.0	-52.35	312.17	1.32	-51.03
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004621547	1	37	-1.0	-52.38	312.23	1.34	-51.04
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC=CC1	REAL250004621548	0	36	-1.0	-53.28	295.19	5.86	-47.42
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC=CC1	REAL250004621548	1	36	-1.0	-53.07	295.30	5.86	-47.21
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CC1	REAL250004621549	0	33	-1.0	-35.23	281.46	2.73	-32.50
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CC1	REAL250004621549	1	33	-1.0	-35.18	281.52	2.73	-32.45
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=NN1C	REAL250004621550	0	34	-1.0	-49.02	293.14	0.63	-48.39
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=NN1C	REAL250004621550	1	34	-1.0	-49.05	293.20	0.64	-48.41
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=NN1C	REAL250004621551	0	34	-1.0	-39.76	303.74	0.42	-39.34
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=NN1C	REAL250004621551	1	34	-1.0	-39.75	303.80	0.43	-39.32
CC(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004621552	0	36	-1.0	-47.45	293.50	1.56	-45.89
CC(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004621552	1	36	-1.0	-47.50	293.56	1.58	-45.92
CC(O)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004621553	0	36	-1.0	-36.88	292.91	2.97	-33.91
CC(O)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004621553	1	36	-1.0	-36.86	292.97	2.97	-33.89
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@@H](O)C1	REAL250004621555	0	36	-1.0	-52.37	290.59	2.82	-49.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@@H](O)C1	REAL250004621555	1	36	-1.0	-52.21	290.68	2.82	-49.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H](O)C1	REAL250004621556	0	33	-1.0	-35.37	275.65	0.52	-34.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H](O)C1	REAL250004621556	1	33	-1.0	-35.37	275.72	0.53	-34.84
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2(F)F)C1	REAL250004621557	0	33	-1.0	-48.52	288.26	4.36	-44.16
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2(F)F)C1	REAL250004621557	1	33	-1.0	-48.57	288.32	4.38	-44.19
O=C(CCCC1=N[N-]N=N1)NCC1CS(=O)(=O)C1	REAL250004621558	0	32	-1.0	-54.05	286.33	-1.58	-55.63
O=C(CCCC1=NN=N[N-]1)NCC1CS(=O)(=O)C1	REAL250004621558	1	32	-1.0	-54.07	286.38	-1.56	-55.63
O=C(CCCC1=N[N-]N=N1)NCC1=CN(C2CCC2)N=N1	REAL250004621559	0	38	-1.0	-50.69	321.27	1.94	-48.75
O=C(CCCC1=NN=N[N-]1)NCC1=CN(C2CCC2)N=N1	REAL250004621559	1	38	-1.0	-50.70	321.33	1.95	-48.75
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004621560	0	33	-1.0	-47.35	287.75	0.86	-46.49
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004621560	1	33	-1.0	-47.36	287.81	0.87	-46.49
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CC=N1	REAL250004621561	0	33	-1.0	-38.20	298.34	0.64	-37.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004621561	1	33	-1.0	-38.18	298.41	0.66	-37.52
O=C(CCCC1=N[N-]N=N1)N1CC(N2CCOCC2)C1	REAL250004621562	0	39	-1.0	-48.03	316.67	0.47	-47.56
O=C(CCCC1=NN=N[N-]1)N1CC(N2CCOCC2)C1	REAL250004621562	1	39	-1.0	-48.03	316.72	0.48	-47.55
CC1=NOC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621563	0	31	-1.0	-51.08	273.93	4.31	-46.77
CC1=NOC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621563	1	31	-1.0	-50.88	274.04	4.33	-46.55
CC1=NOC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621564	0	28	-1.0	-34.40	260.15	1.19	-33.21
CC1=NOC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621564	1	28	-1.0	-34.42	260.21	1.21	-33.21
COC1=CNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621565	0	30	-1.0	-53.69	266.79	0.25	-53.44
COC1=CNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621565	1	30	-1.0	-53.68	266.85	0.27	-53.41
COC1=CNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621566	0	30	-1.0	-42.02	277.37	0.06	-41.96
COC1=CNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621566	1	30	-1.0	-42.03	277.43	0.08	-41.95
N#CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004621567	0	34	-1.0	-54.14	302.42	5.36	-48.78
N#CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004621567	1	34	-1.0	-54.16	302.48	5.38	-48.78
CN(C[Si](C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004621568	0	37	-1.0	-49.63	305.90	7.01	-42.62
CN(C[Si](C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004621568	1	37	-1.0	-49.64	305.96	7.02	-42.62
CN(C[Si](C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621569	0	37	-1.0	-37.72	314.73	7.45	-30.27
CN(C[Si](C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621569	1	37	-1.0	-37.64	314.80	7.46	-30.18
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004621570	0	36	-1.0	-52.69	309.56	4.05	-48.64
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004621570	1	36	-1.0	-52.71	309.62	4.07	-48.64
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC2CC21	REAL250004621571	0	36	-1.0	-52.76	287.29	6.67	-46.09
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC2CC21	REAL250004621571	1	36	-1.0	-52.53	287.38	6.67	-45.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2CC21	REAL250004621572	0	33	-1.0	-35.16	273.92	4.51	-30.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2CC21	REAL250004621572	1	33	-1.0	-35.14	273.98	4.52	-30.62
CC1NC(=O)C(C)N(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004621573	0	39	-1.0	-50.99	306.68	1.75	-49.24
CC1NC(=O)C(C)N(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004621573	1	39	-1.0	-50.99	306.73	1.76	-49.23
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C)=CN1	REAL250004621574	0	38	-1.0	-49.63	312.13	2.39	-47.24
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C)=CN1	REAL250004621574	1	38	-1.0	-49.61	312.19	2.40	-47.21
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CN2)C1	REAL250004621576	0	36	-1.0	-53.50	300.92	3.13	-50.37
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CN2)C1	REAL250004621576	1	36	-1.0	-53.56	300.98	3.15	-50.41
O=C(CCCC1=N[N-]N=N1)N1CCC=C(Cl)C1	REAL250004621577	0	30	-1.0	-45.17	265.68	4.03	-41.14
O=C(CCCC1=NN=N[N-]1)N1CCC=C(Cl)C1	REAL250004621577	1	30	-1.0	-45.17	265.74	4.04	-41.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC=C(Cl)C1	REAL250004621578	0	30	-1.0	-35.18	273.10	4.31	-30.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC=C(Cl)C1	REAL250004621578	1	30	-1.0	-35.17	273.16	4.33	-30.84
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC(=O)NN2)C1	REAL250004621580	0	37	-1.0	-56.66	313.25	0.96	-55.70
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC(=O)NN2)C1	REAL250004621580	1	37	-1.0	-56.70	313.30	0.97	-55.73
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)NC(=S)N1	REAL250004621582	0	32	-1.0	-52.25	300.03	0.23	-52.02
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)NC(=S)N1	REAL250004621582	1	32	-1.0	-52.23	300.09	0.24	-51.99
CC1=CC(=O)NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621583	0	34	-1.0	-49.73	298.31	0.56	-49.17
CC1=CC(=O)NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621583	1	34	-1.0	-49.73	298.37	0.57	-49.16
COCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621584	0	35	-1.0	-53.27	304.42	2.78	-50.49
COCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621584	1	35	-1.0	-53.29	304.48	2.79	-50.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1CC2	REAL250004621585	0	45	-1.0	-46.95	336.55	5.44	-41.51
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1CC2	REAL250004621585	1	45	-1.0	-46.94	336.61	5.45	-41.49
O=C(CCCC1=N[N-]N=N1)N1CC2CCOCC2C1	REAL250004621586	0	37	-1.0	-47.97	295.25	2.77	-45.20
O=C(CCCC1=NN=N[N-]1)N1CC2CCOCC2C1	REAL250004621586	1	37	-1.0	-48.02	295.31	2.78	-45.24
CSC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004621587	0	36	-1.0	-47.79	311.69	4.97	-42.82
CSC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004621587	1	36	-1.0	-47.78	311.74	4.98	-42.80
C=CC(C)ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621588	0	33	-1.0	-56.14	291.04	5.75	-50.39
C=CC(C)ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621588	1	33	-1.0	-55.92	291.11	5.77	-50.15
C=CC(C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621589	0	30	-1.0	-36.26	276.89	2.66	-33.60
C=CC(C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621589	1	30	-1.0	-36.23	276.95	2.66	-33.57
O=C(CCCC1=NN=N[N-]1)NCCNC1=NC=CC=N1	REAL250004621590	0	35	-1.0	-50.80	305.92	2.18	-48.62
O=C(CCCC1=N[N-]N=N1)NCCNC1=NC=CC=N1	REAL250004621590	1	35	-1.0	-50.76	305.86	2.16	-48.60
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCOC1	REAL250004621591	0	40	-1.0	-49.40	318.88	-0.78	-50.18
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCOC1	REAL250004621591	1	40	-1.0	-49.42	318.93	-0.76	-50.18
CC(CCO)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621592	0	38	-1.0	-39.10	307.42	3.46	-35.64
CC(CCO)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621592	1	38	-1.0	-38.93	307.53	3.47	-35.46
CC(CCO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621593	0	35	-1.0	-36.47	293.10	1.22	-35.25
CC(CCO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621593	1	35	-1.0	-36.46	293.17	1.25	-35.21
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C2(F)F	REAL250004621594	0	30	-1.0	-46.96	263.77	3.71	-43.25
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C2(F)F	REAL250004621594	1	30	-1.0	-46.95	263.83	3.72	-43.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C(C1)C2(F)F	REAL250004621595	0	30	-1.0	-35.19	270.90	3.94	-31.25
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C(C1)C2(F)F	REAL250004621595	1	30	-1.0	-35.11	270.97	3.96	-31.15
O=C(NC1CC2(CCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621596	0	39	-1.0	-53.44	319.66	6.62	-46.82
O=C(NC1CC2(CCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621596	1	39	-1.0	-53.08	319.34	6.67	-46.41
O=C(NC1CC2(CCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621597	0	36	-1.0	-35.00	305.52	3.54	-31.46
O=C(NC1CC2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621597	1	36	-1.0	-34.97	305.59	3.54	-31.43
CC(C)OC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004621598	0	33	-1.0	-47.90	289.05	0.15	-47.75
CC(C)OC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004621598	1	33	-1.0	-47.95	289.11	0.16	-47.79
C=C(C)CONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621600	0	33	-1.0	-57.07	289.61	5.72	-51.35
C=C(C)CONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621600	1	33	-1.0	-56.96	289.68	5.74	-51.22
C=C(C)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621601	0	30	-1.0	-36.61	275.45	2.61	-34.00
C=C(C)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621601	1	30	-1.0	-36.60	275.52	2.63	-33.97
O=C(NC(CO)CCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621602	0	35	-1.0	-51.15	301.97	2.03	-49.12
O=C(NC(CO)CCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621602	1	35	-1.0	-50.99	302.05	2.05	-48.94
O=C(NC(CO)CCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621603	0	32	-1.0	-37.05	287.82	-1.08	-38.13
O=C(NC(CO)CCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621603	1	32	-1.0	-37.04	287.89	-1.06	-38.10
CCC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621604	0	38	-1.0	-46.01	321.97	4.91	-41.10
CCC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621604	1	38	-1.0	-46.06	322.03	4.93	-41.13
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1CS2=O	REAL250004621605	0	32	-1.0	-54.69	276.72	1.30	-53.39
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1CS2=O	REAL250004621605	1	32	-1.0	-54.69	276.78	1.32	-53.37
CC1(C)C2CC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004621606	0	42	-1.0	-47.13	307.17	5.41	-41.72
CC1(C)C2CC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004621606	1	42	-1.0	-47.16	307.22	5.43	-41.73
O=C(CCCC1=N[N-]N=N1)NCCC1(CO)CCC1	REAL250004621607	0	39	-1.0	-47.48	315.27	0.32	-47.16
O=C(CCCC1=NN=N[N-]1)NCCC1(CO)CCC1	REAL250004621607	1	39	-1.0	-47.48	315.32	0.34	-47.14
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2(F)F)C1	REAL250004621608	0	36	-1.0	-48.00	300.64	5.04	-42.96
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2(F)F)C1	REAL250004621608	1	36	-1.0	-48.00	300.70	5.05	-42.95
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@H]1F	REAL250004621609	0	36	-1.0	-48.17	307.49	4.98	-43.19
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@H]1F	REAL250004621609	1	36	-1.0	-48.20	307.54	4.99	-43.21
O=C(NC1(C2CCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621610	0	39	-1.0	-52.96	309.68	6.74	-46.22
O=C(NC1(C2CCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621610	1	39	-1.0	-52.67	310.16	6.73	-45.94
O=C(NC1(C2CCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621611	0	36	-1.0	-35.21	298.39	3.82	-31.39
O=C(NC1(C2CCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621611	1	36	-1.0	-35.19	298.46	3.83	-31.36
CC1=CC=C2CCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004621612	0	39	-1.0	-46.43	323.86	5.39	-41.04
CC1=CC=C2CCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004621612	1	39	-1.0	-46.41	323.91	5.41	-41.00
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004621613	0	36	-1.0	-47.74	302.24	3.34	-44.40
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004621613	1	36	-1.0	-47.72	302.30	3.35	-44.37
N#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004621614	0	36	-1.0	-39.35	312.41	3.13	-36.22
N#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004621614	1	36	-1.0	-39.32	312.48	3.13	-36.19
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCOCC1	REAL250004621615	0	43	-1.0	-46.42	330.54	4.35	-42.07
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCOCC1	REAL250004621615	1	43	-1.0	-46.38	330.59	4.36	-42.02
COC(=O)C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621616	0	34	-1.0	-49.30	311.60	-1.19	-50.49
COC(=O)C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621616	1	34	-1.0	-49.30	311.66	-1.18	-50.48
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)CC1	REAL250004621617	0	38	-1.0	-46.80	307.53	3.97	-42.83
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)CC1	REAL250004621617	1	38	-1.0	-46.83	307.59	3.98	-42.85
CC1=CC=CC=C1C1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004621618	0	42	-1.0	-48.86	333.95	6.01	-42.85
CC1=CC=CC=C1C1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004621618	1	42	-1.0	-48.84	334.00	6.02	-42.82
CS[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621619	0	39	-1.0	-48.31	322.30	4.36	-43.95
CS[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621619	1	39	-1.0	-48.29	322.36	4.37	-43.92
CC(C)N1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621620	0	34	-1.0	-53.59	292.89	5.72	-47.87
CC(C)N1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621620	1	34	-1.0	-53.60	292.83	5.71	-47.89
CC(C)N1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004621621	0	34	-1.0	-42.12	303.48	5.52	-36.60
CC(C)N1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004621621	1	34	-1.0	-42.15	303.41	5.51	-36.64
COC(=O)C(CCF)NC(=O)CCCC1=N[N-]N=N1	REAL250004621622	0	34	-1.0	-44.93	293.46	2.16	-42.77
COC(=O)C(CCF)NC(=O)CCCC1=NN=N[N-]1	REAL250004621622	1	34	-1.0	-44.94	293.52	2.18	-42.76
CCC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004621623	0	39	-1.0	-46.44	309.04	3.56	-42.88
CCC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004621623	1	39	-1.0	-46.45	309.10	3.58	-42.87
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCCCC2=C1	REAL250004621624	0	42	-1.0	-49.07	330.87	6.34	-42.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCCCC2=C1	REAL250004621624	1	42	-1.0	-49.05	330.93	6.36	-42.69
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CO1	REAL250004621625	0	36	-1.0	-53.69	299.35	3.72	-49.97
CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CO1	REAL250004621625	1	36	-1.0	-53.78	299.84	3.69	-50.09
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CO1	REAL250004621626	0	33	-1.0	-35.53	285.62	0.58	-34.95
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CO1	REAL250004621626	1	33	-1.0	-35.51	285.69	0.58	-34.93
COC(=O)C(C(C)O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621627	0	38	-1.0	-48.85	312.24	2.10	-46.75
COC(=O)C(C(C)O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621627	1	38	-1.0	-48.88	312.30	2.11	-46.77
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004621628	0	38	-1.0	-50.32	323.98	5.70	-44.62
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004621628	1	38	-1.0	-50.34	324.04	5.71	-44.63
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004621629	0	34	-1.0	-46.02	277.54	1.15	-44.87
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004621629	1	34	-1.0	-46.09	277.59	1.16	-44.93
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621630	0	34	-1.0	-36.41	288.19	0.93	-35.48
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621630	1	34	-1.0	-36.37	288.26	0.95	-35.42
COC[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621631	0	37	-1.0	-49.85	303.82	-0.62	-50.47
COC[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621631	1	37	-1.0	-49.85	303.87	-0.60	-50.45
CN(C)C1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621632	0	37	-1.0	-51.13	311.90	3.85	-47.28
CN(C)C1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621632	1	37	-1.0	-51.13	311.96	3.87	-47.26
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004621633	0	39	-1.0	-48.63	324.87	3.40	-45.23
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004621633	1	39	-1.0	-48.62	324.93	3.41	-45.21
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCC2)O1	REAL250004621634	0	40	-1.0	-46.21	314.97	3.84	-42.37
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCC2)O1	REAL250004621634	1	40	-1.0	-46.22	315.02	3.85	-42.37
CCCC(C)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621635	0	41	-1.0	-45.88	326.53	1.00	-44.88
CCCC(C)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621635	1	41	-1.0	-45.94	326.58	1.02	-44.92
NC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621636	0	33	-1.0	-49.73	283.10	-1.44	-51.17
NC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621636	1	33	-1.0	-49.74	283.16	-1.43	-51.17
NC(=O)[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621637	0	33	-1.0	-41.12	293.67	-1.64	-42.76
NC(=O)[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621637	1	33	-1.0	-41.09	293.74	-1.64	-42.73
CSC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621638	0	32	-1.0	-52.14	287.20	4.16	-47.98
CSC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621638	1	32	-1.0	-52.12	287.14	4.14	-47.98
CC1C(=O)N(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621639	0	33	-1.0	-49.75	280.90	2.30	-47.45
CC1C(=O)N(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621639	1	33	-1.0	-49.76	280.96	2.32	-47.44
CC1C(=O)N(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621640	0	33	-1.0	-35.57	287.98	2.27	-33.30
CC1C(=O)N(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621640	1	33	-1.0	-35.58	288.05	2.28	-33.30
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCOC1	REAL250004621642	0	37	-1.0	-50.46	305.16	-2.01	-52.47
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCOC1	REAL250004621642	1	37	-1.0	-50.45	305.21	-2.00	-52.45
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621645	0	31	-1.0	-52.31	275.89	-0.03	-52.34
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621645	1	31	-1.0	-52.29	275.95	-0.01	-52.30
CN1C=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=N1	REAL250004621646	0	34	-1.0	-57.56	300.26	2.87	-54.69
CN1C=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=N1	REAL250004621646	1	34	-1.0	-57.28	300.36	2.90	-54.38
CN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004621647	0	31	-1.0	-42.65	286.49	-0.25	-42.90
CN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004621647	1	31	-1.0	-42.60	286.55	-0.23	-42.83
CCON(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621648	0	36	-1.0	-46.21	310.21	0.88	-45.33
CCON(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621648	1	36	-1.0	-46.23	310.27	0.89	-45.34
O=C(NC1(CF)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621649	0	35	-1.0	-52.53	291.52	5.35	-47.18
O=C(NC1(CF)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621649	1	35	-1.0	-52.35	291.61	5.36	-46.99
O=C(NC1(CF)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621650	0	32	-1.0	-37.22	279.81	2.41	-34.81
O=C(NC1(CF)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621650	1	32	-1.0	-37.19	279.87	2.41	-34.78
CC1=CC=C(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)C=C1	REAL250004621651	0	42	-1.0	-48.61	338.11	6.10	-42.51
CC1=CC=C(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)C=C1	REAL250004621651	1	42	-1.0	-48.65	338.17	6.11	-42.54
O=C(NC1CCC2CC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621652	0	39	-1.0	-53.42	313.81	6.66	-46.76
O=C(NC1CCC2CC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621652	1	39	-1.0	-53.18	313.87	6.68	-46.50
O=C(NC1CCC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621653	0	36	-1.0	-35.21	299.64	3.56	-31.65
O=C(NC1CCC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621653	1	36	-1.0	-35.21	299.71	3.56	-31.65
CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621654	0	39	-1.0	-47.95	311.17	3.58	-44.37
CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621654	1	39	-1.0	-47.95	311.23	3.60	-44.35
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004621655	0	39	-1.0	-46.60	303.43	3.55	-43.05
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004621655	1	39	-1.0	-46.60	303.49	3.57	-43.03
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2(CCC2)CO1	REAL250004621656	0	40	-1.0	-45.39	307.85	3.56	-41.83
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2(CCC2)CO1	REAL250004621656	1	40	-1.0	-45.41	307.91	3.57	-41.84
CC1SCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004621657	0	33	-1.0	-44.79	279.95	3.45	-41.34
CC1SCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004621657	1	33	-1.0	-44.79	280.00	3.46	-41.33
CC1SCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621658	0	33	-1.0	-35.30	291.61	3.56	-31.74
CC1SCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621658	1	33	-1.0	-35.23	291.67	3.56	-31.67
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCCC2)O1	REAL250004621659	0	43	-1.0	-46.45	330.12	4.52	-41.93
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCCC2)O1	REAL250004621659	1	43	-1.0	-46.43	330.18	4.54	-41.89
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(F)C1	REAL250004621660	0	32	-1.0	-47.53	268.60	3.76	-43.77
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(F)C1	REAL250004621660	1	32	-1.0	-47.58	268.65	3.77	-43.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(F)(F)C1	REAL250004621661	0	32	-1.0	-36.65	276.70	3.96	-32.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(F)(F)C1	REAL250004621661	1	32	-1.0	-36.61	276.77	3.97	-32.64
CC(C)OC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621662	0	42	-1.0	-48.24	331.20	4.31	-43.93
CC(C)OC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621662	1	42	-1.0	-48.28	331.25	4.32	-43.96
COC[C@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621663	0	37	-1.0	-48.18	303.67	-0.62	-48.80
COC[C@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621663	1	37	-1.0	-48.23	303.73	-0.61	-48.84
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL250004621664	0	42	-1.0	-46.36	321.00	7.37	-38.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL250004621664	1	42	-1.0	-46.38	321.06	7.39	-38.99
CCC1=CC=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621666	0	34	-1.0	-50.35	287.12	3.20	-47.15
CCC1=CC=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621666	1	34	-1.0	-50.41	287.18	3.21	-47.20
CCC1=CC=NC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621667	0	34	-1.0	-37.37	296.98	2.95	-34.42
CCC1=CC=NC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621667	1	34	-1.0	-37.33	297.05	2.95	-34.38
COC(=O)C1CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621668	0	39	-1.0	-49.56	322.61	0.87	-48.69
COC(=O)C1CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621668	1	39	-1.0	-49.56	322.67	0.88	-48.68
CC#CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621669	0	34	-1.0	-47.78	298.73	0.35	-47.43
CC#CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621669	1	34	-1.0	-47.76	298.79	0.37	-47.39
CC#CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621670	0	34	-1.0	-38.56	309.33	0.14	-38.42
CC#CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621670	1	34	-1.0	-38.56	309.39	0.17	-38.39
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL250004621671	0	38	-1.0	-53.84	306.55	0.92	-52.92
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL250004621671	1	38	-1.0	-53.81	306.60	0.93	-52.88
COC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621672	0	36	-1.0	-49.65	304.61	4.38	-45.27
COC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621672	1	36	-1.0	-49.67	304.67	4.39	-45.28
O=C(CCCC1=N[N-]N=N1)NC1=CC(C(F)F)=CC=C1F	REAL250004621673	0	32	-1.0	-46.88	290.25	4.34	-42.54
O=C(CCCC1=NN=N[N-]1)NC1=CC(C(F)F)=CC=C1F	REAL250004621673	1	32	-1.0	-46.91	290.31	4.35	-42.56
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621674	0	39	-1.0	-48.69	313.69	2.22	-46.47
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621674	1	39	-1.0	-48.70	313.75	2.24	-46.46
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(C)O	REAL250004621675	0	41	-1.0	-49.07	324.58	1.23	-47.84
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(C)O	REAL250004621675	1	41	-1.0	-49.10	324.64	1.24	-47.86
O=C(NC1CC=CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621676	0	33	-1.0	-53.22	279.56	5.41	-47.81
O=C(NC1CC=CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621676	1	33	-1.0	-52.87	280.05	5.39	-47.48
O=C(NC1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621677	0	30	-1.0	-35.09	265.82	2.29	-32.80
O=C(NC1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621677	1	30	-1.0	-35.06	265.89	2.29	-32.77
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1CCC1	REAL250004621678	0	42	-1.0	-45.62	308.91	5.86	-39.76
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1CCC1	REAL250004621678	1	42	-1.0	-45.66	308.97	5.87	-39.79
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(F)(F)C2	REAL250004621679	0	39	-1.0	-46.79	303.61	5.39	-41.40
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(F)(F)C2	REAL250004621679	1	39	-1.0	-46.79	303.67	5.40	-41.39
CC(COCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621680	0	39	-1.0	-45.87	325.25	3.03	-42.84
CC(COCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621680	1	39	-1.0	-45.89	325.31	3.04	-42.85
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H]2CCCC[C@H]21	REAL250004621681	0	39	-1.0	-59.07	305.90	6.99	-52.08
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@H]2CCCC[C@H]21	REAL250004621681	1	39	-1.0	-58.65	306.61	6.95	-51.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2CCCC[C@H]21	REAL250004621682	0	36	-1.0	-38.31	293.43	4.54	-33.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CCCC[C@H]21	REAL250004621682	1	36	-1.0	-38.32	293.50	4.55	-33.77
CCN(CCSC)C(=O)CCCC1=N[N-]N=N1	REAL250004621683	0	35	-1.0	-47.45	301.97	4.71	-42.74
CCN(CCSC)C(=O)CCCC1=NN=N[N-]1	REAL250004621683	1	35	-1.0	-47.42	302.03	4.72	-42.70
CCN(CCSC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621684	0	35	-1.0	-35.66	308.24	5.43	-30.23
CCN(CCSC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621684	1	35	-1.0	-35.65	308.31	5.43	-30.22
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621685	0	36	-1.0	-46.28	282.47	0.86	-45.42
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621685	1	36	-1.0	-46.24	282.53	0.87	-45.37
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621686	0	36	-1.0	-35.31	290.73	1.04	-34.27
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621686	1	36	-1.0	-35.28	290.80	1.05	-34.23
CCCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004621687	0	39	-1.0	-52.75	325.55	2.34	-50.41
CCCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004621687	1	39	-1.0	-52.75	325.61	2.36	-50.39
CN(C)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621688	0	41	-1.0	-54.17	319.66	2.67	-51.50
CN(C)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621688	1	41	-1.0	-54.21	319.72	2.69	-51.52
COC(=O)C(CNC(=O)CCCC1=N[N-]N=N1)CC1CC1	REAL250004621689	0	41	-1.0	-48.21	341.44	4.43	-43.78
COC(=O)C(CNC(=O)CCCC1=NN=N[N-]1)CC1CC1	REAL250004621689	1	41	-1.0	-48.21	341.49	4.45	-43.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCCC2	REAL250004621690	0	36	-1.0	-38.48	297.39	4.43	-34.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCCC2	REAL250004621690	1	36	-1.0	-38.43	297.46	4.44	-33.99
CC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621691	0	39	-1.0	-48.61	324.51	5.42	-43.19
CC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621691	1	39	-1.0	-48.63	324.57	5.43	-43.20
O=C(CCCC1=N[N-]N=N1)NCCN1CCCC1=O	REAL250004621692	0	36	-1.0	-55.01	305.23	1.55	-53.46
O=C(CCCC1=NN=N[N-]1)NCCN1CCCC1=O	REAL250004621692	1	36	-1.0	-55.04	305.29	1.56	-53.48
CCN1CC(CNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004621693	0	39	-1.0	-52.28	325.42	2.16	-50.12
CCN1CC(CNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004621693	1	39	-1.0	-52.29	325.48	2.17	-50.12
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(F)C1	REAL250004621694	0	35	-1.0	-51.28	285.87	6.20	-45.08
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(F)C1	REAL250004621694	1	35	-1.0	-49.93	285.99	6.28	-43.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(F)C1	REAL250004621695	0	32	-1.0	-35.79	271.36	3.91	-31.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(F)C1	REAL250004621695	1	32	-1.0	-35.78	271.43	3.91	-31.87
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C1=CC=CC=C1	REAL250004621696	0	41	-1.0	-48.21	321.36	6.77	-41.44
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)C1=CC=CC=C1	REAL250004621696	1	41	-1.0	-48.22	321.42	6.79	-41.43
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621697	0	41	-1.0	-46.47	328.68	4.50	-41.97
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621697	1	41	-1.0	-46.45	328.73	4.51	-41.94
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2(F)F)CC1	REAL250004621698	0	36	-1.0	-48.98	300.22	5.08	-43.90
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2(F)F)CC1	REAL250004621698	1	36	-1.0	-48.99	300.27	5.10	-43.89
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004621699	0	33	-1.0	-48.36	273.66	1.69	-46.67
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004621699	1	33	-1.0	-48.35	273.71	1.71	-46.64
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004621700	0	33	-1.0	-40.55	281.05	1.90	-38.65
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004621700	1	33	-1.0	-40.53	281.11	1.91	-38.62
CCC1COC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621701	0	42	-1.0	-45.47	318.35	4.01	-41.46
CCC1COC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621701	1	42	-1.0	-45.50	318.41	4.03	-41.47
CCC1CN(C(=O)CCCC2=N[N-]N=N2)C(CC)CO1	REAL250004621702	0	42	-1.0	-46.17	329.05	4.53	-41.64
CCC1CN(C(=O)CCCC2=NN=N[N-]2)C(CC)CO1	REAL250004621702	1	42	-1.0	-46.19	329.11	4.54	-41.65
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)N=C1C(C)(C)C	REAL250004621703	0	40	-1.0	-54.69	325.18	5.48	-49.21
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)N=C1C(C)(C)C	REAL250004621703	1	40	-1.0	-54.66	325.13	5.46	-49.20
CCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004621704	0	34	-1.0	-55.37	293.64	4.70	-50.67
CCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004621704	1	34	-1.0	-55.36	293.69	4.71	-50.65
CCC1=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004621705	0	34	-1.0	-43.26	304.20	4.49	-38.77
CCC1=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004621705	1	34	-1.0	-43.24	304.27	4.51	-38.73
O=C(CCCC1=N[N-]N=N1)N1CCC(C2(O)CC2)CC1	REAL250004621706	0	40	-1.0	-48.88	317.38	2.36	-46.52
O=C(CCCC1=NN=N[N-]1)N1CCC(C2(O)CC2)CC1	REAL250004621706	1	40	-1.0	-48.87	317.43	2.37	-46.50
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CC2CCC1O2	REAL250004621707	0	38	-1.0	-46.16	309.85	0.25	-45.91
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CC2CCC1O2	REAL250004621707	1	38	-1.0	-46.17	309.91	0.26	-45.91
CC(C)C(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621708	0	40	-1.0	-52.10	306.93	5.75	-46.35
CC(C)C(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621708	1	40	-1.0	-51.89	307.00	5.77	-46.12
CC(C)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621709	0	37	-1.0	-34.97	292.77	2.66	-32.31
CC(C)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621709	1	37	-1.0	-34.96	292.84	2.67	-32.29
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621710	0	35	-1.0	-46.85	303.40	2.86	-43.99
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621710	1	35	-1.0	-46.89	303.46	2.87	-44.02
CC(CO)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621711	0	42	-1.0	-49.04	323.13	2.05	-46.99
CC(CO)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621711	1	42	-1.0	-48.99	323.19	2.06	-46.93
CC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1(F)Cl	REAL250004621712	0	35	-1.0	-48.95	308.04	3.63	-45.32
CC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1(F)Cl	REAL250004621712	1	35	-1.0	-48.98	308.10	3.65	-45.33
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC=C1O	REAL250004621713	0	33	-1.0	-46.72	305.76	1.18	-45.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC=C1O	REAL250004621713	1	33	-1.0	-46.76	305.82	1.19	-45.57
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCOC2=O)C1	REAL250004621714	0	38	-1.0	-57.82	312.89	2.64	-55.18
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCOC2=O)C1	REAL250004621714	1	38	-1.0	-57.83	312.94	2.66	-55.17
COCC1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621715	0	35	-1.0	-48.67	309.34	-0.64	-49.31
COCC1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621715	1	35	-1.0	-48.71	309.40	-0.63	-49.34
CC(C)C[C@@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621716	0	38	-1.0	-45.99	309.25	0.32	-45.67
CC(C)C[C@@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621716	1	38	-1.0	-46.01	309.31	0.34	-45.67
CC(C)C[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621717	0	38	-1.0	-36.48	319.93	0.09	-36.39
CC(C)C[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621717	1	38	-1.0	-36.39	320.00	0.10	-36.29
CC(C)C[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621718	0	38	-1.0	-46.02	309.34	0.29	-45.73
CC(C)C[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621718	1	38	-1.0	-46.04	309.40	0.30	-45.74
CC(C)C[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621719	0	38	-1.0	-36.47	320.00	0.09	-36.38
CC(C)C[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621719	1	38	-1.0	-36.42	320.06	0.11	-36.31
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CCOC2)CC1	REAL250004621720	0	42	-1.0	-47.45	324.37	1.30	-46.15
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CCOC2)CC1	REAL250004621720	1	42	-1.0	-47.45	324.43	1.32	-46.13
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CCC2C1	REAL250004621721	0	36	-1.0	-54.22	288.46	6.42	-47.80
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CCC2C1	REAL250004621721	1	36	-1.0	-41.27	287.91	6.43	-34.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC2C1	REAL250004621722	0	33	-1.0	-36.12	274.88	4.30	-31.82
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC2C1	REAL250004621722	1	33	-1.0	-36.13	274.95	4.30	-31.83
CC(C)(C)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621723	0	41	-1.0	-46.68	330.50	2.40	-44.28
CC(C)(C)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621723	1	41	-1.0	-46.69	330.56	2.41	-44.28
CC1COC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621724	0	40	-1.0	-45.53	308.32	3.69	-41.84
CC1COC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621724	1	40	-1.0	-45.52	308.38	3.71	-41.81
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCCC2)C1	REAL250004621725	0	45	-1.0	-47.25	344.87	6.59	-40.66
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCCC2)C1	REAL250004621725	1	45	-1.0	-47.27	344.93	6.61	-40.66
CCO[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621727	0	36	-1.0	-47.41	301.20	1.88	-45.53
CCO[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621727	1	36	-1.0	-47.47	301.26	1.90	-45.57
CCO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621728	0	36	-1.0	-35.29	311.79	1.68	-33.61
CCO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621728	1	36	-1.0	-35.23	311.86	1.69	-33.54
CCNC(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621729	0	35	-1.0	-51.10	302.89	1.84	-49.26
CCNC(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621729	1	35	-1.0	-50.93	302.96	1.86	-49.07
CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621730	0	32	-1.0	-40.11	288.73	-1.26	-41.37
CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621730	1	32	-1.0	-40.06	288.80	-1.24	-41.30
CN(CC1C[NH+](C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621732	0	37	-1.0	-36.23	306.76	1.32	-34.91
CN(CC1CN(C)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621732	1	37	-1.0	-36.27	306.70	1.29	-34.98
CN(CC1CN(C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621732	1	37	-1.0	-36.23	306.76	1.32	-34.91
CN(C)C(=O)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621733	0	36	-1.0	-49.79	311.11	0.75	-49.04
CN(C)C(=O)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621733	1	36	-1.0	-49.82	311.17	0.76	-49.06
O=C(CCCC1=N[N-]N=N1)NN1CCC2=CC=CC=C2C1	REAL250004621734	0	38	-1.0	-47.11	311.65	4.49	-42.62
O=C(CCCC1=NN=N[N-]1)NN1CCC2=CC=CC=C2C1	REAL250004621734	1	38	-1.0	-47.16	311.71	4.50	-42.66
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2C=CC=CN12	REAL250004621735	0	32	-1.0	-55.80	279.24	4.78	-51.02
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2C=CC=CN12	REAL250004621735	1	32	-1.0	-55.83	279.30	4.80	-51.03
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C)C1=O	REAL250004621736	0	37	-1.0	-47.14	298.34	4.17	-42.97
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C)C1=O	REAL250004621736	1	37	-1.0	-47.16	298.40	4.18	-42.98
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C12CCCCC2	REAL250004621737	0	43	-1.0	-46.35	314.32	2.29	-44.06
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C12CCCCC2	REAL250004621737	1	43	-1.0	-46.34	314.38	2.30	-44.04
CC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004621738	0	39	-1.0	-47.06	316.87	6.43	-40.63
CC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004621738	1	39	-1.0	-47.09	316.92	6.45	-40.64
C=CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621739	0	32	-1.0	-52.87	278.23	4.67	-48.20
C=CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621739	1	32	-1.0	-52.71	278.30	4.69	-48.02
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(C(F)F)C2	REAL250004621740	0	33	-1.0	-55.24	278.93	4.22	-51.02
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(C(F)F)C2	REAL250004621740	1	33	-1.0	-55.27	278.99	4.24	-51.03
COC1=CC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621741	0	36	-1.0	-50.74	305.36	4.56	-46.18
COC1=CC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621741	1	36	-1.0	-50.71	305.41	4.57	-46.14
COCC1(C2CCC2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621742	0	43	-1.0	-48.32	340.74	4.36	-43.96
COCC1(C2CCC2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621742	1	43	-1.0	-48.35	340.80	4.38	-43.97
CC(C#N)N(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004621743	0	36	-1.0	-53.95	300.08	6.55	-47.40
CC(C#N)N(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004621743	1	36	-1.0	-53.71	300.16	6.57	-47.14
CC(C#N)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004621744	0	33	-1.0	-39.10	284.78	4.75	-34.35
CC(C#N)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004621744	1	33	-1.0	-39.09	284.85	4.76	-34.33
COCCN(CCF)C(=O)CCCC1=N[N-]N=N1	REAL250004621745	0	35	-1.0	-45.19	295.20	2.80	-42.39
COCCN(CCF)C(=O)CCCC1=NN=N[N-]1	REAL250004621745	1	35	-1.0	-45.17	295.26	2.82	-42.35
COCCN(CCF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621746	0	35	-1.0	-35.29	303.02	3.49	-31.80
COCCN(CCF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621746	1	35	-1.0	-35.26	303.08	3.49	-31.77
NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004621747	0	37	-1.0	-54.89	298.97	-2.15	-57.04
NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004621747	1	37	-1.0	-54.93	299.03	-2.13	-57.06
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=CC=CC=C21	REAL250004621748	0	36	-1.0	-49.81	302.02	4.72	-45.09
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=CC=CC=C21	REAL250004621748	1	36	-1.0	-49.82	302.08	4.74	-45.08
C=CCCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621749	0	36	-1.0	-48.08	319.68	3.93	-44.15
C=CCCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621749	1	36	-1.0	-48.09	319.74	3.94	-44.15
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCCC2)CC1	REAL250004621750	0	45	-1.0	-47.03	339.37	5.30	-41.73
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCCC2)CC1	REAL250004621750	1	45	-1.0	-47.05	339.43	5.32	-41.73
O=C(NC1C=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621751	0	33	-1.0	-54.61	279.92	5.39	-49.22
O=C(NC1C=CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621751	1	33	-1.0	-54.36	280.01	5.40	-48.96
O=C(NC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621752	0	30	-1.0	-35.76	266.15	2.28	-33.48
O=C(NC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621752	1	30	-1.0	-35.75	266.23	2.28	-33.47
O=C(CCCC1=N[N-]N=N1)NCCOC1CC1(F)F	REAL250004621753	0	33	-1.0	-51.13	298.40	1.51	-49.62
O=C(CCCC1=NN=N[N-]1)NCCOC1CC1(F)F	REAL250004621753	1	33	-1.0	-51.12	298.46	1.52	-49.60
O=C(CCCC1=N[N-]N=N1)N1CCC2NC(=O)CCC2C1	REAL250004621754	0	40	-1.0	-51.65	315.69	2.03	-49.62
O=C(CCCC1=NN=N[N-]1)N1CCC2NC(=O)CCC2C1	REAL250004621754	1	40	-1.0	-51.68	315.75	2.04	-49.64
CN(CC1COCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004621755	0	37	-1.0	-50.81	301.12	2.26	-48.55
CN(CC1COCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004621755	1	37	-1.0	-50.81	301.18	2.28	-48.53
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC2(F)F)C1	REAL250004621756	0	33	-1.0	-47.96	291.92	3.51	-44.45
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC2(F)F)C1	REAL250004621756	1	33	-1.0	-47.98	291.98	3.52	-44.46
CN(CC1=CCCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004621757	0	37	-1.0	-49.03	300.20	3.29	-45.74
CN(CC1=CCCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004621757	1	37	-1.0	-49.05	300.26	3.31	-45.74
O=C(NCC1CCCO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621758	0	36	-1.0	-53.09	300.32	3.67	-49.42
O=C(NCC1CCCO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621758	1	36	-1.0	-52.90	300.42	3.69	-49.21
O=C(NCC1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621759	0	33	-1.0	-36.95	286.54	0.55	-36.40
O=C(NCC1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621759	1	33	-1.0	-36.90	286.60	0.56	-36.34
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCCC2)CC1	REAL250004621760	0	45	-1.0	-46.14	325.76	6.09	-40.05
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCCC2)CC1	REAL250004621760	1	45	-1.0	-46.14	325.82	6.10	-40.04
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCC2)CC1	REAL250004621761	0	42	-1.0	-46.61	324.61	6.22	-40.39
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCC2)CC1	REAL250004621761	1	42	-1.0	-46.61	324.66	6.23	-40.38
CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1CCO	REAL250004621762	0	42	-1.0	-47.53	312.84	2.14	-45.39
CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1CCO	REAL250004621762	1	42	-1.0	-47.53	312.89	2.15	-45.38
C[C@@]12COC[C@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004621763	0	40	-1.0	-47.17	310.22	2.78	-44.39
C[C@@]12COC[C@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004621763	1	40	-1.0	-47.20	310.28	2.80	-44.40
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1CCC1	REAL250004621764	0	42	-1.0	-45.62	308.91	5.86	-39.76
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1CCC1	REAL250004621764	1	42	-1.0	-45.66	308.97	5.87	-39.79
CO[C@@H](C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621765	0	35	-1.0	-53.40	297.37	3.19	-50.21
CO[C@@H](C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621765	1	35	-1.0	-53.24	297.47	3.19	-50.05
CO[C@@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621766	0	32	-1.0	-36.06	283.64	0.06	-36.00
CO[C@@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621766	1	32	-1.0	-36.07	283.71	0.06	-36.01
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(CO)CC1	REAL250004621767	0	37	-1.0	-47.82	296.02	-1.91	-49.73
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(CO)CC1	REAL250004621767	1	37	-1.0	-47.85	296.08	-1.89	-49.74
C=CCC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004621768	0	40	-1.0	-46.76	313.57	2.99	-43.77
C=CCC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004621768	1	40	-1.0	-46.74	313.62	3.01	-43.73
CC(C)(F)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621769	0	37	-1.0	-55.79	309.43	5.40	-50.39
CC(C)(F)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621769	1	37	-1.0	-55.59	309.50	5.43	-50.16
CC(C)(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621770	0	34	-1.0	-36.64	295.30	2.32	-34.32
CC(C)(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621770	1	34	-1.0	-36.58	295.37	2.33	-34.25
O=C(CCCC1=N[N-]N=N1)NCC1(O)CC2C=CC1C2	REAL250004621771	0	38	-1.0	-47.61	305.66	1.11	-46.50
O=C(CCCC1=NN=N[N-]1)NCC1(O)CC2C=CC1C2	REAL250004621771	1	38	-1.0	-47.59	305.71	1.12	-46.47
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004621772	0	41	-1.0	-48.04	328.77	5.30	-42.74
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004621772	1	41	-1.0	-48.06	328.83	5.32	-42.74
C=CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621773	0	39	-1.0	-46.71	310.37	5.44	-41.27
C=CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621773	1	39	-1.0	-46.72	310.43	5.46	-41.26
C=CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621774	0	39	-1.0	-35.31	318.35	5.70	-29.61
C=CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621774	1	39	-1.0	-35.30	318.42	5.71	-29.59
N#CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004621775	0	36	-1.0	-51.56	301.02	3.54	-48.02
N#CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004621775	1	36	-1.0	-51.53	301.08	3.56	-47.97
N#CC1CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621776	0	36	-1.0	-39.96	306.91	2.96	-37.00
N#CC1CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621776	1	36	-1.0	-39.98	306.98	2.97	-37.01
CCN1C=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004621777	0	35	-1.0	-54.21	300.87	5.89	-48.32
CCN1C=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004621777	1	35	-1.0	-54.03	300.97	5.89	-48.14
CCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004621778	0	32	-1.0	-39.72	287.21	2.77	-36.95
CCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004621778	1	32	-1.0	-39.73	287.14	2.74	-36.99
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2OC=CC2=C1	REAL250004621779	0	35	-1.0	-48.34	306.47	3.81	-44.53
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2OC=CC2=C1	REAL250004621779	1	35	-1.0	-48.36	306.53	3.83	-44.53
CCN1N=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621780	0	35	-1.0	-48.29	293.25	3.47	-44.82
CCN1N=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621780	1	35	-1.0	-48.28	293.18	3.45	-44.83
CCN1N=CC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621781	0	35	-1.0	-36.03	303.61	3.28	-32.75
CCN1N=CC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621781	1	35	-1.0	-36.05	303.54	3.26	-32.79
CCC(C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621782	0	40	-1.0	-52.73	322.71	6.05	-46.68
CCC(C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621782	1	40	-1.0	-52.61	322.79	6.07	-46.54
CCC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621783	0	37	-1.0	-34.85	308.56	2.96	-31.89
CCC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621783	1	37	-1.0	-34.85	308.63	2.98	-31.87
COC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621784	0	40	-1.0	-49.79	311.78	0.32	-49.47
COC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621784	1	40	-1.0	-49.83	311.84	0.33	-49.50
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(F)(F)C1	REAL250004621785	0	33	-1.0	-49.33	278.96	0.46	-48.87
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(F)(F)C1	REAL250004621785	1	33	-1.0	-49.33	279.01	0.47	-48.86
C#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621786	0	37	-1.0	-47.96	303.33	5.40	-42.56
C#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621786	1	37	-1.0	-47.95	303.39	5.41	-42.54
C#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621787	0	37	-1.0	-37.58	311.68	5.60	-31.98
C#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621787	1	37	-1.0	-37.62	311.74	5.61	-32.01
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=C(F)C=C1	REAL250004621788	0	36	-1.0	-50.61	310.51	5.95	-44.66
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=C(F)C=C1	REAL250004621788	1	36	-1.0	-50.58	310.57	5.96	-44.62
O=C(NCCOC(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621789	0	32	-1.0	-53.13	289.12	2.79	-50.34
O=C(NCCOC(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621789	1	32	-1.0	-52.96	289.19	2.81	-50.15
O=C(NCCOC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621790	0	29	-1.0	-37.02	274.96	-0.31	-37.33
O=C(NCCOC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621790	1	29	-1.0	-37.04	275.03	-0.30	-37.34
CC1=CC=NC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004621791	0	37	-1.0	-50.22	311.24	2.93	-47.29
CC1=CC=NC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004621791	1	37	-1.0	-50.23	311.30	2.94	-47.29
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621792	0	39	-1.0	-47.52	318.68	5.56	-41.96
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621792	1	39	-1.0	-47.55	318.74	5.58	-41.97
CO[C@H](C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621793	0	35	-1.0	-52.91	297.07	3.25	-49.66
CO[C@H](C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621793	1	35	-1.0	-52.69	297.17	3.25	-49.44
CO[C@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621794	0	32	-1.0	-36.14	283.34	0.13	-36.01
CO[C@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621794	1	32	-1.0	-36.09	283.40	0.13	-35.96
CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621795	0	34	-1.0	-52.00	297.31	0.81	-51.19
CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621795	1	34	-1.0	-52.03	297.37	0.82	-51.21
CCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004621796	0	34	-1.0	-42.28	307.90	0.59	-41.69
CCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004621796	1	34	-1.0	-42.24	307.97	0.60	-41.64
O=C(CCCC1=N[N-]N=N1)NOC1=CC=C(F)C=C1	REAL250004621797	0	30	-1.0	-49.33	276.98	4.36	-44.97
O=C(CCCC1=NN=N[N-]1)NOC1=CC=C(F)C=C1	REAL250004621797	1	30	-1.0	-49.34	277.04	4.37	-44.97
C[C@H]1CC[C@@](C)(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004621798	0	47	-1.0	-46.14	343.56	4.95	-41.19
C[C@H]1CC[C@@](C)(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004621798	1	47	-1.0	-46.18	343.62	4.97	-41.21
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004621799	0	36	-1.0	-47.02	305.38	2.09	-44.93
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004621799	1	36	-1.0	-47.01	305.44	2.10	-44.91
CC1=NN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL250004621800	0	33	-1.0	-50.40	289.28	-1.45	-51.85
CC1=NN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL250004621800	1	33	-1.0	-50.43	289.34	-1.43	-51.86
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004621801	0	41	-1.0	-48.59	339.00	5.45	-43.14
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004621801	1	41	-1.0	-48.66	339.06	5.47	-43.19
O=C(CCCC1=N[N-]N=N1)NNC1=CC(F)=CC(Cl)=C1	REAL250004621802	0	31	-1.0	-45.14	293.05	3.57	-41.57
O=C(CCCC1=NN=N[N-]1)NNC1=CC(F)=CC(Cl)=C1	REAL250004621802	1	31	-1.0	-45.16	293.11	3.58	-41.58
N#CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621803	0	32	-1.0	-49.88	290.75	3.37	-46.51
N#CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621803	1	32	-1.0	-49.87	290.81	3.39	-46.48
CC1CC(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621804	0	44	-1.0	-45.95	342.85	5.09	-40.86
CC1CC(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621804	1	44	-1.0	-45.99	342.90	5.11	-40.88
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004621805	0	32	-1.0	-47.16	288.72	4.46	-42.70
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004621805	1	32	-1.0	-47.13	288.78	4.47	-42.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=C1)C=CNC2=O	REAL250004621806	0	35	-1.0	-52.21	304.04	2.62	-49.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=C1)C=CNC2=O	REAL250004621806	1	35	-1.0	-52.21	304.10	2.63	-49.58
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCOCC1	REAL250004621807	0	40	-1.0	-50.07	310.31	-0.83	-50.90
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCOCC1	REAL250004621807	1	40	-1.0	-50.08	310.37	-0.81	-50.89
CSCC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621808	0	39	-1.0	-47.03	334.47	4.38	-42.65
CSCC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621808	1	39	-1.0	-47.10	334.52	4.40	-42.70
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)C1O	REAL250004621809	0	39	-1.0	-48.37	305.37	1.71	-46.66
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)C1O	REAL250004621809	1	39	-1.0	-48.34	305.43	1.73	-46.61
O=C(NCC=CCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621810	0	33	-1.0	-54.77	289.51	1.41	-53.36
O=C(NCC=CCO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621810	1	33	-1.0	-54.55	289.58	1.43	-53.12
O=C(NCC=CCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621811	0	30	-1.0	-37.41	275.35	-1.69	-39.10
O=C(NCC=CCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621811	1	30	-1.0	-37.39	275.42	-1.68	-39.07
O=C(CCCC1=N[N-]N=N1)NCC1(OCCO)CCOC1	REAL250004621812	0	41	-1.0	-48.41	334.43	-2.71	-51.12
O=C(CCCC1=NN=N[N-]1)NCC1(OCCO)CCOC1	REAL250004621812	1	41	-1.0	-48.46	334.49	-2.70	-51.16
CC(CO)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621813	0	42	-1.0	-47.69	312.00	2.20	-45.49
CC(CO)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621813	1	42	-1.0	-47.73	312.06	2.21	-45.52
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC(Cl)=C1	REAL250004621814	0	30	-1.0	-48.06	281.74	1.63	-46.43
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC(Cl)=C1	REAL250004621814	1	30	-1.0	-48.08	281.80	1.64	-46.44
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004621815	0	47	-1.0	-45.97	328.38	6.48	-39.49
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004621815	1	47	-1.0	-46.01	328.44	6.49	-39.52
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)(C2CC2)C1	REAL250004621816	0	40	-1.0	-49.53	309.59	2.70	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)(C2CC2)C1	REAL250004621816	1	40	-1.0	-49.56	309.65	2.71	-46.85
O=C(CCCC1=N[N-]N=N1)N1C2=CC=CC=C2CC1CO	REAL250004621817	0	37	-1.0	-46.94	301.28	2.77	-44.17
O=C(CCCC1=NN=N[N-]1)N1C2=CC=CC=C2CC1CO	REAL250004621817	1	37	-1.0	-46.97	301.34	2.79	-44.18
CC1=NN(C)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621818	0	35	-1.0	-53.43	300.31	4.62	-48.81
CC1=NN(C)C=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621818	1	35	-1.0	-53.25	300.41	4.64	-48.61
CC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621819	0	32	-1.0	-37.23	286.52	1.51	-35.72
CC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621819	1	32	-1.0	-37.19	286.59	1.52	-35.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(N2CCCC2)C1	REAL250004621821	0	38	-1.0	-35.86	317.25	1.98	-33.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(N2CCCC2)C1	REAL250004621821	1	38	-1.0	-35.86	317.25	1.98	-33.88
CN(CC1=CC=NS1)C(=O)CCCC1=N[N-]N=N1	REAL250004621822	0	31	-1.0	-52.19	281.98	3.41	-48.78
CN(CC1=CC=NS1)C(=O)CCCC1=NN=N[N-]1	REAL250004621822	1	31	-1.0	-52.18	282.04	3.43	-48.75
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1CC1	REAL250004621823	0	33	-1.0	-47.01	284.60	1.99	-45.02
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1CC1	REAL250004621823	1	33	-1.0	-47.03	284.66	2.01	-45.02
O=C(NC1=CNN=C1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621824	0	33	-1.0	-35.92	295.15	1.79	-34.13
O=C(NC1=CNN=C1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621824	1	33	-1.0	-35.90	295.22	1.80	-34.10
C#CCN(C(=O)CCCC1=N[N-]N=N1)C1CSC1	REAL250004621825	0	32	-1.0	-46.89	284.00	4.51	-42.38
C#CCN(C(=O)CCCC1=NN=N[N-]1)C1CSC1	REAL250004621825	1	32	-1.0	-46.90	284.06	4.52	-42.38
CC1=NOC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C12	REAL250004621826	0	34	-1.0	-49.16	297.67	3.42	-45.74
CC1=NOC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C12	REAL250004621826	1	34	-1.0	-49.17	297.73	3.44	-45.73
CC1CN(CCNC(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004621828	0	44	-1.0	-47.58	340.01	-0.01	-47.59
CC1CN(CCNC(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004621828	1	44	-1.0	-47.61	340.06	0.01	-47.60
CC(NC(=O)CCCC1=N[N-]N=N1)C1(CO)CC1	REAL250004621832	0	36	-1.0	-50.12	294.93	-0.10	-50.22
CC(NC(=O)CCCC1=NN=N[N-]1)C1(CO)CC1	REAL250004621832	1	36	-1.0	-50.15	294.99	-0.09	-50.24
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(CO)CC1	REAL250004621833	0	36	-1.0	-38.12	306.88	0.12	-38.00
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(CO)CC1	REAL250004621833	1	36	-1.0	-38.12	306.94	0.13	-37.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@H]1O	REAL250004621835	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@H]1O	REAL250004621835	1	36	-1.0	-49.78	292.38	-0.11	-49.89
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621836	0	36	-1.0	-38.00	302.92	-0.33	-38.33
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621836	1	36	-1.0	-37.98	302.98	-0.30	-38.28
COCC1(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621837	0	36	-1.0	-47.21	300.22	2.68	-44.53
COCC1(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621837	1	36	-1.0	-47.22	300.27	2.70	-44.52
COCC1(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004621838	0	36	-1.0	-38.20	300.16	4.63	-33.57
COCC1(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004621838	1	36	-1.0	-38.18	300.23	4.64	-33.54
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004621839	0	40	-1.0	-49.17	322.06	0.69	-48.48
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004621839	1	40	-1.0	-49.23	322.12	0.70	-48.53
NC(=O)C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621840	0	32	-1.0	-48.55	293.23	-5.05	-53.60
NC(=O)C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621840	1	32	-1.0	-48.59	293.29	-5.03	-53.62
CC1=C(C(C)C)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004621841	0	37	-1.0	-45.91	320.02	4.14	-41.77
CC1=C(C(C)C)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004621841	1	37	-1.0	-45.93	320.08	4.16	-41.77
O=C(CCCC1=NN=N[N-]1)N1CCC(CN2C=CN=N2)C1	REAL250004621842	0	38	-1.0	-51.98	317.74	3.23	-48.75
O=C(CCCC1=N[N-]N=N1)N1CCC(CN2C=CN=N2)C1	REAL250004621842	1	38	-1.0	-51.96	317.68	3.21	-48.75
CCC(O)(CC)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621843	0	47	-1.0	-46.30	340.57	1.71	-44.59
CCC(O)(CC)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621843	1	47	-1.0	-46.27	340.63	1.73	-44.54
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CO	REAL250004621844	0	34	-1.0	-45.95	270.73	-0.14	-46.09
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CO	REAL250004621844	1	34	-1.0	-45.95	270.78	-0.13	-46.08
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1CO	REAL250004621845	0	34	-1.0	-36.05	277.97	0.20	-35.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1CO	REAL250004621845	1	34	-1.0	-36.04	278.03	0.20	-35.84
O=C(CCCC1=N[N-]N=N1)NCC1CCC(=O)O1	REAL250004621846	0	32	-1.0	-53.43	278.47	1.80	-51.63
O=C(CCCC1=NN=N[N-]1)NCC1CCC(=O)O1	REAL250004621846	1	32	-1.0	-53.41	278.53	1.82	-51.59
O=C(NCC1CCC(=O)O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621847	0	32	-1.0	-43.87	289.06	1.60	-42.27
O=C(NCC1CCC(=O)O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621847	1	32	-1.0	-43.84	289.13	1.61	-42.23
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCC2=C1	REAL250004621848	0	36	-1.0	-51.07	305.62	1.97	-49.10
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCC2=C1	REAL250004621848	1	36	-1.0	-51.10	305.68	1.98	-49.12
C=C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004621849	0	30	-1.0	-55.84	260.27	5.00	-50.84
C=C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004621849	1	30	-1.0	-55.63	260.37	5.01	-50.62
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004621850	0	36	-1.0	-48.83	289.27	2.51	-46.32
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004621850	1	36	-1.0	-48.85	289.33	2.53	-46.32
C#CCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621851	0	28	-1.0	-58.09	263.08	4.99	-53.10
C#CCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621851	1	28	-1.0	-57.86	263.15	5.01	-52.85
CSC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004621852	0	33	-1.0	-44.47	300.46	4.63	-39.84
CSC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004621852	1	33	-1.0	-44.44	300.52	4.64	-39.80
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOCC2	REAL250004621853	0	37	-1.0	-49.04	290.77	2.58	-46.46
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOCC2	REAL250004621853	1	37	-1.0	-49.05	290.83	2.60	-46.45
CC1=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N(C)N=C1	REAL250004621854	0	35	-1.0	-54.27	303.16	5.31	-48.96
CC1=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N(C)N=C1	REAL250004621854	1	35	-1.0	-53.93	303.76	5.29	-48.64
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C)N=C1	REAL250004621855	0	32	-1.0	-35.97	281.94	2.30	-33.67
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N(C)N=C1	REAL250004621855	1	32	-1.0	-35.99	281.88	2.29	-33.70
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004621856	0	35	-1.0	-61.99	302.25	6.35	-55.64
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004621856	1	35	-1.0	-61.98	302.31	6.37	-55.61
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004621857	0	38	-1.0	-45.75	292.26	4.83	-40.92
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004621857	1	38	-1.0	-45.69	292.32	4.85	-40.84
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)C1	REAL250004621858	0	38	-1.0	-34.68	299.87	5.09	-29.59
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)C1	REAL250004621858	1	38	-1.0	-34.65	299.94	5.11	-29.54
COC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004621859	0	38	-1.0	-52.18	323.11	2.29	-49.89
COC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004621859	1	38	-1.0	-52.15	323.06	2.27	-49.88
N#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621860	0	36	-1.0	-51.15	296.91	4.58	-46.57
N#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621860	1	36	-1.0	-51.12	296.97	4.60	-46.52
N#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621861	0	36	-1.0	-44.10	305.25	4.78	-39.32
N#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621861	1	36	-1.0	-44.07	305.31	4.80	-39.27
O=C(CCCC1=N[N-]N=N1)NC1CC2C(C1)C2(F)F	REAL250004621862	0	33	-1.0	-47.61	285.59	3.43	-44.18
O=C(CCCC1=NN=N[N-]1)NC1CC2C(C1)C2(F)F	REAL250004621862	1	33	-1.0	-47.61	285.65	3.44	-44.17
CN(CC1=CNC=N1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621865	0	35	-1.0	-65.20	298.35	5.69	-59.51
CN(CC1=CNC=N1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621865	1	35	-1.0	-65.01	298.44	5.71	-59.30
CN(CC1=CNC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621866	0	32	-1.0	-44.12	284.23	3.58	-40.54
CN(CC1=CNC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621866	1	32	-1.0	-44.12	284.30	3.58	-40.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C=C1Cl	REAL250004621867	0	30	-1.0	-45.61	279.03	1.13	-44.48
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C=C1Cl	REAL250004621867	1	30	-1.0	-45.65	279.08	1.15	-44.50
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621868	0	32	-1.0	-53.26	281.52	1.83	-51.43
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621868	1	32	-1.0	-53.24	281.46	1.81	-51.43
COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004621869	0	32	-1.0	-39.73	292.11	1.61	-38.12
COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004621869	1	32	-1.0	-39.78	292.04	1.61	-38.17
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCC1	REAL250004621870	0	36	-1.0	-46.01	297.41	-0.02	-46.03
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCC1	REAL250004621870	1	36	-1.0	-46.03	297.47	0.00	-46.03
O=C(NC(CO)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621871	0	36	-1.0	-36.31	308.38	-0.06	-36.37
O=C(NC(CO)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621871	1	36	-1.0	-36.35	308.45	-0.04	-36.39
O=C(CCCC1=N[N-]N=N1)N(CCOCCO)C1CCC1	REAL250004621872	0	43	-1.0	-51.49	339.31	2.42	-49.07
O=C(CCCC1=NN=N[N-]1)N(CCOCCO)C1CCC1	REAL250004621872	1	43	-1.0	-51.47	339.37	2.43	-49.04
CCC(COCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621873	0	42	-1.0	-45.13	339.27	3.64	-41.49
CCC(COCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621873	1	42	-1.0	-45.14	339.33	3.65	-41.49
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C1CCC2CC1	REAL250004621875	0	43	-1.0	-46.66	315.70	5.77	-40.89
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C1CCC2CC1	REAL250004621875	1	43	-1.0	-46.67	315.76	5.79	-40.88
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C#N)=C1	REAL250004621877	0	39	-1.0	-48.41	326.18	5.14	-43.27
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C#N)=C1	REAL250004621877	1	39	-1.0	-48.42	326.24	5.16	-43.26
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCC2)CC1	REAL250004621878	0	45	-1.0	-46.91	319.32	6.76	-40.15
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCC2)CC1	REAL250004621878	1	45	-1.0	-46.90	319.37	6.78	-40.12
CCC(C)N(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621879	0	40	-1.0	-38.47	310.77	7.36	-31.11
CCC(C)N(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621879	1	40	-1.0	-38.31	310.85	7.36	-30.95
CCC(C)N(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621880	0	37	-1.0	-35.96	296.51	5.68	-30.28
CCC(C)N(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621880	1	37	-1.0	-35.92	296.57	5.68	-30.24
O=C(CCCC1=N[N-]N=N1)NC1CCC2C(C1)C2(F)F	REAL250004621881	0	36	-1.0	-47.02	298.49	3.85	-43.17
O=C(CCCC1=NN=N[N-]1)NC1CCC2C(C1)C2(F)F	REAL250004621881	1	36	-1.0	-47.00	298.55	3.87	-43.13
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004621882	0	43	-1.0	-46.93	342.44	1.41	-45.52
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004621882	1	43	-1.0	-46.89	342.49	1.42	-45.47
CCC(C)(C)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621883	0	40	-1.0	-46.48	304.52	3.74	-42.74
CCC(C)(C)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621883	1	40	-1.0	-46.49	304.57	3.75	-42.74
CCC(C)(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621884	0	40	-1.0	-35.09	315.11	3.54	-31.55
CCC(C)(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621884	1	40	-1.0	-35.10	315.18	3.56	-31.54
CC1=CC=C(F)C=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004621885	0	34	-1.0	-46.20	294.13	3.77	-42.43
CC1=CC=C(F)C=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004621885	1	34	-1.0	-46.18	294.19	3.79	-42.39
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(CO)C2	REAL250004621886	0	34	-1.0	-50.00	277.57	2.17	-47.83
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(CO)C2	REAL250004621886	1	34	-1.0	-50.04	277.63	2.19	-47.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1(CO)C2	REAL250004621887	0	34	-1.0	-40.43	285.58	2.21	-38.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1(CO)C2	REAL250004621887	1	34	-1.0	-40.47	285.64	2.20	-38.27
C=CCN(C(=O)CCCC1=N[N-]N=N1)C(C)COC	REAL250004621888	0	39	-1.0	-45.05	312.30	3.93	-41.12
C=CCN(C(=O)CCCC1=NN=N[N-]1)C(C)COC	REAL250004621888	1	39	-1.0	-45.03	312.36	3.94	-41.09
CSCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621889	0	32	-1.0	-54.73	288.65	4.56	-50.17
CSCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621889	1	32	-1.0	-54.51	288.73	4.59	-49.92
CSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621890	0	29	-1.0	-35.77	274.50	1.48	-34.29
CSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621890	1	29	-1.0	-35.76	274.57	1.49	-34.27
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(CCC(=O)N2)C1	REAL250004621891	0	38	-1.0	-50.71	308.23	2.64	-48.07
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(CCC(=O)N2)C1	REAL250004621891	1	38	-1.0	-50.73	308.29	2.66	-48.07
CC1=CC=C(C(CF)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621894	0	38	-1.0	-49.62	321.64	5.10	-44.52
CC1=CC=C(C(CF)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621894	1	38	-1.0	-49.60	321.70	5.12	-44.48
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004621895	0	39	-1.0	-46.53	310.89	2.15	-44.38
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004621895	1	39	-1.0	-46.56	310.95	2.17	-44.39
O=C(NC12CC(C1)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621896	0	33	-1.0	-55.27	278.75	5.11	-50.16
O=C(NC12CC(C1)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621896	1	33	-1.0	-55.09	278.82	5.14	-49.95
O=C(NC12CC(C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621897	0	30	-1.0	-36.33	264.59	2.02	-34.31
O=C(NC12CC(C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621897	1	30	-1.0	-36.27	264.66	2.03	-34.24
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CO2)CC1	REAL250004621898	0	39	-1.0	-49.56	318.33	5.33	-44.23
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CO2)CC1	REAL250004621898	1	39	-1.0	-49.60	318.39	5.35	-44.25
CC1(C2CC2)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004621899	0	40	-1.0	-46.59	310.09	4.08	-42.51
CC1(C2CC2)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004621899	1	40	-1.0	-46.61	310.15	4.10	-42.51
C=CCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004621900	0	42	-1.0	-46.60	332.15	5.23	-41.37
C=CCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004621900	1	42	-1.0	-46.59	332.20	5.24	-41.35
COCC(CCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004621901	0	39	-1.0	-49.33	323.38	0.14	-49.19
COCC(CCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004621901	1	39	-1.0	-49.35	323.43	0.15	-49.20
N#CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621902	0	36	-1.0	-51.00	321.44	4.64	-46.36
N#CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621902	1	36	-1.0	-51.00	321.50	4.66	-46.34
C=CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004621903	0	45	-1.0	-46.13	349.77	5.66	-40.47
C=CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004621903	1	45	-1.0	-46.16	349.83	5.68	-40.48
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004621904	0	37	-1.0	-50.14	310.67	2.99	-47.15
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004621904	1	37	-1.0	-50.17	310.72	3.01	-47.16
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C2=NC=NN21	REAL250004621906	0	35	-1.0	-56.59	298.30	2.90	-53.69
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C2=NC=NN21	REAL250004621906	1	35	-1.0	-56.61	298.36	2.92	-53.69
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C(C)(C)C)C1	REAL250004621907	0	44	-1.0	-47.20	330.60	5.71	-41.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C(C)(C)C)C1	REAL250004621907	1	44	-1.0	-47.16	330.66	5.72	-41.44
COC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621908	0	39	-1.0	-49.64	304.07	3.64	-46.00
COC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621908	1	39	-1.0	-49.67	304.13	3.66	-46.01
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCCC2	REAL250004621909	0	45	-1.0	-46.54	334.53	5.71	-40.83
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCCC2	REAL250004621909	1	45	-1.0	-46.56	334.58	5.73	-40.83
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	REAL250004621910	0	40	-1.0	-50.53	311.22	1.97	-48.56
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	REAL250004621910	1	40	-1.0	-50.55	311.28	1.98	-48.57
CC1=CC=CN2C(NC(=O)CCCC3=N[N-]N=N3)=CN=C12	REAL250004621912	0	35	-1.0	-55.69	300.69	5.38	-50.31
CC1=CC=CN2C(NC(=O)CCCC3=NN=N[N-]3)=CN=C12	REAL250004621912	1	35	-1.0	-55.72	300.74	5.39	-50.33
CC1(C)CC(=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621913	0	40	-1.0	-46.93	311.71	4.87	-42.06
CC1(C)CC(=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621913	1	40	-1.0	-46.94	311.77	4.88	-42.06
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CO2)C1	REAL250004621914	0	36	-1.0	-50.22	309.90	4.58	-45.64
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CO2)C1	REAL250004621914	1	36	-1.0	-50.23	309.96	4.60	-45.63
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C)O1	REAL250004621915	0	39	-1.0	-48.34	320.22	3.59	-44.75
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C)O1	REAL250004621915	1	39	-1.0	-48.39	320.27	3.60	-44.79
CCOC(=O)C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621916	0	39	-1.0	-47.53	334.00	4.07	-43.46
CCOC(=O)C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621916	1	39	-1.0	-47.56	334.06	4.09	-43.47
O=C(CCCC1=N[N-]N=N1)N1CCCC1C(F)(F)F	REAL250004621917	0	32	-1.0	-49.67	275.55	3.96	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCCC1C(F)(F)F	REAL250004621917	1	32	-1.0	-49.66	275.61	3.98	-45.68
CCC1(CC)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621918	0	44	-1.0	-47.21	322.12	5.92	-41.29
CCC1(CC)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621918	1	44	-1.0	-47.23	322.18	5.93	-41.30
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004621919	0	42	-1.0	-50.06	344.05	5.99	-44.07
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004621919	1	42	-1.0	-50.03	344.10	6.00	-44.03
COC(=O)CC(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004621920	0	41	-1.0	-51.14	342.24	4.08	-47.06
COC(=O)CC(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004621920	1	41	-1.0	-51.16	342.30	4.09	-47.07
CC1N(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2C1(C)C	REAL250004621921	0	42	-1.0	-46.30	326.33	6.88	-39.42
CC1N(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2C1(C)C	REAL250004621921	1	42	-1.0	-46.27	326.38	6.90	-39.37
COC(=O)C(C)(CCF)NC(=O)CCCC1=N[N-]N=N1	REAL250004621922	0	37	-1.0	-46.48	309.56	3.00	-43.48
COC(=O)C(C)(CCF)NC(=O)CCCC1=NN=N[N-]1	REAL250004621922	1	37	-1.0	-46.48	309.62	3.02	-43.46
O=C(CCCC1=N[N-]N=N1)NCC(O)(C1CC1)C1CC1	REAL250004621923	0	40	-1.0	-46.61	318.46	2.60	-44.01
O=C(CCCC1=NN=N[N-]1)NCC(O)(C1CC1)C1CC1	REAL250004621923	1	40	-1.0	-46.58	318.51	2.61	-43.97
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCO1	REAL250004621924	0	37	-1.0	-48.05	305.05	-1.15	-49.20
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCO1	REAL250004621924	1	37	-1.0	-48.04	305.10	-1.13	-49.17
COC(=O)C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621925	0	36	-1.0	-47.86	312.14	3.14	-44.72
COC(=O)C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621925	1	36	-1.0	-47.89	312.20	3.16	-44.73
CCC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004621926	0	37	-1.0	-54.77	316.15	4.64	-50.13
CCC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004621926	1	37	-1.0	-54.79	316.21	4.65	-50.14
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004621927	0	36	-1.0	-48.11	299.94	3.63	-44.48
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004621927	1	36	-1.0	-48.12	300.00	3.64	-44.48
O=C(CCCC1=NN=N[N-]1)N1CCCC(N2C=CC=N2)C1	REAL250004621928	0	39	-1.0	-54.76	316.57	4.32	-50.44
O=C(CCCC1=N[N-]N=N1)N1CCCC(N2C=CC=N2)C1	REAL250004621928	1	39	-1.0	-54.75	316.52	4.31	-50.44
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCF)C1	REAL250004621929	0	38	-1.0	-48.10	302.50	5.01	-43.09
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCF)C1	REAL250004621929	1	38	-1.0	-48.13	302.56	5.02	-43.11
COCCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621930	0	45	-1.0	-47.83	351.06	4.71	-43.12
COCCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621930	1	45	-1.0	-47.81	351.12	4.72	-43.09
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=NC=C2)CCC1	REAL250004621931	0	38	-1.0	-50.02	312.09	3.66	-46.36
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=NC=C2)CCC1	REAL250004621931	1	38	-1.0	-49.96	312.03	3.64	-46.32
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1CC1	REAL250004621932	0	39	-1.0	-46.82	319.32	1.48	-45.34
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1CC1	REAL250004621932	1	39	-1.0	-46.80	319.38	1.49	-45.31
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004621933	0	34	-1.0	-59.26	288.11	-2.79	-62.05
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004621933	1	34	-1.0	-59.23	288.17	-2.78	-62.01
CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621934	0	35	-1.0	-53.48	303.38	2.76	-50.72
CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621934	1	35	-1.0	-53.52	303.32	2.74	-50.78
CC1(C)OCC2CC21NC(=O)CCCC1=N[N-]N=N1	REAL250004621935	0	37	-1.0	-51.07	296.53	2.04	-49.03
CC1(C)OCC2CC21NC(=O)CCCC1=NN=N[N-]1	REAL250004621935	1	37	-1.0	-51.05	296.59	2.05	-49.00
CCC(NC(=O)CCCC1=N[N-]N=N1)(C1CC1)C1CC1	REAL250004621936	0	42	-1.0	-46.88	313.48	5.08	-41.80
CCC(NC(=O)CCCC1=NN=N[N-]1)(C1CC1)C1CC1	REAL250004621936	1	42	-1.0	-46.83	313.54	5.09	-41.74
CC(C)CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004621937	0	41	-1.0	-46.00	331.20	1.05	-44.95
CC(C)CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004621937	1	41	-1.0	-46.04	331.26	1.06	-44.98
NC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621938	0	33	-1.0	-57.34	276.06	0.88	-56.46
NC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621938	1	33	-1.0	-57.37	276.12	0.90	-56.47
NC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621939	0	33	-1.0	-45.46	285.64	-0.02	-45.48
NC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621939	1	33	-1.0	-45.43	285.72	-0.01	-45.44
CC12COCC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004621940	0	37	-1.0	-47.55	294.68	2.43	-45.12
CC12COCC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004621940	1	37	-1.0	-47.55	294.74	2.44	-45.11
CCC1C(=O)N(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621941	0	39	-1.0	-53.31	312.11	3.24	-50.07
CCC1C(=O)N(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621941	1	39	-1.0	-53.30	312.17	3.25	-50.05
O=C(CCCC1=N[N-]N=N1)NC1CC(O)C12CCC2	REAL250004621942	0	37	-1.0	-46.52	301.75	0.50	-46.02
O=C(CCCC1=NN=N[N-]1)NC1CC(O)C12CCC2	REAL250004621942	1	37	-1.0	-46.52	301.81	0.51	-46.01
O=C(CCCC1=N[N-]N=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004621943	0	34	-1.0	-49.69	276.54	0.76	-48.93
O=C(CCCC1=NN=N[N-]1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004621943	1	34	-1.0	-49.73	276.60	0.78	-48.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004621944	0	34	-1.0	-37.08	284.36	1.04	-36.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004621944	1	34	-1.0	-37.06	284.43	1.04	-36.02
C=CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004621945	0	39	-1.0	-47.35	310.59	4.44	-42.91
C=CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004621945	1	39	-1.0	-47.35	310.64	4.46	-42.89
C=CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004621946	0	39	-1.0	-35.94	321.19	4.24	-31.70
C=CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004621946	1	39	-1.0	-35.91	321.25	4.25	-31.66
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004621947	0	39	-1.0	-46.79	304.90	3.48	-43.31
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004621947	1	39	-1.0	-46.82	304.96	3.49	-43.33
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OCC2	REAL250004621948	0	34	-1.0	-47.94	288.26	3.20	-44.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OCC2	REAL250004621948	1	34	-1.0	-47.95	288.31	3.22	-44.73
CC1(NC(=O)CCCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004621949	0	38	-1.0	-46.95	301.99	4.17	-42.78
CC1(NC(=O)CCCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004621949	1	38	-1.0	-46.98	302.05	4.19	-42.79
O=C(NN1CCOC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621950	0	31	-1.0	-64.49	277.67	3.14	-61.35
O=C(NN1CCOC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621950	1	31	-1.0	-64.27	277.77	3.17	-61.10
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004621953	0	39	-1.0	-59.61	313.41	3.76	-55.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004621953	1	39	-1.0	-59.62	313.45	3.77	-55.85
CC1=CC=C2OC(CNC(=O)CCCC3=N[N-]N=N3)=CC2=C1	REAL250004621954	0	38	-1.0	-47.64	328.36	4.66	-42.98
CC1=CC=C2OC(CNC(=O)CCCC3=NN=N[N-]3)=CC2=C1	REAL250004621954	1	38	-1.0	-47.66	328.42	4.67	-42.99
O=C(NCCC1=COC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621955	0	35	-1.0	-55.63	305.70	5.10	-50.53
O=C(NCCC1=COC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621955	1	35	-1.0	-55.44	305.80	5.12	-50.32
O=C(NCCC1=COC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621956	0	32	-1.0	-37.41	291.91	1.99	-35.42
O=C(NCCC1=COC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621956	1	32	-1.0	-37.41	291.98	2.00	-35.41
CCON(CC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621957	0	39	-1.0	-46.16	330.73	1.73	-44.43
CCON(CC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621957	1	39	-1.0	-46.18	330.79	1.74	-44.44
COC1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621958	0	30	-1.0	-51.12	264.96	-1.34	-52.46
COC1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621958	1	30	-1.0	-51.12	265.02	-1.32	-52.44
COC1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004621959	0	30	-1.0	-36.83	275.52	-1.54	-38.37
COC1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004621959	1	30	-1.0	-36.79	275.59	-1.53	-38.32
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(F)CC1	REAL250004621960	0	35	-1.0	-51.26	279.34	4.53	-46.73
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(F)CC1	REAL250004621960	1	35	-1.0	-51.25	279.40	4.55	-46.70
O=C(CCCC1=NN=N[N-]1)NC1=CN(CCF)N=C1	REAL250004621961	0	32	-1.0	-52.03	283.41	2.10	-49.93
O=C(CCCC1=N[N-]N=N1)NC1=CN(CCF)N=C1	REAL250004621961	1	32	-1.0	-51.98	283.35	2.10	-49.88
CN(CC1=CN(C)N=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004621962	0	34	-1.0	-62.38	293.72	2.09	-60.29
CN(CC1=CN(C)N=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004621962	1	34	-1.0	-62.39	293.78	2.10	-60.29
CN(CC1=CN(C)N=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621963	0	34	-1.0	-47.86	301.68	2.50	-45.36
CN(CC1=CN(C)N=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621963	1	34	-1.0	-47.78	301.75	2.52	-45.26
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621964	0	41	-1.0	-45.15	310.77	5.46	-39.69
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621964	1	41	-1.0	-45.19	310.83	5.47	-39.72
COC(=O)N(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004621965	0	36	-1.0	-53.89	310.44	0.81	-53.08
COC(=O)N(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004621965	1	36	-1.0	-53.91	310.50	0.82	-53.09
NC1=NC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL250004621966	0	36	-1.0	-48.28	300.53	3.14	-45.14
NC1=NC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL250004621966	1	36	-1.0	-48.28	300.59	3.15	-45.13
O=C(NCC1CC=CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621967	0	36	-1.0	-52.38	301.01	5.93	-46.45
O=C(NCC1CC=CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621967	1	36	-1.0	-52.22	301.11	5.95	-46.27
O=C(NCC1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621968	0	33	-1.0	-34.99	287.23	2.81	-32.18
O=C(NCC1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621968	1	33	-1.0	-34.98	287.30	2.82	-32.16
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004621969	0	36	-1.0	-52.49	320.15	-0.31	-52.80
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004621969	1	36	-1.0	-52.50	320.21	-0.29	-52.79
NC(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621970	0	33	-1.0	-56.52	282.49	-1.48	-58.00
NC(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621970	1	33	-1.0	-56.59	282.55	-1.47	-58.06
NC(=O)[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004621971	0	33	-1.0	-42.67	293.10	-1.69	-44.36
NC(=O)[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004621971	1	33	-1.0	-42.63	293.16	-1.68	-44.31
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1NC2CCC1C2	REAL250004621972	0	32	-1.0	-38.07	270.07	2.85	-35.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1NC2CCC1C2	REAL250004621972	1	32	-1.0	-38.03	270.14	2.85	-35.18
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2CC21	REAL250004621973	0	39	-1.0	-46.37	308.61	4.45	-41.92
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2CC21	REAL250004621973	1	39	-1.0	-46.37	308.67	4.46	-41.91
O=C(NCC1CCCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621974	0	39	-1.0	-34.66	319.22	4.26	-30.40
O=C(NCC1CCCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621974	1	39	-1.0	-34.63	319.29	4.26	-30.37
C=CCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621975	0	36	-1.0	-46.86	309.10	1.84	-45.02
C=CCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621975	1	36	-1.0	-46.83	309.16	1.85	-44.98
C=CCOCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621976	0	36	-1.0	-36.16	319.70	1.63	-34.53
C=CCOCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621976	1	36	-1.0	-36.10	319.76	1.64	-34.46
COCC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004621977	0	36	-1.0	-47.01	324.61	2.30	-44.71
COCC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004621977	1	36	-1.0	-47.03	324.67	2.31	-44.72
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2COCCC2=C1	REAL250004621978	0	37	-1.0	-48.73	307.01	3.45	-45.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2COCCC2=C1	REAL250004621978	1	37	-1.0	-48.76	307.07	3.46	-45.30
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC=CC2=C1	REAL250004621979	0	40	-1.0	-48.19	324.15	6.38	-41.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC=CC2=C1	REAL250004621979	1	40	-1.0	-48.22	324.21	6.39	-41.83
CC1=CN=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621980	0	36	-1.0	-51.76	311.99	1.16	-50.60
CC1=CN=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621980	1	36	-1.0	-51.78	312.05	1.17	-50.61
CCC(C)(C)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621981	0	42	-1.0	-46.84	334.38	3.84	-43.00
CCC(C)(C)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621981	1	42	-1.0	-46.86	334.44	3.85	-43.01
CN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004621982	0	36	-1.0	-58.13	295.74	1.32	-56.81
CN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004621982	1	36	-1.0	-58.15	295.80	1.34	-56.81
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCO2	REAL250004621983	0	34	-1.0	-47.33	283.25	2.11	-45.22
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCO2	REAL250004621983	1	34	-1.0	-47.35	283.31	2.12	-45.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCO2	REAL250004621984	0	34	-1.0	-39.92	291.54	2.09	-37.83
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCO2	REAL250004621984	1	34	-1.0	-39.89	291.60	2.10	-37.79
COC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004621985	0	34	-1.0	-48.04	285.77	3.22	-44.82
COC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004621985	1	34	-1.0	-48.05	285.83	3.23	-44.82
COC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621986	0	34	-1.0	-38.26	293.86	3.63	-34.63
COC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621986	1	34	-1.0	-38.22	293.93	3.64	-34.58
O=C(CCCC1=NN=N[N-]1)NCCC1=CON=C1	REAL250004621987	0	31	-1.0	-51.28	275.62	1.67	-49.61
O=C(CCCC1=N[N-]N=N1)NCCC1=CON=C1	REAL250004621987	1	31	-1.0	-51.29	275.56	1.65	-49.64
O=C(NCCC1=CON=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004621988	0	34	-1.0	-57.24	299.91	4.57	-52.67
O=C(NCCC1=CON=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004621988	1	34	-1.0	-57.35	300.39	4.56	-52.79
O=C(NCCC1=CON=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621989	0	31	-1.0	-38.83	286.23	1.46	-37.37
O=C(NCCC1=CON=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621989	1	31	-1.0	-38.87	286.16	1.45	-37.42
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NS1	REAL250004621990	0	28	-1.0	-46.70	263.89	1.29	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NS1	REAL250004621990	1	28	-1.0	-46.69	263.94	1.31	-45.38
O=C(NCC1=CC=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621991	0	28	-1.0	-36.68	274.48	1.09	-35.59
O=C(NCC1=CC=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621991	1	28	-1.0	-36.69	274.55	1.09	-35.60
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004621992	0	38	-1.0	-52.53	309.52	6.36	-46.17
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004621992	1	38	-1.0	-52.35	309.62	6.38	-45.97
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004621993	0	35	-1.0	-35.32	301.41	3.50	-31.82
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004621993	1	35	-1.0	-35.29	301.48	3.52	-31.77
CCC1COCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004621994	0	36	-1.0	-46.17	294.59	1.33	-44.84
CCC1COCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004621994	1	36	-1.0	-46.18	294.64	1.34	-44.84
CCC1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621995	0	36	-1.0	-35.08	301.00	1.50	-33.58
CCC1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621995	1	36	-1.0	-35.03	301.07	1.50	-33.53
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@@H]1C1=CC=CC=C1	REAL250004621996	0	39	-1.0	-49.21	316.92	5.98	-43.23
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@@H]1C1=CC=CC=C1	REAL250004621996	1	39	-1.0	-49.21	316.98	5.99	-43.22
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004621997	0	39	-1.0	-48.22	315.21	3.79	-44.43
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004621997	1	39	-1.0	-48.18	315.27	3.81	-44.37
CC1=C(C#N)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004621998	0	30	-1.0	-51.93	277.12	1.98	-49.95
CC1=C(C#N)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004621998	1	30	-1.0	-51.93	277.18	1.99	-49.94
CC1=C(C#N)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004621999	0	30	-1.0	-41.86	287.71	1.76	-40.10
CC1=C(C#N)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004621999	1	30	-1.0	-41.86	287.78	1.78	-40.08
CC(C)NC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004622000	0	40	-1.0	-48.02	325.19	3.97	-44.05
CC(C)NC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004622000	1	40	-1.0	-48.05	325.24	3.98	-44.07
O=C(CCCC1=N[N-]N=N1)N1CCSC2CCC21	REAL250004622001	0	34	-1.0	-46.51	280.84	4.53	-41.98
O=C(CCCC1=NN=N[N-]1)N1CCSC2CCC21	REAL250004622001	1	34	-1.0	-46.51	280.89	4.55	-41.96
CC1=CC=C(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL250004622002	0	42	-1.0	-48.80	350.62	7.24	-41.56
CC1=CC=C(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL250004622002	1	42	-1.0	-48.78	350.68	7.25	-41.53
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2(F)F)CC1	REAL250004622003	0	39	-1.0	-47.75	320.32	5.05	-42.70
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2(F)F)CC1	REAL250004622003	1	39	-1.0	-47.77	320.37	5.06	-42.71
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004622004	0	36	-1.0	-46.28	282.47	0.86	-45.42
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004622004	1	36	-1.0	-46.24	282.53	0.87	-45.37
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622005	0	36	-1.0	-35.31	290.73	1.04	-34.27
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622005	1	36	-1.0	-35.28	290.80	1.05	-34.23
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C(N)=O)O1	REAL250004622006	0	37	-1.0	-52.84	307.09	-0.15	-52.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C(N)=O)O1	REAL250004622006	1	37	-1.0	-52.82	307.15	-0.13	-52.95
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1OC	REAL250004622007	0	36	-1.0	-49.61	309.86	0.01	-49.60
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1OC	REAL250004622007	1	36	-1.0	-49.64	309.81	0.00	-49.64
O=C(CCCC1=N[N-]N=N1)NC1=C2NC=CC2=CC=N1	REAL250004622008	0	32	-1.0	-55.95	280.60	3.09	-52.86
O=C(CCCC1=NN=N[N-]1)NC1=C2NC=CC2=CC=N1	REAL250004622008	1	32	-1.0	-56.00	280.66	3.10	-52.90
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)S2	REAL250004622011	0	37	-1.0	-51.55	288.92	5.26	-46.29
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)S2	REAL250004622011	1	37	-1.0	-51.60	288.97	5.28	-46.32
CS(=O)(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622012	0	34	-1.0	-54.72	305.86	-1.89	-56.61
CS(=O)(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622012	1	34	-1.0	-54.75	305.92	-1.87	-56.62
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004622013	0	39	-1.0	-48.22	315.21	3.79	-44.43
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004622013	1	39	-1.0	-48.18	315.27	3.81	-44.37
CN1N=CC(C2CC2)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622014	0	39	-1.0	-46.38	329.80	3.10	-43.28
CN1N=CC(C2CC2)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622014	1	39	-1.0	-46.39	329.85	3.12	-43.27
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004622015	0	39	-1.0	-46.73	308.57	2.05	-44.68
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004622015	1	39	-1.0	-46.70	308.63	2.07	-44.63
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004622016	0	32	-1.0	-46.85	284.03	2.71	-44.14
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004622016	1	32	-1.0	-46.84	284.09	2.73	-44.11
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL250004622017	0	32	-1.0	-37.51	294.40	2.50	-35.01
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL250004622017	1	32	-1.0	-37.45	294.46	2.50	-34.95
CC(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004622018	0	36	-1.0	-50.80	285.66	1.63	-49.17
CC(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004622018	1	36	-1.0	-50.84	285.71	1.65	-49.19
CC(O)[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622019	0	36	-1.0	-38.40	293.51	1.89	-36.51
CC(O)[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622019	1	36	-1.0	-38.33	293.58	1.89	-36.44
CC1(C)CCCC(CO)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622020	0	45	-1.0	-46.37	329.00	2.12	-44.25
CC1(C)CCCC(CO)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622020	1	45	-1.0	-46.40	329.06	2.14	-44.26
O=C(CCCC1=N[N-]N=N1)NCCCC1CCC1	REAL250004622021	0	38	-1.0	-46.39	310.40	4.09	-42.30
O=C(CCCC1=NN=N[N-]1)NCCCC1CCC1	REAL250004622021	1	38	-1.0	-46.42	310.46	4.10	-42.32
O=C(NCCCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622022	0	38	-1.0	-34.85	320.99	3.89	-30.96
O=C(NCCCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622022	1	38	-1.0	-34.82	321.06	3.89	-30.93
CC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004622023	0	35	-1.0	-47.21	301.07	3.29	-43.92
CC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004622023	1	35	-1.0	-47.24	301.12	3.30	-43.94
COC(=O)C1=C(CNC(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004622024	0	35	-1.0	-52.12	313.21	2.12	-50.00
COC(=O)C1=C(CNC(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004622024	1	35	-1.0	-52.12	313.27	2.13	-49.99
NC(=O)C1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004622025	0	32	-1.0	-49.13	301.42	-2.69	-51.82
NC(=O)C1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004622025	1	32	-1.0	-49.15	301.47	-2.67	-51.82
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004622026	0	38	-1.0	-45.79	294.57	3.98	-41.81
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004622026	1	38	-1.0	-45.83	294.63	3.99	-41.84
CCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004622027	0	38	-1.0	-35.90	305.68	3.41	-32.49
CCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004622027	1	38	-1.0	-35.91	305.75	3.41	-32.50
CC(=O)NC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004622029	0	36	-1.0	-51.48	306.68	2.56	-48.92
CC(=O)NC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004622029	1	36	-1.0	-51.50	306.74	2.58	-48.92
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N(C1CC1)C1CC1	REAL250004622030	0	36	-1.0	-45.34	296.62	7.10	-38.24
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N(C1CC1)C1CC1	REAL250004622030	1	36	-1.0	-45.24	296.79	7.11	-38.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(C1CC1)C1CC1	REAL250004622031	0	33	-1.0	-40.84	275.25	3.66	-37.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(C1CC1)C1CC1	REAL250004622031	1	33	-1.0	-40.82	275.32	3.66	-37.16
O=C(CCCC1=N[N-]N=N1)NN1CCS(=O)(=O)CC1	REAL250004622032	0	34	-1.0	-53.77	296.98	-1.47	-55.24
O=C(CCCC1=NN=N[N-]1)NN1CCS(=O)(=O)CC1	REAL250004622032	1	34	-1.0	-53.77	297.04	-1.45	-55.22
COC(=O)C1(OC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622033	0	39	-1.0	-51.59	322.36	2.62	-48.97
COC(=O)C1(OC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622033	1	39	-1.0	-51.57	322.41	2.64	-48.93
CCCOC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622034	0	38	-1.0	-50.20	321.13	2.60	-47.60
CCCOC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622034	1	38	-1.0	-50.23	321.07	2.59	-47.64
COC(=O)N(C)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004622035	0	39	-1.0	-59.92	328.54	2.94	-56.98
COC(=O)N(C)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004622035	1	39	-1.0	-59.93	328.60	2.95	-56.98
CN(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004622036	0	33	-1.0	-50.60	286.82	3.48	-47.12
CN(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004622036	1	33	-1.0	-50.61	286.88	3.49	-47.12
CN(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004622037	0	33	-1.0	-40.38	297.42	3.26	-37.12
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004622037	1	33	-1.0	-40.32	297.49	3.26	-37.06
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H]2CCC[C@@H]21	REAL250004622038	0	37	-1.0	-47.38	289.80	3.00	-44.38
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H]2CCC[C@@H]21	REAL250004622038	1	37	-1.0	-47.38	289.85	3.01	-44.37
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=C(O)C=C21	REAL250004622039	0	37	-1.0	-52.50	313.06	1.87	-50.63
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=C(O)C=C21	REAL250004622039	1	37	-1.0	-52.51	313.11	1.88	-50.63
CC1=CC=C(O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622040	0	36	-1.0	-48.72	310.55	1.31	-47.41
CC1=CC=C(O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622040	1	36	-1.0	-48.73	310.61	1.33	-47.40
CN(CC1(C)COC1)C(=O)CCCC1=N[N-]N=N1	REAL250004622041	0	36	-1.0	-48.07	290.35	2.45	-45.62
CN(CC1(C)COC1)C(=O)CCCC1=NN=N[N-]1	REAL250004622041	1	36	-1.0	-48.12	290.41	2.47	-45.65
CN(CC1(C)COC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622042	0	36	-1.0	-36.86	296.55	2.79	-34.07
CN(CC1(C)COC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622042	1	36	-1.0	-36.88	296.63	2.79	-34.09
O=C(NC1=CC=NO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622043	0	28	-1.0	-59.03	254.82	4.27	-54.76
O=C(NC1=CC=NO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622043	1	28	-1.0	-58.84	254.88	4.30	-54.54
O=C(NC1=CC=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622044	0	25	-1.0	-37.97	240.73	1.19	-36.78
O=C(NC1=CC=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622044	1	25	-1.0	-37.99	240.66	1.19	-36.80
CN1N=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004622045	0	30	-1.0	-58.71	271.78	4.56	-54.15
CN1N=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004622045	1	30	-1.0	-58.48	271.87	4.56	-53.92
CN1N=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004622046	0	27	-1.0	-39.90	258.11	1.44	-38.46
CN1N=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004622046	1	27	-1.0	-39.90	258.04	1.43	-38.47
O=C(NC1=NN=CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622047	0	27	-1.0	-60.73	249.33	-0.54	-61.27
O=C(NC1=NN=CO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622047	1	27	-1.0	-60.50	249.43	-0.51	-61.01
O=C(NC1=NN=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622048	0	24	-1.0	-40.38	235.61	-3.65	-44.03
O=C(NC1=NN=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622048	1	24	-1.0	-40.39	235.54	-3.66	-44.05
CCO[C@@]1(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004622049	0	36	-1.0	-46.16	300.62	1.86	-44.30
CCO[C@@]1(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004622049	1	36	-1.0	-46.14	300.68	1.88	-44.26
CCO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622050	0	36	-1.0	-36.88	311.21	1.67	-35.21
CCO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622050	1	36	-1.0	-36.81	311.28	1.67	-35.14
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCC2)C1	REAL250004622051	0	42	-1.0	-47.18	324.70	6.19	-40.99
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCC2)C1	REAL250004622051	1	42	-1.0	-47.19	324.76	6.21	-40.98
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=C2)CC1	REAL250004622052	0	38	-1.0	-50.16	310.87	4.40	-45.76
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=C2)CC1	REAL250004622052	1	38	-1.0	-50.20	310.93	4.42	-45.78
CC1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004622053	0	39	-1.0	-48.44	299.79	5.27	-43.17
CC1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004622053	1	39	-1.0	-48.44	299.85	5.28	-43.16
CC1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622054	0	39	-1.0	-37.19	306.78	5.51	-31.68
CC1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622054	1	39	-1.0	-37.16	306.84	5.52	-31.64
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)CO	REAL250004622055	0	39	-1.0	-51.21	307.17	1.12	-50.09
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)CO	REAL250004622055	1	39	-1.0	-51.23	307.23	1.14	-50.09
CCOC(=O)C12CC(C1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004622056	0	39	-1.0	-51.82	322.00	5.85	-45.97
CCOC(=O)C12CC(C1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004622056	1	39	-1.0	-51.82	322.06	5.87	-45.95
COC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622057	0	35	-1.0	-48.20	302.68	1.01	-47.19
COC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622057	1	35	-1.0	-48.25	302.73	1.03	-47.22
CCC(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622058	0	41	-1.0	-48.81	331.91	5.93	-42.88
CCC(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622058	1	41	-1.0	-48.84	331.97	5.94	-42.90
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC1(CC1)C2	REAL250004622059	0	40	-1.0	-48.13	307.60	5.83	-42.30
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC1(CC1)C2	REAL250004622059	1	40	-1.0	-48.14	307.65	5.85	-42.29
CC1(C)CCC(C)(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622060	0	44	-1.0	-45.78	322.99	6.05	-39.73
CC1(C)CCC(C)(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622060	1	44	-1.0	-45.83	323.05	6.07	-39.76
COCC1CCCN1NC(=O)CCCC1=N[N-]N=N1	REAL250004622061	0	38	-1.0	-49.31	312.34	1.53	-47.78
COCC1CCCN1NC(=O)CCCC1=NN=N[N-]1	REAL250004622061	1	38	-1.0	-49.30	312.40	1.55	-47.75
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=C(O)C=C2C1	REAL250004622062	0	34	-1.0	-49.06	292.92	2.16	-46.90
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C(O)C=C2C1	REAL250004622062	1	34	-1.0	-49.11	292.98	2.17	-46.94
CCN1N=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622063	0	35	-1.0	-46.35	300.73	1.94	-44.41
CCN1N=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622063	1	35	-1.0	-46.35	300.78	1.96	-44.39
CCN1N=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622064	0	35	-1.0	-36.92	311.32	1.75	-35.17
CCN1N=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622064	1	35	-1.0	-36.92	311.39	1.76	-35.16
O=C(NCC1=CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622065	0	36	-1.0	-51.81	302.52	6.05	-45.76
O=C(NCC1=CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622065	1	36	-1.0	-51.67	303.00	6.03	-45.64
O=C(NCC1=CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622066	0	33	-1.0	-34.76	288.77	2.93	-31.83
O=C(NCC1=CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622066	1	33	-1.0	-34.74	288.83	2.93	-31.81
O=C(CCCC1=N[N-]N=N1)NCC1CCN1C1CC1	REAL250004622067	1	38	-1.0	-46.41	306.59	0.51	-45.90
O=C(CCCC1=NN=N[N-]1)NCC1CCN1C1CC1	REAL250004622067	1	38	-1.0	-46.41	306.65	0.53	-45.88
O=C(NCC1CCN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622068	0	38	-1.0	-36.07	322.25	0.60	-35.47
O=C(NCC1CCN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622068	1	38	-1.0	-36.08	322.32	0.61	-35.47
O=C(CCCC1=N[N-]N=N1)NC1CCC(C2CCC2)CC1	REAL250004622069	0	45	-1.0	-47.01	349.05	5.75	-41.26
O=C(CCCC1=NN=N[N-]1)NC1CCC(C2CCC2)CC1	REAL250004622069	1	45	-1.0	-47.05	349.11	5.76	-41.29
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622070	0	42	-1.0	-50.29	336.50	3.01	-47.28
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622070	1	42	-1.0	-50.30	336.55	3.02	-47.28
NC(=O)C12CC(C1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004622071	0	34	-1.0	-50.40	281.95	0.54	-49.86
NC(=O)C12CC(C1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004622071	1	34	-1.0	-50.44	282.01	0.56	-49.88
NC(=O)C12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622072	0	34	-1.0	-38.67	289.71	0.49	-38.18
NC(=O)C12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622072	1	34	-1.0	-38.68	289.78	0.49	-38.19
C=C(C)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622073	0	35	-1.0	-38.25	293.05	6.45	-31.80
C=C(C)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622073	1	35	-1.0	-38.09	293.16	6.47	-31.62
C=C(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622074	0	32	-1.0	-35.51	279.38	4.21	-31.30
C=C(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622074	1	32	-1.0	-35.51	279.45	4.23	-31.28
O=C(NOCC1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622075	0	36	-1.0	-56.16	305.13	6.61	-49.55
O=C(NOCC1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622075	1	36	-1.0	-55.93	305.60	6.60	-49.33
O=C(NOCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622076	0	33	-1.0	-36.17	291.38	3.47	-32.70
O=C(NOCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622076	1	33	-1.0	-36.13	291.44	3.48	-32.65
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(F)(F)C2	REAL250004622077	0	36	-1.0	-46.66	287.23	4.75	-41.91
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(F)(F)C2	REAL250004622077	1	36	-1.0	-46.68	287.29	4.76	-41.92
CC1=CNC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C12	REAL250004622078	0	36	-1.0	-50.27	306.42	4.08	-46.19
CC1=CNC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C12	REAL250004622078	1	36	-1.0	-50.22	306.48	4.09	-46.13
CC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004622080	0	28	-1.0	-43.95	257.26	1.69	-42.26
CC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004622080	1	28	-1.0	-43.95	257.32	1.70	-42.25
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL250004622081	0	28	-1.0	-34.07	267.85	1.47	-32.60
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL250004622081	1	28	-1.0	-34.07	267.92	1.49	-32.58
COC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622083	0	32	-1.0	-46.85	287.01	-0.94	-47.79
COC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622083	1	32	-1.0	-46.82	287.07	-0.93	-47.75
O=C(CCCC1=N[N-]N=N1)NC1CCCC12OCCO2	REAL250004622084	0	38	-1.0	-48.07	308.73	1.68	-46.39
O=C(CCCC1=NN=N[N-]1)NC1CCCC12OCCO2	REAL250004622084	1	38	-1.0	-48.08	308.79	1.70	-46.38
CC1(C)CNC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004622085	0	36	-1.0	-58.34	297.01	-0.32	-58.66
CC1(C)CNC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004622085	1	36	-1.0	-58.35	297.06	-0.30	-58.65
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CC=N1	REAL250004622086	0	37	-1.0	-53.36	311.83	3.64	-49.72
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CC=N1	REAL250004622086	1	37	-1.0	-53.37	311.88	3.65	-49.72
CC1(CO)CC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004622087	0	37	-1.0	-49.47	295.69	-0.91	-50.38
CC1(CO)CC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004622087	1	37	-1.0	-49.49	295.75	-0.90	-50.39
CC1C(=O)N(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1C	REAL250004622088	0	34	-1.0	-57.60	301.00	1.10	-56.50
CC1C(=O)N(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1C	REAL250004622088	1	34	-1.0	-57.59	301.06	1.12	-56.47
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004622089	0	38	-1.0	-48.70	313.86	2.48	-46.22
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004622089	1	38	-1.0	-48.71	313.92	2.50	-46.21
CC(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004622090	0	37	-1.0	-47.49	326.85	2.49	-45.00
CC(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004622090	1	37	-1.0	-47.50	326.91	2.50	-45.00
O=C(CCCC1=N[N-]N=N1)N1CCN2N=CC=C2C1	REAL250004622091	0	33	-1.0	-49.18	276.70	2.70	-46.48
O=C(CCCC1=NN=N[N-]1)N1CCN2N=CC=C2C1	REAL250004622091	1	33	-1.0	-49.21	276.76	2.72	-46.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2N=CC=C2C1	REAL250004622092	0	33	-1.0	-36.91	284.05	2.97	-33.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2N=CC=C2C1	REAL250004622092	1	33	-1.0	-36.91	284.11	2.97	-33.94
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=CN=C2N=C1	REAL250004622093	0	31	-1.0	-57.14	277.41	4.46	-52.68
O=C(CCCC1=N[N-]N=N1)NC1=CN2C=CN=C2N=C1	REAL250004622093	1	31	-1.0	-57.10	277.35	4.44	-52.66
COC1(OC)CCOCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004622094	0	41	-1.0	-47.88	320.06	0.80	-47.08
COC1(OC)CCOCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004622094	1	41	-1.0	-47.93	320.12	0.81	-47.12
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NC=CO1	REAL250004622095	0	35	-1.0	-48.97	304.57	2.99	-45.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NC=CO1	REAL250004622095	1	35	-1.0	-48.94	304.52	2.98	-45.96
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NN=CN2)CC1	REAL250004622097	0	38	-1.0	-54.28	310.15	4.57	-49.71
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NN=CN2)CC1	REAL250004622097	1	38	-1.0	-54.28	310.21	4.58	-49.70
CC(NNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004622098	0	30	-1.0	-48.36	272.74	1.07	-47.29
CC(NNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004622098	1	30	-1.0	-48.37	272.80	1.09	-47.28
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(N2CCC2)C1	REAL250004622100	1	38	-1.0	-35.98	313.18	1.56	-34.42
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(N2CCC2)C1	REAL250004622100	1	38	-1.0	-35.94	313.25	1.56	-34.38
CN1C=NN=C1C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004622101	0	35	-1.0	-51.07	303.62	-0.09	-51.16
CN1C=NN=C1C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004622101	1	35	-1.0	-51.09	303.68	-0.07	-51.16
COC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004622102	0	38	-1.0	-52.80	326.98	0.99	-51.81
COC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004622102	1	38	-1.0	-52.85	327.04	1.00	-51.85
O=C(CCCC1=N[N-]N=N1)NCC1=NC(CO)=NN1	REAL250004622103	0	32	-1.0	-49.87	287.09	-3.04	-52.91
O=C(CCCC1=NN=N[N-]1)NCC1=NC(CO)=NN1	REAL250004622103	1	32	-1.0	-49.87	287.15	-3.03	-52.90
CC1(C(F)F)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004622104	0	36	-1.0	-48.97	295.80	2.95	-46.02
CC1(C(F)F)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004622104	1	36	-1.0	-48.95	295.85	2.96	-45.99
CC(NC(=O)CCCC1=N[N-]N=N1)(C1CC1)C1CC1	REAL250004622105	0	39	-1.0	-47.38	303.19	4.42	-42.96
CC(NC(=O)CCCC1=NN=N[N-]1)(C1CC1)C1CC1	REAL250004622105	1	39	-1.0	-47.41	303.24	4.43	-42.98
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C1CC1)C1CC1	REAL250004622106	0	39	-1.0	-35.91	313.76	4.21	-31.70
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C1CC1)C1CC1	REAL250004622106	1	39	-1.0	-35.93	313.83	4.22	-31.71
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004622107	0	38	-1.0	-46.04	295.04	4.44	-41.60
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004622107	1	38	-1.0	-45.99	295.10	4.46	-41.53
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004622108	0	38	-1.0	-34.96	305.63	4.26	-30.70
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004622108	1	38	-1.0	-34.94	305.70	4.26	-30.68
O=C(CCCC1=N[N-]N=N1)N1CC2CC(O)C2C1	REAL250004622109	0	34	-1.0	-47.44	278.90	0.67	-46.77
O=C(CCCC1=NN=N[N-]1)N1CC2CC(O)C2C1	REAL250004622109	1	34	-1.0	-47.47	278.95	0.68	-46.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC(O)C2C1	REAL250004622110	0	34	-1.0	-36.57	285.86	0.91	-35.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC(O)C2C1	REAL250004622110	1	34	-1.0	-36.53	285.93	0.91	-35.62
CC1(C)OCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622111	0	39	-1.0	-48.01	310.37	1.74	-46.27
CC1(C)OCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622111	1	39	-1.0	-47.99	310.42	1.76	-46.23
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622112	0	38	-1.0	-53.60	307.29	6.39	-47.21
CC1(C)CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622112	1	38	-1.0	-53.17	307.50	6.43	-46.74
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622113	0	35	-1.0	-35.01	296.93	2.79	-32.22
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622113	1	35	-1.0	-34.96	297.00	2.80	-32.16
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(C1=NC=CN1)C2	REAL250004622114	0	37	-1.0	-51.15	306.57	3.85	-47.30
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(C1=NC=CN1)C2	REAL250004622114	1	37	-1.0	-51.18	306.63	3.87	-47.31
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H]1C1=NNC=N1	REAL250004622115	0	35	-1.0	-55.10	296.80	3.29	-51.81
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1C1=NNC=N1	REAL250004622115	1	35	-1.0	-55.10	296.86	3.30	-51.80
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1	REAL250004622116	0	38	-1.0	-48.98	305.05	2.85	-46.13
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1	REAL250004622116	1	38	-1.0	-49.04	305.10	2.87	-46.17
C#CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622117	0	35	-1.0	-48.43	290.55	1.18	-47.25
C#CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622117	1	35	-1.0	-48.43	290.61	1.19	-47.24
C#CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004622118	0	35	-1.0	-36.22	298.27	1.44	-34.78
C#CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004622118	1	35	-1.0	-36.15	298.33	1.44	-34.71
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=C1Cl	REAL250004622119	0	31	-1.0	-50.27	290.14	3.59	-46.68
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=C1Cl	REAL250004622119	1	31	-1.0	-50.29	290.20	3.60	-46.69
CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004622122	0	33	-1.0	-47.20	288.81	2.88	-44.32
CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004622122	1	33	-1.0	-47.25	288.86	2.89	-44.36
CC1=CC=CC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004622123	0	33	-1.0	-37.99	299.40	2.66	-35.33
CC1=CC=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004622123	1	33	-1.0	-38.01	299.47	2.66	-35.35
CC1=NN=C(NNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004622124	0	33	-1.0	-50.91	289.38	4.35	-46.56
CC1=NN=C(NNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004622124	1	33	-1.0	-50.93	289.44	4.37	-46.56
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004622125	0	39	-1.0	-47.25	324.56	3.36	-43.89
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004622125	1	39	-1.0	-47.23	324.62	3.37	-43.86
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250004622126	0	42	-1.0	-48.00	309.77	5.81	-42.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250004622126	1	42	-1.0	-47.98	309.82	5.83	-42.15
COC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622127	0	36	-1.0	-48.26	314.26	2.78	-45.48
COC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622127	1	36	-1.0	-48.28	314.31	2.80	-45.48
CC1=CC=CC=C1CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622128	0	42	-1.0	-48.62	345.31	6.96	-41.66
CC1=CC=CC=C1CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622128	1	42	-1.0	-48.64	345.37	6.98	-41.66
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622129	0	36	-1.0	-52.27	303.51	3.79	-48.48
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622129	1	36	-1.0	-51.81	303.18	3.84	-47.97
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622130	0	33	-1.0	-36.83	289.36	0.71	-36.12
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622130	1	33	-1.0	-36.86	289.42	0.71	-36.15
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622131	0	39	-1.0	-47.64	321.31	6.05	-41.59
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622131	1	39	-1.0	-47.71	321.37	6.06	-41.65
CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004622132	0	40	-1.0	-46.36	326.67	4.35	-42.01
CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004622132	1	40	-1.0	-46.34	326.72	4.36	-41.98
CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622133	0	40	-1.0	-34.80	337.26	4.14	-30.66
CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622133	1	40	-1.0	-34.77	337.33	4.15	-30.62
O=C(NC1CCC2CC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622134	0	39	-1.0	-53.42	313.81	6.66	-46.76
O=C(NC1CCC2CC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622134	1	39	-1.0	-53.18	313.87	6.68	-46.50
O=C(NC1CCC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622135	0	36	-1.0	-35.21	299.64	3.56	-31.65
O=C(NC1CCC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622135	1	36	-1.0	-35.21	299.71	3.56	-31.65
CC(C)OC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622136	0	45	-1.0	-48.55	355.77	3.84	-44.71
CC(C)OC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622136	1	45	-1.0	-48.54	355.83	3.86	-44.68
O=C(CCCC1=N[N-]N=N1)NC1CCC12CCCC2	REAL250004622137	0	39	-1.0	-47.72	307.57	4.80	-42.92
O=C(CCCC1=NN=N[N-]1)NC1CCC12CCCC2	REAL250004622137	1	39	-1.0	-47.73	307.63	4.81	-42.92
O=C(NC1CCC12CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622138	0	39	-1.0	-35.08	318.91	4.28	-30.80
O=C(NC1CCC12CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622138	1	39	-1.0	-35.04	318.97	4.30	-30.74
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004622139	0	42	-1.0	-48.13	339.13	6.04	-42.09
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004622139	1	42	-1.0	-48.13	339.18	6.05	-42.08
O=C(CCCC1=N[N-]N=N1)NCCC1CC1(F)F	REAL250004622140	0	32	-1.0	-49.64	284.33	2.94	-46.70
O=C(CCCC1=NN=N[N-]1)NCCC1CC1(F)F	REAL250004622140	1	32	-1.0	-49.68	284.39	2.95	-46.73
O=C(NCCC1CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622141	0	32	-1.0	-37.87	294.92	2.74	-35.13
O=C(NCCC1CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622141	1	32	-1.0	-37.89	294.99	2.74	-35.15
CC(O)C1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004622142	0	36	-1.0	-55.15	301.74	2.83	-52.32
CC(O)C1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004622142	1	36	-1.0	-54.93	301.80	2.86	-52.07
CC(O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004622143	0	33	-1.0	-37.35	287.54	-0.58	-37.93
CC(O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004622143	1	33	-1.0	-37.30	287.60	-0.57	-37.87
CC1(C)CC1(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622144	0	38	-1.0	-53.08	308.71	5.93	-47.15
CC1(C)CC1(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622144	1	38	-1.0	-52.92	309.36	5.92	-47.00
CC1(C)CC1(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622145	0	35	-1.0	-35.90	296.86	2.92	-32.98
CC1(C)CC1(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622145	1	35	-1.0	-35.87	296.93	2.92	-32.95
CC(C)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622146	0	38	-1.0	-47.04	306.92	4.00	-43.04
CC(C)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622146	1	38	-1.0	-47.04	306.98	4.01	-43.03
CC(C)CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004622147	0	38	-1.0	-35.78	314.91	4.46	-31.32
CC(C)CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004622147	1	38	-1.0	-35.73	314.98	4.46	-31.27
O=C(CCCC1=N[N-]N=N1)N1CCC2(COC2)C1	REAL250004622148	0	34	-1.0	-47.84	280.59	1.84	-46.00
O=C(CCCC1=NN=N[N-]1)N1CCC2(COC2)C1	REAL250004622148	1	34	-1.0	-47.84	280.65	1.85	-45.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(COC2)C1	REAL250004622149	0	34	-1.0	-37.43	287.57	2.11	-35.32
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(COC2)C1	REAL250004622149	1	34	-1.0	-37.38	287.64	2.12	-35.26
CC1(C#N)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622150	0	36	-1.0	-60.08	302.05	6.00	-54.08
CC1(C#N)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622150	1	36	-1.0	-59.91	302.16	6.02	-53.89
CC1(C#N)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622151	0	33	-1.0	-42.30	290.28	3.77	-38.53
CC1(C#N)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622151	1	33	-1.0	-42.25	290.35	3.78	-38.47
C=C1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004622152	0	37	-1.0	-47.67	294.80	5.19	-42.48
C=C1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004622152	1	37	-1.0	-47.66	294.86	5.21	-42.45
C=C1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622153	0	37	-1.0	-36.33	301.66	5.40	-30.93
C=C1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622153	1	37	-1.0	-36.30	301.72	5.42	-30.88
CCCCCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004622154	0	47	-1.0	-46.37	354.38	7.18	-39.19
CCCCCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004622154	1	47	-1.0	-46.36	354.44	7.19	-39.17
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1CCC1	REAL250004622155	0	45	-1.0	-46.46	337.44	6.92	-39.54
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1CCC1	REAL250004622155	1	45	-1.0	-46.44	337.50	6.93	-39.51
CC[C@@H]1CCC[C@H](C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004622156	0	41	-1.0	-46.68	300.48	5.04	-41.64
CC[C@@H]1CCC[C@H](C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004622156	1	41	-1.0	-46.74	300.54	5.06	-41.68
CCN1N=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622157	0	34	-1.0	-47.77	295.14	0.70	-47.07
CCN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622157	1	34	-1.0	-47.77	295.20	0.72	-47.05
CCN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622158	0	34	-1.0	-38.86	305.73	0.50	-38.36
CCN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622158	1	34	-1.0	-38.85	305.80	0.50	-38.35
CC1(C)CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622159	0	44	-1.0	-46.50	338.81	4.75	-41.75
CC1(C)CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622159	1	44	-1.0	-46.48	338.87	4.76	-41.72
CC12CC(C1)CN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622160	0	36	-1.0	-57.05	289.00	6.43	-50.62
CC12CC(C1)CN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622160	1	36	-1.0	-56.88	289.09	6.43	-50.45
CC12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622161	0	33	-1.0	-37.76	277.27	3.99	-33.77
CC12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622161	1	33	-1.0	-37.77	277.34	3.99	-33.78
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2CC2C1	REAL250004622162	0	36	-1.0	-53.39	287.14	6.84	-46.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2CC2C1	REAL250004622162	1	36	-1.0	-54.11	287.28	6.78	-47.33
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC2C1	REAL250004622163	0	33	-1.0	-34.86	273.21	4.50	-30.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC2C1	REAL250004622163	1	33	-1.0	-34.81	273.28	4.50	-30.31
CCN(CC1=CN(CC)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004622164	0	41	-1.0	-47.84	341.55	5.19	-42.65
CCN(CC1=CN(CC)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004622164	1	41	-1.0	-47.81	341.49	5.18	-42.63
C=C[C@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622165	0	33	-1.0	-51.84	287.52	1.45	-50.39
C=C[C@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622165	1	33	-1.0	-51.64	287.62	1.47	-50.17
C=C[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622166	0	30	-1.0	-36.35	273.74	-1.67	-38.02
C=C[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622166	1	30	-1.0	-36.34	273.80	-1.66	-38.00
O=C(CCCC1=N[N-]N=N1)NNC1=NC=C(Cl)C=N1	REAL250004622169	0	29	-1.0	-46.67	278.80	3.19	-43.48
O=C(CCCC1=NN=N[N-]1)NNC1=NC=C(Cl)C=N1	REAL250004622169	1	29	-1.0	-46.71	278.86	3.20	-43.51
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CO	REAL250004622170	0	39	-1.0	-51.29	299.42	1.13	-50.16
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CO	REAL250004622170	1	39	-1.0	-51.31	299.48	1.14	-50.17
CC1=CC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004622171	0	35	-1.0	-48.68	294.15	6.20	-42.48
CC1=CC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004622171	1	35	-1.0	-48.66	294.20	6.22	-42.44
CC1=CC=CC=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622172	0	35	-1.0	-35.89	301.13	6.51	-29.38
CC1=CC=CC=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622172	1	35	-1.0	-35.83	301.20	6.52	-29.31
CC1=NN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004622173	0	33	-1.0	-47.00	298.10	2.39	-44.61
CC1=NN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004622173	1	33	-1.0	-47.00	298.16	2.41	-44.59
CN(CC1=CCSC1)C(=O)CCCC1=N[N-]N=N1	REAL250004622174	0	34	-1.0	-50.68	294.31	4.90	-45.78
CN(CC1=CCSC1)C(=O)CCCC1=NN=N[N-]1	REAL250004622174	1	34	-1.0	-50.70	294.37	4.92	-45.78
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004622175	0	38	-1.0	-46.12	321.90	4.80	-41.32
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004622175	1	38	-1.0	-46.14	321.96	4.82	-41.32
CCSC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622176	0	36	-1.0	-45.90	314.79	3.93	-41.97
CCSC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622176	1	36	-1.0	-45.90	314.85	3.94	-41.96
CC1=CC=CC(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004622177	0	42	-1.0	-48.84	350.57	7.15	-41.69
CC1=CC=CC(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004622177	1	42	-1.0	-48.88	350.62	7.16	-41.72
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2)C=C1	REAL250004622178	0	36	-1.0	-49.48	311.13	5.51	-43.97
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2)C=C1	REAL250004622178	1	36	-1.0	-49.48	311.07	5.50	-43.98
CC(C)(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004622179	0	38	-1.0	-49.28	307.21	4.26	-45.02
CC(C)(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004622179	1	38	-1.0	-49.27	307.15	4.24	-45.03
O=C(CCCC1=N[N-]N=N1)NCCC1CC1(Cl)Cl	REAL250004622181	0	32	-1.0	-48.45	303.73	3.81	-44.64
O=C(CCCC1=NN=N[N-]1)NCCC1CC1(Cl)Cl	REAL250004622181	1	32	-1.0	-48.47	303.78	3.82	-44.65
O=C(CCCC1=N[N-]N=N1)NCC1CCC2CC2C1	REAL250004622182	0	39	-1.0	-46.03	308.76	4.55	-41.48
O=C(CCCC1=NN=N[N-]1)NCC1CCC2CC2C1	REAL250004622182	1	39	-1.0	-46.05	308.82	4.57	-41.48
O=C(NCC1CCC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622183	0	39	-1.0	-34.69	319.31	4.35	-30.34
O=C(NCC1CCC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622183	1	39	-1.0	-34.67	319.38	4.35	-30.32
CCN1N=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004622184	0	34	-1.0	-48.29	297.76	0.50	-47.79
CCN1N=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004622184	1	34	-1.0	-48.31	297.82	0.52	-47.79
CCN1N=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004622185	0	34	-1.0	-38.46	308.35	0.29	-38.17
CCN1N=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004622185	1	34	-1.0	-38.48	308.42	0.30	-38.18
COCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622186	0	42	-1.0	-48.44	329.56	3.93	-44.51
COCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622186	1	42	-1.0	-48.44	329.62	3.94	-44.50
C=CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622187	0	39	-1.0	-36.58	313.02	7.28	-29.30
C=CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622187	1	39	-1.0	-37.73	314.94	7.27	-30.46
C=CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622188	0	36	-1.0	-36.27	304.80	4.93	-31.34
C=CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622188	1	36	-1.0	-36.24	304.87	4.93	-31.31
COC(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622189	0	35	-1.0	-49.54	300.76	2.58	-46.96
COC(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622189	1	35	-1.0	-49.54	300.82	2.60	-46.94
C[C@H](O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622190	0	32	-1.0	-36.93	283.07	-1.49	-38.42
C[C@H](O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622190	1	32	-1.0	-36.91	283.14	-1.48	-38.39
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004622191	0	37	-1.0	-45.99	304.73	3.57	-42.42
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004622191	1	37	-1.0	-46.02	304.79	3.59	-42.43
CC1(C)C(CNC(=O)CCCC2=N[N-]N=N2)C1(F)F	REAL250004622192	0	35	-1.0	-47.91	299.72	3.20	-44.71
CC1(C)C(CNC(=O)CCCC2=NN=N[N-]2)C1(F)F	REAL250004622192	1	35	-1.0	-47.88	299.78	3.22	-44.66
O=C(CCCC1=N[N-]N=N1)N1CCC2COCC2C1	REAL250004622193	0	37	-1.0	-47.64	291.06	2.71	-44.93
O=C(CCCC1=NN=N[N-]1)N1CCC2COCC2C1	REAL250004622193	1	37	-1.0	-47.65	291.12	2.73	-44.92
N#CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622194	0	33	-1.0	-38.68	283.20	5.59	-33.09
N#CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622194	1	33	-1.0	-60.49	283.91	5.60	-54.89
N#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622195	0	30	-1.0	-39.75	269.65	3.38	-36.37
N#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622195	1	30	-1.0	-39.73	269.71	3.38	-36.35
O=C(CCCC1=N[N-]N=N1)N(CCC1CC1)CC1CC1	REAL250004622196	0	42	-1.0	-46.83	343.72	7.44	-39.39
O=C(CCCC1=NN=N[N-]1)N(CCC1CC1)CC1CC1	REAL250004622196	1	42	-1.0	-46.82	343.78	7.45	-39.37
CC(C)C[C@H]1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004622197	0	42	-1.0	-46.14	320.03	3.72	-42.42
CC(C)C[C@H]1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004622197	1	42	-1.0	-46.16	320.09	3.74	-42.42
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CC2)CC1	REAL250004622198	0	40	-1.0	-46.66	310.35	2.88	-43.78
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CC2)CC1	REAL250004622198	1	40	-1.0	-46.69	310.41	2.89	-43.80
CC1CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622199	0	38	-1.0	-52.65	313.15	6.04	-46.61
CC1CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622199	1	38	-1.0	-52.48	313.22	6.07	-46.41
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622200	0	35	-1.0	-34.84	298.99	2.97	-31.87
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622200	1	35	-1.0	-34.83	299.06	2.97	-31.86
C=CCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004622201	0	38	-1.0	-45.90	301.53	3.60	-42.30
C=CCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004622201	1	38	-1.0	-45.93	301.59	3.62	-42.31
C=CCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622202	0	38	-1.0	-35.16	312.11	3.39	-31.77
C=CCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622202	1	38	-1.0	-35.13	312.18	3.41	-31.72
CC1(C)CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622203	0	45	-1.0	-47.16	341.08	1.87	-45.29
CC1(C)CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622203	1	45	-1.0	-47.18	341.14	1.88	-45.30
O=C(CCCC1=N[N-]N=N1)NCC1CCC(O)CC1	REAL250004622204	0	39	-1.0	-47.62	312.25	0.54	-47.08
O=C(CCCC1=NN=N[N-]1)NCC1CCC(O)CC1	REAL250004622204	1	39	-1.0	-47.64	312.30	0.56	-47.08
C=CCOCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622205	0	36	-1.0	-52.98	312.28	3.99	-48.99
C=CCOCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622205	1	36	-1.0	-52.82	312.35	4.01	-48.81
C=CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622206	0	33	-1.0	-36.99	298.12	0.89	-36.10
C=CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622206	1	33	-1.0	-36.97	298.19	0.90	-36.07
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC(OCCO)=C1	REAL250004622207	0	36	-1.0	-49.76	313.64	-2.08	-51.84
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC(OCCO)=C1	REAL250004622207	1	36	-1.0	-49.73	313.58	-2.10	-51.83
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004622208	0	38	-1.0	-54.63	321.08	3.94	-50.69
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004622208	1	38	-1.0	-54.66	321.14	3.96	-50.70
CC1=CN2C=CC(NC(=O)CCCC3=N[N-]N=N3)=CC2=N1	REAL250004622209	0	35	-1.0	-50.90	304.28	4.53	-46.37
CC1=CN2C=CC(NC(=O)CCCC3=NN=N[N-]3)=CC2=N1	REAL250004622209	1	35	-1.0	-50.90	304.34	4.55	-46.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1COCC2	REAL250004622210	0	37	-1.0	-49.05	304.48	3.67	-45.38
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1COCC2	REAL250004622210	1	37	-1.0	-49.06	304.54	3.69	-45.37
C=CC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622211	0	38	-1.0	-46.29	304.56	3.30	-42.99
C=CC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622211	1	38	-1.0	-46.31	304.62	3.31	-43.00
C=CC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622212	0	38	-1.0	-34.83	315.16	3.09	-31.74
C=CC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622212	1	38	-1.0	-34.77	315.22	3.10	-31.67
O=C(CCCC1=N[N-]N=N1)NCC(C1CCC1)C1CCC1	REAL250004622213	0	45	-1.0	-45.87	346.82	5.90	-39.97
O=C(CCCC1=NN=N[N-]1)NCC(C1CCC1)C1CCC1	REAL250004622213	1	45	-1.0	-45.88	346.88	5.91	-39.97
CN(C)C(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004622214	0	38	-1.0	-47.87	299.13	1.85	-46.02
CN(C)C(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004622214	1	38	-1.0	-47.88	299.19	1.86	-46.02
C#CCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004622215	0	37	-1.0	-49.56	316.04	3.96	-45.60
C#CCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004622215	1	37	-1.0	-49.57	316.10	3.98	-45.59
COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004622217	0	38	-1.0	-48.64	313.63	4.20	-44.44
COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004622217	1	38	-1.0	-48.63	313.69	4.22	-44.41
CC1=CC=CC2=C1CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004622218	0	42	-1.0	-49.49	329.32	5.71	-43.78
CC1=CC=CC2=C1CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004622218	1	42	-1.0	-49.49	329.38	5.72	-43.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(CC2CC2)C1	REAL250004622219	0	39	-1.0	-55.51	320.48	7.55	-47.96
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(CC2CC2)C1	REAL250004622219	1	39	-1.0	-54.70	321.11	7.58	-47.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CC2CC2)C1	REAL250004622220	0	36	-1.0	-36.86	308.90	4.95	-31.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CC2CC2)C1	REAL250004622220	1	36	-1.0	-36.86	308.96	4.96	-31.90
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CSC=C2)C1	REAL250004622221	0	36	-1.0	-48.77	319.14	5.39	-43.38
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CSC=C2)C1	REAL250004622221	1	36	-1.0	-48.74	319.20	5.41	-43.33
C[C@@H]1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004622222	0	36	-1.0	-47.31	300.24	5.72	-41.59
C[C@@H]1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004622222	1	36	-1.0	-47.30	300.29	5.73	-41.57
O=C(NC1CC(CO)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622223	0	36	-1.0	-54.77	302.96	2.12	-52.65
O=C(NC1CC(CO)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622223	1	36	-1.0	-54.60	303.02	2.13	-52.47
O=C(NC1CC(CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622224	0	33	-1.0	-38.04	288.80	-0.98	-39.02
O=C(NC1CC(CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622224	1	33	-1.0	-38.03	288.87	-0.98	-39.01
CC1COC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004622225	0	43	-1.0	-45.05	322.58	4.38	-40.67
CC1COC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004622225	1	43	-1.0	-45.05	322.64	4.40	-40.65
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004622226	0	42	-1.0	-46.94	330.12	3.03	-43.91
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004622226	1	42	-1.0	-46.93	330.18	3.05	-43.88
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=COC2=CC=C1	REAL250004622227	0	35	-1.0	-48.32	306.32	3.80	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=COC2=CC=C1	REAL250004622227	1	35	-1.0	-48.34	306.38	3.81	-44.53
CC(=O)N1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622228	0	36	-1.0	-56.44	300.59	1.18	-55.26
CC(=O)N1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622228	1	36	-1.0	-56.43	300.64	1.19	-55.24
CC(C1CC2=CC=CC=C21)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004622229	0	42	-1.0	-49.82	338.59	7.23	-42.59
CC(C1CC2=CC=CC=C21)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004622229	1	42	-1.0	-49.85	338.65	7.24	-42.61
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(C1=CC=CC=C1)C2	REAL250004622230	0	40	-1.0	-49.37	328.41	6.82	-42.55
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(C1=CC=CC=C1)C2	REAL250004622230	1	40	-1.0	-49.34	328.47	6.84	-42.50
COC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622231	0	40	-1.0	-49.17	327.58	1.39	-47.78
COC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622231	1	40	-1.0	-49.15	327.64	1.41	-47.74
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004622232	0	42	-1.0	-46.01	323.58	3.28	-42.73
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004622232	1	42	-1.0	-45.97	323.64	3.29	-42.68
O=C(N[C@H]1CCNC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622233	0	33	-1.0	-64.81	285.01	1.16	-63.65
O=C(N[C@H]1CCNC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622233	1	33	-1.0	-66.10	284.68	1.20	-64.90
O=C(N[C@H]1CCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622234	0	30	-1.0	-44.85	270.84	-1.92	-46.77
O=C(N[C@H]1CCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622234	1	30	-1.0	-44.80	270.91	-1.92	-46.72
COC(=O)N(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622235	0	36	-1.0	-53.89	310.44	0.81	-53.08
COC(=O)N(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622235	1	36	-1.0	-53.91	310.50	0.82	-53.09
O=C(CCCC1=N[N-]N=N1)NCCC1SCCS1	REAL250004622236	0	34	-1.0	-48.97	306.02	3.56	-45.41
O=C(CCCC1=NN=N[N-]1)NCCC1SCCS1	REAL250004622236	1	34	-1.0	-48.95	306.08	3.58	-45.37
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NS1	REAL250004622237	0	28	-1.0	-46.70	263.89	1.29	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NS1	REAL250004622237	1	28	-1.0	-46.69	263.94	1.31	-45.38
O=C(NCC1=CC=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622238	0	28	-1.0	-36.68	274.48	1.09	-35.59
O=C(NCC1=CC=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622238	1	28	-1.0	-36.69	274.55	1.09	-35.60
CCCC(CNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004622239	0	41	-1.0	-46.66	335.26	2.89	-43.77
CCCC(CNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004622239	1	41	-1.0	-46.67	335.31	2.91	-43.76
O=C(CCCC1=N[N-]N=N1)N1CC2C3COCC3C2C1	REAL250004622240	0	38	-1.0	-47.85	301.95	3.16	-44.69
O=C(CCCC1=NN=N[N-]1)N1CC2C3COCC3C2C1	REAL250004622240	1	38	-1.0	-47.86	302.01	3.18	-44.68
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CC2C1	REAL250004622241	0	33	-1.0	-54.19	274.58	6.12	-48.07
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CC2C1	REAL250004622241	1	33	-1.0	-54.06	274.69	6.13	-47.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC2C1	REAL250004622242	0	30	-1.0	-35.85	259.82	3.86	-31.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC2C1	REAL250004622242	1	30	-1.0	-35.81	259.89	3.87	-31.94
C#CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004622243	0	37	-1.0	-59.44	308.98	7.10	-52.34
C#CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004622243	1	37	-1.0	-58.35	309.63	7.13	-51.22
C#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004622244	0	34	-1.0	-38.14	297.73	4.89	-33.25
C#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004622244	1	34	-1.0	-38.10	297.79	4.89	-33.21
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](CO)[C@H](CO)C1	REAL250004622245	0	37	-1.0	-51.12	306.13	-2.66	-53.78
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](CO)[C@H](CO)C1	REAL250004622245	1	37	-1.0	-51.12	306.18	-2.64	-53.76
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H](O)[C@@H](O)C1	REAL250004622246	0	34	-1.0	-55.81	284.40	-1.49	-57.30
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@H](O)[C@@H](O)C1	REAL250004622246	1	34	-1.0	-56.39	283.92	-1.49	-57.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H](O)[C@@H](O)C1	REAL250004622247	0	31	-1.0	-37.78	272.61	-3.73	-41.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H](O)[C@@H](O)C1	REAL250004622247	1	31	-1.0	-37.78	272.68	-3.72	-41.50
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004622249	0	38	-1.0	-46.36	314.38	3.75	-42.61
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004622249	1	38	-1.0	-46.33	314.44	3.76	-42.57
CC1=CN(C)N=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622250	0	35	-1.0	-63.06	302.92	5.92	-57.14
CC1=CN(C)N=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622250	1	35	-1.0	-62.84	303.02	5.92	-56.92
CC1=CN(C)N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622251	0	32	-1.0	-42.51	289.25	2.80	-39.71
CC1=CN(C)N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622251	1	32	-1.0	-42.50	289.18	2.79	-39.71
CC1(C)CC1(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004622252	0	42	-1.0	-47.88	345.96	5.98	-41.90
CC1(C)CC1(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004622252	1	42	-1.0	-47.89	346.02	5.99	-41.90
CN(CC1CC1(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004622253	0	38	-1.0	-47.78	308.96	5.26	-42.52
CN(CC1CC1(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004622253	1	38	-1.0	-47.79	309.02	5.28	-42.51
CN(CC1CC1(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622254	0	38	-1.0	-35.94	316.65	5.67	-30.27
CN(CC1CC1(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622254	1	38	-1.0	-35.93	316.72	5.69	-30.24
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CO1	REAL250004622255	0	35	-1.0	-48.31	302.83	3.14	-45.17
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CO1	REAL250004622255	1	35	-1.0	-48.33	302.89	3.16	-45.17
O=C(NCCCC1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622256	0	35	-1.0	-37.62	313.42	2.95	-34.67
O=C(NCCCC1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622256	1	35	-1.0	-37.59	313.49	2.95	-34.64
CC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004622257	0	44	-1.0	-46.37	336.02	4.98	-41.39
CC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004622257	1	44	-1.0	-46.37	336.08	4.99	-41.38
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004622258	0	45	-1.0	-46.72	349.33	3.64	-43.08
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004622258	1	45	-1.0	-46.74	349.38	3.65	-43.09
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCC(=O)N1	REAL250004622259	0	34	-1.0	-52.47	298.83	-2.17	-54.64
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCC(=O)N1	REAL250004622259	1	34	-1.0	-52.50	298.89	-2.15	-54.65
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C(CO)C2	REAL250004622260	0	40	-1.0	-47.50	311.64	2.29	-45.21
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C(CO)C2	REAL250004622260	1	40	-1.0	-47.52	311.70	2.30	-45.22
CC1=NN2C(=C1)N=CC=C2NC(=O)CCCC1=N[N-]N=N1	REAL250004622261	0	34	-1.0	-57.81	299.66	3.69	-54.12
CC1=NN2C(=C1)N=CC=C2NC(=O)CCCC1=NN=N[N-]1	REAL250004622261	1	34	-1.0	-57.80	299.72	3.71	-54.09
O=C(CCCC1=N[N-]N=N1)NCC1SCCS1	REAL250004622262	0	31	-1.0	-46.92	283.33	3.20	-43.72
O=C(CCCC1=NN=N[N-]1)NCC1SCCS1	REAL250004622262	1	31	-1.0	-46.90	283.39	3.21	-43.69
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004622263	0	34	-1.0	-47.77	296.61	3.69	-44.08
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004622263	1	34	-1.0	-47.75	296.67	3.70	-44.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CCC(C2)C1	REAL250004622264	0	39	-1.0	-55.68	300.22	7.63	-48.05
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CCC(C2)C1	REAL250004622264	1	39	-1.0	-55.54	300.38	7.70	-47.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC(C2)C1	REAL250004622265	0	36	-1.0	-35.79	286.12	5.35	-30.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC(C2)C1	REAL250004622265	1	36	-1.0	-35.62	285.94	5.39	-30.23
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CNN=C1	REAL250004622266	0	30	-1.0	-49.30	274.00	-1.33	-50.63
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CNN=C1	REAL250004622266	1	30	-1.0	-49.30	274.05	-1.32	-50.62
CC1=CSC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622268	0	33	-1.0	-46.88	305.67	1.90	-44.98
CC1=CSC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622268	1	33	-1.0	-46.91	305.72	1.91	-45.00
CC(O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004622270	0	39	-1.0	-45.75	318.62	1.78	-43.97
CC(O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004622270	1	39	-1.0	-45.73	318.68	1.80	-43.93
CC(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004622271	0	34	-1.0	-55.84	295.54	-0.99	-56.83
CC(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004622271	1	34	-1.0	-55.82	295.60	-0.97	-56.79
O=C(NCCOCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622272	0	35	-1.0	-56.07	305.96	3.56	-52.51
O=C(NCCOCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622272	1	35	-1.0	-55.86	306.02	3.58	-52.28
O=C(NCCOCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622273	0	32	-1.0	-38.75	291.80	0.46	-38.29
O=C(NCCOCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622273	1	32	-1.0	-38.71	291.87	0.47	-38.24
CC1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004622274	0	42	-1.0	-47.28	327.95	1.57	-45.71
CC1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004622274	1	42	-1.0	-47.31	328.00	1.58	-45.73
CN=S(C)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622275	0	35	-1.0	-57.13	307.39	-2.14	-59.27
CN=S(C)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622275	1	35	-1.0	-57.18	307.44	-2.12	-59.30
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC(F)CC1	REAL250004622276	0	41	-1.0	-47.21	325.00	4.74	-42.47
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC(F)CC1	REAL250004622276	1	41	-1.0	-47.17	325.06	4.75	-42.42
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC=CN=C2C1	REAL250004622277	0	34	-1.0	-48.31	285.49	2.10	-46.21
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC=CN=C2C1	REAL250004622277	1	34	-1.0	-48.28	285.54	2.12	-46.16
O=C(CCCC1=N[N-]N=N1)N(CC1CC1)CC1CC1	REAL250004622278	0	39	-1.0	-46.24	319.94	6.60	-39.64
O=C(CCCC1=NN=N[N-]1)N(CC1CC1)CC1CC1	REAL250004622278	1	39	-1.0	-46.24	320.00	6.61	-39.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1CC1)CC1CC1	REAL250004622279	0	39	-1.0	-35.27	320.43	7.19	-28.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1CC1)CC1CC1	REAL250004622279	1	39	-1.0	-35.19	320.51	7.20	-27.99
C[C@H]1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004622280	0	36	-1.0	-47.32	300.22	5.72	-41.60
C[C@H]1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004622280	1	36	-1.0	-47.32	300.28	5.73	-41.59
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004622281	0	41	-1.0	-51.01	323.10	4.93	-46.08
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004622281	1	41	-1.0	-51.00	323.16	4.94	-46.06
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C=N1	REAL250004622282	0	30	-1.0	-45.46	283.97	2.76	-42.70
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C=N1	REAL250004622282	1	30	-1.0	-45.45	284.02	2.77	-42.68
CN(CC(=O)N1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004622283	0	39	-1.0	-54.91	321.43	3.70	-51.21
CN(CC(=O)N1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004622283	1	39	-1.0	-54.90	321.48	3.71	-51.19
CCC(CC)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004622284	0	46	-1.0	-47.66	355.69	6.70	-40.96
CCC(CC)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004622284	1	46	-1.0	-47.62	355.75	6.71	-40.91
O=C(NC1=CC=C[N+]([O-])=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004622285	0	32	-1.0	-57.41	284.59	4.89	-52.52
O=C(NC1=CC=C[N+]([O-])=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004622285	1	32	-1.0	-57.27	284.69	4.92	-52.35
O=C(NC1=CC=C[N+]([O-])=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622286	0	29	-1.0	-45.29	271.09	1.79	-43.50
O=C(NC1=CC=C[N+]([O-])=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622286	1	29	-1.0	-45.29	271.02	1.78	-43.51
CN1OC(=O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004622287	0	29	-1.0	-59.60	257.56	3.63	-55.97
CN1OC(=O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004622287	1	29	-1.0	-59.62	257.62	3.64	-55.98
CN1OC(=O)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622288	0	29	-1.0	-41.53	268.13	3.42	-38.11
CN1OC(=O)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622288	1	29	-1.0	-41.48	268.20	3.42	-38.06
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)(CO)C1	REAL250004622289	0	37	-1.0	-48.93	300.98	-1.12	-50.05
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)(CO)C1	REAL250004622289	1	37	-1.0	-48.93	301.04	-1.10	-50.03
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCC2=O)CC1	REAL250004622290	0	41	-1.0	-50.09	315.40	5.00	-45.09
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCC2=O)CC1	REAL250004622290	1	41	-1.0	-50.09	315.46	5.01	-45.08
COC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004622291	0	35	-1.0	-47.59	303.57	0.97	-46.62
COC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004622291	1	35	-1.0	-47.56	303.52	0.96	-46.60
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=NC=C12	REAL250004622292	0	33	-1.0	-55.79	282.29	3.12	-52.67
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=NC=C12	REAL250004622292	1	33	-1.0	-55.78	282.34	3.13	-52.65
O=C(NC1CCN2C=NC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622293	0	33	-1.0	-42.31	292.88	2.92	-39.39
O=C(NC1CCN2C=NC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622293	1	33	-1.0	-42.29	292.95	2.92	-39.37
O=C(CCCC1=N[N-]N=N1)NNC(=O)OCC(F)(F)F	REAL250004622294	0	30	-1.0	-46.79	288.40	-0.11	-46.90
O=C(CCCC1=NN=N[N-]1)NNC(=O)OCC(F)(F)F	REAL250004622294	1	30	-1.0	-46.73	288.45	-0.10	-46.83
NC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC1C(N)=O	REAL250004622295	0	37	-1.0	-72.58	312.39	-3.80	-76.38
NC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CC1C(N)=O	REAL250004622295	1	37	-1.0	-72.59	312.44	-3.78	-76.37
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CO)C(CO)=C1	REAL250004622296	0	37	-1.0	-53.54	312.70	-1.70	-55.24
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CO)C(CO)=C1	REAL250004622296	1	37	-1.0	-53.56	312.76	-1.68	-55.24
CN1C=NC=C1C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004622299	0	36	-1.0	-49.22	308.46	0.10	-49.12
CN1C=NC=C1C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004622299	1	36	-1.0	-49.26	308.52	0.12	-49.14
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004622300	0	39	-1.0	-51.14	319.31	0.65	-50.49
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004622300	1	39	-1.0	-51.17	319.37	0.67	-50.50
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1C=CN=C1	REAL250004622301	0	38	-1.0	-51.45	313.01	3.99	-47.46
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1C=CN=C1	REAL250004622301	1	38	-1.0	-51.46	313.07	4.01	-47.45
C=CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622302	0	35	-1.0	-48.53	296.41	5.64	-42.89
C=CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622302	1	35	-1.0	-48.44	296.55	5.64	-42.80
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)N1)C1=NN=N[N-]1	REAL250004622303	0	33	-1.0	-48.82	280.69	7.80	-41.02
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)N1)C1=N[N-]N=N1	REAL250004622303	1	33	-1.0	-48.70	280.83	7.77	-40.93
CC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004622304	0	30	-1.0	-45.81	255.46	6.19	-39.62
CC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004622304	1	30	-1.0	-45.75	255.60	6.16	-39.59
CN(C(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NN=N[N-]1	REAL250004622305	0	36	-1.0	-49.10	288.41	5.81	-43.29
CN(C(=O)C1CCCN(C2=NC=CC=N2)C1)C1=N[N-]N=N1	REAL250004622305	1	36	-1.0	-49.00	288.55	5.77	-43.23
CN(C(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622306	0	33	-1.0	-53.51	288.56	7.20	-46.31
CN(C(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622306	1	33	-1.0	-53.40	288.70	7.16	-46.24
CN(C(=O)C1=CC2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL250004622307	0	27	-1.0	-45.01	240.54	5.61	-39.40
CN(C(=O)C1=CC2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL250004622307	1	27	-1.0	-44.93	240.69	5.57	-39.36
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004622308	0	36	-1.0	-46.86	298.13	6.82	-40.04
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004622308	1	36	-1.0	-46.91	298.00	6.84	-40.07
CC1=CC(C)=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622309	0	36	-1.0	-46.76	302.55	6.93	-39.83
CC1=CC(C)=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622309	1	36	-1.0	-46.83	302.41	6.96	-39.87
CC(=O)NC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CS1	REAL250004622310	0	33	-1.0	-51.11	299.68	4.59	-46.52
CC(=O)NC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CS1	REAL250004622310	1	33	-1.0	-51.20	299.54	4.61	-46.59
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004622311	0	25	-1.0	-42.31	236.67	4.06	-38.25
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004622311	1	25	-1.0	-42.23	236.81	4.06	-38.17
CC1=CC(C)=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=NN21	REAL250004622312	0	31	-1.0	-59.98	269.48	5.04	-54.94
CC1=CC(C)=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=NN21	REAL250004622312	1	31	-1.0	-59.86	269.63	5.02	-54.84
CN(C(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004622313	0	25	-1.0	-43.87	238.16	5.19	-38.68
CN(C(=O)C1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004622313	1	25	-1.0	-43.78	238.30	5.17	-38.61
CN(C(=O)CCNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004622314	0	30	-1.0	-55.67	278.49	3.42	-52.25
CN(C(=O)CCNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004622314	1	30	-1.0	-55.74	278.35	3.45	-52.29
CN(C(=O)CCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622315	0	36	-1.0	-51.01	307.85	5.21	-45.80
CN(C(=O)CCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622315	1	36	-1.0	-51.10	307.71	5.25	-45.85
COC1=CC=C(C(C)=O)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622316	0	35	-1.0	-54.88	298.45	5.72	-49.16
COC1=CC=C(C(C)=O)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622316	1	35	-1.0	-54.94	298.31	5.75	-49.19
CCC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622317	0	35	-1.0	-46.25	294.15	8.22	-38.03
CCC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622317	1	35	-1.0	-46.31	294.02	8.25	-38.06
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004622318	0	37	-1.0	-49.04	311.58	6.08	-42.96
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004622318	1	37	-1.0	-49.11	311.45	6.11	-43.00
COC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004622319	0	33	-1.0	-48.86	278.69	6.48	-42.38
COC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004622319	1	33	-1.0	-48.79	278.83	6.49	-42.30
CC1=NOC(C)=C1CSCC(=O)N(C)C1=N[N-]N=N1	REAL250004622320	0	32	-1.0	-52.56	291.42	6.14	-46.42
CC1=NOC(C)=C1CSCC(=O)N(C)C1=NN=N[N-]1	REAL250004622320	1	32	-1.0	-52.62	291.29	6.16	-46.46
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL250004622321	0	31	-1.0	-43.28	281.79	4.78	-38.50
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL250004622321	1	31	-1.0	-43.37	281.65	4.79	-38.58
CN(C(=O)CSCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622322	0	30	-1.0	-50.02	280.70	7.44	-42.58
CN(C(=O)CSCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622322	1	30	-1.0	-50.16	280.57	7.46	-42.70
CC1=CC=CC(CSCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622323	0	33	-1.0	-49.86	295.70	8.04	-41.82
CC1=CC=CC(CSCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622323	1	33	-1.0	-49.94	295.56	8.06	-41.88
CON=CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622324	0	30	-1.0	-47.58	265.08	5.00	-42.58
CON=CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622324	1	30	-1.0	-47.47	265.22	5.01	-42.46
CN(C(=O)CC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004622325	0	36	-1.0	-48.58	292.57	8.46	-40.12
CN(C(=O)CC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004622325	1	36	-1.0	-48.66	292.43	8.49	-40.17
CN(C(=O)CN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL250004622326	0	36	-1.0	-53.12	297.94	5.19	-47.93
CN(C(=O)CN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL250004622326	1	36	-1.0	-53.17	297.80	5.21	-47.96
CN(C(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004622327	0	29	-1.0	-48.66	276.58	7.14	-41.52
CN(C(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004622327	1	29	-1.0	-48.72	276.44	7.17	-41.55
CN(C(=O)COC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622328	0	33	-1.0	-53.24	284.80	8.13	-45.11
CN(C(=O)COC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622328	1	33	-1.0	-53.27	284.66	8.15	-45.12
CN(C(=O)CCSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622329	0	30	-1.0	-46.51	270.06	7.23	-39.28
CN(C(=O)CCSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622329	1	30	-1.0	-46.57	269.93	7.27	-39.30
CC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622330	0	33	-1.0	-46.60	291.46	7.91	-38.69
CC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622330	1	33	-1.0	-46.67	291.33	7.94	-38.73
CCC(OC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622331	0	33	-1.0	-33.38	265.36	6.68	-26.70
CCC(OC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622331	1	33	-1.0	-33.40	265.20	6.69	-26.71
CN(C(=O)C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004622332	0	27	-1.0	-47.99	241.42	4.50	-43.49
CN(C(=O)C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004622332	1	27	-1.0	-48.10	241.28	4.50	-43.60
CC1=CC=C(Cl)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622333	0	30	-1.0	-52.81	276.22	7.05	-45.76
CC1=CC=C(Cl)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622333	1	30	-1.0	-52.92	276.08	7.08	-45.84
CN(C(=O)COC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004622334	0	34	-1.0	-51.52	284.31	7.76	-43.76
CN(C(=O)COC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004622334	1	34	-1.0	-51.56	284.18	7.78	-43.78
CN(C(=O)CC1OC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622335	0	30	-1.0	-58.09	267.17	6.81	-51.28
CN(C(=O)CC1OC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622335	1	30	-1.0	-58.17	267.04	6.83	-51.34
CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004622336	0	33	-1.0	-48.81	287.30	7.37	-41.44
CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004622336	1	33	-1.0	-48.89	287.17	7.40	-41.49
COC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622337	0	27	-1.0	-50.11	250.01	5.31	-44.80
COC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622337	1	27	-1.0	-50.00	250.15	5.30	-44.70
CN(C(=O)CCC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004622338	0	28	-1.0	-44.43	279.37	6.31	-38.12
CN(C(=O)CCC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004622338	1	28	-1.0	-44.46	279.24	6.35	-38.11
CN(C(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004622339	0	29	-1.0	-48.39	263.01	3.93	-44.46
CN(C(=O)C1=CC=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004622339	1	29	-1.0	-48.32	263.15	3.92	-44.40
CCCOC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622340	0	37	-1.0	-50.85	311.63	6.86	-43.99
CCCOC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622340	1	37	-1.0	-50.96	311.49	6.88	-44.08
CN(C(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622341	0	29	-1.0	-52.70	248.33	7.20	-45.50
CN(C(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622341	1	29	-1.0	-52.68	248.47	7.19	-45.49
CN(C(=O)C1=CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL250004622342	0	28	-1.0	-53.35	251.80	6.40	-46.95
CN(C(=O)C1=CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL250004622342	1	28	-1.0	-53.28	251.94	6.37	-46.91
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OCC	REAL250004622343	0	37	-1.0	-48.52	305.36	5.97	-42.55
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OCC	REAL250004622343	1	37	-1.0	-48.43	305.50	5.96	-42.47
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004622344	0	29	-1.0	-53.24	257.52	5.66	-47.58
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004622344	1	29	-1.0	-53.18	257.66	5.65	-47.53
CN(C(=O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004622345	0	41	-1.0	-32.18	295.16	7.58	-24.60
CN(C(=O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004622345	1	41	-1.0	-32.23	295.05	7.61	-24.62
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004622346	0	28	-1.0	-48.82	244.10	6.11	-42.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004622346	1	28	-1.0	-48.77	244.24	6.12	-42.65
CN(C(=O)C1=CC(F)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004622347	0	23	-1.0	-41.97	226.99	5.52	-36.45
CN(C(=O)C1=CC(F)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004622347	1	23	-1.0	-42.02	226.85	5.52	-36.50
COC1=CC(OC)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622348	0	35	-1.0	-52.17	287.40	4.57	-47.60
COC1=CC(OC)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622348	1	35	-1.0	-52.08	287.55	4.56	-47.52
CC1=CC(C)=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622349	0	33	-1.0	-50.85	281.60	7.18	-43.67
CC1=CC(C)=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622349	1	33	-1.0	-50.89	281.47	7.21	-43.68
COC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622350	0	31	-1.0	-55.51	268.03	5.61	-49.90
COC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622350	1	31	-1.0	-55.58	267.89	5.63	-49.95
CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004622351	0	33	-1.0	-51.13	277.18	7.06	-44.07
CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004622351	1	33	-1.0	-51.19	277.04	7.09	-44.10
COC1=CC=C(OC)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622352	0	31	-1.0	-52.91	262.74	4.08	-48.83
COC1=CC=C(OC)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622352	1	31	-1.0	-52.83	262.88	4.07	-48.76
CN(C(=O)C1=NNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622353	0	28	-1.0	-43.18	245.69	3.46	-39.72
CN(C(=O)C1=NNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622353	1	28	-1.0	-43.13	245.83	3.44	-39.69
CN(C(=O)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL250004622354	0	23	-1.0	-49.26	223.34	5.53	-43.73
CN(C(=O)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL250004622354	1	23	-1.0	-49.34	223.21	5.54	-43.80
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004622355	0	35	-1.0	-48.63	285.08	7.76	-40.87
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004622355	1	35	-1.0	-48.54	285.22	7.73	-40.81
CN(C(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004622356	0	31	-1.0	-57.66	275.37	6.46	-51.20
CN(C(=O)CN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004622356	1	31	-1.0	-57.60	275.51	6.44	-51.16
CN(C(=O)CCC(=O)N1CCOCC1)C1=N[N-]N=N1	REAL250004622357	0	34	-1.0	-45.80	279.79	2.88	-42.92
CN(C(=O)CCC(=O)N1CCOCC1)C1=NN=N[N-]1	REAL250004622357	1	34	-1.0	-45.83	279.66	2.90	-42.93
CN(C(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004622358	0	31	-1.0	-50.00	278.09	6.06	-43.94
CN(C(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004622358	1	31	-1.0	-50.12	277.94	6.07	-44.05
CN(C(=O)CNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL250004622359	0	27	-1.0	-46.50	248.44	1.74	-44.76
CN(C(=O)CNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL250004622359	1	27	-1.0	-46.61	248.30	1.77	-44.84
COC1=CC=CC(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622360	0	34	-1.0	-46.39	293.69	3.04	-43.35
COC1=CC=CC(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622360	1	34	-1.0	-46.44	293.55	3.06	-43.38
CCOC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004622361	0	37	-1.0	-41.20	295.92	5.19	-36.01
CCOC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004622361	1	37	-1.0	-41.22	296.07	5.23	-35.99
CCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622362	0	36	-1.0	-47.18	296.04	6.72	-40.46
CCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622362	1	36	-1.0	-47.30	295.89	6.73	-40.57
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004622363	0	28	-1.0	-49.70	258.08	6.64	-43.06
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004622363	1	28	-1.0	-49.77	257.94	6.67	-43.10
CN(C(=O)CCSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004622364	0	30	-1.0	-45.92	285.07	7.68	-38.24
CN(C(=O)CCSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004622364	1	30	-1.0	-46.02	284.93	7.72	-38.30
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004622365	0	36	-1.0	-48.81	305.12	6.22	-42.59
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004622365	1	36	-1.0	-48.79	305.26	6.20	-42.59
CC1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622366	0	31	-1.0	-48.04	264.46	5.93	-42.11
CC1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622366	1	31	-1.0	-47.97	264.59	5.92	-42.05
CN(C(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004622367	0	29	-1.0	-53.03	267.11	7.14	-45.89
CN(C(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004622367	1	29	-1.0	-53.11	266.97	7.15	-45.96
CN(C(=O)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL250004622368	0	26	-1.0	-47.00	251.15	6.60	-40.40
CN(C(=O)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL250004622368	1	26	-1.0	-47.11	251.02	6.62	-40.49
CN(C(=O)C1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004622369	0	23	-1.0	-45.80	225.54	5.50	-40.30
CN(C(=O)C1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004622369	1	23	-1.0	-45.69	225.68	5.50	-40.19
CN(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622370	0	28	-1.0	-54.68	253.17	6.42	-48.26
CN(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622370	1	28	-1.0	-54.75	253.04	6.46	-48.29
CN(C(=O)CSC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004622371	0	26	-1.0	-48.15	243.37	4.72	-43.43
CN(C(=O)CSC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004622371	1	26	-1.0	-48.08	243.51	4.69	-43.39
COC1=CC=C(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622372	0	34	-1.0	-44.96	293.61	3.05	-41.91
COC1=CC=C(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622372	1	34	-1.0	-45.03	293.48	3.08	-41.95
CN(C(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622373	0	29	-1.0	-48.21	260.07	4.09	-44.12
CN(C(=O)C1=CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622373	1	29	-1.0	-48.16	260.21	4.12	-44.04
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622374	0	33	-1.0	-46.47	281.14	6.27	-40.20
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622374	1	33	-1.0	-46.54	281.00	6.31	-40.23
CN(C(=O)CCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622375	0	30	-1.0	-45.41	286.78	7.75	-37.66
CN(C(=O)CCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622375	1	30	-1.0	-45.48	286.64	7.79	-37.69
COC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622376	0	31	-1.0	-51.07	268.28	5.13	-45.94
COC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622376	1	31	-1.0	-51.14	268.14	5.16	-45.98
CN(C(=O)CCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004622377	0	31	-1.0	-48.85	282.93	6.20	-42.65
CN(C(=O)CCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004622377	1	31	-1.0	-48.92	282.79	6.23	-42.69
CN(C(=O)COC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004622378	0	27	-1.0	-53.48	254.81	6.39	-47.09
CN(C(=O)COC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004622378	1	27	-1.0	-53.53	254.68	6.41	-47.12
CC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004622379	0	36	-1.0	-46.96	308.45	8.45	-38.51
CC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004622379	1	36	-1.0	-47.04	308.31	8.47	-38.57
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622380	0	29	-1.0	-47.36	256.39	5.56	-41.80
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622380	1	29	-1.0	-47.28	256.53	5.56	-41.72
CCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622381	0	33	-1.0	-49.03	281.22	6.20	-42.83
CCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622381	1	33	-1.0	-49.08	281.08	6.22	-42.86
CC1=NOC(C)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004622382	0	31	-1.0	-46.53	268.39	5.53	-41.00
CC1=NOC(C)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004622382	1	31	-1.0	-46.63	268.25	5.57	-41.06
CCOC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622383	0	34	-1.0	-51.22	290.13	6.06	-45.16
CCOC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622383	1	34	-1.0	-51.31	290.00	6.08	-45.23
CC1=CC(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1	REAL250004622384	0	36	-1.0	-45.07	307.01	5.07	-40.00
CC1=CC(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1	REAL250004622384	1	36	-1.0	-45.12	306.88	5.10	-40.02
CN(C(=O)CNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004622385	0	36	-1.0	-43.16	290.00	3.99	-39.17
CN(C(=O)CNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004622385	1	36	-1.0	-43.23	289.86	4.02	-39.21
CN(C(=O)CNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004622386	0	27	-1.0	-44.92	256.36	2.74	-42.18
CN(C(=O)CNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004622386	1	27	-1.0	-44.98	256.22	2.76	-42.22
CN(C(=O)CNC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004622387	0	30	-1.0	-44.37	270.62	3.81	-40.56
CN(C(=O)CNC(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004622387	1	30	-1.0	-44.44	270.49	3.83	-40.61
CCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004622388	0	34	-1.0	-44.06	287.99	5.96	-38.10
CCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004622388	1	34	-1.0	-43.95	288.13	5.95	-38.00
CN(C(=O)CSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622389	0	27	-1.0	-46.68	265.11	6.99	-39.69
CN(C(=O)CSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622389	1	27	-1.0	-46.73	264.98	7.01	-39.72
CN(C(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=NN=N[N-]1	REAL250004622390	0	37	-1.0	-49.86	297.83	7.40	-42.46
CN(C(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=N[N-]N=N1	REAL250004622390	1	37	-1.0	-49.84	297.98	7.41	-42.43
CN(C(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL250004622391	0	34	-1.0	-52.20	280.95	6.07	-46.13
CN(C(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL250004622391	1	34	-1.0	-52.15	281.12	6.05	-46.10
CC(C)COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622392	0	36	-1.0	-50.76	295.04	6.63	-44.13
CC(C)COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622392	1	36	-1.0	-50.70	295.18	6.62	-44.08
CC(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622393	0	35	-1.0	-47.76	282.75	7.58	-40.18
CC(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622393	1	35	-1.0	-47.65	282.88	7.59	-40.06
CN(C(=O)C1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004622394	0	39	-1.0	-47.09	304.03	8.71	-38.38
CN(C(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004622394	1	39	-1.0	-47.18	303.88	8.70	-38.48
CC(C)OCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622395	0	36	-1.0	-48.40	298.96	6.35	-42.05
CC(C)OCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622395	1	36	-1.0	-48.51	298.81	6.35	-42.16
CN(C(=O)CC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004622396	0	33	-1.0	-48.96	275.41	7.87	-41.09
CN(C(=O)CC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004622396	1	33	-1.0	-49.00	275.27	7.91	-41.09
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL250004622397	0	37	-1.0	-50.32	310.17	8.99	-41.33
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL250004622397	1	37	-1.0	-50.22	310.45	8.98	-41.24
CN(C(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004622398	0	27	-1.0	-43.99	247.67	4.70	-39.29
CN(C(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004622398	1	27	-1.0	-44.02	247.53	4.70	-39.32
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622399	0	30	-1.0	-55.22	257.66	3.81	-51.41
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622399	1	30	-1.0	-55.17	257.80	3.82	-51.35
CN(C(=O)CCCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622400	0	36	-1.0	-52.92	304.67	7.61	-45.31
CN(C(=O)CCCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622400	1	36	-1.0	-52.98	304.53	7.65	-45.33
CN(C(=O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL250004622401	0	23	-1.0	-47.72	222.67	5.51	-42.21
CN(C(=O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL250004622401	1	23	-1.0	-47.78	222.52	5.50	-42.28
CN(C(=O)CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622402	0	30	-1.0	-52.20	261.64	6.06	-46.14
CN(C(=O)CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622402	1	30	-1.0	-52.12	261.77	6.02	-46.10
CN(C(=O)CNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622403	0	30	-1.0	-45.10	264.21	3.74	-41.36
CN(C(=O)CNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622403	1	30	-1.0	-45.16	264.08	3.76	-41.40
CN(C(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL250004622404	0	23	-1.0	-44.63	223.05	5.52	-39.11
CN(C(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL250004622404	1	23	-1.0	-44.72	222.92	5.52	-39.20
CCOC(=O)C1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1	REAL250004622405	0	36	-1.0	-49.09	311.91	5.62	-43.47
CCOC(=O)C1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1	REAL250004622405	1	36	-1.0	-48.98	312.05	5.60	-43.38
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004622406	0	37	-1.0	-47.99	301.82	5.68	-42.31
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004622406	1	37	-1.0	-47.91	301.97	5.68	-42.23
CN(C(=O)CN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622407	0	32	-1.0	-55.11	276.36	4.69	-50.42
CN(C(=O)CN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622407	1	32	-1.0	-55.16	276.23	4.72	-50.44
CCC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622408	0	33	-1.0	-50.61	280.48	7.31	-43.30
CCC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622408	1	33	-1.0	-50.72	280.34	7.34	-43.38
CN(C(=O)CN1CCCCCC1=O)C1=N[N-]N=N1	REAL250004622409	0	33	-1.0	-53.25	266.53	5.00	-48.25
CN(C(=O)CN1CCCCCC1=O)C1=NN=N[N-]1	REAL250004622409	1	33	-1.0	-53.35	266.40	5.02	-48.33
CCC1=C(C)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622410	0	29	-1.0	-46.74	252.81	5.91	-40.83
CCC1=C(C)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622410	1	29	-1.0	-46.64	252.95	5.89	-40.75
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622411	0	32	-1.0	-52.78	283.00	3.11	-49.67
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622411	1	32	-1.0	-52.69	283.14	3.11	-49.58
CCN1N=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004622412	0	31	-1.0	-51.90	268.83	4.26	-47.64
CCN1N=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004622412	1	31	-1.0	-51.83	268.96	4.27	-47.56
CC(SC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622413	0	30	-1.0	-47.67	269.55	7.07	-40.60
CC(SC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622413	1	30	-1.0	-47.69	269.41	7.09	-40.60
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004622414	0	33	-1.0	-51.66	282.38	6.18	-45.48
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004622414	1	33	-1.0	-51.60	282.53	6.17	-45.43
CSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004622415	0	27	-1.0	-46.41	253.24	5.43	-40.98
CSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004622415	1	27	-1.0	-46.46	253.09	5.46	-41.00
CN(C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004622416	0	34	-1.0	-47.08	298.39	6.82	-40.26
CN(C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004622416	1	34	-1.0	-47.15	298.24	6.85	-40.30
CN(C(=O)C1=CC=CC=C1NS(C)(=O)=O)C1=NN=N[N-]1	REAL250004622417	1	31	-1.0	-52.43	270.53	1.87	-50.56
CN(C(=O)C1=CC=CC=C1NS(C)(=O)=O)C1=N[N-]N=N1	REAL250004622417	1	31	-1.0	-52.36	270.67	1.85	-50.51
CCC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622418	0	37	-1.0	-45.46	314.38	8.04	-37.42
CCC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622418	1	37	-1.0	-45.57	314.24	8.08	-37.49
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004622419	0	28	-1.0	-51.28	246.93	6.11	-45.17
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004622419	1	28	-1.0	-51.23	247.08	6.11	-45.12
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1C	REAL250004622420	0	34	-1.0	-45.67	280.64	4.35	-41.32
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1C	REAL250004622420	1	34	-1.0	-45.63	280.78	4.35	-41.28
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622421	0	37	-1.0	-48.91	310.01	5.97	-42.94
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622421	1	37	-1.0	-49.00	309.87	6.00	-43.00
CC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622422	0	33	-1.0	-50.08	274.85	6.94	-43.14
CC1=CC=C(OC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622422	1	33	-1.0	-50.14	274.71	6.95	-43.19
CC1=CC=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622423	0	33	-1.0	-33.77	271.93	7.19	-26.58
CC1=CC=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622423	1	33	-1.0	-33.82	271.81	7.21	-26.61
CNC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004622424	0	30	-1.0	-51.90	260.24	4.59	-47.31
CNC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004622424	1	30	-1.0	-51.88	260.38	4.57	-47.31
CC(C)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622425	0	36	-1.0	-47.76	299.07	8.38	-39.38
CC(C)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622425	1	36	-1.0	-47.80	298.92	8.40	-39.40
CN(C(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL250004622426	0	34	-1.0	-51.88	288.69	5.39	-46.49
CN(C(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL250004622426	1	34	-1.0	-51.83	288.84	5.39	-46.44
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622427	0	31	-1.0	-53.32	276.49	0.54	-52.78
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622427	1	31	-1.0	-53.22	276.63	0.53	-52.69
CN(C(=O)CCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004622428	0	29	-1.0	-49.13	262.99	6.66	-42.47
CN(C(=O)CCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004622428	1	29	-1.0	-49.25	262.85	6.68	-42.57
CN(C(=O)CN1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004622429	0	26	-1.0	-57.23	251.08	4.32	-52.91
CN(C(=O)CN1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004622429	1	26	-1.0	-57.11	251.21	4.30	-52.81
CC1=CC=C(C)N1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622430	0	37	-1.0	-45.62	310.07	8.96	-36.66
CC1=CC=C(C)N1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622430	1	37	-1.0	-45.55	310.21	8.96	-36.59
COC1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004622431	0	33	-1.0	-48.50	279.58	6.13	-42.37
COC1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004622431	1	33	-1.0	-48.57	279.44	6.17	-42.40
CN(C(=O)CSCC1=CC=CS1)C1=N[N-]N=N1	REAL250004622432	0	27	-1.0	-49.66	264.52	6.46	-43.20
CN(C(=O)CSCC1=CC=CS1)C1=NN=N[N-]1	REAL250004622432	1	27	-1.0	-49.76	264.38	6.48	-43.28
CN(C(=O)CCSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622433	0	30	-1.0	-45.72	276.46	7.30	-38.42
CN(C(=O)CCSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622433	1	30	-1.0	-45.85	276.32	7.33	-38.52
CC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622434	0	30	-1.0	-47.99	269.79	7.15	-40.84
CC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622434	1	30	-1.0	-48.02	269.65	7.17	-40.85
CC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004622435	0	33	-1.0	-47.77	288.29	7.71	-40.06
CC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004622435	1	33	-1.0	-47.86	288.15	7.73	-40.13
CN(C(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=NN=N[N-]1	REAL250004622436	0	32	-1.0	-67.09	279.64	3.63	-63.46
CN(C(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=N[N-]N=N1	REAL250004622436	1	32	-1.0	-66.99	279.79	3.62	-63.37
CN(C(=O)C1=C(N2C=NN=N2)C=CS1)C1=NN=N[N-]1	REAL250004622437	0	25	-1.0	-63.46	247.11	4.46	-59.00
CN(C(=O)C1=C(N2C=NN=N2)C=CS1)C1=N[N-]N=N1	REAL250004622437	1	25	-1.0	-63.35	247.25	4.47	-58.88
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004622438	0	28	-1.0	-50.95	255.76	-0.15	-51.10
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004622438	1	28	-1.0	-50.86	255.90	-0.14	-51.00
CC(OC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622439	0	31	-1.0	-50.72	274.22	6.66	-44.06
CC(OC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622439	1	31	-1.0	-50.81	274.08	6.66	-44.15
CC(OC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622440	0	30	-1.0	-48.75	259.85	6.31	-42.44
CC(OC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622440	1	30	-1.0	-48.82	259.71	6.34	-42.48
CN(C(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004622441	0	38	-1.0	-46.12	317.05	8.52	-37.60
CN(C(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004622441	1	38	-1.0	-46.18	316.92	8.54	-37.64
CN(C(=O)C1=CC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004622442	0	27	-1.0	-48.46	239.20	3.35	-45.11
CN(C(=O)C1=CC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004622442	1	27	-1.0	-48.41	239.33	3.36	-45.05
CN(C(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004622443	0	30	-1.0	-47.16	277.61	7.47	-39.69
CN(C(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004622443	1	30	-1.0	-47.30	277.46	7.47	-39.83
CCC1(CC)NC(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004622444	0	37	-1.0	-54.91	306.91	3.79	-51.12
CCC1(CC)NC(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004622444	1	37	-1.0	-54.94	306.78	3.82	-51.12
CCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=C1O	REAL250004622445	0	31	-1.0	-43.85	281.21	3.54	-40.31
CCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=C1O	REAL250004622445	1	31	-1.0	-43.92	281.08	3.54	-40.38
CC1=CC=CC(C(=O)NC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622446	0	36	-1.0	-38.99	300.35	5.18	-33.81
CC1=CC=CC(C(=O)NC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622446	1	36	-1.0	-39.00	300.16	5.19	-33.81
CC1=CC=C(C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622447	0	36	-1.0	-46.80	301.21	7.02	-39.78
CC1=CC=C(C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622447	1	36	-1.0	-46.92	301.08	7.05	-39.87
COC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622448	0	34	-1.0	-46.66	289.23	4.89	-41.77
COC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622448	1	34	-1.0	-46.68	289.09	4.91	-41.77
CC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004622449	0	33	-1.0	-46.62	279.80	6.36	-40.26
CC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004622449	1	33	-1.0	-46.68	279.67	6.38	-40.30
CN(C(=O)COC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004622450	0	27	-1.0	-55.77	245.01	5.92	-49.85
CN(C(=O)COC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004622450	1	27	-1.0	-55.84	244.87	5.95	-49.89
CN(C(=O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622451	0	32	-1.0	-49.93	275.84	8.26	-41.67
CN(C(=O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622451	1	32	-1.0	-49.87	275.98	8.23	-41.64
CN(C(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004622452	0	27	-1.0	-46.67	261.49	7.03	-39.64
CN(C(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004622452	1	27	-1.0	-46.81	261.35	7.05	-39.76
CC(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622453	0	30	-1.0	-33.43	267.25	7.03	-26.40
CC(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622453	1	30	-1.0	-33.46	267.14	7.05	-26.41
CN(C(=O)C=CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004622454	0	28	-1.0	-49.56	259.52	6.89	-42.67
CN(C(=O)C=CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004622454	1	28	-1.0	-49.44	259.67	6.87	-42.57
CN(C(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004622455	0	27	-1.0	-48.39	269.74	7.38	-41.01
CN(C(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004622455	1	27	-1.0	-48.40	269.59	7.38	-41.02
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C(C)C	REAL250004622456	0	36	-1.0	-51.20	276.72	6.72	-44.48
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C(C)C	REAL250004622456	1	36	-1.0	-51.12	276.87	6.72	-44.40
CN(C(=O)C1CCN(C(N)=O)CC1)C1=N[N-]N=N1	REAL250004622457	0	32	-1.0	-37.35	253.89	1.83	-35.52
CN(C(=O)C1CCN(C(N)=O)CC1)C1=NN=N[N-]1	REAL250004622457	1	32	-1.0	-37.46	253.76	1.84	-35.62
CCOC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004622458	0	37	-1.0	-51.99	295.81	4.84	-47.15
CCOC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004622458	1	37	-1.0	-52.03	295.68	4.86	-47.17
CC(C)C1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622459	0	36	-1.0	-51.09	297.39	7.82	-43.27
CC(C)C1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622459	1	36	-1.0	-51.13	297.26	7.85	-43.28
CN(C(=O)C=CC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004622460	0	29	-1.0	-47.47	273.85	6.20	-41.27
CN(C(=O)C=CC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004622460	1	29	-1.0	-47.53	273.70	6.21	-41.32
CN(C(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622461	0	32	-1.0	-49.43	282.56	7.12	-42.31
CN(C(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622461	1	32	-1.0	-49.42	282.70	7.10	-42.32
CC1=CC=CC(C)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622462	0	33	-1.0	-49.67	280.54	7.32	-42.35
CC1=CC=CC(C)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622462	1	33	-1.0	-49.68	280.40	7.34	-42.34
CN(C(=O)CCNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL250004622463	0	30	-1.0	-55.53	270.57	2.43	-53.10
CN(C(=O)CCNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL250004622463	1	30	-1.0	-55.63	270.44	2.46	-53.17
CN(C(=O)COC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004622464	0	28	-1.0	-51.69	259.60	6.26	-45.43
CN(C(=O)COC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004622464	1	28	-1.0	-51.79	259.46	6.28	-45.51
CN(C(=O)CCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004622465	0	29	-1.0	-47.05	263.83	7.13	-39.92
CN(C(=O)CCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004622465	1	29	-1.0	-47.11	263.70	7.16	-39.95
CN(C(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004622466	0	32	-1.0	-60.89	287.26	3.12	-57.77
CN(C(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004622466	1	32	-1.0	-60.94	287.11	3.11	-57.83
CN(C(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL250004622467	0	28	-1.0	-61.50	251.25	5.07	-56.43
CN(C(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL250004622467	1	28	-1.0	-61.43	251.39	5.09	-56.34
COC1=CC(C=O)=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622468	0	33	-1.0	-60.45	291.18	5.34	-55.11
COC1=CC(C=O)=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622468	1	33	-1.0	-60.51	291.04	5.37	-55.14
CN(C(=O)CSCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622469	0	30	-1.0	-49.95	291.02	7.88	-42.07
CN(C(=O)CSCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622469	1	30	-1.0	-50.03	290.88	7.90	-42.13
CN(C(=O)CSCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622470	0	30	-1.0	-49.55	291.02	7.89	-41.66
CN(C(=O)CSCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622470	1	30	-1.0	-49.67	290.89	7.92	-41.75
CC1=CC(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004622471	0	34	-1.0	-45.29	302.90	7.21	-38.08
CC1=CC(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004622471	1	34	-1.0	-45.39	302.76	7.24	-38.15
CN(C(=O)CN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622472	0	29	-1.0	-56.25	263.19	5.84	-50.41
CN(C(=O)CN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622472	1	29	-1.0	-56.13	263.33	5.81	-50.32
CN(C(=O)COC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622473	0	27	-1.0	-49.86	245.19	5.92	-43.94
CN(C(=O)COC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622473	1	27	-1.0	-49.92	245.06	5.94	-43.98
CN(C(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622474	0	30	-1.0	-44.03	280.94	4.25	-39.78
CN(C(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622474	1	30	-1.0	-44.09	280.81	4.27	-39.82
CC(SC1=CC=C(Cl)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622475	0	30	-1.0	-45.92	280.94	7.34	-38.58
CC(SC1=CC=C(Cl)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622475	1	30	-1.0	-46.04	280.81	7.37	-38.67
CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL250004622476	0	35	-1.0	-53.70	295.99	3.00	-50.70
CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL250004622476	1	35	-1.0	-53.79	295.85	3.03	-50.76
CN(C(=O)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622477	0	27	-1.0	-47.09	254.79	6.54	-40.55
CN(C(=O)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622477	1	27	-1.0	-47.17	254.65	6.56	-40.61
CN(C(=O)C1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004622478	0	22	-1.0	-40.98	222.32	4.67	-36.31
CN(C(=O)C1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004622478	1	22	-1.0	-41.07	222.17	4.67	-36.40
CN(C(=O)C1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622479	0	29	-1.0	-35.66	246.67	5.20	-30.46
CN(C(=O)C1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622479	1	29	-1.0	-35.70	246.53	5.21	-30.49
CCOC1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622480	0	34	-1.0	-55.76	289.88	6.53	-49.23
CCOC1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622480	1	34	-1.0	-55.81	289.75	6.55	-49.26
CCC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622481	0	33	-1.0	-50.42	281.67	7.29	-43.13
CCC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622481	1	33	-1.0	-50.53	281.53	7.32	-43.21
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004622482	0	30	-1.0	-49.52	274.23	6.96	-42.56
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004622482	1	30	-1.0	-49.60	274.09	6.98	-42.62
CN(C(=O)COC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004622483	0	28	-1.0	-60.64	259.00	6.25	-54.39
CN(C(=O)COC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004622483	1	28	-1.0	-60.72	258.87	6.28	-54.44
CNS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622484	0	31	-1.0	-54.43	279.57	1.08	-53.35
CNS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622484	1	31	-1.0	-54.33	279.70	1.10	-53.23
CN(C(=O)C(CC1=CC=CC=C1)NC(N)=O)C1=NN=N[N-]1	REAL250004622485	0	35	-1.0	-57.12	290.46	3.13	-53.99
CN(C(=O)C(CC1=CC=CC=C1)NC(N)=O)C1=N[N-]N=N1	REAL250004622485	1	35	-1.0	-57.09	290.60	3.11	-53.98
CN(C(=O)COC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622486	0	27	-1.0	-51.52	255.52	6.37	-45.15
CN(C(=O)COC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622486	1	27	-1.0	-51.61	255.38	6.39	-45.22
CN(C(=O)CCC1NC(=O)NC1=O)C1=N[N-]N=N1	REAL250004622487	0	28	-1.0	-55.08	249.21	-0.79	-55.87
CN(C(=O)CCC1NC(=O)NC1=O)C1=NN=N[N-]1	REAL250004622487	1	28	-1.0	-55.15	249.07	-0.75	-55.90
CC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004622488	0	33	-1.0	-54.54	260.43	4.01	-50.53
CC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004622488	1	33	-1.0	-54.62	260.29	4.04	-50.58
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004622489	0	32	-1.0	-51.78	279.03	7.04	-44.74
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004622489	1	32	-1.0	-51.69	279.16	7.00	-44.69
CCC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004622490	0	35	-1.0	-51.54	300.65	7.77	-43.77
CCC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004622490	1	35	-1.0	-51.61	300.51	7.80	-43.81
CN(C(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=N[N-]N=N1	REAL250004622491	0	36	-1.0	-52.66	303.33	8.23	-44.43
CN(C(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NN=N[N-]1	REAL250004622491	1	36	-1.0	-52.81	303.19	8.27	-44.54
CC(=O)C1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622492	0	32	-1.0	-60.37	279.28	6.24	-54.13
CC(=O)C1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622492	1	32	-1.0	-60.49	279.14	6.27	-54.22
CN(C(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004622493	0	29	-1.0	-51.57	266.98	6.52	-45.05
CN(C(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004622493	1	29	-1.0	-51.65	266.85	6.55	-45.10
CC(NC(=O)NC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622494	0	35	-1.0	-38.88	292.80	3.74	-35.14
CC(NC(=O)NC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622494	1	35	-1.0	-38.99	292.66	3.75	-35.24
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1C	REAL250004622495	0	35	-1.0	-52.33	296.10	7.54	-44.79
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1C	REAL250004622495	1	35	-1.0	-52.43	295.97	7.57	-44.86
CN(C(=O)C=CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004622496	0	33	-1.0	-50.86	283.40	5.63	-45.23
CN(C(=O)C=CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004622496	1	33	-1.0	-50.93	283.25	5.64	-45.29
CSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004622497	0	29	-1.0	-51.94	265.69	6.44	-45.50
CSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004622497	1	29	-1.0	-51.91	265.84	6.43	-45.48
CN(C(=O)C1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004622498	0	28	-1.0	-60.00	244.87	5.55	-54.45
CN(C(=O)C1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004622498	1	28	-1.0	-59.89	245.00	5.53	-54.36
CC1=CN2C(=O)C(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004622499	0	31	-1.0	-63.09	275.59	5.64	-57.45
CC1=CN2C(=O)C(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004622499	1	31	-1.0	-63.06	275.73	5.64	-57.42
CC1=CC=C(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622500	0	30	-1.0	-44.93	278.15	3.53	-41.40
CC1=CC=C(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622500	1	30	-1.0	-45.03	278.02	3.56	-41.47
CN(C(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL250004622501	0	30	-1.0	-48.63	274.41	7.31	-41.32
CN(C(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL250004622501	1	30	-1.0	-48.54	274.55	7.29	-41.25
CN(C(=O)C1=CN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622502	0	30	-1.0	-48.06	258.87	7.36	-40.70
CN(C(=O)C1=CN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622502	1	30	-1.0	-47.97	259.02	7.35	-40.62
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL250004622503	0	31	-1.0	-54.60	272.18	1.83	-52.77
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL250004622503	1	31	-1.0	-54.65	272.04	1.85	-52.80
COC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622504	0	37	-1.0	-52.06	310.72	5.64	-46.42
COC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622504	1	37	-1.0	-52.12	310.59	5.68	-46.44
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622505	0	36	-1.0	-51.27	302.64	7.04	-44.23
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622505	1	36	-1.0	-51.31	302.50	7.07	-44.24
CC1=CC=CC(OCCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622506	0	36	-1.0	-51.46	302.64	7.05	-44.41
CC1=CC=CC(OCCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622506	1	36	-1.0	-51.56	302.50	7.07	-44.49
CC(NC(=O)C1=CC=CO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622507	0	30	-1.0	-46.41	263.08	2.32	-44.09
CC(NC(=O)C1=CC=CO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622507	1	30	-1.0	-46.45	262.95	2.35	-44.10
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL250004622508	0	34	-1.0	-43.43	291.43	6.24	-37.19
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL250004622508	1	34	-1.0	-43.51	291.29	6.26	-37.25
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL250004622509	0	40	-1.0	-47.71	284.80	7.88	-39.83
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL250004622509	1	40	-1.0	-47.77	284.67	7.90	-39.87
CN(C(=O)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004622510	0	26	-1.0	-48.03	243.71	6.38	-41.65
CN(C(=O)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004622510	1	26	-1.0	-48.05	243.58	6.41	-41.64
CCC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622511	0	33	-1.0	-50.96	281.68	7.29	-43.67
CCC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622511	1	33	-1.0	-51.05	281.54	7.32	-43.73
CN(C(=O)CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004622512	0	32	-1.0	-51.62	274.37	5.13	-46.49
CN(C(=O)CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004622512	1	32	-1.0	-51.71	274.24	5.16	-46.55
CC1=CC(C)=C(OCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004622513	0	36	-1.0	-49.47	301.99	7.98	-41.49
CC1=CC(C)=C(OCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004622513	1	36	-1.0	-49.54	301.86	8.00	-41.54
COC1=CC=CC=C1C(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004622514	0	34	-1.0	-48.22	291.53	4.30	-43.92
COC1=CC=CC=C1C(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004622514	1	34	-1.0	-48.30	291.40	4.32	-43.98
CN(C(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622515	0	31	-1.0	-51.56	283.96	1.64	-49.92
CN(C(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622515	1	31	-1.0	-51.64	283.82	1.67	-49.97
CN(C(=O)CNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622516	0	33	-1.0	-45.31	288.83	4.42	-40.89
CN(C(=O)CNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622516	1	33	-1.0	-45.39	288.69	4.45	-40.94
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622517	0	33	-1.0	-50.18	293.66	7.15	-43.03
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622517	1	33	-1.0	-50.26	293.52	7.15	-43.11
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1C(C)C	REAL250004622518	0	39	-1.0	-50.67	316.41	8.31	-42.36
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1C(C)C	REAL250004622518	1	39	-1.0	-50.72	316.27	8.33	-42.39
CN(C(=O)COC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622519	0	33	-1.0	-53.22	283.82	8.16	-45.06
CN(C(=O)COC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622519	1	33	-1.0	-53.31	283.68	8.18	-45.13
CN(C(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004622520	0	31	-1.0	-51.78	274.87	1.61	-50.17
CN(C(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004622520	1	31	-1.0	-51.70	275.01	1.61	-50.09
CN(C(=O)CCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622521	0	31	-1.0	-45.79	271.49	6.60	-39.19
CN(C(=O)CCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622521	1	31	-1.0	-45.86	271.36	6.63	-39.23
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1OC	REAL250004622522	0	35	-1.0	-51.88	294.89	5.12	-46.76
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1OC	REAL250004622522	1	35	-1.0	-51.84	295.04	5.11	-46.73
CC(C)CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622523	0	39	-1.0	-47.04	313.60	7.24	-39.80
CC(C)CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622523	1	39	-1.0	-47.10	313.46	7.25	-39.85
CC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622524	0	33	-1.0	-47.06	272.13	5.82	-41.24
CC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622524	1	33	-1.0	-47.01	272.27	5.82	-41.19
CN(C(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL250004622525	0	20	-1.0	-42.60	214.10	4.57	-38.03
CN(C(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL250004622525	1	20	-1.0	-42.72	213.96	4.56	-38.16
CC1=CC=C(C)C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622526	0	37	-1.0	-45.49	308.81	7.96	-37.53
CC1=CC=C(C)C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622526	1	37	-1.0	-45.54	308.67	7.98	-37.56
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004622527	0	31	-1.0	-47.72	271.54	4.40	-43.32
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004622527	1	31	-1.0	-47.75	271.40	4.41	-43.34
CN(C(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004622528	0	28	-1.0	-55.80	255.38	-0.16	-55.96
CN(C(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004622528	1	28	-1.0	-55.74	255.52	-0.16	-55.90
CN(C(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004622529	0	34	-1.0	-54.50	295.76	4.79	-49.71
CN(C(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004622529	1	34	-1.0	-54.63	295.62	4.82	-49.81
CN(C(=O)C=CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004622530	0	31	-1.0	-51.89	277.04	6.11	-45.78
CN(C(=O)C=CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004622530	1	31	-1.0	-51.96	276.89	6.11	-45.85
CN(C(=O)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004622531	0	26	-1.0	-46.54	260.83	6.90	-39.64
CN(C(=O)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004622531	1	26	-1.0	-46.63	260.69	6.93	-39.70
CN(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004622532	0	30	-1.0	-56.71	275.08	5.11	-51.60
CN(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004622532	1	30	-1.0	-56.79	274.94	5.14	-51.65
CN(C(=O)CCC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622533	0	31	-1.0	-44.72	277.88	6.67	-38.05
CN(C(=O)CCC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622533	1	31	-1.0	-44.83	277.75	6.70	-38.13
CN(C(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622534	0	29	-1.0	-48.93	249.21	7.19	-41.74
CN(C(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622534	1	29	-1.0	-48.90	249.33	7.19	-41.71
CN(C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004622535	0	34	-1.0	-51.07	290.46	7.75	-43.32
CN(C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004622535	1	34	-1.0	-51.03	290.59	7.74	-43.29
CN(C(=O)CCC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004622536	0	28	-1.0	-45.79	262.37	5.70	-40.09
CN(C(=O)CCC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004622536	1	28	-1.0	-45.90	262.23	5.72	-40.18
CN(C(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004622537	0	27	-1.0	-52.40	243.56	3.69	-48.71
CN(C(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004622537	1	27	-1.0	-52.30	243.70	3.67	-48.63
CN(C(=O)C1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622538	0	28	-1.0	-49.21	245.55	6.35	-42.86
CN(C(=O)C1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622538	1	28	-1.0	-49.17	245.68	6.33	-42.84
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004622539	0	35	-1.0	-47.35	278.21	7.23	-40.12
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004622539	1	35	-1.0	-47.28	278.35	7.23	-40.05
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004622540	0	34	-1.0	-46.55	290.63	7.77	-38.78
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004622540	1	34	-1.0	-46.50	290.77	7.76	-38.74
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004622541	0	26	-1.0	-48.56	240.93	5.90	-42.66
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004622541	1	26	-1.0	-48.64	240.79	5.90	-42.74
CN(C(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622542	0	25	-1.0	-54.02	248.30	7.01	-47.01
CN(C(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622542	1	25	-1.0	-53.97	248.43	7.01	-46.96
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004622543	0	29	-1.0	-49.05	267.09	7.13	-41.92
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004622543	1	29	-1.0	-49.14	266.95	7.15	-41.99
CN(C(=O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004622544	0	23	-1.0	-45.53	235.99	5.94	-39.59
CN(C(=O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004622544	1	23	-1.0	-45.59	235.85	5.94	-39.65
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622545	0	34	-1.0	-51.38	288.61	5.16	-46.22
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622545	1	34	-1.0	-51.51	288.48	5.20	-46.31
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622546	0	31	-1.0	-48.79	261.65	4.14	-44.65
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622546	1	31	-1.0	-48.69	261.78	4.13	-44.56
CSC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622547	0	27	-1.0	-48.12	254.34	6.42	-41.70
CSC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622547	1	27	-1.0	-48.02	254.48	6.42	-41.60
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004622548	0	26	-1.0	-46.75	257.97	6.81	-39.94
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004622548	1	26	-1.0	-46.78	257.83	6.85	-39.93
CN(C(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004622549	0	29	-1.0	-48.24	268.59	6.96	-41.28
CN(C(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004622549	1	29	-1.0	-48.31	268.46	6.99	-41.32
CC1=CC(Cl)=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622550	0	30	-1.0	-49.21	275.58	7.08	-42.13
CC1=CC(Cl)=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622550	1	30	-1.0	-49.27	275.45	7.10	-42.17
CN(C(=O)C=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622551	0	27	-1.0	-48.24	255.65	6.98	-41.26
CN(C(=O)C=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622551	1	27	-1.0	-48.34	255.51	7.00	-41.34
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004622552	0	35	-1.0	-52.80	295.98	5.14	-47.66
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004622552	1	35	-1.0	-52.91	295.83	5.14	-47.77
COC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622553	0	31	-1.0	-50.12	268.26	5.79	-44.33
COC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622553	1	31	-1.0	-49.98	268.40	5.76	-44.22
CN(C(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622554	0	29	-1.0	-59.48	261.94	6.96	-52.52
CN(C(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622554	1	29	-1.0	-59.56	261.79	6.97	-52.59
CN(C(=O)C1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004622555	0	27	-1.0	-49.45	241.34	4.49	-44.96
CN(C(=O)C1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004622555	1	27	-1.0	-49.39	241.48	4.50	-44.89
CN(C(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004622556	0	36	-1.0	-49.73	304.08	9.38	-40.35
CN(C(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004622556	1	36	-1.0	-49.82	303.94	9.42	-40.40
COC1=CC=CC=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004622557	0	31	-1.0	-52.32	267.13	5.84	-46.48
COC1=CC=CC=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004622557	1	31	-1.0	-52.21	267.28	5.84	-46.37
CN(C(=O)CSC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622558	0	33	-1.0	-49.54	294.47	8.74	-40.80
CN(C(=O)CSC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622558	1	33	-1.0	-49.56	294.34	8.76	-40.80
CN(C(=O)CC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622559	0	32	-1.0	-50.00	272.40	8.13	-41.87
CN(C(=O)CC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622559	1	32	-1.0	-49.88	272.54	8.09	-41.79
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004622560	0	36	-1.0	-50.13	301.28	7.09	-43.04
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004622560	1	36	-1.0	-50.09	301.42	7.10	-42.99
CN(C(=O)CCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622561	0	33	-1.0	-51.25	281.24	6.36	-44.89
CN(C(=O)CCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622561	1	33	-1.0	-51.30	281.10	6.40	-44.90
CN(C(=O)C1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL250004622562	0	25	-1.0	-47.32	234.10	4.33	-42.99
CN(C(=O)C1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL250004622562	1	25	-1.0	-47.30	234.24	4.31	-42.99
CC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004622563	0	32	-1.0	-50.74	272.40	5.15	-45.59
CC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004622563	1	32	-1.0	-50.63	272.55	5.15	-45.48
CN(C(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL250004622564	0	20	-1.0	-41.83	208.30	4.12	-37.71
CN(C(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL250004622564	1	20	-1.0	-41.94	208.15	4.14	-37.80
CCCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622565	0	39	-1.0	-47.11	317.53	7.50	-39.61
CCCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622565	1	39	-1.0	-47.17	317.39	7.51	-39.66
CN(C(=O)C1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL250004622566	0	22	-1.0	-42.69	219.06	3.78	-38.91
CN(C(=O)C1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL250004622566	1	22	-1.0	-42.61	219.20	3.76	-38.85
CN(C(=O)CC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004622567	0	26	-1.0	-47.98	249.24	6.42	-41.56
CN(C(=O)CC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004622567	1	26	-1.0	-48.06	249.10	6.46	-41.60
CN(C(=O)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004622568	0	23	-1.0	-49.35	229.51	5.86	-43.49
CN(C(=O)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004622568	1	23	-1.0	-49.50	229.36	5.85	-43.65
CN(C(=O)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004622569	0	23	-1.0	-45.71	231.06	5.92	-39.79
CN(C(=O)C1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004622569	1	23	-1.0	-45.76	230.92	5.92	-39.84
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622570	0	23	-1.0	-42.63	236.90	5.94	-36.69
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622570	1	23	-1.0	-42.66	236.76	5.94	-36.72
CN(C(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL250004622571	0	26	-1.0	-47.33	261.79	6.93	-40.40
CN(C(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL250004622571	1	26	-1.0	-47.39	261.65	6.97	-40.42
CCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622572	0	37	-1.0	-49.47	296.54	7.21	-42.26
CCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622572	1	37	-1.0	-49.33	296.68	7.20	-42.13
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004622573	0	31	-1.0	-53.73	266.44	4.77	-48.96
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004622573	1	31	-1.0	-53.66	266.57	4.76	-48.90
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004622574	0	31	-1.0	-52.19	262.66	4.13	-48.06
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004622574	1	31	-1.0	-52.17	262.80	4.11	-48.06
COC1=CC(OC)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622575	0	31	-1.0	-48.99	262.27	3.54	-45.45
COC1=CC(OC)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622575	1	31	-1.0	-48.93	262.40	3.53	-45.40
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004622576	0	33	-1.0	-48.51	276.24	8.32	-40.19
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004622576	1	33	-1.0	-48.44	276.38	8.32	-40.12
CN(C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622577	0	36	-1.0	-49.45	297.88	8.98	-40.47
CN(C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622577	1	36	-1.0	-49.35	298.01	8.95	-40.40
CN(C(=O)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622578	0	26	-1.0	-47.03	246.59	6.49	-40.54
CN(C(=O)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622578	1	26	-1.0	-47.11	246.45	6.52	-40.59
CN(C(=O)COC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622579	0	27	-1.0	-49.39	255.51	6.37	-43.02
CN(C(=O)COC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622579	1	27	-1.0	-49.44	255.38	6.39	-43.05
CN(C(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622580	0	31	-1.0	-44.48	288.21	7.12	-37.36
CN(C(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622580	1	31	-1.0	-44.60	288.07	7.15	-37.45
CN(C(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622581	0	31	-1.0	-44.19	266.92	5.05	-39.14
CN(C(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622581	1	31	-1.0	-44.15	267.06	5.04	-39.11
CN(C(=O)CNC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622582	0	34	-1.0	-46.98	297.76	4.31	-42.67
CN(C(=O)CNC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622582	1	34	-1.0	-47.03	297.62	4.33	-42.70
CC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622583	0	34	-1.0	-45.75	292.89	7.28	-38.47
CC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622583	1	34	-1.0	-45.83	292.75	7.31	-38.52
CN(C(=O)CCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622584	0	33	-1.0	-49.36	283.17	6.83	-42.53
CN(C(=O)CCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622584	1	33	-1.0	-49.46	283.04	6.86	-42.60
CC1=CC(C)=NC(SCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004622585	0	31	-1.0	-50.14	284.09	5.25	-44.89
CC1=CC(C)=NC(SCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004622585	1	31	-1.0	-50.19	283.95	5.27	-44.92
CC1=CC=C(C)C(SCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622586	0	33	-1.0	-47.66	288.29	7.71	-39.95
CC1=CC=C(C)C(SCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622586	1	33	-1.0	-47.72	288.15	7.73	-39.99
CN(C(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622587	0	29	-1.0	-65.09	264.80	7.01	-58.08
CN(C(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622587	1	29	-1.0	-65.19	264.67	7.03	-58.16
CN(C(=O)CSC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL250004622588	0	34	-1.0	-48.50	293.92	8.38	-40.12
CN(C(=O)CSC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL250004622588	1	34	-1.0	-48.52	293.79	8.40	-40.12
CN(C(=O)COC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004622589	0	27	-1.0	-52.14	261.22	6.45	-45.69
CN(C(=O)COC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004622589	1	27	-1.0	-52.22	261.08	6.47	-45.75
CN(C(=O)CCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004622590	0	30	-1.0	-57.39	277.68	3.32	-54.07
CN(C(=O)CCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004622590	1	30	-1.0	-57.51	277.55	3.36	-54.15
CN(C(=O)CCCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL250004622591	0	33	-1.0	-50.85	299.18	4.13	-46.72
CN(C(=O)CCCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL250004622591	1	33	-1.0	-50.93	299.05	4.16	-46.77
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)C1=CC=CC=C1	REAL250004622592	0	36	-1.0	-56.19	305.70	5.56	-50.63
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)C1=CC=CC=C1	REAL250004622592	1	36	-1.0	-56.30	305.56	5.59	-50.71
CN(C(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL250004622593	0	32	-1.0	-49.49	264.94	4.86	-44.63
CN(C(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL250004622593	1	32	-1.0	-49.39	265.08	4.86	-44.53
CN(C(=O)CCCN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL250004622594	0	31	-1.0	-57.24	272.76	1.70	-55.54
CN(C(=O)CCCN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL250004622594	1	31	-1.0	-57.35	272.62	1.73	-55.62
COC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622595	0	31	-1.0	-48.46	277.86	5.76	-42.70
COC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622595	1	31	-1.0	-48.55	277.72	5.79	-42.76
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004622596	0	27	-1.0	-45.82	237.74	4.29	-41.53
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004622596	1	27	-1.0	-45.72	237.88	4.29	-41.43
CN(C(=O)C=CC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622597	0	29	-1.0	-49.34	264.17	3.56	-45.78
CN(C(=O)C=CC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622597	1	29	-1.0	-49.39	264.03	3.56	-45.83
CN(C(=O)C1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004622598	0	29	-1.0	-49.50	253.75	2.17	-47.33
CN(C(=O)C1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004622598	1	29	-1.0	-49.42	253.89	2.17	-47.25
CC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622599	0	31	-1.0	-45.85	284.17	6.50	-39.35
CC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622599	1	31	-1.0	-45.88	284.03	6.54	-39.34
CN(C(=O)C1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004622600	0	26	-1.0	-44.17	245.91	4.11	-40.06
CN(C(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004622600	1	26	-1.0	-44.25	245.79	4.11	-40.14
CC1=CC=C(NC(=O)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622601	0	30	-1.0	-40.42	261.34	4.29	-36.13
CC1=CC=C(NC(=O)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622601	1	30	-1.0	-40.37	261.47	4.29	-36.08
CCOC1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622602	0	34	-1.0	-48.45	299.71	6.69	-41.76
CCOC1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622602	1	34	-1.0	-48.51	299.58	6.71	-41.80
CN(C(=O)CCC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622603	0	31	-1.0	-49.24	273.60	3.75	-45.49
CN(C(=O)CCC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622603	1	31	-1.0	-49.31	273.46	3.78	-45.53
CN(C(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004622604	0	29	-1.0	-46.36	263.57	4.63	-41.73
CN(C(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004622604	1	29	-1.0	-46.43	263.43	4.62	-41.81
CN(C(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004622605	0	34	-1.0	-51.61	294.73	8.85	-42.76
CN(C(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004622605	1	34	-1.0	-51.71	294.58	8.86	-42.85
CN(C(=O)CCC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004622606	0	34	-1.0	-49.04	291.73	7.14	-41.90
CN(C(=O)CCC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004622606	1	34	-1.0	-49.15	291.59	7.17	-41.98
CN(C(=O)C1=CC=C2NC(=O)COC2=C1)C1=NN=N[N-]1	REAL250004622607	0	29	-1.0	-49.88	253.70	2.18	-47.70
CN(C(=O)C1=CC=C2NC(=O)COC2=C1)C1=N[N-]N=N1	REAL250004622607	1	29	-1.0	-49.83	253.84	2.18	-47.65
CN(C(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004622608	0	30	-1.0	-48.49	261.30	6.13	-42.36
CN(C(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004622608	1	30	-1.0	-48.39	261.44	6.13	-42.26
CN(C(=O)C1=CC2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL250004622609	0	26	-1.0	-44.07	245.46	6.30	-37.77
CN(C(=O)C1=CC2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL250004622609	1	26	-1.0	-44.01	245.61	6.29	-37.72
CCC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622610	0	33	-1.0	-47.98	281.66	7.92	-40.06
CCC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622610	1	33	-1.0	-47.91	281.81	7.91	-40.00
CN(C(=O)CCCN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL250004622611	0	34	-1.0	-57.53	295.17	4.10	-53.43
CN(C(=O)CCCN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL250004622611	1	34	-1.0	-57.58	295.03	4.12	-53.46
CN(C(=O)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622612	0	30	-1.0	-57.10	254.84	6.62	-50.48
CN(C(=O)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622612	1	30	-1.0	-56.99	254.98	6.61	-50.38
CN(C(=O)CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004622613	0	30	-1.0	-51.05	269.12	5.55	-45.50
CN(C(=O)CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004622613	1	30	-1.0	-51.13	268.99	5.58	-45.55
CN(C(=O)C1=C2NC3=C(CCCC3)C2=CC=C1)C1=NN=N[N-]1	REAL250004622614	0	37	-1.0	-49.71	296.01	7.46	-42.25
CN(C(=O)C1=C2NC3=C(CCCC3)C2=CC=C1)C1=N[N-]N=N1	REAL250004622614	1	37	-1.0	-49.68	296.16	7.46	-42.22
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC2=C1OCCO2	REAL250004622615	0	33	-1.0	-47.64	276.65	3.94	-43.70
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC2=C1OCCO2	REAL250004622615	1	33	-1.0	-47.60	276.78	3.93	-43.67
CN(C(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL250004622616	0	31	-1.0	-50.79	262.09	7.66	-43.13
CN(C(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL250004622616	1	31	-1.0	-50.68	262.23	7.67	-43.01
CN(C(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004622617	0	32	-1.0	-61.15	286.40	3.09	-58.06
CN(C(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004622617	1	32	-1.0	-61.23	286.25	3.08	-58.15
CN(C(=O)C1=CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004622618	0	26	-1.0	-46.59	239.23	6.25	-40.34
CN(C(=O)C1=CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004622618	1	26	-1.0	-46.53	239.37	6.24	-40.29
CC(=O)NC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622619	0	33	-1.0	-53.88	286.23	4.85	-49.03
CC(=O)NC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622619	1	33	-1.0	-53.96	286.10	4.88	-49.08
CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622620	0	33	-1.0	-51.15	283.51	3.92	-47.23
CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622620	1	33	-1.0	-51.07	283.66	3.92	-47.15
CN(C(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL250004622621	0	30	-1.0	-47.97	268.17	7.31	-40.66
CN(C(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL250004622621	1	30	-1.0	-47.93	268.31	7.31	-40.62
CN(C(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL250004622622	0	28	-1.0	-50.09	251.17	5.11	-44.98
CN(C(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL250004622622	1	28	-1.0	-50.03	251.31	5.11	-44.92
CCOC1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004622623	0	36	-1.0	-48.52	301.43	7.07	-41.45
CCOC1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004622623	1	36	-1.0	-48.56	301.30	7.09	-41.47
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004622624	0	27	-1.0	-50.39	239.84	4.32	-46.07
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004622624	1	27	-1.0	-50.30	239.98	4.30	-46.00
CC1=CSC(=O)N1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004622625	0	29	-1.0	-50.19	263.71	4.47	-45.72
CC1=CSC(=O)N1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004622625	1	29	-1.0	-50.26	263.58	4.51	-45.75
CC(C)C1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622626	0	36	-1.0	-50.24	298.98	7.78	-42.46
CC(C)C1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622626	1	36	-1.0	-50.37	298.84	7.80	-42.57
CN(C(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL250004622627	0	34	-1.0	-61.95	290.45	5.41	-56.54
CN(C(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL250004622627	1	34	-1.0	-61.90	290.59	5.41	-56.49
CN(C(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004622628	0	41	-1.0	-46.05	327.46	9.11	-36.94
CN(C(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004622628	1	41	-1.0	-46.16	327.33	9.13	-37.03
COC1=CC=C(C)C=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004622629	0	34	-1.0	-51.87	288.52	6.51	-45.36
COC1=CC=C(C)C=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004622629	1	34	-1.0	-51.80	288.67	6.50	-45.30
CN(C(=O)CN1C=CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004622630	0	29	-1.0	-56.18	257.87	3.94	-52.24
CN(C(=O)CN1C=CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004622630	1	29	-1.0	-56.26	257.74	3.96	-52.30
CN(C(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL250004622631	0	34	-1.0	-64.68	281.32	6.04	-58.64
CN(C(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL250004622631	1	34	-1.0	-64.59	281.47	6.05	-58.54
CN(C(=O)CSC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004622632	0	27	-1.0	-46.38	261.07	6.59	-39.79
CN(C(=O)CSC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004622632	1	27	-1.0	-46.45	260.94	6.62	-39.83
CN(C(=O)C1=CC=CC(NC(N)=O)=C1)C1=NN=N[N-]1	REAL250004622633	0	29	-1.0	-63.32	250.73	0.99	-62.33
CN(C(=O)C1=CC=CC(NC(N)=O)=C1)C1=N[N-]N=N1	REAL250004622633	1	29	-1.0	-63.26	250.87	1.00	-62.26
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004622634	0	35	-1.0	-47.28	300.34	8.08	-39.20
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004622634	1	35	-1.0	-47.35	300.21	8.11	-39.24
CN(C(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004622635	0	33	-1.0	-48.32	265.65	7.41	-40.91
CN(C(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004622635	1	33	-1.0	-48.27	265.79	7.42	-40.85
CN(C(=O)C1=CC=C(CNC(N)=O)C=C1)C1=NN=N[N-]1	REAL250004622636	0	32	-1.0	-51.96	276.74	1.12	-50.84
CN(C(=O)C1=CC=C(CNC(N)=O)C=C1)C1=N[N-]N=N1	REAL250004622636	1	32	-1.0	-51.93	276.88	1.12	-50.81
CN(C(=O)CC1OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004622637	0	32	-1.0	-50.89	278.19	3.99	-46.90
CN(C(=O)CC1OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004622637	1	32	-1.0	-50.96	278.06	4.02	-46.94
CN(C(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622638	0	35	-1.0	-47.18	292.55	7.37	-39.81
CN(C(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622638	1	35	-1.0	-47.14	292.68	7.35	-39.79
CN(C(=O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004622639	0	36	-1.0	-52.73	296.37	2.72	-50.01
CN(C(=O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004622639	1	36	-1.0	-52.85	296.23	2.76	-50.09
CC1=CC=NN1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622640	0	33	-1.0	-49.76	279.35	6.51	-43.25
CC1=CC=NN1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622640	1	33	-1.0	-49.66	279.49	6.51	-43.15
CN(C(=O)CC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004622641	0	29	-1.0	-52.93	251.62	1.61	-51.32
CN(C(=O)CC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004622641	1	29	-1.0	-53.07	251.48	1.64	-51.43
CN(C(=O)CCCCC1CCSS1)C1=N[N-]N=N1	REAL250004622642	0	34	-1.0	-49.82	298.47	8.52	-41.30
CN(C(=O)CCCCC1CCSS1)C1=NN=N[N-]1	REAL250004622642	1	34	-1.0	-49.85	298.34	8.55	-41.30
CC(C)CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622643	0	38	-1.0	-47.55	311.06	8.65	-38.90
CC(C)CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622643	1	38	-1.0	-47.61	310.93	8.68	-38.93
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004622644	0	30	-1.0	-50.83	265.60	5.35	-45.48
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004622644	1	30	-1.0	-50.97	265.46	5.37	-45.60
CN(C(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004622645	0	31	-1.0	-53.81	273.39	3.27	-50.54
CN(C(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004622645	1	31	-1.0	-53.89	273.25	3.28	-50.61
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622646	0	31	-1.0	-50.27	278.78	1.09	-49.18
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622646	1	31	-1.0	-50.32	278.64	1.08	-49.24
CN(C(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004622647	0	34	-1.0	-47.48	302.03	5.44	-42.04
CN(C(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004622647	1	34	-1.0	-47.41	302.16	5.41	-42.00
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622648	0	29	-1.0	-50.37	261.45	5.46	-44.91
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622648	1	29	-1.0	-50.30	261.59	5.44	-44.86
COC1=CC=C(C)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622649	0	33	-1.0	-50.01	279.58	5.99	-44.02
COC1=CC=C(C)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622649	1	33	-1.0	-50.09	279.45	6.02	-44.07
CN(C(=O)CSC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004622650	0	30	-1.0	-56.74	277.76	2.33	-54.41
CN(C(=O)CSC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004622650	1	30	-1.0	-56.83	277.63	2.36	-54.47
CN(C(=O)C1=CC=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622651	0	28	-1.0	-48.50	242.90	5.32	-43.18
CN(C(=O)C1=CC=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622651	1	28	-1.0	-48.38	243.03	5.31	-43.07
CN(C(=O)C1=NC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004622652	0	22	-1.0	-46.60	228.64	5.12	-41.48
CN(C(=O)C1=NC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004622652	1	22	-1.0	-46.53	228.78	5.12	-41.41
CN(C(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004622653	0	22	-1.0	-40.24	231.55	4.04	-36.20
CN(C(=O)C1=CC(Cl)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004622653	1	22	-1.0	-40.18	231.69	4.03	-36.15
CN(C(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=NN=N[N-]1	REAL250004622654	0	30	-1.0	-48.35	265.74	7.46	-40.89
CN(C(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=N[N-]N=N1	REAL250004622654	1	30	-1.0	-48.27	265.88	7.44	-40.83
CC(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622655	0	37	-1.0	-47.03	302.92	7.15	-39.88
CC(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622655	1	37	-1.0	-46.96	303.06	7.14	-39.82
CC1=CC=C(C2=C(C(=O)N(C)C3=NN=N[N-]3)SC=C2)C=C1	REAL250004622656	0	33	-1.0	-49.33	288.29	8.11	-41.22
CC1=CC=C(C2=C(C(=O)N(C)C3=N[N-]N=N3)SC=C2)C=C1	REAL250004622656	1	33	-1.0	-49.20	288.43	8.09	-41.11
CN(C(=O)C1=CC=CC=C1S(C)=O)C1=NN=N[N-]1	REAL250004622657	0	28	-1.0	-67.47	249.12	5.00	-62.47
CN(C(=O)C1=CC=CC=C1S(C)=O)C1=N[N-]N=N1	REAL250004622657	1	28	-1.0	-67.39	249.26	5.00	-62.39
CN(C(=O)C1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL250004622658	0	31	-1.0	-56.95	269.63	2.32	-54.63
CN(C(=O)C1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL250004622658	1	31	-1.0	-56.90	269.77	2.32	-54.58
CN(C(=O)C1=CC=CC=C1SCC#N)C1=NN=N[N-]1	REAL250004622659	0	28	-1.0	-56.91	258.19	6.48	-50.43
CN(C(=O)C1=CC=CC=C1SCC#N)C1=N[N-]N=N1	REAL250004622659	1	28	-1.0	-56.78	258.34	6.48	-50.30
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622660	0	32	-1.0	-44.56	279.48	5.83	-38.73
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622660	1	32	-1.0	-44.54	279.62	5.81	-38.73
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL250004622661	0	29	-1.0	-47.43	257.45	6.86	-40.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL250004622661	1	29	-1.0	-47.35	257.59	6.84	-40.51
CN(C(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004622662	0	23	-1.0	-41.89	236.89	5.96	-35.93
CN(C(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004622662	1	23	-1.0	-41.98	236.75	5.96	-36.02
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622663	0	33	-1.0	-51.36	283.62	8.47	-42.89
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622663	1	33	-1.0	-51.25	283.77	8.46	-42.79
CN(C(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622664	0	34	-1.0	-51.85	298.50	7.73	-44.12
CN(C(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622664	1	34	-1.0	-51.88	298.35	7.74	-44.14
CN(C(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622665	0	30	-1.0	-46.95	264.91	7.48	-39.47
CN(C(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622665	1	30	-1.0	-46.87	265.05	7.45	-39.42
CN(C(=O)C1=NNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004622666	0	30	-1.0	-48.10	263.36	5.59	-42.51
CN(C(=O)C1=NNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004622666	1	30	-1.0	-48.01	263.51	5.57	-42.44
COC1=CC(OC)=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622667	0	35	-1.0	-49.43	297.86	5.07	-44.36
COC1=CC(OC)=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622667	1	35	-1.0	-49.49	297.71	5.09	-44.40
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=C(NC=NC2=O)O1	REAL250004622668	0	28	-1.0	-73.71	259.28	1.88	-71.83
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=C(NC=NC2=O)O1	REAL250004622668	1	28	-1.0	-73.63	259.43	1.87	-71.76
CCS(=O)C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622669	0	31	-1.0	-68.58	270.59	5.89	-62.69
CCS(=O)C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622669	1	31	-1.0	-68.51	270.73	5.88	-62.63
CN(C(=O)C1=CC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL250004622670	0	33	-1.0	-46.62	273.05	7.07	-39.55
CN(C(=O)C1=CC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL250004622670	1	33	-1.0	-46.57	273.20	7.05	-39.52
CN(C(=O)C1=CC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL250004622671	0	30	-1.0	-46.64	255.76	6.47	-40.17
CN(C(=O)C1=CC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL250004622671	1	30	-1.0	-46.54	255.91	6.45	-40.09
CCCCC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622672	0	38	-1.0	-47.58	315.74	8.98	-38.60
CCCCC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622672	1	38	-1.0	-47.70	315.61	9.00	-38.70
CN(C(=O)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004622673	0	27	-1.0	-47.16	240.60	4.40	-42.76
CN(C(=O)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004622673	1	27	-1.0	-47.14	240.73	4.38	-42.76
CN(C(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL250004622674	0	41	-1.0	-47.04	295.53	4.54	-42.50
CN(C(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL250004622674	1	41	-1.0	-47.16	295.40	4.56	-42.60
COC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL250004622675	0	33	-1.0	-45.38	280.69	5.79	-39.59
COC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL250004622675	1	33	-1.0	-45.31	280.83	5.77	-39.54
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004622676	0	33	-1.0	-47.68	285.10	5.56	-42.12
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004622676	1	33	-1.0	-47.64	285.24	5.54	-42.10
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL250004622677	0	29	-1.0	-43.28	257.64	6.57	-36.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL250004622677	1	29	-1.0	-43.21	257.78	6.55	-36.66
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(F)C=CC=C12	REAL250004622678	0	29	-1.0	-46.64	257.56	6.56	-40.08
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(F)C=CC=C12	REAL250004622678	1	29	-1.0	-46.57	257.70	6.56	-40.01
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL250004622679	0	29	-1.0	-43.04	267.85	7.03	-36.01
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL250004622679	1	29	-1.0	-42.99	268.00	7.01	-35.98
CCC1=C(C=CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004622680	0	36	-1.0	-47.84	312.27	8.58	-39.26
CCC1=C(C=CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004622680	1	36	-1.0	-47.79	312.42	8.58	-39.21
CN(C(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622681	0	36	-1.0	-49.87	309.97	8.00	-41.87
CN(C(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622681	1	36	-1.0	-49.80	310.10	7.96	-41.84
CN(C(=O)CCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004622682	0	39	-1.0	-49.45	317.87	3.53	-45.92
CN(C(=O)CCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004622682	1	39	-1.0	-49.49	317.73	3.56	-45.93
CN(C(=O)C1=CC=CN=C1N1CCCC1)C1=N[N-]N=N1	REAL250004622683	0	34	-1.0	-50.27	274.47	4.94	-45.33
CN(C(=O)C1=CC=CN=C1N1CCCC1)C1=NN=N[N-]1	REAL250004622683	1	34	-1.0	-50.32	274.32	4.96	-45.36
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622684	0	34	-1.0	-54.77	294.88	6.25	-48.52
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622684	1	34	-1.0	-54.66	295.03	6.22	-48.44
CN(C(=O)COC1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004622685	0	39	-1.0	-49.79	309.95	8.38	-41.41
CN(C(=O)COC1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004622685	1	39	-1.0	-49.88	309.82	8.40	-41.48
COC1=CC=C(OC)C(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622686	0	34	-1.0	-51.25	287.66	4.61	-46.64
COC1=CC=C(OC)C(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622686	1	34	-1.0	-51.29	287.53	4.63	-46.66
CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL250004622687	0	37	-1.0	-55.72	314.71	3.08	-52.64
CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL250004622687	1	37	-1.0	-55.74	314.57	3.10	-52.64
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004622688	0	31	-1.0	-47.10	263.74	7.70	-39.40
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004622688	1	31	-1.0	-46.99	263.88	7.70	-39.29
CN(C(=O)CN1C=CC(=O)NC1=O)C1=N[N-]N=N1	REAL250004622689	0	26	-1.0	-56.17	238.76	1.78	-54.39
CN(C(=O)CN1C=CC(=O)NC1=O)C1=NN=N[N-]1	REAL250004622689	1	26	-1.0	-56.22	238.62	1.80	-54.42
CN(C(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=NN=N[N-]1	REAL250004622690	0	23	-1.0	-45.38	243.08	5.79	-39.59
CN(C(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=N[N-]N=N1	REAL250004622690	1	23	-1.0	-45.30	243.23	5.78	-39.52
COC1=CC(OC)=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622691	0	37	-1.0	-48.87	310.26	5.39	-43.48
COC1=CC(OC)=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622691	1	37	-1.0	-48.91	310.13	5.42	-43.49
CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL250004622692	0	37	-1.0	-31.43	254.35	6.57	-24.86
CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL250004622692	1	37	-1.0	-31.40	254.27	6.60	-24.80
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622693	0	34	-1.0	-55.10	289.27	8.80	-46.30
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622693	1	34	-1.0	-55.03	289.39	8.79	-46.24
CN(C(=O)C1COC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004622694	0	31	-1.0	-34.56	254.61	5.76	-28.80
CN(C(=O)C1COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004622694	1	31	-1.0	-34.61	254.47	5.78	-28.83
CC(=O)C1=C(C)OC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622695	0	34	-1.0	-47.95	294.93	6.28	-41.67
CC(=O)C1=C(C)OC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622695	1	34	-1.0	-48.06	294.79	6.31	-41.75
CC1=NN(C)C(C)=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004622696	0	31	-1.0	-46.37	267.71	3.68	-42.69
CC1=NN(C)C(C)=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004622696	1	31	-1.0	-46.24	267.84	3.68	-42.56
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL250004622697	0	33	-1.0	-50.71	275.72	6.57	-44.14
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL250004622697	1	33	-1.0	-50.59	275.86	6.56	-44.03
CN(C(=O)C1COC2=CC=C(Cl)C=C2C1)C1=N[N-]N=N1	REAL250004622698	0	31	-1.0	-31.75	271.85	6.36	-25.39
CN(C(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NN=N[N-]1	REAL250004622698	1	31	-1.0	-31.92	271.99	6.39	-25.53
CC1=NC(C2=CNC(C(=O)N(C)C3=NN=N[N-]3)=C2)=CS1	REAL250004622699	0	30	-1.0	-54.91	275.00	4.80	-50.11
CC1=NC(C2=CNC(C(=O)N(C)C3=N[N-]N=N3)=C2)=CS1	REAL250004622699	1	30	-1.0	-54.76	274.75	4.80	-49.96
CN(C(=O)C1=CC=CC=C1NC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622700	0	35	-1.0	-50.53	297.81	7.45	-43.08
CN(C(=O)C1=CC=CC=C1NC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622700	1	35	-1.0	-50.45	297.94	7.43	-43.02
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL250004622701	0	29	-1.0	-45.38	261.61	4.20	-41.18
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL250004622701	1	29	-1.0	-45.27	261.75	4.19	-41.08
CN(C(=O)CCC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004622702	0	32	-1.0	-48.44	277.51	5.48	-42.96
CN(C(=O)CCC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004622702	1	32	-1.0	-48.53	277.37	5.51	-43.02
CN(C)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622703	0	37	-1.0	-47.49	302.77	7.19	-40.30
CN(C)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622703	1	37	-1.0	-47.59	302.63	7.21	-40.38
CC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=N1	REAL250004622704	0	28	-1.0	-48.53	261.16	4.85	-43.68
CC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=N1	REAL250004622704	1	28	-1.0	-48.48	261.30	4.85	-43.63
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004622705	0	29	-1.0	-45.81	251.14	6.51	-39.30
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004622705	1	29	-1.0	-45.71	251.28	6.50	-39.21
CNC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=NS1	REAL250004622706	0	27	-1.0	-44.30	250.80	2.31	-41.99
CNC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=NS1	REAL250004622706	1	27	-1.0	-44.22	250.95	2.29	-41.93
CCOC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622707	0	34	-1.0	-52.23	290.67	4.05	-48.18
CCOC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622707	1	34	-1.0	-52.31	290.53	4.05	-48.26
CC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004622708	0	33	-1.0	-44.76	259.92	4.37	-40.39
CC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004622708	1	33	-1.0	-44.84	259.79	4.37	-40.47
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622709	0	33	-1.0	-48.16	286.37	5.61	-42.55
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622709	1	33	-1.0	-48.10	286.50	5.61	-42.49
CC1=CC2=CC=CC=C2N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622710	0	33	-1.0	-51.34	281.97	7.86	-43.48
CC1=CC2=CC=CC=C2N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622710	1	33	-1.0	-51.25	282.11	7.84	-43.41
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622711	0	36	-1.0	-47.66	308.24	7.32	-40.34
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622711	1	36	-1.0	-47.61	308.39	7.31	-40.30
CN(C(=O)C1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL250004622712	0	34	-1.0	-55.45	281.35	6.94	-48.51
CN(C(=O)C1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL250004622712	1	34	-1.0	-55.37	281.48	6.93	-48.44
CN(C(=O)C1=CC(N2CCCC2)=CC=N1)C1=NN=N[N-]1	REAL250004622713	0	34	-1.0	-48.24	277.38	4.72	-43.52
CN(C(=O)C1=CC(N2CCCC2)=CC=N1)C1=N[N-]N=N1	REAL250004622713	1	34	-1.0	-48.22	277.52	4.71	-43.51
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N=C1C	REAL250004622714	0	33	-1.0	-48.29	277.98	4.46	-43.83
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N=C1C	REAL250004622714	1	33	-1.0	-48.20	278.12	4.47	-43.73
CN(C(=O)CCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622715	0	32	-1.0	-47.13	278.61	7.54	-39.59
CN(C(=O)CCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622715	1	32	-1.0	-47.19	278.47	7.58	-39.61
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622716	0	35	-1.0	-44.60	307.00	5.87	-38.73
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622716	1	35	-1.0	-44.66	306.86	5.90	-38.76
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004622717	0	32	-1.0	-45.85	285.51	6.96	-38.89
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004622717	1	32	-1.0	-45.79	285.66	6.95	-38.84
CC1=NOC(C(C)C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622718	0	31	-1.0	-42.51	270.79	5.47	-37.04
CC1=NOC(C(C)C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622718	1	31	-1.0	-42.56	270.65	5.48	-37.08
CN(C(=O)C1CCCN(C2=CN=CC=N2)C1)C1=NN=N[N-]1	REAL250004622719	0	36	-1.0	-48.80	286.86	3.68	-45.12
CN(C(=O)C1CCCN(C2=CN=CC=N2)C1)C1=N[N-]N=N1	REAL250004622719	1	36	-1.0	-48.73	287.00	3.66	-45.07
CN(C(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004622720	0	34	-1.0	-48.57	302.80	2.74	-45.83
CN(C(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004622720	1	34	-1.0	-48.66	302.67	2.77	-45.89
CN(C(=O)CCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004622721	0	29	-1.0	-54.93	256.60	3.42	-51.51
CN(C(=O)CCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004622721	1	29	-1.0	-54.96	256.47	3.46	-51.50
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622722	0	25	-1.0	-45.99	237.01	4.45	-41.54
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622722	1	25	-1.0	-46.04	236.87	4.46	-41.58
CN(C(=O)CCN1CCSC1=O)C1=N[N-]N=N1	REAL250004622723	0	28	-1.0	-52.94	254.77	3.71	-49.23
CN(C(=O)CCN1CCSC1=O)C1=NN=N[N-]1	REAL250004622723	1	28	-1.0	-53.05	254.64	3.74	-49.31
CN(C(=O)CN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL250004622724	0	28	-1.0	-56.34	252.65	2.85	-53.49
CN(C(=O)CN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL250004622724	1	28	-1.0	-56.45	252.51	2.87	-53.58
CC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004622725	0	37	-1.0	-46.03	309.84	7.81	-38.22
CC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004622725	1	37	-1.0	-46.09	309.71	7.84	-38.25
CN(C(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622726	0	31	-1.0	-53.67	272.13	4.70	-48.97
CN(C(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622726	1	31	-1.0	-53.61	272.27	4.67	-48.94
CN(C(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL250004622727	0	28	-1.0	-57.93	265.92	5.55	-52.38
CN(C(=O)CN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL250004622727	1	28	-1.0	-57.85	266.06	5.52	-52.33
CN(C(=O)CCN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622728	0	33	-1.0	-45.50	284.07	7.96	-37.54
CN(C(=O)CCN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622728	1	33	-1.0	-45.56	283.94	8.00	-37.56
CN(C(=O)CC1=NOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622729	0	28	-1.0	-54.12	253.08	5.33	-48.79
CN(C(=O)CC1=NOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622729	1	28	-1.0	-54.03	253.21	5.29	-48.74
CCC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622730	0	29	-1.0	-46.36	253.71	5.96	-40.40
CCC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622730	1	29	-1.0	-46.32	253.86	5.95	-40.37
CN(C(=O)C1=CC2=C(CCCCCC2)S1)C1=N[N-]N=N1	REAL250004622731	0	36	-1.0	-46.48	281.62	7.34	-39.14
CN(C(=O)C1=CC2=C(CCCCCC2)S1)C1=NN=N[N-]1	REAL250004622731	1	36	-1.0	-46.57	281.47	7.36	-39.21
CCCC1=C(CC)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622732	0	35	-1.0	-46.15	295.19	7.45	-38.70
CCCC1=C(CC)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622732	1	35	-1.0	-46.09	295.34	7.43	-38.66
CC1CCC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)S2)C1	REAL250004622733	0	33	-1.0	-46.46	276.56	7.07	-39.39
CC1CCC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)S2)C1	REAL250004622733	1	33	-1.0	-46.40	276.71	7.05	-39.35
CCCC1=C(C)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622734	0	32	-1.0	-46.74	274.52	6.69	-40.05
CCCC1=C(C)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622734	1	32	-1.0	-46.63	274.67	6.67	-39.96
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004622735	0	25	-1.0	-44.24	242.50	6.07	-38.17
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004622735	1	25	-1.0	-44.30	242.36	6.07	-38.23
CN(C(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622736	0	25	-1.0	-55.60	245.70	6.98	-48.62
CN(C(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622736	1	25	-1.0	-55.54	245.84	6.96	-48.58
CN(C(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004622737	0	26	-1.0	-47.35	251.94	6.74	-40.61
CN(C(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004622737	1	26	-1.0	-47.30	252.09	6.73	-40.57
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622738	0	34	-1.0	-58.39	287.88	6.37	-52.02
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622738	1	34	-1.0	-58.29	288.02	6.33	-51.96
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622739	0	33	-1.0	-48.44	285.85	6.58	-41.86
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622739	1	33	-1.0	-48.35	285.99	6.55	-41.80
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622740	0	30	-1.0	-48.04	260.36	6.11	-41.93
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622740	1	30	-1.0	-47.99	260.50	6.08	-41.91
CN(C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=NN=N[N-]1	REAL250004622741	0	26	-1.0	-43.89	231.27	5.87	-38.02
CN(C(=O)C1=CC=C([N+](=O)[O-])N1C)C1=N[N-]N=N1	REAL250004622741	1	26	-1.0	-43.77	231.41	5.84	-37.93
CN(C(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=NN=N[N-]1	REAL250004622742	0	29	-1.0	-53.69	260.71	5.59	-48.10
CN(C(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=N[N-]N=N1	REAL250004622742	1	29	-1.0	-53.60	260.86	5.59	-48.01
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004622743	0	33	-1.0	-49.12	279.44	6.01	-43.11
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004622743	1	33	-1.0	-49.23	279.31	6.04	-43.19
CN(C(=O)C1CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004622744	0	30	-1.0	-53.66	259.09	6.76	-46.90
CN(C(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004622744	1	30	-1.0	-53.70	258.96	6.77	-46.93
CN(C(=O)C1CC(=O)N(C2CCCC2)C1)C1=N[N-]N=N1	REAL250004622745	0	37	-1.0	-54.89	289.28	5.49	-49.40
CN(C(=O)C1CC(=O)N(C2CCCC2)C1)C1=NN=N[N-]1	REAL250004622745	1	37	-1.0	-54.98	289.15	5.50	-49.48
CC1=C(C)C=C2C(CC(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004622746	0	35	-1.0	-52.17	296.77	7.55	-44.62
CC1=C(C)C=C2C(CC(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004622746	1	35	-1.0	-52.26	296.63	7.58	-44.68
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004622747	0	32	-1.0	-45.66	280.33	5.56	-40.10
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004622747	1	32	-1.0	-45.63	280.47	5.53	-40.10
CC1=NN(C)C(C)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004622748	0	35	-1.0	-49.00	292.12	5.51	-43.49
CC1=NN(C)C(C)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004622748	1	35	-1.0	-49.09	291.99	5.54	-43.55
CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=N[N-]N=N1	REAL250004622749	0	35	-1.0	-53.62	299.57	3.89	-49.73
CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NN=N[N-]1	REAL250004622749	1	35	-1.0	-53.70	299.44	3.91	-49.79
CC1CC1C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004622750	0	34	-1.0	-49.97	291.62	7.63	-42.34
CC1CC1C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004622750	1	34	-1.0	-50.04	291.47	7.64	-42.40
COC1=CC(C#N)=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622751	0	32	-1.0	-55.71	288.81	6.01	-49.70
COC1=CC(C#N)=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622751	1	32	-1.0	-55.79	288.68	6.03	-49.76
CC1=CC=CC2=C1N=CN(CC(=O)N(C)C1=NN=N[N-]1)C2=O	REAL250004622752	0	34	-1.0	-57.32	295.54	7.30	-50.02
CC1=CC=CC2=C1N=CN(CC(=O)N(C)C1=N[N-]N=N1)C2=O	REAL250004622752	1	34	-1.0	-57.21	295.68	7.27	-49.94
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004622753	0	33	-1.0	-55.87	280.42	7.59	-48.28
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004622753	1	33	-1.0	-55.74	280.57	7.57	-48.17
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622754	0	35	-1.0	-47.23	294.16	7.45	-39.78
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622754	1	35	-1.0	-47.15	294.31	7.43	-39.72
CC1CC1C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004622755	0	36	-1.0	-46.64	304.11	7.98	-38.66
CC1CC1C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004622755	1	36	-1.0	-46.67	303.99	8.00	-38.67
CN(C(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004622756	0	32	-1.0	-57.90	285.55	4.60	-53.30
CN(C(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004622756	1	32	-1.0	-57.84	285.68	4.58	-53.26
CN(C(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004622757	0	29	-1.0	-44.30	260.89	6.62	-37.68
CN(C(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004622757	1	29	-1.0	-44.26	261.03	6.61	-37.65
CC(=O)N1CCC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004622758	0	34	-1.0	-53.07	282.07	5.97	-47.10
CC(=O)N1CCC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004622758	1	34	-1.0	-52.97	282.22	5.96	-47.01
CN(C(=O)CN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004622759	0	30	-1.0	-57.52	271.74	3.55	-53.97
CN(C(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004622759	1	30	-1.0	-57.59	271.61	3.58	-54.01
CN(C(=O)C1CCCN(C(N)=O)C1)C1=N[N-]N=N1	REAL250004622760	0	32	-1.0	-44.40	253.89	1.85	-42.55
CN(C(=O)C1CCCN(C(N)=O)C1)C1=NN=N[N-]1	REAL250004622760	1	32	-1.0	-44.47	253.74	1.88	-42.59
CN(C(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NN=N[N-]1	REAL250004622761	0	26	-1.0	-47.56	254.94	6.70	-40.86
CN(C(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=N[N-]N=N1	REAL250004622761	1	26	-1.0	-47.50	255.08	6.68	-40.82
CC1=CC=C(C2=NN(CC(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004622762	0	34	-1.0	-54.69	302.95	5.60	-49.09
CC1=CC=C(C2=NN(CC(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004622762	1	34	-1.0	-54.74	302.81	5.63	-49.11
COC1=CC=C(Cl)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622763	0	30	-1.0	-48.75	274.91	5.83	-42.92
COC1=CC=C(Cl)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622763	1	30	-1.0	-48.80	274.77	5.87	-42.93
CN(C(=O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004622764	0	23	-1.0	-48.06	227.14	5.52	-42.54
CN(C(=O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004622764	1	23	-1.0	-48.01	227.28	5.51	-42.50
COCCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C=CC1=O	REAL250004622765	0	32	-1.0	-44.24	279.94	2.71	-41.53
COCCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C=CC1=O	REAL250004622765	1	32	-1.0	-44.36	279.80	2.73	-41.63
CN(C(=O)C1=CC=CC=C1OCC(N)=O)C1=NN=N[N-]1	REAL250004622766	0	31	-1.0	-69.98	267.42	3.17	-66.81
CN(C(=O)C1=CC=CC=C1OCC(N)=O)C1=N[N-]N=N1	REAL250004622766	1	31	-1.0	-69.92	267.57	3.16	-66.76
CN(C(=O)C1=CC2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL250004622767	0	26	-1.0	-48.48	245.44	6.30	-42.18
CN(C(=O)C1=CC2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL250004622767	1	26	-1.0	-48.41	245.58	6.28	-42.13
CN(C(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL250004622768	0	30	-1.0	-46.71	270.10	7.53	-39.18
CN(C(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL250004622768	1	30	-1.0	-46.65	270.24	7.51	-39.14
CC1=CC=CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004622769	0	29	-1.0	-51.62	253.16	6.89	-44.73
CC1=CC=CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CN21	REAL250004622769	1	29	-1.0	-51.57	253.30	6.87	-44.70
CN(C(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004622770	0	29	-1.0	-44.82	261.17	5.24	-39.58
CN(C(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004622770	1	29	-1.0	-44.75	261.31	5.22	-39.53
CCC1=C(C(=O)OC)C(C)=C(C(=O)N(C)C2=NN=N[N-]2)N1	REAL250004622771	0	36	-1.0	-48.41	304.92	6.04	-42.37
CCC1=C(C(=O)OC)C(C)=C(C(=O)N(C)C2=N[N-]N=N2)N1	REAL250004622771	1	36	-1.0	-48.32	305.06	6.01	-42.31
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=C1C(=O)CCC2	REAL250004622772	0	33	-1.0	-50.82	278.11	4.92	-45.90
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=C1C(=O)CCC2	REAL250004622772	1	33	-1.0	-50.76	278.26	4.91	-45.85
CN(C(=O)C1=CC2=CC(F)=CC=C2S1)C1=NN=N[N-]1	REAL250004622773	0	26	-1.0	-44.90	245.46	6.31	-38.59
CN(C(=O)C1=CC2=CC(F)=CC=C2S1)C1=N[N-]N=N1	REAL250004622773	1	26	-1.0	-44.81	245.60	6.29	-38.52
CN(C(=O)C1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004622774	0	23	-1.0	-48.52	222.80	5.48	-43.04
CN(C(=O)C1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004622774	1	23	-1.0	-48.47	222.94	5.48	-42.99
CCCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622775	0	35	-1.0	-47.79	287.50	7.90	-39.89
CCCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622775	1	35	-1.0	-47.72	287.65	7.90	-39.82
CN(C(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NN=N[N-]1	REAL250004622776	0	34	-1.0	-48.56	287.24	9.02	-39.54
CN(C(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=N[N-]N=N1	REAL250004622776	1	34	-1.0	-48.51	287.38	9.03	-39.48
CN(C(=O)C1=CSC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004622777	0	25	-1.0	-51.09	249.27	-1.13	-52.22
CN(C(=O)C1=CSC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004622777	1	25	-1.0	-51.15	249.13	-1.10	-52.25
CN(C(=O)C1=CC=CC=C1SCC(N)=O)C1=NN=N[N-]1	REAL250004622778	0	31	-1.0	-63.81	274.85	2.81	-61.00
CN(C(=O)C1=CC=CC=C1SCC(N)=O)C1=N[N-]N=N1	REAL250004622778	1	31	-1.0	-63.71	274.99	2.81	-60.90
CN(C(=O)C1=CC2=CC=CC=C2OC1)C1=NN=N[N-]1	REAL250004622779	0	29	-1.0	-47.10	255.72	5.64	-41.46
CN(C(=O)C1=CC2=CC=CC=C2OC1)C1=N[N-]N=N1	REAL250004622779	1	29	-1.0	-46.99	255.89	5.64	-41.35
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622780	0	27	-1.0	-40.56	245.63	4.46	-36.10
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622780	1	27	-1.0	-40.50	245.77	4.46	-36.04
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=C(N=CN(C)C2=O)O1	REAL250004622781	0	31	-1.0	-63.72	279.15	3.65	-60.07
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=C(N=CN(C)C2=O)O1	REAL250004622781	1	31	-1.0	-63.64	279.29	3.62	-60.02
CN(C(=O)C1=CC(Br)=CN1)C1=N[N-]N=N1	REAL250004622782	0	21	-1.0	-46.87	209.40	3.99	-42.88
CN(C(=O)C1=CC(Br)=CN1)C1=NN=N[N-]1	REAL250004622782	1	21	-1.0	-46.99	209.25	3.99	-43.00
CN(C(=O)C1=CN=C2SC=CN2C1=O)C1=NN=N[N-]1	REAL250004622783	0	25	-1.0	-57.87	241.68	4.08	-53.79
CN(C(=O)C1=CN=C2SC=CN2C1=O)C1=N[N-]N=N1	REAL250004622783	1	25	-1.0	-57.78	241.80	4.08	-53.70
CN(C(=O)C1=CN=C2SCCN2C1=O)C1=NN=N[N-]1	REAL250004622784	0	27	-1.0	-56.38	250.06	3.76	-52.62
CN(C(=O)C1=CN=C2SCCN2C1=O)C1=N[N-]N=N1	REAL250004622784	1	27	-1.0	-56.26	250.21	3.76	-52.50
CN(C(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=N[N-]N=N1	REAL250004622785	0	29	-1.0	-44.99	272.61	6.15	-38.84
CN(C(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NN=N[N-]1	REAL250004622785	1	29	-1.0	-45.05	272.46	6.15	-38.90
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL250004622786	0	31	-1.0	-56.29	272.19	0.58	-55.71
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL250004622786	1	31	-1.0	-56.23	272.33	0.60	-55.63
CC1=NC(CSCC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004622787	0	29	-1.0	-52.03	280.87	5.05	-46.98
CC1=NC(CSCC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004622787	1	29	-1.0	-52.13	280.73	5.08	-47.05
CN(C(=O)CCSC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004622788	0	30	-1.0	-46.41	275.82	7.28	-39.13
CN(C(=O)CCSC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004622788	1	30	-1.0	-46.48	275.69	7.30	-39.18
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622789	0	30	-1.0	-45.65	264.96	4.65	-41.00
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622789	1	30	-1.0	-45.55	265.12	4.63	-40.92
CN(C(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622790	0	27	-1.0	-45.62	272.39	7.51	-38.11
CN(C(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622790	1	27	-1.0	-45.70	272.25	7.52	-38.18
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004622791	0	33	-1.0	-48.76	286.99	6.15	-42.61
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004622791	1	33	-1.0	-48.88	286.85	6.18	-42.70
CN(C(=O)CSC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622792	0	29	-1.0	-49.77	273.73	3.46	-46.31
CN(C(=O)CSC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622792	1	29	-1.0	-49.75	273.86	3.43	-46.32
CN(C(=O)CSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004622793	0	27	-1.0	-50.22	263.40	6.92	-43.30
CN(C(=O)CSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004622793	1	27	-1.0	-50.29	263.26	6.95	-43.34
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622794	0	33	-1.0	-47.89	280.77	6.07	-41.82
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622794	1	33	-1.0	-47.98	280.64	6.11	-41.87
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL250004622795	0	23	-1.0	-42.34	234.12	5.88	-36.46
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL250004622795	1	23	-1.0	-42.41	233.97	5.87	-36.54
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL250004622796	0	35	-1.0	-46.05	294.83	4.07	-41.98
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL250004622796	1	35	-1.0	-45.97	294.97	4.07	-41.90
CN(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622797	0	28	-1.0	-45.73	252.12	5.60	-40.13
CN(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622797	1	28	-1.0	-45.71	252.25	5.58	-40.13
COC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622798	0	33	-1.0	-52.79	276.04	7.50	-45.29
COC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622798	1	33	-1.0	-52.71	276.19	7.48	-45.23
COC1=CC2=NC(C)=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004622799	0	35	-1.0	-48.61	293.23	5.23	-43.38
COC1=CC2=NC(C)=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004622799	1	35	-1.0	-48.50	293.37	5.21	-43.29
CC1=CC=C(C)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622800	0	33	-1.0	-50.40	280.26	7.23	-43.17
CC1=CC=C(C)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622800	1	33	-1.0	-50.53	280.13	7.26	-43.27
CC(C)COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622801	0	36	-1.0	-47.14	294.64	6.63	-40.51
CC(C)COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622801	1	36	-1.0	-47.26	294.50	6.63	-40.63
CN(C(=O)CNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622802	0	30	-1.0	-43.44	270.60	3.81	-39.63
CN(C(=O)CNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622802	1	30	-1.0	-43.52	270.47	3.83	-39.69
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622803	0	36	-1.0	-45.24	294.85	3.70	-41.54
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622803	1	36	-1.0	-45.34	294.72	3.73	-41.61
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622804	0	33	-1.0	-47.25	280.76	6.08	-41.17
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622804	1	33	-1.0	-47.33	280.63	6.11	-41.22
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004622805	0	29	-1.0	-53.08	262.42	2.44	-50.64
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004622805	1	29	-1.0	-53.15	262.28	2.44	-50.71
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004622806	0	36	-1.0	-48.18	311.51	8.66	-39.52
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004622806	1	36	-1.0	-48.31	311.38	8.68	-39.63
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004622807	0	28	-1.0	-43.34	247.76	6.13	-37.21
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004622807	1	28	-1.0	-43.31	247.90	6.13	-37.18
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004622808	0	26	-1.0	-44.53	240.93	5.91	-38.62
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004622808	1	26	-1.0	-44.67	240.79	5.91	-38.76
CC1=CC=C(C(C)C)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622809	0	39	-1.0	-50.84	318.80	8.49	-42.35
CC1=CC=C(C(C)C)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622809	1	39	-1.0	-50.97	318.67	8.51	-42.46
CN(C(=O)CCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004622810	0	30	-1.0	-46.47	265.96	5.68	-40.79
CN(C(=O)CCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004622810	1	30	-1.0	-46.54	265.82	5.71	-40.83
CN(C(=O)CCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622811	0	29	-1.0	-45.58	267.99	7.30	-38.28
CN(C(=O)CCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622811	1	29	-1.0	-45.67	267.86	7.33	-38.34
CN(C(=O)CCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004622812	0	30	-1.0	-48.11	272.12	7.18	-40.93
CN(C(=O)CCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004622812	1	30	-1.0	-48.20	271.98	7.20	-41.00
CN(C(=O)CCCC1CCCCC1)C1=N[N-]N=N1	REAL250004622813	0	38	-1.0	-47.22	293.54	7.72	-39.50
CN(C(=O)CCCC1CCCCC1)C1=NN=N[N-]1	REAL250004622813	1	38	-1.0	-47.34	293.40	7.75	-39.59
COC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004622814	0	34	-1.0	-48.20	288.98	5.51	-42.69
COC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004622814	1	34	-1.0	-48.30	288.85	5.53	-42.77
COC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004622815	0	33	-1.0	-49.00	283.26	5.28	-43.72
COC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004622815	1	33	-1.0	-48.95	283.40	5.27	-43.68
CN(C(=O)C1=CSC2=C1CCCC2)C1=NN=N[N-]1	REAL250004622816	0	30	-1.0	-48.56	254.38	6.59	-41.97
CN(C(=O)C1=CSC2=C1CCCC2)C1=N[N-]N=N1	REAL250004622816	1	30	-1.0	-48.45	254.70	6.58	-41.87
CC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004622817	0	36	-1.0	-43.42	282.41	4.09	-39.33
CC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004622817	1	36	-1.0	-43.54	282.27	4.09	-39.45
CN(C(=O)C1CCCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004622818	0	34	-1.0	-53.24	274.31	2.66	-50.58
CN(C(=O)C1CCCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004622818	1	34	-1.0	-53.26	274.18	2.67	-50.59
CN(C(=O)C1=CC=CC(CS(C)=O)=C1)C1=NN=N[N-]1	REAL250004622819	0	31	-1.0	-51.75	278.63	4.15	-47.60
CN(C(=O)C1=CC=CC(CS(C)=O)=C1)C1=N[N-]N=N1	REAL250004622819	1	31	-1.0	-51.68	278.77	4.16	-47.52
CN(C(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004622820	0	29	-1.0	-48.10	269.37	6.73	-41.37
CN(C(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004622820	1	29	-1.0	-48.02	269.51	6.72	-41.30
CN(C(=O)C1=CC(Br)=CN1C)C1=N[N-]N=N1	REAL250004622821	0	24	-1.0	-44.84	227.05	5.06	-39.78
CN(C(=O)C1=CC(Br)=CN1C)C1=NN=N[N-]1	REAL250004622821	1	24	-1.0	-44.94	226.89	5.09	-39.85
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL250004622822	0	35	-1.0	-48.02	289.45	4.81	-43.21
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL250004622822	1	35	-1.0	-47.93	289.59	4.81	-43.12
CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004622823	0	33	-1.0	-50.52	280.26	7.23	-43.29
CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004622823	1	33	-1.0	-50.61	280.12	7.26	-43.35
CCOC1=CC=CC=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004622824	0	34	-1.0	-52.38	289.13	6.76	-45.62
CCOC1=CC=CC=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004622824	1	34	-1.0	-52.50	288.99	6.77	-45.73
CC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004622825	0	30	-1.0	-48.32	274.34	7.56	-40.76
CC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004622825	1	30	-1.0	-48.35	274.20	7.59	-40.76
CC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622826	0	33	-1.0	-46.44	281.14	6.27	-40.17
CC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622826	1	33	-1.0	-46.56	281.00	6.31	-40.25
COC1=CC=C(SCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622827	0	34	-1.0	-46.74	299.53	6.52	-40.22
COC1=CC=C(SCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622827	1	34	-1.0	-46.82	299.39	6.56	-40.26
CN(C(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1=NN=N[N-]1	REAL250004622828	0	33	-1.0	-53.82	267.62	8.25	-45.57
CN(C(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1=N[N-]N=N1	REAL250004622828	1	33	-1.0	-53.73	267.76	8.24	-45.49
CN(C(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004622829	0	27	-1.0	-47.70	269.90	7.41	-40.29
CN(C(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004622829	1	27	-1.0	-47.83	269.76	7.42	-40.41
CN(C(=O)CC1=CC(F)=CC2=C1OCOC2)C1=N[N-]N=N1	REAL250004622830	0	32	-1.0	-52.19	279.59	5.16	-47.03
CN(C(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NN=N[N-]1	REAL250004622830	1	32	-1.0	-52.30	279.45	5.19	-47.11
CN(C(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004622831	0	34	-1.0	-52.18	296.40	6.96	-45.22
CN(C(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004622831	1	34	-1.0	-52.10	296.54	6.94	-45.16
CN(C(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL250004622832	0	31	-1.0	-49.14	262.77	4.11	-45.03
CN(C(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL250004622832	1	31	-1.0	-49.06	262.91	4.11	-44.95
CN(C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NN=N[N-]1	REAL250004622833	0	29	-1.0	-51.79	260.92	-0.64	-52.43
CN(C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=N[N-]N=N1	REAL250004622833	1	29	-1.0	-51.72	261.05	-0.66	-52.38
CSC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622834	0	29	-1.0	-58.17	271.74	7.51	-50.66
CSC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622834	1	29	-1.0	-58.14	271.88	7.50	-50.64
CN(C(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004622835	0	29	-1.0	-47.34	268.61	6.97	-40.37
CN(C(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004622835	1	29	-1.0	-47.41	268.47	7.00	-40.41
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004622836	0	31	-1.0	-48.61	284.35	6.34	-42.27
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004622836	1	31	-1.0	-48.72	284.20	6.34	-42.38
CN(C(=O)C1CCCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004622837	0	39	-1.0	-61.90	296.17	5.99	-55.91
CN(C(=O)C1CCCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004622837	1	39	-1.0	-62.03	296.03	6.02	-56.01
COC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004622838	0	35	-1.0	-46.39	293.12	5.28	-41.11
COC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004622838	1	35	-1.0	-46.30	293.26	5.26	-41.04
CN(C(=O)CCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004622839	0	29	-1.0	-46.09	268.00	7.28	-38.81
CN(C(=O)CCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004622839	1	29	-1.0	-46.20	267.86	7.32	-38.88
COC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)CC2=C1	REAL250004622840	0	35	-1.0	-34.65	284.65	5.13	-29.52
COC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)CC2=C1	REAL250004622840	1	35	-1.0	-34.77	284.78	5.17	-29.60
CC1=CC(C)=NC2=NC(C(=O)N(C)C3=NN=N[N-]3)=NN21	REAL250004622841	0	30	-1.0	-55.28	265.99	7.19	-48.09
CC1=CC(C)=NC2=NC(C(=O)N(C)C3=N[N-]N=N3)=NN21	REAL250004622841	1	30	-1.0	-55.19	266.13	7.19	-48.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004622842	0	33	-1.0	-47.60	280.07	6.55	-41.05
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004622842	1	33	-1.0	-47.53	280.22	6.53	-41.00
CC1=C(C)C2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1	REAL250004622843	0	33	-1.0	-49.68	276.60	6.17	-43.51
CC1=C(C)C2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1	REAL250004622843	1	33	-1.0	-49.64	276.74	6.17	-43.47
CN(C(=O)C1=CC(N2CCOCC2)=CC=N1)C1=NN=N[N-]1	REAL250004622844	0	35	-1.0	-49.64	283.58	3.06	-46.58
CN(C(=O)C1=CC(N2CCOCC2)=CC=N1)C1=N[N-]N=N1	REAL250004622844	1	35	-1.0	-49.55	283.72	3.04	-46.51
CN(C(=O)C1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL250004622845	0	26	-1.0	-48.44	260.98	5.76	-42.68
CN(C(=O)C1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL250004622845	1	26	-1.0	-48.33	261.13	5.74	-42.59
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1CC1	REAL250004622846	0	34	-1.0	-51.11	275.43	7.00	-44.11
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1CC1	REAL250004622846	1	34	-1.0	-51.01	275.59	6.98	-44.03
CN(C(=O)C=CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL250004622847	0	32	-1.0	-54.88	289.55	6.49	-48.39
CN(C(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL250004622847	1	32	-1.0	-55.02	289.41	6.49	-48.53
CC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004622848	0	33	-1.0	-45.96	276.37	6.79	-39.17
CC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004622848	1	33	-1.0	-45.86	276.51	6.79	-39.07
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004622849	0	32	-1.0	-46.23	286.72	7.88	-38.35
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004622849	1	32	-1.0	-46.33	286.59	7.91	-38.42
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004622850	0	34	-1.0	-48.53	283.50	5.05	-43.48
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004622850	1	34	-1.0	-48.49	283.64	5.04	-43.45
CC1=CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CN2C=C1	REAL250004622851	0	29	-1.0	-51.19	254.32	6.98	-44.21
CC1=CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CN2C=C1	REAL250004622851	1	29	-1.0	-51.12	254.47	6.96	-44.16
CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622852	0	33	-1.0	-47.20	274.39	5.94	-41.26
CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622852	1	33	-1.0	-47.11	274.54	5.94	-41.17
CSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622853	0	30	-1.0	-48.83	267.74	6.79	-42.04
CSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622853	1	30	-1.0	-48.79	267.89	6.79	-42.00
CN(C(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL250004622854	0	29	-1.0	-49.70	247.48	4.09	-45.61
CN(C(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL250004622854	1	29	-1.0	-49.63	247.62	4.08	-45.55
CN(C(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004622855	0	30	-1.0	-49.12	277.63	7.47	-41.65
CN(C(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004622855	1	30	-1.0	-49.21	277.49	7.48	-41.73
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622856	0	32	-1.0	-57.78	284.52	6.57	-51.21
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622856	1	32	-1.0	-57.75	284.65	6.54	-51.21
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1N1C=CC=C1	REAL250004622857	0	34	-1.0	-49.64	282.34	8.30	-41.34
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1N1C=CC=C1	REAL250004622857	1	34	-1.0	-49.54	282.48	8.30	-41.24
CN(C(=O)CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004622858	0	31	-1.0	-50.25	265.76	5.81	-44.44
CN(C(=O)CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004622858	1	31	-1.0	-50.33	265.62	5.84	-44.49
CN(C(=O)CNC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622859	0	32	-1.0	-45.79	278.96	2.97	-42.82
CN(C(=O)CNC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622859	1	32	-1.0	-45.88	278.82	3.00	-42.88
CN(C(=O)C=CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004622860	0	30	-1.0	-47.96	268.95	7.08	-40.88
CN(C(=O)C=CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004622860	1	30	-1.0	-47.90	269.09	7.07	-40.83
CN(C(=O)C=CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004622861	0	32	-1.0	-49.30	274.80	6.33	-42.97
CN(C(=O)C=CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004622861	1	32	-1.0	-49.38	274.66	6.34	-43.04
CC(NC(=O)C1=CC=CS1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622862	0	30	-1.0	-44.81	271.00	3.32	-41.49
CC(NC(=O)C1=CC=CS1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622862	1	30	-1.0	-44.92	270.87	3.34	-41.58
CC1=NN(C)C(Cl)=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004622863	0	30	-1.0	-47.06	280.51	5.28	-41.78
CC1=NN(C)C(Cl)=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004622863	1	30	-1.0	-47.16	280.36	5.29	-41.87
CC1=NN(C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL250004622864	0	29	-1.0	-46.52	263.60	4.51	-42.01
CC1=NN(C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL250004622864	1	29	-1.0	-46.40	263.75	4.50	-41.90
CN(C(=O)C1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL250004622865	0	28	-1.0	-59.71	253.82	3.50	-56.21
CN(C(=O)C1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL250004622865	1	28	-1.0	-59.65	253.96	3.50	-56.15
CN(C(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL250004622866	0	33	-1.0	-54.02	273.93	3.64	-50.38
CN(C(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL250004622866	1	33	-1.0	-53.96	274.08	3.63	-50.33
CC(C)N1N=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C21	REAL250004622867	0	34	-1.0	-47.14	289.89	5.67	-41.47
CC(C)N1N=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C21	REAL250004622867	1	34	-1.0	-47.10	290.02	5.66	-41.44
CN(C(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL250004622868	0	34	-1.0	-47.71	295.11	6.74	-40.97
CN(C(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL250004622868	1	34	-1.0	-47.78	294.97	6.76	-41.02
CC1=NOC2=NC(C3CC3)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004622869	0	34	-1.0	-41.89	287.90	3.95	-37.94
CC1=NOC2=NC(C3CC3)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004622869	1	34	-1.0	-41.77	288.05	3.94	-37.83
COC1=CC=C(C2=NNC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622870	0	34	-1.0	-51.90	288.96	4.18	-47.72
COC1=CC=C(C2=NNC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622870	1	34	-1.0	-51.85	289.11	4.15	-47.70
CN(C(=O)C1=CNN=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622871	0	30	-1.0	-50.58	267.64	4.98	-45.60
CN(C(=O)C1=CNN=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622871	1	30	-1.0	-50.51	267.78	4.96	-45.55
CN(C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=NN=N[N-]1	REAL250004622872	0	26	-1.0	-44.52	234.65	5.20	-39.32
CN(C(=O)C1=CC([N+](=O)[O-])=CN1C)C1=N[N-]N=N1	REAL250004622872	1	26	-1.0	-44.45	234.79	5.18	-39.27
CN(C(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=N[N-]N=N1	REAL250004622873	0	31	-1.0	-51.24	279.27	4.41	-46.83
CN(C(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NN=N[N-]1	REAL250004622873	1	31	-1.0	-51.73	278.31	4.40	-47.33
CN(C(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004622874	0	34	-1.0	-47.99	283.93	6.19	-41.80
CN(C(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004622874	1	34	-1.0	-48.07	283.80	6.21	-41.86
CN(C(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622875	0	26	-1.0	-50.31	235.19	6.29	-44.02
CN(C(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622875	1	26	-1.0	-50.24	234.86	6.29	-43.95
CN(C(=O)C=CC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL250004622876	0	28	-1.0	-57.02	257.61	6.71	-50.31
CN(C(=O)C=CC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL250004622876	1	28	-1.0	-56.94	257.75	6.69	-50.25
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622877	0	31	-1.0	-45.66	270.18	5.99	-39.67
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622877	1	31	-1.0	-45.52	270.31	5.97	-39.55
COC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004622878	0	32	-1.0	-48.33	274.88	5.64	-42.69
COC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004622878	1	32	-1.0	-48.26	275.02	5.64	-42.62
CC1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622879	0	26	-1.0	-45.06	250.08	3.87	-41.19
CC1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622879	1	26	-1.0	-45.14	249.94	3.90	-41.24
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004622880	0	35	-1.0	-46.16	289.44	7.97	-38.19
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004622880	1	35	-1.0	-46.24	289.30	8.00	-38.24
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004622881	0	29	-1.0	-43.91	260.65	4.89	-39.02
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004622881	1	29	-1.0	-43.85	260.79	4.91	-38.94
CN(C(=O)C1=CNN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622882	0	30	-1.0	-51.36	265.14	4.96	-46.40
CN(C(=O)C1=CNN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622882	1	30	-1.0	-51.29	265.28	4.96	-46.33
CN(C(=O)C1=C(C2=CC=CC=C2)NN=C1)C1=NN=N[N-]1	REAL250004622882	1	30	-1.0	-47.01	258.98	4.94	-42.07
CN(C(=O)C1=C(C2=CC=CC=C2)NN=C1)C1=N[N-]N=N1	REAL250004622882	1	30	-1.0	-46.92	259.14	4.93	-41.99
CC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004622883	0	36	-1.0	-46.94	296.80	6.90	-40.04
CC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004622883	1	36	-1.0	-47.00	296.67	6.92	-40.08
CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004622884	0	34	-1.0	-51.28	280.95	1.67	-49.61
CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004622884	1	34	-1.0	-51.35	280.82	1.70	-49.65
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004622885	0	28	-1.0	-49.31	242.72	5.28	-44.03
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004622885	1	28	-1.0	-49.21	242.85	5.27	-43.94
CC1=C(C=C(C#N)C(=O)N(C)C2=NN=N[N-]2)C=C(C#N)N1C	REAL250004622886	0	33	-1.0	-49.33	296.26	6.60	-42.73
CC1=C(C=C(C#N)C(=O)N(C)C2=N[N-]N=N2)C=C(C#N)N1C	REAL250004622886	1	33	-1.0	-49.25	296.41	6.57	-42.68
CN(C(=O)C=CC1=CC=CC2=CC=CN=C12)C1=NN=N[N-]1	REAL250004622887	0	32	-1.0	-57.36	279.59	7.02	-50.34
CN(C(=O)C=CC1=CC=CC2=CC=CN=C12)C1=N[N-]N=N1	REAL250004622887	1	32	-1.0	-57.32	279.74	7.01	-50.31
CC(=O)NC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622888	0	34	-1.0	-55.47	294.91	5.38	-50.09
CC(=O)NC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622888	1	34	-1.0	-55.58	294.76	5.38	-50.20
CN(C(=O)C1=CC(Cl)=C(Cl)N1)C1=N[N-]N=N1	REAL250004622889	0	21	-1.0	-41.43	221.46	4.28	-37.15
CN(C(=O)C1=CC(Cl)=C(Cl)N1)C1=NN=N[N-]1	REAL250004622889	1	21	-1.0	-41.55	221.31	4.30	-37.25
CN(C(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004622890	0	31	-1.0	-53.19	267.24	4.04	-49.15
CN(C(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004622890	1	31	-1.0	-53.27	267.10	4.07	-49.20
CN(C(=O)CCNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622891	0	36	-1.0	-58.09	310.96	5.09	-53.00
CN(C(=O)CCNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622891	1	36	-1.0	-58.16	310.83	5.13	-53.03
CN(C(=O)C1=CC=C(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL250004622892	0	26	-1.0	-56.36	253.25	2.94	-53.42
CN(C(=O)C1=CC=C(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL250004622892	1	26	-1.0	-56.39	253.11	2.95	-53.44
CN(C(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622893	0	33	-1.0	-30.47	259.72	5.88	-24.59
CN(C(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622893	1	33	-1.0	-30.48	259.58	5.90	-24.58
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL250004622894	0	32	-1.0	-43.93	282.40	6.18	-37.75
CN(C(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL250004622894	1	32	-1.0	-43.83	282.55	6.16	-37.67
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004622895	0	28	-1.0	-60.29	252.64	6.66	-53.63
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004622895	1	28	-1.0	-60.15	252.77	6.66	-53.49
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC(F)F	REAL250004622896	0	31	-1.0	-54.15	269.61	5.39	-48.76
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC(F)F	REAL250004622896	1	31	-1.0	-54.21	269.50	5.40	-48.81
CN(C(=O)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004622897	0	27	-1.0	-51.37	238.60	5.60	-45.77
CN(C(=O)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004622897	1	27	-1.0	-51.29	238.74	5.60	-45.69
CN(C(=O)C1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004622898	0	29	-1.0	-54.73	258.43	3.57	-51.16
CN(C(=O)C1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004622898	1	29	-1.0	-54.64	258.57	3.57	-51.07
CN(C(=O)C1=CC=CC=C1SC(F)F)C1=NN=N[N-]1	REAL250004622899	0	27	-1.0	-49.43	246.98	6.14	-43.29
CN(C(=O)C1=CC=CC=C1SC(F)F)C1=N[N-]N=N1	REAL250004622899	1	27	-1.0	-49.34	247.13	6.13	-43.21
CCSC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622900	0	30	-1.0	-52.16	258.84	6.74	-45.42
CCSC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622900	1	30	-1.0	-52.10	258.98	6.73	-45.37
CN(C(=O)C1=C(N2C=CC=C2)C=CS1)C1=NN=N[N-]1	REAL250004622901	0	28	-1.0	-50.39	250.27	6.74	-43.65
CN(C(=O)C1=C(N2C=CC=C2)C=CS1)C1=N[N-]N=N1	REAL250004622901	1	28	-1.0	-50.28	250.42	6.72	-43.56
COC1=CC=C(F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622902	0	27	-1.0	-50.36	239.69	4.86	-45.50
COC1=CC=C(F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622902	1	27	-1.0	-50.25	239.83	4.85	-45.40
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004622903	0	33	-1.0	-51.63	281.94	6.59	-45.04
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004622903	1	33	-1.0	-51.55	282.07	6.55	-45.00
CC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)C=C1	REAL250004622904	0	33	-1.0	-48.05	284.76	6.27	-41.78
CC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)C=C1	REAL250004622904	1	33	-1.0	-48.01	284.90	6.25	-41.76
CN(C(=O)C1=CC=C(NC(N)=O)C=C1)C1=NN=N[N-]1	REAL250004622905	0	29	-1.0	-55.72	250.60	1.00	-54.72
CN(C(=O)C1=CC=C(NC(N)=O)C=C1)C1=N[N-]N=N1	REAL250004622905	1	29	-1.0	-55.63	250.74	1.00	-54.63
CN(C(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL250004622906	0	29	-1.0	-45.80	268.97	6.76	-39.04
CN(C(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL250004622906	1	29	-1.0	-45.76	269.11	6.74	-39.02
CCOC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004622907	0	36	-1.0	-42.63	287.31	2.88	-39.75
CCOC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004622907	1	36	-1.0	-42.74	287.18	2.91	-39.83
CN(C(=O)C1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622908	0	31	-1.0	-37.40	261.17	4.14	-33.26
CN(C(=O)C1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622908	1	31	-1.0	-37.32	261.40	4.13	-33.19
CC1=NN(C)C2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004622909	0	31	-1.0	-46.58	269.28	4.70	-41.88
CC1=NN(C)C2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004622909	1	31	-1.0	-46.51	269.42	4.68	-41.83
CN(C(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004622910	0	33	-1.0	-47.59	290.33	5.81	-41.78
CN(C(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004622910	1	33	-1.0	-47.66	290.19	5.85	-41.81
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004622911	0	35	-1.0	-54.67	307.54	5.18	-49.49
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004622911	1	35	-1.0	-54.54	307.68	5.14	-49.40
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004622912	0	32	-1.0	-47.21	284.67	5.78	-41.43
CN(C(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004622912	1	32	-1.0	-47.12	284.82	5.76	-41.36
CC(C)C1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622913	0	36	-1.0	-51.02	299.00	7.76	-43.26
CC(C)C1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622913	1	36	-1.0	-51.11	298.86	7.78	-43.33
CC1=NN(C)C2=NC(C)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004622914	0	34	-1.0	-46.57	286.65	5.19	-41.38
CC1=NN(C)C2=NC(C)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004622914	1	34	-1.0	-46.47	286.79	5.18	-41.29
CN(C(=O)C1=CC=CN=C1SC(F)F)C1=NN=N[N-]1	REAL250004622915	0	26	-1.0	-50.55	250.55	5.00	-45.55
CN(C(=O)C1=CC=CN=C1SC(F)F)C1=N[N-]N=N1	REAL250004622915	1	26	-1.0	-50.49	250.69	4.99	-45.50
CN(C(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004622916	0	26	-1.0	-52.82	237.98	5.88	-46.94
CN(C(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004622916	1	26	-1.0	-52.93	237.85	5.87	-47.06
CN(C(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622917	0	35	-1.0	-46.48	291.33	2.37	-44.11
CN(C(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622917	1	35	-1.0	-46.54	291.19	2.39	-44.15
CN(C(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004622918	0	35	-1.0	-48.32	306.45	5.25	-43.07
CN(C(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004622918	1	35	-1.0	-48.39	306.32	5.29	-43.10
CN(C(=O)C1=NNC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL250004622919	0	30	-1.0	-47.84	269.76	5.66	-42.18
CN(C(=O)C1=NNC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL250004622919	1	30	-1.0	-47.76	269.91	5.64	-42.12
CC1=NOC2=NC(C)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004622920	0	30	-1.0	-42.80	261.37	2.59	-40.21
CC1=NOC2=NC(C)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004622920	1	30	-1.0	-42.75	261.50	2.60	-40.15
CN(C(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004622921	0	33	-1.0	-54.00	285.85	6.57	-47.43
CN(C(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004622921	1	33	-1.0	-53.96	285.99	6.57	-47.39
CN(C(=O)CCCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004622922	0	38	-1.0	-49.43	310.89	4.15	-45.28
CN(C(=O)CCCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004622922	1	38	-1.0	-49.51	310.75	4.19	-45.32
CN(C(=O)CC(NC(N)=O)C1=CC=CS1)C1=N[N-]N=N1	REAL250004622923	0	32	-1.0	-52.39	292.65	1.85	-50.54
CN(C(=O)CC(NC(N)=O)C1=CC=CS1)C1=NN=N[N-]1	REAL250004622923	1	32	-1.0	-52.45	292.51	1.88	-50.57
CN(C(=O)C1=CC=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL250004622924	0	25	-1.0	-48.42	243.26	-1.61	-50.03
CN(C(=O)C1=CC=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL250004622924	1	25	-1.0	-48.52	243.12	-1.59	-50.11
CN(C(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL250004622925	0	31	-1.0	-53.87	276.53	6.55	-47.32
CN(C(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL250004622925	1	31	-1.0	-53.97	276.40	6.57	-47.40
CN(C(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NN=N[N-]1	REAL250004622926	0	32	-1.0	-56.50	280.61	7.99	-48.51
CN(C(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=N[N-]N=N1	REAL250004622926	1	32	-1.0	-56.39	280.75	8.00	-48.39
CN(C(=O)C1=CC=C(N2CCOCC2)N=C1)C1=N[N-]N=N1	REAL250004622927	0	35	-1.0	-47.85	284.56	3.14	-44.71
CN(C(=O)C1=CC=C(N2CCOCC2)N=C1)C1=NN=N[N-]1	REAL250004622927	1	35	-1.0	-47.92	284.42	3.14	-44.78
CC(C(=O)N(C)C1=NN=N[N-]1)N1C(=O)OC2=CC=CC=C21	REAL250004622928	0	32	-1.0	-61.91	271.62	6.36	-55.55
CC(C(=O)N(C)C1=N[N-]N=N1)N1C(=O)OC2=CC=CC=C21	REAL250004622928	1	32	-1.0	-61.84	271.75	6.34	-55.50
CC1=C(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL250004622929	0	32	-1.0	-54.77	277.49	1.48	-53.29
CC1=C(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)NC(=O)N1	REAL250004622929	1	32	-1.0	-54.86	277.35	1.50	-53.36
CN(C(=O)C1CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004622930	0	28	-1.0	-46.47	252.12	6.79	-39.68
CN(C(=O)C1CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004622930	1	28	-1.0	-46.55	251.98	6.81	-39.74
CN(C(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622931	0	33	-1.0	-57.55	289.31	6.68	-50.87
CN(C(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622931	1	33	-1.0	-57.48	289.45	6.66	-50.82
CN(C(=O)C1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL250004622932	0	27	-1.0	-46.95	251.93	6.16	-40.79
CN(C(=O)C1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL250004622932	1	27	-1.0	-47.03	251.71	6.16	-40.87
CN(C(=O)C=CC1=CC=CC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004622933	0	33	-1.0	-50.89	282.08	8.63	-42.26
CN(C(=O)C=CC1=CC=CC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004622933	1	33	-1.0	-50.82	282.22	8.63	-42.19
CCC(C)C1=CC=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004622934	0	39	-1.0	-51.24	315.84	8.47	-42.77
CCC(C)C1=CC=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004622934	1	39	-1.0	-51.30	315.71	8.50	-42.80
CN(C(=O)C1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004622935	0	29	-1.0	-58.67	261.15	4.20	-54.47
CN(C(=O)C1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004622935	1	29	-1.0	-58.59	261.30	4.18	-54.41
CC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)SC2=C1	REAL250004622936	0	31	-1.0	-46.24	273.57	7.45	-38.79
CC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)SC2=C1	REAL250004622936	1	31	-1.0	-46.34	273.43	7.48	-38.86
CN(C(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004622937	0	31	-1.0	-51.95	275.21	1.61	-50.34
CN(C(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004622937	1	31	-1.0	-52.04	275.07	1.61	-50.43
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004622938	0	33	-1.0	-47.72	296.79	6.62	-41.10
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004622938	1	33	-1.0	-47.78	296.66	6.66	-41.12
CN(C(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004622939	0	33	-1.0	-30.29	270.05	6.34	-23.95
CN(C(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004622939	1	33	-1.0	-30.27	269.90	6.35	-23.92
CN(C(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622940	0	36	-1.0	-53.26	300.67	9.31	-43.95
CN(C(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622940	1	36	-1.0	-53.12	300.77	9.31	-43.81
CN(C(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=N[N-]N=N1	REAL250004622941	0	37	-1.0	-28.77	270.36	7.01	-21.76
CN(C(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=NN=N[N-]1	REAL250004622941	1	37	-1.0	-28.86	270.25	7.05	-21.81
CN(C(=O)CN1N=C2C=CC=CN2C1=O)C1=N[N-]N=N1	REAL250004622942	0	29	-1.0	-60.68	263.57	5.63	-55.05
CN(C(=O)CN1N=C2C=CC=CN2C1=O)C1=NN=N[N-]1	REAL250004622942	1	29	-1.0	-60.78	263.43	5.66	-55.12
CN(C(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=N[N-]N=N1	REAL250004622943	0	33	-1.0	-48.91	269.40	7.19	-41.72
CN(C(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=NN=N[N-]1	REAL250004622943	1	33	-1.0	-49.00	269.27	7.21	-41.79
CN(C(=O)CCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004622944	0	35	-1.0	-56.04	289.39	3.35	-52.69
CN(C(=O)CCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004622944	1	35	-1.0	-56.13	289.26	3.38	-52.75
CN(C(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=N[N-]N=N1	REAL250004622945	0	36	-1.0	-47.86	281.10	7.63	-40.23
CN(C(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=NN=N[N-]1	REAL250004622945	1	36	-1.0	-47.92	280.96	7.66	-40.26
CN(C(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622946	0	35	-1.0	-48.78	294.39	7.24	-41.54
CN(C(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622946	1	35	-1.0	-48.77	294.52	7.24	-41.53
CC1=CC=NC2=NC(C(=O)N(C)C3=NN=N[N-]3)=NN21	REAL250004622947	0	27	-1.0	-56.34	244.59	6.59	-49.75
CC1=CC=NC2=NC(C(=O)N(C)C3=N[N-]N=N3)=NN21	REAL250004622947	1	27	-1.0	-56.29	244.73	6.58	-49.71
CN(C(=O)C1CSC2(C)CCC(=O)N12)C1=N[N-]N=N1	REAL250004622948	0	32	-1.0	-55.77	274.68	4.59	-51.18
CN(C(=O)C1CSC2(C)CCC(=O)N12)C1=NN=N[N-]1	REAL250004622948	1	32	-1.0	-55.83	274.54	4.61	-51.22
CN(C(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004622949	0	33	-1.0	-50.34	269.93	6.50	-43.84
CN(C(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004622949	1	33	-1.0	-50.44	269.80	6.51	-43.93
CN(C(=O)C1CCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004622950	0	31	-1.0	-49.53	264.75	1.10	-48.43
CN(C(=O)C1CCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004622950	1	31	-1.0	-49.59	264.60	1.10	-48.49
CSC1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004622951	0	25	-1.0	-43.89	249.96	5.05	-38.84
CSC1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004622951	1	25	-1.0	-43.81	250.10	5.04	-38.77
CN(C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL250004622952	0	43	-1.0	-31.77	294.70	7.55	-24.22
CN(C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL250004622952	1	43	-1.0	-31.83	294.61	7.58	-24.25
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=N[N-]N=N1	REAL250004622953	0	33	-1.0	-45.90	281.82	7.67	-38.23
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=NN=N[N-]1	REAL250004622953	1	33	-1.0	-45.96	281.68	7.68	-38.28
CN(C(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL250004622954	0	33	-1.0	-45.91	271.49	7.21	-38.70
CN(C(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL250004622954	1	33	-1.0	-45.98	271.36	7.23	-38.75
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)=C1	REAL250004622955	0	36	-1.0	-50.00	286.40	7.83	-42.17
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)=C1	REAL250004622955	1	36	-1.0	-49.96	286.54	7.82	-42.14
CC1=NOC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=N1	REAL250004622956	0	31	-1.0	-47.05	275.39	4.29	-42.76
CC1=NOC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=N1	REAL250004622956	1	31	-1.0	-46.98	275.53	4.30	-42.68
CN(C(=O)C1=C(N2C=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004622957	0	31	-1.0	-48.76	261.63	6.21	-42.55
CN(C(=O)C1=C(N2C=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004622957	1	31	-1.0	-48.71	261.78	6.20	-42.51
CN(C(=O)C1(C2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL250004622958	0	33	-1.0	-48.88	263.84	7.14	-41.74
CN(C(=O)C1(C2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL250004622958	1	33	-1.0	-48.82	263.98	7.12	-41.70
CC(C)N1C=NN=C1SCC(=O)N(C)C1=NN=N[N-]1	REAL250004622959	0	32	-1.0	-48.29	288.43	7.06	-41.23
CC(C)N1C=NN=C1SCC(=O)N(C)C1=N[N-]N=N1	REAL250004622959	1	32	-1.0	-48.24	288.56	7.03	-41.21
CN(C(=O)CSC1=NN=NN1C1CC1)C1=NN=N[N-]1	REAL250004622960	0	29	-1.0	-45.48	274.85	4.26	-41.22
CN(C(=O)CSC1=NN=NN1C1CC1)C1=N[N-]N=N1	REAL250004622960	1	29	-1.0	-45.40	274.98	4.24	-41.16
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004622961	0	28	-1.0	-45.33	253.48	3.78	-41.55
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004622961	1	28	-1.0	-45.27	253.63	3.76	-41.51
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004622962	0	37	-1.0	-52.89	301.78	7.22	-45.67
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004622962	1	37	-1.0	-52.98	301.64	7.25	-45.73
CSC1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004622963	0	30	-1.0	-47.47	262.06	6.62	-40.85
CSC1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004622963	1	30	-1.0	-47.39	262.20	6.61	-40.78
CN(C(=O)C1=C(C2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL250004622964	0	30	-1.0	-49.87	262.86	7.06	-42.81
CN(C(=O)C1=C(C2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL250004622964	1	30	-1.0	-49.76	263.00	7.04	-42.72
CN(C(=O)C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004622965	0	37	-1.0	-33.51	259.35	6.85	-26.66
CN(C(=O)C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004622965	1	37	-1.0	-33.60	259.25	6.82	-26.78
CC1=CC=CC=C1OCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004622966	0	36	-1.0	-51.10	301.30	7.11	-43.99
CC1=CC=CC=C1OCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004622966	1	36	-1.0	-51.14	301.17	7.15	-43.99
CN(C(=O)C1=CC=CN=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004622967	0	29	-1.0	-57.67	257.68	5.68	-51.99
CN(C(=O)C1=CC=CN=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004622967	1	29	-1.0	-57.50	257.82	5.67	-51.83
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=NN=CN1	REAL250004622968	0	28	-1.0	-48.76	254.82	7.59	-41.17
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=NN=CN1	REAL250004622968	1	28	-1.0	-48.70	254.96	7.57	-41.13
CN(C(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=NN=N[N-]1	REAL250004622969	0	28	-1.0	-45.54	253.16	6.80	-38.74
CN(C(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=N[N-]N=N1	REAL250004622969	1	28	-1.0	-45.45	253.30	6.79	-38.66
CC1=NOC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004622970	0	27	-1.0	-42.98	240.08	2.25	-40.73
CC1=NOC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004622970	1	27	-1.0	-42.93	240.22	2.25	-40.68
CN(C(=O)CCCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004622971	0	33	-1.0	-50.73	287.64	6.43	-44.30
CN(C(=O)CCCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004622971	1	33	-1.0	-50.83	287.50	6.46	-44.37
CN(C(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004622972	0	30	-1.0	-47.84	271.23	7.39	-40.45
CN(C(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004622972	1	30	-1.0	-47.93	271.10	7.41	-40.52
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004622973	0	34	-1.0	-48.72	285.82	6.59	-42.13
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004622973	1	34	-1.0	-48.64	285.96	6.57	-42.07
CN(C(=O)C1CC2CCCC(C1)C2=O)C1=N[N-]N=N1	REAL250004622974	0	35	-1.0	-31.00	262.14	6.11	-24.89
CN(C(=O)C1CC2CCCC(C1)C2=O)C1=NN=N[N-]1	REAL250004622974	1	35	-1.0	-31.08	262.00	6.11	-24.97
CN(C(=O)C1=CC=CC=C1N1C=NN=N1)C1=NN=N[N-]1	REAL250004622975	0	28	-1.0	-66.43	249.49	5.36	-61.07
CN(C(=O)C1=CC=CC=C1N1C=NN=N1)C1=N[N-]N=N1	REAL250004622975	1	28	-1.0	-66.32	249.63	5.35	-60.97
CN(C(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL250004622976	0	34	-1.0	-39.17	294.23	6.92	-32.25
CN(C(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL250004622976	1	34	-1.0	-39.10	294.36	6.90	-32.20
CN(C(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL250004622977	0	30	-1.0	-45.00	268.35	4.18	-40.82
CN(C(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL250004622977	1	30	-1.0	-44.95	268.48	4.17	-40.78
CN(C(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004622978	0	29	-1.0	-46.51	258.35	5.45	-41.06
CN(C(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004622978	1	29	-1.0	-46.43	258.49	5.43	-41.00
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004622979	0	26	-1.0	-44.19	249.49	4.64	-39.55
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004622979	1	26	-1.0	-44.29	249.35	4.65	-39.64
CC1=NN2C(=C1)N=CC(C(=O)N(C)C1=NN=N[N-]1)=C2C	REAL250004622980	0	31	-1.0	-43.03	272.67	5.07	-37.96
CC1=NN2C(=C1)N=CC(C(=O)N(C)C1=N[N-]N=N1)=C2C	REAL250004622980	1	31	-1.0	-42.97	272.82	5.05	-37.92
CN(C(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=NN=N[N-]1	REAL250004622981	0	29	-1.0	-52.51	258.16	1.91	-50.60
CN(C(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=N[N-]N=N1	REAL250004622981	1	29	-1.0	-52.43	258.30	1.92	-50.51
CN(C(=O)C1=CC(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004622982	0	23	-1.0	-43.09	229.42	5.18	-37.91
CN(C(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004622982	1	23	-1.0	-43.12	229.28	5.19	-37.93
CC1CCC2=C(C1)SC=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004622983	0	33	-1.0	-48.20	275.18	7.20	-41.00
CC1CCC2=C(C1)SC=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004622983	1	33	-1.0	-48.09	275.49	7.19	-40.90
CCCCC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004622984	0	41	-1.0	-32.26	308.42	8.39	-23.87
CCCCC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004622984	1	41	-1.0	-32.29	308.31	8.42	-23.87
CC(NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004622985	0	35	-1.0	-43.60	281.89	3.24	-40.36
CC(NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004622985	1	35	-1.0	-43.68	281.75	3.27	-40.41
CN(C(=O)C12CCC(=O)N1CCS2)C1=N[N-]N=N1	REAL250004622986	0	29	-1.0	-33.11	247.12	3.38	-29.73
CN(C(=O)C12CCC(=O)N1CCS2)C1=NN=N[N-]1	REAL250004622986	1	29	-1.0	-33.15	246.98	3.39	-29.76
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004622987	0	35	-1.0	-42.64	291.80	8.23	-34.41
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004622987	1	35	-1.0	-42.64	291.94	8.20	-34.44
CN(C(=O)CC1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004622988	0	31	-1.0	-53.79	269.74	6.52	-47.27
CN(C(=O)CC1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004622988	1	31	-1.0	-53.69	269.87	6.50	-47.19
CC1OC2=CC=CC=C2OC1C(=O)N(C)C1=N[N-]N=N1	REAL250004622989	0	32	-1.0	-47.55	263.98	6.01	-41.54
CC1OC2=CC=CC=C2OC1C(=O)N(C)C1=NN=N[N-]1	REAL250004622989	1	32	-1.0	-47.64	263.84	6.02	-41.62
CN(C(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=NN=N[N-]1	REAL250004622990	0	28	-1.0	-53.81	254.96	5.12	-48.69
CN(C(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=N[N-]N=N1	REAL250004622990	1	28	-1.0	-53.71	255.10	5.10	-48.61
CC(C)C1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004622991	0	36	-1.0	-45.32	294.18	7.45	-37.87
CC(C)C1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004622991	1	36	-1.0	-45.27	294.33	7.42	-37.85
CN(C(=O)C1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004622992	0	33	-1.0	-50.03	266.49	7.42	-42.61
CN(C(=O)C1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004622992	1	33	-1.0	-49.94	266.62	7.41	-42.53
CC(OC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004622993	0	30	-1.0	-34.34	256.93	6.58	-27.76
CC(OC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004622993	1	30	-1.0	-34.40	256.82	6.60	-27.80
CC1=NC(C(F)(F)F)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004622994	0	28	-1.0	-43.11	258.84	4.85	-38.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004622994	1	28	-1.0	-43.16	258.70	4.86	-38.30
CCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004622995	0	40	-1.0	-47.02	320.35	8.44	-38.58
CCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004622995	1	40	-1.0	-47.10	320.21	8.47	-38.63
CN(C)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004622996	0	35	-1.0	-49.84	289.75	6.86	-42.98
CN(C)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004622996	1	35	-1.0	-49.96	289.61	6.86	-43.10
CN(C(=O)C1=CC=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004622997	0	34	-1.0	-51.09	283.36	8.32	-42.77
CN(C(=O)C1=CC=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004622997	1	34	-1.0	-50.98	283.48	8.31	-42.67
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL250004622998	0	36	-1.0	-47.96	298.69	7.21	-40.75
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL250004622998	1	36	-1.0	-47.87	298.83	7.18	-40.69
CN(C(=O)C1(C2=CC=CC=C2)CCCC1)C1=NN=N[N-]1	REAL250004622999	0	36	-1.0	-50.85	275.09	7.92	-42.93
CN(C(=O)C1(C2=CC=CC=C2)CCCC1)C1=N[N-]N=N1	REAL250004622999	1	36	-1.0	-50.77	275.22	7.91	-42.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004623000	0	32	-1.0	-50.32	274.39	6.33	-43.99
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004623000	1	32	-1.0	-50.29	274.54	6.30	-43.99
CN(C(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004623001	0	29	-1.0	-45.93	259.43	5.31	-40.62
CN(C(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004623001	1	29	-1.0	-45.83	259.57	5.28	-40.55
CN(C(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004623002	0	23	-1.0	-51.91	231.08	5.61	-46.30
CN(C(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004623002	1	23	-1.0	-51.82	231.23	5.59	-46.23
CN(C(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=N[N-]N=N1	REAL250004623003	0	36	-1.0	-45.75	281.08	7.63	-38.12
CN(C(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=NN=N[N-]1	REAL250004623003	1	36	-1.0	-45.80	280.95	7.64	-38.16
CN(C(=O)C1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004623004	0	40	-1.0	-58.43	316.25	5.46	-52.97
CN(C(=O)C1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004623004	1	40	-1.0	-58.49	316.12	5.49	-53.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004623005	0	36	-1.0	-47.66	298.70	7.21	-40.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004623005	1	36	-1.0	-47.60	298.83	7.19	-40.41
CN(C(=O)CSCC(=O)N1CCCCC1)C1=N[N-]N=N1	REAL250004623006	0	37	-1.0	-58.89	311.53	5.95	-52.94
CN(C(=O)CSCC(=O)N1CCCCC1)C1=NN=N[N-]1	REAL250004623006	1	37	-1.0	-58.94	311.39	5.98	-52.96
CN(C(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NN=N[N-]1	REAL250004623007	0	31	-1.0	-49.19	283.51	3.46	-45.73
CN(C(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=N[N-]N=N1	REAL250004623007	1	31	-1.0	-49.09	283.64	3.43	-45.66
CN(C(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004623008	0	31	-1.0	-54.79	281.55	4.92	-49.87
CN(C(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004623008	1	31	-1.0	-54.85	281.42	4.95	-49.90
CC(=O)NCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623009	0	35	-1.0	-52.59	295.16	3.66	-48.93
CC(=O)NCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623009	1	35	-1.0	-52.70	295.03	3.69	-49.01
CN(C(=O)CSC1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL250004623010	0	27	-1.0	-71.52	254.35	4.97	-66.55
CN(C(=O)CSC1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL250004623010	1	27	-1.0	-71.57	254.21	5.00	-66.57
COCCN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004623011	0	34	-1.0	-49.13	286.23	2.88	-46.25
COCCN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004623011	1	34	-1.0	-49.23	286.11	2.91	-46.32
CN(C(=O)C1CC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004623012	0	31	-1.0	-47.30	255.94	4.32	-42.98
CN(C(=O)C1CC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004623012	1	31	-1.0	-47.36	255.80	4.35	-43.01
CC(C)C1CCC(C)CC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004623013	0	45	-1.0	-50.92	339.93	8.42	-42.50
CC(C)C1CCC(C)CC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004623013	1	45	-1.0	-51.01	339.80	8.45	-42.56
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004623014	0	28	-1.0	-45.89	254.22	4.88	-41.01
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004623014	1	28	-1.0	-45.79	254.36	4.86	-40.93
CC(C)C(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004623015	0	39	-1.0	-36.94	299.75	5.41	-31.53
CC(C)C(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004623015	1	39	-1.0	-37.00	299.60	5.41	-31.59
CC1=CC=CC(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623016	0	36	-1.0	-51.83	304.92	9.13	-42.70
CC1=CC=CC(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623016	1	36	-1.0	-51.80	305.04	9.12	-42.68
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623017	0	42	-1.0	-33.95	319.24	4.26	-29.69
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623017	1	42	-1.0	-34.01	319.10	4.28	-29.73
CN(C(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623018	0	27	-1.0	-40.93	257.62	6.22	-34.71
CN(C(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623018	1	27	-1.0	-40.86	257.76	6.23	-34.63
CC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623019	0	36	-1.0	-34.37	288.09	2.96	-31.41
CC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623019	1	36	-1.0	-34.41	287.94	2.98	-31.43
CN(C(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623020	0	27	-1.0	-38.85	256.78	4.13	-34.72
CN(C(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623020	1	27	-1.0	-38.87	256.65	4.14	-34.73
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL250004623021	0	29	-1.0	-49.93	269.95	5.60	-44.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL250004623021	1	29	-1.0	-49.85	270.09	5.56	-44.29
CN(C(=O)C1=NOC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL250004623022	0	26	-1.0	-44.29	252.91	5.79	-38.50
CN(C(=O)C1=NOC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL250004623022	1	26	-1.0	-44.24	253.05	5.78	-38.46
CN(C(=O)CN1N=C2CCCCCN2C1=O)C1=N[N-]N=N1	REAL250004623023	0	36	-1.0	-61.27	297.36	5.99	-55.28
CN(C(=O)CN1N=C2CCCCCN2C1=O)C1=NN=N[N-]1	REAL250004623023	1	36	-1.0	-61.29	297.22	6.01	-55.28
CN(C(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623024	0	34	-1.0	-38.73	278.35	5.87	-32.86
CN(C(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623024	1	34	-1.0	-38.70	278.59	5.86	-32.84
CC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004623025	0	30	-1.0	-45.91	255.50	6.21	-39.70
CC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004623025	1	30	-1.0	-45.89	255.65	6.18	-39.71
CCOC1=CC=C(C=C(C#N)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623026	0	35	-1.0	-43.78	301.27	6.43	-37.35
CCOC1=CC=C(C=C(C#N)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623026	1	35	-1.0	-43.88	301.08	6.43	-37.45
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004623027	0	31	-1.0	-46.21	263.49	4.82	-41.39
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004623027	1	31	-1.0	-46.14	263.63	4.79	-41.35
CN(C(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL250004623028	0	27	-1.0	-44.54	250.85	6.05	-38.49
CN(C(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL250004623028	1	27	-1.0	-44.48	250.99	6.02	-38.46
CN(C(=O)C1=CC2=CC=CC=C2C=C1O)C1=NN=N[N-]1	REAL250004623029	0	30	-1.0	-50.80	257.71	5.46	-45.34
CN(C(=O)C1=CC2=CC=CC=C2C=C1O)C1=N[N-]N=N1	REAL250004623029	1	30	-1.0	-50.67	257.85	5.47	-45.20
CN(C(=O)C1=CC(Br)=CC=C1O)C1=N[N-]N=N1	REAL250004623030	0	24	-1.0	-47.33	231.80	3.91	-43.42
CN(C(=O)C1=CC(Br)=CC=C1O)C1=NN=N[N-]1	REAL250004623030	1	24	-1.0	-47.41	231.65	3.91	-43.50
CN(C(=O)C1=CC(Cl)=CC=C1O)C1=NN=N[N-]1	REAL250004623031	1	24	-1.0	-47.61	227.09	3.82	-43.79
CN(C(=O)C1=CC(Cl)=CC=C1O)C1=N[N-]N=N1	REAL250004623031	1	24	-1.0	-47.55	227.23	3.81	-43.74
CC1=CC=CC=C1NCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623032	0	34	-1.0	-48.27	282.69	5.69	-42.58
CC1=CC=CC=C1NCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623032	1	34	-1.0	-48.33	282.56	5.72	-42.61
CN(C(=O)C1=CSC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL250004623033	0	26	-1.0	-50.22	251.90	4.77	-45.45
CN(C(=O)C1=CSC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL250004623033	1	26	-1.0	-50.14	252.05	4.75	-45.39
CN(C(=O)C1=CC=C(Cl)C=C1O)C1=NN=N[N-]1	REAL250004623034	1	24	-1.0	-46.05	231.52	3.23	-42.82
CN(C(=O)C1=CC=C(Cl)C=C1O)C1=N[N-]N=N1	REAL250004623034	1	24	-1.0	-45.95	231.66	3.21	-42.74
CN(C(=O)C1=CC=C(O)C(Cl)=C1)C1=NN=N[N-]1	REAL250004623035	1	24	-1.0	-45.60	229.10	2.63	-42.97
CN(C(=O)C1=CC=C(O)C(Cl)=C1)C1=N[N-]N=N1	REAL250004623035	1	24	-1.0	-45.54	229.25	2.62	-42.92
CN(C(=O)CC1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004623036	0	29	-1.0	-60.98	255.83	6.61	-54.37
CN(C(=O)CC1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004623036	1	29	-1.0	-60.94	255.97	6.58	-54.36
CN(C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004623037	0	30	-1.0	-51.45	259.42	5.11	-46.34
CN(C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004623037	1	30	-1.0	-51.40	259.55	5.11	-46.29
CC(OC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623039	0	30	-1.0	-55.55	256.73	6.22	-49.33
CC(OC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623039	1	30	-1.0	-55.66	256.59	6.24	-49.42
CN(C(=O)COC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004623040	0	27	-1.0	-48.15	261.36	6.41	-41.74
CN(C(=O)COC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004623040	1	27	-1.0	-48.21	261.23	6.44	-41.77
CN(C(=O)CCOCC(F)(F)F)C1=N[N-]N=N1	REAL250004623041	0	26	-1.0	-44.69	244.95	3.49	-41.20
CN(C(=O)CCOCC(F)(F)F)C1=NN=N[N-]1	REAL250004623041	1	26	-1.0	-44.79	244.82	3.52	-41.27
CNC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623042	0	34	-1.0	-52.54	295.33	4.77	-47.77
CNC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623042	1	34	-1.0	-52.60	295.18	4.78	-47.82
CC(C(=O)N(C)C1=N[N-]N=N1)N1C(=O)CCC1=O	REAL250004623043	0	29	-1.0	-42.98	242.73	4.50	-38.48
CC(C(=O)N(C)C1=NN=N[N-]1)N1C(=O)CCC1=O	REAL250004623043	1	29	-1.0	-43.00	242.59	4.52	-38.48
CN(C(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004623044	0	30	-1.0	-49.08	258.95	7.32	-41.76
CN(C(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004623044	1	30	-1.0	-49.10	258.81	7.31	-41.79
CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004623045	0	33	-1.0	-51.40	274.26	-1.01	-52.41
CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004623045	1	33	-1.0	-51.44	274.13	-0.97	-52.41
C=CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623046	0	31	-1.0	-47.52	265.80	5.73	-41.79
C=CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623046	1	31	-1.0	-47.48	265.94	5.72	-41.76
C=CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623047	0	31	-1.0	-54.67	263.60	6.82	-47.85
C=CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623047	1	31	-1.0	-54.59	263.74	6.82	-47.77
CC1=C(C)C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2N1	REAL250004623048	0	33	-1.0	-49.74	274.70	6.23	-43.51
CC1=C(C)C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2N1	REAL250004623048	1	33	-1.0	-49.65	274.84	6.24	-43.41
CN(C(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004623049	0	33	-1.0	-54.72	284.65	7.41	-47.31
CN(C(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004623049	1	33	-1.0	-54.65	284.79	7.40	-47.25
CN(C(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NN=N[N-]1	REAL250004623050	0	31	-1.0	-63.46	270.17	2.32	-61.14
CN(C(=O)C1=CC=CC(OCC(N)=O)=C1)C1=N[N-]N=N1	REAL250004623050	1	31	-1.0	-63.42	270.31	2.32	-61.10
CN(C(=O)CN1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004623051	0	31	-1.0	-54.16	263.99	-0.52	-54.68
CN(C(=O)CN1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004623051	1	31	-1.0	-54.28	263.85	-0.49	-54.77
CN(C(=O)CCC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL250004623052	0	33	-1.0	-48.96	290.52	6.35	-42.61
CN(C(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL250004623052	1	33	-1.0	-49.05	290.39	6.39	-42.66
CN(C(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=N[N-]N=N1	REAL250004623053	0	34	-1.0	-48.62	291.38	4.81	-43.81
CN(C(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NN=N[N-]1	REAL250004623053	1	34	-1.0	-48.73	291.24	4.84	-43.89
CN(C(=O)C1=NNC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL250004623054	0	27	-1.0	-49.49	247.84	3.73	-45.76
CN(C(=O)C1=NNC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL250004623054	1	27	-1.0	-49.41	247.97	3.71	-45.70
CN(C(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL250004623055	0	28	-1.0	-54.74	259.23	4.95	-49.79
CN(C(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL250004623055	1	28	-1.0	-54.66	259.37	4.93	-49.73
CN(C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004623056	0	25	-1.0	-55.29	240.09	4.09	-51.20
CN(C(=O)CN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004623056	1	25	-1.0	-55.20	240.23	4.06	-51.14
COC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623057	0	31	-1.0	-52.60	268.66	3.13	-49.47
COC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623057	1	31	-1.0	-52.55	268.81	3.12	-49.43
CN(C(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=N[N-]N=N1	REAL250004623058	0	29	-1.0	-48.72	255.96	6.61	-42.11
CN(C(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=NN=N[N-]1	REAL250004623058	1	29	-1.0	-48.76	255.82	6.63	-42.13
CN(C(=O)CN1N=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004623059	0	31	-1.0	-60.88	276.69	4.97	-55.91
CN(C(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004623059	1	31	-1.0	-60.92	276.55	4.99	-55.93
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL250004623060	0	30	-1.0	-46.20	270.66	7.34	-38.86
CN(C(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL250004623060	1	30	-1.0	-46.30	270.52	7.37	-38.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=NC=CC(C)=C12	REAL250004623061	0	31	-1.0	-47.18	263.07	5.42	-41.76
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=NC=CC(C)=C12	REAL250004623061	1	31	-1.0	-47.05	263.21	5.41	-41.64
CN(C(=O)C1=CC(Cl)=C(Cl)N1C)C1=N[N-]N=N1	REAL250004623062	0	24	-1.0	-41.31	238.34	5.27	-36.04
CN(C(=O)C1=CC(Cl)=C(Cl)N1C)C1=NN=N[N-]1	REAL250004623062	1	24	-1.0	-41.38	238.19	5.25	-36.13
CN(C(=O)C1=CC2=CC=C(C(C)(C)C)C=C2N1)C1=NN=N[N-]1	REAL250004623063	0	39	-1.0	-45.17	310.11	7.86	-37.31
CN(C(=O)C1=CC2=CC=C(C(C)(C)C)C=C2N1)C1=N[N-]N=N1	REAL250004623063	1	39	-1.0	-45.10	310.25	7.82	-37.28
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL250004623064	0	31	-1.0	-50.79	271.00	6.07	-44.72
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL250004623064	1	31	-1.0	-50.74	271.14	6.06	-44.68
CN(C(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004623065	0	28	-1.0	-54.10	255.62	6.06	-48.04
CN(C(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004623065	1	28	-1.0	-54.03	255.77	6.04	-47.99
CN(C(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=N[N-]N=N1	REAL250004623066	0	42	-1.0	-49.12	330.71	9.19	-39.93
CN(C(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=NN=N[N-]1	REAL250004623066	1	42	-1.0	-49.14	330.58	9.22	-39.92
CC(C)CN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004623067	0	36	-1.0	-47.36	289.82	5.10	-42.26
CC(C)CN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004623067	1	36	-1.0	-47.46	289.70	5.13	-42.33
CN(C(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623068	0	29	-1.0	-57.42	266.99	6.52	-50.90
CN(C(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623068	1	29	-1.0	-57.48	266.86	6.55	-50.93
CC1=NN(C)C2=NC(C)=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004623069	0	34	-1.0	-45.33	288.45	5.33	-40.00
CC1=NN(C)C2=NC(C)=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004623069	1	34	-1.0	-45.29	288.59	5.32	-39.97
CN(C(=O)C1=COC(Br)=C1)C1=N[N-]N=N1	REAL250004623070	0	20	-1.0	-43.71	205.06	3.70	-40.01
CN(C(=O)C1=COC(Br)=C1)C1=NN=N[N-]1	REAL250004623070	1	20	-1.0	-43.82	204.91	3.71	-40.11
CN(C(=O)COC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004623071	0	27	-1.0	-53.93	251.42	5.98	-47.95
CN(C(=O)COC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004623071	1	27	-1.0	-54.04	251.28	6.01	-48.03
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004623072	0	36	-1.0	-46.78	301.21	7.02	-39.76
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004623072	1	36	-1.0	-46.83	301.08	7.05	-39.78
CN(C(=O)C1CCN(C2=CN=CC=N2)CC1)C1=NN=N[N-]1	REAL250004623073	0	36	-1.0	-34.10	286.22	3.94	-30.16
CN(C(=O)C1CCN(C2=CN=CC=N2)CC1)C1=N[N-]N=N1	REAL250004623073	1	36	-1.0	-34.05	286.34	3.92	-30.13
CN(C(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL250004623074	0	31	-1.0	-53.77	278.01	6.18	-47.59
CN(C(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL250004623074	1	31	-1.0	-53.69	278.15	6.15	-47.54
CN(C(=O)C1CCC(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL250004623075	0	30	-1.0	-48.70	255.08	2.54	-46.16
CN(C(=O)C1CCC(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL250004623075	1	30	-1.0	-48.76	254.95	2.56	-46.20
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1C	REAL250004623076	0	34	-1.0	-44.41	292.77	6.21	-38.20
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1C	REAL250004623076	1	34	-1.0	-44.48	292.64	6.23	-38.25
CC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004623077	0	30	-1.0	-53.15	266.53	6.68	-46.47
CC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004623077	1	30	-1.0	-53.22	266.39	6.71	-46.51
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CC=CC=N1	REAL250004623078	0	36	-1.0	-54.47	298.18	7.89	-46.58
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CC=CC=N1	REAL250004623078	1	36	-1.0	-54.38	298.31	7.88	-46.50
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CC=CN=C1	REAL250004623079	0	36	-1.0	-50.76	304.27	7.19	-43.57
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CC=CN=C1	REAL250004623079	1	36	-1.0	-50.91	304.02	7.23	-43.68
CN(C(=O)CCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004623080	0	30	-1.0	-44.74	266.14	5.66	-39.08
CN(C(=O)CCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004623080	1	30	-1.0	-44.81	266.01	5.70	-39.11
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004623081	0	36	-1.0	-48.13	298.11	7.21	-40.92
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004623081	1	36	-1.0	-48.08	298.29	7.18	-40.90
CN(C(=O)CCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623082	0	30	-1.0	-45.41	266.14	5.66	-39.75
CN(C(=O)CCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623082	1	30	-1.0	-45.48	266.01	5.70	-39.78
CCCCNC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623083	0	37	-1.0	-47.11	300.21	6.36	-40.75
CCCCNC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623083	1	37	-1.0	-47.01	300.37	6.36	-40.65
CN(C(=O)C1=CN(C)C(=O)NC1=O)C1=NN=N[N-]1	REAL250004623084	0	26	-1.0	-52.07	235.26	1.15	-50.92
CN(C(=O)C1=CN(C)C(=O)NC1=O)C1=N[N-]N=N1	REAL250004623084	1	26	-1.0	-51.95	235.39	1.14	-50.81
CN(C)C(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004623085	0	38	-1.0	-34.54	289.00	4.20	-30.34
CN(C)C(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004623085	1	38	-1.0	-34.53	288.86	4.20	-30.33
CC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=C(Cl)C2=C1	REAL250004623086	0	30	-1.0	-46.78	269.99	6.70	-40.08
CC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=C(Cl)C2=C1	REAL250004623086	1	30	-1.0	-46.73	270.13	6.68	-40.05
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004623087	0	35	-1.0	-50.02	294.74	7.13	-42.89
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004623087	1	35	-1.0	-49.97	294.88	7.10	-42.87
CN(C(=O)C1CCN(C(=O)NC2CC2)CC1)C1=N[N-]N=N1	REAL250004623088	0	39	-1.0	-54.19	307.18	4.68	-49.51
CN(C(=O)C1CCN(C(=O)NC2CC2)CC1)C1=NN=N[N-]1	REAL250004623088	1	39	-1.0	-54.30	307.04	4.71	-49.59
CN(C(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=NN=N[N-]1	REAL250004623089	0	34	-1.0	-49.29	278.26	5.03	-44.26
CN(C(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=N[N-]N=N1	REAL250004623089	1	34	-1.0	-49.21	278.40	5.04	-44.17
CN(C(=O)CCOC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623090	0	30	-1.0	-44.58	276.46	6.11	-38.47
CN(C(=O)CCOC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623090	1	30	-1.0	-44.66	276.33	6.15	-38.51
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623091	0	33	-1.0	-51.81	278.99	6.80	-45.01
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623091	1	33	-1.0	-51.87	278.86	6.82	-45.05
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004623092	0	30	-1.0	-50.21	263.59	6.77	-43.44
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004623092	1	30	-1.0	-50.15	263.74	6.76	-43.39
CN(C(=O)C1CC(=O)N(C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004623093	0	40	-1.0	-54.90	307.38	6.15	-48.75
CN(C(=O)C1CC(=O)N(C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004623093	1	40	-1.0	-54.99	307.24	6.17	-48.82
CN(C(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004623094	0	34	-1.0	-49.42	290.75	8.75	-40.67
CN(C(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004623094	1	34	-1.0	-49.45	290.61	8.79	-40.66
CN(C)S(=O)(=O)C1=CNC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623095	0	32	-1.0	-53.04	285.33	1.30	-51.74
CN(C)S(=O)(=O)C1=CNC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623095	1	32	-1.0	-52.95	285.47	1.30	-51.65
CC1=NC2=CC(F)=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623096	0	31	-1.0	-44.47	270.86	6.00	-38.47
CC1=NC2=CC(F)=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623096	1	31	-1.0	-44.38	270.98	5.99	-38.39
COC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004623097	0	30	-1.0	-47.22	262.95	5.09	-42.13
COC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004623097	1	30	-1.0	-47.13	263.09	5.08	-42.05
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL250004623098	0	30	-1.0	-49.48	270.00	6.84	-42.64
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL250004623098	1	30	-1.0	-49.38	270.15	6.83	-42.55
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2C(=O)NN(C)C2=N1	REAL250004623099	0	32	-1.0	-61.71	278.28	3.66	-58.05
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2C(=O)NN(C)C2=N1	REAL250004623099	1	32	-1.0	-61.59	278.41	3.66	-57.93
CN(C(=O)CCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004623100	0	30	-1.0	-45.64	275.76	6.16	-39.48
CN(C(=O)CCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004623100	1	30	-1.0	-45.71	275.63	6.19	-39.52
CN(C(=O)CCCNC(=O)C1CC1)C1=N[N-]N=N1	REAL250004623101	0	33	-1.0	-49.99	282.97	3.69	-46.30
CN(C(=O)CCCNC(=O)C1CC1)C1=NN=N[N-]1	REAL250004623101	1	33	-1.0	-50.07	282.84	3.72	-46.35
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004623102	0	28	-1.0	-47.13	265.64	-0.40	-47.53
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004623102	1	28	-1.0	-47.24	265.49	-0.37	-47.61
CC1=CC=CC(C)=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623103	0	36	-1.0	-46.77	301.49	7.14	-39.63
CC1=CC=CC(C)=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623103	1	36	-1.0	-46.86	301.35	7.17	-39.69
CN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004623104	0	30	-1.0	-50.78	271.55	4.23	-46.55
CN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004623104	1	30	-1.0	-50.85	271.43	4.25	-46.60
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004623105	0	36	-1.0	-47.61	299.09	7.48	-40.13
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004623105	1	36	-1.0	-47.59	299.23	7.48	-40.11
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004623106	0	35	-1.0	-46.70	298.14	6.91	-39.79
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004623106	1	35	-1.0	-46.60	298.28	6.89	-39.71
CCN1N=C(C(C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623107	0	35	-1.0	-43.61	284.20	5.48	-38.13
CCN1N=C(C(C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623107	1	35	-1.0	-43.57	284.38	5.46	-38.11
CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL250004623108	0	30	-1.0	-55.66	270.62	4.61	-51.05
CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL250004623108	1	30	-1.0	-55.75	270.48	4.63	-51.12
CN(C(=O)C1=CC=C(CN2C=CC=N2)O1)C1=NN=N[N-]1	REAL250004623109	0	30	-1.0	-49.38	270.75	5.25	-44.13
CN(C(=O)C1=CC=C(CN2C=CC=N2)O1)C1=N[N-]N=N1	REAL250004623109	1	30	-1.0	-49.28	270.90	5.22	-44.06
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1OC(F)F	REAL250004623110	0	33	-1.0	-47.85	280.31	5.90	-41.95
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL250004623110	1	33	-1.0	-47.87	280.17	5.90	-41.97
CN(C(=O)C1=CC=C(OC2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004623111	0	37	-1.0	-46.75	297.88	7.15	-39.60
CN(C(=O)C1=CC=C(OC2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004623111	1	37	-1.0	-46.86	297.74	7.18	-39.68
CC1=CC=CC(NC(=O)NCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623112	0	35	-1.0	-45.98	300.37	3.65	-42.33
CC1=CC=CC(NC(=O)NCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623112	1	35	-1.0	-46.04	300.24	3.67	-42.37
CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004623113	0	36	-1.0	-46.83	284.96	4.88	-41.95
CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004623113	1	36	-1.0	-46.96	284.84	4.91	-42.05
CN(C(=O)C1(C2=CC=CC=C2F)CCCC1)C1=N[N-]N=N1	REAL250004623114	0	36	-1.0	-46.40	274.06	7.95	-38.45
CN(C(=O)C1(C2=CC=CC=C2F)CCCC1)C1=NN=N[N-]1	REAL250004623114	1	36	-1.0	-46.47	273.93	7.96	-38.51
CN(C(=O)C1=CNC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004623115	0	29	-1.0	-61.31	255.94	4.96	-56.35
CN(C(=O)C1=CNC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004623115	1	29	-1.0	-61.23	256.08	4.96	-56.27
CC(=O)NC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623116	0	26	-1.0	-50.00	245.65	3.02	-46.98
CC(=O)NC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623116	1	26	-1.0	-49.90	245.80	3.01	-46.89
CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1=N[N-]N=N1	REAL250004623117	0	37	-1.0	-39.09	290.87	5.77	-33.32
CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1=NN=N[N-]1	REAL250004623117	1	37	-1.0	-39.11	290.70	5.79	-33.32
CC(C)C(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623118	0	36	-1.0	-54.31	297.89	5.27	-49.04
CC(C)C(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623118	1	36	-1.0	-54.36	297.75	5.28	-49.08
CN(C(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL250004623119	0	27	-1.0	-43.69	250.85	6.03	-37.66
CN(C(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL250004623119	1	27	-1.0	-43.62	251.00	6.00	-37.62
CN(C(=O)C1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004623120	0	27	-1.0	-50.43	237.88	1.73	-48.70
CN(C(=O)C1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004623120	1	27	-1.0	-50.32	238.02	1.73	-48.59
CC1=CC=C(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004623121	0	32	-1.0	-41.55	282.28	6.90	-34.65
CC1=CC=C(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004623121	1	32	-1.0	-41.47	282.42	6.88	-34.59
CC(C)C1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623122	0	33	-1.0	-45.70	285.14	3.43	-42.27
CC(C)C1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623122	1	33	-1.0	-45.76	285.00	3.47	-42.29
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NN=N[N-]1	REAL250004623123	0	30	-1.0	-54.57	267.14	6.90	-47.67
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=N[N-]N=N1	REAL250004623123	1	30	-1.0	-54.48	267.28	6.88	-47.60
CN(C(=O)C1(C2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL250004623124	0	37	-1.0	-49.14	280.17	5.67	-43.47
CN(C(=O)C1(C2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL250004623124	1	37	-1.0	-49.23	280.03	5.68	-43.55
CC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004623125	0	31	-1.0	-57.46	267.82	3.14	-54.32
CC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004623125	1	31	-1.0	-57.56	267.68	3.18	-54.38
CN(C(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004623126	0	39	-1.0	-54.44	326.05	4.76	-49.68
CN(C(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004623126	1	39	-1.0	-54.48	325.92	4.80	-49.68
CC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623127	0	31	-1.0	-51.54	270.37	6.37	-45.17
CC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623127	1	31	-1.0	-51.62	270.24	6.39	-45.23
CN(C(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004623128	0	30	-1.0	-46.68	279.52	7.13	-39.55
CN(C(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004623128	1	30	-1.0	-46.61	279.66	7.12	-39.49
CC1=CC=C(C2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)O1	REAL250004623129	0	29	-1.0	-50.33	273.82	5.59	-44.74
CC1=CC=C(C2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)O1	REAL250004623129	1	29	-1.0	-50.23	273.96	5.58	-44.65
CC1=NOC(CCCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623130	0	30	-1.0	-54.29	264.33	3.16	-51.13
CC1=NOC(CCCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623130	1	30	-1.0	-54.39	264.20	3.18	-51.21
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004623131	0	32	-1.0	-51.51	268.89	5.87	-45.64
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004623131	1	32	-1.0	-51.63	268.74	5.89	-45.74
CCC(CC)N1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004623132	0	39	-1.0	-46.97	309.29	6.51	-40.46
CCC(CC)N1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004623132	1	39	-1.0	-47.06	309.17	6.54	-40.52
CN(C(=O)C1=CNC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623133	0	31	-1.0	-57.03	270.00	6.54	-50.49
CN(C(=O)C1=CNC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623133	1	31	-1.0	-56.95	270.19	6.51	-50.44
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004623134	0	36	-1.0	-47.69	304.25	7.03	-40.66
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004623134	1	36	-1.0	-47.57	304.40	7.01	-40.56
CN(C(=O)C(C#N)=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623135	0	28	-1.0	-42.91	256.40	6.25	-36.66
CN(C(=O)C(C#N)=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623135	1	28	-1.0	-42.81	256.54	6.24	-36.57
CN(C(=O)C1=CC=C(C(N)=S)C=C1)C1=NN=N[N-]1	REAL250004623136	0	27	-1.0	-55.13	249.31	4.12	-51.01
CN(C(=O)C1=CC=C(C(N)=S)C=C1)C1=N[N-]N=N1	REAL250004623136	1	27	-1.0	-55.04	249.46	4.13	-50.91
CN(C(=O)C=CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004623137	0	27	-1.0	-50.30	252.65	6.64	-43.66
CN(C(=O)C=CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004623137	1	27	-1.0	-50.39	252.50	6.64	-43.75
CN(C(=O)C1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004623138	0	30	-1.0	-59.99	258.18	6.57	-53.42
CN(C(=O)C1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004623138	1	30	-1.0	-59.86	258.33	6.55	-53.31
CN(C(=O)CCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623139	0	30	-1.0	-45.07	276.46	6.12	-38.95
CN(C(=O)CCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623139	1	30	-1.0	-45.17	276.33	6.15	-39.02
CN(C(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004623140	0	33	-1.0	-54.76	285.50	8.18	-46.58
CN(C(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004623140	1	33	-1.0	-54.81	285.37	8.18	-46.63
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NN=N[N-]1	REAL250004623141	0	33	-1.0	-51.48	284.55	8.42	-43.06
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=N[N-]N=N1	REAL250004623141	1	33	-1.0	-51.41	284.69	8.40	-43.01
CN(C(=O)C1=CC=CN=C1N1CCCCC1)C1=N[N-]N=N1	REAL250004623142	0	37	-1.0	-50.95	297.87	5.96	-44.99
CN(C(=O)C1=CC=CN=C1N1CCCCC1)C1=NN=N[N-]1	REAL250004623142	1	37	-1.0	-51.06	297.73	5.99	-45.07
CN(C(=O)CCOCC1CCCO1)C1=N[N-]N=N1	REAL250004623143	0	34	-1.0	-47.05	282.45	3.47	-43.58
CN(C(=O)CCOCC1CCCO1)C1=NN=N[N-]1	REAL250004623143	1	34	-1.0	-47.16	282.32	3.51	-43.65
CN(C(=O)COCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623144	0	34	-1.0	-55.80	294.27	6.09	-49.71
CN(C(=O)COCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623144	1	34	-1.0	-55.91	294.13	6.11	-49.80
COC1=CC=CC(COCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623145	0	34	-1.0	-53.98	293.85	5.64	-48.34
COC1=CC=CC(COCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623145	1	34	-1.0	-54.07	293.71	5.66	-48.41
CN(C(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL250004623146	0	26	-1.0	-46.91	233.71	3.47	-43.44
CN(C(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL250004623146	1	26	-1.0	-46.85	233.85	3.46	-43.39
CC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004623147	0	32	-1.0	-45.55	280.82	5.98	-39.57
CC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004623147	1	32	-1.0	-45.43	280.96	5.96	-39.47
COCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623148	0	29	-1.0	-62.23	266.53	-0.03	-62.26
COCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623148	1	29	-1.0	-62.37	266.39	-0.01	-62.38
CN(C(=O)CC1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004623149	0	32	-1.0	-57.25	280.08	5.06	-52.19
CN(C(=O)CC1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004623149	1	32	-1.0	-57.16	280.22	5.03	-52.13
CC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C(=O)N2C=C1	REAL250004623150	0	31	-1.0	-58.78	272.32	5.56	-53.22
CC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C(=O)N2C=C1	REAL250004623150	1	31	-1.0	-60.96	276.33	5.71	-55.25
CN(C(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL250004623151	0	29	-1.0	-46.36	266.97	5.76	-40.60
CN(C(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL250004623151	1	29	-1.0	-46.27	267.12	5.74	-40.53
CN(C(=O)CCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004623152	0	32	-1.0	-56.59	278.10	4.23	-52.36
CN(C(=O)CCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004623152	1	32	-1.0	-56.69	277.96	4.26	-52.43
CN(C(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004623153	0	30	-1.0	-46.99	282.32	6.18	-40.81
CN(C(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004623153	1	30	-1.0	-47.09	282.18	6.20	-40.89
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004623154	0	29	-1.0	-45.75	272.86	4.51	-41.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004623154	1	29	-1.0	-45.66	273.01	4.48	-41.18
CN(C(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL250004623155	0	29	-1.0	-41.34	267.31	6.29	-35.05
CN(C(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL250004623155	1	29	-1.0	-41.26	267.45	6.28	-34.98
CCN1CCN(CC(=O)N(C)C2=N[N-]N=N2)C(=O)C1=O	REAL250004623156	0	34	-1.0	-64.54	290.20	4.26	-60.28
CCN1CCN(CC(=O)N(C)C2=NN=N[N-]2)C(=O)C1=O	REAL250004623156	1	34	-1.0	-64.64	290.07	4.28	-60.36
COC1=CC=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004623157	0	34	-1.0	-55.54	291.18	5.34	-50.20
COC1=CC=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004623157	1	34	-1.0	-55.46	291.32	5.31	-50.15
CN(C(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL250004623158	0	36	-1.0	-36.90	287.74	6.06	-30.84
CN(C(=O)C1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL250004623158	1	36	-1.0	-36.85	287.88	6.04	-30.81
CCC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004623159	0	33	-1.0	-49.46	294.26	7.65	-41.81
CCC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004623159	1	33	-1.0	-49.55	294.12	7.68	-41.87
CC(OC1=CC=C2CCCC2=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623160	0	37	-1.0	-34.44	296.08	8.27	-26.17
CC(OC1=CC=C2CCCC2=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623160	1	37	-1.0	-34.51	295.94	8.28	-26.23
COC1=CC=CC(COC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623161	0	37	-1.0	-54.44	310.09	6.16	-48.28
COC1=CC=CC(COC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623161	1	37	-1.0	-54.54	309.96	6.18	-48.36
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)C)=N1	REAL250004623162	0	31	-1.0	-44.34	268.48	4.68	-39.66
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)C)=N1	REAL250004623162	1	31	-1.0	-44.40	268.34	4.70	-39.70
CCCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004623163	0	31	-1.0	-44.26	269.20	4.86	-39.40
CCCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004623163	1	31	-1.0	-44.33	269.06	4.88	-39.45
CN(C(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL250004623164	0	32	-1.0	-53.71	271.95	5.01	-48.70
CN(C(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL250004623164	1	32	-1.0	-53.66	272.07	5.01	-48.65
CN(C(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL250004623165	0	33	-1.0	-67.06	275.97	3.65	-63.41
CN(C(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL250004623165	1	33	-1.0	-66.98	276.12	3.66	-63.32
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC1	REAL250004623166	0	35	-1.0	-53.04	292.10	6.35	-46.69
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)CC1	REAL250004623166	1	35	-1.0	-52.96	292.24	6.35	-46.61
CC1=CC(NC(=O)C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004623167	0	26	-1.0	-40.64	236.05	2.82	-37.82
CC1=CC(NC(=O)C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004623167	1	26	-1.0	-40.68	235.92	2.83	-37.85
CC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623168	0	32	-1.0	-44.34	271.14	3.39	-40.95
CC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623168	1	32	-1.0	-44.29	271.28	3.39	-40.90
CN(C(=O)CC1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL250004623169	0	27	-1.0	-63.66	247.08	5.87	-57.79
CN(C(=O)CC1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL250004623169	1	27	-1.0	-63.75	246.94	5.90	-57.85
CN(C(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1=NN=N[N-]1	REAL250004623170	0	28	-1.0	-44.05	253.40	0.45	-43.60
CN(C(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1=N[N-]N=N1	REAL250004623170	1	28	-1.0	-44.00	253.54	0.44	-43.56
CC(C)CS(=O)(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623171	0	34	-1.0	-49.99	291.71	3.02	-46.97
CC(C)CS(=O)(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623171	1	34	-1.0	-50.06	291.57	3.05	-47.01
CN(C(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004623172	0	29	-1.0	-41.66	260.94	6.22	-35.44
CN(C(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004623172	1	29	-1.0	-41.61	261.08	6.21	-35.40
CN(C(=O)CSCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004623173	0	31	-1.0	-51.92	295.15	7.76	-44.16
CN(C(=O)CSCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004623173	1	31	-1.0	-52.05	295.01	7.79	-44.26
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC(F)F	REAL250004623174	0	31	-1.0	-53.62	271.55	4.42	-49.20
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC(F)F	REAL250004623174	1	31	-1.0	-53.68	271.41	4.43	-49.25
CN(C(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL250004623175	0	32	-1.0	-68.40	270.86	4.96	-63.44
CN(C(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL250004623175	1	32	-1.0	-68.30	271.00	4.96	-63.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004623176	0	35	-1.0	-47.72	272.70	4.95	-42.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004623176	1	35	-1.0	-47.66	272.84	4.92	-42.74
CC1=NN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL250004623177	0	33	-1.0	-48.72	283.23	6.71	-42.01
CC1=NN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL250004623177	1	33	-1.0	-48.61	283.37	6.72	-41.89
CN(C(=O)CS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL250004623178	0	32	-1.0	-64.27	274.78	2.83	-61.44
CN(C(=O)CS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL250004623178	1	32	-1.0	-64.31	274.64	2.86	-61.45
COC1=CC=CC=C1C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623179	0	34	-1.0	-48.69	294.25	5.08	-43.61
COC1=CC=CC=C1C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623179	1	34	-1.0	-48.60	294.40	5.07	-43.53
CN(C(=O)C1=NNC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL250004623180	0	27	-1.0	-48.30	256.62	4.72	-43.58
CN(C(=O)C1=NNC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL250004623180	1	27	-1.0	-48.24	256.76	4.70	-43.54
CN(C(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NN=N[N-]1	REAL250004623181	0	28	-1.0	-43.53	261.54	6.49	-37.04
CN(C(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=N[N-]N=N1	REAL250004623181	1	28	-1.0	-43.42	261.68	6.47	-36.95
CCC(OC1=CC=CC=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623182	0	36	-1.0	-50.18	285.96	7.44	-42.74
CCC(OC1=CC=CC=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623182	1	36	-1.0	-50.27	285.82	7.46	-42.81
CN(C(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004623183	0	33	-1.0	-52.77	288.09	7.21	-45.56
CN(C(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004623183	1	33	-1.0	-52.73	288.22	7.17	-45.56
COC1=CC=C2C(=C1)C=CN2CC(=O)N(C)C1=NN=N[N-]1	REAL250004623184	0	34	-1.0	-52.54	292.45	6.71	-45.83
COC1=CC=C2C(=C1)C=CN2CC(=O)N(C)C1=N[N-]N=N1	REAL250004623184	1	34	-1.0	-52.49	292.58	6.68	-45.81
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004623185	0	33	-1.0	-61.05	277.00	4.71	-56.34
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004623185	1	33	-1.0	-60.98	277.14	4.70	-56.28
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C(C)(C)C	REAL250004623186	0	35	-1.0	-50.89	279.85	5.61	-45.28
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C(C)(C)C	REAL250004623186	1	35	-1.0	-50.80	280.00	5.60	-45.20
CC(C)CS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623187	0	31	-1.0	-63.87	269.60	2.46	-61.41
CC(C)CS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623187	1	31	-1.0	-63.93	269.47	2.48	-61.45
CN(C(=O)CCS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL250004623188	0	35	-1.0	-49.54	296.88	3.36	-46.18
CN(C(=O)CCS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL250004623188	1	35	-1.0	-49.59	296.75	3.39	-46.20
CC(C)C1=CC=C(SCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623189	0	36	-1.0	-47.52	308.57	8.39	-39.13
CC(C)C1=CC=C(SCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623189	1	36	-1.0	-47.59	308.44	8.41	-39.18
CN(C(=O)C1=C(Br)C=CS1)C1=N[N-]N=N1	REAL250004623190	0	20	-1.0	-46.46	210.02	4.45	-42.01
CN(C(=O)C1=C(Br)C=CS1)C1=NN=N[N-]1	REAL250004623190	1	20	-1.0	-46.56	209.87	4.44	-42.12
CN(C(=O)C1=CC=C(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL250004623191	0	33	-1.0	-58.53	284.67	5.54	-52.99
CN(C(=O)C1=CC=C(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL250004623191	1	33	-1.0	-58.48	284.80	5.53	-52.95
CN(C(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623192	0	26	-1.0	-39.55	253.60	6.44	-33.11
CN(C(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623192	1	26	-1.0	-39.57	253.47	6.48	-33.09
CN(C(=O)C1=CC2=C(CCC2)NC1=O)C1=NN=N[N-]1	REAL250004623193	0	30	-1.0	-62.01	259.65	3.88	-58.13
CN(C(=O)C1=CC2=C(CCC2)NC1=O)C1=N[N-]N=N1	REAL250004623193	1	30	-1.0	-62.00	259.79	3.88	-58.12
CN(C(=O)CN1CCCCCCC1=O)C1=N[N-]N=N1	REAL250004623194	0	36	-1.0	-51.52	275.25	5.60	-45.92
CN(C(=O)CN1CCCCCCC1=O)C1=NN=N[N-]1	REAL250004623194	1	36	-1.0	-51.56	275.12	5.64	-45.92
CN(C(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004623195	0	32	-1.0	-49.35	276.06	5.80	-43.55
CN(C(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004623195	1	32	-1.0	-49.28	276.21	5.82	-43.46
CC1=NN(C(C)CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004623196	0	35	-1.0	-44.21	290.46	5.66	-38.55
CC1=NN(C(C)CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004623196	1	35	-1.0	-44.27	290.32	5.68	-38.59
COC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623197	0	28	-1.0	-47.11	255.04	4.81	-42.30
COC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623197	1	28	-1.0	-47.07	255.18	4.79	-42.28
CN(C(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004623198	0	32	-1.0	-57.96	283.53	5.79	-52.17
CN(C(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004623198	1	32	-1.0	-58.05	283.39	5.82	-52.23
CCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623199	0	43	-1.0	-46.97	341.84	9.22	-37.75
CCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623199	1	43	-1.0	-47.03	341.71	9.25	-37.78
COC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623200	0	29	-1.0	-54.12	257.78	5.57	-48.55
COC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623200	1	29	-1.0	-54.02	257.92	5.57	-48.45
CC(NC(=O)C1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623201	0	36	-1.0	-43.65	286.50	3.90	-39.75
CC(NC(=O)C1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623201	1	36	-1.0	-43.71	286.37	3.92	-39.79
CC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)O1	REAL250004623202	0	30	-1.0	-49.45	269.72	4.54	-44.91
CC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)O1	REAL250004623202	1	30	-1.0	-49.43	269.87	4.54	-44.89
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)C=NC2=NN1	REAL250004623203	0	28	-1.0	-50.56	245.28	3.35	-47.21
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)C=NC2=NN1	REAL250004623203	1	28	-1.0	-50.51	245.43	3.34	-47.17
CN(C(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004623204	0	34	-1.0	-44.71	288.06	4.99	-39.72
CN(C(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004623204	1	34	-1.0	-44.78	287.93	5.01	-39.77
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=C2NC=NC2=NC=N1	REAL250004623205	0	32	-1.0	-50.92	271.42	4.72	-46.20
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=C2NC=NC2=NC=N1	REAL250004623205	1	32	-1.0	-51.01	271.29	4.75	-46.26
CN(C(=O)C1=C(Cl)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004623206	0	26	-1.0	-49.72	253.05	5.86	-43.86
CN(C(=O)C1=C(Cl)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004623206	1	26	-1.0	-49.68	253.20	5.85	-43.83
CN(C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL250004623207	0	25	-1.0	-63.01	240.40	5.05	-57.96
CN(C(=O)CN1C=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL250004623207	1	25	-1.0	-62.94	240.54	5.02	-57.92
CN(C(=O)CCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623208	0	32	-1.0	-49.21	289.49	8.08	-41.13
CN(C(=O)CCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623208	1	32	-1.0	-49.32	289.35	8.11	-41.21
CN(C(=O)CCOC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004623209	0	30	-1.0	-43.94	282.17	6.22	-37.72
CN(C(=O)CCOC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004623209	1	30	-1.0	-44.03	282.03	6.26	-37.77
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004623210	0	33	-1.0	-46.97	288.78	5.29	-41.68
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004623210	1	33	-1.0	-46.86	288.93	5.29	-41.57
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004623211	0	38	-1.0	-48.05	293.77	5.51	-42.54
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004623211	1	38	-1.0	-47.98	293.92	5.50	-42.48
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(Br)=C1	REAL250004623212	0	23	-1.0	-41.98	226.11	4.81	-37.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(Br)=C1	REAL250004623212	1	23	-1.0	-42.06	225.96	4.83	-37.23
CN(C(=O)CCCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623213	0	35	-1.0	-56.82	300.10	8.36	-48.46
CN(C(=O)CCCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623213	1	35	-1.0	-56.93	299.97	8.38	-48.55
CN(C(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004623214	0	39	-1.0	-50.69	310.63	7.08	-43.61
CN(C(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004623214	1	39	-1.0	-50.81	310.49	7.09	-43.72
CN(C(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004623215	0	27	-1.0	-44.58	257.85	5.45	-39.13
CN(C(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004623215	1	27	-1.0	-44.53	257.99	5.44	-39.09
CN(C(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL250004623216	0	27	-1.0	-45.98	255.03	6.09	-39.89
CN(C(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL250004623216	1	27	-1.0	-45.91	255.26	6.08	-39.83
CN(C(=O)CN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004623217	0	28	-1.0	-59.72	252.46	0.73	-58.99
CN(C(=O)CN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004623217	1	28	-1.0	-59.82	252.32	0.75	-59.07
CC(SCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623218	0	33	-1.0	-49.72	289.43	7.79	-41.93
CC(SCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623218	1	33	-1.0	-49.80	289.29	7.82	-41.98
CCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623219	0	33	-1.0	-50.67	274.94	5.93	-44.74
CCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623219	1	33	-1.0	-50.66	275.08	5.94	-44.72
CN(C(=O)CC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004623220	0	29	-1.0	-49.33	266.07	7.36	-41.97
CN(C(=O)CC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004623220	1	29	-1.0	-49.24	266.21	7.32	-41.92
CN(C(=O)C1=CSC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623221	0	22	-1.0	-48.26	221.60	4.74	-43.52
CN(C(=O)C1=CSC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623221	1	22	-1.0	-48.39	221.45	4.76	-43.63
CN(C(=O)C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004623222	0	32	-1.0	-48.81	263.49	6.17	-42.64
CN(C(=O)C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004623222	1	32	-1.0	-48.89	263.36	6.19	-42.70
CN(C(=O)C(F)(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623223	0	26	-1.0	-42.02	236.85	5.97	-36.05
CN(C(=O)C(F)(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623223	1	26	-1.0	-42.08	236.71	5.99	-36.09
CN(C(=O)C1CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004623224	0	31	-1.0	-52.99	269.90	6.47	-46.52
CN(C(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004623224	1	31	-1.0	-53.06	269.77	6.50	-46.56
CC(C)OC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623225	0	37	-1.0	-48.62	308.10	7.33	-41.29
CC(C)OC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623225	1	37	-1.0	-48.75	307.95	7.33	-41.42
CCCOC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623226	0	37	-1.0	-48.52	311.68	7.50	-41.02
CCCOC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623226	1	37	-1.0	-48.62	311.54	7.51	-41.11
CN(C(=O)CNC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL250004623227	0	26	-1.0	-45.57	246.24	1.85	-43.72
CN(C(=O)CNC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL250004623227	1	26	-1.0	-45.62	246.11	1.88	-43.74
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1Cl	REAL250004623228	0	29	-1.0	-51.41	268.77	4.86	-46.55
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1Cl	REAL250004623228	1	29	-1.0	-51.46	268.64	4.88	-46.58
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=CC1=O	REAL250004623229	0	33	-1.0	-48.91	287.82	4.54	-44.37
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=CC1=O	REAL250004623229	1	33	-1.0	-48.96	287.69	4.54	-44.42
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623230	0	38	-1.0	-47.68	305.63	5.77	-41.91
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623230	1	38	-1.0	-47.62	305.77	5.76	-41.86
CN(C(=O)CCC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004623231	0	26	-1.0	-44.92	258.53	6.48	-38.44
CN(C(=O)CCC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004623231	1	26	-1.0	-45.01	258.40	6.52	-38.49
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004623232	0	32	-1.0	-59.28	275.11	3.06	-56.22
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004623232	1	32	-1.0	-59.14	275.25	3.07	-56.07
CN(C(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004623233	0	33	-1.0	-45.98	295.25	4.49	-41.49
CN(C(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004623233	1	33	-1.0	-46.04	295.11	4.52	-41.52
CC(C)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623234	0	38	-1.0	-46.08	311.48	8.71	-37.37
CC(C)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623234	1	38	-1.0	-46.19	311.35	8.74	-37.45
CN(C(=O)CCN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004623235	0	31	-1.0	-57.49	273.48	1.30	-56.19
CN(C(=O)CCN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004623235	1	31	-1.0	-57.58	273.35	1.34	-56.24
CC(SC1=NN=CN1C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623236	0	29	-1.0	-48.38	262.30	6.34	-42.04
CC(SC1=NN=CN1C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623236	1	29	-1.0	-48.31	262.44	6.31	-42.00
COC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623237	0	34	-1.0	-53.20	293.85	5.64	-47.56
COC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623237	1	34	-1.0	-53.25	293.72	5.67	-47.58
CN(C(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL250004623238	0	29	-1.0	-52.50	274.02	4.51	-47.99
CN(C(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL250004623238	1	29	-1.0	-52.39	274.17	4.50	-47.89
CN(C(=O)CN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL250004623239	0	23	-1.0	-53.39	231.63	3.99	-49.40
CN(C(=O)CN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL250004623239	1	23	-1.0	-53.30	231.78	3.96	-49.34
CC(NC(=O)C1=COC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623240	0	30	-1.0	-40.25	262.34	2.48	-37.77
CC(NC(=O)C1=COC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623240	1	30	-1.0	-40.28	262.15	2.49	-37.79
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004623241	0	38	-1.0	-49.21	315.27	6.69	-42.52
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004623241	1	38	-1.0	-49.19	315.41	6.67	-42.52
CC1=CC(C)=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)=C1	REAL250004623242	0	39	-1.0	-49.64	306.14	8.43	-41.21
CC1=CC(C)=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)=C1	REAL250004623242	1	39	-1.0	-49.71	306.00	8.43	-41.28
CN(C(=O)C1=CN(C)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004623243	0	26	-1.0	-52.54	244.34	3.73	-48.81
CN(C(=O)C1=CN(C)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004623243	1	26	-1.0	-52.42	244.47	3.72	-48.70
CN(C(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004623244	0	32	-1.0	-49.04	285.75	7.03	-42.01
CN(C(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004623244	1	32	-1.0	-49.12	285.62	7.07	-42.05
CCOC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004623245	0	34	-1.0	-46.03	285.34	5.74	-40.29
CCOC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004623245	1	34	-1.0	-45.94	285.48	5.72	-40.22
CC1=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004623246	0	33	-1.0	-49.07	285.95	7.25	-41.82
CC1=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004623246	1	33	-1.0	-49.16	285.81	7.28	-41.88
CC1=CC(C)=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004623247	0	36	-1.0	-49.05	297.57	8.18	-40.87
CC1=CC(C)=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004623247	1	36	-1.0	-49.11	297.43	8.21	-40.90
CCC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623248	0	33	-1.0	-61.91	277.92	4.60	-57.31
CCC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623248	1	33	-1.0	-61.81	278.06	4.60	-57.21
CC(=O)NC1=C(C)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623249	0	33	-1.0	-60.97	271.56	6.70	-54.27
CC(=O)NC1=C(C)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623249	1	33	-1.0	-60.85	271.68	6.69	-54.16
CN(C(=O)CCCOCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623250	0	39	-1.0	-50.28	328.29	7.61	-42.67
CN(C(=O)CCCOCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623250	1	39	-1.0	-50.34	328.15	7.65	-42.69
CCC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004623251	0	36	-1.0	-44.45	281.06	5.11	-39.34
CCC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004623251	1	36	-1.0	-44.50	280.96	5.13	-39.37
CCC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623252	0	36	-1.0	-62.88	280.97	6.20	-56.68
CCC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623252	1	36	-1.0	-63.00	280.84	6.22	-56.78
CC1=CC=C(Cl)C(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623253	0	33	-1.0	-33.55	289.09	7.46	-26.09
CC1=CC=C(Cl)C(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623253	1	33	-1.0	-33.55	288.95	7.48	-26.07
CC(C)C1=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=CC=C1	REAL250004623254	0	39	-1.0	-34.26	310.73	8.43	-25.83
CC(C)C1=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=CC=C1	REAL250004623254	1	39	-1.0	-34.33	310.61	8.45	-25.88
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C12	REAL250004623255	0	31	-1.0	-49.75	263.49	6.89	-42.86
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C12	REAL250004623255	1	31	-1.0	-49.71	263.62	6.88	-42.83
CN(C(=O)COC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004623256	0	28	-1.0	-54.48	259.63	6.24	-48.24
CN(C(=O)COC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004623256	1	28	-1.0	-54.58	259.49	6.27	-48.31
COC1=CC=C2OC(C)=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004623257	0	33	-1.0	-51.44	288.71	5.65	-45.79
COC1=CC=C2OC(C)=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004623257	1	33	-1.0	-51.37	288.85	5.64	-45.73
CN(C(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL250004623258	0	28	-1.0	-44.29	256.12	4.88	-39.41
CN(C(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL250004623258	1	28	-1.0	-44.22	256.26	4.87	-39.35
CC(=O)NC1(C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004623259	0	36	-1.0	-61.35	274.07	4.78	-56.57
CC(=O)NC1(C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004623259	1	36	-1.0	-61.45	273.93	4.79	-56.66
CN(C(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NN=N[N-]1	REAL250004623260	0	29	-1.0	-50.49	256.45	3.30	-47.19
CN(C(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=N[N-]N=N1	REAL250004623260	1	29	-1.0	-50.39	256.59	3.31	-47.08
CC1=NN2C=CC=NC2=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623261	0	28	-1.0	-57.21	253.62	4.68	-52.53
CC1=NN2C=CC=NC2=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623261	1	28	-1.0	-57.22	253.76	4.67	-52.55
CC(C)SC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623262	0	33	-1.0	-46.67	279.72	7.30	-39.37
CC(C)SC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623262	1	33	-1.0	-46.60	279.94	7.30	-39.30
CN(C(=O)CSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004623263	0	29	-1.0	-52.43	269.28	5.52	-46.91
CN(C(=O)CSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004623263	1	29	-1.0	-52.51	269.14	5.55	-46.96
CN(C(=O)CSCC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004623264	0	29	-1.0	-51.21	269.16	5.61	-45.60
CN(C(=O)CSCC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004623264	1	29	-1.0	-51.30	269.03	5.63	-45.67
CN(C(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL250004623265	0	29	-1.0	-47.99	256.14	6.62	-41.37
CN(C(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL250004623265	1	29	-1.0	-48.09	256.00	6.63	-41.46
CN(C(=O)CCSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004623266	0	32	-1.0	-48.34	290.95	6.29	-42.05
CN(C(=O)CCSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004623266	1	32	-1.0	-48.41	290.81	6.33	-42.08
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL250004623267	0	27	-1.0	-40.95	246.29	3.94	-37.01
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL250004623267	1	27	-1.0	-40.85	246.42	3.93	-36.92
COC1=CC=C(Cl)C=C1C=CC(=O)N(C)C1=N[N-]N=N1	REAL250004623268	0	31	-1.0	-50.01	284.00	6.36	-43.65
COC1=CC=C(Cl)C=C1C=CC(=O)N(C)C1=NN=N[N-]1	REAL250004623268	1	31	-1.0	-50.07	283.85	6.36	-43.71
CN(C(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=NN=N[N-]1	REAL250004623269	0	29	-1.0	-48.50	259.79	6.31	-42.19
CN(C(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=N[N-]N=N1	REAL250004623269	1	29	-1.0	-48.42	259.93	6.30	-42.12
CC(SC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004623270	0	30	-1.0	-49.84	276.66	7.26	-42.58
CC(SC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004623270	1	30	-1.0	-49.88	276.53	7.29	-42.59
CC1=NN2C(=C1C(=O)N(C)C1=NN=N[N-]1)N=C(C)C=C2C	REAL250004623271	0	34	-1.0	-57.54	296.66	5.81	-51.73
CC1=NN2C(=C1C(=O)N(C)C1=N[N-]N=N1)N=C(C)C=C2C	REAL250004623271	1	34	-1.0	-57.45	296.82	5.81	-51.64
COC1=CC=C(SC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623272	0	34	-1.0	-47.66	293.41	6.11	-41.55
COC1=CC=C(SC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623272	1	34	-1.0	-47.73	293.27	6.13	-41.60
CN(C(=O)CCCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623273	0	33	-1.0	-50.27	297.96	6.88	-43.39
CN(C(=O)CCCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623273	1	33	-1.0	-50.39	297.82	6.92	-43.47
CN(C(=O)CC1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004623274	0	35	-1.0	-46.10	287.08	7.16	-38.94
CN(C(=O)CC1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004623274	1	35	-1.0	-46.21	286.95	7.18	-39.03
CC(C)CC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004623275	0	41	-1.0	-42.48	313.15	4.75	-37.73
CC(C)CC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004623275	1	41	-1.0	-42.56	313.02	4.77	-37.79
CC1=CC(Br)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623276	0	26	-1.0	-43.61	243.58	6.22	-37.39
CC1=CC(Br)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623276	1	26	-1.0	-43.64	243.44	6.23	-37.41
CN(C(=O)C1=CC(C(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL250004623277	0	35	-1.0	-43.79	282.29	5.21	-38.58
CN(C(=O)C1=CC(C(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL250004623277	1	35	-1.0	-43.69	282.44	5.21	-38.48
CC(=O)NC1=CC(F)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623278	0	30	-1.0	-44.09	267.16	4.20	-39.89
CC(=O)NC1=CC(F)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623278	1	30	-1.0	-44.00	267.30	4.19	-39.81
COC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623279	0	31	-1.0	-53.83	268.27	5.15	-48.68
COC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623279	1	31	-1.0	-53.92	268.14	5.17	-48.75
CN(C(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=NN=N[N-]1	REAL250004623280	0	35	-1.0	-52.67	285.63	4.40	-48.27
CN(C(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=N[N-]N=N1	REAL250004623280	1	35	-1.0	-52.55	285.77	4.38	-48.17
CN(C(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004623281	0	31	-1.0	-45.77	282.43	6.74	-39.03
CN(C(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004623281	1	31	-1.0	-45.85	282.30	6.78	-39.07
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004623282	0	31	-1.0	-47.54	271.49	5.36	-42.18
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004623282	1	31	-1.0	-47.46	271.61	5.36	-42.10
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL250004623283	0	26	-1.0	-31.75	240.22	4.39	-27.36
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL250004623283	1	26	-1.0	-31.70	240.35	4.37	-27.33
CC(C)SC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623284	0	33	-1.0	-53.13	280.24	7.32	-45.81
CC(C)SC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623284	1	33	-1.0	-53.02	280.37	7.31	-45.71
CN(C(=O)C1=C2NC=NC2=CC(F)=C1)C1=NN=N[N-]1	REAL250004623285	0	26	-1.0	-44.19	237.26	4.67	-39.52
CN(C(=O)C1=C2NC=NC2=CC(F)=C1)C1=N[N-]N=N1	REAL250004623285	1	26	-1.0	-44.16	237.38	4.66	-39.50
CCC1=NOC(CCCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623286	0	33	-1.0	-54.29	285.81	3.77	-50.52
CCC1=NOC(CCCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623286	1	33	-1.0	-54.43	285.68	3.79	-50.64
CCCC1=NOC(CCCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623287	0	36	-1.0	-54.21	307.31	4.54	-49.67
CCCC1=NOC(CCCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623287	1	36	-1.0	-54.33	307.18	4.56	-49.77
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004623288	0	35	-1.0	-49.05	293.77	5.90	-43.15
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004623288	1	35	-1.0	-48.95	293.91	5.89	-43.06
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL250004623289	0	35	-1.0	-45.82	297.30	6.47	-39.35
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL250004623289	1	35	-1.0	-45.79	297.45	6.42	-39.37
CN(C(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623290	0	34	-1.0	-58.49	298.37	4.14	-54.35
CN(C(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623290	1	34	-1.0	-58.39	298.51	4.11	-54.28
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004623291	0	25	-1.0	-46.53	238.61	5.67	-40.86
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004623291	1	25	-1.0	-46.49	238.74	5.67	-40.82
CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1=N[N-]N=N1	REAL250004623292	0	33	-1.0	-57.08	273.79	0.73	-56.35
CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1=NN=N[N-]1	REAL250004623292	1	33	-1.0	-57.08	273.65	0.75	-56.33
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCCCC2)=C1	REAL250004623293	0	42	-1.0	-51.34	309.85	8.69	-42.65
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCCCC2)=C1	REAL250004623293	1	42	-1.0	-51.41	309.71	8.70	-42.71
CC(C(=O)N(C)CC(=O)N(C)C1=NN=N[N-]1)N1C=CC=N1	REAL250004623294	0	36	-1.0	-52.43	300.82	4.25	-48.18
CC(C(=O)N(C)CC(=O)N(C)C1=N[N-]N=N1)N1C=CC=N1	REAL250004623294	1	36	-1.0	-52.43	300.95	4.23	-48.20
CN(C(=O)CCN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004623295	0	26	-1.0	-44.29	249.19	4.48	-39.81
CN(C(=O)CCN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004623295	1	26	-1.0	-44.24	249.32	4.44	-39.80
CN(C(=O)C1=NOC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004623296	0	31	-1.0	-41.02	270.95	5.92	-35.10
CN(C(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004623296	1	31	-1.0	-41.09	270.81	5.93	-35.16
CCC(=O)NC(CCSC)C(=O)N(C)C1=N[N-]N=N1	REAL250004623297	0	36	-1.0	-59.76	304.30	5.26	-54.50
CCC(=O)NC(CCSC)C(=O)N(C)C1=NN=N[N-]1	REAL250004623297	1	36	-1.0	-59.80	304.17	5.27	-54.53
CC(C)OC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004623298	0	32	-1.0	-43.08	287.21	3.94	-39.14
CC(C)OC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004623298	1	32	-1.0	-43.01	287.35	3.94	-39.07
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623299	0	32	-1.0	-48.71	269.51	7.37	-41.34
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623299	1	32	-1.0	-48.83	269.38	7.39	-41.44
CN(C(=O)CCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004623300	0	35	-1.0	-47.51	297.38	9.04	-38.47
CN(C(=O)CCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004623300	1	35	-1.0	-47.60	297.24	9.06	-38.54
CN(C(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=NN=N[N-]1	REAL250004623301	0	27	-1.0	-50.66	253.77	4.75	-45.91
CN(C(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=N[N-]N=N1	REAL250004623301	1	27	-1.0	-50.61	253.91	4.75	-45.86
CC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623302	0	33	-1.0	-62.32	258.52	5.45	-56.87
CC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623302	1	33	-1.0	-62.37	258.39	5.46	-56.91
CN(C(=O)CNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL250004623303	0	38	-1.0	-44.73	307.12	2.83	-41.90
CN(C(=O)CNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL250004623303	1	38	-1.0	-44.79	306.99	2.86	-41.93
CN(C(=O)C1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623304	0	28	-1.0	-51.55	243.05	5.39	-46.16
CN(C(=O)C1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623304	1	28	-1.0	-51.46	243.19	5.37	-46.09
CCCC(C)N1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004623305	0	39	-1.0	-46.93	310.31	6.22	-40.71
CCCC(C)N1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004623305	1	39	-1.0	-46.99	310.19	6.25	-40.74
CN(C(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004623306	0	28	-1.0	-55.19	257.36	6.14	-49.05
CN(C(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004623306	1	28	-1.0	-55.10	257.51	6.13	-48.97
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL250004623307	0	35	-1.0	-45.60	295.76	6.44	-39.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL250004623307	1	35	-1.0	-45.50	295.90	6.42	-39.08
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004623308	0	32	-1.0	-46.02	274.31	5.76	-40.26
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004623308	1	32	-1.0	-45.93	274.45	5.74	-40.19
CC(C)C(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623309	0	39	-1.0	-63.77	297.49	6.55	-57.22
CC(C)C(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623309	1	39	-1.0	-63.84	297.35	6.56	-57.28
CCCC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004623310	0	39	-1.0	-54.95	303.13	5.58	-49.37
CCCC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004623310	1	39	-1.0	-55.03	302.99	5.60	-49.43
CN(C(=O)C1=CC(F)=CC2=NC=CN=C12)C1=NN=N[N-]1	REAL250004623311	0	27	-1.0	-50.93	242.01	3.76	-47.17
CN(C(=O)C1=CC(F)=CC2=NC=CN=C12)C1=N[N-]N=N1	REAL250004623311	1	27	-1.0	-50.90	242.15	3.76	-47.14
CC1=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623312	0	23	-1.0	-48.82	225.60	3.21	-45.61
CC1=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623312	1	23	-1.0	-48.87	225.45	3.22	-45.65
CN(C(=O)CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004623313	0	29	-1.0	-52.93	257.61	6.53	-46.40
CN(C(=O)CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004623313	1	29	-1.0	-52.83	257.74	6.50	-46.33
CN(C(=O)CSC1=NN=CS1)C1=NN=N[N-]1	REAL250004623314	0	22	-1.0	-46.02	231.43	2.79	-43.23
CN(C(=O)CSC1=NN=CS1)C1=N[N-]N=N1	REAL250004623314	1	22	-1.0	-45.95	231.56	2.76	-43.19
CN(C(=O)C=CC1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004623315	0	32	-1.0	-50.64	279.93	6.84	-43.80
CN(C(=O)C=CC1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004623315	1	32	-1.0	-50.55	280.07	6.83	-43.72
CCC1=NOC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004623316	0	30	-1.0	-42.45	261.56	2.99	-39.46
CCC1=NOC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004623316	1	30	-1.0	-42.34	261.71	3.00	-39.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL250004623317	0	29	-1.0	-44.38	260.01	6.91	-37.47
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL250004623317	1	29	-1.0	-44.28	260.16	6.91	-37.37
CN(C(=O)CNC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004623318	0	35	-1.0	-42.98	282.02	3.32	-39.66
CN(C(=O)CNC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004623318	1	35	-1.0	-43.02	281.88	3.34	-39.68
CN(C(=O)CSCC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004623319	0	29	-1.0	-51.83	268.99	5.61	-46.22
CN(C(=O)CSCC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004623319	1	29	-1.0	-51.73	269.12	5.58	-46.15
CN(C(=O)CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004623320	0	29	-1.0	-51.34	255.93	4.63	-46.71
CN(C(=O)CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004623320	1	29	-1.0	-51.45	255.80	4.66	-46.79
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004623321	0	29	-1.0	-48.03	259.77	6.12	-41.91
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004623321	1	29	-1.0	-47.93	259.91	6.13	-41.80
COC1=CC=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623322	0	33	-1.0	-48.35	270.36	5.51	-42.84
COC1=CC=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623322	1	33	-1.0	-48.44	270.22	5.54	-42.90
CCSCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623323	0	33	-1.0	-48.79	289.21	7.67	-41.12
CCSCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623323	1	33	-1.0	-48.76	289.35	7.67	-41.09
COC(=O)COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623324	0	33	-1.0	-58.82	287.21	5.82	-53.00
COC(=O)COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623324	1	33	-1.0	-58.87	287.07	5.81	-53.06
COC(=O)COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623325	0	33	-1.0	-53.33	287.55	5.83	-47.50
COC(=O)COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623325	1	33	-1.0	-53.42	287.40	5.83	-47.59
CN(C(=O)C1=CC2=C(C=CS2)S1)C1=NN=N[N-]1	REAL250004623326	0	23	-1.0	-45.94	229.38	5.31	-40.63
CN(C(=O)C1=CC2=C(C=CS2)S1)C1=N[N-]N=N1	REAL250004623326	1	23	-1.0	-45.85	229.53	5.31	-40.54
CC1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004623327	0	28	-1.0	-44.98	264.41	4.17	-40.81
CC1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004623327	1	28	-1.0	-44.87	264.55	4.18	-40.69
CSC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004623328	0	30	-1.0	-54.77	273.12	7.45	-47.32
CSC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004623328	1	30	-1.0	-54.67	273.27	7.43	-47.24
CN(C(=O)CCNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL250004623329	0	30	-1.0	-51.64	282.93	2.08	-49.56
CN(C(=O)CCNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL250004623329	1	30	-1.0	-51.67	282.80	2.11	-49.56
CN(C(=O)CCCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004623330	0	33	-1.0	-55.12	287.46	6.45	-48.67
CN(C(=O)CCCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004623330	1	33	-1.0	-55.24	287.32	6.47	-48.77
CN(C(=O)C1=CC=C(NC2CC2)N=C1)C1=NN=N[N-]1	REAL250004623331	0	31	-1.0	-47.95	263.34	4.48	-43.47
CN(C(=O)C1=CC=C(NC2CC2)N=C1)C1=N[N-]N=N1	REAL250004623331	1	31	-1.0	-47.85	263.48	4.45	-43.40
CN(C(=O)CCSC1=NN=NN1C)C1=NN=N[N-]1	REAL250004623332	0	28	-1.0	-55.87	264.62	3.40	-52.47
CN(C(=O)CCSC1=NN=NN1C)C1=N[N-]N=N1	REAL250004623332	1	28	-1.0	-55.82	264.76	3.37	-52.45
CN(C(=O)CCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623333	0	33	-1.0	-45.97	285.29	6.07	-39.90
CN(C(=O)CCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623333	1	33	-1.0	-46.00	285.16	6.10	-39.90
CC(=O)NCC(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004623334	0	30	-1.0	-47.47	267.50	-0.89	-48.36
CC(=O)NCC(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004623334	1	30	-1.0	-47.50	267.37	-0.86	-48.36
CCNC(=O)NC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004623335	0	38	-1.0	-62.47	298.13	3.12	-59.35
CCNC(=O)NC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004623335	1	38	-1.0	-62.53	298.00	3.13	-59.40
CC(SC1=NN=NN1C1CC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623336	0	32	-1.0	-44.32	288.35	4.79	-39.53
CC(SC1=NN=NN1C1CC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623336	1	32	-1.0	-44.25	288.48	4.77	-39.48
CCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623337	0	33	-1.0	-50.54	293.36	7.03	-43.51
CCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623337	1	33	-1.0	-50.48	293.50	7.02	-43.46
C=CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623338	0	34	-1.0	-51.09	295.96	4.44	-46.65
C=CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623338	1	34	-1.0	-50.98	296.10	4.45	-46.53
CN(C(=O)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623339	0	30	-1.0	-51.59	262.90	7.41	-44.18
CN(C(=O)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623339	1	30	-1.0	-51.50	263.03	7.39	-44.11
CN(C(=O)CCCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004623340	0	33	-1.0	-52.49	287.65	6.43	-46.06
CN(C(=O)CCCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004623340	1	33	-1.0	-52.57	287.51	6.46	-46.11
CCN1C(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004623341	0	33	-1.0	-46.68	273.07	7.44	-39.24
CCN1C(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004623341	1	33	-1.0	-46.57	273.22	7.41	-39.16
CC(NC(=O)C1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623342	0	39	-1.0	-36.39	303.85	4.84	-31.55
CC(NC(=O)C1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623342	1	39	-1.0	-36.45	303.70	4.86	-31.59
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004623343	0	29	-1.0	-44.96	254.81	6.49	-38.47
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004623343	1	29	-1.0	-44.90	254.95	6.48	-38.42
CN(C(=O)C1=CC=CN1CC1=CC=CS1)C1=NN=N[N-]1	REAL250004623344	0	31	-1.0	-50.14	273.44	7.40	-42.74
CN(C(=O)C1=CC=CN1CC1=CC=CS1)C1=N[N-]N=N1	REAL250004623344	1	31	-1.0	-50.05	273.58	7.41	-42.64
CN(C(=O)C1=CC2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004623345	0	30	-1.0	-46.68	251.22	6.50	-40.18
CN(C(=O)C1=CC2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004623345	1	30	-1.0	-46.64	251.36	6.49	-40.15
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL250004623346	0	37	-1.0	-47.30	314.07	8.08	-39.22
CN(C(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL250004623346	1	37	-1.0	-47.38	313.94	8.11	-39.27
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004623347	0	32	-1.0	-45.73	271.10	7.26	-38.47
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004623347	1	32	-1.0	-45.85	270.96	7.28	-38.57
CC1=CNC(=O)N1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623348	0	34	-1.0	-53.65	294.76	5.79	-47.86
CC1=CNC(=O)N1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623348	1	34	-1.0	-53.59	294.89	5.79	-47.80
CN(C(=O)CNC(=O)NCC1=CC=CO1)C1=N[N-]N=N1	REAL250004623349	0	32	-1.0	-45.86	285.52	1.25	-44.61
CN(C(=O)CNC(=O)NCC1=CC=CO1)C1=NN=N[N-]1	REAL250004623349	1	32	-1.0	-45.93	285.38	1.28	-44.65
CCCC(=O)N1CCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623350	0	36	-1.0	-60.54	287.17	6.08	-54.46
CCCC(=O)N1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623350	1	36	-1.0	-60.64	287.03	6.08	-54.56
CN(C(=O)C1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004623351	0	31	-1.0	-45.79	268.67	4.63	-41.16
CN(C(=O)C1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004623351	1	31	-1.0	-45.68	268.82	4.61	-41.07
COC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623352	0	29	-1.0	-58.56	261.05	5.79	-52.77
COC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623352	1	29	-1.0	-58.47	261.18	5.79	-52.68
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=NN=N[N-]1	REAL250004623353	0	30	-1.0	-52.27	270.00	6.84	-45.43
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=N[N-]N=N1	REAL250004623353	1	30	-1.0	-52.19	270.15	6.83	-45.36
CN(C(=O)CN1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623354	0	32	-1.0	-47.10	264.23	5.16	-41.94
CN(C(=O)CN1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623354	1	32	-1.0	-47.15	264.10	5.19	-41.96
CN(C(=O)C1CCCN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623355	0	38	-1.0	-50.26	296.02	5.43	-44.83
CN(C(=O)C1CCCN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623355	1	38	-1.0	-50.38	295.89	5.45	-44.93
CN(C(=O)CNC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004623356	0	28	-1.0	-48.07	257.14	4.81	-43.26
CN(C(=O)CNC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004623356	1	28	-1.0	-48.15	257.00	4.83	-43.32
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004623357	0	35	-1.0	-58.35	301.09	6.19	-52.16
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004623357	1	35	-1.0	-58.37	300.95	6.22	-52.15
COC1=CC=C(N2C=CC(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL250004623358	0	34	-1.0	-50.32	293.07	6.07	-44.25
COC1=CC=C(N2C=CC(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL250004623358	1	34	-1.0	-50.26	293.21	6.06	-44.20
CC1=CC=CC(OCCCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623359	0	39	-1.0	-48.86	324.14	7.83	-41.03
CC1=CC=CC(OCCCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623359	1	39	-1.0	-48.93	324.00	7.85	-41.08
CC(OC1=CC=CC(C#N)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623360	0	31	-1.0	-31.59	271.35	6.91	-24.68
CC(OC1=CC=CC(C#N)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623360	1	31	-1.0	-31.59	271.23	6.92	-24.67
CN(C(=O)COC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004623361	0	31	-1.0	-57.11	273.23	2.65	-54.46
CN(C(=O)COC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004623361	1	31	-1.0	-57.26	273.09	2.67	-54.59
CN(C(=O)C1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623362	0	28	-1.0	-52.66	249.51	5.39	-47.27
CN(C(=O)C1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623362	1	28	-1.0	-52.62	249.65	5.38	-47.24
CN(C(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004623363	0	25	-1.0	-56.15	235.37	6.51	-49.64
CN(C(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004623363	1	25	-1.0	-56.06	235.52	6.51	-49.55
CN(C(=O)C1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004623364	0	28	-1.0	-49.04	244.26	5.29	-43.75
CN(C(=O)C1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004623364	1	28	-1.0	-48.95	244.40	5.30	-43.65
CN(C(=O)C1=CC=CC=C1OCC#N)C1=NN=N[N-]1	REAL250004623365	0	28	-1.0	-61.14	250.05	6.01	-55.13
CN(C(=O)C1=CC=CC=C1OCC#N)C1=N[N-]N=N1	REAL250004623365	1	28	-1.0	-61.07	250.19	6.01	-55.06
CN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004623366	0	42	-1.0	-54.79	311.33	5.47	-49.32
CN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004623366	1	42	-1.0	-54.90	311.19	5.50	-49.40
CCOC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623367	0	29	-1.0	-46.34	263.45	4.54	-41.80
CCOC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623367	1	29	-1.0	-46.30	263.58	4.53	-41.77
CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004623368	0	39	-1.0	-41.52	299.22	4.04	-37.48
CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004623368	1	39	-1.0	-41.56	299.09	4.05	-37.51
C=CCOC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623369	0	30	-1.0	-46.33	276.35	5.11	-41.22
C=CCOC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623369	1	30	-1.0	-46.26	276.49	5.10	-41.16
CN(C(=O)C1=CC=C(OCC2CC2)C=C1)C1=NN=N[N-]1	REAL250004623370	0	34	-1.0	-47.51	285.06	6.74	-40.77
CN(C(=O)C1=CC=C(OCC2CC2)C=C1)C1=N[N-]N=N1	REAL250004623370	1	34	-1.0	-47.38	285.21	6.73	-40.65
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL250004623371	0	35	-1.0	-45.95	288.11	7.60	-38.35
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL250004623371	1	35	-1.0	-45.82	288.25	7.60	-38.22
CCCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623372	0	46	-1.0	-46.86	363.34	10.00	-36.86
CCCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623372	1	46	-1.0	-46.97	363.21	10.03	-36.94
CN(C(=O)C1=CC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL250004623373	0	24	-1.0	-56.44	228.09	0.60	-55.84
CN(C(=O)C1=CC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL250004623373	1	24	-1.0	-56.35	228.24	0.60	-55.75
COCCOC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623374	0	33	-1.0	-56.53	286.30	2.49	-54.04
COCCOC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623374	1	33	-1.0	-56.43	286.44	2.48	-53.95
CCN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623375	0	34	-1.0	-49.72	277.28	7.01	-42.71
CCN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623375	1	34	-1.0	-49.79	277.15	7.03	-42.76
CN(C(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004623376	0	32	-1.0	-56.13	273.37	4.46	-51.67
CN(C(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004623376	1	32	-1.0	-56.00	273.49	4.45	-51.55
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC#N	REAL250004623377	0	30	-1.0	-50.23	265.83	4.52	-45.71
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC#N	REAL250004623377	1	30	-1.0	-50.28	265.68	4.53	-45.75
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623379	0	33	-1.0	-50.95	278.15	6.72	-44.23
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623379	1	33	-1.0	-50.88	278.28	6.70	-44.18
CN(C(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004623380	0	30	-1.0	-58.41	265.66	5.10	-53.31
CN(C(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004623380	1	30	-1.0	-58.51	265.53	5.13	-53.38
CN(C(=O)C1=CC=C2NC(=O)OC2=C1)C1=NN=N[N-]1	REAL250004623381	0	26	-1.0	-51.47	233.86	2.42	-49.05
CN(C(=O)C1=CC=C2NC(=O)OC2=C1)C1=N[N-]N=N1	REAL250004623381	1	26	-1.0	-51.38	234.00	2.43	-48.95
CC(C)OC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623382	0	33	-1.0	-50.50	288.97	7.10	-43.40
CC(C)OC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623382	1	33	-1.0	-50.45	289.12	7.09	-43.36
CCC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623383	0	28	-1.0	-53.02	256.78	4.60	-48.42
CCC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623383	1	28	-1.0	-53.06	256.65	4.63	-48.43
CC(=O)NC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623384	0	30	-1.0	-53.23	262.29	3.85	-49.38
CC(=O)NC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623384	1	30	-1.0	-53.14	262.42	3.84	-49.30
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004623385	0	30	-1.0	-56.06	263.58	3.93	-52.13
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004623385	1	30	-1.0	-55.92	263.73	3.93	-51.99
CC1=NOC(Cl)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623386	0	28	-1.0	-44.73	264.02	5.36	-39.37
CC1=NOC(Cl)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623386	1	28	-1.0	-44.80	263.88	5.39	-39.41
COCCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623387	0	34	-1.0	-57.52	284.32	5.49	-52.03
COCCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623387	1	34	-1.0	-57.43	284.46	5.48	-51.95
COCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623388	0	34	-1.0	-53.96	287.06	4.40	-49.56
COCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623388	1	34	-1.0	-53.88	287.20	4.41	-49.47
CCSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004623389	0	29	-1.0	-46.76	262.77	5.21	-41.55
CCSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004623389	1	29	-1.0	-46.70	262.91	5.19	-41.51
CN(C(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623390	0	33	-1.0	-56.35	292.74	4.48	-51.87
CN(C(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623390	1	33	-1.0	-56.42	292.61	4.51	-51.91
CCOC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623391	0	36	-1.0	-47.13	302.62	7.01	-40.12
CCOC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623391	1	36	-1.0	-47.25	302.48	7.03	-40.22
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004623392	0	33	-1.0	-50.84	275.22	7.53	-43.31
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004623392	1	33	-1.0	-50.75	275.36	7.50	-43.25
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL250004623393	0	32	-1.0	-45.73	272.56	7.17	-38.56
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL250004623393	1	32	-1.0	-45.70	272.70	7.16	-38.54
CN(C(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004623394	0	30	-1.0	-51.11	279.73	7.90	-43.21
CN(C(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004623394	1	30	-1.0	-51.18	279.60	7.92	-43.26
CN(C(=O)CCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004623395	0	29	-1.0	-46.85	263.12	6.87	-39.98
CN(C(=O)CCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004623395	1	29	-1.0	-46.89	262.99	6.90	-39.99
CC1=C(C)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)S1	REAL250004623396	0	29	-1.0	-53.48	261.89	4.65	-48.83
CC1=C(C)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)S1	REAL250004623396	1	29	-1.0	-53.60	261.76	4.68	-48.92
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004623397	0	26	-1.0	-46.93	240.24	4.29	-42.64
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004623397	1	26	-1.0	-46.82	240.38	4.29	-42.53
CC(C)NC(=O)CN(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623398	0	37	-1.0	-58.57	301.24	1.52	-57.05
CC(C)NC(=O)CN(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623398	1	37	-1.0	-58.61	301.10	1.54	-57.07
CC(C)OC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623399	0	32	-1.0	-47.68	295.02	3.99	-43.69
CC(C)OC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623399	1	32	-1.0	-47.61	295.16	3.98	-43.63
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623400	0	26	-1.0	-39.63	243.28	5.99	-33.64
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623400	1	26	-1.0	-39.70	243.14	6.03	-33.67
COC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004623401	0	32	-1.0	-48.69	274.00	5.43	-43.26
COC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004623401	1	32	-1.0	-48.60	274.15	5.41	-43.19
CN(C(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=NN=N[N-]1	REAL250004623402	0	32	-1.0	-62.90	283.60	3.83	-59.07
CN(C(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=N[N-]N=N1	REAL250004623402	1	32	-1.0	-62.83	283.74	3.82	-59.01
COCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623403	0	26	-1.0	-48.74	245.49	2.62	-46.12
COCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623403	1	26	-1.0	-48.79	245.35	2.63	-46.16
CN(C(=O)C(C1=CC=CC=C1)N1C=CC=N1)C1=NN=N[N-]1	REAL250004623404	0	33	-1.0	-44.02	282.06	6.92	-37.10
CN(C(=O)C(C1=CC=CC=C1)N1C=CC=N1)C1=N[N-]N=N1	REAL250004623404	1	33	-1.0	-44.00	282.19	6.90	-37.10
CN(CC(=O)N(C)C1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004623405	0	34	-1.0	-48.68	280.32	4.99	-43.69
CN(CC(=O)N(C)C1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004623405	1	34	-1.0	-48.76	280.19	5.02	-43.74
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004623406	0	28	-1.0	-49.41	252.59	6.25	-43.16
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004623406	1	28	-1.0	-49.34	252.73	6.27	-43.07
CCCCN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623407	0	40	-1.0	-49.30	317.73	7.80	-41.50
CCCCN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623407	1	40	-1.0	-49.19	317.87	7.79	-41.40
CCCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623408	0	40	-1.0	-49.27	318.53	7.96	-41.31
CCCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623408	1	40	-1.0	-49.17	318.67	7.96	-41.21
CN(C(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL250004623409	0	28	-1.0	-52.87	264.91	4.88	-47.99
CN(C(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL250004623409	1	28	-1.0	-52.75	265.05	4.86	-47.89
CN(C(=O)CNC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004623410	0	29	-1.0	-47.11	263.50	4.64	-42.47
CN(C(=O)CNC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004623410	1	29	-1.0	-47.22	263.36	4.66	-42.56
CC1=NN(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004623411	0	33	-1.0	-58.91	283.31	6.70	-52.21
CC1=NN(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004623411	1	33	-1.0	-58.82	283.45	6.71	-52.11
CN(C(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004623412	0	31	-1.0	-44.49	270.89	6.13	-38.36
CN(C(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004623412	1	31	-1.0	-44.43	271.03	6.14	-38.29
CN(C(=O)CC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004623413	0	29	-1.0	-52.64	256.62	4.56	-48.08
CN(C(=O)CC1=NNC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623413	1	29	-1.0	-52.38	256.82	4.57	-47.81
CN(C(=O)CC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004623413	1	29	-1.0	-52.54	256.75	4.53	-48.01
CN(C(=O)CC1=NNC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623413	1	29	-1.0	-52.31	256.95	4.54	-47.77
CN(C(=O)C1=CN(C)N=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004623414	0	32	-1.0	-52.73	277.35	4.42	-48.31
CN(C(=O)C1=CN(C)N=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004623414	1	32	-1.0	-52.63	277.52	4.40	-48.23
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1CC(C)OC(C)C1	REAL250004623415	0	44	-1.0	-50.30	324.78	3.80	-46.50
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1CC(C)OC(C)C1	REAL250004623415	1	44	-1.0	-50.36	324.65	3.82	-46.54
COC(=O)NC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623416	0	36	-1.0	-32.44	275.33	2.61	-29.83
COC(=O)NC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623416	1	36	-1.0	-32.53	275.21	2.63	-29.90
CCCN1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623417	1	37	-1.0	-47.96	279.88	4.24	-43.72
CCCN1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623417	1	37	-1.0	-48.06	279.75	4.25	-43.81
CN(C(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004623420	0	33	-1.0	-48.93	287.12	6.02	-42.91
CN(C(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004623420	1	33	-1.0	-48.84	287.26	6.02	-42.82
CN(C(=O)CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004623421	0	33	-1.0	-52.80	284.08	7.78	-45.02
CN(C(=O)CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004623421	1	33	-1.0	-52.69	284.21	7.74	-44.95
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004623422	0	26	-1.0	-45.29	247.40	5.97	-39.32
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004623422	1	26	-1.0	-45.41	247.27	5.97	-39.44
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623423	0	33	-1.0	-51.81	278.99	6.80	-45.01
CC(OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623423	1	33	-1.0	-51.87	278.86	6.82	-45.05
CCS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623424	0	32	-1.0	-51.78	283.89	3.34	-48.44
CCS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623424	1	32	-1.0	-51.87	283.74	3.33	-48.54
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623425	0	36	-1.0	-34.65	289.22	2.75	-31.90
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623425	1	36	-1.0	-34.70	289.05	2.76	-31.94
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004623426	0	40	-1.0	-58.40	316.31	5.47	-52.93
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004623426	1	40	-1.0	-58.51	316.18	5.50	-53.01
CN(C(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004623427	0	33	-1.0	-44.13	274.24	2.06	-42.07
CN(C(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004623427	1	33	-1.0	-44.22	274.10	2.09	-42.13
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623428	0	36	-1.0	-44.02	288.88	2.69	-41.33
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623428	1	36	-1.0	-44.10	288.74	2.71	-41.39
CN(C(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL250004623429	0	30	-1.0	-50.36	264.75	6.27	-44.09
CN(C(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL250004623429	1	30	-1.0	-50.29	264.89	6.25	-44.04
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004623430	0	30	-1.0	-45.17	265.22	7.35	-37.82
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004623430	1	30	-1.0	-45.05	265.36	7.35	-37.70
CN(C(=O)CNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623431	0	34	-1.0	-45.13	301.13	4.01	-41.12
CN(C(=O)CNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623431	1	34	-1.0	-45.25	300.99	4.04	-41.21
CN(C(=O)CC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623432	0	35	-1.0	-45.54	275.25	7.53	-38.01
CN(C(=O)CC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623432	1	35	-1.0	-45.63	275.12	7.56	-38.07
CCCCC(NC(N)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004623433	0	34	-1.0	-57.86	274.92	1.82	-56.04
CCCCC(NC(N)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004623433	1	34	-1.0	-57.95	274.78	1.84	-56.11
CN(C(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004623434	0	31	-1.0	-54.19	270.81	7.15	-47.04
CN(C(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004623434	1	31	-1.0	-54.27	270.67	7.18	-47.09
CC1=NN(C(F)F)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004623435	0	32	-1.0	-50.93	283.83	4.88	-46.05
CC1=NN(C(F)F)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004623435	1	32	-1.0	-51.03	283.70	4.92	-46.11
CN(C(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004623436	0	28	-1.0	-46.26	262.30	4.69	-41.57
CN(C(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004623436	1	28	-1.0	-46.17	262.43	4.65	-41.52
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623437	0	31	-1.0	-49.70	281.98	6.97	-42.73
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623437	1	31	-1.0	-49.76	281.84	7.01	-42.75
CCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623438	0	36	-1.0	-47.38	294.30	6.55	-40.83
CCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623438	1	36	-1.0	-47.53	294.16	6.56	-40.97
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=NN=N[N-]1	REAL250004623439	0	30	-1.0	-51.06	260.09	3.76	-47.30
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=N[N-]N=N1	REAL250004623439	1	30	-1.0	-50.96	260.23	3.77	-47.19
CN(C)C(=O)CN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004623440	0	32	-1.0	-56.66	279.99	2.38	-54.28
CN(C)C(=O)CN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004623440	1	32	-1.0	-56.55	280.13	2.36	-54.19
CN(C(=O)COC1=CC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004623441	0	28	-1.0	-54.30	275.61	6.78	-47.52
CN(C(=O)COC1=CC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004623441	1	28	-1.0	-54.37	275.47	6.80	-47.57
CN(C(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623442	0	26	-1.0	-41.11	253.62	6.43	-34.68
CN(C(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623442	1	26	-1.0	-41.13	253.49	6.47	-34.66
CC(C)OC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623443	0	36	-1.0	-49.92	299.15	6.81	-43.11
CC(C)OC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623443	1	36	-1.0	-49.99	299.02	6.85	-43.14
CN(C(=O)COCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623444	0	33	-1.0	-50.16	285.84	7.12	-43.04
CN(C(=O)COCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623444	1	33	-1.0	-50.27	285.70	7.15	-43.12
CN(C(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004623445	0	31	-1.0	-59.10	280.02	0.56	-58.54
CN(C(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004623445	1	31	-1.0	-59.17	279.88	0.55	-58.62
CC(OCC1CCCO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623446	0	34	-1.0	-55.45	276.18	4.22	-51.23
CC(OCC1CCCO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623446	1	34	-1.0	-55.50	276.05	4.25	-51.25
CC(C)CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623447	0	31	-1.0	-47.55	271.18	5.62	-41.93
CC(C)CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623447	1	31	-1.0	-47.68	271.03	5.65	-42.03
CC1=CC=C(CCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623448	0	38	-1.0	-47.81	315.67	9.01	-38.80
CC1=CC=C(CCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623448	1	38	-1.0	-47.89	315.53	9.05	-38.84
CC1=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623449	0	25	-1.0	-54.82	236.93	3.45	-51.37
CC1=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623449	1	25	-1.0	-54.79	237.07	3.43	-51.36
CN(C(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL250004623450	0	29	-1.0	-50.92	271.50	6.54	-44.38
CN(C(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL250004623450	1	29	-1.0	-51.02	271.36	6.57	-44.45
CN(C(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004623451	0	29	-1.0	-56.41	271.03	7.12	-49.29
CN(C(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004623451	1	29	-1.0	-56.48	270.88	7.11	-49.37
COC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)COC2=C1	REAL250004623452	0	35	-1.0	-45.11	284.48	4.83	-40.28
COC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)COC2=C1	REAL250004623452	1	35	-1.0	-45.18	284.34	4.86	-40.32
CN(C(=O)C1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004623453	0	26	-1.0	-47.80	241.28	5.13	-42.67
CN(C(=O)C1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004623453	1	26	-1.0	-47.85	241.13	5.16	-42.69
CN(C(=O)CCCOC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004623454	0	33	-1.0	-53.84	293.87	6.50	-47.34
CN(C(=O)CCCOC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004623454	1	33	-1.0	-53.93	293.74	6.53	-47.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL250004623455	0	34	-1.0	-44.53	286.31	5.16	-39.37
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL250004623455	1	34	-1.0	-44.62	286.16	5.18	-39.44
CN(C(=O)C1(C(=O)NC2CC2)CC1)C1=N[N-]N=N1	REAL250004623456	0	31	-1.0	-42.36	269.41	3.28	-39.08
CN(C(=O)C1(C(=O)NC2CC2)CC1)C1=NN=N[N-]1	REAL250004623456	1	31	-1.0	-42.43	269.27	3.31	-39.12
CC1=NN=C2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CN12	REAL250004623457	0	28	-1.0	-45.32	252.96	6.24	-39.08
CC1=NN=C2C=CC(C(=O)N(C)C3=N[N-]N=N3)=CN12	REAL250004623457	1	28	-1.0	-45.25	253.11	6.23	-39.02
CC1=CN(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL250004623458	0	33	-1.0	-51.80	284.81	8.09	-43.71
CC1=CN(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL250004623458	1	33	-1.0	-51.73	284.94	8.07	-43.66
CN(C(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL250004623459	0	29	-1.0	-63.21	264.34	5.65	-57.56
CN(C(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL250004623459	1	29	-1.0	-63.06	264.49	5.63	-57.43
CN(C(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=NN=N[N-]1	REAL250004623460	0	28	-1.0	-59.16	266.35	-1.77	-60.93
CN(C(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=N[N-]N=N1	REAL250004623460	1	28	-1.0	-59.04	266.49	-1.79	-60.83
CN(C(=O)CSCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623461	0	32	-1.0	-58.50	294.35	7.22	-51.28
CN(C(=O)CSCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623461	1	32	-1.0	-58.57	294.21	7.25	-51.32
CCN1C=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004623462	0	36	-1.0	-52.29	305.93	8.69	-43.60
CCN1C=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004623462	1	36	-1.0	-52.25	306.07	8.65	-43.60
CN(C(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004623463	0	33	-1.0	-54.48	285.88	6.06	-48.42
CN(C(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004623463	1	33	-1.0	-54.40	286.07	6.05	-48.35
CN(C(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=N[N-]N=N1	REAL250004623464	0	30	-1.0	-54.45	277.58	2.51	-51.94
CN(C(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=NN=N[N-]1	REAL250004623464	1	30	-1.0	-54.52	277.45	2.54	-51.98
CC(OCC1CCCCO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623465	0	37	-1.0	-34.06	293.05	5.16	-28.90
CC(OCC1CCCCO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623465	1	37	-1.0	-34.11	292.91	5.19	-28.92
CC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004623466	0	29	-1.0	-45.34	254.85	6.48	-38.86
CC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004623466	1	29	-1.0	-45.26	254.99	6.46	-38.80
CC(=O)C1=CC=CC(OC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623467	0	35	-1.0	-38.04	291.00	6.91	-31.13
CC(=O)C1=CC=CC(OC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623467	1	35	-1.0	-38.06	290.88	6.93	-31.13
CC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623468	0	35	-1.0	-47.21	262.39	6.60	-40.61
CC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623468	1	35	-1.0	-47.09	262.53	6.59	-40.50
COC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623469	0	36	-1.0	-48.77	276.69	6.31	-42.46
COC1=CC=CC=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623469	1	36	-1.0	-48.73	276.83	6.29	-42.44
CN(C(=O)CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL250004623470	0	26	-1.0	-46.18	260.48	6.88	-39.30
CN(C(=O)CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL250004623470	1	26	-1.0	-46.27	260.34	6.92	-39.35
CN(C(=O)C1=CC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL250004623471	0	24	-1.0	-47.02	230.08	0.72	-46.30
CN(C(=O)C1=CC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL250004623471	1	24	-1.0	-46.96	230.22	0.70	-46.26
CN(C(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004623472	0	31	-1.0	-60.16	279.34	0.54	-59.62
CN(C(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004623472	1	31	-1.0	-60.10	279.49	0.55	-59.55
CC1=NN(C)C(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623473	0	35	-1.0	-35.53	274.38	5.20	-30.33
CC1=NN(C)C(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623473	1	35	-1.0	-35.57	274.28	5.23	-30.34
COC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623474	0	35	-1.0	-46.09	300.79	5.91	-40.18
COC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623474	1	35	-1.0	-46.16	300.65	5.95	-40.21
CC(C)C1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623475	0	39	-1.0	-46.23	319.93	7.53	-38.70
CC(C)C1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623475	1	39	-1.0	-46.29	319.79	7.56	-38.73
CN(C(=O)C1=CC=CC2=C1OCCO2)C1=NN=N[N-]1	REAL250004623476	0	29	-1.0	-53.21	248.22	4.70	-48.51
CN(C(=O)C1=CC=CC2=C1OCCO2)C1=N[N-]N=N1	REAL250004623476	1	29	-1.0	-53.11	248.36	4.68	-48.43
CN(C(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL250004623477	0	20	-1.0	-44.82	213.71	4.43	-40.39
CN(C(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL250004623477	1	20	-1.0	-44.90	213.56	4.45	-40.45
CN(C(=O)C1CCCN1C(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL250004623478	0	42	-1.0	-59.03	318.91	7.03	-52.00
CN(C(=O)C1CCCN1C(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL250004623478	1	42	-1.0	-59.13	318.78	7.05	-52.08
CN(C(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004623479	0	36	-1.0	-48.52	285.86	3.73	-44.79
CN(C(=O)C1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004623479	1	36	-1.0	-48.43	286.01	3.73	-44.70
COC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623480	0	36	-1.0	-50.87	302.26	6.85	-44.02
COC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623480	1	36	-1.0	-50.96	302.13	6.89	-44.07
CC(CC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623481	0	32	-1.0	-45.29	268.17	7.04	-38.25
CC(CC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623481	1	32	-1.0	-45.41	268.04	7.06	-38.35
CC(CC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623482	0	32	-1.0	-46.40	268.16	7.03	-39.37
CC(CC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623482	1	32	-1.0	-46.45	268.02	7.06	-39.39
C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004623483	0	31	-1.0	-50.68	289.44	3.78	-46.90
C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004623483	1	31	-1.0	-50.73	289.31	3.81	-46.92
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1CCCC1=O	REAL250004623484	0	36	-1.0	-61.44	279.84	6.98	-54.46
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1CCCC1=O	REAL250004623484	1	36	-1.0	-61.55	279.71	6.98	-54.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC1(C)C	REAL250004623485	0	30	-1.0	-56.63	262.85	5.13	-51.50
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC1(C)C	REAL250004623485	1	30	-1.0	-56.70	262.71	5.13	-51.57
COC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623486	0	27	-1.0	-49.29	249.98	5.33	-43.96
COC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623486	1	27	-1.0	-49.16	250.12	5.32	-43.84
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623487	0	28	-1.0	-46.35	250.51	6.25	-40.10
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623487	1	28	-1.0	-46.31	250.65	6.24	-40.07
CCN(C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL250004623488	0	40	-1.0	-49.19	307.68	7.47	-41.72
CCN(C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL250004623488	1	40	-1.0	-49.19	307.83	7.48	-41.71
CN(C(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NN=N[N-]1	REAL250004623489	0	28	-1.0	-46.81	253.33	6.82	-39.99
CN(C(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=N[N-]N=N1	REAL250004623489	1	28	-1.0	-52.31	253.47	6.78	-45.53
CN(C(=O)C1=CC=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004623490	0	36	-1.0	-50.81	286.86	4.89	-45.92
CN(C(=O)C1=CC=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004623490	1	36	-1.0	-50.72	287.01	4.89	-45.83
CN(C(=O)C1=CC=CN=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004623491	0	35	-1.0	-50.17	288.94	3.53	-46.64
CN(C(=O)C1=CC=CN=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004623491	1	35	-1.0	-50.25	288.80	3.54	-46.71
CN(C(=O)CC1C(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623492	0	31	-1.0	-56.99	267.11	5.58	-51.41
CN(C(=O)CC1C(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623492	1	31	-1.0	-57.04	266.97	5.61	-51.43
CCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004623493	0	28	-1.0	-44.69	247.85	4.09	-40.60
CCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004623493	1	28	-1.0	-44.75	247.70	4.10	-40.65
COC1=CC=C(Cl)C=C1NCC(=O)N(C)C1=N[N-]N=N1	REAL250004623494	0	32	-1.0	-46.88	287.86	4.16	-42.72
COC1=CC=C(Cl)C=C1NCC(=O)N(C)C1=NN=N[N-]1	REAL250004623494	1	32	-1.0	-46.97	287.73	4.17	-42.80
CCN(CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004623495	1	37	-1.0	-45.27	300.90	4.73	-40.54
CCN(CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004623495	1	37	-1.0	-45.34	300.76	4.75	-40.59
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004623496	0	31	-1.0	-47.41	262.83	4.46	-42.95
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004623496	1	31	-1.0	-47.33	262.97	4.45	-42.88
CN(C(=O)CCCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004623497	0	33	-1.0	-53.35	297.26	6.93	-46.42
CN(C(=O)CCCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004623497	1	33	-1.0	-53.44	297.13	6.95	-46.49
CC(C)C1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623498	0	30	-1.0	-43.22	270.46	5.65	-37.57
CC(C)C1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623498	1	30	-1.0	-43.27	270.33	5.67	-37.60
CN(C(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=NN=N[N-]1	REAL250004623499	0	30	-1.0	-59.73	269.75	3.59	-56.14
CN(C(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=N[N-]N=N1	REAL250004623499	1	30	-1.0	-59.64	269.87	3.59	-56.05
CN(C(=O)CCCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623500	0	36	-1.0	-51.68	306.79	6.83	-44.85
CN(C(=O)CCCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623500	1	36	-1.0	-51.75	306.65	6.87	-44.88
CCCN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623501	0	37	-1.0	-49.24	296.23	7.02	-42.22
CCCN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623501	1	37	-1.0	-49.23	296.37	7.01	-42.22
CC1=NC([N+](=O)[O-])=CN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004623502	0	28	-1.0	-56.14	261.90	6.44	-49.70
CC1=NC([N+](=O)[O-])=CN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004623502	1	28	-1.0	-56.19	261.77	6.47	-49.72
CCCN(CC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623503	0	39	-1.0	-48.60	316.53	7.41	-41.19
CCCN(CC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623503	1	39	-1.0	-48.69	316.39	7.44	-41.25
COC1=CC=CC2=C1OCC(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL250004623504	0	33	-1.0	-49.74	285.02	5.48	-44.26
COC1=CC=CC2=C1OCC(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL250004623504	1	33	-1.0	-49.67	285.17	5.48	-44.19
CC1=NOC(Cl)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004623505	0	25	-1.0	-47.58	243.61	4.58	-43.00
CC1=NOC(Cl)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004623505	1	25	-1.0	-47.69	243.47	4.62	-43.07
CN(C(=O)C1=CC=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL250004623506	0	25	-1.0	-48.29	248.42	-1.18	-49.47
CN(C(=O)C1=CC=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL250004623506	1	25	-1.0	-48.31	248.27	-1.16	-49.47
CC(CC(=O)N(C)C1=N[N-]N=N1)C1CCCCC1	REAL250004623507	0	38	-1.0	-46.41	284.55	7.35	-39.06
CC(CC(=O)N(C)C1=NN=N[N-]1)C1CCCCC1	REAL250004623507	1	38	-1.0	-46.44	284.41	7.36	-39.08
CN(C(=O)C1=CC(N)=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004623508	0	24	-1.0	-43.23	228.95	2.31	-40.92
CN(C(=O)C1=CC(N)=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004623508	1	24	-1.0	-43.16	229.09	2.32	-40.84
CN(C(=O)CC1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL250004623509	0	30	-1.0	-50.95	268.05	6.13	-44.82
CN(C(=O)CC1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL250004623509	1	30	-1.0	-50.88	268.18	6.09	-44.79
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004623510	0	29	-1.0	-44.19	258.45	5.68	-38.51
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004623510	1	29	-1.0	-44.09	258.59	5.70	-38.39
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL250004623511	0	33	-1.0	-50.02	282.54	6.91	-43.11
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL250004623511	1	33	-1.0	-49.93	282.73	6.88	-43.05
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C2=CC=CC=C2)=N1	REAL250004623511	1	33	-1.0	-44.75	290.15	6.07	-38.68
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL250004623511	1	33	-1.0	-44.71	290.31	6.05	-38.66
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623512	0	34	-1.0	-48.07	279.41	4.89	-43.18
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623512	1	34	-1.0	-48.12	279.25	4.92	-43.20
CC(OC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623513	0	30	-1.0	-47.57	263.81	6.29	-41.28
CC(OC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623513	1	30	-1.0	-47.65	263.67	6.32	-41.33
CN(C(=O)C1=CC=CN1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004623514	0	33	-1.0	-50.83	276.27	6.51	-44.32
CN(C(=O)C1=CC=CN1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004623514	1	33	-1.0	-50.71	276.42	6.52	-44.19
COCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623515	0	36	-1.0	-45.19	306.18	2.35	-42.84
COCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623515	1	36	-1.0	-45.17	306.32	2.36	-42.81
CN(C(=O)C1(C)CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623516	0	36	-1.0	-48.56	264.68	7.26	-41.30
CN(C(=O)C1(C)CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623516	1	36	-1.0	-48.50	264.81	7.23	-41.27
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623517	0	32	-1.0	-46.26	278.98	5.59	-40.67
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623517	1	32	-1.0	-46.19	279.12	5.56	-40.63
CC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004623518	0	33	-1.0	-52.30	283.01	6.71	-45.59
CC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004623518	1	33	-1.0	-52.20	283.15	6.69	-45.51
CN(C(=O)CCN1C=CNC(=O)C1=O)C1=N[N-]N=N1	REAL250004623519	0	29	-1.0	-58.99	260.74	3.02	-55.97
CN(C(=O)CCN1C=CNC(=O)C1=O)C1=NN=N[N-]1	REAL250004623519	1	29	-1.0	-59.07	260.60	3.05	-56.02
CCC(C)C(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004623520	0	42	-1.0	-54.18	319.34	5.99	-48.19
CCC(C)C(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004623520	1	42	-1.0	-54.27	319.21	6.01	-48.26
CN(C(=O)CCNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL250004623521	0	39	-1.0	-56.02	312.13	4.67	-51.35
CN(C(=O)CCNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL250004623521	1	39	-1.0	-56.09	311.99	4.71	-51.38
CN(C(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004623522	0	29	-1.0	-59.30	272.14	1.74	-57.56
CN(C(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004623522	1	29	-1.0	-59.38	271.99	1.78	-57.60
CCC1=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623523	0	28	-1.0	-54.42	258.42	4.19	-50.23
CCC1=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623523	1	28	-1.0	-54.35	258.56	4.17	-50.18
CN(C(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL250004623524	0	29	-1.0	-52.26	252.40	7.86	-44.40
CN(C(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL250004623524	1	29	-1.0	-52.15	252.55	7.87	-44.28
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623525	0	28	-1.0	-42.64	250.42	6.28	-36.36
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623525	1	28	-1.0	-42.53	250.46	6.27	-36.26
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004623526	0	42	-1.0	-48.65	296.77	8.34	-40.31
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004623526	1	42	-1.0	-48.75	296.64	8.34	-40.41
CCN(CC)C(=O)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623527	0	38	-1.0	-59.61	310.52	5.96	-53.65
CCN(CC)C(=O)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623527	1	38	-1.0	-59.75	310.38	6.00	-53.75
CN(C(=O)CNC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL250004623528	0	36	-1.0	-43.60	292.01	4.05	-39.55
CN(C(=O)CNC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL250004623528	1	36	-1.0	-43.66	291.88	4.08	-39.58
CN(C(=O)C1=CC=CC=C1OCC1CC1)C1=NN=N[N-]1	REAL250004623529	0	34	-1.0	-55.15	282.38	7.82	-47.33
CN(C(=O)C1=CC=CC=C1OCC1CC1)C1=N[N-]N=N1	REAL250004623529	1	34	-1.0	-55.05	282.52	7.81	-47.24
CC1=CC=CC(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)=C1	REAL250004623530	0	32	-1.0	-45.73	280.87	5.97	-39.76
CC1=CC=CC(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)=C1	REAL250004623530	1	32	-1.0	-45.63	281.01	5.96	-39.67
CN(C(=O)CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL250004623531	0	26	-1.0	-47.49	251.16	6.58	-40.91
CN(C(=O)CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL250004623531	1	26	-1.0	-47.57	251.03	6.61	-40.96
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CO2)O1	REAL250004623532	0	32	-1.0	-56.83	289.05	3.12	-53.71
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CO2)O1	REAL250004623532	1	32	-1.0	-56.70	289.19	3.08	-53.62
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004623533	0	37	-1.0	-50.76	293.05	6.39	-44.37
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004623533	1	37	-1.0	-50.85	292.91	6.42	-44.43
CN(C(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL250004623534	0	27	-1.0	-50.04	258.84	3.14	-46.90
CN(C(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL250004623534	1	27	-1.0	-49.98	258.99	3.12	-46.86
CCN1C=C(Br)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623535	0	27	-1.0	-45.00	248.91	5.93	-39.07
CCN1C=C(Br)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623535	1	27	-1.0	-45.07	248.76	5.95	-39.12
CN(C(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004623536	0	33	-1.0	-45.61	288.91	5.28	-40.33
CN(C(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004623536	1	33	-1.0	-45.55	289.05	5.28	-40.27
CN(C(=O)CCC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004623537	0	29	-1.0	-49.73	263.01	6.86	-42.87
CN(C(=O)CCC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004623537	1	29	-1.0	-49.78	262.88	6.89	-42.89
COC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004623538	0	37	-1.0	-52.31	292.00	6.55	-45.76
COC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004623538	1	37	-1.0	-52.35	291.86	6.58	-45.77
CC1=NN(CCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL250004623539	0	34	-1.0	-45.64	304.71	5.74	-39.90
CC1=NN(CCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL250004623539	1	34	-1.0	-45.72	304.58	5.78	-39.94
COC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004623540	0	34	-1.0	-52.19	282.57	6.20	-45.99
COC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004623540	1	34	-1.0	-52.28	282.43	6.22	-46.06
CN(C(=O)C1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004623541	0	26	-1.0	-47.08	233.77	5.77	-41.31
CN(C(=O)C1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004623541	1	26	-1.0	-46.99	233.91	5.77	-41.22
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004623542	0	33	-1.0	-47.44	266.56	7.23	-40.21
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004623542	1	33	-1.0	-47.38	266.71	7.21	-40.17
CCCCCCCCCC=CC(=O)N(C)C1=N[N-]N=N1	REAL250004623543	0	44	-1.0	-47.26	354.16	9.81	-37.45
CCCCCCCCCC=CC(=O)N(C)C1=NN=N[N-]1	REAL250004623543	1	44	-1.0	-47.31	354.02	9.84	-37.47
CN(C(=O)C1=C2C=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004623544	0	30	-1.0	-55.52	258.28	6.69	-48.83
CN(C(=O)C1=C2C=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004623544	1	30	-1.0	-55.38	258.76	6.70	-48.68
CN(C(=O)C1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004623545	0	31	-1.0	-47.73	271.36	5.47	-42.26
CN(C(=O)C1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004623545	1	31	-1.0	-47.65	271.50	5.45	-42.20
CC(C)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623546	0	28	-1.0	-47.46	252.56	4.93	-42.53
CC(C)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623546	1	28	-1.0	-47.54	252.41	4.95	-42.59
CN(C(=O)C1=CC=C(N2CCCC2)N=N1)C1=NN=N[N-]1	REAL250004623547	0	33	-1.0	-45.21	273.37	4.25	-40.96
CN(C(=O)C1=CC=C(N2CCCC2)N=N1)C1=N[N-]N=N1	REAL250004623547	1	33	-1.0	-45.16	273.51	4.24	-40.92
CN(C(=O)CNC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623548	0	28	-1.0	-46.11	259.49	4.75	-41.36
CN(C(=O)CNC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623548	1	28	-1.0	-46.20	259.35	4.77	-41.43
CN(C(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004623549	0	31	-1.0	-30.15	262.74	4.57	-25.58
CN(C(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004623549	1	31	-1.0	-30.14	262.89	4.55	-25.59
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2NN=CC2=C1	REAL250004623550	0	29	-1.0	-51.26	253.08	4.31	-46.95
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2NN=CC2=C1	REAL250004623550	1	29	-1.0	-51.17	253.23	4.30	-46.87
CC1=CC2=CNN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623550	1	29	-1.0	-62.45	253.05	4.39	-58.06
CC1=CC2=CNN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623550	1	29	-1.0	-62.32	253.19	4.38	-57.94
COC(=O)CSCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623551	0	29	-1.0	-47.50	269.85	5.14	-42.36
COC(=O)CSCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623551	1	29	-1.0	-47.58	269.71	5.17	-42.41
CC(NC(=O)CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623552	0	42	-1.0	-37.30	323.41	5.45	-31.85
CC(NC(=O)CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623552	1	42	-1.0	-37.36	323.22	5.46	-31.90
CN(C(=O)C1=CN(C)N=C1C1CCCCC1)C1=N[N-]N=N1	REAL250004623553	0	39	-1.0	-51.17	309.98	6.50	-44.67
CN(C(=O)C1=CN(C)N=C1C1CCCCC1)C1=NN=N[N-]1	REAL250004623553	1	39	-1.0	-51.26	309.85	6.52	-44.74
CN(C(=O)CNC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL250004623554	0	39	-1.0	-43.57	314.53	4.82	-38.75
CN(C(=O)CNC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL250004623554	1	39	-1.0	-43.64	314.40	4.85	-38.79
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623555	0	33	-1.0	-48.59	281.40	6.68	-41.91
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623555	1	33	-1.0	-48.53	281.49	6.68	-41.85
CN(C(=O)CSC1=NC=CN1C(C)(C)C)C1=NN=N[N-]1	REAL250004623556	0	36	-1.0	-47.25	304.38	6.63	-40.62
CN(C(=O)CSC1=NC=CN1C(C)(C)C)C1=N[N-]N=N1	REAL250004623556	1	36	-1.0	-47.19	304.52	6.61	-40.58
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004623557	0	34	-1.0	-52.12	281.81	6.14	-45.98
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004623557	1	34	-1.0	-52.06	281.94	6.13	-45.93
CN(C(=O)CC1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004623558	0	34	-1.0	-49.89	296.61	5.46	-44.43
CN(C(=O)CC1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004623558	1	34	-1.0	-49.98	296.47	5.49	-44.49
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004623559	0	32	-1.0	-49.74	269.74	7.23	-42.51
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004623559	1	32	-1.0	-49.82	269.60	7.24	-42.58
CN(C(=O)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623560	0	25	-1.0	-42.13	248.69	5.50	-36.63
CN(C(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623560	1	25	-1.0	-42.17	248.56	5.49	-36.68
CN(C(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=N[N-]N=N1	REAL250004623561	0	28	-1.0	-53.05	262.25	5.17	-47.88
CN(C(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NN=N[N-]1	REAL250004623561	1	28	-1.0	-53.10	262.12	5.19	-47.91
CN(C(=O)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623562	0	26	-1.0	-47.57	246.60	6.47	-41.10
CN(C(=O)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623562	1	26	-1.0	-47.70	246.46	6.51	-41.19
CC1=NSC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004623564	0	27	-1.0	-42.49	250.18	3.66	-38.83
CC1=NSC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004623564	1	27	-1.0	-42.37	250.31	3.67	-38.70
CN(C(=O)CNC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL250004623565	0	39	-1.0	-43.54	308.67	4.69	-38.85
CN(C(=O)CNC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL250004623565	1	39	-1.0	-43.66	308.53	4.71	-38.95
CC1=NOC(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623566	0	31	-1.0	-50.22	252.95	4.87	-45.35
CC1=NOC(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623566	1	31	-1.0	-50.30	252.82	4.88	-45.42
CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1=N[N-]N=N1	REAL250004623567	0	32	-1.0	-48.17	250.92	2.24	-45.93
CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1=NN=N[N-]1	REAL250004623567	1	32	-1.0	-48.24	250.77	2.24	-46.00
CC(C)OC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004623568	0	36	-1.0	-50.67	297.95	6.87	-43.80
CC(C)OC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004623568	1	36	-1.0	-50.76	297.82	6.91	-43.85
CN(C(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=N[N-]N=N1	REAL250004623569	0	28	-1.0	-46.61	252.77	6.17	-40.44
CN(C(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NN=N[N-]1	REAL250004623569	1	28	-1.0	-46.74	252.63	6.18	-40.56
CC1=CC=CN2C=C(CC(=O)N(C)C3=N[N-]N=N3)N=C12	REAL250004623570	0	32	-1.0	-60.91	277.19	7.19	-53.72
CC1=CC=CN2C=C(CC(=O)N(C)C3=NN=N[N-]3)N=C12	REAL250004623570	1	32	-1.0	-60.94	277.06	7.21	-53.73
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)=C1	REAL250004623571	0	39	-1.0	-50.32	296.25	8.57	-41.75
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)=C1	REAL250004623571	1	39	-1.0	-50.41	296.12	8.57	-41.84
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004623572	0	31	-1.0	-46.29	263.94	4.09	-42.20
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004623572	1	31	-1.0	-46.26	264.08	4.09	-42.17
CC(C)C1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004623573	0	42	-1.0	-49.76	323.23	9.05	-40.71
CC(C)C1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004623573	1	42	-1.0	-49.88	323.09	9.07	-40.81
CCSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623574	0	29	-1.0	-44.07	261.24	5.13	-38.94
CCSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623574	1	29	-1.0	-43.98	261.38	5.12	-38.86
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623575	0	33	-1.0	-48.23	283.24	4.96	-43.27
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623575	1	33	-1.0	-48.19	283.36	4.98	-43.21
CN(C(=O)C1CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623576	0	31	-1.0	-49.83	257.72	5.56	-44.27
CN(C(=O)C1CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623576	1	31	-1.0	-49.77	257.85	5.54	-44.23
CCCC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623577	0	34	-1.0	-55.12	286.80	5.77	-49.35
CCCC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623577	1	34	-1.0	-55.19	286.67	5.79	-49.40
CN(C(=O)C1=CC=C(OCC2CC2)N=C1)C1=NN=N[N-]1	REAL250004623578	0	33	-1.0	-45.30	283.40	4.19	-41.11
CN(C(=O)C1=CC=C(OCC2CC2)N=C1)C1=N[N-]N=N1	REAL250004623578	1	33	-1.0	-45.21	283.55	4.17	-41.04
CCC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623579	0	35	-1.0	-48.06	283.78	7.67	-40.39
CCC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623579	1	35	-1.0	-48.14	283.64	7.69	-40.45
CN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004623580	0	37	-1.0	-56.00	292.95	5.88	-50.12
CN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004623580	1	37	-1.0	-56.06	292.82	5.91	-50.15
CCCCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623581	0	34	-1.0	-64.51	297.35	3.25	-61.26
CCCCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623581	1	34	-1.0	-64.59	297.21	3.28	-61.31
CCCCC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623582	0	37	-1.0	-55.24	308.30	6.55	-48.69
CCCCC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623582	1	37	-1.0	-55.30	308.17	6.57	-48.73
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL250004623583	0	42	-1.0	-53.87	331.48	5.82	-48.05
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL250004623583	1	42	-1.0	-53.98	331.35	5.85	-48.13
CN(C(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL250004623584	0	28	-1.0	-47.05	263.17	4.07	-42.98
CN(C(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL250004623584	1	28	-1.0	-46.97	263.32	4.04	-42.93
CC(C)OC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623585	0	37	-1.0	-48.42	308.18	7.31	-41.11
CC(C)OC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623585	1	37	-1.0	-48.45	308.04	7.33	-41.12
CC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623586	0	36	-1.0	-34.37	288.09	2.96	-31.41
CC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623586	1	36	-1.0	-34.41	287.94	2.98	-31.43
CN(C(=O)C1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004623587	0	22	-1.0	-44.29	220.59	4.82	-39.47
CN(C(=O)C1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004623587	1	22	-1.0	-44.28	220.73	4.81	-39.47
CC1CC(CC(=O)N(C)C2=N[N-]N=N2)CC(C)(C)C1	REAL250004623588	0	41	-1.0	-47.27	304.51	7.73	-39.54
CC1CC(CC(=O)N(C)C2=NN=N[N-]2)CC(C)(C)C1	REAL250004623588	1	41	-1.0	-47.32	304.37	7.75	-39.57
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004623589	0	32	-1.0	-54.72	285.39	6.71	-48.01
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004623589	1	32	-1.0	-54.77	285.26	6.74	-48.03
CCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623590	0	40	-1.0	-46.82	312.31	8.11	-38.71
CCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623590	1	40	-1.0	-46.92	312.17	8.12	-38.80
CN(C(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004623591	0	31	-1.0	-55.75	284.04	0.94	-54.81
CN(C(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004623591	1	31	-1.0	-55.80	283.90	0.96	-54.84
CCN(CC)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623592	1	40	-1.0	-47.54	309.24	6.17	-41.37
CCN(CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623592	1	40	-1.0	-47.62	309.12	6.19	-41.43
CN(C(=O)C(=O)NCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623593	0	36	-1.0	-41.40	308.83	5.28	-36.12
CN(C(=O)C(=O)NCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623593	1	36	-1.0	-41.43	308.69	5.30	-36.13
CCCN(CCC)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623594	0	41	-1.0	-45.55	332.01	6.69	-38.86
CCCN(CCC)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623594	1	41	-1.0	-45.65	331.87	6.73	-38.92
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL250004623595	0	28	-1.0	-49.99	260.80	3.47	-46.52
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL250004623595	1	28	-1.0	-49.87	260.94	3.45	-46.42
COC1=CC=CC=C1NCC(=O)N(C)C1=N[N-]N=N1	REAL250004623596	0	32	-1.0	-48.91	271.14	3.65	-45.26
COC1=CC=CC=C1NCC(=O)N(C)C1=NN=N[N-]1	REAL250004623596	1	32	-1.0	-49.02	271.01	3.67	-45.35
CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL250004623597	0	35	-1.0	-34.86	275.65	0.53	-34.33
CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL250004623597	1	35	-1.0	-34.92	275.56	0.56	-34.36
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004623598	0	30	-1.0	-46.78	274.19	7.71	-39.07
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004623598	1	30	-1.0	-46.86	274.04	7.71	-39.15
COC1=CC=CC=C1C(C)=CC(=O)N(C)C1=NN=N[N-]1	REAL250004623599	0	34	-1.0	-48.50	287.71	6.61	-41.89
COC1=CC=CC=C1C(C)=CC(=O)N(C)C1=N[N-]N=N1	REAL250004623599	1	34	-1.0	-48.43	287.85	6.62	-41.81
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)C1CCCC1	REAL250004623600	0	39	-1.0	-53.89	313.34	5.15	-48.74
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)C1CCCC1	REAL250004623600	1	39	-1.0	-53.98	313.21	5.18	-48.80
CC(SC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623601	0	31	-1.0	-47.22	285.06	7.22	-40.00
CC(SC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623601	1	31	-1.0	-47.30	284.93	7.24	-40.06
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(CC(C)C)=N1	REAL250004623602	0	34	-1.0	-44.39	287.36	5.53	-38.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(CC(C)C)=N1	REAL250004623602	1	34	-1.0	-44.45	287.22	5.55	-38.90
CN(C(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623603	0	39	-1.0	-49.39	300.53	8.25	-41.14
CN(C(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623603	1	39	-1.0	-49.45	300.39	8.27	-41.18
CN(C(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL250004623604	0	30	-1.0	-50.54	278.48	6.52	-44.02
CN(C(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL250004623604	1	30	-1.0	-50.63	278.35	6.56	-44.07
CN(C(=O)C1=CC=C(N2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004623605	0	34	-1.0	-46.86	276.67	4.85	-42.01
CN(C(=O)C1=CC=C(N2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004623605	1	34	-1.0	-46.93	276.53	4.86	-42.07
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL250004623606	0	35	-1.0	-50.15	285.37	5.37	-44.78
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL250004623606	1	35	-1.0	-50.25	285.23	5.40	-44.85
CN(C(=O)CSCC1CCCCO1)C1=N[N-]N=N1	REAL250004623607	0	34	-1.0	-50.81	289.08	5.50	-45.31
CN(C(=O)CSCC1CCCCO1)C1=NN=N[N-]1	REAL250004623607	1	34	-1.0	-50.90	288.94	5.53	-45.37
CN(C(=O)C1=C(C(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL250004623608	0	26	-1.0	-53.23	235.81	3.39	-49.84
CN(C(=O)C1=C(C(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL250004623608	1	26	-1.0	-53.29	235.66	3.42	-49.87
CC(C)CCC(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004623609	0	35	-1.0	-43.60	289.39	3.49	-40.11
CC(C)CCC(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004623609	1	35	-1.0	-43.64	289.25	3.52	-40.12
CCN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623611	0	37	-1.0	-47.47	289.03	4.87	-42.60
CCN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623611	1	37	-1.0	-47.55	288.89	4.88	-42.67
CN(C(=O)CC1=CSC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL250004623612	0	28	-1.0	-62.78	270.30	4.03	-58.75
CN(C(=O)CC1=CSC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL250004623612	1	28	-1.0	-62.90	270.17	4.06	-58.84
CC(=O)NCC(=O)N1CCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623613	0	37	-1.0	-58.94	304.36	2.95	-55.99
CC(=O)NCC(=O)N1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623613	1	37	-1.0	-59.03	304.23	2.96	-56.07
CC(C)COC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623614	0	35	-1.0	-53.52	294.28	4.64	-48.88
CC(C)COC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623614	1	35	-1.0	-53.40	294.42	4.64	-48.76
CN(C(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004623615	0	36	-1.0	-52.47	298.14	5.95	-46.52
CN(C(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004623615	1	36	-1.0	-52.55	298.00	5.97	-46.58
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623616	0	43	-1.0	-43.78	326.95	3.66	-40.12
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623616	1	43	-1.0	-43.89	326.81	3.66	-40.23
CCCN(CCC)C(=O)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623617	0	44	-1.0	-59.28	353.52	7.48	-51.80
CCCN(CCC)C(=O)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623617	1	44	-1.0	-59.32	353.38	7.51	-51.81
CCCNC(=O)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623618	0	35	-1.0	-59.62	293.95	3.69	-55.93
CCCNC(=O)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623618	1	35	-1.0	-59.70	293.82	3.73	-55.97
CC(C)NC(=O)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623619	0	35	-1.0	-59.75	293.08	3.73	-56.02
CC(C)NC(=O)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623619	1	35	-1.0	-59.81	292.95	3.76	-56.05
CN(C(=O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004623620	0	23	-1.0	-40.63	222.12	5.11	-35.52
CN(C(=O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004623620	1	23	-1.0	-40.67	221.98	5.10	-35.57
COC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623621	0	31	-1.0	-59.27	268.01	3.12	-56.15
COC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623621	1	31	-1.0	-59.17	268.16	3.11	-56.06
COC1=CC=CC=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623622	0	36	-1.0	-49.51	292.60	6.58	-42.93
COC1=CC=CC=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623622	1	36	-1.0	-49.60	292.46	6.60	-43.00
CC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623623	0	35	-1.0	-50.31	274.06	7.55	-42.76
CC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623623	1	35	-1.0	-50.24	274.20	7.54	-42.70
CN(C(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL250004623624	0	32	-1.0	-44.59	280.19	7.41	-37.18
CN(C(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL250004623624	1	32	-1.0	-44.71	280.06	7.43	-37.28
CN(C(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NN=N[N-]1	REAL250004623625	0	27	-1.0	-51.53	259.69	3.02	-48.51
CN(C(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=N[N-]N=N1	REAL250004623625	1	27	-1.0	-51.43	259.84	3.00	-48.43
CNC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004623626	0	27	-1.0	-42.96	249.69	3.26	-39.70
CNC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004623626	1	27	-1.0	-42.88	249.83	3.23	-39.65
CC(C)OC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623627	0	33	-1.0	-53.99	272.32	6.63	-47.36
CC(C)OC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623627	1	33	-1.0	-53.90	272.46	6.61	-47.29
CN(C(=O)C1=CC2=C(CCCC2)NC1=O)C1=NN=N[N-]1	REAL250004623628	0	33	-1.0	-61.01	276.83	4.47	-56.54
CN(C(=O)C1=CC2=C(CCCC2)NC1=O)C1=N[N-]N=N1	REAL250004623628	1	33	-1.0	-60.92	276.97	4.46	-56.46
CN(C(=O)CC1=COC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL250004623629	0	29	-1.0	-58.09	276.57	3.54	-54.55
CN(C(=O)CC1=COC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL250004623629	1	29	-1.0	-58.02	276.70	3.52	-54.50
CCCC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004623630	0	39	-1.0	-63.14	302.47	6.96	-56.18
CCCC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623630	1	39	-1.0	-63.27	302.34	6.98	-56.29
CN(C(=O)CN1C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004623631	0	29	-1.0	-60.56	256.69	5.62	-54.94
CN(C(=O)CN1C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004623631	1	29	-1.0	-60.47	256.82	5.59	-54.88
CN(C(=O)CCCCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004623632	0	35	-1.0	-49.08	305.99	8.21	-40.87
CN(C(=O)CCCCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004623632	1	35	-1.0	-49.18	305.85	8.24	-40.94
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623633	0	25	-1.0	-44.04	237.60	5.65	-38.39
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623633	1	25	-1.0	-43.97	237.74	5.67	-38.30
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623634	0	39	-1.0	-43.32	302.62	3.19	-40.13
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623634	1	39	-1.0	-43.37	302.49	3.22	-40.15
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623635	0	42	-1.0	-34.02	323.80	4.13	-29.89
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623635	1	42	-1.0	-34.10	323.65	4.14	-29.96
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623636	0	42	-1.0	-42.83	319.76	4.00	-38.83
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623636	1	42	-1.0	-42.88	319.62	4.02	-38.86
CCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623637	0	42	-1.0	-43.12	324.10	3.94	-39.18
CCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623637	1	42	-1.0	-43.15	323.96	3.97	-39.18
CN(C(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL250004623638	0	29	-1.0	-54.80	262.73	4.61	-50.19
CN(C(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL250004623638	1	29	-1.0	-54.70	262.88	4.61	-50.09
CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004623639	0	36	-1.0	-52.99	295.26	4.95	-48.04
CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004623639	1	36	-1.0	-53.05	295.12	4.97	-48.08
CNC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623640	0	29	-1.0	-45.32	256.60	1.49	-43.83
CNC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623640	1	29	-1.0	-45.21	256.74	1.47	-43.74
CN(C(=O)COC1=CC=CC=C1C=O)C1=N[N-]N=N1	REAL250004623641	0	29	-1.0	-53.20	260.90	5.63	-47.57
CN(C(=O)COC1=CC=CC=C1C=O)C1=NN=N[N-]1	REAL250004623641	1	29	-1.0	-53.30	260.77	5.65	-47.65
CN(C(=O)COC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004623642	0	29	-1.0	-52.69	261.88	5.60	-47.09
CN(C(=O)COC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004623642	1	29	-1.0	-52.75	261.75	5.62	-47.13
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623643	0	32	-1.0	-49.28	259.19	6.93	-42.35
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623643	1	32	-1.0	-49.37	259.05	6.94	-42.43
COC(=O)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623644	0	35	-1.0	-48.88	306.07	7.45	-41.43
COC(=O)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623644	1	35	-1.0	-48.91	305.93	7.47	-41.44
CN(C(=O)CC1OCCC2=C1SC=C2)C1=N[N-]N=N1	REAL250004623645	0	31	-1.0	-48.81	271.59	5.93	-42.88
CN(C(=O)CC1OCCC2=C1SC=C2)C1=NN=N[N-]1	REAL250004623645	1	31	-1.0	-48.89	271.45	5.96	-42.93
CC(C)C(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623646	0	38	-1.0	-48.70	301.98	8.28	-40.42
CC(C)C(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623646	1	38	-1.0	-48.80	301.84	8.30	-40.50
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004623647	0	26	-1.0	-47.47	238.41	6.01	-41.46
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004623647	1	26	-1.0	-47.43	238.55	6.03	-41.40
CN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623648	0	33	-1.0	-59.52	274.21	4.79	-54.73
CN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623648	1	33	-1.0	-59.52	274.35	4.78	-54.74
CN(C(=O)C1=CC2=C(CCOC2)S1)C1=N[N-]N=N1	REAL250004623649	0	28	-1.0	-46.92	247.09	4.07	-42.85
CN(C(=O)C1=CC2=C(CCOC2)S1)C1=NN=N[N-]1	REAL250004623649	1	28	-1.0	-46.98	246.94	4.08	-42.90
CN(C(=O)CSC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004623650	0	28	-1.0	-49.09	269.23	6.85	-42.24
CN(C(=O)CSC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004623650	1	28	-1.0	-49.15	269.09	6.89	-42.26
CN(C(=O)CCOC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004623651	0	32	-1.0	-51.95	282.84	5.34	-46.61
CN(C(=O)CCOC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004623651	1	32	-1.0	-52.01	282.70	5.38	-46.63
CN(C(=O)CCOC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004623652	0	32	-1.0	-48.83	282.99	5.32	-43.51
CN(C(=O)CCOC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004623652	1	32	-1.0	-48.90	282.85	5.36	-43.54
COC(=O)NC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623653	0	31	-1.0	-47.47	267.10	3.49	-43.98
COC(=O)NC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623653	1	31	-1.0	-47.37	267.25	3.49	-43.88
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL250004623655	0	31	-1.0	-50.92	272.55	0.63	-50.29
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL250004623655	1	31	-1.0	-50.82	272.69	0.64	-50.18
COC1=CC=CC(SCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623656	0	31	-1.0	-50.30	277.88	5.77	-44.53
COC1=CC=CC(SCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623656	1	31	-1.0	-50.39	277.74	5.79	-44.60
CCN(CC)S(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623657	0	33	-1.0	-57.79	286.67	2.05	-55.74
CCN(CC)S(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623657	1	33	-1.0	-57.83	286.54	2.08	-55.75
CC(=O)NCCNC(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623658	0	36	-1.0	-51.77	311.46	0.49	-51.28
CC(=O)NCCNC(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623658	1	36	-1.0	-51.87	311.33	0.53	-51.34
CCCCCCN(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623659	1	39	-1.0	-47.08	307.32	5.15	-41.93
CCCCCCN(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623659	1	39	-1.0	-47.16	307.19	5.18	-41.98
CN(C(=O)CCC1=NC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004623660	0	31	-1.0	-65.43	271.38	4.96	-60.47
CN(C(=O)CCC1=NC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004623660	1	31	-1.0	-65.49	271.24	4.99	-60.50
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004623661	0	32	-1.0	-54.15	277.32	7.34	-46.81
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004623661	1	32	-1.0	-54.10	277.48	7.34	-46.76
CN(C(=O)CN1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004623662	0	28	-1.0	-54.02	247.39	1.41	-52.61
CN(C(=O)CN1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004623662	1	28	-1.0	-54.11	247.26	1.43	-52.68
CN(C(=O)CN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004623663	0	31	-1.0	-58.59	273.67	5.71	-52.88
CN(C(=O)CN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004623663	1	31	-1.0	-58.63	273.54	5.74	-52.89
CN(C(=O)CNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL250004623664	0	27	-1.0	-44.14	260.80	1.42	-42.72
CN(C(=O)CNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL250004623664	1	27	-1.0	-44.22	260.67	1.44	-42.78
CCC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004623665	0	36	-1.0	-52.31	304.54	7.47	-44.84
CCC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004623665	1	36	-1.0	-52.22	304.68	7.44	-44.78
CN(C(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004623666	0	29	-1.0	-44.81	268.02	5.61	-39.20
CN(C(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004623666	1	29	-1.0	-44.88	267.88	5.63	-39.25
CCCC1=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623667	0	31	-1.0	-54.08	279.88	4.96	-49.12
CCCC1=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623667	1	31	-1.0	-54.05	280.02	4.95	-49.10
CN(C(=O)C1=CNN=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004623668	0	29	-1.0	-54.91	250.47	3.14	-51.77
CN(C(=O)C1=CNN=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004623668	1	29	-1.0	-54.76	250.62	3.14	-51.62
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004623669	0	34	-1.0	-45.48	292.63	5.23	-40.25
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004623669	1	34	-1.0	-45.52	292.48	5.23	-40.29
COC1=NC=NC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623670	0	29	-1.0	-50.57	262.90	0.20	-50.37
COC1=NC=NC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623670	1	29	-1.0	-50.51	263.05	0.17	-50.34
CC1OC2=C(C=CC=C2C(=O)N(C)C2=NN=N[N-]2)NC1=O	REAL250004623671	0	32	-1.0	-53.89	271.04	3.88	-50.01
CC1OC2=C(C=CC=C2C(=O)N(C)C2=N[N-]N=N2)NC1=O	REAL250004623671	1	32	-1.0	-53.83	271.19	3.86	-49.97
CN(C(=O)C1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004623672	0	26	-1.0	-54.20	237.14	5.85	-48.35
CN(C(=O)C1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004623672	1	26	-1.0	-54.14	237.28	5.86	-48.28
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N2N=CC=C2N1	REAL250004623673	0	32	-1.0	-68.68	278.06	4.17	-64.51
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N2N=CC=C2N1	REAL250004623673	1	32	-1.0	-68.81	277.92	4.21	-64.60
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1CC1CC1	REAL250004623674	0	37	-1.0	-51.18	297.87	8.02	-43.16
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1CC1CC1	REAL250004623674	1	37	-1.0	-51.10	298.02	8.00	-43.10
CN(C(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=NN=N[N-]1	REAL250004623675	0	28	-1.0	-50.36	253.25	3.52	-46.84
CN(C(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=N[N-]N=N1	REAL250004623675	1	28	-1.0	-50.30	253.38	3.52	-46.78
CN(C(=O)CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004623676	0	29	-1.0	-49.21	258.95	6.65	-42.56
CN(C(=O)CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004623676	1	29	-1.0	-49.26	258.82	6.67	-42.59
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623677	0	35	-1.0	-45.97	284.39	7.84	-38.13
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623677	1	35	-1.0	-46.10	284.26	7.87	-38.23
CN(C(=O)CN1N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623678	0	29	-1.0	-53.64	258.42	5.54	-48.10
CN(C(=O)CN1N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623678	1	29	-1.0	-53.57	258.55	5.52	-48.05
CN(C(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL250004623679	0	35	-1.0	-45.15	283.89	5.34	-39.81
CN(C(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL250004623679	1	35	-1.0	-45.03	284.04	5.33	-39.70
CCN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623680	0	36	-1.0	-59.89	296.02	5.80	-54.09
CCN(C)C(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623680	1	36	-1.0	-59.86	296.16	5.79	-54.07
CN(C(=O)C1=NNC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004623681	0	28	-1.0	-62.94	249.39	5.44	-57.50
CN(C(=O)C1=NNC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004623681	1	28	-1.0	-62.88	249.53	5.42	-57.46
CN(C(=O)C1(C(=O)NC2CC2)CCC1)C1=N[N-]N=N1	REAL250004623682	0	34	-1.0	-41.64	278.65	3.62	-38.02
CN(C(=O)C1(C(=O)NC2CC2)CCC1)C1=NN=N[N-]1	REAL250004623682	1	34	-1.0	-41.74	278.52	3.63	-38.11
CN(C(=O)C1=C(OC(F)F)C=CS1)C1=N[N-]N=N1	REAL250004623683	0	24	-1.0	-51.08	231.13	4.22	-46.86
CN(C(=O)C1=C(OC(F)F)C=CS1)C1=NN=N[N-]1	REAL250004623683	1	24	-1.0	-51.20	230.99	4.20	-47.00
CN(C(=O)CC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004623684	0	30	-1.0	-51.02	269.12	5.55	-45.47
CN(C(=O)CC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004623684	1	30	-1.0	-51.10	268.99	5.58	-45.52
CC(C(=O)N(C)C1=N[N-]N=N1)N1CCN(C)CC1	REAL250004623685	0	36	-1.0	-47.69	276.96	1.18	-46.51
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCN(C)CC1	REAL250004623685	1	36	-1.0	-47.78	276.82	1.20	-46.58
COC(=O)N(C)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623686	0	33	-1.0	-54.69	282.90	4.10	-50.59
COC(=O)N(C)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623686	1	33	-1.0	-54.80	282.76	4.14	-50.66
COC1=CC=C(NC(=O)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623687	0	31	-1.0	-40.74	269.35	2.89	-37.85
COC1=CC=C(NC(=O)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623687	1	31	-1.0	-40.83	269.22	2.90	-37.93
CN(C(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL250004623688	0	29	-1.0	-48.34	271.64	3.55	-44.79
CN(C(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL250004623688	1	29	-1.0	-48.27	271.79	3.53	-44.74
CN(C(=O)CN1N=CC2=C1N=CNC2=O)C1=N[N-]N=N1	REAL250004623689	0	28	-1.0	-59.59	258.34	3.22	-56.37
CN(C(=O)CN1N=CC2=C1N=CNC2=O)C1=NN=N[N-]1	REAL250004623689	1	28	-1.0	-59.67	258.21	3.24	-56.43
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=N1	REAL250004623690	0	28	-1.0	-46.90	249.88	4.62	-42.28
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=N1	REAL250004623690	1	28	-1.0	-46.78	250.02	4.59	-42.19
CSC1=C(C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004623691	0	24	-1.0	-51.09	230.68	4.83	-46.26
CSC1=C(C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004623691	1	24	-1.0	-51.03	230.81	4.83	-46.20
CC(C)COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623692	0	39	-1.0	-48.84	322.82	7.70	-41.14
CC(C)COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623692	1	39	-1.0	-48.93	322.69	7.72	-41.21
CC(C(=O)N(C)C1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL250004623693	0	38	-1.0	-47.32	292.95	5.26	-42.06
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL250004623693	1	38	-1.0	-47.45	292.81	5.28	-42.17
COC1=CC=CC=C1CC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623694	0	39	-1.0	-50.29	314.32	7.34	-42.95
COC1=CC=CC=C1CC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623694	1	39	-1.0	-50.36	314.18	7.35	-43.01
CN(C(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004623695	0	34	-1.0	-51.05	290.22	8.46	-42.59
CN(C(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004623695	1	34	-1.0	-50.97	290.36	8.46	-42.51
CN(C(=O)C1=CN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL250004623696	0	26	-1.0	-46.07	250.19	3.88	-42.19
CN(C(=O)C1=CN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL250004623696	1	26	-1.0	-46.03	250.35	3.86	-42.17
CN(C(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NN=N[N-]1	REAL250004623697	0	31	-1.0	-49.57	272.38	7.14	-42.43
CN(C(=O)C1=CC2=CC=CC=C2N1CC#N)C1=N[N-]N=N1	REAL250004623697	1	31	-1.0	-49.50	272.53	7.13	-42.37
CC1=CC(C)=C(C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623698	0	39	-1.0	-47.23	318.90	7.57	-39.66
CC1=CC(C)=C(C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623698	1	39	-1.0	-47.31	318.76	7.60	-39.71
CN(C(=O)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL250004623699	0	26	-1.0	-47.54	247.51	6.44	-41.10
CN(C(=O)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL250004623699	1	26	-1.0	-47.64	247.37	6.47	-41.17
CN(C(=O)C(C)(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004623700	0	32	-1.0	-35.16	255.93	6.33	-28.83
CN(C(=O)C(C)(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004623700	1	32	-1.0	-35.23	255.81	6.34	-28.89
CC1=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=CC=C1	REAL250004623701	0	33	-1.0	-52.62	276.82	6.51	-46.11
CC1=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=CC=C1	REAL250004623701	1	33	-1.0	-52.55	276.96	6.49	-46.06
CN(C(=O)C1=CN=C(C2CC2)S1)C1=N[N-]N=N1	REAL250004623702	0	26	-1.0	-45.94	239.83	4.47	-41.47
CN(C(=O)C1=CN=C(C2CC2)S1)C1=NN=N[N-]1	REAL250004623702	1	26	-1.0	-46.03	239.68	4.49	-41.54
CN(C(=O)C1=CC=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL250004623703	0	28	-1.0	-52.45	245.56	3.36	-49.09
CN(C(=O)C1=CC=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL250004623703	1	28	-1.0	-52.39	245.70	3.36	-49.03
COC1=CC=CC=C1CC(C)=CC(=O)N(C)C1=N[N-]N=N1	REAL250004623704	0	37	-1.0	-49.60	304.96	7.50	-42.10
COC1=CC=CC=C1CC(C)=CC(=O)N(C)C1=NN=N[N-]1	REAL250004623704	1	37	-1.0	-49.72	304.82	7.52	-42.20
CN(C(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL250004623705	0	29	-1.0	-54.26	250.74	3.22	-51.04
CN(C(=O)C1=CC=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL250004623705	1	29	-1.0	-54.16	250.88	3.20	-50.96
CC(=O)C1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623706	0	25	-1.0	-54.97	234.19	4.25	-50.72
CC(=O)C1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623706	1	25	-1.0	-55.09	234.04	4.25	-50.84
CN(C(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NN=N[N-]1	REAL250004623707	0	30	-1.0	-45.62	264.65	6.10	-39.52
CN(C(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=N[N-]N=N1	REAL250004623707	1	30	-1.0	-45.53	264.79	6.10	-39.43
COC(C)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623708	0	33	-1.0	-47.11	258.03	5.30	-41.81
COC(C)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623708	1	33	-1.0	-47.04	258.17	5.29	-41.75
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=NN1C	REAL250004623709	0	30	-1.0	-47.35	267.15	2.35	-45.00
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=NN1C	REAL250004623709	1	30	-1.0	-47.27	267.29	2.33	-44.94
CN(C(=O)COC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL250004623710	0	29	-1.0	-51.93	262.04	5.58	-46.35
CN(C(=O)COC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL250004623710	1	29	-1.0	-51.99	261.91	5.60	-46.39
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004623711	0	27	-1.0	-47.92	248.56	4.74	-43.18
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004623711	1	27	-1.0	-47.85	248.69	4.74	-43.11
COC(=O)N[C@H](C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004623712	0	33	-1.0	-43.17	267.62	2.48	-40.69
COC(=O)N[C@H](C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004623712	1	33	-1.0	-43.19	267.49	2.49	-40.70
CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004623713	0	33	-1.0	-47.51	274.33	5.90	-41.61
CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004623713	1	33	-1.0	-47.46	274.47	5.89	-41.57
CN(C(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL250004623714	0	37	-1.0	-50.91	295.35	7.09	-43.82
CN(C(=O)C1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL250004623714	1	37	-1.0	-50.77	295.50	7.09	-43.68
CN(C(=O)CN1N=CN2N=CC=C2C1=O)C1=N[N-]N=N1	REAL250004623715	0	28	-1.0	-56.63	258.16	4.12	-52.51
CN(C(=O)CN1N=CN2N=CC=C2C1=O)C1=NN=N[N-]1	REAL250004623715	1	28	-1.0	-56.66	258.03	4.15	-52.51
CN(C(=O)CC1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004623716	0	36	-1.0	-50.12	288.01	8.37	-41.75
CN(C(=O)CC1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004623716	1	36	-1.0	-50.17	287.87	8.39	-41.78
CC(CC(=O)N(C)C1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL250004623717	0	34	-1.0	-45.06	287.12	7.09	-37.97
CC(CC(=O)N(C)C1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL250004623717	1	34	-1.0	-45.14	286.98	7.11	-38.03
CN(C(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=NN=N[N-]1	REAL250004623718	0	29	-1.0	-49.71	257.27	4.70	-45.01
CN(C(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=N[N-]N=N1	REAL250004623718	1	29	-1.0	-49.58	257.42	4.67	-44.91
CC(C)COC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623719	0	36	-1.0	-54.61	292.30	7.71	-46.90
CC(C)COC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623719	1	36	-1.0	-54.50	292.44	7.70	-46.80
CCOC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004623720	0	29	-1.0	-43.05	267.07	3.04	-40.01
CCOC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004623720	1	29	-1.0	-42.95	267.21	3.04	-39.91
CCCC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623721	0	44	-1.0	-33.53	323.32	8.69	-24.84
CCCC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623721	1	44	-1.0	-33.54	323.13	8.69	-24.85
CN(C(=O)CC1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623722	0	36	-1.0	-46.55	283.84	8.21	-38.34
CN(C(=O)CC1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623722	1	36	-1.0	-46.63	283.70	8.22	-38.41
CN(C(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004623723	0	42	-1.0	-48.83	326.94	9.68	-39.15
CN(C(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004623723	1	42	-1.0	-48.93	326.80	9.70	-39.23
CCC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623724	0	38	-1.0	-47.64	292.69	7.77	-39.87
CCC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623724	1	38	-1.0	-47.72	292.56	7.77	-39.95
CN(C(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004623725	0	29	-1.0	-55.94	257.72	3.40	-52.54
CN(C(=O)C1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004623725	1	29	-1.0	-55.95	257.86	3.40	-52.55
CC(OC1=CC=C(F)C=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004623726	0	30	-1.0	-29.77	272.67	7.07	-22.70
CC(OC1=CC=C(F)C=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004623726	1	30	-1.0	-29.82	272.52	7.09	-22.73
CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004623727	0	27	-1.0	-51.43	254.59	2.23	-49.20
CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004623727	1	27	-1.0	-51.51	254.46	2.25	-49.26
CN(C(=O)CCCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL250004623728	0	32	-1.0	-59.76	276.56	5.84	-53.92
CN(C(=O)CCCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL250004623728	1	32	-1.0	-59.81	276.43	5.88	-53.93
CN(C(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004623729	0	30	-1.0	-51.98	261.38	6.12	-45.86
CN(C(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004623729	1	30	-1.0	-51.92	261.52	6.14	-45.78
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCCCCC1	REAL250004623730	1	37	-1.0	-47.97	272.46	4.10	-43.87
CN(C(=O)CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004623731	0	25	-1.0	-49.42	241.44	4.64	-44.78
CN(C(=O)CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004623731	1	25	-1.0	-49.35	241.58	4.61	-44.74
COCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623732	0	34	-1.0	-49.95	286.66	4.41	-45.54
COCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623732	1	34	-1.0	-50.01	286.52	4.42	-45.59
CC1=CC(OC(F)F)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004623733	0	27	-1.0	-51.04	252.78	5.02	-46.02
CC1=CC(OC(F)F)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004623733	1	27	-1.0	-51.12	252.63	5.03	-46.09
CC1CCCCC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004623734	0	36	-1.0	-49.94	286.13	6.61	-43.33
CC1CCCCC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004623734	1	36	-1.0	-50.01	286.00	6.63	-43.38
CC(CSC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623735	0	33	-1.0	-46.20	282.54	7.52	-38.68
CC(CSC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623735	1	33	-1.0	-46.25	282.41	7.55	-38.70
CN(C(=O)CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL250004623736	0	30	-1.0	-50.80	267.93	5.61	-45.19
CN(C(=O)CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL250004623736	1	30	-1.0	-50.87	267.80	5.64	-45.23
CCC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623737	0	35	-1.0	-46.24	286.61	7.79	-38.45
CCC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623737	1	35	-1.0	-46.32	286.48	7.81	-38.51
CN(C(=O)C1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL250004623738	0	26	-1.0	-48.26	252.48	4.75	-43.51
CN(C(=O)C1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL250004623738	1	26	-1.0	-48.17	252.62	4.73	-43.44
CCCC(CC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623739	0	41	-1.0	-48.34	303.74	7.83	-40.51
CCCC(CC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623739	1	41	-1.0	-48.47	303.60	7.86	-40.61
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623740	0	33	-1.0	-47.92	276.14	7.01	-40.91
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623740	1	33	-1.0	-47.90	276.29	7.01	-40.89
COC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004623741	0	33	-1.0	-42.84	265.45	1.95	-40.89
COC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004623741	1	33	-1.0	-42.85	265.31	1.98	-40.87
COC1=CC=C(C=O)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623742	0	33	-1.0	-61.43	289.21	5.91	-55.52
COC1=CC=C(C=O)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623742	1	33	-1.0	-61.49	289.08	5.94	-55.55
COC1=CC=CC=C1CC(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623743	0	39	-1.0	-35.37	292.99	6.40	-28.97
COC1=CC=CC=C1CC(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623743	1	39	-1.0	-35.45	292.81	6.41	-29.04
CN(C(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL250004623744	0	32	-1.0	-51.88	277.36	4.32	-47.56
CN(C(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL250004623744	1	32	-1.0	-51.82	277.50	4.32	-47.50
CN(C(=O)C(C)(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623745	0	41	-1.0	-32.80	314.96	8.46	-24.34
CN(C(=O)C(C)(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623745	1	41	-1.0	-32.88	314.82	8.48	-24.40
CC(C)C1=NC=CN1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004623746	0	35	-1.0	-44.85	293.50	6.38	-38.47
CC(C)C1=NC=CN1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623746	1	35	-1.0	-44.97	293.36	6.41	-38.56
COC1=CC=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623747	0	27	-1.0	-55.83	244.54	4.53	-51.30
COC1=CC=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623747	1	27	-1.0	-55.78	244.69	4.51	-51.27
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623748	0	32	-1.0	-45.70	269.51	7.13	-38.57
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623748	1	32	-1.0	-45.77	269.38	7.15	-38.62
CCN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004623749	0	39	-1.0	-52.59	317.06	5.98	-46.61
CCN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004623749	1	39	-1.0	-52.64	316.93	6.01	-46.63
CC1=NN=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)O1	REAL250004623750	0	31	-1.0	-48.80	275.86	1.60	-47.20
CC1=NN=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)O1	REAL250004623750	1	31	-1.0	-48.68	276.00	1.60	-47.08
CN(C(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623751	0	28	-1.0	-51.67	258.08	6.64	-45.03
CN(C(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623751	1	28	-1.0	-51.74	257.95	6.67	-45.07
CC1=NNC(C)=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623752	0	35	-1.0	-35.74	278.93	4.70	-31.04
CC1=NNC(C)=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623752	1	35	-1.0	-35.70	279.05	4.68	-31.02
CN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004623753	0	31	-1.0	-43.93	264.06	5.61	-38.32
CN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004623753	1	31	-1.0	-43.88	264.20	5.59	-38.29
CC1=NC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=NN1	REAL250004623754	0	32	-1.0	-50.98	279.18	5.63	-45.35
CC1=NC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=NN1	REAL250004623754	1	32	-1.0	-50.90	279.32	5.64	-45.26
CN(C(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL250004623755	0	29	-1.0	-43.96	265.20	6.13	-37.83
CN(C(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL250004623755	1	29	-1.0	-43.85	265.35	6.10	-37.75
CN(C(=O)C1=C(F)C=C(F)C=C1F)C1=N[N-]N=N1	REAL250004623756	0	23	-1.0	-47.13	228.12	5.27	-41.86
CN(C(=O)C1=C(F)C=C(F)C=C1F)C1=NN=N[N-]1	REAL250004623756	1	23	-1.0	-47.21	227.98	5.29	-41.92
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623757	0	28	-1.0	-59.32	252.98	7.16	-52.16
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623757	1	28	-1.0	-59.25	253.12	7.16	-52.09
CN(C(=O)C(=O)NCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623758	0	30	-1.0	-40.83	272.24	3.80	-37.03
CN(C(=O)C(=O)NCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623758	1	30	-1.0	-40.85	272.11	3.82	-37.03
CCC(C(=O)N(C)C1=N[N-]N=N1)N1CCCC1=O	REAL250004623759	0	33	-1.0	-59.76	264.14	5.64	-54.12
CCC(C(=O)N(C)C1=NN=N[N-]1)N1CCCC1=O	REAL250004623759	1	33	-1.0	-59.78	264.01	5.67	-54.11
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004623760	0	32	-1.0	-43.84	280.30	4.60	-39.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004623760	1	32	-1.0	-43.76	280.44	4.58	-39.18
CC(C)C(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623761	0	44	-1.0	-47.17	316.43	8.33	-38.84
CC(C)C(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623761	1	44	-1.0	-47.25	316.30	8.35	-38.90
CCN1N=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004623762	0	29	-1.0	-44.95	271.92	4.74	-40.21
CCN1N=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004623762	1	29	-1.0	-45.03	271.77	4.77	-40.26
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL250004623764	0	31	-1.0	-47.18	265.59	6.93	-40.25
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL250004623764	1	31	-1.0	-47.11	265.74	6.91	-40.20
CN(C(=O)C1CC1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004623765	0	30	-1.0	-50.35	265.80	7.27	-43.08
CN(C(=O)C1CC1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004623765	1	30	-1.0	-50.42	265.66	7.30	-43.12
CC1=NN(CCCl)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623766	0	32	-1.0	-46.07	292.86	5.47	-40.60
CC1=NN(CCCl)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623766	1	32	-1.0	-46.15	292.71	5.49	-40.66
CC1=CC=C(N2C=CN=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623767	0	33	-1.0	-55.46	285.40	8.07	-47.39
CC1=CC=C(N2C=CN=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623767	1	33	-1.0	-55.50	285.29	8.12	-47.38
CN(C(=O)C1=C(C2CCCO2)OC=N1)C1=NN=N[N-]1	REAL250004623768	0	30	-1.0	-48.49	255.57	2.02	-46.47
CN(C(=O)C1=C(C2CCCO2)OC=N1)C1=N[N-]N=N1	REAL250004623768	1	30	-1.0	-48.42	255.72	2.01	-46.41
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004623769	0	32	-1.0	-47.20	271.11	7.28	-39.92
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004623769	1	32	-1.0	-47.29	270.98	7.29	-40.00
CCC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623770	0	41	-1.0	-33.26	301.82	7.90	-25.36
CCC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623770	1	41	-1.0	-33.34	301.63	7.91	-25.43
CC1=NC(CCC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623771	0	28	-1.0	-46.96	257.51	4.50	-42.46
CC1=NC(CCC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623771	1	28	-1.0	-47.02	257.37	4.52	-42.50
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004623772	0	33	-1.0	-45.64	275.11	7.76	-37.88
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004623772	1	33	-1.0	-45.55	275.25	7.76	-37.79
CN(C(=O)CC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623773	0	33	-1.0	-50.97	267.52	7.74	-43.23
CN(C(=O)CC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623773	1	33	-1.0	-51.06	267.39	7.76	-43.30
CC1CCCC(OCC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004623774	0	36	-1.0	-49.87	287.16	6.57	-43.30
CC1CCCC(OCC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004623774	1	36	-1.0	-49.96	287.02	6.59	-43.37
CC1=CC=CC=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004623775	0	35	-1.0	-45.97	282.13	7.74	-38.23
CC1=CC=CC=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623775	1	35	-1.0	-46.07	281.99	7.76	-38.31
CN(C(=O)C1=CC=CC=C1OC1CCC1)C1=NN=N[N-]1	REAL250004623776	0	34	-1.0	-55.21	277.41	7.59	-47.62
CN(C(=O)C1=CC=CC=C1OC1CCC1)C1=N[N-]N=N1	REAL250004623776	1	34	-1.0	-55.13	277.55	7.58	-47.55
CN(C(=O)CCNC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL250004623777	0	33	-1.0	-57.85	292.40	1.27	-56.58
CN(C(=O)CCNC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL250004623777	1	33	-1.0	-57.99	292.27	1.30	-56.69
CN(C(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL250004623778	0	33	-1.0	-49.50	286.43	6.02	-43.48
CN(C(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL250004623778	1	33	-1.0	-49.61	286.29	6.03	-43.58
CN(C(=O)C1CSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623779	0	28	-1.0	-46.35	247.12	6.56	-39.79
CN(C(=O)C1CSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623779	1	28	-1.0	-46.25	247.22	6.53	-39.72
CN(C(=O)C1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004623780	0	29	-1.0	-34.83	243.83	1.36	-33.47
CN(C(=O)C1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004623780	1	29	-1.0	-34.89	243.68	1.38	-33.51
CN(C(=O)C1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004623781	0	26	-1.0	-51.20	249.90	0.99	-50.21
CN(C(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004623781	1	26	-1.0	-51.27	249.75	1.02	-50.25
CN(C(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004623782	0	33	-1.0	-29.97	269.98	6.33	-23.64
CN(C(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004623782	1	33	-1.0	-30.02	269.85	6.32	-23.70
CC(CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623783	0	38	-1.0	-46.80	282.87	7.16	-39.64
CC(CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623783	1	38	-1.0	-46.90	282.73	7.20	-39.70
CC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1C	REAL250004623784	0	33	-1.0	-46.28	271.80	6.71	-39.57
CC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1C	REAL250004623784	1	33	-1.0	-46.18	271.95	6.68	-39.50
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC(F)=C1	REAL250004623785	0	30	-1.0	-43.64	261.25	6.22	-37.42
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC(F)=C1	REAL250004623785	1	30	-1.0	-43.61	261.39	6.20	-37.41
CC1=NOC(COCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623786	0	28	-1.0	-57.24	255.91	1.94	-55.30
CC1=NOC(COCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623786	1	28	-1.0	-57.34	255.78	1.96	-55.38
CCC(CC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623787	0	38	-1.0	-47.49	286.14	7.26	-40.23
CCC(CC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623787	1	38	-1.0	-47.58	286.01	7.29	-40.29
CC1=CC=C(N2CCCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623788	0	38	-1.0	-52.54	298.19	6.24	-46.30
CC1=CC=C(N2CCCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623788	1	38	-1.0	-52.47	298.34	6.21	-46.26
CCC(OC1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623789	0	36	-1.0	-50.17	278.31	6.33	-43.84
CCC(OC1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623789	1	36	-1.0	-50.26	278.18	6.36	-43.90
CC(OC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623790	0	36	-1.0	-49.66	279.50	6.37	-43.29
CC(OC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623790	1	36	-1.0	-49.71	279.36	6.39	-43.32
CN(C(=O)CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL250004623791	0	31	-1.0	-52.32	280.57	5.98	-46.34
CN(C(=O)CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL250004623791	1	31	-1.0	-52.40	280.43	6.01	-46.39
CCCCCCC(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004623792	0	40	-1.0	-47.19	312.48	7.85	-39.34
CCCCCCC(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004623792	1	40	-1.0	-47.24	312.34	7.87	-39.37
CN(C(=O)C1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL250004623793	0	37	-1.0	-54.52	297.89	8.01	-46.51
CN(C(=O)C1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL250004623793	1	37	-1.0	-54.45	298.04	8.00	-46.45
CN(C(=O)CN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623794	0	34	-1.0	-54.21	285.02	6.62	-47.59
CN(C(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623794	1	34	-1.0	-54.26	284.89	6.64	-47.62
CN(C(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623795	0	36	-1.0	-50.79	299.56	9.40	-41.39
CN(C(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623795	1	36	-1.0	-50.87	299.42	9.41	-41.46
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623796	0	33	-1.0	-33.19	269.46	5.88	-27.31
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623796	1	33	-1.0	-33.23	269.32	5.90	-27.33
CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(C)C)=N1	REAL250004623797	0	33	-1.0	-43.30	276.11	4.85	-38.45
CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(C)C)=N1	REAL250004623797	1	33	-1.0	-43.20	276.25	4.84	-38.36
CCC(SC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623798	0	33	-1.0	-46.97	283.99	7.53	-39.44
CCC(SC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623798	1	33	-1.0	-47.03	283.87	7.55	-39.48
CN(C(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004623799	0	32	-1.0	-55.94	283.92	7.12	-48.82
CN(C(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004623799	1	32	-1.0	-55.83	284.05	7.09	-48.74
COC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C)=C1	REAL250004623800	0	27	-1.0	-53.79	243.01	4.74	-49.05
COC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C)=C1	REAL250004623800	1	27	-1.0	-53.75	243.15	4.76	-48.99
CC1=CC=C(C2=C(C(=O)N(C)C3=NN=N[N-]3)N=CO2)C=C1	REAL250004623801	0	32	-1.0	-52.71	281.95	3.89	-48.82
CC1=CC=C(C2=C(C(=O)N(C)C3=N[N-]N=N3)N=CO2)C=C1	REAL250004623801	1	32	-1.0	-52.65	282.09	3.88	-48.77
CN(C(=O)C1CC12CCOC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004623802	0	35	-1.0	-52.15	280.71	6.97	-45.18
CN(C(=O)C1CC12CCOC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004623802	1	35	-1.0	-52.24	280.55	6.97	-45.27
CN(C(=O)C1=CN(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL250004623803	0	36	-1.0	-46.75	286.22	5.95	-40.80
CN(C(=O)C1=CN(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL250004623803	1	36	-1.0	-46.64	286.36	5.92	-40.72
CNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623804	0	30	-1.0	-60.00	259.44	3.19	-56.81
CNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623804	1	30	-1.0	-59.89	259.58	3.20	-56.69
CC1=CC=CC(Cl)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004623805	0	30	-1.0	-50.80	278.83	7.23	-43.57
CC1=CC=CC(Cl)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004623805	1	30	-1.0	-50.88	278.69	7.25	-43.63
CC1=C(C)N(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)S1	REAL250004623806	0	32	-1.0	-49.71	281.98	5.14	-44.57
CC1=C(C)N(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)S1	REAL250004623806	1	32	-1.0	-49.81	281.85	5.17	-44.64
CN(C(=O)C1(C2=CC=CC(F)=C2)CC1)C1=N[N-]N=N1	REAL250004623807	0	30	-1.0	-46.26	260.33	6.90	-39.36
CN(C(=O)C1(C2=CC=CC(F)=C2)CC1)C1=NN=N[N-]1	REAL250004623807	1	30	-1.0	-46.35	260.20	6.93	-39.42
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC	REAL250004623808	0	31	-1.0	-46.84	262.98	4.03	-42.81
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC	REAL250004623808	1	31	-1.0	-46.77	263.12	4.01	-42.76
CN(C(=O)CCC1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL250004623809	0	26	-1.0	-44.95	258.37	6.38	-38.57
CN(C(=O)CCC1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL250004623809	1	26	-1.0	-45.04	258.23	6.41	-38.63
CC(C)=CCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623810	0	37	-1.0	-51.39	305.95	7.15	-44.24
CC(C)=CCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623810	1	37	-1.0	-51.28	306.08	7.17	-44.11
CN(C(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL250004623811	0	32	-1.0	-52.85	282.91	3.34	-49.51
CN(C(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL250004623811	1	32	-1.0	-52.80	283.05	3.35	-49.45
CN(C(=O)CC1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004623812	0	30	-1.0	-53.37	268.13	6.12	-47.25
CN(C(=O)CC1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004623812	1	30	-1.0	-53.30	268.27	6.08	-47.22
CN(C(=O)C1=CNC(Br)=C1)C1=N[N-]N=N1	REAL250004623813	0	21	-1.0	-50.36	209.51	3.29	-47.07
CN(C(=O)C1=CNC(Br)=C1)C1=NN=N[N-]1	REAL250004623813	1	21	-1.0	-50.35	209.52	3.33	-47.02
COC1=CC=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623814	0	27	-1.0	-53.92	254.04	4.90	-49.02
COC1=CC=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623814	1	27	-1.0	-53.83	254.18	4.89	-48.94
CN(C(=O)C(C)(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623815	0	33	-1.0	-44.23	270.31	4.18	-40.05
CN(C(=O)C(C)(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623815	1	33	-1.0	-44.32	270.17	4.22	-40.10
CC(C)C1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623816	0	32	-1.0	-45.72	291.78	5.16	-40.56
CC(C)C1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623816	1	32	-1.0	-45.81	291.64	5.18	-40.63
CN(C(=O)CC1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623817	0	34	-1.0	-50.17	278.37	6.87	-43.30
CN(C(=O)CC1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623817	1	34	-1.0	-50.19	278.23	6.89	-43.30
CN(C(=O)C(C)(C)NS(C)(=O)=O)C1=N[N-]N=N1	REAL250004623818	0	30	-1.0	-50.34	242.35	-0.17	-50.51
CN(C(=O)C(C)(C)NS(C)(=O)=O)C1=NN=N[N-]1	REAL250004623818	1	30	-1.0	-50.38	242.22	-0.14	-50.52
CN(C(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL250004623819	0	29	-1.0	-47.29	258.54	6.43	-40.86
CN(C(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL250004623819	1	29	-1.0	-47.19	258.68	6.41	-40.78
CN(C(=O)C1(C2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004623820	0	30	-1.0	-56.26	258.25	6.81	-49.45
CN(C(=O)C1(C2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004623820	1	30	-1.0	-56.35	258.11	6.82	-49.53
COC1=CC=C(COCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623821	0	37	-1.0	-46.84	314.79	5.37	-41.47
COC1=CC=C(COCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623821	1	37	-1.0	-46.93	314.66	5.40	-41.53
CN(C(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL250004623822	0	33	-1.0	-54.78	282.80	4.39	-50.39
CN(C(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL250004623822	1	33	-1.0	-54.71	282.93	4.38	-50.33
CN(C(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NN=N[N-]1	REAL250004623823	0	29	-1.0	-57.50	258.11	5.43	-52.07
CN(C(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=N[N-]N=N1	REAL250004623823	1	29	-1.0	-57.44	258.25	5.41	-52.03
CN(C(=O)C1=CC2=C(CCCCC2)NC1=O)C1=NN=N[N-]1	REAL250004623824	0	36	-1.0	-61.80	291.84	4.92	-56.88
CN(C(=O)C1=CC2=C(CCCCC2)NC1=O)C1=N[N-]N=N1	REAL250004623824	1	36	-1.0	-61.73	291.97	4.91	-56.82
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004623825	0	40	-1.0	-50.25	316.09	5.12	-45.13
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004623825	1	40	-1.0	-50.31	315.95	5.13	-45.18
CC(C(=O)N(C)C1=N[N-]N=N1)N(C)CC1=CC=CC=C1	REAL250004623826	0	37	-1.0	-48.68	288.32	5.14	-43.54
CC(C(=O)N(C)C1=NN=N[N-]1)N(C)CC1=CC=CC=C1	REAL250004623826	1	37	-1.0	-48.78	288.19	5.17	-43.61
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004623827	0	25	-1.0	-43.90	248.06	6.12	-37.78
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004623827	1	25	-1.0	-43.99	247.92	6.11	-37.88
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL250004623828	0	29	-1.0	-42.81	267.58	5.31	-37.50
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL250004623828	1	29	-1.0	-42.71	267.72	5.29	-37.42
CC(C)C1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623829	0	41	-1.0	-45.91	324.93	9.14	-36.77
CC(C)C1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623829	1	41	-1.0	-46.00	324.79	9.15	-36.85
CC(CC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623830	0	32	-1.0	-48.19	268.46	7.02	-41.17
CC(CC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623830	1	32	-1.0	-48.30	268.32	7.05	-41.25
CC1=C(Cl)C=CC=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004623831	0	30	-1.0	-50.89	272.90	6.99	-43.90
CC1=C(Cl)C=CC=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004623831	1	30	-1.0	-50.94	272.77	7.02	-43.92
CN(C(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004623832	0	29	-1.0	-49.94	266.56	4.16	-45.78
CN(C(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004623832	1	29	-1.0	-49.90	266.70	4.17	-45.73
CN(C(=O)C(C)(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004623833	0	32	-1.0	-45.72	259.19	6.70	-39.02
CN(C(=O)C(C)(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004623833	1	32	-1.0	-45.80	259.05	6.70	-39.10
CC(C)CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623834	0	38	-1.0	-47.89	303.45	8.22	-39.67
CC(C)CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623834	1	38	-1.0	-47.95	303.31	8.25	-39.70
CN(C(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004623835	0	29	-1.0	-46.09	262.30	4.73	-41.36
CN(C(=O)C1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004623835	1	29	-1.0	-46.01	262.44	4.71	-41.30
CSC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623836	0	30	-1.0	-47.31	260.30	6.78	-40.53
CSC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623836	1	30	-1.0	-47.23	260.44	6.77	-40.46
CN(C)C(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623837	0	35	-1.0	-64.55	289.97	4.63	-59.92
CN(C)C(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623837	1	35	-1.0	-64.44	290.11	4.63	-59.81
CN(C(=O)CC1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL250004623838	0	29	-1.0	-54.58	276.50	4.97	-49.61
CN(C(=O)CC1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL250004623838	1	29	-1.0	-54.48	276.64	4.94	-49.54
CN(C(=O)C1CCCN1CC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004623839	0	37	-1.0	-50.60	302.80	4.58	-46.02
CN(C(=O)C1CCCN1CC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004623839	1	37	-1.0	-50.64	302.67	4.59	-46.05
CN(C(=O)C1=CC=CC=C1CN1C=CC=N1)C1=NN=N[N-]1	REAL250004623840	0	33	-1.0	-55.51	283.76	6.59	-48.92
CN(C(=O)C1=CC=CC=C1CN1C=CC=N1)C1=N[N-]N=N1	REAL250004623840	1	33	-1.0	-55.44	283.90	6.59	-48.85
CN(C(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NN=N[N-]1	REAL250004623841	0	31	-1.0	-48.22	283.97	3.41	-44.81
CN(C(=O)CCC1=NC(C2=COC=C2)=NO1)C1=N[N-]N=N1	REAL250004623841	1	31	-1.0	-48.12	284.11	3.38	-44.74
CN(C(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004623842	0	29	-1.0	-47.27	258.54	5.47	-41.80
CN(C(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004623842	1	29	-1.0	-47.25	258.68	5.46	-41.79
CN(C(=O)C1CC2COCC(C1)C2=O)C1=N[N-]N=N1	REAL250004623843	0	33	-1.0	-47.64	253.68	4.93	-42.71
CN(C(=O)C1CC2COCC(C1)C2=O)C1=NN=N[N-]1	REAL250004623843	1	33	-1.0	-47.76	253.54	4.94	-42.82
CN(C(=O)C(C)(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623844	0	35	-1.0	-32.69	267.78	6.75	-25.94
CN(C(=O)C(C)(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623844	1	35	-1.0	-32.73	267.61	6.75	-25.98
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004623845	0	28	-1.0	-48.38	272.32	7.06	-41.32
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004623845	1	28	-1.0	-48.47	272.19	7.09	-41.38
CC(C)C(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623846	0	38	-1.0	-45.94	295.13	8.05	-37.89
CC(C)C(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623846	1	38	-1.0	-45.98	294.99	8.06	-37.92
CC(=O)N[C@@H](CC(=O)N(C)C1=N[N-]N=N1)C(N)=O	REAL250004623847	0	30	-1.0	-55.77	264.98	-1.31	-57.08
CC(=O)N[C@@H](CC(=O)N(C)C1=NN=N[N-]1)C(N)=O	REAL250004623847	1	30	-1.0	-55.84	264.85	-1.28	-57.12
CN(C(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004623848	0	30	-1.0	-52.19	278.58	6.54	-45.65
CN(C(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004623848	1	30	-1.0	-52.27	278.44	6.57	-45.70
CN(C(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL250004623849	0	30	-1.0	-49.46	259.06	7.32	-42.14
CN(C(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL250004623849	1	30	-1.0	-49.55	258.91	7.31	-42.24
CCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004623850	0	35	-1.0	-52.76	299.43	7.64	-45.12
CCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004623850	1	35	-1.0	-52.70	299.57	7.63	-45.07
CN(C(=O)C1=CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL250004623851	0	26	-1.0	-43.13	239.93	5.87	-37.26
CN(C(=O)C1=CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL250004623851	1	26	-1.0	-43.00	240.07	5.86	-37.14
CN(C(=O)CCCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004623852	0	34	-1.0	-54.91	295.72	4.67	-50.24
CN(C(=O)CCCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004623852	1	34	-1.0	-54.99	295.58	4.70	-50.29
CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004623853	0	42	-1.0	-49.23	320.87	3.86	-45.37
CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004623853	1	42	-1.0	-49.31	320.74	3.88	-45.43
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004623854	0	34	-1.0	-51.14	281.01	7.53	-43.61
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004623854	1	34	-1.0	-51.21	280.88	7.54	-43.67
CN(C(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004623855	0	32	-1.0	-45.03	283.99	6.41	-38.62
CN(C(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004623855	1	32	-1.0	-44.96	284.12	6.39	-38.57
CN(C(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004623856	0	29	-1.0	-44.25	266.17	4.14	-40.11
CN(C(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004623856	1	29	-1.0	-44.17	266.31	4.15	-40.02
CC1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623857	0	24	-1.0	-43.85	228.97	4.44	-39.41
CC1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623857	1	24	-1.0	-43.90	228.84	4.45	-39.45
CN(C(=O)C1(O)CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004623858	0	31	-1.0	-44.71	258.11	3.87	-40.84
CN(C(=O)C1(O)CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004623858	1	31	-1.0	-44.76	257.98	3.89	-40.87
CN(C(=O)C1=CC=NC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004623859	0	36	-1.0	-44.54	291.74	6.88	-37.66
CN(C(=O)C1=CC=NC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004623859	1	36	-1.0	-44.48	291.88	6.87	-37.61
CC1=NOC(C)=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623860	0	34	-1.0	-45.58	273.88	5.52	-40.06
CC1=NOC(C)=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623860	1	34	-1.0	-45.60	273.74	5.55	-40.05
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2C=C1	REAL250004623861	0	31	-1.0	-60.96	266.19	6.15	-54.81
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2C=C1	REAL250004623861	1	31	-1.0	-60.91	266.33	6.15	-54.76
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004623862	0	29	-1.0	-57.93	251.85	7.01	-50.92
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004623862	1	29	-1.0	-57.84	252.01	6.99	-50.85
CN(C(=O)C1CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL250004623863	0	28	-1.0	-48.64	247.79	6.09	-42.55
CN(C(=O)C1CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL250004623863	1	28	-1.0	-48.70	247.66	6.12	-42.58
CC(CCC1=CC=CC(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623866	0	35	-1.0	-33.40	291.00	8.26	-25.14
CC(CCC1=CC=CC(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623866	1	35	-1.0	-33.45	290.90	8.26	-25.19
CN(C(=O)C1=C(N)C(=O)NC(=O)N1)C1=NN=N[N-]1	REAL250004623867	0	25	-1.0	-40.14	232.55	-2.78	-42.92
CN(C(=O)C1=C(N)C(=O)NC(=O)N1)C1=N[N-]N=N1	REAL250004623867	1	25	-1.0	-40.00	232.69	-2.80	-42.80
COC(=O)C1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004623868	0	35	-1.0	-33.31	273.09	6.11	-27.20
COC(=O)C1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004623868	1	35	-1.0	-33.31	272.94	6.13	-27.18
CN(C(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL250004623870	0	28	-1.0	-44.59	263.55	4.23	-40.36
CN(C(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL250004623870	1	28	-1.0	-44.50	263.68	4.21	-40.29
CN(C(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=NN=N[N-]1	REAL250004623871	0	28	-1.0	-49.32	256.10	3.87	-45.45
CN(C(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=N[N-]N=N1	REAL250004623871	1	28	-1.0	-49.27	256.24	3.86	-45.41
CSC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623872	0	34	-1.0	-50.16	293.62	7.27	-42.89
CSC1=CC=C(OC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623872	1	34	-1.0	-50.22	293.48	7.29	-42.93
CCCNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623873	0	36	-1.0	-59.38	302.43	4.79	-54.59
CCCNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623873	1	36	-1.0	-59.21	302.57	4.80	-54.41
CC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL250004623874	0	31	-1.0	-57.29	275.92	1.56	-55.73
CC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL250004623874	1	31	-1.0	-57.21	276.05	1.57	-55.64
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C(C)C)=N1	REAL250004623875	0	35	-1.0	-50.13	289.74	5.47	-44.66
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C(C)C)=N1	REAL250004623875	1	35	-1.0	-50.04	289.89	5.45	-44.59
CN(C(=O)CCCOC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004623876	0	32	-1.0	-51.79	275.98	4.61	-47.18
CN(C(=O)CCCOC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004623876	1	32	-1.0	-51.69	276.11	4.58	-47.11
CCC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623877	0	38	-1.0	-46.02	307.59	8.65	-37.37
CCC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623877	1	38	-1.0	-46.11	307.46	8.66	-37.45
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004623878	0	38	-1.0	-46.03	305.81	8.52	-37.51
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004623878	1	38	-1.0	-46.07	305.67	8.55	-37.52
COCC(=O)N[C@H](C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004623879	0	36	-1.0	-45.28	289.81	3.11	-42.17
COCC(=O)N[C@H](C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004623879	1	36	-1.0	-45.37	289.68	3.12	-42.25
CN(C(=O)C1(C2=CC=CS2)CCCCC1)C1=N[N-]N=N1	REAL250004623881	0	36	-1.0	-47.40	281.53	7.28	-40.12
CN(C(=O)C1(C2=CC=CS2)CCCCC1)C1=NN=N[N-]1	REAL250004623881	1	36	-1.0	-47.45	281.40	7.29	-40.16
CC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004623882	0	33	-1.0	-52.38	282.87	6.70	-45.68
CC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004623882	1	33	-1.0	-52.31	283.00	6.67	-45.64
CCC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004623883	0	36	-1.0	-45.48	298.70	8.67	-36.81
CCC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004623883	1	36	-1.0	-45.42	298.84	8.68	-36.74
CC(C)NC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623885	0	33	-1.0	-46.55	275.63	4.98	-41.57
CC(C)NC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623885	1	33	-1.0	-46.65	275.49	5.01	-41.64
CC(C)CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004623887	0	34	-1.0	-45.93	285.33	4.83	-41.10
CC(C)CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004623887	1	34	-1.0	-45.86	285.47	4.81	-41.05
CN(C(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004623888	0	35	-1.0	-49.47	293.31	7.24	-42.23
CN(C(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004623888	1	35	-1.0	-49.40	293.48	7.23	-42.17
CC1=C2NC=C(CCC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004623889	0	36	-1.0	-49.37	304.40	7.48	-41.89
CC1=C2NC=C(CCC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004623889	1	36	-1.0	-49.48	304.27	7.51	-41.97
CCCCCCCCOCC(=O)N(C)C1=N[N-]N=N1	REAL250004623890	0	41	-1.0	-49.76	333.42	8.00	-41.76
CCCCCCCCOCC(=O)N(C)C1=NN=N[N-]1	REAL250004623890	1	41	-1.0	-49.91	333.29	8.03	-41.88
CN(C(=O)C1=C(CCC(F)(F)F)OC=N1)C1=NN=N[N-]1	REAL250004623891	0	28	-1.0	-47.76	260.33	3.68	-44.08
CN(C(=O)C1=C(CCC(F)(F)F)OC=N1)C1=N[N-]N=N1	REAL250004623891	1	28	-1.0	-47.72	260.46	3.65	-44.07
CCC(CC)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623892	0	38	-1.0	-32.25	274.55	7.23	-25.02
CCC(CC)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623892	1	38	-1.0	-32.23	274.45	7.16	-25.07
CN(C(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=N[N-]N=N1	REAL250004623893	0	31	-1.0	-50.77	279.48	3.95	-46.82
CN(C(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NN=N[N-]1	REAL250004623893	1	31	-1.0	-50.80	279.33	3.98	-46.82
CC1=C(C)C=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004623894	0	32	-1.0	-45.02	271.70	7.02	-38.00
CC1=C(C)C=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004623894	1	32	-1.0	-44.93	271.84	7.00	-37.93
CC(CCC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623895	0	35	-1.0	-51.15	289.59	7.82	-43.33
CC(CCC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623895	1	35	-1.0	-51.24	289.45	7.85	-43.39
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004623896	0	32	-1.0	-36.92	273.04	7.33	-29.59
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004623896	1	32	-1.0	-36.99	272.88	7.35	-29.64
CC1=NOC(C(F)(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623897	0	25	-1.0	-39.95	246.69	4.41	-35.54
CC1=NOC(C(F)(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623897	1	25	-1.0	-39.97	246.55	4.43	-35.54
CN(C(=O)C1=CNC=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623898	0	31	-1.0	-56.02	269.83	6.54	-49.48
CN(C(=O)C1=CNC=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623898	1	31	-1.0	-55.96	269.96	6.53	-49.43
CCCCCCC(C)(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004623899	0	43	-1.0	-31.38	312.07	7.63	-23.75
CCCCCCC(C)(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004623899	1	43	-1.0	-31.44	311.93	7.62	-23.82
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004623900	0	29	-1.0	-44.04	252.30	6.31	-37.73
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004623900	1	29	-1.0	-44.12	252.17	6.33	-37.79
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004623901	0	29	-1.0	-50.65	253.57	6.35	-44.30
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004623901	1	29	-1.0	-50.73	253.43	6.37	-44.36
CCCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004623902	0	28	-1.0	-45.46	251.69	4.32	-41.14
CCCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004623902	1	28	-1.0	-45.56	251.54	4.34	-41.22
CN(C(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=N[N-]N=N1	REAL250004623903	0	40	-1.0	-51.72	302.91	4.27	-47.45
CN(C(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NN=N[N-]1	REAL250004623903	1	40	-1.0	-51.78	302.78	4.29	-47.49
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004623904	0	29	-1.0	-45.84	257.60	6.73	-39.11
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004623904	1	29	-1.0	-45.91	257.46	6.76	-39.15
CCC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)O2)C=C1	REAL250004623905	0	36	-1.0	-45.75	308.80	8.63	-37.12
CCC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)O2)C=C1	REAL250004623905	1	36	-1.0	-45.74	308.95	8.60	-37.14
CN(C(=O)C1(C)CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004623906	0	36	-1.0	-46.29	273.22	7.44	-38.85
CN(C(=O)C1(C)CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004623906	1	36	-1.0	-46.38	273.09	7.47	-38.91
CN(C(=O)C1=CC=C(OC2CCC2)C=C1)C1=NN=N[N-]1	REAL250004623907	0	34	-1.0	-47.01	279.49	6.51	-40.50
CN(C(=O)C1=CC=C(OC2CCC2)C=C1)C1=N[N-]N=N1	REAL250004623907	1	34	-1.0	-46.95	279.62	6.49	-40.46
CC1=CC=C(Br)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623908	0	26	-1.0	-44.78	243.31	6.21	-38.57
CC1=CC=C(Br)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623908	1	26	-1.0	-44.84	243.17	6.23	-38.61
CN(C(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004623909	0	38	-1.0	-50.20	298.33	8.91	-41.29
CN(C(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004623909	1	38	-1.0	-50.13	298.46	8.90	-41.23
CN(C(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004623910	0	34	-1.0	-55.00	293.56	8.27	-46.73
CN(C(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004623910	1	34	-1.0	-54.92	293.71	8.25	-46.67
CN(C(=O)C1=CN=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004623911	0	25	-1.0	-45.96	234.46	4.40	-41.56
CN(C(=O)C1=CN=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004623911	1	25	-1.0	-45.96	234.61	4.38	-41.58
CC1=NOC(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004623912	0	31	-1.0	-58.11	272.25	5.19	-52.92
CC1=NOC(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004623912	1	31	-1.0	-58.04	272.38	5.20	-52.84
CN(C(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL250004623913	0	28	-1.0	-44.07	257.41	4.49	-39.58
CN(C(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL250004623913	1	28	-1.0	-43.99	257.55	4.49	-39.50
CN(C(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004623914	0	36	-1.0	-53.72	304.67	4.64	-49.08
CN(C(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004623914	1	36	-1.0	-53.63	304.81	4.61	-49.02
CN(C(=O)C1CCSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623915	0	31	-1.0	-48.05	266.21	7.10	-40.95
CN(C(=O)C1CCSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623915	1	31	-1.0	-48.03	266.08	7.11	-40.92
CN(C(=O)C1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004623916	0	23	-1.0	-50.45	220.05	5.44	-45.01
CN(C(=O)C1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004623916	1	23	-1.0	-50.36	220.19	5.45	-44.91
CCOC1=C(F)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623917	0	30	-1.0	-52.07	264.75	5.97	-46.10
CCOC1=C(F)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623917	1	30	-1.0	-52.00	264.90	5.95	-46.05
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004623918	0	33	-1.0	-58.81	285.74	6.73	-52.08
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004623918	1	33	-1.0	-58.86	285.60	6.75	-52.11
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL250004623919	0	34	-1.0	-48.12	277.70	7.59	-40.53
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL250004623919	1	34	-1.0	-48.01	277.84	7.60	-40.41
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL250004623920	0	32	-1.0	-50.60	271.57	8.38	-42.22
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL250004623920	1	32	-1.0	-50.57	271.71	8.37	-42.20
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623921	0	32	-1.0	-50.19	275.48	8.14	-42.05
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623921	1	32	-1.0	-50.14	275.62	8.12	-42.02
CC1=NC(SCC(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004623922	0	26	-1.0	-50.60	248.54	3.52	-47.08
CC1=NC(SCC(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004623922	1	26	-1.0	-50.69	248.40	3.55	-47.14
CC(C(=O)N(C)C1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004623923	0	34	-1.0	-54.05	295.18	5.32	-48.73
CC(C(=O)N(C)C1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL250004623923	1	34	-1.0	-54.19	295.05	5.35	-48.84
CN(C(=O)C1CC12CCC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004623924	0	34	-1.0	-46.30	282.95	8.24	-38.06
CN(C(=O)C1CC12CCC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004623924	1	34	-1.0	-46.37	282.81	8.26	-38.11
COCCCOC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004623925	0	37	-1.0	-52.98	308.75	5.01	-47.97
COCCCOC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004623925	1	37	-1.0	-53.03	308.61	5.00	-48.03
CC1=NN(C)C(C)=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623926	0	38	-1.0	-48.64	300.08	5.58	-43.06
CC1=NN(C)C(C)=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623926	1	38	-1.0	-48.72	299.94	5.61	-43.11
CN(C(=O)C1=CC2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL250004623927	0	26	-1.0	-46.01	240.31	5.87	-40.14
CN(C(=O)C1=CC2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL250004623927	1	26	-1.0	-45.93	240.46	5.85	-40.08
CC1=CC=CC(C)=C1NCC(=O)N(C)C1=N[N-]N=N1	REAL250004623928	0	34	-1.0	-46.01	282.40	5.71	-40.30
CC1=CC=CC(C)=C1NCC(=O)N(C)C1=NN=N[N-]1	REAL250004623928	1	34	-1.0	-46.08	282.27	5.74	-40.34
CN(C(=O)C1=CNC(=O)C(Br)=C1)C1=N[N-]N=N1	REAL250004623929	0	23	-1.0	-47.17	235.09	2.69	-44.48
CN(C(=O)C1=CNC(=O)C(Br)=C1)C1=NN=N[N-]1	REAL250004623929	1	23	-1.0	-47.16	234.96	2.69	-44.47
CCC(CC)C(C(=O)N(C)C1=N[N-]N=N1)N1CCOCC1	REAL250004623930	0	44	-1.0	-48.68	309.27	5.51	-43.17
CCC(CC)C(C(=O)N(C)C1=NN=N[N-]1)N1CCOCC1	REAL250004623930	1	44	-1.0	-48.81	309.14	5.52	-43.29
CN(C(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NN=N[N-]1	REAL250004623931	0	29	-1.0	-55.96	265.53	5.62	-50.34
CN(C(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=N[N-]N=N1	REAL250004623931	1	29	-1.0	-55.89	265.67	5.62	-50.27
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL250004623932	0	35	-1.0	-44.38	291.39	5.99	-38.39
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL250004623932	1	35	-1.0	-44.53	291.25	6.02	-38.51
CN(C(=O)C1CC12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004623933	0	37	-1.0	-53.58	288.74	8.89	-44.69
CN(C(=O)C1CC12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004623933	1	37	-1.0	-53.68	288.59	8.88	-44.80
CC(CC(=O)C1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623934	0	34	-1.0	-46.91	286.47	7.00	-39.91
CC(CC(=O)C1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623934	1	34	-1.0	-46.96	286.34	7.03	-39.93
CCCCCCC(C)(CCC)C(=O)N(C)C1=N[N-]N=N1	REAL250004623935	0	46	-1.0	-31.62	333.87	8.25	-23.37
CCCCCCC(C)(CCC)C(=O)N(C)C1=NN=N[N-]1	REAL250004623935	1	46	-1.0	-31.73	333.68	8.26	-23.47
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004623936	0	35	-1.0	-45.43	300.34	8.07	-37.36
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004623936	1	35	-1.0	-45.53	300.21	8.10	-37.43
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=S)N=C(C2CC2)N1	REAL250004623937	0	32	-1.0	-77.56	291.56	6.06	-71.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=S)N=C(C2CC2)N1	REAL250004623937	1	32	-1.0	-77.43	291.69	6.03	-71.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)NC(C(C)(C)C)=N1	REAL250004623938	0	37	-1.0	-56.81	306.78	4.27	-52.54
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)NC(C(C)(C)C)=N1	REAL250004623938	1	37	-1.0	-56.55	307.20	4.38	-52.17
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)NC(C(C)C)=N1	REAL250004623939	0	34	-1.0	-56.43	288.85	3.64	-52.79
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)NC(C(C)C)=N1	REAL250004623939	1	34	-1.0	-56.13	289.26	3.70	-52.43
CN(C(=O)C1=NNC(C2=CC=CC=C2O)=C1)C1=NN=N[N-]1	REAL250004623940	0	31	-1.0	-50.15	275.00	3.02	-47.13
CN(C(=O)C1=NNC(C2=CC=CC=C2O)=C1)C1=N[N-]N=N1	REAL250004623940	1	31	-1.0	-50.10	275.15	3.00	-47.10
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004623941	0	37	-1.0	-50.23	299.60	5.42	-44.81
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004623941	1	37	-1.0	-50.33	299.46	5.45	-44.88
CC1=CC2=C(C=C1C)OC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004623942	0	34	-1.0	-51.04	279.21	7.21	-43.83
CC1=CC2=C(C=C1C)OC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004623942	1	34	-1.0	-51.09	279.08	7.22	-43.87
CN(C(=O)C1=CC=C(F)C=C1OC(F)F)C1=N[N-]N=N1	REAL250004623943	0	27	-1.0	-47.72	249.57	5.13	-42.59
CN(C(=O)C1=CC=C(F)C=C1OC(F)F)C1=NN=N[N-]1	REAL250004623943	1	27	-1.0	-47.81	249.43	5.15	-42.66
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL250004623944	0	27	-1.0	-47.01	239.99	3.85	-43.16
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL250004623944	1	27	-1.0	-46.96	240.13	3.82	-43.14
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)NC2=CC=CC=C21	REAL250004623945	0	32	-1.0	-59.84	276.63	4.66	-55.18
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)NC2=CC=CC=C21	REAL250004623945	1	32	-1.0	-59.79	276.77	4.65	-55.14
CN(C(=O)C1CC1C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004623946	0	30	-1.0	-45.89	260.81	7.29	-38.60
CN(C(=O)C1CC1C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004623946	1	30	-1.0	-46.00	260.67	7.31	-38.69
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623947	0	35	-1.0	-48.55	283.47	7.59	-40.96
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004623947	1	35	-1.0	-48.44	283.61	7.56	-40.88
CN(C(=O)CCCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004623948	0	35	-1.0	-47.43	310.99	8.86	-38.57
CN(C(=O)CCCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004623948	1	35	-1.0	-47.51	310.86	8.89	-38.62
CCCOC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623949	0	39	-1.0	-46.84	324.12	7.81	-39.03
CCCOC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623949	1	39	-1.0	-46.91	323.98	7.83	-39.08
CN(C(=O)CC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004623950	0	26	-1.0	-48.16	241.69	6.08	-42.08
CN(C(=O)CC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004623950	1	26	-1.0	-48.24	241.55	6.11	-42.13
CCC(OC1=CC=CC(C)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623951	0	36	-1.0	-33.64	286.87	7.67	-25.97
CCC(OC1=CC=CC(C)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623951	1	36	-1.0	-33.71	286.75	7.69	-26.02
CN(C(=O)C1SCCC2=C1C=CS2)C1=N[N-]N=N1	REAL250004623952	0	28	-1.0	-48.52	258.21	6.38	-42.14
CN(C(=O)C1SCCC2=C1C=CS2)C1=NN=N[N-]1	REAL250004623952	1	28	-1.0	-48.61	258.07	6.40	-42.21
CC(CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004623953	0	39	-1.0	-54.46	315.72	4.02	-50.44
CC(CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004623953	1	39	-1.0	-54.52	315.59	4.05	-50.47
CN(C(=O)C1=CC=CC=C1CN1C=NC=N1)C1=NN=N[N-]1	REAL250004623954	0	32	-1.0	-55.99	278.48	8.02	-47.97
CN(C(=O)C1=CC=CC=C1CN1C=NC=N1)C1=N[N-]N=N1	REAL250004623954	1	32	-1.0	-55.93	278.64	8.03	-47.90
CN(C(=O)C(C)(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623955	0	33	-1.0	-32.71	252.92	5.85	-26.86
CN(C(=O)C(C)(C)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623955	1	33	-1.0	-32.77	252.78	5.84	-26.93
CN(C(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL250004623956	0	26	-1.0	-57.14	240.29	-1.02	-58.16
CN(C(=O)C1=CN(CC(N)=O)N=N1)C1=N[N-]N=N1	REAL250004623956	1	26	-1.0	-57.04	240.43	-1.05	-58.09
CN(C(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL250004623957	0	29	-1.0	-46.93	274.90	4.89	-42.04
CN(C(=O)C1=CN(CC2=CC=CS2)N=N1)C1=N[N-]N=N1	REAL250004623957	1	29	-1.0	-46.80	275.04	4.87	-41.93
CN(C(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004623958	0	39	-1.0	-33.20	295.67	8.94	-24.26
CN(C(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004623958	1	39	-1.0	-33.25	295.53	8.96	-24.29
C#CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623959	0	29	-1.0	-49.32	258.68	5.69	-43.63
C#CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623959	1	29	-1.0	-49.24	258.82	5.68	-43.56
CC(C)CC(=O)NCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623960	0	35	-1.0	-56.04	289.18	3.46	-52.58
CC(C)CC(=O)NCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623960	1	35	-1.0	-56.11	289.05	3.50	-52.61
CC(CSC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623961	0	26	-1.0	-43.82	246.80	5.10	-38.72
CC(CSC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623961	1	26	-1.0	-43.92	246.66	5.14	-38.78
CN(C(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004623962	0	31	-1.0	-50.72	266.28	7.25	-43.47
CN(C(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004623962	1	31	-1.0	-50.59	266.41	7.23	-43.36
CN(C(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004623963	0	35	-1.0	-49.51	302.72	8.99	-40.52
CN(C(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623963	1	35	-1.0	-49.61	302.59	9.02	-40.59
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004623964	0	40	-1.0	-52.43	324.95	5.35	-47.08
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004623964	1	40	-1.0	-52.52	324.81	5.38	-47.14
CN(C(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL250004623965	0	33	-1.0	-56.29	282.20	6.20	-50.09
CN(C(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL250004623965	1	33	-1.0	-56.26	282.34	6.20	-50.06
CC1=CC=C2C(CCC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004623966	0	36	-1.0	-49.25	304.55	7.50	-41.75
CC1=CC=C2C(CCC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004623966	1	36	-1.0	-49.30	304.41	7.52	-41.78
CN(C(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004623967	0	28	-1.0	-53.21	243.43	5.43	-47.78
CN(C(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004623967	1	28	-1.0	-53.36	242.84	5.38	-47.98
CCOC(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004623968	0	32	-1.0	-46.22	284.45	3.51	-42.71
CCOC(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004623968	1	32	-1.0	-46.27	284.30	3.53	-42.74
COCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004623969	0	33	-1.0	-46.16	284.64	1.75	-44.41
COCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004623969	1	33	-1.0	-46.10	284.77	1.76	-44.34
CC1=C(Br)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004623970	0	26	-1.0	-46.00	240.46	6.08	-39.92
CC1=C(Br)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004623970	1	26	-1.0	-46.04	240.32	6.09	-39.95
CN(C(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004623971	0	34	-1.0	-45.22	297.96	3.69	-41.53
CN(C(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004623971	1	34	-1.0	-45.31	297.82	3.71	-41.60
CCC(OC1CCCC(C)C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623972	0	42	-1.0	-32.82	315.54	7.67	-25.15
CCC(OC1CCCC(C)C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623972	1	42	-1.0	-32.85	315.40	7.68	-25.17
CC(CCOC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004623973	0	36	-1.0	-50.90	292.48	6.60	-44.30
CC(CCOC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004623973	1	36	-1.0	-50.93	292.34	6.64	-44.29
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Br	REAL250004623974	0	26	-1.0	-45.01	242.57	6.11	-38.90
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Br	REAL250004623974	1	26	-1.0	-45.11	242.43	6.10	-39.01
CN(C(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NN=N[N-]1	REAL250004623975	0	31	-1.0	-47.87	265.61	2.64	-45.23
CN(C(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=N[N-]N=N1	REAL250004623975	1	31	-1.0	-47.81	265.73	2.63	-45.18
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL250004623977	0	26	-1.0	-52.79	247.98	6.03	-46.76
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL250004623977	1	26	-1.0	-52.85	247.84	6.04	-46.81
CN(C(=O)C1=CNN=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004623978	0	29	-1.0	-51.59	256.40	3.14	-48.45
CN(C(=O)C1=CNN=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004623978	1	29	-1.0	-51.66	256.28	3.16	-48.50
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(N)C([N+](=O)[O-])=C1	REAL250004623979	0	30	-1.0	-44.99	261.26	4.52	-40.47
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(N)C([N+](=O)[O-])=C1	REAL250004623979	1	30	-1.0	-44.94	261.40	4.52	-40.42
CN(C(=O)C1=C(C(C)(C)C)N=CS1)C1=NN=N[N-]1	REAL250004623980	0	31	-1.0	-45.43	263.52	5.28	-40.15
CN(C(=O)C1=C(C(C)(C)C)N=CS1)C1=N[N-]N=N1	REAL250004623980	1	31	-1.0	-45.32	263.66	5.29	-40.03
CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004623981	0	32	-1.0	-50.80	280.10	2.65	-48.15
CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004623981	1	32	-1.0	-50.91	279.96	2.67	-48.24
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004623982	0	42	-1.0	-35.54	323.27	5.81	-29.73
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004623982	1	42	-1.0	-35.63	323.12	5.84	-29.79
CN(C(=O)C1=C(F)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL250004623983	0	26	-1.0	-53.67	238.35	6.36	-47.31
CN(C(=O)C1=C(F)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL250004623983	1	26	-1.0	-53.62	238.50	6.34	-47.28
COC(=O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004623984	0	28	-1.0	-58.51	261.70	2.54	-55.97
COC(=O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004623984	1	28	-1.0	-58.41	261.83	2.52	-55.89
CC(C1=CC=CC=C1)C(C)(O)C(=O)N(C)C1=N[N-]N=N1	REAL250004623985	0	36	-1.0	-44.00	281.69	5.16	-38.84
CC(C1=CC=CC=C1)C(C)(O)C(=O)N(C)C1=NN=N[N-]1	REAL250004623985	1	36	-1.0	-44.09	281.56	5.19	-38.90
CN(C(=O)C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004623986	0	23	-1.0	-50.07	240.58	5.98	-44.09
CN(C(=O)C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004623986	1	23	-1.0	-49.96	240.72	5.98	-43.98
CN(C(=O)CSC1=NNC(=S)S1)C1=N[N-]N=N1	REAL250004623987	1	23	-1.0	-45.32	254.64	3.35	-41.97
CN(C(=O)CSC1=NNC(=S)S1)C1=NN=N[N-]1	REAL250004623987	1	23	-1.0	-45.38	254.51	3.38	-42.00
CN(C(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL250004623988	0	29	-1.0	-49.72	264.12	6.39	-43.33
CN(C(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL250004623988	1	29	-1.0	-49.82	263.98	6.43	-43.39
CN(C(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL250004623989	0	22	-1.0	-42.62	218.45	3.54	-39.08
CN(C(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL250004623989	1	22	-1.0	-42.56	218.58	3.55	-39.01
CN(C(=O)C1=C(F)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL250004623990	0	23	-1.0	-46.62	234.29	5.32	-41.30
CN(C(=O)C1=C(F)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL250004623990	1	23	-1.0	-46.69	234.15	5.34	-41.35
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004623991	0	26	-1.0	-30.13	249.56	6.35	-23.78
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004623991	1	26	-1.0	-30.16	249.40	6.36	-23.80
CC1=NC(CCCC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004623992	0	31	-1.0	-52.79	279.01	5.28	-47.51
CC1=NC(CCCC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004623992	1	31	-1.0	-52.89	278.87	5.31	-47.58
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=NN1	REAL250004623993	0	26	-1.0	-47.94	250.13	3.03	-44.91
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=NN1	REAL250004623993	1	26	-1.0	-48.03	249.99	3.05	-44.98
CN(C(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004623994	0	30	-1.0	-48.74	267.31	7.35	-41.39
CN(C(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004623994	1	30	-1.0	-48.86	267.18	7.38	-41.48
CCC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004623995	0	38	-1.0	-50.09	295.68	8.31	-41.78
CCC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004623995	1	38	-1.0	-50.23	295.55	8.31	-41.92
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL250004623996	0	31	-1.0	-47.35	270.43	4.67	-42.68
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL250004623996	1	31	-1.0	-47.30	270.56	4.67	-42.63
CN(C(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004623997	0	37	-1.0	-52.67	311.37	7.24	-45.43
CN(C(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004623997	1	37	-1.0	-52.72	311.24	7.26	-45.46
CCC(OC1=CC=CC=C1F)C(=O)N(C)C1=N[N-]N=N1	REAL250004623998	0	33	-1.0	-55.08	274.40	6.87	-48.21
CCC(OC1=CC=CC=C1F)C(=O)N(C)C1=NN=N[N-]1	REAL250004623998	1	33	-1.0	-55.16	274.27	6.88	-48.28
CN(C(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004623999	0	30	-1.0	-47.26	260.82	7.02	-40.24
CN(C(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004623999	1	30	-1.0	-47.19	260.97	7.00	-40.19
CC1=CC(CCCC(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004624000	0	35	-1.0	-49.30	302.49	7.95	-41.35
CC1=CC(CCCC(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004624000	1	35	-1.0	-49.43	302.36	7.99	-41.44
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004624001	0	35	-1.0	-34.67	285.72	8.85	-25.82
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004624001	1	35	-1.0	-34.61	285.85	8.83	-25.78
CN(C(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL250004624002	0	26	-1.0	-45.19	250.64	6.31	-38.88
CN(C(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL250004624002	1	26	-1.0	-45.13	250.78	6.30	-38.83
CCC(C)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624003	0	36	-1.0	-47.04	291.28	6.56	-40.48
CCC(C)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624003	1	36	-1.0	-46.94	291.43	6.56	-40.38
CN(C(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL250004624004	0	28	-1.0	-47.32	247.30	4.10	-43.22
CN(C(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL250004624004	1	28	-1.0	-47.26	247.44	4.09	-43.17
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004624005	0	28	-1.0	-50.27	253.57	3.79	-46.48
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004624005	1	28	-1.0	-50.22	253.71	3.77	-46.45
CN(C(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL250004624006	0	34	-1.0	-45.34	278.48	3.30	-42.04
CN(C(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL250004624006	1	34	-1.0	-45.41	278.34	3.34	-42.07
CC1=CC(O)=CC(=O)N1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004624007	0	33	-1.0	-54.18	281.27	2.58	-51.60
CC1=CC(O)=CC(=O)N1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004624007	1	33	-1.0	-54.28	281.14	2.62	-51.66
CC1=CC(O)=CC(=O)N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624008	0	30	-1.0	-57.24	261.28	2.10	-55.14
CC1=CC(O)=CC(=O)N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624008	1	30	-1.0	-57.37	261.14	2.13	-55.24
CC1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004624009	0	28	-1.0	-53.65	254.80	7.17	-46.48
CC1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004624009	1	28	-1.0	-53.60	254.95	7.18	-46.42
CN(C(=O)C(F)(F)C1=CNC(=O)NC1=O)C1=N[N-]N=N1	REAL250004624010	0	26	-1.0	-55.04	241.09	1.48	-53.56
CN(C(=O)C(F)(F)C1=CNC(=O)NC1=O)C1=NN=N[N-]1	REAL250004624010	1	26	-1.0	-55.15	240.96	1.50	-53.65
COC1=CC=CC(C(C)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624011	0	36	-1.0	-48.42	294.20	6.49	-41.93
COC1=CC=CC(C(C)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624011	1	36	-1.0	-48.47	294.07	6.50	-41.97
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004624012	0	31	-1.0	-44.46	276.49	7.23	-37.23
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004624012	1	31	-1.0	-44.53	276.35	7.22	-37.31
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL250004624013	0	31	-1.0	-46.54	260.13	5.77	-40.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL250004624013	1	31	-1.0	-46.44	260.26	5.77	-40.67
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(F)C=C1F	REAL250004624014	0	26	-1.0	-47.32	236.57	5.71	-41.61
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(F)C=C1F	REAL250004624014	1	26	-1.0	-47.25	236.71	5.71	-41.54
CN(C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004624015	0	23	-1.0	-49.91	218.76	5.08	-44.83
CN(C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004624015	1	23	-1.0	-49.97	218.63	5.07	-44.90
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC2=CC=CC=C21	REAL250004624016	0	31	-1.0	-57.62	273.01	6.90	-50.72
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC2=CC=CC=C21	REAL250004624016	1	31	-1.0	-57.56	273.15	6.90	-50.66
CN(C(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004624017	0	34	-1.0	-49.12	294.18	2.40	-46.72
CN(C(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004624017	1	34	-1.0	-49.22	294.05	2.44	-46.78
CC(CC(=O)N(C)C1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL250004624018	0	34	-1.0	-44.84	293.36	7.18	-37.66
CC(CC(=O)N(C)C1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL250004624018	1	34	-1.0	-44.91	293.23	7.19	-37.72
CC1=CC=C2NC=C(CCC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624019	0	36	-1.0	-49.41	304.54	7.50	-41.91
CC1=CC=C2NC=C(CCC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624019	1	36	-1.0	-49.45	304.41	7.54	-41.91
CC1=NOC(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624020	0	25	-1.0	-45.71	241.48	4.36	-41.35
CC1=NOC(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624020	1	25	-1.0	-45.80	241.34	4.37	-41.43
CCC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004624021	0	33	-1.0	-52.65	284.21	7.35	-45.30
CCC(OC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004624021	1	33	-1.0	-52.70	284.07	7.36	-45.34
CN(C(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NN=N[N-]1	REAL250004624022	0	33	-1.0	-49.88	284.22	6.11	-43.77
CN(C(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=N[N-]N=N1	REAL250004624022	1	33	-1.0	-49.86	284.35	6.11	-43.75
CN(C(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL250004624023	0	20	-1.0	-46.61	205.32	4.02	-42.59
CN(C(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL250004624023	1	20	-1.0	-46.76	205.17	4.03	-42.73
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004624024	0	32	-1.0	-35.72	270.76	7.80	-27.92
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004624024	1	32	-1.0	-35.71	270.89	7.79	-27.92
CN(C(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004624025	0	34	-1.0	-51.45	294.26	2.38	-49.07
CN(C(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004624025	1	34	-1.0	-51.54	294.12	2.41	-49.13
CN(C(=O)C1=CNC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004624026	0	26	-1.0	-52.27	234.22	1.50	-50.77
CN(C(=O)C1=CNC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004624026	1	26	-1.0	-52.19	234.36	1.49	-50.70
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624027	0	39	-1.0	-51.60	319.63	7.57	-44.03
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624027	1	39	-1.0	-51.66	319.49	7.61	-44.05
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL250004624028	0	32	-1.0	-49.14	285.58	3.28	-45.86
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL250004624028	1	32	-1.0	-49.07	285.72	3.26	-45.81
CC(C)C1=NN=C(CCC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624029	0	33	-1.0	-47.61	285.67	1.06	-46.55
CC(C)C1=NN=C(CCC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624029	1	33	-1.0	-47.70	285.54	1.09	-46.61
COCCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624030	0	37	-1.0	-49.06	308.21	5.01	-44.05
COCCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624030	1	37	-1.0	-49.07	308.07	5.02	-44.05
CN(C(=O)C1(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004624031	0	33	-1.0	-52.11	277.82	7.72	-44.39
CN(C(=O)C1(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004624031	1	33	-1.0	-52.17	277.68	7.72	-44.45
CC(=O)N1CCC(C)(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004624032	0	33	-1.0	-43.39	258.01	3.38	-40.01
CC(=O)N1CCC(C)(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624032	1	33	-1.0	-43.40	257.87	3.41	-39.99
CSCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004624033	0	30	-1.0	-46.29	274.40	6.83	-39.46
CSCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004624033	1	30	-1.0	-46.20	274.54	6.83	-39.37
CN(C(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624034	0	25	-1.0	-58.87	248.93	6.46	-52.41
CN(C(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624034	1	25	-1.0	-58.78	249.07	6.46	-52.32
COC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624035	0	36	-1.0	-46.99	294.18	6.50	-40.49
COC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624035	1	36	-1.0	-47.09	294.05	6.51	-40.58
CCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624036	0	30	-1.0	-49.23	280.62	7.28	-41.95
CCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624036	1	30	-1.0	-49.17	280.76	7.28	-41.89
CN(C(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL250004624037	0	28	-1.0	-56.31	262.23	6.49	-49.82
CN(C(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL250004624037	1	28	-1.0	-56.24	262.37	6.49	-49.75
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004624038	0	31	-1.0	-51.17	265.00	6.74	-44.43
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004624038	1	31	-1.0	-51.05	265.14	6.74	-44.31
CN(C(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL250004624039	0	28	-1.0	-47.86	262.24	6.85	-41.01
CN(C(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL250004624039	1	28	-1.0	-47.83	262.37	6.84	-40.99
CN(C(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004624040	0	36	-1.0	-47.55	282.31	6.06	-41.49
CN(C(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004624040	1	36	-1.0	-47.44	282.46	6.06	-41.38
CC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624041	0	32	-1.0	-49.46	284.87	7.45	-42.01
CC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624041	1	32	-1.0	-49.52	284.73	7.48	-42.04
CC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624042	0	32	-1.0	-53.98	277.82	6.77	-47.21
CC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624042	1	32	-1.0	-54.07	277.68	6.80	-47.27
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004624043	0	30	-1.0	-45.33	275.49	7.78	-37.55
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004624043	1	30	-1.0	-45.44	275.34	7.78	-37.66
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL250004624044	0	33	-1.0	-49.69	288.01	7.05	-42.64
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL250004624044	1	33	-1.0	-49.66	288.14	7.03	-42.63
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL250004624045	0	26	-1.0	-47.84	250.10	6.02	-41.82
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL250004624045	1	26	-1.0	-47.92	249.98	6.03	-41.89
CC(SC1=CC=CC=N1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624046	0	29	-1.0	-47.82	260.26	5.71	-42.11
CC(SC1=CC=CC=N1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624046	1	29	-1.0	-47.74	260.40	5.69	-42.05
CN(C(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL250004624047	0	28	-1.0	-47.84	266.71	5.92	-41.92
CN(C(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL250004624047	1	28	-1.0	-47.87	266.57	5.95	-41.92
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004624048	0	30	-1.0	-48.26	273.59	5.69	-42.57
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004624048	1	30	-1.0	-48.36	273.46	5.72	-42.64
CCC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624049	0	31	-1.0	-50.96	265.19	6.18	-44.78
CCC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624049	1	31	-1.0	-50.89	265.32	6.19	-44.70
CN(C(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624050	0	34	-1.0	-52.68	295.48	7.61	-45.07
CN(C(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624050	1	34	-1.0	-52.75	295.34	7.64	-45.11
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=NC=C2)=NO1	REAL250004624051	0	31	-1.0	-44.53	278.57	5.38	-39.15
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=NC=C2)=NO1	REAL250004624051	1	31	-1.0	-44.47	278.72	5.36	-39.11
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004624052	0	27	-1.0	-45.56	238.70	4.28	-41.28
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004624052	1	27	-1.0	-45.52	238.84	4.29	-41.23
CC1=NN(CC(F)(F)F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624053	0	29	-1.0	-52.13	262.58	4.63	-47.50
CC1=NN(CC(F)(F)F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624053	1	29	-1.0	-52.23	262.44	4.64	-47.59
CC1=C(S(N)(=O)=O)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624054	0	28	-1.0	-52.59	261.54	-0.85	-53.44
CC1=C(S(N)(=O)=O)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624054	1	28	-1.0	-52.66	261.39	-0.82	-53.48
CCC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624055	0	35	-1.0	-47.43	280.69	7.47	-39.96
CCC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624055	1	35	-1.0	-47.39	280.83	7.48	-39.91
CN(C(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624056	0	31	-1.0	-50.18	279.49	7.45	-42.73
CN(C(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624056	1	31	-1.0	-50.23	279.35	7.48	-42.75
CN(C(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004624057	0	23	-1.0	-52.67	222.24	5.46	-47.21
CN(C(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004624057	1	23	-1.0	-52.60	222.39	5.46	-47.14
CN(C(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004624058	0	32	-1.0	-46.02	272.54	6.45	-39.57
CN(C(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004624058	1	32	-1.0	-45.91	272.69	6.43	-39.48
CN(C(=O)C1=C(F)C=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004624059	0	24	-1.0	-48.39	242.54	5.60	-42.79
CN(C(=O)C1=C(F)C=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004624059	1	24	-1.0	-48.47	242.40	5.60	-42.87
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624060	0	34	-1.0	-43.43	291.34	6.81	-36.62
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624060	1	34	-1.0	-43.37	291.48	6.81	-36.56
CC1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624061	0	26	-1.0	-48.68	245.42	6.20	-42.48
CC1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624061	1	26	-1.0	-48.71	245.28	6.20	-42.51
CN(C(=O)C1=CNN=C1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004624062	0	30	-1.0	-50.49	267.67	5.17	-45.32
CN(C(=O)C1=CNN=C1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004624062	1	30	-1.0	-50.40	267.79	5.15	-45.25
CN(C(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004624063	0	26	-1.0	-48.38	241.73	6.08	-42.30
CN(C(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004624063	1	26	-1.0	-48.46	241.60	6.10	-42.36
CN(C(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004624064	0	26	-1.0	-48.66	242.58	6.09	-42.57
CN(C(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004624064	1	26	-1.0	-48.75	242.44	6.12	-42.63
CN(C(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004624065	0	26	-1.0	-49.31	240.49	6.02	-43.29
CN(C(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004624065	1	26	-1.0	-49.37	240.35	6.05	-43.32
CN(C(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004624066	0	26	-1.0	-42.77	248.25	5.99	-36.78
CN(C(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004624066	1	26	-1.0	-42.80	248.11	5.98	-36.82
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=N2)=NO1	REAL250004624067	0	31	-1.0	-51.29	282.91	5.37	-45.92
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=N2)=NO1	REAL250004624067	1	31	-1.0	-51.29	283.04	5.34	-45.95
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004624068	0	39	-1.0	-51.01	322.71	7.79	-43.22
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004624068	1	39	-1.0	-51.17	322.58	7.82	-43.35
CN(C(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624069	0	33	-1.0	-47.78	276.78	8.19	-39.59
CN(C(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624069	1	33	-1.0	-47.87	276.64	8.20	-39.67
CN(C(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004624070	0	26	-1.0	-52.01	241.59	6.07	-45.94
CN(C(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004624070	1	26	-1.0	-52.06	241.45	6.10	-45.96
CC(C)CC(C)OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624071	0	38	-1.0	-44.80	305.13	5.92	-38.88
CC(C)CC(C)OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624071	1	38	-1.0	-44.84	304.99	5.95	-38.89
CCN(CC)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004624072	0	35	-1.0	-45.82	289.01	5.18	-40.64
CCN(CC)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004624072	1	35	-1.0	-45.84	288.88	5.21	-40.63
CN(C(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004624073	0	27	-1.0	-46.78	248.22	4.71	-42.07
CN(C(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004624073	1	27	-1.0	-46.85	248.08	4.71	-42.14
CC1=CC(Cl)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624074	0	26	-1.0	-44.81	241.13	6.09	-38.72
CC1=CC(Cl)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624074	1	26	-1.0	-44.80	241.27	6.11	-38.69
CN(C(=O)CCSC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004624075	0	29	-1.0	-51.02	268.00	5.68	-45.34
CN(C(=O)CCSC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004624075	1	29	-1.0	-50.95	268.14	5.65	-45.30
CN(C(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL250004624076	0	22	-1.0	-45.46	218.32	3.78	-41.68
CN(C(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL250004624076	1	22	-1.0	-45.41	218.46	3.76	-41.65
CSC1=NC(=O)NC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624077	0	29	-1.0	-46.26	268.78	1.64	-44.62
CSC1=NC(=O)NC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624077	1	29	-1.0	-46.20	268.94	1.61	-44.59
CN(C)CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004624078	0	31	-1.0	-47.33	265.65	3.27	-44.06
CN(C)CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004624078	1	31	-1.0	-47.46	265.51	3.27	-44.19
COC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004624079	0	33	-1.0	-46.94	285.18	4.93	-42.01
COC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004624079	1	33	-1.0	-46.87	285.34	4.91	-41.96
CN(C(=O)C1=NNC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL250004624080	0	30	-1.0	-51.34	271.38	5.61	-45.73
CN(C(=O)C1=NNC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL250004624080	1	30	-1.0	-51.26	271.53	5.61	-45.65
CN(C(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=N[N-]N=N1	REAL250004624081	0	37	-1.0	-29.16	260.51	6.59	-22.57
CN(C(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=NN=N[N-]1	REAL250004624081	1	37	-1.0	-29.16	260.39	6.63	-22.53
CC1=CC=CC(C)=C1NC(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624082	0	33	-1.0	-40.90	276.70	5.21	-35.69
CC1=CC=CC(C)=C1NC(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624082	1	33	-1.0	-40.85	276.83	5.21	-35.64
CN(C(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004624083	0	33	-1.0	-49.07	270.59	6.05	-43.02
CN(C(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004624083	1	33	-1.0	-49.02	270.73	6.03	-42.99
CC1=NC(CC(C)C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624084	0	34	-1.0	-45.67	287.21	5.50	-40.17
CC1=NC(CC(C)C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624084	1	34	-1.0	-45.73	287.06	5.52	-40.21
CC(C)CC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004624085	0	38	-1.0	-49.49	274.15	6.73	-42.76
CC(C)CC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004624085	1	38	-1.0	-49.53	274.02	6.75	-42.78
CC(C)CC(C(=O)N(C)C1=N[N-]N=N1)N1CCCCC1=O	REAL250004624086	0	42	-1.0	-39.84	307.18	8.17	-31.67
CC(C)CC(C(=O)N(C)C1=NN=N[N-]1)N1CCCCC1=O	REAL250004624086	1	42	-1.0	-39.90	307.04	8.18	-31.72
CC(CSC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624087	0	33	-1.0	-45.38	288.97	7.59	-37.79
CC(CSC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624087	1	33	-1.0	-45.45	288.83	7.62	-37.83
CCC1=NOC(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624088	0	34	-1.0	-49.70	289.49	6.26	-43.44
CCC1=NOC(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624088	1	34	-1.0	-49.74	289.36	6.29	-43.45
CN(C(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004624089	0	34	-1.0	-30.80	273.91	6.13	-24.67
CN(C(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004624089	1	34	-1.0	-30.88	273.78	6.15	-24.73
CC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004624090	0	28	-1.0	-50.41	255.33	4.34	-46.07
CC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004624090	1	28	-1.0	-50.48	255.20	4.37	-46.11
CN(C(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004624091	0	36	-1.0	-49.55	305.62	8.56	-40.99
CN(C(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004624091	1	36	-1.0	-49.59	305.49	8.59	-41.00
CN(C(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL250004624092	0	34	-1.0	-47.63	287.15	6.63	-41.00
CN(C(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL250004624092	1	34	-1.0	-47.69	287.02	6.65	-41.04
CCCCCC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004624093	0	40	-1.0	-47.65	300.88	7.50	-40.15
CCCCCC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004624093	1	40	-1.0	-47.69	300.75	7.51	-40.18
COC1=C(F)C=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624094	0	27	-1.0	-50.15	254.98	4.69	-45.46
COC1=C(F)C=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624094	1	27	-1.0	-50.11	255.12	4.67	-45.44
CC(O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004624095	0	29	-1.0	-58.75	257.26	0.08	-58.67
CC(O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004624095	1	29	-1.0	-58.82	257.12	0.11	-58.71
CN(C(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL250004624096	0	33	-1.0	-45.22	265.50	5.67	-39.55
CN(C(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL250004624096	1	33	-1.0	-45.15	265.64	5.64	-39.51
COC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624097	0	36	-1.0	-49.74	282.26	6.15	-43.59
COC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624097	1	36	-1.0	-49.83	282.12	6.17	-43.66
CCOCCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004624098	0	39	-1.0	-49.78	295.83	5.51	-44.27
CCOCCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004624098	1	39	-1.0	-49.87	295.70	5.52	-44.35
CN(C(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL250004624099	0	29	-1.0	-50.24	262.16	3.67	-46.57
CN(C(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL250004624099	1	29	-1.0	-50.15	262.31	3.66	-46.49
CN(C(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004624100	0	35	-1.0	-32.29	284.40	7.20	-25.09
CN(C(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004624100	1	35	-1.0	-32.34	284.27	7.22	-25.12
CCC1=NC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=NN1	REAL250004624101	0	35	-1.0	-50.55	300.63	6.27	-44.28
CCC1=NC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=NN1	REAL250004624101	1	35	-1.0	-50.44	300.77	6.27	-44.17
COC(=O)C1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1	REAL250004624102	0	33	-1.0	-49.36	290.05	4.69	-44.67
COC(=O)C1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1	REAL250004624102	1	33	-1.0	-49.31	290.19	4.68	-44.63
CN(C(=O)C#CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004624103	0	28	-1.0	-47.35	263.92	5.33	-42.02
CN(C(=O)C#CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004624103	1	28	-1.0	-46.29	263.78	5.35	-40.94
CN(C(=O)C=CC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL250004624104	0	31	-1.0	-50.66	271.59	3.80	-46.86
CN(C(=O)C=CC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL250004624104	1	31	-1.0	-50.56	271.73	3.78	-46.78
CC(C)NC(=O)N1CCC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004624105	0	38	-1.0	-64.12	302.33	5.01	-59.11
CC(C)NC(=O)N1CCC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004624105	1	38	-1.0	-64.23	302.20	5.04	-59.19
CC1=C(C(=O)N(C)C2=N[N-]N=N2)S(=O)(=O)CCO1	REAL250004624106	0	28	-1.0	-63.54	253.07	0.34	-63.20
CC1=C(C(=O)N(C)C2=NN=N[N-]2)S(=O)(=O)CCO1	REAL250004624106	1	28	-1.0	-63.68	252.92	0.34	-63.34
CC1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL250004624107	0	35	-1.0	-46.02	293.55	7.26	-38.76
CC1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL250004624107	1	35	-1.0	-45.94	293.69	7.24	-38.70
CN(C(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004624108	0	32	-1.0	-46.06	272.15	6.58	-39.48
CN(C(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004624108	1	32	-1.0	-45.96	272.28	6.57	-39.39
CN(C(=O)C1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624109	0	25	-1.0	-54.30	237.98	6.56	-47.74
CN(C(=O)C1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624109	1	25	-1.0	-54.17	238.11	6.56	-47.61
COC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004624110	0	27	-1.0	-54.67	250.90	4.53	-50.14
COC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004624110	1	27	-1.0	-54.62	251.02	4.51	-50.11
CCC(CC)N1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624111	0	35	-1.0	-45.28	280.25	5.83	-39.45
CCC(CC)N1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624111	1	35	-1.0	-45.14	280.39	5.81	-39.33
CN(C(=O)C1(CC2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL250004624112	0	36	-1.0	-51.28	281.69	7.74	-43.54
CN(C(=O)C1(CC2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL250004624112	1	36	-1.0	-51.37	281.56	7.78	-43.59
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624113	0	26	-1.0	-42.29	243.56	4.23	-38.06
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624113	1	26	-1.0	-42.37	243.42	4.25	-38.12
CC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004624114	0	26	-1.0	-47.95	232.73	5.67	-42.28
CC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004624114	1	26	-1.0	-47.87	232.87	5.67	-42.20
CCOCCC1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004624115	0	36	-1.0	-48.95	282.88	5.02	-43.93
CCOCCC1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004624115	1	36	-1.0	-48.98	282.74	5.03	-43.95
CCCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624116	0	36	-1.0	-49.81	302.72	6.99	-42.82
CCCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624116	1	36	-1.0	-49.88	302.59	7.03	-42.85
COCCCS(=O)(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004624117	0	34	-1.0	-56.54	302.99	-0.81	-57.35
COCCCS(=O)(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004624117	1	34	-1.0	-56.61	302.85	-0.78	-57.39
CCC(CC)N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624118	0	35	-1.0	-49.97	286.24	6.30	-43.67
CCC(CC)N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624118	1	35	-1.0	-49.89	286.39	6.29	-43.60
CN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004624119	0	36	-1.0	-47.32	292.74	0.87	-46.45
CN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004624119	1	36	-1.0	-47.43	292.60	0.87	-46.56
CN(C(=O)C(F)(F)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004624120	0	25	-1.0	-48.10	230.54	4.84	-43.26
CN(C(=O)C(F)(F)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004624120	1	25	-1.0	-48.04	230.67	4.81	-43.23
CC1=CC=CC(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004624121	0	35	-1.0	-45.85	293.55	7.25	-38.60
CC1=CC=CC(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004624121	1	35	-1.0	-45.76	293.69	7.23	-38.53
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004624122	0	29	-1.0	-45.38	261.57	5.60	-39.78
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004624122	1	29	-1.0	-45.45	261.44	5.59	-39.86
CN(C(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NN=N[N-]1	REAL250004624123	0	34	-1.0	-48.02	286.25	4.45	-43.57
CN(C(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=N[N-]N=N1	REAL250004624123	1	34	-1.0	-47.97	286.40	4.45	-43.52
CC(C)OC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004624124	0	32	-1.0	-44.27	272.02	3.51	-40.76
CC(C)OC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004624124	1	32	-1.0	-44.21	272.16	3.50	-40.71
CN(C(=O)CSC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004624125	0	30	-1.0	-47.16	277.70	5.44	-41.72
CN(C(=O)CSC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004624125	1	30	-1.0	-47.06	277.83	5.42	-41.64
CN(C(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624126	1	26	-1.0	-47.92	242.21	2.73	-45.19
CN(C(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624126	1	26	-1.0	-47.78	242.35	2.75	-45.03
CN(C(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004624127	0	23	-1.0	-45.77	232.60	5.12	-40.65
CN(C(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004624127	1	23	-1.0	-45.72	232.73	5.11	-40.61
CNC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624128	0	29	-1.0	-46.15	255.66	2.52	-43.63
CNC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624128	1	29	-1.0	-46.11	255.79	2.51	-43.60
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004624129	0	29	-1.0	-47.91	265.51	7.05	-40.86
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004624129	1	29	-1.0	-47.99	265.38	7.09	-40.90
CCCN1N=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004624130	0	35	-1.0	-47.08	296.22	5.62	-41.46
CCCN1N=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004624130	1	35	-1.0	-46.96	296.36	5.61	-41.35
CN(C(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL250004624131	0	22	-1.0	-42.64	219.27	3.68	-38.96
CN(C(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL250004624131	1	22	-1.0	-42.60	219.41	3.67	-38.93
CN(C(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004624132	0	23	-1.0	-42.52	224.67	5.46	-37.06
CN(C(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004624132	1	23	-1.0	-42.42	224.81	5.47	-36.95
CN(C(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624133	0	26	-1.0	-48.45	238.31	5.96	-42.49
CN(C(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624133	1	26	-1.0	-48.52	238.17	5.96	-42.56
CC(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624134	0	30	-1.0	-50.71	270.72	4.28	-46.43
CC(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624134	1	30	-1.0	-51.25	270.65	4.31	-46.94
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004624135	0	30	-1.0	-51.23	275.84	4.36	-46.87
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004624135	1	30	-1.0	-51.27	275.70	4.37	-46.90
CN(C(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL250004624136	0	31	-1.0	-52.77	270.19	4.20	-48.57
CN(C(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL250004624136	1	31	-1.0	-52.64	270.33	4.18	-48.46
CN(C(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL250004624137	0	37	-1.0	-45.81	308.18	4.65	-41.16
CN(C(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL250004624137	1	37	-1.0	-45.89	308.04	4.68	-41.21
CCCC(O)(CCC)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624138	0	38	-1.0	-50.72	290.90	4.90	-45.82
CCCC(O)(CCC)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624138	1	38	-1.0	-50.78	290.77	4.90	-45.88
CN(C(=O)CSC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004624139	0	28	-1.0	-48.85	259.39	3.61	-45.24
CN(C(=O)CSC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004624139	1	28	-1.0	-48.95	259.26	3.64	-45.31
CN(C(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004624140	0	26	-1.0	-46.82	250.51	6.47	-40.35
CN(C(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004624140	1	26	-1.0	-46.91	250.37	6.49	-40.42
CCOCCS(=O)(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004624141	0	34	-1.0	-53.62	303.35	-0.64	-54.26
CCOCCS(=O)(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004624141	1	34	-1.0	-53.71	303.21	-0.61	-54.32
CCC1=NNC(=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1CC	REAL250004624142	0	34	-1.0	-55.73	283.71	3.47	-52.26
CCC1=NNC(=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1CC	REAL250004624142	1	34	-1.0	-55.66	283.83	3.44	-52.22
CN(C(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004624143	0	26	-1.0	-47.40	248.02	6.11	-41.29
CN(C(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004624143	1	26	-1.0	-47.46	247.88	6.14	-41.32
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004624144	0	26	-1.0	-45.23	237.53	6.00	-39.23
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004624144	1	26	-1.0	-45.11	237.66	6.01	-39.10
COC1=CC=CC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624145	0	31	-1.0	-57.40	267.44	3.82	-53.58
COC1=CC=CC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624145	1	31	-1.0	-57.34	267.58	3.80	-53.54
CN(C(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL250004624146	0	29	-1.0	-43.54	267.31	6.70	-36.84
CN(C(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL250004624146	1	29	-1.0	-43.46	267.45	6.67	-36.79
COC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624147	0	34	-1.0	-51.49	288.34	5.89	-45.60
COC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624147	1	34	-1.0	-51.54	288.20	5.91	-45.63
CCC(OC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624148	0	39	-1.0	-48.74	301.14	7.20	-41.54
CCC(OC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624148	1	39	-1.0	-48.83	301.00	7.22	-41.61
COCCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004624149	0	36	-1.0	-49.58	273.98	4.54	-45.04
COCCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004624149	1	36	-1.0	-49.67	273.84	4.56	-45.11
CC(C)C1=NN=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624150	0	31	-1.0	-45.64	276.36	0.93	-44.71
CC(C)C1=NN=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624150	1	31	-1.0	-45.74	276.22	0.95	-44.79
CN(C(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL250004624151	0	26	-1.0	-47.15	239.03	6.26	-40.89
CN(C(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL250004624151	1	26	-1.0	-47.08	239.17	6.27	-40.81
CC(OC1CCCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624152	0	39	-1.0	-49.12	289.98	6.78	-42.34
CC(OC1CCCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624152	1	39	-1.0	-49.16	289.84	6.80	-42.36
CN(C(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL250004624153	0	37	-1.0	-47.53	308.74	2.34	-45.19
CN(C(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL250004624153	1	37	-1.0	-47.64	308.60	2.37	-45.27
CC(CNC(=O)OC(C)(C)C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624154	0	42	-1.0	-48.75	332.64	4.27	-44.48
CC(CNC(=O)OC(C)(C)C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624154	1	42	-1.0	-48.88	332.50	4.28	-44.60
CN(C(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004624155	0	23	-1.0	-42.61	226.15	5.49	-37.12
CN(C(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004624155	1	23	-1.0	-42.57	226.28	5.51	-37.06
CN(C(=O)CC1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL250004624156	0	29	-1.0	-61.54	256.05	5.30	-56.24
CN(C(=O)CC1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL250004624156	1	29	-1.0	-61.44	256.18	5.27	-56.17
COC1=CC=CC(OC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624157	0	34	-1.0	-51.72	286.18	4.70	-47.02
COC1=CC=CC(OC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624157	1	34	-1.0	-51.78	286.04	4.73	-47.05
CN(C(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004624158	0	33	-1.0	-59.00	287.90	7.14	-51.86
CN(C(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004624158	1	33	-1.0	-59.10	287.77	7.17	-51.93
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004624159	0	37	-1.0	-57.15	304.07	3.90	-53.25
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004624159	1	37	-1.0	-57.23	303.92	3.92	-53.31
CN(C(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004624160	0	38	-1.0	-47.88	306.06	8.30	-39.58
CN(C(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004624160	1	38	-1.0	-47.96	305.92	8.32	-39.64
CC(C)OC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624161	0	32	-1.0	-43.90	267.96	4.04	-39.86
CC(C)OC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624161	1	32	-1.0	-43.85	268.09	4.03	-39.82
CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004624162	0	42	-1.0	-32.92	318.63	3.25	-29.67
CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004624162	1	42	-1.0	-32.88	318.49	3.26	-29.62
CC1=NN(C)C(C)=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004624163	0	33	-1.0	-51.74	287.61	4.82	-46.92
CC1=NN(C)C(C)=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004624163	1	33	-1.0	-51.83	287.48	4.84	-46.99
CN(C(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL250004624164	0	28	-1.0	-44.52	265.90	6.41	-38.11
CN(C(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL250004624164	1	28	-1.0	-44.48	266.05	6.40	-38.08
CN(C(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL250004624165	0	29	-1.0	-48.64	255.86	4.33	-44.31
CN(C(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL250004624165	1	29	-1.0	-48.53	256.01	4.30	-44.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCOCC1	REAL250004624166	0	37	-1.0	-47.76	298.14	4.19	-43.57
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCOCC1	REAL250004624166	1	37	-1.0	-47.82	297.99	4.20	-43.62
CCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004624167	0	36	-1.0	-46.64	294.86	6.21	-40.43
CCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004624167	1	36	-1.0	-46.69	294.72	6.22	-40.47
CN(C(=O)C(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624168	0	33	-1.0	-46.66	279.29	5.27	-41.39
CN(C(=O)C(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624168	1	33	-1.0	-46.73	279.16	5.29	-41.44
CN(C(=O)[C@H](O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004624169	0	27	-1.0	-44.99	244.74	3.49	-41.50
CN(C(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004624169	1	27	-1.0	-45.06	244.60	3.51	-41.55
COC1=CC=CC(C(O)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624170	0	31	-1.0	-46.50	257.73	2.84	-43.66
COC1=CC=CC(C(O)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624170	1	31	-1.0	-46.60	257.60	2.86	-43.74
CN(C(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004624171	0	25	-1.0	-43.66	243.72	5.97	-37.69
CN(C(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004624171	1	25	-1.0	-43.73	243.58	5.95	-37.78
COC(=O)CC(C)(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624172	0	34	-1.0	-52.94	269.22	5.39	-47.55
COC(=O)CC(C)(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624172	1	34	-1.0	-53.02	269.09	5.42	-47.60
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004624173	0	29	-1.0	-52.04	251.39	6.24	-45.80
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004624173	1	29	-1.0	-51.98	251.54	6.24	-45.74
CN(C(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL250004624174	0	22	-1.0	-49.47	220.64	4.70	-44.77
CN(C(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL250004624174	1	22	-1.0	-49.41	220.78	4.70	-44.71
COC(=O)C1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624175	0	32	-1.0	-52.46	284.68	6.62	-45.84
COC(=O)C1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624175	1	32	-1.0	-52.50	284.55	6.65	-45.85
CN(C(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624176	0	25	-1.0	-61.36	249.65	6.46	-54.90
CN(C(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624176	1	25	-1.0	-61.28	249.78	6.43	-54.85
CN(C(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL250004624177	0	33	-1.0	-47.49	278.11	4.17	-43.32
CN(C(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL250004624177	1	33	-1.0	-47.38	278.25	4.15	-43.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC(C)C	REAL250004624178	0	35	-1.0	-47.08	285.46	5.57	-41.51
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC(C)C	REAL250004624178	1	35	-1.0	-47.19	285.28	5.58	-41.61
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624179	0	34	-1.0	-46.86	296.57	7.74	-39.12
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624179	1	34	-1.0	-46.82	296.71	7.73	-39.09
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004624180	0	27	-1.0	-44.84	248.94	5.97	-38.87
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004624180	1	27	-1.0	-44.76	249.08	5.97	-38.79
CN(C(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL250004624182	0	24	-1.0	-47.47	227.34	3.25	-44.22
CN(C(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL250004624182	1	24	-1.0	-47.36	227.48	3.26	-44.10
CN(C)CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004624183	0	30	-1.0	-44.65	259.28	2.55	-42.10
CN(C)CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004624183	1	30	-1.0	-44.77	259.14	2.57	-42.20
CN(C(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL250004624184	0	23	-1.0	-50.30	233.30	4.77	-45.53
CN(C(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL250004624184	1	23	-1.0	-50.40	233.16	4.80	-45.60
CN(C(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL250004624185	0	28	-1.0	-46.17	261.80	3.98	-42.19
CN(C(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL250004624185	1	28	-1.0	-46.02	261.95	3.95	-42.07
CC1=CC=C(C(C)C(O)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624186	0	36	-1.0	-44.70	289.33	5.92	-38.78
CC1=CC=C(C(C)C(O)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624186	1	36	-1.0	-44.80	289.19	5.94	-38.86
CN(C(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL250004624187	0	22	-1.0	-46.49	221.03	4.66	-41.83
CN(C(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL250004624187	1	22	-1.0	-46.43	221.16	4.66	-41.77
CN(C(=O)C1=CC=CN=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624188	0	25	-1.0	-52.36	232.77	4.21	-48.15
CN(C(=O)C1=CC=CN=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624188	1	25	-1.0	-52.32	232.90	4.22	-48.10
CCOC1=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=CC=C1O	REAL250004624190	0	35	-1.0	-49.93	300.97	4.55	-45.38
CCOC1=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=CC=C1O	REAL250004624190	1	35	-1.0	-50.03	300.82	4.56	-45.47
CC(C)CN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004624191	0	39	-1.0	-46.59	310.75	6.94	-39.65
CC(C)CN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004624191	1	39	-1.0	-46.67	310.61	6.95	-39.72
COC1=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004624192	0	31	-1.0	-48.94	274.61	5.85	-43.09
COC1=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004624192	1	31	-1.0	-49.04	274.47	5.87	-43.17
CN(C(=O)CC(O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004624193	0	30	-1.0	-50.97	264.38	4.54	-46.43
CN(C(=O)CC(O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004624193	1	30	-1.0	-51.04	264.25	4.57	-46.47
COC(=O)C1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624194	0	27	-1.0	-42.58	249.88	2.97	-39.61
COC(=O)C1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624194	1	27	-1.0	-42.52	250.02	2.95	-39.57
CN(C(=O)CCC1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL250004624195	0	33	-1.0	-51.63	270.11	3.00	-48.63
CN(C(=O)CCC1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL250004624195	1	33	-1.0	-51.74	269.98	3.03	-48.71
CN(C(=O)C1=CC=CN2C(=O)NN=C12)C1=NN=N[N-]1	REAL250004624196	0	26	-1.0	-54.26	241.91	3.51	-50.75
CN(C(=O)C1=CC=CN2C(=O)NN=C12)C1=N[N-]N=N1	REAL250004624196	1	26	-1.0	-54.26	242.05	3.52	-50.74
CC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624197	0	26	-1.0	-45.00	238.61	6.12	-38.88
CC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624197	1	26	-1.0	-44.95	238.75	6.11	-38.84
CN(C(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004624198	0	28	-1.0	-45.30	257.18	1.90	-43.40
CN(C(=O)C1=CN=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004624198	1	28	-1.0	-45.23	257.32	1.89	-43.34
CN(C(=O)C1=CN(C)N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL250004624199	0	30	-1.0	-52.95	275.71	5.43	-47.52
CN(C(=O)C1=CN(C)N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL250004624199	1	30	-1.0	-52.88	275.85	5.41	-47.47
CC(C)[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624200	0	38	-1.0	-31.99	281.23	7.20	-24.79
CC(C)[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624200	1	38	-1.0	-32.04	281.07	7.23	-24.81
CN(C(=O)C1=CC=CC=C1CCC(F)(F)F)C1=N[N-]N=N1	REAL250004624201	0	32	-1.0	-49.64	281.58	7.40	-42.24
CN(C(=O)C1=CC=CC=C1CCC(F)(F)F)C1=NN=N[N-]1	REAL250004624201	1	32	-1.0	-49.72	281.44	7.40	-42.32
CC(=CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624202	0	30	-1.0	-45.60	273.92	7.41	-38.19
CC(=CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624202	1	30	-1.0	-45.71	273.78	7.41	-38.30
CN(C(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL250004624203	0	29	-1.0	-45.25	262.15	5.70	-39.55
CN(C(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL250004624203	1	29	-1.0	-45.22	262.30	5.70	-39.52
CN(C(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL250004624204	0	31	-1.0	-31.88	261.53	5.91	-25.97
CN(C(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL250004624204	1	31	-1.0	-31.98	261.67	5.95	-26.03
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004624205	0	26	-1.0	-50.00	237.43	6.03	-43.97
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004624205	1	26	-1.0	-49.95	237.58	6.01	-43.94
CCC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004624206	0	31	-1.0	-45.70	270.62	6.28	-39.42
CCC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004624206	1	31	-1.0	-45.62	270.75	6.29	-39.33
CN(C(=O)C1(C)COC(C)(C)OC1)C1=N[N-]N=N1	REAL250004624207	0	34	-1.0	-34.09	252.74	3.61	-30.48
CN(C(=O)C1(C)COC(C)(C)OC1)C1=NN=N[N-]1	REAL250004624207	1	34	-1.0	-34.15	252.58	3.62	-30.53
CCC(C)(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624208	0	38	-1.0	-47.27	292.43	7.69	-39.58
CCC(C)(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624208	1	38	-1.0	-47.21	292.57	7.70	-39.51
CN(C(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL250004624209	0	30	-1.0	-47.42	268.22	3.91	-43.51
CN(C(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL250004624209	1	30	-1.0	-47.54	268.07	3.93	-43.61
CN(C(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004624210	0	26	-1.0	-53.63	255.78	1.44	-52.19
CN(C(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004624210	1	26	-1.0	-53.74	255.63	1.49	-52.25
CN(C(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004624211	0	25	-1.0	-47.02	237.67	5.42	-41.60
CN(C(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004624211	1	25	-1.0	-46.97	237.81	5.40	-41.57
CCOC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004624212	0	33	-1.0	-46.03	285.86	6.24	-39.79
CCOC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004624212	1	33	-1.0	-46.08	285.72	6.28	-39.80
CC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1C(C)C	REAL250004624213	0	38	-1.0	-49.35	308.59	5.67	-43.68
CC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1C(C)C	REAL250004624213	1	38	-1.0	-49.24	308.73	5.65	-43.59
CC1=CN(CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=NO2)N=C1	REAL250004624214	0	32	-1.0	-51.01	287.28	5.37	-45.64
CC1=CN(CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=NO2)N=C1	REAL250004624214	1	32	-1.0	-51.07	287.15	5.39	-45.68
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CO1	REAL250004624215	0	28	-1.0	-49.90	262.37	-0.81	-50.71
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CO1	REAL250004624215	1	28	-1.0	-49.97	262.23	-0.80	-50.77
CN(C(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=NN=N[N-]1	REAL250004624216	0	32	-1.0	-60.35	278.87	6.77	-53.58
CN(C(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=N[N-]N=N1	REAL250004624216	1	32	-1.0	-60.24	279.02	6.78	-53.46
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=NN2C=C1	REAL250004624217	0	29	-1.0	-54.03	248.84	5.33	-48.70
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=NN2C=C1	REAL250004624217	1	29	-1.0	-53.94	248.99	5.33	-48.61
CN(C(=O)C1=NN(CCO)C(=O)CC1)C1=N[N-]N=N1	REAL250004624218	0	31	-1.0	-44.08	267.04	0.36	-43.72
CN(C(=O)C1=NN(CCO)C(=O)CC1)C1=NN=N[N-]1	REAL250004624218	1	31	-1.0	-44.16	266.90	0.38	-43.78
COC(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624219	0	35	-1.0	-34.89	273.09	6.11	-28.78
COC(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624219	1	35	-1.0	-34.94	272.93	6.13	-28.81
CC(CN1CCOCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624220	0	35	-1.0	-31.88	270.82	2.53	-29.35
CC(CN1CCOCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624220	1	35	-1.0	-31.91	270.68	2.54	-29.37
COC(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624221	0	28	-1.0	-45.17	252.70	3.83	-41.34
COC(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624221	1	28	-1.0	-45.07	252.84	3.82	-41.25
CN(C)S(=O)(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004624222	0	30	-1.0	-49.51	267.79	1.07	-48.44
CN(C)S(=O)(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004624222	1	30	-1.0	-49.62	267.65	1.10	-48.52
CN(C(=O)CCC(=O)N1CCC(O)CC1)C1=N[N-]N=N1	REAL250004624223	0	37	-1.0	-47.72	299.71	1.96	-45.76
CN(C(=O)CCC(=O)N1CCC(O)CC1)C1=NN=N[N-]1	REAL250004624223	1	37	-1.0	-47.79	299.57	1.99	-45.80
CN(C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624224	0	25	-1.0	-59.14	231.68	4.97	-54.17
CN(C(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624224	1	25	-1.0	-59.08	231.82	4.95	-54.13
CN(C(=O)C1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL250004624226	1	24	-1.0	-45.73	236.23	3.32	-42.41
CN(C(=O)C1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL250004624226	1	24	-1.0	-45.76	236.09	3.33	-42.43
CN(C(=O)C1=CC2=C(C=C1O)OCO2)C1=NN=N[N-]1	REAL250004624227	0	27	-1.0	-47.52	240.83	1.39	-46.13
CN(C(=O)C1=CC2=C(C=C1O)OCO2)C1=N[N-]N=N1	REAL250004624227	1	27	-1.0	-47.47	240.97	1.37	-46.10
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(O)=C1	REAL250004624228	0	33	-1.0	-49.91	270.48	5.21	-44.70
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(O)=C1	REAL250004624228	1	33	-1.0	-49.83	270.63	5.21	-44.62
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Br)=N1	REAL250004624229	0	25	-1.0	-49.29	236.20	4.24	-45.05
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Br)=N1	REAL250004624229	1	25	-1.0	-49.38	236.06	4.24	-45.14
CCCCS(=O)(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004624230	0	33	-1.0	-54.60	290.81	0.90	-53.70
CCCCS(=O)(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004624230	1	33	-1.0	-54.65	290.68	0.93	-53.72
CN(C(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL250004624231	0	29	-1.0	-53.27	255.43	4.75	-48.52
CN(C(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL250004624231	1	29	-1.0	-53.23	255.57	4.75	-48.48
C=CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004624232	0	33	-1.0	-46.06	279.19	7.79	-38.27
C=CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004624232	1	33	-1.0	-46.18	279.06	7.81	-38.37
COC(=O)C1=CC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004624233	0	35	-1.0	-52.89	297.77	7.17	-45.72
COC(=O)C1=CC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004624233	1	35	-1.0	-52.95	297.64	7.21	-45.74
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Br)=C1	REAL250004624234	0	26	-1.0	-48.65	239.53	6.17	-42.48
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Br)=C1	REAL250004624234	1	26	-1.0	-48.70	239.39	6.17	-42.53
CC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004624235	0	26	-1.0	-53.47	241.90	5.86	-47.61
CC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004624235	1	26	-1.0	-53.40	242.04	5.84	-47.56
CN(C(=O)C1=C(O)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004624236	1	24	-1.0	-52.27	235.56	2.76	-49.51
CN(C(=O)C1=C(O)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004624236	1	24	-1.0	-52.22	235.70	2.74	-49.48
CC(C)C1=CC=C(O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624237	0	33	-1.0	-49.87	270.50	5.20	-44.67
CC(C)C1=CC=C(O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624237	1	33	-1.0	-49.79	270.64	5.20	-44.59
COC1=CC(C)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1O	REAL250004624238	0	31	-1.0	-52.51	260.95	3.73	-48.78
COC1=CC(C)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1O	REAL250004624238	1	31	-1.0	-52.44	261.10	3.73	-48.71
CN(C(=O)C1=CN(C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004624239	0	35	-1.0	-48.64	280.05	5.02	-43.62
CN(C(=O)C1=CN(C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004624239	1	35	-1.0	-48.57	280.20	5.01	-43.56
CN(C(=O)CNC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004624240	0	28	-1.0	-50.23	258.11	3.73	-46.50
CN(C(=O)CNC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004624240	1	28	-1.0	-50.10	258.25	3.71	-46.39
CN(C(=O)C1=CC=CC(C2OCCO2)=C1)C1=NN=N[N-]1	REAL250004624241	0	32	-1.0	-50.50	268.90	4.54	-45.96
CN(C(=O)C1=CC=CC(C2OCCO2)=C1)C1=N[N-]N=N1	REAL250004624241	1	32	-1.0	-50.43	269.04	4.54	-45.89
CN(CC(=O)N(C)C1=N[N-]N=N1)C1CCSC1	REAL250004624242	0	32	-1.0	-46.96	262.69	3.70	-43.26
CN(CC(=O)N(C)C1=NN=N[N-]1)C1CCSC1	REAL250004624242	1	32	-1.0	-46.99	262.55	3.73	-43.26
CN(C(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NN=N[N-]1	REAL250004624243	0	29	-1.0	-56.47	268.84	0.69	-55.78
CN(C(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=N[N-]N=N1	REAL250004624243	1	29	-1.0	-56.41	268.98	0.69	-55.72
CN(C(=O)C1=COC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004624244	0	25	-1.0	-50.92	240.00	-2.03	-52.95
CN(C(=O)C1=COC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004624244	1	25	-1.0	-50.96	239.86	-2.01	-52.97
CN(C(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004624245	0	29	-1.0	-54.34	258.56	7.57	-46.77
CN(C(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004624245	1	29	-1.0	-54.33	258.70	7.56	-46.77
CC(C)CN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)F	REAL250004624246	0	35	-1.0	-43.12	296.62	5.78	-37.34
CC(C)CN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)F	REAL250004624246	1	35	-1.0	-43.17	296.47	5.80	-37.37
CC1=CN2C(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004624247	0	29	-1.0	-51.22	246.62	5.87	-45.35
CC1=CN2C(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004624247	1	29	-1.0	-51.10	246.78	5.86	-45.24
COC(=O)C1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624248	0	32	-1.0	-53.15	277.31	6.33	-46.82
COC(=O)C1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624248	1	32	-1.0	-53.24	277.18	6.37	-46.87
CN(C(=O)C1=CN(C)N=C1C(F)F)C1=N[N-]N=N1	REAL250004624249	0	26	-1.0	-55.22	238.45	3.53	-51.69
CN(C(=O)C1=CN(C)N=C1C(F)F)C1=NN=N[N-]1	REAL250004624249	1	26	-1.0	-55.29	238.30	3.56	-51.73
CN(C(=O)C1=CC=NC(Cl)=C1F)C1=NN=N[N-]1	REAL250004624250	0	22	-1.0	-48.46	221.03	3.67	-44.79
CN(C(=O)C1=CC=NC(Cl)=C1F)C1=N[N-]N=N1	REAL250004624250	1	22	-1.0	-48.40	221.17	3.66	-44.74
CC(OC1=CC=CC(CO)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624251	0	34	-1.0	-36.58	283.33	3.84	-32.74
CC(OC1=CC=CC(CO)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624251	1	34	-1.0	-36.64	283.22	3.86	-32.78
CC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004624252	0	29	-1.0	-42.16	250.10	6.32	-35.84
CC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004624252	1	29	-1.0	-42.21	249.96	6.35	-35.86
CSCC1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624253	0	31	-1.0	-46.82	287.55	3.42	-43.40
CSCC1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624253	1	31	-1.0	-46.88	287.42	3.46	-43.42
CN(C(=O)C(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004624254	0	38	-1.0	-31.71	265.37	6.23	-25.48
CN(C(=O)C(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004624254	1	38	-1.0	-31.76	265.22	6.24	-25.52
CN(C(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004624255	0	31	-1.0	-50.32	253.18	6.27	-44.05
CN(C(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004624255	1	31	-1.0	-50.26	253.31	6.26	-44.00
CN(C(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL250004624256	0	29	-1.0	-58.07	266.87	2.49	-55.58
CN(C(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL250004624256	1	29	-1.0	-58.09	266.73	2.49	-55.60
CN(C(=O)CCCC1(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL250004624257	0	34	-1.0	-55.75	285.29	0.32	-55.43
CN(C(=O)CCCC1(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL250004624257	1	34	-1.0	-55.82	285.15	0.36	-55.46
CC(C)OC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624258	0	32	-1.0	-46.54	266.75	4.73	-41.81
CC(C)OC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624258	1	32	-1.0	-46.45	266.89	4.71	-41.74
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL250004624259	0	35	-1.0	-53.77	289.08	8.06	-45.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL250004624259	1	35	-1.0	-53.69	289.21	8.06	-45.63
COC1=CC=C2NC(C)=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624260	0	34	-1.0	-56.30	292.29	5.06	-51.24
COC1=CC=C2NC(C)=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624260	1	34	-1.0	-56.26	292.43	5.05	-51.21
CC1=NN(C)C(=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004624261	0	31	-1.0	-57.95	265.43	3.31	-54.64
CC1=NN(C)C(=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004624261	1	31	-1.0	-57.88	265.56	3.29	-54.59
CN(C(=O)C1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004624262	0	35	-1.0	-47.57	269.44	7.68	-39.89
CN(C(=O)C1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004624262	1	35	-1.0	-47.46	269.59	7.67	-39.79
CN(C(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=NN=N[N-]1	REAL250004624263	0	28	-1.0	-48.08	260.04	6.81	-41.27
CN(C(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=N[N-]N=N1	REAL250004624263	1	28	-1.0	-47.98	260.19	6.80	-41.18
CC(C)C1=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004624264	0	31	-1.0	-53.20	278.90	4.79	-48.41
CC(C)C1=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004624264	1	31	-1.0	-53.15	279.04	4.77	-48.38
CN(C(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL250004624265	0	30	-1.0	-48.74	258.17	6.52	-42.22
CN(C(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL250004624265	1	30	-1.0	-48.77	258.05	6.56	-42.21
CC(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624266	0	28	-1.0	-45.60	250.97	4.15	-41.45
CC(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624266	1	28	-1.0	-45.67	250.82	4.16	-41.51
COCCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624267	0	37	-1.0	-51.87	314.85	5.46	-46.41
COCCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624267	1	37	-1.0	-51.95	314.72	5.50	-46.45
CCCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004624268	0	35	-1.0	-46.80	287.97	5.57	-41.23
CCCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004624268	1	35	-1.0	-46.91	287.83	5.58	-41.33
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004624269	0	31	-1.0	-51.95	272.41	7.13	-44.82
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004624269	1	31	-1.0	-52.06	272.28	7.16	-44.90
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004624270	0	31	-1.0	-49.02	265.84	5.90	-43.12
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004624270	1	31	-1.0	-48.95	265.98	5.91	-43.04
CN(C(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004624271	0	35	-1.0	-51.82	302.69	3.49	-48.33
CN(C(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004624271	1	35	-1.0	-51.73	302.83	3.45	-48.28
CN(C(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004624272	0	23	-1.0	-44.40	218.89	5.07	-39.33
CN(C(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004624272	1	23	-1.0	-44.50	218.75	5.07	-39.43
CC1=C(CCCC(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004624273	0	32	-1.0	-49.09	281.56	7.21	-41.88
CC1=C(CCCC(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004624273	1	32	-1.0	-49.18	281.42	7.24	-41.94
C=CC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624275	0	34	-1.0	-52.42	272.51	4.55	-47.87
C=CC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624275	1	34	-1.0	-52.49	272.38	4.58	-47.91
CC1=C2NC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004624276	0	30	-1.0	-45.76	255.16	6.21	-39.55
CC1=C2NC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004624276	1	30	-1.0	-45.67	255.30	6.18	-39.49
CC(CSCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624277	0	36	-1.0	-45.34	308.44	8.42	-36.92
CC(CSCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624277	1	36	-1.0	-45.46	308.30	8.46	-37.00
CCC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004624278	0	33	-1.0	-56.72	271.55	4.27	-52.45
CCC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624278	1	33	-1.0	-56.76	271.46	4.30	-52.46
CN(C(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624279	0	28	-1.0	-65.89	262.03	6.45	-59.44
CN(C(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624279	1	28	-1.0	-65.96	261.90	6.47	-59.49
CN(C(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL250004624280	0	31	-1.0	-57.70	274.78	7.22	-50.48
CN(C(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL250004624280	1	31	-1.0	-57.78	274.65	7.24	-50.54
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=NC2=CC=CC=C21	REAL250004624281	0	32	-1.0	-33.20	268.66	6.99	-26.21
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=NC2=CC=CC=C21	REAL250004624281	1	32	-1.0	-33.26	268.51	7.02	-26.24
CC1=NC(Cl)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624282	0	28	-1.0	-49.52	258.56	5.05	-44.47
CC1=NC(Cl)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624282	1	28	-1.0	-49.61	258.42	5.09	-44.52
CC1=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)SC=C1	REAL250004624283	0	30	-1.0	-49.00	259.56	7.00	-42.00
CC1=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)SC=C1	REAL250004624283	1	30	-1.0	-49.10	259.43	7.01	-42.09
CN(C(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL250004624284	0	26	-1.0	-51.87	258.93	4.33	-47.54
CN(C(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL250004624284	1	26	-1.0	-51.91	258.79	4.36	-47.55
CC1=CC(C)=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624285	0	35	-1.0	-46.37	294.08	8.11	-38.26
CC1=CC(C)=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624285	1	35	-1.0	-46.43	293.94	8.13	-38.30
CN(C(=O)CC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004624286	0	29	-1.0	-49.71	262.04	6.84	-42.87
CN(C(=O)CC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004624286	1	29	-1.0	-49.78	261.91	6.87	-42.91
CN(C(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004624287	0	38	-1.0	-47.54	283.68	7.13	-40.41
CN(C(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004624287	1	38	-1.0	-47.58	283.54	7.14	-40.44
CN(C(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL250004624288	0	26	-1.0	-52.30	246.65	5.60	-46.70
CN(C(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL250004624288	1	26	-1.0	-52.21	246.79	5.57	-46.64
CN(C(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL250004624289	0	30	-1.0	-50.31	260.08	3.78	-46.53
CN(C(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL250004624289	1	30	-1.0	-50.24	260.22	3.78	-46.46
CC1=NN=C2CCC(C(=O)N(C)C3=N[N-]N=N3)CN12	REAL250004624290	0	32	-1.0	-34.08	259.63	5.73	-28.35
CC1=NN=C2CCC(C(=O)N(C)C3=NN=N[N-]3)CN12	REAL250004624290	1	32	-1.0	-34.16	259.39	5.82	-28.34
CC(C)CC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624291	0	39	-1.0	-47.79	320.04	9.15	-38.64
CC(C)CC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624291	1	39	-1.0	-47.86	319.90	9.17	-38.69
CCSC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624292	0	33	-1.0	-48.54	291.54	7.84	-40.70
CCSC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624292	1	33	-1.0	-48.67	291.40	7.86	-40.81
CC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624293	0	26	-1.0	-43.89	238.88	6.13	-37.76
CC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624293	1	26	-1.0	-43.78	239.02	6.12	-37.66
CC1=NN=C(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624294	0	31	-1.0	-65.03	272.69	2.34	-62.69
CC1=NN=C(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624294	1	31	-1.0	-64.97	272.83	2.33	-62.64
CN(C(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL250004624295	0	27	-1.0	-46.82	254.89	5.75	-41.07
CN(C(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL250004624295	1	27	-1.0	-46.73	255.04	5.75	-40.98
CN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004624296	0	42	-1.0	-47.25	308.37	8.09	-39.16
CN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004624296	1	42	-1.0	-47.34	308.22	8.11	-39.23
COC1=CC=CC(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)=C1	REAL250004624297	0	34	-1.0	-48.15	292.83	4.89	-43.26
COC1=CC=CC(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)=C1	REAL250004624297	1	34	-1.0	-48.03	292.97	4.87	-43.16
CC(C)CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624298	0	41	-1.0	-46.16	332.46	9.47	-36.69
CC(C)CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624298	1	41	-1.0	-46.22	332.32	9.49	-36.73
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004624299	0	32	-1.0	-48.32	276.14	7.29	-41.03
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004624299	1	32	-1.0	-48.34	276.00	7.30	-41.04
CN(C(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL250004624300	0	26	-1.0	-51.87	258.93	4.33	-47.54
CN(C(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL250004624300	1	26	-1.0	-51.91	258.79	4.36	-47.55
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC(Cl)=CC=C2N1	REAL250004624301	0	30	-1.0	-52.27	279.54	6.29	-45.98
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC(Cl)=CC=C2N1	REAL250004624301	1	30	-1.0	-52.22	279.68	6.28	-45.94
CN(C(=O)C1=CC2=C(C=C1O)CCCC2)C1=NN=N[N-]1	REAL250004624302	0	34	-1.0	-48.61	277.51	5.16	-43.45
CN(C(=O)C1=CC2=C(C=C1O)CCCC2)C1=N[N-]N=N1	REAL250004624302	1	34	-1.0	-48.54	277.65	5.15	-43.39
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004624303	0	32	-1.0	-32.40	258.02	5.14	-27.26
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004624303	1	32	-1.0	-32.40	257.89	5.14	-27.26
CC(CCC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004624304	0	35	-1.0	-48.87	287.04	7.91	-40.96
CC(CCC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004624304	1	35	-1.0	-48.95	286.90	7.93	-41.02
CN(C(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004624305	0	32	-1.0	-48.99	284.29	7.51	-41.48
CN(C(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004624305	1	32	-1.0	-48.98	284.14	7.50	-41.48
CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL250004624306	0	40	-1.0	-53.30	318.23	6.33	-46.97
CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL250004624306	1	40	-1.0	-53.38	318.10	6.36	-47.02
CCC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004624307	0	39	-1.0	-47.42	313.92	7.13	-40.29
CCC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004624307	1	39	-1.0	-47.55	313.78	7.15	-40.40
CN(C(=O)C1=CC=CC2=C1OC(=O)N2)C1=NN=N[N-]1	REAL250004624308	0	26	-1.0	-61.27	236.82	2.49	-58.78
CN(C(=O)C1=CC=CC2=C1OC(=O)N2)C1=N[N-]N=N1	REAL250004624308	1	26	-1.0	-61.19	236.96	2.48	-58.71
CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004624309	0	44	-1.0	-46.84	311.47	8.02	-38.82
CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004624309	1	44	-1.0	-46.89	311.33	8.03	-38.86
CC1=CC=C(F)C(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624310	0	30	-1.0	-54.96	266.41	6.59	-48.37
CC1=CC=C(F)C(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624310	1	30	-1.0	-55.06	266.28	6.61	-48.45
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1Cl	REAL250004624311	0	33	-1.0	-49.55	292.94	7.52	-42.03
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1Cl	REAL250004624311	1	33	-1.0	-49.57	292.80	7.55	-42.02
CN(C(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004624312	0	37	-1.0	-51.23	301.51	8.34	-42.89
CN(C(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004624312	1	37	-1.0	-51.24	301.38	8.37	-42.87
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004624313	0	31	-1.0	-52.95	262.63	5.44	-47.51
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004624313	1	31	-1.0	-52.87	262.77	5.42	-47.45
CCOC(=O)NCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624314	0	33	-1.0	-49.70	284.85	2.43	-47.27
CCOC(=O)NCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624314	1	33	-1.0	-49.81	284.71	2.47	-47.34
CN(C(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL250004624315	0	38	-1.0	-47.06	276.44	6.86	-40.20
CN(C(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL250004624315	1	38	-1.0	-47.13	276.30	6.88	-40.25
CN(C(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL250004624316	0	28	-1.0	-49.25	252.24	5.82	-43.43
CN(C(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL250004624316	1	28	-1.0	-49.31	252.10	5.84	-43.47
CC(C(=O)N(C)C1=N[N-]N=N1)N1CCSCC1	REAL250004624317	0	32	-1.0	-30.16	252.97	3.25	-26.91
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCSCC1	REAL250004624317	1	32	-1.0	-30.20	252.83	3.27	-26.93
CN(C(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL250004624318	0	26	-1.0	-50.65	246.44	1.49	-49.16
CN(C(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL250004624318	1	26	-1.0	-50.60	246.58	1.49	-49.11
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL250004624319	0	33	-1.0	-45.78	273.13	6.86	-38.92
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL250004624319	1	33	-1.0	-45.72	273.28	6.85	-38.87
COC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)C=C1	REAL250004624320	0	34	-1.0	-48.74	292.80	4.88	-43.86
COC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)C=C1	REAL250004624320	1	34	-1.0	-48.67	292.94	4.87	-43.80
CC1=NC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624321	0	25	-1.0	-43.23	234.19	4.19	-39.04
CC1=NC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624321	1	25	-1.0	-43.15	234.31	4.17	-38.98
CN(C(=O)C1(SC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004624322	0	31	-1.0	-46.77	273.96	7.56	-39.21
CN(C(=O)C1(SC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004624322	1	31	-1.0	-46.87	273.82	7.57	-39.30
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004624323	0	38	-1.0	-46.65	305.54	6.07	-40.58
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004624323	1	38	-1.0	-46.72	305.40	6.08	-40.64
CN(C(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004624324	0	29	-1.0	-46.72	263.13	6.88	-39.84
CN(C(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004624324	1	29	-1.0	-46.81	262.99	6.91	-39.90
CC(C)C1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624325	0	39	-1.0	-46.47	318.34	7.63	-38.84
CC(C)C1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624325	1	39	-1.0	-46.50	318.21	7.66	-38.84
CN(C(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL250004624326	0	33	-1.0	-44.11	274.42	5.26	-38.85
CN(C(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL250004624326	1	33	-1.0	-44.02	274.56	5.24	-38.78
CN(C(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL250004624327	0	28	-1.0	-48.18	264.67	4.98	-43.20
CN(C(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL250004624327	1	28	-1.0	-48.12	264.81	4.96	-43.16
CCCC1CC(C(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004624328	0	36	-1.0	-31.15	280.62	5.60	-25.55
CCCC1CC(C(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004624328	1	36	-1.0	-31.17	280.47	5.62	-25.55
CN(C(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL250004624329	0	29	-1.0	-48.93	262.74	6.49	-42.44
CN(C(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL250004624329	1	29	-1.0	-49.00	262.61	6.52	-42.48
CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004624330	0	37	-1.0	-48.12	303.36	4.54	-43.58
CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004624330	1	37	-1.0	-48.21	303.23	4.57	-43.64
CN(C(=O)C1=CC=CC=C1N1C=CN=N1)C1=NN=N[N-]1	REAL250004624331	0	29	-1.0	-67.39	253.37	4.99	-62.40
CN(C(=O)C1=CC=CC=C1N1C=CN=N1)C1=N[N-]N=N1	REAL250004624331	1	29	-1.0	-67.30	253.52	4.98	-62.32
COC1=CC2=NNN=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624332	0	29	-1.0	-49.00	251.75	2.35	-46.65
COC1=CC2=NNN=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624332	1	29	-1.0	-48.90	251.89	2.34	-46.56
CN(C(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004624333	0	31	-1.0	-50.96	271.83	4.40	-46.56
CN(C(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004624333	1	31	-1.0	-51.09	271.69	4.45	-46.64
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624334	0	32	-1.0	-45.52	282.36	6.79	-38.73
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624334	1	32	-1.0	-45.49	282.49	6.76	-38.73
CC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624335	0	29	-1.0	-41.84	258.29	6.60	-35.24
CC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624335	1	29	-1.0	-41.94	258.15	6.64	-35.30
CN(C(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL250004624336	0	27	-1.0	-43.41	241.87	2.59	-40.82
CN(C(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL250004624336	1	27	-1.0	-43.38	242.01	2.58	-40.80
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1C	REAL250004624337	0	29	-1.0	-49.75	254.39	6.57	-43.18
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1C	REAL250004624337	1	29	-1.0	-49.67	254.54	6.55	-43.12
CN(C(=O)CN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004624338	0	29	-1.0	-54.21	257.58	6.98	-47.23
CN(C(=O)CN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004624338	1	29	-1.0	-54.22	257.44	7.00	-47.22
CCC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624339	0	35	-1.0	-53.98	295.99	7.35	-46.63
CCC1=NC2=CC=CC=C2N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624339	1	35	-1.0	-53.91	296.12	7.33	-46.58
CN(C(=O)CC(=O)NCC(F)(F)F)C1=N[N-]N=N1	REAL250004624340	0	26	-1.0	-56.67	246.75	3.27	-53.40
CN(C(=O)CC(=O)NCC(F)(F)F)C1=NN=N[N-]1	REAL250004624340	1	26	-1.0	-56.73	246.62	3.29	-53.44
CN(C(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL250004624341	0	27	-1.0	-46.01	263.29	6.72	-39.29
CN(C(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL250004624341	1	27	-1.0	-45.92	263.44	6.72	-39.20
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624342	0	35	-1.0	-56.88	278.00	4.56	-52.32
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624342	1	35	-1.0	-56.97	277.86	4.58	-52.39
CN(C(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL250004624343	0	31	-1.0	-46.48	274.10	7.57	-38.91
CN(C(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL250004624343	1	31	-1.0	-46.38	274.31	7.56	-38.82
CN(C(=O)C1=CC2=NNN=C2C=C1F)C1=NN=N[N-]1	REAL250004624344	0	25	-1.0	-47.54	230.38	2.28	-45.26
CN(C(=O)C1=CC2=NNN=C2C=C1F)C1=N[N-]N=N1	REAL250004624344	1	25	-1.0	-47.48	230.51	2.27	-45.21
CN(C(=O)CCCCC1=NNN=C1)C1=N[N-]N=N1	REAL250004624345	0	31	-1.0	-49.28	268.05	3.40	-45.88
CN(C(=O)CCCCC1=NNN=C1)C1=NN=N[N-]1	REAL250004624345	1	31	-1.0	-49.39	267.91	3.43	-45.96
CCC(CC)N1N=C(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624346	0	38	-1.0	-45.03	302.21	6.42	-38.61
CCC(CC)N1N=C(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624346	1	38	-1.0	-44.98	302.35	6.40	-38.58
CC1=CC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004624347	0	35	-1.0	-48.27	285.36	7.65	-40.62
CC1=CC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004624347	1	35	-1.0	-48.33	285.22	7.69	-40.64
CC(CCCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624348	0	38	-1.0	-47.54	305.50	8.56	-38.98
CC(CCCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624348	1	38	-1.0	-47.63	305.36	8.60	-39.03
CN(C(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL250004624349	0	30	-1.0	-47.88	268.73	7.40	-40.48
CN(C(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL250004624349	1	30	-1.0	-47.93	268.59	7.43	-40.50
CC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624350	0	35	-1.0	-46.00	283.18	7.65	-38.35
CC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624350	1	35	-1.0	-46.01	283.04	7.68	-38.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=CN=CN21	REAL250004624351	0	29	-1.0	-45.18	254.34	6.85	-38.33
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004624351	1	29	-1.0	-45.28	254.20	6.85	-38.43
CN(C(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004624352	0	33	-1.0	-49.55	282.63	6.82	-42.73
CN(C(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004624352	1	33	-1.0	-49.61	282.50	6.85	-42.76
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004624353	0	36	-1.0	-33.16	288.72	6.37	-26.79
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004624353	1	36	-1.0	-33.22	288.61	6.38	-26.84
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=N[N-]N=N1	REAL250004624354	0	33	-1.0	-43.68	267.93	7.27	-36.41
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=NN=N[N-]1	REAL250004624354	1	33	-1.0	-43.76	267.80	7.28	-36.48
CN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004624355	0	38	-1.0	-51.26	318.88	9.81	-41.45
CN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004624355	1	38	-1.0	-51.36	318.74	9.85	-41.51
C=CCCOCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624356	0	36	-1.0	-47.10	302.69	5.93	-41.17
C=CCCOCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624356	1	36	-1.0	-47.21	302.56	5.97	-41.24
CC(C)C(NS(C)(=O)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624357	0	33	-1.0	-58.00	274.40	0.36	-57.64
CC(C)C(NS(C)(=O)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624357	1	33	-1.0	-58.06	274.32	0.37	-57.69
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004624358	0	32	-1.0	-47.52	275.31	4.05	-43.47
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004624358	1	32	-1.0	-47.48	275.44	4.07	-43.41
CN(C(=O)C1=CC=CC=C1COC(C)(C)C)C1=NN=N[N-]1	REAL250004624359	0	39	-1.0	-48.35	310.75	6.96	-41.39
CN(C(=O)C1=CC=CC=C1COC(C)(C)C)C1=N[N-]N=N1	REAL250004624359	1	39	-1.0	-48.28	310.88	6.95	-41.33
CCC(C)N1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624360	0	35	-1.0	-50.35	287.73	6.06	-44.29
CCC(C)N1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624360	1	35	-1.0	-50.41	287.58	6.08	-44.33
CN(C(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL250004624362	0	30	-1.0	-49.69	265.94	4.21	-45.48
CN(C(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL250004624362	1	30	-1.0	-49.62	266.07	4.20	-45.42
CN(C(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004624363	0	28	-1.0	-46.12	247.82	-1.03	-47.15
CN(C(=O)C1=CN=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004624363	1	28	-1.0	-46.10	247.95	-1.04	-47.14
CN(C(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL250004624364	0	24	-1.0	-46.56	239.23	5.71	-40.85
CN(C(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL250004624364	1	24	-1.0	-46.49	239.37	5.72	-40.77
CN(C(=O)CSC1=NN=NN1C)C1=NN=N[N-]1	REAL250004624365	0	25	-1.0	-45.54	242.94	2.62	-42.92
CN(C(=O)CSC1=NN=NN1C)C1=N[N-]N=N1	REAL250004624365	1	25	-1.0	-45.53	243.08	2.59	-42.94
CN(C(=O)CC(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004624366	0	30	-1.0	-49.44	274.90	4.97	-44.47
CN(C(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004624366	1	30	-1.0	-49.49	274.76	4.99	-44.50
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004624367	0	33	-1.0	-48.97	274.92	5.97	-43.00
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004624367	1	33	-1.0	-48.85	275.06	5.95	-42.90
CN(C(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004624368	0	35	-1.0	-43.83	293.81	7.27	-36.56
CN(C(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004624368	1	35	-1.0	-43.79	293.94	7.26	-36.53
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1CC	REAL250004624369	0	35	-1.0	-48.57	279.11	7.46	-41.11
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1CC	REAL250004624369	1	35	-1.0	-48.53	279.26	7.47	-41.06
CN(C(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL250004624370	0	30	-1.0	-46.16	266.40	6.83	-39.33
CN(C(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL250004624370	1	30	-1.0	-46.23	266.26	6.86	-39.37
CN(C(=O)C1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL250004624371	0	27	-1.0	-51.76	245.48	5.81	-45.95
CN(C(=O)C1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL250004624371	1	27	-1.0	-51.83	245.34	5.81	-46.02
CN(C(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004624372	0	28	-1.0	-40.00	265.09	6.59	-33.41
CN(C(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004624372	1	28	-1.0	-40.11	264.96	6.63	-33.48
CSC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624373	0	30	-1.0	-49.19	267.33	6.87	-42.32
CSC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624373	1	30	-1.0	-49.23	267.20	6.91	-42.32
COCCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004624374	0	33	-1.0	-49.71	285.48	1.87	-47.84
COCCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004624374	1	33	-1.0	-49.64	285.62	1.85	-47.79
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004624375	0	28	-1.0	-50.08	251.64	5.41	-44.67
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004624375	1	28	-1.0	-50.05	251.78	5.41	-44.64
CC1=CSC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C(=O)N12	REAL250004624376	0	28	-1.0	-57.91	261.80	4.69	-53.22
CC1=CSC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C(=O)N12	REAL250004624376	1	28	-1.0	-57.85	261.94	4.69	-53.16
CC(CC(=O)N(C)C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004624377	0	35	-1.0	-49.00	302.13	8.48	-40.52
CC(CC(=O)N(C)C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004624377	1	35	-1.0	-49.06	302.00	8.49	-40.57
CN(C(=O)C=CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL250004624378	0	29	-1.0	-51.64	260.50	1.57	-50.07
CN(C(=O)C=CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL250004624378	1	29	-1.0	-51.53	260.65	1.56	-49.97
CN(C(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL250004624379	0	28	-1.0	-57.57	253.93	0.82	-56.75
CN(C(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL250004624379	1	28	-1.0	-57.43	254.07	0.83	-56.60
CN(C(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004624380	0	28	-1.0	-51.79	244.59	5.33	-46.46
CN(C(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004624380	1	28	-1.0	-51.70	244.73	5.32	-46.38
CC(O)C(NC(=O)C1CCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624381	0	40	-1.0	-44.62	309.30	1.44	-43.18
CC(O)C(NC(=O)C1CCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624381	1	40	-1.0	-44.73	309.17	1.46	-43.27
CC(O)C(NC(=O)C1CC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624382	0	34	-1.0	-42.12	277.84	1.66	-40.46
CC(O)C(NC(=O)C1CC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624382	1	34	-1.0	-42.18	277.71	1.69	-40.49
COC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624383	0	33	-1.0	-46.35	274.14	5.74	-40.61
COC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624383	1	33	-1.0	-46.61	274.29	5.74	-40.87
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=N[N-]N=N1	REAL250004624384	0	27	-1.0	-46.80	249.17	4.29	-42.51
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=NN=N[N-]1	REAL250004624384	1	27	-1.0	-46.88	249.03	4.30	-42.58
CN(C(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL250004624385	0	23	-1.0	-48.85	228.21	5.50	-43.35
CN(C(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL250004624385	1	23	-1.0	-48.92	228.06	5.50	-43.42
CN(C(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624386	0	31	-1.0	-45.76	270.10	6.34	-39.42
CN(C(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624386	1	31	-1.0	-45.74	270.22	6.32	-39.42
CN(C(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL250004624387	0	19	-1.0	-46.47	205.17	2.51	-43.96
CN(C(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL250004624387	1	19	-1.0	-46.39	205.32	2.50	-43.89
CC(C(=O)N(C)C1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL250004624388	0	36	-1.0	-55.89	286.50	3.99	-51.90
CC(C(=O)N(C)C1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL250004624388	1	36	-1.0	-55.80	286.63	3.96	-51.84
CN(C(=O)C1=CSC(NC2CC2)=N1)C1=NN=N[N-]1	REAL250004624389	0	28	-1.0	-46.84	258.02	4.66	-42.18
CN(C(=O)C1=CSC(NC2CC2)=N1)C1=N[N-]N=N1	REAL250004624389	1	28	-1.0	-46.84	258.16	4.63	-42.21
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL250004624390	0	36	-1.0	-50.07	303.74	7.86	-42.21
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL250004624390	1	36	-1.0	-50.01	303.90	7.85	-42.16
CN(C(=O)C1=C(N)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624391	0	27	-1.0	-60.48	247.25	3.90	-56.58
CN(C(=O)C1=C(N)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624391	1	27	-1.0	-60.37	247.39	3.89	-56.48
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C(C)C1CC1	REAL250004624392	0	36	-1.0	-50.66	301.02	6.97	-43.69
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C(C)C1CC1	REAL250004624392	1	36	-1.0	-50.74	300.87	6.98	-43.76
CN(C(=O)C1=NC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624393	0	25	-1.0	-53.30	229.52	5.25	-48.05
CN(C(=O)C1=NC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624393	1	25	-1.0	-53.22	229.66	5.23	-47.99
CCOC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624394	0	30	-1.0	-49.64	271.85	6.24	-43.40
CCOC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624394	1	30	-1.0	-49.57	271.99	6.22	-43.35
CC1=CN2C(=NC=C(C(=O)N(C)C3=NN=N[N-]3)C2=O)S1	REAL250004624395	0	28	-1.0	-59.42	267.53	4.99	-54.43
CC1=CN2C(=NC=C(C(=O)N(C)C3=N[N-]N=N3)C2=O)S1	REAL250004624395	1	28	-1.0	-59.32	267.63	4.97	-54.35
CN(C(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL250004624396	0	29	-1.0	-56.62	263.88	4.79	-51.83
CN(C(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL250004624396	1	29	-1.0	-56.55	264.02	4.77	-51.78
CN(C(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004624397	0	32	-1.0	-45.10	286.27	4.42	-40.68
CN(C(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004624397	1	32	-1.0	-45.04	286.41	4.42	-40.62
CN(C(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624398	0	33	-1.0	-52.57	288.02	6.27	-46.30
CN(C(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624398	1	33	-1.0	-52.52	288.16	6.26	-46.26
COC1=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=CC=C1	REAL250004624399	0	34	-1.0	-54.10	289.78	5.38	-48.72
COC1=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=CC=C1	REAL250004624399	1	34	-1.0	-54.03	289.91	5.35	-48.68
CCCCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624400	0	46	-1.0	-46.64	355.31	9.67	-36.97
CCCCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624400	1	46	-1.0	-46.75	355.17	9.69	-37.06
C=CCOC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624401	0	30	-1.0	-56.29	261.47	6.24	-50.05
C=CCOC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624401	1	30	-1.0	-56.22	261.61	6.24	-49.98
CN(C(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624402	0	28	-1.0	-46.09	256.49	4.60	-41.49
CN(C(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624402	1	28	-1.0	-46.02	256.63	4.60	-41.42
CN(C(=O)C(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624403	0	30	-1.0	-51.86	264.36	6.71	-45.15
CN(C(=O)C(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624403	1	30	-1.0	-51.75	264.50	6.69	-45.06
CN(C(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004624404	0	33	-1.0	-51.47	295.94	8.27	-43.20
CN(C(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004624404	1	33	-1.0	-51.59	295.80	8.30	-43.29
CCC(C)OC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004624405	0	35	-1.0	-47.49	292.76	4.33	-43.16
CCC(C)OC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004624405	1	35	-1.0	-47.45	292.90	4.31	-43.14
CC1=CC(C)=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624406	0	33	-1.0	-47.92	281.59	7.80	-40.12
CC1=CC(C)=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624406	1	33	-1.0	-47.85	281.74	7.79	-40.06
CC(C)CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004624407	0	35	-1.0	-51.47	286.17	4.29	-47.18
CC(C)CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004624407	1	35	-1.0	-51.45	286.31	4.29	-47.16
COC(=O)C1=NOC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624408	0	25	-1.0	-40.34	238.10	3.24	-37.10
COC(=O)C1=NOC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624408	1	25	-1.0	-40.28	238.24	3.24	-37.04
CC(=CC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004624409	0	30	-1.0	-50.79	266.40	7.26	-43.53
CC(=CC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004624409	1	30	-1.0	-50.86	266.26	7.25	-43.61
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004624410	0	27	-1.0	-45.14	248.49	4.77	-40.37
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004624410	1	27	-1.0	-45.09	248.63	4.77	-40.32
CCC1=NN(C)C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624411	0	29	-1.0	-45.37	271.54	4.61	-40.76
CCC1=NN(C)C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624411	1	29	-1.0	-45.40	271.39	4.64	-40.76
CN(C(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=NN=N[N-]1	REAL250004624412	0	30	-1.0	-49.07	270.16	7.56	-41.51
CN(C(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=N[N-]N=N1	REAL250004624412	1	30	-1.0	-49.00	270.30	7.57	-41.43
CN(C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004624413	0	26	-1.0	-46.26	245.63	5.94	-40.32
CN(C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004624413	1	26	-1.0	-46.35	245.49	5.97	-40.38
CN(C(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004624414	0	31	-1.0	-49.80	278.52	7.67	-42.13
CN(C(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004624414	1	31	-1.0	-49.86	278.38	7.71	-42.15
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC(C)C	REAL250004624415	0	38	-1.0	-47.49	307.98	6.28	-41.21
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC(C)C	REAL250004624415	1	38	-1.0	-47.58	307.83	6.31	-41.27
CN(C(=O)CCC(=O)NC1CCCC1)C1=N[N-]N=N1	REAL250004624416	0	36	-1.0	-45.76	294.97	4.31	-41.45
CN(C(=O)CCC(=O)NC1CCCC1)C1=NN=N[N-]1	REAL250004624416	1	36	-1.0	-45.83	294.83	4.35	-41.48
CN(C(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004624417	0	30	-1.0	-51.11	266.33	6.19	-44.92
CN(C(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004624417	1	30	-1.0	-51.02	266.48	6.17	-44.85
CC(C)NC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624418	0	36	-1.0	-51.21	300.17	4.84	-46.37
CC(C)NC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624418	1	36	-1.0	-51.15	300.31	4.84	-46.31
CN(C(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NN=N[N-]1	REAL250004624419	0	29	-1.0	-56.75	256.35	5.75	-51.00
CN(C(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=N[N-]N=N1	REAL250004624419	1	29	-1.0	-56.70	256.49	5.76	-50.94
CN(C(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL250004624420	0	30	-1.0	-50.67	261.05	6.49	-44.18
CN(C(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL250004624420	1	30	-1.0	-50.58	261.20	6.50	-44.08
COC1=CC2=C(CC(=O)N(C)C3=NN=N[N-]3)C=CC=C2C=C1	REAL250004624421	0	36	-1.0	-53.46	301.74	7.42	-46.04
COC1=CC2=C(CC(=O)N(C)C3=N[N-]N=N3)C=CC=C2C=C1	REAL250004624421	1	36	-1.0	-53.33	301.87	7.38	-45.95
CN(C(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624422	0	39	-1.0	-49.87	303.31	7.50	-42.37
CN(C(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624422	1	39	-1.0	-49.91	303.17	7.53	-42.38
CN(C(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL250004624423	0	34	-1.0	-49.67	276.41	5.53	-44.14
CN(C(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL250004624423	1	34	-1.0	-49.66	276.54	5.53	-44.13
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004624424	0	27	-1.0	-55.86	239.15	4.34	-51.52
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004624424	1	27	-1.0	-55.81	239.29	4.31	-51.50
CN(C(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004624425	0	32	-1.0	-60.51	285.83	7.70	-52.81
CN(C(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004624425	1	32	-1.0	-60.41	285.96	7.67	-52.74
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004624426	0	32	-1.0	-48.54	280.20	7.13	-41.41
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004624426	1	32	-1.0	-48.44	280.35	7.12	-41.32
CN(C(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004624427	0	27	-1.0	-49.31	252.23	-2.15	-51.46
CN(C(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004624427	1	27	-1.0	-49.26	252.37	-2.15	-51.41
COC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624428	0	30	-1.0	-41.90	266.36	5.22	-36.68
COC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624428	1	30	-1.0	-42.02	266.23	5.26	-36.76
CN(C(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL250004624429	0	34	-1.0	-51.12	290.14	4.91	-46.21
CN(C(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL250004624429	1	34	-1.0	-51.06	290.28	4.92	-46.14
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1O	REAL250004624430	0	32	-1.0	-46.29	272.40	1.97	-44.32
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1O	REAL250004624430	1	32	-1.0	-46.20	272.54	1.96	-44.24
CN(C(=O)C1=CN2C(=O)NN=C2C=C1)C1=NN=N[N-]1	REAL250004624431	0	26	-1.0	-49.73	233.49	3.25	-46.48
CN(C(=O)C1=CN2C(=O)NN=C2C=C1)C1=N[N-]N=N1	REAL250004624431	1	26	-1.0	-49.68	233.64	3.25	-46.43
CC(=O)CCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624432	0	36	-1.0	-50.56	300.55	6.79	-43.77
CC(=O)CCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624432	1	36	-1.0	-50.61	300.42	6.82	-43.79
CN(C(=O)C1=C(Cl)C=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004624433	0	24	-1.0	-45.13	261.49	6.35	-38.78
CN(C(=O)C1=C(Cl)C=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004624433	1	24	-1.0	-45.25	261.35	6.36	-38.89
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL250004624434	0	26	-1.0	-44.99	241.69	6.09	-38.90
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL250004624434	1	26	-1.0	-45.11	241.55	6.09	-39.02
CC(C)CC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624435	0	41	-1.0	-33.03	321.13	9.27	-23.76
CC(C)CC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624435	1	41	-1.0	-33.05	320.99	9.28	-23.77
CN(C(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004624436	0	23	-1.0	-44.29	228.75	5.53	-38.76
CN(C(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004624436	1	23	-1.0	-44.41	228.61	5.53	-38.88
CN(C(=O)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL250004624437	0	25	-1.0	-48.97	239.88	3.47	-45.50
CN(C(=O)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL250004624437	1	25	-1.0	-48.95	240.03	3.47	-45.48
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(N(C)C)=N1	REAL250004624438	0	30	-1.0	-47.80	260.71	4.36	-43.44
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(N(C)C)=N1	REAL250004624438	1	30	-1.0	-47.71	260.86	4.36	-43.35
CCOC(=O)C1=CN=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624439	0	34	-1.0	-44.29	294.35	5.39	-38.90
CCOC(=O)C1=CN=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624439	1	34	-1.0	-44.41	294.21	5.40	-39.01
CC(C(=O)N(C)C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004624440	0	35	-1.0	-34.13	272.61	5.28	-28.85
CC(C(=O)N(C)C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004624440	1	35	-1.0	-34.18	272.49	5.30	-28.88
CN(C(=O)C1=CC=CC2=C1OC(=O)N2C)C1=NN=N[N-]1	REAL250004624441	0	29	-1.0	-63.75	258.49	4.93	-58.82
CN(C(=O)C1=CC=CC2=C1OC(=O)N2C)C1=N[N-]N=N1	REAL250004624441	1	29	-1.0	-63.71	258.63	4.91	-58.80
CN(C(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL250004624442	0	30	-1.0	-46.85	265.67	3.06	-43.79
CN(C(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL250004624442	1	30	-1.0	-46.90	265.53	3.06	-43.84
CN(C(=O)C1=CC(F)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004624443	0	28	-1.0	-54.97	247.06	5.71	-49.26
CN(C(=O)C1=CC(F)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004624443	1	28	-1.0	-54.88	247.21	5.71	-49.17
CN(C(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL250004624444	0	28	-1.0	-46.17	252.39	5.09	-41.08
CN(C(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL250004624444	1	28	-1.0	-46.05	252.52	5.07	-40.98
CC1=NC2=CC=NN2C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624445	0	31	-1.0	-42.39	271.41	5.13	-37.26
CC1=NC2=CC=NN2C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624445	1	31	-1.0	-42.33	271.53	5.11	-37.22
CN(C(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL250004624446	0	29	-1.0	-47.89	264.10	4.35	-43.54
CN(C(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL250004624446	1	29	-1.0	-47.81	264.24	4.33	-43.48
CN(C(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL250004624447	0	35	-1.0	-45.66	281.94	1.95	-43.71
CN(C(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL250004624447	1	35	-1.0	-45.60	282.08	1.94	-43.66
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Br	REAL250004624448	0	26	-1.0	-49.37	241.10	6.10	-43.27
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Br	REAL250004624448	1	26	-1.0	-49.44	240.96	6.11	-43.33
CN(C(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL250004624449	0	39	-1.0	-32.40	280.20	7.45	-24.95
CN(C(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL250004624449	1	39	-1.0	-32.46	280.07	7.42	-25.04
CN(C(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004624450	0	23	-1.0	-42.48	224.67	5.47	-37.01
CN(C(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004624450	1	23	-1.0	-42.40	224.81	5.48	-36.92
CN(C(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004624451	0	32	-1.0	-49.82	284.74	7.66	-42.16
CN(C(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004624451	1	32	-1.0	-49.90	284.60	7.69	-42.21
COC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624452	0	36	-1.0	-46.84	291.26	6.27	-40.57
COC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624452	1	36	-1.0	-46.93	291.13	6.29	-40.64
CN(C(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL250004624453	0	35	-1.0	-49.68	292.42	6.97	-42.71
CN(C(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL250004624453	1	35	-1.0	-49.75	292.29	7.01	-42.74
CC1=NOC(C)=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624454	0	34	-1.0	-45.56	276.41	5.81	-39.75
CC1=NOC(C)=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624454	1	34	-1.0	-45.66	276.27	5.82	-39.84
CN(C(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624455	0	38	-1.0	-49.12	298.80	8.12	-41.00
CN(C(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624455	1	38	-1.0	-49.17	298.67	8.15	-41.02
CCS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624456	0	32	-1.0	-56.69	283.51	3.31	-53.38
CCS(=O)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624456	1	32	-1.0	-56.76	283.36	3.31	-53.45
CC1=CC=C(S(N)(=O)=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624457	0	31	-1.0	-52.43	271.84	1.34	-51.09
CC1=CC=C(S(N)(=O)=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624457	1	31	-1.0	-52.33	271.98	1.34	-50.99
CC1=NNC(C)=C1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624458	0	35	-1.0	-47.04	278.41	4.56	-42.48
CC1=NNC(C)=C1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624458	1	35	-1.0	-47.00	278.54	4.55	-42.45
CN(C(=O)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL250004624459	0	33	-1.0	-45.17	273.68	5.89	-39.28
CN(C(=O)C1=CC=NC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL250004624459	1	33	-1.0	-45.06	273.82	5.88	-39.18
CN(C(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004624460	0	34	-1.0	-48.03	270.50	3.41	-44.62
CN(C(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004624460	1	34	-1.0	-48.13	270.36	3.43	-44.70
CN(C(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004624461	0	29	-1.0	-61.55	255.38	4.82	-56.73
CN(C(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004624461	1	29	-1.0	-61.45	255.52	4.83	-56.62
COC1=CC=C2C(=C1)OCC2CC(=O)N(C)C1=N[N-]N=N1	REAL250004624462	0	35	-1.0	-46.74	291.93	5.02	-41.72
COC1=CC=C2C(=C1)OCC2CC(=O)N(C)C1=NN=N[N-]1	REAL250004624462	1	35	-1.0	-46.78	291.79	5.05	-41.73
CCC(C)N1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004624463	0	39	-1.0	-46.94	311.38	6.76	-40.18
CCC(C)N1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004624463	1	39	-1.0	-46.97	311.25	6.76	-40.21
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004624464	0	36	-1.0	-47.41	286.19	6.08	-41.33
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004624464	1	36	-1.0	-47.49	286.04	6.08	-41.41
CN(C(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NN=N[N-]1	REAL250004624465	0	29	-1.0	-68.78	258.65	6.61	-62.17
CN(C(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=N[N-]N=N1	REAL250004624465	1	29	-1.0	-68.65	258.74	6.60	-62.05
CN(C(=O)C(C1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL250004624466	0	33	-1.0	-48.07	270.84	7.62	-40.45
CN(C(=O)C(C1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL250004624466	1	33	-1.0	-47.98	270.97	7.59	-40.39
CC(C(=O)N(C)C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004624467	0	29	-1.0	-37.90	247.49	6.53	-31.37
CC(C(=O)N(C)C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004624467	1	29	-1.0	-37.95	247.36	6.55	-31.40
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004624468	0	35	-1.0	-47.81	290.01	7.63	-40.18
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004624468	1	35	-1.0	-47.88	289.88	7.65	-40.23
CN(C(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL250004624469	0	31	-1.0	-53.95	280.57	5.98	-47.97
CN(C(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL250004624469	1	31	-1.0	-54.01	280.43	6.01	-48.00
CN(C(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL250004624470	0	34	-1.0	-49.45	279.55	5.83	-43.62
CN(C(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL250004624470	1	34	-1.0	-49.41	279.69	5.82	-43.59
COC1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624471	0	36	-1.0	-47.43	280.07	5.38	-42.05
COC1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624471	1	36	-1.0	-47.50	279.94	5.40	-42.10
CN(C(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=NN=N[N-]1	REAL250004624472	0	28	-1.0	-44.57	249.84	5.26	-39.31
CN(C(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=N[N-]N=N1	REAL250004624472	1	28	-1.0	-44.50	249.97	5.27	-39.23
CN(C(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL250004624473	0	29	-1.0	-51.73	264.87	2.91	-48.82
CN(C(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL250004624473	1	29	-1.0	-51.64	265.01	2.90	-48.74
CCC(CC)N1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624474	0	38	-1.0	-50.66	308.03	6.94	-43.72
CCC(CC)N1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624474	1	38	-1.0	-50.73	307.89	6.95	-43.78
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1CCCCC1	REAL250004624475	0	39	-1.0	-50.10	311.15	7.30	-42.80
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1CCCCC1	REAL250004624475	1	39	-1.0	-50.16	311.01	7.32	-42.84
CC(CC1=CC=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004624476	0	32	-1.0	-47.13	275.63	7.37	-39.76
CC(CC1=CC=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004624476	1	32	-1.0	-47.17	275.49	7.38	-39.79
CN(C(=O)C1=CC=CN=C1OCC(F)F)C1=NN=N[N-]1	REAL250004624477	0	29	-1.0	-59.63	265.69	3.49	-56.14
CN(C(=O)C1=CC=CN=C1OCC(F)F)C1=N[N-]N=N1	REAL250004624477	1	29	-1.0	-59.53	265.83	3.48	-56.05
CN(C(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004624478	0	26	-1.0	-45.33	241.35	5.91	-39.42
CN(C(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004624478	1	26	-1.0	-45.39	241.22	5.94	-39.45
COCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624479	0	29	-1.0	-45.08	260.03	2.38	-42.70
COCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624479	1	29	-1.0	-45.12	259.88	2.38	-42.74
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC(C)=CC=C2)N1	REAL250004624480	0	36	-1.0	-50.11	304.15	7.58	-42.53
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC(C)=CC=C2)N1	REAL250004624480	1	36	-1.0	-49.99	304.33	7.55	-42.44
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL250004624480	1	36	-1.0	-44.53	309.68	6.66	-37.87
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C2=CC(C)=CC=C2)=N1	REAL250004624480	1	36	-1.0	-44.48	309.82	6.64	-37.84
CN(C(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004624481	0	31	-1.0	-63.31	266.66	2.02	-61.29
CN(C(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004624481	1	31	-1.0	-63.36	266.52	2.04	-61.32
COC1=CC=CC=C1SCC(=O)N(C)C1=N[N-]N=N1	REAL250004624482	0	31	-1.0	-51.71	277.09	5.81	-45.90
COC1=CC=CC=C1SCC(=O)N(C)C1=NN=N[N-]1	REAL250004624482	1	31	-1.0	-51.77	276.95	5.84	-45.93
CC(CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624483	0	32	-1.0	-45.83	278.48	7.47	-38.36
CC(CC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624483	1	32	-1.0	-45.92	278.35	7.50	-38.42
CN(C(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL250004624484	0	29	-1.0	-47.18	264.02	2.80	-44.38
CN(C(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL250004624484	1	29	-1.0	-47.06	264.17	2.80	-44.26
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL250004624485	0	32	-1.0	-46.60	273.95	4.73	-41.87
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL250004624485	1	32	-1.0	-46.68	273.81	4.76	-41.92
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004624486	0	32	-1.0	-47.78	270.10	7.02	-40.76
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004624486	1	32	-1.0	-47.82	269.96	7.04	-40.78
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004624487	0	32	-1.0	-51.90	278.68	7.16	-44.74
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004624487	1	32	-1.0	-51.83	278.81	7.12	-44.71
CCSC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624488	0	30	-1.0	-48.31	280.60	7.27	-41.04
CCSC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624488	1	30	-1.0	-48.23	280.74	7.27	-40.96
CCC(C(=O)N(C)C1=N[N-]N=N1)C1CCC(C)CC1	REAL250004624489	0	41	-1.0	-49.46	299.32	7.45	-42.01
CCC(C(=O)N(C)C1=NN=N[N-]1)C1CCC(C)CC1	REAL250004624489	1	41	-1.0	-49.50	299.20	7.48	-42.02
CC(C)CN1N=C(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004624490	0	36	-1.0	-41.72	294.63	5.25	-36.47
CC(C)CN1N=C(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004624490	1	36	-1.0	-41.75	294.49	5.28	-36.47
CNC1=NN=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624491	0	26	-1.0	-53.35	247.67	2.20	-51.15
CNC1=NN=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624491	1	26	-1.0	-53.38	247.53	2.24	-51.14
CN(C(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004624492	0	30	-1.0	-47.51	275.96	7.47	-40.04
CN(C(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004624492	1	30	-1.0	-47.58	275.83	7.49	-40.09
CN(C(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004624493	0	27	-1.0	-46.80	257.90	6.66	-40.14
CN(C(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004624493	1	27	-1.0	-46.91	257.76	6.68	-40.23
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1Cl	REAL250004624494	0	26	-1.0	-46.46	245.05	3.99	-42.47
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1Cl	REAL250004624494	1	26	-1.0	-46.42	245.19	3.98	-42.44
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624495	0	29	-1.0	-46.01	255.15	5.99	-40.02
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624495	1	29	-1.0	-45.93	255.30	5.99	-39.94
COC1=CC=CC=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624496	0	29	-1.0	-48.67	259.19	5.56	-43.11
COC1=CC=CC=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624496	1	29	-1.0	-48.61	259.32	5.57	-43.04
CN(C(=O)CN1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL250004624497	0	32	-1.0	-57.65	261.65	1.31	-56.34
CN(C(=O)CN1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL250004624497	1	32	-1.0	-57.76	261.51	1.34	-56.42
CN(C(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL250004624499	0	26	-1.0	-53.11	237.56	6.27	-46.84
CN(C(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL250004624499	1	26	-1.0	-53.08	237.71	6.26	-46.82
CN(C(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NN=N[N-]1	REAL250004624500	0	26	-1.0	-40.49	239.59	2.80	-37.69
CN(C(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=N[N-]N=N1	REAL250004624500	1	26	-1.0	-40.40	239.72	2.77	-37.63
CC(=O)[C@@H]1C[C@H](CC(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004624501	0	37	-1.0	-46.83	292.97	6.57	-40.26
CC(=O)[C@@H]1C[C@H](CC(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004624501	1	37	-1.0	-46.90	292.83	6.60	-40.30
CCC1CCCCC1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004624505	0	39	-1.0	-50.97	302.46	7.35	-43.62
CCC1CCCCC1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004624505	1	39	-1.0	-51.05	302.33	7.37	-43.68
COC1=CC=C(C(=O)C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004624506	0	29	-1.0	-42.26	277.36	4.85	-37.41
COC1=CC=C(C(=O)C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004624506	1	29	-1.0	-42.30	277.23	4.84	-37.46
CC1=NN(CC(F)F)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624507	0	32	-1.0	-46.57	287.45	5.08	-41.49
CC1=NN(CC(F)F)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624507	1	32	-1.0	-46.64	287.29	5.10	-41.54
C=CCOC1=CC(OC)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624508	0	35	-1.0	-53.08	297.43	5.63	-47.45
C=CCOC1=CC(OC)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624508	1	35	-1.0	-53.00	297.57	5.61	-47.39
CN(C(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL250004624509	0	34	-1.0	-45.66	286.65	2.21	-43.45
CN(C(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL250004624509	1	34	-1.0	-45.55	286.79	2.19	-43.36
CN(C(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004624510	0	27	-1.0	-50.69	249.94	2.28	-48.41
CN(C(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004624510	1	27	-1.0	-50.65	250.08	2.27	-48.38
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624511	0	33	-1.0	-47.56	282.63	6.21	-41.35
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624511	1	33	-1.0	-47.48	282.76	6.20	-41.28
CN(C(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004624512	0	31	-1.0	-45.30	285.01	4.13	-41.17
CN(C(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004624512	1	31	-1.0	-45.39	284.87	4.16	-41.23
CC1=CC(C)=NC(=O)N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624513	0	31	-1.0	-63.18	268.51	3.46	-59.72
CC1=CC(C)=NC(=O)N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624513	1	31	-1.0	-63.29	268.37	3.48	-59.81
CN(C(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL250004624515	0	31	-1.0	-48.41	265.83	5.27	-43.14
CN(C(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL250004624515	1	31	-1.0	-48.53	265.70	5.30	-43.23
CC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624516	0	26	-1.0	-44.59	245.83	6.20	-38.39
CC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624516	1	26	-1.0	-44.66	245.69	6.19	-38.47
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004624517	0	31	-1.0	-44.43	274.12	6.92	-37.51
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004624517	1	31	-1.0	-44.49	273.98	6.94	-37.55
CN(C(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL250004624518	0	28	-1.0	-47.00	246.12	3.50	-43.50
CN(C(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL250004624518	1	28	-1.0	-46.88	246.27	3.51	-43.37
CN(C(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL250004624519	0	36	-1.0	-46.86	275.51	5.00	-41.86
CN(C(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL250004624519	1	36	-1.0	-46.93	275.38	5.02	-41.91
CN(C(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL250004624520	0	31	-1.0	-50.42	282.42	6.32	-44.10
CN(C(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL250004624520	1	31	-1.0	-50.52	282.28	6.36	-44.16
CC1CCN(C(=O)C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624521	0	33	-1.0	-44.25	270.53	4.17	-40.08
CC1CCN(C(=O)C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624521	1	33	-1.0	-44.32	270.40	4.18	-40.14
CC1CCCN(C(=O)C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004624522	0	33	-1.0	-44.47	270.40	4.17	-40.30
CC1CCCN(C(=O)C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624522	1	33	-1.0	-44.53	270.27	4.17	-40.36
CN(C(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL250004624523	0	33	-1.0	-45.31	278.11	2.46	-42.85
CN(C(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL250004624523	1	33	-1.0	-45.41	277.97	2.48	-42.93
CNC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004624524	0	30	-1.0	-47.73	262.12	4.94	-42.79
CNC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004624524	1	30	-1.0	-47.69	262.24	4.92	-42.77
CN(C(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004624525	0	36	-1.0	-45.32	295.99	4.82	-40.50
CN(C(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004624525	1	36	-1.0	-45.27	296.13	4.79	-40.48
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004624526	0	40	-1.0	-47.96	322.80	3.97	-43.99
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004624526	1	40	-1.0	-48.03	322.66	3.96	-44.07
CN(C(=O)C1=C(C2CCCC2)N=CS1)C1=N[N-]N=N1	REAL250004624527	0	32	-1.0	-46.14	268.69	5.26	-40.88
CN(C(=O)C1=C(C2CCCC2)N=CS1)C1=NN=N[N-]1	REAL250004624527	1	32	-1.0	-46.22	268.54	5.29	-40.93
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004624528	0	32	-1.0	-48.84	278.74	5.43	-43.41
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004624528	1	32	-1.0	-48.75	278.88	5.41	-43.34
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624529	0	29	-1.0	-48.99	258.20	6.64	-42.35
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624529	1	29	-1.0	-48.91	258.33	6.65	-42.26
CC1=CC=C(F)C=C1C(=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624530	0	28	-1.0	-46.75	254.06	5.68	-41.07
CC1=CC=C(F)C=C1C(=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624530	1	28	-1.0	-46.73	254.19	5.68	-41.05
CC(C)C1CC(CC(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004624531	0	39	-1.0	-46.69	299.74	5.96	-40.73
CC(C)C1CC(CC(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004624531	1	39	-1.0	-46.76	299.60	5.99	-40.77
CC1=C(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)C=CO1	REAL250004624532	0	30	-1.0	-45.42	265.88	2.52	-42.90
CC1=C(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)C=CO1	REAL250004624532	1	30	-1.0	-45.45	265.74	2.54	-42.91
CN(C(=O)CSC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004624533	0	29	-1.0	-51.63	273.56	7.00	-44.63
CN(C(=O)CSC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004624533	1	29	-1.0	-51.62	273.69	6.98	-44.64
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)S2)O1	REAL250004624534	0	30	-1.0	-46.64	276.63	6.57	-40.07
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)S2)O1	REAL250004624534	1	30	-1.0	-46.56	276.78	6.57	-39.99
CN(C(=O)C1=CN(CC2(C)COC2)N=N1)C1=NN=N[N-]1	REAL250004624535	0	33	-1.0	-48.47	278.23	2.66	-45.81
CN(C(=O)C1=CN(CC2(C)COC2)N=N1)C1=N[N-]N=N1	REAL250004624535	1	33	-1.0	-48.39	278.37	2.63	-45.76
COC1=CC2=C(C=C1C(=O)N(C)C1=NN=N[N-]1)OCO2	REAL250004624536	0	30	-1.0	-49.76	259.28	3.47	-46.29
COC1=CC2=C(C=C1C(=O)N(C)C1=N[N-]N=N1)OCO2	REAL250004624536	1	30	-1.0	-49.68	259.42	3.46	-46.22
CCC1CC(CC(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004624537	0	36	-1.0	-46.83	282.72	5.44	-41.39
CCC1CC(CC(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004624537	1	36	-1.0	-46.96	282.59	5.46	-41.50
CN(C(=O)C(Br)C(C)(C)C)C1=N[N-]N=N1	REAL250004624538	0	28	-1.0	-43.83	239.80	5.14	-38.69
CN(C(=O)C(Br)C(C)(C)C)C1=NN=N[N-]1	REAL250004624538	1	28	-1.0	-43.90	239.66	5.17	-38.73
CN(C(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004624541	0	34	-1.0	-49.61	291.76	5.84	-43.77
CN(C(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004624541	1	34	-1.0	-49.50	291.91	5.84	-43.66
CN(C(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004624542	0	34	-1.0	-47.10	299.86	1.57	-45.53
CN(C(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004624542	1	34	-1.0	-47.19	299.72	1.59	-45.60
CN(C(=O)CCCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004624543	0	33	-1.0	-51.44	283.78	4.70	-46.74
CN(C(=O)CCCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004624543	1	33	-1.0	-51.54	283.65	4.74	-46.80
CCCCC(ON=C(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624545	0	38	-1.0	-50.79	314.46	7.10	-43.69
CCCCC(ON=C(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624545	1	38	-1.0	-50.88	314.33	7.13	-43.75
CN(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624546	0	36	-1.0	-47.49	296.79	6.99	-40.50
CN(C)C1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624546	1	36	-1.0	-47.42	296.94	6.98	-40.44
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004624547	0	39	-1.0	-46.93	304.76	6.61	-40.32
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004624547	1	39	-1.0	-47.01	304.61	6.61	-40.40
CN(C(=O)C1=CC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL250004624548	0	23	-1.0	-44.09	231.41	2.46	-41.63
CN(C(=O)C1=CC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL250004624548	1	23	-1.0	-44.04	231.53	2.47	-41.57
CN(C(=O)C1=CC2=NC=CN=C2N=C1)C1=NN=N[N-]1	REAL250004624549	0	26	-1.0	-49.50	233.55	2.42	-47.08
CN(C(=O)C1=CC2=NC=CN=C2N=C1)C1=N[N-]N=N1	REAL250004624549	1	26	-1.0	-49.44	233.69	2.41	-47.03
CN(C(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NN=N[N-]1	REAL250004624550	0	32	-1.0	-52.43	281.10	7.04	-45.39
CN(C(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=N[N-]N=N1	REAL250004624550	1	32	-1.0	-52.32	281.24	7.04	-45.28
CN(C(=O)CC(C)(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624551	0	33	-1.0	-49.34	271.32	4.92	-44.42
CN(C(=O)CC(C)(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624551	1	33	-1.0	-49.43	271.19	4.94	-44.49
CN(C(=O)C1=C(Br)N(C)N=C1)C1=NN=N[N-]1	REAL250004624552	0	23	-1.0	-46.09	222.38	3.11	-42.98
CN(C(=O)C1=C(Br)N(C)N=C1)C1=N[N-]N=N1	REAL250004624552	1	23	-1.0	-45.97	222.52	3.11	-42.86
CN(C(=O)C1=CC2=C(C=N1)OCCC2)C1=NN=N[N-]1	REAL250004624553	0	30	-1.0	-47.88	252.94	4.88	-43.00
CN(C(=O)C1=CC2=C(C=N1)OCCC2)C1=N[N-]N=N1	REAL250004624553	1	30	-1.0	-47.83	253.08	4.86	-42.97
CN(C(=O)C1=CN(C)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624554	0	27	-1.0	-57.35	250.32	5.61	-51.74
CN(C(=O)C1=CN(C)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624554	1	27	-1.0	-57.43	250.17	5.64	-51.79
CN(C(=O)CCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004624555	0	42	-1.0	-53.41	339.37	4.31	-49.10
CN(C(=O)CCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004624555	1	42	-1.0	-53.51	339.23	4.34	-49.17
CC1=NN(C(C)(C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624556	0	35	-1.0	-48.84	287.18	5.33	-43.51
CC1=NN(C(C)(C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624556	1	35	-1.0	-48.77	287.31	5.31	-43.46
CC(C)OC1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624557	0	31	-1.0	-44.12	268.24	2.70	-41.42
CC(C)OC1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624557	1	31	-1.0	-44.04	268.38	2.68	-41.36
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=N1	REAL250004624558	0	33	-1.0	-48.78	278.40	3.18	-45.60
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=N1	REAL250004624558	1	33	-1.0	-48.84	278.25	3.20	-45.64
CN(C(=O)C1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL250004624560	0	29	-1.0	-63.45	246.97	2.22	-61.23
CN(C(=O)C1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL250004624560	1	29	-1.0	-63.53	246.84	2.24	-61.29
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)N2N=CN=C2N1C	REAL250004624561	0	35	-1.0	-45.77	281.48	8.06	-37.71
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)N2N=CN=C2N1C	REAL250004624561	1	35	-1.0	-45.69	281.64	8.06	-37.63
CC(C(=O)N(C)C1=N[N-]N=N1)N(C)CC(F)(F)F	REAL250004624562	0	30	-1.0	-34.15	245.95	2.90	-31.25
CC(C(=O)N(C)C1=NN=N[N-]1)N(C)CC(F)(F)F	REAL250004624562	1	30	-1.0	-34.23	245.90	2.95	-31.28
CN(C(=O)C1=CC(F)=CC2=NNN=C21)C1=NN=N[N-]1	REAL250004624563	0	25	-1.0	-48.76	232.75	2.36	-46.40
CN(C(=O)C1=CC(F)=CC2=NNN=C21)C1=N[N-]N=N1	REAL250004624563	1	25	-1.0	-48.66	232.88	2.33	-46.33
CN(C(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=N[N-]N=N1	REAL250004624564	0	34	-1.0	-46.89	282.14	8.23	-38.66
CN(C(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=NN=N[N-]1	REAL250004624564	1	34	-1.0	-46.93	282.00	8.26	-38.67
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004624565	0	31	-1.0	-46.63	269.09	6.89	-39.74
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004624565	1	31	-1.0	-46.68	268.95	6.91	-39.77
COC1=CC=C2CCC(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624566	0	34	-1.0	-48.60	278.11	6.12	-42.48
COC1=CC=C2CCC(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624566	1	34	-1.0	-48.65	277.97	6.14	-42.51
COC(=O)C12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)C2	REAL250004624567	0	36	-1.0	-52.39	285.35	6.01	-46.38
COC(=O)C12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)C2	REAL250004624567	1	36	-1.0	-52.45	285.22	6.03	-46.42
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004624568	0	41	-1.0	-47.78	324.13	6.90	-40.88
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004624568	1	41	-1.0	-47.86	323.99	6.91	-40.95
CN(C(=O)C(F)(F)C1(O)CCCC1)C1=N[N-]N=N1	REAL250004624569	0	30	-1.0	-37.80	246.86	2.50	-35.30
CN(C(=O)C(F)(F)C1(O)CCCC1)C1=NN=N[N-]1	REAL250004624569	1	30	-1.0	-37.86	246.73	2.53	-35.33
CN(C(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004624570	0	28	-1.0	-44.22	276.53	7.66	-36.56
CN(C(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004624570	1	28	-1.0	-43.97	276.38	7.67	-36.30
CCN1C=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624571	0	28	-1.0	-58.55	252.99	5.83	-52.72
CCN1C=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624571	1	28	-1.0	-58.49	253.13	5.82	-52.67
CC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004624572	0	23	-1.0	-47.50	225.93	4.97	-42.53
CC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004624572	1	23	-1.0	-47.42	226.07	4.96	-42.46
CN(C(=O)C(F)(F)C1CCOCC1)C1=N[N-]N=N1	REAL250004624573	0	30	-1.0	-39.25	246.59	3.80	-35.45
CN(C(=O)C(F)(F)C1CCOCC1)C1=NN=N[N-]1	REAL250004624573	1	30	-1.0	-39.32	246.46	3.83	-35.49
COC1=CC(OC2CC2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624574	0	35	-1.0	-51.57	293.03	6.06	-45.51
COC1=CC(OC2CC2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624574	1	35	-1.0	-51.57	293.17	6.04	-45.53
CN(C(=O)C1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004624575	0	33	-1.0	-47.25	268.71	7.51	-39.74
CN(C(=O)C1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004624575	1	33	-1.0	-47.18	268.84	7.53	-39.65
CCCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1CC	REAL250004624576	0	38	-1.0	-47.19	305.50	6.15	-41.04
CCCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1CC	REAL250004624576	1	38	-1.0	-47.27	305.36	6.17	-41.10
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004624578	0	41	-1.0	-46.90	323.07	6.66	-40.24
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004624578	1	41	-1.0	-46.99	322.93	6.68	-40.31
CN(C(=O)C(F)(F)C1=NC=CS1)C1=NN=N[N-]1	REAL250004624579	0	22	-1.0	-45.24	222.09	3.31	-41.93
CN(C(=O)C(F)(F)C1=NC=CS1)C1=N[N-]N=N1	REAL250004624579	1	22	-1.0	-45.20	222.23	3.29	-41.91
CN(C(=O)C1=CC(Br)=NN1C)C1=NN=N[N-]1	REAL250004624580	0	23	-1.0	-40.99	222.06	3.24	-37.75
CN(C(=O)C1=CC(Br)=NN1C)C1=N[N-]N=N1	REAL250004624580	1	23	-1.0	-40.92	222.20	3.22	-37.70
CC(C)CC1=CC=C([C@H](C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624581	0	41	-1.0	-33.10	321.50	9.28	-23.82
CC(C)CC1=CC=C([C@H](C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624581	1	41	-1.0	-33.17	321.32	9.27	-23.90
CN(C(=O)CC1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004624582	0	30	-1.0	-51.92	265.65	2.78	-49.14
CN(C(=O)CC1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004624582	1	30	-1.0	-52.01	265.51	2.82	-49.19
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(Cl)S1	REAL250004624583	0	22	-1.0	-44.84	223.52	4.24	-40.60
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(Cl)S1	REAL250004624583	1	22	-1.0	-44.79	223.66	4.22	-40.57
CN(C(=O)C(F)(F)C1(O)CCCCC1)C1=N[N-]N=N1	REAL250004624584	0	33	-1.0	-38.16	260.89	4.30	-33.86
CN(C(=O)C(F)(F)C1(O)CCCCC1)C1=NN=N[N-]1	REAL250004624584	1	33	-1.0	-38.24	260.76	4.31	-33.93
CCCOC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624585	0	32	-1.0	-55.79	270.07	6.46	-49.33
CCCOC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624585	1	32	-1.0	-55.77	270.22	6.44	-49.33
COCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624586	0	37	-1.0	-50.73	314.84	5.47	-45.26
COCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624586	1	37	-1.0	-50.82	314.71	5.50	-45.32
CN(C(=O)C(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004624588	0	22	-1.0	-39.52	231.84	4.88	-34.64
CN(C(=O)C(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004624588	1	22	-1.0	-39.57	231.71	4.89	-34.68
COC(C)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004624589	0	33	-1.0	-50.37	263.39	5.52	-44.85
COC(C)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004624589	1	33	-1.0	-50.42	263.26	5.54	-44.88
CCC1=NN(C)C(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624590	0	38	-1.0	-51.61	314.74	6.20	-45.41
CCC1=NN(C)C(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624590	1	38	-1.0	-51.68	314.60	6.24	-45.44
CCOC1=C(Cl)C=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624591	0	33	-1.0	-51.42	297.58	6.84	-44.58
CCOC1=C(Cl)C=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624591	1	33	-1.0	-51.47	297.44	6.87	-44.60
CN(C(=O)C1=CC=C(C2=NNC=C2)S1)C1=NN=N[N-]1	REAL250004624592	0	27	-1.0	-49.30	253.98	4.06	-45.24
CN(C(=O)C1=CC=C(C2=NNC=C2)S1)C1=N[N-]N=N1	REAL250004624592	1	27	-1.0	-49.20	254.13	4.04	-45.16
CC1=CN2C=CN=C(C(=O)N(C)C3=NN=N[N-]3)C2=N1	REAL250004624593	0	28	-1.0	-60.99	247.83	5.53	-55.46
CC1=CN2C=CN=C(C(=O)N(C)C3=N[N-]N=N3)C2=N1	REAL250004624593	1	28	-1.0	-60.89	247.97	5.51	-55.38
CN(C(=O)C1=CC=NC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624594	0	25	-1.0	-48.57	233.07	4.13	-44.44
CN(C(=O)C1=CC=NC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624594	1	25	-1.0	-48.45	233.20	4.12	-44.33
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624596	0	30	-1.0	-48.95	267.23	6.67	-42.28
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624596	1	30	-1.0	-48.99	267.09	6.69	-42.30
CN(C(=O)C1C2CCC(O2)C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624597	0	31	-1.0	-57.40	252.41	4.82	-52.58
CN(C(=O)C1C2CCC(O2)C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624597	1	31	-1.0	-57.48	252.27	4.82	-52.66
CN(C(=O)C1=CN(CC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004624598	0	26	-1.0	-49.50	243.80	4.07	-45.43
CN(C(=O)C1=CN(CC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004624598	1	26	-1.0	-49.43	243.94	4.04	-45.39
CC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004624599	0	33	-1.0	-48.84	277.56	4.68	-44.16
CC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004624599	1	33	-1.0	-48.80	277.71	4.67	-44.13
CC(=O)NC1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624600	0	33	-1.0	-57.93	278.09	4.52	-53.41
CC(=O)NC1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624600	1	33	-1.0	-57.88	278.23	4.50	-53.38
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004624601	0	32	-1.0	-46.72	276.78	7.26	-39.46
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004624601	1	32	-1.0	-46.66	276.93	7.27	-39.39
CC1C(=O)CCC(C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004624602	0	37	-1.0	-48.09	271.34	5.71	-42.38
CC1C(=O)CCC(C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004624602	1	37	-1.0	-48.18	271.22	5.74	-42.44
CCCN1C(C(=O)N(C)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004624603	0	36	-1.0	-46.99	294.53	8.15	-38.84
CCCN1C(C(=O)N(C)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004624603	1	36	-1.0	-46.94	294.68	8.14	-38.80
CN(C(=O)CC1CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL250004624604	0	38	-1.0	-49.15	295.19	5.12	-44.03
CN(C(=O)CC1CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL250004624604	1	38	-1.0	-49.18	295.06	5.13	-44.05
CN(C(=O)C1=CNN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL250004624605	0	27	-1.0	-50.09	256.18	3.99	-46.10
CN(C(=O)C1=CNN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL250004624605	1	27	-1.0	-50.11	256.29	3.98	-46.13
CC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)C=C1C	REAL250004624606	0	36	-1.0	-48.04	301.72	6.79	-41.25
CC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)C=C1C	REAL250004624606	1	36	-1.0	-47.98	301.87	6.78	-41.20
COC1C2CC3CC1CC(C(=O)N(C)C1=N[N-]N=N1)(C3)C2	REAL250004624607	0	41	-1.0	-33.67	284.75	5.69	-27.98
COC1C2CC3CC1CC(C(=O)N(C)C1=NN=N[N-]1)(C3)C2	REAL250004624607	1	41	-1.0	-33.69	284.63	5.72	-27.97
CN(C(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004624608	0	33	-1.0	-57.85	288.69	4.07	-53.78
CN(C(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004624608	1	33	-1.0	-57.73	288.82	4.04	-53.69
CC1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004624609	0	36	-1.0	-52.04	307.14	8.27	-43.77
CC1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004624609	1	36	-1.0	-51.98	307.28	8.26	-43.72
CCCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004624610	0	32	-1.0	-44.81	279.92	7.49	-37.32
CCCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004624610	1	32	-1.0	-44.71	280.07	7.50	-37.21
CCCCCC(C)(CC)C(=O)N(C)C1=N[N-]N=N1	REAL250004624611	0	40	-1.0	-31.38	290.57	6.85	-24.53
CCCCCC(C)(CC)C(=O)N(C)C1=NN=N[N-]1	REAL250004624611	1	40	-1.0	-31.40	290.43	6.84	-24.56
CN(C(=O)C1=CNN=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004624612	0	30	-1.0	-56.10	261.74	2.79	-53.31
CN(C(=O)C1=CNN=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004624612	1	30	-1.0	-56.01	261.88	2.76	-53.25
CN(C(=O)C1=CNC(=O)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004624613	0	29	-1.0	-46.96	259.76	4.26	-42.70
CN(C(=O)C1=CNC(=O)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004624613	1	29	-1.0	-46.86	259.90	4.25	-42.61
CN(CC(=O)N(C)C1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004624614	0	34	-1.0	-56.07	283.92	0.00	-56.07
CN(CC(=O)N(C)C1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004624614	1	34	-1.0	-56.17	283.79	0.02	-56.15
COC1=CC=CC(CC(O)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624615	0	34	-1.0	-37.17	280.19	3.87	-33.30
COC1=CC=CC(CC(O)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624615	1	34	-1.0	-37.23	280.15	3.89	-33.34
CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004624616	0	37	-1.0	-62.05	298.96	5.19	-56.86
CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004624616	1	37	-1.0	-62.11	298.82	5.19	-56.92
CN(C(=O)C1CCCC(C(N)=O)C1)C1=N[N-]N=N1	REAL250004624617	0	33	-1.0	-38.26	262.10	2.28	-35.98
CN(C(=O)C1CCCC(C(N)=O)C1)C1=NN=N[N-]1	REAL250004624617	1	33	-1.0	-38.26	261.96	2.30	-35.96
CN(C(=O)CCCC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004624618	0	33	-1.0	-52.80	290.01	4.79	-48.01
CN(C(=O)CCCC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004624618	1	33	-1.0	-52.92	289.87	4.81	-48.11
CC1=CC=C(Br)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624619	0	25	-1.0	-48.37	245.95	4.28	-44.09
CC1=CC=C(Br)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624619	1	25	-1.0	-48.27	246.09	4.28	-43.99
COC(=O)C1=CC(O)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624620	0	30	-1.0	-51.96	268.83	2.72	-49.24
COC(=O)C1=CC(O)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624620	1	30	-1.0	-51.90	268.96	2.72	-49.18
CN(C(=O)C1=NOC2=C1CCCCC2)C1=N[N-]N=N1	REAL250004624621	0	32	-1.0	-46.01	256.22	6.02	-39.99
CN(C(=O)C1=NOC2=C1CCCCC2)C1=NN=N[N-]1	REAL250004624621	1	32	-1.0	-46.09	256.08	6.01	-40.08
CC(=O)[C@@H]1C[C@H](C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004624622	0	34	-1.0	-56.16	268.35	5.69	-50.47
CC(=O)[C@@H]1C[C@H](C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004624622	1	34	-1.0	-56.25	268.22	5.72	-50.53
CN(C(=O)C1=CC(Cl)=NC=C1Cl)C1=NN=N[N-]1	REAL250004624623	0	22	-1.0	-41.92	230.13	4.09	-37.83
CN(C(=O)C1=CC(Cl)=NC=C1Cl)C1=N[N-]N=N1	REAL250004624623	1	22	-1.0	-41.88	230.28	4.09	-37.79
CN(C(=O)C1=NNN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624624	0	29	-1.0	-44.99	253.50	4.15	-40.84
CN(C(=O)C1=NNN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624624	1	29	-1.0	-44.85	253.67	4.13	-40.72
CN(C(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004624625	0	29	-1.0	-51.14	251.62	6.06	-45.08
CN(C(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004624625	1	29	-1.0	-51.08	251.76	6.04	-45.04
CN(C(=O)C1(CC2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004624626	0	33	-1.0	-57.31	282.46	7.65	-49.66
CN(C(=O)C1(CC2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004624626	1	33	-1.0	-57.40	282.32	7.68	-49.72
COC1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004624627	0	31	-1.0	-53.14	277.96	4.51	-48.63
COC1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004624627	1	31	-1.0	-53.05	278.10	4.50	-48.55
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004624628	0	36	-1.0	-48.22	276.00	7.50	-40.72
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004624628	1	36	-1.0	-48.16	276.13	7.47	-40.69
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004624629	0	32	-1.0	-36.26	266.20	6.54	-29.72
CN(C(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004624629	1	32	-1.0	-36.35	266.08	6.54	-29.81
COCCN1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624630	0	30	-1.0	-46.53	255.69	2.65	-43.88
COCCN1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624630	1	30	-1.0	-46.46	255.83	2.63	-43.83
CN(C(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=NN=N[N-]1	REAL250004624631	0	29	-1.0	-51.43	273.87	5.83	-45.60
CN(C(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=N[N-]N=N1	REAL250004624631	1	29	-1.0	-51.35	274.01	5.82	-45.53
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004624632	0	29	-1.0	-48.60	265.31	5.66	-42.94
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004624632	1	29	-1.0	-48.69	265.17	5.66	-43.03
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004624633	0	34	-1.0	-49.95	297.09	5.12	-44.83
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004624633	1	34	-1.0	-49.89	297.24	5.09	-44.80
CC1=CC2=C(C=C1C)C(C(=O)N(C)C1=N[N-]N=N1)CO2	REAL250004624634	0	34	-1.0	-50.89	278.21	6.02	-44.87
CC1=CC2=C(C=C1C)C(C(=O)N(C)C1=NN=N[N-]1)CO2	REAL250004624634	1	34	-1.0	-50.99	278.07	6.04	-44.95
CN(C(=O)C1=CC=C(OC(F)F)C=N1)C1=NN=N[N-]1	REAL250004624635	0	26	-1.0	-48.36	238.54	3.76	-44.60
CN(C(=O)C1=CC=C(OC(F)F)C=N1)C1=N[N-]N=N1	REAL250004624635	1	26	-1.0	-48.29	238.68	3.73	-44.56
CN(C(=O)C1=CC(O)=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004624636	0	27	-1.0	-51.92	248.60	3.03	-48.89
CN(C(=O)C1=CC(O)=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004624636	1	27	-1.0	-52.00	248.46	3.04	-48.96
COC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(=O)NC1=O	REAL250004624637	0	27	-1.0	-41.04	250.32	-0.69	-41.73
COC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(=O)NC1=O	REAL250004624637	1	27	-1.0	-40.97	250.47	-0.68	-41.65
CC1=CC=C(N2C=NN=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624638	0	32	-1.0	-56.49	279.86	8.80	-47.69
CC1=CC=C(N2C=NN=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624638	1	32	-1.0	-56.38	280.01	8.79	-47.59
CN(C(=O)CC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL250004624639	0	33	-1.0	-51.10	272.52	4.66	-46.44
CN(C(=O)CC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL250004624639	1	33	-1.0	-51.19	272.38	4.69	-46.50
CN(C(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NN=N[N-]1	REAL250004624640	0	29	-1.0	-43.13	261.49	5.62	-37.51
CN(C(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=N[N-]N=N1	REAL250004624640	1	29	-1.0	-43.07	261.63	5.60	-37.47
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N=C1C	REAL250004624641	0	33	-1.0	-43.61	278.99	4.94	-38.67
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N=C1C	REAL250004624641	1	33	-1.0	-43.56	279.13	4.94	-38.62
CN(C(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004624642	0	33	-1.0	-52.27	289.14	7.26	-45.01
CN(C(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004624642	1	33	-1.0	-52.19	289.28	7.24	-44.95
COCCN1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624643	0	30	-1.0	-49.87	262.85	3.30	-46.57
COCCN1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624643	1	30	-1.0	-49.83	262.99	3.29	-46.54
C=CCSC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624644	0	31	-1.0	-52.07	271.65	7.31	-44.76
C=CCSC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624644	1	31	-1.0	-52.02	271.79	7.30	-44.72
CN(C(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=N[N-]N=N1	REAL250004624645	0	33	-1.0	-52.35	285.62	7.82	-44.53
CN(C(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=NN=N[N-]1	REAL250004624645	1	33	-1.0	-52.44	285.48	7.85	-44.59
CN(C(=O)CCCCN1CCOCC1)C1=N[N-]N=N1	REAL250004624646	0	38	-1.0	-48.49	301.19	3.04	-45.45
CN(C(=O)CCCCN1CCOCC1)C1=NN=N[N-]1	REAL250004624646	1	38	-1.0	-48.55	301.05	3.06	-45.49
CN(C(=O)CC1=CC=CC=C1S(C)=O)C1=N[N-]N=N1	REAL250004624647	0	31	-1.0	-57.41	277.60	4.42	-52.99
CN(C(=O)CC1=CC=CC=C1S(C)=O)C1=NN=N[N-]1	REAL250004624647	1	31	-1.0	-57.48	277.46	4.46	-53.02
CSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004624648	0	29	-1.0	-63.33	272.43	6.98	-56.35
CSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004624648	1	29	-1.0	-63.23	272.57	6.97	-56.26
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004624649	0	26	-1.0	-44.37	247.38	5.99	-38.38
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004624649	1	26	-1.0	-44.44	247.24	5.98	-38.46
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004624650	0	34	-1.0	-49.96	287.02	7.38	-42.58
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004624650	1	34	-1.0	-49.85	287.19	7.38	-42.47
CN(C(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL250004624651	0	33	-1.0	-53.02	286.86	8.23	-44.79
CN(C(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL250004624651	1	33	-1.0	-53.14	286.69	8.23	-44.91
CN(C(=O)CC1=CC2=NNC=C2C=C1)C1=NN=N[N-]1	REAL250004624652	0	29	-1.0	-56.27	255.98	4.71	-51.56
CN(C(=O)CC1=CC2=NNC=C2C=C1)C1=N[N-]N=N1	REAL250004624652	1	29	-1.0	-56.15	256.12	4.68	-51.47
CN(C(=O)C1COCCN1C1CCCC1)C1=N[N-]N=N1	REAL250004624653	0	39	-1.0	-46.94	291.56	3.06	-43.88
CN(C(=O)C1COCCN1C1CCCC1)C1=NN=N[N-]1	REAL250004624653	1	39	-1.0	-47.05	291.43	3.09	-43.96
CN(C(=O)C1=CSC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004624654	0	22	-1.0	-44.84	230.74	3.97	-40.87
CN(C(=O)C1=CSC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004624654	1	22	-1.0	-44.74	230.89	3.96	-40.78
CN(C)C1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624655	0	37	-1.0	-47.29	303.79	7.19	-40.10
CN(C)C1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624655	1	37	-1.0	-47.36	303.65	7.22	-40.14
CN(C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004624656	0	25	-1.0	-39.60	230.67	4.44	-35.16
CN(C(=O)C1=CC([N+](=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004624656	1	25	-1.0	-39.53	230.81	4.42	-35.11
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624657	0	39	-1.0	-33.89	302.30	3.38	-30.51
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624657	1	39	-1.0	-33.91	302.16	3.39	-30.52
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004624658	0	36	-1.0	-49.53	297.10	8.05	-41.48
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004624658	1	36	-1.0	-49.42	297.24	8.02	-41.40
COC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004624659	0	30	-1.0	-45.32	267.75	5.48	-39.84
COC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004624659	1	30	-1.0	-45.23	267.89	5.44	-39.79
CCCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=N1	REAL250004624660	0	35	-1.0	-49.56	287.72	5.66	-43.90
CCCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=N1	REAL250004624660	1	35	-1.0	-49.67	287.58	5.68	-43.99
CN(C(=O)C1=C2C=CC=CC2=NN1C)C1=NN=N[N-]1	REAL250004624661	0	29	-1.0	-45.49	258.00	5.11	-40.38
CN(C(=O)C1=C2C=CC=CC2=NN1C)C1=N[N-]N=N1	REAL250004624661	1	29	-1.0	-45.40	258.15	5.10	-40.30
CC1=COC(C2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624662	0	33	-1.0	-52.38	287.56	7.52	-44.86
CC1=COC(C2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624662	1	33	-1.0	-52.28	287.70	7.51	-44.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(CC2CC2)=N1	REAL250004624663	0	32	-1.0	-42.99	274.37	3.77	-39.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(CC2CC2)=N1	REAL250004624663	1	32	-1.0	-43.10	274.23	3.79	-39.31
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624664	0	25	-1.0	-52.59	240.83	3.71	-48.88
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624664	1	25	-1.0	-52.63	240.96	3.70	-48.93
CN(C(=O)CCC1=NC=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004624665	0	37	-1.0	-47.06	309.75	4.23	-42.83
CN(C(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004624665	1	37	-1.0	-47.10	309.62	4.27	-42.83
CN(C(=O)C1=NNC2=C1CCCCC2)C1=NN=N[N-]1	REAL250004624666	0	33	-1.0	-50.23	259.46	4.89	-45.34
CN(C(=O)C1=NNC2=C1CCCCC2)C1=N[N-]N=N1	REAL250004624666	1	33	-1.0	-50.15	259.60	4.88	-45.27
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(CC2CC2)=N1	REAL250004624667	0	32	-1.0	-44.23	279.30	5.64	-38.59
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(CC2CC2)=N1	REAL250004624667	1	32	-1.0	-44.30	279.15	5.67	-38.63
CC1=C(C)C=C2C(C(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004624668	0	32	-1.0	-51.66	271.20	6.68	-44.98
CC1=C(C)C=C2C(C(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004624668	1	32	-1.0	-51.60	271.35	6.65	-44.95
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004624669	0	27	-1.0	-41.70	257.26	4.91	-36.79
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004624669	1	27	-1.0	-41.74	257.12	4.93	-36.81
COCC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624670	0	33	-1.0	-48.52	284.93	5.69	-42.83
COCC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624670	1	33	-1.0	-48.58	284.79	5.72	-42.86
C=CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004624671	0	33	-1.0	-48.57	277.31	7.56	-41.01
C=CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004624671	1	33	-1.0	-48.46	277.44	7.54	-40.92
COC1=NC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624672	0	29	-1.0	-49.89	260.83	1.19	-48.70
COC1=NC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624672	1	29	-1.0	-49.93	260.68	1.19	-48.74
CN(C(=O)CCC1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004624673	0	32	-1.0	-49.63	277.33	5.43	-44.20
CN(C(=O)CCC1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004624673	1	32	-1.0	-49.67	277.19	5.46	-44.21
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624674	0	30	-1.0	-48.53	275.38	-0.88	-49.41
CNS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624674	1	30	-1.0	-48.46	275.52	-0.90	-49.36
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004624675	0	26	-1.0	-48.12	244.34	5.01	-43.11
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004624675	1	26	-1.0	-48.22	244.20	5.04	-43.18
CCSCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004624676	0	29	-1.0	-45.52	269.22	5.79	-39.73
CCSCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004624676	1	29	-1.0	-45.56	269.09	5.80	-39.76
CN(C(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL250004624677	0	24	-1.0	-40.15	233.31	3.27	-36.88
CN(C(=O)C1=CN=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL250004624677	1	24	-1.0	-40.08	233.45	3.25	-36.83
CN(C)C1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624678	0	32	-1.0	-47.09	278.70	4.67	-42.42
CN(C)C1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624678	1	32	-1.0	-47.15	278.56	4.71	-42.44
CN(C(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL250004624679	0	36	-1.0	-57.12	291.41	7.95	-49.17
CN(C(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL250004624679	1	36	-1.0	-57.16	291.28	7.96	-49.20
CN(C(=O)C1=NOC(COC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004624680	0	35	-1.0	-45.00	292.86	4.86	-40.14
CN(C(=O)C1=NOC(COC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004624680	1	35	-1.0	-45.05	292.72	4.87	-40.18
C[C@H](OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624681	0	33	-1.0	-51.48	281.06	6.87	-44.61
C[C@H](OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624681	1	33	-1.0	-51.60	280.93	6.90	-44.70
CN(C(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NN=N[N-]1	REAL250004624682	0	31	-1.0	-53.15	274.53	6.44	-46.71
CN(C(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=N[N-]N=N1	REAL250004624682	1	31	-1.0	-53.06	274.67	6.44	-46.62
CN(C(=O)C1=CC(=O)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004624683	0	30	-1.0	-51.35	256.80	4.06	-47.29
CN(C(=O)C1=CC(=O)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004624683	1	30	-1.0	-51.25	256.94	4.07	-47.18
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004624684	0	25	-1.0	-42.26	235.15	4.17	-38.09
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004624684	1	25	-1.0	-42.20	235.29	4.18	-38.02
CN(C(=O)C1CCCN1C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL250004624685	0	30	-1.0	-55.04	267.36	3.98	-51.06
CN(C(=O)C1CCCN1C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL250004624685	1	30	-1.0	-55.13	267.23	4.02	-51.11
CN(C(=O)C1CC12CCS(=O)(=O)CC2)C1=N[N-]N=N1	REAL250004624686	0	33	-1.0	-57.31	279.33	2.79	-54.52
CN(C(=O)C1CC12CCS(=O)(=O)CC2)C1=NN=N[N-]1	REAL250004624686	1	33	-1.0	-57.38	279.19	2.80	-54.58
CN(C(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004624687	0	27	-1.0	-50.06	253.07	-1.99	-52.05
CN(C(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004624687	1	27	-1.0	-49.99	253.20	-2.01	-52.00
CC1=CC=C(C2=CNC=C2C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624689	0	31	-1.0	-57.66	282.98	6.47	-51.19
CC1=CC=C(C2=CNC=C2C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624689	1	31	-1.0	-57.62	283.13	6.44	-51.18
CCN1C=C(C2=NNC=C2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624690	0	33	-1.0	-56.07	283.27	3.67	-52.40
CCN1C=C(C2=NNC=C2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624690	1	33	-1.0	-55.96	283.41	3.65	-52.31
CN(C(=O)CCCCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004624691	0	38	-1.0	-49.83	322.17	9.19	-40.64
CN(C(=O)CCCCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004624691	1	38	-1.0	-49.93	322.04	9.22	-40.71
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1Cl	REAL250004624692	0	31	-1.0	-50.72	277.29	5.31	-45.41
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1Cl	REAL250004624692	1	31	-1.0	-50.69	277.44	5.31	-45.38
COC1=CC=C(F)C=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624693	0	30	-1.0	-49.24	264.58	5.39	-43.85
COC1=CC=C(F)C=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624693	1	30	-1.0	-49.33	264.45	5.43	-43.90
CN(C(=O)CCC(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004624694	0	30	-1.0	-49.07	267.97	4.96	-44.11
CN(C(=O)CCC(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004624694	1	30	-1.0	-49.12	267.84	4.99	-44.13
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624695	0	33	-1.0	-50.41	281.93	7.45	-42.96
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624695	1	33	-1.0	-50.31	282.07	7.43	-42.88
CN(C(=O)C12CC(C(F)(F)F)(C1)C2)C1=N[N-]N=N1	REAL250004624696	0	27	-1.0	-44.30	243.03	5.62	-38.68
CN(C(=O)C12CC(C(F)(F)F)(C1)C2)C1=NN=N[N-]1	REAL250004624696	1	27	-1.0	-44.36	242.90	5.64	-38.72
CN(C(=O)C1=CC=NC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004624698	0	27	-1.0	-48.30	237.06	3.50	-44.80
CN(C(=O)C1=CC=NC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004624698	1	27	-1.0	-48.29	237.20	3.51	-44.78
CN(C(=O)C1=C(F)C=CC(F)=C1F)C1=N[N-]N=N1	REAL250004624699	0	23	-1.0	-51.47	228.02	5.27	-46.20
CN(C(=O)C1=C(F)C=CC(F)=C1F)C1=NN=N[N-]1	REAL250004624699	1	23	-1.0	-51.52	227.88	5.28	-46.24
CN(C(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=NN=N[N-]1	REAL250004624700	0	29	-1.0	-48.16	263.68	4.77	-43.39
CN(C(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=N[N-]N=N1	REAL250004624700	1	29	-1.0	-48.03	263.82	4.75	-43.28
CN(C(=O)CCC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004624701	0	34	-1.0	-48.38	289.03	7.16	-41.22
CN(C(=O)CCC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004624701	1	34	-1.0	-48.34	289.16	7.12	-41.22
COC(=O)CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624702	0	32	-1.0	-54.13	279.93	6.35	-47.78
COC(=O)CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624702	1	32	-1.0	-54.07	280.07	6.37	-47.70
CN(C(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL250004624703	0	29	-1.0	-51.59	258.07	5.79	-45.80
CN(C(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL250004624703	1	29	-1.0	-51.56	258.21	5.79	-45.77
CC(NC(=O)CC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624704	0	38	-1.0	-43.03	296.66	3.90	-39.13
CC(NC(=O)CC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624704	1	38	-1.0	-43.09	296.52	3.92	-39.17
CCOC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004624705	0	37	-1.0	-48.87	310.24	7.45	-41.42
CCOC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004624705	1	37	-1.0	-48.91	310.09	7.45	-41.46
CN(C(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004624706	0	30	-1.0	-46.78	284.73	5.45	-41.33
CN(C(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004624706	1	30	-1.0	-46.78	284.59	5.47	-41.31
CC1=NC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624707	0	24	-1.0	-43.13	232.75	4.54	-38.59
CC1=NC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624707	1	24	-1.0	-43.16	232.62	4.56	-38.60
CN(C(=O)C1=COC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004624708	0	35	-1.0	-44.55	287.18	4.85	-39.70
CN(C(=O)C1=COC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004624708	1	35	-1.0	-44.63	287.03	4.88	-39.75
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=NN=N[N-]1	REAL250004624709	0	27	-1.0	-44.98	244.27	3.69	-41.29
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=N[N-]N=N1	REAL250004624709	1	27	-1.0	-44.90	244.41	3.67	-41.23
CN(C(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004624710	0	30	-1.0	-44.36	275.16	3.89	-40.47
CN(C(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004624710	1	30	-1.0	-44.44	275.02	3.91	-40.53
CN(C(=O)CNC(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004624711	0	29	-1.0	-44.60	259.26	2.00	-42.60
CN(C(=O)CNC(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004624711	1	29	-1.0	-44.52	259.39	1.98	-42.54
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624712	0	33	-1.0	-56.42	288.61	5.37	-51.05
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624712	1	33	-1.0	-56.29	288.75	5.36	-50.93
CN(C(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL250004624713	0	24	-1.0	-46.17	238.33	5.70	-40.47
CN(C(=O)C1=CC=C(C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL250004624713	1	24	-1.0	-46.07	238.47	5.71	-40.36
CN(C(=O)C1=NC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004624714	0	22	-1.0	-51.68	220.12	4.79	-46.89
CN(C(=O)C1=NC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004624714	1	22	-1.0	-51.61	220.26	4.79	-46.82
CN(C(=O)CNC(=O)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004624715	0	31	-1.0	-46.15	275.23	0.89	-45.26
CN(C(=O)CNC(=O)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004624715	1	31	-1.0	-46.21	275.10	0.91	-45.30
CN(C(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004624716	0	30	-1.0	-42.98	277.03	3.87	-39.11
CN(C(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004624716	1	30	-1.0	-43.09	276.90	3.90	-39.19
CN(C(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004624717	0	30	-1.0	-44.73	276.90	3.86	-40.87
CN(C(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004624717	1	30	-1.0	-44.81	276.76	3.89	-40.92
C=CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004624718	0	36	-1.0	-47.93	295.69	8.14	-39.79
C=CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004624718	1	36	-1.0	-47.88	295.83	8.11	-39.77
CN(C(=O)C1COCCN1CC(F)F)C1=N[N-]N=N1	REAL250004624719	0	32	-1.0	-45.08	250.45	1.05	-44.03
CN(C(=O)C1COCCN1CC(F)F)C1=NN=N[N-]1	REAL250004624719	1	32	-1.0	-45.13	250.31	1.06	-44.07
CN(C(=O)C1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL250004624720	0	32	-1.0	-47.65	263.72	4.77	-42.88
CN(C(=O)C1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL250004624720	1	32	-1.0	-47.14	263.84	4.77	-42.37
CN(C(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004624721	0	29	-1.0	-44.60	260.83	3.37	-41.23
CN(C(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004624721	1	29	-1.0	-44.48	260.97	3.36	-41.12
CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CN(C)C1=O	REAL250004624722	0	32	-1.0	-46.51	276.46	5.36	-41.15
CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CN(C)C1=O	REAL250004624722	1	32	-1.0	-46.49	276.59	5.36	-41.13
CN(C(=O)C1=CN2C(=S)NN=C2C=C1)C1=NN=N[N-]1	REAL250004624723	0	26	-1.0	-51.94	245.20	5.86	-46.08
CN(C(=O)C1=CN2C(=S)NN=C2C=C1)C1=N[N-]N=N1	REAL250004624723	1	26	-1.0	-51.86	245.35	5.86	-46.00
CN(C(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NN=N[N-]1	REAL250004624724	0	31	-1.0	-56.02	284.43	7.17	-48.85
CN(C(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=N[N-]N=N1	REAL250004624724	1	31	-1.0	-55.89	284.57	7.15	-48.74
CN(C(=O)CC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004624725	0	23	-1.0	-48.03	232.23	5.54	-42.49
CN(C(=O)CC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004624725	1	23	-1.0	-48.13	232.10	5.56	-42.57
CN(C(=O)C1=CC2=C(C=N1)CCCC2)C1=NN=N[N-]1	REAL250004624726	0	32	-1.0	-48.71	262.02	6.69	-42.02
CN(C(=O)C1=CC2=C(C=N1)CCCC2)C1=N[N-]N=N1	REAL250004624726	1	32	-1.0	-48.69	262.16	6.68	-42.01
CCC(C)(C)C1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624727	0	47	-1.0	-47.45	332.72	8.72	-38.73
CCC(C)(C)C1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624727	1	47	-1.0	-47.50	332.58	8.73	-38.77
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004624728	0	32	-1.0	-52.30	278.79	4.77	-47.53
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004624728	1	32	-1.0	-52.26	278.94	4.75	-47.51
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624729	0	33	-1.0	-57.24	278.97	3.71	-53.53
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624729	1	33	-1.0	-57.33	278.83	3.73	-53.60
COC1=COC(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004624730	0	26	-1.0	-48.41	234.90	3.34	-45.07
COC1=COC(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004624730	1	26	-1.0	-48.44	234.77	3.36	-45.08
CN(C(=O)C1=CC2=CC=NC=C2N=C1)C1=NN=N[N-]1	REAL250004624731	0	27	-1.0	-44.30	237.81	3.42	-40.88
CN(C(=O)C1=CC2=CC=NC=C2N=C1)C1=N[N-]N=N1	REAL250004624731	1	27	-1.0	-44.23	237.97	3.42	-40.81
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)C=CC2=C1	REAL250004624732	0	30	-1.0	-45.01	263.97	7.47	-37.54
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)C=CC2=C1	REAL250004624732	1	30	-1.0	-44.95	264.12	7.45	-37.50
CN(C(=O)C1=CN=C(C2OCCO2)S1)C1=N[N-]N=N1	REAL250004624733	0	28	-1.0	-46.48	256.74	1.64	-44.84
CN(C(=O)C1=CN=C(C2OCCO2)S1)C1=NN=N[N-]1	REAL250004624733	1	28	-1.0	-46.59	256.60	1.67	-44.92
CC(O)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624734	0	26	-1.0	-45.42	240.92	0.23	-45.19
CC(O)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624734	1	26	-1.0	-45.51	240.78	0.26	-45.25
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=N1	REAL250004624735	0	34	-1.0	-35.42	273.61	5.85	-29.57
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=N1	REAL250004624735	1	34	-1.0	-35.52	273.47	5.87	-29.65
CN(C(=O)C1=NN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004624736	0	30	-1.0	-43.07	267.70	4.23	-38.84
CN(C(=O)C1=NN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004624736	1	30	-1.0	-43.07	267.84	4.20	-38.87
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004624737	0	32	-1.0	-30.17	278.71	7.58	-22.59
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004624737	1	32	-1.0	-30.27	278.57	7.60	-22.67
CC1=CC=C2OC(C(=O)N(C)C3=N[N-]N=N3)CCC2=C1	REAL250004624738	0	34	-1.0	-51.31	278.33	7.38	-43.93
CC1=CC=C2OC(C(=O)N(C)C3=NN=N[N-]3)CCC2=C1	REAL250004624738	1	34	-1.0	-51.39	278.20	7.40	-43.99
CCN1N=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C21	REAL250004624739	0	34	-1.0	-45.82	288.29	5.63	-40.19
CCN1N=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C21	REAL250004624739	1	34	-1.0	-45.72	288.42	5.61	-40.11
CN(C(=O)C(C)(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624740	0	36	-1.0	-46.16	292.67	5.02	-41.14
CN(C(=O)C(C)(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624740	1	36	-1.0	-46.27	292.53	5.06	-41.21
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004624741	0	29	-1.0	-53.36	260.54	6.17	-47.19
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004624741	1	29	-1.0	-53.28	260.68	6.15	-47.13
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004624742	0	36	-1.0	-47.80	295.13	8.50	-39.30
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004624742	1	36	-1.0	-47.93	294.99	8.53	-39.40
CN(C(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=NN=N[N-]1	REAL250004624743	0	28	-1.0	-46.64	259.38	5.91	-40.73
CN(C(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=N[N-]N=N1	REAL250004624743	1	28	-1.0	-46.55	259.53	5.90	-40.65
COCCOC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004624744	0	33	-1.0	-47.25	282.77	2.63	-44.62
COCCOC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004624744	1	33	-1.0	-47.19	282.92	2.61	-44.58
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2N1	REAL250004624745	0	29	-1.0	-62.22	248.69	4.48	-57.74
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2N1	REAL250004624745	1	29	-1.0	-62.16	248.83	4.47	-57.69
CN(C(=O)C1=C2NC=CC(=O)N2N=C1)C1=NN=N[N-]1	REAL250004624746	0	26	-1.0	-51.69	236.17	2.76	-48.93
CN(C(=O)C1=C2NC=CC(=O)N2N=C1)C1=N[N-]N=N1	REAL250004624746	1	26	-1.0	-51.62	236.29	2.73	-48.89
CCOC(=O)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624747	0	33	-1.0	-48.03	290.24	6.84	-41.19
CCOC(=O)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624747	1	33	-1.0	-48.10	290.10	6.83	-41.27
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004624748	0	33	-1.0	-45.31	289.81	7.10	-38.21
CN(C(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004624748	1	33	-1.0	-45.23	289.95	7.10	-38.13
CN(C(=O)C1=C2N=NN(C)C2=NC=C1)C1=NN=N[N-]1	REAL250004624749	0	27	-1.0	-58.58	243.04	2.73	-55.85
CN(C(=O)C1=C2N=NN(C)C2=NC=C1)C1=N[N-]N=N1	REAL250004624749	1	27	-1.0	-58.48	243.17	2.73	-55.75
CN(C(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004624750	0	33	-1.0	-51.95	287.26	6.38	-45.57
CN(C(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004624750	1	33	-1.0	-52.03	287.12	6.39	-45.64
CN(C(=O)C1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL250004624751	0	34	-1.0	-48.28	263.96	3.29	-44.99
CN(C(=O)C1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL250004624751	1	34	-1.0	-48.37	263.82	3.32	-45.05
CN(C(=O)C1C2C3CC4C5CC(C2C35)C41)C1=N[N-]N=N1	REAL250004624752	0	36	-1.0	-48.95	260.05	7.34	-41.61
CN(C(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NN=N[N-]1	REAL250004624752	1	36	-1.0	-49.04	259.91	7.35	-41.69
CN(C(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624753	0	33	-1.0	-48.31	286.02	6.27	-42.04
CN(C(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624753	1	33	-1.0	-48.16	286.17	6.27	-41.89
CN(C(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624754	0	33	-1.0	-54.17	285.27	8.06	-46.11
CN(C(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624754	1	33	-1.0	-54.11	285.41	8.07	-46.04
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624755	0	34	-1.0	-56.88	292.87	6.33	-50.55
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624755	1	34	-1.0	-56.97	292.73	6.36	-50.61
CC1=C(F)C=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624756	0	26	-1.0	-46.29	249.63	6.11	-40.18
CC1=C(F)C=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624756	1	26	-1.0	-46.21	249.77	6.11	-40.10
CC(C)N1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004624757	0	31	-1.0	-47.66	256.84	3.27	-44.39
CC(C)N1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004624757	1	31	-1.0	-47.49	256.99	3.28	-44.21
COC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624758	0	30	-1.0	-55.65	261.68	4.74	-50.91
COC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624758	1	30	-1.0	-55.58	261.84	4.71	-50.87
CC(C)C(NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624759	0	41	-1.0	-42.72	312.38	4.53	-38.19
CC(C)C(NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624759	1	41	-1.0	-42.73	312.24	4.56	-38.17
CN(C(=O)C(C)(C)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624760	0	39	-1.0	-33.53	309.28	6.44	-27.09
CN(C(=O)C(C)(C)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624760	1	39	-1.0	-33.60	309.13	6.46	-27.14
CN(C(=O)C1=C(C2(O)CCOCC2)OC=C1)C1=N[N-]N=N1	REAL250004624761	0	35	-1.0	-45.26	282.42	2.06	-43.20
CN(C(=O)C1=C(C2(O)CCOCC2)OC=C1)C1=NN=N[N-]1	REAL250004624761	1	35	-1.0	-45.32	282.27	2.09	-43.23
CN(C(=O)C1(C(F)F)CCCCC1)C1=N[N-]N=N1	REAL250004624762	0	32	-1.0	-29.34	239.53	5.38	-23.96
CN(C(=O)C1(C(F)F)CCCCC1)C1=NN=N[N-]1	REAL250004624762	1	32	-1.0	-29.37	239.38	5.38	-23.99
CC1=C(C(=O)N(C)C2=NN=N[N-]2)CN2N=NN=C2N1C	REAL250004624763	0	31	-1.0	-44.71	262.16	4.87	-39.84
CC1=C(C(=O)N(C)C2=N[N-]N=N2)CN2N=NN=C2N1C	REAL250004624763	1	31	-1.0	-44.62	262.30	4.85	-39.77
CN(C(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004624764	0	28	-1.0	-50.25	250.28	3.08	-47.17
CN(C(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004624764	1	28	-1.0	-50.19	250.42	3.06	-47.13
CN(C(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004624765	0	34	-1.0	-56.28	293.42	6.59	-49.69
CN(C(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004624765	1	34	-1.0	-56.18	293.58	6.57	-49.61
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NN=N[N-]1	REAL250004624766	0	26	-1.0	-49.51	246.63	1.42	-48.09
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=N[N-]N=N1	REAL250004624766	1	26	-1.0	-49.47	246.76	1.40	-48.07
CN(C(=O)CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004624767	0	23	-1.0	-46.47	237.13	5.69	-40.78
CN(C(=O)CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004624767	1	23	-1.0	-46.59	237.00	5.73	-40.86
CCC(C)CCC(O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624768	0	38	-1.0	-51.08	300.82	4.81	-46.27
CCC(C)CCC(O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624768	1	38	-1.0	-51.16	300.69	4.84	-46.32
CN(C(=O)C1=CC(Cl)=CC(F)=C1N)C1=NN=N[N-]1	REAL250004624769	0	25	-1.0	-40.86	237.99	3.67	-37.19
CN(C(=O)C1=CC(Cl)=CC(F)=C1N)C1=N[N-]N=N1	REAL250004624769	1	25	-1.0	-40.80	238.14	3.66	-37.14
CCC(O)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004624770	0	33	-1.0	-44.63	280.51	4.68	-39.95
CCC(O)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004624770	1	33	-1.0	-44.67	280.38	4.70	-39.97
CCC1=NC2=CC=CC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004624771	0	37	-1.0	-47.72	307.09	7.14	-40.58
CCC1=NC2=CC=CC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004624771	1	37	-1.0	-47.61	307.23	7.15	-40.46
CN(C(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NN=N[N-]1	REAL250004624772	0	26	-1.0	-47.40	250.23	5.77	-41.63
CN(C(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=N[N-]N=N1	REAL250004624772	1	26	-1.0	-47.30	250.38	5.77	-41.53
CN(C(=O)C1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL250004624773	0	26	-1.0	-48.09	234.89	2.05	-46.04
CN(C(=O)C1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL250004624773	1	26	-1.0	-48.03	235.02	2.04	-45.99
CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004624774	0	31	-1.0	-43.54	264.50	5.20	-38.34
CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004624774	1	31	-1.0	-43.47	264.65	5.19	-38.28
CC1=CC=C2C(C(=O)N(C)C3=NN=N[N-]3)=CSC2=C1	REAL250004624775	0	29	-1.0	-50.18	256.58	6.95	-43.23
CC1=CC=C2C(C(=O)N(C)C3=N[N-]N=N3)=CSC2=C1	REAL250004624775	1	29	-1.0	-50.09	256.26	6.95	-43.14
CN(C(=O)CN1CCC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004624776	0	34	-1.0	-58.95	288.69	6.37	-52.58
CN(C(=O)CN1CCC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004624776	1	34	-1.0	-59.01	288.55	6.40	-52.61
CC1=C(Cl)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624777	0	26	-1.0	-46.23	236.34	6.00	-40.23
CC1=C(Cl)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624777	1	26	-1.0	-46.12	236.47	6.00	-40.12
CC1=CC(=O)N(CC(C)(O)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624778	0	36	-1.0	-49.93	293.61	3.84	-46.09
CC1=CC(=O)N(CC(C)(O)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624778	1	36	-1.0	-49.98	293.47	3.87	-46.11
CN(C(=O)C1=CC=NC(N)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004624779	0	26	-1.0	-55.41	239.14	3.23	-52.18
CN(C(=O)C1=CC=NC(N)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004624779	1	26	-1.0	-55.34	239.28	3.23	-52.11
CC(C)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004624781	0	33	-1.0	-46.69	272.46	4.18	-42.51
CC(C)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004624781	1	33	-1.0	-46.73	272.32	4.18	-42.55
CN(C(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004624782	0	34	-1.0	-56.71	283.69	5.61	-51.10
CN(C(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004624782	1	34	-1.0	-56.61	283.83	5.57	-51.04
CN(C(=O)C1=CNC=C1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004624783	0	31	-1.0	-58.73	272.64	6.59	-52.14
CN(C(=O)C1=CNC=C1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004624783	1	31	-1.0	-58.60	272.77	6.56	-52.04
CCCCCCCCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624784	0	49	-1.0	-46.61	376.80	10.45	-36.16
CCCCCCCCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624784	1	49	-1.0	-46.71	376.67	10.47	-36.24
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004624785	0	36	-1.0	-50.62	299.28	7.35	-43.27
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004624785	1	36	-1.0	-50.72	299.14	7.36	-43.36
CN(C(=O)C1=CC(O)=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004624786	0	27	-1.0	-47.30	250.84	3.44	-43.86
CN(C(=O)C1=CC(O)=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004624786	1	27	-1.0	-47.22	250.97	3.43	-43.79
CN(C(=O)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004624787	0	24	-1.0	-49.05	229.37	2.37	-46.68
CN(C(=O)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004624787	1	24	-1.0	-48.97	229.51	2.35	-46.62
CN(C(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL250004624788	0	25	-1.0	-46.19	241.23	3.92	-42.27
CN(C(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL250004624788	1	25	-1.0	-46.10	241.37	3.92	-42.18
CN(C(=O)C1=CC=C(NCC2CC2)N=C1)C1=N[N-]N=N1	REAL250004624789	0	34	-1.0	-47.65	285.69	5.17	-42.48
CN(C(=O)C1=CC=C(NCC2CC2)N=C1)C1=NN=N[N-]1	REAL250004624789	1	34	-1.0	-47.66	285.55	5.20	-42.46
CN(C(=O)C1CCCC2=NN(C)C=C21)C1=N[N-]N=N1	REAL250004624790	0	33	-1.0	-48.56	269.87	5.07	-43.49
CN(C(=O)C1CCCC2=NN(C)C=C21)C1=NN=N[N-]1	REAL250004624790	1	33	-1.0	-48.61	269.74	5.11	-43.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CC2)=N1	REAL250004624791	0	29	-1.0	-44.89	257.78	4.99	-39.90
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CC2)=N1	REAL250004624791	1	29	-1.0	-44.99	257.80	5.02	-39.97
CC1=NC2=C(CCCC2C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624792	0	32	-1.0	-53.87	274.54	5.48	-48.39
CC1=NC2=C(CCCC2C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624792	1	32	-1.0	-53.96	274.41	5.50	-48.46
CN(C(=O)CC1CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004624793	0	36	-1.0	-48.31	294.58	8.55	-39.76
CN(C(=O)CC1CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004624793	1	36	-1.0	-48.35	294.45	8.57	-39.78
CN(C(=O)CCCC1CCOCC1)C1=N[N-]N=N1	REAL250004624794	0	36	-1.0	-47.92	284.69	5.33	-42.59
CN(C(=O)CCCC1CCOCC1)C1=NN=N[N-]1	REAL250004624794	1	36	-1.0	-47.96	284.55	5.37	-42.59
CN(C(=O)C1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL250004624795	0	33	-1.0	-48.91	266.95	7.46	-41.45
CN(C(=O)C1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL250004624795	1	33	-1.0	-48.83	267.10	7.47	-41.36
CSC1=C(F)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624796	0	27	-1.0	-50.46	252.47	6.07	-44.39
CSC1=C(F)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624796	1	27	-1.0	-50.39	252.61	6.05	-44.34
CN(C(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL250004624797	0	36	-1.0	-52.22	300.36	6.74	-45.48
CN(C(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL250004624797	1	36	-1.0	-52.12	300.58	6.73	-45.39
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004624798	0	30	-1.0	-54.80	259.76	3.52	-51.28
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004624798	1	30	-1.0	-54.70	259.89	3.49	-51.21
CC1=NOC(C)=C1C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624799	0	34	-1.0	-44.06	263.67	4.87	-39.19
CC1=NOC(C)=C1C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624799	1	34	-1.0	-44.12	263.51	4.86	-39.26
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004624800	0	31	-1.0	-45.99	259.37	6.00	-39.99
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004624800	1	31	-1.0	-45.93	259.51	5.99	-39.94
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1O	REAL250004624801	0	35	-1.0	-53.01	299.34	2.97	-50.04
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1O	REAL250004624801	1	35	-1.0	-53.09	299.21	3.01	-50.08
CN(C(=O)C1=CC=NN1CC(F)F)C1=NN=N[N-]1	REAL250004624802	0	26	-1.0	-48.15	231.82	3.79	-44.36
CN(C(=O)C1=CC=NN1CC(F)F)C1=N[N-]N=N1	REAL250004624802	1	26	-1.0	-48.05	231.96	3.78	-44.27
CN(C(=O)C1CCC(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004624803	0	32	-1.0	-31.23	263.74	6.51	-24.72
CN(C(=O)C1CCC(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004624803	1	32	-1.0	-31.27	263.62	6.54	-24.73
CC(=O)NC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624804	0	33	-1.0	-49.48	282.79	5.05	-44.43
CC(=O)NC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624804	1	33	-1.0	-49.56	282.65	5.08	-44.48
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1CC1	REAL250004624805	0	34	-1.0	-48.36	280.48	6.38	-41.98
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1CC1	REAL250004624805	1	34	-1.0	-48.29	280.62	6.37	-41.92
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OCCO	REAL250004624806	0	35	-1.0	-51.48	295.01	1.97	-49.51
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OCCO	REAL250004624806	1	35	-1.0	-51.54	294.87	1.98	-49.56
CN(C(=O)C1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004624807	0	29	-1.0	-46.95	253.06	7.24	-39.71
CN(C(=O)C1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004624807	1	29	-1.0	-46.89	253.21	7.23	-39.66
CN(C(=O)C1=CN(C)N=C1C1=COC=C1)C1=NN=N[N-]1	REAL250004624808	0	30	-1.0	-52.64	260.89	4.37	-48.27
CN(C(=O)C1=CN(C)N=C1C1=COC=C1)C1=N[N-]N=N1	REAL250004624808	1	30	-1.0	-52.54	261.03	4.37	-48.17
CC(=O)N[C@H](CC1CCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624809	0	36	-1.0	-57.28	284.89	5.30	-51.98
CC(=O)N[C@H](CC1CCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624809	1	36	-1.0	-57.38	284.76	5.32	-52.06
CC1=CSC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624810	0	28	-1.0	-46.96	257.85	4.48	-42.48
CC1=CSC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624810	1	28	-1.0	-47.04	257.71	4.51	-42.53
CN(C(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL250004624811	0	29	-1.0	-49.95	258.88	5.01	-44.94
CN(C(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL250004624811	1	29	-1.0	-50.00	258.74	5.03	-44.97
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(N)(=O)=O)O1	REAL250004624812	0	28	-1.0	-49.04	257.99	-1.21	-50.25
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(N)(=O)=O)O1	REAL250004624812	1	28	-1.0	-49.12	257.85	-1.20	-50.32
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CN=C1	REAL250004624813	0	34	-1.0	-51.86	279.69	5.76	-46.10
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CN=C1	REAL250004624813	1	34	-1.0	-51.80	279.83	5.75	-46.05
CC1=CC(OCC(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004624814	0	32	-1.0	-51.19	282.96	7.04	-44.15
CC1=CC(OCC(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004624814	1	32	-1.0	-51.26	282.82	7.07	-44.19
CC1C(C(=O)N(C)C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004624815	0	33	-1.0	-48.07	271.15	7.85	-40.22
CC1C(C(=O)N(C)C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004624815	1	33	-1.0	-48.15	271.01	7.88	-40.27
CC1=CC=CN=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004624816	0	28	-1.0	-48.56	245.96	5.33	-43.23
CC1=CC=CN=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004624816	1	28	-1.0	-48.47	246.10	5.30	-43.17
CSC1=CC=CC(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624817	0	27	-1.0	-55.83	254.48	6.10	-49.73
CSC1=CC=CC(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624817	1	27	-1.0	-55.68	254.62	6.07	-49.61
CC(C)CC(=O)NC(CC(N)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624818	0	39	-1.0	-36.52	312.07	1.68	-34.84
CC(C)CC(=O)NC(CC(N)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624818	1	39	-1.0	-36.56	311.94	1.69	-34.87
CN(C(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004624819	0	38	-1.0	-50.01	322.72	10.47	-39.54
CN(C(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004624819	1	38	-1.0	-50.13	322.59	10.49	-39.64
CN(C(=O)CC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL250004624820	0	28	-1.0	-41.30	237.99	5.11	-36.19
CN(C(=O)CC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL250004624820	1	28	-1.0	-41.44	237.86	5.14	-36.30
COC(=O)[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624821	0	35	-1.0	-33.79	279.99	6.12	-27.67
COC(=O)[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624821	1	35	-1.0	-33.84	279.84	6.14	-27.70
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004624822	0	27	-1.0	-44.53	266.43	7.06	-37.47
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004624822	1	27	-1.0	-44.62	266.29	7.09	-37.53
CC1=NC(CN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)=NO1	REAL250004624823	0	30	-1.0	-50.68	276.39	1.26	-49.42
CC1=NC(CN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)=NO1	REAL250004624823	1	30	-1.0	-50.69	276.24	1.29	-49.40
CCSC1=NC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624824	0	28	-1.0	-50.29	253.95	4.49	-45.80
CCSC1=NC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624824	1	28	-1.0	-50.22	254.09	4.47	-45.75
CN(C(=O)C1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL250004624825	0	26	-1.0	-53.38	241.06	4.57	-48.81
CN(C(=O)C1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL250004624825	1	26	-1.0	-53.34	241.20	4.56	-48.78
CN(C(=O)CC1=CC=CN=C1Br)C1=NN=N[N-]1	REAL250004624826	0	25	-1.0	-50.53	242.49	4.60	-45.93
CN(C(=O)CC1=CC=CN=C1Br)C1=N[N-]N=N1	REAL250004624826	1	25	-1.0	-50.47	242.62	4.56	-45.91
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL250004624827	0	35	-1.0	-49.90	289.92	6.83	-43.07
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL250004624827	1	35	-1.0	-49.89	290.05	6.81	-43.08
CN(C(=O)C1=CN(C)C2=C(C=NN2C)C1=O)C1=NN=N[N-]1	REAL250004624828	0	32	-1.0	-59.74	273.55	4.82	-54.92
CN(C(=O)C1=CN(C)C2=C(C=NN2C)C1=O)C1=N[N-]N=N1	REAL250004624828	1	32	-1.0	-59.76	273.68	4.82	-54.94
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004624829	0	29	-1.0	-63.58	262.34	5.25	-58.33
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004624829	1	29	-1.0	-63.56	262.30	5.26	-58.30
CN(C(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004624830	0	30	-1.0	-59.24	261.26	6.69	-52.55
CN(C(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004624830	1	30	-1.0	-59.10	261.40	6.68	-52.42
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624831	0	34	-1.0	-46.96	286.07	6.41	-40.55
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624831	1	34	-1.0	-46.92	286.21	6.41	-40.51
CN(C(=O)C(C)(C)C1CCOCC1)C1=N[N-]N=N1	REAL250004624832	0	36	-1.0	-31.84	256.58	3.85	-27.99
CN(C(=O)C(C)(C)C1CCOCC1)C1=NN=N[N-]1	REAL250004624832	1	36	-1.0	-31.91	256.42	3.88	-28.03
CN(C(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL250004624833	0	29	-1.0	-52.22	265.52	5.55	-46.67
CN(C(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL250004624833	1	29	-1.0	-52.12	265.66	5.52	-46.60
CCC1=CSC(CC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004624834	0	28	-1.0	-49.83	257.60	4.44	-45.39
CCC1=CSC(CC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004624834	1	28	-1.0	-49.88	257.46	4.47	-45.41
CN(C(=O)C1CCC2=C(C1)N(C)N=C2)C1=N[N-]N=N1	REAL250004624835	0	33	-1.0	-47.38	265.61	5.00	-42.38
CN(C(=O)C1CCC2=C(C1)N(C)N=C2)C1=NN=N[N-]1	REAL250004624835	1	33	-1.0	-47.43	265.47	5.02	-42.41
CN(C(=O)CC1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL250004624836	0	31	-1.0	-59.31	282.07	4.57	-54.74
CN(C(=O)CC1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL250004624836	1	31	-1.0	-59.39	281.94	4.59	-54.80
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004624837	0	29	-1.0	-53.17	260.72	4.54	-48.63
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004624837	1	29	-1.0	-53.05	260.86	4.52	-48.53
CN(C(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004624838	0	30	-1.0	-46.29	264.11	7.35	-38.94
CN(C(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004624838	1	30	-1.0	-46.42	263.98	7.38	-39.04
CN(C(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL250004624839	0	33	-1.0	-53.54	286.40	8.19	-45.35
CN(C(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL250004624839	1	33	-1.0	-53.65	286.26	8.17	-45.48
CN(C(=O)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004624840	0	26	-1.0	-50.43	235.39	3.49	-46.94
CN(C(=O)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004624840	1	26	-1.0	-50.35	235.53	3.48	-46.87
CC1=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2O1	REAL250004624841	0	28	-1.0	-51.22	245.24	2.56	-48.66
CC1=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2O1	REAL250004624841	1	28	-1.0	-51.14	245.38	2.56	-48.58
CN(C(=O)C1=NC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL250004624842	0	26	-1.0	-52.99	236.28	3.89	-49.10
CN(C(=O)C1=NC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL250004624842	1	26	-1.0	-52.94	236.42	3.87	-49.07
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004624843	0	28	-1.0	-59.38	245.26	2.68	-56.70
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004624843	1	28	-1.0	-59.28	245.41	2.66	-56.62
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624844	0	32	-1.0	-66.96	284.94	6.30	-60.66
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624844	1	32	-1.0	-66.87	285.08	6.28	-60.59
CN(C(=O)C1=C2C(=CC=C1)N=CN2C)C1=NN=N[N-]1	REAL250004624845	0	29	-1.0	-48.06	247.06	6.14	-41.92
CN(C(=O)C1=C2C(=CC=C1)N=CN2C)C1=N[N-]N=N1	REAL250004624845	1	29	-1.0	-47.93	247.24	6.12	-41.81
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004624846	0	25	-1.0	-42.48	237.96	3.67	-38.81
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004624846	1	25	-1.0	-42.41	238.09	3.66	-38.75
CN(C(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=NN=N[N-]1	REAL250004624847	0	27	-1.0	-42.51	248.74	3.70	-38.81
CN(C(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=N[N-]N=N1	REAL250004624847	1	27	-1.0	-42.42	248.88	3.69	-38.73
CC(C(=O)N(C)C1=N[N-]N=N1)C(C)S(C)(=O)=O	REAL250004624848	0	31	-1.0	-42.79	250.35	1.37	-41.42
CC(C(=O)N(C)C1=NN=N[N-]1)C(C)S(C)(=O)=O	REAL250004624848	1	31	-1.0	-42.83	250.20	1.38	-41.45
CCOC1=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1	REAL250004624849	0	33	-1.0	-51.88	281.92	2.30	-49.58
CCOC1=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1	REAL250004624849	1	33	-1.0	-51.87	282.06	2.30	-49.57
CN(C(=O)C1=C(Br)OC=C1)C1=N[N-]N=N1	REAL250004624850	0	20	-1.0	-47.09	205.34	3.72	-43.37
CN(C(=O)C1=C(Br)OC=C1)C1=NN=N[N-]1	REAL250004624850	1	20	-1.0	-47.19	205.19	3.74	-43.45
CN(C(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NN=N[N-]1	REAL250004624851	0	30	-1.0	-44.44	281.79	6.61	-37.83
CN(C(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=N[N-]N=N1	REAL250004624851	1	30	-1.0	-44.36	281.93	6.59	-37.77
CN(C(=O)C1CCCN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624852	0	35	-1.0	-50.97	279.54	5.63	-45.34
CN(C(=O)C1CCCN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624852	1	35	-1.0	-51.11	279.41	5.65	-45.46
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1Cl	REAL250004624853	0	26	-1.0	-52.29	240.91	6.04	-46.25
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1Cl	REAL250004624853	1	26	-1.0	-52.22	241.06	6.05	-46.17
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004624854	0	36	-1.0	-55.80	309.44	7.48	-48.32
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004624854	1	36	-1.0	-55.90	309.30	7.50	-48.40
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL250004624855	0	36	-1.0	-35.56	295.59	8.82	-26.74
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL250004624855	1	36	-1.0	-35.64	295.47	8.85	-26.79
CN(C(=O)C1=CNN=C1C1=COC=C1)C1=NN=N[N-]1	REAL250004624856	0	27	-1.0	-50.92	240.26	3.08	-47.84
CN(C(=O)C1=CNN=C1C1=COC=C1)C1=N[N-]N=N1	REAL250004624856	1	27	-1.0	-50.83	240.41	3.06	-47.77
CN(C(=O)C1=CC2=NC=CN=C2C=C1F)C1=NN=N[N-]1	REAL250004624857	0	27	-1.0	-51.43	242.14	3.38	-48.05
CN(C(=O)C1=CC2=NC=CN=C2C=C1F)C1=N[N-]N=N1	REAL250004624857	1	27	-1.0	-51.36	242.29	3.39	-47.97
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC1CCCC1	REAL250004624858	0	38	-1.0	-46.17	306.21	5.94	-40.23
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC1CCCC1	REAL250004624858	1	38	-1.0	-46.26	306.07	5.97	-40.29
CN(C(=O)C1=CC=C(OC2CCOC2)C=C1)C1=N[N-]N=N1	REAL250004624859	0	35	-1.0	-48.36	288.98	4.60	-43.76
CN(C(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NN=N[N-]1	REAL250004624859	1	35	-1.0	-48.44	288.84	4.60	-43.84
CN(C(=O)C1CC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004624860	0	29	-1.0	-48.76	250.45	5.93	-42.83
CN(C(=O)C1CC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004624860	1	29	-1.0	-48.71	250.58	5.92	-42.79
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004624861	0	31	-1.0	-51.03	272.57	4.38	-46.65
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004624861	1	31	-1.0	-51.09	272.43	4.39	-46.70
CN(C(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=N[N-]N=N1	REAL250004624862	0	29	-1.0	-48.98	255.48	6.61	-42.37
CN(C(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NN=N[N-]1	REAL250004624862	1	29	-1.0	-49.08	255.34	6.63	-42.45
CC1=CC=CC(Cl)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004624863	0	29	-1.0	-47.58	261.00	6.89	-40.69
CC1=CC=CC(Cl)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004624863	1	29	-1.0	-47.67	260.87	6.93	-40.74
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CN=CN1C	REAL250004624864	0	34	-1.0	-42.56	263.34	3.55	-39.01
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CN=CN1C	REAL250004624864	1	34	-1.0	-42.65	263.18	3.56	-39.09
CCNC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624865	0	31	-1.0	-44.82	273.94	5.33	-39.49
CCNC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624865	1	31	-1.0	-44.77	274.09	5.33	-39.44
CN(C(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004624866	0	30	-1.0	-56.94	266.13	6.66	-50.28
CN(C(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004624866	1	30	-1.0	-56.84	266.28	6.65	-50.19
CN(C(=O)C1CCC(=O)C2=CC=CN21)C1=N[N-]N=N1	REAL250004624867	0	30	-1.0	-45.17	254.19	5.25	-39.92
CN(C(=O)C1CCC(=O)C2=CC=CN21)C1=NN=N[N-]1	REAL250004624867	1	30	-1.0	-45.23	254.03	5.27	-39.96
CN(C(=O)C1=CC=CC2=C1OCC2(C)C)C1=NN=N[N-]1	REAL250004624868	0	34	-1.0	-55.98	278.61	6.10	-49.88
CN(C(=O)C1=CC=CC2=C1OCC2(C)C)C1=N[N-]N=N1	REAL250004624868	1	34	-1.0	-55.90	278.76	6.09	-49.81
CN(C(=O)CC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004624869	0	26	-1.0	-48.67	258.97	6.83	-41.84
CN(C(=O)CC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004624869	1	26	-1.0	-48.72	258.83	6.87	-41.85
CN(C(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NN=N[N-]1	REAL250004624870	0	29	-1.0	-47.13	262.98	5.68	-41.45
CN(C(=O)C1=CC(C2CC2)=CN=C1Cl)C1=N[N-]N=N1	REAL250004624870	1	29	-1.0	-47.09	262.93	5.67	-41.42
CN(C(=O)CCC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL250004624871	0	33	-1.0	-56.09	277.25	3.51	-52.58
CN(C(=O)CCC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL250004624871	1	33	-1.0	-56.11	277.11	3.55	-52.56
CN(C(=O)C1(C2CCCCC2)CCCCC1)C1=N[N-]N=N1	REAL250004624872	0	45	-1.0	-54.09	300.10	8.25	-45.84
CN(C(=O)C1(C2CCCCC2)CCCCC1)C1=NN=N[N-]1	REAL250004624872	1	45	-1.0	-54.15	299.96	8.26	-45.89
CN(C(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004624873	0	32	-1.0	-57.77	280.24	6.84	-50.93
CN(C(=O)CN1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004624873	1	32	-1.0	-57.72	280.38	6.82	-50.90
CC1CCC(OCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624874	0	36	-1.0	-51.17	285.09	6.65	-44.52
CC1CCC(OCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624874	1	36	-1.0	-51.28	284.96	6.68	-44.60
CN(C(=O)CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004624875	0	30	-1.0	-53.11	264.40	2.76	-50.35
CN(C(=O)CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004624875	1	30	-1.0	-53.23	264.27	2.78	-50.45
CC1=CC=CC2=C1C(C)CC2CC(=O)N(C)C1=N[N-]N=N1	REAL250004624876	0	39	-1.0	-51.21	302.66	8.80	-42.41
CC1=CC=CC2=C1C(C)CC2CC(=O)N(C)C1=NN=N[N-]1	REAL250004624876	1	39	-1.0	-51.35	302.52	8.83	-42.52
CN(C(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004624877	0	34	-1.0	-58.05	291.50	7.92	-50.13
CN(C(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004624877	1	34	-1.0	-57.89	291.65	7.91	-49.98
CN(C(=O)CCOCC(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004624878	0	29	-1.0	-46.06	270.77	4.37	-41.69
CN(C(=O)CCOCC(F)(F)C(F)F)C1=NN=N[N-]1	REAL250004624878	1	29	-1.0	-46.18	270.63	4.40	-41.78
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624879	0	28	-1.0	-62.39	253.38	6.55	-55.84
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624879	1	28	-1.0	-62.32	253.52	6.55	-55.77
CN(C(=O)C(C)(C)N1CCOCC1)C1=N[N-]N=N1	REAL250004624880	0	35	-1.0	-47.66	259.74	3.51	-44.15
CN(C(=O)C(C)(C)N1CCOCC1)C1=NN=N[N-]1	REAL250004624880	1	35	-1.0	-47.69	259.60	3.51	-44.18
CN(C(=O)C(C)(C)C1CCC(O)CC1)C1=N[N-]N=N1	REAL250004624881	0	39	-1.0	-33.68	274.83	2.98	-30.70
CN(C(=O)C(C)(C)C1CCC(O)CC1)C1=NN=N[N-]1	REAL250004624881	1	39	-1.0	-33.70	274.67	2.99	-30.71
CN(C(=O)C1CCCC2=C(O)C=CC=C21)C1=N[N-]N=N1	REAL250004624882	0	34	-1.0	-48.30	276.40	4.66	-43.64
CN(C(=O)C1CCCC2=C(O)C=CC=C21)C1=NN=N[N-]1	REAL250004624882	1	34	-1.0	-48.39	276.27	4.68	-43.71
COCCOC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004624883	0	40	-1.0	-36.38	306.37	4.70	-31.68
COCCOC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004624883	1	40	-1.0	-36.42	306.21	4.72	-31.70
COC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C(F)C=C1	REAL250004624884	0	31	-1.0	-46.80	270.13	4.88	-41.92
COC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C(F)C=C1	REAL250004624884	1	31	-1.0	-46.72	270.28	4.86	-41.86
CN(C(=O)C(F)CC1CCCCC1)C1=N[N-]N=N1	REAL250004624885	0	35	-1.0	-45.05	275.22	6.89	-38.16
CN(C(=O)C(F)CC1CCCCC1)C1=NN=N[N-]1	REAL250004624885	1	35	-1.0	-45.09	275.09	6.92	-38.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2C)=NO1	REAL250004624886	0	35	-1.0	-47.02	298.40	7.75	-39.27
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2C)=NO1	REAL250004624886	1	35	-1.0	-46.94	298.54	7.72	-39.22
CC1=C(C(C)C)N=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624887	0	34	-1.0	-50.41	297.23	5.70	-44.71
CC1=C(C(C)C)N=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624887	1	34	-1.0	-50.50	297.10	5.74	-44.76
CN(C(=O)CC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL250004624888	0	29	-1.0	-54.30	255.98	4.71	-49.59
CN(C(=O)CC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL250004624888	1	29	-1.0	-54.17	256.12	4.68	-49.49
COC1CCCC(CC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004624889	0	36	-1.0	-46.43	282.15	5.24	-41.19
COC1CCCC(CC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624889	1	36	-1.0	-46.52	282.02	5.26	-41.26
CC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N1C	REAL250004624890	0	32	-1.0	-50.51	270.79	6.04	-44.47
CC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N1C	REAL250004624890	1	32	-1.0	-50.47	270.93	6.03	-44.44
CN(C(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NN=N[N-]1	REAL250004624891	0	33	-1.0	-52.53	278.17	6.85	-45.68
CN(C(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=N[N-]N=N1	REAL250004624891	1	33	-1.0	-52.46	278.31	6.85	-45.61
CN(C(=O)CC(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL250004624892	0	41	-1.0	-45.30	292.45	7.60	-37.70
CN(C(=O)CC(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL250004624892	1	41	-1.0	-45.36	292.32	7.62	-37.74
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624893	0	36	-1.0	-52.93	297.08	8.45	-44.48
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624893	1	36	-1.0	-53.05	296.95	8.48	-44.57
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624894	0	36	-1.0	-51.11	281.78	3.22	-47.89
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624894	1	36	-1.0	-51.16	281.65	3.24	-47.92
CC(C)CN1C=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004624895	0	39	-1.0	-54.72	320.18	8.96	-45.76
CC(C)CN1C=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004624895	1	39	-1.0	-54.56	320.66	8.95	-45.61
CN(C(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL250004624896	0	28	-1.0	-46.81	252.72	6.58	-40.23
CN(C(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL250004624896	1	28	-1.0	-46.72	252.87	6.56	-40.16
CN(C(=O)C1=C(C(F)(F)F)SC=N1)C1=NN=N[N-]1	REAL250004624897	0	22	-1.0	-51.33	231.48	3.28	-48.05
CN(C(=O)C1=C(C(F)(F)F)SC=N1)C1=N[N-]N=N1	REAL250004624897	1	22	-1.0	-51.23	231.63	3.26	-47.97
CN(C(=O)C1=CC=C2C=CCCC2=C1)C1=NN=N[N-]1	REAL250004624898	0	31	-1.0	-47.82	258.09	7.30	-40.52
CN(C(=O)C1=CC=C2C=CCCC2=C1)C1=N[N-]N=N1	REAL250004624898	1	31	-1.0	-47.72	258.30	7.31	-40.41
CC(C)CC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624899	0	35	-1.0	-49.54	273.72	7.50	-42.04
CC(C)CC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624899	1	35	-1.0	-49.47	273.85	7.49	-41.98
CN(C(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004624900	0	31	-1.0	-46.19	287.29	7.00	-39.19
CN(C(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004624900	1	31	-1.0	-46.26	287.16	7.02	-39.24
CN(C(=O)C1=NN(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004624901	0	36	-1.0	-48.94	289.47	6.64	-42.30
CN(C(=O)C1=NN(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004624901	1	36	-1.0	-48.87	289.61	6.63	-42.24
CN(C(=O)CCSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624902	0	33	-1.0	-45.81	295.96	8.14	-37.67
CN(C(=O)CCSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624902	1	33	-1.0	-45.84	295.82	8.17	-37.67
CN(C(=O)C1=C(F)C=CC(O)=C1F)C1=NN=N[N-]1	REAL250004624903	0	24	-1.0	-53.36	232.42	2.38	-50.98
CN(C(=O)C1=C(F)C=CC(O)=C1F)C1=N[N-]N=N1	REAL250004624903	1	24	-1.0	-53.30	232.56	2.36	-50.94
CN(C(=O)C(F)=CC1CCCCC1)C1=N[N-]N=N1	REAL250004624904	0	33	-1.0	-41.70	268.25	6.85	-34.85
CN(C(=O)C(F)=CC1CCCCC1)C1=NN=N[N-]1	REAL250004624904	1	33	-1.0	-41.79	268.10	6.87	-34.92
CC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C=O	REAL250004624905	0	31	-1.0	-52.94	263.05	5.84	-47.10
CC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C=O	REAL250004624905	1	31	-1.0	-52.86	263.18	5.83	-47.03
CCCOC1=NC(C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624906	0	35	-1.0	-52.45	295.03	4.83	-47.62
CCCOC1=NC(C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624906	1	35	-1.0	-52.33	295.17	4.83	-47.50
CCOC1=NC(C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624907	0	32	-1.0	-52.32	273.53	4.03	-48.29
CCOC1=NC(C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624907	1	32	-1.0	-52.26	273.67	4.03	-48.23
CN(C(=O)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL250004624908	0	22	-1.0	-49.93	215.53	4.84	-45.09
CN(C(=O)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL250004624908	1	22	-1.0	-49.86	215.66	4.83	-45.03
CN(C(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004624909	0	36	-1.0	-49.54	302.22	5.48	-44.06
CN(C(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004624909	1	36	-1.0	-49.62	302.08	5.50	-44.12
CN(C(=O)CC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004624910	0	29	-1.0	-51.08	264.03	6.90	-44.18
CN(C(=O)CC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004624910	1	29	-1.0	-51.16	263.89	6.93	-44.23
CN(C(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL250004624911	0	30	-1.0	-53.65	265.24	4.72	-48.93
CN(C(=O)C1CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL250004624911	1	30	-1.0	-53.57	265.37	4.70	-48.87
CN(C(=O)C1=CN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004624912	0	31	-1.0	-45.92	263.38	3.89	-42.03
CN(C(=O)C1=CN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004624912	1	31	-1.0	-45.83	263.52	3.86	-41.97
CN(C(=O)C1=NNC(Br)=C1)C1=N[N-]N=N1	REAL250004624914	0	20	-1.0	-44.42	206.92	2.54	-41.88
CN(C(=O)C1=NNC(Br)=C1)C1=NN=N[N-]1	REAL250004624914	1	20	-1.0	-44.48	206.78	2.56	-41.92
CC(C)N1CCOC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004624915	0	35	-1.0	-47.94	266.52	2.61	-45.33
CC(C)N1CCOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624915	1	35	-1.0	-48.01	266.39	2.63	-45.38
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004624916	0	29	-1.0	-43.94	257.28	6.71	-37.23
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004624916	1	29	-1.0	-43.88	257.42	6.69	-37.19
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004624917	0	35	-1.0	-45.99	306.86	7.74	-38.25
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004624917	1	35	-1.0	-45.95	307.00	7.72	-38.23
CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL250004624918	0	40	-1.0	-38.17	317.12	5.52	-32.65
CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL250004624918	1	40	-1.0	-38.19	316.99	5.53	-32.66
CN(C(=O)CC(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624919	0	33	-1.0	-49.14	284.59	7.58	-41.56
CN(C(=O)CC(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624919	1	33	-1.0	-49.24	284.45	7.61	-41.63
CN(C(=O)C1COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004624920	0	28	-1.0	-49.20	256.52	5.34	-43.86
CN(C(=O)C1COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004624920	1	28	-1.0	-49.26	256.38	5.36	-43.90
CN(C(=O)C1=CC=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624921	0	30	-1.0	-48.82	256.73	5.99	-42.83
CN(C(=O)C1=CC=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624921	1	30	-1.0	-48.76	256.88	5.97	-42.79
CN(C(=O)CCC(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004624922	0	31	-1.0	-49.03	276.49	4.47	-44.56
CN(C(=O)CCC(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004624922	1	31	-1.0	-49.04	276.36	4.50	-44.54
CN(C(=O)C1(S(C)(=O)=O)CCC1)C1=N[N-]N=N1	REAL250004624923	0	29	-1.0	-45.29	246.04	1.44	-43.85
CN(C(=O)C1(S(C)(=O)=O)CCC1)C1=NN=N[N-]1	REAL250004624923	1	29	-1.0	-45.36	245.90	1.46	-43.90
CN(C(=O)C1CCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004624924	0	31	-1.0	-48.57	260.02	2.81	-45.76
CN(C(=O)C1CCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004624924	1	31	-1.0	-48.64	259.89	2.83	-45.81
CN(C(=O)C1=CC=C(CO)C(F)=C1)C1=NN=N[N-]1	REAL250004624925	0	27	-1.0	-47.34	238.64	2.45	-44.89
CN(C(=O)C1=CC=C(CO)C(F)=C1)C1=N[N-]N=N1	REAL250004624925	1	27	-1.0	-47.28	238.78	2.45	-44.83
CCSCC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624927	0	33	-1.0	-49.58	287.06	7.67	-41.91
CCSCC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624927	1	33	-1.0	-49.47	287.21	7.67	-41.80
CN(C(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004624928	0	29	-1.0	-41.19	258.76	4.66	-36.53
CN(C(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004624928	1	29	-1.0	-41.08	258.92	4.63	-36.45
CN(C(=O)CCC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004624929	0	34	-1.0	-48.88	292.31	7.16	-41.72
CN(C(=O)CCC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004624929	1	34	-1.0	-48.84	292.44	7.13	-41.71
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004624930	0	30	-1.0	-49.09	263.64	3.92	-45.17
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004624930	1	30	-1.0	-48.99	263.78	3.91	-45.08
CN(C(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004624931	0	29	-1.0	-43.35	265.97	6.56	-36.79
CN(C(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004624931	1	29	-1.0	-43.35	265.83	6.57	-36.78
CN(C(=O)C(C#N)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624932	0	33	-1.0	-46.10	288.29	7.43	-38.67
CN(C(=O)C(C#N)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624932	1	33	-1.0	-46.12	288.15	7.45	-38.67
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624933	0	42	-1.0	-33.39	319.23	3.79	-29.60
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624933	1	42	-1.0	-33.44	319.08	3.82	-29.62
CCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004624934	0	36	-1.0	-49.29	300.12	6.87	-42.42
CCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004624934	1	36	-1.0	-49.18	300.26	6.85	-42.33
CN(C(=O)CCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004624935	0	34	-1.0	-44.73	280.23	5.80	-38.93
CN(C(=O)CCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004624935	1	34	-1.0	-44.79	280.10	5.84	-38.95
CC(CCC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004624936	0	42	-1.0	-47.13	337.62	4.63	-42.50
CC(CCC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004624936	1	42	-1.0	-47.19	337.49	4.66	-42.53
CCCOC1=CC(OC)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624937	0	37	-1.0	-52.68	306.03	5.84	-46.84
CCCOC1=CC(OC)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624937	1	37	-1.0	-52.62	306.17	5.82	-46.80
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC(C)C)=C1	REAL250004624938	0	37	-1.0	-52.61	301.66	5.91	-46.70
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC(C)C)=C1	REAL250004624938	1	37	-1.0	-52.52	301.81	5.89	-46.63
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004624939	0	32	-1.0	-42.84	271.08	7.12	-35.72
CN(C(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004624939	1	32	-1.0	-42.85	270.94	7.12	-35.73
CCOC(=O)C1(CC(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004624940	0	35	-1.0	-55.67	288.62	6.40	-49.27
CCOC(=O)C1(CC(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004624940	1	35	-1.0	-55.74	288.48	6.41	-49.33
CN(C(=O)C1=CC(O)=CC=C1Cl)C1=NN=N[N-]1	REAL250004624942	0	24	-1.0	-49.30	225.20	2.54	-46.76
CN(C(=O)C1=CC(O)=CC=C1Cl)C1=N[N-]N=N1	REAL250004624942	1	24	-1.0	-49.22	225.34	2.55	-46.67
COC(=CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624943	0	31	-1.0	-46.26	261.16	6.41	-39.85
COC(=CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624943	1	31	-1.0	-46.16	261.30	6.38	-39.78
CN(C(=O)CNC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL250004624944	0	32	-1.0	-57.81	271.97	1.39	-56.42
CN(C(=O)CNC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL250004624944	1	32	-1.0	-57.89	271.84	1.42	-56.47
CN(C(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004624945	0	36	-1.0	-54.74	304.86	8.65	-46.09
CN(C(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004624945	1	36	-1.0	-54.82	304.73	8.68	-46.14
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624946	0	29	-1.0	-47.48	261.44	5.46	-42.02
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624946	1	29	-1.0	-47.42	261.58	5.44	-41.98
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL250004624947	0	32	-1.0	-42.39	277.99	5.60	-36.79
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004624947	1	32	-1.0	-42.33	278.14	5.61	-36.72
CCOC1=NC=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624948	0	32	-1.0	-51.70	277.43	3.36	-48.34
CCOC1=NC=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624948	1	32	-1.0	-51.60	277.58	3.33	-48.27
CC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004624949	0	29	-1.0	-48.17	262.83	6.97	-41.20
CC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004624949	1	29	-1.0	-48.22	262.70	7.00	-41.22
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004624950	0	39	-1.0	-47.56	309.87	6.77	-40.79
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004624950	1	39	-1.0	-47.65	309.83	6.78	-40.87
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004624951	0	26	-1.0	-49.44	235.59	6.06	-43.38
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004624951	1	26	-1.0	-49.33	235.73	6.07	-43.26
CCN1N=NC2=C1CCC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004624952	0	35	-1.0	-42.15	280.88	4.88	-37.27
CCN1N=NC2=C1CCC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004624952	1	35	-1.0	-42.12	280.84	4.91	-37.21
CN(C(=O)C1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004624953	0	28	-1.0	-48.15	244.22	5.32	-42.83
CN(C(=O)C1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004624953	1	28	-1.0	-48.12	244.36	5.31	-42.81
CN(C(=O)C1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004624954	0	29	-1.0	-53.49	248.60	1.44	-52.05
CN(C(=O)C1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004624954	1	29	-1.0	-53.89	246.95	1.42	-52.47
CN(C(=O)C1=C(C(F)(F)F)OC=N1)C1=NN=N[N-]1	REAL250004624955	0	22	-1.0	-47.61	215.65	2.13	-45.48
CN(C(=O)C1=C(C(F)(F)F)OC=N1)C1=N[N-]N=N1	REAL250004624955	1	22	-1.0	-47.51	215.79	2.10	-45.41
CN(C(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NN=N[N-]1	REAL250004624956	0	35	-1.0	-48.07	285.09	7.07	-41.00
CN(C(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=N[N-]N=N1	REAL250004624956	1	35	-1.0	-48.01	285.23	7.08	-40.93
CN(C(=O)C1=CC=C2OC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004624957	0	26	-1.0	-47.18	234.80	2.43	-44.75
CN(C(=O)C1=CC=C2OC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004624957	1	26	-1.0	-47.12	234.95	2.43	-44.69
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004624958	0	34	-1.0	-48.68	292.18	4.38	-44.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004624958	1	34	-1.0	-48.72	292.02	4.41	-44.31
CN(C(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NN=N[N-]1	REAL250004624959	0	28	-1.0	-42.02	258.75	5.65	-36.37
CN(C(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=N[N-]N=N1	REAL250004624959	1	28	-1.0	-41.94	258.89	5.65	-36.29
CN(C(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL250004624960	0	31	-1.0	-51.53	281.16	7.28	-44.25
CN(C(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL250004624960	1	31	-1.0	-51.58	281.03	7.31	-44.27
CN(C(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004624961	0	33	-1.0	-49.40	279.93	7.09	-42.31
CN(C(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004624961	1	33	-1.0	-49.47	279.79	7.09	-42.38
CN(C(=O)C1=C(CC(N)=O)OC=C1)C1=NN=N[N-]1	REAL250004624962	0	27	-1.0	-52.98	239.04	0.63	-52.35
CN(C(=O)C1=C(CC(N)=O)OC=C1)C1=N[N-]N=N1	REAL250004624962	1	27	-1.0	-52.89	239.18	0.61	-52.28
CC(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004624963	0	39	-1.0	-51.96	308.92	3.24	-48.72
CC(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004624963	1	39	-1.0	-52.05	308.78	3.28	-48.77
CC(OC1=CC=C(C=O)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004624964	0	32	-1.0	-51.85	276.50	5.98	-45.87
CC(OC1=CC=C(C=O)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624964	1	32	-1.0	-51.93	276.36	6.00	-45.93
CN(C(=O)C1=CC=C2OC(=O)NC2=N1)C1=NN=N[N-]1	REAL250004624965	0	25	-1.0	-44.76	230.92	2.75	-42.01
CN(C(=O)C1=CC=C2OC(=O)NC2=N1)C1=N[N-]N=N1	REAL250004624965	1	25	-1.0	-44.69	231.07	2.74	-41.95
CC(C)C1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624966	0	35	-1.0	-52.18	292.36	7.38	-44.80
CC(C)C1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624966	1	35	-1.0	-52.05	292.51	7.35	-44.70
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004624967	0	35	-1.0	-57.79	271.39	4.60	-53.19
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004624967	1	35	-1.0	-57.89	271.25	4.60	-53.29
CC1=CN=C(COCC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004624968	0	29	-1.0	-57.49	261.75	1.88	-55.61
CC1=CN=C(COCC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004624968	1	29	-1.0	-57.53	261.61	1.90	-55.63
COCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624969	0	26	-1.0	-45.67	243.09	1.75	-43.92
COCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624969	1	26	-1.0	-45.80	242.94	1.77	-44.03
CN(C(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL250004624970	0	33	-1.0	-50.12	285.79	5.09	-45.03
CN(C(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL250004624970	1	33	-1.0	-50.06	285.93	5.09	-44.97
CN(C(=O)C1=CC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL250004624971	0	23	-1.0	-41.73	232.67	4.99	-36.74
CN(C(=O)C1=CC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL250004624971	1	23	-1.0	-41.82	232.52	5.01	-36.81
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004624972	0	31	-1.0	-44.95	265.12	3.79	-41.16
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004624972	1	31	-1.0	-45.08	264.98	3.81	-41.27
CN(C(=O)COC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004624973	0	31	-1.0	-52.82	271.59	3.18	-49.64
CN(C(=O)COC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004624973	1	31	-1.0	-52.89	271.46	3.20	-49.69
CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=N[N-]N=N1	REAL250004624974	0	30	-1.0	-48.70	257.93	-3.11	-51.81
CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=NN=N[N-]1	REAL250004624974	1	30	-1.0	-48.76	257.79	-3.07	-51.83
CN(C(=O)C1=C(C(F)(F)F)N=CS1)C1=NN=N[N-]1	REAL250004624975	0	22	-1.0	-47.89	232.09	3.27	-44.62
CN(C(=O)C1=C(C(F)(F)F)N=CS1)C1=N[N-]N=N1	REAL250004624975	1	22	-1.0	-47.85	232.23	3.25	-44.60
CN(C(=O)CCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL250004624976	0	33	-1.0	-60.58	291.08	0.33	-60.25
CN(C(=O)CCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL250004624976	1	33	-1.0	-60.67	290.94	0.36	-60.31
CN(C)S(=O)(=O)N(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004624977	0	32	-1.0	-45.27	277.94	0.69	-44.58
CN(C)S(=O)(=O)N(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004624977	1	32	-1.0	-45.33	277.81	0.72	-44.61
CN(C(=O)CCCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL250004624978	0	36	-1.0	-56.61	312.72	1.09	-55.52
CN(C(=O)CCCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL250004624978	1	36	-1.0	-56.67	312.59	1.13	-55.54
CCCC(C(=O)N(C)C1=N[N-]N=N1)S(N)(=O)=O	REAL250004624979	0	30	-1.0	-44.57	256.24	-0.31	-44.88
CCCC(C(=O)N(C)C1=NN=N[N-]1)S(N)(=O)=O	REAL250004624979	1	30	-1.0	-44.62	256.10	-0.28	-44.90
CN(C(=O)C1=CC=C2N=CN(C)C2=N1)C1=NN=N[N-]1	REAL250004624980	0	28	-1.0	-50.07	247.55	6.51	-43.56
CN(C(=O)C1=CC=C2N=CN(C)C2=N1)C1=N[N-]N=N1	REAL250004624980	1	28	-1.0	-50.00	247.69	6.48	-43.52
CN(C(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL250004624981	0	27	-1.0	-51.44	257.19	0.64	-50.80
CN(C(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL250004624981	1	27	-1.0	-51.41	257.33	0.64	-50.77
CN(C(=O)C1CCCN(CC(F)F)C1)C1=N[N-]N=N1	REAL250004624982	0	34	-1.0	-46.45	271.45	3.84	-42.61
CN(C(=O)C1CCCN(CC(F)F)C1)C1=NN=N[N-]1	REAL250004624982	1	34	-1.0	-46.53	271.31	3.87	-42.66
CC1=CC=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004624983	0	31	-1.0	-48.14	260.24	5.82	-42.32
CC1=CC=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004624983	1	31	-1.0	-48.07	260.38	5.81	-42.26
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NN=N[N-]1	REAL250004624984	0	32	-1.0	-44.93	278.68	5.90	-39.03
CN(C(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=N[N-]N=N1	REAL250004624984	1	32	-1.0	-44.87	278.82	5.89	-38.98
CN(C(=O)C=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004624985	0	27	-1.0	-47.25	251.62	6.59	-40.66
CN(C(=O)C=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004624985	1	27	-1.0	-47.33	251.47	6.60	-40.73
CCC1=CC=CC=C1OCCC(=O)N(C)C1=N[N-]N=N1	REAL250004624986	0	36	-1.0	-46.49	301.44	7.10	-39.39
CCC1=CC=CC=C1OCCC(=O)N(C)C1=NN=N[N-]1	REAL250004624986	1	36	-1.0	-46.55	301.30	7.13	-39.42
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1OC	REAL250004624987	0	34	-1.0	-47.82	280.80	4.94	-42.88
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1OC	REAL250004624987	1	34	-1.0	-47.69	280.95	4.91	-42.78
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)C=C1C	REAL250004624988	0	36	-1.0	-66.27	302.86	4.67	-61.60
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)C=C1C	REAL250004624988	1	36	-1.0	-66.38	302.73	4.69	-61.69
CC1=NC=C2CCC(C(=O)N(C)C3=N[N-]N=N3)CN21	REAL250004624989	0	33	-1.0	-46.54	264.91	5.64	-40.90
CC1=NC=C2CCC(C(=O)N(C)C3=NN=N[N-]3)CN21	REAL250004624989	1	33	-1.0	-46.60	264.77	5.67	-40.93
CN(C(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004624990	0	26	-1.0	-43.87	245.28	3.96	-39.91
CN(C(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004624990	1	26	-1.0	-43.81	245.42	3.95	-39.86
CC1=NN=C(COCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004624991	0	28	-1.0	-57.72	265.53	3.12	-54.60
CC1=NN=C(COCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004624991	1	28	-1.0	-57.77	265.40	3.15	-54.62
COC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL250004624992	0	34	-1.0	-55.76	283.45	6.13	-49.63
COC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL250004624992	1	34	-1.0	-55.84	283.31	6.16	-49.68
CCC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004624993	0	32	-1.0	-52.02	275.09	6.89	-45.13
CCC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004624993	1	32	-1.0	-51.94	275.23	6.86	-45.08
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1O	REAL250004624994	0	29	-1.0	-52.48	253.07	3.92	-48.56
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1O	REAL250004624994	1	29	-1.0	-52.46	253.21	3.94	-48.52
CC(CN1C=CC2=CC=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL250004624995	0	36	-1.0	-44.57	289.77	7.94	-36.63
CC(CN1C=CC2=CC=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL250004624995	1	36	-1.0	-44.63	289.63	7.97	-36.66
CN(C(=O)C(CO)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004624997	0	30	-1.0	-48.94	272.39	3.49	-45.45
CN(C(=O)C(CO)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004624997	1	30	-1.0	-49.04	272.26	3.52	-45.52
CC(C)OC1=NC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004624998	0	32	-1.0	-54.12	269.66	4.46	-49.66
CC(C)OC1=NC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004624998	1	32	-1.0	-54.00	269.80	4.46	-49.54
CN(C(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004624999	0	32	-1.0	-48.09	285.11	5.86	-42.23
CN(C(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004624999	1	32	-1.0	-47.97	285.25	5.84	-42.13
CC1=CSC(C(C)C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625000	0	28	-1.0	-34.47	248.20	4.31	-30.16
CC1=CSC(C(C)C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625000	1	28	-1.0	-34.55	248.06	4.33	-30.22
CN(C(=O)C1=CC(C#N)=CC=C1Cl)C1=NN=N[N-]1	REAL250004625001	0	24	-1.0	-47.71	235.02	5.79	-41.92
CN(C(=O)C1=CC(C#N)=CC=C1Cl)C1=N[N-]N=N1	REAL250004625001	1	24	-1.0	-47.62	235.16	5.79	-41.83
CC(C)CC1=CC=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625002	0	41	-1.0	-48.01	322.03	8.90	-39.11
CC(C)CC1=CC=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625002	1	41	-1.0	-48.12	321.89	8.93	-39.19
CN(C(=O)C1CCCC2CCCCC21)C1=N[N-]N=N1	REAL250004625003	0	39	-1.0	-47.21	283.23	7.50	-39.71
CN(C(=O)C1CCCC2CCCCC21)C1=NN=N[N-]1	REAL250004625003	1	39	-1.0	-47.28	283.09	7.53	-39.75
CN(C(=O)C1=NNC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625004	0	23	-1.0	-43.61	226.20	3.01	-40.60
CN(C(=O)C1=NNC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625004	1	23	-1.0	-43.69	226.06	3.03	-40.66
CN(CCC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004625005	0	39	-1.0	-49.26	316.01	5.31	-43.95
CN(CCC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004625005	1	39	-1.0	-49.31	315.88	5.35	-43.96
CN(C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL250004625006	0	20	-1.0	-48.75	209.39	4.52	-44.23
CN(C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL250004625006	1	20	-1.0	-48.83	209.24	4.53	-44.30
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004625007	0	33	-1.0	-51.13	286.03	6.11	-45.02
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004625007	1	33	-1.0	-51.19	285.89	6.15	-45.04
CN(C(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625008	0	36	-1.0	-56.44	299.01	7.16	-49.28
CN(C(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625008	1	36	-1.0	-56.55	298.87	7.19	-49.36
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625009	0	30	-1.0	-52.87	281.48	0.21	-52.66
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625009	1	30	-1.0	-52.83	281.62	0.20	-52.63
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=NN=N[N-]1	REAL250004625010	0	25	-1.0	-47.42	234.25	5.63	-41.79
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=N[N-]N=N1	REAL250004625010	1	25	-1.0	-47.35	234.39	5.63	-41.72
CN(C(=O)C1=C(Cl)C(Cl)=NS1)C1=NN=N[N-]1	REAL250004625011	0	19	-1.0	-41.03	218.27	3.47	-37.56
CN(C(=O)C1=C(Cl)C(Cl)=NS1)C1=N[N-]N=N1	REAL250004625011	1	19	-1.0	-40.96	218.41	3.44	-37.52
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004625012	0	31	-1.0	-48.69	278.25	5.35	-43.34
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004625012	1	31	-1.0	-48.59	278.40	5.33	-43.26
CN(C(=O)CC1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL250004625013	0	28	-1.0	-51.09	260.87	5.38	-45.71
CN(C(=O)CC1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL250004625013	1	28	-1.0	-50.98	261.01	5.35	-45.63
CN(C(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NN=N[N-]1	REAL250004625014	0	32	-1.0	-50.92	277.13	7.63	-43.29
CN(C(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=N[N-]N=N1	REAL250004625014	1	32	-1.0	-50.83	277.28	7.63	-43.20
CNC1=NC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004625015	0	29	-1.0	-55.69	259.93	4.56	-51.13
CNC1=NC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004625015	1	29	-1.0	-55.57	260.08	4.57	-51.00
CN(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004625016	0	36	-1.0	-48.19	299.63	6.19	-42.00
CN(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004625016	1	36	-1.0	-48.12	299.77	6.19	-41.93
CC1=CC(=O)C(C(=O)N(C)C2=NN=N[N-]2)=CN1C1CC1	REAL250004625017	0	33	-1.0	-66.89	281.04	6.20	-60.69
CC1=CC(=O)C(C(=O)N(C)C2=N[N-]N=N2)=CN1C1CC1	REAL250004625017	1	33	-1.0	-66.78	281.19	6.17	-60.61
COC(=O)CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CO1	REAL250004625018	0	29	-1.0	-51.87	257.22	4.59	-47.28
COC(=O)CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CO1	REAL250004625018	1	29	-1.0	-51.97	257.08	4.61	-47.36
CN(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004625019	0	33	-1.0	-45.64	273.89	2.39	-43.25
CN(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004625019	1	33	-1.0	-45.72	273.75	2.39	-43.33
CN(C(=O)C1=CN=C(C2CCCC2)N=C1N)C1=N[N-]N=N1	REAL250004625020	0	36	-1.0	-41.70	292.59	4.34	-37.36
CN(C(=O)C1=CN=C(C2CCCC2)N=C1N)C1=NN=N[N-]1	REAL250004625020	1	36	-1.0	-41.77	292.44	4.37	-37.40
CN(C(=O)CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004625021	0	29	-1.0	-51.67	257.65	6.36	-45.31
CN(C(=O)CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004625021	1	29	-1.0	-51.59	257.79	6.33	-45.26
CN(C(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004625022	0	36	-1.0	-51.07	307.76	5.29	-45.78
CN(C(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004625022	1	36	-1.0	-51.12	307.63	5.32	-45.80
CN(C(=O)COCC1=CC=NN1C)C1=N[N-]N=N1	REAL250004625023	0	30	-1.0	-56.15	265.17	4.02	-52.13
CN(C(=O)COCC1=CC=NN1C)C1=NN=N[N-]1	REAL250004625023	1	30	-1.0	-56.25	265.04	4.05	-52.20
CC1=CC2=C(C)C=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625024	0	34	-1.0	-58.84	284.22	6.74	-52.10
CC1=CC2=C(C)C=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625024	1	34	-1.0	-58.70	284.36	6.72	-51.98
CN(C(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL250004625025	0	31	-1.0	-45.07	281.86	6.66	-38.41
CN(C(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL250004625025	1	31	-1.0	-45.13	281.72	6.67	-38.46
CN(C(=O)C1CCC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625026	0	32	-1.0	-47.83	266.19	6.75	-41.08
CN(C(=O)C1CCC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625026	1	32	-1.0	-47.78	266.32	6.72	-41.06
CC1=CSC(CCCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625027	0	31	-1.0	-51.74	279.34	5.27	-46.47
CC1=CSC(CCCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625027	1	31	-1.0	-51.81	279.21	5.29	-46.52
CN(C(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625028	0	32	-1.0	-57.21	284.91	7.13	-50.08
CN(C(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625028	1	32	-1.0	-57.10	285.05	7.10	-50.00
CN(C(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=N[N-]N=N1	REAL250004625029	0	32	-1.0	-53.75	252.83	6.03	-47.72
CN(C(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=NN=N[N-]1	REAL250004625029	1	32	-1.0	-53.83	252.69	6.05	-47.78
CN(C(=O)C1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004625030	0	34	-1.0	-50.48	277.99	4.04	-46.44
CN(C(=O)C1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004625030	1	34	-1.0	-50.58	277.85	4.06	-46.52
CN(C(=O)C1COCCN1CC(F)(F)F)C1=N[N-]N=N1	REAL250004625031	0	32	-1.0	-42.88	261.49	1.41	-41.47
CN(C(=O)C1COCCN1CC(F)(F)F)C1=NN=N[N-]1	REAL250004625031	1	32	-1.0	-42.95	261.36	1.43	-41.52
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004625032	0	26	-1.0	-47.62	238.24	1.63	-45.99
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004625032	1	26	-1.0	-47.70	238.10	1.66	-46.04
CN(C(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004625033	0	32	-1.0	-63.64	278.15	3.69	-59.95
CN(C(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004625033	1	32	-1.0	-63.72	278.01	3.71	-60.01
CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL250004625034	0	32	-1.0	-38.88	262.48	2.17	-36.71
CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL250004625034	1	32	-1.0	-38.95	262.35	2.19	-36.76
CN(C(=O)C1(O)CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004625035	0	34	-1.0	-44.49	272.68	4.70	-39.79
CN(C(=O)C1(O)CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004625035	1	34	-1.0	-44.53	272.54	4.72	-39.81
CN(C(=O)C1=NNC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004625036	0	33	-1.0	-49.97	288.36	6.39	-43.58
CN(C(=O)C1=NNC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004625036	1	33	-1.0	-49.94	288.51	6.38	-43.56
CN(C(=O)C(NC(N)=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004625037	0	34	-1.0	-43.66	263.01	0.45	-43.21
CN(C(=O)C(NC(N)=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004625037	1	34	-1.0	-43.74	262.87	0.46	-43.28
CC(C)C1=NN=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625038	0	27	-1.0	-42.99	249.85	3.72	-39.27
CC(C)C1=NN=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625038	1	27	-1.0	-43.04	249.70	3.75	-39.29
CN(C(=O)CCCC1=NC=CS1)C1=N[N-]N=N1	REAL250004625039	0	28	-1.0	-51.41	257.55	4.68	-46.73
CN(C(=O)CCCC1=NC=CS1)C1=NN=N[N-]1	REAL250004625039	1	28	-1.0	-51.49	257.41	4.70	-46.79
CN(C(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004625040	0	29	-1.0	-54.47	268.14	2.46	-52.01
CN(C(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004625040	1	29	-1.0	-54.60	268.01	2.46	-52.14
CCC(C(=O)N(C)C1=N[N-]N=N1)N1CCOC(CC)C1	REAL250004625041	0	41	-1.0	-48.13	305.71	3.67	-44.46
CCC(C(=O)N(C)C1=NN=N[N-]1)N1CCOC(CC)C1	REAL250004625041	1	41	-1.0	-48.19	305.57	3.68	-44.51
CCCCCCCCC(O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004625042	0	47	-1.0	-45.82	372.92	6.74	-39.08
CCCCCCCCC(O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004625042	1	47	-1.0	-45.92	372.78	6.78	-39.14
COC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625043	0	36	-1.0	-42.65	282.66	2.34	-40.31
COC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625043	1	36	-1.0	-42.69	282.53	2.36	-40.33
CN(C(=O)CC1(C)CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004625044	0	26	-1.0	-48.98	251.16	5.99	-42.99
CN(C(=O)CC1(C)CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004625044	1	26	-1.0	-49.07	251.02	6.01	-43.06
COCC1=NN(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625045	0	30	-1.0	-52.38	259.34	2.35	-50.03
COCC1=NN(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625045	1	30	-1.0	-52.30	259.48	2.32	-49.98
CN(C(=O)C1=CC2=CC=NC=C2S1)C1=NN=N[N-]1	REAL250004625046	0	25	-1.0	-44.39	233.83	4.46	-39.93
CN(C(=O)C1=CC2=CC=NC=C2S1)C1=N[N-]N=N1	REAL250004625046	1	25	-1.0	-44.30	233.97	4.45	-39.85
CN(C(=O)C=CC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004625047	0	34	-1.0	-47.55	266.63	4.62	-42.93
CN(C(=O)C=CC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004625047	1	34	-1.0	-47.63	266.48	4.64	-42.99
CN(C(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=NN=N[N-]1	REAL250004625048	0	29	-1.0	-50.44	257.57	3.33	-47.11
CN(C(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=N[N-]N=N1	REAL250004625048	1	29	-1.0	-50.38	257.70	3.33	-47.05
CN(C(=O)C1=CC=C(C2OCCO2)C=C1)C1=N[N-]N=N1	REAL250004625049	0	32	-1.0	-48.51	270.53	4.56	-43.95
CN(C(=O)C1=CC=C(C2OCCO2)C=C1)C1=NN=N[N-]1	REAL250004625049	1	32	-1.0	-48.60	270.39	4.55	-44.05
CN(C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004625050	1	29	-1.0	-53.70	253.30	5.05	-48.65
CN(C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004625050	1	29	-1.0	-53.64	253.44	5.02	-48.62
CN(C(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004625051	0	30	-1.0	-64.48	269.93	6.53	-57.95
CN(C(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004625051	1	30	-1.0	-64.39	270.06	6.53	-57.86
CN(C(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=NN=N[N-]1	REAL250004625052	0	34	-1.0	-49.04	296.55	5.69	-43.35
CN(C(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=N[N-]N=N1	REAL250004625052	1	34	-1.0	-49.05	296.69	5.67	-43.38
CN(C(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL250004625053	0	30	-1.0	-44.18	259.92	6.85	-37.33
CN(C(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL250004625053	1	30	-1.0	-44.30	259.75	6.87	-37.43
CC1=CNC(CC(N)=O)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625054	0	31	-1.0	-59.89	275.77	1.06	-58.83
CC1=CNC(CC(N)=O)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625054	1	31	-1.0	-59.80	275.92	1.04	-58.76
CN(C(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL250004625055	0	32	-1.0	-52.21	276.16	4.80	-47.41
CN(C(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL250004625055	1	32	-1.0	-52.17	276.31	4.80	-47.37
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC=C1C(N)=O	REAL250004625056	0	29	-1.0	-48.81	250.47	1.64	-47.17
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC=C1C(N)=O	REAL250004625056	1	29	-1.0	-48.78	250.61	1.64	-47.14
CN(C(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL250004625057	0	33	-1.0	-49.22	295.92	8.27	-40.95
CN(C(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL250004625057	1	33	-1.0	-49.33	295.79	8.28	-41.05
CC1CC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2O1	REAL250004625058	0	31	-1.0	-56.35	257.38	6.14	-50.21
CC1CC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2O1	REAL250004625058	1	31	-1.0	-56.35	257.52	6.14	-50.21
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(C)C)=N1	REAL250004625059	0	34	-1.0	-47.30	280.76	5.79	-41.51
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(C)C)=N1	REAL250004625059	1	34	-1.0	-47.23	280.90	5.78	-41.45
CN(C(=O)C1=CC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004625060	0	25	-1.0	-46.98	233.95	4.35	-42.63
CN(C(=O)C1=CC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004625060	1	25	-1.0	-46.93	234.10	4.34	-42.59
CN(C(=O)C1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004625061	0	28	-1.0	-47.37	244.14	5.42	-41.95
CN(C(=O)C1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004625061	1	28	-1.0	-47.29	244.28	5.42	-41.87
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=C1CCC2	REAL250004625062	0	33	-1.0	-49.48	268.97	7.44	-42.04
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=C1CCC2	REAL250004625062	1	33	-1.0	-49.46	269.10	7.44	-42.02
CCC(CC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004625063	0	28	-1.0	-43.25	243.01	5.12	-38.13
CCC(CC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004625063	1	28	-1.0	-43.30	242.87	5.15	-38.15
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004625064	0	32	-1.0	-47.18	279.26	3.57	-43.61
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004625064	1	32	-1.0	-47.14	279.42	3.54	-43.60
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004625065	0	30	-1.0	-51.22	271.96	7.69	-43.53
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004625065	1	30	-1.0	-51.34	271.83	7.73	-43.61
CN(C(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL250004625066	0	32	-1.0	-55.08	280.74	5.08	-50.00
CN(C(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL250004625066	1	32	-1.0	-55.02	280.88	5.05	-49.97
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004625067	0	31	-1.0	-43.04	263.59	2.82	-40.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004625067	1	31	-1.0	-43.14	263.45	2.85	-40.29
CN(C(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NN=N[N-]1	REAL250004625068	0	29	-1.0	-46.52	254.80	6.43	-40.09
CN(C(=O)C1=CC=C(C(C)(F)F)C=C1)C1=N[N-]N=N1	REAL250004625068	1	29	-1.0	-46.45	254.94	6.43	-40.02
CC(C)CC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625069	0	40	-1.0	-32.27	290.92	7.08	-25.19
CC(C)CC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625069	1	40	-1.0	-32.31	290.78	7.10	-25.21
CN(C(=O)CC1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004625070	0	32	-1.0	-55.30	273.07	5.87	-49.43
CN(C(=O)CC1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004625070	1	32	-1.0	-55.43	272.93	5.89	-49.54
CN(C(=O)C1=CC=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004625071	0	26	-1.0	-48.40	241.10	2.36	-46.04
CN(C(=O)C1=CC=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004625071	1	26	-1.0	-48.34	241.24	2.35	-45.99
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL250004625072	0	40	-1.0	-55.99	316.41	4.97	-51.02
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL250004625072	1	40	-1.0	-56.09	316.27	5.00	-51.09
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004625073	0	29	-1.0	-51.19	267.26	5.85	-45.34
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004625073	1	29	-1.0	-51.13	267.40	5.86	-45.27
CN(C(=O)C1CC12CCSCC2)C1=N[N-]N=N1	REAL250004625074	0	31	-1.0	-48.29	260.65	6.45	-41.84
CN(C(=O)C1CC12CCSCC2)C1=NN=N[N-]1	REAL250004625074	1	31	-1.0	-48.37	260.51	6.47	-41.90
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004625075	0	28	-1.0	-45.94	256.24	4.25	-41.69
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004625075	1	28	-1.0	-45.61	245.74	3.95	-41.66
CC1=NC2=CC=NN2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625076	0	28	-1.0	-43.13	251.59	4.59	-38.54
CC1=NC2=CC=NN2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625076	1	28	-1.0	-43.08	251.72	4.58	-38.50
CN(C(=O)C1CC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004625077	0	30	-1.0	-45.64	263.25	7.64	-38.00
CN(C(=O)C1CC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004625077	1	30	-1.0	-45.72	263.11	7.65	-38.07
CC(=O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004625078	0	27	-1.0	-56.15	249.87	2.46	-53.69
CC(=O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004625078	1	27	-1.0	-56.18	249.74	2.48	-53.70
CN(C(=O)C1=C(Br)SC=C1)C1=N[N-]N=N1	REAL250004625079	0	20	-1.0	-47.70	213.05	4.59	-43.11
CN(C(=O)C1=C(Br)SC=C1)C1=NN=N[N-]1	REAL250004625079	1	20	-1.0	-47.78	212.92	4.62	-43.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004625080	0	29	-1.0	-43.83	262.03	4.69	-39.14
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004625080	1	29	-1.0	-43.91	261.89	4.72	-39.19
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC=C1Cl	REAL250004625081	0	30	-1.0	-48.75	275.40	5.81	-42.94
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC=C1Cl	REAL250004625081	1	30	-1.0	-48.83	275.27	5.85	-42.98
CN(C(=O)CC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL250004625082	0	27	-1.0	-50.81	247.11	3.19	-47.62
CN(C(=O)CC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL250004625082	1	27	-1.0	-50.93	246.97	3.22	-47.71
CN(C(=O)C1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL250004625083	0	26	-1.0	-40.32	241.72	3.73	-36.59
CN(C(=O)C1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL250004625083	1	26	-1.0	-40.25	241.87	3.72	-36.53
CC1=CC(F)=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004625084	0	29	-1.0	-48.32	262.00	6.72	-41.60
CC1=CC(F)=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004625084	1	29	-1.0	-48.39	261.86	6.75	-41.64
COC1COCCC1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625085	0	34	-1.0	-46.46	272.40	2.92	-43.54
COC1COCCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625085	1	34	-1.0	-46.56	272.26	2.95	-43.61
CN(C(=O)C1=CC=C(C(F)(F)F)N1)C1=N[N-]N=N1	REAL250004625086	0	24	-1.0	-42.35	228.89	4.30	-38.05
CN(C(=O)C1=CC=C(C(F)(F)F)N1)C1=NN=N[N-]1	REAL250004625086	1	24	-1.0	-42.43	228.74	4.31	-38.12
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004625087	0	26	-1.0	-49.03	248.17	6.44	-42.59
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004625087	1	26	-1.0	-49.10	248.03	6.44	-42.66
CN(C(=O)CCCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL250004625088	0	36	-1.0	-56.80	293.43	6.28	-50.52
CN(C(=O)CCCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL250004625088	1	36	-1.0	-56.83	293.29	6.31	-50.52
CN(C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625089	0	38	-1.0	-44.61	311.93	1.48	-43.13
CN(C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625089	1	38	-1.0	-44.73	311.80	1.50	-43.23
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)N2N=NN=C2N1C	REAL250004625090	0	34	-1.0	-44.88	278.30	5.66	-39.22
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)N2N=NN=C2N1C	REAL250004625090	1	34	-1.0	-44.84	278.44	5.66	-39.18
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004625091	0	32	-1.0	-46.13	272.62	7.27	-38.86
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004625091	1	32	-1.0	-46.07	272.77	7.26	-38.81
CC(OCCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625092	0	36	-1.0	-49.89	302.57	7.65	-42.24
CC(OCCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625092	1	36	-1.0	-49.95	302.43	7.67	-42.28
C=CCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625093	0	34	-1.0	-49.21	294.12	6.78	-42.43
C=CCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625093	1	34	-1.0	-49.27	293.98	6.81	-42.46
CN(C(=O)C1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004625094	0	33	-1.0	-49.23	263.38	7.42	-41.81
CN(C(=O)C1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004625094	1	33	-1.0	-49.17	263.51	7.41	-41.76
COC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625095	0	33	-1.0	-33.51	265.08	6.40	-27.11
COC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625095	1	33	-1.0	-33.53	264.91	6.43	-27.10
CN(C(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL250004625096	0	26	-1.0	-42.11	242.72	4.03	-38.08
CN(C(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL250004625096	1	26	-1.0	-42.18	242.58	4.02	-38.16
CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL250004625097	0	37	-1.0	-51.49	306.01	5.86	-45.63
CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL250004625097	1	37	-1.0	-51.40	306.15	5.85	-45.55
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625098	0	33	-1.0	-47.35	283.97	5.45	-41.90
CCOC(=O)C1=C(C)NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625098	1	33	-1.0	-47.29	284.11	5.45	-41.84
CC(=O)NC[C@H](CC(=O)N(C)C1=N[N-]N=N1)CC(C)C	REAL250004625099	0	41	-1.0	-49.70	318.26	5.60	-44.10
CC(=O)NC[C@H](CC(=O)N(C)C1=NN=N[N-]1)CC(C)C	REAL250004625099	1	41	-1.0	-49.83	318.12	5.62	-44.21
CCOCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625100	0	32	-1.0	-44.96	281.88	3.35	-41.61
CCOCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625100	1	32	-1.0	-45.04	281.73	3.35	-41.69
CN(C(=O)C1=COC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL250004625101	0	29	-1.0	-64.22	249.72	5.55	-58.67
CN(C(=O)C1=COC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL250004625101	1	29	-1.0	-64.20	249.86	5.53	-58.67
CC=CCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625102	0	37	-1.0	-50.31	315.83	7.65	-42.66
CC=CCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625102	1	37	-1.0	-50.42	315.70	7.68	-42.74
CN(C)C1=NC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625103	0	27	-1.0	-49.71	257.55	4.16	-45.55
CN(C)C1=NC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625103	1	27	-1.0	-49.66	257.70	4.15	-45.51
CN(C(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004625104	0	36	-1.0	-50.92	310.56	8.04	-42.88
CN(C(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004625104	1	36	-1.0	-50.84	310.70	8.03	-42.81
CN(C(=O)C1CCN(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004625105	0	35	-1.0	-48.07	281.80	5.55	-42.52
CN(C(=O)C1CCN(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004625105	1	35	-1.0	-48.17	281.67	5.57	-42.60
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625106	0	44	-1.0	-43.07	334.51	5.66	-37.41
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625106	1	44	-1.0	-43.08	334.38	5.68	-37.40
CC(C)CN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=N1	REAL250004625107	0	35	-1.0	-51.48	294.57	5.91	-45.57
CC(C)CN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=N1	REAL250004625107	1	35	-1.0	-51.60	294.42	5.93	-45.67
CN(C(=O)C1=CC=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL250004625108	0	26	-1.0	-45.90	237.77	3.91	-41.99
CN(C(=O)C1=CC=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL250004625108	1	26	-1.0	-45.83	237.91	3.88	-41.95
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625109	0	32	-1.0	-50.52	284.67	6.64	-43.88
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625109	1	32	-1.0	-50.58	284.53	6.66	-43.92
COC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=CC=C1O	REAL250004625110	0	31	-1.0	-49.71	270.13	3.09	-46.62
COC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=CC=C1O	REAL250004625110	1	31	-1.0	-49.81	269.99	3.13	-46.68
CC(OCC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625111	0	33	-1.0	-51.61	284.84	6.85	-44.76
CC(OCC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625111	1	33	-1.0	-51.69	284.70	6.88	-44.81
CN(C(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=N[N-]N=N1	REAL250004625112	0	26	-1.0	-46.61	245.27	2.74	-43.87
CN(C(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=NN=N[N-]1	REAL250004625112	1	26	-1.0	-46.68	245.19	2.76	-43.92
CN(C(=O)C(C#N)=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004625113	0	28	-1.0	-44.88	251.04	4.06	-40.82
CN(C(=O)C(C#N)=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004625113	1	28	-1.0	-44.76	251.18	4.04	-40.72
CN(C(=O)CCC1=C(O)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625114	0	36	-1.0	-48.27	305.99	6.31	-41.96
CN(C(=O)CCC1=C(O)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625114	1	36	-1.0	-48.30	305.86	6.34	-41.96
CN(C(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=N[N-]N=N1	REAL250004625115	0	24	-1.0	-41.66	235.75	5.38	-36.28
CN(C(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=NN=N[N-]1	REAL250004625115	1	24	-1.0	-41.76	235.61	5.37	-36.39
CN(C(=O)C1=CN(CC(O)CO)N=C1)C1=NN=N[N-]1	REAL250004625116	0	31	-1.0	-53.90	268.19	-1.88	-55.78
CN(C(=O)C1=CN(CC(O)CO)N=C1)C1=N[N-]N=N1	REAL250004625116	1	31	-1.0	-53.81	268.33	-1.91	-55.72
CN(C(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004625117	0	33	-1.0	-52.64	291.54	5.25	-47.39
CN(C(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004625117	1	33	-1.0	-52.57	291.68	5.24	-47.33
CN(C(=O)C1CCCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625118	0	36	-1.0	-48.96	280.34	7.95	-41.01
CN(C(=O)C1CCCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625118	1	36	-1.0	-49.04	280.21	7.97	-41.07
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)C1=N[N-]N=N1	REAL250004625119	0	36	-1.0	-43.77	282.20	3.06	-40.71
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)C1=NN=N[N-]1	REAL250004625119	1	36	-1.0	-43.90	282.06	3.07	-40.83
CN(C(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625120	0	39	-1.0	-49.25	292.55	8.52	-40.73
CN(C(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625120	1	39	-1.0	-49.39	292.42	8.54	-40.85
CC(=O)N[C@H](C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004625121	0	35	-1.0	-43.43	269.20	3.50	-39.93
CC(=O)N[C@H](C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004625121	1	35	-1.0	-43.51	269.07	3.52	-39.99
CC1=NSC(NC2CC2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625122	0	31	-1.0	-44.16	281.95	3.98	-40.18
CC1=NSC(NC2CC2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625122	1	31	-1.0	-44.05	282.09	3.96	-40.09
CCN1N=C(C)C(CC(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004625123	0	35	-1.0	-52.05	292.54	5.57	-46.48
CCN1N=C(C)C(CC(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004625123	1	35	-1.0	-52.11	292.41	5.61	-46.50
CN(C(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL250004625124	0	28	-1.0	-50.34	250.45	5.41	-44.93
CN(C(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL250004625124	1	28	-1.0	-50.25	250.59	5.40	-44.85
CC1=NN(C(C)C)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625125	0	38	-1.0	-52.28	313.37	6.28	-46.00
CC1=NN(C(C)C)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625125	1	38	-1.0	-52.36	313.23	6.31	-46.05
CC1=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004625126	0	30	-1.0	-47.29	265.61	7.16	-40.13
CC1=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004625126	1	30	-1.0	-47.36	265.47	7.17	-40.19
CN(C(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL250004625127	0	35	-1.0	-46.31	306.17	6.58	-39.73
CN(C(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL250004625127	1	35	-1.0	-46.22	306.31	6.55	-39.67
CN(C(=O)C1(C)CC1Br)C1=N[N-]N=N1	REAL250004625128	0	23	-1.0	-49.18	214.09	4.66	-44.52
CN(C(=O)C1(C)CC1Br)C1=NN=N[N-]1	REAL250004625128	1	23	-1.0	-49.28	213.95	4.67	-44.61
CN(C(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625129	0	38	-1.0	-52.03	289.54	8.30	-43.73
CN(C(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625129	1	38	-1.0	-51.93	289.68	8.28	-43.65
CN(C)C1=CC(C#N)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625130	0	32	-1.0	-46.50	276.32	5.71	-40.79
CN(C)C1=CC(C#N)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625130	1	32	-1.0	-46.43	276.46	5.72	-40.71
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004625131	0	32	-1.0	-48.91	280.44	4.75	-44.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004625131	1	32	-1.0	-48.82	280.58	4.73	-44.09
CN(C(=O)C1=NN(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004625133	0	31	-1.0	-53.35	262.50	6.15	-47.20
CN(C(=O)C1=NN(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004625133	1	31	-1.0	-53.28	262.64	6.14	-47.14
CN(C(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004625134	0	31	-1.0	-50.00	269.68	4.80	-45.20
CN(C(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004625134	1	31	-1.0	-49.97	269.82	4.78	-45.19
COC(=O)CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004625135	0	29	-1.0	-51.14	267.70	5.44	-45.70
COC(=O)CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004625135	1	29	-1.0	-51.22	267.56	5.47	-45.75
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004625136	0	25	-1.0	-39.47	245.55	3.77	-35.70
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004625136	1	25	-1.0	-39.55	245.41	3.80	-35.75
CN(C(=O)C1=CC=C(Cl)N=C1N)C1=NN=N[N-]1	REAL250004625137	0	24	-1.0	-42.50	227.91	2.60	-39.90
CN(C(=O)C1=CC=C(Cl)N=C1N)C1=N[N-]N=N1	REAL250004625137	1	24	-1.0	-42.43	228.05	2.57	-39.86
CN(C(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NN=N[N-]1	REAL250004625138	0	30	-1.0	-52.73	274.30	6.41	-46.32
CN(C(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=N[N-]N=N1	REAL250004625138	1	30	-1.0	-52.67	274.44	6.38	-46.29
CCC1=CC=C(C#CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625139	0	31	-1.0	-45.70	280.71	8.09	-37.61
CCC1=CC=C(C#CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625139	1	31	-1.0	-45.73	280.57	8.11	-37.62
CN(C(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NN=N[N-]1	REAL250004625140	0	26	-1.0	-40.73	255.35	4.42	-36.31
CN(C(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=N[N-]N=N1	REAL250004625140	1	26	-1.0	-40.64	255.49	4.41	-36.23
CC(C)C(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004625141	0	35	-1.0	-49.95	294.65	4.97	-44.98
CC(C)C(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004625141	1	35	-1.0	-49.91	294.79	4.97	-44.94
CN(C(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004625142	0	27	-1.0	-46.99	248.54	4.59	-42.40
CN(C(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004625142	1	27	-1.0	-47.07	248.40	4.59	-42.48
CC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625143	0	34	-1.0	-45.76	277.52	5.64	-40.12
CC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625143	1	34	-1.0	-45.73	277.67	5.63	-40.10
CCC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625144	0	37	-1.0	-45.94	299.00	6.38	-39.56
CCC1=NC(C(C)C)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625144	1	37	-1.0	-45.91	299.16	6.36	-39.55
CN(C(=O)C1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL250004625145	0	23	-1.0	-50.80	227.08	4.03	-46.77
CN(C(=O)C1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL250004625145	1	23	-1.0	-50.72	227.22	4.02	-46.70
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL250004625146	0	25	-1.0	-52.90	242.62	5.97	-46.93
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL250004625146	1	25	-1.0	-52.84	242.76	5.96	-46.88
CN(CC=CC(=O)N(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004625147	0	31	-1.0	-48.96	273.85	3.79	-45.17
CN(CC=CC(=O)N(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004625147	1	31	-1.0	-49.00	273.70	3.81	-45.19
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004625148	0	32	-1.0	-33.76	266.24	5.21	-28.55
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004625148	1	32	-1.0	-33.85	266.09	5.23	-28.62
CN(C(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NN=N[N-]1	REAL250004625149	0	34	-1.0	-47.30	286.29	4.41	-42.89
CN(C(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=N[N-]N=N1	REAL250004625149	1	34	-1.0	-47.19	286.42	4.42	-42.77
CN(C(=O)C1=CNN=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL250004625150	0	25	-1.0	-58.17	230.94	-2.61	-60.78
CN(C(=O)C1=CNN=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL250004625150	1	25	-1.0	-58.10	231.08	-2.65	-60.75
CN(C(=O)C1CC(O)(CCC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625151	0	42	-1.0	-51.69	318.79	6.04	-45.65
CN(C(=O)C1CC(O)(CCC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625151	1	42	-1.0	-51.78	318.65	6.05	-45.73
CN(C(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NN=N[N-]1	REAL250004625152	0	29	-1.0	-47.94	256.03	3.67	-44.27
CN(C(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=N[N-]N=N1	REAL250004625152	1	29	-1.0	-47.83	256.16	3.64	-44.19
CN(C(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=NN=N[N-]1	REAL250004625153	0	33	-1.0	-68.37	282.33	7.25	-61.12
CN(C(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=N[N-]N=N1	REAL250004625153	1	33	-1.0	-68.32	282.45	7.25	-61.07
CN(C(=O)C(OC1=CC=CC=C1)C(C)(C)O)C1=N[N-]N=N1	REAL250004625154	0	37	-1.0	-56.30	290.40	4.47	-51.83
CN(C(=O)C(OC1=CC=CC=C1)C(C)(C)O)C1=NN=N[N-]1	REAL250004625154	1	37	-1.0	-56.43	290.27	4.49	-51.94
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004625155	0	31	-1.0	-45.44	276.08	5.80	-39.64
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004625155	1	31	-1.0	-45.34	276.22	5.79	-39.55
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004625156	0	28	-1.0	-44.63	258.56	6.59	-38.04
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004625156	1	28	-1.0	-44.52	258.70	6.59	-37.93
CC(C(=O)N(C)C1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004625157	0	34	-1.0	-34.58	282.48	7.10	-27.48
CC(C(=O)N(C)C1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004625157	1	34	-1.0	-34.68	282.36	7.14	-27.54
CN(C(=O)C1=NOC(CN2CCCC2)=C1)C1=N[N-]N=N1	REAL250004625158	0	34	-1.0	-44.66	283.49	3.59	-41.07
CN(C(=O)C1=NOC(CN2CCCC2)=C1)C1=NN=N[N-]1	REAL250004625158	1	34	-1.0	-44.70	283.35	3.60	-41.10
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL250004625159	0	29	-1.0	-52.04	251.39	6.24	-45.80
CN(C(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL250004625159	1	29	-1.0	-51.98	251.54	6.24	-45.74
CN(C(=O)C(C)(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004625160	0	30	-1.0	-43.83	263.17	4.07	-39.76
CN(C(=O)C(C)(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004625160	1	30	-1.0	-43.92	263.03	4.10	-39.82
CN(C(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL250004625161	0	23	-1.0	-41.92	236.87	5.97	-35.95
CN(C(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL250004625161	1	23	-1.0	-41.95	236.73	5.97	-35.98
CN(C(=O)C1=C(Cl)C=NC=C1Cl)C1=NN=N[N-]1	REAL250004625162	0	22	-1.0	-43.99	235.77	4.23	-39.76
CN(C(=O)C1=C(Cl)C=NC=C1Cl)C1=N[N-]N=N1	REAL250004625162	1	22	-1.0	-43.88	235.90	4.22	-39.66
COC1=CC(Cl)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625163	0	27	-1.0	-45.65	249.21	4.73	-40.92
COC1=CC(Cl)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625163	1	27	-1.0	-45.63	249.35	4.75	-40.88
C#CCCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625164	0	32	-1.0	-47.98	280.17	6.47	-41.51
C#CCCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625164	1	32	-1.0	-47.92	280.32	6.46	-41.46
CN(C(=O)COC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004625165	0	27	-1.0	-47.97	261.36	6.42	-41.55
CN(C(=O)COC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004625165	1	27	-1.0	-48.05	261.23	6.44	-41.61
CN(C(=O)C1=C(Cl)SC(Cl)=N1)C1=NN=N[N-]1	REAL250004625166	0	19	-1.0	-43.56	220.30	4.11	-39.45
CN(C(=O)C1=C(Cl)SC(Cl)=N1)C1=N[N-]N=N1	REAL250004625166	1	19	-1.0	-43.46	220.44	4.09	-39.37
CN(C(=O)CCN1C(=O)CCNC1=S)C1=N[N-]N=N1	REAL250004625167	0	31	-1.0	-60.49	276.82	4.18	-56.31
CN(C(=O)CCN1C(=O)CCNC1=S)C1=NN=N[N-]1	REAL250004625167	1	31	-1.0	-60.61	276.69	4.20	-56.41
CN(C(=O)C1CCCN(S(N)(=O)=O)C1)C1=N[N-]N=N1	REAL250004625168	0	33	-1.0	-54.27	274.26	-1.02	-55.29
CN(C(=O)C1CCCN(S(N)(=O)=O)C1)C1=NN=N[N-]1	REAL250004625168	1	33	-1.0	-54.35	274.12	-1.00	-55.35
CN(C(=O)CCN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL250004625169	0	29	-1.0	-55.27	259.49	4.93	-50.34
CN(C(=O)CCN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL250004625169	1	29	-1.0	-55.30	259.35	4.97	-50.33
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625170	0	30	-1.0	-47.95	271.45	-1.35	-49.30
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625170	1	30	-1.0	-47.89	271.59	-1.34	-49.23
CN(C(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=NN=N[N-]1	REAL250004625171	0	29	-1.0	-48.51	258.45	3.63	-44.88
CN(C(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=N[N-]N=N1	REAL250004625171	1	29	-1.0	-48.44	258.59	3.62	-44.82
CN(C(=O)CN1N=NC2=C1CCCC2)C1=N[N-]N=N1	REAL250004625172	0	32	-1.0	-55.22	267.86	4.37	-50.85
CN(C(=O)CN1N=NC2=C1CCCC2)C1=NN=N[N-]1	REAL250004625172	1	32	-1.0	-55.24	267.73	4.39	-50.85
CN(C(=O)C1=CC=CC=C1NC(=O)C1CC1)C1=NN=N[N-]1	REAL250004625173	0	34	-1.0	-45.33	290.00	5.73	-39.60
CN(C(=O)C1=CC=CC=C1NC(=O)C1CC1)C1=N[N-]N=N1	REAL250004625173	1	34	-1.0	-46.79	291.71	5.72	-41.07
CC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004625174	0	25	-1.0	-55.39	237.25	4.56	-50.83
CC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004625174	1	25	-1.0	-55.48	237.11	4.59	-50.89
CN(C(=O)CC1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004625175	0	32	-1.0	-55.67	268.51	2.27	-53.40
CN(C(=O)CC1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004625175	1	32	-1.0	-55.79	268.38	2.29	-53.50
COCCOCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CN1	REAL250004625176	0	37	-1.0	-51.07	317.74	3.19	-47.88
COCCOCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CN1	REAL250004625176	1	37	-1.0	-51.22	317.56	3.21	-48.01
CC(OCC1=CC=NC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625177	0	32	-1.0	-52.93	273.27	5.01	-47.92
CC(OCC1=CC=NC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625177	1	32	-1.0	-52.95	273.14	5.04	-47.91
CN(C(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004625178	0	34	-1.0	-64.44	266.91	7.36	-57.08
CN(C(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004625178	1	34	-1.0	-64.50	266.78	7.37	-57.13
CN(C(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL250004625179	0	28	-1.0	-46.56	255.25	5.31	-41.25
CN(C(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL250004625179	1	28	-1.0	-46.46	255.41	5.32	-41.14
CN(C(=O)CC1=CNC2=CN=CC=C12)C1=NN=N[N-]1	REAL250004625180	0	29	-1.0	-52.91	256.36	4.30	-48.61
CN(C(=O)CC1=CNC2=CN=CC=C12)C1=N[N-]N=N1	REAL250004625180	1	29	-1.0	-52.83	256.50	4.26	-48.57
CN(C(=O)CCC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL250004625181	0	33	-1.0	-51.78	285.80	3.57	-48.21
CN(C(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL250004625181	1	33	-1.0	-51.85	285.67	3.59	-48.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004625182	0	30	-1.0	-46.46	274.45	7.23	-39.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004625182	1	30	-1.0	-46.36	274.59	7.23	-39.13
COCCOCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625183	0	37	-1.0	-50.56	312.31	4.86	-45.70
COCCOCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625183	1	37	-1.0	-50.64	312.16	4.86	-45.78
CN(C(=O)C1CCC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL250004625184	0	31	-1.0	-54.31	261.24	4.16	-50.15
CN(C(=O)C1CCC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL250004625184	1	31	-1.0	-54.24	261.38	4.14	-50.10
CN(C(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NN=N[N-]1	REAL250004625185	0	32	-1.0	-47.62	267.01	6.50	-41.12
CN(C(=O)C1=CC=C2C(=O)CCCC2=C1)C1=N[N-]N=N1	REAL250004625185	1	32	-1.0	-47.56	267.14	6.51	-41.05
CN(C(=O)C1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004625186	0	23	-1.0	-45.91	220.60	5.46	-40.45
CN(C(=O)C1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004625186	1	23	-1.0	-45.80	220.74	5.47	-40.33
CN(C(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL250004625187	0	29	-1.0	-47.33	255.66	4.33	-43.00
CN(C(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL250004625187	1	29	-1.0	-47.41	255.51	4.36	-43.05
CN(C(=O)C1=NOC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004625188	0	29	-1.0	-51.32	265.41	4.69	-46.63
CN(C(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004625188	1	29	-1.0	-51.37	265.27	4.72	-46.65
CC1=CC=C2SN=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004625189	0	28	-1.0	-48.28	254.17	6.33	-41.95
CC1=CC=C2SN=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004625189	1	28	-1.0	-48.22	254.32	6.31	-41.91
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625190	0	36	-1.0	-48.17	295.87	5.97	-42.20
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625190	1	36	-1.0	-48.24	295.73	6.01	-42.23
COC(=O)C12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)CC2	REAL250004625191	0	39	-1.0	-30.30	292.10	6.13	-24.17
COC(=O)C12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)CC2	REAL250004625191	1	39	-1.0	-30.38	291.97	6.16	-24.22
CC1=CC=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625192	0	26	-1.0	-49.82	244.32	6.09	-43.73
CC1=CC=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625192	1	26	-1.0	-49.70	244.46	6.08	-43.62
COC1=CC=CC(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625193	0	34	-1.0	-46.99	289.22	4.89	-42.10
COC1=CC=CC(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625193	1	34	-1.0	-47.10	289.09	4.93	-42.17
CC1=NC(C2CC2)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625194	0	32	-1.0	-45.87	266.73	5.84	-40.03
CC1=NC(C2CC2)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625194	1	32	-1.0	-45.73	266.87	5.83	-39.90
CN(C)C1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)C=C1	REAL250004625195	0	38	-1.0	-50.55	305.42	7.25	-43.30
CN(C)C1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)C=C1	REAL250004625195	1	38	-1.0	-50.64	305.28	7.28	-43.36
CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=N[N-]N=N1	REAL250004625196	0	34	-1.0	-54.94	286.40	5.16	-49.78
CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NN=N[N-]1	REAL250004625196	1	34	-1.0	-55.02	286.26	5.19	-49.83
CN(C(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004625197	0	35	-1.0	-46.82	280.01	5.21	-41.61
CN(C(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004625197	1	35	-1.0	-46.78	280.16	5.19	-41.59
CN(C(=O)C1=CNC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625198	0	24	-1.0	-50.31	228.36	3.77	-46.54
CN(C(=O)C1=CNC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625198	1	24	-1.0	-50.39	228.22	3.81	-46.58
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004625199	0	28	-1.0	-50.90	268.31	6.46	-44.44
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004625199	1	28	-1.0	-50.95	268.16	6.47	-44.48
CC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004625200	0	31	-1.0	-48.60	266.89	7.00	-41.60
CC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004625200	1	31	-1.0	-48.56	267.03	6.98	-41.58
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N1C	REAL250004625201	0	30	-1.0	-45.09	257.27	4.96	-40.13
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N1C	REAL250004625201	1	30	-1.0	-45.06	257.41	4.95	-40.11
CCS(=O)(=O)NC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625202	0	30	-1.0	-37.09	257.93	-0.12	-37.21
CCS(=O)(=O)NC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625202	1	30	-1.0	-37.06	257.40	-0.06	-37.12
CC1=CC(=O)NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C12	REAL250004625204	0	32	-1.0	-52.54	272.45	4.56	-47.98
CC1=CC(=O)NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C12	REAL250004625204	1	32	-1.0	-52.46	272.60	4.56	-47.90
CN(C(=O)C1(S(C)(=O)=O)CCOCC1)C1=N[N-]N=N1	REAL250004625205	0	33	-1.0	-48.33	260.29	0.11	-48.22
CN(C(=O)C1(S(C)(=O)=O)CCOCC1)C1=NN=N[N-]1	REAL250004625205	1	33	-1.0	-48.38	260.16	0.11	-48.27
CN(C(=O)CC1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004625206	0	26	-1.0	-50.64	251.48	6.50	-44.14
CN(C(=O)CC1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004625206	1	26	-1.0	-50.70	251.34	6.54	-44.16
CC(C)OC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004625207	0	36	-1.0	-50.86	295.76	7.29	-43.57
CC(C)OC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004625207	1	36	-1.0	-50.96	295.63	7.32	-43.64
CN(C(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004625208	0	35	-1.0	-47.83	278.76	5.29	-42.54
CN(C(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004625208	1	35	-1.0	-47.94	278.63	5.31	-42.63
CN(C(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004625209	0	27	-1.0	-40.21	261.88	4.19	-36.02
CN(C(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004625209	1	27	-1.0	-40.30	261.76	4.19	-36.11
CC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625210	0	29	-1.0	-46.01	263.37	6.66	-39.35
CC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625210	1	29	-1.0	-46.07	263.24	6.70	-39.37
CN(C(=O)C1=CC=C(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004625211	0	36	-1.0	-47.17	285.58	8.07	-39.10
CN(C(=O)C1=CC=C(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004625211	1	36	-1.0	-47.12	285.71	8.08	-39.04
CC1=CC=C2SC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004625212	0	29	-1.0	-46.31	260.41	6.91	-39.40
CC1=CC=C2SC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004625212	1	29	-1.0	-46.23	260.55	6.88	-39.35
CN(C(=O)CCCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004625213	0	32	-1.0	-49.75	285.42	7.93	-41.82
CN(C(=O)CCCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004625213	1	32	-1.0	-49.81	285.29	7.96	-41.85
CC1=CC(=O)C=C(C)N1CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004625214	0	38	-1.0	-63.95	309.45	6.96	-56.99
CC1=CC(=O)C=C(C)N1CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004625214	1	38	-1.0	-64.04	309.32	7.00	-57.04
CN(C(=O)COC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004625215	0	27	-1.0	-48.41	251.61	5.99	-42.42
CN(C(=O)COC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004625215	1	27	-1.0	-48.46	251.47	6.01	-42.45
CN(C(=O)C1CCN(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL250004625216	0	35	-1.0	-47.65	288.03	5.68	-41.97
CN(C(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL250004625216	1	35	-1.0	-47.72	287.89	5.70	-42.02
COC(=O)CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=CO1	REAL250004625217	0	32	-1.0	-53.30	289.66	5.48	-47.82
COC(=O)CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=CO1	REAL250004625217	1	32	-1.0	-53.33	289.52	5.49	-47.84
CN(C(=O)C1(C2=CC=CN=C2)CCCC1)C1=NN=N[N-]1	REAL250004625218	0	35	-1.0	-47.55	269.69	6.03	-41.52
CN(C(=O)C1(C2=CC=CN=C2)CCCC1)C1=N[N-]N=N1	REAL250004625218	1	35	-1.0	-47.47	269.83	6.02	-41.45
CN(C(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NN=N[N-]1	REAL250004625219	0	34	-1.0	-46.63	283.66	8.26	-38.37
CN(C(=O)C1=CC=C(C2=CCCC2)C=C1)C1=N[N-]N=N1	REAL250004625219	1	34	-1.0	-46.51	283.88	8.27	-38.24
CN(C(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL250004625220	0	35	-1.0	-44.24	285.69	7.43	-36.81
CN(C(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL250004625220	1	35	-1.0	-44.33	285.55	7.43	-36.90
CN(C(=O)C1=CON=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004625221	0	22	-1.0	-48.58	214.05	3.48	-45.10
CN(C(=O)C1=CON=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004625221	1	22	-1.0	-48.51	214.19	3.48	-45.03
CN(C)C1=NC(N)=NC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625222	0	30	-1.0	-47.97	261.72	6.67	-41.30
CN(C)C1=NC(N)=NC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625222	1	30	-1.0	-47.93	261.86	6.64	-41.29
CN(C(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=NN=N[N-]1	REAL250004625223	0	34	-1.0	-50.14	273.88	3.29	-46.85
CN(C(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=N[N-]N=N1	REAL250004625223	1	34	-1.0	-50.10	274.01	3.29	-46.81
CN(C(=O)C=CCN1CCOCC1)C1=N[N-]N=N1	REAL250004625224	0	33	-1.0	-48.44	272.18	2.12	-46.32
CN(C(=O)C=CCN1CCOCC1)C1=NN=N[N-]1	REAL250004625224	1	33	-1.0	-48.55	272.04	2.14	-46.41
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004625225	0	34	-1.0	-51.05	258.41	2.18	-48.87
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004625225	1	34	-1.0	-51.12	258.28	2.19	-48.93
CSCC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625226	0	29	-1.0	-50.71	268.16	5.04	-45.67
CSCC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625226	1	29	-1.0	-50.66	268.30	5.03	-45.63
CN(C(=O)C1CCCCCC(=O)C1)C1=N[N-]N=N1	REAL250004625227	0	34	-1.0	-37.32	252.70	5.34	-31.98
CN(C(=O)C1CCCCCC(=O)C1)C1=NN=N[N-]1	REAL250004625227	1	34	-1.0	-37.36	252.54	5.37	-31.99
CN(C)S(=O)(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004625228	0	29	-1.0	-51.42	260.99	-1.16	-52.58
CN(C)S(=O)(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004625228	1	29	-1.0	-51.51	260.86	-1.13	-52.64
CN(C(=O)CC1=CN=CC=C1Cl)C1=NN=N[N-]1	REAL250004625229	0	25	-1.0	-48.14	239.07	4.64	-43.50
CN(C(=O)CC1=CN=CC=C1Cl)C1=N[N-]N=N1	REAL250004625229	1	25	-1.0	-48.06	239.21	4.61	-43.45
CN(C(=O)C1=CC=CC=C1OC1CC1)C1=NN=N[N-]1	REAL250004625230	0	31	-1.0	-56.01	260.49	6.97	-49.04
CN(C(=O)C1=CC=CC=C1OC1CC1)C1=N[N-]N=N1	REAL250004625230	1	31	-1.0	-55.92	260.63	6.95	-48.97
CN(C(=O)C1=CN=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004625231	0	26	-1.0	-45.53	233.43	1.01	-44.52
CN(C(=O)C1=CN=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004625231	1	26	-1.0	-45.48	233.58	0.99	-44.49
CCOC(=O)C(C)(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004625232	0	34	-1.0	-42.57	278.58	5.81	-36.76
CCOC(=O)C(C)(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004625232	1	34	-1.0	-42.66	278.45	5.83	-36.83
CCOC(=O)NC1=C(C(=O)N(C)C2=N[N-]N=N2)N=CS1	REAL250004625233	0	30	-1.0	-46.56	275.09	2.62	-43.94
CCOC(=O)NC1=C(C(=O)N(C)C2=NN=N[N-]2)N=CS1	REAL250004625233	1	30	-1.0	-46.56	274.95	2.65	-43.91
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625234	0	25	-1.0	-45.66	238.30	4.28	-41.38
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625234	1	25	-1.0	-45.62	238.44	4.27	-41.35
CN(C(=O)C1=CC=CC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL250004625235	0	27	-1.0	-53.94	241.48	1.80	-52.14
CN(C(=O)C1=CC=CC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL250004625235	1	27	-1.0	-53.87	241.61	1.79	-52.08
CN(C(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL250004625236	0	27	-1.0	-51.47	255.91	-0.30	-51.77
CN(C(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL250004625236	1	27	-1.0	-51.39	256.05	-0.31	-51.70
CN(C(=O)C1=CN=C(OCC(F)F)C=N1)C1=NN=N[N-]1	REAL250004625237	0	28	-1.0	-46.34	261.12	2.09	-44.25
CN(C(=O)C1=CN=C(OCC(F)F)C=N1)C1=N[N-]N=N1	REAL250004625237	1	28	-1.0	-46.29	261.26	2.08	-44.21
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=CS1	REAL250004625238	0	28	-1.0	-50.56	256.00	4.13	-46.43
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=CS1	REAL250004625238	1	28	-1.0	-50.47	256.14	4.11	-46.36
CC1=CC=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004625239	0	39	-1.0	-48.07	286.54	7.89	-40.18
CC1=CC=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004625239	1	39	-1.0	-48.04	286.67	7.87	-40.17
CN(C(=O)C1=CN(C2CCOCC2)N=N1)C1=NN=N[N-]1	REAL250004625240	0	33	-1.0	-45.59	275.94	2.77	-42.82
CN(C(=O)C1=CN(C2CCOCC2)N=N1)C1=N[N-]N=N1	REAL250004625240	1	33	-1.0	-45.56	276.09	2.75	-42.81
CN(C(=O)C1=CC=CN=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004625241	0	32	-1.0	-55.88	278.37	4.34	-51.54
CN(C(=O)C1=CC=CN=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004625241	1	32	-1.0	-55.76	278.52	4.32	-51.44
CN(C(=O)C1=CNC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004625242	0	30	-1.0	-50.29	264.70	6.34	-43.95
CN(C(=O)C1=CNC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004625242	1	30	-1.0	-50.17	264.88	6.32	-43.85
CN(C(=O)C1(C2=CC=CC=C2)CC(=O)C1)C1=NN=N[N-]1	REAL250004625243	0	32	-1.0	-52.87	266.24	6.22	-46.65
CN(C(=O)C1(C2=CC=CC=C2)CC(=O)C1)C1=N[N-]N=N1	REAL250004625243	1	32	-1.0	-52.83	266.38	6.19	-46.64
CC1=CC=CC(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625244	0	26	-1.0	-49.30	248.73	6.17	-43.13
CC1=CC=CC(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625244	1	26	-1.0	-49.36	248.60	6.18	-43.18
CN(C(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=NN=N[N-]1	REAL250004625245	0	28	-1.0	-49.66	257.94	6.87	-42.79
CN(C(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=N[N-]N=N1	REAL250004625245	1	28	-1.0	-49.57	258.08	6.86	-42.71
CN(C(=O)C1=CC(C(F)(F)F)=NO1)C1=NN=N[N-]1	REAL250004625246	0	22	-1.0	-37.48	222.20	3.61	-33.87
CN(C(=O)C1=CC(C(F)(F)F)=NO1)C1=N[N-]N=N1	REAL250004625246	1	22	-1.0	-37.38	222.34	3.59	-33.79
CN(C(=O)C1=NC2=CN=CC=C2S1)C1=NN=N[N-]1	REAL250004625247	0	24	-1.0	-44.13	232.41	3.66	-40.47
CN(C(=O)C1=NC2=CN=CC=C2S1)C1=N[N-]N=N1	REAL250004625247	1	24	-1.0	-44.03	232.55	3.65	-40.38
CCOC(=O)C(CC(=O)N(C)C1=N[N-]N=N1)C(C)=O	REAL250004625248	0	33	-1.0	-47.58	288.47	5.14	-42.44
CCOC(=O)C(CC(=O)N(C)C1=NN=N[N-]1)C(C)=O	REAL250004625248	1	33	-1.0	-47.62	288.34	5.17	-42.45
CN(C(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=N[N-]N=N1	REAL250004625250	0	33	-1.0	-48.82	285.07	7.04	-41.78
CN(C(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=NN=N[N-]1	REAL250004625250	1	33	-1.0	-48.89	284.93	7.07	-41.82
CC1=C2SC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC=C1	REAL250004625251	0	29	-1.0	-46.62	259.35	6.87	-39.75
CC1=C2SC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC=C1	REAL250004625251	1	29	-1.0	-46.56	259.49	6.84	-39.72
CN(C(=O)C1=C(Br)N=NN1C)C1=NN=N[N-]1	REAL250004625252	0	22	-1.0	-40.04	227.52	1.98	-38.06
CN(C(=O)C1=C(Br)N=NN1C)C1=N[N-]N=N1	REAL250004625252	1	22	-1.0	-40.02	227.66	1.98	-38.04
CN(C(=O)C1=NC=C(Br)S1)C1=NN=N[N-]1	REAL250004625254	0	19	-1.0	-41.33	212.05	3.80	-37.53
CN(C(=O)C1=NC=C(Br)S1)C1=N[N-]N=N1	REAL250004625254	1	19	-1.0	-41.27	212.19	3.76	-37.51
CN(C(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NN=N[N-]1	REAL250004625255	0	29	-1.0	-60.06	252.47	4.24	-55.82
CN(C(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=N[N-]N=N1	REAL250004625255	1	29	-1.0	-59.98	252.61	4.23	-55.75
CN(C(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625256	0	36	-1.0	-47.24	305.75	7.89	-39.35
CN(C(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625256	1	36	-1.0	-47.31	305.61	7.92	-39.39
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N1	REAL250004625257	0	27	-1.0	-44.10	244.51	3.94	-40.16
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N1	REAL250004625257	1	27	-1.0	-43.98	244.65	3.91	-40.07
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625258	0	42	-1.0	-43.40	320.38	4.20	-39.20
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625258	1	42	-1.0	-43.48	320.25	4.23	-39.25
CN(C(=O)C1=C2N=CN(C)C2=NC=C1)C1=NN=N[N-]1	REAL250004625259	0	28	-1.0	-58.14	248.55	5.48	-52.66
CN(C(=O)C1=C2N=CN(C)C2=NC=C1)C1=N[N-]N=N1	REAL250004625259	1	28	-1.0	-58.05	248.68	5.48	-52.57
CN(C(=O)C1=C(C2CC2)N=NS1)C1=N[N-]N=N1	REAL250004625260	0	25	-1.0	-41.13	232.04	3.64	-37.49
CN(C(=O)C1=C(C2CC2)N=NS1)C1=NN=N[N-]1	REAL250004625260	1	25	-1.0	-41.17	231.90	3.67	-37.50
CN(C(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL250004625261	0	29	-1.0	-49.39	262.98	3.95	-45.44
CN(C(=O)C1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL250004625261	1	29	-1.0	-49.32	263.13	3.95	-45.37
CCCC1=NN=C(SCC(=O)N(C)C2=N[N-]N=N2)N1N	REAL250004625262	0	34	-1.0	-46.42	306.76	5.06	-41.36
CCCC1=NN=C(SCC(=O)N(C)C2=NN=N[N-]2)N1N	REAL250004625262	1	34	-1.0	-46.52	306.63	5.09	-41.43
CCCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625263	0	31	-1.0	-42.90	264.55	3.00	-39.90
CCCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625263	1	31	-1.0	-43.01	264.41	3.03	-39.98
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004625264	0	31	-1.0	-52.09	274.08	7.16	-44.93
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004625264	1	31	-1.0	-52.17	273.94	7.19	-44.98
CN(C(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NN=N[N-]1	REAL250004625265	0	34	-1.0	-46.60	279.74	5.90	-40.70
CN(C(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=N[N-]N=N1	REAL250004625265	1	34	-1.0	-46.47	279.89	5.89	-40.58
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(Cl)=N1	REAL250004625266	0	28	-1.0	-51.35	260.41	5.14	-46.21
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(Cl)=N1	REAL250004625266	1	28	-1.0	-51.41	260.27	5.17	-46.24
CN(C(=O)C12CCC(F)(CC1)CC2)C1=N[N-]N=N1	REAL250004625268	0	33	-1.0	-29.10	244.39	5.67	-23.43
CN(C(=O)C12CCC(F)(CC1)CC2)C1=NN=N[N-]1	REAL250004625268	1	33	-1.0	-29.14	244.27	5.69	-23.45
CN(C(=O)C1CCOC(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004625269	0	35	-1.0	-33.27	280.88	6.01	-27.26
CN(C(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004625269	1	35	-1.0	-33.32	280.75	6.02	-27.30
CC(C)C(=O)N[C@@H](CO)C(=O)N(C)C1=N[N-]N=N1	REAL250004625270	0	33	-1.0	-37.43	273.82	-0.24	-37.67
CC(C)C(=O)N[C@@H](CO)C(=O)N(C)C1=NN=N[N-]1	REAL250004625270	1	33	-1.0	-37.46	273.67	-0.22	-37.68
CN(C(=O)C1CCC2=C(C1)N(C)N=N2)C1=N[N-]N=N1	REAL250004625271	0	32	-1.0	-35.33	259.52	3.90	-31.43
CN(C(=O)C1CCC2=C(C1)N(C)N=N2)C1=NN=N[N-]1	REAL250004625271	1	32	-1.0	-35.35	259.28	3.91	-31.44
COC1=CC=CC2=C(C(=O)N(C)C3=NN=N[N-]3)NN=C21	REAL250004625272	0	30	-1.0	-45.12	265.32	3.08	-42.04
COC1=CC=CC2=C(C(=O)N(C)C3=N[N-]N=N3)NN=C21	REAL250004625272	1	30	-1.0	-45.03	265.50	3.08	-41.95
COC1=C2NN=C(C(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004625272	1	30	-1.0	-48.68	260.64	3.57	-45.11
COC1=C2NN=C(C(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004625272	1	30	-1.0	-48.59	260.78	3.55	-45.04
CC1=NC(Cl)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625274	0	25	-1.0	-39.66	249.51	4.62	-35.04
CC1=NC(Cl)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625274	1	25	-1.0	-39.72	249.11	4.62	-35.10
CN(C(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004625275	0	33	-1.0	-42.86	274.48	4.84	-38.02
CN(C(=O)C1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004625275	1	33	-1.0	-42.76	274.62	4.83	-37.93
CCOC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625276	0	32	-1.0	-46.89	278.26	6.49	-40.40
CCOC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625276	1	32	-1.0	-46.83	278.40	6.49	-40.34
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL250004625277	0	29	-1.0	-44.40	261.22	6.91	-37.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL250004625277	1	29	-1.0	-44.29	261.36	6.90	-37.39
CN(C(=O)C(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004625278	0	27	-1.0	-45.51	249.04	4.17	-41.34
CN(C(=O)C(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004625278	1	27	-1.0	-45.61	248.90	4.18	-41.43
CN(C(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004625279	0	31	-1.0	-44.01	269.79	5.69	-38.32
CN(C(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004625279	1	31	-1.0	-43.96	269.93	5.67	-38.29
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL250004625280	0	37	-1.0	-36.27	301.00	7.65	-28.62
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL250004625280	1	37	-1.0	-36.23	301.13	7.63	-28.60
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL250004625281	0	35	-1.0	-58.75	299.77	7.32	-51.43
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL250004625281	1	35	-1.0	-58.80	299.63	7.35	-51.45
CN(C(=O)C1=CNN=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004625282	0	29	-1.0	-57.37	257.90	3.62	-53.75
CN(C(=O)C1=CNN=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004625282	1	29	-1.0	-57.30	258.03	3.61	-53.69
CN(C(=O)CCSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004625283	0	30	-1.0	-44.85	286.79	7.74	-37.11
CN(C(=O)CCSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004625283	1	30	-1.0	-44.89	286.65	7.78	-37.11
CN(C(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625284	0	25	-1.0	-43.17	236.92	4.07	-39.10
CN(C(=O)C1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625284	1	25	-1.0	-43.08	237.06	4.06	-39.02
CN(C(=O)C(O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004625285	0	27	-1.0	-42.57	251.61	4.12	-38.45
CN(C(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004625285	1	27	-1.0	-42.66	251.48	4.14	-38.52
CN(C(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NN=N[N-]1	REAL250004625286	0	24	-1.0	-42.79	241.50	5.22	-37.57
CN(C(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=N[N-]N=N1	REAL250004625286	1	24	-1.0	-42.71	241.65	5.20	-37.51
COC(C)(C)C1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625287	0	35	-1.0	-44.06	293.08	3.51	-40.55
COC(C)(C)C1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625287	1	35	-1.0	-44.16	292.94	3.54	-40.62
CC1=CC(C(F)(F)F)=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625288	0	29	-1.0	-51.75	273.21	4.80	-46.95
CC1=CC(C(F)(F)F)=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625288	1	29	-1.0	-51.85	273.07	4.83	-47.02
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004625289	0	30	-1.0	-53.25	263.23	7.31	-45.94
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004625289	1	30	-1.0	-53.34	263.10	7.34	-46.00
CN(C(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625290	0	27	-1.0	-53.25	240.45	5.41	-47.84
CN(C(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625290	1	27	-1.0	-53.18	240.59	5.40	-47.78
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL250004625291	0	32	-1.0	-49.31	274.52	4.60	-44.71
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL250004625291	1	32	-1.0	-49.26	274.66	4.58	-44.68
CN(C(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=N[N-]N=N1	REAL250004625292	0	37	-1.0	-46.77	307.43	5.83	-40.94
CN(C(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NN=N[N-]1	REAL250004625292	1	37	-1.0	-46.86	307.29	5.86	-41.00
CN(C(=O)C1CCC2=NN=NN2CC1)C1=N[N-]N=N1	REAL250004625293	0	31	-1.0	-56.49	254.44	3.37	-53.12
CN(C(=O)C1CCC2=NN=NN2CC1)C1=NN=N[N-]1	REAL250004625293	1	31	-1.0	-56.55	254.28	3.41	-53.14
CN(C(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NN=N[N-]1	REAL250004625294	0	31	-1.0	-46.26	276.76	2.39	-43.87
CN(C(=O)C1=CN=C(C2(C)OCCO2)S1)C1=N[N-]N=N1	REAL250004625294	1	31	-1.0	-46.17	276.91	2.37	-43.80
CN(C(=O)CCCC(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625295	0	36	-1.0	-50.85	301.55	5.19	-45.66
CN(C(=O)CCCC(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625295	1	36	-1.0	-50.91	301.42	5.23	-45.68
CN(C(=O)C1CN(C(=O)C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004625296	0	40	-1.0	-50.01	319.91	6.00	-44.01
CN(C(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004625296	1	40	-1.0	-50.12	319.77	6.02	-44.10
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625297	0	34	-1.0	-51.27	286.47	6.58	-44.69
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625297	1	34	-1.0	-51.30	286.34	6.61	-44.69
CC(C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004625298	0	32	-1.0	-47.31	276.73	7.08	-40.23
CC(C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004625298	1	32	-1.0	-47.38	276.58	7.07	-40.31
CC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625299	0	31	-1.0	-46.41	263.77	5.98	-40.43
CC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625299	1	31	-1.0	-46.33	263.91	5.98	-40.35
CN(C(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004625300	0	36	-1.0	-33.23	288.59	7.14	-26.09
CN(C(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004625300	1	36	-1.0	-33.31	288.42	7.15	-26.16
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004625301	0	32	-1.0	-47.94	270.06	6.07	-41.87
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004625301	1	32	-1.0	-47.88	270.19	6.07	-41.81
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004625302	0	28	-1.0	-54.47	264.39	7.54	-46.93
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004625302	1	28	-1.0	-54.37	264.53	7.54	-46.83
CC(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625303	0	34	-1.0	-33.75	270.27	6.60	-27.15
CC(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625303	1	34	-1.0	-33.82	270.13	6.61	-27.21
CN(C(=O)COCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004625304	0	30	-1.0	-51.85	281.07	6.85	-45.00
CN(C(=O)COCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004625304	1	30	-1.0	-51.89	280.94	6.88	-45.01
CN(C(=O)C1=CC(Br)=CO1)C1=N[N-]N=N1	REAL250004625305	0	20	-1.0	-44.04	208.32	4.03	-40.01
CN(C(=O)C1=CC(Br)=CO1)C1=NN=N[N-]1	REAL250004625305	1	20	-1.0	-44.14	208.17	4.05	-40.09
C[C@H]1CC[C@@](C)(C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004625306	0	38	-1.0	-50.58	261.04	6.36	-44.22
C[C@H]1CC[C@@](C)(C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004625306	1	38	-1.0	-50.67	260.91	6.37	-44.30
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL250004625307	0	33	-1.0	-58.94	272.75	1.49	-57.45
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL250004625307	1	33	-1.0	-58.88	272.91	1.47	-57.41
CCON1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625308	0	38	-1.0	-48.97	301.89	4.99	-43.98
CCON1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625308	1	38	-1.0	-49.03	301.75	5.02	-44.01
CN(C(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004625309	0	35	-1.0	-31.53	284.51	7.27	-24.26
CN(C(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004625309	1	35	-1.0	-31.55	284.34	7.27	-24.28
CN(C(=O)C1=C(N2C=CN=N2)C=CS1)C1=NN=N[N-]1	REAL250004625310	0	26	-1.0	-64.21	251.27	4.16	-60.05
CN(C(=O)C1=C(N2C=CN=N2)C=CS1)C1=N[N-]N=N1	REAL250004625310	1	26	-1.0	-64.14	251.42	4.17	-59.97
CN(C(=O)C=CC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004625311	0	34	-1.0	-47.88	288.11	8.57	-39.31
CN(C(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004625311	1	34	-1.0	-47.93	287.96	8.59	-39.34
COC(=O)C1=C(CCC(=O)N(C)C2=NN=N[N-]2)OC=N1	REAL250004625312	0	31	-1.0	-52.22	279.66	2.11	-50.11
COC(=O)C1=C(CCC(=O)N(C)C2=N[N-]N=N2)OC=N1	REAL250004625312	1	31	-1.0	-52.16	279.80	2.08	-50.08
CN(C(=O)C1=C(S(N)(=O)=O)C=CS1)C1=N[N-]N=N1	REAL250004625314	0	25	-1.0	-50.70	240.18	-0.15	-50.85
CN(C(=O)C1=C(S(N)(=O)=O)C=CS1)C1=NN=N[N-]1	REAL250004625314	1	25	-1.0	-50.76	240.04	-0.13	-50.89
CCC1(CN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)COC1	REAL250004625318	0	36	-1.0	-48.15	296.21	3.41	-44.74
CCC1(CN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)COC1	REAL250004625318	1	36	-1.0	-48.09	296.36	3.40	-44.69
CN(C(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004625320	0	24	-1.0	-41.77	233.83	3.18	-38.59
CN(C(=O)C1=CN=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004625320	1	24	-1.0	-41.64	233.97	3.17	-38.47
CN(C(=O)C1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625321	0	37	-1.0	-62.02	299.86	5.21	-56.81
CN(C(=O)C1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625321	1	37	-1.0	-62.13	299.73	5.24	-56.89
CNC1=NC=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004625322	0	32	-1.0	-52.94	271.47	5.10	-47.84
CNC1=NC=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004625322	1	32	-1.0	-52.85	271.61	5.10	-47.75
CN(C(=O)C1=NN(C)C(Br)=C1)C1=NN=N[N-]1	REAL250004625323	0	23	-1.0	-46.23	228.70	3.80	-42.43
CN(C(=O)C1=NN(C)C(Br)=C1)C1=N[N-]N=N1	REAL250004625323	1	23	-1.0	-46.16	228.76	3.80	-42.36
COC1=CC(Cl)=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625324	0	27	-1.0	-48.89	251.85	4.75	-44.14
COC1=CC(Cl)=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625324	1	27	-1.0	-48.96	251.70	4.75	-44.21
CCSC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625325	0	29	-1.0	-52.84	255.55	6.06	-46.78
CCSC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625325	1	29	-1.0	-52.76	255.69	6.05	-46.71
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL250004625326	0	32	-1.0	-52.02	265.07	7.73	-44.29
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL250004625326	1	32	-1.0	-51.91	265.22	7.72	-44.19
CN(C(=O)C1CC1(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625327	0	30	-1.0	-52.65	261.48	7.29	-45.36
CN(C(=O)C1CC1(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625327	1	30	-1.0	-52.71	261.35	7.32	-45.39
CC1=CC=CC2=C1OC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004625328	0	31	-1.0	-51.00	262.21	6.67	-44.33
CC1=CC=CC2=C1OC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004625328	1	31	-1.0	-51.04	262.08	6.69	-44.35
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NN=N[N-]1	REAL250004625329	0	30	-1.0	-48.38	271.10	5.04	-43.34
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=N[N-]N=N1	REAL250004625329	1	30	-1.0	-48.31	271.25	5.04	-43.27
CN(C(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL250004625330	0	30	-1.0	-49.76	278.56	6.36	-43.40
CN(C(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL250004625330	1	30	-1.0	-49.81	278.43	6.40	-43.41
CN(C(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NN=N[N-]1	REAL250004625331	0	33	-1.0	-44.26	280.03	6.31	-37.95
CN(C(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=N[N-]N=N1	REAL250004625331	1	33	-1.0	-44.19	280.15	6.29	-37.90
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004625332	0	31	-1.0	-50.70	267.99	4.43	-46.27
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004625332	1	31	-1.0	-50.76	267.86	4.45	-46.31
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625333	0	40	-1.0	-49.82	315.35	7.41	-42.41
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625333	1	40	-1.0	-49.81	315.21	7.44	-42.37
CCC(O)(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004625335	0	36	-1.0	-45.12	286.96	5.63	-39.49
CCC(O)(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004625335	1	36	-1.0	-45.21	286.83	5.66	-39.55
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL250004625336	0	30	-1.0	-44.68	268.52	6.69	-37.99
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL250004625336	1	30	-1.0	-44.58	268.66	6.68	-37.90
CC(=O)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625337	0	24	-1.0	-42.56	233.27	2.62	-39.94
CC(=O)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625337	1	24	-1.0	-42.64	233.13	2.64	-40.00
CN(C(=O)C1=C(Br)C=NN1C)C1=NN=N[N-]1	REAL250004625338	0	23	-1.0	-42.28	232.54	3.46	-38.82
CN(C(=O)C1=C(Br)C=NN1C)C1=N[N-]N=N1	REAL250004625338	1	23	-1.0	-42.27	232.68	3.45	-38.82
CN(C(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NN=N[N-]1	REAL250004625339	0	31	-1.0	-51.55	262.87	7.02	-44.53
CN(C(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=N[N-]N=N1	REAL250004625339	1	31	-1.0	-51.44	263.02	7.02	-44.42
CCCCCCOC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625340	0	38	-1.0	-49.86	305.08	6.89	-42.97
CCCCCCOC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625340	1	38	-1.0	-49.96	304.94	6.91	-43.05
CN(C(=O)CC1CSC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004625341	0	32	-1.0	-53.62	282.56	7.27	-46.35
CN(C(=O)CC1CSC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004625341	1	32	-1.0	-53.73	282.42	7.29	-46.44
CN(C(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004625342	0	27	-1.0	-47.73	240.42	4.58	-43.15
CN(C(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004625342	1	27	-1.0	-47.62	240.55	4.55	-43.07
CN(C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625343	0	33	-1.0	-46.09	268.50	7.35	-38.74
CN(C(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625343	1	33	-1.0	-46.13	268.36	7.37	-38.76
CC1=C(CCC(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004625344	0	28	-1.0	-46.34	254.78	4.51	-41.83
CC1=C(CCC(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004625344	1	28	-1.0	-46.42	254.65	4.53	-41.89
CN(C(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004625345	0	36	-1.0	-50.94	305.78	9.37	-41.57
CN(C(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004625345	1	36	-1.0	-50.90	305.92	9.38	-41.52
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004625346	0	32	-1.0	-45.91	275.68	6.01	-39.90
CC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004625346	1	32	-1.0	-45.82	275.82	5.99	-39.83
CCOC1=CC=C(CC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625347	0	39	-1.0	-46.69	313.07	7.18	-39.51
CCOC1=CC=C(CC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625347	1	39	-1.0	-46.80	312.93	7.21	-39.59
CN(C(=O)C1CCC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004625348	0	31	-1.0	-51.46	256.77	6.71	-44.75
CN(C(=O)C1CCC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004625348	1	31	-1.0	-51.56	256.64	6.73	-44.83
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004625349	0	32	-1.0	-49.84	285.91	7.95	-41.89
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004625349	1	32	-1.0	-49.95	285.77	7.99	-41.96
CN(C(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625350	0	37	-1.0	-48.96	294.70	6.71	-42.25
CN(C(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625350	1	37	-1.0	-49.11	294.57	6.74	-42.37
CCCN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004625351	0	33	-1.0	-47.67	274.38	4.54	-43.13
CCCN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004625351	1	33	-1.0	-47.75	274.26	4.57	-43.18
CN(C(=O)C1=NN(C)C2=C1CCCC2)C1=NN=N[N-]1	REAL250004625352	0	33	-1.0	-52.84	267.67	5.74	-47.10
CN(C(=O)C1=NN(C)C2=C1CCCC2)C1=N[N-]N=N1	REAL250004625352	1	33	-1.0	-52.79	267.82	5.72	-47.07
CCC(CC)OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625353	0	39	-1.0	-47.03	306.75	7.16	-39.87
CCC(CC)OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625353	1	39	-1.0	-47.14	306.61	7.16	-39.98
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004625354	0	31	-1.0	-52.74	277.80	7.67	-45.07
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004625354	1	31	-1.0	-52.81	277.67	7.69	-45.12
CN(C(=O)C1=NC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004625355	0	28	-1.0	-57.12	255.41	2.09	-55.03
CN(C(=O)C1=NC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004625355	1	28	-1.0	-57.04	255.54	2.10	-54.94
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004625356	0	32	-1.0	-54.85	266.70	5.40	-49.45
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004625356	1	32	-1.0	-54.94	266.56	5.43	-49.51
CN(C(=O)C1=CSC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004625357	0	35	-1.0	-46.81	294.19	6.84	-39.97
CN(C(=O)C1=CSC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004625357	1	35	-1.0	-46.87	294.03	6.86	-40.01
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004625358	0	30	-1.0	-47.13	273.71	7.80	-39.33
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004625358	1	30	-1.0	-47.20	273.57	7.83	-39.37
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004625359	0	34	-1.0	-52.20	285.35	6.62	-45.58
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004625359	1	34	-1.0	-52.25	285.21	6.64	-45.61
CCC1=CC=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004625360	0	35	-1.0	-46.04	293.92	6.79	-39.25
CCC1=CC=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004625360	1	35	-1.0	-45.92	294.06	6.77	-39.15
CC1=CC(Cl)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625361	0	25	-1.0	-42.41	234.32	4.16	-38.25
CC1=CC(Cl)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625361	1	25	-1.0	-42.32	234.45	4.17	-38.15
CN(C(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004625362	0	29	-1.0	-46.39	256.46	4.21	-42.18
CN(C(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004625362	1	29	-1.0	-46.47	256.32	4.23	-42.24
CN(C(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NN=N[N-]1	REAL250004625363	0	28	-1.0	-46.16	254.88	3.50	-42.66
CN(C(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=N[N-]N=N1	REAL250004625363	1	28	-1.0	-46.08	255.02	3.49	-42.59
CN(C(=O)C1=CN(C)N=C1C1CCC1)C1=NN=N[N-]1	REAL250004625364	0	33	-1.0	-51.15	270.64	5.35	-45.80
CN(C(=O)C1=CN(C)N=C1C1CCC1)C1=N[N-]N=N1	REAL250004625364	1	33	-1.0	-51.03	270.78	5.34	-45.69
CN(C(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004625365	0	33	-1.0	-48.25	279.08	8.06	-40.19
CN(C(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004625365	1	33	-1.0	-48.36	278.94	8.10	-40.26
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004625366	0	29	-1.0	-45.55	258.44	1.85	-43.70
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004625366	1	29	-1.0	-45.48	258.58	1.82	-43.66
CN(C(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625367	0	37	-1.0	-51.02	284.20	6.10	-44.92
CN(C(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625367	1	37	-1.0	-51.08	284.07	6.10	-44.98
CN(C(=O)C1(C(F)(F)F)CCCC1)C1=N[N-]N=N1	REAL250004625368	0	29	-1.0	-44.62	234.64	5.08	-39.54
CN(C(=O)C1(C(F)(F)F)CCCC1)C1=NN=N[N-]1	REAL250004625368	1	29	-1.0	-44.68	234.51	5.09	-39.59
COC1=CC=C2ON=C(CC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004625369	0	32	-1.0	-54.41	282.76	4.57	-49.84
COC1=CC=C2ON=C(CC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004625369	1	32	-1.0	-54.47	282.63	4.61	-49.86
CN(C(=O)CC1=NOC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004625370	0	28	-1.0	-51.95	259.71	5.35	-46.60
CN(C(=O)CC1=NOC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004625370	1	28	-1.0	-51.99	259.57	5.38	-46.61
COC1CCCCN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004625371	0	37	-1.0	-58.57	294.18	5.04	-53.53
COC1CCCCN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004625371	1	37	-1.0	-58.62	294.04	5.06	-53.56
CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625372	0	40	-1.0	-32.00	312.86	4.99	-27.01
CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625372	1	40	-1.0	-32.08	312.72	5.00	-27.08
CN(C(=O)C1=CC=C(S(C)(=O)=O)S1)C1=N[N-]N=N1	REAL250004625373	0	26	-1.0	-50.55	255.06	1.43	-49.12
CN(C(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NN=N[N-]1	REAL250004625373	1	26	-1.0	-50.64	254.91	1.42	-49.22
CN(C(=O)CC1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625374	0	32	-1.0	-54.25	279.68	5.86	-48.39
CN(C(=O)CC1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625374	1	32	-1.0	-54.15	279.81	5.83	-48.32
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625375	0	31	-1.0	-45.97	266.34	6.81	-39.16
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625375	1	31	-1.0	-45.93	266.48	6.79	-39.14
CN(C(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL250004625376	0	34	-1.0	-47.16	275.77	6.51	-40.65
CN(C(=O)C1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL250004625376	1	34	-1.0	-47.13	275.91	6.49	-40.64
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004625377	0	33	-1.0	-48.30	281.41	7.08	-41.22
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004625377	1	33	-1.0	-48.25	281.55	7.07	-41.18
CN(C(=O)C1=C(C2CCOCC2)NN=C1)C1=N[N-]N=N1	REAL250004625378	0	34	-1.0	-45.95	277.85	2.75	-43.20
CN(C(=O)C1=C(C2CCOCC2)NN=C1)C1=NN=N[N-]1	REAL250004625378	1	34	-1.0	-46.04	277.70	2.76	-43.28
CC1CCC(C)(C=CC(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004625379	0	42	-1.0	-47.52	309.31	7.88	-39.64
CC1CCC(C)(C=CC(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004625379	1	42	-1.0	-47.58	309.17	7.90	-39.68
CN(C(=O)C1=C(C(F)(F)F)NC=N1)C1=N[N-]N=N1	REAL250004625381	0	23	-1.0	-52.14	220.85	4.45	-47.69
CN(C(=O)C1=C(C(F)(F)F)NC=N1)C1=NN=N[N-]1	REAL250004625381	1	23	-1.0	-52.20	220.64	4.47	-47.73
CC(=O)NC(=CC1=CC=CS1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625382	0	31	-1.0	-57.29	278.88	5.65	-51.64
CC(=O)NC(=CC1=CC=CS1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625382	1	31	-1.0	-57.22	279.40	5.65	-51.57
COC(=O)C1=CC=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625384	0	28	-1.0	-53.21	254.43	4.90	-48.31
COC(=O)C1=CC=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625384	1	28	-1.0	-53.15	254.57	4.88	-48.27
CNC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625385	0	28	-1.0	-49.42	249.17	4.19	-45.23
CNC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625385	1	28	-1.0	-49.31	249.31	4.20	-45.11
CN(C(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004625386	0	33	-1.0	-50.79	270.51	7.09	-43.70
CN(C(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004625386	1	33	-1.0	-50.85	270.38	7.12	-43.73
CN(C(=O)C1(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004625387	0	31	-1.0	-46.35	265.13	6.15	-40.20
CN(C(=O)C1(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004625387	1	31	-1.0	-46.40	264.99	6.15	-40.25
CCOC(=O)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004625388	0	35	-1.0	-36.38	295.77	7.74	-28.64
CCOC(=O)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004625388	1	35	-1.0	-36.36	295.99	7.73	-28.63
CC1=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=NN1C	REAL250004625389	0	26	-1.0	-51.34	242.93	4.40	-46.94
CC1=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=NN1C	REAL250004625389	1	26	-1.0	-51.44	242.78	4.41	-47.03
CCN1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004625390	0	33	-1.0	-32.35	264.18	4.36	-27.99
CCN1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004625390	1	33	-1.0	-32.41	263.89	4.43	-27.98
CN(C(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625391	0	28	-1.0	-52.26	260.60	5.95	-46.31
CN(C(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625391	1	28	-1.0	-52.34	260.47	5.98	-46.36
CN(C(=O)C1=CC=CC=C1C1=CNN=C1)C1=NN=N[N-]1	REAL250004625392	0	30	-1.0	-54.90	263.06	4.96	-49.94
CN(C(=O)C1=CC=CC=C1C1=CNN=C1)C1=N[N-]N=N1	REAL250004625392	1	30	-1.0	-54.81	263.21	4.95	-49.86
CCOCN1N=C(C)C(CC(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004625393	0	39	-1.0	-52.63	326.46	4.24	-48.39
CCOCN1N=C(C)C(CC(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004625393	1	39	-1.0	-52.67	326.32	4.28	-48.39
CC(=CC1CCC(C)CC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625394	0	39	-1.0	-46.26	307.18	7.99	-38.27
CC(=CC1CCC(C)CC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625394	1	39	-1.0	-46.33	307.04	8.01	-38.32
COC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)N2C=C1	REAL250004625395	0	30	-1.0	-48.31	255.34	4.54	-43.77
COC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)N2C=C1	REAL250004625395	1	30	-1.0	-48.22	255.49	4.52	-43.70
COC1=CC=CC(S(=O)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625396	0	32	-1.0	-59.86	289.89	3.38	-56.48
COC1=CC=CC(S(=O)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625396	1	32	-1.0	-59.94	289.76	3.41	-56.53
CC1=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004625397	0	29	-1.0	-51.30	253.62	6.13	-45.17
CC1=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004625397	1	29	-1.0	-51.23	253.77	6.10	-45.13
CCC(CC1=CC=CC=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625398	0	38	-1.0	-45.84	297.03	8.05	-37.79
CCC(CC1=CC=CC=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625398	1	38	-1.0	-45.89	296.90	8.08	-37.81
CN(C(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL250004625399	0	32	-1.0	-53.02	280.64	8.97	-44.05
CN(C(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL250004625399	1	32	-1.0	-52.90	280.78	8.95	-43.95
CN(C(=O)CCC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004625400	0	33	-1.0	-48.61	290.53	6.35	-42.26
CN(C(=O)CCC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004625400	1	33	-1.0	-48.69	290.39	6.38	-42.31
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(Br)O1	REAL250004625401	0	23	-1.0	-42.73	223.09	4.51	-38.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(Br)O1	REAL250004625401	1	23	-1.0	-42.82	222.95	4.52	-38.30
CN(C(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625402	0	27	-1.0	-47.40	240.41	4.57	-42.83
CN(C(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625402	1	27	-1.0	-47.32	240.55	4.57	-42.75
CC(=O)NC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625403	0	33	-1.0	-55.59	286.23	4.86	-50.73
CC(=O)NC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625403	1	33	-1.0	-55.68	286.09	4.90	-50.78
COC(=O)N1CC2CCC1C(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004625404	0	38	-1.0	-60.85	294.48	5.61	-55.24
COC(=O)N1CC2CCC1C(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004625404	1	38	-1.0	-60.96	294.34	5.63	-55.33
COC(=O)N1CC2C=CC1C(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004625405	0	36	-1.0	-53.04	288.67	4.83	-48.21
COC(=O)N1CC2C=CC1C(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004625405	1	36	-1.0	-53.16	288.53	4.85	-48.31
C=CCC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004625406	0	34	-1.0	-48.29	256.54	4.12	-44.17
C=CCC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004625406	1	34	-1.0	-48.42	256.40	4.13	-44.29
CN(C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625407	0	37	-1.0	-47.81	306.27	3.75	-44.06
CN(C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625407	1	37	-1.0	-47.90	306.14	3.76	-44.14
CN(C(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004625408	0	34	-1.0	-47.40	271.92	3.73	-43.67
CN(C(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004625408	1	34	-1.0	-47.25	272.07	3.71	-43.54
CC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1	REAL250004625409	0	36	-1.0	-49.69	284.59	7.78	-41.91
CC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1	REAL250004625409	1	36	-1.0	-49.63	284.72	7.77	-41.86
CN(C(=O)C1=CC=CC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL250004625410	0	30	-1.0	-52.72	259.18	5.93	-46.79
CN(C(=O)C1=CC=CC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL250004625410	1	30	-1.0	-52.63	259.32	5.91	-46.72
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004625411	0	31	-1.0	-55.69	281.40	1.93	-53.76
CN(C(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004625411	1	31	-1.0	-55.74	281.27	1.96	-53.78
CN(C(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL250004625414	0	32	-1.0	-46.71	276.76	6.02	-40.69
CN(C(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL250004625414	1	32	-1.0	-46.64	276.90	6.03	-40.61
CN(C(=O)C1=CC=C(SC(F)(F)F)O1)C1=N[N-]N=N1	REAL250004625415	0	24	-1.0	-43.79	247.23	5.16	-38.63
CN(C(=O)C1=CC=C(SC(F)(F)F)O1)C1=NN=N[N-]1	REAL250004625415	1	24	-1.0	-43.93	247.07	5.17	-38.76
CN(C(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL250004625416	0	41	-1.0	-56.72	314.29	7.64	-49.08
CN(C(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL250004625416	1	41	-1.0	-56.79	314.16	7.67	-49.12
CN(C(=O)C1=CSC2=CC(Cl)=CN=C12)C1=NN=N[N-]1	REAL250004625417	0	25	-1.0	-54.62	250.90	5.02	-49.60
CN(C(=O)C1=CSC2=CC(Cl)=CN=C12)C1=N[N-]N=N1	REAL250004625417	1	25	-1.0	-54.51	251.04	5.01	-49.50
CN(C(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL250004625418	0	30	-1.0	-46.53	266.77	6.18	-40.35
CN(C(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL250004625418	1	30	-1.0	-46.49	266.91	6.15	-40.34
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004625419	0	35	-1.0	-43.97	278.94	5.98	-37.99
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004625419	1	35	-1.0	-44.07	278.80	5.99	-38.08
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625420	0	28	-1.0	-56.08	258.66	6.58	-49.50
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625420	1	28	-1.0	-56.01	258.80	6.58	-49.43
CN(C(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004625421	0	30	-1.0	-53.03	278.83	-0.13	-53.16
CN(C(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004625421	1	30	-1.0	-52.94	278.97	-0.15	-53.09
CCNC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004625422	0	27	-1.0	-47.16	248.47	3.84	-43.32
CCNC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004625422	1	27	-1.0	-47.04	248.62	3.83	-43.21
CN(C(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004625423	0	26	-1.0	-42.32	235.86	2.76	-39.56
CN(C(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004625423	1	26	-1.0	-42.22	236.02	2.74	-39.48
CN(C(=O)C1(NC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004625424	0	32	-1.0	-49.86	270.16	5.67	-44.19
CN(C(=O)C1(NC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004625424	1	32	-1.0	-49.92	270.02	5.69	-44.23
CN(C(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625425	0	32	-1.0	-47.62	290.85	7.74	-39.88
CN(C(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625425	1	32	-1.0	-47.67	290.72	7.77	-39.90
CN(C(=O)CC1=NC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL250004625426	0	32	-1.0	-54.10	279.31	5.45	-48.65
CN(C(=O)CC1=NC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL250004625426	1	32	-1.0	-54.17	279.17	5.47	-48.70
CN(C(=O)C1CCC2=NC=NC=C2C1)C1=N[N-]N=N1	REAL250004625427	0	31	-1.0	-46.38	254.29	5.37	-41.01
CN(C(=O)C1CCC2=NC=NC=C2C1)C1=NN=N[N-]1	REAL250004625427	1	31	-1.0	-46.43	254.16	5.40	-41.03
CN(C(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=NN=N[N-]1	REAL250004625428	0	26	-1.0	-45.59	255.59	6.75	-38.84
CN(C(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=N[N-]N=N1	REAL250004625428	1	26	-1.0	-45.52	255.73	6.73	-38.79
CN(C(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004625429	0	29	-1.0	-54.09	257.47	5.80	-48.29
CN(C(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004625429	1	29	-1.0	-54.01	257.60	5.78	-48.23
CC1CCN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C1	REAL250004625430	0	33	-1.0	-47.95	267.56	4.97	-42.98
CC1CCN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C1	REAL250004625430	1	33	-1.0	-47.87	267.70	4.94	-42.93
CN(C(=O)CC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004625432	0	34	-1.0	-49.67	283.57	6.60	-43.07
CN(C(=O)CC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004625432	1	34	-1.0	-49.74	283.43	6.63	-43.11
CSC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625433	0	36	-1.0	-50.52	312.97	8.58	-41.94
CSC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625433	1	36	-1.0	-50.62	312.84	8.61	-42.01
CN(C(=O)CN1N=NN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL250004625434	0	28	-1.0	-51.91	263.88	3.83	-48.08
CN(C(=O)CN1N=NN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL250004625434	1	28	-1.0	-51.99	263.74	3.84	-48.15
CN(C(=O)C1=COC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004625435	0	26	-1.0	-52.51	238.63	5.53	-46.98
CN(C(=O)C1=COC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004625435	1	26	-1.0	-52.42	238.77	5.50	-46.92
CCOC(=O)C1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625436	0	41	-1.0	-48.09	319.20	7.57	-40.52
CCOC(=O)C1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625436	1	41	-1.0	-48.15	319.06	7.59	-40.56
CN(C(=O)C1(C2=CC=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004625437	0	33	-1.0	-54.71	269.24	7.13	-47.58
CN(C(=O)C1(C2=CC=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004625437	1	33	-1.0	-54.79	269.11	7.16	-47.63
CN(C(=O)CCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625438	0	37	-1.0	-54.93	301.73	6.59	-48.34
CN(C(=O)CCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625438	1	37	-1.0	-54.99	301.59	6.62	-48.37
CN(C(=O)CN1C=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004625439	0	30	-1.0	-52.01	269.30	7.48	-44.53
CN(C(=O)CN1C=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004625439	1	30	-1.0	-51.93	269.43	7.46	-44.47
CC(C)=CCCC(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004625440	0	38	-1.0	-46.69	299.98	7.77	-38.92
CC(C)=CCCC(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004625440	1	38	-1.0	-46.78	299.85	7.78	-39.00
CN(C(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=NN=N[N-]1	REAL250004625441	0	34	-1.0	-47.54	278.62	6.14	-41.40
CN(C(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=N[N-]N=N1	REAL250004625441	1	34	-1.0	-47.48	278.77	6.14	-41.34
CN(C(=O)COCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625442	0	35	-1.0	-58.89	293.85	5.76	-53.13
CN(C(=O)COCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625442	1	35	-1.0	-58.98	293.72	5.79	-53.19
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)N=N1	REAL250004625443	0	34	-1.0	-54.77	290.38	6.26	-48.51
CC1=CC=C(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)N=N1	REAL250004625443	1	34	-1.0	-54.69	290.52	6.26	-48.43
CN(C(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004625444	0	28	-1.0	-54.23	243.36	5.40	-48.83
CN(C(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004625444	1	28	-1.0	-54.15	243.50	5.39	-48.76
CCCC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625445	0	41	-1.0	-49.08	337.15	9.78	-39.30
CCCC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625445	1	41	-1.0	-49.21	337.01	9.81	-39.40
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004625446	0	32	-1.0	-48.48	274.53	6.81	-41.67
CN(C(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004625446	1	32	-1.0	-48.43	274.67	6.79	-41.64
CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625447	0	40	-1.0	-48.30	322.16	4.02	-44.28
CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625447	1	40	-1.0	-48.41	322.02	4.04	-44.37
CN(C(=O)C1(C)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625448	0	33	-1.0	-50.83	260.27	7.10	-43.73
CN(C(=O)C1(C)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625448	1	33	-1.0	-50.76	260.40	7.08	-43.68
CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=N[N-]N=N1	REAL250004625449	0	34	-1.0	-63.50	278.67	6.35	-57.15
CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=NN=N[N-]1	REAL250004625449	1	34	-1.0	-63.59	278.54	6.36	-57.23
COC(=O)C12CC(C(=O)N(C)C3=N[N-]N=N3)(C1)C2	REAL250004625450	0	30	-1.0	-47.76	258.00	5.29	-42.47
COC(=O)C12CC(C(=O)N(C)C3=NN=N[N-]3)(C1)C2	REAL250004625450	1	30	-1.0	-47.80	257.86	5.32	-42.48
CN(C(=O)C1=CC=CC2=CC(O)=CC=C21)C1=NN=N[N-]1	REAL250004625451	0	30	-1.0	-52.57	259.34	4.36	-48.21
CN(C(=O)C1=CC=CC2=CC(O)=CC=C21)C1=N[N-]N=N1	REAL250004625451	1	30	-1.0	-52.47	259.48	4.34	-48.13
CN(C(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625452	0	29	-1.0	-56.19	251.17	3.78	-52.41
CN(C(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625452	1	29	-1.0	-56.13	251.33	3.78	-52.35
CN(C(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=NN=N[N-]1	REAL250004625453	0	30	-1.0	-55.39	260.23	6.13	-49.26
CN(C(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=N[N-]N=N1	REAL250004625453	1	30	-1.0	-55.30	260.37	6.12	-49.18
CN(C(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004625454	0	28	-1.0	-57.35	265.21	6.83	-50.52
CN(C(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004625454	1	28	-1.0	-57.40	265.07	6.87	-50.53
CN(C(=O)C1COC2=CC=C(O)C=C2O1)C1=N[N-]N=N1	REAL250004625455	0	30	-1.0	-49.17	260.61	2.34	-46.83
CN(C(=O)C1COC2=CC=C(O)C=C2O1)C1=NN=N[N-]1	REAL250004625455	1	30	-1.0	-49.21	260.48	2.35	-46.86
CN(C(=O)C(C)(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625456	0	37	-1.0	-33.54	281.57	6.18	-27.36
CN(C(=O)C(C)(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625456	1	37	-1.0	-33.55	281.42	6.20	-27.35
CC(C)C(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625457	0	40	-1.0	-51.19	312.06	6.80	-44.39
CC(C)C(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625457	1	40	-1.0	-51.25	311.92	6.81	-44.44
COC(=O)C1=C(COCC(=O)N(C)C2=NN=N[N-]2)OC=N1	REAL250004625458	0	32	-1.0	-58.55	292.73	1.67	-56.88
COC(=O)C1=C(COCC(=O)N(C)C2=N[N-]N=N2)OC=N1	REAL250004625458	1	32	-1.0	-58.45	292.87	1.64	-56.81
CN(C(=O)CN1CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL250004625461	0	32	-1.0	-58.65	279.35	6.03	-52.62
CN(C(=O)CN1CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL250004625461	1	32	-1.0	-58.71	279.21	6.04	-52.67
CC1=C(C2=CC=CC=C2)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625462	0	33	-1.0	-46.36	291.31	8.16	-38.20
CC1=C(C2=CC=CC=C2)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625462	1	33	-1.0	-46.24	291.46	8.16	-38.08
CN(C(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL250004625463	0	25	-1.0	-43.41	232.50	3.93	-39.48
CN(C(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL250004625463	1	25	-1.0	-43.51	232.36	3.94	-39.57
CN(C(=O)C1=C2OCCOC2=CS1)C1=NN=N[N-]1	REAL250004625464	0	26	-1.0	-51.86	235.07	3.25	-48.61
CN(C(=O)C1=C2OCCOC2=CS1)C1=N[N-]N=N1	REAL250004625464	1	26	-1.0	-51.76	235.22	3.25	-48.51
CN(C(=O)CCCC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004625465	0	32	-1.0	-50.32	283.39	7.61	-42.71
CN(C(=O)CCCC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004625465	1	32	-1.0	-50.41	283.25	7.64	-42.77
CN(C(=O)C1=CN=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004625466	0	25	-1.0	-48.84	232.93	4.04	-44.80
CN(C(=O)C1=CN=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004625466	1	25	-1.0	-48.82	233.08	4.03	-44.79
CN(C(=O)C1CCCCC1N1C=CC=N1)C1=NN=N[N-]1	REAL250004625467	0	36	-1.0	-48.00	273.72	6.72	-41.28
CN(C(=O)C1CCCCC1N1C=CC=N1)C1=N[N-]N=N1	REAL250004625467	1	36	-1.0	-47.90	273.85	6.69	-41.21
CC(C)C1CCC(C)CC1C(=O)N(C)C1=N[N-]N=N1	REAL250004625468	0	41	-1.0	-48.69	301.62	7.45	-41.24
CC(C)C1CCC(C)CC1C(=O)N(C)C1=NN=N[N-]1	REAL250004625468	1	41	-1.0	-48.69	301.41	7.48	-41.21
CC(C(=O)N(C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004625469	0	39	-1.0	-47.46	304.47	5.04	-42.42
CC(C(=O)N(C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004625469	1	39	-1.0	-47.52	304.34	5.06	-42.46
CC(CC1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625470	0	33	-1.0	-47.62	282.60	7.35	-40.27
CC(CC1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625470	1	33	-1.0	-47.67	282.47	7.38	-40.29
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL250004625471	0	31	-1.0	-51.98	274.11	7.07	-44.91
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL250004625471	1	31	-1.0	-51.86	274.25	7.06	-44.80
CN(C(=O)CCCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625472	0	40	-1.0	-48.30	323.23	7.37	-40.93
CN(C(=O)CCCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625472	1	40	-1.0	-48.45	323.09	7.40	-41.05
C[C@H](NC(=O)C1=CC=CO1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625473	0	30	-1.0	-46.40	263.08	2.32	-44.08
C[C@H](NC(=O)C1=CC=CO1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625473	1	30	-1.0	-46.46	262.95	2.35	-44.11
CN(C(=O)C1=NN(CCF)C(=O)C=C1)C1=N[N-]N=N1	REAL250004625474	0	28	-1.0	-42.09	253.14	3.75	-38.34
CN(C(=O)C1=NN(CCF)C(=O)C=C1)C1=NN=N[N-]1	REAL250004625474	1	28	-1.0	-42.14	253.00	3.77	-38.37
CN(C(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004625475	0	29	-1.0	-42.82	264.58	5.64	-37.18
CN(C(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004625475	1	29	-1.0	-42.88	264.44	5.66	-37.22
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004625476	0	35	-1.0	-48.80	279.13	7.24	-41.56
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004625476	1	35	-1.0	-48.69	279.27	7.25	-41.44
CN(C(=O)C1=CC=C2OCCOC2=N1)C1=NN=N[N-]1	REAL250004625477	0	28	-1.0	-48.62	243.76	2.56	-46.06
CN(C(=O)C1=CC=C2OCCOC2=N1)C1=N[N-]N=N1	REAL250004625477	1	28	-1.0	-48.56	243.90	2.56	-46.00
CN(C(=O)CCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004625478	0	32	-1.0	-49.77	279.17	7.62	-42.15
CN(C(=O)CCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004625478	1	32	-1.0	-49.84	279.03	7.66	-42.18
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N1C	REAL250004625479	0	29	-1.0	-59.54	259.47	4.21	-55.33
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N1C	REAL250004625479	1	29	-1.0	-59.60	259.34	4.24	-55.36
CN(C(=O)CC1OCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625480	0	31	-1.0	-51.28	264.01	5.88	-45.40
CN(C(=O)CC1OCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625480	1	31	-1.0	-51.36	263.87	5.90	-45.46
COC1=CC=C2CCCC(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004625481	0	37	-1.0	-53.88	296.22	6.73	-47.15
COC1=CC=C2CCCC(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004625481	1	37	-1.0	-53.96	296.09	6.75	-47.21
COC1=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004625482	0	30	-1.0	-49.42	260.80	3.96	-45.46
COC1=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004625482	1	30	-1.0	-49.36	260.94	3.94	-45.42
CN(C(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL250004625483	0	38	-1.0	-46.54	283.95	7.35	-39.19
CN(C(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL250004625483	1	38	-1.0	-46.64	283.82	7.38	-39.26
CN(C(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL250004625484	0	34	-1.0	-56.96	278.59	6.64	-50.32
CN(C(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL250004625484	1	34	-1.0	-56.81	278.74	6.62	-50.19
CN(C(=O)C1=CN=C(C2CC2)N=C1N)C1=NN=N[N-]1	REAL250004625485	0	30	-1.0	-42.14	258.22	3.57	-38.57
CN(C(=O)C1=CN=C(C2CC2)N=C1N)C1=N[N-]N=N1	REAL250004625485	1	30	-1.0	-42.09	258.34	3.54	-38.55
CN(C(=O)C1CCN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625486	0	35	-1.0	-51.01	278.34	5.51	-45.50
CN(C(=O)C1CCN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625486	1	35	-1.0	-50.92	278.47	5.49	-45.43
CN(C)C1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004625487	0	30	-1.0	-42.23	269.99	4.17	-38.06
CN(C)C1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004625487	1	30	-1.0	-42.17	270.14	4.16	-38.01
CN(C(=O)CC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004625488	0	25	-1.0	-51.12	238.66	4.56	-46.56
CN(C(=O)CC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004625488	1	25	-1.0	-51.01	238.79	4.52	-46.49
CN(C(=O)C1=CC=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL250004625489	0	29	-1.0	-52.73	251.85	2.44	-50.29
CN(C(=O)C1=CC=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL250004625489	1	29	-1.0	-52.64	252.00	2.45	-50.19
CC(=NO)C1CC(C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004625490	0	36	-1.0	-46.05	282.97	3.87	-42.18
CC(=NO)C1CC(C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004625490	1	36	-1.0	-46.14	282.84	3.90	-42.24
CC1=CN=C2C=C(C(=O)N(C)C3=N[N-]N=N3)C=CN12	REAL250004625491	0	29	-1.0	-48.50	258.24	6.25	-42.25
CC1=CN=C2C=C(C(=O)N(C)C3=NN=N[N-]3)C=CN12	REAL250004625491	1	29	-1.0	-48.61	258.11	6.24	-42.37
CN(C(=O)C1(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004625492	0	33	-1.0	-50.56	258.40	1.54	-49.02
CN(C(=O)C1(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004625492	1	33	-1.0	-50.63	258.26	1.54	-49.09
CN(C(=O)C1=C(C(F)(F)F)N=CO1)C1=NN=N[N-]1	REAL250004625493	0	22	-1.0	-46.89	217.20	1.19	-45.70
CN(C(=O)C1=C(C(F)(F)F)N=CO1)C1=N[N-]N=N1	REAL250004625493	1	22	-1.0	-46.84	217.34	1.15	-45.69
CC1CC2=CNN=C2C(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004625494	0	33	-1.0	-54.85	269.47	4.43	-50.42
CC1CC2=CNN=C2C(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004625494	1	33	-1.0	-54.92	269.33	4.45	-50.47
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCO1)C1=N[N-]N=N1	REAL250004625495	0	39	-1.0	-46.80	305.73	5.82	-40.98
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCO1)C1=NN=N[N-]1	REAL250004625495	1	39	-1.0	-46.87	305.59	5.85	-41.02
CN(C(=O)CC(N1C=CN=C1)C(F)(F)F)C1=N[N-]N=N1	REAL250004625496	0	29	-1.0	-47.44	264.01	6.26	-41.18
CN(C(=O)CC(N1C=CN=C1)C(F)(F)F)C1=NN=N[N-]1	REAL250004625496	1	29	-1.0	-47.52	263.87	6.28	-41.24
CN(C(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=NN=N[N-]1	REAL250004625497	0	31	-1.0	-51.92	266.26	5.68	-46.24
CN(C(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=N[N-]N=N1	REAL250004625497	1	31	-1.0	-51.84	266.40	5.67	-46.17
CN(C(=O)C1=CSC(Br)=N1)C1=NN=N[N-]1	REAL250004625498	0	19	-1.0	-45.09	211.06	3.52	-41.57
CN(C(=O)C1=CSC(Br)=N1)C1=N[N-]N=N1	REAL250004625498	1	19	-1.0	-45.01	211.20	3.50	-41.51
CC(C)CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CN=C1	REAL250004625499	0	35	-1.0	-47.58	288.60	7.30	-40.28
CC(C)CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CN=C1	REAL250004625499	1	35	-1.0	-47.64	288.46	7.33	-40.31
CN(C(=O)C1=NNC(C2CCCN2C)=C1)C1=N[N-]N=N1	REAL250004625500	0	35	-1.0	-46.85	288.83	2.53	-44.32
CN(C(=O)C1=NNC(C2CCCN2C)=C1)C1=NN=N[N-]1	REAL250004625500	1	35	-1.0	-46.93	288.69	2.55	-44.38
CN(C(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL250004625501	0	26	-1.0	-48.21	238.71	3.79	-44.42
CN(C(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL250004625501	1	26	-1.0	-48.33	238.56	3.79	-44.54
CN(C(=O)C1(C)CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004625502	0	34	-1.0	-45.76	287.25	6.11	-39.65
CN(C(=O)C1(C)CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004625502	1	34	-1.0	-45.86	287.11	6.14	-39.72
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004625503	0	34	-1.0	-46.77	291.91	5.25	-41.52
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004625503	1	34	-1.0	-46.85	291.80	5.27	-41.58
CN(C(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL250004625504	0	38	-1.0	-44.73	300.08	6.59	-38.14
CN(C(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL250004625504	1	38	-1.0	-44.79	299.95	6.62	-38.17
CC1=CC=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)N21	REAL250004625505	0	29	-1.0	-49.64	237.74	5.84	-43.80
CC1=CC=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)N21	REAL250004625505	1	29	-1.0	-49.55	237.88	5.82	-43.73
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL250004625506	0	32	-1.0	-46.61	276.39	4.66	-41.95
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL250004625506	1	32	-1.0	-46.51	276.53	4.66	-41.85
CC(CC(=O)N(C)C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004625507	0	38	-1.0	-53.09	296.39	6.58	-46.51
CC(CC(=O)N(C)C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004625507	1	38	-1.0	-53.18	296.25	6.60	-46.58
CCN1C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C21	REAL250004625508	0	33	-1.0	-49.73	282.84	4.75	-44.98
CCN1C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C21	REAL250004625508	1	33	-1.0	-49.66	282.98	4.76	-44.90
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL250004625509	0	34	-1.0	-45.77	284.88	5.08	-40.69
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL250004625509	1	34	-1.0	-45.69	285.02	5.08	-40.61
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL250004625510	0	33	-1.0	-54.05	262.79	6.53	-47.52
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL250004625510	1	33	-1.0	-54.13	262.66	6.55	-47.58
CN(C(=O)C1=CC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL250004625511	0	26	-1.0	-53.50	244.72	5.92	-47.58
CN(C(=O)C1=CC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL250004625511	1	26	-1.0	-53.59	244.58	5.92	-47.67
CN(C(=O)CC1OCC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004625512	0	31	-1.0	-49.21	281.08	6.42	-42.79
CN(C(=O)CC1OCC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004625512	1	31	-1.0	-49.28	280.95	6.45	-42.83
CN(C(=O)C1=CC=C(OCC(F)(F)F)O1)C1=N[N-]N=N1	REAL250004625513	0	27	-1.0	-44.12	260.33	5.07	-39.05
CN(C(=O)C1=CC=C(OCC(F)(F)F)O1)C1=NN=N[N-]1	REAL250004625513	1	27	-1.0	-44.22	260.18	5.09	-39.13
CN(C(=O)C1=CSC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL250004625514	0	34	-1.0	-46.16	287.28	5.43	-40.73
CN(C(=O)C1=CSC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004625514	1	34	-1.0	-46.15	287.42	5.41	-40.74
CN(C(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=NN=N[N-]1	REAL250004625515	0	30	-1.0	-45.31	271.87	3.78	-41.53
CN(C(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=N[N-]N=N1	REAL250004625515	1	30	-1.0	-45.27	272.01	3.77	-41.50
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625516	0	43	-1.0	-33.18	318.29	7.40	-25.78
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625516	1	43	-1.0	-33.29	317.85	7.44	-25.85
CN(C(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625517	0	28	-1.0	-47.52	244.14	5.42	-42.10
CN(C(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625517	1	28	-1.0	-47.42	244.27	5.42	-42.00
CN(C(=O)C1=CC=NC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL250004625518	0	26	-1.0	-48.63	235.52	1.01	-47.62
CN(C(=O)C1=CC=NC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL250004625518	1	26	-1.0	-48.51	235.66	1.00	-47.51
CN(C(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004625519	0	31	-1.0	-47.46	272.02	5.31	-42.15
CN(C(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004625519	1	31	-1.0	-47.38	272.16	5.30	-42.08
CN(C(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=NN=N[N-]1	REAL250004625520	0	28	-1.0	-46.84	253.57	7.80	-39.04
CN(C(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=N[N-]N=N1	REAL250004625520	1	28	-1.0	-46.77	253.72	7.78	-38.99
CN(C(=O)C1=C2N=CSC2=CC=C1)C1=NN=N[N-]1	REAL250004625521	0	25	-1.0	-56.97	235.94	4.39	-52.58
CN(C(=O)C1=C2N=CSC2=CC=C1)C1=N[N-]N=N1	REAL250004625521	1	25	-1.0	-56.93	236.09	4.38	-52.55
CN(C(=O)C1=COC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004625522	0	26	-1.0	-53.74	246.63	0.57	-53.17
CN(C(=O)C1=COC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004625522	1	26	-1.0	-53.81	246.48	0.58	-53.23
CN(C(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625523	0	34	-1.0	-49.17	287.15	7.88	-41.29
CN(C(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625523	1	34	-1.0	-49.25	287.04	7.89	-41.36
CN(C(=O)C1=COC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004625524	0	26	-1.0	-51.21	248.95	5.97	-45.24
CN(C(=O)C1=COC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004625524	1	26	-1.0	-51.15	249.08	5.94	-45.21
CN(C(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004625525	0	30	-1.0	-50.79	261.94	8.19	-42.60
CN(C(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004625525	1	30	-1.0	-50.71	262.09	8.17	-42.54
CN(C(=O)C1=CC=CC=C1NCC1=CC=CO1)C1=NN=N[N-]1	REAL250004625526	0	35	-1.0	-50.67	297.88	5.95	-44.72
CN(C(=O)C1=CC=CC=C1NCC1=CC=CO1)C1=N[N-]N=N1	REAL250004625526	1	35	-1.0	-50.60	298.02	5.94	-44.66
CNC1=CC(Cl)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625527	0	28	-1.0	-43.52	252.73	4.50	-39.02
CNC1=CC(Cl)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625527	1	28	-1.0	-43.47	252.87	4.49	-38.98
CN(C(=O)C1=CC=NC(NC2CCC2)=C1)C1=NN=N[N-]1	REAL250004625528	0	34	-1.0	-46.48	280.47	5.02	-41.46
CN(C(=O)C1=CC=NC(NC2CCC2)=C1)C1=N[N-]N=N1	REAL250004625528	1	34	-1.0	-46.39	280.61	5.00	-41.39
CN(C(=O)C1CCC(C(C)(C)O)CC1)C1=N[N-]N=N1	REAL250004625529	0	39	-1.0	-32.64	288.36	3.91	-28.73
CN(C(=O)C1CCC(C(C)(C)O)CC1)C1=NN=N[N-]1	REAL250004625529	1	39	-1.0	-32.69	288.24	3.93	-28.76
CN(C(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004625530	0	28	-1.0	-53.60	256.86	6.38	-47.22
CN(C(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004625530	1	28	-1.0	-53.66	256.73	6.40	-47.26
CN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL250004625531	0	42	-1.0	-44.59	322.70	4.59	-40.00
CN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL250004625531	1	42	-1.0	-44.67	322.56	4.61	-40.06
CN(C(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004625532	0	33	-1.0	-34.29	264.57	7.78	-26.51
CN(C(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004625532	1	33	-1.0	-34.34	264.38	7.79	-26.55
CC(COCC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004625533	0	36	-1.0	-50.23	302.66	7.65	-42.58
CC(COCC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004625533	1	36	-1.0	-50.32	302.52	7.67	-42.65
CN(C(=O)COCCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004625534	0	33	-1.0	-50.65	292.25	7.19	-43.46
CN(C(=O)COCCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004625534	1	33	-1.0	-50.69	292.12	7.22	-43.47
CN(C(=O)CN1N=C2CCCCN2C1=O)C1=N[N-]N=N1	REAL250004625535	0	33	-1.0	-59.46	280.36	5.29	-54.17
CN(C(=O)CN1N=C2CCCCN2C1=O)C1=NN=N[N-]1	REAL250004625535	1	33	-1.0	-59.51	280.23	5.31	-54.20
CN(C(=O)C1=CC(F)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004625536	0	28	-1.0	-48.62	249.30	5.47	-43.15
CN(C(=O)C1=CC(F)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004625536	1	28	-1.0	-48.60	249.44	5.45	-43.15
CN(C(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=NN=N[N-]1	REAL250004625537	0	26	-1.0	-50.36	244.34	3.20	-47.16
CN(C(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=N[N-]N=N1	REAL250004625537	1	26	-1.0	-50.30	244.48	3.17	-47.13
CC1=NN=NN1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625538	0	31	-1.0	-51.18	269.37	4.94	-46.24
CC1=NN=NN1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625538	1	31	-1.0	-51.13	269.51	4.95	-46.18
CC1=NN(CC2CC2)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625539	0	39	-1.0	-51.55	324.22	7.14	-44.41
CC1=NN(CC2CC2)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625539	1	39	-1.0	-51.59	324.08	7.16	-44.43
CN(C(=O)CCCC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004625540	0	42	-1.0	-49.77	335.46	10.06	-39.71
CN(C(=O)CCCC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004625540	1	42	-1.0	-49.86	335.32	10.08	-39.78
CN(C(=O)C1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL250004625541	0	32	-1.0	-54.46	262.25	5.79	-48.67
CN(C(=O)C1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL250004625541	1	32	-1.0	-54.40	262.40	5.78	-48.62
CN(C(=O)C1(N2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL250004625542	0	34	-1.0	-39.42	263.64	5.61	-33.81
CN(C(=O)C1(N2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL250004625542	1	34	-1.0	-39.36	263.77	5.57	-33.79
CN(C(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL250004625543	0	33	-1.0	-50.97	274.60	7.42	-43.55
CN(C(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL250004625543	1	33	-1.0	-51.04	274.46	7.44	-43.60
CSC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625544	0	26	-1.0	-52.73	234.09	5.21	-47.52
CSC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625544	1	26	-1.0	-52.66	234.23	5.20	-47.46
CN(C(=O)C1=NSC=C1Br)C1=NN=N[N-]1	REAL250004625545	0	19	-1.0	-47.09	206.02	3.79	-43.30
CN(C(=O)C1=NSC=C1Br)C1=N[N-]N=N1	REAL250004625545	1	19	-1.0	-46.98	206.16	3.77	-43.21
CN(C(=O)C(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL250004625546	0	33	-1.0	-44.25	276.61	4.81	-39.44
CN(C(=O)C(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL250004625546	1	33	-1.0	-44.16	276.74	4.80	-39.36
CCC1=NC=CN1C(C)CC(=O)N(C)C1=N[N-]N=N1	REAL250004625547	0	35	-1.0	-44.83	288.19	6.45	-38.38
CCC1=NC=CN1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004625547	1	35	-1.0	-44.90	288.06	6.47	-38.43
CCCOC1=CC=NC(CC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625548	0	34	-1.0	-51.37	295.52	3.20	-48.17
CCCOC1=CC=NC(CC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625548	1	34	-1.0	-51.52	295.38	3.23	-48.29
CN(C(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=NN=N[N-]1	REAL250004625549	0	26	-1.0	-52.41	247.12	7.70	-44.71
CN(C(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=N[N-]N=N1	REAL250004625549	1	26	-1.0	-52.30	247.27	7.69	-44.61
CN(C(=O)CC1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL250004625550	0	33	-1.0	-58.37	272.87	6.29	-52.08
CN(C(=O)CC1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL250004625550	1	33	-1.0	-58.40	272.73	6.31	-52.09
CSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625551	0	26	-1.0	-46.52	237.12	5.18	-41.34
CSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625551	1	26	-1.0	-46.48	237.26	5.16	-41.32
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004625552	0	29	-1.0	-46.90	257.61	6.74	-40.16
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004625552	1	29	-1.0	-46.96	257.48	6.77	-40.19
COC(CC(=O)N(C)C1=N[N-]N=N1)C(F)(F)F	REAL250004625553	0	26	-1.0	-44.29	237.86	3.83	-40.46
COC(CC(=O)N(C)C1=NN=N[N-]1)C(F)(F)F	REAL250004625553	1	26	-1.0	-44.41	237.72	3.86	-40.55
CN(C(=O)CC1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004625554	0	40	-1.0	-48.07	283.65	7.73	-40.34
CN(C(=O)CC1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004625554	1	40	-1.0	-48.16	283.51	7.75	-40.41
CN(C(=O)C12CC3CC(C(=O)N1)C2C3)C1=N[N-]N=N1	REAL250004625555	0	32	-1.0	-37.61	246.18	3.59	-34.02
CN(C(=O)C12CC3CC(C(=O)N1)C2C3)C1=NN=N[N-]1	REAL250004625555	1	32	-1.0	-37.63	246.04	3.62	-34.01
CN(C(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625556	0	37	-1.0	-53.23	305.86	3.45	-49.78
CN(C(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625556	1	37	-1.0	-53.31	305.73	3.48	-49.83
CN(C(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL250004625557	0	26	-1.0	-65.31	242.56	0.78	-64.53
CN(C(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL250004625557	1	26	-1.0	-65.27	242.70	0.76	-64.51
CC1=CC=CC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N2C)=C1	REAL250004625558	0	37	-1.0	-48.04	299.08	8.26	-39.78
CC1=CC=CC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N2C)=C1	REAL250004625558	1	37	-1.0	-47.97	299.23	8.26	-39.71
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004625559	0	33	-1.0	-48.08	274.27	4.22	-43.86
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004625559	1	33	-1.0	-48.17	274.14	4.23	-43.94
CN(C(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=NN=N[N-]1	REAL250004625560	0	31	-1.0	-50.86	266.25	5.07	-45.79
CN(C(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=N[N-]N=N1	REAL250004625560	1	31	-1.0	-50.80	266.39	5.07	-45.73
CN(C(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=NN=N[N-]1	REAL250004625561	0	31	-1.0	-53.76	266.11	5.08	-48.68
CN(C(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=N[N-]N=N1	REAL250004625561	1	31	-1.0	-53.66	266.25	5.08	-48.58
CN(C(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL250004625562	0	29	-1.0	-49.31	269.47	5.07	-44.24
CN(C(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL250004625562	1	29	-1.0	-49.40	269.34	5.10	-44.30
CN(C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625563	0	41	-1.0	-54.05	322.12	7.46	-46.59
CN(C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625563	1	41	-1.0	-54.11	321.99	7.48	-46.63
CN(C(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004625564	0	30	-1.0	-45.19	259.85	3.26	-41.93
CN(C(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004625564	1	30	-1.0	-45.13	259.99	3.26	-41.87
CN(C(=O)CC12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL250004625565	0	33	-1.0	-42.91	266.66	6.72	-36.19
CN(C(=O)CC12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL250004625565	1	33	-1.0	-42.97	266.53	6.74	-36.23
CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=N[N-]N=N1	REAL250004625566	0	39	-1.0	-32.00	292.98	8.07	-23.93
CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=NN=N[N-]1	REAL250004625566	1	39	-1.0	-32.01	292.83	8.10	-23.91
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625567	0	37	-1.0	-50.67	307.68	7.41	-43.26
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625567	1	37	-1.0	-50.74	307.55	7.43	-43.31
CN(C(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=NN=N[N-]1	REAL250004625568	0	26	-1.0	-53.96	243.36	5.20	-48.76
CN(C(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=N[N-]N=N1	REAL250004625568	1	26	-1.0	-53.91	243.51	5.18	-48.73
CC(=O)NC(CCC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625569	0	38	-1.0	-57.11	299.56	5.32	-51.79
CC(=O)NC(CCC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625569	1	38	-1.0	-57.21	299.42	5.34	-51.87
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C#N	REAL250004625570	0	28	-1.0	-46.61	252.67	4.64	-41.97
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C#N	REAL250004625570	1	28	-1.0	-46.57	252.81	4.64	-41.93
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)N=CN2C=C1	REAL250004625571	0	29	-1.0	-58.85	251.85	7.86	-50.99
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)N=CN2C=C1	REAL250004625571	1	29	-1.0	-58.78	252.00	7.84	-50.94
CN(C(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL250004625572	0	25	-1.0	-47.62	250.82	4.77	-42.85
CN(C(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL250004625572	1	25	-1.0	-47.55	250.97	4.76	-42.79
CN(C(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL250004625573	0	28	-1.0	-47.63	248.28	5.44	-42.19
CN(C(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL250004625573	1	28	-1.0	-47.52	248.41	5.43	-42.09
CN(C(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL250004625574	0	29	-1.0	-50.19	262.49	5.05	-45.14
CN(C(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL250004625574	1	29	-1.0	-50.11	262.62	5.02	-45.09
CN(C(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004625575	0	25	-1.0	-47.52	250.10	4.84	-42.68
CN(C(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004625575	1	25	-1.0	-47.42	250.23	4.82	-42.60
CN(C(=O)C1=CN=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625576	0	29	-1.0	-44.29	252.37	4.59	-39.70
CN(C(=O)C1=CN=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625576	1	29	-1.0	-44.23	252.52	4.56	-39.67
CN(C(=O)C(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004625577	0	28	-1.0	-30.14	224.61	4.12	-26.02
CN(C(=O)C(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004625577	1	28	-1.0	-30.19	224.46	4.14	-26.05
CN(C(=O)C1COCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625578	0	34	-1.0	-54.96	268.35	5.55	-49.41
CN(C(=O)C1COCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625578	1	34	-1.0	-55.06	268.24	5.56	-49.50
COC1=NOC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625579	0	29	-1.0	-46.60	259.19	2.35	-44.25
COC1=NOC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625579	1	29	-1.0	-46.73	259.06	2.38	-44.35
CN(C(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL250004625580	0	39	-1.0	-44.40	304.00	6.97	-37.43
CN(C(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL250004625580	1	39	-1.0	-44.43	303.87	6.97	-37.46
CN(C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL250004625581	0	43	-1.0	-52.90	323.63	7.91	-44.99
CN(C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL250004625581	1	43	-1.0	-52.93	323.50	7.92	-45.01
CN(C(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL250004625582	0	38	-1.0	-51.62	309.70	7.01	-44.61
CN(C(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL250004625582	1	38	-1.0	-51.68	309.56	7.02	-44.66
C=C(C)CC(NC(C)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004625583	0	33	-1.0	-37.47	263.46	3.14	-34.33
C=C(C)CC(NC(C)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004625583	1	33	-1.0	-37.53	263.37	3.17	-34.36
COC1(C(=O)N(C)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004625584	0	33	-1.0	-42.98	255.66	4.35	-38.63
COC1(C(=O)N(C)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004625584	1	33	-1.0	-43.05	255.52	4.37	-38.68
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL250004625585	0	34	-1.0	-55.23	285.18	7.85	-47.38
CN(C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL250004625585	1	34	-1.0	-55.16	285.33	7.82	-47.34
CCCCCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004625586	0	35	-1.0	-48.39	293.10	5.70	-42.69
CCCCCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004625586	1	35	-1.0	-48.45	292.95	5.71	-42.74
CC(C)[C@H](NCC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004625587	0	33	-1.0	-50.45	269.79	3.32	-47.13
CC(C)[C@H](NCC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004625587	1	33	-1.0	-50.56	269.66	3.32	-47.24
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL250004625588	0	29	-1.0	-40.48	267.36	6.29	-34.19
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL250004625588	1	29	-1.0	-40.41	267.50	6.28	-34.13
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004625589	0	27	-1.0	-47.59	249.42	5.48	-42.11
CC1=CC([N+](=O)[O-])=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004625589	1	27	-1.0	-47.52	249.55	5.46	-42.06
CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL250004625590	0	41	-1.0	-46.32	297.04	7.13	-39.19
CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL250004625590	1	41	-1.0	-46.44	296.90	7.15	-39.29
CN(C(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL250004625591	0	31	-1.0	-50.62	254.93	5.04	-45.58
CN(C(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL250004625591	1	31	-1.0	-50.56	255.06	5.03	-45.53
CN(C(=O)C1=C(C2CCC2)C=NN1C)C1=NN=N[N-]1	REAL250004625592	0	33	-1.0	-44.96	279.52	5.54	-39.42
CN(C(=O)C1=C(C2CCC2)C=NN1C)C1=N[N-]N=N1	REAL250004625592	1	33	-1.0	-44.90	279.66	5.53	-39.37
C[C@@H](C(=O)N(C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004625593	0	39	-1.0	-36.87	303.77	5.33	-31.54
C[C@@H](C(=O)N(C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004625593	1	39	-1.0	-36.92	303.65	5.34	-31.58
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)O1	REAL250004625594	0	29	-1.0	-44.14	257.91	4.56	-39.58
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)O1	REAL250004625594	1	29	-1.0	-44.20	257.77	4.57	-39.63
CN(C(=O)C1CCN1C1CCCC1)C1=N[N-]N=N1	REAL250004625595	0	35	-1.0	-50.87	273.72	3.70	-47.17
CN(C(=O)C1CCN1C1CCCC1)C1=NN=N[N-]1	REAL250004625595	1	35	-1.0	-50.94	273.58	3.73	-47.21
CN(C(=O)C1=C2N=C(CO)NC2=CC=C1)C1=NN=N[N-]1	REAL250004625596	0	30	-1.0	-60.18	263.25	1.22	-58.96
CN(C(=O)C1=C2N=C(CO)NC2=CC=C1)C1=N[N-]N=N1	REAL250004625596	1	30	-1.0	-60.19	263.38	1.20	-58.99
CN(C(=O)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625597	0	31	-1.0	-51.48	267.63	6.36	-45.12
CN(C(=O)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625597	1	31	-1.0	-51.40	267.76	6.32	-45.08
CC(=CC(=O)N(C)C1=N[N-]N=N1)CN1CCOCC1	REAL250004625598	0	36	-1.0	-46.83	286.65	2.71	-44.12
CC(=CC(=O)N(C)C1=NN=N[N-]1)CN1CCOCC1	REAL250004625598	1	36	-1.0	-46.93	286.51	2.73	-44.20
CN(C(=O)C1=NN=C(C2=CC=CO2)O1)C1=NN=N[N-]1	REAL250004625599	0	25	-1.0	-44.64	238.78	0.13	-44.51
CN(C(=O)C1=NN=C(C2=CC=CO2)O1)C1=N[N-]N=N1	REAL250004625599	1	25	-1.0	-44.58	238.93	0.10	-44.48
CN(C(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL250004625600	0	26	-1.0	-54.98	240.56	4.38	-50.60
CN(C(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL250004625600	1	26	-1.0	-55.03	240.41	4.39	-50.64
COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004625601	0	30	-1.0	-45.41	264.02	5.32	-40.09
COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004625601	1	30	-1.0	-45.49	263.89	5.35	-40.14
CC1=NNC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004625602	0	29	-1.0	-47.96	251.00	4.21	-43.75
CC1=NNC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004625602	1	29	-1.0	-47.83	251.15	4.21	-43.62
CN(C(=O)C1=C(F)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004625603	0	28	-1.0	-55.42	255.55	5.56	-49.86
CN(C(=O)C1=C(F)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004625603	1	28	-1.0	-55.36	255.69	5.54	-49.82
CN(C(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=NN=N[N-]1	REAL250004625604	0	29	-1.0	-49.98	262.77	0.07	-49.91
CN(C(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=N[N-]N=N1	REAL250004625604	1	29	-1.0	-49.91	262.91	0.06	-49.85
CN(C(=O)C1=CNC(=S)N1C1CC1)C1=NN=N[N-]1	REAL250004625605	0	28	-1.0	-49.54	244.16	5.17	-44.37
CN(C(=O)C1=CNC(=S)N1C1CC1)C1=N[N-]N=N1	REAL250004625605	1	28	-1.0	-49.45	244.27	5.15	-44.30
CN(C(=O)C=CC1=CC=C(C2OCCO2)O1)C1=N[N-]N=N1	REAL250004625606	0	33	-1.0	-50.18	291.38	4.73	-45.45
CN(C(=O)C=CC1=CC=C(C2OCCO2)O1)C1=NN=N[N-]1	REAL250004625606	1	33	-1.0	-50.27	291.23	4.73	-45.54
CN(C(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004625607	0	28	-1.0	-47.45	257.27	2.94	-44.51
CN(C(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004625607	1	28	-1.0	-47.32	257.41	2.92	-44.40
COCCCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C=CC1=O	REAL250004625608	0	35	-1.0	-44.35	301.72	3.45	-40.90
COCCCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C=CC1=O	REAL250004625608	1	35	-1.0	-44.44	301.58	3.46	-40.98
CN(C(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL250004625609	0	24	-1.0	-44.53	227.76	5.27	-39.26
CN(C(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL250004625609	1	24	-1.0	-44.48	227.90	5.25	-39.23
CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=N[N-]N=N1	REAL250004625610	0	40	-1.0	-43.64	286.03	5.94	-37.70
CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=NN=N[N-]1	REAL250004625610	1	40	-1.0	-43.70	285.90	5.97	-37.73
CN(C(=O)C1=C(C2=NOC=C2)OC=N1)C1=NN=N[N-]1	REAL250004625611	0	25	-1.0	-57.56	231.57	2.48	-55.08
CN(C(=O)C1=C(C2=NOC=C2)OC=N1)C1=N[N-]N=N1	REAL250004625611	1	25	-1.0	-57.47	231.71	2.46	-55.01
CN(C(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL250004625612	0	33	-1.0	-54.24	283.23	3.55	-50.69
CN(C(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL250004625612	1	33	-1.0	-54.32	283.09	3.58	-50.74
CN(C(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004625613	0	31	-1.0	-48.73	256.69	5.00	-43.73
CN(C(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004625613	1	31	-1.0	-48.65	256.83	5.02	-43.63
CN(C(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL250004625614	0	26	-1.0	-44.58	255.76	6.75	-37.83
CN(C(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL250004625614	1	26	-1.0	-44.48	255.90	6.73	-37.75
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625615	0	34	-1.0	-49.20	286.46	6.58	-42.62
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625615	1	34	-1.0	-49.28	286.33	6.60	-42.68
CN(C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL250004625616	0	32	-1.0	-49.19	282.72	6.57	-42.62
CN(C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL250004625616	1	32	-1.0	-49.11	282.86	6.56	-42.55
CN(C(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL250004625617	0	42	-1.0	-47.71	331.70	9.78	-37.93
CN(C(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL250004625617	1	42	-1.0	-47.74	331.58	9.81	-37.93
CN(C(=O)C1(C(F)(F)F)CCCCC1)C1=N[N-]N=N1	REAL250004625618	0	32	-1.0	-44.65	244.25	5.66	-38.99
CN(C(=O)C1(C(F)(F)F)CCCCC1)C1=NN=N[N-]1	REAL250004625618	1	32	-1.0	-44.73	244.11	5.67	-39.06
CN(C)C(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625619	0	39	-1.0	-37.30	297.29	5.41	-31.89
CN(C)C(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625619	1	39	-1.0	-37.39	297.18	5.43	-31.96
CC1=C(Br)C=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625620	0	25	-1.0	-42.16	236.05	4.31	-37.85
CC1=C(Br)C=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625620	1	25	-1.0	-42.25	235.91	4.33	-37.92
COC1=CC=C(OC(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625621	0	37	-1.0	-32.52	282.81	5.11	-27.41
COC1=CC=C(OC(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625621	1	37	-1.0	-32.58	282.67	5.11	-27.47
COC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004625622	0	30	-1.0	-50.84	272.91	5.73	-45.11
COC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004625622	1	30	-1.0	-50.94	272.78	5.76	-45.18
CCC(C(=O)N(C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004625623	0	42	-1.0	-46.83	324.82	6.16	-40.67
CCC(C(=O)N(C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004625623	1	42	-1.0	-46.87	324.69	6.19	-40.68
CN(C(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL250004625624	0	26	-1.0	-47.90	254.40	6.33	-41.57
CN(C(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL250004625624	1	26	-1.0	-47.96	254.26	6.36	-41.60
CC(C)C[C@H](NCC(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004625625	0	36	-1.0	-48.43	294.26	5.21	-43.22
CC(C)C[C@H](NCC(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004625625	1	36	-1.0	-48.51	294.13	5.23	-43.28
CN(C(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL250004625626	0	29	-1.0	-58.11	262.30	4.94	-53.17
CN(C(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL250004625626	1	29	-1.0	-58.02	262.44	4.93	-53.09
CN(C(=O)C1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL250004625627	0	32	-1.0	-42.23	253.94	2.85	-39.38
CN(C(=O)C1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL250004625627	1	32	-1.0	-42.13	254.07	2.83	-39.30
CC(C)N(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004625628	0	42	-1.0	-52.33	327.31	6.28	-46.05
CC(C)N(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004625628	1	42	-1.0	-52.40	327.18	6.30	-46.10
CN(C(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004625629	0	35	-1.0	-47.45	298.21	5.55	-41.90
CN(C(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004625629	1	35	-1.0	-47.43	298.35	5.53	-41.90
CCNC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625630	0	27	-1.0	-47.25	246.31	2.85	-44.40
CCNC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625630	1	27	-1.0	-47.16	246.46	2.84	-44.32
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004625631	0	33	-1.0	-47.77	275.50	7.80	-39.97
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004625631	1	33	-1.0	-47.85	275.36	7.83	-40.02
CN(C(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL250004625632	0	31	-1.0	-49.22	257.08	6.24	-42.98
CN(C(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL250004625632	1	31	-1.0	-49.27	256.95	6.26	-43.01
COC(C(=O)N(C)C1=N[N-]N=N1)C1CCCCC1	REAL250004625633	0	36	-1.0	-50.44	275.21	5.95	-44.49
COC(C(=O)N(C)C1=NN=N[N-]1)C1CCCCC1	REAL250004625633	1	36	-1.0	-50.53	275.09	5.96	-44.57
CC1CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2O1	REAL250004625634	0	31	-1.0	-47.70	258.94	5.51	-42.19
CC1CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2O1	REAL250004625634	1	31	-1.0	-47.63	259.08	5.50	-42.13
CN(C(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625635	0	29	-1.0	-48.55	264.98	7.71	-40.84
CN(C(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625635	1	29	-1.0	-48.48	265.11	7.69	-40.79
COCC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625636	0	27	-1.0	-47.67	247.54	3.53	-44.14
COCC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625636	1	27	-1.0	-47.74	247.39	3.55	-44.19
CN(C(=O)C1=CC(N)=NC(Br)=C1)C1=NN=N[N-]1	REAL250004625638	0	24	-1.0	-43.16	233.54	2.41	-40.75
CN(C(=O)C1=CC(N)=NC(Br)=C1)C1=N[N-]N=N1	REAL250004625638	1	24	-1.0	-43.10	233.68	2.41	-40.69
CN(C(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL250004625639	0	27	-1.0	-45.63	234.05	3.21	-42.42
CN(C(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL250004625639	1	27	-1.0	-45.70	233.91	3.24	-42.46
CC1=CN2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CC2=N1	REAL250004625640	0	29	-1.0	-53.68	250.71	6.06	-47.62
CC1=CN2C=CC(C(=O)N(C)C3=N[N-]N=N3)=CC2=N1	REAL250004625640	1	29	-1.0	-53.57	250.85	6.06	-47.51
CN(C(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625641	0	31	-1.0	-52.60	269.76	3.73	-48.87
CN(C(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625641	1	31	-1.0	-52.68	269.62	3.75	-48.93
CNC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004625642	0	28	-1.0	-46.71	242.39	3.82	-42.89
CNC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004625642	1	28	-1.0	-46.66	242.54	3.81	-42.85
CN(C(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL250004625643	0	30	-1.0	-50.19	243.19	5.96	-44.23
CN(C(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL250004625643	1	30	-1.0	-50.28	243.05	5.98	-44.30
CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL250004625644	0	34	-1.0	-35.04	280.28	1.82	-33.22
CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL250004625644	1	34	-1.0	-35.15	280.14	1.84	-33.31
CN(C(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL250004625645	0	32	-1.0	-58.85	279.72	5.33	-53.52
CN(C(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL250004625645	1	32	-1.0	-58.81	279.86	5.34	-53.47
CC1=CC(CC(=O)N(C)C2=N[N-]N=N2)=NC=C1Cl	REAL250004625646	0	28	-1.0	-52.26	259.09	5.45	-46.81
CC1=CC(CC(=O)N(C)C2=NN=N[N-]2)=NC=C1Cl	REAL250004625646	1	28	-1.0	-52.34	258.96	5.48	-46.86
CN(C(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL250004625647	0	25	-1.0	-44.32	246.68	3.96	-40.36
CN(C(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL250004625647	1	25	-1.0	-44.28	246.82	3.96	-40.32
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004625648	0	35	-1.0	-47.91	261.89	6.00	-41.91
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004625648	1	35	-1.0	-47.95	261.76	6.01	-41.94
CN(C(=O)C1=C(C(F)(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004625649	0	26	-1.0	-43.78	251.84	3.87	-39.91
CN(C(=O)C1=C(C(F)(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004625649	1	26	-1.0	-43.69	251.98	3.88	-39.81
CN(C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625650	0	35	-1.0	-52.11	273.72	5.50	-46.61
CN(C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625650	1	35	-1.0	-52.18	273.58	5.53	-46.65
CN(C(=O)C1(C(F)(F)F)CCOCC1)C1=N[N-]N=N1	REAL250004625651	0	30	-1.0	-43.29	236.38	3.23	-40.06
CN(C(=O)C1(C(F)(F)F)CCOCC1)C1=NN=N[N-]1	REAL250004625651	1	30	-1.0	-43.35	236.25	3.25	-40.10
CSCC[C@H](NC(N)=O)C(=O)N(C)C1=N[N-]N=N1	REAL250004625652	0	32	-1.0	-60.51	276.95	1.51	-59.00
CSCC[C@H](NC(N)=O)C(=O)N(C)C1=NN=N[N-]1	REAL250004625652	1	32	-1.0	-60.54	276.81	1.53	-59.01
CCN1C(=O)NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004625653	0	33	-1.0	-50.77	281.40	4.71	-46.06
CCN1C(=O)NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004625653	1	33	-1.0	-50.69	281.54	4.72	-45.97
CN(C(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=NN=N[N-]1	REAL250004625654	0	34	-1.0	-47.64	287.82	5.41	-42.23
CN(C(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=N[N-]N=N1	REAL250004625654	1	34	-1.0	-47.60	287.95	5.40	-42.20
CN(C(=O)C1(O)CCCC(C)(C)C1)C1=N[N-]N=N1	REAL250004625655	0	36	-1.0	-44.75	265.33	3.77	-40.98
CN(C(=O)C1(O)CCCC(C)(C)C1)C1=NN=N[N-]1	REAL250004625655	1	36	-1.0	-44.79	265.19	3.79	-41.00
COC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625656	0	34	-1.0	-33.95	273.42	4.10	-29.85
COC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625656	1	34	-1.0	-33.95	273.30	4.10	-29.85
CN(C(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL250004625657	0	28	-1.0	-48.82	258.80	5.33	-43.49
CN(C(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL250004625657	1	28	-1.0	-48.73	258.93	5.31	-43.42
COC(C)(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625658	0	38	-1.0	-49.30	298.30	5.91	-43.39
COC(C)(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625658	1	38	-1.0	-49.38	298.16	5.92	-43.46
CN(C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL250004625659	0	41	-1.0	-47.32	318.22	7.23	-40.09
CN(C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL250004625659	1	41	-1.0	-47.39	318.09	7.26	-40.13
CN(C(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL250004625660	0	30	-1.0	-54.71	284.79	2.26	-52.45
CN(C(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL250004625660	1	30	-1.0	-54.81	284.64	2.28	-52.53
CN(C(=O)C1=CC(Br)=CNC1=O)C1=N[N-]N=N1	REAL250004625661	0	23	-1.0	-59.36	235.58	2.68	-56.68
CN(C(=O)C1=CC(Br)=CNC1=O)C1=NN=N[N-]1	REAL250004625661	1	23	-1.0	-59.42	235.48	2.69	-56.73
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004625662	0	36	-1.0	-53.29	266.58	4.50	-48.79
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004625662	1	36	-1.0	-53.34	266.44	4.52	-48.82
CN(C(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL250004625663	0	33	-1.0	-47.01	256.47	5.32	-41.69
CN(C(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL250004625663	1	33	-1.0	-46.89	256.62	5.30	-41.59
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL250004625664	0	32	-1.0	-47.49	279.76	8.08	-39.41
CN(C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL250004625664	1	32	-1.0	-47.44	279.90	8.05	-39.39
CC1=C(S(C)(=O)=O)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625665	0	29	-1.0	-56.06	267.48	1.69	-54.37
CC1=C(S(C)(=O)=O)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625665	1	29	-1.0	-56.09	267.33	1.72	-54.37
CN(C(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL250004625666	0	23	-1.0	-46.63	230.37	5.24	-41.39
CN(C(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL250004625666	1	23	-1.0	-46.56	230.52	5.22	-41.34
CC1=CC=CC=C1CC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625667	0	35	-1.0	-45.79	278.01	7.48	-38.31
CC1=CC=CC=C1CC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625667	1	35	-1.0	-45.88	277.88	7.50	-38.38
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004625668	0	26	-1.0	-43.11	239.49	5.18	-37.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004625668	1	26	-1.0	-43.16	239.35	5.21	-37.95
CN(C(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL250004625669	0	31	-1.0	-50.86	272.54	8.20	-42.66
CN(C(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL250004625669	1	31	-1.0	-50.95	272.41	8.23	-42.72
CC1=CC=C2OC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004625670	0	32	-1.0	-51.99	279.04	7.03	-44.96
CC1=CC=C2OC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004625670	1	32	-1.0	-51.91	279.18	6.99	-44.92
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004625671	0	30	-1.0	-49.66	262.84	5.82	-43.84
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004625671	1	30	-1.0	-49.71	262.70	5.85	-43.86
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004625672	0	35	-1.0	-31.95	297.47	8.34	-23.61
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004625672	1	35	-1.0	-32.02	297.35	8.36	-23.66
CN(C(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL250004625673	0	33	-1.0	-51.30	268.05	0.90	-50.40
CN(C(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL250004625673	1	33	-1.0	-51.38	267.91	0.91	-50.47
CN(C(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004625674	0	33	-1.0	-50.81	285.82	8.35	-42.46
CN(C(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004625674	1	33	-1.0	-50.88	285.69	8.38	-42.50
CN(C(=O)CN1CSCCSC1)C1=N[N-]N=N1	REAL250004625675	0	30	-1.0	-48.35	264.57	3.74	-44.61
CN(C(=O)CN1CSCCSC1)C1=NN=N[N-]1	REAL250004625675	1	30	-1.0	-48.40	264.44	3.76	-44.64
CN(C(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004625677	0	31	-1.0	-49.81	278.75	6.65	-43.16
CN(C(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004625677	1	31	-1.0	-49.86	278.61	6.68	-43.18
CN(C(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL250004625678	0	31	-1.0	-54.89	254.12	3.62	-51.27
CN(C(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL250004625678	1	31	-1.0	-54.99	253.99	3.65	-51.34
CN(C(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL250004625679	0	37	-1.0	-48.86	287.33	3.70	-45.16
CN(C(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL250004625679	1	37	-1.0	-48.92	287.16	3.73	-45.19
CN(C(=O)C1=CC(N2CCOCC2)=NC=N1)C1=NN=N[N-]1	REAL250004625683	0	34	-1.0	-44.72	281.47	4.01	-40.71
CN(C(=O)C1=CC(N2CCOCC2)=NC=N1)C1=N[N-]N=N1	REAL250004625683	1	34	-1.0	-44.69	281.61	4.00	-40.69
CN(C(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625684	0	31	-1.0	-52.92	270.46	2.29	-50.63
CN(C(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625684	1	31	-1.0	-52.87	270.59	2.28	-50.59
CN(CCC1=CC=CC=C1)CC(=O)N(C)C1=N[N-]N=N1	REAL250004625685	0	37	-1.0	-47.48	302.74	5.84	-41.64
CN(CCC1=CC=CC=C1)CC(=O)N(C)C1=NN=N[N-]1	REAL250004625685	1	37	-1.0	-47.57	302.60	5.86	-41.71
CC(C(=O)N(C)C1=N[N-]N=N1)N1CSCCSC1	REAL250004625687	0	33	-1.0	-46.81	270.07	3.66	-43.15
CC(C(=O)N(C)C1=NN=N[N-]1)N1CSCCSC1	REAL250004625687	1	33	-1.0	-46.89	269.91	3.68	-43.21
CN(C(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL250004625688	0	33	-1.0	-47.39	283.82	4.06	-43.33
CN(C(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL250004625688	1	33	-1.0	-47.47	283.68	4.08	-43.39
CN(C(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL250004625689	0	27	-1.0	-46.33	248.54	6.88	-39.45
CN(C(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL250004625689	1	27	-1.0	-46.39	248.40	6.90	-39.49
CN(C(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL250004625690	0	28	-1.0	-52.92	259.06	4.97	-47.95
CN(C(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL250004625690	1	28	-1.0	-52.84	259.21	4.97	-47.87
CN(C(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL250004625691	0	36	-1.0	-48.26	282.39	7.91	-40.35
CN(C(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL250004625691	1	36	-1.0	-48.33	282.25	7.94	-40.39
CN(C(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL250004625692	0	39	-1.0	-48.58	294.91	8.17	-40.41
CN(C(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL250004625692	1	39	-1.0	-48.68	294.78	8.18	-40.50
CC1=CC=C(COC(C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625693	0	36	-1.0	-51.96	299.83	7.46	-44.50
CC1=CC=C(COC(C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625693	1	36	-1.0	-52.05	299.70	7.49	-44.56
CN(C(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL250004625694	0	24	-1.0	-45.77	228.95	5.30	-40.47
CN(C(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL250004625694	1	24	-1.0	-45.73	229.09	5.28	-40.45
CCCCCCCCC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625695	0	43	-1.0	-31.26	330.64	8.93	-22.33
CCCCCCCCC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625695	1	43	-1.0	-31.33	330.55	8.99	-22.34
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004625696	0	40	-1.0	-47.94	325.73	4.54	-43.40
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004625696	1	40	-1.0	-48.03	325.60	4.55	-43.48
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL250004625697	0	32	-1.0	-60.17	277.32	5.30	-54.87
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL250004625697	1	32	-1.0	-60.13	277.46	5.30	-54.83
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL250004625698	0	32	-1.0	-60.17	277.32	5.30	-54.87
CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL250004625698	1	32	-1.0	-60.13	277.46	5.30	-54.83
CN(C(=O)C(C)(C)C1=NC=CS1)C1=NN=N[N-]1	REAL250004625700	0	28	-1.0	-34.28	235.03	3.45	-30.83
CN(C(=O)C(C)(C)C1=NC=CS1)C1=N[N-]N=N1	REAL250004625700	1	28	-1.0	-34.21	235.19	3.45	-30.76
CN(C(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004625701	0	31	-1.0	-49.21	275.98	6.06	-43.15
CN(C(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004625701	1	31	-1.0	-49.28	275.84	6.08	-43.20
CN(C(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL250004625702	0	31	-1.0	-49.89	256.27	7.69	-42.20
CN(C(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL250004625702	1	31	-1.0	-49.96	256.13	7.72	-42.24
CN(C(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL250004625703	0	31	-1.0	-42.97	261.32	5.60	-37.37
CN(C(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL250004625703	1	31	-1.0	-43.03	261.19	5.63	-37.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004625704	0	29	-1.0	-53.41	269.21	1.42	-51.99
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004625704	1	29	-1.0	-53.53	269.06	1.45	-52.08
CC1=CC=CC=C1COC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625705	0	36	-1.0	-33.61	293.93	7.59	-26.02
CC1=CC=CC=C1COC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625705	1	36	-1.0	-33.70	293.79	7.61	-26.09
CSC1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625706	0	27	-1.0	-44.39	247.67	5.28	-39.11
CSC1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625706	1	27	-1.0	-44.48	247.52	5.29	-39.19
COC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC2(CCC2)C1	REAL250004625707	0	36	-1.0	-43.95	289.35	6.24	-37.71
COC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC2(CCC2)C1	REAL250004625707	1	36	-1.0	-43.99	289.21	6.25	-37.74
CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004625708	0	32	-1.0	-48.61	263.48	6.17	-42.44
CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004625708	1	32	-1.0	-48.68	263.33	6.19	-42.49
CN(C(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004625709	0	23	-1.0	-43.83	233.56	5.06	-38.77
CN(C(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004625709	1	23	-1.0	-43.89	233.43	5.09	-38.80
CN(C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004625710	0	36	-1.0	-48.71	285.90	8.12	-40.59
CN(C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004625710	1	36	-1.0	-48.78	285.77	8.14	-40.64
COCCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004625711	0	33	-1.0	-49.69	281.12	3.41	-46.28
COCCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004625711	1	33	-1.0	-49.62	281.26	3.38	-46.24
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004625712	0	37	-1.0	-51.91	301.94	4.90	-47.01
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004625712	1	37	-1.0	-52.00	301.80	4.92	-47.08
CN(C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL250004625713	0	34	-1.0	-49.26	287.08	3.90	-45.36
CN(C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL250004625713	1	34	-1.0	-49.18	287.22	3.88	-45.30
CN(C(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL250004625714	0	25	-1.0	-47.12	229.70	4.34	-42.78
CN(C(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL250004625714	1	25	-1.0	-47.07	229.83	4.35	-42.72
CCOC1(C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004625715	0	34	-1.0	-43.92	257.23	2.96	-40.96
CCOC1(C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004625715	1	34	-1.0	-44.00	257.10	2.97	-41.03
CN(C(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL250004625716	0	32	-1.0	-61.34	278.86	5.31	-56.03
CN(C(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL250004625716	1	32	-1.0	-61.26	279.00	5.31	-55.95
CC1=CC=CC=C1COCC(=O)N(C)C1=N[N-]N=N1	REAL250004625717	0	33	-1.0	-53.03	280.51	7.03	-46.00
CC1=CC=CC=C1COCC(=O)N(C)C1=NN=N[N-]1	REAL250004625717	1	33	-1.0	-53.10	280.37	7.05	-46.05
CC1=CC=CC(COCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625718	0	33	-1.0	-51.99	285.75	7.01	-44.98
CC1=CC=CC(COCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625718	1	33	-1.0	-52.07	285.61	7.03	-45.04
CN(C(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL250004625719	0	25	-1.0	-52.06	233.80	5.58	-46.48
CN(C(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL250004625719	1	25	-1.0	-51.95	233.94	5.58	-46.37
CN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL250004625720	0	32	-1.0	-68.33	261.38	4.17	-64.16
CN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL250004625720	1	32	-1.0	-68.45	261.24	4.18	-64.27
CN(C(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004625721	1	30	-1.0	-52.86	270.97	1.07	-51.79
CN(C(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004625721	1	30	-1.0	-52.78	271.11	1.06	-51.72
CN(C(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL250004625722	0	26	-1.0	-58.85	244.68	4.19	-54.66
CN(C(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL250004625722	1	26	-1.0	-58.92	244.55	4.21	-54.71
CN(C(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL250004625723	0	29	-1.0	-47.41	260.07	4.29	-43.12
CN(C(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL250004625723	1	29	-1.0	-47.36	260.21	4.29	-43.07
CC1=CN2C=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625724	0	29	-1.0	-59.18	258.22	6.41	-52.77
CC1=CN2C=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625724	1	29	-1.0	-59.22	258.09	6.42	-52.80
CN(C(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL250004625725	0	34	-1.0	-45.00	282.80	4.39	-40.61
CN(C(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL250004625725	1	34	-1.0	-44.92	282.93	4.38	-40.54
CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625726	0	40	-1.0	-48.62	321.03	4.03	-44.59
CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625726	1	40	-1.0	-48.69	320.89	4.04	-44.65
CC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625727	0	33	-1.0	-51.98	285.75	7.02	-44.96
CC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625727	1	33	-1.0	-52.05	285.61	7.04	-45.01
CN(C(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL250004625728	0	26	-1.0	-54.28	240.35	5.89	-48.39
CN(C(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL250004625728	1	26	-1.0	-54.31	240.21	5.89	-48.42
CN(C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004625729	0	30	-1.0	-49.32	269.94	6.07	-43.25
CN(C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004625729	1	30	-1.0	-49.23	270.10	6.04	-43.19
CN(C(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004625730	0	25	-1.0	-46.75	246.74	4.83	-41.92
CN(C(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004625730	1	25	-1.0	-46.69	246.89	4.83	-41.86
CN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004625731	0	33	-1.0	-49.27	287.33	5.24	-44.03
CN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004625731	1	33	-1.0	-49.38	287.19	5.28	-44.10
CC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004625732	0	26	-1.0	-52.10	242.99	5.91	-46.19
CC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004625732	1	26	-1.0	-52.04	243.13	5.89	-46.15
CN(C(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL250004625733	0	35	-1.0	-49.66	281.08	5.44	-44.22
CN(C(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL250004625733	1	35	-1.0	-49.61	281.16	5.42	-44.19
COC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1OC(C)C	REAL250004625734	0	37	-1.0	-54.00	304.68	6.40	-47.60
COC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1OC(C)C	REAL250004625734	1	37	-1.0	-53.93	304.79	6.42	-47.51
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL250004625735	0	34	-1.0	-48.33	287.75	5.38	-42.95
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL250004625735	1	34	-1.0	-48.28	287.90	5.39	-42.89
CN(C(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004625736	0	34	-1.0	-51.45	289.77	5.45	-46.00
CN(C(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004625736	1	34	-1.0	-51.51	289.62	5.45	-46.06
CN(C(=O)C1=CC=NC2=C1CC(=O)N2)C1=NN=N[N-]1	REAL250004625737	0	27	-1.0	-46.81	241.45	2.64	-44.17
CN(C(=O)C1=CC=NC2=C1CC(=O)N2)C1=N[N-]N=N1	REAL250004625737	1	27	-1.0	-46.73	241.59	2.63	-44.10
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625738	0	30	-1.0	-45.93	277.11	5.59	-40.34
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625738	1	30	-1.0	-46.00	276.97	5.62	-40.38
CN(C(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004625739	0	39	-1.0	-47.64	315.02	8.79	-38.85
CN(C(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004625739	1	39	-1.0	-47.72	314.87	8.80	-38.92
CN(C(=O)C1=C(F)C=CC(F)=C1Cl)C1=N[N-]N=N1	REAL250004625740	0	23	-1.0	-49.53	237.08	5.64	-43.89
CN(C(=O)C1=C(F)C=CC(F)=C1Cl)C1=NN=N[N-]1	REAL250004625740	1	23	-1.0	-49.59	236.93	5.66	-43.93
CCN1N=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625741	0	26	-1.0	-42.80	250.29	4.28	-38.52
CCN1N=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625741	1	26	-1.0	-42.72	250.43	4.26	-38.46
COC(=O)C1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625742	0	29	-1.0	-41.91	261.40	4.81	-37.10
COC(=O)C1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625742	1	29	-1.0	-42.03	261.26	4.83	-37.20
COC(=O)C1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004625743	0	29	-1.0	-55.69	266.71	4.06	-51.63
COC(=O)C1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004625743	1	29	-1.0	-55.63	266.85	4.04	-51.59
C[C@@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004625744	0	39	-1.0	-54.39	315.72	4.02	-50.37
C[C@@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004625744	1	39	-1.0	-54.48	315.58	4.05	-50.43
CN(C(=O)C1=CN(C)N=C1C1=CC=CO1)C1=NN=N[N-]1	REAL250004625745	0	30	-1.0	-56.71	267.34	4.73	-51.98
CN(C(=O)C1=CN(C)N=C1C1=CC=CO1)C1=N[N-]N=N1	REAL250004625745	1	30	-1.0	-56.66	267.59	4.70	-51.96
CN(C(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL250004625746	0	28	-1.0	-48.41	261.48	1.55	-46.86
CN(C(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL250004625746	1	28	-1.0	-48.51	261.34	1.56	-46.95
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL250004625747	0	28	-1.0	-48.20	261.04	-0.93	-49.13
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL250004625747	1	28	-1.0	-48.28	260.90	-0.90	-49.18
CSC1=CC=C(O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625748	0	28	-1.0	-49.84	250.50	4.31	-45.53
CSC1=CC=C(O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625748	1	28	-1.0	-49.77	250.64	4.31	-45.46
CC1=CC=C(C2=NN(C)C=C2C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625749	0	33	-1.0	-57.95	289.29	5.54	-52.41
CC1=CC=C(C2=NN(C)C=C2C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625749	1	33	-1.0	-57.91	289.42	5.54	-52.37
CN(C(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=N[N-]N=N1	REAL250004625750	0	42	-1.0	-50.85	292.75	9.18	-41.67
CN(C(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=NN=N[N-]1	REAL250004625750	1	42	-1.0	-50.98	292.62	9.20	-41.78
CN(C(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004625751	0	27	-1.0	-44.32	251.57	3.78	-40.54
CN(C(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004625751	1	27	-1.0	-44.41	251.44	3.80	-40.61
CN(C(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004625752	0	30	-1.0	-47.72	258.80	7.02	-40.70
CN(C(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004625752	1	30	-1.0	-47.77	258.67	7.05	-40.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004625753	0	36	-1.0	-48.38	295.38	8.49	-39.89
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004625753	1	36	-1.0	-48.41	295.25	8.51	-39.90
CCOCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004625754	0	33	-1.0	-47.17	281.48	3.59	-43.58
CCOCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004625754	1	33	-1.0	-47.14	281.62	3.57	-43.57
CN(C(=O)C1=C(C(F)(F)F)SC=C1)C1=N[N-]N=N1	REAL250004625755	0	23	-1.0	-50.99	230.02	5.04	-45.95
CN(C(=O)C1=C(C(F)(F)F)SC=C1)C1=NN=N[N-]1	REAL250004625755	1	23	-1.0	-51.08	229.88	5.03	-46.05
CC1=NN(C2CCOCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625756	0	37	-1.0	-44.38	296.33	4.37	-40.01
CC1=NN(C2CCOCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625756	1	37	-1.0	-44.46	296.20	4.40	-40.06
CN(C(=O)C1=C(Cl)N(C)N=C1Cl)C1=NN=N[N-]1	REAL250004625757	0	23	-1.0	-44.91	245.35	3.74	-41.17
CN(C(=O)C1=C(Cl)N(C)N=C1Cl)C1=N[N-]N=N1	REAL250004625757	1	23	-1.0	-44.87	245.49	3.72	-41.15
CN(C(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625758	0	39	-1.0	-49.08	306.03	9.13	-39.95
CN(C(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625758	1	39	-1.0	-49.15	305.90	9.13	-40.02
CN(C(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625759	0	36	-1.0	-47.12	302.43	7.38	-39.74
CN(C(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625759	1	36	-1.0	-47.03	302.57	7.36	-39.67
CN(C(=O)C1(C2CCCC2)CCNC1=O)C1=N[N-]N=N1	REAL250004625760	0	37	-1.0	-49.59	270.42	3.55	-46.04
CN(C(=O)C1(C2CCCC2)CCNC1=O)C1=NN=N[N-]1	REAL250004625760	1	37	-1.0	-49.63	270.29	3.57	-46.06
CCOC1=CC=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625761	0	34	-1.0	-49.97	290.26	6.69	-43.28
CCOC1=CC=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625761	1	34	-1.0	-50.00	290.11	6.71	-43.29
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625762	0	31	-1.0	-49.08	268.19	5.78	-43.30
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625762	1	31	-1.0	-49.02	268.33	5.78	-43.24
CN(C(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004625763	0	26	-1.0	-47.77	252.46	6.53	-41.24
CN(C(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004625763	1	26	-1.0	-47.84	252.33	6.56	-41.28
CN(C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL250004625764	0	36	-1.0	-50.04	286.52	7.83	-42.21
CN(C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL250004625764	1	36	-1.0	-49.96	286.66	7.81	-42.15
CN(C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL250004625765	0	30	-1.0	-47.23	282.32	6.17	-41.06
CN(C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL250004625765	1	30	-1.0	-47.32	282.18	6.20	-41.12
CN(C(=O)C1=CSC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004625766	0	23	-1.0	-52.41	224.88	4.97	-47.44
CN(C(=O)C1=CSC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004625766	1	23	-1.0	-52.48	224.73	4.99	-47.49
CCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004625767	0	35	-1.0	-47.39	301.94	8.25	-39.14
CCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004625767	1	35	-1.0	-47.47	301.79	8.28	-39.19
CCC(NC1=CC=CN=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL250004625768	0	33	-1.0	-31.65	287.15	4.63	-27.02
CCC(NC1=CC=CN=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL250004625768	1	33	-1.0	-31.58	287.31	4.61	-26.97
CCOCCOCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004625769	0	36	-1.0	-52.60	302.36	4.02	-48.58
CCOCCOCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004625769	1	36	-1.0	-52.69	302.23	4.05	-48.64
COC1=CC=CC(C(OC)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625770	0	34	-1.0	-48.88	281.97	4.93	-43.95
COC1=CC=CC(C(OC)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625770	1	34	-1.0	-48.96	281.83	4.95	-44.01
COCCOCCOCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004625771	0	40	-1.0	-54.08	335.99	3.38	-50.70
COCCOCCOCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004625771	1	40	-1.0	-54.17	335.85	3.41	-50.76
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)O1	REAL250004625772	0	27	-1.0	-44.86	245.82	4.99	-39.87
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)O1	REAL250004625772	1	27	-1.0	-44.93	245.68	5.00	-39.93
CN(C(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL250004625773	0	35	-1.0	-62.57	280.40	4.16	-58.41
CN(C(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL250004625773	1	35	-1.0	-62.46	280.54	4.15	-58.31
CC(=O)NC1=CNC(=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625774	0	30	-1.0	-72.05	273.55	0.97	-71.08
CC(=O)NC1=CNC(=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625774	1	30	-1.0	-71.93	273.70	0.95	-70.98
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL250004625775	0	31	-1.0	-51.46	275.68	7.61	-43.85
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL250004625775	1	31	-1.0	-51.39	275.83	7.60	-43.79
CN(C(=O)C1=NNC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004625778	0	23	-1.0	-52.41	221.54	3.12	-49.29
CN(C(=O)C1=NNC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004625778	1	23	-1.0	-52.52	221.40	3.13	-49.39
CN(C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL250004625780	0	35	-1.0	-52.29	297.09	6.32	-45.97
CN(C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL250004625780	1	35	-1.0	-52.19	297.31	6.33	-45.86
CN(C(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL250004625782	0	28	-1.0	-45.27	242.43	4.35	-40.92
CN(C(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL250004625782	1	28	-1.0	-45.21	242.58	4.30	-40.91
CN(C(=O)C1CCCN1C1=NC=CC=N1)C1=NN=N[N-]1	REAL250004625783	0	33	-1.0	-55.64	273.80	5.34	-50.30
CN(C(=O)C1CCCN1C1=NC=CC=N1)C1=N[N-]N=N1	REAL250004625783	1	33	-1.0	-55.57	273.93	5.32	-50.25
CN(C(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL250004625784	0	32	-1.0	-51.86	272.75	6.04	-45.82
CN(C(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL250004625784	1	32	-1.0	-51.79	272.87	6.04	-45.75
CN(C(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004625785	0	31	-1.0	-48.00	274.77	1.35	-46.65
CN(C(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004625785	1	31	-1.0	-48.08	274.63	1.38	-46.70
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004625786	0	29	-1.0	-50.68	254.24	3.47	-47.21
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004625786	1	29	-1.0	-50.61	254.38	3.48	-47.13
CN(C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL250004625787	0	32	-1.0	-59.10	281.83	8.01	-51.09
CN(C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL250004625787	1	32	-1.0	-58.98	281.97	8.01	-50.97
CN(C(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL250004625788	0	26	-1.0	-47.29	235.90	6.46	-40.83
CN(C(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL250004625788	1	26	-1.0	-47.18	236.05	6.45	-40.73
CN(C(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL250004625789	0	33	-1.0	-39.82	248.34	3.75	-36.07
CN(C(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL250004625789	1	33	-1.0	-39.88	248.18	3.74	-36.14
CN(C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004625790	0	31	-1.0	-51.21	280.08	5.14	-46.07
CN(C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004625790	1	31	-1.0	-51.29	279.95	5.16	-46.13
CN(C(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL250004625791	0	34	-1.0	-61.51	284.58	1.31	-60.20
CN(C(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL250004625791	1	34	-1.0	-61.50	284.72	1.31	-60.19
CN(C(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL250004625792	0	32	-1.0	-49.46	283.22	5.36	-44.10
CN(C(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL250004625792	1	32	-1.0	-49.37	283.36	5.34	-44.03
CN(C(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL250004625793	0	28	-1.0	-47.83	260.80	1.32	-46.51
CN(C(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL250004625793	1	28	-1.0	-47.73	260.94	1.30	-46.43
CN(C(=O)CC=CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625794	0	33	-1.0	-49.20	285.44	8.17	-41.03
CN(C(=O)CC=CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625794	1	33	-1.0	-49.29	285.30	8.21	-41.08
CN(C(=O)C1(C2=CC=NC=C2)CCC1)C1=NN=N[N-]1	REAL250004625795	0	32	-1.0	-49.29	258.00	5.38	-43.91
CN(C(=O)C1(C2=CC=NC=C2)CCC1)C1=N[N-]N=N1	REAL250004625795	1	32	-1.0	-49.21	258.13	5.36	-43.85
CN(C(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL250004625796	0	26	-1.0	-44.50	247.02	-0.01	-44.51
CN(C(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL250004625796	1	26	-1.0	-44.49	247.16	-0.02	-44.51
C#CCN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004625797	0	38	-1.0	-51.84	322.84	6.52	-45.32
C#CCN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004625797	1	38	-1.0	-51.91	322.70	6.55	-45.36
CN(C(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004625798	0	29	-1.0	-66.67	250.88	1.83	-64.84
CN(C(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004625798	1	29	-1.0	-66.77	250.75	1.85	-64.92
CC1=CC=C(C(=O)C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625799	0	32	-1.0	-45.07	282.82	7.04	-38.03
CC1=CC=C(C(=O)C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625799	1	32	-1.0	-45.12	282.68	7.05	-38.07
CN(C(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL250004625800	0	26	-1.0	-61.19	235.34	4.64	-56.55
CN(C(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL250004625800	1	26	-1.0	-61.08	235.49	4.62	-56.46
CN(C(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL250004625801	0	30	-1.0	-58.40	264.09	4.82	-53.58
CN(C(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL250004625801	1	30	-1.0	-58.29	264.22	4.84	-53.45
CN(C(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL250004625802	0	26	-1.0	-57.25	249.35	2.98	-54.27
CN(C(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL250004625802	1	26	-1.0	-57.34	249.19	2.98	-54.36
CN(C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004625803	0	33	-1.0	-51.03	273.55	7.24	-43.79
CN(C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004625803	1	33	-1.0	-51.11	273.42	7.27	-43.84
CN(C(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL250004625804	0	29	-1.0	-50.74	258.14	4.70	-46.04
CN(C(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL250004625804	1	29	-1.0	-50.64	258.29	4.71	-45.93
CN(C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL250004625805	0	30	-1.0	-47.27	260.12	0.49	-46.78
CN(C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL250004625805	1	30	-1.0	-47.17	260.26	0.47	-46.70
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=NN=N[N-]1	REAL250004625806	0	34	-1.0	-54.10	272.54	3.84	-50.26
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=N[N-]N=N1	REAL250004625806	1	34	-1.0	-54.03	272.68	3.81	-50.22
CN(C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=N[N-]N=N1	REAL250004625807	0	33	-1.0	-50.55	288.38	6.02	-44.53
CN(C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=NN=N[N-]1	REAL250004625807	1	33	-1.0	-50.63	288.23	6.04	-44.59
CN(C(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL250004625808	0	25	-1.0	-46.55	234.80	4.42	-42.13
CN(C(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL250004625808	1	25	-1.0	-46.49	234.94	4.40	-42.09
CN(C(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL250004625809	0	22	-1.0	-47.33	219.78	4.29	-43.04
CN(C(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL250004625809	1	22	-1.0	-47.44	219.65	4.31	-43.13
CN(C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL250004625810	0	25	-1.0	-43.87	245.08	4.48	-39.39
CN(C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL250004625810	1	25	-1.0	-43.77	245.22	4.46	-39.31
CN(C(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004625811	0	22	-1.0	-41.92	222.65	2.02	-39.90
CN(C(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004625811	1	22	-1.0	-41.83	222.80	2.00	-39.83
COC1=CC=C(C=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625812	0	29	-1.0	-59.07	256.44	4.54	-54.53
COC1=CC=C(C=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625812	1	29	-1.0	-58.99	256.58	4.53	-54.46
CN(C(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL250004625813	0	28	-1.0	-56.84	254.72	0.18	-56.66
CN(C(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL250004625813	1	28	-1.0	-56.94	254.59	0.20	-56.74
CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL250004625814	0	34	-1.0	-49.64	274.16	5.22	-44.42
CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL250004625814	1	34	-1.0	-49.70	274.02	5.24	-44.46
CN(C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL250004625815	0	37	-1.0	-53.92	305.00	7.88	-46.04
CN(C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL250004625815	1	37	-1.0	-53.97	304.87	7.92	-46.05
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004625816	0	27	-1.0	-50.02	246.36	3.74	-46.28
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004625816	1	27	-1.0	-49.92	246.51	3.71	-46.21
CN(C(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL250004625817	0	30	-1.0	-50.37	256.79	6.68	-43.69
CN(C(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL250004625817	1	30	-1.0	-50.30	256.94	6.69	-43.61
CN(C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL250004625818	0	35	-1.0	-50.51	289.91	7.09	-43.42
CN(C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL250004625818	1	35	-1.0	-50.44	290.05	7.07	-43.37
CN(C(=O)C1(C2CCCCO2)CCC1)C1=N[N-]N=N1	REAL250004625819	0	37	-1.0	-45.74	277.08	5.67	-40.07
CN(C(=O)C1(C2CCCCO2)CCC1)C1=NN=N[N-]1	REAL250004625819	1	37	-1.0	-45.78	276.95	5.69	-40.09
COC1=CC=C(F)C(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625820	0	31	-1.0	-52.63	277.09	3.98	-48.65
COC1=CC=C(F)C(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625820	1	31	-1.0	-52.58	277.23	3.97	-48.61
COC1=CC=NC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625821	0	30	-1.0	-55.16	265.33	1.25	-53.91
COC1=CC=NC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625821	1	30	-1.0	-55.08	265.47	1.22	-53.86
COC(=O)C1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625822	0	29	-1.0	-42.46	257.18	3.27	-39.19
COC(=O)C1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625822	1	29	-1.0	-42.42	257.32	3.26	-39.16
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C2=N[N-]N=N2)C[C@H]1C	REAL250004625823	0	33	-1.0	-53.44	278.89	5.28	-48.16
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C2=NN=N[N-]2)C[C@H]1C	REAL250004625823	1	33	-1.0	-53.49	278.75	5.30	-48.19
CN(C(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL250004625824	0	24	-1.0	-45.69	246.13	6.19	-39.50
CN(C(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL250004625824	1	24	-1.0	-45.79	245.98	6.20	-39.59
CN(C(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004625825	0	34	-1.0	-49.22	280.24	4.24	-44.98
CN(C(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004625825	1	34	-1.0	-49.17	280.38	4.22	-44.95
CN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL250004625826	0	36	-1.0	-45.66	278.21	5.74	-39.92
CN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL250004625826	1	36	-1.0	-45.83	278.07	5.76	-40.07
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL250004625827	0	33	-1.0	-46.06	285.17	7.60	-38.46
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL250004625827	1	33	-1.0	-46.01	285.32	7.57	-38.44
CN(C(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625828	0	31	-1.0	-56.40	260.54	3.33	-53.07
CN(C(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625828	1	31	-1.0	-56.35	260.68	3.31	-53.04
CN(C(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004625829	0	32	-1.0	-47.12	260.82	6.38	-40.74
CN(C(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004625829	1	32	-1.0	-47.23	260.68	6.39	-40.84
CC1=CN(CC(=O)N(C)C2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004625830	0	29	-1.0	-57.33	269.55	4.92	-52.41
CC1=CN(CC(=O)N(C)C2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004625830	1	29	-1.0	-57.22	269.69	4.89	-52.33
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625831	0	33	-1.0	-48.20	278.37	7.95	-40.25
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625831	1	33	-1.0	-48.26	278.24	7.97	-40.29
CN(C(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL250004625832	0	29	-1.0	-54.76	261.71	3.69	-51.07
CN(C(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL250004625832	1	29	-1.0	-54.39	261.85	3.70	-50.69
CN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625833	0	37	-1.0	-47.67	299.71	-0.59	-48.26
CN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625833	1	37	-1.0	-47.78	299.58	-0.57	-48.35
COC1=CC(CO)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625834	0	31	-1.0	-54.41	261.65	2.64	-51.77
COC1=CC(CO)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625834	1	31	-1.0	-54.32	261.79	2.63	-51.69
CN(C(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL250004625835	0	37	-1.0	-51.99	287.56	4.31	-47.68
CN(C(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL250004625835	1	37	-1.0	-52.08	287.42	4.33	-47.75
COC1=CC(OC)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C=O	REAL250004625836	0	33	-1.0	-53.81	279.19	5.69	-48.12
COC1=CC(OC)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C=O	REAL250004625836	1	33	-1.0	-53.75	279.33	5.69	-48.06
CN(C(=O)C(C)(C)N1CCCCC1)C1=N[N-]N=N1	REAL250004625837	1	37	-1.0	-47.06	263.70	5.79	-41.27
CN(C(=O)C(C)(C)N1CCCCC1)C1=NN=N[N-]1	REAL250004625837	1	37	-1.0	-47.10	263.56	5.81	-41.29
CN(C(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625838	0	37	-1.0	-56.05	316.65	4.62	-51.43
CN(C(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625838	1	37	-1.0	-56.19	316.51	4.65	-51.54
CN(C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL250004625839	0	33	-1.0	-65.16	282.81	3.23	-61.93
CN(C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL250004625839	1	33	-1.0	-65.21	282.67	3.22	-61.99
CC1CCC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CN2C1	REAL250004625840	0	33	-1.0	-50.68	270.23	6.64	-44.04
CC1CCC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CN2C1	REAL250004625840	1	33	-1.0	-50.53	270.41	6.63	-43.90
CN(C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL250004625841	0	32	-1.0	-51.85	277.36	6.70	-45.15
CN(C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL250004625841	1	32	-1.0	-51.81	277.50	6.70	-45.11
CC1=NC=C(C=CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625842	0	26	-1.0	-47.89	246.15	4.46	-43.43
CC1=NC=C(C=CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625842	1	26	-1.0	-47.97	246.00	4.47	-43.50
CN(C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL250004625843	0	33	-1.0	-53.34	275.32	4.28	-49.06
CN(C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL250004625843	1	33	-1.0	-53.30	275.47	4.26	-49.04
CN(C(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL250004625844	0	29	-1.0	-51.82	261.53	1.05	-50.77
CN(C(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL250004625844	1	29	-1.0	-51.73	261.67	1.02	-50.71
CC1=C(C)C(=O)N(CCC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004625845	0	33	-1.0	-50.69	292.76	4.60	-46.09
CC1=C(C)C(=O)N(CCC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004625845	1	33	-1.0	-50.78	292.63	4.63	-46.15
CN(C(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL250004625846	0	33	-1.0	-48.78	260.14	5.48	-43.30
CN(C(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL250004625846	1	33	-1.0	-48.81	260.00	5.49	-43.32
CCOC(=O)C1CCCN(CC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004625847	0	40	-1.0	-47.68	321.87	4.87	-42.81
CCOC(=O)C1CCCN(CC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004625847	1	40	-1.0	-47.75	321.73	4.90	-42.85
CCC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1C=CC=C1C=O	REAL250004625848	0	38	-1.0	-45.54	293.15	6.31	-39.23
CCC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1C=CC=C1C=O	REAL250004625848	1	38	-1.0	-45.59	293.02	6.31	-39.28
CN(C(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004625849	1	42	-1.0	-46.65	306.53	3.25	-43.40
CN(C(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004625849	1	42	-1.0	-46.68	306.39	3.27	-43.41
CC1=C(C(F)(F)F)C(C(=O)N(C)C2=N[N-]N=N2)=NN1	REAL250004625850	0	26	-1.0	-50.87	238.20	3.61	-47.26
CC1=C(C(F)(F)F)C(C(=O)N(C)C2=NN=N[N-]2)=NN1	REAL250004625850	1	26	-1.0	-50.97	238.06	3.63	-47.34
CN(C(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL250004625851	0	29	-1.0	-52.63	261.92	6.21	-46.42
CN(C(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL250004625851	1	29	-1.0	-52.50	262.07	6.21	-46.29
CN(C(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL250004625852	0	25	-1.0	-51.07	233.96	4.77	-46.30
CN(C(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL250004625852	1	25	-1.0	-51.19	233.82	4.76	-46.43
CN(C(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL250004625853	0	33	-1.0	-48.38	268.05	3.51	-44.87
CN(C(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL250004625853	1	33	-1.0	-48.30	268.19	3.51	-44.79
CC1CCN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C1	REAL250004625854	0	33	-1.0	-50.87	270.22	6.67	-44.20
CC1CCN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C1	REAL250004625854	1	33	-1.0	-50.75	270.41	6.66	-44.09
CN(C(=O)C(C)(C)CN1CCOCC1)C1=N[N-]N=N1	REAL250004625855	1	38	-1.0	-32.21	277.49	2.15	-30.06
CN(C(=O)C(C)(C)CN1CCOCC1)C1=NN=N[N-]1	REAL250004625855	1	38	-1.0	-32.12	277.18	2.04	-30.08
CN(C(=O)CC1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004625860	0	31	-1.0	-51.22	267.53	6.36	-44.86
CN(C(=O)CC1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004625860	1	31	-1.0	-51.14	267.66	6.32	-44.82
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C(F)C=C1	REAL250004625861	0	30	-1.0	-44.86	261.35	6.23	-38.63
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C(F)C=C1	REAL250004625861	1	30	-1.0	-44.76	261.49	6.20	-38.56
CN(C(=O)C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL250004625862	0	26	-1.0	-49.64	238.20	3.93	-45.71
CN(C(=O)C1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL250004625862	1	26	-1.0	-49.68	238.05	3.97	-45.71
CC1=NOC(C2(C(=O)N(C)C3=N[N-]N=N3)CCOCC2)=C1	REAL250004625863	0	36	-1.0	-42.51	282.29	4.04	-38.47
CC1=NOC(C2(C(=O)N(C)C3=NN=N[N-]3)CCOCC2)=C1	REAL250004625863	1	36	-1.0	-42.64	282.15	4.06	-38.58
CN(C(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004625864	0	35	-1.0	-50.90	291.23	7.15	-43.75
CN(C(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004625864	1	35	-1.0	-50.74	291.41	7.14	-43.60
CN(C(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004625865	0	35	-1.0	-47.59	271.92	5.47	-42.12
CN(C(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004625865	1	35	-1.0	-47.55	272.06	5.46	-42.09
CN(C(=O)CC1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL250004625866	0	31	-1.0	-50.14	270.87	6.44	-43.70
CN(C(=O)CC1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL250004625866	1	31	-1.0	-50.20	270.73	6.48	-43.72
CN(C(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=N[N-]N=N1	REAL250004625867	0	37	-1.0	-49.54	295.23	7.93	-41.61
CN(C(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NN=N[N-]1	REAL250004625867	1	37	-1.0	-49.63	295.10	7.95	-41.68
CN(C(=O)COCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL250004625868	0	31	-1.0	-53.50	285.20	6.74	-46.76
CN(C(=O)COCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL250004625868	1	31	-1.0	-53.59	285.07	6.76	-46.83
COC1=CC(COCC(=O)N(C)C2=N[N-]N=N2)=CC=N1	REAL250004625869	0	33	-1.0	-54.65	291.43	3.06	-51.59
COC1=CC(COCC(=O)N(C)C2=NN=N[N-]2)=CC=N1	REAL250004625869	1	33	-1.0	-54.72	291.30	3.08	-51.64
COC1=CC=C(COCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004625870	0	33	-1.0	-54.42	291.25	3.06	-51.36
COC1=CC=C(COCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004625870	1	33	-1.0	-54.33	291.39	3.03	-51.30
CN(C(=O)COCC1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL250004625871	0	30	-1.0	-70.09	266.90	3.35	-66.74
CN(C(=O)COCC1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL250004625871	1	30	-1.0	-70.18	266.76	3.38	-66.80
CN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004625872	0	30	-1.0	-47.66	254.70	5.97	-41.69
CN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004625872	1	30	-1.0	-47.79	254.57	6.00	-41.79
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1F	REAL250004625873	0	26	-1.0	-53.38	232.62	5.66	-47.72
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1F	REAL250004625873	1	26	-1.0	-53.32	232.76	5.67	-47.65
CN(C(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004625874	0	26	-1.0	-46.51	263.33	6.97	-39.54
CN(C(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004625874	1	26	-1.0	-46.57	263.19	7.01	-39.56
CSC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625875	0	28	-1.0	-47.37	271.69	6.76	-40.61
CSC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625875	1	28	-1.0	-47.45	271.54	6.78	-40.67
CC(=O)N[C@H](CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625876	0	35	-1.0	-35.65	266.98	3.32	-32.33
CC(=O)N[C@H](CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625876	1	35	-1.0	-35.71	266.82	3.33	-32.38
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2C=C1	REAL250004625877	0	29	-1.0	-50.87	253.96	7.04	-43.83
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2C=C1	REAL250004625877	1	29	-1.0	-50.80	254.11	7.02	-43.78
CN(C(=O)C1=CN=CC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL250004625878	0	33	-1.0	-44.48	269.93	3.67	-40.81
CN(C(=O)C1=CN=CC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL250004625878	1	33	-1.0	-44.45	270.07	3.66	-40.79
CN(C(=O)C1=CC2=NC=CC=C2S1)C1=NN=N[N-]1	REAL250004625879	0	25	-1.0	-49.07	234.11	4.36	-44.71
CN(C(=O)C1=CC2=NC=CC=C2S1)C1=N[N-]N=N1	REAL250004625879	1	25	-1.0	-49.00	234.25	4.36	-44.64
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL250004625880	0	23	-1.0	-45.92	239.11	5.97	-39.95
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL250004625880	1	23	-1.0	-45.96	238.97	5.97	-39.99
CN(C(=O)C1=CC=NN1CC1CCC1)C1=NN=N[N-]1	REAL250004625881	0	33	-1.0	-45.18	270.31	5.65	-39.53
CN(C(=O)C1=CC=NN1CC1CCC1)C1=N[N-]N=N1	REAL250004625881	1	33	-1.0	-45.07	270.45	5.64	-39.43
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=C1	REAL250004625882	0	30	-1.0	-46.59	268.50	5.54	-41.05
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=C1	REAL250004625882	1	30	-1.0	-46.55	268.65	5.53	-41.02
CN(C(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004625883	0	32	-1.0	-48.04	266.76	3.05	-44.99
CN(C(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004625883	1	32	-1.0	-48.00	266.89	3.01	-44.99
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL250004625884	0	36	-1.0	-51.17	300.58	6.68	-44.49
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL250004625884	1	36	-1.0	-51.08	300.72	6.68	-44.40
CN(C(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004625885	0	34	-1.0	-41.68	293.94	6.20	-35.48
CN(C(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004625885	1	34	-1.0	-41.63	294.07	6.19	-35.44
CN(C(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004625886	0	33	-1.0	-48.97	286.91	8.65	-40.32
CN(C(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004625886	1	33	-1.0	-48.88	287.06	8.65	-40.23
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=NN1	REAL250004625887	0	26	-1.0	-46.95	249.55	3.35	-43.60
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=NN1	REAL250004625887	1	26	-1.0	-46.90	249.69	3.33	-43.57
CN(C(=O)C1=CC=CC2=C1C(=O)CC2)C1=NN=N[N-]1	REAL250004625888	0	29	-1.0	-63.38	243.92	7.30	-56.08
CN(C(=O)C1=CC=CC2=C1C(=O)CC2)C1=N[N-]N=N1	REAL250004625888	1	29	-1.0	-63.34	244.06	7.31	-56.03
CN(C(=O)C1=CNN=C1C1=CC=CO1)C1=NN=N[N-]1	REAL250004625889	0	27	-1.0	-55.20	241.81	3.99	-51.21
CN(C(=O)C1=CNN=C1C1=CC=CO1)C1=N[N-]N=N1	REAL250004625889	1	27	-1.0	-54.80	247.94	3.17	-51.63
CN(C(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL250004625890	0	32	-1.0	-49.17	271.06	3.93	-45.24
CN(C(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL250004625890	1	32	-1.0	-49.04	271.20	3.94	-45.10
CN(C(=O)C1=CC=CC(C(F)F)=C1F)C1=N[N-]N=N1	REAL250004625891	0	26	-1.0	-59.62	243.10	5.95	-53.67
CN(C(=O)C1=CC=CC(C(F)F)=C1F)C1=NN=N[N-]1	REAL250004625891	1	26	-1.0	-59.67	242.95	5.95	-53.72
CN(C(=O)C1CC1(C)Br)C1=N[N-]N=N1	REAL250004625892	0	23	-1.0	-43.26	217.33	5.03	-38.23
CN(C(=O)C1CC1(C)Br)C1=NN=N[N-]1	REAL250004625892	1	23	-1.0	-43.32	217.19	5.05	-38.27
CN(C(=O)C1=CN(CC2CCOC2)N=N1)C1=NN=N[N-]1	REAL250004625893	0	33	-1.0	-48.86	281.06	2.89	-45.97
CN(C(=O)C1=CN(CC2CCOC2)N=N1)C1=N[N-]N=N1	REAL250004625893	1	33	-1.0	-48.84	281.21	2.87	-45.97
CN(C(=O)CCC1=NN=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004625894	0	27	-1.0	-48.80	256.44	-0.02	-48.82
CN(C(=O)CCC1=NN=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004625894	1	27	-1.0	-48.86	256.30	0.00	-48.86
CN(C(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004625895	0	40	-1.0	-50.06	312.15	8.94	-41.12
CN(C(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004625895	1	40	-1.0	-50.12	312.03	8.95	-41.17
CN(C(=O)C(C)(C)C1CCCCO1)C1=N[N-]N=N1	REAL250004625896	0	36	-1.0	-33.92	262.87	5.32	-28.60
CN(C(=O)C(C)(C)C1CCCCO1)C1=NN=N[N-]1	REAL250004625896	1	36	-1.0	-33.97	262.75	5.33	-28.64
CN(C(=O)C1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625897	0	29	-1.0	-52.80	253.77	5.59	-47.21
CN(C(=O)C1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625897	1	29	-1.0	-52.73	253.92	5.56	-47.17
CN(C(=O)C1CCC1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004625898	0	33	-1.0	-54.20	269.20	7.38	-46.82
CN(C(=O)C1CCC1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004625898	1	33	-1.0	-54.30	269.07	7.40	-46.90
CN(C(=O)CN1CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004625899	0	28	-1.0	-54.90	252.53	2.86	-52.04
CN(C(=O)CN1CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004625899	1	28	-1.0	-54.98	252.39	2.89	-52.09
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625900	0	41	-1.0	-45.10	292.79	7.93	-37.17
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625900	1	41	-1.0	-45.12	292.65	7.94	-37.18
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625901	0	38	-1.0	-44.73	301.84	6.67	-38.06
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625901	1	38	-1.0	-44.75	301.73	6.69	-38.06
CSCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL250004625902	0	35	-1.0	-47.87	300.58	7.33	-40.54
CSCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL250004625902	1	35	-1.0	-47.91	300.45	7.37	-40.54
CCC1=C(CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004625903	0	35	-1.0	-51.79	296.36	7.84	-43.95
CCC1=C(CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004625903	1	35	-1.0	-51.68	296.50	7.81	-43.87
CN(C(=O)C=CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625904	0	28	-1.0	-47.96	264.40	7.04	-40.92
CN(C(=O)C=CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625904	1	28	-1.0	-48.04	264.25	7.06	-40.98
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL250004625905	0	35	-1.0	-53.03	293.15	5.98	-47.05
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL250004625905	1	35	-1.0	-52.95	293.35	5.96	-46.99
CC1=CN(C2CCOCC2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004625906	0	37	-1.0	-49.39	298.64	4.92	-44.47
CC1=CN(C2CCOCC2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004625906	1	37	-1.0	-49.29	298.79	4.91	-44.38
CN(C(=O)C1=CC=NC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004625907	0	22	-1.0	-46.05	228.61	4.05	-42.00
CN(C(=O)C1=CC=NC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004625907	1	22	-1.0	-46.01	228.75	4.04	-41.97
CN(C(=O)CC(O)C(Cl)(Cl)Cl)C1=N[N-]N=N1	REAL250004625908	0	23	-1.0	-44.86	244.62	3.07	-41.79
CN(C(=O)CC(O)C(Cl)(Cl)Cl)C1=NN=N[N-]1	REAL250004625908	1	23	-1.0	-44.94	244.49	3.10	-41.84
CN(C(=O)C1=CN=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL250004625909	0	29	-1.0	-56.97	261.69	3.50	-53.47
CN(C(=O)C1=CN=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL250004625909	1	29	-1.0	-56.67	262.01	3.57	-53.10
CN(C(=O)CC1C(=O)N=CNC1=O)C1=N[N-]N=N1	REAL250004625910	0	26	-1.0	-64.71	232.65	1.98	-62.73
CN(C(=O)CC1C(=O)N=CNC1=O)C1=NN=N[N-]1	REAL250004625910	1	26	-1.0	-64.78	232.52	2.01	-62.77
CN(C(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL250004625911	0	35	-1.0	-47.71	293.34	7.53	-40.18
CN(C(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL250004625911	1	35	-1.0	-47.66	293.48	7.50	-40.16
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004625912	0	29	-1.0	-47.98	257.46	6.44	-41.54
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004625912	1	29	-1.0	-48.05	257.33	6.43	-41.62
CCOC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625913	0	36	-1.0	-47.83	302.63	7.00	-40.83
CCOC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625913	1	36	-1.0	-47.91	302.49	7.03	-40.88
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625914	0	42	-1.0	-44.16	324.94	5.98	-38.18
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625914	1	42	-1.0	-44.21	324.80	6.00	-38.21
CC1=CN2CCC(C(=O)N(C)C3=N[N-]N=N3)CC2=N1	REAL250004625915	0	33	-1.0	-39.10	266.21	6.09	-33.01
CC1=CN2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2=N1	REAL250004625915	1	33	-1.0	-39.78	265.46	5.86	-33.92
CN(C(=O)CC1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL250004625916	0	33	-1.0	-52.30	273.62	5.35	-46.95
CN(C(=O)CC1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL250004625916	1	33	-1.0	-52.37	273.48	5.39	-46.98
CC1=CN2C=C(CC(=O)N(C)C3=N[N-]N=N3)N=C2S1	REAL250004625917	0	29	-1.0	-60.58	268.32	6.61	-53.97
CC1=CN2C=C(CC(=O)N(C)C3=NN=N[N-]3)N=C2S1	REAL250004625917	1	29	-1.0	-60.69	268.19	6.64	-54.05
COC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004625919	0	27	-1.0	-48.43	260.63	4.89	-43.54
COC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004625919	1	27	-1.0	-48.51	260.49	4.91	-43.60
CN(C(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL250004625920	0	29	-1.0	-53.51	271.15	6.33	-47.18
CN(C(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL250004625920	1	29	-1.0	-53.44	271.30	6.33	-47.11
CN(C(=O)C1(C)COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004625921	0	32	-1.0	-49.08	263.56	5.72	-43.36
CN(C(=O)C1(C)COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004625921	1	32	-1.0	-49.17	263.43	5.73	-43.44
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625922	0	33	-1.0	-50.32	288.56	6.81	-43.51
COC(=O)C=CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625922	1	33	-1.0	-50.20	288.70	6.82	-43.38
CN(C(=O)CC1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004625923	0	31	-1.0	-54.58	264.79	6.11	-48.47
CN(C(=O)CC1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004625923	1	31	-1.0	-54.65	264.65	6.12	-48.53
CC(C)CC1(C(=O)N(C)C2=N[N-]N=N2)CCNC1=O	REAL250004625924	0	36	-1.0	-54.90	272.79	2.64	-52.26
CC(C)CC1(C(=O)N(C)C2=NN=N[N-]2)CCNC1=O	REAL250004625924	1	36	-1.0	-55.01	272.65	2.64	-52.37
CN(C(=O)CC1=CC=C(O)C(Cl)=C1)C1=N[N-]N=N1	REAL250004625925	0	27	-1.0	-49.85	256.91	3.66	-46.19
CN(C(=O)CC1=CC=C(O)C(Cl)=C1)C1=NN=N[N-]1	REAL250004625925	1	27	-1.0	-49.93	256.78	3.70	-46.23
CC1=CC(C)=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004625926	0	36	-1.0	-48.24	294.67	8.20	-40.04
CC1=CC(C)=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004625926	1	36	-1.0	-48.14	294.82	8.19	-39.95
CN(C(=O)C1(C)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004625927	0	32	-1.0	-30.01	242.07	5.22	-24.79
CN(C(=O)C1(C)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004625927	1	32	-1.0	-30.05	241.93	5.25	-24.80
CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004625928	0	32	-1.0	-48.70	252.67	6.01	-42.69
CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004625928	1	32	-1.0	-48.82	252.53	6.02	-42.80
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004625929	0	30	-1.0	-48.85	273.74	7.68	-41.17
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004625929	1	30	-1.0	-48.97	273.60	7.71	-41.26
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004625930	0	29	-1.0	-32.99	264.52	4.86	-28.13
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004625930	1	29	-1.0	-32.95	264.66	4.85	-28.10
CC1=CC=CC(COC(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625931	0	36	-1.0	-51.77	301.99	7.53	-44.24
CC1=CC=CC(COC(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625931	1	36	-1.0	-51.84	301.86	7.55	-44.29
CN(C(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004625932	0	30	-1.0	-52.94	272.46	7.29	-45.65
CN(C(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004625932	1	30	-1.0	-53.05	272.31	7.30	-45.75
CN(C(=O)C=CC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL250004625933	0	31	-1.0	-51.91	270.10	6.51	-45.40
CN(C(=O)C=CC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL250004625933	1	31	-1.0	-51.79	270.25	6.51	-45.28
COC(=O)C1=COC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625934	0	30	-1.0	-51.41	278.28	5.36	-46.05
COC(=O)C1=COC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625934	1	30	-1.0	-51.48	278.13	5.37	-46.11
CN(C(=O)C1=CN(CC2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004625935	0	36	-1.0	-47.63	291.07	6.25	-41.38
CN(C(=O)C1=CN(CC2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004625935	1	36	-1.0	-47.55	291.21	6.22	-41.33
COCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004625936	0	30	-1.0	-47.28	259.63	2.63	-44.65
COCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004625936	1	30	-1.0	-47.20	259.77	2.60	-44.60
COCCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004625937	0	33	-1.0	-46.31	278.65	3.08	-43.23
COCCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004625937	1	33	-1.0	-46.40	278.51	3.09	-43.31
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=N[N-]N=N1	REAL250004625938	0	36	-1.0	-47.65	290.48	8.14	-39.51
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NN=N[N-]1	REAL250004625938	1	36	-1.0	-47.74	290.34	8.17	-39.57
COC1=CC(C)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004625939	0	33	-1.0	-48.24	271.61	5.65	-42.59
COC1=CC(C)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004625939	1	33	-1.0	-48.14	271.75	5.65	-42.49
CN(C(=O)CC1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004625940	0	33	-1.0	-49.19	276.95	7.94	-41.25
CN(C(=O)CC1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004625940	1	33	-1.0	-49.27	276.82	7.96	-41.31
CN(C(=O)CC1=COC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL250004625941	0	29	-1.0	-49.63	274.42	6.84	-42.79
CN(C(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL250004625941	1	29	-1.0	-49.69	274.28	6.88	-42.81
CCC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC=C1	REAL250004625942	0	33	-1.0	-46.21	276.52	6.94	-39.27
CCC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC=C1	REAL250004625942	1	33	-1.0	-46.18	276.66	6.90	-39.28
CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004625943	0	28	-1.0	-48.97	236.99	3.39	-45.58
CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004625943	1	28	-1.0	-49.10	236.85	3.41	-45.69
CN(C(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL250004625944	0	35	-1.0	-46.14	299.30	8.92	-37.22
CN(C(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL250004625944	1	35	-1.0	-46.22	299.16	8.96	-37.26
CCOC(=O)C1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004625945	0	39	-1.0	-54.69	306.52	5.48	-49.21
CCOC(=O)C1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004625945	1	39	-1.0	-54.77	306.38	5.49	-49.28
CN(C(=O)C1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL250004625946	0	24	-1.0	-45.54	235.46	2.69	-42.85
CN(C(=O)C1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL250004625946	1	24	-1.0	-45.67	235.32	2.68	-42.99
CN(C(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=N[N-]N=N1	REAL250004625947	0	31	-1.0	-44.61	280.68	8.32	-36.29
CN(C(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NN=N[N-]1	REAL250004625947	1	31	-1.0	-44.71	280.54	8.34	-36.37
CN(C(=O)C1CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL250004625948	0	27	-1.0	-46.00	250.23	6.97	-39.03
CN(C(=O)C1CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL250004625948	1	27	-1.0	-46.11	250.09	6.99	-39.12
CN(C(=O)C1=CC=C(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL250004625949	0	37	-1.0	-47.91	294.28	6.28	-41.63
CN(C(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL250004625949	1	37	-1.0	-47.96	294.13	6.28	-41.68
CN(C(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NN=N[N-]1	REAL250004625950	0	32	-1.0	-47.21	271.05	1.32	-45.89
CN(C(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=N[N-]N=N1	REAL250004625950	1	32	-1.0	-47.15	271.19	1.33	-45.82
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1O	REAL250004625951	0	32	-1.0	-51.11	279.08	3.62	-47.49
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1O	REAL250004625951	1	32	-1.0	-51.23	278.93	3.63	-47.60
CN(C(=O)C1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625952	0	28	-1.0	-49.93	244.26	5.29	-44.64
CN(C(=O)C1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625952	1	28	-1.0	-49.84	244.40	5.30	-44.54
CN(C(=O)CCC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL250004625953	0	32	-1.0	-46.85	283.45	7.65	-39.20
CN(C(=O)CCC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL250004625953	1	32	-1.0	-46.87	283.31	7.68	-39.19
CN(C(=O)C1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL250004625954	0	25	-1.0	-49.48	232.02	3.98	-45.50
CN(C(=O)C1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL250004625954	1	25	-1.0	-49.43	232.16	3.98	-45.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004625955	0	33	-1.0	-44.68	282.65	3.41	-41.27
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004625955	1	33	-1.0	-44.80	282.51	3.43	-41.37
CN(C(=O)C1=C(N)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004625956	0	27	-1.0	-49.50	247.79	2.56	-46.94
CN(C(=O)C1=C(N)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004625956	1	27	-1.0	-49.40	247.94	2.56	-46.84
CN(C(=O)C1=CN=C(NC2CC2)S1)C1=NN=N[N-]1	REAL250004625957	0	28	-1.0	-47.00	256.52	3.79	-43.21
CN(C(=O)C1=CN=C(NC2CC2)S1)C1=N[N-]N=N1	REAL250004625957	1	28	-1.0	-46.89	256.68	3.78	-43.11
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004625958	0	30	-1.0	-48.38	261.68	6.61	-41.77
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004625958	1	30	-1.0	-48.45	261.55	6.63	-41.82
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCOC1	REAL250004625959	0	34	-1.0	-50.48	270.28	3.81	-46.67
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCOC1	REAL250004625959	1	34	-1.0	-50.52	270.15	3.84	-46.68
COC1=CC=CC(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625960	0	36	-1.0	-47.87	282.23	5.93	-41.94
COC1=CC=CC(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625960	1	36	-1.0	-47.94	282.10	5.94	-42.00
CN(C(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL250004625961	0	38	-1.0	-47.85	298.10	7.91	-39.94
CN(C(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL250004625961	1	38	-1.0	-47.79	298.24	7.92	-39.87
CCOC1COCCC1CC(=O)N(C)C1=N[N-]N=N1	REAL250004625962	0	37	-1.0	-46.59	293.16	4.23	-42.36
CCOC1COCCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004625962	1	37	-1.0	-46.66	293.02	4.25	-42.41
CN(C(=O)C=CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625963	0	33	-1.0	-48.03	285.08	8.15	-39.88
CN(C(=O)C=CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625963	1	33	-1.0	-48.12	284.94	8.17	-39.95
CN(C(=O)C=CCOC1CCOCC1)C1=N[N-]N=N1	REAL250004625964	0	35	-1.0	-50.89	290.89	3.88	-47.01
CN(C(=O)C=CCOC1CCOCC1)C1=NN=N[N-]1	REAL250004625964	1	35	-1.0	-50.95	290.75	3.91	-47.04
CN(C(=O)C=CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004625965	0	26	-1.0	-47.66	250.67	5.13	-42.53
CN(C(=O)C=CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004625965	1	26	-1.0	-47.74	250.52	5.13	-42.61
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004625966	0	30	-1.0	-47.02	279.82	5.52	-41.50
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004625966	1	30	-1.0	-47.09	279.68	5.52	-41.57
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL250004625967	0	33	-1.0	-51.86	283.02	6.22	-45.64
CN(C(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL250004625967	1	33	-1.0	-51.77	283.16	6.23	-45.54
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=C1	REAL250004625968	0	29	-1.0	-48.31	262.75	4.56	-43.75
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=C1	REAL250004625968	1	29	-1.0	-48.37	262.62	4.58	-43.79
CN(C(=O)CC1=CN2C=C(F)C=CC2=N1)C1=N[N-]N=N1	REAL250004625969	0	29	-1.0	-56.69	262.39	6.65	-50.04
CN(C(=O)CC1=CN2C=C(F)C=CC2=N1)C1=NN=N[N-]1	REAL250004625969	1	29	-1.0	-56.78	262.25	6.68	-50.10
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004625970	0	35	-1.0	-54.74	288.60	6.32	-48.42
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004625970	1	35	-1.0	-54.84	288.45	6.35	-48.49
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004625971	0	32	-1.0	-48.33	273.60	6.10	-42.23
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004625971	1	32	-1.0	-48.25	273.74	6.10	-42.15
COC1=CN=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004625972	0	26	-1.0	-50.91	233.27	3.59	-47.32
COC1=CN=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004625972	1	26	-1.0	-50.84	233.42	3.56	-47.28
CN(C(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL250004625973	0	35	-1.0	-63.08	285.29	5.71	-57.37
CN(C(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL250004625973	1	35	-1.0	-63.00	285.41	5.70	-57.30
CC1=CSC2=NC(CC(=O)N(C)C3=N[N-]N=N3)=CN12	REAL250004625974	0	29	-1.0	-60.62	267.73	6.35	-54.27
CC1=CSC2=NC(CC(=O)N(C)C3=NN=N[N-]3)=CN12	REAL250004625974	1	29	-1.0	-60.66	267.59	6.38	-54.28
CN(C(=O)CN1C=NC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625975	0	33	-1.0	-51.88	281.47	7.98	-43.90
CN(C(=O)CN1C=NC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625975	1	33	-1.0	-51.95	281.33	8.01	-43.94
CN(C(=O)C1=CC=CN(C2CC2)C1=O)C1=NN=N[N-]1	REAL250004625976	0	30	-1.0	-66.74	262.03	5.34	-61.40
CN(C(=O)C1=CC=CN(C2CC2)C1=O)C1=N[N-]N=N1	REAL250004625976	1	30	-1.0	-66.69	262.18	5.33	-61.36
CN(C(=O)CN1CCCCC(=O)C1=O)C1=N[N-]N=N1	REAL250004625977	0	32	-1.0	-61.35	271.66	4.11	-57.24
CN(C(=O)CN1CCCCC(=O)C1=O)C1=NN=N[N-]1	REAL250004625977	1	32	-1.0	-61.43	271.53	4.13	-57.30
CN(C(=O)C1CC2CCCCC(C1)C2=O)C1=N[N-]N=N1	REAL250004625978	0	38	-1.0	-46.15	276.07	6.39	-39.76
CN(C(=O)C1CC2CCCCC(C1)C2=O)C1=NN=N[N-]1	REAL250004625978	1	38	-1.0	-46.21	275.94	6.41	-39.80
CN(C(=O)C(CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004625979	0	37	-1.0	-35.19	299.13	-0.38	-35.57
CN(C(=O)C(CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004625979	1	37	-1.0	-35.28	298.99	-0.39	-35.67
CN(C(=O)CC1=NC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004625980	0	25	-1.0	-47.87	242.91	4.11	-43.76
CN(C(=O)CC1=NC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004625980	1	25	-1.0	-47.98	242.78	4.15	-43.83
C=CC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625981	0	31	-1.0	-61.89	269.75	4.32	-57.57
C=CC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625981	1	31	-1.0	-61.82	269.89	4.32	-57.50
CCOC1CC2(CC2C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004625982	0	34	-1.0	-51.32	280.75	5.60	-45.72
CCOC1CC2(CC2C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004625982	1	34	-1.0	-51.38	280.62	5.63	-45.75
CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL250004625983	0	34	-1.0	-58.95	286.05	1.96	-56.99
CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL250004625983	1	34	-1.0	-59.01	285.92	2.00	-57.01
CN(C(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004625984	0	24	-1.0	-41.96	234.28	5.04	-36.92
CN(C(=O)C1=CC(C(F)(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004625984	1	24	-1.0	-41.92	234.42	5.04	-36.88
CCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625985	0	29	-1.0	-45.96	256.94	6.19	-39.77
CCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625985	1	29	-1.0	-45.86	257.09	6.18	-39.68
CN(C(=O)CCCOC1CCOCC1)C1=N[N-]N=N1	REAL250004625986	0	37	-1.0	-51.33	299.98	4.08	-47.25
CN(C(=O)CCCOC1CCOCC1)C1=NN=N[N-]1	REAL250004625986	1	37	-1.0	-51.41	299.84	4.10	-47.31
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CC2)=N1	REAL250004625987	0	33	-1.0	-50.76	280.48	5.75	-45.01
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CC2)=N1	REAL250004625987	1	33	-1.0	-50.66	280.62	5.73	-44.93
CC1=CC2=C(SC=C2CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004625988	0	29	-1.0	-48.95	279.36	7.20	-41.75
CC1=CC2=C(SC=C2CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004625988	1	29	-1.0	-49.02	279.22	7.24	-41.78
CN(C(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004625989	0	40	-1.0	-48.34	322.16	4.02	-44.32
CN(C(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004625989	1	40	-1.0	-48.38	322.03	4.04	-44.34
C[C@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004625990	0	39	-1.0	-54.45	315.72	4.02	-50.43
C[C@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004625990	1	39	-1.0	-54.53	315.58	4.05	-50.48
CN(C(=O)C1=CNN=C1C1CCCO1)C1=NN=N[N-]1	REAL250004625991	0	31	-1.0	-50.91	260.88	2.21	-48.70
CN(C(=O)C1=CNN=C1C1CCCO1)C1=N[N-]N=N1	REAL250004625991	1	31	-1.0	-50.79	261.03	2.18	-48.61
CN(C(=O)C1=C(C2CC2)NN=C1Cl)C1=N[N-]N=N1	REAL250004625992	0	27	-1.0	-46.61	258.22	4.18	-42.43
CN(C(=O)C1=C(C2CC2)NN=C1Cl)C1=NN=N[N-]1	REAL250004625992	1	27	-1.0	-46.67	258.08	4.20	-42.47
COC(C(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004625993	0	35	-1.0	-49.05	286.07	5.44	-43.61
COC(C(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004625993	1	35	-1.0	-49.12	285.94	5.46	-43.66
CN(C(=O)CCC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004625994	0	35	-1.0	-47.33	293.75	8.89	-38.44
CN(C(=O)CCC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004625994	1	35	-1.0	-47.42	293.62	8.93	-38.49
CC(CCC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004625995	0	35	-1.0	-49.61	290.43	7.86	-41.75
CC(CCC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004625995	1	35	-1.0	-49.68	290.29	7.88	-41.80
CN(C(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004625996	0	35	-1.0	-45.46	281.65	7.60	-37.86
CN(C(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004625996	1	35	-1.0	-45.56	281.52	7.62	-37.94
CN(C(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=NN=N[N-]1	REAL250004625997	0	25	-1.0	-46.34	250.21	4.89	-41.45
CN(C(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=N[N-]N=N1	REAL250004625997	1	25	-1.0	-46.27	250.35	4.87	-41.40
COCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004625998	0	30	-1.0	-46.07	260.89	4.85	-41.22
COCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004625998	1	30	-1.0	-46.01	261.03	4.86	-41.15
CCN1N=CN=C1C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004625999	0	35	-1.0	-47.88	291.54	7.39	-40.49
CCN1N=CN=C1C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004625999	1	35	-1.0	-47.78	291.68	7.40	-40.38
CN(C(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=NN=N[N-]1	REAL250004626000	0	25	-1.0	-43.82	250.59	4.88	-38.94
CN(C(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=N[N-]N=N1	REAL250004626000	1	25	-1.0	-43.75	250.73	4.87	-38.88
CN(C(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL250004626001	0	30	-1.0	-47.02	261.01	7.04	-39.98
CN(C(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL250004626001	1	30	-1.0	-46.95	261.15	7.02	-39.93
CN(C(=O)C1CCC12CCOCC2)C1=N[N-]N=N1	REAL250004626002	0	34	-1.0	-50.63	261.32	4.49	-46.14
CN(C(=O)C1CCC12CCOCC2)C1=NN=N[N-]1	REAL250004626002	1	34	-1.0	-50.73	261.19	4.52	-46.21
CN(C(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004626003	0	33	-1.0	-53.95	289.06	5.30	-48.65
CN(C(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004626003	1	33	-1.0	-53.91	289.20	5.30	-48.61
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCOCC1	REAL250004626004	0	37	-1.0	-50.94	289.66	4.60	-46.34
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCOCC1	REAL250004626004	1	37	-1.0	-50.98	289.52	4.62	-46.36
CCOC(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004626005	0	36	-1.0	-47.20	274.17	6.05	-41.15
CCOC(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004626005	1	36	-1.0	-47.29	274.04	6.06	-41.23
CN(C(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL250004626006	0	34	-1.0	-47.63	280.34	6.14	-41.49
CN(C(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL250004626006	1	34	-1.0	-47.60	280.48	6.15	-41.45
CN(C(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004626007	0	25	-1.0	-64.01	240.15	6.08	-57.93
CN(C(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004626007	1	25	-1.0	-63.90	240.30	6.05	-57.85
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004626008	0	31	-1.0	-52.10	280.34	4.83	-47.27
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004626008	1	31	-1.0	-52.01	280.47	4.79	-47.22
CC(=O)NC1=CC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626009	0	29	-1.0	-47.97	259.90	2.24	-45.73
CC(=O)NC1=CC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626009	1	29	-1.0	-47.90	260.04	2.24	-45.66
CN(C(=O)C1=CC=NC=C1N1CCOCC1)C1=NN=N[N-]1	REAL250004626010	0	35	-1.0	-47.93	285.57	2.68	-45.25
CN(C(=O)C1=CC=NC=C1N1CCOCC1)C1=N[N-]N=N1	REAL250004626010	1	35	-1.0	-47.91	285.70	2.68	-45.23
CN(C(=O)C1=CON=C1C1CCCC1)C1=N[N-]N=N1	REAL250004626011	0	32	-1.0	-45.73	266.46	5.74	-39.99
CN(C(=O)C1=CON=C1C1CCCC1)C1=NN=N[N-]1	REAL250004626011	1	32	-1.0	-45.83	266.31	5.76	-40.07
CN(C(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=N[N-]N=N1	REAL250004626012	0	36	-1.0	-46.66	288.56	1.18	-45.48
CN(C(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=NN=N[N-]1	REAL250004626012	1	36	-1.0	-46.74	288.44	1.21	-45.53
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626013	0	34	-1.0	-43.94	288.28	6.99	-36.95
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626013	1	34	-1.0	-44.01	288.15	7.02	-36.99
CN(C(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1=N[N-]N=N1	REAL250004626015	0	35	-1.0	-53.59	258.08	5.41	-48.18
CN(C(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1=NN=N[N-]1	REAL250004626015	1	35	-1.0	-53.63	257.95	5.43	-48.20
CSC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626016	0	26	-1.0	-54.66	251.85	2.37	-52.29
CSC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626016	1	26	-1.0	-54.75	251.72	2.38	-52.37
CN(C(=O)C(C)(C)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004626017	0	33	-1.0	-49.03	263.61	3.79	-45.24
CN(C(=O)C(C)(C)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004626017	1	33	-1.0	-48.94	263.75	3.79	-45.15
CN(C(=O)C1(Cl)CC2CCC1O2)C1=N[N-]N=N1	REAL250004626018	0	28	-1.0	-42.29	232.00	3.40	-38.89
CN(C(=O)C1(Cl)CC2CCC1O2)C1=NN=N[N-]1	REAL250004626018	1	28	-1.0	-42.38	231.86	3.43	-38.95
CN(C(=O)C1=CNC2=CC=CC(C#N)=C12)C1=NN=N[N-]1	REAL250004626019	0	28	-1.0	-67.61	246.72	5.26	-62.35
CN(C(=O)C1=CNC2=CC=CC(C#N)=C12)C1=N[N-]N=N1	REAL250004626019	1	28	-1.0	-67.50	246.86	5.25	-62.25
C=CC(=O)NC1=CC=C(O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626020	0	32	-1.0	-51.77	279.01	2.70	-49.07
C=CC(=O)NC1=CC=C(O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626020	1	32	-1.0	-51.73	279.16	2.69	-49.04
CN(C(=O)C(C)(C)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL250004626022	0	36	-1.0	-34.11	278.79	3.90	-30.21
CN(C(=O)C(C)(C)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL250004626022	1	36	-1.0	-34.24	278.62	3.90	-30.34
CN(C(=O)C1(CC2=CC=C(O)C=C2)CC1)C1=N[N-]N=N1	REAL250004626023	0	34	-1.0	-54.97	289.92	4.92	-50.05
CN(C(=O)C1(CC2=CC=C(O)C=C2)CC1)C1=NN=N[N-]1	REAL250004626023	1	34	-1.0	-55.02	289.77	4.93	-50.09
CN(C(=O)C1=CC=C2C(=C1)N=C(CO)N2C)C1=NN=N[N-]1	REAL250004626024	0	33	-1.0	-58.60	281.60	2.61	-55.99
CN(C(=O)C1=CC=C2C(=C1)N=C(CO)N2C)C1=N[N-]N=N1	REAL250004626024	1	33	-1.0	-58.52	281.74	2.63	-55.89
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626025	0	32	-1.0	-46.61	274.76	3.14	-43.47
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626025	1	32	-1.0	-46.54	274.90	3.12	-43.42
CN(C(=O)C(CCCO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626026	0	36	-1.0	-34.91	292.15	4.48	-30.43
CN(C(=O)C(CCCO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626026	1	36	-1.0	-34.98	292.04	4.50	-30.48
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1O	REAL250004626027	0	31	-1.0	-52.15	270.13	3.10	-49.05
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1O	REAL250004626027	1	31	-1.0	-52.28	269.99	3.14	-49.14
CC(C1=CC=CC=C1F)C(O)C(=O)N(C)C1=N[N-]N=N1	REAL250004626028	0	33	-1.0	-48.81	272.18	5.00	-43.81
CC(C1=CC=CC=C1F)C(O)C(=O)N(C)C1=NN=N[N-]1	REAL250004626028	1	33	-1.0	-48.92	272.04	5.02	-43.90
CN(C(=O)C1=C(C(F)F)N=CS1)C1=N[N-]N=N1	REAL250004626029	0	22	-1.0	-48.61	224.96	3.15	-45.46
CN(C(=O)C1=C(C(F)F)N=CS1)C1=NN=N[N-]1	REAL250004626029	1	22	-1.0	-48.69	224.81	3.16	-45.53
CN(C(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL250004626030	0	33	-1.0	-66.24	282.86	3.28	-62.96
CN(C(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL250004626030	1	33	-1.0	-66.29	282.71	3.29	-63.00
CN(C(=O)C1=NC(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL250004626031	0	31	-1.0	-49.68	267.92	4.50	-45.18
CN(C(=O)C1=NC(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL250004626031	1	31	-1.0	-49.62	268.07	4.46	-45.16
CN(C(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=NN=N[N-]1	REAL250004626032	0	34	-1.0	-46.69	282.93	7.60	-39.09
CN(C(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=N[N-]N=N1	REAL250004626032	1	34	-1.0	-46.63	283.08	7.56	-39.07
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL250004626033	0	29	-1.0	-56.97	256.38	0.68	-56.29
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)NC(=O)N1	REAL250004626033	1	29	-1.0	-57.03	256.24	0.71	-56.32
CN(C(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004626034	0	31	-1.0	-55.51	273.52	5.65	-49.86
CN(C(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004626034	1	31	-1.0	-55.59	273.39	5.68	-49.91
CCC(O)CN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004626035	0	32	-1.0	-49.46	276.49	1.19	-48.27
CCC(O)CN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004626035	1	32	-1.0	-49.40	276.63	1.16	-48.24
CN(C(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL250004626036	0	29	-1.0	-40.83	261.99	5.33	-35.50
CN(C(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL250004626036	1	29	-1.0	-40.80	262.12	5.32	-35.48
CN(C(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=NN=N[N-]1	REAL250004626037	0	33	-1.0	-64.79	285.00	3.44	-61.35
CN(C(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=N[N-]N=N1	REAL250004626037	1	33	-1.0	-64.76	285.13	3.43	-61.33
CN(C(=O)CC1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL250004626038	0	29	-1.0	-50.07	265.50	5.14	-44.93
CN(C(=O)CC1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL250004626038	1	29	-1.0	-50.18	265.37	5.17	-45.01
CCCCCCC(O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004626039	0	41	-1.0	-45.99	329.92	5.18	-40.81
CCCCCCC(O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004626039	1	41	-1.0	-46.04	329.79	5.21	-40.83
COC1=CN=NC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626040	0	29	-1.0	-50.62	260.54	-0.07	-50.69
COC1=CN=NC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626040	1	29	-1.0	-50.54	260.68	-0.09	-50.63
CN(C(=O)CS(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004626041	0	28	-1.0	-55.35	277.09	4.60	-50.75
CN(C(=O)CS(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004626041	1	28	-1.0	-55.41	276.95	4.63	-50.78
CC1CCC2=NNC=C2C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626042	0	33	-1.0	-50.26	262.80	4.34	-45.92
CC1CCC2=NNC=C2C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626042	1	33	-1.0	-50.37	262.67	4.35	-46.02
CN(C(=O)C1=CN=C(CC2CC2)S1)C1=N[N-]N=N1	REAL250004626043	0	29	-1.0	-45.05	262.05	5.07	-39.98
CN(C(=O)C1=CN=C(CC2CC2)S1)C1=NN=N[N-]1	REAL250004626043	1	29	-1.0	-45.16	261.91	5.09	-40.07
CSC1=NC=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626044	0	25	-1.0	-50.11	232.49	3.63	-46.48
CSC1=NC=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626044	1	25	-1.0	-50.05	232.63	3.61	-46.44
CC1=CC2=C(S1)C(CC(=O)N(C)C1=N[N-]N=N1)=CS2	REAL250004626045	0	29	-1.0	-49.16	278.63	7.19	-41.97
CC1=CC2=C(S1)C(CC(=O)N(C)C1=NN=N[N-]1)=CS2	REAL250004626045	1	29	-1.0	-49.20	278.49	7.22	-41.98
CN(C(=O)C1=C2CSCCC2=NN1C)C1=NN=N[N-]1	REAL250004626046	0	31	-1.0	-43.13	274.96	4.94	-38.19
CN(C(=O)C1=C2CSCCC2=NN1C)C1=N[N-]N=N1	REAL250004626046	1	31	-1.0	-43.07	275.10	4.94	-38.13
CC1=CC=C(NC2CC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626047	0	35	-1.0	-48.09	287.84	6.34	-41.75
CC1=CC=C(NC2CC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626047	1	35	-1.0	-48.03	287.98	6.33	-41.70
CCCCNC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004626048	0	36	-1.0	-52.80	314.72	5.41	-47.39
CCCCNC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004626048	1	36	-1.0	-52.86	314.58	5.44	-47.42
CN(C(=O)CCCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626049	0	34	-1.0	-59.21	292.99	7.38	-51.83
CN(C(=O)CCCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626049	1	34	-1.0	-59.29	292.86	7.41	-51.88
CN(C(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004626050	0	29	-1.0	-57.47	267.47	4.28	-53.19
CN(C(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004626050	1	29	-1.0	-57.41	267.61	4.27	-53.14
CN(C(=O)C1=CC=C(CN2CCOCC2)O1)C1=N[N-]N=N1	REAL250004626051	0	36	-1.0	-46.07	296.42	2.65	-43.42
CN(C(=O)C1=CC=C(CN2CCOCC2)O1)C1=NN=N[N-]1	REAL250004626051	1	36	-1.0	-46.17	296.27	2.66	-43.51
CN(C(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NN=N[N-]1	REAL250004626052	0	31	-1.0	-61.06	276.76	-0.05	-61.11
CN(C(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=N[N-]N=N1	REAL250004626052	1	31	-1.0	-60.99	276.90	-0.06	-61.05
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=N[N-]N=N1	REAL250004626053	0	33	-1.0	-46.21	271.47	7.25	-38.96
CN(C(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=NN=N[N-]1	REAL250004626053	1	33	-1.0	-46.23	271.34	7.29	-38.94
CN(C(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004626054	0	39	-1.0	-48.25	306.87	7.18	-41.07
CN(C(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004626054	1	39	-1.0	-48.15	307.01	7.14	-41.01
CN(C(=O)C1=CSC(C2=NC=CN2)=N1)C1=NN=N[N-]1	REAL250004626055	0	26	-1.0	-54.11	251.13	3.49	-50.62
CN(C(=O)C1=CSC(C2=NC=CN2)=N1)C1=N[N-]N=N1	REAL250004626055	1	26	-1.0	-54.08	251.28	3.46	-50.62
CN(C(=O)C1=C(C2CC2)SC=N1)C1=NN=N[N-]1	REAL250004626056	0	26	-1.0	-50.14	236.60	5.24	-44.90
CN(C(=O)C1=C(C2CC2)SC=N1)C1=N[N-]N=N1	REAL250004626056	1	26	-1.0	-50.07	236.74	5.22	-44.85
CC1=CC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626057	0	29	-1.0	-47.78	261.13	6.47	-41.31
CC1=CC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626057	1	29	-1.0	-47.82	260.99	6.50	-41.32
CCN1N=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C1CC1	REAL250004626058	0	33	-1.0	-47.13	270.80	5.41	-41.72
CCN1N=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C1CC1	REAL250004626058	1	33	-1.0	-47.04	270.94	5.40	-41.64
CC1=CN=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626059	0	25	-1.0	-48.94	230.64	4.20	-44.74
CC1=CN=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626059	1	25	-1.0	-48.90	230.78	4.20	-44.70
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004626060	0	30	-1.0	-50.24	264.96	5.14	-45.10
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004626060	1	30	-1.0	-50.33	264.81	5.15	-45.18
CCC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NO2)C=C1	REAL250004626061	0	35	-1.0	-43.92	303.78	8.06	-35.86
CCC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NO2)C=C1	REAL250004626061	1	35	-1.0	-43.82	303.93	8.05	-35.77
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004626062	0	32	-1.0	-42.96	260.75	6.67	-36.29
CN(C(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004626062	1	32	-1.0	-43.05	260.61	6.67	-36.38
COC(=O)C1=NN(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626063	0	29	-1.0	-59.05	265.98	4.06	-54.99
COC(=O)C1=NN(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626063	1	29	-1.0	-58.96	266.12	4.04	-54.92
COC(=O)C1=NN(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626064	0	35	-1.0	-60.57	309.58	5.47	-55.10
COC(=O)C1=NN(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626064	1	35	-1.0	-60.48	309.72	5.45	-55.03
CCCCC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626065	0	37	-1.0	-48.85	319.82	6.76	-42.09
CCCCC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626065	1	37	-1.0	-48.96	319.69	6.78	-42.18
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)SC(C2CCC2)=N1	REAL250004626066	0	35	-1.0	-49.17	303.99	6.61	-42.56
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)SC(C2CCC2)=N1	REAL250004626066	1	35	-1.0	-49.21	303.85	6.64	-42.57
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=NN=N[N-]1	REAL250004626067	0	28	-1.0	-42.39	254.81	4.06	-38.33
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=N[N-]N=N1	REAL250004626067	1	28	-1.0	-42.32	254.96	4.05	-38.27
CN(C(=O)C1=CC=C(Cl)C=C1N)C1=NN=N[N-]1	REAL250004626068	0	25	-1.0	-42.83	232.53	3.58	-39.25
CN(C(=O)C1=CC=C(Cl)C=C1N)C1=N[N-]N=N1	REAL250004626068	1	25	-1.0	-42.76	232.68	3.57	-39.19
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=NN=N[N-]1	REAL250004626069	0	27	-1.0	-41.90	244.25	3.71	-38.19
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=N[N-]N=N1	REAL250004626069	1	27	-1.0	-41.82	244.39	3.68	-38.14
COC(=O)C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626070	0	29	-1.0	-59.83	256.18	6.46	-53.37
COC(=O)C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626070	1	29	-1.0	-59.75	256.31	6.45	-53.30
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL250004626071	0	31	-1.0	-50.88	276.43	0.60	-50.28
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL250004626071	1	31	-1.0	-50.80	276.57	0.59	-50.21
C=CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626072	0	31	-1.0	-55.35	269.97	4.33	-51.02
C=CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626072	1	31	-1.0	-55.29	270.10	4.33	-50.96
CN(C(=O)C1=CC=C(Br)C=C1N)C1=NN=N[N-]1	REAL250004626073	0	25	-1.0	-42.67	237.09	3.68	-38.99
CN(C(=O)C1=CC=C(Br)C=C1N)C1=N[N-]N=N1	REAL250004626073	1	25	-1.0	-42.63	237.24	3.68	-38.95
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=NN=N[N-]1	REAL250004626074	0	32	-1.0	-48.24	275.52	5.49	-42.75
CN(C(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=N[N-]N=N1	REAL250004626074	1	32	-1.0	-48.16	275.66	5.48	-42.68
CN(C(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL250004626075	0	28	-1.0	-48.82	253.15	2.18	-46.64
CN(C(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL250004626075	1	28	-1.0	-48.69	253.29	2.19	-46.50
COC(=O)CCC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626076	0	35	-1.0	-53.18	297.25	7.04	-46.14
COC(=O)CCC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626076	1	35	-1.0	-53.13	297.40	7.04	-46.09
CN(C(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL250004626077	0	34	-1.0	-54.78	286.29	4.38	-50.40
CN(C(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL250004626077	1	34	-1.0	-54.73	286.43	4.39	-50.34
CC1=NC(C(C)C)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626078	0	33	-1.0	-42.03	275.83	4.73	-37.30
CC1=NC(C(C)C)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626078	1	33	-1.0	-42.12	275.68	4.74	-37.38
CN(C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004626079	0	33	-1.0	-55.80	261.58	2.34	-53.46
CN(C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004626079	1	33	-1.0	-55.84	261.48	2.37	-53.47
CN(C(=O)C1=CC=C2C(=O)N=CNC2=C1)C1=NN=N[N-]1	REAL250004626080	0	28	-1.0	-54.19	248.85	3.23	-50.96
CN(C(=O)C1=CC=C2C(=O)N=CNC2=C1)C1=N[N-]N=N1	REAL250004626080	1	28	-1.0	-54.18	248.99	3.23	-50.95
CN(C(=O)CNC(=O)N1CCCC1)C1=N[N-]N=N1	REAL250004626081	0	32	-1.0	-45.54	268.23	2.62	-42.92
CN(C(=O)CNC(=O)N1CCCC1)C1=NN=N[N-]1	REAL250004626081	1	32	-1.0	-45.60	268.09	2.65	-42.95
CN(C(=O)C1CCC2=NN=CN2CC1)C1=N[N-]N=N1	REAL250004626082	0	32	-1.0	-36.73	254.44	6.49	-30.24
CN(C(=O)C1CCC2=NN=CN2CC1)C1=NN=N[N-]1	REAL250004626082	1	32	-1.0	-36.75	254.43	6.53	-30.22
C=CCCCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004626083	0	39	-1.0	-47.41	317.33	8.89	-38.52
C=CCCCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004626083	1	39	-1.0	-47.50	317.20	8.92	-38.58
CN(C(=O)C1(C)OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626084	0	34	-1.0	-47.31	269.04	5.92	-41.39
CN(C(=O)C1(C)OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626084	1	34	-1.0	-47.26	269.18	5.90	-41.36
CC(=O)N(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004626085	0	33	-1.0	-54.23	286.33	6.28	-47.95
CC(=O)N(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004626085	1	33	-1.0	-54.34	286.19	6.30	-48.04
CCNC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004626086	0	30	-1.0	-43.98	269.94	4.48	-39.50
CCNC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004626086	1	30	-1.0	-43.90	270.08	4.47	-39.43
CN(C(=O)C1=NNC=C1Br)C1=N[N-]N=N1	REAL250004626087	0	20	-1.0	-49.57	204.41	2.67	-46.90
CN(C(=O)C1=NNC=C1Br)C1=NN=N[N-]1	REAL250004626087	1	20	-1.0	-49.63	204.27	2.68	-46.95
CN(C(=O)C1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL250004626088	0	24	-1.0	-56.10	229.85	3.35	-52.75
CN(C(=O)C1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL250004626088	1	24	-1.0	-55.99	229.99	3.33	-52.66
CN(C(=O)C1=COC2=CC(O)=CC=C12)C1=NN=N[N-]1	REAL250004626089	0	27	-1.0	-50.83	239.82	2.51	-48.32
CN(C(=O)C1=COC2=CC(O)=CC=C12)C1=N[N-]N=N1	REAL250004626089	1	27	-1.0	-50.73	239.97	2.50	-48.23
COC1=CNC(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004626090	0	27	-1.0	-47.70	235.70	2.65	-45.05
COC1=CNC(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004626090	1	27	-1.0	-47.63	235.80	2.65	-44.98
CN(C(=O)C1=C(F)C=CN=C1Cl)C1=NN=N[N-]1	REAL250004626091	0	22	-1.0	-49.22	226.20	3.75	-45.47
CN(C(=O)C1=C(F)C=CN=C1Cl)C1=N[N-]N=N1	REAL250004626091	1	22	-1.0	-49.16	226.34	3.73	-45.43
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=S)NC(=O)N1	REAL250004626092	0	26	-1.0	-56.85	247.20	1.81	-55.04
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=S)NC(=O)N1	REAL250004626092	1	26	-1.0	-56.77	247.34	1.80	-54.97
CN(C(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL250004626093	0	31	-1.0	-62.03	272.43	5.55	-56.48
CN(C(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL250004626093	1	31	-1.0	-61.94	272.57	5.55	-56.39
CN(C(=O)C1=NC=CC=C1NCC1CCC1)C1=NN=N[N-]1	REAL250004626094	0	37	-1.0	-50.47	308.01	5.00	-45.47
CN(C(=O)C1=NC=CC=C1NCC1CCC1)C1=N[N-]N=N1	REAL250004626094	1	37	-1.0	-50.43	308.15	4.99	-45.44
CC1CNC2=C(C(=O)N(C)C3=NN=N[N-]3)C=NN2C1	REAL250004626095	0	32	-1.0	-48.40	264.61	2.91	-45.49
CC1CNC2=C(C(=O)N(C)C3=N[N-]N=N3)C=NN2C1	REAL250004626095	1	32	-1.0	-48.31	264.78	2.89	-45.42
COCCNC1=NC(CC(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004626096	0	34	-1.0	-55.88	305.32	2.95	-52.93
COCCNC1=NC(CC(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004626096	1	34	-1.0	-55.98	305.18	2.98	-53.00
CC1=CC=C(Cl)C=C1OCC(=O)N(C)C1=N[N-]N=N1	REAL250004626097	0	30	-1.0	-48.40	275.59	7.09	-41.31
CC1=CC=C(Cl)C=C1OCC(=O)N(C)C1=NN=N[N-]1	REAL250004626097	1	30	-1.0	-48.52	275.45	7.11	-41.41
CC1=CC(C(F)(F)F)=NC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626098	0	27	-1.0	-48.01	256.66	4.98	-43.03
CC1=CC(C(F)(F)F)=NC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626098	1	27	-1.0	-48.06	256.52	4.98	-43.08
CN(C(=O)C1=C(C(F)F)C=CS1)C1=N[N-]N=N1	REAL250004626099	0	23	-1.0	-53.04	220.10	4.76	-48.28
CN(C(=O)C1=C(C(F)F)C=CS1)C1=NN=N[N-]1	REAL250004626099	1	23	-1.0	-53.17	219.96	4.78	-48.39
CCOC(=O)C(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004626100	0	34	-1.0	-51.10	279.00	5.68	-45.42
CCOC(=O)C(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004626100	1	34	-1.0	-51.17	278.87	5.70	-45.47
CN(C(=O)CC1CCC(C)(C)CO1)C1=N[N-]N=N1	REAL250004626101	0	36	-1.0	-50.21	280.76	5.95	-44.26
CN(C(=O)CC1CCC(C)(C)CO1)C1=NN=N[N-]1	REAL250004626101	1	36	-1.0	-50.33	280.62	5.98	-44.35
CN(C(=O)CN1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL250004626102	0	31	-1.0	-62.84	267.36	1.62	-61.22
CN(C(=O)CN1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL250004626102	1	31	-1.0	-62.93	267.23	1.64	-61.29
CC1=CC2=CC=CC=C2N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626103	0	31	-1.0	-51.03	270.68	5.93	-45.10
CC1=CC2=CC=CC=C2N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626103	1	31	-1.0	-51.00	270.82	5.92	-45.08
CC1=CC=C2NN=CC2=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626104	0	29	-1.0	-49.91	254.95	4.25	-45.66
CC1=CC=C2NN=CC2=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626104	1	29	-1.0	-49.90	255.09	4.24	-45.66
CN(C(=O)C1CCOC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL250004626105	0	31	-1.0	-48.32	263.91	5.63	-42.69
CN(C(=O)C1CCOC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL250004626105	1	31	-1.0	-48.39	263.81	5.66	-42.73
CN(C(=O)C1CCC(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004626106	0	35	-1.0	-40.40	285.56	2.92	-37.48
CN(C(=O)C1CCC(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004626106	1	35	-1.0	-40.50	285.44	2.96	-37.54
CN(C(=O)CN1N=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004626107	0	28	-1.0	-56.75	253.31	4.73	-52.02
CN(C(=O)CN1N=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004626107	1	28	-1.0	-56.69	253.44	4.71	-51.98
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626108	0	33	-1.0	-50.24	263.79	4.31	-45.93
CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626108	1	33	-1.0	-50.29	263.65	4.33	-45.96
CN(C(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=N[N-]N=N1	REAL250004626109	0	33	-1.0	-54.55	296.52	6.16	-48.39
CN(C(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NN=N[N-]1	REAL250004626109	1	33	-1.0	-54.61	296.38	6.19	-48.42
CCC(CC1=CC=CC(C)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626110	0	38	-1.0	-46.12	306.89	8.37	-37.75
CCC(CC1=CC=CC(C)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626110	1	38	-1.0	-46.17	306.76	8.39	-37.78
CN(C(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004626111	0	36	-1.0	-51.46	281.87	6.04	-45.42
CN(C(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004626111	1	36	-1.0	-51.38	282.01	6.04	-45.34
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626112	0	31	-1.0	-47.01	273.36	6.81	-40.20
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626112	1	31	-1.0	-46.96	273.51	6.81	-40.15
CO[C@]12CCC[C@@]1(C(=O)N(C)C1=N[N-]N=N1)CCO2	REAL250004626113	0	35	-1.0	-51.75	262.86	4.71	-47.04
CO[C@]12CCC[C@@]1(C(=O)N(C)C1=NN=N[N-]1)CCO2	REAL250004626113	1	35	-1.0	-51.86	262.73	4.72	-47.14
CN(C(=O)C1(C2CCCCO2)CCOCC1)C1=N[N-]N=N1	REAL250004626114	0	41	-1.0	-52.26	291.67	4.26	-48.00
CN(C(=O)C1(C2CCCCO2)CCOCC1)C1=NN=N[N-]1	REAL250004626114	1	41	-1.0	-52.34	291.53	4.26	-48.08
CC1=CC=C2OCC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004626115	0	32	-1.0	-47.67	269.01	6.16	-41.51
CC1=CC=C2OCC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004626115	1	32	-1.0	-47.63	269.13	6.15	-41.48
CN(C(=O)C1CNC(=O)CC1C(F)(F)F)C1=N[N-]N=N1	REAL250004626116	0	30	-1.0	-47.11	260.63	2.13	-44.98
CN(C(=O)C1CNC(=O)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004626116	1	30	-1.0	-47.20	260.49	2.15	-45.05
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL250004626117	0	35	-1.0	-50.86	297.54	5.69	-45.17
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL250004626117	1	35	-1.0	-50.93	297.40	5.69	-45.24
COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004626118	0	36	-1.0	-55.27	300.93	5.73	-49.54
COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004626118	1	36	-1.0	-55.33	300.80	5.76	-49.57
COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626119	0	36	-1.0	-52.28	302.25	4.76	-47.52
COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626119	1	36	-1.0	-52.41	302.12	4.78	-47.63
COC1=CC=C(OC)C(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626120	0	35	-1.0	-51.91	296.72	5.12	-46.79
COC1=CC=C(OC)C(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626120	1	35	-1.0	-51.92	296.57	5.12	-46.80
CN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626121	0	38	-1.0	-50.16	305.90	6.91	-43.25
CN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626121	1	38	-1.0	-50.25	305.77	6.94	-43.31
CN(C(=O)CC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004626122	0	25	-1.0	-52.18	240.07	4.85	-47.33
CN(C(=O)CC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004626122	1	25	-1.0	-52.26	239.93	4.87	-47.39
CN(C(=O)CC1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004626123	0	31	-1.0	-51.08	267.47	6.23	-44.85
CN(C(=O)CC1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004626123	1	31	-1.0	-51.01	267.61	6.20	-44.81
CN(C(=O)CC1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004626124	0	31	-1.0	-53.54	270.84	6.36	-47.18
CN(C(=O)CC1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004626124	1	31	-1.0	-53.46	270.97	6.33	-47.13
CN(C(=O)CC1=CSC(C2CCCC2)=N1)C1=N[N-]N=N1	REAL250004626125	0	35	-1.0	-49.66	300.34	6.19	-43.47
CN(C(=O)CC1=CSC(C2CCCC2)=N1)C1=NN=N[N-]1	REAL250004626125	1	35	-1.0	-49.75	300.20	6.23	-43.52
CN(C(=O)C1=NOC2=C1CC(C)(C)CC2)C1=N[N-]N=N1	REAL250004626126	0	35	-1.0	-47.01	278.54	6.52	-40.49
CN(C(=O)C1=NOC2=C1CC(C)(C)CC2)C1=NN=N[N-]1	REAL250004626126	1	35	-1.0	-47.10	278.40	6.54	-40.56
CN(C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004626127	0	26	-1.0	-38.81	249.67	6.10	-32.71
CN(C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004626127	1	26	-1.0	-38.89	249.53	6.13	-32.76
CN(C(=O)CC1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004626128	0	29	-1.0	-50.20	266.36	5.15	-45.05
CN(C(=O)CC1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004626128	1	29	-1.0	-50.27	266.22	5.18	-45.09
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL250004626129	0	37	-1.0	-52.73	303.78	8.88	-43.85
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL250004626129	1	37	-1.0	-52.66	303.91	8.86	-43.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004626130	0	26	-1.0	-49.53	252.97	5.05	-44.48
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004626130	1	26	-1.0	-49.63	252.82	5.07	-44.56
CN(C(=O)C1=COC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004626131	0	31	-1.0	-45.38	264.87	3.52	-41.86
CN(C(=O)C1=COC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004626131	1	31	-1.0	-45.32	265.02	3.50	-41.82
CN(C(=O)CCC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626132	0	36	-1.0	-49.86	293.56	8.51	-41.35
CN(C(=O)CCC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626132	1	36	-1.0	-49.97	293.43	8.54	-41.43
CN(C(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL250004626133	0	25	-1.0	-47.71	238.57	5.23	-42.48
CN(C(=O)C1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL250004626133	1	25	-1.0	-47.64	238.71	5.22	-42.42
CN(C(=O)CCC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL250004626134	0	36	-1.0	-46.98	288.50	5.23	-41.75
CN(C(=O)CCC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL250004626134	1	36	-1.0	-47.13	288.36	5.26	-41.87
CC1=NN(C2CCOCC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626135	0	37	-1.0	-48.35	298.16	4.12	-44.23
CC1=NN(C2CCOCC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626135	1	37	-1.0	-48.42	297.99	4.12	-44.30
CN(C(=O)CC(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL250004626136	0	31	-1.0	-48.76	251.38	5.66	-43.10
CN(C(=O)CC(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL250004626136	1	31	-1.0	-48.90	251.25	5.68	-43.22
COC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=C1	REAL250004626137	0	37	-1.0	-46.83	295.76	6.74	-40.09
COC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=C1	REAL250004626137	1	37	-1.0	-46.90	295.63	6.78	-40.12
CN(C(=O)C1=NC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004626138	0	25	-1.0	-49.75	236.19	5.61	-44.14
CN(C(=O)C1=NC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004626138	1	25	-1.0	-49.67	236.33	5.60	-44.07
CN(C(=O)CCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL250004626139	0	34	-1.0	-54.38	294.71	6.16	-48.22
CN(C(=O)CCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL250004626139	1	34	-1.0	-54.50	294.57	6.18	-48.32
CC(C(=O)N(C)C1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004626140	0	33	-1.0	-51.77	275.38	5.62	-46.15
CC(C(=O)N(C)C1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004626140	1	33	-1.0	-51.86	275.25	5.65	-46.21
CC1=NN2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2S1	REAL250004626141	0	25	-1.0	-50.24	240.36	4.57	-45.67
CC1=NN2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2S1	REAL250004626141	1	25	-1.0	-50.14	240.51	4.56	-45.58
CC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626142	0	32	-1.0	-61.96	274.62	4.05	-57.91
CC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626142	1	32	-1.0	-61.94	274.77	4.05	-57.89
CN(C(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=NN=N[N-]1	REAL250004626143	0	28	-1.0	-41.89	262.49	4.66	-37.23
CN(C(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=N[N-]N=N1	REAL250004626143	1	28	-1.0	-41.81	262.63	4.65	-37.16
CN(C(=O)C1=CC=CC=C1C1=NC=CN1)C1=N[N-]N=N1	REAL250004626144	0	30	-1.0	-62.25	258.70	6.11	-56.14
CN(C(=O)C1=CC=CC=C1C1=NC=CN1)C1=NN=N[N-]1	REAL250004626144	1	30	-1.0	-62.25	258.56	6.13	-56.12
CN(C(=O)CC1=CC=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL250004626145	0	32	-1.0	-51.71	279.09	5.98	-45.73
CN(C(=O)CC1=CC=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL250004626145	1	32	-1.0	-51.65	279.22	5.96	-45.69
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=CN=CC=C12	REAL250004626146	0	32	-1.0	-51.29	271.02	4.76	-46.53
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=CN=CC=C12	REAL250004626146	1	32	-1.0	-51.24	271.17	4.75	-46.49
CN(C(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=N[N-]N=N1	REAL250004626147	0	33	-1.0	-47.89	267.78	4.53	-43.36
CN(C(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=NN=N[N-]1	REAL250004626147	1	33	-1.0	-47.93	267.64	4.55	-43.38
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C(C)(C)C)O1	REAL250004626148	0	35	-1.0	-45.73	285.67	6.56	-39.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL250004626148	1	35	-1.0	-45.80	285.53	6.59	-39.21
CN(C(=O)C1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004626149	0	22	-1.0	-40.41	219.85	3.57	-36.84
CN(C(=O)C1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004626149	1	22	-1.0	-40.36	219.99	3.57	-36.79
CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004626150	0	28	-1.0	-43.64	257.09	5.02	-38.62
CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004626150	1	28	-1.0	-43.67	256.95	5.03	-38.64
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626151	0	30	-1.0	-46.11	268.79	6.54	-39.57
CC1=CC(C#N)=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626151	1	30	-1.0	-46.01	268.93	6.53	-39.48
CCC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626152	0	32	-1.0	-58.58	270.34	3.83	-54.75
CCC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626152	1	32	-1.0	-58.52	270.49	3.83	-54.69
COC1=CC=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004626153	0	30	-1.0	-56.21	257.59	5.06	-51.15
COC1=CC=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004626153	1	30	-1.0	-56.08	256.73	5.11	-50.97
CC1=CN2N=NC(C(=O)N(C)C3=NN=N[N-]3)=C2C(=O)N1	REAL250004626154	0	28	-1.0	-58.51	250.20	2.81	-55.70
CC1=CN2N=NC(C(=O)N(C)C3=N[N-]N=N3)=C2C(=O)N1	REAL250004626154	1	28	-1.0	-58.41	250.34	2.81	-55.60
CN(C(=O)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004626155	0	24	-1.0	-45.28	229.15	4.88	-40.40
CN(C(=O)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004626155	1	24	-1.0	-45.38	229.02	4.88	-40.50
CN(C(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004626156	0	34	-1.0	-47.18	290.65	7.79	-39.39
CN(C(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004626156	1	34	-1.0	-47.21	290.50	7.81	-39.40
CCOC(=O)N(C)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004626158	0	36	-1.0	-54.69	304.76	5.03	-49.66
CCOC(=O)N(C)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004626158	1	36	-1.0	-54.79	304.62	5.07	-49.72
CN(C(=O)CC1CCC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004626159	0	37	-1.0	-50.43	289.76	6.61	-43.82
CN(C(=O)CC1CCC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004626159	1	37	-1.0	-50.48	289.63	6.64	-43.84
CN(C(=O)CC1CCC2(CCOCC2)CO1)C1=N[N-]N=N1	REAL250004626160	0	41	-1.0	-51.11	306.90	5.18	-45.93
CN(C(=O)CC1CCC2(CCOCC2)CO1)C1=NN=N[N-]1	REAL250004626160	1	41	-1.0	-51.14	306.76	5.20	-45.94
CN(C(=O)C1CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004626161	0	31	-1.0	-48.24	243.85	5.84	-42.40
CN(C(=O)C1CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004626161	1	31	-1.0	-48.33	243.71	5.87	-42.46
CN(C(=O)C1=CSC=C1C(F)F)C1=N[N-]N=N1	REAL250004626162	0	23	-1.0	-55.87	219.54	4.85	-51.02
CN(C(=O)C1=CSC=C1C(F)F)C1=NN=N[N-]1	REAL250004626162	1	23	-1.0	-55.97	219.40	4.86	-51.11
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=N[N-]N=N1	REAL250004626163	0	30	-1.0	-45.52	267.03	7.35	-38.17
CN(C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NN=N[N-]1	REAL250004626163	1	30	-1.0	-45.61	266.89	7.37	-38.24
CN(C(=O)C1=CC=CC2=C1C(=O)N=CN2)C1=NN=N[N-]1	REAL250004626164	0	28	-1.0	-82.28	246.70	4.69	-77.59
CN(C(=O)C1=CC=CC2=C1C(=O)N=CN2)C1=N[N-]N=N1	REAL250004626164	1	28	-1.0	-82.18	246.83	4.69	-77.49
CN(C(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=NN=N[N-]1	REAL250004626166	0	29	-1.0	-54.25	261.06	4.92	-49.33
CN(C(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=N[N-]N=N1	REAL250004626166	1	29	-1.0	-54.23	261.18	4.93	-49.30
CN(C(=O)C=C[C@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004626167	0	32	-1.0	-48.05	272.55	3.96	-44.09
CN(C(=O)C=C[C@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004626167	1	32	-1.0	-48.14	272.41	3.99	-44.15
CN(C(=O)C1(CS(C)(=O)=O)COC1)C1=N[N-]N=N1	REAL250004626168	0	30	-1.0	-70.45	259.49	-0.74	-71.19
CN(C(=O)C1(CS(C)(=O)=O)COC1)C1=NN=N[N-]1	REAL250004626168	1	30	-1.0	-70.57	259.35	-0.73	-71.30
CN(C(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=N[N-]N=N1	REAL250004626169	0	34	-1.0	-57.82	286.43	6.71	-51.11
CN(C(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=NN=N[N-]1	REAL250004626169	1	34	-1.0	-57.87	286.29	6.74	-51.13
CN(C(=O)CCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626170	0	35	-1.0	-47.72	294.26	8.34	-39.38
CN(C(=O)CCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626170	1	35	-1.0	-47.81	294.12	8.37	-39.44
CN(C(=O)CC1=CN=C2NC=CC(Cl)=C12)C1=N[N-]N=N1	REAL250004626171	0	29	-1.0	-60.84	268.92	5.65	-55.19
CN(C(=O)CC1=CN=C2NC=CC(Cl)=C12)C1=NN=N[N-]1	REAL250004626171	1	29	-1.0	-60.93	268.79	5.68	-55.25
COC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004626172	0	25	-1.0	-49.09	246.66	3.71	-45.38
COC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004626172	1	25	-1.0	-49.01	246.80	3.68	-45.33
CCNC1=CC=C(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626173	0	34	-1.0	-47.03	279.68	5.46	-41.57
CCNC1=CC=C(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626173	1	34	-1.0	-46.96	279.82	5.43	-41.53
CN(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004626174	0	31	-1.0	-45.58	263.47	3.03	-42.55
CN(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004626174	1	31	-1.0	-45.67	263.32	3.06	-42.61
CN(C(=O)C1=CC=C(CN2CCCC2)O1)C1=N[N-]N=N1	REAL250004626176	0	35	-1.0	-44.80	288.92	4.14	-40.66
CN(C(=O)C1=CC=C(CN2CCCC2)O1)C1=NN=N[N-]1	REAL250004626176	1	35	-1.0	-44.88	288.77	4.16	-40.72
CC(=O)NC1=CN=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626177	0	29	-1.0	-44.42	255.77	2.32	-42.10
CC(=O)NC1=CN=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626177	1	29	-1.0	-43.90	251.36	2.34	-41.56
CN(C(=O)CC1=NC(C2CCCC2)=CS1)C1=N[N-]N=N1	REAL250004626181	0	35	-1.0	-49.93	298.93	6.20	-43.73
CN(C(=O)CC1=NC(C2CCCC2)=CS1)C1=NN=N[N-]1	REAL250004626181	1	35	-1.0	-50.02	298.79	6.23	-43.79
CN(C(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=NN=N[N-]1	REAL250004626182	0	32	-1.0	-44.85	274.94	4.53	-40.32
CN(C(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=N[N-]N=N1	REAL250004626182	1	32	-1.0	-44.79	275.07	4.51	-40.28
CN(C(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=NN=N[N-]1	REAL250004626183	0	32	-1.0	-44.56	275.15	4.55	-40.01
CN(C(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=N[N-]N=N1	REAL250004626183	1	32	-1.0	-44.49	275.29	4.54	-39.95
CCN1N=C(C2CC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626184	0	33	-1.0	-43.72	273.08	5.66	-38.06
CCN1N=C(C2CC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626184	1	33	-1.0	-43.59	273.22	5.66	-37.93
CC1=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2N=C1	REAL250004626185	0	28	-1.0	-58.57	245.54	4.47	-54.10
CC1=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2N=C1	REAL250004626185	1	28	-1.0	-58.48	245.69	4.47	-54.01
CN(C(=O)CC1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004626186	0	34	-1.0	-53.49	274.02	5.98	-47.51
CN(C(=O)CC1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004626186	1	34	-1.0	-53.56	273.88	6.01	-47.55
CN(C(=O)C1CCOC2(CCC2)C1)C1=N[N-]N=N1	REAL250004626187	0	34	-1.0	-31.42	261.02	4.93	-26.49
CN(C(=O)C1CCOC2(CCC2)C1)C1=NN=N[N-]1	REAL250004626187	1	34	-1.0	-31.49	260.94	4.96	-26.53
CN(C(=O)CC1=NN=C(C2CCOCC2)N1)C1=N[N-]N=N1	REAL250004626188	0	36	-1.0	-58.59	298.21	3.93	-54.66
CN(C(=O)CC1=NN=C(C2CCOCC2)N1)C1=NN=N[N-]1	REAL250004626188	1	36	-1.0	-58.64	298.07	3.95	-54.69
CN(C(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=NN=N[N-]1	REAL250004626189	0	35	-1.0	-52.68	298.69	7.38	-45.30
CN(C(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=N[N-]N=N1	REAL250004626189	1	35	-1.0	-52.57	298.83	7.37	-45.20
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004626190	0	31	-1.0	-61.11	270.34	7.10	-54.01
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004626190	1	31	-1.0	-61.05	270.48	7.09	-53.96
CN(C(=O)C1=CN(C)N=C1Br)C1=NN=N[N-]1	REAL250004626191	0	23	-1.0	-51.17	226.75	3.16	-48.01
CN(C(=O)C1=CN(C)N=C1Br)C1=N[N-]N=N1	REAL250004626191	1	23	-1.0	-51.10	226.91	3.15	-47.95
CN(C(=O)C1CC2(C1)CC(F)(F)C2)C1=N[N-]N=N1	REAL250004626192	0	30	-1.0	-47.24	257.27	6.25	-40.99
CN(C(=O)C1CC2(C1)CC(F)(F)C2)C1=NN=N[N-]1	REAL250004626192	1	30	-1.0	-47.29	257.14	6.27	-41.02
C[C@H](C(=O)N(C)C1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL250004626193	0	34	-1.0	-41.44	282.19	7.29	-34.15
C[C@H](C(=O)N(C)C1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL250004626193	1	34	-1.0	-41.48	282.02	7.30	-34.18
CN(C(=O)C1=COC2=C1C(=O)NCCC2)C1=NN=N[N-]1	REAL250004626194	0	31	-1.0	-63.26	258.91	2.64	-60.62
CN(C(=O)C1=COC2=C1C(=O)NCCC2)C1=N[N-]N=N1	REAL250004626194	1	31	-1.0	-63.13	259.06	2.63	-60.50
CC1=NC(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2N1	REAL250004626195	0	31	-1.0	-52.58	269.52	3.13	-49.45
CC1=NC(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2N1	REAL250004626195	1	31	-1.0	-52.49	269.66	3.14	-49.35
CN(C(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NN=N[N-]1	REAL250004626196	0	25	-1.0	-44.12	250.08	4.94	-39.18
CN(C(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=N[N-]N=N1	REAL250004626196	1	25	-1.0	-44.06	250.23	4.93	-39.13
CN(C(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004626197	0	28	-1.0	-50.80	253.73	5.92	-44.88
CN(C(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004626197	1	28	-1.0	-50.73	253.87	5.90	-44.83
CN(C(=O)C1=CC(Cl)=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004626198	0	27	-1.0	-42.62	256.10	4.24	-38.38
CN(C(=O)C1=CC(Cl)=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004626198	1	27	-1.0	-42.55	256.24	4.24	-38.31
CNC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004626199	0	28	-1.0	-50.63	253.97	4.24	-46.39
CNC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004626199	1	28	-1.0	-50.55	254.11	4.23	-46.32
CN(C(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=N[N-]N=N1	REAL250004626200	0	29	-1.0	-50.98	270.48	6.45	-44.53
CN(C(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=NN=N[N-]1	REAL250004626200	1	29	-1.0	-51.05	270.34	6.49	-44.56
CCSC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004626201	0	33	-1.0	-49.27	288.80	7.72	-41.55
CCSC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004626201	1	33	-1.0	-49.34	288.66	7.76	-41.58
CC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626202	0	28	-1.0	-49.46	255.33	4.43	-45.03
CC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626202	1	28	-1.0	-49.53	255.19	4.47	-45.06
CN(C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626203	0	40	-1.0	-57.78	322.54	4.12	-53.66
CN(C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626203	1	40	-1.0	-57.90	322.41	4.14	-53.76
COC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004626204	0	32	-1.0	-47.53	278.17	3.50	-44.03
COC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004626204	1	32	-1.0	-47.43	278.31	3.47	-43.96
CN(C(=O)CC1CCC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL250004626205	0	32	-1.0	-60.81	280.23	7.82	-52.99
CN(C(=O)CC1CCC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL250004626205	1	32	-1.0	-60.88	280.09	7.84	-53.04
CCN1C=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626206	0	27	-1.0	-45.05	244.14	5.84	-39.21
CCN1C=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626206	1	27	-1.0	-44.99	244.28	5.83	-39.16
CC1C2=CNN=C2CCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004626207	0	33	-1.0	-35.96	261.63	4.50	-31.46
CC1C2=CNN=C2CCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004626207	1	33	-1.0	-36.04	261.44	4.52	-31.52
COC1(C(=O)N(C)C2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004626208	0	30	-1.0	-53.00	248.86	-0.15	-53.15
COC1(C(=O)N(C)C2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004626208	1	30	-1.0	-53.03	248.73	-0.13	-53.16
CN(C(=O)C1=CC=CN=C1C(F)F)C1=NN=N[N-]1	REAL250004626209	0	25	-1.0	-49.42	228.59	4.05	-45.37
CN(C(=O)C1=CC=CN=C1C(F)F)C1=N[N-]N=N1	REAL250004626209	1	25	-1.0	-49.28	228.73	4.04	-45.24
CN(C(=O)CONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626210	0	34	-1.0	-56.84	288.79	3.44	-53.40
CN(C(=O)CONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626210	1	34	-1.0	-56.89	288.65	3.47	-53.42
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626211	0	32	-1.0	-57.60	263.98	5.94	-51.66
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626211	1	32	-1.0	-57.65	263.83	5.94	-51.71
CN(C(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL250004626212	0	40	-1.0	-31.52	274.14	7.17	-24.35
CN(C(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL250004626212	1	40	-1.0	-31.57	274.01	7.20	-24.37
COC1=CC=CC(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626213	0	30	-1.0	-54.55	264.78	5.55	-49.00
COC1=CC=CC(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626213	1	30	-1.0	-54.48	264.89	5.53	-48.95
CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626214	0	40	-1.0	-58.39	316.34	5.47	-52.92
CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626214	1	40	-1.0	-58.49	316.21	5.51	-52.98
CCN1C=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004626215	0	36	-1.0	-53.37	303.81	7.04	-46.33
CCN1C=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004626215	1	36	-1.0	-53.28	303.94	7.02	-46.26
CN(C(=O)C1(C#N)CC2CCC1CC2)C1=N[N-]N=N1	REAL250004626216	0	34	-1.0	-43.32	257.84	5.84	-37.48
CN(C(=O)C1(C#N)CC2CCC1CC2)C1=NN=N[N-]1	REAL250004626216	1	34	-1.0	-43.40	257.71	5.85	-37.55
COC1=CC=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=NN21	REAL250004626217	0	30	-1.0	-54.72	256.72	3.42	-51.30
COC1=CC=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=NN21	REAL250004626217	1	30	-1.0	-54.58	256.87	3.43	-51.15
COC(=O)C1=CC(C)=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004626218	0	29	-1.0	-42.16	261.33	4.90	-37.26
COC(=O)C1=CC(C)=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004626218	1	29	-1.0	-42.26	261.19	4.93	-37.33
CC1=CC=C(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)C2)C=C1	REAL250004626219	0	34	-1.0	-53.29	292.95	7.19	-46.10
CC1=CC=C(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)C2)C=C1	REAL250004626219	1	34	-1.0	-53.32	292.81	7.21	-46.11
CC1CCC2=C(C1)C(C(=O)N(C)C1=NN=N[N-]1)=NN2	REAL250004626220	0	33	-1.0	-50.59	267.54	5.01	-45.58
CC1CCC2=C(C1)C(C(=O)N(C)C1=N[N-]N=N1)=NN2	REAL250004626220	1	33	-1.0	-50.53	267.68	5.01	-45.52
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626221	0	37	-1.0	-56.68	290.33	7.02	-49.66
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626221	1	37	-1.0	-56.78	290.19	7.03	-49.75
CCC1=NC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=N1	REAL250004626222	0	36	-1.0	-50.89	297.82	5.55	-45.34
CCC1=NC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=N1	REAL250004626222	1	36	-1.0	-50.90	297.69	5.58	-45.32
CN(C(=O)C1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626223	0	25	-1.0	-47.82	232.86	5.66	-42.16
CN(C(=O)C1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626223	1	25	-1.0	-47.79	233.00	5.63	-42.16
CN(C(=O)C1CCCN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL250004626224	0	39	-1.0	-58.75	295.46	6.04	-52.71
CN(C(=O)C1CCCN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL250004626224	1	39	-1.0	-58.79	295.33	6.07	-52.72
CN(C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626225	0	33	-1.0	-49.42	278.20	8.11	-41.31
CN(C(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626225	1	33	-1.0	-49.51	278.07	8.13	-41.38
CN(C(=O)CCCC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004626226	0	39	-1.0	-49.58	321.99	9.66	-39.92
CN(C(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004626226	1	39	-1.0	-49.67	321.85	9.70	-39.97
CN(C(=O)C1=CC2=C(CCOC2)NC1=O)C1=NN=N[N-]1	REAL250004626227	0	31	-1.0	-57.83	264.03	1.98	-55.85
CN(C(=O)C1=CC2=C(CCOC2)NC1=O)C1=N[N-]N=N1	REAL250004626227	1	31	-1.0	-57.78	264.18	1.97	-55.81
COC1=CC(OC)=NC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626228	0	29	-1.0	-44.70	257.58	0.75	-43.95
COC1=CC(OC)=NC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626228	1	29	-1.0	-44.65	257.71	0.73	-43.92
CN(C(=O)C1(C)CCCS1(=O)=O)C1=N[N-]N=N1	REAL250004626229	0	29	-1.0	-37.47	233.64	2.57	-34.90
CN(C(=O)C1(C)CCCS1(=O)=O)C1=NN=N[N-]1	REAL250004626229	1	29	-1.0	-37.50	233.49	2.59	-34.91
CN(C(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004626230	0	32	-1.0	-45.81	284.43	7.49	-38.32
CN(C(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004626230	1	32	-1.0	-45.88	284.29	7.50	-38.38
COC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004626231	0	32	-1.0	-49.70	273.67	4.61	-45.09
COC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004626231	1	32	-1.0	-49.63	273.81	4.62	-45.01
CN(C(=O)C1=NN2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626232	0	29	-1.0	-54.09	252.61	4.10	-49.99
CN(C(=O)C1=NN2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626232	1	29	-1.0	-54.01	252.76	4.08	-49.93
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL250004626233	0	31	-1.0	-49.83	261.49	6.09	-43.74
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL250004626233	1	31	-1.0	-49.74	261.62	6.08	-43.66
CN(C(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL250004626234	0	30	-1.0	-53.08	266.45	4.75	-48.33
CN(C(=O)C1CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL250004626234	1	30	-1.0	-53.05	266.58	4.73	-48.32
CCN1N=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1CC1	REAL250004626235	0	33	-1.0	-50.54	279.93	6.26	-44.28
CCN1N=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1CC1	REAL250004626235	1	33	-1.0	-50.46	280.08	6.24	-44.22
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626236	0	35	-1.0	-39.00	269.70	6.39	-32.61
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626236	1	35	-1.0	-39.03	269.51	6.40	-32.63
COC1=CC=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626237	0	30	-1.0	-43.94	266.39	5.22	-38.72
COC1=CC=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626237	1	30	-1.0	-44.00	266.25	5.26	-38.74
CC1=CC(C#N)=CC(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004626238	0	33	-1.0	-48.05	284.71	7.37	-40.68
CC1=CC(C#N)=CC(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004626238	1	33	-1.0	-48.17	284.57	7.41	-40.76
CN(C(=O)C1=C(S(N)(=O)=O)SC=C1)C1=N[N-]N=N1	REAL250004626239	0	25	-1.0	-62.02	239.64	0.10	-61.92
CN(C(=O)C1=C(S(N)(=O)=O)SC=C1)C1=NN=N[N-]1	REAL250004626239	1	25	-1.0	-62.07	239.50	0.11	-61.96
CC1=NNC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C12	REAL250004626240	0	29	-1.0	-52.90	253.23	4.27	-48.63
CC1=NNC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C12	REAL250004626240	1	29	-1.0	-52.85	253.36	4.24	-48.61
CN(C(=O)C1CC2=CC(F)=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004626241	0	31	-1.0	-45.90	268.72	4.21	-41.69
CN(C(=O)C1CC2=CC(F)=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004626241	1	31	-1.0	-45.96	268.58	4.22	-41.74
CN(C(=O)C1CCOC2(CCCC2)C1)C1=N[N-]N=N1	REAL250004626242	0	37	-1.0	-47.24	275.94	5.26	-41.98
CN(C(=O)C1CCOC2(CCCC2)C1)C1=NN=N[N-]1	REAL250004626242	1	37	-1.0	-47.36	275.80	5.29	-42.07
CN(CC(=O)N(C)C1=N[N-]N=N1)[C@@H]1CCC[C@H]1O	REAL250004626243	1	35	-1.0	-46.66	273.83	0.88	-45.78
CN(CC(=O)N(C)C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004626243	1	35	-1.0	-46.68	273.70	0.90	-45.78
CN(C(=O)CN1N=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626244	0	28	-1.0	-55.50	253.06	4.02	-51.48
CN(C(=O)CN1N=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626244	1	28	-1.0	-55.41	253.19	3.99	-51.42
CC1=CC=CC(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004626245	0	36	-1.0	-51.17	297.71	8.97	-42.20
CC1=CC=CC(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004626245	1	36	-1.0	-51.14	297.85	8.98	-42.16
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004626246	0	30	-1.0	-44.79	262.08	6.31	-38.48
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004626246	1	30	-1.0	-44.69	262.22	6.31	-38.38
CCCCCC(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004626247	0	35	-1.0	-43.79	293.32	3.77	-40.02
CCCCCC(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004626247	1	35	-1.0	-43.81	293.18	3.79	-40.02
CCNC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626248	0	30	-1.0	-46.51	263.30	3.47	-43.04
CCNC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626248	1	30	-1.0	-46.40	263.45	3.46	-42.94
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(NC2CC2)=N1	REAL250004626249	0	31	-1.0	-46.09	273.51	4.39	-41.70
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(NC2CC2)=N1	REAL250004626249	1	31	-1.0	-46.18	273.36	4.39	-41.79
C=CCNC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626250	0	28	-1.0	-46.82	259.12	3.40	-43.42
C=CCNC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626250	1	28	-1.0	-46.75	259.27	3.40	-43.35
COC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC=C1	REAL250004626251	0	31	-1.0	-49.05	263.71	4.83	-44.22
COC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC=C1	REAL250004626251	1	31	-1.0	-48.98	263.86	4.79	-44.19
CC1=CC=CC=C1C1=NOC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626252	0	34	-1.0	-53.07	286.33	7.35	-45.72
CC1=CC=CC=C1C1=NOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626252	1	34	-1.0	-53.12	286.20	7.37	-45.75
CC1=CC(C)=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626253	0	32	-1.0	-58.61	272.15	4.00	-54.61
CC1=CC(C)=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626253	1	32	-1.0	-58.70	272.02	4.03	-54.67
CNC(=O)NC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626254	0	32	-1.0	-63.20	272.04	2.44	-60.76
CNC(=O)NC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626254	1	32	-1.0	-63.13	272.19	2.44	-60.69
CN(C(=O)C(C)(C)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626255	0	34	-1.0	-50.34	264.63	5.21	-45.13
CN(C(=O)C(C)(C)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626255	1	34	-1.0	-50.38	264.50	5.23	-45.15
CN(C(=O)C1=CN(C)N=C1C1CCCC1)C1=NN=N[N-]1	REAL250004626256	0	36	-1.0	-50.98	291.32	5.88	-45.10
CN(C(=O)C1=CN(C)N=C1C1CCCC1)C1=N[N-]N=N1	REAL250004626256	1	36	-1.0	-50.92	291.47	5.86	-45.06
CCOC(=O)N1CSCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004626257	0	32	-1.0	-53.14	279.27	4.65	-48.49
CCOC(=O)N1CSCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004626257	1	32	-1.0	-53.20	279.13	4.68	-48.52
CC1CCC(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004626258	0	40	-1.0	-44.29	310.44	7.52	-36.77
CC1CCC(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004626258	1	40	-1.0	-44.35	310.31	7.54	-36.81
CC(SC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626259	0	30	-1.0	-46.35	270.62	6.89	-39.46
CC(SC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626259	1	30	-1.0	-46.42	270.49	6.92	-39.50
CN(C(=O)C1=C(C(F)F)SC=C1)C1=N[N-]N=N1	REAL250004626260	0	23	-1.0	-48.42	223.45	4.86	-43.56
CN(C(=O)C1=C(C(F)F)SC=C1)C1=NN=N[N-]1	REAL250004626260	1	23	-1.0	-48.56	223.31	4.87	-43.69
CN(C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626261	0	36	-1.0	-47.69	303.48	9.00	-38.69
CN(C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626261	1	36	-1.0	-47.76	303.34	9.03	-38.73
CN(C(=O)C1=CC=C(CN2C=CN=N2)O1)C1=NN=N[N-]1	REAL250004626262	0	29	-1.0	-53.43	264.60	4.03	-49.40
CN(C(=O)C1=CC=C(CN2C=CN=N2)O1)C1=N[N-]N=N1	REAL250004626262	1	29	-1.0	-53.38	264.75	4.00	-49.38
CN(C(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004626263	0	29	-1.0	-51.30	257.47	5.45	-45.85
CN(C(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004626263	1	29	-1.0	-51.22	257.61	5.42	-45.80
CC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004626264	0	29	-1.0	-47.75	265.33	7.06	-40.69
CC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004626264	1	29	-1.0	-47.90	265.19	7.10	-40.80
CN(C(=O)CN1CCC(CO)CC1)C1=N[N-]N=N1	REAL250004626266	0	35	-1.0	-50.48	276.92	0.64	-49.84
CN(C(=O)CN1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004626266	1	35	-1.0	-50.57	276.78	0.66	-49.91
CN(C(=O)CC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004626267	0	28	-1.0	-51.54	270.54	7.02	-44.52
CN(C(=O)CC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004626267	1	28	-1.0	-51.61	270.40	7.05	-44.56
CN(C(=O)C1=CS(=O)(=O)CCC1)C1=N[N-]N=N1	REAL250004626268	0	27	-1.0	-61.71	234.23	1.07	-60.64
CN(C(=O)C1=CS(=O)(=O)CCC1)C1=NN=N[N-]1	REAL250004626268	1	27	-1.0	-61.76	234.09	1.10	-60.66
CC1CN2CCN1CC2C(=O)N(C)C1=NN=N[N-]1	REAL250004626269	1	34	-1.0	-46.82	251.94	-0.06	-46.88
CC1CN2CCN1CC2C(=O)N(C)C1=N[N-]N=N1	REAL250004626269	1	34	-1.0	-46.76	252.08	-0.06	-46.82
CN(C(=O)C1=NN2CCCC(O)C2=C1)C1=N[N-]N=N1	REAL250004626270	0	31	-1.0	-50.76	260.16	1.69	-49.07
CN(C(=O)C1=NN2CCCC(O)C2=C1)C1=NN=N[N-]1	REAL250004626270	1	31	-1.0	-50.82	260.02	1.70	-49.12
CN(C(=O)C1=C2N=CNC2=CC=C1F)C1=NN=N[N-]1	REAL250004626271	0	26	-1.0	-62.42	241.42	4.84	-57.58
CN(C(=O)C1=C2N=CNC2=CC=C1F)C1=N[N-]N=N1	REAL250004626271	1	26	-1.0	-62.36	241.56	4.82	-57.54
CC1=NN(CCCC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004626272	0	35	-1.0	-54.80	295.44	5.80	-49.00
CC1=NN(CCCC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004626272	1	35	-1.0	-54.83	295.30	5.84	-48.99
CN(C(=O)C1=NC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004626273	0	27	-1.0	-59.67	238.50	5.02	-54.65
CN(C(=O)C1=NC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004626273	1	27	-1.0	-59.62	238.63	5.01	-54.61
CN(C(=O)CC1(C)CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL250004626274	0	31	-1.0	-60.96	261.21	0.16	-60.80
CN(C(=O)CC1(C)CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL250004626274	1	31	-1.0	-61.07	261.07	0.19	-60.88
CN(C(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004626275	0	28	-1.0	-45.59	259.59	5.84	-39.75
CN(C(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004626275	1	28	-1.0	-45.50	259.72	5.82	-39.68
CN(C(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626276	0	32	-1.0	-50.53	271.37	2.17	-48.36
CN(C(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626276	1	32	-1.0	-50.45	271.51	2.16	-48.29
CN(C(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL250004626277	0	31	-1.0	-58.29	273.53	5.65	-52.64
CN(C(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL250004626277	1	31	-1.0	-58.40	273.40	5.68	-52.72
CC1=CC=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004626278	0	30	-1.0	-50.38	254.50	7.26	-43.12
CC1=CC=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004626278	1	30	-1.0	-50.29	254.65	7.23	-43.06
COC1=CC=CC(CC(C)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626279	0	39	-1.0	-51.16	314.92	7.26	-43.90
COC1=CC=CC(CC(C)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626279	1	39	-1.0	-51.20	314.78	7.27	-43.93
CC(C)C1CC(C(=O)N(C)C2=N[N-]N=N2)CCO1	REAL250004626280	0	36	-1.0	-31.15	267.94	5.27	-25.88
CC(C)C1CC(C(=O)N(C)C2=NN=N[N-]2)CCO1	REAL250004626280	1	36	-1.0	-31.26	267.80	5.29	-25.97
CN(C(=O)C1=CC=CC2=C1CCOC2)C1=NN=N[N-]1	REAL250004626281	0	31	-1.0	-49.25	254.56	5.00	-44.25
CN(C(=O)C1=CC=CC2=C1CCOC2)C1=N[N-]N=N1	REAL250004626281	1	31	-1.0	-49.18	254.70	5.00	-44.18
CN(C(=O)CC1CCCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004626282	0	33	-1.0	-53.46	276.21	5.72	-47.74
CN(C(=O)CC1CCCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004626282	1	33	-1.0	-53.53	276.07	5.75	-47.78
COC1(C(=O)N(C)C2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004626283	0	27	-1.0	-52.30	238.29	0.15	-52.15
COC1(C(=O)N(C)C2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004626283	1	27	-1.0	-52.39	238.16	0.17	-52.22
CN(C(=O)CC1CCC(C2CC2)O1)C1=N[N-]N=N1	REAL250004626284	0	34	-1.0	-53.17	278.71	6.26	-46.91
CN(C(=O)CC1CCC(C2CC2)O1)C1=NN=N[N-]1	REAL250004626284	1	34	-1.0	-53.27	278.58	6.29	-46.98
CN(C(=O)C1CS(=O)(=O)CC(=O)N1)C1=N[N-]N=N1	REAL250004626285	0	27	-1.0	-51.93	244.60	-2.21	-54.14
CN(C(=O)C1CS(=O)(=O)CC(=O)N1)C1=NN=N[N-]1	REAL250004626285	1	27	-1.0	-52.02	244.46	-2.20	-54.22
CN(C(=O)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004626286	0	21	-1.0	-46.65	216.26	3.99	-42.66
CN(C(=O)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004626286	1	21	-1.0	-46.58	216.39	3.97	-42.61
COC(=O)C1=CC=CN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004626287	0	32	-1.0	-61.24	286.97	6.04	-55.20
COC(=O)C1=CC=CN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004626287	1	32	-1.0	-61.32	286.83	6.06	-55.26
CN(C(=O)C1=CC=C2NC=C(C=O)C2=C1)C1=NN=N[N-]1	REAL250004626288	0	29	-1.0	-53.49	256.70	4.70	-48.79
CN(C(=O)C1=CC=C2NC=C(C=O)C2=C1)C1=N[N-]N=N1	REAL250004626288	1	29	-1.0	-53.36	256.85	4.70	-48.66
COC(=O)C1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626289	0	29	-1.0	-47.65	264.22	5.64	-42.01
COC(=O)C1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626289	1	29	-1.0	-47.57	264.35	5.64	-41.93
CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1=N[N-]N=N1	REAL250004626291	0	30	-1.0	-53.39	262.86	1.94	-51.45
CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1=NN=N[N-]1	REAL250004626291	1	30	-1.0	-53.44	262.72	1.96	-51.48
CN(C(=O)C1=CN(C(F)(F)CO)N=N1)C1=NN=N[N-]1	REAL250004626292	0	26	-1.0	-46.11	246.73	-0.37	-46.48
CN(C(=O)C1=CN(C(F)(F)CO)N=N1)C1=N[N-]N=N1	REAL250004626292	1	26	-1.0	-46.01	246.87	-0.40	-46.41
COC1=NSC(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626293	0	27	-1.0	-51.08	258.48	0.48	-50.60
COC1=NSC(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626293	1	27	-1.0	-51.02	258.62	0.47	-50.55
CN(C(=O)C1(CCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL250004626294	0	36	-1.0	-49.70	300.72	8.51	-41.19
CN(C(=O)C1(CCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL250004626294	1	36	-1.0	-49.75	300.58	8.54	-41.21
CN(C(=O)C1(C)CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626295	0	34	-1.0	-47.25	265.62	5.49	-41.76
CN(C(=O)C1(C)CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626295	1	34	-1.0	-47.25	265.75	5.49	-41.76
CN(C(=O)C1(C2=CC=CC=C2)CCCO1)C1=NN=N[N-]1	REAL250004626296	0	34	-1.0	-47.03	273.08	6.30	-40.73
CN(C(=O)C1(C2=CC=CC=C2)CCCO1)C1=N[N-]N=N1	REAL250004626296	1	34	-1.0	-47.01	273.21	6.27	-40.74
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2NC1=O	REAL250004626298	0	32	-1.0	-47.86	275.26	4.61	-43.25
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2NC1=O	REAL250004626298	1	32	-1.0	-47.79	275.40	4.60	-43.19
CN(C(=O)CC1CCC(C)(O)CC1)C1=N[N-]N=N1	REAL250004626299	0	36	-1.0	-47.07	279.21	3.66	-43.41
CN(C(=O)CC1CCC(C)(O)CC1)C1=NN=N[N-]1	REAL250004626299	1	36	-1.0	-47.18	279.07	3.68	-43.50
CN(C(=O)C1=C(Cl)C=CN=C1F)C1=NN=N[N-]1	REAL250004626300	0	22	-1.0	-49.53	226.15	3.72	-45.81
CN(C(=O)C1=C(Cl)C=CN=C1F)C1=N[N-]N=N1	REAL250004626300	1	22	-1.0	-49.49	226.29	3.70	-45.79
CC1=CC(C=O)=C(O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626301	1	29	-1.0	-56.89	257.28	4.39	-52.50
CC1=CC(C=O)=C(O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626301	1	29	-1.0	-56.82	257.41	4.37	-52.45
COC(=O)C1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004626302	0	26	-1.0	-58.73	247.32	5.46	-53.27
COC(=O)C1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004626302	1	26	-1.0	-58.64	247.45	5.46	-53.18
CN(C(=O)CC1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL250004626303	0	27	-1.0	-52.66	254.14	4.28	-48.38
CN(C(=O)CC1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL250004626303	1	27	-1.0	-52.72	254.00	4.32	-48.40
COC12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)C(=O)C2	REAL250004626304	0	36	-1.0	-37.14	266.95	3.59	-33.55
COC12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)C(=O)C2	REAL250004626304	1	36	-1.0	-37.17	266.82	3.62	-33.55
CN(C(=O)C(C)(O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004626305	0	30	-1.0	-44.23	252.84	3.61	-40.62
CN(C(=O)C(C)(O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004626305	1	30	-1.0	-44.39	252.71	3.65	-40.74
CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626306	0	29	-1.0	-47.73	266.23	0.56	-47.17
CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626306	1	29	-1.0	-47.66	266.37	0.54	-47.12
COC1=CC=C2NC=CC2=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626307	0	31	-1.0	-59.40	269.43	4.46	-54.94
COC1=CC=C2NC=CC2=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626307	1	31	-1.0	-59.34	269.57	4.45	-54.89
CN(C(=O)CC1C=CS(=O)(=O)C1)C1=N[N-]N=N1	REAL250004626308	0	27	-1.0	-53.61	243.54	1.39	-52.22
CN(C(=O)CC1C=CS(=O)(=O)C1)C1=NN=N[N-]1	REAL250004626308	1	27	-1.0	-53.74	243.41	1.41	-52.33
CN(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C=O	REAL250004626309	0	33	-1.0	-46.93	277.54	5.28	-41.65
CN(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C=O	REAL250004626309	1	33	-1.0	-46.82	277.68	5.27	-41.55
CN(C(=O)C1=CN2C=CNC(=O)C2=N1)C1=NN=N[N-]1	REAL250004626311	0	26	-1.0	-57.99	237.96	3.40	-54.59
CN(C(=O)C1=CN2C=CNC(=O)C2=N1)C1=N[N-]N=N1	REAL250004626311	1	26	-1.0	-57.92	238.11	3.36	-54.56
CN(C(=O)C1(C2=CC=NC=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004626313	0	39	-1.0	-50.14	305.01	7.19	-42.95
CN(C(=O)C1(C2=CC=NC=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004626313	1	39	-1.0	-50.03	305.15	7.16	-42.87
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004626314	0	30	-1.0	-49.18	272.84	4.42	-44.76
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004626314	1	30	-1.0	-49.29	272.69	4.44	-44.85
CN(C(=O)CC1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626315	0	34	-1.0	-51.11	283.63	4.96	-46.15
CN(C(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626315	1	34	-1.0	-51.22	283.49	4.98	-46.24
COC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004626316	0	31	-1.0	-53.47	275.26	3.24	-50.23
COC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004626316	1	31	-1.0	-53.38	275.40	3.25	-50.13
COC(=O)C1CCCN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004626317	0	36	-1.0	-53.59	302.73	5.50	-48.09
COC(=O)C1CCCN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004626317	1	36	-1.0	-53.63	302.59	5.53	-48.10
CC1=C(Br)OC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626318	0	23	-1.0	-41.88	229.10	4.77	-37.11
CC1=C(Br)OC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626318	1	23	-1.0	-41.89	228.95	4.78	-37.11
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CN=C1F	REAL250004626319	0	26	-1.0	-48.25	238.50	2.95	-45.30
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CN=C1F	REAL250004626319	1	26	-1.0	-48.16	238.63	2.96	-45.20
COC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004626320	0	34	-1.0	-49.60	289.39	3.84	-45.76
COC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004626320	1	34	-1.0	-48.61	291.20	3.86	-44.75
CC1=CC(Cl)=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626321	0	25	-1.0	-45.95	237.64	5.29	-40.66
CC1=CC(Cl)=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626321	1	25	-1.0	-45.81	237.78	5.28	-40.53
CNC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626322	0	32	-1.0	-55.73	272.53	2.45	-53.28
CNC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626322	1	32	-1.0	-55.61	272.67	2.45	-53.16
CC1=NN(CC(F)F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626323	0	29	-1.0	-51.43	256.54	4.45	-46.98
CC1=NN(CC(F)F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626323	1	29	-1.0	-51.52	256.40	4.47	-47.05
CC(C)CN1C=CC=C(C(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004626324	0	35	-1.0	-67.49	293.99	6.06	-61.43
CC(C)CN1C=CC=C(C(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004626324	1	35	-1.0	-67.49	294.12	6.05	-61.44
CN(C(=O)C1=CC=CC=C1C1(C)CC1)C1=NN=N[N-]1	REAL250004626325	0	33	-1.0	-48.81	272.25	7.49	-41.32
CN(C(=O)C1=CC=CC=C1C1(C)CC1)C1=N[N-]N=N1	REAL250004626325	1	33	-1.0	-48.75	272.39	7.49	-41.26
CCC(C)(C)C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626326	0	38	-1.0	-47.51	283.36	8.15	-39.36
CCC(C)(C)C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626326	1	38	-1.0	-47.48	283.53	8.14	-39.34
CN(C(=O)C1(C#N)CCSCC1)C1=N[N-]N=N1	REAL250004626327	0	28	-1.0	-33.37	233.74	4.49	-28.88
CN(C(=O)C1(C#N)CCSCC1)C1=NN=N[N-]1	REAL250004626327	1	28	-1.0	-33.44	233.61	4.50	-28.94
CN(C(=O)C1=CC=CC=C1CC(C)(C)C)C1=NN=N[N-]1	REAL250004626328	0	38	-1.0	-49.75	288.46	7.96	-41.79
CN(C(=O)C1=CC=CC=C1CC(C)(C)C)C1=N[N-]N=N1	REAL250004626328	1	38	-1.0	-49.62	288.58	7.95	-41.67
CN(C(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=N[N-]N=N1	REAL250004626329	0	33	-1.0	-55.68	279.97	5.50	-50.18
CN(C(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=NN=N[N-]1	REAL250004626329	1	33	-1.0	-55.76	279.84	5.52	-50.24
CN(C(=O)C1(C)CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL250004626330	0	38	-1.0	-33.87	276.38	4.02	-29.85
CN(C(=O)C1(C)CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL250004626330	1	38	-1.0	-33.92	276.23	4.03	-29.89
CN(C(=O)C1=CC=C(Br)NC1=O)C1=N[N-]N=N1	REAL250004626331	0	23	-1.0	-57.36	235.46	2.53	-54.83
CN(C(=O)C1=CC=C(Br)NC1=O)C1=NN=N[N-]1	REAL250004626331	1	23	-1.0	-57.39	235.32	2.54	-54.85
CN(C(=O)C1=CC=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL250004626332	0	30	-1.0	-58.36	259.84	4.22	-54.14
CN(C(=O)C1=CC=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL250004626332	1	30	-1.0	-58.29	260.00	4.21	-54.08
CN(C(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL250004626333	0	39	-1.0	-45.55	310.06	7.84	-37.71
CN(C(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL250004626333	1	39	-1.0	-45.50	310.20	7.82	-37.68
CN(C(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004626334	0	29	-1.0	-53.76	273.36	4.69	-49.07
CN(C(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004626334	1	29	-1.0	-53.88	273.22	4.72	-49.16
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004626335	0	29	-1.0	-45.61	260.83	6.53	-39.08
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004626335	1	29	-1.0	-45.57	260.97	6.51	-39.06
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004626336	0	27	-1.0	-54.28	242.45	4.53	-49.75
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004626336	1	27	-1.0	-54.37	242.32	4.56	-49.81
CC1=C(C)N2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004626337	0	32	-1.0	-52.39	270.50	5.85	-46.54
CC1=C(C)N2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004626337	1	32	-1.0	-52.35	270.64	5.84	-46.51
CN(C(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL250004626338	0	32	-1.0	-51.01	273.88	7.67	-43.34
CN(C(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL250004626338	1	32	-1.0	-50.95	274.02	7.65	-43.30
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C12	REAL250004626339	0	31	-1.0	-59.59	258.90	6.17	-53.42
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C12	REAL250004626339	1	31	-1.0	-59.58	259.05	6.15	-53.43
CN(C(=O)C1=C2C=COC2=C(F)C=C1)C1=NN=N[N-]1	REAL250004626340	0	26	-1.0	-48.45	238.08	5.40	-43.05
CN(C(=O)C1=C2C=COC2=C(F)C=C1)C1=N[N-]N=N1	REAL250004626340	1	26	-1.0	-48.38	238.21	5.36	-43.02
CN(C(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004626341	0	26	-1.0	-48.14	248.42	5.84	-42.30
CN(C(=O)C1=C2C=COC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004626341	1	26	-1.0	-48.09	248.53	5.83	-42.26
CN(C(=O)C1=CC(Cl)=NC=C1F)C1=NN=N[N-]1	REAL250004626342	0	22	-1.0	-44.12	221.57	3.69	-40.43
CN(C(=O)C1=CC(Cl)=NC=C1F)C1=N[N-]N=N1	REAL250004626342	1	22	-1.0	-44.02	221.70	3.68	-40.34
CN(C(=O)C1=C(F)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004626343	0	26	-1.0	-52.78	241.71	3.86	-48.92
CN(C(=O)C1=C(F)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004626343	1	26	-1.0	-52.68	241.86	3.85	-48.83
CN(C(=O)C1=C2OC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL250004626344	0	26	-1.0	-50.39	234.84	5.54	-44.85
CN(C(=O)C1=C2OC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL250004626344	1	26	-1.0	-50.33	234.99	5.54	-44.79
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=CC=C1	REAL250004626345	0	29	-1.0	-45.41	254.41	6.46	-38.95
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=CC=C1	REAL250004626345	1	29	-1.0	-45.38	254.55	6.45	-38.93
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626346	0	29	-1.0	-48.94	270.59	6.58	-42.36
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626346	1	29	-1.0	-48.87	270.73	6.58	-42.29
CC1=C(C=CC(=O)N(C)C2=N[N-]N=N2)SC=N1	REAL250004626347	0	26	-1.0	-47.78	243.68	4.27	-43.51
CC1=C(C=CC(=O)N(C)C2=NN=N[N-]2)SC=N1	REAL250004626347	1	26	-1.0	-47.93	243.53	4.28	-43.65
CN(C(=O)C=CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL250004626348	0	27	-1.0	-46.93	255.65	6.99	-39.94
CN(C(=O)C=CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL250004626348	1	27	-1.0	-47.02	255.50	6.99	-40.03
CN(C(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL250004626349	0	35	-1.0	-48.13	305.35	6.25	-41.88
CN(C(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL250004626349	1	35	-1.0	-48.24	305.20	6.26	-41.98
CN(C(=O)C1=CNC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626350	0	34	-1.0	-57.30	282.60	7.22	-50.08
CN(C(=O)C1=CNC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626350	1	34	-1.0	-57.22	282.74	7.20	-50.02
CN(C(=O)CC1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004626351	0	29	-1.0	-57.37	271.31	5.10	-52.27
CN(C(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004626351	1	29	-1.0	-57.43	271.17	5.13	-52.30
CC(C)CN1NC(CC(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004626352	1	36	-1.0	-57.09	304.81	4.70	-52.39
CC1=C(OCC(=O)N(C)C2=N[N-]N=N2)C(=O)C=CO1	REAL250004626353	0	29	-1.0	-57.77	261.91	5.19	-52.58
CC1=C(OCC(=O)N(C)C2=NN=N[N-]2)C(=O)C=CO1	REAL250004626353	1	29	-1.0	-57.86	261.78	5.21	-52.65
CN(C(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004626354	0	31	-1.0	-50.56	277.18	7.21	-43.35
CN(C(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004626354	1	31	-1.0	-50.61	277.04	7.25	-43.36
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=NN=N[N-]1	REAL250004626355	0	37	-1.0	-45.95	283.36	5.72	-40.23
CN(C(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=N[N-]N=N1	REAL250004626355	1	37	-1.0	-45.91	283.52	5.70	-40.21
CN(C(=O)C1=CC=C(C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004626356	0	23	-1.0	-41.13	227.77	4.62	-36.51
CN(C(=O)C1=CC=C(C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004626356	1	23	-1.0	-41.24	227.62	4.64	-36.60
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626357	0	36	-1.0	-50.00	291.86	8.72	-41.28
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626357	1	36	-1.0	-49.88	291.99	8.72	-41.16
CCC1=NOC(COCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626358	0	31	-1.0	-57.18	277.40	2.55	-54.63
CCC1=NOC(COCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626358	1	31	-1.0	-57.26	277.26	2.57	-54.69
CN(C(=O)CC1CCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL250004626359	0	30	-1.0	-52.75	265.66	4.80	-47.95
CN(C(=O)CC1CCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL250004626359	1	30	-1.0	-52.85	265.52	4.82	-48.03
COC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004626360	0	35	-1.0	-46.39	293.12	5.28	-41.11
COC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004626360	1	35	-1.0	-46.30	293.26	5.26	-41.04
CC1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626361	0	25	-1.0	-49.05	237.28	5.41	-43.64
CC1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626361	1	25	-1.0	-49.15	237.14	5.41	-43.74
CN(C(=O)C1=CC=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL250004626362	0	27	-1.0	-53.05	249.72	4.58	-48.47
CN(C(=O)C1=CC=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL250004626362	1	27	-1.0	-53.14	249.59	4.60	-48.54
CC1=CC2=CC=C(C)C(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004626363	0	35	-1.0	-52.08	295.17	8.47	-43.61
CC1=CC2=CC=C(C)C(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004626363	1	35	-1.0	-52.18	294.53	8.42	-43.76
CC1=NN(C)C=C1C1=NOC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626364	0	34	-1.0	-57.30	292.84	5.02	-52.28
CC1=NN(C)C=C1C1=NOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626364	1	34	-1.0	-57.34	292.70	5.03	-52.31
CN(C(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL250004626365	0	29	-1.0	-49.97	259.57	4.94	-45.03
CN(C(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL250004626365	1	29	-1.0	-49.85	259.71	4.93	-44.92
CN(C(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL250004626366	0	30	-1.0	-49.93	269.66	5.39	-44.54
CN(C(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL250004626366	1	30	-1.0	-49.87	269.80	5.38	-44.49
CN(C(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL250004626367	0	34	-1.0	-49.95	279.69	5.84	-44.11
CN(C(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL250004626367	1	34	-1.0	-49.88	279.82	5.86	-44.02
CN(C(=O)CCNC(=O)C=CCl)C1=N[N-]N=N1	REAL250004626368	0	27	-1.0	-54.04	259.69	2.45	-51.59
CN(C(=O)CCNC(=O)C=CCl)C1=NN=N[N-]1	REAL250004626368	1	27	-1.0	-54.13	259.55	2.48	-51.65
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CN=C1Br	REAL250004626369	0	25	-1.0	-44.17	236.89	4.22	-39.95
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CN=C1Br	REAL250004626369	1	25	-1.0	-44.11	237.03	4.21	-39.90
CN(C(=O)C1=CC(=O)NC2=C1CCCC2)C1=NN=N[N-]1	REAL250004626370	0	33	-1.0	-50.64	274.44	4.30	-46.34
CN(C(=O)C1=CC(=O)NC2=C1CCCC2)C1=N[N-]N=N1	REAL250004626370	1	33	-1.0	-50.57	274.57	4.28	-46.29
CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=N[N-]N=N1	REAL250004626371	0	40	-1.0	-53.20	311.96	2.66	-50.54
CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NN=N[N-]1	REAL250004626371	1	40	-1.0	-53.36	311.97	2.65	-50.71
CCCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(=O)N1	REAL250004626372	0	32	-1.0	-48.30	278.99	4.14	-44.16
CCCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(=O)N1	REAL250004626372	1	32	-1.0	-48.21	279.12	4.15	-44.06
CN(C(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004626373	0	26	-1.0	-48.24	251.52	3.11	-45.13
CN(C(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004626373	1	26	-1.0	-48.29	251.38	3.11	-45.18
CCSC1=CNC(=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626374	0	30	-1.0	-60.96	275.76	3.91	-57.05
CCSC1=CNC(=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626374	1	30	-1.0	-60.90	275.85	3.90	-57.00
CN(C(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=NN=N[N-]1	REAL250004626375	0	29	-1.0	-57.64	265.36	4.60	-53.04
CN(C(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=N[N-]N=N1	REAL250004626375	1	29	-1.0	-57.57	265.52	4.58	-52.99
CN(C(=O)C12CCOC1CCCC2)C1=N[N-]N=N1	REAL250004626376	0	34	-1.0	-52.49	249.08	4.41	-48.08
CN(C(=O)C12CCOC1CCCC2)C1=NN=N[N-]1	REAL250004626376	1	34	-1.0	-52.60	248.94	4.44	-48.16
CN(C(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004626377	0	28	-1.0	-57.34	263.03	5.37	-51.97
CN(C(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004626377	1	28	-1.0	-57.43	262.90	5.39	-52.04
CCOC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626378	0	32	-1.0	-54.47	277.36	3.88	-50.59
CCOC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626378	1	32	-1.0	-54.54	277.22	3.91	-50.63
CN(C(=O)C1=CC(=O)NC=C1Br)C1=N[N-]N=N1	REAL250004626380	0	23	-1.0	-49.55	234.67	2.57	-46.98
CN(C(=O)C1=CC(=O)NC=C1Br)C1=NN=N[N-]1	REAL250004626380	1	23	-1.0	-49.61	234.52	2.56	-47.05
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(Br)=NN1	REAL250004626381	0	23	-1.0	-46.31	232.61	2.67	-43.64
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(Br)=NN1	REAL250004626381	1	23	-1.0	-46.39	232.47	2.69	-43.70
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626382	0	31	-1.0	-55.77	272.15	1.58	-54.19
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626382	1	31	-1.0	-55.73	272.27	1.56	-54.17
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CNC2=N1	REAL250004626383	0	28	-1.0	-71.48	243.89	3.73	-67.75
CC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CNC2=N1	REAL250004626383	1	28	-1.0	-71.36	244.06	3.72	-67.64
CC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CN=C2N1	REAL250004626383	1	28	-1.0	-57.75	244.00	3.73	-54.02
CC1=NN(CC(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C12	REAL250004626384	0	31	-1.0	-57.66	275.27	5.33	-52.33
CC1=NN(CC(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C12	REAL250004626384	1	31	-1.0	-57.59	275.41	5.30	-52.29
CN(C(=O)C1=CC=C(CN2CCCCC2)O1)C1=N[N-]N=N1	REAL250004626385	0	38	-1.0	-45.68	305.30	5.14	-40.54
CN(C(=O)C1=CC=C(CN2CCCCC2)O1)C1=NN=N[N-]1	REAL250004626385	1	38	-1.0	-45.74	305.15	5.17	-40.57
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626386	0	31	-1.0	-54.16	272.12	1.57	-52.59
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626386	1	31	-1.0	-54.07	272.26	1.54	-52.53
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626387	0	38	-1.0	-49.28	308.79	7.67	-41.61
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626387	1	38	-1.0	-49.30	308.65	7.71	-41.59
CN(C(=O)C1=CC=C(CC2CC2)S1)C1=N[N-]N=N1	REAL250004626388	0	30	-1.0	-45.94	267.39	6.98	-38.96
CN(C(=O)C1=CC=C(CC2CC2)S1)C1=NN=N[N-]1	REAL250004626388	1	30	-1.0	-46.07	267.24	7.00	-39.07
COC1=CC(OC)=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626389	0	34	-1.0	-51.61	288.87	4.57	-47.04
COC1=CC(OC)=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626389	1	34	-1.0	-51.69	288.73	4.61	-47.08
CN(C(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004626390	0	32	-1.0	-50.16	272.76	7.67	-42.49
CN(C(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004626390	1	32	-1.0	-50.11	272.90	7.66	-42.45
CN(C(=O)CCCCCCCCC1CC1)C1=N[N-]N=N1	REAL250004626391	0	44	-1.0	-47.08	351.96	10.01	-37.07
CN(C(=O)CCCCCCCCC1CC1)C1=NN=N[N-]1	REAL250004626391	1	44	-1.0	-47.21	351.82	10.04	-37.17
CN(C(=O)C12CCC(C)(CC1)OC2)C1=N[N-]N=N1	REAL250004626392	0	34	-1.0	-32.39	250.19	4.01	-28.38
CN(C(=O)C12CCC(C)(CC1)OC2)C1=NN=N[N-]1	REAL250004626392	1	34	-1.0	-32.42	250.07	4.02	-28.40
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)SN=N1	REAL250004626393	0	27	-1.0	-40.35	242.05	3.37	-36.98
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)SN=N1	REAL250004626393	1	27	-1.0	-40.46	241.91	3.41	-37.05
CN(C(=O)C1=CC2=C(C=NN2C)NC1=O)C1=NN=N[N-]1	REAL250004626396	0	29	-1.0	-56.49	263.90	1.86	-54.63
CN(C(=O)C1=CC2=C(C=NN2C)NC1=O)C1=N[N-]N=N1	REAL250004626396	1	29	-1.0	-56.43	264.03	1.86	-54.57
COC1=C2C=CSC2=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626397	0	30	-1.0	-51.08	269.72	5.67	-45.41
COC1=C2C=CSC2=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626397	1	30	-1.0	-51.01	269.85	5.65	-45.36
CN(C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL250004626398	0	33	-1.0	-49.19	268.56	7.38	-41.81
CN(C(=O)C1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL250004626398	1	33	-1.0	-49.11	268.70	7.39	-41.72
CC1CCN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C1	REAL250004626399	0	38	-1.0	-45.82	302.88	6.14	-39.68
CC1CCN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C1	REAL250004626399	1	38	-1.0	-45.73	303.02	6.13	-39.60
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004626400	0	29	-1.0	-47.00	253.69	6.36	-40.64
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004626400	1	29	-1.0	-47.11	253.56	6.39	-40.72
CN(C(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=N[N-]N=N1	REAL250004626401	0	30	-1.0	-53.76	267.55	2.79	-50.97
CN(C(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NN=N[N-]1	REAL250004626401	1	30	-1.0	-53.82	267.41	2.79	-51.03
CN(C(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NN=N[N-]1	REAL250004626402	0	26	-1.0	-43.87	255.78	6.75	-37.12
CN(C(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=N[N-]N=N1	REAL250004626402	1	26	-1.0	-43.78	255.93	6.72	-37.06
CN(C(=O)C1=NOC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626403	0	29	-1.0	-49.46	259.35	6.62	-42.84
CN(C(=O)C1=NOC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626403	1	29	-1.0	-49.45	259.47	6.61	-42.84
COC1=CC=CC(N2C=CC(C(=O)N(C)C3=NN=N[N-]3)=N2)=C1	REAL250004626404	0	34	-1.0	-53.09	293.08	6.07	-47.02
COC1=CC=CC(N2C=CC(C(=O)N(C)C3=N[N-]N=N3)=N2)=C1	REAL250004626404	1	34	-1.0	-53.02	293.22	6.06	-46.96
COC(C(=O)N(C)C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004626405	0	30	-1.0	-48.54	269.24	5.89	-42.65
COC(C(=O)N(C)C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004626405	1	30	-1.0	-48.59	269.11	5.91	-42.68
C[C@@H]1C[C@H](C(=O)N(C)C2=N[N-]N=N2)CC(C)(C)C1	REAL250004626406	0	38	-1.0	-32.62	281.07	7.06	-25.56
C[C@@H]1C[C@H](C(=O)N(C)C2=NN=N[N-]2)CC(C)(C)C1	REAL250004626406	1	38	-1.0	-32.70	280.93	7.07	-25.63
CN(C(=O)C1=NNC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004626407	0	31	-1.0	-50.75	262.62	4.24	-46.51
CN(C(=O)C1=NNC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004626407	1	31	-1.0	-50.80	262.48	4.25	-46.55
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004626408	0	32	-1.0	-48.17	273.61	7.62	-40.55
CN(C(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004626408	1	32	-1.0	-48.11	273.75	7.60	-40.51
CN(C(=O)C1=CN(CC2CCCO2)N=N1)C1=NN=N[N-]1	REAL250004626409	0	33	-1.0	-48.81	282.09	3.01	-45.80
CN(C(=O)C1=CN(CC2CCCO2)N=N1)C1=N[N-]N=N1	REAL250004626409	1	33	-1.0	-48.68	282.24	2.99	-45.69
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(OC)=N1	REAL250004626410	0	30	-1.0	-49.71	262.94	1.03	-48.68
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(OC)=N1	REAL250004626410	1	30	-1.0	-49.64	263.08	1.03	-48.61
CN(C(=O)CC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004626411	0	30	-1.0	-55.78	264.41	2.74	-53.04
CN(C(=O)CC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004626411	1	30	-1.0	-55.86	264.28	2.77	-53.09
CCC(=O)NC1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626412	0	32	-1.0	-57.44	273.14	2.75	-54.69
CCC(=O)NC1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626412	1	32	-1.0	-57.41	273.28	2.75	-54.66
CN(C(=O)C1=CC(Cl)=C(N)C=C1F)C1=NN=N[N-]1	REAL250004626413	0	25	-1.0	-49.87	235.35	3.42	-46.45
CN(C(=O)C1=CC(Cl)=C(N)C=C1F)C1=N[N-]N=N1	REAL250004626413	1	25	-1.0	-49.75	235.50	3.41	-46.34
CCOC(=O)C1CC12CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004626414	0	36	-1.0	-51.18	301.85	7.16	-44.02
CCOC(=O)C1CC12CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004626414	1	36	-1.0	-51.27	301.72	7.18	-44.09
CN(C(=O)C1=CC=C(Cl)C(O)=C1)C1=NN=N[N-]1	REAL250004626415	1	24	-1.0	-46.61	230.02	2.62	-43.99
CN(C(=O)C1=CC=C(Cl)C(O)=C1)C1=N[N-]N=N1	REAL250004626415	1	24	-1.0	-46.52	230.16	2.63	-43.89
COC(=O)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)N1	REAL250004626416	0	33	-1.0	-48.19	292.96	5.05	-43.14
COC(=O)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)N1	REAL250004626416	1	33	-1.0	-48.25	292.82	5.09	-43.16
CN(C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004626417	0	25	-1.0	-40.10	248.59	4.59	-35.51
CN(C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004626417	1	25	-1.0	-40.09	248.73	4.56	-35.53
CCOC1(OCC)CC(C)(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626418	0	40	-1.0	-33.00	306.04	5.51	-27.49
CCOC1(OCC)CC(C)(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626418	1	40	-1.0	-33.02	305.90	5.53	-27.49
CN(C(=O)CC(C(F)F)N1C=CC=N1)C1=NN=N[N-]1	REAL250004626419	0	29	-1.0	-51.50	256.40	4.89	-46.61
CN(C(=O)CC(C(F)F)N1C=CC=N1)C1=N[N-]N=N1	REAL250004626419	1	29	-1.0	-51.42	256.53	4.87	-46.55
CN(C(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=N[N-]N=N1	REAL250004626420	0	30	-1.0	-62.87	272.21	4.11	-58.76
CN(C(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=NN=N[N-]1	REAL250004626420	1	30	-1.0	-62.93	272.08	4.13	-58.80
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626421	0	37	-1.0	-45.44	293.34	6.15	-39.29
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626421	1	37	-1.0	-45.47	293.19	6.18	-39.29
CC(C)C1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626422	0	32	-1.0	-46.64	278.30	7.34	-39.30
CC(C)C1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626422	1	32	-1.0	-46.56	278.43	7.32	-39.24
CC1CN2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C(=O)N1	REAL250004626423	0	31	-1.0	-55.38	266.57	1.71	-53.67
CC1CN2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C(=O)N1	REAL250004626423	1	31	-1.0	-55.24	266.71	1.69	-53.55
CN(C(=O)C1(C2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004626424	0	34	-1.0	-53.78	261.97	4.76	-49.02
CN(C(=O)C1(C2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004626424	1	34	-1.0	-53.81	261.83	4.77	-49.04
CN(C(=O)C1(C)CC2CCC(C1)S2)C1=N[N-]N=N1	REAL250004626425	0	34	-1.0	-52.66	251.01	5.99	-46.67
CN(C(=O)C1(C)CC2CCC(C1)S2)C1=NN=N[N-]1	REAL250004626425	1	34	-1.0	-52.71	250.87	6.00	-46.71
CN(C(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004626426	0	36	-1.0	-50.84	254.66	1.72	-49.12
CN(C(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004626426	1	36	-1.0	-50.91	254.51	1.72	-49.19
CN(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004626427	0	27	-1.0	-45.20	240.49	3.27	-41.93
CN(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004626427	1	27	-1.0	-45.27	240.35	3.29	-41.98
CN(C(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NN=N[N-]1	REAL250004626428	0	28	-1.0	-50.02	259.06	2.55	-47.47
CN(C(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=N[N-]N=N1	REAL250004626428	1	28	-1.0	-49.89	259.20	2.55	-47.34
CN(C(=O)CC(C(F)F)N1C=CN=C1)C1=N[N-]N=N1	REAL250004626429	0	29	-1.0	-48.26	257.11	6.11	-42.15
CN(C(=O)CC(C(F)F)N1C=CN=C1)C1=NN=N[N-]1	REAL250004626429	1	29	-1.0	-48.39	256.98	6.12	-42.27
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CS2)=NO1	REAL250004626430	0	29	-1.0	-45.64	278.68	6.19	-39.45
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CS2)=NO1	REAL250004626430	1	29	-1.0	-45.54	278.82	6.17	-39.37
CN(C(=O)C(O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL250004626431	0	32	-1.0	-47.47	262.22	3.96	-43.51
CN(C(=O)C(O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL250004626431	1	32	-1.0	-47.53	262.08	3.99	-43.54
CN(C(=O)C1=CC=C(F)C2=CC=CN=C12)C1=NN=N[N-]1	REAL250004626432	0	28	-1.0	-54.27	246.87	5.67	-48.60
CN(C(=O)C1=CC=C(F)C2=CC=CN=C12)C1=N[N-]N=N1	REAL250004626432	1	28	-1.0	-54.17	247.01	5.67	-48.50
CN(C(=O)C1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004626433	0	26	-1.0	-54.05	247.14	4.76	-49.29
CN(C(=O)C1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004626433	1	26	-1.0	-53.93	247.28	4.74	-49.19
CN(C(=O)C1=NC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004626434	0	22	-1.0	-44.68	228.53	5.22	-39.46
CN(C(=O)C1=NC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004626434	1	22	-1.0	-44.64	228.67	5.22	-39.42
CN(C(=O)C1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004626435	0	28	-1.0	-51.50	245.44	6.49	-45.01
CN(C(=O)C1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004626435	1	28	-1.0	-51.46	245.58	6.47	-44.99
CN(C(=O)C1COC2=CC(Cl)=CC=C2C1)C1=N[N-]N=N1	REAL250004626436	0	31	-1.0	-42.85	271.64	6.06	-36.79
CN(C(=O)C1COC2=CC(Cl)=CC=C2C1)C1=NN=N[N-]1	REAL250004626436	1	31	-1.0	-42.95	271.50	6.08	-36.87
CN(C(=O)COC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL250004626437	0	26	-1.0	-47.51	242.56	3.37	-44.14
CN(C(=O)COC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL250004626437	1	26	-1.0	-47.45	242.70	3.35	-44.10
CN(C(=O)CC1COCC(C)(C)O1)C1=N[N-]N=N1	REAL250004626438	0	34	-1.0	-51.99	272.28	4.21	-47.78
CN(C(=O)CC1COCC(C)(C)O1)C1=NN=N[N-]1	REAL250004626438	1	34	-1.0	-52.10	272.15	4.23	-47.87
CN(C(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL250004626439	0	31	-1.0	-55.43	274.86	4.33	-51.10
CN(C(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL250004626439	1	31	-1.0	-55.35	275.00	4.32	-51.03
CN(C(=O)CCCCC(F)(F)F)C1=N[N-]N=N1	REAL250004626440	0	28	-1.0	-47.06	252.48	5.70	-41.36
CN(C(=O)CCCCC(F)(F)F)C1=NN=N[N-]1	REAL250004626440	1	28	-1.0	-47.13	252.35	5.73	-41.40
CN(C(=O)C(F)(F)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004626441	0	26	-1.0	-41.37	237.34	3.40	-37.97
CN(C(=O)C(F)(F)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004626441	1	26	-1.0	-41.32	237.47	3.36	-37.96
COC1=CC=C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004626442	0	29	-1.0	-41.21	263.91	2.63	-38.58
COC1=CC=C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004626442	1	29	-1.0	-41.13	264.05	2.60	-38.53
CN(C(=O)C(F)(F)C1=CSC=N1)C1=NN=N[N-]1	REAL250004626443	0	22	-1.0	-46.61	220.65	3.61	-43.00
CN(C(=O)C(F)(F)C1=CSC=N1)C1=N[N-]N=N1	REAL250004626443	1	22	-1.0	-46.54	220.78	3.59	-42.95
CN(C(=O)C1=CC=CC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004626444	0	34	-1.0	-48.86	273.79	6.57	-42.29
CN(C(=O)C1=CC=CC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004626444	1	34	-1.0	-48.83	273.92	6.56	-42.27
CN(C(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004626445	0	29	-1.0	-62.54	261.41	-1.94	-64.48
CN(C(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004626445	1	29	-1.0	-62.49	261.56	-1.96	-64.45
CC1=NC2=C(CCCC2CC(=O)N(C)C2=N[N-]N=N2)O1	REAL250004626446	0	35	-1.0	-56.17	284.09	4.75	-51.42
CC1=NC2=C(CCCC2CC(=O)N(C)C2=NN=N[N-]2)O1	REAL250004626446	1	35	-1.0	-56.23	283.95	4.78	-51.45
CN(C(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL250004626447	0	34	-1.0	-49.67	293.30	3.75	-45.92
CN(C(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL250004626447	1	34	-1.0	-49.73	293.17	3.77	-45.96
CCCCCC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626448	0	41	-1.0	-47.66	337.25	9.74	-37.92
CCCCCC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626448	1	41	-1.0	-47.71	337.11	9.77	-37.94
CN(C(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=N[N-]N=N1	REAL250004626449	0	31	-1.0	-32.86	266.86	5.89	-26.97
CN(C(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NN=N[N-]1	REAL250004626449	1	31	-1.0	-32.91	266.71	5.90	-27.01
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626450	0	38	-1.0	-54.57	312.92	7.92	-46.65
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626450	1	38	-1.0	-54.66	312.78	7.94	-46.72
CCCCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626451	0	31	-1.0	-45.46	273.19	5.10	-40.36
CCCCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626451	1	31	-1.0	-45.54	273.04	5.12	-40.42
CN(C(=O)C1=CN=C(COC(C)(C)C)S1)C1=N[N-]N=N1	REAL250004626452	0	35	-1.0	-45.28	299.25	3.87	-41.41
CN(C(=O)C1=CN=C(COC(C)(C)C)S1)C1=NN=N[N-]1	REAL250004626452	1	35	-1.0	-45.32	299.10	3.88	-41.44
CC(=O)N1CSC[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626453	0	28	-1.0	-58.89	242.38	4.41	-54.48
CC(=O)N1CSC[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626453	1	28	-1.0	-58.99	242.24	4.43	-54.56
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCCCO1	REAL250004626454	0	34	-1.0	-48.47	258.87	3.73	-44.74
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCCCO1	REAL250004626454	1	34	-1.0	-48.58	258.73	3.74	-44.84
CC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)(F)F	REAL250004626455	0	29	-1.0	-52.83	255.80	6.41	-46.42
CC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)(F)F	REAL250004626455	1	29	-1.0	-52.90	255.67	6.41	-46.49
CN(C(=O)[C@]12CCO[C@@H]1CCCCC2)C1=N[N-]N=N1	REAL250004626456	0	37	-1.0	-50.80	249.36	4.11	-46.69
CN(C(=O)[C@]12CCO[C@@H]1CCCCC2)C1=NN=N[N-]1	REAL250004626456	1	37	-1.0	-50.89	249.21	4.12	-46.77
CN(C(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NN=N[N-]1	REAL250004626457	0	36	-1.0	-50.53	284.64	6.88	-43.65
CN(C(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=N[N-]N=N1	REAL250004626457	1	36	-1.0	-50.40	284.77	6.86	-43.54
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004626458	0	30	-1.0	-51.88	268.91	7.38	-44.50
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004626458	1	30	-1.0	-51.95	268.77	7.40	-44.55
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=N1	REAL250004626459	0	26	-1.0	-46.72	246.29	2.11	-44.61
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=N1	REAL250004626459	1	26	-1.0	-46.65	246.42	2.10	-44.55
CCC1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CNC2=N1	REAL250004626460	0	31	-1.0	-71.16	264.51	4.61	-66.55
CCC1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CNC2=N1	REAL250004626460	1	31	-1.0	-71.15	264.63	4.61	-66.54
CN(C(=O)C1=C2N=C(CC3CC3)N=C2NC=C1)C1=NN=N[N-]1	REAL250004626461	0	35	-1.0	-71.89	295.12	6.21	-65.68
CN(C(=O)C1=C2N=C(CC3CC3)N=C2NC=C1)C1=N[N-]N=N1	REAL250004626461	1	35	-1.0	-71.87	295.25	6.21	-65.66
CN(C(=O)C(O)C1CCCCCCC1)C1=N[N-]N=N1	REAL250004626462	0	39	-1.0	-31.57	272.32	5.04	-26.53
CN(C(=O)C(O)C1CCCCCCC1)C1=NN=N[N-]1	REAL250004626462	1	39	-1.0	-31.64	272.19	5.06	-26.58
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2CCCCC2=N1	REAL250004626463	0	35	-1.0	-45.73	276.43	6.17	-39.56
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2CCCCC2=N1	REAL250004626463	1	35	-1.0	-45.66	276.57	6.18	-39.48
CC[C@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004626464	0	42	-1.0	-53.87	329.55	4.55	-49.32
CC[C@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004626464	1	42	-1.0	-53.95	329.42	4.58	-49.37
CC[C@@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004626465	0	42	-1.0	-53.86	329.55	4.55	-49.31
CC[C@@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004626465	1	42	-1.0	-53.99	329.42	4.58	-49.41
CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=N[N-]N=N1	REAL250004626466	0	27	-1.0	-52.09	245.14	-2.20	-54.29
CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=NN=N[N-]1	REAL250004626466	1	27	-1.0	-52.20	245.00	-2.18	-54.38
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004626467	0	37	-1.0	-48.08	304.21	4.59	-43.49
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004626467	1	37	-1.0	-47.99	304.36	4.58	-43.41
CN(C(=O)C1CCC(O)(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004626468	0	37	-1.0	-53.21	293.81	4.96	-48.25
CN(C(=O)C1CCC(O)(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004626468	1	37	-1.0	-53.30	293.67	4.99	-48.31
CN(C(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004626469	0	34	-1.0	-48.26	282.66	3.72	-44.54
CN(C(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004626469	1	34	-1.0	-48.22	282.79	3.70	-44.52
CC1=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=NN1C	REAL250004626470	0	37	-1.0	-46.91	298.58	4.09	-42.82
CC1=C([C@@H]2OCC[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=NN1C	REAL250004626470	1	37	-1.0	-47.03	298.44	4.10	-42.93
CN(C(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004626471	0	37	-1.0	-48.50	286.99	4.47	-44.03
CN(C(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004626471	1	37	-1.0	-48.58	286.85	4.49	-44.09
CN(C(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004626472	0	32	-1.0	-45.89	278.16	4.72	-41.17
CN(C(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004626472	1	32	-1.0	-45.94	278.02	4.72	-41.22
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C(C)C)O1	REAL250004626473	0	38	-1.0	-46.43	310.54	7.46	-38.97
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C(C)C)O1	REAL250004626473	1	38	-1.0	-46.55	310.40	7.47	-39.08
CN(C(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626474	0	31	-1.0	-52.97	273.36	4.82	-48.15
CN(C(=O)CN1N=NN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626474	1	31	-1.0	-52.89	273.50	4.79	-48.10
CN(C(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL250004626475	0	30	-1.0	-46.93	267.87	4.30	-42.63
CN(C(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL250004626475	1	30	-1.0	-46.87	268.01	4.29	-42.58
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)O2)N1	REAL250004626476	0	30	-1.0	-44.24	274.52	4.11	-40.13
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)O2)N1	REAL250004626476	1	30	-1.0	-44.19	274.67	4.09	-40.10
COC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004626477	0	33	-1.0	-49.14	276.12	5.75	-43.39
COC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004626477	1	33	-1.0	-49.26	275.99	5.78	-43.48
CN(C(=O)C1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004626478	0	26	-1.0	-49.03	237.17	4.04	-44.99
CN(C(=O)C1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004626478	1	26	-1.0	-49.09	237.02	4.06	-45.03
CN(C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004626479	0	32	-1.0	-47.96	277.21	7.88	-40.08
CN(C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004626479	1	32	-1.0	-48.02	277.08	7.90	-40.12
CN(C(=O)C1=CC=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL250004626480	0	26	-1.0	-47.90	242.30	5.88	-42.02
CN(C(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL250004626480	1	26	-1.0	-47.94	242.15	5.87	-42.07
CC(C)CC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626481	0	31	-1.0	-45.62	268.39	4.79	-40.83
CC(C)CC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626481	1	31	-1.0	-45.72	268.25	4.81	-40.91
CN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626482	0	38	-1.0	-55.94	300.43	7.24	-48.70
CN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626482	1	38	-1.0	-56.06	300.30	7.26	-48.80
CN(C(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626483	0	31	-1.0	-48.38	262.98	4.75	-43.63
CN(C(=O)C1=CN=C2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626483	1	31	-1.0	-48.31	263.12	4.74	-43.57
CN(C(=O)C1=CN=C2SCCN12)C1=NN=N[N-]1	REAL250004626484	0	25	-1.0	-47.17	227.79	4.08	-43.09
CN(C(=O)C1=CN=C2SCCN12)C1=N[N-]N=N1	REAL250004626484	1	25	-1.0	-47.08	227.86	4.06	-43.02
CN(C(=O)C1=C(S(N)(=O)=O)N(C)N=C1)C1=NN=N[N-]1	REAL250004626485	0	28	-1.0	-52.99	253.53	-1.39	-54.38
CN(C(=O)C1=C(S(N)(=O)=O)N(C)N=C1)C1=N[N-]N=N1	REAL250004626485	1	28	-1.0	-52.90	253.66	-1.42	-54.32
CN(C(=O)C1=CC=C(C(F)F)C(F)=C1)C1=N[N-]N=N1	REAL250004626486	0	26	-1.0	-44.62	241.46	5.87	-38.75
CN(C(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NN=N[N-]1	REAL250004626486	1	26	-1.0	-44.72	241.32	5.86	-38.86
CN(C(=O)C1=CSC(C2CCCCC2)=C1)C1=N[N-]N=N1	REAL250004626487	0	36	-1.0	-46.22	297.82	7.95	-38.27
CN(C(=O)C1=CSC(C2CCCCC2)=C1)C1=NN=N[N-]1	REAL250004626487	1	36	-1.0	-46.33	297.67	7.99	-38.34
CN(C(=O)C1=CN=C(CC(C)(C)C)S1)C1=N[N-]N=N1	REAL250004626488	0	34	-1.0	-45.78	285.10	5.36	-40.42
CN(C(=O)C1=CN=C(CC(C)(C)C)S1)C1=NN=N[N-]1	REAL250004626488	1	34	-1.0	-45.83	284.95	5.38	-40.45
COC(=O)C1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626489	0	32	-1.0	-49.17	276.65	6.26	-42.91
COC(=O)C1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626489	1	32	-1.0	-49.08	276.78	6.25	-42.83
COC12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)CC2	REAL250004626490	0	37	-1.0	-29.53	263.63	4.43	-25.10
COC12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)CC2	REAL250004626490	1	37	-1.0	-29.59	263.50	4.45	-25.14
CC(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626491	0	28	-1.0	-54.25	247.81	3.25	-51.00
CC(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626491	1	28	-1.0	-54.35	247.67	3.29	-51.06
CN(C(=O)C1=CC=C2SC=NC2=C1)C1=NN=N[N-]1	REAL250004626492	0	25	-1.0	-50.52	234.10	4.30	-46.22
CN(C(=O)C1=CC=C2SC=NC2=C1)C1=N[N-]N=N1	REAL250004626492	1	25	-1.0	-50.43	234.24	4.29	-46.14
CN(C(=O)C=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004626493	0	27	-1.0	-50.57	253.18	6.89	-43.68
CN(C(=O)C=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004626493	1	27	-1.0	-50.65	253.03	6.91	-43.74
CN(C(=O)C=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL250004626494	0	24	-1.0	-45.60	243.20	5.38	-40.22
CN(C(=O)C=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL250004626494	1	24	-1.0	-45.66	243.05	5.40	-40.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL250004626495	0	35	-1.0	-48.85	292.02	6.36	-42.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL250004626495	1	35	-1.0	-48.78	292.16	6.35	-42.43
CSC1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626496	0	33	-1.0	-46.71	291.48	7.81	-38.90
CSC1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626496	1	33	-1.0	-46.79	291.34	7.83	-38.96
CC1=NC=C([N+](=O)[O-])N1CC(=O)N(C)C1=N[N-]N=N1	REAL250004626497	0	28	-1.0	-51.73	257.33	6.21	-45.52
CC1=NC=C([N+](=O)[O-])N1CC(=O)N(C)C1=NN=N[N-]1	REAL250004626497	1	28	-1.0	-51.83	257.20	6.23	-45.60
CN(C(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL250004626498	0	32	-1.0	-53.77	282.09	4.48	-49.29
CN(C(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL250004626498	1	32	-1.0	-53.72	282.22	4.49	-49.23
CN(C(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004626499	0	28	-1.0	-52.10	258.75	0.43	-51.67
CN(C(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004626499	1	28	-1.0	-52.05	258.88	0.43	-51.62
COC1=CC(C#N)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626500	0	28	-1.0	-50.51	254.06	5.23	-45.28
COC1=CC(C#N)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626500	1	28	-1.0	-50.43	254.20	5.22	-45.21
CN(C(=O)C1=C(Cl)SC(C=O)=C1)C1=N[N-]N=N1	REAL250004626501	0	22	-1.0	-48.27	232.08	4.31	-43.96
CN(C(=O)C1=C(Cl)SC(C=O)=C1)C1=NN=N[N-]1	REAL250004626501	1	22	-1.0	-48.29	231.94	4.34	-43.95
COC1=CC(=O)NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626502	0	27	-1.0	-49.53	244.64	1.49	-48.04
COC1=CC(=O)NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626502	1	27	-1.0	-49.42	244.79	1.47	-47.95
CN(C(=O)C1=NN2CCCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626503	0	32	-1.0	-51.48	270.83	4.83	-46.65
CN(C(=O)C1=NN2CCCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626503	1	32	-1.0	-51.52	270.69	4.84	-46.68
CCCCS(=O)(=O)CC(=O)N(C)C1=N[N-]N=N1	REAL250004626504	0	31	-1.0	-64.54	275.85	2.47	-62.07
CCCCS(=O)(=O)CC(=O)N(C)C1=NN=N[N-]1	REAL250004626504	1	31	-1.0	-64.61	275.72	2.50	-62.11
CN(C(=O)COC1CCCCCC1)C1=N[N-]N=N1	REAL250004626505	0	36	-1.0	-49.43	278.69	6.43	-43.00
CN(C(=O)COC1CCCCCC1)C1=NN=N[N-]1	REAL250004626505	1	36	-1.0	-49.50	278.55	6.46	-43.04
CN(C(=O)C1=CC=CC2=C1CCCCC2)C1=NN=N[N-]1	REAL250004626506	0	36	-1.0	-49.92	276.42	7.78	-42.14
CN(C(=O)C1=CC=CC2=C1CCCCC2)C1=N[N-]N=N1	REAL250004626506	1	36	-1.0	-49.83	276.55	7.77	-42.06
COC1(C(=O)N(C)C2=N[N-]N=N2)CCCCCC1	REAL250004626507	0	36	-1.0	-44.51	258.31	5.15	-39.36
COC1(C(=O)N(C)C2=NN=N[N-]2)CCCCCC1	REAL250004626507	1	36	-1.0	-44.58	258.17	5.15	-39.43
CC(=O)NC(C)(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004626508	0	35	-1.0	-43.38	262.15	3.79	-39.59
CC(=O)NC(C)(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004626508	1	35	-1.0	-43.43	262.02	3.80	-39.63
CN(C(=O)C1=CC=CC=C1C1CCC1)C1=NN=N[N-]1	REAL250004626509	0	33	-1.0	-50.37	266.65	7.51	-42.86
CN(C(=O)C1=CC=CC=C1C1CCC1)C1=N[N-]N=N1	REAL250004626509	1	33	-1.0	-50.28	266.79	7.49	-42.79
CN(C(=O)C1=CC=CC=C1N1C=CC=C1)C1=NN=N[N-]1	REAL250004626510	0	31	-1.0	-53.15	269.04	7.97	-45.18
CN(C(=O)C1=CC=CC=C1N1C=CC=C1)C1=N[N-]N=N1	REAL250004626510	1	31	-1.0	-53.06	269.18	7.96	-45.10
CCOC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004626511	0	36	-1.0	-58.71	305.25	7.56	-51.15
CCOC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004626511	1	36	-1.0	-58.61	305.39	7.54	-51.07
CN(C(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626512	0	35	-1.0	-33.40	270.91	6.75	-26.65
CN(C(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626512	1	35	-1.0	-33.44	270.74	6.75	-26.69
CN(C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL250004626514	0	33	-1.0	-47.05	269.42	7.40	-39.65
CN(C(=O)C1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL250004626514	1	33	-1.0	-47.01	269.56	7.42	-39.59
CC(C)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626515	0	32	-1.0	-45.97	273.79	6.66	-39.31
CC(C)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626515	1	32	-1.0	-46.07	273.64	6.69	-39.38
CN(C(=O)CCC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004626516	0	37	-1.0	-47.52	304.97	7.41	-40.11
CN(C(=O)CCC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004626516	1	37	-1.0	-47.61	304.83	7.44	-40.17
CC1=NN(C2=CC=CC=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626517	0	33	-1.0	-48.59	279.07	6.54	-42.05
CC1=NN(C2=CC=CC=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626517	1	33	-1.0	-48.55	279.20	6.53	-42.02
CN(C(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL250004626518	0	33	-1.0	-55.95	285.37	6.59	-49.36
CN(C(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL250004626518	1	33	-1.0	-55.86	285.51	6.58	-49.28
CN(C(=O)C1=CC=C(OC2CC2)C=C1)C1=NN=N[N-]1	REAL250004626519	0	31	-1.0	-46.96	264.04	5.91	-41.05
CN(C(=O)C1=CC=C(OC2CC2)C=C1)C1=N[N-]N=N1	REAL250004626519	1	31	-1.0	-46.90	264.19	5.89	-41.01
CN(C(=O)C1=NC=CC2=NC=NC=C21)C1=NN=N[N-]1	REAL250004626520	0	26	-1.0	-45.53	239.54	3.30	-42.23
CN(C(=O)C1=NC=CC2=NC=NC=C21)C1=N[N-]N=N1	REAL250004626520	1	26	-1.0	-45.46	239.68	3.29	-42.17
CN(C(=O)C(F)(F)C1(O)CCCCCC1)C1=N[N-]N=N1	REAL250004626521	0	36	-1.0	-41.75	273.37	4.86	-36.89
CN(C(=O)C(F)(F)C1(O)CCCCCC1)C1=NN=N[N-]1	REAL250004626521	1	36	-1.0	-41.82	273.24	4.89	-36.93
CN(C(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NN=N[N-]1	REAL250004626522	0	32	-1.0	-51.30	271.42	6.61	-44.69
CN(C(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=N[N-]N=N1	REAL250004626522	1	32	-1.0	-51.23	271.56	6.64	-44.59
CN(C(=O)C1(O)CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004626523	0	34	-1.0	-44.97	280.83	4.57	-40.40
CN(C(=O)C1(O)CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004626523	1	34	-1.0	-45.05	280.70	4.59	-40.46
CN(C(=O)CCC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL250004626524	0	32	-1.0	-47.55	278.15	5.38	-42.17
CN(C(=O)CCC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL250004626524	1	32	-1.0	-47.58	278.02	5.40	-42.18
CN(C(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004626525	0	22	-1.0	-39.96	225.90	4.03	-35.93
CN(C(=O)C(O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL250004626526	0	32	-1.0	-46.67	246.89	-0.88	-47.55
CN(C(=O)C(O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL250004626526	1	32	-1.0	-46.72	246.76	-0.88	-47.60
COC1=C(Cl)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626527	0	27	-1.0	-50.37	253.26	5.45	-44.92
COC1=C(Cl)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626527	1	27	-1.0	-50.29	253.39	5.44	-44.85
CC1=CC=CC(NC(=O)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626528	0	30	-1.0	-40.43	261.14	4.28	-36.15
CC1=CC=CC(NC(=O)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626528	1	30	-1.0	-40.36	261.27	4.28	-36.08
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C(C)C)N1	REAL250004626529	0	39	-1.0	-50.37	312.02	6.65	-43.72
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C(C)C)N1	REAL250004626529	1	39	-1.0	-50.32	312.17	6.64	-43.68
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2CCCCN12	REAL250004626530	0	33	-1.0	-53.15	268.55	6.52	-46.63
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2CCCCN12	REAL250004626530	1	33	-1.0	-53.00	268.76	6.52	-46.48
CN(C(=O)C1=CC(C#N)=C2CCCCN12)C1=NN=N[N-]1	REAL250004626531	0	32	-1.0	-45.76	268.48	6.48	-39.28
CN(C(=O)C1=CC(C#N)=C2CCCCN12)C1=N[N-]N=N1	REAL250004626531	1	32	-1.0	-45.66	268.62	6.46	-39.20
CN(C(=O)CC1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL250004626532	0	26	-1.0	-48.71	247.51	4.00	-44.71
CN(C(=O)CC1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL250004626532	1	26	-1.0	-48.75	247.37	4.04	-44.71
CN(C(=O)C1CCC2=NNC(=O)N2C1)C1=N[N-]N=N1	REAL250004626533	0	30	-1.0	-38.98	250.11	3.12	-35.86
CN(C(=O)C1CCC2=NNC(=O)N2C1)C1=NN=N[N-]1	REAL250004626533	1	30	-1.0	-39.36	248.63	3.11	-36.25
CC1=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C(C(F)(F)F)O1	REAL250004626534	0	29	-1.0	-47.46	272.92	5.78	-41.68
CC1=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C(C(F)(F)F)O1	REAL250004626534	1	29	-1.0	-47.51	272.78	5.80	-41.71
CC1=CC(C(=O)C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004626535	0	28	-1.0	-39.33	249.44	5.89	-33.44
CC1=CC(C(=O)C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004626535	1	28	-1.0	-39.26	249.56	5.87	-33.39
COC1=CN(CC(=O)N(C)C2=N[N-]N=N2)C(C)=CC1=O	REAL250004626536	0	33	-1.0	-61.06	282.09	5.37	-55.69
COC1=CN(CC(=O)N(C)C2=NN=N[N-]2)C(C)=CC1=O	REAL250004626536	1	33	-1.0	-61.14	281.95	5.40	-55.74
CN(C(=O)C(CC1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL250004626537	0	36	-1.0	-45.91	288.07	8.16	-37.75
CN(C(=O)C(CC1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL250004626537	1	36	-1.0	-45.92	287.93	8.17	-37.75
CN(C(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004626538	0	28	-1.0	-50.21	264.38	4.96	-45.25
CN(C(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004626538	1	28	-1.0	-50.12	264.52	4.94	-45.18
CN(C(=O)CN1N=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626539	0	33	-1.0	-52.93	282.47	6.40	-46.53
CN(C(=O)CN1N=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626539	1	33	-1.0	-52.86	282.61	6.37	-46.49
CN(C(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=N[N-]N=N1	REAL250004626540	0	37	-1.0	-33.39	280.35	7.82	-25.57
CN(C(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=NN=N[N-]1	REAL250004626540	1	37	-1.0	-33.45	280.28	7.84	-25.61
CN(C(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=NN=N[N-]1	REAL250004626541	0	29	-1.0	-48.51	262.69	4.78	-43.73
CN(C(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=N[N-]N=N1	REAL250004626541	1	29	-1.0	-48.40	262.83	4.76	-43.64
CC1=CC=C(OCCC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004626542	0	33	-1.0	-45.52	297.17	6.83	-38.69
CC1=CC=C(OCCC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004626542	1	33	-1.0	-45.57	297.03	6.86	-38.71
CN(C(=O)C1=CC=CN=C1OCCO)C1=NN=N[N-]1	REAL250004626543	0	30	-1.0	-57.06	264.05	0.11	-56.95
CN(C(=O)C1=CC=CN=C1OCCO)C1=N[N-]N=N1	REAL250004626543	1	30	-1.0	-56.98	264.19	0.10	-56.88
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004626544	0	25	-1.0	-40.15	249.10	5.18	-34.97
CN(C(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004626544	1	25	-1.0	-40.21	248.97	5.17	-35.04
CN(C(=O)C1=C(O)C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626545	0	30	-1.0	-53.29	264.99	4.51	-48.78
CN(C(=O)C1=C(O)C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626545	1	30	-1.0	-53.20	265.13	4.49	-48.71
CN(C(=O)CCC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL250004626546	0	33	-1.0	-48.86	284.07	4.10	-44.76
CN(C(=O)CCC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL250004626546	1	33	-1.0	-48.93	283.94	4.14	-44.79
CN(C(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=NN=N[N-]1	REAL250004626547	0	31	-1.0	-53.71	277.42	4.09	-49.62
CN(C(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=N[N-]N=N1	REAL250004626547	1	31	-1.0	-53.65	277.56	4.08	-49.57
CN(C(=O)C1=C(Br)C=NS1)C1=NN=N[N-]1	REAL250004626548	0	19	-1.0	-41.85	206.20	3.16	-38.69
CN(C(=O)C1=C(Br)C=NS1)C1=N[N-]N=N1	REAL250004626548	1	19	-1.0	-41.79	206.34	3.14	-38.65
CN(C(=O)C1=CN=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL250004626549	0	22	-1.0	-41.87	230.39	4.05	-37.82
CN(C(=O)C1=CN=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL250004626549	1	22	-1.0	-41.85	230.53	4.05	-37.80
CC1=CN=C2C(=C1)C=NN2CC(=O)N(C)C1=NN=N[N-]1	REAL250004626550	0	31	-1.0	-56.30	274.74	5.37	-50.93
CC1=CN=C2C(=C1)C=NN2CC(=O)N(C)C1=N[N-]N=N1	REAL250004626550	1	31	-1.0	-56.20	274.87	5.35	-50.85
CN(C(=O)C1=CN(CC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL250004626551	0	37	-1.0	-49.38	299.55	4.85	-44.53
CN(C(=O)C1=CN(CC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL250004626551	1	37	-1.0	-49.32	299.70	4.82	-44.50
CN(C(=O)C1=CSC2=C1CCCCCC2)C1=N[N-]N=N1	REAL250004626552	0	36	-1.0	-48.37	280.10	7.46	-40.91
CN(C(=O)C1=CSC2=C1CCCCCC2)C1=NN=N[N-]1	REAL250004626552	1	36	-1.0	-48.46	279.96	7.48	-40.98
CN(C(=O)C1=CSC2=C1CCC(C)(C)C2)C1=N[N-]N=N1	REAL250004626553	0	36	-1.0	-48.14	290.38	7.51	-40.63
CN(C(=O)C1=CSC2=C1CCC(C)(C)C2)C1=NN=N[N-]1	REAL250004626553	1	36	-1.0	-48.31	290.06	7.53	-40.78
CCC(C(=O)N(C)C1=N[N-]N=N1)C1(O)CCCCC1	REAL250004626554	0	39	-1.0	-34.65	275.90	5.65	-29.00
CCC(C(=O)N(C)C1=NN=N[N-]1)C1(O)CCCCC1	REAL250004626554	1	39	-1.0	-34.71	275.74	5.65	-29.06
COC(=O)C1=C(C)NN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626555	0	29	-1.0	-55.42	262.90	3.38	-52.04
COC(=O)C1=C(C)NN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626555	1	29	-1.0	-55.34	263.04	3.37	-51.97
C#CC1=CC=CC(NC(=O)CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626556	0	32	-1.0	-65.68	288.52	6.78	-58.90
C#CC1=CC=CC(NC(=O)CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626556	1	32	-1.0	-65.75	288.39	6.80	-58.95
CN(C(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626557	0	30	-1.0	-42.81	265.06	4.12	-38.69
CN(C(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626557	1	30	-1.0	-42.91	264.93	4.15	-38.76
CN(C(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL250004626558	0	39	-1.0	-47.18	313.06	7.32	-39.86
CN(C(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL250004626558	1	39	-1.0	-47.20	312.93	7.33	-39.87
CC1=CC=CN2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004626559	0	29	-1.0	-51.41	254.15	5.89	-45.52
CC1=CC=CN2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004626559	1	29	-1.0	-51.33	254.29	5.88	-45.45
CN(C(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626560	0	31	-1.0	-53.72	262.58	3.38	-50.34
CN(C(=O)C1=CC=C2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626560	1	31	-1.0	-53.64	262.71	3.40	-50.24
CN(C(=O)C1=CN=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL250004626561	0	28	-1.0	-45.49	247.00	2.98	-42.51
CN(C(=O)C1=CN=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL250004626561	1	28	-1.0	-45.47	247.13	2.97	-42.50
CC1=CC2=CC=NC=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626562	0	31	-1.0	-52.99	264.63	6.05	-46.94
CC1=CC2=CC=NC=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626562	1	31	-1.0	-52.89	264.77	6.03	-46.86
CN(C(=O)CCOCCOC(C)(C)C)C1=N[N-]N=N1	REAL250004626563	0	39	-1.0	-46.48	315.17	4.40	-42.08
CN(C(=O)CCOCCOC(C)(C)C)C1=NN=N[N-]1	REAL250004626563	1	39	-1.0	-46.58	315.03	4.43	-42.15
COC(=O)C1=CC(CCC(=O)N(C)C2=N[N-]N=N2)=CN1	REAL250004626564	0	33	-1.0	-52.06	292.92	5.20	-46.86
COC(=O)C1=CC(CCC(=O)N(C)C2=NN=N[N-]2)=CN1	REAL250004626564	1	33	-1.0	-52.15	292.79	5.22	-46.93
CN(C(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004626565	0	33	-1.0	-51.69	284.86	7.47	-44.22
CN(C(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004626565	1	33	-1.0	-51.61	285.00	7.44	-44.17
CN(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=CSC=N1	REAL250004626566	0	30	-1.0	-48.68	258.39	2.07	-46.61
CN(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CSC=N1	REAL250004626566	1	30	-1.0	-48.70	258.25	2.10	-46.60
CN(C(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004626567	0	31	-1.0	-50.38	262.85	4.10	-46.28
CN(C(=O)C1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004626567	1	31	-1.0	-50.32	262.97	4.12	-46.20
CC1=CC=CN2C(CC(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004626568	0	32	-1.0	-55.18	277.80	6.94	-48.24
CC1=CC=CN2C(CC(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004626568	1	32	-1.0	-55.27	277.67	6.98	-48.29
CN(C(=O)COC1(C)CCOCC1)C1=N[N-]N=N1	REAL250004626569	0	34	-1.0	-50.80	269.62	3.99	-46.81
CN(C(=O)COC1(C)CCOCC1)C1=NN=N[N-]1	REAL250004626569	1	34	-1.0	-50.88	269.49	4.02	-46.86
CN(C(=O)C1=C(CO)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004626570	0	30	-1.0	-48.03	262.55	3.16	-44.87
CN(C(=O)C1=C(CO)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004626570	1	30	-1.0	-47.93	262.69	3.14	-44.79
CN(C(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL250004626571	0	32	-1.0	-58.37	290.55	3.50	-54.87
CN(C(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL250004626571	1	32	-1.0	-58.45	290.42	3.52	-54.93
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004626572	0	33	-1.0	-50.70	294.18	7.71	-42.99
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004626572	1	33	-1.0	-50.65	294.32	7.68	-42.97
CC(=O)N[C@@H](C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004626573	0	35	-1.0	-43.34	270.69	3.31	-40.03
CC(=O)N[C@@H](C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004626573	1	35	-1.0	-43.39	270.55	3.33	-40.06
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CCCCC2)=NO1	REAL250004626574	0	38	-1.0	-43.34	312.74	7.33	-36.01
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004626574	1	38	-1.0	-43.41	312.59	7.34	-36.07
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004626575	0	35	-1.0	-43.18	294.69	6.71	-36.47
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004626575	1	35	-1.0	-43.23	294.54	6.72	-36.51
CN(C(=O)C1(C2=CN(C)N=C2)CCCO1)C1=NN=N[N-]1	REAL250004626576	0	34	-1.0	-51.18	280.14	4.11	-47.07
CN(C(=O)C1(C2=CN(C)N=C2)CCCO1)C1=N[N-]N=N1	REAL250004626576	1	34	-1.0	-51.13	280.28	4.10	-47.03
CN(C(=O)CC1=CC=C2OC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004626577	0	29	-1.0	-51.51	261.66	3.47	-48.04
CN(C(=O)CC1=CC=C2OC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004626577	1	29	-1.0	-51.63	261.52	3.51	-48.12
C=CCCCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626578	0	36	-1.0	-48.22	300.32	8.46	-39.76
C=CCCCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626578	1	36	-1.0	-48.09	300.46	8.47	-39.62
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL250004626579	0	33	-1.0	-54.05	262.79	6.53	-47.52
CN(C(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL250004626579	1	33	-1.0	-54.13	262.66	6.55	-47.58
CN(C(=O)CSC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004626581	0	26	-1.0	-47.93	246.33	4.91	-43.02
CN(C(=O)CSC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004626581	1	26	-1.0	-47.84	246.47	4.88	-42.96
CN(C(=O)C1=CC=C(C2(O)COC2)C=C1)C1=NN=N[N-]1	REAL250004626583	0	32	-1.0	-47.56	268.17	2.04	-45.52
CN(C(=O)C1=CC=C(C2(O)COC2)C=C1)C1=N[N-]N=N1	REAL250004626583	1	32	-1.0	-47.51	268.31	2.06	-45.45
CN(C(=O)C1=NN(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004626584	0	23	-1.0	-46.45	238.87	4.27	-42.18
CN(C(=O)C1=NN(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004626584	1	23	-1.0	-46.39	239.01	4.26	-42.13
CN(C(=O)CC(C(F)F)N1CCOCC1)C1=N[N-]N=N1	REAL250004626585	0	35	-1.0	-46.30	278.20	2.49	-43.81
CN(C(=O)CC(C(F)F)N1CCOCC1)C1=NN=N[N-]1	REAL250004626585	1	35	-1.0	-46.38	278.07	2.51	-43.87
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CN=C2)N1	REAL250004626586	0	32	-1.0	-49.69	277.55	5.12	-44.57
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CN=C2)N1	REAL250004626586	1	32	-1.0	-49.57	277.74	5.09	-44.48
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C2=CC=CN=C2)=N1	REAL250004626586	1	32	-1.0	-46.10	275.32	4.86	-41.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C2=CC=CN=C2)=N1	REAL250004626586	1	32	-1.0	-46.00	275.47	4.86	-41.14
CC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=N1	REAL250004626587	0	31	-1.0	-46.75	275.08	5.55	-41.20
CC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=N1	REAL250004626587	1	31	-1.0	-46.70	275.22	5.52	-41.18
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL250004626588	0	27	-1.0	-42.35	246.79	2.54	-39.81
CN(C(=O)C1=CC=NC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL250004626588	1	27	-1.0	-42.25	246.93	2.55	-39.70
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004626589	0	34	-1.0	-48.42	288.49	6.67	-41.75
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004626589	1	34	-1.0	-48.39	288.62	6.67	-41.72
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004626590	0	36	-1.0	-42.35	276.62	6.21	-36.14
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004626590	1	36	-1.0	-42.43	276.49	6.22	-36.21
CN(C(=O)C1(C2CCCO2)CCCO1)C1=N[N-]N=N1	REAL250004626591	0	35	-1.0	-46.77	267.49	4.29	-42.48
CN(C(=O)C1(C2CCCO2)CCCO1)C1=NN=N[N-]1	REAL250004626591	1	35	-1.0	-46.83	267.36	4.30	-42.53
CN(C(=O)C=CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004626592	0	27	-1.0	-49.88	250.83	6.58	-43.30
CN(C(=O)C=CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004626592	1	27	-1.0	-49.95	250.69	6.58	-43.37
CN(C(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL250004626593	0	27	-1.0	-45.70	248.78	4.58	-41.12
CN(C(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL250004626593	1	27	-1.0	-45.76	248.66	4.56	-41.20
CN(C(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NN=N[N-]1	REAL250004626594	0	36	-1.0	-54.61	283.87	6.76	-47.85
CN(C(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=N[N-]N=N1	REAL250004626594	1	36	-1.0	-54.56	284.00	6.73	-47.83
COCC1(CC(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004626595	0	36	-1.0	-46.21	279.57	5.22	-40.99
COCC1(CC(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004626595	1	36	-1.0	-46.31	279.43	5.24	-41.07
CN(C(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NN=N[N-]1	REAL250004626596	0	34	-1.0	-46.65	285.68	5.83	-40.82
CN(C(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=N[N-]N=N1	REAL250004626596	1	34	-1.0	-46.56	285.83	5.84	-40.72
CN(C(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NN=N[N-]1	REAL250004626597	0	33	-1.0	-55.68	282.76	6.60	-49.08
CN(C(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=N[N-]N=N1	REAL250004626597	1	33	-1.0	-55.62	282.90	6.60	-49.02
CN(C(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL250004626598	0	29	-1.0	-51.16	263.69	1.47	-49.69
CN(C(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL250004626598	1	29	-1.0	-51.05	263.83	1.47	-49.58
CN(C(=O)C1=CC=CC(CCl)=C1)C1=NN=N[N-]1	REAL250004626599	0	26	-1.0	-49.37	241.53	6.19	-43.18
CN(C(=O)C1=CC=CC(CCl)=C1)C1=N[N-]N=N1	REAL250004626599	1	26	-1.0	-49.30	241.66	6.21	-43.09
CN(C(=O)C1(C2=CC=CC=C2)CCCCO1)C1=NN=N[N-]1	REAL250004626600	0	37	-1.0	-46.57	279.14	6.59	-39.98
CN(C(=O)C1(C2=CC=CC=C2)CCCCO1)C1=N[N-]N=N1	REAL250004626600	1	37	-1.0	-46.48	279.28	6.58	-39.90
CN(C(=O)C1=CC(C2CCOCC2)=NN1C)C1=N[N-]N=N1	REAL250004626601	0	37	-1.0	-43.67	295.07	4.08	-39.59
CN(C(=O)C1=CC(C2CCOCC2)=NN1C)C1=NN=N[N-]1	REAL250004626601	1	37	-1.0	-43.70	294.93	4.08	-39.62
CN(C(=O)C1=NN2C=CNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626602	0	26	-1.0	-56.45	238.12	2.27	-54.18
CN(C(=O)C1=NN2C=CNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626602	1	26	-1.0	-56.39	238.26	2.26	-54.13
COC(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004626603	0	31	-1.0	-45.96	266.38	4.31	-41.65
COC(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004626603	1	31	-1.0	-45.88	266.51	4.29	-41.59
CC(=O)NC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004626604	0	36	-1.0	-36.86	281.86	4.36	-32.50
CC(=O)NC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004626604	1	36	-1.0	-36.91	281.73	4.38	-32.53
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004626605	0	32	-1.0	-45.76	269.73	3.95	-41.81
CN(C)C(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004626605	1	32	-1.0	-45.69	269.87	3.94	-41.75
CC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL250004626606	0	31	-1.0	-44.55	267.31	6.31	-38.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL250004626606	1	31	-1.0	-44.50	267.44	6.30	-38.20
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC(F)F	REAL250004626607	0	30	-1.0	-53.53	262.41	5.24	-48.29
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC(F)F	REAL250004626607	1	30	-1.0	-53.61	262.27	5.23	-48.38
CN(C(=O)C1CCC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL250004626608	0	28	-1.0	-48.97	247.15	2.28	-46.69
CN(C(=O)C1CCC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL250004626608	1	28	-1.0	-49.08	247.02	2.31	-46.77
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004626609	0	32	-1.0	-46.66	274.39	7.61	-39.05
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004626609	1	32	-1.0	-46.55	274.53	7.58	-38.97
C[C@H](CC1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626610	0	38	-1.0	-46.84	282.87	7.19	-39.65
C[C@H](CC1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626610	1	38	-1.0	-46.94	282.73	7.21	-39.73
CC1=CC(COCC(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004626611	0	29	-1.0	-51.53	260.52	4.51	-47.02
CC1=CC(COCC(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004626611	1	29	-1.0	-51.61	260.38	4.53	-47.08
CC1=CC=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004626612	0	31	-1.0	-46.59	263.52	6.03	-40.56
CC1=CC=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004626612	1	31	-1.0	-46.52	263.66	6.03	-40.49
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004626613	0	34	-1.0	-48.91	285.85	6.30	-42.61
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004626613	1	34	-1.0	-49.01	285.71	6.30	-42.71
CC(C)C1CCC(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626614	0	36	-1.0	-51.64	281.56	3.46	-48.18
CC(C)C1CCC(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626614	1	36	-1.0	-51.66	281.43	3.49	-48.17
CN(C(=O)CNC1=NC=NC(Cl)=C1N)C1=NN=N[N-]1	REAL250004626615	0	28	-1.0	-43.50	261.11	2.05	-41.45
CN(C(=O)CNC1=NC=NC(Cl)=C1N)C1=N[N-]N=N1	REAL250004626615	1	28	-1.0	-43.38	261.25	2.03	-41.35
CC1=C(C(F)(F)F)NN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626616	0	26	-1.0	-43.00	242.88	3.64	-39.36
CC1=C(C(F)(F)F)NN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626616	1	26	-1.0	-43.11	242.74	3.67	-39.44
CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004626617	0	37	-1.0	-47.79	301.68	0.44	-47.35
CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004626617	1	37	-1.0	-47.87	301.54	0.46	-47.41
CN(C(=O)C1=CC=NC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL250004626618	0	29	-1.0	-55.54	253.44	4.79	-50.75
CN(C(=O)C1=CC=NC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL250004626618	1	29	-1.0	-55.43	253.59	4.77	-50.66
CN(C(=O)C1=CSC(C2=CNC=N2)=N1)C1=NN=N[N-]1	REAL250004626619	0	26	-1.0	-56.71	250.64	4.28	-52.43
CN(C(=O)C1=CSC(C2=CNC=N2)=N1)C1=N[N-]N=N1	REAL250004626619	1	26	-1.0	-56.64	250.78	4.26	-52.38
CN(C(=O)C1(S(N)(=O)=O)CCC1)C1=N[N-]N=N1	REAL250004626620	0	28	-1.0	-44.94	239.45	-1.03	-45.97
CN(C(=O)C1(S(N)(=O)=O)CCC1)C1=NN=N[N-]1	REAL250004626620	1	28	-1.0	-45.01	239.31	-1.00	-46.01
CN(C(=O)CC1=NC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL250004626621	0	25	-1.0	-49.90	255.60	4.12	-45.78
CN(C(=O)CC1=NC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL250004626621	1	25	-1.0	-50.02	255.46	4.15	-45.87
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004626622	0	32	-1.0	-45.92	276.97	6.27	-39.65
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004626622	1	32	-1.0	-45.81	277.11	6.26	-39.55
COC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004626623	0	29	-1.0	-46.36	274.01	6.09	-40.27
COC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004626623	1	29	-1.0	-46.47	273.88	6.08	-40.39
CC1=CC(Cl)=CC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626624	0	29	-1.0	-44.84	264.76	6.70	-38.14
CC1=CC(Cl)=CC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626624	1	29	-1.0	-44.76	264.90	6.69	-38.07
CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004626625	0	36	-1.0	-48.69	281.62	3.97	-44.72
CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004626625	1	36	-1.0	-48.79	281.49	4.01	-44.78
CN(C(=O)C1CC2(C1)CC1(CCC1)C2)C1=N[N-]N=N1	REAL250004626626	0	37	-1.0	-46.61	292.75	7.90	-38.71
CN(C(=O)C1CC2(C1)CC1(CCC1)C2)C1=NN=N[N-]1	REAL250004626626	1	37	-1.0	-46.66	292.62	7.92	-38.74
CN(C(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=NN=N[N-]1	REAL250004626627	0	32	-1.0	-46.60	279.80	6.53	-40.07
CN(C(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=N[N-]N=N1	REAL250004626627	1	32	-1.0	-46.56	279.94	6.52	-40.04
CN(C(=O)CON=C1CCCCCC1)C1=N[N-]N=N1	REAL250004626628	0	36	-1.0	-50.18	288.74	6.64	-43.54
CN(C(=O)CON=C1CCCCCC1)C1=NN=N[N-]1	REAL250004626628	1	36	-1.0	-50.27	288.60	6.67	-43.60
COC(=O)C1(C)CC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626629	0	32	-1.0	-54.31	268.69	5.33	-48.98
COC(=O)C1(C)CC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626629	1	32	-1.0	-54.40	268.55	5.35	-49.05
CN(C(=O)C1=C2SC=CC2=NC=C1)C1=NN=N[N-]1	REAL250004626630	0	25	-1.0	-48.56	236.04	4.47	-44.09
CN(C(=O)C1=C2SC=CC2=NC=C1)C1=N[N-]N=N1	REAL250004626630	1	25	-1.0	-48.47	236.17	4.47	-44.00
CN(C(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=NN=N[N-]1	REAL250004626631	0	33	-1.0	-49.65	276.76	4.09	-45.56
CN(C(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=N[N-]N=N1	REAL250004626631	1	33	-1.0	-49.61	276.90	4.08	-45.53
CC(C)N1C=NN=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004626632	0	31	-1.0	-55.35	265.74	6.12	-49.23
CC(C)N1C=NN=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004626632	1	31	-1.0	-55.43	265.61	6.16	-49.27
CN(C(=O)C1(C(C)(F)F)CCOCC1)C1=N[N-]N=N1	REAL250004626633	0	33	-1.0	-43.94	250.11	3.70	-40.24
CN(C(=O)C1(C(C)(F)F)CCOCC1)C1=NN=N[N-]1	REAL250004626633	1	33	-1.0	-43.99	249.97	3.69	-40.30
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL250004626634	0	31	-1.0	-44.20	271.54	3.08	-41.12
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL250004626634	1	31	-1.0	-44.16	271.68	3.07	-41.09
CN(C(=O)C1(C2CCCO2)CCC1)C1=N[N-]N=N1	REAL250004626635	0	34	-1.0	-51.17	259.78	5.00	-46.17
CN(C(=O)C1(C2CCCO2)CCC1)C1=NN=N[N-]1	REAL250004626635	1	34	-1.0	-51.24	259.64	5.00	-46.24
CN(C(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=N[N-]N=N1	REAL250004626636	0	34	-1.0	-51.34	258.87	2.41	-48.93
CN(C(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=NN=N[N-]1	REAL250004626636	1	34	-1.0	-51.45	258.73	2.43	-49.02
CN(C(=O)C1(C2CCCCO2)CCCO1)C1=N[N-]N=N1	REAL250004626637	0	38	-1.0	-52.73	279.67	4.85	-47.88
CN(C(=O)C1(C2CCCCO2)CCCO1)C1=NN=N[N-]1	REAL250004626637	1	38	-1.0	-52.79	279.53	4.88	-47.91
CN(C(=O)C1=C(S(C)(=O)=O)SC=C1)C1=N[N-]N=N1	REAL250004626638	0	26	-1.0	-54.14	250.32	2.42	-51.72
CN(C(=O)C1=C(S(C)(=O)=O)SC=C1)C1=NN=N[N-]1	REAL250004626638	1	26	-1.0	-54.20	250.18	2.43	-51.77
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004626639	0	29	-1.0	-44.84	274.73	6.10	-38.74
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004626639	1	29	-1.0	-44.75	274.88	6.07	-38.68
CN(C(=O)C1=CC=C(C2CCC2)N=C1)C1=NN=N[N-]1	REAL250004626640	0	32	-1.0	-44.86	264.12	5.60	-39.26
CN(C(=O)C1=CC=C(C2CCC2)N=C1)C1=N[N-]N=N1	REAL250004626640	1	32	-1.0	-44.78	264.28	5.60	-39.18
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=N1	REAL250004626641	0	26	-1.0	-43.26	242.25	5.35	-37.91
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=N1	REAL250004626641	1	26	-1.0	-43.18	242.40	5.35	-37.83
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004626642	0	32	-1.0	-31.76	275.97	7.57	-24.19
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004626642	1	32	-1.0	-31.81	275.85	7.59	-24.22
CN(C(=O)C(O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004626643	0	27	-1.0	-44.69	244.98	4.06	-40.63
CN(C(=O)C(O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004626643	1	27	-1.0	-44.74	244.84	4.08	-40.66
CC1=CC=C2SC(C(=O)N(C)C3=N[N-]N=N3)CC2=C1	REAL250004626644	0	31	-1.0	-47.64	273.59	7.44	-40.20
CC1=CC=C2SC(C(=O)N(C)C3=NN=N[N-]3)CC2=C1	REAL250004626644	1	31	-1.0	-47.72	273.46	7.45	-40.27
CN(C(=O)CC1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL250004626645	0	36	-1.0	-47.81	295.63	8.55	-39.26
CN(C(=O)CC1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL250004626645	1	36	-1.0	-47.88	295.49	8.59	-39.29
CN(C(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004626646	0	31	-1.0	-45.72	270.97	7.13	-38.59
CN(C(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004626646	1	31	-1.0	-45.66	271.11	7.12	-38.54
CN(C(=O)C1=CC2=C(O)C=CC=C2C=C1)C1=NN=N[N-]1	REAL250004626647	0	30	-1.0	-50.05	259.24	4.41	-45.64
CN(C(=O)C1=CC2=C(O)C=CC=C2C=C1)C1=N[N-]N=N1	REAL250004626647	1	30	-1.0	-49.98	259.38	4.41	-45.57
CC1=CC(C2CC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626648	0	32	-1.0	-45.11	267.19	5.79	-39.32
CC1=CC(C2CC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626648	1	32	-1.0	-45.04	267.32	5.79	-39.25
CN(C(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004626649	0	30	-1.0	-54.14	256.46	1.97	-52.17
CN(C(=O)C1=CC=C2CNC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004626649	1	30	-1.0	-54.11	256.60	1.97	-52.14
CN(C(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NN=N[N-]1	REAL250004626650	0	36	-1.0	-52.88	289.36	6.91	-45.97
CN(C(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=N[N-]N=N1	REAL250004626650	1	36	-1.0	-52.80	289.49	6.88	-45.92
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL250004626651	0	40	-1.0	-42.88	315.35	3.97	-38.91
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL250004626651	1	40	-1.0	-42.95	315.22	4.01	-38.94
CC1=CC=C(C(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626652	0	35	-1.0	-46.14	286.11	7.88	-38.26
CC1=CC=C(C(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626652	1	35	-1.0	-46.21	285.97	7.90	-38.31
CN(C(=O)C(F)(F)C1=CN=CS1)C1=NN=N[N-]1	REAL250004626653	0	22	-1.0	-41.30	223.16	3.28	-38.02
CN(C(=O)C(F)(F)C1=CN=CS1)C1=N[N-]N=N1	REAL250004626653	1	22	-1.0	-41.26	223.30	3.25	-38.01
CN(C(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL250004626654	0	39	-1.0	-45.14	301.97	8.57	-36.57
CN(C(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL250004626654	1	39	-1.0	-45.22	301.82	8.60	-36.62
CC1=C(C)C2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)N2)O1	REAL250004626655	0	30	-1.0	-47.09	255.96	5.04	-42.05
CC1=C(C)C2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)N2)O1	REAL250004626655	1	30	-1.0	-47.00	256.11	5.01	-41.99
CC1=C(Cl)C=C2NC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004626656	0	30	-1.0	-43.61	269.46	6.62	-36.99
CC1=C(Cl)C=C2NC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004626656	1	30	-1.0	-43.53	269.61	6.60	-36.93
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)N(C)C2=C1	REAL250004626657	0	34	-1.0	-48.22	280.22	5.83	-42.39
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)N(C)C2=C1	REAL250004626657	1	34	-1.0	-48.11	280.36	5.80	-42.31
COCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004626658	0	29	-1.0	-58.86	263.81	1.09	-57.77
COCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004626658	1	29	-1.0	-58.59	264.16	1.18	-57.41
CN(C(=O)C1=C(CC(N)=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL250004626659	0	34	-1.0	-51.14	289.53	2.98	-48.16
CN(C(=O)C1=C(CC(N)=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL250004626659	1	34	-1.0	-51.06	289.67	2.97	-48.09
CN(C(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL250004626660	0	26	-1.0	-45.11	243.58	4.16	-40.95
CN(C(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL250004626660	1	26	-1.0	-45.01	243.73	4.15	-40.86
CN(C(=O)C1=CN(C2CC2(F)F)N=C1)C1=NN=N[N-]1	REAL250004626661	0	27	-1.0	-49.42	244.40	4.32	-45.10
CN(C(=O)C1=CN(C2CC2(F)F)N=C1)C1=N[N-]N=N1	REAL250004626661	1	27	-1.0	-49.36	244.54	4.29	-45.07
CN(C(=O)C1=C2C(=CC=C1)N=NN2C)C1=NN=N[N-]1	REAL250004626662	0	28	-1.0	-47.59	242.53	3.24	-44.35
CN(C(=O)C1=C2C(=CC=C1)N=NN2C)C1=N[N-]N=N1	REAL250004626662	1	28	-1.0	-47.50	242.67	3.23	-44.27
CC1=CC=C(C)C(C(C(=O)N(C)C2=N[N-]N=N2)C(C)C)=C1	REAL250004626663	0	41	-1.0	-49.03	319.20	8.62	-40.41
CC1=CC=C(C)C(C(C(=O)N(C)C2=NN=N[N-]2)C(C)C)=C1	REAL250004626663	1	41	-1.0	-49.12	319.06	8.64	-40.48
CN(C(=O)C1=CN=C(C2CCOC2)S1)C1=N[N-]N=N1	REAL250004626664	0	30	-1.0	-46.27	264.93	2.95	-43.32
CN(C(=O)C1=CN=C(C2CCOC2)S1)C1=NN=N[N-]1	REAL250004626664	1	30	-1.0	-46.34	264.79	2.96	-43.38
COC1=CN(C)C(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004626665	0	30	-1.0	-48.27	257.05	4.12	-44.15
COC1=CN(C)C(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004626665	1	30	-1.0	-48.21	257.17	4.11	-44.10
CN(C(=O)C1=COC2=C1C(=O)NCC2)C1=NN=N[N-]1	REAL250004626666	0	28	-1.0	-66.90	240.27	3.00	-63.90
CN(C(=O)C1=COC2=C1C(=O)NCC2)C1=N[N-]N=N1	REAL250004626666	1	28	-1.0	-66.84	240.41	2.99	-63.85
CN(C(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL250004626667	0	29	-1.0	-48.68	265.80	4.42	-44.26
CN(C(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL250004626667	1	29	-1.0	-48.60	265.94	4.40	-44.20
CN(C(=O)COCCC1=CC=CS1)C1=N[N-]N=N1	REAL250004626668	0	30	-1.0	-49.83	276.06	6.21	-43.62
CN(C(=O)COCCC1=CC=CS1)C1=NN=N[N-]1	REAL250004626668	1	30	-1.0	-49.93	275.93	6.24	-43.69
COC(C(=O)N(C)C1=N[N-]N=N1)C1CCCOC1	REAL250004626669	0	34	-1.0	-50.50	268.61	3.70	-46.80
COC(C(=O)N(C)C1=NN=N[N-]1)C1CCCOC1	REAL250004626669	1	34	-1.0	-50.60	268.47	3.72	-46.88
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=N[N-]N=N1	REAL250004626670	0	37	-1.0	-50.11	295.62	8.71	-41.40
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NN=N[N-]1	REAL250004626670	1	37	-1.0	-50.19	295.49	8.73	-41.46
CN(C(=O)C1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL250004626671	0	30	-1.0	-50.56	256.70	6.67	-43.89
CN(C(=O)C1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL250004626671	1	30	-1.0	-50.48	256.84	6.68	-43.80
CN(C(=O)C1=C(F)C=C2OC=CC2=C1)C1=NN=N[N-]1	REAL250004626672	0	26	-1.0	-50.82	233.92	5.30	-45.52
CN(C(=O)C1=C(F)C=C2OC=CC2=C1)C1=N[N-]N=N1	REAL250004626672	1	26	-1.0	-50.77	234.06	5.29	-45.48
CC(=O)N[C@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004626673	0	36	-1.0	-54.49	286.05	3.56	-50.93
CC(=O)N[C@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004626673	1	36	-1.0	-54.49	285.91	3.60	-50.89
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626674	0	33	-1.0	-48.05	278.38	7.96	-40.09
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626674	1	33	-1.0	-48.10	278.25	7.98	-40.12
CN(C(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL250004626675	0	36	-1.0	-52.40	313.98	7.66	-44.74
CN(C(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL250004626675	1	36	-1.0	-52.28	314.12	7.62	-44.66
CC1=C(C)C2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N=N1	REAL250004626676	0	33	-1.0	-47.02	274.38	5.24	-41.78
CC1=C(C)C2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N=N1	REAL250004626676	1	33	-1.0	-46.94	274.52	5.24	-41.70
CN(C(=O)C1CCCNS1(=O)=O)C1=N[N-]N=N1	REAL250004626677	0	28	-1.0	-54.46	245.33	-0.67	-55.13
CN(C(=O)C1CCCNS1(=O)=O)C1=NN=N[N-]1	REAL250004626677	1	28	-1.0	-54.49	245.20	-0.66	-55.15
CC1OC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C1C	REAL250004626678	0	34	-1.0	-46.89	276.35	6.04	-40.85
CC1OC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C1C	REAL250004626678	1	34	-1.0	-46.87	276.50	6.04	-40.83
CN(C(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL250004626679	0	29	-1.0	-45.01	261.38	4.68	-40.33
CN(C(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL250004626679	1	29	-1.0	-45.05	261.24	4.72	-40.33
COC1=CC=C2C(CC(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004626680	0	34	-1.0	-52.48	291.06	5.35	-47.13
COC1=CC=C2C(CC(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004626680	1	34	-1.0	-52.40	291.20	5.31	-47.09
CN(C(=O)C1=C2C(=CC=N1)C=CN2C)C1=NN=N[N-]1	REAL250004626681	0	29	-1.0	-50.58	253.00	4.89	-45.69
CN(C(=O)C1=C2C(=CC=N1)C=CN2C)C1=N[N-]N=N1	REAL250004626681	1	29	-1.0	-50.51	253.14	4.89	-45.62
CC1=CC=CC=C1C(C(=O)N(C)C1=N[N-]N=N1)C1CCCC1	REAL250004626682	0	42	-1.0	-48.73	319.47	9.20	-39.53
CC1=CC=CC=C1C(C(=O)N(C)C1=NN=N[N-]1)C1CCCC1	REAL250004626682	1	42	-1.0	-48.80	319.33	9.20	-39.60
CN(C(=O)CCC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL250004626683	0	36	-1.0	-46.48	293.90	5.51	-40.97
CN(C(=O)CCC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL250004626683	1	36	-1.0	-46.57	293.76	5.54	-41.03
CN(C(=O)C=CC1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL250004626684	0	27	-1.0	-46.68	256.57	5.77	-40.91
CN(C(=O)C=CC1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL250004626684	1	27	-1.0	-46.80	256.42	5.78	-41.02
CN(C(=O)CCC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL250004626685	0	28	-1.0	-47.08	262.83	5.45	-41.63
CN(C(=O)CCC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL250004626685	1	28	-1.0	-47.00	262.97	5.41	-41.59
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004626686	0	34	-1.0	-45.13	274.30	5.36	-39.77
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004626686	1	34	-1.0	-45.08	274.44	5.36	-39.72
CN(C(=O)C=C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL250004626687	0	33	-1.0	-45.84	276.98	6.99	-38.85
CN(C(=O)C=C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL250004626687	1	33	-1.0	-45.96	276.84	7.01	-38.95
CN(C(=O)C=C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL250004626688	0	38	-1.0	-48.64	280.75	7.80	-40.84
CN(C(=O)C=C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL250004626688	1	38	-1.0	-48.71	280.61	7.82	-40.89
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004626689	0	32	-1.0	-46.68	287.07	7.95	-38.73
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004626689	1	32	-1.0	-46.83	286.92	7.94	-38.89
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004626690	0	32	-1.0	-48.16	285.67	7.56	-40.60
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004626690	1	32	-1.0	-48.23	285.52	7.56	-40.67
CCCCCCCCCC=CC(=O)N(C)C1=N[N-]N=N1	REAL250004626691	0	44	-1.0	-47.26	354.16	9.81	-37.45
CCCCCCCCCC=CC(=O)N(C)C1=NN=N[N-]1	REAL250004626691	1	44	-1.0	-47.31	354.02	9.84	-37.47
CC1=CC(Br)=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626692	0	25	-1.0	-45.12	245.83	4.44	-40.68
CC1=CC(Br)=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626692	1	25	-1.0	-45.03	245.97	4.42	-40.61
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004626693	0	32	-1.0	-45.74	279.95	7.24	-38.50
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004626693	1	32	-1.0	-45.83	279.81	7.27	-38.56
CN(C(=O)C1CCCC12CCOCC2)C1=N[N-]N=N1	REAL250004626694	0	37	-1.0	-49.57	271.44	5.00	-44.57
CN(C(=O)C1CCCC12CCOCC2)C1=NN=N[N-]1	REAL250004626694	1	37	-1.0	-49.70	271.31	5.01	-44.69
CN(C(=O)C1=CC2=NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004626695	0	27	-1.0	-47.54	238.72	3.42	-44.12
CN(C(=O)C1=CC2=NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004626695	1	27	-1.0	-47.48	238.86	3.42	-44.06
CN(C(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NN=N[N-]1	REAL250004626696	0	31	-1.0	-52.38	275.90	3.90	-48.48
CN(C(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=N[N-]N=N1	REAL250004626696	1	31	-1.0	-52.31	276.04	3.89	-48.42
CN(C(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NN=N[N-]1	REAL250004626697	0	28	-1.0	-50.72	261.04	5.17	-45.55
CN(C(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=N[N-]N=N1	REAL250004626697	1	28	-1.0	-50.64	261.18	5.16	-45.48
CN(C(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004626698	0	33	-1.0	-48.98	280.94	7.54	-41.44
CN(C(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004626698	1	33	-1.0	-49.05	280.80	7.53	-41.52
CN(C(=O)CC1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004626699	0	31	-1.0	-51.98	270.85	6.36	-45.62
CN(C(=O)CC1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004626699	1	31	-1.0	-51.91	270.99	6.33	-45.58
CN(C(=O)C1=CN=C(C2CCC2)NC1=O)C1=N[N-]N=N1	REAL250004626700	0	32	-1.0	-56.35	277.72	3.99	-52.36
CN(C(=O)C1=CN=C(C2CCC2)NC1=O)C1=NN=N[N-]1	REAL250004626700	1	32	-1.0	-56.08	278.06	4.07	-52.01
CN(C(=O)C1=CC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL250004626701	0	33	-1.0	-43.50	267.69	5.26	-38.24
CN(C(=O)C1=CC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL250004626701	1	33	-1.0	-43.41	267.83	5.26	-38.15
CN(C(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=N[N-]N=N1	REAL250004626702	0	23	-1.0	-42.71	246.42	5.93	-36.78
CN(C(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NN=N[N-]1	REAL250004626702	1	23	-1.0	-42.77	246.27	5.93	-36.84
CN(C(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=N[N-]N=N1	REAL250004626703	0	32	-1.0	-47.98	276.70	6.07	-41.91
CN(C(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NN=N[N-]1	REAL250004626703	1	32	-1.0	-48.01	276.57	6.07	-41.94
COC(=O)C1CC2(C1)CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004626704	0	36	-1.0	-50.39	298.82	6.72	-43.67
COC(=O)C1CC2(C1)CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004626704	1	36	-1.0	-50.52	298.68	6.74	-43.78
CC(=O)NC1=CN=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626705	0	32	-1.0	-54.45	273.89	2.70	-51.75
CC(=O)NC1=CN=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626705	1	32	-1.0	-54.37	274.03	2.71	-51.66
CN(C(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626706	0	30	-1.0	-44.97	261.92	7.26	-37.71
CN(C(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626706	1	30	-1.0	-45.02	261.79	7.28	-37.74
CC1CCCN2C(CC(=O)N(C)C3=N[N-]N=N3)=CN=C12	REAL250004626707	0	36	-1.0	-54.08	293.08	6.50	-47.58
CC1CCCN2C(CC(=O)N(C)C3=NN=N[N-]3)=CN=C12	REAL250004626707	1	36	-1.0	-54.20	292.95	6.54	-47.66
CC1=CC(C)=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CN21	REAL250004626708	0	32	-1.0	-64.56	272.69	6.85	-57.71
CC1=CC(C)=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CN21	REAL250004626708	1	32	-1.0	-64.48	272.84	6.86	-57.62
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(Cl)S1	REAL250004626709	0	28	-1.0	-47.03	273.06	4.64	-42.39
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(Cl)S1	REAL250004626709	1	28	-1.0	-46.98	273.20	4.62	-42.36
CN(C(=O)CSCCC(F)(F)F)C1=N[N-]N=N1	REAL250004626710	0	26	-1.0	-47.55	254.02	5.53	-42.02
CN(C(=O)CSCCC(F)(F)F)C1=NN=N[N-]1	REAL250004626710	1	26	-1.0	-47.67	253.88	5.55	-42.12
CC(CCNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004626711	0	42	-1.0	-34.96	328.16	4.02	-30.94
CC(CCNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004626711	1	42	-1.0	-35.05	328.08	4.08	-30.97
CN(C(=O)C1=C2C=CC=CN2N=C1N)C1=NN=N[N-]1	REAL250004626712	0	28	-1.0	-51.63	252.33	3.77	-47.86
CN(C(=O)C1=C2C=CC=CN2N=C1N)C1=N[N-]N=N1	REAL250004626712	1	28	-1.0	-51.58	252.49	3.77	-47.81
C[C@H](C(=O)N(C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004626713	0	39	-1.0	-37.19	303.39	5.04	-32.15
C[C@H](C(=O)N(C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004626713	1	39	-1.0	-37.23	303.20	5.05	-32.18
CN(C(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL250004626714	0	32	-1.0	-70.49	278.81	5.63	-64.86
CN(C(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL250004626714	1	32	-1.0	-70.57	278.67	5.65	-64.92
CN(C(=O)C1CCCC2=C1N(C)N=N2)C1=N[N-]N=N1	REAL250004626715	0	32	-1.0	-49.24	261.35	3.62	-45.62
CN(C(=O)C1CCCC2=C1N(C)N=N2)C1=NN=N[N-]1	REAL250004626715	1	32	-1.0	-49.25	261.21	3.64	-45.61
CN(C(=O)C1=NC(Br)=CS1)C1=NN=N[N-]1	REAL250004626716	0	19	-1.0	-48.10	208.96	2.40	-45.70
CN(C(=O)C1=NC(Br)=CS1)C1=N[N-]N=N1	REAL250004626716	1	19	-1.0	-48.02	209.10	2.36	-45.66
CN(C(=O)C(F)(F)C1=NC=CN1C)C1=NN=N[N-]1	REAL250004626717	0	26	-1.0	-50.25	235.93	4.81	-45.44
CN(C(=O)C(F)(F)C1=NC=CN1C)C1=N[N-]N=N1	REAL250004626717	1	26	-1.0	-50.21	236.06	4.78	-45.43
CN(C(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004626718	0	40	-1.0	-58.95	318.17	5.75	-53.20
CN(C(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004626718	1	40	-1.0	-59.01	318.04	5.78	-53.23
CN(C(=O)C(C)(C)OCC(F)(F)F)C1=N[N-]N=N1	REAL250004626719	0	29	-1.0	-30.76	245.34	4.11	-26.65
CN(C(=O)C(C)(C)OCC(F)(F)F)C1=NN=N[N-]1	REAL250004626719	1	29	-1.0	-30.79	245.20	4.13	-26.66
CN(C(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL250004626720	0	29	-1.0	-47.18	247.01	5.60	-41.58
CN(C(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL250004626720	1	29	-1.0	-47.23	246.88	5.62	-41.61
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004626721	0	31	-1.0	-47.92	268.53	5.92	-42.00
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004626721	1	31	-1.0	-47.89	268.66	5.92	-41.97
CN(C(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=N[N-]N=N1	REAL250004626722	0	29	-1.0	-45.24	272.59	6.16	-39.08
CN(C(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NN=N[N-]1	REAL250004626722	1	29	-1.0	-45.34	272.44	6.16	-39.18
CCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)N=C1	REAL250004626723	0	32	-1.0	-53.57	274.74	4.55	-49.02
CCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)N=C1	REAL250004626723	1	32	-1.0	-53.61	274.61	4.57	-49.04
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004626724	0	31	-1.0	-58.90	269.41	6.10	-52.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004626724	1	31	-1.0	-58.82	269.54	6.09	-52.73
CN(C(=O)C1CCCC1S(C)(=O)=O)C1=N[N-]N=N1	REAL250004626725	0	32	-1.0	-57.38	270.35	2.13	-55.25
CN(C(=O)C1CCCC1S(C)(=O)=O)C1=NN=N[N-]1	REAL250004626725	1	32	-1.0	-57.44	270.23	2.16	-55.28
CN(C(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL250004626726	0	34	-1.0	-46.81	279.11	5.71	-41.10
CN(C(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL250004626726	1	34	-1.0	-46.90	278.97	5.73	-41.17
COC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004626727	0	27	-1.0	-50.02	251.00	4.53	-45.49
COC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004626727	1	27	-1.0	-49.97	251.14	4.51	-45.46
CCC1=NN(C)C(CC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626728	0	35	-1.0	-48.58	296.74	5.47	-43.11
CCC1=NN(C)C(CC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626728	1	35	-1.0	-48.49	296.88	5.46	-43.03
CN(C(=O)CC(NC1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL250004626729	0	31	-1.0	-45.15	273.19	3.79	-41.36
CN(C(=O)CC(NC1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL250004626729	1	31	-1.0	-45.24	273.05	3.82	-41.42
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(CC2=CC=CC=C2)=NO1	REAL250004626731	0	35	-1.0	-45.27	310.26	7.88	-37.39
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(CC2=CC=CC=C2)=NO1	REAL250004626731	1	35	-1.0	-45.21	310.40	7.86	-37.35
COC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL250004626732	0	34	-1.0	-46.35	284.21	5.45	-40.90
COC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL250004626732	1	34	-1.0	-46.25	284.36	5.42	-40.83
CN(C(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=NN=N[N-]1	REAL250004626733	0	27	-1.0	-43.25	256.49	6.10	-37.15
CN(C(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=N[N-]N=N1	REAL250004626733	1	27	-1.0	-43.15	256.64	6.09	-37.06
CN(C(=O)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004626734	0	27	-1.0	-44.14	241.21	4.86	-39.28
CN(C(=O)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004626734	1	27	-1.0	-44.08	241.35	4.85	-39.23
CN(C(=O)C1=CC=C(C2(F)COC2)C=C1)C1=N[N-]N=N1	REAL250004626735	0	31	-1.0	-48.91	263.63	4.74	-44.17
CN(C(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NN=N[N-]1	REAL250004626735	1	31	-1.0	-49.03	263.49	4.73	-44.30
CN(C(=O)C1CCOC2(CCOCC2)C1)C1=N[N-]N=N1	REAL250004626736	0	38	-1.0	-31.10	282.05	3.83	-27.27
CN(C(=O)C1CCOC2(CCOCC2)C1)C1=NN=N[N-]1	REAL250004626736	1	38	-1.0	-31.13	282.00	3.86	-27.27
CN(C(=O)C1=CC2=C(SC=C2)S1)C1=NN=N[N-]1	REAL250004626737	0	23	-1.0	-44.76	229.47	5.28	-39.48
CN(C(=O)C1=CC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL250004626737	1	23	-1.0	-44.62	229.62	5.28	-39.34
CC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626738	0	26	-1.0	-49.35	241.30	6.11	-43.24
CC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626738	1	26	-1.0	-49.27	241.43	6.11	-43.16
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL250004626740	0	33	-1.0	-53.15	282.18	7.35	-45.80
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL250004626740	1	33	-1.0	-53.07	282.33	7.33	-45.74
CN(C(=O)C1=COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004626742	0	27	-1.0	-45.32	240.27	5.29	-40.03
CN(C(=O)C1=COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004626742	1	27	-1.0	-45.19	240.41	5.29	-39.90
CN(C(=O)C1CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004626743	0	30	-1.0	-47.15	259.16	5.83	-41.32
CN(C(=O)C1CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004626743	1	30	-1.0	-47.22	259.02	5.85	-41.37
COC1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)OC2=C1	REAL250004626744	0	33	-1.0	-44.58	283.78	5.75	-38.83
COC1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)OC2=C1	REAL250004626744	1	33	-1.0	-44.51	283.93	5.73	-38.78
CN(C(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=NN=N[N-]1	REAL250004626745	0	28	-1.0	-44.37	256.36	2.45	-41.92
CN(C(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=N[N-]N=N1	REAL250004626745	1	28	-1.0	-44.30	256.50	2.45	-41.85
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1C=NN=C1	REAL250004626746	0	31	-1.0	-49.61	261.62	7.23	-42.38
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1C=NN=C1	REAL250004626746	1	31	-1.0	-49.47	261.75	7.21	-42.26
CN(C(=O)C(F)(F)C1(O)CCOCC1)C1=N[N-]N=N1	REAL250004626747	0	31	-1.0	-37.14	252.72	1.85	-35.29
CN(C(=O)C(F)(F)C1(O)CCOCC1)C1=NN=N[N-]1	REAL250004626747	1	31	-1.0	-37.21	252.59	1.87	-35.34
CN(C)C1=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1	REAL250004626748	0	34	-1.0	-55.66	282.98	6.70	-48.96
CN(C)C1=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1	REAL250004626748	1	34	-1.0	-55.54	283.13	6.70	-48.84
CC1=CC(O)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626749	1	27	-1.0	-44.74	248.86	3.32	-41.42
CC1=CC(O)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626749	1	27	-1.0	-44.71	248.99	3.31	-41.40
CN(C(=O)C1=CC(=O)NC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004626750	0	28	-1.0	-44.52	255.19	3.23	-41.29
CN(C(=O)C1=CC(=O)NC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004626750	1	28	-1.0	-44.47	255.33	3.24	-41.23
CN(C(=O)C1=C(Cl)C=CC2=CNN=C21)C1=NN=N[N-]1	REAL250004626751	0	26	-1.0	-62.36	251.86	4.31	-58.05
CN(C(=O)C1=C(Cl)C=CC2=CNN=C21)C1=N[N-]N=N1	REAL250004626751	1	26	-1.0	-62.29	252.00	4.30	-57.99
CN(C(=O)C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL250004626752	0	27	-1.0	-49.60	242.18	2.07	-47.53
CN(C(=O)C1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL250004626752	1	27	-1.0	-49.69	242.04	2.10	-47.59
CCC(CC(=O)N(C)C1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004626753	0	38	-1.0	-49.87	303.91	8.59	-41.28
CCC(CC(=O)N(C)C1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004626753	1	38	-1.0	-49.93	303.77	8.61	-41.32
CC(C)=CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1O	REAL250004626754	0	37	-1.0	-47.89	307.16	5.53	-42.36
CC(C)=CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1O	REAL250004626754	1	37	-1.0	-47.82	307.30	5.53	-42.29
CN(C(=O)C1=COC2=C1NC(=O)CCC2)C1=NN=N[N-]1	REAL250004626755	0	31	-1.0	-53.53	262.19	2.75	-50.78
CN(C(=O)C1=COC2=C1NC(=O)CCC2)C1=N[N-]N=N1	REAL250004626755	1	31	-1.0	-53.41	262.33	2.71	-50.70
CC1=NC=C(CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL250004626756	0	28	-1.0	-46.75	257.96	4.71	-42.04
CC1=NC=C(CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL250004626756	1	28	-1.0	-46.84	257.83	4.75	-42.09
CN(C(=O)C1(C)CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL250004626757	0	33	-1.0	-46.77	262.38	7.13	-39.64
CN(C(=O)C1(C)CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL250004626757	1	33	-1.0	-46.87	262.25	7.16	-39.71
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004626758	0	29	-1.0	-49.22	263.46	6.78	-42.44
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004626758	1	29	-1.0	-49.32	263.32	6.81	-42.51
CN(C(=O)C(C)(C)NC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004626759	0	33	-1.0	-47.37	260.37	4.00	-43.37
CN(C(=O)C(C)(C)NC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004626759	1	33	-1.0	-47.43	260.23	4.02	-43.41
CC1=CC=CC2=C(C(=O)N(C)C3=NN=N[N-]3)N=CC=C12	REAL250004626760	0	31	-1.0	-52.15	267.44	5.92	-46.23
CC1=CC=CC2=C(C(=O)N(C)C3=N[N-]N=N3)N=CC=C12	REAL250004626760	1	31	-1.0	-52.10	267.58	5.92	-46.18
CN(C(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=NN=N[N-]1	REAL250004626761	0	28	-1.0	-49.85	260.53	5.76	-44.09
CN(C(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=N[N-]N=N1	REAL250004626761	1	28	-1.0	-49.78	260.66	5.75	-44.03
CN(C(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=NN=N[N-]1	REAL250004626762	0	29	-1.0	-53.79	262.34	4.21	-49.58
CN(C(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=N[N-]N=N1	REAL250004626762	1	29	-1.0	-53.74	262.51	4.19	-49.55
CN(C(=O)C1=NC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL250004626763	0	22	-1.0	-46.87	218.19	4.67	-42.20
CN(C(=O)C1=NC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL250004626763	1	22	-1.0	-46.84	218.33	4.66	-42.18
CN(C(=O)CN1N=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004626764	0	28	-1.0	-54.29	253.07	3.64	-50.65
CN(C(=O)CN1N=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004626764	1	28	-1.0	-54.23	253.20	3.61	-50.62
CN(C(=O)C1=CN=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004626765	0	28	-1.0	-54.54	246.31	5.39	-49.15
CN(C(=O)C1=CN=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004626765	1	28	-1.0	-54.47	246.45	5.37	-49.10
CN(C(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=NN=N[N-]1	REAL250004626766	0	28	-1.0	-46.90	252.06	5.51	-41.39
CN(C(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=N[N-]N=N1	REAL250004626766	1	28	-1.0	-46.81	252.20	5.51	-41.30
CN(C(=O)CN1C=CC2=C(N)C=CC=C21)C1=NN=N[N-]1	REAL250004626767	0	32	-1.0	-52.71	277.72	5.29	-47.42
CN(C(=O)CN1C=CC2=C(N)C=CC=C21)C1=N[N-]N=N1	REAL250004626767	1	32	-1.0	-52.62	277.85	5.27	-47.35
CN(C(=O)C1(CC2=NNN=C2)CCC1)C1=N[N-]N=N1	REAL250004626769	0	32	-1.0	-53.73	261.50	3.17	-50.56
CN(C(=O)C1(CC2=NNN=C2)CCC1)C1=NN=N[N-]1	REAL250004626769	1	32	-1.0	-53.82	261.36	3.18	-50.64
CN(C(=O)C(C)(C)CC1=NNN=C1)C1=N[N-]N=N1	REAL250004626770	0	31	-1.0	-34.42	245.32	2.21	-32.21
CN(C(=O)C(C)(C)CC1=NNN=C1)C1=NN=N[N-]1	REAL250004626770	1	31	-1.0	-34.46	245.18	2.22	-32.24
CCC(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626771	0	31	-1.0	-55.13	264.34	5.13	-50.00
CCC(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626771	1	31	-1.0	-55.25	264.21	5.14	-50.11
CC(C)OC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004626772	0	33	-1.0	-52.16	287.33	6.35	-45.81
CC(C)OC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004626772	1	33	-1.0	-52.23	287.20	6.35	-45.88
CN(C(=O)CC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL250004626773	0	25	-1.0	-48.16	245.90	4.82	-43.34
CN(C(=O)CC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL250004626773	1	25	-1.0	-48.07	246.03	4.78	-43.29
CN(C(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=NN=N[N-]1	REAL250004626774	0	30	-1.0	-52.35	260.07	4.91	-47.44
CN(C(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=N[N-]N=N1	REAL250004626774	1	30	-1.0	-52.23	260.21	4.92	-47.31
CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004626775	0	38	-1.0	-47.41	305.82	4.86	-42.55
CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004626775	1	38	-1.0	-47.46	305.68	4.88	-42.58
C=CCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004626776	0	40	-1.0	-33.72	316.04	3.88	-29.84
C=CCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004626776	1	40	-1.0	-33.76	315.93	3.89	-29.87
CC1=CC(F)=CC=C1C(O)C(=O)N(C)C1=N[N-]N=N1	REAL250004626777	0	30	-1.0	-44.82	254.05	3.57	-41.25
CC1=CC(F)=CC=C1C(O)C(=O)N(C)C1=NN=N[N-]1	REAL250004626777	1	30	-1.0	-44.90	253.91	3.57	-41.33
CC1=CC=C2C(C(=O)N(C)C3=NN=N[N-]3)=CNC2=C1	REAL250004626778	0	30	-1.0	-55.49	257.56	5.66	-49.83
CC1=CC=C2C(C(=O)N(C)C3=N[N-]N=N3)=CNC2=C1	REAL250004626778	1	30	-1.0	-55.36	257.70	5.63	-49.73
CC(=O)C1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004626779	0	32	-1.0	-62.74	283.65	5.64	-57.10
CC(=O)C1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004626779	1	32	-1.0	-62.67	283.78	5.63	-57.04
CCC1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004626780	0	34	-1.0	-47.98	258.99	5.56	-42.42
CCC1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004626780	1	34	-1.0	-48.10	258.86	5.59	-42.51
CN(C(=O)C1=C2C=COC2=CC=C1F)C1=NN=N[N-]1	REAL250004626781	0	26	-1.0	-52.68	242.92	5.50	-47.18
CN(C(=O)C1=C2C=COC2=CC=C1F)C1=N[N-]N=N1	REAL250004626781	1	26	-1.0	-52.60	243.06	5.47	-47.13
CN(C(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL250004626782	0	28	-1.0	-47.64	249.60	2.12	-45.52
CN(C(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL250004626782	1	28	-1.0	-47.57	249.74	2.13	-45.44
CN(C(=O)C1(C#N)CC12CCOCC2)C1=N[N-]N=N1	REAL250004626783	0	32	-1.0	-43.33	263.44	4.13	-39.20
CN(C(=O)C1(C#N)CC12CCOCC2)C1=NN=N[N-]1	REAL250004626783	1	32	-1.0	-43.37	263.31	4.16	-39.21
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004626784	0	33	-1.0	-47.40	273.61	4.19	-43.21
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004626784	1	33	-1.0	-47.33	273.74	4.16	-43.17
COC(=O)C1=CC(OC)=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626785	0	32	-1.0	-45.30	285.08	4.09	-41.21
COC(=O)C1=CC(OC)=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626785	1	32	-1.0	-45.17	285.21	4.07	-41.10
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004626786	0	32	-1.0	-64.56	279.06	4.93	-59.63
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004626786	1	32	-1.0	-64.52	279.21	4.91	-59.61
CN(C(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004626787	0	33	-1.0	-45.77	270.65	6.38	-39.39
CN(C(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004626787	1	33	-1.0	-45.84	270.51	6.41	-39.43
CN(C(=O)C(F)(F)C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004626788	0	25	-1.0	-42.10	231.72	4.17	-37.93
CN(C(=O)C(F)(F)C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004626788	1	25	-1.0	-42.02	231.85	4.14	-37.88
COCC1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004626789	0	37	-1.0	-44.88	281.09	3.30	-41.58
COCC1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004626789	1	37	-1.0	-44.97	280.96	3.33	-41.64
CN(C(=O)C1CNC(=O)CC1(C)C)C1=N[N-]N=N1	REAL250004626790	0	33	-1.0	-45.58	256.30	2.32	-43.26
CN(C(=O)C1CNC(=O)CC1(C)C)C1=NN=N[N-]1	REAL250004626790	1	33	-1.0	-45.69	256.17	2.35	-43.34
CCC(O)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004626791	0	33	-1.0	-46.49	259.38	4.66	-41.83
CCC(O)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004626791	1	33	-1.0	-46.45	259.52	4.64	-41.81
CN(C(=O)C1CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004626792	0	33	-1.0	-52.41	272.07	5.35	-47.06
CN(C(=O)C1CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004626792	1	33	-1.0	-52.48	271.93	5.36	-47.12
CN(C(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=NN=N[N-]1	REAL250004626793	0	28	-1.0	-57.33	243.46	3.31	-54.02
CN(C(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=N[N-]N=N1	REAL250004626793	1	28	-1.0	-57.27	243.59	3.27	-54.00
CN(C(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL250004626794	0	33	-1.0	-49.54	288.24	5.29	-44.25
CN(C(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL250004626794	1	33	-1.0	-49.40	288.39	5.28	-44.12
CCC(C)C(=O)N1CSC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626795	0	37	-1.0	-54.66	300.74	5.86	-48.80
CCC(C)C(=O)N1CSC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626795	1	37	-1.0	-54.74	300.61	5.88	-48.86
CN(C(=O)C1=CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL250004626796	0	31	-1.0	-40.63	263.55	5.13	-35.50
CN(C(=O)C1=CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL250004626796	1	31	-1.0	-40.56	263.70	5.11	-35.45
CN(C(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NN=N[N-]1	REAL250004626797	0	26	-1.0	-45.35	245.16	4.10	-41.25
CN(C(=O)C1=CC2=C(C=C1Cl)OCO2)C1=N[N-]N=N1	REAL250004626797	1	26	-1.0	-45.26	245.29	4.10	-41.16
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)N=C2CCCCN21	REAL250004626798	0	39	-1.0	-53.22	298.54	7.53	-45.69
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)N=C2CCCCN21	REAL250004626798	1	39	-1.0	-53.01	298.84	7.53	-45.48
CC1=NC2=NC=NN2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626799	0	27	-1.0	-47.52	240.80	7.14	-40.38
CC1=NC2=NC=NN2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626799	1	27	-1.0	-47.45	240.92	7.15	-40.30
CC1=CC(C2CCC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626800	0	35	-1.0	-44.84	283.45	6.25	-38.59
CC1=CC(C2CCC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626800	1	35	-1.0	-44.74	283.59	6.24	-38.50
CC(C)[C@@H]1C[C@H](CC(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004626801	0	42	-1.0	-46.35	324.98	9.33	-37.02
CC(C)[C@@H]1C[C@H](CC(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004626801	1	42	-1.0	-46.39	324.84	9.35	-37.04
COC1=CC=CC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)CO2	REAL250004626802	0	35	-1.0	-47.82	283.35	4.90	-42.92
COC1=CC=CC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)CO2	REAL250004626802	1	35	-1.0	-47.92	283.22	4.92	-43.00
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC=C1F	REAL250004626803	0	30	-1.0	-44.82	260.17	6.20	-38.62
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC=C1F	REAL250004626803	1	30	-1.0	-44.75	260.31	6.17	-38.58
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC=C1Cl	REAL250004626804	0	30	-1.0	-44.47	268.87	6.61	-37.86
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC=C1Cl	REAL250004626804	1	30	-1.0	-44.39	269.01	6.57	-37.82
CN(C(=O)C1=NN2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626805	0	28	-1.0	-55.40	246.97	0.99	-54.41
CN(C(=O)C1=NN2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626805	1	28	-1.0	-55.32	247.11	0.97	-54.35
CC1=CC2=NC=CN=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626806	0	30	-1.0	-48.06	257.87	4.04	-44.02
CC1=CC2=NC=CN=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626806	1	30	-1.0	-47.99	258.00	4.03	-43.96
CC(=O)NC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004626807	0	35	-1.0	-56.56	277.74	4.56	-52.00
CC(=O)NC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004626807	1	35	-1.0	-56.63	277.61	4.58	-52.05
CN(C(=O)C1CCC2C(CC1)C2(F)F)C1=N[N-]N=N1	REAL250004626808	0	33	-1.0	-45.67	265.59	6.67	-39.00
CN(C(=O)C1CCC2C(CC1)C2(F)F)C1=NN=N[N-]1	REAL250004626808	1	33	-1.0	-45.74	264.89	6.68	-39.06
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC=CC1	REAL250004626809	0	33	-1.0	-43.54	270.93	5.84	-37.70
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC=CC1	REAL250004626809	1	33	-1.0	-43.62	270.80	5.85	-37.77
CC1=C(C)OC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626810	0	31	-1.0	-48.21	269.30	2.90	-45.31
CC1=C(C)OC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626810	1	31	-1.0	-48.27	269.17	2.93	-45.34
COCCOCCN1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626811	0	37	-1.0	-51.05	318.33	3.53	-47.52
COCCOCCN1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626811	1	37	-1.0	-50.97	318.47	3.52	-47.45
COCCOCCN1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626812	0	37	-1.0	-50.49	310.24	2.87	-47.62
COCCOCCN1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626812	1	37	-1.0	-50.37	310.38	2.84	-47.53
CN(C(=O)C1=C2CCCC2=NNC1=O)C1=NN=N[N-]1	REAL250004626813	0	29	-1.0	-56.51	254.28	2.54	-53.97
CN(C(=O)C1=C2CCCC2=NNC1=O)C1=N[N-]N=N1	REAL250004626813	1	29	-1.0	-56.45	254.40	2.52	-53.93
CN(C(=O)C1=CC=CC2=C1CNC2=O)C1=NN=N[N-]1	REAL250004626814	0	28	-1.0	-46.89	246.81	2.42	-44.47
CN(C(=O)C1=CC=CC2=C1CNC2=O)C1=N[N-]N=N1	REAL250004626814	1	28	-1.0	-46.80	246.95	2.42	-44.38
CN(C(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL250004626815	0	29	-1.0	-50.66	268.78	5.40	-45.26
CN(C(=O)C1=NN(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL250004626815	1	29	-1.0	-50.56	268.93	5.38	-45.18
CN(C(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NN=N[N-]1	REAL250004626816	0	29	-1.0	-48.15	265.27	5.73	-42.42
CN(C(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=N[N-]N=N1	REAL250004626816	1	29	-1.0	-48.05	265.41	5.71	-42.34
CN(C(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=N[N-]N=N1	REAL250004626817	0	37	-1.0	-51.79	294.63	7.32	-44.47
CN(C(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NN=N[N-]1	REAL250004626817	1	37	-1.0	-51.91	294.49	7.34	-44.57
CC(C(=O)N(C)C1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004626818	0	35	-1.0	-32.81	289.14	8.01	-24.80
CC(C(=O)N(C)C1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004626818	1	35	-1.0	-32.92	289.16	8.00	-24.92
CN(C(=O)C1=CC=C(CC2CCC2)C=C1)C1=NN=N[N-]1	REAL250004626819	0	36	-1.0	-48.00	293.16	8.42	-39.58
CN(C(=O)C1=CC=C(CC2CCC2)C=C1)C1=N[N-]N=N1	REAL250004626819	1	36	-1.0	-47.91	293.29	8.43	-39.48
CN(C)C1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2O1	REAL250004626820	0	33	-1.0	-49.84	281.65	3.50	-46.34
CN(C)C1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2O1	REAL250004626820	1	33	-1.0	-49.76	281.79	3.48	-46.28
CN(C(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=NN=N[N-]1	REAL250004626821	0	30	-1.0	-57.76	266.73	1.57	-56.19
CN(C(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=N[N-]N=N1	REAL250004626821	1	30	-1.0	-57.71	266.87	1.57	-56.14
CN(C(=O)C1=CN(C2COC2)N=N1)C1=NN=N[N-]1	REAL250004626823	0	27	-1.0	-45.65	239.29	1.02	-44.63
CN(C(=O)C1=CN(C2COC2)N=N1)C1=N[N-]N=N1	REAL250004626823	1	27	-1.0	-45.59	239.44	0.99	-44.60
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL250004626824	0	26	-1.0	-42.02	247.75	5.98	-36.04
CN(C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL250004626824	1	26	-1.0	-42.08	247.62	6.01	-36.07
CN(C(=O)CCC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL250004626825	0	28	-1.0	-47.84	252.39	4.97	-42.87
CN(C(=O)CCC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL250004626825	1	28	-1.0	-47.75	252.52	4.93	-42.82
CC(=O)NCC1(CC(=O)N(C)C2=N[N-]N=N2)CCCCC1	REAL250004626826	0	42	-1.0	-56.57	313.18	5.08	-51.49
CC(=O)NCC1(CC(=O)N(C)C2=NN=N[N-]2)CCCCC1	REAL250004626826	1	42	-1.0	-56.68	313.05	5.10	-51.58
CN(C(=O)C1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL250004626827	0	39	-1.0	-45.61	292.13	5.53	-40.08
CN(C(=O)C1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL250004626827	1	39	-1.0	-45.67	291.99	5.54	-40.13
CN(C(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL250004626828	0	29	-1.0	-44.38	262.76	3.45	-40.93
CN(C(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL250004626828	1	29	-1.0	-44.43	262.62	3.46	-40.97
CN(C(=O)CCOC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004626829	0	30	-1.0	-48.76	285.93	6.37	-42.39
CN(C(=O)CCOC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004626829	1	30	-1.0	-48.82	285.79	6.40	-42.42
CC(C)CC(=O)N1CCCCC1C(=O)N(C)C1=N[N-]N=N1	REAL250004626830	0	42	-1.0	-62.73	319.20	7.46	-55.27
CC(C)CC(=O)N1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004626830	1	42	-1.0	-62.85	319.07	7.48	-55.37
CN(C(=O)C12OC3C4COCC3C1C42)C1=N[N-]N=N1	REAL250004626831	0	31	-1.0	-48.90	250.13	3.38	-45.52
CN(C(=O)C12OC3C4COCC3C1C42)C1=NN=N[N-]1	REAL250004626831	1	31	-1.0	-48.99	249.99	3.41	-45.58
CN(C(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=N[N-]N=N1	REAL250004626832	0	32	-1.0	-40.66	257.59	1.75	-38.91
CN(C(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=NN=N[N-]1	REAL250004626832	1	32	-1.0	-40.69	257.45	1.77	-38.92
CN(C(=O)C1(C2CCCO2)CCOCC1)C1=N[N-]N=N1	REAL250004626833	0	38	-1.0	-48.60	268.68	4.04	-44.56
CN(C(=O)C1(C2CCCO2)CCOCC1)C1=NN=N[N-]1	REAL250004626833	1	38	-1.0	-48.69	268.55	4.04	-44.65
CN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626834	0	40	-1.0	-47.96	299.43	8.93	-39.03
CN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626834	1	40	-1.0	-48.11	299.30	8.95	-39.16
CN(C(=O)CCCCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL250004626835	0	36	-1.0	-49.24	305.28	5.48	-43.76
CN(C(=O)CCCCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL250004626835	1	36	-1.0	-49.33	305.15	5.52	-43.81
CN(C(=O)C1=CN=C2CCCCC2=N1)C1=N[N-]N=N1	REAL250004626836	0	31	-1.0	-45.73	257.43	4.73	-41.00
CN(C(=O)C1=CN=C2CCCCC2=N1)C1=NN=N[N-]1	REAL250004626836	1	31	-1.0	-45.83	257.29	4.75	-41.08
CN(C(=O)C=CCCCCCCCO)C1=N[N-]N=N1	REAL250004626837	0	39	-1.0	-50.17	322.58	4.91	-45.26
CN(C(=O)C=CCCCCCCCO)C1=NN=N[N-]1	REAL250004626837	1	39	-1.0	-50.31	322.44	4.93	-45.38
COC(=O)[C@@H]1[C@@H](C(=O)N(C)C2=NN=N[N-]2)C1(F)F	REAL250004626838	0	26	-1.0	-43.22	248.21	4.61	-38.61
COC(=O)[C@@H]1[C@@H](C(=O)N(C)C2=N[N-]N=N2)C1(F)F	REAL250004626838	1	26	-1.0	-43.12	248.35	4.57	-38.55
CC(C(F)C(=O)N(C)C1=N[N-]N=N1)C(F)(F)F	REAL250004626839	0	25	-1.0	-45.41	229.48	4.51	-40.90
CC(C(F)C(=O)N(C)C1=NN=N[N-]1)C(F)(F)F	REAL250004626839	1	25	-1.0	-45.51	229.34	4.54	-40.97
COC1(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)COC1	REAL250004626840	0	35	-1.0	-46.77	283.52	4.25	-42.52
COC1(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)COC1	REAL250004626840	1	35	-1.0	-46.84	283.38	4.24	-42.60
CCC1=NC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626841	0	27	-1.0	-43.35	250.45	5.05	-38.30
CCC1=NC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626841	1	27	-1.0	-43.40	250.31	5.07	-38.33
CC1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)N2)S1	REAL250004626842	0	27	-1.0	-46.25	246.17	5.37	-40.88
CC1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)N2)S1	REAL250004626842	1	27	-1.0	-46.17	246.31	5.38	-40.79
CN(C(=O)C12CC(C)(C1)OC2(C)C)C1=N[N-]N=N1	REAL250004626843	0	34	-1.0	-45.58	257.49	4.16	-41.42
CN(C(=O)C12CC(C)(C1)OC2(C)C)C1=NN=N[N-]1	REAL250004626843	1	34	-1.0	-45.63	257.36	4.18	-41.45
CN(C(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=N[N-]N=N1	REAL250004626844	0	30	-1.0	-56.57	275.72	7.36	-49.21
CN(C(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=NN=N[N-]1	REAL250004626844	1	30	-1.0	-56.66	275.59	7.38	-49.28
CN(C(=O)C1(C2CCCO2)CCCC1)C1=N[N-]N=N1	REAL250004626845	0	37	-1.0	-44.60	274.00	5.22	-39.38
CN(C(=O)C1(C2CCCO2)CCCC1)C1=NN=N[N-]1	REAL250004626845	1	37	-1.0	-44.73	273.86	5.25	-39.48
CN(C(=O)C1(C(F)(F)F)CC=CCO1)C1=N[N-]N=N1	REAL250004626846	0	28	-1.0	-40.91	236.83	4.26	-36.65
CN(C(=O)C1(C(F)(F)F)CC=CCO1)C1=NN=N[N-]1	REAL250004626846	1	28	-1.0	-40.95	236.69	4.28	-36.67
CN(C(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL250004626847	0	25	-1.0	-48.80	231.73	4.71	-44.09
CN(C(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL250004626847	1	25	-1.0	-48.73	231.87	4.68	-44.05
CN(C(=O)C1CNC(=O)CC12CCOC2)C1=N[N-]N=N1	REAL250004626848	0	35	-1.0	-32.67	264.27	2.08	-30.59
CN(C(=O)C1CNC(=O)CC12CCOC2)C1=NN=N[N-]1	REAL250004626848	1	35	-1.0	-49.55	265.85	1.77	-47.78
CC1=CC=C2OC=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004626849	0	29	-1.0	-51.79	253.61	6.12	-45.67
CC1=CC=C2OC=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004626849	1	29	-1.0	-51.72	253.75	6.10	-45.62
CN(C(=O)C1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL250004626850	0	31	-1.0	-47.08	265.07	7.11	-39.97
CN(C(=O)C1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL250004626850	1	31	-1.0	-46.96	265.29	7.11	-39.85
CN(C(=O)C1=CC=C2SCCCCC2=C1)C1=NN=N[N-]1	REAL250004626851	0	34	-1.0	-46.36	281.69	7.70	-38.66
CN(C(=O)C1=CC=C2SCCCCC2=C1)C1=N[N-]N=N1	REAL250004626851	1	34	-1.0	-46.27	281.89	7.69	-38.58
CC1=CC=C2C(C(=O)N(C)C3=NN=N[N-]3)=COC2=C1	REAL250004626852	0	29	-1.0	-51.10	252.17	6.09	-45.01
CC1=CC=C2C(C(=O)N(C)C3=N[N-]N=N3)=COC2=C1	REAL250004626852	1	29	-1.0	-51.00	252.54	6.08	-44.92
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004626853	0	31	-1.0	-59.91	258.90	0.16	-59.75
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004626853	1	31	-1.0	-59.99	258.76	0.19	-59.80
COC(=O)CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626854	0	35	-1.0	-50.90	300.58	7.16	-43.74
COC(=O)CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626854	1	35	-1.0	-50.98	300.44	7.16	-43.82
CC(C)=CCC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL250004626855	0	36	-1.0	-45.32	301.84	8.33	-36.99
CC(C)=CCC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL250004626855	1	36	-1.0	-45.28	301.98	8.33	-36.95
CN(C(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NN=N[N-]1	REAL250004626856	0	24	-1.0	-43.06	241.34	5.18	-37.88
CN(C(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=N[N-]N=N1	REAL250004626856	1	24	-1.0	-42.98	241.49	5.20	-37.78
CN(C(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL250004626857	0	30	-1.0	-47.46	266.03	5.35	-42.11
CN(C(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL250004626857	1	30	-1.0	-47.37	266.17	5.32	-42.05
CN(C(=O)CC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004626858	0	31	-1.0	-52.36	270.91	6.35	-46.01
CN(C(=O)CC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004626858	1	31	-1.0	-52.26	271.05	6.32	-45.94
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004626859	0	34	-1.0	-41.24	266.94	3.39	-37.85
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004626859	1	34	-1.0	-41.33	266.81	3.40	-37.93
CN(C(=O)CN1N=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004626860	0	33	-1.0	-53.29	283.78	3.58	-49.71
CN(C(=O)CN1N=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004626860	1	33	-1.0	-53.21	283.92	3.55	-49.66
CN(C(=O)C1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004626861	0	27	-1.0	-54.15	250.69	5.12	-49.03
CN(C(=O)C1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004626861	1	27	-1.0	-54.07	250.84	5.11	-48.96
CN(C(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004626862	0	26	-1.0	-46.67	239.10	6.04	-40.63
CN(C(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004626862	1	26	-1.0	-46.73	238.96	6.07	-40.66
CN(C(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004626863	0	33	-1.0	-47.54	289.11	5.61	-41.93
CN(C(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004626863	1	33	-1.0	-47.52	289.24	5.61	-41.91
CN(C(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NN=N[N-]1	REAL250004626864	0	26	-1.0	-51.89	242.86	5.58	-46.31
CN(C(=O)C1=COC2=CC(F)=CC(F)=C12)C1=N[N-]N=N1	REAL250004626864	1	26	-1.0	-51.78	243.00	5.55	-46.23
CN(C(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL250004626865	0	28	-1.0	-49.06	252.85	3.69	-45.37
CN(C(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL250004626865	1	28	-1.0	-48.99	253.00	3.67	-45.32
CN(C(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NN=N[N-]1	REAL250004626866	0	26	-1.0	-44.55	244.83	4.20	-40.35
CN(C(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=N[N-]N=N1	REAL250004626866	1	26	-1.0	-44.51	244.97	4.21	-40.30
CN(C(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL250004626867	0	33	-1.0	-49.94	286.80	6.08	-43.86
CN(C(=O)C1=NC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL250004626867	1	33	-1.0	-49.83	286.94	6.08	-43.75
CN(C(=O)C1=CC2=C(S1)N(C)N=C2)C1=NN=N[N-]1	REAL250004626868	0	26	-1.0	-46.51	241.78	3.91	-42.60
CN(C(=O)C1=CC2=C(S1)N(C)N=C2)C1=N[N-]N=N1	REAL250004626868	1	26	-1.0	-46.42	241.93	3.92	-42.50
COC1=CC=CC=C1N1C=NC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626869	0	34	-1.0	-51.28	294.79	7.71	-43.57
COC1=CC=CC=C1N1C=NC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626869	1	34	-1.0	-51.27	294.94	7.68	-43.59
CN(C(=O)C1=CN=C(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL250004626870	0	35	-1.0	-43.61	288.40	3.55	-40.06
CN(C(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL250004626870	1	35	-1.0	-43.70	288.27	3.57	-40.13
CC(=O)C1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004626871	0	33	-1.0	-59.70	286.33	5.92	-53.78
CC(=O)C1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004626871	1	33	-1.0	-59.63	286.46	5.91	-53.72
CN(C(=O)CC1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004626872	0	25	-1.0	-47.89	239.13	4.61	-43.28
CN(C(=O)CC1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004626872	1	25	-1.0	-47.98	239.00	4.64	-43.34
CN(C(=O)C1=CC2=CC=C(O)C=C2N1)C1=NN=N[N-]1	REAL250004626873	0	28	-1.0	-46.30	245.09	2.66	-43.64
CN(C(=O)C1=CC2=CC=C(O)C=C2N1)C1=N[N-]N=N1	REAL250004626873	1	28	-1.0	-46.26	245.24	2.64	-43.62
CC1=CC(=O)N2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2N1	REAL250004626874	0	29	-1.0	-49.75	257.42	3.32	-46.43
CC1=CC(=O)N2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2N1	REAL250004626874	1	29	-1.0	-49.67	257.58	3.29	-46.38
CN(C(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=N[N-]N=N1	REAL250004626875	0	34	-1.0	-46.22	278.66	4.07	-42.15
CN(C(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=NN=N[N-]1	REAL250004626875	1	34	-1.0	-46.32	278.53	4.08	-42.24
CN(C(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NN=N[N-]1	REAL250004626876	0	30	-1.0	-57.36	268.30	1.65	-55.71
CN(C(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=N[N-]N=N1	REAL250004626876	1	30	-1.0	-57.28	268.45	1.66	-55.62
COC1=CC=C(C(C)C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004626877	0	33	-1.0	-53.26	276.57	5.60	-47.66
COC1=CC=C(C(C)C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004626877	1	33	-1.0	-53.38	276.44	5.61	-47.77
COC(C(=O)N(C)C1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004626878	0	30	-1.0	-48.96	256.83	5.20	-43.76
COC(C(=O)N(C)C1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004626878	1	30	-1.0	-49.06	256.69	5.22	-43.84
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=NNC=N1	REAL250004626879	0	31	-1.0	-52.18	262.25	4.08	-48.10
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=NNC=N1	REAL250004626879	1	31	-1.0	-52.24	262.12	4.10	-48.14
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)C1=NN=CN1	REAL250004626879	1	31	-1.0	-42.89	259.59	4.89	-38.00
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)C1=NN=CN1	REAL250004626879	1	31	-1.0	-42.97	259.46	4.91	-38.06
CN(C(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004626880	0	38	-1.0	-47.82	274.14	6.38	-41.44
CN(C(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004626880	1	38	-1.0	-47.87	274.01	6.40	-41.47
CN(C(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL250004626881	0	29	-1.0	-44.95	268.69	4.80	-40.15
CN(C(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL250004626881	1	29	-1.0	-44.84	268.84	4.78	-40.06
CN(C(=O)COCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004626882	0	32	-1.0	-57.73	287.30	3.45	-54.28
CN(C(=O)COCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004626882	1	32	-1.0	-57.80	287.16	3.48	-54.32
CN(C(=O)CC1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL250004626883	0	35	-1.0	-49.73	290.63	5.81	-43.92
CN(C(=O)CC1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL250004626883	1	35	-1.0	-49.84	290.49	5.84	-44.00
CN(C(=O)CN1C=NC(Br)=C1)C1=NN=N[N-]1	REAL250004626884	0	23	-1.0	-52.19	232.29	5.50	-46.69
CN(C(=O)CN1C=NC(Br)=C1)C1=N[N-]N=N1	REAL250004626884	1	23	-1.0	-52.11	232.42	5.48	-46.63
CN(C(=O)C1=CC=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL250004626885	0	28	-1.0	-48.68	243.49	2.37	-46.31
CN(C(=O)C1=CC=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL250004626885	1	28	-1.0	-48.60	243.62	2.37	-46.23
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NN=N[N-]1	REAL250004626886	0	25	-1.0	-49.06	242.67	4.18	-44.88
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=N[N-]N=N1	REAL250004626886	1	25	-1.0	-49.02	242.81	4.18	-44.84
CN(C(=O)C1=NNC2=C1C(=O)NC=N2)C1=NN=N[N-]1	REAL250004626887	0	25	-1.0	-61.12	228.92	3.28	-57.84
CN(C(=O)C1=NNC2=C1C(=O)NC=N2)C1=N[N-]N=N1	REAL250004626887	1	25	-1.0	-61.07	229.06	3.26	-57.81
CN(C(=O)C1=COC2=C1C(O)CCC2)C1=N[N-]N=N1	REAL250004626888	0	31	-1.0	-53.10	255.85	3.76	-49.34
CN(C(=O)C1=COC2=C1C(O)CCC2)C1=NN=N[N-]1	REAL250004626888	1	31	-1.0	-53.19	255.71	3.77	-49.42
CN(C(=O)C1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL250004626889	0	26	-1.0	-56.26	226.88	5.79	-50.47
CN(C(=O)C1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL250004626889	1	26	-1.0	-56.15	227.02	5.80	-50.35
CN(C(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL250004626890	0	28	-1.0	-42.22	255.93	4.45	-37.77
CN(C(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL250004626890	1	28	-1.0	-42.13	256.07	4.44	-37.69
CN(C(=O)C(O)C1CCCCCC1)C1=N[N-]N=N1	REAL250004626891	0	36	-1.0	-46.04	265.56	4.41	-41.63
CN(C(=O)C(O)C1CCCCCC1)C1=NN=N[N-]1	REAL250004626891	1	36	-1.0	-46.08	265.42	4.43	-41.65
CN(C(=O)C(O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL250004626892	0	27	-1.0	-45.18	241.06	3.67	-41.51
CN(C(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL250004626892	1	27	-1.0	-45.24	240.93	3.70	-41.54
CN(C(=O)CC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004626893	0	27	-1.0	-50.06	256.09	6.40	-43.66
CN(C(=O)CC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004626893	1	27	-1.0	-50.15	255.96	6.42	-43.73
CN(C(=O)CC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL250004626894	0	32	-1.0	-44.58	273.66	7.32	-37.26
CN(C(=O)CC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL250004626894	1	32	-1.0	-44.67	273.52	7.34	-37.33
CN(C(=O)C1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004626895	0	31	-1.0	-48.97	255.72	4.98	-43.99
CN(C(=O)C1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004626895	1	31	-1.0	-48.90	255.86	4.99	-43.91
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL250004626896	0	28	-1.0	-42.00	262.43	6.54	-35.46
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL250004626896	1	28	-1.0	-42.08	262.29	6.54	-35.54
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C2C(=O)CCCC2=N1	REAL250004626897	0	34	-1.0	-58.11	282.47	6.74	-51.37
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C2C(=O)CCCC2=N1	REAL250004626897	1	34	-1.0	-58.05	282.60	6.74	-51.31
CN(C(=O)C(F)(F)C1=CSC(N)=N1)C1=NN=N[N-]1	REAL250004626898	0	24	-1.0	-46.64	235.93	2.57	-44.07
CN(C(=O)C(F)(F)C1=CSC(N)=N1)C1=N[N-]N=N1	REAL250004626898	1	24	-1.0	-46.62	236.06	2.54	-44.08
CCOCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004626899	0	29	-1.0	-48.65	266.93	3.63	-45.02
CCOCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004626899	1	29	-1.0	-48.69	266.79	3.66	-45.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004626900	0	33	-1.0	-45.76	275.59	2.67	-43.09
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004626900	1	33	-1.0	-45.78	275.45	2.70	-43.08
CC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004626901	0	28	-1.0	-48.31	247.06	5.38	-42.93
CC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004626901	1	28	-1.0	-48.28	247.20	5.37	-42.91
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL250004626902	0	30	-1.0	-43.54	271.57	6.66	-36.88
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL250004626902	1	30	-1.0	-43.50	271.71	6.64	-36.86
CN(C(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=N[N-]N=N1	REAL250004626903	0	33	-1.0	-48.86	268.43	7.52	-41.34
CN(C(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=NN=N[N-]1	REAL250004626903	1	33	-1.0	-48.95	268.29	7.52	-41.43
CN(C(=O)C(O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004626904	0	27	-1.0	-48.68	244.86	3.76	-44.92
CN(C(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004626904	1	27	-1.0	-48.77	244.72	3.78	-44.99
CN(C(=O)C1=C(N)N(CCO)N=C1)C1=NN=N[N-]1	REAL250004626905	0	29	-1.0	-47.16	251.30	-0.89	-48.05
CN(C(=O)C1=C(N)N(CCO)N=C1)C1=N[N-]N=N1	REAL250004626905	1	29	-1.0	-47.07	251.48	-0.89	-47.96
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL250004626906	0	27	-1.0	-52.35	250.00	2.21	-50.14
CN(C(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL250004626906	1	27	-1.0	-52.30	250.13	2.23	-50.07
CN(C(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004626907	0	31	-1.0	-49.02	277.57	5.19	-43.83
CN(C(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004626907	1	31	-1.0	-48.93	277.72	5.18	-43.75
CN(C(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL250004626908	0	33	-1.0	-55.96	285.17	4.84	-51.12
CN(C(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL250004626908	1	33	-1.0	-55.99	285.02	4.85	-51.14
CCN1C=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004626909	0	26	-1.0	-51.03	244.28	4.78	-46.25
CCN1C=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004626909	1	26	-1.0	-50.98	244.43	4.77	-46.21
CN(C(=O)C1=CNN=C1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004626910	0	30	-1.0	-53.23	261.82	2.28	-50.95
CN(C(=O)C1=CNN=C1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004626910	1	30	-1.0	-53.12	261.93	2.28	-50.84
COC1=NSC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626911	0	27	-1.0	-45.39	258.12	2.47	-42.92
COC1=NSC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626911	1	27	-1.0	-45.46	257.98	2.47	-42.99
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCC1	REAL250004626912	0	30	-1.0	-42.96	248.72	4.96	-38.00
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCC1	REAL250004626912	1	30	-1.0	-42.97	248.59	4.98	-37.99
CCC(C(=O)N(C)C1=N[N-]N=N1)C1CCOCC1	REAL250004626913	0	36	-1.0	-48.41	276.79	4.67	-43.74
CCC(C(=O)N(C)C1=NN=N[N-]1)C1CCOCC1	REAL250004626913	1	36	-1.0	-48.54	276.65	4.70	-43.84
CN(C(=O)C1=CSC(CC(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004626914	0	25	-1.0	-49.20	252.32	4.71	-44.49
CN(C(=O)C1=CSC(CC(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004626914	1	25	-1.0	-49.32	252.17	4.73	-44.59
CN(C(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL250004626915	0	33	-1.0	-51.59	269.32	2.96	-48.63
CN(C(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL250004626915	1	33	-1.0	-51.66	269.19	3.00	-48.66
CN(C(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NN=N[N-]1	REAL250004626916	0	26	-1.0	-47.64	241.64	5.50	-42.14
CN(C(=O)C1=COC2=C(F)C=C(F)C=C12)C1=N[N-]N=N1	REAL250004626916	1	26	-1.0	-47.57	241.78	5.49	-42.08
CCC1=CC=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)N=C21	REAL250004626917	0	34	-1.0	-49.20	283.12	7.77	-41.43
CCC1=CC=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)N=C21	REAL250004626917	1	34	-1.0	-49.13	283.27	7.76	-41.37
CN(C(=O)C1(C)CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004626918	0	32	-1.0	-34.96	247.08	0.99	-33.97
CN(C(=O)C1(C)CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004626918	1	32	-1.0	-34.94	246.95	1.00	-33.94
CN(C(=O)C1=CC=CC=C1C(C)(F)F)C1=NN=N[N-]1	REAL250004626919	0	29	-1.0	-58.11	243.74	6.32	-51.79
CN(C(=O)C1=CC=CC=C1C(C)(F)F)C1=N[N-]N=N1	REAL250004626919	1	29	-1.0	-58.01	243.88	6.33	-51.68
CN(C(=O)C1(F)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004626920	0	29	-1.0	-43.32	240.17	5.33	-37.99
CN(C(=O)C1(F)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004626920	1	29	-1.0	-43.46	240.04	5.36	-38.10
CN(C(=O)C1CC(C)(C)C1C(F)(F)F)C1=N[N-]N=N1	REAL250004626921	0	32	-1.0	-46.69	267.81	6.13	-40.56
CN(C(=O)C1CC(C)(C)C1C(F)(F)F)C1=NN=N[N-]1	REAL250004626921	1	32	-1.0	-46.80	267.68	6.15	-40.65
CN(C(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004626922	0	34	-1.0	-50.54	272.15	4.42	-46.12
CN(C(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004626922	1	34	-1.0	-50.43	272.28	4.40	-46.03
CN(C(=O)C12CCCC1CC(=O)CC2)C1=N[N-]N=N1	REAL250004626923	0	35	-1.0	-48.77	257.99	5.38	-43.39
CN(C(=O)C12CCCC1CC(=O)CC2)C1=NN=N[N-]1	REAL250004626923	1	35	-1.0	-48.90	257.87	5.41	-43.49
CN(C(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL250004626924	0	31	-1.0	-49.05	261.71	3.36	-45.69
CN(C(=O)C1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL250004626924	1	31	-1.0	-48.95	261.85	3.36	-45.59
CC(C)N1CC(C(=O)N(C)C2=N[N-]N=N2)CCC1=O	REAL250004626925	0	36	-1.0	-45.80	277.64	4.74	-41.06
CC(C)N1CC(C(=O)N(C)C2=NN=N[N-]2)CCC1=O	REAL250004626925	1	36	-1.0	-45.88	277.51	4.77	-41.11
CN(C(=O)C1=CC=C2CNC(=O)C2=C1)C1=NN=N[N-]1	REAL250004626926	0	28	-1.0	-53.67	245.23	2.40	-51.27
CN(C(=O)C1=CC=C2CNC(=O)C2=C1)C1=N[N-]N=N1	REAL250004626926	1	28	-1.0	-53.62	245.37	2.40	-51.22
CCOC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004626927	0	28	-1.0	-48.58	268.53	4.64	-43.94
CCOC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004626927	1	28	-1.0	-48.53	268.67	4.61	-43.92
C[C@@H](CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004626928	0	35	-1.0	-48.96	290.73	5.86	-43.10
C[C@@H](CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004626928	1	35	-1.0	-49.02	290.60	5.87	-43.15
CN(C(=O)CC1CCCC2(CCC2)O1)C1=N[N-]N=N1	REAL250004626929	0	37	-1.0	-52.17	288.73	6.69	-45.48
CN(C(=O)CC1CCCC2(CCC2)O1)C1=NN=N[N-]1	REAL250004626929	1	37	-1.0	-52.30	288.59	6.71	-45.59
CN(C(=O)C1(C(F)(F)F)CCCCO1)C1=N[N-]N=N1	REAL250004626930	0	30	-1.0	-42.35	244.08	4.22	-38.13
CN(C(=O)C1(C(F)(F)F)CCCCO1)C1=NN=N[N-]1	REAL250004626930	1	30	-1.0	-42.42	243.94	4.24	-38.18
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004626931	0	34	-1.0	-47.12	285.67	6.06	-41.06
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004626931	1	34	-1.0	-47.14	285.53	6.07	-41.07
CC1=NN(C(C)C)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626932	0	35	-1.0	-47.53	295.31	5.55	-41.98
CC1=NN(C(C)C)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626932	1	35	-1.0	-47.42	295.46	5.54	-41.88
CN(C(=O)C1=CON=C1C1CCCO1)C1=N[N-]N=N1	REAL250004626933	0	30	-1.0	-48.25	257.84	3.40	-44.85
CN(C(=O)C1=CON=C1C1CCCO1)C1=NN=N[N-]1	REAL250004626933	1	30	-1.0	-48.36	257.70	3.43	-44.93
CN(C(=O)C1CNC(=O)CC12CCC2)C1=N[N-]N=N1	REAL250004626934	0	34	-1.0	-31.92	263.44	3.21	-28.71
CN(C(=O)C1CNC(=O)CC12CCC2)C1=NN=N[N-]1	REAL250004626934	1	34	-1.0	-31.93	263.27	3.22	-28.71
COC1C[C@@H]2CC(C(=O)N(C)C3=N[N-]N=N3)C[C@H]12	REAL250004626935	0	34	-1.0	-48.07	270.02	4.88	-43.19
COC1C[C@@H]2CC(C(=O)N(C)C3=NN=N[N-]3)C[C@H]12	REAL250004626935	1	34	-1.0	-48.17	269.88	4.90	-43.27
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004626936	0	29	-1.0	-52.19	253.60	6.14	-46.05
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004626936	1	29	-1.0	-52.08	253.74	6.13	-45.95
CN(C(=O)CC12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL250004626937	0	39	-1.0	-47.52	284.40	7.28	-40.24
CN(C(=O)CC12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL250004626937	1	39	-1.0	-47.59	284.27	7.31	-40.28
CN(C(=O)CN1C=C(C2CCOC2)C=N1)C1=NN=N[N-]1	REAL250004626938	0	34	-1.0	-54.92	286.91	4.05	-50.87
CN(C(=O)CN1C=C(C2CCOC2)C=N1)C1=N[N-]N=N1	REAL250004626938	1	34	-1.0	-54.86	287.05	4.03	-50.83
CCC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626939	0	34	-1.0	-54.62	283.76	6.25	-48.37
CCC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626939	1	34	-1.0	-54.59	283.90	6.24	-48.35
CN(C(=O)C1=C2C=CSC2=CC=C1)C1=NN=N[N-]1	REAL250004626940	0	26	-1.0	-50.16	235.13	6.23	-43.93
CN(C(=O)C1=C2C=CSC2=CC=C1)C1=N[N-]N=N1	REAL250004626940	1	26	-1.0	-50.08	235.27	6.22	-43.86
CN(C(=O)C1=CC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL250004626941	0	23	-1.0	-45.41	232.10	4.84	-40.57
CN(C(=O)C1=CC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL250004626941	1	23	-1.0	-45.53	231.95	4.85	-40.68
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL250004626942	0	30	-1.0	-48.88	269.96	-1.99	-50.87
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL250004626942	1	30	-1.0	-48.77	270.11	-2.00	-50.77
CN(C(=O)C1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL250004626943	0	34	-1.0	-50.66	286.00	6.72	-43.94
CN(C(=O)C1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL250004626943	1	34	-1.0	-50.58	286.13	6.74	-43.84
CSC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL250004626944	0	27	-1.0	-47.18	259.22	6.45	-40.73
CSC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL250004626944	1	27	-1.0	-47.10	259.36	6.44	-40.66
CN(C(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NN=N[N-]1	REAL250004626945	0	29	-1.0	-49.80	254.41	6.41	-43.39
CN(C(=O)C1=CC=CC(C(C)(F)F)=C1)C1=N[N-]N=N1	REAL250004626945	1	29	-1.0	-49.72	254.56	6.42	-43.30
CN(C(=O)C1=CC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL250004626946	0	26	-1.0	-48.92	239.94	6.30	-42.62
CN(C(=O)C1=CC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL250004626946	1	26	-1.0	-48.85	240.08	6.30	-42.55
CN(C(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=NN=N[N-]1	REAL250004626947	0	33	-1.0	-54.32	285.48	3.63	-50.69
CN(C(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=N[N-]N=N1	REAL250004626947	1	33	-1.0	-54.24	285.62	3.60	-50.64
CC1=NC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004626948	0	34	-1.0	-46.72	276.04	5.34	-41.38
CC1=NC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004626948	1	34	-1.0	-46.76	275.90	5.36	-41.40
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004626949	0	29	-1.0	-49.35	270.56	5.72	-43.63
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004626949	1	29	-1.0	-49.42	270.42	5.76	-43.66
CCC1=NC=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004626950	0	37	-1.0	-46.59	297.39	5.93	-40.66
CCC1=NC=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004626950	1	37	-1.0	-46.69	297.26	5.96	-40.73
CN(C(=O)C(F)(F)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626951	0	27	-1.0	-42.16	244.92	5.89	-36.27
CN(C(=O)C(F)(F)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626951	1	27	-1.0	-42.20	244.78	5.92	-36.28
CC1=CN(CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)N=C1	REAL250004626952	0	36	-1.0	-53.79	307.74	7.24	-46.55
CC1=CN(CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)N=C1	REAL250004626952	1	36	-1.0	-53.71	307.89	7.24	-46.47
CN(C(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626953	0	37	-1.0	-48.93	279.25	7.27	-41.66
CN(C(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626953	1	37	-1.0	-49.00	279.07	7.25	-41.75
CN(C(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004626954	0	37	-1.0	-53.42	292.28	7.15	-46.27
CN(C(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004626954	1	37	-1.0	-53.52	292.14	7.16	-46.36
CN(C(=O)C1(C)CCCNS1(=O)=O)C1=N[N-]N=N1	REAL250004626955	0	31	-1.0	-53.27	249.96	0.39	-52.88
CN(C(=O)C1(C)CCCNS1(=O)=O)C1=NN=N[N-]1	REAL250004626955	1	31	-1.0	-53.32	249.82	0.41	-52.91
CN(C(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NN=N[N-]1	REAL250004626956	0	37	-1.0	-57.38	297.35	6.84	-50.54
CN(C(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=N[N-]N=N1	REAL250004626956	1	37	-1.0	-57.28	297.49	6.83	-50.45
CN(C(=O)CCC=CBr)C1=N[N-]N=N1	REAL250004626957	0	23	-1.0	-45.57	225.64	5.02	-40.55
CN(C(=O)CCC=CBr)C1=NN=N[N-]1	REAL250004626957	1	23	-1.0	-45.64	225.50	5.06	-40.58
CC1=CC(F)=CC(C(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626958	0	32	-1.0	-50.28	268.70	6.96	-43.32
CC1=CC(F)=CC(C(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626958	1	32	-1.0	-50.37	268.56	6.98	-43.39
CN(C(=O)CC(C1=CC=CC=C1F)C(F)F)C1=N[N-]N=N1	REAL250004626959	0	32	-1.0	-47.13	278.70	7.34	-39.79
CN(C(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NN=N[N-]1	REAL250004626959	1	32	-1.0	-47.18	278.56	7.37	-39.81
CN(C(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL250004626960	0	30	-1.0	-57.76	271.36	6.81	-50.95
CN(C(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL250004626960	1	30	-1.0	-57.85	271.23	6.84	-51.01
CN(C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL250004626961	0	30	-1.0	-53.76	263.49	7.13	-46.63
CN(C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL250004626961	1	30	-1.0	-53.87	263.34	7.13	-46.74
CC1=NC(C2CC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626962	0	31	-1.0	-42.53	265.61	5.14	-37.39
CC1=NC(C2CC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626962	1	31	-1.0	-42.47	265.76	5.14	-37.33
CC1=NN=C(CCC(=O)N(C)C2=N[N-]N=N2)N1C	REAL250004626963	0	31	-1.0	-52.11	266.66	5.62	-46.49
CC1=NN=C(CCC(=O)N(C)C2=NN=N[N-]2)N1C	REAL250004626963	1	31	-1.0	-52.17	266.53	5.64	-46.53
CN(C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL250004626964	0	34	-1.0	-50.38	258.19	4.60	-45.78
CN(C(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL250004626964	1	34	-1.0	-50.48	258.05	4.62	-45.86
CN(C(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL250004626965	0	31	-1.0	-48.02	249.38	6.42	-41.60
CN(C(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL250004626965	1	31	-1.0	-48.16	249.25	6.45	-41.71
CN(C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL250004626966	0	33	-1.0	-49.93	279.25	5.94	-43.99
CN(C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL250004626966	1	33	-1.0	-49.86	279.38	5.92	-43.94
CN(C(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL250004626967	0	38	-1.0	-50.50	284.87	4.28	-46.22
CN(C(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL250004626967	1	38	-1.0	-50.61	284.73	4.31	-46.30
CN(C(=O)C1=CC=NC2=NC=CN=C12)C1=NN=N[N-]1	REAL250004626968	0	26	-1.0	-56.32	232.05	2.69	-53.63
CN(C(=O)C1=CC=NC2=NC=CN=C12)C1=N[N-]N=N1	REAL250004626968	1	26	-1.0	-56.28	232.19	2.70	-53.58
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004626969	0	26	-1.0	-47.08	258.97	6.40	-40.68
CN(C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004626969	1	26	-1.0	-47.18	258.82	6.41	-40.77
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL250004626970	0	34	-1.0	-49.60	285.10	7.81	-41.79
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL250004626970	1	34	-1.0	-49.67	284.96	7.83	-41.84
CN(C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL250004626971	0	29	-1.0	-57.75	263.52	-1.27	-59.02
CN(C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL250004626971	1	29	-1.0	-57.60	263.66	-1.29	-58.89
CN(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL250004626972	0	30	-1.0	-50.21	243.06	5.93	-44.28
CN(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL250004626972	1	30	-1.0	-50.28	242.93	5.96	-44.32
CC1=NN(C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004626973	0	33	-1.0	-60.78	281.64	7.18	-53.60
CC1=NN(C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004626973	1	33	-1.0	-60.72	281.78	7.16	-53.56
CN(C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=NN=N[N-]1	REAL250004626974	0	37	-1.0	-53.87	293.20	6.21	-47.66
CN(C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=N[N-]N=N1	REAL250004626974	1	37	-1.0	-53.81	293.34	6.19	-47.62
CN(C(=O)C12CC(C)(C1)OC21CCC1)C1=N[N-]N=N1	REAL250004626975	0	35	-1.0	-45.96	267.17	4.95	-41.01
CN(C(=O)C12CC(C)(C1)OC21CCC1)C1=NN=N[N-]1	REAL250004626975	1	35	-1.0	-46.05	267.03	4.98	-41.07
CN(C(=O)C12CC(C)(C1)OC21CCOCC1)C1=N[N-]N=N1	REAL250004626976	0	39	-1.0	-48.25	288.50	3.60	-44.65
CN(C(=O)C12CC(C)(C1)OC21CCOCC1)C1=NN=N[N-]1	REAL250004626976	1	39	-1.0	-48.30	288.36	3.63	-44.67
CN(C(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL250004626977	0	31	-1.0	-51.40	264.08	2.70	-48.70
CN(C(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL250004626977	1	31	-1.0	-51.41	263.94	2.73	-48.68
CN(C(=O)C1=NNC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004626978	0	26	-1.0	-51.67	237.61	4.34	-47.33
CN(C(=O)C1=NNC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004626978	1	26	-1.0	-51.59	237.76	4.32	-47.27
CN(C(=O)C1(C2CCOCC2)CCOCC1)C1=N[N-]N=N1	REAL250004626979	0	41	-1.0	-54.38	283.68	3.38	-51.00
CN(C(=O)C1(C2CCOCC2)CCOCC1)C1=NN=N[N-]1	REAL250004626979	1	41	-1.0	-54.50	283.55	3.41	-51.09
CN(C(=O)C1=CC=CC=C1C1CC1(F)F)C1=NN=N[N-]1	REAL250004626980	0	30	-1.0	-51.32	262.35	7.15	-44.17
CN(C(=O)C1=CC=CC=C1C1CC1(F)F)C1=N[N-]N=N1	REAL250004626980	1	30	-1.0	-51.22	262.49	7.14	-44.08
CN(C(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL250004626981	0	27	-1.0	-42.84	249.52	3.60	-39.24
CN(C(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL250004626981	1	27	-1.0	-42.93	249.39	3.61	-39.32
CN(C(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004626982	0	27	-1.0	-45.93	248.87	3.79	-42.14
CN(C(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004626982	1	27	-1.0	-46.00	248.73	3.79	-42.21
CCC1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004626983	0	29	-1.0	-42.35	272.02	4.67	-37.68
CCC1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004626983	1	29	-1.0	-42.44	271.88	4.68	-37.76
CN(C(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL250004626984	0	27	-1.0	-48.93	254.80	6.54	-42.39
CN(C(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL250004626984	1	27	-1.0	-48.99	254.67	6.56	-42.43
CN(C(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004626985	0	30	-1.0	-36.36	256.10	3.21	-33.15
CN(C(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004626985	1	30	-1.0	-36.41	256.19	3.17	-33.24
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626986	0	34	-1.0	-42.44	291.02	5.79	-36.65
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626986	1	34	-1.0	-42.53	290.89	5.79	-36.74
CCC1=NC(C)=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=N1	REAL250004626987	0	33	-1.0	-42.00	281.90	4.73	-37.27
CCC1=NC(C)=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=N1	REAL250004626987	1	33	-1.0	-41.93	282.03	4.73	-37.20
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004626988	0	29	-1.0	-49.68	274.29	5.82	-43.86
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004626988	1	29	-1.0	-49.73	274.15	5.85	-43.88
CN(C(=O)C1(C2CCCCO2)CC1)C1=N[N-]N=N1	REAL250004626989	0	34	-1.0	-50.96	267.99	5.33	-45.63
CN(C(=O)C1(C2CCCCO2)CC1)C1=NN=N[N-]1	REAL250004626989	1	34	-1.0	-51.04	267.86	5.34	-45.70
CN(C(=O)C1=CC(C2CC2)=NNC1=O)C1=NN=N[N-]1	REAL250004626990	0	29	-1.0	-50.40	257.21	2.85	-47.55
CN(C(=O)C1=CC(C2CC2)=NNC1=O)C1=N[N-]N=N1	REAL250004626990	1	29	-1.0	-50.29	257.35	2.84	-47.45
CC1=CC(C)=C2NC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C1	REAL250004626991	0	33	-1.0	-45.77	276.73	6.84	-38.93
CC1=CC(C)=C2NC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C1	REAL250004626991	1	33	-1.0	-45.70	276.87	6.80	-38.90
CC1=NC2=C(NC(C(=O)N(C)C3=NN=N[N-]3)=C2)S1	REAL250004626992	0	26	-1.0	-46.58	241.19	3.42	-43.16
CC1=NC2=C(NC(C(=O)N(C)C3=N[N-]N=N3)=C2)S1	REAL250004626992	1	26	-1.0	-46.52	241.34	3.42	-43.10
CN(C(=O)C1=NNC2=C1COC2(C)C)C1=NN=N[N-]1	REAL250004626993	0	31	-1.0	-47.99	263.07	2.60	-45.39
CN(C(=O)C1=NNC2=C1COC2(C)C)C1=N[N-]N=N1	REAL250004626993	1	31	-1.0	-47.96	263.21	2.59	-45.37
CN(C(=O)C1=NNC(C2CCOCC2)=C1)C1=N[N-]N=N1	REAL250004626994	0	34	-1.0	-47.69	280.08	3.49	-44.20
CN(C(=O)C1=NNC(C2CCOCC2)=C1)C1=NN=N[N-]1	REAL250004626994	1	34	-1.0	-47.75	279.94	3.50	-44.25
CN(C(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL250004626995	0	33	-1.0	-47.04	267.25	5.35	-41.69
CN(C(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL250004626995	1	33	-1.0	-46.91	267.39	5.33	-41.58
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL250004626996	0	41	-1.0	-45.02	310.87	7.05	-37.97
CN(C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL250004626996	1	41	-1.0	-45.12	310.74	7.06	-38.06
CN(C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL250004626997	0	29	-1.0	-47.66	254.46	5.69	-41.97
CN(C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL250004626997	1	29	-1.0	-47.69	254.33	5.71	-41.98
CN(C(=O)CCN1C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004626998	0	32	-1.0	-49.37	278.85	7.17	-42.20
CN(C(=O)CCN1C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004626998	1	32	-1.0	-49.26	278.99	7.13	-42.13
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004626999	0	28	-1.0	-54.50	255.31	7.13	-47.37
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004626999	1	28	-1.0	-54.43	255.44	7.12	-47.31
CCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004627000	0	28	-1.0	-47.60	254.40	5.15	-42.45
CCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004627000	1	28	-1.0	-47.69	254.25	5.17	-42.52
CC1=NN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL250004627001	0	26	-1.0	-42.51	250.40	3.95	-38.56
CC1=NN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL250004627001	1	26	-1.0	-42.46	250.54	3.93	-38.53
CN(C(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL250004627002	0	29	-1.0	-59.23	273.30	3.06	-56.17
CN(C(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL250004627002	1	29	-1.0	-59.28	273.17	3.08	-56.20
COC1=CC=C2C=C(C(=O)N(C)C3=NN=N[N-]3)N=C2N1	REAL250004627003	0	30	-1.0	-61.04	261.76	4.05	-56.99
COC1=CC=C2C=C(C(=O)N(C)C3=N[N-]N=N3)N=C2N1	REAL250004627003	1	30	-1.0	-60.95	261.91	4.01	-56.94
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004627004	0	29	-1.0	-47.14	268.78	5.40	-41.74
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004627004	1	29	-1.0	-47.22	268.64	5.40	-41.82
CN(C(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NN=N[N-]1	REAL250004627005	0	26	-1.0	-55.73	251.13	5.28	-50.45
CN(C(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=N[N-]N=N1	REAL250004627005	1	26	-1.0	-55.63	251.28	5.26	-50.37
COC1=CC=NC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004627006	0	26	-1.0	-55.41	233.37	3.63	-51.78
COC1=CC=NC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004627006	1	26	-1.0	-55.34	233.51	3.63	-51.71
CN(C(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL250004627007	0	27	-1.0	-48.21	265.12	6.98	-41.23
CN(C(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL250004627007	1	27	-1.0	-48.30	264.99	7.01	-41.29
COCC1=CN=C(OC)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627008	0	33	-1.0	-51.12	281.55	2.44	-48.68
COCC1=CN=C(OC)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627008	1	33	-1.0	-51.09	281.70	2.45	-48.64
CC1=CC=C2C(=C1)C=CN2CCC(=O)N(C)C1=N[N-]N=N1	REAL250004627009	0	36	-1.0	-45.75	305.44	8.64	-37.11
CC1=CC=C2C(=C1)C=CN2CCC(=O)N(C)C1=NN=N[N-]1	REAL250004627009	1	36	-1.0	-45.79	305.31	8.67	-37.12
COC1=CC=C(C(C)=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627010	0	34	-1.0	-46.59	288.24	6.59	-40.00
COC1=CC=C(C(C)=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627010	1	34	-1.0	-46.49	288.38	6.60	-39.89
CN(C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL250004627011	0	32	-1.0	-48.13	271.21	5.21	-42.92
CN(C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL250004627011	1	32	-1.0	-48.06	271.34	5.22	-42.84
COC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627012	0	32	-1.0	-52.75	270.37	4.14	-48.61
COC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627012	1	32	-1.0	-52.69	270.51	4.12	-48.57
CC1=CC(=O)N(CCC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004627013	0	31	-1.0	-52.33	271.71	5.37	-46.96
CC1=CC(=O)N(CCC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004627013	1	31	-1.0	-52.42	271.57	5.41	-47.01
CN(C(=O)C1=C2OC=CC2=CC=C1Cl)C1=NN=N[N-]1	REAL250004627014	0	26	-1.0	-53.22	252.49	5.93	-47.29
CN(C(=O)C1=C2OC=CC2=CC=C1Cl)C1=N[N-]N=N1	REAL250004627014	1	26	-1.0	-53.15	252.63	5.92	-47.23
CC1=CSC2=C(C(=O)N(C)C3=NN=N[N-]3)N=CN=C12	REAL250004627015	0	27	-1.0	-45.64	250.62	5.96	-39.68
CC1=CSC2=C(C(=O)N(C)C3=N[N-]N=N3)N=CN=C12	REAL250004627015	1	27	-1.0	-45.53	250.76	5.94	-39.59
CN(C(=O)CC1=NN=C2COCCN12)C1=N[N-]N=N1	REAL250004627016	0	30	-1.0	-55.38	258.91	3.43	-51.95
CN(C(=O)CC1=NN=C2COCCN12)C1=NN=N[N-]1	REAL250004627016	1	30	-1.0	-55.48	258.78	3.46	-52.02
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL250004627017	0	25	-1.0	-40.75	246.92	4.13	-36.62
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL250004627017	1	25	-1.0	-40.66	247.06	4.13	-36.53
CN(C(=O)C1=CC(Br)=CC=C1N)C1=NN=N[N-]1	REAL250004627018	0	25	-1.0	-43.52	237.38	3.65	-39.87
CN(C(=O)C1=CC(Br)=CC=C1N)C1=N[N-]N=N1	REAL250004627018	1	25	-1.0	-43.49	237.52	3.63	-39.86
CN(C(=O)C1=CC(Cl)=CC=C1N)C1=NN=N[N-]1	REAL250004627019	0	25	-1.0	-43.77	232.82	3.55	-40.22
CN(C(=O)C1=CC(Cl)=CC=C1N)C1=N[N-]N=N1	REAL250004627019	1	25	-1.0	-43.72	232.96	3.52	-40.20
CN(C(=O)C1=CC=CC(Cl)=C1N)C1=NN=N[N-]1	REAL250004627020	0	25	-1.0	-44.54	230.48	3.62	-40.92
CN(C(=O)C1=CC=CC(Cl)=C1N)C1=N[N-]N=N1	REAL250004627020	1	25	-1.0	-44.46	230.62	3.59	-40.87
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL250004627021	0	28	-1.0	-44.71	250.32	4.20	-40.51
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL250004627021	1	28	-1.0	-44.64	250.46	4.18	-40.46
CN(C(=O)C1=CC(F)=C(F)C=C1N)C1=NN=N[N-]1	REAL250004627022	0	25	-1.0	-41.39	228.53	3.17	-38.22
CN(C(=O)C1=CC(F)=C(F)C=C1N)C1=N[N-]N=N1	REAL250004627022	1	25	-1.0	-41.31	228.67	3.17	-38.14
CN(C(=O)C1=CC=CC(Br)=C1N)C1=NN=N[N-]1	REAL250004627023	0	25	-1.0	-44.42	234.57	3.75	-40.67
CN(C(=O)C1=CC=CC(Br)=C1N)C1=N[N-]N=N1	REAL250004627023	1	25	-1.0	-44.38	234.72	3.73	-40.65
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NN=N[N-]1	REAL250004627024	0	25	-1.0	-41.71	245.32	4.10	-37.61
CN(C(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=N[N-]N=N1	REAL250004627024	1	25	-1.0	-41.63	245.47	4.10	-37.53
CC1=CC=C(F)C(N)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627025	0	28	-1.0	-44.77	247.37	3.62	-41.15
CC1=CC=C(F)C(N)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627025	1	28	-1.0	-44.72	247.51	3.61	-41.11
CC1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004627026	0	28	-1.0	-43.99	240.01	3.90	-40.09
CC1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004627026	1	28	-1.0	-43.91	240.15	3.89	-40.02
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NN=N[N-]1	REAL250004627027	0	28	-1.0	-43.88	254.48	4.06	-39.82
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=N[N-]N=N1	REAL250004627027	1	28	-1.0	-43.77	254.62	4.05	-39.72
CC1=CC(Cl)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004627028	0	28	-1.0	-43.69	250.32	4.34	-39.35
CC1=CC(Cl)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004627028	1	28	-1.0	-43.62	250.47	4.33	-39.29
CC1=CC(Cl)=C(N)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627029	0	28	-1.0	-43.71	251.62	4.28	-39.43
CC1=CC(Cl)=C(N)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627029	1	28	-1.0	-43.65	251.75	4.28	-39.37
CN(C(=O)C1=CC(Cl)=C(F)C=C1N)C1=NN=N[N-]1	REAL250004627030	0	25	-1.0	-41.13	238.39	3.61	-37.52
CN(C(=O)C1=CC(Cl)=C(F)C=C1N)C1=N[N-]N=N1	REAL250004627030	1	25	-1.0	-41.03	238.54	3.61	-37.42
CC1=C(F)C=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004627031	0	28	-1.0	-42.87	238.86	3.87	-39.00
CC1=C(F)C=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004627031	1	28	-1.0	-42.81	239.01	3.85	-38.96
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(N)=C1Cl	REAL250004627032	0	28	-1.0	-44.41	248.86	4.20	-40.21
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(N)=C1Cl	REAL250004627032	1	28	-1.0	-44.34	249.00	4.20	-40.14
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(N)C=C1F	REAL250004627033	0	28	-1.0	-42.61	242.50	3.76	-38.85
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(N)C=C1F	REAL250004627033	1	28	-1.0	-42.53	242.65	3.75	-38.78
CN(C(=O)C1=CC(F)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL250004627034	0	25	-1.0	-40.85	236.60	3.70	-37.15
CN(C(=O)C1=CC(F)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL250004627034	1	25	-1.0	-40.77	236.75	3.70	-37.07
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(N)=C1F	REAL250004627035	0	29	-1.0	-46.00	251.31	2.43	-43.57
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(N)=C1F	REAL250004627035	1	29	-1.0	-45.93	251.45	2.41	-43.52
COC1=C(F)C=C(C(=O)N(C)C2=NN=N[N-]2)C(N)=C1F	REAL250004627036	0	29	-1.0	-40.59	260.69	2.63	-37.96
COC1=C(F)C=C(C(=O)N(C)C2=N[N-]N=N2)C(N)=C1F	REAL250004627036	1	29	-1.0	-40.50	260.84	2.64	-37.86
CN(C(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NN=N[N-]1	REAL250004627037	0	25	-1.0	-41.17	247.68	4.02	-37.15
CN(C(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=N[N-]N=N1	REAL250004627037	1	25	-1.0	-41.05	247.83	4.02	-37.03
CN(C(=O)C1=CC=C(Cl)C(F)=C1N)C1=NN=N[N-]1	REAL250004627038	0	25	-1.0	-42.00	237.42	3.65	-38.35
CN(C(=O)C1=CC=C(Cl)C(F)=C1N)C1=N[N-]N=N1	REAL250004627038	1	25	-1.0	-41.93	237.56	3.64	-38.29
CC1=C(F)C=CC(N)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627039	0	28	-1.0	-45.16	247.21	3.57	-41.59
CC1=C(F)C=CC(N)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627039	1	28	-1.0	-45.09	247.35	3.55	-41.54
CN(C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL250004627040	0	28	-1.0	-52.97	265.02	5.93	-47.04
CN(C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL250004627040	1	28	-1.0	-52.92	265.16	5.90	-47.02
CN(C(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL250004627041	0	45	-1.0	-46.79	343.94	7.24	-39.55
CN(C(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL250004627041	1	45	-1.0	-46.82	343.80	7.27	-39.55
CN(C(=O)C1(CC2=NNN=C2)CCOCC1)C1=N[N-]N=N1	REAL250004627042	0	36	-1.0	-56.57	276.56	1.69	-54.88
CN(C(=O)C1(CC2=NNN=C2)CCOCC1)C1=NN=N[N-]1	REAL250004627042	1	36	-1.0	-56.70	276.43	1.70	-55.00
CN(C(=O)C1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004627043	0	31	-1.0	-46.06	262.57	4.14	-41.92
CN(C(=O)C1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004627043	1	31	-1.0	-46.15	262.44	4.15	-42.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL250004627044	0	30	-1.0	-44.59	258.17	6.26	-38.33
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL250004627044	1	30	-1.0	-44.51	258.32	6.24	-38.27
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627045	0	30	-1.0	-47.30	269.90	7.02	-40.28
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627045	1	30	-1.0	-47.40	269.75	7.01	-40.39
CN(C(=O)C=CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627046	0	31	-1.0	-50.35	272.15	6.17	-44.18
CN(C(=O)C=CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627046	1	31	-1.0	-50.47	272.01	6.20	-44.27
CN(C(=O)C1=C(CN2CCOCC2)C=CO1)C1=N[N-]N=N1	REAL250004627047	0	36	-1.0	-48.27	295.33	2.61	-45.66
CN(C(=O)C1=C(CN2CCOCC2)C=CO1)C1=NN=N[N-]1	REAL250004627047	1	36	-1.0	-48.33	295.19	2.61	-45.72
CN(C(=O)CC1CC(=O)NC(=O)C1)C1=N[N-]N=N1	REAL250004627048	0	29	-1.0	-55.87	248.90	1.53	-54.34
CN(C(=O)CC1CC(=O)NC(=O)C1)C1=NN=N[N-]1	REAL250004627048	1	29	-1.0	-55.94	248.76	1.55	-54.39
CN(C(=O)CC1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL250004627049	0	27	-1.0	-47.42	245.91	3.24	-44.18
CN(C(=O)CC1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL250004627049	1	27	-1.0	-47.51	245.77	3.28	-44.23
CN(C(=O)C1CC2CC(O)CC(C2)C1)C1=N[N-]N=N1	REAL250004627050	0	37	-1.0	-50.61	266.96	3.76	-46.85
CN(C(=O)C1CC2CC(O)CC(C2)C1)C1=NN=N[N-]1	REAL250004627050	1	37	-1.0	-50.68	266.82	3.78	-46.90
CN(C(=O)C1=NNC(C2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL250004627051	0	29	-1.0	-48.50	258.62	3.81	-44.69
CN(C(=O)C1=NNC(C2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL250004627051	1	29	-1.0	-48.40	258.78	3.80	-44.60
CC1=CN2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004627052	0	33	-1.0	-45.92	266.77	5.73	-40.19
CC1=CN2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004627052	1	33	-1.0	-46.00	266.63	5.75	-40.25
CN(C(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NN=N[N-]1	REAL250004627053	0	25	-1.0	-45.44	240.56	5.11	-40.33
CN(C(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=N[N-]N=N1	REAL250004627053	1	25	-1.0	-45.36	240.71	5.11	-40.25
CN(C(=O)C1=CN=CC(Br)=C1N)C1=N[N-]N=N1	REAL250004627054	0	24	-1.0	-41.24	230.17	1.81	-39.43
CN(C(=O)C1=CN=CC(Br)=C1N)C1=NN=N[N-]1	REAL250004627054	1	24	-1.0	-41.30	230.03	1.84	-39.46
CN(C(=O)C1=CC(=O)NC2=C1CCCN2)C1=NN=N[N-]1	REAL250004627055	1	32	-1.0	-52.78	269.57	2.75	-50.03
CN(C(=O)CCN1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004627056	0	38	-1.0	-48.63	299.93	6.45	-42.18
CN(C(=O)CCN1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004627056	1	38	-1.0	-48.69	299.80	6.48	-42.21
CC1=NC=C2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004627057	1	29	-1.0	-45.27	258.18	6.39	-38.88
CN(C(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=NN=N[N-]1	REAL250004627058	0	32	-1.0	-48.64	269.63	5.41	-43.23
CN(C(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=N[N-]N=N1	REAL250004627058	1	32	-1.0	-48.57	269.76	5.40	-43.17
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004627059	0	26	-1.0	-46.40	247.36	4.93	-41.47
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004627059	1	26	-1.0	-46.53	247.22	4.94	-41.59
CN(C(=O)C1(C2=CC=C(O)C=C2)CC1)C1=NN=N[N-]1	REAL250004627060	0	31	-1.0	-49.83	265.38	4.04	-45.79
CN(C(=O)C1(C2=CC=C(O)C=C2)CC1)C1=N[N-]N=N1	REAL250004627060	1	31	-1.0	-49.75	265.52	4.01	-45.74
CN(C(=O)C1=CON=C1C1(C)COC1)C1=NN=N[N-]1	REAL250004627062	0	30	-1.0	-44.62	258.67	2.92	-41.70
CN(C(=O)C1=CON=C1C1(C)COC1)C1=N[N-]N=N1	REAL250004627062	1	30	-1.0	-44.54	259.07	2.92	-41.62
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL250004627063	0	38	-1.0	-52.57	309.17	5.28	-47.29
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL250004627063	1	38	-1.0	-52.65	309.03	5.30	-47.35
CCN1CCOCC1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627064	0	35	-1.0	-47.83	271.17	1.98	-45.85
CCN1CCOCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627064	1	35	-1.0	-47.89	271.04	2.00	-45.89
CCOC(=O)CCC(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004627065	0	31	-1.0	-44.17	276.60	5.49	-38.68
CCOC(=O)CCC(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004627065	1	31	-1.0	-44.22	276.46	5.52	-38.70
COC1=CC(OC)=C(N)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627066	0	33	-1.0	-46.72	273.59	1.77	-44.95
COC1=CC(OC)=C(N)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627066	1	33	-1.0	-46.63	273.75	1.76	-44.87
COC(=O)C1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004627067	0	32	-1.0	-51.04	284.03	6.22	-44.82
COC(=O)C1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004627067	1	32	-1.0	-51.00	284.17	6.21	-44.79
C[C@H](C(=O)N(C)C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004627068	0	32	-1.0	-33.59	266.57	4.99	-28.60
C[C@H](C(=O)N(C)C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004627068	1	32	-1.0	-33.66	266.44	5.01	-28.65
CC1=CN(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)N=C1	REAL250004627069	0	33	-1.0	-57.81	283.26	6.78	-51.03
CC1=CN(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)N=C1	REAL250004627069	1	33	-1.0	-57.73	283.39	6.79	-50.94
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627070	0	32	-1.0	-45.93	274.42	7.09	-38.84
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627070	1	32	-1.0	-46.01	274.29	7.10	-38.91
CN(C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004627071	0	29	-1.0	-49.90	254.75	7.27	-42.63
CN(C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004627071	1	29	-1.0	-49.78	254.88	7.25	-42.53
CN(C(=O)C1=NC=C(Br)N1C)C1=NN=N[N-]1	REAL250004627072	0	23	-1.0	-41.71	224.19	4.80	-36.91
CN(C(=O)C1=NC=C(Br)N1C)C1=N[N-]N=N1	REAL250004627072	1	23	-1.0	-41.64	224.33	4.77	-36.87
CN(C(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL250004627073	0	27	-1.0	-44.40	244.04	4.68	-39.72
CN(C(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL250004627073	1	27	-1.0	-44.29	244.17	4.66	-39.63
CN(C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL250004627074	0	36	-1.0	-50.48	286.78	5.36	-45.12
CN(C(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL250004627074	1	36	-1.0	-50.59	286.65	5.38	-45.21
CCC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL250004627075	0	36	-1.0	-45.63	294.62	7.63	-38.00
CCC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL250004627075	1	36	-1.0	-45.52	294.76	7.61	-37.91
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL250004627076	0	36	-1.0	-45.94	287.41	7.29	-38.65
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL250004627076	1	36	-1.0	-45.85	287.55	7.28	-38.57
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL250004627077	0	39	-1.0	-44.52	321.94	7.47	-37.05
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL250004627077	1	39	-1.0	-44.46	322.09	7.46	-37.00
CC1=CC(CC2(C(=O)N(C)C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004627078	0	36	-1.0	-52.54	305.91	8.46	-44.08
CC1=CC(CC2(C(=O)N(C)C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004627078	1	36	-1.0	-52.65	305.77	8.47	-44.18
CC1=CC(F)=CC=C1CC1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627079	0	36	-1.0	-52.61	285.89	7.59	-45.02
CC1=CC(F)=CC=C1CC1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627079	1	36	-1.0	-52.69	285.77	7.59	-45.10
CN(C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL250004627080	0	36	-1.0	-50.41	287.20	7.94	-42.47
CN(C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL250004627080	1	36	-1.0	-50.46	287.07	7.96	-42.50
COC(=O)C1=NC=CC=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004627081	0	34	-1.0	-53.63	292.82	5.40	-48.23
COC(=O)C1=NC=CC=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL250004627081	1	34	-1.0	-53.55	292.95	5.36	-48.19
CNC(=O)C1=CN=CC(C=CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627082	0	33	-1.0	-54.67	290.44	2.96	-51.71
CNC(=O)C1=CN=CC(C=CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627082	1	33	-1.0	-54.82	290.29	2.98	-51.84
CN(C(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL250004627083	0	26	-1.0	-48.61	250.84	5.17	-43.44
CN(C(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL250004627083	1	26	-1.0	-48.71	250.70	5.18	-43.53
COC1=CC=C(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004627084	0	32	-1.0	-47.04	270.24	2.94	-44.10
COC1=CC=C(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004627084	1	32	-1.0	-46.97	270.38	2.93	-44.04
CN(C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004627085	0	32	-1.0	-50.31	277.53	6.79	-43.52
CN(C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004627085	1	32	-1.0	-50.25	277.68	6.78	-43.47
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627086	0	30	-1.0	-47.30	269.90	7.02	-40.28
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627086	1	30	-1.0	-47.40	269.75	7.01	-40.39
CN(C(=O)C1CCC(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL250004627087	0	34	-1.0	-39.65	281.44	0.50	-39.15
CN(C(=O)C1CCC(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL250004627087	1	34	-1.0	-39.72	281.31	0.53	-39.19
CN(C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL250004627088	0	29	-1.0	-44.31	265.48	6.35	-37.96
CN(C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL250004627088	1	29	-1.0	-44.24	265.62	6.35	-37.89
CN(C(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004627089	0	27	-1.0	-47.61	254.75	4.21	-43.40
CN(C(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004627089	1	27	-1.0	-47.66	254.61	4.23	-43.43
CC1=CC=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627090	0	29	-1.0	-42.11	258.29	6.59	-35.52
CC1=CC=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627090	1	29	-1.0	-42.12	258.15	6.63	-35.49
COC1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1OC	REAL250004627091	0	28	-1.0	-49.86	252.25	3.60	-46.26
COC1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1OC	REAL250004627091	1	28	-1.0	-49.76	252.40	3.61	-46.15
CSC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004627092	0	30	-1.0	-45.50	285.36	7.44	-38.06
CSC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004627092	1	30	-1.0	-45.58	285.23	7.47	-38.11
CC1=CC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004627093	0	31	-1.0	-46.38	264.78	5.85	-40.53
CC1=CC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004627093	1	31	-1.0	-46.27	264.92	5.85	-40.42
COC1=C(F)C=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004627094	0	27	-1.0	-50.47	245.51	4.44	-46.03
COC1=C(F)C=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004627094	1	27	-1.0	-50.43	245.65	4.44	-45.99
CN(C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL250004627095	0	29	-1.0	-47.24	256.96	4.77	-42.47
CN(C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL250004627095	1	29	-1.0	-47.18	257.10	4.76	-42.42
CN(C(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL250004627096	0	32	-1.0	-54.51	260.48	1.98	-52.53
CN(C(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL250004627096	1	32	-1.0	-54.59	260.34	2.00	-52.59
COC1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL250004627097	0	29	-1.0	-43.60	250.55	2.53	-41.07
COC1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL250004627097	1	29	-1.0	-43.50	250.70	2.53	-40.97
CCCC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627098	0	35	-1.0	-47.65	294.25	8.19	-39.46
CCCC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627098	1	35	-1.0	-47.74	294.11	8.22	-39.52
CC(C)N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004627099	0	32	-1.0	-56.51	262.70	5.22	-51.29
CC(C)N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004627099	1	32	-1.0	-56.43	262.84	5.22	-51.21
CN(C(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL250004627100	0	35	-1.0	-55.76	299.60	5.01	-50.75
CN(C(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL250004627100	1	35	-1.0	-55.87	299.46	5.04	-50.83
CC(C(=O)N(C)C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL250004627101	0	35	-1.0	-44.96	283.03	7.47	-37.49
CC(C(=O)N(C)C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL250004627101	1	35	-1.0	-45.03	282.90	7.50	-37.53
C=CC1(CC(=O)N(C)C2=N[N-]N=N2)CCOCC1	REAL250004627102	0	34	-1.0	-45.40	257.97	4.39	-41.01
C=CC1(CC(=O)N(C)C2=NN=N[N-]2)CCOCC1	REAL250004627102	1	34	-1.0	-45.48	257.84	4.42	-41.06
CN(C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL250004627103	0	30	-1.0	-56.91	269.18	7.15	-49.76
CN(C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL250004627103	1	30	-1.0	-56.81	269.33	7.14	-49.67
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627104	0	30	-1.0	-46.19	263.80	6.96	-39.23
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627104	1	30	-1.0	-46.09	263.95	6.96	-39.13
CCCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004627105	0	31	-1.0	-47.61	275.90	5.93	-41.68
CCCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004627105	1	31	-1.0	-47.66	275.75	5.95	-41.71
CN(C(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL250004627106	0	28	-1.0	-54.19	250.94	5.54	-48.65
CN(C(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL250004627106	1	28	-1.0	-54.12	251.08	5.54	-48.58
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL250004627107	0	32	-1.0	-51.48	286.88	5.44	-46.04
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL250004627107	1	32	-1.0	-51.57	286.74	5.47	-46.10
CN(C(=O)C1(C)CCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004627108	0	38	-1.0	-31.85	264.20	6.13	-25.72
CN(C(=O)C1(C)CCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004627108	1	38	-1.0	-31.85	264.07	6.14	-25.71
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627109	0	34	-1.0	-47.02	285.29	6.70	-40.32
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627109	1	34	-1.0	-46.95	285.43	6.69	-40.26
CN(C(=O)C1(C#N)CC1C(F)(F)F)C1=N[N-]N=N1	REAL250004627110	0	24	-1.0	-41.34	231.16	4.36	-36.98
CN(C(=O)C1(C#N)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004627110	1	24	-1.0	-41.43	231.02	4.40	-37.03
CN(C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL250004627111	0	26	-1.0	-50.99	251.20	4.25	-46.74
CN(C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL250004627111	1	26	-1.0	-50.92	251.34	4.23	-46.69
CN(C(=O)C12CC(F)(F)CC1CCCC2)C1=N[N-]N=N1	REAL250004627112	0	36	-1.0	-51.63	267.60	6.55	-45.08
CN(C(=O)C12CC(F)(F)CC1CCCC2)C1=NN=N[N-]1	REAL250004627112	1	36	-1.0	-51.76	267.47	6.57	-45.19
CC1=CC=CC(C2=NOC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL250004627113	0	32	-1.0	-41.69	282.37	6.89	-34.80
CC1=CC=CC(C2=NOC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL250004627113	1	32	-1.0	-41.64	282.50	6.87	-34.77
CN(C(=O)C(F)(F)C1=CN=NN1C)C1=NN=N[N-]1	REAL250004627114	0	25	-1.0	-40.34	231.67	2.26	-38.08
CN(C(=O)C(F)(F)C1=CN=NN1C)C1=N[N-]N=N1	REAL250004627114	1	25	-1.0	-40.33	231.80	2.24	-38.09
CN(C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL250004627115	0	38	-1.0	-32.52	264.70	3.33	-29.19
CN(C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL250004627115	1	38	-1.0	-32.52	264.57	3.35	-29.17
CC1CC(C(=O)N(C)C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL250004627116	0	40	-1.0	-62.05	319.06	5.85	-56.20
CC1CC(C(=O)N(C)C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL250004627116	1	40	-1.0	-62.15	318.92	5.87	-56.28
CN(C(=O)C1=CC2=NNC(=O)N2C=C1)C1=NN=N[N-]1	REAL250004627117	0	26	-1.0	-44.62	241.99	3.44	-41.18
CN(C(=O)C1=CC2=NNC(=O)N2C=C1)C1=N[N-]N=N1	REAL250004627117	1	26	-1.0	-44.55	242.12	3.45	-41.10
CN(C(=O)C1=CNN=C1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL250004627118	0	30	-1.0	-60.56	266.79	2.92	-57.64
CN(C(=O)C1=CNN=C1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL250004627118	1	30	-1.0	-60.43	266.93	2.89	-57.54
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL250004627119	0	33	-1.0	-45.71	272.95	6.85	-38.86
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL250004627119	1	33	-1.0	-45.66	273.09	6.83	-38.83
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004627120	0	34	-1.0	-49.05	285.60	7.02	-42.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004627120	1	34	-1.0	-48.97	285.73	6.99	-41.98
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004627121	0	37	-1.0	-49.59	304.34	7.71	-41.88
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004627121	1	37	-1.0	-49.53	304.48	7.69	-41.84
CN(C(=O)C12CCOC1CCOC2)C1=N[N-]N=N1	REAL250004627122	0	32	-1.0	-53.48	241.57	2.27	-51.21
CN(C(=O)C12CCOC1CCOC2)C1=NN=N[N-]1	REAL250004627122	1	32	-1.0	-53.59	241.44	2.28	-51.31
CC(=O)CC1(C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004627123	0	34	-1.0	-60.16	260.76	6.25	-53.91
CC(=O)CC1(C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004627123	1	34	-1.0	-60.29	260.62	6.25	-54.04
CN(C(=O)C(C1CC1)C1CCCO1)C1=N[N-]N=N1	REAL250004627124	0	34	-1.0	-45.25	268.95	5.33	-39.92
CN(C(=O)C(C1CC1)C1CCCO1)C1=NN=N[N-]1	REAL250004627124	1	34	-1.0	-45.31	268.81	5.36	-39.95
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)C1=NN=N[N-]1	REAL250004627125	0	32	-1.0	-48.48	279.28	6.80	-41.68
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)C1=N[N-]N=N1	REAL250004627125	1	32	-1.0	-48.40	279.43	6.79	-41.61
CCOC(=O)C12CC(C(=O)N(C)C3=N[N-]N=N3)(C1)OC2	REAL250004627126	0	34	-1.0	-46.27	289.10	4.77	-41.50
CCOC(=O)C12CC(C(=O)N(C)C3=NN=N[N-]3)(C1)OC2	REAL250004627126	1	34	-1.0	-46.38	288.97	4.78	-41.60
CN(C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL250004627127	0	42	-1.0	-47.07	315.66	6.50	-40.57
CN(C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL250004627127	1	42	-1.0	-47.17	315.53	6.52	-40.65
CN(C(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL250004627128	0	33	-1.0	-54.97	268.46	6.89	-48.08
CN(C(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL250004627128	1	33	-1.0	-55.05	268.33	6.91	-48.14
CN(C(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL250004627129	0	33	-1.0	-60.68	285.14	5.52	-55.16
CN(C(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL250004627129	1	33	-1.0	-60.57	285.28	5.48	-55.09
CN(C(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL250004627130	0	27	-1.0	-46.85	247.66	4.05	-42.80
CN(C(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL250004627130	1	27	-1.0	-46.90	247.53	4.07	-42.83
CN(C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL250004627131	0	30	-1.0	-49.93	256.73	2.01	-47.92
CN(C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL250004627131	1	30	-1.0	-49.83	256.87	1.99	-47.84
CN(C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627132	0	32	-1.0	-48.44	281.40	7.35	-41.09
CN(C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627132	1	32	-1.0	-48.51	281.27	7.37	-41.14
CN(C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004627133	0	29	-1.0	-53.90	260.25	5.65	-48.25
CN(C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004627133	1	29	-1.0	-53.83	260.39	5.63	-48.20
CN(C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL250004627134	0	27	-1.0	-55.88	250.93	0.97	-54.91
CN(C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL250004627134	1	27	-1.0	-55.97	250.80	1.01	-54.96
CN(C(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL250004627135	0	34	-1.0	-48.50	276.84	5.51	-42.99
CN(C(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL250004627135	1	34	-1.0	-48.46	276.98	5.51	-42.95
CN(C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL250004627136	0	29	-1.0	-44.08	265.65	4.08	-40.00
CN(C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL250004627136	1	29	-1.0	-44.02	265.79	4.07	-39.95
CN(C(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL250004627137	0	32	-1.0	-46.69	258.00	5.56	-41.13
CN(C(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL250004627137	1	32	-1.0	-46.56	258.14	5.56	-41.00
CC1=CC=CN2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL250004627138	0	29	-1.0	-52.18	247.09	5.30	-46.88
CC1=CC=CN2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL250004627138	1	29	-1.0	-52.09	247.22	5.29	-46.80
C=CCNC(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627139	0	34	-1.0	-50.68	292.35	4.58	-46.10
C=CCNC(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627139	1	34	-1.0	-50.60	292.49	4.59	-46.01
CN(C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL250004627140	0	32	-1.0	-48.10	283.47	6.82	-41.28
CN(C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL250004627140	1	32	-1.0	-48.03	283.61	6.81	-41.22
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL250004627141	0	33	-1.0	-45.70	273.14	6.85	-38.85
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL250004627141	1	33	-1.0	-45.64	273.28	6.83	-38.81
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL250004627142	0	30	-1.0	-43.55	268.48	6.69	-36.86
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL250004627142	1	30	-1.0	-43.54	268.62	6.68	-36.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL250004627143	0	30	-1.0	-43.81	258.17	6.26	-37.55
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL250004627143	1	30	-1.0	-43.70	258.31	6.24	-37.46
CC1=C2N=C(C(=O)N(C)C3=NN=N[N-]3)C=CN2N=C1	REAL250004627144	0	28	-1.0	-45.22	248.59	5.57	-39.65
CC1=C2N=C(C(=O)N(C)C3=N[N-]N=N3)C=CN2N=C1	REAL250004627144	1	28	-1.0	-45.15	248.73	5.55	-39.60
CN(C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004627145	0	26	-1.0	-52.47	244.65	5.89	-46.58
CN(C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004627145	1	26	-1.0	-52.57	244.51	5.89	-46.68
CN(C(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL250004627146	0	25	-1.0	-57.42	237.52	5.16	-52.26
CN(C(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL250004627146	1	25	-1.0	-57.34	237.64	5.15	-52.19
CN(C(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL250004627147	0	25	-1.0	-47.20	231.62	5.06	-42.14
CN(C(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL250004627147	1	25	-1.0	-47.14	231.75	5.04	-42.10
CN(C(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL250004627148	0	26	-1.0	-47.64	246.88	6.39	-41.25
CN(C(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL250004627148	1	26	-1.0	-47.55	247.02	6.37	-41.18
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004627149	0	36	-1.0	-49.91	298.99	8.98	-40.93
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004627149	1	36	-1.0	-49.83	299.12	8.99	-40.84
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627150	0	36	-1.0	-48.38	296.52	8.99	-39.39
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627150	1	36	-1.0	-48.30	296.65	8.98	-39.32
COC1=CC(OC)=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627151	0	31	-1.0	-50.34	272.40	4.04	-46.30
COC1=CC(OC)=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627151	1	31	-1.0	-50.27	272.54	4.05	-46.22
CN(C(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL250004627152	0	29	-1.0	-50.43	250.55	5.04	-45.39
CN(C(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL250004627152	1	29	-1.0	-50.47	250.42	5.08	-45.39
CN(C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627153	0	38	-1.0	-47.06	289.31	8.68	-38.38
CN(C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627153	1	38	-1.0	-47.14	289.19	8.70	-38.44
CN(C(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL250004627154	0	35	-1.0	-35.23	261.39	6.38	-28.85
CN(C(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL250004627154	1	35	-1.0	-35.21	261.12	6.44	-28.77
CC1=C(C#N)C(C(=O)N(C)C2=NN=N[N-]2)=C(C)S1	REAL250004627155	0	27	-1.0	-54.87	260.65	5.85	-49.02
CC1=C(C#N)C(C(=O)N(C)C2=N[N-]N=N2)=C(C)S1	REAL250004627155	1	27	-1.0	-54.81	260.79	5.84	-48.97
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004627156	0	28	-1.0	-58.95	252.97	7.16	-51.79
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004627156	1	28	-1.0	-58.90	253.11	7.16	-51.74
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL250004627157	0	35	-1.0	-49.79	302.11	8.65	-41.14
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL250004627157	1	35	-1.0	-49.75	302.25	8.64	-41.11
CN(C(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL250004627158	0	22	-1.0	-40.56	228.65	3.18	-37.38
CN(C(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL250004627158	1	22	-1.0	-40.46	228.79	3.16	-37.30
COC1=CC=C2NN=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL250004627159	0	30	-1.0	-55.00	260.58	3.57	-51.43
COC1=CC=C2NN=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL250004627159	1	30	-1.0	-54.94	260.73	3.54	-51.40
COC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL250004627160	0	34	-1.0	-46.77	281.30	5.48	-41.29
COC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL250004627160	1	34	-1.0	-46.70	281.44	5.46	-41.24
CN(C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL250004627161	0	32	-1.0	-45.12	280.50	7.36	-37.76
CN(C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL250004627161	1	32	-1.0	-45.21	280.37	7.38	-37.83
CC1CCC(CC(=O)N(C)C2=N[N-]N=N2)CC1C	REAL250004627162	0	38	-1.0	-47.38	277.30	6.99	-40.39
CC1CCC(CC(=O)N(C)C2=NN=N[N-]2)CC1C	REAL250004627162	1	38	-1.0	-47.41	277.17	7.00	-40.41
CN(C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=N[N-]N=N1	REAL250004627163	0	36	-1.0	-35.87	259.69	5.63	-30.24
CN(C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=NN=N[N-]1	REAL250004627163	1	36	-1.0	-35.89	259.57	5.64	-30.25
CN(C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=N[N-]N=N1	REAL250004627164	0	33	-1.0	-44.95	249.96	5.93	-39.02
CN(C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=NN=N[N-]1	REAL250004627164	1	33	-1.0	-45.03	249.83	5.96	-39.07
CN(C(=O)C1=CC=CC=C1CC(F)(F)F)C1=N[N-]N=N1	REAL250004627165	0	29	-1.0	-48.82	260.15	6.62	-42.20
CN(C(=O)C1=CC=CC=C1CC(F)(F)F)C1=NN=N[N-]1	REAL250004627165	1	29	-1.0	-48.91	260.03	6.62	-42.29
CN(C(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004627166	0	27	-1.0	-48.16	244.59	3.49	-44.67
CN(C(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004627166	1	27	-1.0	-48.07	244.73	3.49	-44.58
CCN(CCC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004627167	0	42	-1.0	-48.78	334.06	6.24	-42.54
CCN(CCC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004627167	1	42	-1.0	-48.84	333.93	6.27	-42.57
CN(C(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL250004627168	0	28	-1.0	-48.62	255.09	3.54	-45.08
CN(C(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL250004627168	1	28	-1.0	-48.57	255.22	3.50	-45.07
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004627169	0	29	-1.0	-40.01	257.62	6.36	-33.65
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004627169	1	29	-1.0	-40.10	257.48	6.40	-33.70
CN(C(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL250004627170	0	29	-1.0	-45.36	261.28	4.77	-40.59
CN(C(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL250004627170	1	29	-1.0	-45.30	261.42	4.73	-40.57
CN(C(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL250004627171	0	32	-1.0	-54.26	268.34	2.26	-52.00
CN(C(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL250004627171	1	32	-1.0	-54.37	268.20	2.29	-52.08
CN(C(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL250004627172	0	26	-1.0	-48.75	237.77	3.90	-44.85
CN(C(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL250004627172	1	26	-1.0	-48.70	237.91	3.87	-44.83
CC1=NN=NN1C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627173	0	34	-1.0	-58.82	291.78	5.70	-53.12
CC1=NN=NN1C(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627173	1	34	-1.0	-58.76	291.92	5.68	-53.08
CN(C(=O)C1CCCN1C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004627174	0	33	-1.0	-52.22	274.44	3.43	-48.79
CN(C(=O)C1CCCN1C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004627174	1	33	-1.0	-52.15	274.57	3.41	-48.74
CC1=CC=C(C=CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627175	0	33	-1.0	-49.44	282.31	7.96	-41.48
CC1=CC=C(C=CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627175	1	33	-1.0	-49.47	282.17	7.99	-41.48
CN(C(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL250004627176	1	28	-1.0	-51.94	258.56	0.73	-51.21
CN(C(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL250004627176	1	28	-1.0	-51.84	258.28	0.71	-51.13
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CC2(CCC2)C1	REAL250004627177	0	39	-1.0	-45.00	311.31	7.20	-37.80
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CC2(CCC2)C1	REAL250004627177	1	39	-1.0	-45.06	311.18	7.22	-37.84
CC(C)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1F	REAL250004627178	0	32	-1.0	-53.37	268.69	6.90	-46.47
CC(C)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1F	REAL250004627178	1	32	-1.0	-53.29	268.83	6.89	-46.40
CC(C)C1=CC=C(F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627179	0	32	-1.0	-51.16	266.23	6.86	-44.30
CC(C)C1=CC=C(F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627179	1	32	-1.0	-51.09	266.36	6.87	-44.22
CN(C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004627180	0	29	-1.0	-54.36	252.47	7.19	-47.17
CN(C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004627180	1	29	-1.0	-54.29	252.62	7.19	-47.10
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004627181	0	39	-1.0	-48.87	279.90	7.63	-41.24
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004627181	1	39	-1.0	-48.82	280.03	7.61	-41.21
CN(C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL250004627182	0	29	-1.0	-47.68	261.48	6.58	-41.10
CN(C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL250004627182	1	29	-1.0	-47.76	261.34	6.58	-41.18
CN(C(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL250004627183	0	24	-1.0	-45.37	225.33	2.95	-42.42
CN(C(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL250004627183	1	24	-1.0	-45.30	225.47	2.93	-42.37
COC1=CC=C(C#CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627184	0	29	-1.0	-46.38	267.29	5.97	-40.41
COC1=CC=C(C#CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627184	1	29	-1.0	-46.44	267.15	5.98	-40.46
CN(C(=O)C1=CON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627185	0	29	-1.0	-47.97	252.10	6.05	-41.92
CN(C(=O)C1=CON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627185	1	29	-1.0	-47.88	252.25	6.04	-41.84
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627186	0	37	-1.0	-50.93	297.97	8.55	-42.38
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627186	1	37	-1.0	-50.90	298.12	8.53	-42.37
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627187	0	37	-1.0	-51.01	298.47	8.53	-42.48
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627187	1	37	-1.0	-50.96	298.61	8.54	-42.42
CN(C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL250004627188	0	32	-1.0	-44.89	279.98	7.41	-37.48
CN(C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL250004627188	1	32	-1.0	-44.94	279.85	7.43	-37.51
CN(C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL250004627189	0	33	-1.0	-58.93	290.75	5.68	-53.25
CN(C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL250004627189	1	33	-1.0	-58.96	290.61	5.71	-53.25
CCN1C(C)=NN(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004627190	0	32	-1.0	-60.22	280.64	5.13	-55.09
CCN1C(C)=NN(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004627190	1	32	-1.0	-60.27	280.50	5.16	-55.11
CN(C(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL250004627191	0	25	-1.0	-52.89	247.74	-1.28	-54.17
CN(C(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL250004627191	1	25	-1.0	-52.97	247.59	-1.26	-54.23
CN(C(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL250004627192	0	31	-1.0	-47.04	261.43	2.50	-44.54
CN(C(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL250004627192	1	31	-1.0	-46.95	261.58	2.50	-44.45
CN(C(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL250004627193	0	28	-1.0	-55.81	249.70	2.38	-53.43
CN(C(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL250004627193	1	28	-1.0	-55.76	249.84	2.37	-53.39
CN(C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004627194	0	32	-1.0	-53.66	265.38	6.77	-46.89
CN(C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004627194	1	32	-1.0	-53.76	265.25	6.76	-47.00
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627195	0	34	-1.0	-50.92	287.65	5.53	-45.39
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627195	1	34	-1.0	-50.85	287.75	5.51	-45.34
COCC1(C(=O)N(C)C2=N[N-]N=N2)CC=CCC1	REAL250004627196	0	34	-1.0	-52.04	260.71	4.47	-47.57
COCC1(C(=O)N(C)C2=NN=N[N-]2)CC=CCC1	REAL250004627196	1	34	-1.0	-52.17	260.58	4.48	-47.69
CN(C(=O)C1CCOCC12CCCCC2)C1=N[N-]N=N1	REAL250004627197	0	40	-1.0	-31.62	278.57	5.49	-26.13
CN(C(=O)C1CCOCC12CCCCC2)C1=NN=N[N-]1	REAL250004627197	1	40	-1.0	-31.55	278.31	5.50	-26.05
CN(C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=N[N-]N=N1	REAL250004627198	0	32	-1.0	-52.39	271.17	7.10	-45.29
CN(C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=NN=N[N-]1	REAL250004627198	1	32	-1.0	-52.50	271.03	7.10	-45.40
CN(C(=O)C1(C2=CC=CC=C2)CCOC1)C1=NN=N[N-]1	REAL250004627199	0	34	-1.0	-50.43	267.41	5.07	-45.36
CN(C(=O)C1(C2=CC=CC=C2)CCOC1)C1=N[N-]N=N1	REAL250004627199	1	34	-1.0	-50.35	267.54	5.05	-45.30
CC1=CC=C(C2CCCCC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627200	0	42	-1.0	-48.60	320.76	9.23	-39.37
CC1=CC=C(C2CCCCC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627200	1	42	-1.0	-48.71	320.62	9.26	-39.45
CCC(C)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL250004627201	0	35	-1.0	-57.99	289.21	4.64	-53.35
CCC(C)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL250004627201	1	35	-1.0	-57.87	289.37	4.64	-53.23
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627202	0	33	-1.0	-48.79	287.33	7.37	-41.42
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627202	1	33	-1.0	-48.88	287.20	7.40	-41.48
CC1=CC=C(OC(C)C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004627203	0	36	-1.0	-50.43	291.98	7.54	-42.89
CC1=CC=C(OC(C)C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004627203	1	36	-1.0	-50.52	291.84	7.56	-42.96
CN(C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL250004627204	0	29	-1.0	-50.11	265.04	7.70	-42.41
CN(C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL250004627204	1	29	-1.0	-50.01	265.18	7.68	-42.33
CN(C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL250004627205	0	32	-1.0	-46.42	278.55	6.65	-39.77
CN(C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL250004627205	1	32	-1.0	-46.37	278.69	6.64	-39.73
COC(=O)C1=COC2=C1NC(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL250004627206	0	30	-1.0	-48.99	271.75	4.38	-44.61
COC(=O)C1=COC2=C1NC(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL250004627206	1	30	-1.0	-48.91	271.90	4.36	-44.55
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL250004627207	0	28	-1.0	-52.88	264.24	4.65	-48.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL250004627207	1	28	-1.0	-52.83	264.38	4.62	-48.21
CN(C(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL250004627208	0	34	-1.0	-50.86	290.83	7.83	-43.03
CN(C(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL250004627208	1	34	-1.0	-50.78	290.98	7.83	-42.95
COC(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL250004627209	0	32	-1.0	-50.68	272.39	6.16	-44.52
COC(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL250004627209	1	32	-1.0	-50.59	272.54	6.15	-44.44
C=CCCC(CC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627210	0	38	-1.0	-46.41	294.50	7.26	-39.15
C=CCCC(CC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627210	1	38	-1.0	-46.46	294.36	7.28	-39.18
CN(C(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL250004627211	0	33	-1.0	-39.91	267.11	4.67	-35.24
CN(C(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL250004627211	1	33	-1.0	-39.98	266.98	4.68	-35.30
CN(C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL250004627212	0	30	-1.0	-47.86	268.02	7.36	-40.50
CN(C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL250004627212	1	30	-1.0	-47.77	268.16	7.36	-40.41
CN(C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL250004627213	0	30	-1.0	-52.61	258.78	5.86	-46.75
CN(C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL250004627213	1	30	-1.0	-52.58	258.92	5.88	-46.70
CC(C)COC(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004627214	0	38	-1.0	-49.80	299.89	6.59	-43.21
CC(C)COC(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004627214	1	38	-1.0	-49.92	299.75	6.60	-43.32
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)N=CC2=NN1	REAL250004627215	0	28	-1.0	-51.61	247.34	3.54	-48.07
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)N=CC2=NN1	REAL250004627215	1	28	-1.0	-51.57	247.49	3.53	-48.04
CN(C(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004627216	0	26	-1.0	-53.96	248.26	6.47	-47.49
CN(C(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004627216	1	26	-1.0	-53.79	248.47	6.44	-47.35
CN(C(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL250004627217	0	34	-1.0	-50.37	297.71	8.45	-41.92
CN(C(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL250004627217	1	34	-1.0	-50.48	297.57	8.49	-41.99
CNC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627218	0	35	-1.0	-54.89	275.56	2.98	-51.91
CNC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627218	1	35	-1.0	-54.97	275.42	3.00	-51.97
CN(C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL250004627219	0	28	-1.0	-45.22	257.99	5.78	-39.44
CN(C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL250004627219	1	28	-1.0	-45.13	258.13	5.77	-39.36
CC1=CC2=CC=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627220	0	31	-1.0	-59.11	262.02	6.30	-52.81
CC1=CC2=CC=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627220	1	31	-1.0	-59.05	262.16	6.29	-52.76
CN(C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004627221	0	33	-1.0	-56.89	285.95	6.25	-50.64
CN(C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004627221	1	33	-1.0	-56.78	286.10	6.24	-50.54
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004627222	0	31	-1.0	-48.91	268.13	5.88	-43.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004627222	1	31	-1.0	-48.85	268.27	5.88	-42.97
COC1(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)COC1	REAL250004627223	0	35	-1.0	-52.89	282.25	4.20	-48.69
COC1(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)COC1	REAL250004627223	1	35	-1.0	-52.98	282.11	4.19	-48.79
CC(C)N1C=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004627224	0	36	-1.0	-55.00	293.57	8.02	-46.98
CC(C)N1C=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004627224	1	36	-1.0	-54.82	294.02	8.00	-46.82
CCC(CC(=O)N(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004627225	0	31	-1.0	-49.80	255.30	5.77	-44.03
CCC(CC(=O)N(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004627225	1	31	-1.0	-49.89	255.17	5.79	-44.10
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL250004627226	0	30	-1.0	-41.85	272.71	5.63	-36.22
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL250004627226	1	30	-1.0	-41.73	272.86	5.62	-36.11
CN(C(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL250004627227	0	23	-1.0	-49.27	228.64	5.53	-43.74
CN(C(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL250004627227	1	23	-1.0	-49.39	228.50	5.52	-43.87
COC(=O)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627228	0	32	-1.0	-53.60	278.57	6.34	-47.26
COC(=O)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627228	1	32	-1.0	-53.56	278.72	6.35	-47.21
CN(C(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL250004627229	0	25	-1.0	-38.95	234.13	3.25	-35.70
CN(C(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL250004627229	1	25	-1.0	-38.86	234.27	3.22	-35.64
CN(C(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004627230	0	40	-1.0	-55.66	315.23	4.90	-50.76
CN(C(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004627230	1	40	-1.0	-55.68	315.10	4.91	-50.77
CN(C(=O)C1=C(N)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL250004627231	0	25	-1.0	-43.72	240.37	3.20	-40.52
CN(C(=O)C1=C(N)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL250004627231	1	25	-1.0	-43.64	240.51	3.17	-40.47
CN(C(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL250004627232	0	27	-1.0	-49.57	238.35	4.30	-45.27
CN(C(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL250004627232	1	27	-1.0	-49.64	238.21	4.32	-45.32
CN(C(=O)C12CCN(CCC1)S2(=O)=O)C1=N[N-]N=N1	REAL250004627233	0	32	-1.0	-56.91	256.17	1.19	-55.72
CN(C(=O)C12CCN(CCC1)S2(=O)=O)C1=NN=N[N-]1	REAL250004627233	1	32	-1.0	-57.00	256.03	1.21	-55.79
CN(C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL250004627234	0	32	-1.0	-56.28	284.74	4.16	-52.12
CN(C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL250004627234	1	32	-1.0	-56.22	284.87	4.14	-52.08
CC1=CC=CC(C2(C(=O)N(C)C3=N[N-]N=N3)CC2(F)F)=C1	REAL250004627235	0	33	-1.0	-51.59	286.53	7.68	-43.91
CC1=CC=CC(C2(C(=O)N(C)C3=NN=N[N-]3)CC2(F)F)=C1	REAL250004627235	1	33	-1.0	-51.62	286.39	7.69	-43.93
CC(C)C1=CNC2=CC(C(=O)N(C)C3=NN=N[N-]3)=NC2=C1	REAL250004627236	0	35	-1.0	-64.47	292.03	5.94	-58.53
CC(C)C1=CNC2=CC(C(=O)N(C)C3=N[N-]N=N3)=NC2=C1	REAL250004627236	1	35	-1.0	-64.39	292.18	5.91	-58.48
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL250004627237	0	32	-1.0	-48.15	264.96	7.78	-40.37
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL250004627237	1	32	-1.0	-48.05	265.11	7.76	-40.29
COC1=CC=CC(CCC(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004627238	0	32	-1.0	-47.15	277.65	3.53	-43.62
COC1=CC=CC(CCC(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004627238	1	32	-1.0	-47.24	277.51	3.56	-43.68
CN(C(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL250004627239	0	31	-1.0	-52.17	260.01	3.37	-48.80
CN(C(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL250004627239	1	31	-1.0	-52.09	260.15	3.37	-48.72
CN(C(=O)C1(C2CCOCC2)CC1(F)F)C1=N[N-]N=N1	REAL250004627240	0	34	-1.0	-53.85	274.90	4.64	-49.21
CN(C(=O)C1(C2CCOCC2)CC1(F)F)C1=NN=N[N-]1	REAL250004627240	1	34	-1.0	-53.92	274.77	4.66	-49.26
CN(C(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL250004627241	0	27	-1.0	-46.17	242.28	5.58	-40.59
CN(C(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL250004627241	1	27	-1.0	-46.05	242.43	5.58	-40.47
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CC(F)F	REAL250004627242	0	29	-1.0	-48.01	258.12	4.29	-43.72
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CC(F)F	REAL250004627242	1	29	-1.0	-48.09	257.98	4.30	-43.79
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCC1	REAL250004627243	0	33	-1.0	-47.36	272.65	5.41	-41.95
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCC1	REAL250004627243	1	33	-1.0	-47.28	272.80	5.37	-41.91
CN(C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=N[N-]N=N1	REAL250004627244	0	30	-1.0	-52.27	276.17	7.36	-44.91
CN(C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=NN=N[N-]1	REAL250004627244	1	30	-1.0	-52.38	276.03	7.39	-44.99
CC(=O)C1=NC(C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004627245	0	24	-1.0	-52.70	233.63	3.45	-49.25
CC(=O)C1=NC(C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004627245	1	24	-1.0	-52.77	233.49	3.48	-49.29
CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(F)=C1	REAL250004627246	0	30	-1.0	-53.47	267.07	3.95	-49.52
CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(F)=C1	REAL250004627246	1	30	-1.0	-53.44	267.21	3.94	-49.50
CN(C(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL250004627247	0	26	-1.0	-49.40	251.50	5.18	-44.22
CN(C(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL250004627247	1	26	-1.0	-49.49	251.36	5.21	-44.28
CC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=C(C)S1	REAL250004627248	0	29	-1.0	-46.55	273.89	6.84	-39.71
CC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=C(C)S1	REAL250004627248	1	29	-1.0	-46.48	274.03	6.81	-39.67
CN(C(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL250004627249	0	36	-1.0	-51.08	278.70	6.01	-45.07
CN(C(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL250004627249	1	36	-1.0	-51.20	278.56	6.03	-45.17
CN(C(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL250004627250	0	30	-1.0	-50.78	269.39	7.49	-43.29
CN(C(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL250004627250	1	30	-1.0	-50.75	269.53	7.46	-43.29
CN(C(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=N[N-]N=N1	REAL250004627251	0	31	-1.0	-58.18	270.43	5.79	-52.39
CN(C(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL250004627251	1	31	-1.0	-58.22	270.30	5.80	-52.42
COC1=CC2=NC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C=C1	REAL250004627252	0	32	-1.0	-46.66	271.56	4.61	-42.05
COC1=CC2=NC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C=C1	REAL250004627252	1	32	-1.0	-46.61	271.55	4.61	-42.00
CCSC1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627253	0	36	-1.0	-32.13	281.41	7.40	-24.73
CCSC1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627253	1	36	-1.0	-32.22	281.26	7.42	-24.80
CC1=CC(CCC(=O)N(C)C2=N[N-]N=N2)=CC(C)=N1	REAL250004627254	0	34	-1.0	-46.96	289.37	6.24	-40.72
CC1=CC(CCC(=O)N(C)C2=NN=N[N-]2)=CC(C)=N1	REAL250004627254	1	34	-1.0	-47.02	289.23	6.26	-40.76
CC1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004627255	0	32	-1.0	-48.06	270.60	7.84	-40.22
CC1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004627255	1	32	-1.0	-47.97	270.73	7.84	-40.13
CN(C(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004627256	0	20	-1.0	-47.86	221.70	5.02	-42.84
CN(C(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004627256	1	20	-1.0	-47.95	221.56	5.03	-42.92
CC1=NN(C2CCC2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627257	0	33	-1.0	-48.26	270.95	5.31	-42.95
CC1=NN(C2CCC2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627257	1	33	-1.0	-48.18	271.09	5.28	-42.90
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL250004627258	0	30	-1.0	-47.91	266.77	6.19	-41.72
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL250004627258	1	30	-1.0	-47.86	266.91	6.16	-41.70
CN(C(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL250004627259	0	21	-1.0	-54.49	207.01	3.43	-51.06
CN(C(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL250004627259	1	21	-1.0	-54.60	206.87	3.43	-51.17
CCC1=C(C)SC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627260	0	29	-1.0	-47.56	251.97	6.09	-41.47
CCC1=C(C)SC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627260	1	29	-1.0	-47.47	252.14	6.09	-41.38
CN(C(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL250004627261	0	27	-1.0	-48.54	248.43	3.81	-44.73
CN(C(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL250004627261	1	27	-1.0	-48.63	248.30	3.84	-44.79
CN(C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL250004627262	0	26	-1.0	-53.96	249.66	0.84	-53.12
CN(C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL250004627262	1	26	-1.0	-54.06	249.51	0.87	-53.19
CN(C(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004627263	0	34	-1.0	-50.03	283.58	6.06	-43.97
CN(C(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004627263	1	34	-1.0	-50.10	283.44	6.09	-44.01
CN(C(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004627264	0	34	-1.0	-50.01	283.58	6.05	-43.96
CN(C(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004627264	1	34	-1.0	-50.09	283.44	6.09	-44.00
CN(C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL250004627265	0	32	-1.0	-45.66	278.55	6.65	-39.01
CN(C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL250004627265	1	32	-1.0	-45.55	278.69	6.63	-38.92
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL250004627266	0	25	-1.0	-44.25	239.14	5.30	-38.95
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL250004627266	1	25	-1.0	-44.30	239.00	5.32	-38.98
CN(C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004627267	0	30	-1.0	-53.78	266.64	6.19	-47.59
CN(C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004627267	1	30	-1.0	-53.71	266.77	6.19	-47.52
CCC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)N=N2)C=C1	REAL250004627268	0	35	-1.0	-45.23	302.30	6.75	-38.48
CCC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)N=N2)C=C1	REAL250004627268	1	35	-1.0	-45.13	302.45	6.72	-38.41
CN(C(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL250004627269	0	32	-1.0	-48.68	260.82	6.36	-42.32
CN(C(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL250004627269	1	32	-1.0	-48.79	260.68	6.37	-42.42
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL250004627270	0	38	-1.0	-50.45	301.31	7.34	-43.11
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL250004627270	1	38	-1.0	-50.44	301.45	7.35	-43.09
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004627271	0	23	-1.0	-47.19	227.88	5.13	-42.06
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004627271	1	23	-1.0	-47.28	227.73	5.14	-42.14
CN(C(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL250004627272	0	34	-1.0	-32.18	270.18	4.83	-27.35
CN(C(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL250004627272	1	34	-1.0	-32.28	270.03	4.85	-27.43
CN(C(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL250004627273	0	23	-1.0	-47.49	234.76	3.88	-43.61
CN(C(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL250004627273	1	23	-1.0	-47.39	234.91	3.89	-43.50
CN(C(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL250004627274	0	28	-1.0	-68.97	243.75	3.49	-65.48
CN(C(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL250004627274	1	28	-1.0	-68.83	243.88	3.48	-65.35
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL250004627275	0	29	-1.0	-47.60	257.58	6.70	-40.90
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL250004627275	1	29	-1.0	-47.54	257.72	6.70	-40.84
CN(C(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL250004627276	0	33	-1.0	-47.30	277.47	7.92	-39.38
CN(C(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL250004627276	1	33	-1.0	-47.26	277.61	7.93	-39.33
CN(C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL250004627277	0	25	-1.0	-50.52	247.33	4.87	-45.65
CN(C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL250004627277	1	25	-1.0	-50.44	247.48	4.85	-45.59
CN(C(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004627278	0	30	-1.0	-48.95	277.55	7.18	-41.77
CN(C(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004627278	1	30	-1.0	-49.02	277.42	7.22	-41.80
CN(C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL250004627279	0	29	-1.0	-50.51	256.75	2.19	-48.32
CN(C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL250004627279	1	29	-1.0	-50.44	256.89	2.19	-48.25
CN(C(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL250004627280	0	32	-1.0	-45.43	260.74	5.54	-39.89
CN(C(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL250004627280	1	32	-1.0	-45.34	260.87	5.53	-39.81
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627281	0	31	-1.0	-47.16	269.94	6.91	-40.25
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627281	1	31	-1.0	-47.11	270.08	6.90	-40.21
CN(C(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL250004627282	0	33	-1.0	-45.06	278.69	7.83	-37.23
CN(C(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL250004627282	1	33	-1.0	-45.12	278.55	7.86	-37.26
CC(C)N1C=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL250004627283	0	36	-1.0	-51.62	295.80	8.02	-43.60
CC(C)N1C=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL250004627283	1	36	-1.0	-51.56	295.95	8.03	-43.53
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL250004627284	0	30	-1.0	-50.24	264.96	5.14	-45.10
CN(C(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL250004627284	1	30	-1.0	-50.33	264.81	5.15	-45.18
C=CCOCC(C(=O)N(C)C1=N[N-]N=N1)C(C)(C)C	REAL250004627285	0	39	-1.0	-44.37	298.96	6.02	-38.35
C=CCOCC(C(=O)N(C)C1=NN=N[N-]1)C(C)(C)C	REAL250004627285	1	39	-1.0	-44.39	298.83	6.05	-38.34
CN(C(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL250004627286	0	26	-1.0	-44.15	243.55	3.65	-40.50
CN(C(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL250004627286	1	26	-1.0	-44.07	243.70	3.65	-40.42
CC1=NN(C2CCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627287	0	33	-1.0	-45.08	270.24	5.54	-39.54
CC1=NN(C2CCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627287	1	33	-1.0	-44.97	270.48	5.52	-39.45
CN(C(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL250004627288	0	29	-1.0	-44.52	260.77	4.72	-39.80
CN(C(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL250004627288	1	29	-1.0	-44.44	260.90	4.69	-39.75
CN(C(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL250004627289	0	36	-1.0	-49.59	273.56	5.67	-43.92
CN(C(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL250004627289	1	36	-1.0	-49.69	273.43	5.69	-44.00
CN(C(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL250004627290	0	27	-1.0	-49.47	261.15	7.03	-42.44
CN(C(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL250004627290	1	27	-1.0	-49.57	261.01	7.03	-42.54
CC(=O)NC(COC(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627291	0	36	-1.0	-53.54	294.09	3.10	-50.44
CC(=O)NC(COC(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627291	1	36	-1.0	-53.66	293.96	3.13	-50.53
CN(C(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL250004627292	0	34	-1.0	-47.25	281.62	4.13	-43.12
CN(C(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL250004627292	1	34	-1.0	-47.34	281.48	4.16	-43.18
COC1=CC2=CC=C(CC(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004627293	0	36	-1.0	-50.83	305.32	7.52	-43.31
COC1=CC2=CC=C(CC(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004627293	1	36	-1.0	-50.89	305.19	7.55	-43.34
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627294	0	41	-1.0	-33.59	308.19	8.58	-25.01
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627294	1	41	-1.0	-33.66	308.04	8.57	-25.09
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627295	0	29	-1.0	-46.33	269.81	2.86	-43.47
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627295	1	29	-1.0	-46.30	269.95	2.85	-43.45
CN(C(=O)C12CCC(C)(CC1)CO2)C1=N[N-]N=N1	REAL250004627296	0	34	-1.0	-46.76	257.31	4.89	-41.87
CN(C(=O)C12CCC(C)(CC1)CO2)C1=NN=N[N-]1	REAL250004627296	1	34	-1.0	-46.83	257.17	4.93	-41.90
CN(C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL250004627297	0	29	-1.0	-50.88	267.27	5.92	-44.96
CN(C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL250004627297	1	29	-1.0	-50.98	267.14	5.95	-45.03
CN(C(=O)C1=NC=C(F)C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004627298	0	28	-1.0	-46.57	255.25	5.47	-41.10
CN(C(=O)C1=NC=C(F)C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004627298	1	28	-1.0	-46.46	255.40	5.45	-41.01
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004627299	0	32	-1.0	-49.87	289.53	5.32	-44.55
COC(=O)C1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004627299	1	32	-1.0	-49.98	289.38	5.34	-44.64
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627300	0	32	-1.0	-47.13	285.38	7.44	-39.69
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627300	1	32	-1.0	-47.15	285.25	7.48	-39.67
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004627301	0	32	-1.0	-46.00	277.40	7.32	-38.68
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004627301	1	32	-1.0	-46.06	277.27	7.33	-38.73
CN(C(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL250004627302	0	35	-1.0	-51.73	292.49	5.81	-45.92
CN(C(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL250004627302	1	35	-1.0	-51.68	292.63	5.77	-45.91
CN(C(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL250004627303	0	30	-1.0	-55.93	269.25	5.04	-50.89
CN(C(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL250004627303	1	30	-1.0	-55.88	269.39	5.04	-50.84
CC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004627304	0	33	-1.0	-53.96	280.85	7.52	-46.44
CC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004627304	1	33	-1.0	-54.04	280.72	7.55	-46.49
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1CC	REAL250004627306	0	34	-1.0	-47.02	284.62	4.78	-42.24
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1CC	REAL250004627306	1	34	-1.0	-47.07	284.48	4.81	-42.26
CN(C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL250004627307	0	33	-1.0	-54.83	279.83	5.94	-48.89
CN(C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL250004627307	1	33	-1.0	-54.77	279.96	5.94	-48.83
CN(CC1=CC=CO1)C(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL250004627308	0	35	-1.0	-48.19	303.16	3.65	-44.54
CN(CC1=CC=CO1)C(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL250004627308	1	35	-1.0	-48.33	303.03	3.68	-44.65
CC1=NNC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)CC2	REAL250004627309	0	33	-1.0	-49.67	265.19	4.29	-45.38
CC1=NNC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)CC2	REAL250004627309	1	33	-1.0	-49.79	265.05	4.32	-45.47
CC1=C2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=NN1	REAL250004627309	1	33	-1.0	-35.31	264.62	4.49	-30.82
CN(C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL250004627310	0	34	-1.0	-51.12	289.70	5.15	-45.97
CN(C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL250004627310	1	34	-1.0	-51.17	289.56	5.19	-45.98
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004627311	0	29	-1.0	-43.86	266.74	6.45	-37.41
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004627311	1	29	-1.0	-42.82	266.90	6.48	-36.34
CN(C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL250004627312	0	33	-1.0	-38.64	267.31	6.22	-32.42
CN(C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL250004627312	1	33	-1.0	-38.70	267.14	6.22	-32.48
C=C1CCC1(C(=O)OC)C(=O)N(C)C1=N[N-]N=N1	REAL250004627313	0	30	-1.0	-44.43	257.22	4.96	-39.47
C=C1CCC1(C(=O)OC)C(=O)N(C)C1=NN=N[N-]1	REAL250004627313	1	30	-1.0	-44.47	257.08	4.99	-39.48
CN(C(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL250004627314	0	25	-1.0	-52.02	243.05	-1.73	-53.75
CN(C(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL250004627314	1	25	-1.0	-52.11	242.91	-1.70	-53.81
CN(C(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL250004627315	0	27	-1.0	-53.33	248.38	5.08	-48.25
CN(C(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL250004627315	1	27	-1.0	-53.22	248.53	5.07	-48.15
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627316	0	37	-1.0	-56.56	303.55	3.89	-52.67
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627316	1	37	-1.0	-56.62	303.41	3.92	-52.70
C[C@@H]1CC2=C(NN=C2C(=O)N(C)C2=N[N-]N=N2)[C@H](C)O1	REAL250004627317	0	34	-1.0	-49.00	280.30	3.54	-45.46
C[C@@H]1CC2=C(NN=C2C(=O)N(C)C2=NN=N[N-]2)[C@H](C)O1	REAL250004627317	1	34	-1.0	-49.10	280.15	3.55	-45.55
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627318	0	32	-1.0	-52.22	285.33	6.70	-45.52
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627318	1	32	-1.0	-52.14	285.47	6.70	-45.44
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627319	0	30	-1.0	-52.70	278.34	6.63	-46.07
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627319	1	30	-1.0	-52.62	278.48	6.62	-46.00
CN(C(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL250004627320	0	32	-1.0	-31.40	249.56	6.09	-25.31
CN(C(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL250004627320	1	32	-1.0	-31.49	249.44	6.12	-25.37
CN(C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL250004627321	0	31	-1.0	-60.38	274.66	6.63	-53.75
CN(C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL250004627321	1	31	-1.0	-60.47	274.53	6.64	-53.83
CN(C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL250004627322	0	30	-1.0	-49.39	263.68	7.15	-42.24
CN(C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL250004627322	1	30	-1.0	-49.42	263.54	7.14	-42.28
CN(C(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL250004627323	0	25	-1.0	-50.00	230.14	4.96	-45.04
CN(C(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL250004627323	1	25	-1.0	-49.94	230.28	4.93	-45.01
CN(C(=O)C1(C)CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL250004627324	0	31	-1.0	-45.42	261.15	4.79	-40.63
CN(C(=O)C1(C)CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL250004627324	1	31	-1.0	-45.47	261.01	4.83	-40.64
CN(C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL250004627325	0	28	-1.0	-43.50	259.48	6.13	-37.37
CN(C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL250004627325	1	28	-1.0	-43.55	259.35	6.15	-37.40
CN(C(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=N[N-]N=N1	REAL250004627326	0	30	-1.0	-51.82	264.78	6.97	-44.85
CN(C(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=NN=N[N-]1	REAL250004627326	1	30	-1.0	-51.91	264.65	6.99	-44.92
CN(C)C1=CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004627327	0	37	-1.0	-49.61	300.16	7.56	-42.05
CN(C)C1=CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004627327	1	37	-1.0	-49.52	300.31	7.56	-41.96
CN(C(=O)C1(CC2=NNN=C2)CCCC1)C1=N[N-]N=N1	REAL250004627328	0	35	-1.0	-54.18	273.51	3.72	-50.46
CN(C(=O)C1(CC2=NNN=C2)CCCC1)C1=NN=N[N-]1	REAL250004627328	1	35	-1.0	-54.25	273.38	3.73	-50.52
C#CC1=CC=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627329	0	32	-1.0	-49.29	284.94	8.47	-40.82
C#CC1=CC=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627329	1	32	-1.0	-49.37	284.80	8.51	-40.86
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL250004627330	0	31	-1.0	-51.61	269.21	6.07	-45.54
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL250004627330	1	31	-1.0	-51.53	269.35	6.05	-45.48
CN(C(=O)C1(C2CCC2)CC1(F)F)C1=N[N-]N=N1	REAL250004627331	0	30	-1.0	-50.97	250.85	5.98	-44.99
CN(C(=O)C1(C2CCC2)CC1(F)F)C1=NN=N[N-]1	REAL250004627331	1	30	-1.0	-51.11	250.72	6.01	-45.10
CN(C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL250004627332	0	35	-1.0	-46.37	294.92	6.01	-40.36
CN(C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL250004627332	1	35	-1.0	-46.29	295.04	6.01	-40.28
CN(C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=N[N-]N=N1	REAL250004627333	0	33	-1.0	-45.23	268.13	6.27	-38.96
CN(C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=NN=N[N-]1	REAL250004627333	1	33	-1.0	-45.34	267.99	6.28	-39.06
CN(C(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL250004627334	0	28	-1.0	-60.91	242.55	1.49	-59.42
CN(C(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL250004627334	1	28	-1.0	-60.80	242.69	1.48	-59.32
CC1=CNC2=NC=C(C(=O)N(C)C3=NN=N[N-]3)C=C12	REAL250004627335	0	29	-1.0	-48.91	251.07	4.91	-44.00
CC1=CNC2=NC=C(C(=O)N(C)C3=N[N-]N=N3)C=C12	REAL250004627335	1	29	-1.0	-48.84	251.22	4.90	-43.94
CN(C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL250004627336	0	30	-1.0	-48.32	264.74	3.61	-44.71
CN(C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL250004627336	1	30	-1.0	-48.42	264.60	3.60	-44.82
CC1=NN=C(CC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)O1	REAL250004627337	0	34	-1.0	-53.95	297.13	2.30	-51.65
CC1=NN=C(CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)O1	REAL250004627337	1	34	-1.0	-54.05	296.99	2.29	-51.76
CC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL250004627338	0	31	-1.0	-48.99	271.81	6.07	-42.92
CC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL250004627338	1	31	-1.0	-48.92	271.94	6.05	-42.87
CN(C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL250004627339	0	29	-1.0	-49.68	266.04	2.45	-47.23
CN(C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL250004627339	1	29	-1.0	-49.56	266.10	2.41	-47.15
COC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C(C)C=C1	REAL250004627340	0	34	-1.0	-48.68	284.85	5.48	-43.20
COC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C(C)C=C1	REAL250004627340	1	34	-1.0	-48.61	285.00	5.46	-43.15
CCCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627341	0	39	-1.0	-48.71	324.21	7.78	-40.93
CCCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627341	1	39	-1.0	-48.80	324.08	7.81	-40.99
COC1=NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C=C1	REAL250004627342	0	32	-1.0	-48.28	276.38	3.81	-44.47
COC1=NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C=C1	REAL250004627342	1	32	-1.0	-46.86	276.48	3.82	-43.04
CC1=CN2C(C(=O)N(C)C3=NN=N[N-]3)=CN=C2S1	REAL250004627343	0	26	-1.0	-48.68	239.87	5.28	-43.40
CC1=CN2C(C(=O)N(C)C3=N[N-]N=N3)=CN=C2S1	REAL250004627343	1	26	-1.0	-48.61	240.02	5.27	-43.34
CN(C(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL250004627344	0	20	-1.0	-41.30	225.49	4.94	-36.36
CN(C(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL250004627344	1	20	-1.0	-41.43	225.34	4.94	-36.49
CN(C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL250004627345	0	34	-1.0	-49.13	276.08	6.56	-42.57
CN(C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL250004627345	1	34	-1.0	-49.05	276.22	6.54	-42.51
COC1CC2(C1)CCC(C(=O)N(C)C1=N[N-]N=N1)CC2	REAL250004627346	0	40	-1.0	-48.66	303.40	5.87	-42.79
COC1CC2(C1)CCC(C(=O)N(C)C1=NN=N[N-]1)CC2	REAL250004627346	1	40	-1.0	-48.70	303.27	5.89	-42.81
CCCC(CCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627347	0	41	-1.0	-33.44	321.16	9.28	-24.16
CCCC(CCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627347	1	41	-1.0	-33.46	321.01	9.30	-24.16
CCC(C)(C)C1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627348	0	44	-1.0	-32.03	301.46	7.97	-24.06
CCC(C)(C)C1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627348	1	44	-1.0	-32.10	301.30	7.99	-24.11
CC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL250004627349	0	31	-1.0	-46.31	264.79	5.85	-40.46
CC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL250004627349	1	31	-1.0	-46.23	264.94	5.85	-40.38
CN(C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL250004627350	0	28	-1.0	-51.37	259.82	3.20	-48.17
CN(C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL250004627350	1	28	-1.0	-51.31	259.96	3.19	-48.12
CN(C(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL250004627351	0	35	-1.0	-35.51	272.97	6.19	-29.32
CN(C(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL250004627351	1	35	-1.0	-35.54	272.88	6.21	-29.33
CN(C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL250004627352	0	30	-1.0	-49.74	258.99	4.68	-45.06
CN(C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL250004627352	1	30	-1.0	-49.66	259.13	4.69	-44.97
CCC(CCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627353	0	38	-1.0	-48.97	307.87	8.53	-40.44
CCC(CCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627353	1	38	-1.0	-49.08	307.73	8.55	-40.53
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCCC1	REAL250004627354	0	33	-1.0	-42.25	262.37	5.50	-36.75
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCCC1	REAL250004627354	1	33	-1.0	-42.37	262.23	5.53	-36.84
CN(C(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004627355	0	37	-1.0	-47.40	304.97	6.86	-40.54
CN(C(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004627355	1	37	-1.0	-47.44	304.84	6.89	-40.55
CN(C(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL250004627356	0	33	-1.0	-49.12	271.12	6.87	-42.25
CN(C(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL250004627356	1	33	-1.0	-49.21	270.99	6.89	-42.32
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1Br	REAL250004627357	0	25	-1.0	-46.62	238.97	5.28	-41.34
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1Br	REAL250004627357	1	25	-1.0	-46.51	239.11	5.26	-41.25
CN(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004627358	0	33	-1.0	-44.42	282.86	6.19	-38.23
CN(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004627358	1	33	-1.0	-44.37	283.00	6.19	-38.18
CN(C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004627359	0	27	-1.0	-44.33	254.72	4.80	-39.53
CN(C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004627359	1	27	-1.0	-44.27	254.85	4.78	-39.49
COC(=O)C1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627360	0	26	-1.0	-51.10	248.18	4.47	-46.63
COC(=O)C1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627360	1	26	-1.0	-51.12	248.03	4.50	-46.62
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004627361	0	34	-1.0	-45.13	274.30	5.36	-39.77
CN(C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004627361	1	34	-1.0	-45.08	274.44	5.36	-39.72
CN(C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=NN=N[N-]1	REAL250004627362	0	30	-1.0	-48.91	278.03	5.10	-43.81
CN(C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=N[N-]N=N1	REAL250004627362	1	30	-1.0	-48.83	278.13	5.08	-43.75
COC1CC(CC(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004627363	0	36	-1.0	-46.75	287.05	5.12	-41.63
COC1CC(CC(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004627363	1	36	-1.0	-46.88	286.91	5.14	-41.74
CN(C(=O)C12CCCN1C(=O)CCCC2)C1=N[N-]N=N1	REAL250004627364	0	37	-1.0	-55.93	275.91	4.84	-51.09
CN(C(=O)C12CCCN1C(=O)CCCC2)C1=NN=N[N-]1	REAL250004627364	1	37	-1.0	-55.96	275.78	4.88	-51.08
CN(C(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL250004627365	0	30	-1.0	-50.22	256.91	6.28	-43.94
CN(C(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL250004627365	1	30	-1.0	-50.34	256.83	6.30	-44.04
CN(C(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL250004627366	0	30	-1.0	-43.98	247.75	6.09	-37.89
CN(C(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL250004627366	1	30	-1.0	-44.04	247.58	6.10	-37.94
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627367	0	34	-1.0	-52.49	280.60	6.55	-45.94
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627367	1	34	-1.0	-52.59	280.47	6.57	-46.02
CN(C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=N[N-]N=N1	REAL250004627368	0	41	-1.0	-46.82	277.64	7.00	-39.82
CN(C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=NN=N[N-]1	REAL250004627368	1	41	-1.0	-46.93	277.53	6.99	-39.94
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004627369	0	29	-1.0	-52.39	266.56	4.25	-48.14
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004627369	1	29	-1.0	-52.49	266.41	4.27	-48.22
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004627370	0	34	-1.0	-61.15	279.68	4.04	-57.11
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004627370	1	34	-1.0	-61.23	279.55	4.05	-57.18
CCC1=CC=C(C(=O)C(=O)N(C)C2=N[N-]N=N2)S1	REAL250004627371	0	28	-1.0	-41.70	258.15	5.84	-35.86
CCC1=CC=C(C(=O)C(=O)N(C)C2=NN=N[N-]2)S1	REAL250004627371	1	28	-1.0	-41.77	258.02	5.86	-35.91
CN(C(=O)C1=NNC(C2CCCC2)=C1)C1=N[N-]N=N1	REAL250004627372	0	33	-1.0	-47.05	270.75	5.26	-41.79
CN(C(=O)C1=NNC(C2CCCC2)=C1)C1=NN=N[N-]1	REAL250004627372	1	33	-1.0	-47.10	270.61	5.27	-41.83
CN(C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL250004627373	0	31	-1.0	-49.24	260.35	4.07	-45.17
CN(C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL250004627373	1	31	-1.0	-49.14	260.49	4.06	-45.08
CN(C(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL250004627374	0	30	-1.0	-42.94	255.56	1.52	-41.42
CN(C(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL250004627374	1	30	-1.0	-42.88	255.70	1.51	-41.37
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC=C1C(F)F	REAL250004627375	0	28	-1.0	-47.03	247.78	5.57	-41.46
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC=C1C(F)F	REAL250004627375	1	28	-1.0	-47.05	247.64	5.58	-41.47
CN(C(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL250004627376	0	31	-1.0	-54.08	269.66	3.09	-50.99
CN(C(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL250004627376	1	31	-1.0	-54.17	269.51	3.12	-51.05
CN(C)C(=O)C1=CN=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627377	0	32	-1.0	-50.31	267.67	2.72	-47.59
CN(C)C(=O)C1=CN=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627377	1	32	-1.0	-50.29	267.81	2.72	-47.57
CN(C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL250004627378	0	27	-1.0	-49.51	256.69	5.10	-44.41
CN(C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL250004627378	1	27	-1.0	-49.42	256.83	5.09	-44.33
COC1=CC=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627379	0	34	-1.0	-55.49	279.76	5.91	-49.58
COC1=CC=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627379	1	34	-1.0	-55.55	279.62	5.92	-49.63
CC1=C(Cl)C=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627380	0	26	-1.0	-50.46	247.32	4.28	-46.18
CC1=C(Cl)C=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627380	1	26	-1.0	-50.55	247.19	4.30	-46.25
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL250004627381	0	37	-1.0	-56.44	304.15	3.91	-52.53
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL250004627381	1	37	-1.0	-56.57	304.02	3.93	-52.64
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004627382	0	32	-1.0	-46.48	291.53	6.82	-39.66
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL250004627382	1	32	-1.0	-46.41	291.68	6.83	-39.58
CN(C(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL250004627383	0	35	-1.0	-50.31	280.19	4.44	-45.87
CN(C(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL250004627383	1	35	-1.0	-50.37	280.06	4.46	-45.91
CC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004627384	0	28	-1.0	-46.87	250.39	6.14	-40.73
CC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004627384	1	28	-1.0	-46.83	250.53	6.13	-40.70
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004627385	0	28	-1.0	-65.08	248.11	3.52	-61.56
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004627385	1	28	-1.0	-64.99	248.24	3.51	-61.48
CN(C(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL250004627386	0	30	-1.0	-48.54	251.42	2.45	-46.09
CN(C(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL250004627386	1	30	-1.0	-48.47	251.64	2.45	-46.02
CN(C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL250004627387	0	28	-1.0	-41.40	256.17	4.46	-36.94
CN(C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL250004627387	1	28	-1.0	-41.35	256.31	4.45	-36.90
CN(C(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627388	0	32	-1.0	-40.65	280.42	7.53	-33.12
CN(C(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627388	1	32	-1.0	-40.66	280.28	7.57	-33.09
CC1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)S2)S1	REAL250004627389	0	26	-1.0	-45.91	251.10	6.12	-39.79
CC1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)S2)S1	REAL250004627389	1	26	-1.0	-45.83	251.25	6.11	-39.72
CN(C(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004627390	0	31	-1.0	-48.50	258.88	7.34	-41.16
CN(C(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004627390	1	31	-1.0	-48.41	259.02	7.30	-41.11
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004627391	0	28	-1.0	-49.31	242.72	5.28	-44.03
CN(C(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004627391	1	28	-1.0	-49.21	242.85	5.27	-43.94
COC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(F)C=N1	REAL250004627392	0	28	-1.0	-45.97	260.41	3.87	-42.10
COC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(F)C=N1	REAL250004627392	1	28	-1.0	-45.90	260.56	3.86	-42.04
CC1=CC2=C(OCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627393	0	31	-1.0	-54.62	262.26	5.51	-49.11
CC1=CC2=C(OCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627393	1	31	-1.0	-54.58	262.40	5.49	-49.09
CN(C(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL250004627394	0	25	-1.0	-49.20	231.37	4.41	-44.79
CN(C(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL250004627394	1	25	-1.0	-49.12	231.50	4.40	-44.72
COC1CC2(C1)CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL250004627395	0	34	-1.0	-47.50	278.46	5.07	-42.43
COC1CC2(C1)CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL250004627395	1	34	-1.0	-47.55	278.32	5.10	-42.45
CC(C)OCC1=CC=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627396	0	39	-1.0	-49.44	321.28	7.45	-41.99
CC(C)OCC1=CC=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627396	1	39	-1.0	-49.58	321.14	7.48	-42.10
CN(C(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL250004627397	0	33	-1.0	-63.02	262.17	2.82	-60.20
CN(C(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL250004627397	1	33	-1.0	-63.14	262.03	2.84	-60.30
CN(C(=O)C12COC(C)(C1)CCC2)C1=N[N-]N=N1	REAL250004627398	0	34	-1.0	-32.28	248.85	4.42	-27.86
CN(C(=O)C12COC(C)(C1)CCC2)C1=NN=N[N-]1	REAL250004627398	1	34	-1.0	-32.30	248.72	4.44	-27.86
CN(C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627399	0	39	-1.0	-48.27	299.32	8.56	-39.71
CN(C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627399	1	39	-1.0	-48.30	299.19	8.58	-39.72
CN(C(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004627400	0	29	-1.0	-62.90	249.41	6.32	-56.58
CN(C(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004627400	1	29	-1.0	-62.79	249.56	6.32	-56.47
CN(C(=O)C12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL250004627401	0	30	-1.0	-47.93	240.31	5.69	-42.24
CN(C(=O)C12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL250004627401	1	30	-1.0	-48.01	240.17	5.72	-42.29
CN(C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=NN=N[N-]1	REAL250004627402	0	33	-1.0	-42.63	292.84	6.25	-36.38
CN(C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=N[N-]N=N1	REAL250004627402	1	33	-1.0	-42.54	292.98	6.23	-36.31
CN(C(=O)C1=NNC(C2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004627403	0	29	-1.0	-52.40	260.03	3.89	-48.51
CN(C(=O)C1=NNC(C2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004627403	1	29	-1.0	-52.29	260.17	3.87	-48.42
CN(C(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL250004627404	0	23	-1.0	-38.73	245.25	1.03	-37.70
CN(C(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL250004627404	1	23	-1.0	-38.68	245.39	1.02	-37.66
CN(C(=O)C1=C(C2CCOCC2)ON=C1)C1=N[N-]N=N1	REAL250004627407	0	33	-1.0	-42.43	273.81	4.13	-38.30
CN(C(=O)C1=C(C2CCOCC2)ON=C1)C1=NN=N[N-]1	REAL250004627407	1	33	-1.0	-42.48	273.67	4.15	-38.33
CN(C(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NN=N[N-]1	REAL250004627409	0	32	-1.0	-57.06	281.27	4.47	-52.59
CN(C(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=N[N-]N=N1	REAL250004627409	1	32	-1.0	-56.96	281.42	4.47	-52.49
CN(C(=O)C1CCCC2=C1N=CN2C)C1=N[N-]N=N1	REAL250004627410	0	33	-1.0	-58.78	270.16	6.63	-52.15
CN(C(=O)C1CCCC2=C1N=CN2C)C1=NN=N[N-]1	REAL250004627410	1	33	-1.0	-58.83	270.03	6.65	-52.18
CN=S(C)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627411	0	33	-1.0	-56.82	289.38	2.31	-54.51
CN=S(C)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627411	1	33	-1.0	-56.75	289.52	2.31	-54.44
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL250004627412	0	38	-1.0	-47.02	303.08	6.13	-40.89
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL250004627412	1	38	-1.0	-47.10	302.93	6.15	-40.95
CCCSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627413	0	33	-1.0	-50.43	285.26	7.56	-42.87
CCCSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627413	1	33	-1.0	-50.32	285.40	7.56	-42.76
COC1=CC=C2C(=C1)CCCC2C(=O)N(C)C1=N[N-]N=N1	REAL250004627414	0	37	-1.0	-49.95	296.17	6.71	-43.24
COC1=CC=C2C(=C1)CCCC2C(=O)N(C)C1=NN=N[N-]1	REAL250004627414	1	37	-1.0	-50.00	296.04	6.72	-43.28
COC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004627415	0	26	-1.0	-46.77	241.59	3.60	-43.17
COC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004627415	1	26	-1.0	-46.71	241.73	3.59	-43.12
CCCCSC1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627416	0	36	-1.0	-50.40	306.76	8.34	-42.06
CCCCSC1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627416	1	36	-1.0	-50.29	306.90	8.34	-41.95
CC1=NC=NC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)CC2	REAL250004627417	0	34	-1.0	-32.57	271.65	6.06	-26.51
CC1=NC=NC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)CC2	REAL250004627417	1	34	-1.0	-32.64	271.40	6.08	-26.56
CC(C)N(C)C(=O)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004627418	0	35	-1.0	-45.84	285.24	4.77	-41.07
CC(C)N(C)C(=O)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004627418	1	35	-1.0	-45.93	285.10	4.80	-41.13
CC1C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)C1C	REAL250004627419	0	32	-1.0	-53.92	271.12	4.00	-49.92
CC1C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)C1C	REAL250004627419	1	32	-1.0	-53.96	270.98	4.02	-49.94
CN(C(=O)C1CCC(OC(F)(F)F)CC1)C1=N[N-]N=N1	REAL250004627420	0	33	-1.0	-30.67	274.77	5.08	-25.59
CN(C(=O)C1CCC(OC(F)(F)F)CC1)C1=NN=N[N-]1	REAL250004627420	1	33	-1.0	-30.75	274.64	5.10	-25.65
CN(C(=O)CC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL250004627421	0	23	-1.0	-46.85	236.89	5.52	-41.33
CN(C(=O)CC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL250004627421	1	23	-1.0	-46.89	236.75	5.55	-41.34
CC(C)OC1=CC=C(F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627422	0	33	-1.0	-50.70	278.66	6.66	-44.04
CC(C)OC1=CC=C(F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627422	1	33	-1.0	-50.67	278.80	6.65	-44.02
COC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)F)=N1	REAL250004627423	0	28	-1.0	-46.66	249.83	0.40	-46.26
COC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)F)=N1	REAL250004627423	1	28	-1.0	-46.73	249.68	0.39	-46.34
CC(CC(=O)N(C)C1=N[N-]N=N1)CC(F)(F)F	REAL250004627424	0	28	-1.0	-49.83	242.55	5.34	-44.49
CC(CC(=O)N(C)C1=NN=N[N-]1)CC(F)(F)F	REAL250004627424	1	28	-1.0	-49.95	242.42	5.36	-44.59
CN(C(=O)CC1CCC2(CCCC2)CC1)C1=N[N-]N=N1	REAL250004627425	0	42	-1.0	-47.60	307.64	8.37	-39.23
CN(C(=O)CC1CCC2(CCCC2)CC1)C1=NN=N[N-]1	REAL250004627425	1	42	-1.0	-47.66	307.50	8.40	-39.26
CC1COC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL250004627426	0	31	-1.0	-55.87	258.54	5.59	-50.28
CC1COC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL250004627426	1	31	-1.0	-55.80	258.68	5.58	-50.22
CN(C(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL250004627427	0	29	-1.0	-48.04	267.43	5.87	-42.17
CN(C(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL250004627427	1	29	-1.0	-47.98	267.58	5.86	-42.12
CN(C(=O)C1=CN=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004627428	0	30	-1.0	-45.41	251.72	3.13	-42.28
CN(C(=O)C1=CN=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004627428	1	30	-1.0	-45.35	251.86	3.11	-42.24
CN(C(=O)CC1COCC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004627429	0	34	-1.0	-48.44	275.18	5.83	-42.61
CN(C(=O)CC1COCC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004627429	1	34	-1.0	-48.57	275.04	5.87	-42.70
C#CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004627430	0	29	-1.0	-51.22	266.01	7.04	-44.18
C#CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004627430	1	29	-1.0	-51.37	265.88	7.07	-44.30
CN(C(=O)CC1CCCCCC1(F)F)C1=N[N-]N=N1	REAL250004627431	0	35	-1.0	-43.85	267.70	6.66	-37.19
CN(C(=O)CC1CCCCCC1(F)F)C1=NN=N[N-]1	REAL250004627431	1	35	-1.0	-43.93	267.56	6.67	-37.26
CC1=NOC(C(=O)N(C)C2=NN=N[N-]2)(C2=CC=CC=C2)C1	REAL250004627432	0	34	-1.0	-48.49	279.25	5.86	-42.63
CC1=NOC(C(=O)N(C)C2=N[N-]N=N2)(C2=CC=CC=C2)C1	REAL250004627432	1	34	-1.0	-48.44	279.38	5.84	-42.60
COC(=O)CC(C(=O)N(C)C1=N[N-]N=N1)N1CCCCC1	REAL250004627433	0	40	-1.0	-45.02	307.27	4.67	-40.35
COC(=O)CC(C(=O)N(C)C1=NN=N[N-]1)N1CCCCC1	REAL250004627433	1	40	-1.0	-45.06	307.14	4.70	-40.36
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004627434	0	32	-1.0	-48.02	276.99	5.81	-42.21
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004627434	1	32	-1.0	-48.08	276.86	5.84	-42.24
CCOC(=O)[C@H]1C[C@](F)(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004627435	0	32	-1.0	-42.80	276.32	5.75	-37.05
CCOC(=O)[C@H]1C[C@](F)(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004627435	1	32	-1.0	-42.83	276.18	5.76	-37.07
CC1CC(C(=O)N(C)C2=N[N-]N=N2)CCS1(=O)=O	REAL250004627436	0	32	-1.0	-53.75	258.15	1.77	-51.98
CC1CC(C(=O)N(C)C2=NN=N[N-]2)CCS1(=O)=O	REAL250004627436	1	32	-1.0	-53.88	258.02	1.79	-52.09
CN(C(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL250004627437	0	37	-1.0	-47.09	292.47	8.82	-38.27
CN(C(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL250004627437	1	37	-1.0	-47.20	292.33	8.84	-38.36
CC(C1CC1)N1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL250004627438	0	37	-1.0	-46.40	294.14	5.66	-40.74
CC(C1CC1)N1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL250004627438	1	37	-1.0	-46.47	294.00	5.69	-40.78
CCC1=CN2CC(C(=O)N(C)C3=N[N-]N=N3)CCC2=N1	REAL250004627439	0	36	-1.0	-45.71	288.20	6.48	-39.23
CCC1=CN2CC(C(=O)N(C)C3=NN=N[N-]3)CCC2=N1	REAL250004627439	1	36	-1.0	-45.81	288.07	6.50	-39.31
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL250004627440	0	36	-1.0	-49.35	305.78	9.38	-39.97
CN(C(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL250004627440	1	36	-1.0	-49.26	305.92	9.39	-39.87
CN(C(=O)CC12CC(C1)C(=O)NC2)C1=N[N-]N=N1	REAL250004627441	0	31	-1.0	-52.39	252.65	2.47	-49.92
CN(C(=O)CC12CC(C1)C(=O)NC2)C1=NN=N[N-]1	REAL250004627441	1	31	-1.0	-52.51	252.51	2.49	-50.02
CN(C(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=N[N-]N=N1	REAL250004627442	0	28	-1.0	-46.55	252.04	5.81	-40.74
CN(C(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NN=N[N-]1	REAL250004627442	1	28	-1.0	-46.66	251.90	5.83	-40.83
CN(C(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL250004627443	0	37	-1.0	-52.46	307.15	7.18	-45.28
CN(C(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL250004627443	1	37	-1.0	-52.50	307.01	7.22	-45.28
CN(C(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL250004627444	0	31	-1.0	-58.62	269.57	5.60	-53.02
CN(C(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL250004627444	1	31	-1.0	-58.55	269.71	5.61	-52.94
CN(C(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL250004627445	0	36	-1.0	-43.20	292.49	2.73	-40.47
CN(C(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL250004627445	1	36	-1.0	-43.21	292.36	2.75	-40.46
CN(C(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL250004627446	0	23	-1.0	-40.45	241.87	5.98	-34.47
CN(C(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL250004627446	1	23	-1.0	-40.49	241.73	5.98	-34.51
CN(C(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NN=N[N-]1	REAL250004627447	0	30	-1.0	-47.41	262.03	2.23	-45.18
CN(C(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=N[N-]N=N1	REAL250004627447	1	30	-1.0	-47.37	262.17	2.21	-45.16
CC1CCC(OCCCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627448	0	42	-1.0	-49.97	327.55	7.20	-42.77
CC1CCC(OCCCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627448	1	42	-1.0	-50.00	327.41	7.23	-42.77
CN(C(=O)CC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL250004627449	0	34	-1.0	-58.39	283.30	6.22	-52.17
CN(C(=O)CC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL250004627449	1	34	-1.0	-58.49	283.17	6.24	-52.25
CN(C(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=N[N-]N=N1	REAL250004627450	0	40	-1.0	-32.36	301.49	3.72	-28.64
CN(C(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NN=N[N-]1	REAL250004627450	1	40	-1.0	-32.42	301.34	3.73	-28.69
CN(C(=O)C1=CC=C2SN=CC2=C1)C1=NN=N[N-]1	REAL250004627451	0	25	-1.0	-45.69	233.79	5.08	-40.61
CN(C(=O)C1=CC=C2SN=CC2=C1)C1=N[N-]N=N1	REAL250004627451	1	25	-1.0	-45.64	233.93	5.08	-40.56
CN(C(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=NN=N[N-]1	REAL250004627452	0	31	-1.0	-51.64	269.25	5.60	-46.04
CN(C(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=N[N-]N=N1	REAL250004627452	1	31	-1.0	-51.59	269.39	5.61	-45.98
CN(C(=O)CC1CCCCC1(F)F)C1=N[N-]N=N1	REAL250004627453	0	32	-1.0	-44.01	259.40	6.29	-37.72
CN(C(=O)CC1CCCCC1(F)F)C1=NN=N[N-]1	REAL250004627453	1	32	-1.0	-44.09	259.26	6.32	-37.77
CN(C(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NN=N[N-]1	REAL250004627454	0	33	-1.0	-48.90	277.80	5.89	-43.01
CN(C(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=N[N-]N=N1	REAL250004627454	1	33	-1.0	-48.94	277.95	5.89	-43.05
CN(C(=O)C12CCC(C1)S(=O)(=O)CC2)C1=N[N-]N=N1	REAL250004627455	0	33	-1.0	-53.38	256.91	1.91	-51.47
CN(C(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NN=N[N-]1	REAL250004627455	1	33	-1.0	-53.46	256.77	1.93	-51.53
CN(C(=O)C1CCCC2=NC=CC=C21)C1=N[N-]N=N1	REAL250004627456	0	32	-1.0	-48.50	261.60	5.62	-42.88
CN(C(=O)C1CCCC2=NC=CC=C21)C1=NN=N[N-]1	REAL250004627456	1	32	-1.0	-48.56	261.47	5.65	-42.91
CN(C(=O)CSC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004627457	0	27	-1.0	-49.89	253.44	4.33	-45.56
CN(C(=O)CSC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004627457	1	27	-1.0	-49.82	253.58	4.30	-45.52
CN(C(=O)CCC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL250004627458	0	29	-1.0	-48.60	270.62	7.23	-41.37
CN(C(=O)CCC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL250004627458	1	29	-1.0	-48.65	270.49	7.25	-41.40
CN(C(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004627459	0	30	-1.0	-57.51	271.57	7.14	-50.37
CN(C(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004627459	1	30	-1.0	-57.40	271.72	7.13	-50.27
CN(C(=O)CC1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004627460	0	34	-1.0	-51.48	273.34	5.70	-45.78
CN(C(=O)CC1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL250004627460	1	34	-1.0	-51.57	273.20	5.73	-45.84
CC1=CN2C=C(C(=O)N(C)C3=NN=N[N-]3)C=CC2=N1	REAL250004627461	0	29	-1.0	-45.87	249.87	6.05	-39.82
CC1=CN2C=C(C(=O)N(C)C3=N[N-]N=N3)C=CC2=N1	REAL250004627461	1	29	-1.0	-45.82	250.02	6.06	-39.76
CN(C(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004627463	0	31	-1.0	-32.20	253.34	2.41	-29.79
CN(C(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004627463	1	31	-1.0	-32.20	253.20	2.42	-29.78
CN(C(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL250004627464	0	31	-1.0	-30.81	255.78	2.18	-28.63
CN(C(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL250004627464	1	31	-1.0	-30.85	255.66	2.20	-28.65
CN(C(=O)CCC(F)(F)CN=[N+]=[N-])C1=N[N-]N=N1	REAL250004627465	0	27	-1.0	-44.94	253.89	1.31	-43.63
CN(C(=O)CCC(F)(F)CN=[N+]=[N-])C1=NN=N[N-]1	REAL250004627465	1	27	-1.0	-45.01	253.76	1.35	-43.66
CN(C(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=NN=N[N-]1	REAL250004627466	0	32	-1.0	-50.76	287.89	0.96	-49.80
CN(C(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=N[N-]N=N1	REAL250004627466	1	32	-1.0	-50.69	288.04	0.95	-49.74
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C2C=CNC2=N1	REAL250004627467	0	28	-1.0	-49.63	245.44	5.01	-44.62
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C2C=CNC2=N1	REAL250004627467	1	28	-1.0	-49.54	245.58	4.99	-44.55
CN(C(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL250004627468	0	31	-1.0	-47.20	277.64	4.57	-42.63
CN(C(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL250004627468	1	31	-1.0	-47.30	277.51	4.59	-42.71
CCC1=CC=CC(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627469	0	38	-1.0	-47.36	298.30	8.24	-39.12
CCC1=CC=CC(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627469	1	38	-1.0	-47.41	298.16	8.26	-39.15
CN(C(=O)C1CCCC(C)(C)CC1)C1=N[N-]N=N1	REAL250004627470	0	38	-1.0	-46.08	266.05	6.45	-39.63
CN(C(=O)C1CCCC(C)(C)CC1)C1=NN=N[N-]1	REAL250004627470	1	38	-1.0	-46.13	265.92	6.46	-39.67
CN(C(=O)CC1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL250004627471	0	37	-1.0	-50.07	312.90	7.78	-42.29
CN(C(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL250004627471	1	37	-1.0	-50.16	312.76	7.81	-42.35
CC(C)[C@H]1CC[C@@H](C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627472	0	38	-1.0	-49.48	275.48	6.81	-42.67
CC(C)[C@H]1CC[C@@H](C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627472	1	38	-1.0	-49.57	275.35	6.83	-42.74
CC(C)N1C=C(C2CC2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004627473	0	36	-1.0	-55.49	294.64	6.33	-49.16
CC(C)N1C=C(C2CC2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004627473	1	36	-1.0	-55.41	294.78	6.30	-49.11
CN(C(=O)C1=CC=C(OCC(F)F)C=C1)C1=N[N-]N=N1	REAL250004627474	0	30	-1.0	-52.24	266.05	5.46	-46.78
CN(C(=O)C1=CC=C(OCC(F)F)C=C1)C1=NN=N[N-]1	REAL250004627474	1	30	-1.0	-52.29	265.91	5.46	-46.83
CN(C(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL250004627475	0	27	-1.0	-52.74	243.95	1.76	-50.98
CN(C(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL250004627475	1	27	-1.0	-52.68	244.09	1.77	-50.91
CN(C(=O)C1=NN(C)N=C1Br)C1=NN=N[N-]1	REAL250004627476	0	22	-1.0	-44.64	222.15	2.22	-42.42
CN(C(=O)C1=NN(C)N=C1Br)C1=N[N-]N=N1	REAL250004627476	1	22	-1.0	-44.56	222.29	2.21	-42.35
CN(C(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004627477	0	31	-1.0	-50.89	274.61	7.78	-43.11
CN(C(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004627477	1	31	-1.0	-45.75	275.22	7.77	-37.98
CN(C(=O)C1CCOC2(CCCCC2)C1)C1=N[N-]N=N1	REAL250004627478	0	40	-1.0	-31.44	290.64	6.25	-25.19
CN(C(=O)C1CCOC2(CCCCC2)C1)C1=NN=N[N-]1	REAL250004627478	1	40	-1.0	-31.48	290.60	6.27	-25.21
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004627479	0	35	-1.0	-49.29	282.63	8.35	-40.94
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004627479	1	35	-1.0	-49.21	282.77	8.33	-40.88
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(F)=C1F	REAL250004627480	0	27	-1.0	-41.78	245.14	4.36	-37.42
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(F)=C1F	REAL250004627480	1	27	-1.0	-41.83	245.00	4.35	-37.48
COC1=CC2=CC=CN=C2C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627481	0	32	-1.0	-57.60	274.29	4.84	-52.76
COC1=CC2=CC=CN=C2C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627481	1	32	-1.0	-57.51	274.44	4.82	-52.69
CN(C(=O)CC1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL250004627482	0	29	-1.0	-60.56	246.61	2.88	-57.68
CN(C(=O)CC1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL250004627482	1	29	-1.0	-60.62	246.48	2.91	-57.71
CN(C(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NN=N[N-]1	REAL250004627483	0	34	-1.0	-48.64	293.36	6.19	-42.45
CN(C(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=N[N-]N=N1	REAL250004627483	1	34	-1.0	-48.56	293.50	6.18	-42.38
CN(C(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=NN=N[N-]1	REAL250004627484	0	30	-1.0	-57.89	261.90	4.95	-52.94
CN(C(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=N[N-]N=N1	REAL250004627484	1	30	-1.0	-57.83	262.04	4.95	-52.88
CC1=C2NN=C(C(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004627485	0	29	-1.0	-49.91	252.55	4.93	-44.98
CC1=C2NN=C(C(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004627485	1	29	-1.0	-49.84	252.70	4.91	-44.93
CN(C(=O)C1CCC2(CCOCC2)O1)C1=N[N-]N=N1	REAL250004627486	0	35	-1.0	-51.93	274.36	4.23	-47.70
CN(C(=O)C1CCC2(CCOCC2)O1)C1=NN=N[N-]1	REAL250004627486	1	35	-1.0	-51.97	274.23	4.25	-47.72
CC1=CC=CC=C1C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004627487	0	32	-1.0	-44.15	281.06	7.27	-36.88
CC1=CC=CC=C1C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004627487	1	32	-1.0	-44.12	281.20	7.25	-36.87
CN(C(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NN=N[N-]1	REAL250004627488	0	28	-1.0	-44.91	249.21	5.75	-39.16
CN(C(=O)C1=CC=CC(C(C)(F)F)=N1)C1=N[N-]N=N1	REAL250004627488	1	28	-1.0	-44.79	249.36	5.75	-39.04
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004627489	0	29	-1.0	-34.73	253.88	6.96	-27.77
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004627489	1	29	-1.0	-34.80	253.73	6.97	-27.83
CN(C(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL250004627490	0	35	-1.0	-50.51	298.37	7.55	-42.96
CN(C(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL250004627490	1	35	-1.0	-50.38	298.51	7.55	-42.83
CN(C(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NN=N[N-]1	REAL250004627491	0	26	-1.0	-47.00	251.96	5.96	-41.04
CN(C(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=N[N-]N=N1	REAL250004627491	1	26	-1.0	-46.94	252.10	5.95	-40.99
CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL250004627492	0	35	-1.0	-34.86	275.65	0.53	-34.33
CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL250004627492	1	35	-1.0	-34.92	275.56	0.56	-34.36
CCCN1C=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004627493	0	29	-1.0	-50.52	265.78	5.53	-44.99
CCCN1C=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004627493	1	29	-1.0	-50.44	265.92	5.51	-44.93
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004627494	0	28	-1.0	-49.22	252.76	4.76	-44.46
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004627494	1	28	-1.0	-49.15	252.91	4.75	-44.40
COC(=O)C1CCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004627495	0	32	-1.0	-48.95	265.33	5.40	-43.55
COC(=O)C1CCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004627495	1	32	-1.0	-48.98	265.20	5.42	-43.56
CNC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=NC=CN=C21	REAL250004627496	0	29	-1.0	-46.94	272.61	1.39	-45.55
CNC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=NC=CN=C21	REAL250004627496	1	29	-1.0	-46.93	272.77	1.39	-45.54
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004627497	0	35	-1.0	-46.12	306.78	7.63	-38.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004627497	1	35	-1.0	-46.06	306.92	7.62	-38.44
CN(C(=O)C1(C2=NC=CC=C2F)CC1)C1=NN=N[N-]1	REAL250004627498	0	29	-1.0	-51.24	257.25	5.54	-45.70
CN(C(=O)C1(C2=NC=CC=C2F)CC1)C1=N[N-]N=N1	REAL250004627498	1	29	-1.0	-51.22	257.39	5.52	-45.70
CN(C(=O)C1=CC(C(N)=O)=CC=C1F)C1=NN=N[N-]1	REAL250004627499	0	27	-1.0	-56.65	240.55	1.75	-54.90
CN(C(=O)C1=CC(C(N)=O)=CC=C1F)C1=N[N-]N=N1	REAL250004627499	1	27	-1.0	-56.62	240.70	1.76	-54.86
CN(C(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=N[N-]N=N1	REAL250004627500	0	33	-1.0	-47.14	277.38	7.66	-39.48
CN(C(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=NN=N[N-]1	REAL250004627500	1	33	-1.0	-47.19	277.25	7.69	-39.50
CN(C(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=N[N-]N=N1	REAL250004627501	0	32	-1.0	-46.32	258.60	2.07	-44.25
CN(C(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=NN=N[N-]1	REAL250004627501	1	32	-1.0	-46.41	258.46	2.10	-44.31
CC1=CC(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=CS1	REAL250004627502	0	26	-1.0	-40.71	249.69	5.71	-35.00
CC1=CC(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=CS1	REAL250004627502	1	26	-1.0	-40.76	249.56	5.74	-35.02
CC1=NN(CC(F)(F)F)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627503	0	29	-1.0	-44.72	262.65	4.59	-40.13
CC1=NN(CC(F)(F)F)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627503	1	29	-1.0	-44.83	262.53	4.62	-40.21
CN(C(=O)CCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004627504	0	33	-1.0	-47.84	286.00	2.75	-45.09
CN(C(=O)CCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004627504	1	33	-1.0	-47.92	285.86	2.78	-45.14
CN(C(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004627505	0	28	-1.0	-48.70	254.52	2.19	-46.51
CN(C(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004627505	1	28	-1.0	-48.64	254.66	2.21	-46.43
CN(C(=O)CCCCCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL250004627506	0	42	-1.0	-48.71	350.46	5.09	-43.62
CN(C(=O)CCCCCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL250004627506	1	42	-1.0	-48.77	350.35	5.13	-43.64
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004627507	0	25	-1.0	-39.45	248.66	4.67	-34.78
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004627507	1	25	-1.0	-39.38	248.81	4.65	-34.73
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL250004627508	0	28	-1.0	-50.47	249.03	3.50	-46.97
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL250004627508	1	28	-1.0	-50.37	249.17	3.52	-46.85
CN(C(=O)C(F)(F)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004627509	0	26	-1.0	-44.37	241.13	3.79	-40.58
CN(C(=O)C(F)(F)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004627509	1	26	-1.0	-44.32	241.26	3.77	-40.55
CN(C(=O)C1(C)CCCCNC1=O)C1=N[N-]N=N1	REAL250004627510	0	33	-1.0	-40.17	240.98	2.91	-37.26
CN(C(=O)C1(C)CCCCNC1=O)C1=NN=N[N-]1	REAL250004627510	1	33	-1.0	-40.25	240.83	2.92	-37.33
CCNC(=O)N1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627511	0	38	-1.0	-54.44	297.05	3.81	-50.63
CCNC(=O)N1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627511	1	38	-1.0	-54.53	296.91	3.84	-50.69
COC1=CC([C@@H](C)CC(=O)N(C)C2=N[N-]N=N2)=CC=C1C	REAL250004627512	0	39	-1.0	-47.13	314.27	7.24	-39.89
COC1=CC([C@@H](C)CC(=O)N(C)C2=NN=N[N-]2)=CC=C1C	REAL250004627512	1	39	-1.0	-47.20	314.13	7.26	-39.94
C#CC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627513	0	29	-1.0	-53.73	266.04	7.05	-46.68
C#CC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627513	1	29	-1.0	-53.83	265.91	7.07	-46.76
CN(C(=O)C=CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL250004627514	0	35	-1.0	-49.17	292.65	6.54	-42.63
CN(C(=O)C=CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL250004627514	1	35	-1.0	-49.27	292.50	6.56	-42.71
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004627515	0	39	-1.0	-47.93	322.12	7.37	-40.56
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004627515	1	39	-1.0	-48.06	321.99	7.40	-40.66
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N(C)C2=NN=N[N-]2)C=N1	REAL250004627516	0	39	-1.0	-48.50	319.69	7.57	-40.93
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N(C)C2=N[N-]N=N2)C=N1	REAL250004627516	1	39	-1.0	-48.39	319.82	7.55	-40.84
CN(C(=O)C(C)(C)N1C=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004627517	0	36	-1.0	-35.29	284.62	5.88	-29.41
CN(C(=O)C(C)(C)N1C=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004627517	1	36	-1.0	-35.34	284.48	5.89	-29.45
CN(C(=O)C1CC2CCCCCCC21)C1=N[N-]N=N1	REAL250004627518	0	39	-1.0	-47.09	279.83	7.44	-39.65
CN(C(=O)C1CC2CCCCCCC21)C1=NN=N[N-]1	REAL250004627518	1	39	-1.0	-47.15	279.69	7.46	-39.69
CN(C(=O)C1=NN2CC3(CC3)CC2=C1)C1=N[N-]N=N1	REAL250004627519	0	31	-1.0	-49.97	263.73	5.55	-44.42
CN(C(=O)C1=NN2CC3(CC3)CC2=C1)C1=NN=N[N-]1	REAL250004627519	1	31	-1.0	-50.04	263.59	5.56	-44.48
COC12CCC(C(=O)N(C)C3=N[N-]N=N3)(CC1)C2	REAL250004627520	0	34	-1.0	-48.60	261.04	4.26	-44.34
COC12CCC(C(=O)N(C)C3=NN=N[N-]3)(CC1)C2	REAL250004627520	1	34	-1.0	-48.63	260.90	4.28	-44.35
CN(C(=O)CC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004627521	0	28	-1.0	-53.80	251.46	2.90	-50.90
CN(C(=O)CC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004627521	1	28	-1.0	-53.71	251.59	2.87	-50.84
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627522	0	29	-1.0	-43.54	272.91	5.07	-38.47
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627522	1	29	-1.0	-43.51	273.05	5.06	-38.45
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004627523	0	29	-1.0	-49.03	257.54	6.02	-43.01
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004627523	1	29	-1.0	-48.94	257.68	6.04	-42.90
CC(C)CC1=NC=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL250004627524	0	33	-1.0	-44.33	277.03	5.92	-38.41
CC(C)CC1=NC=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL250004627524	1	33	-1.0	-44.36	276.89	5.93	-38.43
CN(C(=O)C12CC3CC(CC(C3)O1)C2)C1=N[N-]N=N1	REAL250004627525	0	35	-1.0	-48.04	256.88	5.35	-42.69
CN(C(=O)C12CC3CC(CC(C3)O1)C2)C1=NN=N[N-]1	REAL250004627525	1	35	-1.0	-48.12	256.74	5.38	-42.74
CN(C(=O)C1(C2=CC=CS2)CCOCC1)C1=N[N-]N=N1	REAL250004627526	0	34	-1.0	-45.83	273.06	4.96	-40.87
CN(C(=O)C1(C2=CC=CS2)CCOCC1)C1=NN=N[N-]1	REAL250004627526	1	34	-1.0	-45.91	272.92	4.96	-40.95
CC1=CC=C(C(C(=O)N(C)C2=N[N-]N=N2)C2CC2)C=C1	REAL250004627527	0	36	-1.0	-48.23	292.41	8.27	-39.96
CC1=CC=C(C(C(=O)N(C)C2=NN=N[N-]2)C2CC2)C=C1	REAL250004627527	1	36	-1.0	-48.30	292.27	8.30	-40.00
CN(C(=O)C1=NN2C=CC=NC2=C1Cl)C1=NN=N[N-]1	REAL250004627528	0	25	-1.0	-54.96	242.94	4.90	-50.06
CN(C(=O)C1=NN2C=CC=NC2=C1Cl)C1=N[N-]N=N1	REAL250004627528	1	25	-1.0	-54.88	243.08	4.89	-49.99
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004627529	0	32	-1.0	-48.94	278.89	6.85	-42.09
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004627529	1	32	-1.0	-48.85	279.03	6.86	-41.99
CC1=CC(F)=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627530	0	33	-1.0	-47.11	274.35	7.28	-39.83
CC1=CC(F)=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627530	1	33	-1.0	-47.17	274.22	7.29	-39.88
CC1=CC=C(F)C=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627531	0	33	-1.0	-45.99	273.97	7.28	-38.71
CC1=CC=C(F)C=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627531	1	33	-1.0	-46.04	273.85	7.29	-38.75
CN(C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=N[N-]N=N1	REAL250004627532	0	32	-1.0	-49.81	282.73	7.54	-42.27
CN(C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=NN=N[N-]1	REAL250004627532	1	32	-1.0	-49.87	282.59	7.56	-42.31
COC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004627533	0	32	-1.0	-53.46	278.50	4.75	-48.71
COC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004627533	1	32	-1.0	-53.37	278.65	4.74	-48.63
COC(=O)[C@@H]1C[C@@]1(C(=O)N(C)C1=N[N-]N=N1)C(C)C	REAL250004627534	0	35	-1.0	-58.42	278.39	5.89	-52.53
COC(=O)[C@@H]1C[C@@]1(C(=O)N(C)C1=NN=N[N-]1)C(C)C	REAL250004627534	1	35	-1.0	-58.45	278.25	5.91	-52.54
CC1CC(C)(C(=O)N(C)C2=N[N-]N=N2)CC(C)O1	REAL250004627535	0	36	-1.0	-30.86	263.99	4.29	-26.57
CC1CC(C)(C(=O)N(C)C2=NN=N[N-]2)CC(C)O1	REAL250004627535	1	36	-1.0	-30.88	263.84	4.30	-26.58
COCCN1C=CC=C(C(=O)N(C)C2=N[N-]N=N2)C1=O	REAL250004627536	0	33	-1.0	-64.24	288.80	3.94	-60.30
COCCN1C=CC=C(C(=O)N(C)C2=NN=N[N-]2)C1=O	REAL250004627536	1	33	-1.0	-64.34	288.66	3.95	-60.39
CN(C(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NN=N[N-]1	REAL250004627537	0	31	-1.0	-57.09	261.20	4.38	-52.71
CN(C(=O)C1=CC=CC2=C1NC(=O)CC2)C1=N[N-]N=N1	REAL250004627537	1	31	-1.0	-57.00	261.34	4.37	-52.63
CC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004627539	0	29	-1.0	-41.05	257.62	6.36	-34.69
CC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004627539	1	29	-1.0	-41.14	257.48	6.40	-34.74
CN(C(=O)C1=CC=CN(C2CCC2)C1=O)C1=NN=N[N-]1	REAL250004627540	0	33	-1.0	-66.78	278.02	5.81	-60.97
CN(C(=O)C1=CC=CN(C2CCC2)C1=O)C1=N[N-]N=N1	REAL250004627540	1	33	-1.0	-66.80	278.16	5.80	-61.00
CN(C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL250004627541	0	26	-1.0	-42.31	247.75	5.98	-36.33
CN(C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL250004627541	1	26	-1.0	-42.34	247.62	6.01	-36.33
CN(C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL250004627542	0	26	-1.0	-52.00	243.46	5.74	-46.26
CN(C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL250004627542	1	26	-1.0	-52.06	243.33	5.76	-46.30
CCC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL250004627543	0	32	-1.0	-42.68	268.02	6.89	-35.79
CCC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL250004627543	1	32	-1.0	-42.73	267.89	6.92	-35.81
CN(C(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL250004627544	0	34	-1.0	-57.71	293.31	6.28	-51.43
CN(C(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL250004627544	1	34	-1.0	-57.63	293.45	6.26	-51.37
CN(C(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=N[N-]N=N1	REAL250004627545	0	34	-1.0	-52.11	283.35	4.62	-47.49
CN(C(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NN=N[N-]1	REAL250004627545	1	34	-1.0	-52.17	283.21	4.64	-47.53
CN(C(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL250004627546	0	25	-1.0	-44.63	250.70	4.77	-39.86
CN(C(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL250004627546	1	25	-1.0	-44.51	250.85	4.75	-39.76
CN(C(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004627547	0	29	-1.0	-62.70	256.10	4.18	-58.52
CN(C(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004627547	1	29	-1.0	-62.63	256.24	4.16	-58.47
COC1=C2NC=C(CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL250004627548	0	34	-1.0	-53.10	291.16	5.34	-47.76
COC1=C2NC=C(CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL250004627548	1	34	-1.0	-53.03	291.30	5.30	-47.73
CN(C(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL250004627549	0	27	-1.0	-43.41	257.02	6.08	-37.33
CN(C(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL250004627549	1	27	-1.0	-43.29	257.17	6.05	-37.24
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL250004627550	0	35	-1.0	-50.55	301.39	7.09	-43.46
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL250004627550	1	35	-1.0	-50.65	301.26	7.13	-43.52
CN(C(=O)C1=CC2=C(COCC2)N=C1Cl)C1=N[N-]N=N1	REAL250004627551	0	30	-1.0	-48.13	264.71	3.59	-44.54
CN(C(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NN=N[N-]1	REAL250004627551	1	30	-1.0	-48.22	264.57	3.59	-44.63
CN(C(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=N[N-]N=N1	REAL250004627552	0	32	-1.0	-65.44	280.25	2.53	-62.91
CN(C(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NN=N[N-]1	REAL250004627552	1	32	-1.0	-65.51	280.11	2.55	-62.96
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=C1CCCC2	REAL250004627553	0	34	-1.0	-46.28	278.99	5.88	-40.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=C1CCCC2	REAL250004627553	1	34	-1.0	-46.23	279.13	5.86	-40.37
CN(C(=O)C1=CC(CC2CCC2)=CN1)C1=NN=N[N-]1	REAL250004627554	0	34	-1.0	-49.18	279.02	6.92	-42.26
CN(C(=O)C1=CC(CC2CCC2)=CN1)C1=N[N-]N=N1	REAL250004627554	1	34	-1.0	-49.11	279.17	6.90	-42.21
COC(=O)C1=CSC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004627555	0	29	-1.0	-51.27	276.29	5.75	-45.52
COC(=O)C1=CSC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004627555	1	29	-1.0	-51.34	276.16	5.79	-45.55
COC(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL250004627556	0	32	-1.0	-52.81	289.23	6.66	-46.15
COC(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL250004627556	1	32	-1.0	-52.86	289.10	6.69	-46.17
CCCCN1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL250004627557	0	31	-1.0	-46.23	267.76	4.33	-41.90
CCCCN1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL250004627557	1	31	-1.0	-46.13	267.90	4.31	-41.82
C[C@H]1C(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004627558	0	32	-1.0	-53.94	271.17	3.99	-49.95
C[C@H]1C(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004627558	1	32	-1.0	-53.99	271.03	4.03	-49.96
CN(C(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL250004627559	0	37	-1.0	-56.52	282.25	3.10	-53.42
CN(C(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL250004627559	1	37	-1.0	-56.64	282.11	3.13	-53.51
COC(=O)[C@@H]1[C@H](C(=O)N(C)C2=N[N-]N=N2)C1(C)C	REAL250004627560	0	32	-1.0	-52.10	266.74	5.50	-46.60
COC(=O)[C@@H]1[C@H](C(=O)N(C)C2=NN=N[N-]2)C1(C)C	REAL250004627560	1	32	-1.0	-52.21	266.61	5.54	-46.67
CN(C(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL250004627561	0	35	-1.0	-53.28	285.53	4.41	-48.87
CN(C(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL250004627561	1	35	-1.0	-53.34	285.40	4.43	-48.91
CN(C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL250004627562	0	34	-1.0	-55.26	292.37	7.32	-47.94
CN(C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL250004627562	1	34	-1.0	-55.32	292.24	7.33	-47.99
CC1=NOC2(CC(C(=O)N(C)C3=N[N-]N=N3)C2)C1	REAL250004627563	0	31	-1.0	-47.64	261.07	4.41	-43.23
CC1=NOC2(CC(C(=O)N(C)C3=NN=N[N-]3)C2)C1	REAL250004627563	1	31	-1.0	-47.72	260.93	4.43	-43.29
CN(C(=O)C1=C2CCCCC2=NNC1=O)C1=NN=N[N-]1	REAL250004627565	0	32	-1.0	-54.65	267.22	2.88	-51.77
CN(C(=O)C1=C2CCCCC2=NNC1=O)C1=N[N-]N=N1	REAL250004627565	1	32	-1.0	-54.61	267.36	2.88	-51.73
CC(C)CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL250004627566	0	31	-1.0	-44.52	264.45	5.79	-38.73
CC(C)CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL250004627566	1	31	-1.0	-44.61	264.31	5.81	-38.80
CN(C(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL250004627567	0	33	-1.0	-46.14	283.54	3.65	-42.49
CN(C(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL250004627567	1	33	-1.0	-46.21	283.39	3.66	-42.55
CN(C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL250004627568	0	28	-1.0	-42.87	252.09	4.17	-38.70
CN(C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL250004627568	1	28	-1.0	-42.94	251.96	4.18	-38.76
CN(C(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL250004627569	0	30	-1.0	-46.62	251.68	3.22	-43.40
CN(C(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL250004627569	1	30	-1.0	-46.51	251.82	3.20	-43.31
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627570	0	31	-1.0	-42.98	269.93	6.91	-36.07
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627570	1	31	-1.0	-42.90	270.06	6.90	-36.00
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004627571	0	29	-1.0	-51.21	265.94	5.09	-46.12
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004627571	1	29	-1.0	-51.30	265.80	5.10	-46.20
CN(C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL250004627572	0	30	-1.0	-52.24	266.01	6.94	-45.30
CN(C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL250004627572	1	30	-1.0	-52.11	266.16	6.94	-45.17
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627573	0	32	-1.0	-44.10	280.53	7.31	-36.79
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627573	1	32	-1.0	-44.07	280.67	7.33	-36.74
CN(C(=O)C1=C2C=NNC2=CC=C1F)C1=NN=N[N-]1	REAL250004627574	0	26	-1.0	-51.28	241.75	3.79	-47.49
CN(C(=O)C1=C2C=NNC2=CC=C1F)C1=N[N-]N=N1	REAL250004627574	1	26	-1.0	-51.23	241.89	3.77	-47.46
CN(C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL250004627575	0	28	-1.0	-43.39	254.66	4.60	-38.79
CN(C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL250004627575	1	28	-1.0	-43.34	254.79	4.58	-38.76
CN(C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004627576	0	28	-1.0	-47.37	249.05	5.48	-41.89
CN(C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004627576	1	28	-1.0	-47.32	249.20	5.48	-41.84
CN(C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL250004627577	0	32	-1.0	-51.04	271.90	4.68	-46.36
CN(C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL250004627577	1	32	-1.0	-50.99	272.03	4.68	-46.31
CC(=O)NC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627578	0	33	-1.0	-58.75	277.09	5.37	-53.38
CC(=O)NC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627578	1	33	-1.0	-58.69	277.22	5.35	-53.34
CN(C(=O)C#CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL250004627579	0	25	-1.0	-44.67	250.56	6.77	-37.90
CN(C(=O)C#CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL250004627579	1	25	-1.0	-44.78	250.42	6.78	-38.00
CN(C(=O)C1=NC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL250004627580	0	34	-1.0	-50.55	266.00	5.51	-45.04
CN(C(=O)C1=NC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL250004627580	1	34	-1.0	-50.42	266.12	5.51	-44.91
CC1=C(F)C=CC=C1C1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627581	0	33	-1.0	-50.64	275.25	7.27	-43.37
CC1=C(F)C=CC=C1C1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627581	1	33	-1.0	-50.74	275.13	7.30	-43.44
CN(C(=O)C1(C2=CC=CS2)CCCC1)C1=N[N-]N=N1	REAL250004627582	0	33	-1.0	-46.57	267.84	6.81	-39.76
CN(C(=O)C1(C2=CC=CS2)CCCC1)C1=NN=N[N-]1	REAL250004627582	1	33	-1.0	-46.63	267.70	6.83	-39.80
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL250004627583	0	34	-1.0	-45.07	265.69	4.69	-40.38
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL250004627583	1	34	-1.0	-45.11	265.56	4.72	-40.39
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC2=NNN=C21	REAL250004627584	0	28	-1.0	-47.10	244.52	2.84	-44.26
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC2=NNN=C21	REAL250004627584	1	28	-1.0	-47.04	244.66	2.85	-44.19
CN(C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL250004627585	0	30	-1.0	-49.34	260.83	8.00	-41.34
CN(C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL250004627585	1	30	-1.0	-49.31	260.97	8.00	-41.31
CN(C(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL250004627586	0	31	-1.0	-51.20	273.00	3.67	-47.53
CN(C(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL250004627586	1	31	-1.0	-51.22	272.86	3.71	-47.51
CN(C(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NN=N[N-]1	REAL250004627587	0	32	-1.0	-46.01	276.30	5.62	-40.39
CN(C(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=N[N-]N=N1	REAL250004627587	1	32	-1.0	-45.93	276.44	5.63	-40.30
CN(C(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NN=N[N-]1	REAL250004627588	0	30	-1.0	-43.99	268.67	2.96	-41.03
CN(C(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=N[N-]N=N1	REAL250004627588	1	30	-1.0	-43.92	268.82	2.93	-40.99
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627589	0	30	-1.0	-55.77	252.15	2.43	-53.34
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627589	1	30	-1.0	-55.68	252.29	2.43	-53.25
CN(C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL250004627590	0	29	-1.0	-50.80	272.23	4.48	-46.32
CN(C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL250004627590	1	29	-1.0	-50.86	272.10	4.51	-46.35
CCC1=CN2CCC(C(=O)N(C)C3=N[N-]N=N3)CC2=N1	REAL250004627591	0	36	-1.0	-48.01	288.32	6.51	-41.50
CCC1=CN2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2=N1	REAL250004627591	1	36	-1.0	-48.11	288.19	6.53	-41.58
CN(C(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL250004627592	0	42	-1.0	-46.88	307.63	8.41	-38.47
CN(C(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL250004627592	1	42	-1.0	-46.96	307.49	8.42	-38.54
COC1=C2C(C(=O)N(C)C3=NN=N[N-]3)=CSC2=CC=C1	REAL250004627593	0	30	-1.0	-52.41	261.59	6.95	-45.46
COC1=C2C(C(=O)N(C)C3=N[N-]N=N3)=CSC2=CC=C1	REAL250004627593	1	30	-1.0	-52.31	261.73	6.94	-45.37
CN(C(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL250004627594	0	25	-1.0	-47.54	231.17	4.83	-42.71
CN(C(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL250004627594	1	25	-1.0	-47.45	231.32	4.80	-42.65
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL250004627595	0	28	-1.0	-65.08	248.11	3.52	-61.56
CN(C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL250004627595	1	28	-1.0	-64.99	248.24	3.51	-61.48
CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627596	0	29	-1.0	-52.29	265.43	6.05	-46.24
CCOC1=CC=C(Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627596	1	29	-1.0	-52.23	265.57	6.04	-46.19
COC(=O)CC1(CC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627597	0	32	-1.0	-46.73	268.35	5.62	-41.11
COC(=O)CC1(CC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627597	1	32	-1.0	-46.76	268.21	5.65	-41.11
CN(C(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL250004627598	0	29	-1.0	-43.67	262.00	5.33	-38.34
CN(C(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL250004627598	1	29	-1.0	-43.63	262.12	5.32	-38.31
CN(C(=O)C1=CC2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL250004627599	0	30	-1.0	-56.01	253.80	4.91	-51.10
CN(C(=O)C1=CC2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL250004627599	1	30	-1.0	-55.94	253.94	4.90	-51.04
CN(C(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL250004627600	0	30	-1.0	-55.77	267.72	4.88	-50.89
CN(C(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL250004627600	1	30	-1.0	-55.68	267.86	4.86	-50.82
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004627601	0	27	-1.0	-53.42	260.68	5.02	-48.40
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004627601	1	27	-1.0	-53.37	260.82	4.99	-48.38
CN(C(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NN=N[N-]1	REAL250004627602	0	28	-1.0	-60.81	254.17	5.39	-55.42
CN(C(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=N[N-]N=N1	REAL250004627602	1	28	-1.0	-60.73	254.31	5.40	-55.33
CN(C(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL250004627603	0	31	-1.0	-54.09	264.43	6.39	-47.70
CN(C(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL250004627603	1	31	-1.0	-53.99	264.57	6.36	-47.63
CN(C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=N[N-]N=N1	REAL250004627604	0	32	-1.0	-50.70	250.63	0.26	-50.44
CN(C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=NN=N[N-]1	REAL250004627604	1	32	-1.0	-50.77	250.49	0.27	-50.50
CC1CCCC(O)(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004627605	0	36	-1.0	-44.56	263.02	3.71	-40.85
CC1CCCC(O)(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004627605	1	36	-1.0	-44.56	262.89	3.71	-40.85
CN(C(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL250004627606	0	45	-1.0	-46.09	322.26	5.95	-40.14
CN(C(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL250004627606	1	45	-1.0	-46.18	322.12	5.98	-40.20
CCOC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CS1	REAL250004627607	0	27	-1.0	-53.65	246.38	4.48	-49.17
CCOC1=C(C(=O)N(C)C2=N[N-]N=N2)C=CS1	REAL250004627607	1	27	-1.0	-53.57	246.52	4.47	-49.10
CN(C(=O)C1=C2NC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL250004627608	0	27	-1.0	-45.27	237.31	5.12	-40.15
CN(C(=O)C1=C2NC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL250004627608	1	27	-1.0	-45.12	237.46	5.11	-40.01
CCC1=NNC(CC)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627609	0	35	-1.0	-50.67	290.39	4.93	-45.74
CCC1=NNC(CC)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL250004627609	1	35	-1.0	-50.53	290.53	4.90	-45.63
CN(C)C1=NC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C2O1	REAL250004627610	0	33	-1.0	-59.57	284.20	3.63	-55.94
CN(C)C1=NC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C2O1	REAL250004627610	1	33	-1.0	-59.51	284.34	3.60	-55.91
CN(C(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004627611	0	36	-1.0	-47.26	302.16	6.66	-40.60
CN(C(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004627611	1	36	-1.0	-47.35	302.02	6.68	-40.67
CCC(=CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL250004627613	0	33	-1.0	-46.16	275.39	7.53	-38.63
CCC(=CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL250004627613	1	33	-1.0	-46.06	275.54	7.53	-38.53
CN(C(=O)C1=CSN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004627615	0	29	-1.0	-46.59	267.56	6.19	-40.40
CN(C(=O)C1=CSN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004627615	1	29	-1.0	-46.51	267.72	6.17	-40.34
CN(C(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL250004627616	0	23	-1.0	-41.25	240.45	5.39	-35.86
CN(C(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL250004627616	1	23	-1.0	-41.31	240.31	5.41	-35.90
CN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004627617	0	29	-1.0	-47.38	271.04	1.48	-45.90
CN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004627617	1	29	-1.0	-47.37	270.98	1.46	-45.91
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC(F)=CC=C21	REAL250004627618	0	32	-1.0	-46.18	274.92	3.44	-42.74
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC(F)=CC=C21	REAL250004627618	1	32	-1.0	-46.21	274.97	3.46	-42.75
CC(C)CCO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004627619	0	45	-1.0	-48.97	358.05	4.91	-44.06
CC(C)CCO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004627619	1	45	-1.0	-49.00	358.10	4.93	-44.07
O=C(CCCC1=N[N-]N=N1)NCCCC1=CNNC1=O	REAL250004627620	0	36	-1.0	-60.73	311.92	-0.34	-61.07
O=C(CCCC1=NN=N[N-]1)NCCCC1=CNNC1=O	REAL250004627620	1	36	-1.0	-60.70	311.97	-0.32	-61.02
CC1=CC2=CC=NC(NC(=O)CCCC3=NN=N[N-]3)=C2C=C1	REAL250004627621	0	37	-1.0	-54.12	313.63	6.07	-48.05
CC1=CC2=CC=NC(NC(=O)CCCC3=N[N-]N=N3)=C2C=C1	REAL250004627621	1	37	-1.0	-54.03	313.57	6.06	-47.97
CC1=NNN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004627622	0	31	-1.0	-58.77	275.26	3.07	-55.70
CC1=NNN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004627622	1	31	-1.0	-58.52	275.32	3.09	-55.43
CC1=NNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004627623	0	28	-1.0	-37.93	261.10	-0.04	-37.97
CC1=NNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004627623	1	28	-1.0	-37.89	261.17	-0.01	-37.90
O=C(CCCC1=N[N-]N=N1)N1CC=CC12CCCCC2	REAL250004627625	0	40	-1.0	-44.11	298.42	5.38	-38.73
O=C(CCCC1=NN=N[N-]1)N1CC=CC12CCCCC2	REAL250004627625	1	40	-1.0	-44.09	298.48	5.39	-38.70
CN1C(=O)CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004627626	0	30	-1.0	-52.57	264.88	1.91	-50.66
CN1C(=O)CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004627626	1	30	-1.0	-52.57	264.94	1.93	-50.64
CN1C(=O)CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004627627	0	30	-1.0	-37.82	275.45	1.70	-36.12
CN1C(=O)CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004627627	1	30	-1.0	-37.79	275.52	1.71	-36.08
O=C(CCCC1=N[N-]N=N1)N1CCCC2=NNC=C2C1	REAL250004627628	0	36	-1.0	-51.94	292.96	2.93	-49.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2=NNC=C2C1	REAL250004627628	1	36	-1.0	-52.00	293.02	2.94	-49.06
O=C(CCCC1=N[N-]N=N1)N(CCO)CCOCCO	REAL250004627629	0	40	-1.0	-49.83	331.11	-2.70	-52.53
O=C(CCCC1=NN=N[N-]1)N(CCO)CCOCCO	REAL250004627629	1	40	-1.0	-49.83	331.17	-2.68	-52.51
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CNC(=O)C=C1	REAL250004627630	0	33	-1.0	-51.39	296.50	-0.87	-52.26
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CNC(=O)C=C1	REAL250004627630	1	33	-1.0	-51.38	296.56	-0.85	-52.23
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(CO)C1	REAL250004627631	0	38	-1.0	-45.65	295.74	-0.30	-45.95
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(CO)C1	REAL250004627631	1	38	-1.0	-45.65	295.80	-0.29	-45.94
CN1C=C(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)C=N1	REAL250004627632	0	39	-1.0	-52.41	332.03	4.28	-48.13
CN1C=C(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)C=N1	REAL250004627632	1	39	-1.0	-52.37	331.98	4.27	-48.10
N#CC1=C(N)N(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=C1	REAL250004627633	0	30	-1.0	-46.96	275.49	4.80	-42.16
N#CC1=C(N)N(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=C1	REAL250004627633	1	30	-1.0	-46.80	275.58	4.80	-42.00
N#CC1=C(N)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004627634	0	27	-1.0	-36.95	262.68	1.88	-35.07
N#CC1=C(N)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004627634	1	27	-1.0	-36.92	262.74	1.88	-35.04
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1C	REAL250004627635	0	35	-1.0	-47.08	298.52	2.56	-44.52
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1C	REAL250004627635	1	35	-1.0	-47.08	298.57	2.57	-44.51
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1C	REAL250004627636	0	35	-1.0	-39.72	309.12	2.34	-37.38
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1C	REAL250004627636	1	35	-1.0	-39.70	309.19	2.35	-37.35
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C1C(=O)NC=C2	REAL250004627637	0	36	-1.0	-63.56	292.25	4.55	-59.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C1C(=O)NC=C2	REAL250004627637	1	36	-1.0	-63.60	292.31	4.57	-59.03
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CCOC(=O)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627753	0	35	-1.0	-53.59	307.41	4.52	-49.07
CCOC(=O)CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627753	1	35	-1.0	-53.57	307.35	4.50	-49.07
CC(C)(C#N)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627754	0	33	-1.0	-49.80	291.43	3.44	-46.36
CC(C)(C#N)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627754	1	33	-1.0	-49.72	291.37	3.42	-46.30
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COC(=O)NCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627763	1	34	-1.0	-45.04	303.04	-0.27	-45.31
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CCCSCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627766	0	36	-1.0	-48.25	319.62	4.76	-43.49
CCCSCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627766	1	36	-1.0	-48.22	319.57	4.75	-43.47
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COC(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627773	1	33	-1.0	-50.12	286.05	2.69	-47.43
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CCC=C(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627775	0	36	-1.0	-48.32	302.29	4.73	-43.59
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CCOC(CC)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627777	0	39	-1.0	-49.27	324.31	4.34	-44.93
CCOC(CC)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627777	1	39	-1.0	-49.28	324.25	4.33	-44.95
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CS(=O)(=O)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627780	0	32	-1.0	-63.93	295.13	-0.36	-64.29
CS(=O)(=O)CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627780	1	32	-1.0	-63.87	295.07	-0.38	-64.25
COC(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627781	0	33	-1.0	-50.15	286.11	2.71	-47.44
COC(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627781	1	33	-1.0	-50.12	286.05	2.69	-47.43
CC(C)OCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627782	0	36	-1.0	-49.91	308.45	3.70	-46.21
CC(C)OCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627782	1	36	-1.0	-49.91	308.39	3.69	-46.22
CC(CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CC1	REAL250004627783	0	39	-1.0	-46.36	321.53	5.47	-40.89
CC(CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC1	REAL250004627783	1	39	-1.0	-46.37	321.47	5.45	-40.92
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CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)N=CO1	REAL250004627784	1	32	-1.0	-49.00	285.98	0.36	-48.64
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CC(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)N1C=CN=C1	REAL250004627789	0	36	-1.0	-50.98	311.67	4.77	-46.21
CC(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)N1C=CN=C1	REAL250004627789	1	36	-1.0	-51.01	311.73	4.78	-46.23
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CCCOCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627793	1	36	-1.0	-49.60	309.62	3.76	-45.84
COCCCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627794	0	39	-1.0	-46.88	330.27	3.26	-43.62
COCCCCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627794	1	39	-1.0	-46.90	330.21	3.25	-43.65
NC(=O)CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627795	0	36	-1.0	-58.43	312.78	0.26	-58.17
NC(=O)CCCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627795	1	36	-1.0	-58.44	312.72	0.24	-58.20
CCC(OC)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627797	0	36	-1.0	-48.91	302.64	3.41	-45.50
CCC(OC)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627797	1	36	-1.0	-48.91	302.59	3.40	-45.51
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CN1C=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=N1	REAL250004627799	0	36	-1.0	-49.99	316.45	3.42	-46.57
CN1C=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=N1	REAL250004627799	1	36	-1.0	-50.00	316.39	3.41	-46.59
CCC(C)(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627800	0	38	-1.0	-47.89	306.26	4.37	-43.52
CCC(C)(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627800	1	38	-1.0	-47.82	306.20	4.35	-43.47
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCCCCC1	REAL250004627801	0	42	-1.0	-47.58	325.96	5.69	-41.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCCCCC1	REAL250004627801	1	42	-1.0	-47.58	325.90	5.68	-41.90
COC(C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627802	0	36	-1.0	-47.53	306.41	3.24	-44.29
COC(C)CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627802	1	36	-1.0	-47.53	306.35	3.21	-44.32
CC1(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CCCC1	REAL250004627803	0	39	-1.0	-48.66	314.93	5.06	-43.60
CC1(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CCCC1	REAL250004627803	1	39	-1.0	-48.70	314.88	5.04	-43.66
CCCC(C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627804	0	41	-1.0	-46.49	331.55	5.43	-41.06
CCCC(C)CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627804	1	41	-1.0	-46.50	331.49	5.41	-41.09
C=CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627805	0	33	-1.0	-46.18	287.91	3.97	-42.21
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CCOCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627806	0	36	-1.0	-45.25	309.13	2.68	-42.57
CCOCCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627806	1	36	-1.0	-45.24	309.07	2.67	-42.57
COCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627807	0	33	-1.0	-45.30	287.27	1.72	-43.58
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CSC1(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL250004628066	0	34	-1.0	-46.01	309.16	4.43	-41.58
CSC1(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL250004628066	1	34	-1.0	-46.03	309.10	4.41	-41.62
CC(C)[C@H](O)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628067	0	36	-1.0	-46.52	300.74	2.02	-44.50
CC(C)[C@H](O)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628067	1	36	-1.0	-46.54	300.67	2.01	-44.53
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CC(C)[C@@H](O)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628071	1	36	-1.0	-46.54	300.84	2.04	-44.50
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CC(O)(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC1	REAL250004628072	1	37	-1.0	-44.50	309.71	1.76	-42.74
CC1(C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL250004628073	0	39	-1.0	-47.99	320.66	5.03	-42.96
CC1(C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL250004628073	1	39	-1.0	-47.99	320.60	5.02	-42.97
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O=C(CCCC1=N[N-]N=N1)NC1=NC=CC2=NC=CN=C21	REAL250004628523	1	32	-1.0	-54.06	284.36	1.70	-52.36
CN1N=C2CCCCC2=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004628524	0	39	-1.0	-49.61	317.02	4.20	-45.41
CN1N=C2CCCCC2=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004628524	1	39	-1.0	-49.64	317.08	4.21	-45.43
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CN=CS1	REAL250004628526	0	35	-1.0	-49.01	315.87	-0.86	-49.87
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CN=CS1	REAL250004628526	1	35	-1.0	-49.06	315.81	-0.87	-49.93
COC1=NC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004628527	0	37	-1.0	-53.98	322.45	-1.07	-55.05
COC1=NC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004628527	1	37	-1.0	-53.96	322.39	-1.09	-55.05
O=C(CCCC1=N[N-]N=N1)NCC1(F)CCOCC1	REAL250004628528	0	36	-1.0	-46.55	296.46	1.53	-45.02
O=C(CCCC1=NN=N[N-]1)NCC1(F)CCOCC1	REAL250004628528	1	36	-1.0	-46.55	296.52	1.54	-45.01
CC(C)OCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628529	0	38	-1.0	-52.65	319.64	4.16	-48.49
CC(C)OCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628529	1	38	-1.0	-52.49	319.72	4.18	-48.31
CC(C)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628530	0	35	-1.0	-36.54	305.49	1.06	-35.48
CC(C)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628530	1	35	-1.0	-36.52	305.56	1.07	-35.45
N#CC1=CC=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004628531	0	33	-1.0	-46.37	299.49	5.18	-41.19
N#CC1=CC=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004628531	1	33	-1.0	-46.37	299.55	5.19	-41.18
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H](C(F)(F)F)C1	REAL250004628532	0	35	-1.0	-47.70	294.31	4.51	-43.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H](C(F)(F)F)C1	REAL250004628532	1	35	-1.0	-47.71	294.36	4.53	-43.18
CNC(=O)C1=C(C)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004628533	0	36	-1.0	-55.87	317.23	-0.26	-56.13
CNC(=O)C1=C(C)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004628533	1	36	-1.0	-55.82	317.29	-0.25	-56.07
CC1(F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628534	0	35	-1.0	-46.66	282.44	4.23	-42.43
CC1(F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628534	1	35	-1.0	-46.70	282.50	4.25	-42.45
CC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004628535	0	35	-1.0	-35.36	290.50	4.42	-30.94
CC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004628535	1	35	-1.0	-35.35	290.57	4.44	-30.91
CC1=CC=CC=C1[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004628536	0	41	-1.0	-47.18	323.37	6.52	-40.66
CC1=CC=CC=C1[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004628536	1	41	-1.0	-47.10	323.43	6.53	-40.57
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004628537	0	41	-1.0	-47.08	325.78	6.48	-40.60
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004628537	1	41	-1.0	-47.07	325.84	6.50	-40.57
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(F)=C1	REAL250004628538	0	31	-1.0	-47.84	280.39	1.65	-46.19
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(F)=C1	REAL250004628538	1	31	-1.0	-47.85	280.45	1.67	-46.18
O=C(NCC1=CC=NC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628539	0	31	-1.0	-37.93	290.98	1.44	-36.49
O=C(NCC1=CC=NC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628539	1	31	-1.0	-37.97	291.05	1.45	-36.52
CC(CCC(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004628540	0	34	-1.0	-49.90	294.59	3.27	-46.63
CC(CCC(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004628540	1	34	-1.0	-49.88	294.65	3.29	-46.59
CC(CCC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628541	0	34	-1.0	-37.45	305.18	3.06	-34.39
CC(CCC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628541	1	34	-1.0	-37.43	305.25	3.08	-34.35
CC(CC1CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004628542	0	38	-1.0	-46.85	306.48	4.38	-42.47
CC(CC1CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004628542	1	38	-1.0	-46.83	306.54	4.39	-42.44
CC(CC1CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628543	0	38	-1.0	-35.64	319.12	4.12	-31.52
CC(CC1CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628543	1	38	-1.0	-35.64	319.19	4.14	-31.50
O=C(NC1COC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628544	0	30	-1.0	-53.20	261.07	1.85	-51.35
O=C(NC1COC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628544	1	30	-1.0	-53.01	261.17	1.88	-51.13
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=C1F	REAL250004628545	0	32	-1.0	-49.40	290.95	3.56	-45.84
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=C1F	REAL250004628545	1	32	-1.0	-49.42	291.01	3.58	-45.84
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CC2)CC1	REAL250004628546	0	42	-1.0	-46.18	332.61	5.19	-40.99
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CC2)CC1	REAL250004628546	1	42	-1.0	-46.21	332.67	5.20	-41.01
CS[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004628547	0	33	-1.0	-46.66	290.38	3.07	-43.59
CS[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004628547	1	33	-1.0	-46.69	290.44	3.08	-43.61
CS[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004628548	0	33	-1.0	-35.09	301.05	2.86	-32.23
CS[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004628548	1	33	-1.0	-35.02	301.12	2.87	-32.15
CON(C)C(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004628549	0	36	-1.0	-47.99	304.60	1.38	-46.61
CON(C)C(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004628549	1	36	-1.0	-48.02	304.66	1.39	-46.63
C#CCC(CCOC)NC(=O)CCCC1=N[N-]N=N1	REAL250004628550	0	37	-1.0	-48.51	314.91	2.46	-46.05
C#CCC(CCOC)NC(=O)CCCC1=NN=N[N-]1	REAL250004628550	1	37	-1.0	-48.51	314.97	2.48	-46.03
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2)CC1	REAL250004628551	0	39	-1.0	-48.49	301.01	5.69	-42.80
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2)CC1	REAL250004628551	1	39	-1.0	-48.53	301.07	5.71	-42.82
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CC2)CC1	REAL250004628552	0	39	-1.0	-36.06	306.08	6.43	-29.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CC2)CC1	REAL250004628552	1	39	-1.0	-36.05	306.15	6.44	-29.61
C#CCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004628553	0	34	-1.0	-46.62	299.16	1.80	-44.82
C#CCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004628553	1	34	-1.0	-46.61	299.22	1.81	-44.80
C#CCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628554	0	34	-1.0	-37.20	309.75	1.59	-35.61
C#CCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628554	1	34	-1.0	-37.21	309.82	1.61	-35.60
CN(CCNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004628555	0	36	-1.0	-50.70	303.80	0.50	-50.20
CN(CCNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004628555	1	36	-1.0	-50.70	303.86	0.51	-50.19
COC1=CN=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004628556	0	32	-1.0	-47.58	282.67	0.87	-46.71
COC1=CN=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004628556	1	32	-1.0	-47.61	282.62	0.85	-46.76
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CN=C1	REAL250004628557	0	35	-1.0	-49.93	303.52	-0.70	-50.63
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CN=C1	REAL250004628557	1	35	-1.0	-49.93	303.46	-0.72	-50.65
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004628558	0	35	-1.0	-52.47	307.44	2.61	-49.86
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004628558	1	35	-1.0	-52.49	307.38	2.59	-49.90
CN1NC(=O)C2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004628559	0	37	-1.0	-54.26	308.11	1.61	-52.65
CN1NC(=O)C2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004628559	1	37	-1.0	-54.26	308.17	1.62	-52.64
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=NC=C1	REAL250004628561	0	35	-1.0	-49.51	303.09	-0.60	-50.11
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=NC=C1	REAL250004628561	1	35	-1.0	-49.51	303.15	-0.58	-50.09
NC(=O)CN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628562	0	41	-1.0	-51.28	331.87	-2.29	-53.57
NC(=O)CN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628562	1	41	-1.0	-51.32	331.92	-2.27	-53.59
NS(=O)(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004628563	0	33	-1.0	-54.54	299.65	-4.48	-59.02
NS(=O)(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004628563	1	33	-1.0	-54.56	299.70	-4.47	-59.03
O=C(NC1=CC=NS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628564	0	28	-1.0	-54.78	262.40	4.06	-50.72
O=C(NC1=CC=NS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628564	1	28	-1.0	-54.53	262.50	4.08	-50.45
O=C(NC1=CC=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628565	0	25	-1.0	-36.05	248.67	0.96	-35.09
O=C(NC1=CC=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628565	1	25	-1.0	-36.03	248.61	0.95	-35.08
CC1(C)CC(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004628566	0	39	-1.0	-49.63	298.47	1.36	-48.27
CC1(C)CC(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004628566	1	39	-1.0	-49.68	298.53	1.38	-48.30
NC(=O)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004628567	0	31	-1.0	-54.92	272.18	-4.28	-59.20
NC(=O)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004628567	1	31	-1.0	-54.95	272.23	-4.26	-59.21
NC(=O)C1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004628568	0	31	-1.0	-41.87	280.06	-4.33	-46.20
NC(=O)C1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004628568	1	31	-1.0	-41.88	280.13	-4.31	-46.19
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(C2CC2)=N1	REAL250004628569	0	35	-1.0	-47.93	315.54	2.68	-45.25
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(C2CC2)=N1	REAL250004628569	1	35	-1.0	-47.89	315.59	2.69	-45.20
NC(=O)C(F)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628570	0	39	-1.0	-52.96	315.34	1.01	-51.95
NC(=O)C(F)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628570	1	39	-1.0	-52.99	315.40	1.03	-51.96
CC(C)N1N=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004628571	0	33	-1.0	-53.34	290.17	3.17	-50.17
CC(C)N1N=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004628571	1	33	-1.0	-53.27	290.11	3.16	-50.11
O=C(CCCC1=N[N-]N=N1)N1CCC2=NOC=C2C1	REAL250004628572	0	32	-1.0	-50.79	270.23	3.08	-47.71
O=C(CCCC1=NN=N[N-]1)N1CCC2=NOC=C2C1	REAL250004628572	1	32	-1.0	-50.80	270.28	3.09	-47.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=NOC=C2C1	REAL250004628573	0	32	-1.0	-36.89	277.55	3.30	-33.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=NOC=C2C1	REAL250004628573	1	32	-1.0	-36.86	277.62	3.31	-33.55
CCN1N=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004628574	0	35	-1.0	-50.01	297.10	3.48	-46.53
CCN1N=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004628574	1	35	-1.0	-50.00	297.15	3.49	-46.51
CCN1N=C(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628575	0	35	-1.0	-36.57	307.77	3.26	-33.31
CCN1N=C(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628575	1	35	-1.0	-36.57	307.83	3.28	-33.29
CO[C@H]1C[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004628576	0	36	-1.0	-53.55	304.03	3.81	-49.74
CO[C@H]1C[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004628576	1	36	-1.0	-53.30	303.83	3.84	-49.46
CO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004628577	0	33	-1.0	-35.31	289.94	0.72	-34.59
CO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004628577	1	33	-1.0	-35.30	290.00	0.72	-34.58
CC(=O)NCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004628578	0	42	-1.0	-51.93	328.23	3.56	-48.37
CC(=O)NCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004628578	1	42	-1.0	-51.88	328.28	3.58	-48.30
CC=CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004628579	0	42	-1.0	-47.36	330.90	6.27	-41.09
CC=CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004628579	1	42	-1.0	-47.39	330.96	6.28	-41.11
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC=CC(=O)C2=C1	REAL250004628581	0	35	-1.0	-72.38	304.01	3.20	-69.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC=CC(=O)C2=C1	REAL250004628581	1	35	-1.0	-72.43	304.07	3.22	-69.21
CC1=CC=CC=C1C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004628582	0	37	-1.0	-46.21	314.58	4.05	-42.16
CC1=CC=CC=C1C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004628582	1	37	-1.0	-46.20	314.64	4.06	-42.14
CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL250004628583	0	23	-1.0	-35.11	226.09	2.96	-32.15
CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL250004628583	1	23	-1.0	-35.09	226.14	2.96	-32.13
CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL250004628584	0	26	-1.0	-34.84	247.42	3.79	-31.05
CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL250004628584	1	26	-1.0	-34.86	247.47	3.79	-31.07
O=C(CO)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL250004628585	0	24	-1.0	-37.61	237.89	0.77	-36.84
O=C(CO)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL250004628585	1	24	-1.0	-37.63	237.94	0.78	-36.85
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CS(=O)(=O)C[C@H]1O	REAL250004628586	0	33	-1.0	-59.19	294.35	-4.80	-63.99
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CS(=O)(=O)C[C@H]1O	REAL250004628586	1	33	-1.0	-59.18	294.40	-4.79	-63.97
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC=N2)C1	REAL250004628587	0	35	-1.0	-49.42	298.78	3.79	-45.63
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC=N2)C1	REAL250004628587	1	35	-1.0	-49.43	298.84	3.81	-45.62
CN(C(=O)CCCC1=N[N-]N=N1)C1CS(=O)(=O)C1	REAL250004628589	0	32	-1.0	-54.41	277.63	-0.64	-55.05
CN(C(=O)CCCC1=NN=N[N-]1)C1CS(=O)(=O)C1	REAL250004628589	1	32	-1.0	-54.44	277.69	-0.62	-55.06
O=C(CCCC1=N[N-]N=N1)NC1COCCC1=O	REAL250004628590	0	32	-1.0	-53.37	275.02	-0.09	-53.46
O=C(CCCC1=NN=N[N-]1)NC1COCCC1=O	REAL250004628590	1	32	-1.0	-53.38	275.08	-0.08	-53.46
O=C(NC1COCCC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628591	0	32	-1.0	-39.63	285.61	-0.29	-39.92
O=C(NC1COCCC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628591	1	32	-1.0	-39.61	285.67	-0.28	-39.89
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2C[C@H]1CO2	REAL250004628592	0	34	-1.0	-55.38	276.78	4.20	-51.18
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H]2C[C@H]1CO2	REAL250004628592	1	34	-1.0	-55.12	276.89	4.21	-50.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@H]1CO2	REAL250004628593	0	31	-1.0	-37.51	265.65	1.89	-35.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1CO2	REAL250004628593	1	31	-1.0	-37.51	265.72	1.91	-35.60
C[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628594	0	32	-1.0	-53.04	275.41	4.89	-48.15
C[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628594	1	32	-1.0	-52.69	275.08	4.93	-47.76
CCOC(=O)C1=NC(NC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004628595	0	35	-1.0	-46.04	310.67	2.55	-43.49
CCOC(=O)C1=NC(NC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004628595	1	35	-1.0	-46.05	310.73	2.57	-43.48
CON(C)C(=O)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004628596	0	36	-1.0	-46.26	305.26	0.75	-45.51
CON(C)C(=O)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004628596	1	36	-1.0	-46.29	305.31	0.76	-45.53
COCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004628597	0	40	-1.0	-47.52	317.48	2.26	-45.26
COCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004628597	1	40	-1.0	-47.54	317.54	2.27	-45.27
CN(CCC1=CC=CC(C#N)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004628598	0	39	-1.0	-54.28	339.55	6.75	-47.53
CN(CCC1=CC=CC(C#N)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004628598	1	39	-1.0	-54.29	339.61	6.77	-47.52
O=C(CCCC1=N[N-]N=N1)N1CC=CC12CCCC2	REAL250004628599	0	37	-1.0	-48.36	295.31	5.29	-43.07
O=C(CCCC1=NN=N[N-]1)N1CC=CC12CCCC2	REAL250004628599	1	37	-1.0	-48.42	295.37	5.30	-43.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CC12CCCC2	REAL250004628600	0	37	-1.0	-37.36	302.55	5.40	-31.96
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CC12CCCC2	REAL250004628600	1	37	-1.0	-37.35	302.61	5.40	-31.95
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CC(F)(F)C2	REAL250004628601	0	36	-1.0	-49.49	308.19	3.93	-45.56
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CC(F)(F)C2	REAL250004628601	1	36	-1.0	-49.50	308.24	3.94	-45.56
NC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004628603	0	37	-1.0	-53.68	305.79	-0.40	-54.08
NC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004628603	1	37	-1.0	-53.70	305.85	-0.39	-54.09
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004628604	0	34	-1.0	-49.29	298.61	2.57	-46.72
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004628604	1	34	-1.0	-49.31	298.67	2.59	-46.72
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	REAL250004628605	0	37	-1.0	-52.03	294.31	1.38	-50.65
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	REAL250004628605	1	37	-1.0	-52.00	294.37	1.40	-50.60
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2CCC2)C1=O	REAL250004628606	0	40	-1.0	-59.99	325.11	2.68	-57.31
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2CCC2)C1=O	REAL250004628606	1	40	-1.0	-59.99	325.16	2.69	-57.30
CC1=CN=C2NCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004628607	0	37	-1.0	-50.69	302.06	3.35	-47.34
CC1=CN=C2NCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004628607	1	37	-1.0	-50.69	302.12	3.37	-47.32
O=C(CCCC1=N[N-]N=N1)NCCC1=CC(=O)NC=C1	REAL250004628608	0	35	-1.0	-57.65	305.26	1.15	-56.50
O=C(CCCC1=NN=N[N-]1)NCCC1=CC(=O)NC=C1	REAL250004628608	1	35	-1.0	-57.66	305.32	1.17	-56.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CNC1=O	REAL250004628609	0	32	-1.0	-58.22	282.70	0.40	-57.82
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CNC1=O	REAL250004628609	1	32	-1.0	-58.21	282.76	0.41	-57.80
O=C(NCC1=CC=CNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628610	0	32	-1.0	-47.00	293.30	0.18	-46.82
O=C(NCC1=CC=CNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628610	1	32	-1.0	-47.00	293.36	0.17	-46.83
C[C@]12CCCC[C@H]1CN2C(=O)CCCC1=N[N-]N=N1	REAL250004628611	0	39	-1.0	-49.64	303.87	5.05	-44.59
C[C@]12CCCC[C@H]1CN2C(=O)CCCC1=NN=N[N-]1	REAL250004628611	1	39	-1.0	-49.71	303.92	5.06	-44.65
C[C@]12CCCC[C@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628612	0	39	-1.0	-38.59	311.64	5.01	-33.58
C[C@]12CCCC[C@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628612	1	39	-1.0	-38.57	311.71	5.02	-33.55
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C(=O)OC[C@@H]2C1	REAL250004628613	0	33	-1.0	-49.83	278.23	3.06	-46.77
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C(=O)OC[C@@H]2C1	REAL250004628613	1	33	-1.0	-49.85	278.29	3.07	-46.78
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CS1	REAL250004628614	0	31	-1.0	-49.93	285.40	1.50	-48.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CS1	REAL250004628614	1	31	-1.0	-49.90	285.34	1.48	-48.42
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CS2)C1	REAL250004628615	0	36	-1.0	-48.12	319.39	5.58	-42.54
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CS2)C1	REAL250004628615	1	36	-1.0	-48.15	319.45	5.59	-42.56
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NS1	REAL250004628616	0	31	-1.0	-46.06	283.05	2.12	-43.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NS1	REAL250004628616	1	31	-1.0	-46.05	283.10	2.13	-43.92
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004628617	0	36	-1.0	-48.71	300.82	1.49	-47.22
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004628617	1	36	-1.0	-48.73	300.88	1.50	-47.23
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004628618	0	36	-1.0	-36.47	311.42	1.28	-35.19
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004628618	1	36	-1.0	-36.45	311.49	1.29	-35.16
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004628619	0	39	-1.0	-46.21	314.04	6.37	-39.84
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004628619	1	39	-1.0	-46.20	314.09	6.38	-39.82
CC1=CC(O)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004628620	0	33	-1.0	-51.45	285.43	1.18	-50.27
CC1=CC(O)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004628620	1	33	-1.0	-51.48	285.49	1.20	-50.28
CC1=CC(O)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004628621	0	33	-1.0	-38.21	296.31	0.97	-37.24
CC1=CC(O)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004628621	1	33	-1.0	-38.22	296.37	0.98	-37.24
CCC(O)(CC)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004628622	0	41	-1.0	-46.21	312.57	2.41	-43.80
CCC(O)(CC)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004628622	1	41	-1.0	-46.20	312.62	2.43	-43.77
O=C(CCCC1=N[N-]N=N1)NCC1CCCC12CC2	REAL250004628623	0	39	-1.0	-46.58	312.64	4.32	-42.26
O=C(CCCC1=NN=N[N-]1)NCC1CCCC12CC2	REAL250004628623	1	39	-1.0	-46.63	312.70	4.34	-42.29
O=C(NCC1CCCC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628624	0	39	-1.0	-34.67	323.77	4.11	-30.56
O=C(NCC1CCCC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628624	1	39	-1.0	-34.66	323.84	4.12	-30.54
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004628625	0	38	-1.0	-46.36	314.38	3.75	-42.61
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004628625	1	38	-1.0	-46.33	314.44	3.76	-42.57
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1F	REAL250004628626	0	35	-1.0	-45.51	285.64	3.20	-42.31
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1F	REAL250004628626	1	35	-1.0	-45.47	285.70	3.22	-42.25
O=C(N[C@@H]1CCCC[C@@H]1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628627	0	35	-1.0	-35.74	296.68	3.00	-32.74
O=C(N[C@@H]1CCCC[C@@H]1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628627	1	35	-1.0	-35.72	296.75	3.03	-32.69
CN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004628629	0	36	-1.0	-51.79	304.93	3.24	-48.55
CN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004628629	1	36	-1.0	-51.83	304.98	3.26	-48.57
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CN=C1	REAL250004628630	0	33	-1.0	-51.38	290.27	2.27	-49.11
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CN=C1	REAL250004628630	1	33	-1.0	-51.34	290.22	2.26	-49.08
O=C(NCCC1=CN=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628631	0	33	-1.0	-38.79	300.88	2.06	-36.73
O=C(NCCC1=CN=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628631	1	33	-1.0	-38.78	300.81	2.05	-36.73
COC(=O)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004628632	0	35	-1.0	-50.33	305.97	-0.69	-51.02
COC(=O)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004628632	1	35	-1.0	-50.31	306.02	-0.68	-50.99
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C(Cl)=C1	REAL250004628633	0	31	-1.0	-46.20	292.50	3.55	-42.65
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C(Cl)=C1	REAL250004628633	1	31	-1.0	-46.20	292.56	3.56	-42.64
O=C(CCCC1=N[N-]N=N1)NC1COC(C2CC2)C1	REAL250004628634	0	37	-1.0	-47.79	306.83	2.34	-45.45
O=C(CCCC1=NN=N[N-]1)NC1COC(C2CC2)C1	REAL250004628634	1	37	-1.0	-47.83	306.88	2.35	-45.48
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(=O)NC2	REAL250004628635	0	37	-1.0	-51.29	290.54	1.94	-49.35
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(=O)NC2	REAL250004628635	1	37	-1.0	-51.28	290.59	1.96	-49.32
C#CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628636	0	36	-1.0	-46.99	298.53	2.42	-44.57
C#CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628636	1	36	-1.0	-46.98	298.59	2.43	-44.55
C#CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004628637	0	36	-1.0	-36.29	306.54	2.62	-33.67
C#CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004628637	1	36	-1.0	-36.26	306.60	2.64	-33.62
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN2C=CN=C21	REAL250004628638	0	33	-1.0	-69.61	280.12	7.77	-61.84
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN2C=CN=C21	REAL250004628638	1	33	-1.0	-69.47	280.23	7.78	-61.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=CN=C21	REAL250004628639	0	30	-1.0	-44.09	265.36	6.49	-37.60
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=CN=C21	REAL250004628639	1	30	-1.0	-44.13	265.30	6.49	-37.64
CC1CC2=CN=CC=C2N1C(=O)CCCC1=NN=N[N-]1	REAL250004628640	0	35	-1.0	-46.18	286.51	4.22	-41.96
CC1CC2=CN=CC=C2N1C(=O)CCCC1=N[N-]N=N1	REAL250004628640	1	35	-1.0	-46.17	286.45	4.21	-41.96
C#CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004628641	0	31	-1.0	-58.74	273.64	5.74	-53.00
C#CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004628641	1	31	-1.0	-58.60	273.73	5.76	-52.84
C#CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004628642	0	28	-1.0	-39.66	261.84	3.22	-36.44
C#CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004628642	1	28	-1.0	-39.61	261.91	3.23	-36.38
CC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004628643	0	34	-1.0	-47.00	291.46	2.18	-44.82
CC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004628643	1	34	-1.0	-47.04	291.52	2.20	-44.84
CC1=NC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628644	0	34	-1.0	-37.07	301.88	2.26	-34.81
CC1=NC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628644	1	34	-1.0	-37.09	301.95	2.26	-34.83
COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004628645	0	38	-1.0	-51.25	327.69	0.95	-50.30
COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004628645	1	38	-1.0	-51.25	327.63	0.94	-50.31
COCCOCC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004628646	0	37	-1.0	-51.57	324.70	-0.50	-52.07
COCCOCC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004628646	1	37	-1.0	-51.60	324.76	-0.48	-52.08
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004628647	0	37	-1.0	-49.49	311.49	3.09	-46.40
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004628647	1	37	-1.0	-49.49	311.54	3.10	-46.39
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC2CC2C1	REAL250004628649	0	39	-1.0	-46.05	311.06	4.51	-41.54
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC2CC2C1	REAL250004628649	1	39	-1.0	-46.07	311.12	4.53	-41.54
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CC2C1	REAL250004628650	0	39	-1.0	-34.69	321.66	4.31	-30.38
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2CC2C1	REAL250004628650	1	39	-1.0	-34.68	321.73	4.31	-30.37
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(O)C=CC=C2C1	REAL250004628651	0	37	-1.0	-48.73	305.16	3.02	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(O)C=CC=C2C1	REAL250004628651	1	37	-1.0	-48.72	305.21	3.04	-45.68
CC(C)(F)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628652	0	34	-1.0	-51.29	289.62	4.97	-46.32
CC(C)(F)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628652	1	34	-1.0	-51.09	289.70	5.00	-46.09
CC(C)(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004628653	0	31	-1.0	-36.03	275.47	1.88	-34.15
CC(C)(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004628653	1	31	-1.0	-35.99	275.54	1.89	-34.10
C[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004628654	0	32	-1.0	-53.04	275.41	4.89	-48.15
C[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004628654	1	32	-1.0	-52.69	275.08	4.93	-47.76
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1O	REAL250004628655	0	39	-1.0	-51.82	305.97	1.71	-50.11
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1O	REAL250004628655	1	39	-1.0	-51.79	306.03	1.72	-50.07
O=C(C1=CC=C2CCCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628656	0	38	-1.0	-56.75	298.43	3.48	-53.27
O=C(C1=CC=C2CCCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628656	1	38	-1.0	-56.76	298.50	3.49	-53.27
O=C(CCC1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628657	0	34	-1.0	-50.92	291.37	2.56	-48.36
O=C(CCC1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628657	1	34	-1.0	-50.92	291.44	2.58	-48.34
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004628658	0	30	-1.0	-50.04	252.79	0.33	-49.71
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004628658	1	30	-1.0	-50.01	252.86	0.35	-49.66
O=C(C1=CC=CC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628659	0	31	-1.0	-50.65	259.16	1.64	-49.01
O=C(C1=CC=CC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628659	1	31	-1.0	-50.64	259.23	1.65	-48.99
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628660	0	34	-1.0	-56.32	274.35	2.25	-54.07
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628660	1	34	-1.0	-56.30	274.28	2.24	-54.06
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCOCC1C1=N[N-]N=N1	REAL250004628661	0	30	-1.0	-43.41	266.48	0.64	-42.77
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCOCC1C1=NN=N[N-]1	REAL250004628661	1	30	-1.0	-43.40	266.54	0.66	-42.74
O=C(C1=CC=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004628662	0	31	-1.0	-56.21	266.15	2.07	-54.14
O=C(C1=CC=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004628662	1	31	-1.0	-56.20	266.22	2.11	-54.09
O=C(C1=CC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628663	0	30	-1.0	-54.55	249.45	0.76	-53.79
O=C(C1=CC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628663	1	30	-1.0	-54.57	249.39	0.76	-53.81
CC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004628664	0	35	-1.0	-52.93	293.24	2.20	-50.73
CC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004628664	1	35	-1.0	-52.93	293.31	2.20	-50.73
O=C(C1CC2C=CC1C2)N1CCOCC1C1=N[N-]N=N1	REAL250004628665	0	36	-1.0	-53.34	274.23	2.24	-51.10
O=C(C1CC2C=CC1C2)N1CCOCC1C1=NN=N[N-]1	REAL250004628665	1	36	-1.0	-53.31	274.30	2.26	-51.05
CC1=CC=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628666	0	37	-1.0	-52.40	296.85	3.21	-49.19
CC1=CC=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628666	1	37	-1.0	-52.39	296.91	3.22	-49.17
O=C(C1=COCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628667	0	31	-1.0	-57.14	251.64	-1.05	-58.19
O=C(C1=COCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628667	1	31	-1.0	-57.12	251.77	-1.05	-58.17
O=C(C1=CNC(=O)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628668	0	31	-1.0	-50.34	257.47	-1.48	-51.82
O=C(C1=CNC(=O)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628668	1	31	-1.0	-50.33	257.53	-1.46	-51.79
O=C(CN1C=CC=CC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628669	0	34	-1.0	-61.78	283.87	1.23	-60.55
O=C(CN1C=CC=CC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628669	1	34	-1.0	-61.77	283.94	1.24	-60.53
CC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628670	0	38	-1.0	-54.37	309.89	3.93	-50.44
CC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628670	1	38	-1.0	-54.35	309.95	3.94	-50.41
O=C(C1=CC=CN=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004628671	0	30	-1.0	-57.69	261.21	0.28	-57.41
O=C(C1=CC=CN=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004628671	1	30	-1.0	-57.68	261.14	0.25	-57.43
O=C(C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628672	0	31	-1.0	-54.95	252.85	1.57	-53.38
O=C(C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628672	1	31	-1.0	-54.92	252.79	1.56	-53.36
O=C(CC1=CC=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004628673	0	34	-1.0	-54.95	285.52	2.68	-52.27
O=C(CC1=CC=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004628673	1	34	-1.0	-54.97	285.58	2.69	-52.28
O=C(CCC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628674	0	37	-1.0	-51.52	301.55	3.46	-48.06
O=C(CCC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628674	1	37	-1.0	-51.56	301.62	3.47	-48.09
O=C(C1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628675	0	37	-1.0	-52.96	278.91	2.05	-50.91
O=C(C1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628675	1	37	-1.0	-52.98	278.96	2.06	-50.92
CC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628676	0	34	-1.0	-64.25	280.55	-2.01	-66.26
CC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628676	1	34	-1.0	-64.30	280.62	-1.98	-66.28
CC(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628677	0	36	-1.0	-52.49	280.30	1.74	-50.75
CC(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628677	1	36	-1.0	-52.46	280.37	1.76	-50.70
O=C(C1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628678	0	32	-1.0	-58.12	252.33	-0.07	-58.19
O=C(C1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628678	1	32	-1.0	-58.16	252.39	-0.06	-58.22
O=C(CN1C(=O)CNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628679	0	33	-1.0	-59.72	280.07	-2.85	-62.57
O=C(CN1C(=O)CNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628679	1	33	-1.0	-59.74	280.14	-2.84	-62.58
O=C(C1=CC=C(CO)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628680	0	35	-1.0	-55.61	285.59	-1.11	-56.72
O=C(C1=CC=C(CO)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628680	1	35	-1.0	-55.60	285.66	-1.10	-56.70
CC1=CC=CC=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628681	0	38	-1.0	-54.49	306.15	3.71	-50.78
CC1=CC=CC=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628681	1	38	-1.0	-54.43	306.21	3.73	-50.70
CC1=CC=CC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628682	0	38	-1.0	-54.65	309.99	3.84	-50.81
CC1=CC=CC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628682	1	38	-1.0	-54.71	310.06	3.87	-50.84
O=C(CN1C(=O)CCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628683	0	34	-1.0	-59.19	285.42	-0.33	-59.52
O=C(CN1C(=O)CCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628683	1	34	-1.0	-59.14	285.49	-0.31	-59.45
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)N1C	REAL250004628684	0	38	-1.0	-56.38	296.88	2.25	-54.13
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)N1C	REAL250004628684	1	38	-1.0	-56.38	296.95	2.25	-54.13
CC1=NC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004628685	0	33	-1.0	-56.91	285.13	0.56	-56.35
CC1=NC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004628685	1	33	-1.0	-56.94	285.20	0.58	-56.36
CSCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628686	0	31	-1.0	-49.43	264.47	0.91	-48.52
CSCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628686	1	31	-1.0	-49.42	264.54	0.94	-48.48
CC(C)(C)SCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628687	0	37	-1.0	-54.41	299.54	2.14	-52.27
CC(C)(C)SCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628687	1	37	-1.0	-54.47	299.61	2.14	-52.33
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CC1=O	REAL250004628688	0	33	-1.0	-48.44	275.33	-0.74	-49.18
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CC1=O	REAL250004628688	1	33	-1.0	-48.45	275.40	-0.74	-49.19
O=C(C1=CC=[N+]([O-])C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628689	0	31	-1.0	-55.52	260.15	0.19	-55.33
O=C(C1=CC=[N+]([O-])C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628689	1	31	-1.0	-55.53	260.21	0.20	-55.33
O=C(CCC1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628690	0	43	-1.0	-52.46	322.33	3.63	-48.83
O=C(CCC1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628690	1	43	-1.0	-52.47	322.40	3.63	-48.84
O=C(C1=CC=C(Cl)S1)N1CCOCC1C1=N[N-]N=N1	REAL250004628691	0	28	-1.0	-48.81	261.80	1.21	-47.60
O=C(C1=CC=C(Cl)S1)N1CCOCC1C1=NN=N[N-]1	REAL250004628691	1	28	-1.0	-48.80	261.87	1.22	-47.58
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004628692	0	31	-1.0	-52.02	257.94	0.83	-51.19
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004628692	1	31	-1.0	-52.01	258.00	0.85	-51.16
N#CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628693	0	32	-1.0	-59.03	273.59	1.95	-57.08
N#CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628693	1	32	-1.0	-59.03	273.66	1.97	-57.06
O=C(CC1=CC=CC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628694	0	34	-1.0	-52.46	286.11	2.74	-49.72
O=C(CC1=CC=CC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628694	1	34	-1.0	-52.50	286.18	2.75	-49.75
O=C(CC1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628695	0	40	-1.0	-53.14	299.58	2.95	-50.19
O=C(CC1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628695	1	40	-1.0	-53.15	299.66	2.96	-50.19
CC(=O)NC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628696	0	34	-1.0	-47.20	277.04	-2.08	-49.28
CC(=O)NC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628696	1	34	-1.0	-47.22	277.11	-2.08	-49.30
CC(NC(N)=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628697	0	33	-1.0	-47.74	269.95	-4.86	-52.60
CC(NC(N)=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628697	1	33	-1.0	-47.75	270.02	-4.85	-52.60
O=C(C1=CC2=CC=CC=C2O1)N1CCOCC1C1=NN=N[N-]1	REAL250004628698	0	34	-1.0	-51.41	283.49	2.28	-49.13
O=C(C1=CC2=CC=CC=C2O1)N1CCOCC1C1=N[N-]N=N1	REAL250004628698	1	34	-1.0	-51.40	283.42	2.28	-49.12
O=C(C1=NNC(=O)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628699	0	30	-1.0	-47.14	253.99	-2.35	-49.49
O=C(C1=NNC(=O)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628699	1	30	-1.0	-47.13	254.06	-2.33	-49.46
O=C(CC1=CC=C(F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628700	0	34	-1.0	-51.58	286.56	2.72	-48.86
O=C(CC1=CC=C(F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628700	1	34	-1.0	-51.60	286.63	2.73	-48.87
CC(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628701	0	32	-1.0	-48.52	264.44	0.35	-48.17
CC(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628701	1	32	-1.0	-48.48	264.51	0.38	-48.10
O=C(C1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628702	0	28	-1.0	-52.97	244.75	0.60	-52.37
O=C(C1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628702	1	28	-1.0	-52.96	244.82	0.60	-52.36
CC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628703	0	32	-1.0	-53.33	266.59	-0.62	-53.95
CC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628703	1	32	-1.0	-53.34	266.65	-0.62	-53.96
O=C(C1=CC=C(F)C=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004628704	0	31	-1.0	-57.13	264.27	1.71	-55.42
O=C(C1=CC=C(F)C=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004628704	1	31	-1.0	-57.09	264.34	1.73	-55.36
O=C(CC1=CSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628705	0	31	-1.0	-51.34	269.68	1.61	-49.73
O=C(CC1=CSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628705	1	31	-1.0	-51.33	269.75	1.63	-49.70
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628706	0	34	-1.0	-55.06	274.41	2.24	-52.82
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628706	1	34	-1.0	-55.05	274.34	2.23	-52.82
O=C(COC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628707	0	35	-1.0	-58.10	289.07	2.44	-55.66
O=C(COC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628707	1	35	-1.0	-58.12	289.14	2.44	-55.68
COC1=CC=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628708	0	35	-1.0	-59.84	280.67	1.77	-58.07
COC1=CC=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628708	1	35	-1.0	-59.86	280.74	1.80	-58.06
CC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628709	0	31	-1.0	-47.48	258.40	-2.69	-50.17
CC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628709	1	31	-1.0	-47.50	258.46	-2.66	-50.16
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC=C1	REAL250004628710	0	31	-1.0	-52.34	265.03	1.24	-51.10
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC=C1	REAL250004628710	1	31	-1.0	-52.35	265.10	1.25	-51.10
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628711	0	31	-1.0	-52.98	267.20	1.39	-51.59
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628711	1	31	-1.0	-52.99	267.27	1.39	-51.60
O=C(C1=CC=CC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628712	0	31	-1.0	-50.69	269.49	2.08	-48.61
O=C(C1=CC=CC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628712	1	31	-1.0	-50.70	269.55	2.10	-48.60
O=C(C=CC1=CC=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628713	0	32	-1.0	-52.95	271.09	1.46	-51.49
O=C(C=CC1=CC=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628713	1	32	-1.0	-52.97	271.15	1.46	-51.51
COC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628714	0	35	-1.0	-55.30	282.22	0.88	-54.42
COC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628714	1	35	-1.0	-55.32	282.29	0.89	-54.43
O=C(C1=CC=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004628715	0	31	-1.0	-61.62	257.87	1.64	-59.98
O=C(C1=CC=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004628715	1	31	-1.0	-61.63	257.94	1.66	-59.97
O=C(C1CCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628716	0	32	-1.0	-59.23	261.27	-2.54	-61.77
O=C(C1CCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628716	1	32	-1.0	-59.23	261.34	-2.53	-61.76
CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628717	0	37	-1.0	-54.14	295.66	3.01	-51.13
CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628717	1	37	-1.0	-54.14	295.73	3.01	-51.13
O=C(C1=NNC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004628718	0	34	-1.0	-56.79	281.14	0.92	-55.87
O=C(C1=NNC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004628718	1	34	-1.0	-56.83	281.06	0.90	-55.93
COC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628719	0	35	-1.0	-59.79	282.22	0.87	-58.92
COC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628719	1	35	-1.0	-59.81	282.29	0.89	-58.92
O=C(C1=CC=C[N+]([O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628720	0	31	-1.0	-54.01	260.11	0.09	-53.92
O=C(C1=CC=C[N+]([O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628720	1	31	-1.0	-54.00	260.17	0.10	-53.90
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=C1	REAL250004628721	0	37	-1.0	-52.36	294.61	3.07	-49.29
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=C1	REAL250004628721	1	37	-1.0	-52.38	294.55	3.06	-49.32
O=C(C1=CC=C(Cl)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628722	0	30	-1.0	-47.97	264.74	0.14	-47.83
O=C(C1=CC=C(Cl)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628722	1	30	-1.0	-47.94	264.68	0.14	-47.80
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628723	0	32	-1.0	-53.05	273.63	1.96	-51.09
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628723	1	32	-1.0	-53.06	273.70	1.97	-51.09
O=C(C1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628724	0	34	-1.0	-52.98	260.81	1.41	-51.57
O=C(C1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628724	1	34	-1.0	-53.02	260.87	1.42	-51.60
CC1=CC=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628725	0	34	-1.0	-52.67	273.20	2.39	-50.28
CC1=CC=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628725	1	34	-1.0	-52.67	273.14	2.38	-50.29
CC1=CC=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628726	0	37	-1.0	-52.80	295.52	3.02	-49.78
CC1=CC=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628726	1	37	-1.0	-52.79	295.46	3.01	-49.78
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC(C)=C1	REAL250004628727	0	37	-1.0	-55.59	294.92	2.95	-52.64
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC(C)=C1	REAL250004628727	1	37	-1.0	-55.60	294.86	2.94	-52.66
O=C(CCC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628728	0	40	-1.0	-52.74	305.84	3.06	-49.68
O=C(CCC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628728	1	40	-1.0	-52.79	305.91	3.06	-49.73
O=C(C1=CC=CC(Cl)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628729	0	30	-1.0	-49.79	267.05	1.05	-48.74
O=C(C1=CC=CC(Cl)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628729	1	30	-1.0	-49.80	266.98	1.04	-48.76
O=C(C1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628730	0	30	-1.0	-52.76	247.89	-0.19	-52.95
O=C(C1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628730	1	30	-1.0	-52.76	247.82	-0.19	-52.95
O=C(C1=CC=C(F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628731	0	31	-1.0	-51.06	259.17	1.63	-49.43
O=C(C1=CC=C(F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628731	1	31	-1.0	-51.06	259.24	1.64	-49.42
O=C(C1=CC=C(Cl)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628732	0	31	-1.0	-50.97	269.49	2.08	-48.89
O=C(C1=CC=C(Cl)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628732	1	31	-1.0	-50.97	269.57	2.09	-48.88
O=C(C1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628733	0	30	-1.0	-51.78	247.88	-0.28	-52.06
O=C(C1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628733	1	30	-1.0	-51.76	247.81	-0.28	-52.04
O=C(CC1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628734	0	31	-1.0	-51.47	269.92	1.79	-49.68
O=C(CC1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628734	1	31	-1.0	-51.50	269.99	1.81	-49.69
CC1=NOC(C)=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628735	0	36	-1.0	-55.88	296.98	1.45	-54.43
CC1=NOC(C)=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628735	1	36	-1.0	-55.96	297.05	1.47	-54.49
O=C(C1=CC=C(F)C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628736	0	31	-1.0	-53.95	265.58	1.70	-52.25
O=C(C1=CC=C(F)C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628736	1	31	-1.0	-53.94	265.65	1.70	-52.24
O=C(C1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628737	0	35	-1.0	-53.95	269.41	-0.47	-54.42
O=C(C1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628737	1	35	-1.0	-53.98	269.47	-0.45	-54.43
O=C(CCC1=CSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628738	0	34	-1.0	-50.74	291.13	2.39	-48.35
O=C(CCC1=CSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628738	1	34	-1.0	-50.76	291.20	2.42	-48.34
O=C(CC1C=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628739	0	35	-1.0	-53.73	275.40	2.22	-51.51
O=C(CC1C=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628739	1	35	-1.0	-53.69	275.47	2.25	-51.44
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)S1	REAL250004628740	0	34	-1.0	-53.10	283.84	2.15	-50.95
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)S1	REAL250004628740	1	34	-1.0	-53.09	283.91	2.18	-50.91
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CO1	REAL250004628741	0	31	-1.0	-52.73	254.24	0.49	-52.24
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CO1	REAL250004628741	1	31	-1.0	-52.73	254.30	0.49	-52.24
NC(=O)NCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628742	0	39	-1.0	-63.14	316.47	-3.22	-66.36
NC(=O)NCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628742	1	39	-1.0	-63.17	316.53	-3.19	-66.36
O=C(C1=CSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628743	0	28	-1.0	-54.91	243.18	0.60	-54.31
O=C(C1=CSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628743	1	28	-1.0	-54.89	243.24	0.61	-54.28
O=C(C1=CC(F)=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004628744	0	31	-1.0	-55.36	264.26	1.71	-53.65
O=C(C1=CC(F)=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004628744	1	31	-1.0	-55.38	264.33	1.73	-53.65
O=C(CCC1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628745	0	36	-1.0	-52.01	295.98	1.68	-50.33
O=C(CCC1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628745	1	36	-1.0	-51.95	296.05	1.71	-50.24
CC(C)(C)C(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628746	0	40	-1.0	-46.95	317.14	-0.64	-47.59
CC(C)(C)C(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628746	1	40	-1.0	-46.95	317.21	-0.62	-47.57
O=C(C1=CC2=CC=CC=C2N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628747	0	35	-1.0	-53.61	285.83	2.08	-51.53
O=C(C1=CC2=CC=CC=C2N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628747	1	35	-1.0	-53.59	285.77	2.08	-51.51
O=C(CN1CCCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628748	0	35	-1.0	-61.10	285.17	0.29	-60.81
O=C(CN1CCCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628748	1	35	-1.0	-61.12	285.24	0.29	-60.83
CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628749	0	37	-1.0	-52.34	301.56	3.33	-49.01
CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628749	1	37	-1.0	-52.36	301.62	3.34	-49.02
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SN=N1	REAL250004628750	0	32	-1.0	-46.52	275.51	-0.40	-46.92
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SN=N1	REAL250004628750	1	32	-1.0	-46.50	275.59	-0.41	-46.91
O=C(C1=CN2C=CC=CC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628751	0	34	-1.0	-55.76	282.54	3.03	-52.73
O=C(C1=CN2C=CC=CC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628751	1	34	-1.0	-55.70	282.47	3.00	-52.70
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1F	REAL250004628752	0	34	-1.0	-56.91	278.74	2.33	-54.58
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1F	REAL250004628752	1	34	-1.0	-56.92	278.80	2.35	-54.57
O=C(CN1CCSC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628753	0	33	-1.0	-60.18	283.63	-0.04	-60.22
O=C(CN1CCSC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628753	1	33	-1.0	-60.18	283.69	-0.01	-60.19
CC(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628754	0	35	-1.0	-64.44	285.82	1.14	-63.30
CC(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628754	1	35	-1.0	-64.46	285.89	1.16	-63.30
CC1=CC(OCC(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004628755	0	34	-1.0	-55.78	288.50	-0.61	-56.39
CC1=CC(OCC(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004628755	1	34	-1.0	-55.78	288.58	-0.58	-56.36
CC1=NNC(C)=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628756	0	37	-1.0	-55.80	300.12	0.23	-55.57
CC1=NNC(C)=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628756	1	37	-1.0	-55.78	300.06	0.21	-55.57
O=C(CN1C=NN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628757	0	29	-1.0	-66.83	248.57	-0.82	-67.65
O=C(CN1C=NN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628757	1	29	-1.0	-66.77	248.50	-0.84	-67.61
CC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628758	0	30	-1.0	-45.87	252.81	-0.22	-46.09
CC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628758	1	30	-1.0	-45.89	252.88	-0.19	-46.08
CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628759	0	34	-1.0	-52.61	288.68	2.18	-50.43
CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628759	1	34	-1.0	-52.61	288.75	2.19	-50.42
CC1=NOC(C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628760	0	33	-1.0	-48.88	278.89	0.78	-48.10
CC1=NOC(C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628760	1	33	-1.0	-48.84	278.96	0.80	-48.04
CN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628761	0	31	-1.0	-52.54	256.42	-0.65	-53.19
CN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628761	1	31	-1.0	-52.54	256.35	-0.66	-53.20
NC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628762	0	33	-1.0	-64.32	273.47	-4.79	-69.11
NC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628762	1	33	-1.0	-64.33	273.53	-4.77	-69.10
O=C(CN1CSCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628763	0	33	-1.0	-54.13	284.45	-0.03	-54.16
O=C(CN1CSCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628763	1	33	-1.0	-54.12	284.52	-0.02	-54.14
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SN=N1	REAL250004628764	0	29	-1.0	-46.36	254.66	-1.12	-47.48
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SN=N1	REAL250004628764	1	29	-1.0	-46.36	254.73	-1.12	-47.48
CN1C=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628765	0	35	-1.0	-55.75	292.51	1.00	-54.75
CN1C=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628765	1	35	-1.0	-55.74	292.58	1.01	-54.73
O=C(C1=CC=NC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628766	0	30	-1.0	-53.25	264.02	0.30	-52.95
O=C(C1=CC=NC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628766	1	30	-1.0	-53.24	263.95	0.29	-52.95
COC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628767	0	34	-1.0	-50.20	280.42	-1.77	-51.97
COC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628767	1	34	-1.0	-50.23	280.35	-1.78	-52.01
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1C	REAL250004628768	0	35	-1.0	-52.71	275.90	1.60	-51.11
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1C	REAL250004628768	1	35	-1.0	-52.65	275.84	1.59	-51.06
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC=C1	REAL250004628769	0	31	-1.0	-52.19	254.41	0.59	-51.60
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC=C1	REAL250004628769	1	31	-1.0	-52.20	254.47	0.60	-51.60
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCC1=O	REAL250004628770	0	35	-1.0	-46.50	285.49	-0.74	-47.24
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCC1=O	REAL250004628770	1	35	-1.0	-46.51	285.56	-0.74	-47.25
O=C(C1CC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628771	0	35	-1.0	-51.98	271.66	1.96	-50.02
O=C(C1CC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628771	1	35	-1.0	-52.01	271.73	1.96	-50.05
O=C(CCC1=CC=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628772	0	34	-1.0	-51.71	281.90	1.58	-50.13
O=C(CCC1=CC=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628772	1	34	-1.0	-51.73	281.97	1.60	-50.13
O=C(C1=CC(Cl)=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004628773	0	29	-1.0	-54.77	256.16	0.46	-54.31
O=C(C1=CC(Cl)=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004628773	1	29	-1.0	-54.76	256.23	0.46	-54.30
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004628774	0	31	-1.0	-58.82	269.27	0.68	-58.14
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004628774	1	31	-1.0	-58.88	269.35	0.69	-58.19
CC1=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)O1	REAL250004628775	0	37	-1.0	-53.47	305.54	2.20	-51.27
CC1=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)O1	REAL250004628775	1	37	-1.0	-53.47	305.61	2.21	-51.26
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL250004628776	0	37	-1.0	-53.16	290.77	2.93	-50.23
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL250004628776	1	37	-1.0	-53.14	290.72	2.90	-50.24
O=C(C1=CN=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628777	0	29	-1.0	-53.63	245.03	-1.22	-54.85
O=C(C1=CN=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628777	1	29	-1.0	-53.68	244.96	-1.22	-54.90
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C	REAL250004628778	0	37	-1.0	-56.31	291.24	2.78	-53.53
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C	REAL250004628778	1	37	-1.0	-56.33	291.31	2.79	-53.54
O=C(CC1CC2CCC1C2)N1CCOCC1C1=N[N-]N=N1	REAL250004628779	0	41	-1.0	-54.57	304.95	3.28	-51.29
O=C(CC1CC2CCC1C2)N1CCOCC1C1=NN=N[N-]1	REAL250004628779	1	41	-1.0	-54.60	305.00	3.30	-51.30
COCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004628780	0	35	-1.0	-51.61	291.60	-0.11	-51.72
COCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004628780	1	35	-1.0	-51.60	291.66	-0.09	-51.69
CN1C=C(Cl)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628781	0	32	-1.0	-49.11	275.88	1.58	-47.53
CN1C=C(Cl)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628781	1	32	-1.0	-49.08	275.95	1.60	-47.48
O=C(CN1C=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628782	0	31	-1.0	-60.51	259.97	0.06	-60.45
O=C(CN1C=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628782	1	31	-1.0	-60.50	259.90	0.04	-60.46
O=C(C1=CC(F)=CC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628783	0	31	-1.0	-49.70	264.88	1.76	-47.94
O=C(C1=CC(F)=CC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628783	1	31	-1.0	-49.71	264.94	1.76	-47.95
CC(=O)C1=CNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628784	0	34	-1.0	-68.55	284.34	0.49	-68.06
CC(=O)C1=CNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628784	1	34	-1.0	-68.55	284.41	0.48	-68.07
O=C(CC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628785	0	37	-1.0	-53.03	283.33	2.30	-50.73
O=C(CC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628785	1	37	-1.0	-53.07	283.40	2.31	-50.76
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)O1	REAL250004628786	0	34	-1.0	-52.29	276.14	1.32	-50.97
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)O1	REAL250004628786	1	34	-1.0	-52.28	276.21	1.32	-50.96
CC1=NN(C)C(C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628787	0	37	-1.0	-53.02	304.37	0.70	-52.32
CC1=NN(C)C(C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628787	1	37	-1.0	-53.01	304.44	0.72	-52.29
CCOC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628788	0	35	-1.0	-48.48	291.10	-2.35	-50.83
CCOC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628788	1	35	-1.0	-48.51	291.17	-2.33	-50.84
CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004628789	0	34	-1.0	-51.34	279.43	1.62	-49.72
CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004628789	1	34	-1.0	-51.30	279.48	1.63	-49.67
O=C(C1=CC=C(Cl)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004628790	0	28	-1.0	-46.48	253.08	0.61	-45.87
O=C(C1=CC=C(Cl)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004628790	1	28	-1.0	-46.48	253.14	0.63	-45.85
CCOC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628791	0	38	-1.0	-59.87	313.23	-1.66	-61.53
CCOC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628791	1	38	-1.0	-59.89	313.30	-1.65	-61.54
O=C(C1CC2CCC1C2)N1CCOCC1C1=N[N-]N=N1	REAL250004628792	0	38	-1.0	-54.61	279.77	2.33	-52.28
O=C(C1CC2CCC1C2)N1CCOCC1C1=NN=N[N-]1	REAL250004628792	1	38	-1.0	-54.59	279.83	2.33	-52.26
CCCC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628793	0	37	-1.0	-49.60	298.66	0.60	-49.00
CCCC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628793	1	37	-1.0	-49.59	298.73	0.61	-48.98
O=C(CC1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628794	0	33	-1.0	-53.25	274.63	0.90	-52.35
O=C(CC1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628794	1	33	-1.0	-53.26	274.70	0.92	-52.34
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628795	0	33	-1.0	-51.54	269.81	0.32	-51.22
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628795	1	33	-1.0	-51.56	269.88	0.34	-51.22
CN1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628796	0	32	-1.0	-52.75	258.89	1.08	-51.67
CN1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628796	1	32	-1.0	-52.75	258.82	1.06	-51.69
O=C(C1=NOC(C2CC2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628797	0	34	-1.0	-48.99	284.44	1.91	-47.08
O=C(C1=NOC(C2CC2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628797	1	34	-1.0	-49.01	284.50	1.94	-47.07
CC1=NOC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004628798	0	35	-1.0	-49.68	293.12	-0.94	-50.62
CC1=NOC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004628798	1	35	-1.0	-49.69	293.19	-0.94	-50.63
CC1=C(C)SC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628799	0	34	-1.0	-53.57	285.56	2.00	-51.57
CC1=C(C)SC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628799	1	34	-1.0	-53.55	285.63	2.01	-51.54
O=C(C1=C2NN=CC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628800	0	34	-1.0	-59.41	278.46	0.34	-59.07
O=C(C1=C2NN=CC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628800	1	34	-1.0	-59.36	278.39	0.32	-59.04
O=C(C1=CC=CC2=CNN=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004628800	1	34	-1.0	-70.96	279.32	0.34	-70.62
O=C(C1=CC=CC2=CNN=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004628800	1	34	-1.0	-70.94	279.25	0.35	-70.59
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=NN1C	REAL250004628801	0	34	-1.0	-52.04	273.48	-0.18	-52.22
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=NN1C	REAL250004628801	1	34	-1.0	-52.07	273.55	-0.15	-52.22
CCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628802	0	36	-1.0	-52.44	284.23	2.00	-50.44
CCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628802	1	36	-1.0	-52.41	284.30	2.03	-50.38
CC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628803	0	36	-1.0	-50.01	273.33	1.56	-48.45
CC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628803	1	36	-1.0	-50.07	273.40	1.57	-48.50
O=C(C1CC1(Cl)Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004628804	0	28	-1.0	-48.05	262.94	1.44	-46.61
O=C(C1CC1(Cl)Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004628804	1	28	-1.0	-48.04	263.01	1.45	-46.59
CC1=NC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628805	0	33	-1.0	-51.90	281.06	0.10	-51.80
CC1=NC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628805	1	33	-1.0	-51.89	281.13	0.12	-51.77
O=C(CCN1C=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628806	0	33	-1.0	-49.64	277.36	2.07	-47.57
O=C(CCN1C=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628806	1	33	-1.0	-49.69	277.30	2.07	-47.62
O=C(CNC(=O)C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628807	0	35	-1.0	-47.44	289.22	-1.11	-48.55
O=C(CNC(=O)C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628807	1	35	-1.0	-47.43	289.30	-1.08	-48.51
COC1=NC=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628808	0	34	-1.0	-60.36	278.30	-0.76	-61.12
COC1=NC=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628808	1	34	-1.0	-60.33	278.23	-0.78	-61.11
CCCCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628809	0	37	-1.0	-54.24	307.67	2.61	-51.63
CCCCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628809	1	37	-1.0	-54.19	307.74	2.61	-51.58
CCCCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628810	0	45	-1.0	-52.65	348.73	4.35	-48.30
CCCCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628810	1	45	-1.0	-52.60	348.80	4.37	-48.23
CCCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628811	0	42	-1.0	-52.55	327.23	3.56	-48.99
CCCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628811	1	42	-1.0	-52.51	327.30	3.59	-48.92
CCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628812	0	39	-1.0	-52.57	305.73	2.78	-49.79
CCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628812	1	39	-1.0	-52.57	305.80	2.81	-49.76
O=C(CCN1C=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628813	0	34	-1.0	-49.93	282.60	0.64	-49.29
O=C(CCN1C=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628813	1	34	-1.0	-49.96	282.53	0.63	-49.33
O=C(C1=CC=CNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628814	0	31	-1.0	-63.40	256.07	-1.31	-64.71
O=C(C1=CC=CNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628814	1	31	-1.0	-63.37	256.14	-1.29	-64.66
CC(C)SCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628815	0	34	-1.0	-54.41	282.95	1.66	-52.75
CC(C)SCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628815	1	34	-1.0	-54.37	283.01	1.66	-52.71
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004628816	0	33	-1.0	-54.00	271.84	1.22	-52.78
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004628816	1	33	-1.0	-54.01	271.91	1.23	-52.78
O=C(C1=C2C=NNC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628817	0	34	-1.0	-59.03	277.72	0.21	-58.82
O=C(C1=C2C=NNC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628817	1	34	-1.0	-59.05	277.65	0.18	-58.87
O=C(C1=CC=CC=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004628818	0	32	-1.0	-57.54	261.51	-0.17	-57.71
O=C(C1=CC=CC=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004628818	1	32	-1.0	-57.51	261.45	-0.18	-57.69
O=C(C1=CC2=CNN=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628819	0	34	-1.0	-56.06	279.12	0.29	-55.77
O=C(C1=CC2=CNN=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628819	1	34	-1.0	-56.05	279.06	0.28	-55.77
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1O	REAL250004628820	0	35	-1.0	-56.15	282.31	0.48	-55.67
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1O	REAL250004628820	1	35	-1.0	-56.13	282.25	0.46	-55.67
O=C(C1=CC(C2CC2)=NN1)N1CCOCC1C1=N[N-]N=N1	REAL250004628821	0	35	-1.0	-49.93	285.25	0.61	-49.32
O=C(C1=CC(C2CC2)=NN1)N1CCOCC1C1=NN=N[N-]1	REAL250004628821	1	35	-1.0	-49.95	285.33	0.63	-49.32
CC1=CC=C(O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628822	0	35	-1.0	-56.72	283.62	0.44	-56.28
CC1=CC=C(O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628822	1	35	-1.0	-56.74	283.55	0.41	-56.33
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1O	REAL250004628823	0	35	-1.0	-57.55	283.95	-0.53	-58.08
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1O	REAL250004628823	1	35	-1.0	-57.59	284.02	-0.53	-58.12
CN1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1=O	REAL250004628824	0	38	-1.0	-52.68	296.13	0.08	-52.60
CN1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1=O	REAL250004628824	1	38	-1.0	-52.70	296.21	0.07	-52.63
CN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC1=O	REAL250004628825	0	34	-1.0	-67.69	277.18	0.42	-67.27
CN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC1=O	REAL250004628825	1	34	-1.0	-67.67	277.25	0.41	-67.26
CCN1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1=O	REAL250004628826	0	38	-1.0	-51.69	300.34	0.41	-51.28
CCN1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1=O	REAL250004628826	1	38	-1.0	-51.71	300.40	0.42	-51.29
N#CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628827	0	29	-1.0	-60.57	264.02	0.77	-59.80
N#CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628827	1	29	-1.0	-60.63	264.09	0.78	-59.85
CS(=O)(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628828	0	33	-1.0	-54.46	283.38	-2.78	-57.24
CS(=O)(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628828	1	33	-1.0	-54.45	283.44	-2.74	-57.19
CN1N=CC=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628829	0	35	-1.0	-53.42	290.90	0.89	-52.53
CN1N=CC=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628829	1	35	-1.0	-53.43	290.97	0.90	-52.53
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004628830	0	34	-1.0	-56.20	275.54	0.21	-55.99
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004628830	1	34	-1.0	-56.21	275.48	0.21	-56.00
O=C(CN1C=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628831	0	30	-1.0	-61.78	254.76	1.50	-60.28
O=C(CN1C=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628831	1	30	-1.0	-61.76	254.69	1.48	-60.28
O=C(CSC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004628832	0	28	-1.0	-49.37	262.94	0.74	-48.63
O=C(CSC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004628832	1	28	-1.0	-49.38	263.00	0.75	-48.63
CC(C)OCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628833	0	37	-1.0	-50.18	295.54	0.47	-49.71
CC(C)OCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628833	1	37	-1.0	-50.17	295.61	0.48	-49.69
O=C(CN1C=CC=NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628834	0	33	-1.0	-69.75	279.20	-0.95	-70.70
O=C(CN1C=CC=NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628834	1	33	-1.0	-69.71	279.27	-0.94	-70.65
CCC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628835	0	34	-1.0	-49.67	277.17	-0.18	-49.85
CCC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628835	1	34	-1.0	-49.73	277.24	-0.16	-49.89
O=C(C1COCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628836	0	33	-1.0	-54.84	260.39	-1.29	-56.13
O=C(C1COCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628836	1	33	-1.0	-54.89	260.46	-1.29	-56.18
CCCCCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628837	0	43	-1.0	-56.23	340.71	3.03	-53.20
CCCCCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628837	1	43	-1.0	-56.21	340.78	3.03	-53.18
COC(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628838	0	30	-1.0	-61.62	251.68	0.45	-61.17
COC(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628838	1	30	-1.0	-61.61	251.75	0.48	-61.13
O=C(CCC1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628839	0	38	-1.0	-52.04	297.68	0.82	-51.22
O=C(CCC1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628839	1	38	-1.0	-52.09	297.75	0.82	-51.27
COCCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628840	0	35	-1.0	-53.09	298.35	0.10	-52.99
COCCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628840	1	35	-1.0	-53.14	298.41	0.11	-53.03
O=C(CN1CCCCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628841	0	38	-1.0	-59.78	300.05	0.90	-58.88
O=C(CN1CCCCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628841	1	38	-1.0	-59.76	300.12	0.92	-58.84
O=C(CN1CCCNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628842	0	37	-1.0	-59.20	295.62	-1.21	-60.41
O=C(CN1CCCNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628842	1	37	-1.0	-59.21	295.68	-1.19	-60.40
CC(=O)N(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628843	0	34	-1.0	-57.67	277.59	-0.31	-57.98
CC(=O)N(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628843	1	34	-1.0	-57.63	277.66	-0.28	-57.91
CCC(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628844	0	36	-1.0	-53.22	270.85	1.39	-51.83
CCC(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628844	1	36	-1.0	-53.24	270.92	1.41	-51.83
CN1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1=O	REAL250004628845	0	35	-1.0	-52.69	281.11	-0.56	-53.25
CN1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1=O	REAL250004628845	1	35	-1.0	-52.72	281.17	-0.55	-53.27
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1C#N	REAL250004628846	0	34	-1.0	-48.92	290.46	1.46	-47.46
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1C#N	REAL250004628846	1	34	-1.0	-48.91	290.52	1.46	-47.45
CC1=NNC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628847	0	31	-1.0	-54.46	255.05	-1.38	-55.84
CC1=NNC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628847	1	31	-1.0	-54.47	255.09	-1.37	-55.84
O=C(C1=CSN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628848	0	26	-1.0	-47.41	234.24	-1.37	-48.78
O=C(C1=CSN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628848	1	26	-1.0	-47.41	234.18	-1.38	-48.79
COC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=N1	REAL250004628849	0	34	-1.0	-56.16	280.17	-1.68	-57.84
COC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=N1	REAL250004628849	1	34	-1.0	-56.20	280.09	-1.70	-57.90
CCCCC(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628850	0	42	-1.0	-52.25	318.49	3.17	-49.08
CCCCC(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628850	1	42	-1.0	-52.26	318.55	3.19	-49.07
COC(=O)N(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628851	0	35	-1.0	-57.87	290.25	-0.39	-58.26
COC(=O)N(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628851	1	35	-1.0	-57.89	290.32	-0.36	-58.25
CCC(=O)NC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628852	0	37	-1.0	-46.70	297.33	-1.26	-47.96
CCC(=O)NC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628852	1	37	-1.0	-46.75	297.39	-1.26	-48.01
O=C(C1=CC=CC=[N+]1[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004628853	0	31	-1.0	-64.41	259.77	0.49	-63.92
O=C(C1=CC=CC=[N+]1[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004628853	1	31	-1.0	-64.41	259.84	0.49	-63.92
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC=N1	REAL250004628854	0	30	-1.0	-51.81	259.11	-0.62	-52.43
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC=N1	REAL250004628854	1	30	-1.0	-51.79	259.18	-0.61	-52.40
O=C(C1=C2C=CNC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628855	0	35	-1.0	-62.13	283.18	1.63	-60.50
O=C(C1=C2C=CNC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628855	1	35	-1.0	-62.11	283.13	1.61	-60.50
CCOCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628856	0	37	-1.0	-55.92	296.76	0.48	-55.44
CCOCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628856	1	37	-1.0	-55.94	296.83	0.50	-55.44
O=C(COCC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628857	0	35	-1.0	-56.91	286.38	1.47	-55.44
O=C(COCC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628857	1	35	-1.0	-56.95	286.45	1.47	-55.48
O=C(CC1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004628858	0	35	-1.0	-57.77	276.18	0.59	-57.18
O=C(CC1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004628858	1	35	-1.0	-57.78	276.25	0.61	-57.17
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)S(C)(=O)=O	REAL250004628859	0	33	-1.0	-73.96	275.39	-2.74	-76.70
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)S(C)(=O)=O	REAL250004628859	1	33	-1.0	-73.91	275.45	-2.72	-76.63
CC1=CNC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628860	0	32	-1.0	-60.71	258.13	0.19	-60.52
CC1=CNC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628860	1	32	-1.0	-60.75	258.07	0.16	-60.59
CSC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628861	0	31	-1.0	-54.71	260.18	0.62	-54.09
CSC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628861	1	31	-1.0	-54.68	260.24	0.64	-54.04
CCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628862	0	34	-1.0	-56.65	270.37	0.30	-56.35
CCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628862	1	34	-1.0	-56.69	270.43	0.32	-56.37
O=C(C1=CC=C2C=CNC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628863	0	35	-1.0	-57.26	284.10	1.61	-55.65
O=C(C1=CC=C2C=CNC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628863	1	35	-1.0	-57.29	284.04	1.60	-55.69
NC(=O)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004628864	0	33	-1.0	-70.17	275.61	-3.81	-73.98
NC(=O)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004628864	1	33	-1.0	-70.20	275.68	-3.81	-74.01
CC(C)C1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628865	0	37	-1.0	-49.76	296.01	0.35	-49.41
CC(C)C1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628865	1	37	-1.0	-49.77	296.09	0.37	-49.40
CCOC(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628866	0	33	-1.0	-61.54	273.54	1.37	-60.17
CCOC(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628866	1	33	-1.0	-61.55	273.61	1.40	-60.15
O=C(CCC1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628867	0	36	-1.0	-51.04	296.36	1.69	-49.35
O=C(CCC1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628867	1	36	-1.0	-51.05	296.43	1.71	-49.34
CN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CC1=O	REAL250004628868	0	34	-1.0	-50.38	277.50	0.37	-50.01
CN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CC1=O	REAL250004628868	1	34	-1.0	-50.38	277.56	0.39	-49.99
N#CCC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628870	0	35	-1.0	-60.17	295.12	2.74	-57.43
N#CCC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628870	1	35	-1.0	-60.21	295.19	2.75	-57.46
O=C(C1CCC(=O)NC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628871	0	35	-1.0	-52.13	276.66	-1.94	-54.07
O=C(C1CCC(=O)NC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628871	1	35	-1.0	-52.20	276.73	-1.95	-54.15
COCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628872	0	34	-1.0	-55.75	274.91	-0.49	-56.24
COCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628872	1	34	-1.0	-55.79	274.98	-0.46	-56.25
O=C(C1=NNC2=C1CCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004628873	0	35	-1.0	-56.56	280.49	0.57	-55.99
O=C(C1=NNC2=C1CCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004628873	1	35	-1.0	-56.59	280.56	0.60	-55.99
CC(F)(F)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628874	0	33	-1.0	-48.08	273.85	1.36	-46.72
CC(F)(F)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628874	1	33	-1.0	-48.09	273.92	1.38	-46.71
O=C(COC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628875	0	38	-1.0	-57.17	299.40	1.95	-55.22
O=C(COC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628875	1	38	-1.0	-57.13	299.47	1.96	-55.17
O=C(COC1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628876	0	41	-1.0	-56.63	316.61	2.55	-54.08
O=C(COC1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628876	1	41	-1.0	-56.72	316.68	2.55	-54.17
CC1=NC=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628877	0	32	-1.0	-47.49	264.17	0.32	-47.17
CC1=NC=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628877	1	32	-1.0	-47.49	264.21	0.33	-47.16
C=CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628878	0	32	-1.0	-54.20	277.48	1.59	-52.61
C=CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628878	1	32	-1.0	-54.22	277.55	1.59	-52.63
CCOC1CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628879	0	35	-1.0	-57.72	282.39	1.49	-56.23
CCOC1CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628879	1	35	-1.0	-57.72	282.46	1.51	-56.21
CC1=NC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004628880	0	32	-1.0	-49.41	266.16	0.44	-48.97
CC1=NC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004628880	1	32	-1.0	-49.41	266.23	0.45	-48.96
CCSCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628881	0	34	-1.0	-49.45	285.94	1.80	-47.65
CCSCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628881	1	34	-1.0	-49.43	286.01	1.82	-47.61
COC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628882	0	32	-1.0	-48.51	269.24	-3.28	-51.79
COC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628882	1	32	-1.0	-48.51	269.30	-3.25	-51.76
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628883	0	31	-1.0	-45.77	269.54	1.56	-44.21
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628883	1	31	-1.0	-45.73	269.61	1.57	-44.16
O=C(C1=NSN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628884	0	26	-1.0	-47.12	233.23	-1.72	-48.84
O=C(C1=NSN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628884	1	26	-1.0	-47.11	233.16	-1.73	-48.84
O=C(C1=CN=NS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628885	0	26	-1.0	-47.61	234.71	-1.76	-49.37
O=C(C1=CN=NS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628885	1	26	-1.0	-47.62	234.64	-1.77	-49.39
CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628886	0	36	-1.0	-54.73	296.14	1.50	-53.23
CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628886	1	36	-1.0	-54.71	296.21	1.52	-53.19
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)N1	REAL250004628887	0	34	-1.0	-60.91	277.95	-0.82	-61.73
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)N1	REAL250004628887	1	34	-1.0	-60.92	278.00	-0.80	-61.72
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004628888	0	45	-1.0	-51.44	326.15	3.25	-48.19
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004628888	1	45	-1.0	-51.45	326.21	3.26	-48.19
CCCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628889	0	34	-1.0	-54.15	286.17	1.83	-52.32
CCCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628889	1	34	-1.0	-54.13	286.24	1.83	-52.30
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004628890	0	35	-1.0	-51.16	276.21	2.43	-48.73
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004628890	1	35	-1.0	-51.15	276.23	2.45	-48.70
O=C(C1=NOC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628891	0	27	-1.0	-51.16	230.32	-0.35	-51.51
O=C(C1=NOC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628891	1	27	-1.0	-51.13	230.27	-0.36	-51.49
O=C(C1=CN=C2NC=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL250004628892	0	34	-1.0	-66.22	286.36	1.19	-65.03
O=C(C1=CN=C2NC=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL250004628892	1	34	-1.0	-66.25	286.29	1.18	-65.07
O=C(C1=CN=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628893	0	27	-1.0	-52.26	240.46	-1.18	-53.44
O=C(C1=CN=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628893	1	27	-1.0	-52.24	240.39	-1.19	-53.43
O=C(C=C(C1CC1)C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628894	0	39	-1.0	-52.09	303.15	3.70	-48.39
O=C(C=C(C1CC1)C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628894	1	39	-1.0	-52.05	303.22	3.70	-48.35
CC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628895	0	31	-1.0	-49.50	256.01	-0.91	-50.41
CC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628895	1	31	-1.0	-49.53	256.08	-0.90	-50.43
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1	REAL250004628895	1	31	-1.0	-54.35	256.27	-0.60	-54.95
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1	REAL250004628895	1	31	-1.0	-54.36	256.33	-0.58	-54.94
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628896	0	38	-1.0	-50.42	308.07	4.11	-46.31
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628896	1	38	-1.0	-50.41	308.12	4.11	-46.30
CC1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004628897	0	34	-1.0	-60.59	281.86	0.76	-59.83
CC1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004628897	1	34	-1.0	-60.60	281.80	0.74	-59.86
O=C(C=C1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628898	0	35	-1.0	-53.82	274.36	2.24	-51.58
O=C(C=C1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628898	1	35	-1.0	-53.88	274.43	2.24	-51.64
CC1=NN(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628899	0	34	-1.0	-50.21	275.60	0.00	-50.21
CC1=NN(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628899	1	34	-1.0	-50.26	275.67	0.02	-50.24
CN1C=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628900	0	37	-1.0	-53.80	304.03	1.27	-52.53
CN1C=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628900	1	37	-1.0	-53.81	303.96	1.25	-52.56
CCC=C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628901	0	34	-1.0	-54.56	264.61	1.36	-53.20
CCC=C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628901	1	34	-1.0	-54.61	264.68	1.39	-53.22
CCCCSC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628902	0	40	-1.0	-54.95	322.71	2.99	-51.96
CCCCSC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628902	1	40	-1.0	-54.93	322.78	3.01	-51.92
CC1=CN(CCC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004628903	0	37	-1.0	-49.87	304.47	1.32	-48.55
CC1=CN(CCC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004628903	1	37	-1.0	-49.87	304.41	1.31	-48.56
CCOCCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628904	0	41	-1.0	-59.03	325.85	0.52	-58.51
CCOCCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628904	1	41	-1.0	-59.01	325.91	0.54	-58.47
CC(C)COC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628905	0	40	-1.0	-57.05	311.97	1.78	-55.27
CC(C)COC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628905	1	40	-1.0	-57.05	312.04	1.80	-55.25
O=C(CCC1=NC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004628906	0	33	-1.0	-52.08	285.94	0.58	-51.50
O=C(CCC1=NC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004628906	1	33	-1.0	-52.04	286.01	0.60	-51.44
CC(C)CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628907	0	40	-1.0	-54.07	325.24	3.12	-50.95
CC(C)CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628907	1	40	-1.0	-54.08	325.30	3.12	-50.96
CCCC(C)=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628908	0	37	-1.0	-50.68	290.76	2.65	-48.03
CCCC(C)=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628908	1	37	-1.0	-50.63	290.82	2.65	-47.98
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628909	0	30	-1.0	-53.45	260.25	-0.53	-53.98
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628909	1	30	-1.0	-53.44	260.33	-0.53	-53.97
CCOC(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628910	0	37	-1.0	-55.13	291.38	1.16	-53.97
CCOC(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628910	1	37	-1.0	-55.16	291.45	1.18	-53.98
O=C(C1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628911	0	32	-1.0	-50.85	250.65	-1.21	-52.06
O=C(C1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628911	1	32	-1.0	-50.85	250.72	-1.20	-52.05
CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628912	0	34	-1.0	-52.18	292.20	2.55	-49.63
CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628912	1	34	-1.0	-52.18	292.27	2.56	-49.62
O=C(C=C1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628913	0	38	-1.0	-52.22	289.33	2.71	-49.51
O=C(C=C1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628913	1	38	-1.0	-52.20	289.40	2.71	-49.49
CS(=O)(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628914	0	30	-1.0	-73.76	261.26	-3.32	-77.08
CS(=O)(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628914	1	30	-1.0	-73.74	261.34	-3.29	-77.03
CCS(=O)(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628915	0	33	-1.0	-73.78	282.73	-2.42	-76.20
CCS(=O)(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628915	1	33	-1.0	-73.75	282.80	-2.39	-76.14
O=C(CCN1CCOC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628916	0	36	-1.0	-58.70	296.02	-0.19	-58.89
O=C(CCN1CCOC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628916	1	36	-1.0	-58.71	296.08	-0.17	-58.88
O=C(C1=CC=CC2=C1CCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004628917	0	38	-1.0	-56.77	295.63	3.46	-53.31
O=C(C1=CC=CC2=C1CCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004628917	1	38	-1.0	-56.79	295.70	3.49	-53.30
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC=C1	REAL250004628918	0	34	-1.0	-51.61	283.58	2.01	-49.60
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC=C1	REAL250004628918	1	34	-1.0	-51.64	283.65	2.00	-49.64
CC(OCC1CC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628919	0	38	-1.0	-57.59	301.39	1.88	-55.71
CC(OCC1CC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628919	1	38	-1.0	-57.60	301.46	1.89	-55.71
CC(C)OCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628920	0	34	-1.0	-56.45	274.99	0.62	-55.83
CC(C)OCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628920	1	34	-1.0	-56.43	275.06	0.63	-55.80
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004628921	0	37	-1.0	-51.58	288.16	2.49	-49.09
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004628921	1	37	-1.0	-51.61	288.23	2.50	-49.11
CC1CCCCC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628922	0	43	-1.0	-53.02	310.04	3.20	-49.82
CC1CCCCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628922	1	43	-1.0	-53.03	310.11	3.22	-49.81
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=CO1	REAL250004628923	0	30	-1.0	-50.51	250.79	-1.67	-52.18
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=CO1	REAL250004628923	1	30	-1.0	-50.50	250.72	-1.69	-52.19
O=C(CC(C1CC1)C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628924	0	41	-1.0	-51.62	319.28	4.07	-47.55
O=C(CC(C1CC1)C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628924	1	41	-1.0	-51.67	319.35	4.08	-47.59
CCC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004628925	0	33	-1.0	-52.53	283.68	0.24	-52.29
CCC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004628925	1	33	-1.0	-52.56	283.74	0.25	-52.31
O=C(CCCN1C=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628926	0	37	-1.0	-59.69	303.46	3.03	-56.66
O=C(CCCN1C=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628926	1	37	-1.0	-59.67	303.53	3.04	-56.63
C=CCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628927	0	35	-1.0	-55.99	289.03	1.25	-54.74
C=CCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628927	1	35	-1.0	-55.97	289.10	1.25	-54.72
O=C(CCC1=CSC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628928	0	33	-1.0	-51.97	285.47	0.49	-51.48
O=C(CCC1=CSC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628928	1	33	-1.0	-51.97	285.54	0.51	-51.46
O=C(C1=CC=NC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628930	0	30	-1.0	-54.17	253.57	-0.18	-54.35
O=C(C1=CC=NC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628930	1	30	-1.0	-54.14	253.50	-0.19	-54.33
CN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628931	0	31	-1.0	-50.21	252.07	-0.55	-50.76
CN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628931	1	31	-1.0	-50.21	252.00	-0.56	-50.77
O=C(CCCN1C=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628932	0	37	-1.0	-61.78	304.11	1.44	-60.34
O=C(CCCN1C=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628932	1	37	-1.0	-61.81	304.05	1.43	-60.38
COCCOCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628933	0	38	-1.0	-51.60	308.89	-1.01	-52.61
COCCOCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628933	1	38	-1.0	-51.62	308.96	-1.00	-52.62
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004628934	0	34	-1.0	-56.97	276.60	1.49	-55.48
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004628934	1	34	-1.0	-57.01	276.67	1.49	-55.52
O=C(CC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004628936	0	27	-1.0	-53.75	237.56	0.09	-53.66
O=C(CC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004628936	1	27	-1.0	-53.78	237.63	0.10	-53.68
O=C(C1CNC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628937	0	32	-1.0	-51.05	256.32	-2.92	-53.97
O=C(C1CNC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628937	1	32	-1.0	-51.08	256.39	-2.89	-53.97
CCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628938	0	34	-1.0	-56.09	276.22	0.68	-55.41
CCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628938	1	34	-1.0	-56.12	276.28	0.69	-55.43
CCCCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628939	0	40	-1.0	-56.72	313.36	1.87	-54.85
CCCCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628939	1	40	-1.0	-56.76	313.43	1.89	-54.87
CC(C)CCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628940	0	40	-1.0	-56.15	315.29	1.98	-54.17
CC(C)CCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628940	1	40	-1.0	-56.18	315.35	1.98	-54.20
CC(C)CCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628941	0	43	-1.0	-56.74	330.93	2.40	-54.34
CC(C)CCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628941	1	43	-1.0	-56.72	330.99	2.41	-54.31
COCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628942	0	37	-1.0	-52.01	296.41	0.29	-51.72
COCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628942	1	37	-1.0	-52.00	296.48	0.32	-51.68
NC(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628943	0	34	-1.0	-67.01	278.92	-2.71	-69.72
NC(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628943	1	34	-1.0	-67.00	278.98	-2.69	-69.69
C=CCCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628944	0	38	-1.0	-56.78	304.68	1.66	-55.12
C=CCCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628944	1	38	-1.0	-56.83	304.74	1.67	-55.16
O=C(C=CC1=CSC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628946	0	31	-1.0	-53.42	274.87	0.44	-52.98
O=C(C=CC1=CSC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628946	1	31	-1.0	-53.41	274.94	0.45	-52.96
CN1C=C(C(=O)C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628947	0	33	-1.0	-50.84	278.04	-0.46	-51.30
CN1C=C(C(=O)C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628947	1	33	-1.0	-50.86	278.10	-0.46	-51.32
CCC(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628948	0	34	-1.0	-56.04	264.65	0.17	-55.87
CCC(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628948	1	34	-1.0	-56.07	264.72	0.18	-55.89
O=C(CCN1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628949	0	40	-1.0	-52.37	308.04	-1.87	-54.24
O=C(CCN1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628949	1	40	-1.0	-52.40	308.11	-1.84	-54.24
O=C(CCC1=CC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628950	0	36	-1.0	-52.92	295.73	1.69	-51.23
O=C(CCC1=CC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628950	1	36	-1.0	-52.90	295.80	1.70	-51.20
O=C(CCN1C=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628951	0	34	-1.0	-49.15	282.03	2.23	-46.92
O=C(CCN1C=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628951	1	34	-1.0	-49.13	282.10	2.24	-46.89
CN1C=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004628952	0	34	-1.0	-56.07	282.58	0.48	-55.59
CN1C=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004628952	1	34	-1.0	-56.03	282.51	0.46	-55.57
CCN1N=C(C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628953	0	37	-1.0	-49.62	293.62	0.87	-48.75
CCN1N=C(C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628953	1	37	-1.0	-49.66	293.69	0.87	-48.79
O=C(COC1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628954	0	34	-1.0	-56.80	283.62	0.68	-56.12
O=C(COC1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628954	1	34	-1.0	-56.86	283.55	0.66	-56.20
O=C(C1CCCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628955	0	40	-1.0	-53.01	287.92	2.27	-50.74
O=C(C1CCCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628955	1	40	-1.0	-52.99	287.99	2.27	-50.72
COC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628956	0	34	-1.0	-52.97	272.95	0.17	-52.80
COC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628956	1	34	-1.0	-52.99	273.02	0.17	-52.82
O=C(C1=CC=CC(F)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004628957	0	31	-1.0	-63.70	264.17	1.70	-62.00
O=C(C1=CC=CC(F)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004628957	1	31	-1.0	-63.67	264.24	1.73	-61.94
CC1CCCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004628958	0	43	-1.0	-52.68	320.37	3.56	-49.12
CC1CCCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004628958	1	43	-1.0	-52.71	320.45	3.57	-49.14
N#CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004628959	0	35	-1.0	-51.91	301.00	3.05	-48.86
N#CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004628959	1	35	-1.0	-51.95	301.07	3.06	-48.89
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1CCOCC1	REAL250004628960	0	40	-1.0	-52.45	301.77	-1.96	-54.41
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1CCOCC1	REAL250004628960	1	40	-1.0	-52.47	301.83	-1.96	-54.43
CCCC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628961	0	39	-1.0	-51.74	298.10	2.46	-49.28
CCCC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628961	1	39	-1.0	-51.73	298.16	2.46	-49.27
CC1=CC=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628962	0	37	-1.0	-52.49	301.12	3.32	-49.17
CC1=CC=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628962	1	37	-1.0	-52.49	301.19	3.34	-49.15
CCOCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628963	0	34	-1.0	-49.91	275.26	-0.28	-50.19
CCOCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628963	1	34	-1.0	-49.89	275.33	-0.26	-50.15
CC(C)CC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628964	0	42	-1.0	-51.15	315.34	2.97	-48.18
CC(C)CC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628964	1	42	-1.0	-51.10	315.41	2.97	-48.13
CC1=CC=C(F)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004628965	0	34	-1.0	-60.53	279.27	2.30	-58.23
CC1=CC=C(F)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004628965	1	34	-1.0	-60.54	279.34	2.33	-58.21
O=C(CCN1CCCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628966	0	38	-1.0	-58.53	305.80	0.72	-57.81
O=C(CCN1CCCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628966	1	38	-1.0	-58.51	305.87	0.75	-57.76
O=C(C1CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628967	0	35	-1.0	-50.22	269.73	-0.30	-50.52
O=C(C1CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628967	1	35	-1.0	-50.24	269.78	-0.29	-50.53
O=C(C1=CSC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628968	0	27	-1.0	-53.89	239.39	-0.51	-54.40
O=C(C1=CSC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628968	1	27	-1.0	-53.89	239.32	-0.52	-54.41
CCNC(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628969	0	40	-1.0	-67.24	322.33	-0.38	-67.62
CCNC(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628969	1	40	-1.0	-67.25	322.40	-0.36	-67.61
CCNC(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628970	0	37	-1.0	-49.06	300.84	-1.17	-50.23
CCNC(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628970	1	37	-1.0	-49.06	300.90	-1.14	-50.20
CCCNC(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628971	0	40	-1.0	-48.81	322.34	-0.40	-49.21
CCCNC(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628971	1	40	-1.0	-48.83	322.40	-0.38	-49.21
O=C(C1=COCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004628972	0	30	-1.0	-53.90	240.29	-0.76	-54.66
O=C(C1=COCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628972	1	30	-1.0	-53.92	240.36	-0.74	-54.66
CCC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628973	0	34	-1.0	-47.07	278.71	-1.88	-48.95
CCC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628973	1	34	-1.0	-47.07	278.77	-1.85	-48.92
COC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC=C1	REAL250004628974	0	32	-1.0	-59.81	275.14	-0.06	-59.87
COC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC=C1	REAL250004628974	1	32	-1.0	-59.78	275.22	-0.05	-59.83
O=C(C1=CN2C=CN=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628975	0	34	-1.0	-51.74	279.08	2.15	-49.59
O=C(C1=CN2C=CN=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628975	1	34	-1.0	-51.78	279.14	2.16	-49.62
O=C(CNCC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004628976	0	32	-1.0	-54.35	276.81	-1.75	-56.10
O=C(CNCC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004628976	1	32	-1.0	-54.35	276.87	-1.74	-56.09
CN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004628977	0	31	-1.0	-56.60	257.85	0.11	-56.49
CN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004628977	1	31	-1.0	-56.61	257.79	0.11	-56.50
COCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628978	0	35	-1.0	-59.88	288.35	-0.87	-60.75
COCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628978	1	35	-1.0	-59.92	288.41	-0.86	-60.78
CCCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628979	0	36	-1.0	-52.81	278.86	1.57	-51.24
CCCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628979	1	36	-1.0	-52.83	278.94	1.57	-51.26
CC(C)C1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004628980	0	37	-1.0	-52.70	297.01	1.19	-51.51
CC(C)C1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004628980	1	37	-1.0	-52.70	297.07	1.20	-51.50
O=C(C1=CN2C=CC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628981	0	35	-1.0	-61.45	286.04	3.17	-58.28
O=C(C1=CN2C=CC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628981	1	35	-1.0	-61.42	285.97	3.16	-58.26
CN(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(=O)C1CC1	REAL250004628982	0	38	-1.0	-59.18	308.07	1.19	-57.99
CN(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(=O)C1CC1	REAL250004628982	1	38	-1.0	-59.18	308.14	1.22	-57.96
COCC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628983	0	38	-1.0	-67.68	313.56	-1.83	-69.51
COCC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628983	1	38	-1.0	-67.65	313.63	-1.80	-69.45
NC(=O)CSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628984	0	32	-1.0	-66.30	280.27	-2.89	-69.19
NC(=O)CSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628984	1	32	-1.0	-66.31	280.35	-2.86	-69.17
CC1=NON=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628985	0	29	-1.0	-42.07	245.73	-0.46	-42.53
CC1=NON=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628985	1	29	-1.0	-42.06	245.79	-0.45	-42.51
O=C(C1=C2C=CC=CN2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628987	0	34	-1.0	-58.80	280.24	1.40	-57.40
O=C(C1=C2C=CC=CN2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628987	1	34	-1.0	-58.77	280.17	1.36	-57.41
O=C(C1=COC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628988	0	27	-1.0	-51.28	231.13	-2.41	-53.69
O=C(C1=COC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628988	1	27	-1.0	-51.26	231.06	-2.43	-53.69
C#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004628989	0	32	-1.0	-51.94	276.59	1.96	-49.98
C#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004628989	1	32	-1.0	-51.95	276.65	1.96	-49.99
O=C(CC1CCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628990	0	35	-1.0	-57.48	281.39	-1.61	-59.09
O=C(CC1CCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628990	1	35	-1.0	-57.50	281.46	-1.59	-59.09
O=C(C1CCC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004628991	0	38	-1.0	-52.71	295.26	3.28	-49.43
O=C(C1CCC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004628991	1	38	-1.0	-52.70	295.33	3.29	-49.41
O=C([C@H]1CCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004628992	0	32	-1.0	-59.23	261.26	-2.56	-61.79
O=C([C@H]1CCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004628992	1	32	-1.0	-59.22	261.33	-2.55	-61.77
COC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628994	0	35	-1.0	-60.02	291.37	-2.59	-62.61
COC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628994	1	35	-1.0	-60.04	291.44	-2.58	-62.62
O=C(C1=CC=C(F)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628995	0	30	-1.0	-47.98	254.30	-0.34	-48.32
O=C(C1=CC=C(F)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628995	1	30	-1.0	-47.95	254.23	-0.34	-48.29
O=C(C1=CC=C2NC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004628996	0	35	-1.0	-60.85	284.14	1.62	-59.23
O=C(C1=CC=C2NC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004628996	1	35	-1.0	-60.85	284.07	1.61	-59.24
COC(=O)NCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628997	0	38	-1.0	-53.58	312.87	-1.81	-55.39
COC(=O)NCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628997	1	38	-1.0	-53.56	312.94	-1.78	-55.34
CN1C=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004628999	0	34	-1.0	-63.73	277.08	0.46	-63.27
CN1C=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004628999	1	34	-1.0	-63.71	277.15	0.48	-63.23
C#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629000	0	32	-1.0	-52.03	275.56	0.79	-51.24
C#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629000	1	32	-1.0	-52.05	275.63	0.80	-51.25
O=C(CC1=CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629001	0	38	-1.0	-52.07	296.03	2.89	-49.18
O=C(CC1=CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629001	1	38	-1.0	-52.07	296.10	2.90	-49.17
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004629002	0	31	-1.0	-54.01	256.54	-0.01	-54.02
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004629002	1	31	-1.0	-53.99	256.60	-0.01	-54.00
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004629003	0	42	-1.0	-50.58	305.76	2.80	-47.78
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004629003	1	42	-1.0	-50.55	305.82	2.82	-47.73
COCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629004	0	34	-1.0	-49.87	272.08	-0.73	-50.60
COCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629004	1	34	-1.0	-49.87	272.15	-0.72	-50.59
CC(C)(C)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629005	0	42	-1.0	-52.47	318.37	2.91	-49.56
CC(C)(C)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629005	1	42	-1.0	-52.49	318.43	2.92	-49.57
C=CCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629006	0	32	-1.0	-56.59	267.62	0.46	-56.13
C=CCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629006	1	32	-1.0	-56.58	267.69	0.46	-56.12
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1F	REAL250004629007	0	34	-1.0	-52.18	279.57	2.28	-49.90
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1F	REAL250004629007	1	34	-1.0	-52.16	279.64	2.28	-49.88
O=C(COCC1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629008	0	39	-1.0	-62.08	311.40	0.36	-61.72
O=C(COCC1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629008	1	39	-1.0	-62.08	311.47	0.38	-61.70
O=C(C1=COC2=CC=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL250004629009	0	34	-1.0	-59.83	281.86	2.14	-57.69
O=C(C1=COC2=CC=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL250004629009	1	34	-1.0	-59.85	281.79	2.11	-57.74
O=C(C=CC1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629010	0	39	-1.0	-54.28	306.32	1.30	-52.98
O=C(C=CC1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629010	1	39	-1.0	-54.26	306.37	1.32	-52.94
CC1=NN(C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629011	0	34	-1.0	-57.56	274.25	-0.04	-57.60
CC1=NN(C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629011	1	34	-1.0	-57.52	274.32	-0.03	-57.55
CSC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629012	0	32	-1.0	-50.38	279.38	1.13	-49.25
CSC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629012	1	32	-1.0	-50.38	279.44	1.15	-49.23
CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629013	0	34	-1.0	-52.17	277.94	0.22	-51.95
CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629013	1	34	-1.0	-52.21	277.87	0.21	-52.00
COC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629014	0	33	-1.0	-50.36	275.19	-3.75	-54.11
COC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629014	1	33	-1.0	-50.37	275.12	-3.76	-54.13
CCCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629015	0	37	-1.0	-56.20	297.72	1.46	-54.74
CCCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629015	1	37	-1.0	-56.25	297.78	1.47	-54.78
CC(C)(C)C(=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629016	0	35	-1.0	-43.47	274.62	0.54	-42.93
CC(C)(C)C(=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629016	1	35	-1.0	-43.46	274.68	0.55	-42.91
O=C(C(O)C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629017	0	35	-1.0	-53.12	280.04	0.19	-52.93
O=C(C(O)C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629017	1	35	-1.0	-53.15	280.10	0.21	-52.94
CCCCCC(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629018	0	43	-1.0	-56.33	336.81	1.04	-55.29
CCCCCC(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629018	1	43	-1.0	-56.37	336.88	1.05	-55.32
O=C(CC1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629019	0	38	-1.0	-51.66	291.06	0.54	-51.12
O=C(CC1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629019	1	38	-1.0	-51.66	291.13	0.55	-51.11
CSCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629020	0	34	-1.0	-49.48	281.66	1.30	-48.18
CSCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629020	1	34	-1.0	-49.47	281.73	1.31	-48.16
CC1=CC(=O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004629021	0	34	-1.0	-59.92	278.21	0.04	-59.88
CC1=CC(=O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004629021	1	34	-1.0	-59.91	278.27	0.05	-59.86
CC1=CC=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629022	0	33	-1.0	-49.94	267.85	0.57	-49.37
CC1=CC=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629022	1	33	-1.0	-49.95	267.91	0.58	-49.37
CCN1CCOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629023	0	40	-1.0	-55.26	303.37	-1.28	-56.54
CCN1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629023	1	40	-1.0	-55.27	303.44	-1.28	-56.55
CC1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629024	0	40	-1.0	-53.61	301.27	2.71	-50.90
CC1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629024	1	40	-1.0	-53.62	301.35	2.72	-50.90
O=C(CCC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629025	0	34	-1.0	-52.68	272.81	2.00	-50.68
O=C(CCC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629025	1	34	-1.0	-52.67	272.88	2.03	-50.64
CN(C)C(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629026	0	40	-1.0	-68.09	318.62	0.73	-67.36
CN(C)C(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629026	1	40	-1.0	-68.11	318.69	0.76	-67.35
O=C(COC1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629027	0	39	-1.0	-58.47	307.41	0.15	-58.32
O=C(COC1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629027	1	39	-1.0	-58.42	307.47	0.18	-58.24
CCCCC(CC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629028	0	45	-1.0	-52.22	332.93	3.77	-48.45
CCCCC(CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629028	1	45	-1.0	-52.23	333.00	3.79	-48.44
CC(C)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629029	0	36	-1.0	-51.98	271.39	1.23	-50.75
CC(C)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629029	1	36	-1.0	-52.01	271.45	1.23	-50.78
O=C(C1CCSCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629030	0	35	-1.0	-52.02	279.20	1.62	-50.40
O=C(C1CCSCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629030	1	35	-1.0	-52.04	279.26	1.63	-50.41
CC(C)N1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629031	0	37	-1.0	-55.20	297.87	1.46	-53.74
CC(C)N1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629031	1	37	-1.0	-55.18	297.80	1.46	-53.72
CC1CCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629032	0	43	-1.0	-52.80	313.79	3.33	-49.47
CC1CCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629032	1	43	-1.0	-52.83	313.85	3.33	-49.50
CC(CC1CCCC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629033	0	43	-1.0	-54.05	321.81	3.65	-50.40
CC(CC1CCCC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629033	1	43	-1.0	-54.03	321.87	3.67	-50.36
O=C(CCC1CCCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629034	0	41	-1.0	-52.53	315.70	1.60	-50.93
O=C(CCC1CCCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629034	1	41	-1.0	-52.56	315.77	1.62	-50.94
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004629035	0	31	-1.0	-49.84	270.26	1.17	-48.67
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004629035	1	31	-1.0	-49.86	270.19	1.16	-48.70
CC(C)C1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629036	0	36	-1.0	-45.50	293.31	1.06	-44.44
CC(C)C1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629036	1	36	-1.0	-45.51	293.38	1.08	-44.43
O=C(CC1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629037	0	33	-1.0	-54.00	274.52	0.89	-53.11
O=C(CC1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629037	1	33	-1.0	-54.02	274.59	0.91	-53.11
CN1CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629038	1	36	-1.0	-50.09	270.94	-1.39	-51.48
CN1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629038	1	36	-1.0	-50.05	270.99	-1.38	-51.43
CC1=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629039	0	33	-1.0	-60.79	275.88	0.87	-59.92
CC1=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629039	1	33	-1.0	-60.80	275.95	0.89	-59.91
O=C(CC1(O)CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629040	0	41	-1.0	-55.67	306.24	0.87	-54.80
O=C(CC1(O)CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629040	1	41	-1.0	-55.69	306.30	0.88	-54.81
CC(OC1CCCC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629041	0	41	-1.0	-58.17	315.04	2.44	-55.73
CC(OC1CCCC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629041	1	41	-1.0	-58.20	315.10	2.45	-55.75
O=C(C1CC2CCC1O2)N1CCOCC1C1=N[N-]N=N1	REAL250004629042	0	36	-1.0	-50.00	272.93	-0.07	-50.07
O=C(C1CC2CCC1O2)N1CCOCC1C1=NN=N[N-]1	REAL250004629042	1	36	-1.0	-49.96	272.97	-0.06	-50.02
NC1=NC=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629043	0	31	-1.0	-50.60	262.40	-2.93	-53.53
NC1=NC=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629043	1	31	-1.0	-50.60	262.34	-2.93	-53.53
O=C(NC1CC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629044	0	32	-1.0	-43.58	265.89	-1.87	-45.45
O=C(NC1CC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629044	1	32	-1.0	-43.61	265.96	-1.86	-45.47
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=NN1C	REAL250004629045	0	33	-1.0	-48.70	268.89	-0.97	-49.67
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=NN1C	REAL250004629045	1	33	-1.0	-48.68	268.95	-0.95	-49.63
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CS1	REAL250004629046	0	34	-1.0	-52.09	283.53	2.30	-49.79
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CS1	REAL250004629046	1	34	-1.0	-52.10	283.59	2.31	-49.79
CC(C)(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629047	0	39	-1.0	-52.58	296.47	2.14	-50.44
CC(C)(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629047	1	39	-1.0	-52.57	296.54	2.16	-50.41
O=C(C1=CC=C(Cl)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629048	0	30	-1.0	-48.95	266.27	1.26	-47.69
O=C(C1=CC=C(Cl)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629048	1	30	-1.0	-48.95	266.20	1.25	-47.70
O=C(CC1(O)CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629049	0	38	-1.0	-49.79	289.42	-0.06	-49.85
O=C(CC1(O)CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629049	1	38	-1.0	-49.78	289.49	-0.06	-49.84
O=C(C1CC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004629050	0	35	-1.0	-52.04	284.18	3.08	-48.96
O=C(C1CC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004629050	1	35	-1.0	-52.03	284.26	3.09	-48.94
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CSC=C1	REAL250004629051	0	34	-1.0	-51.89	283.43	1.93	-49.96
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CSC=C1	REAL250004629051	1	34	-1.0	-51.92	283.49	1.93	-49.99
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=CO1	REAL250004629052	0	33	-1.0	-50.94	270.64	-0.92	-51.86
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=CO1	REAL250004629052	1	33	-1.0	-50.69	270.61	-0.88	-51.57
CCCCSCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629054	0	40	-1.0	-49.32	328.94	3.38	-45.94
CCCCSCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629054	1	40	-1.0	-49.26	329.00	3.40	-45.86
O=C(C=CC1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629055	0	41	-1.0	-53.03	315.79	3.58	-49.45
O=C(C=CC1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629055	1	41	-1.0	-52.97	315.86	3.59	-49.38
CC1CCC(=CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629056	0	41	-1.0	-52.07	310.09	3.32	-48.75
CC1CCC(=CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629056	1	41	-1.0	-52.09	310.16	3.33	-48.76
CSCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629057	0	37	-1.0	-51.52	307.47	2.46	-49.06
CSCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629057	1	37	-1.0	-51.49	307.54	2.49	-49.00
O=C(CC1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629058	0	35	-1.0	-54.65	274.34	-0.27	-54.92
O=C(CC1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629058	1	35	-1.0	-54.63	274.41	-0.26	-54.89
O=C(CC1=NNC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629059	0	31	-1.0	-59.13	258.78	-0.88	-60.01
O=C(CC1=NNC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629059	1	31	-1.0	-59.12	258.85	-0.85	-59.97
O=C(C1=CCCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629060	0	33	-1.0	-51.52	263.51	0.53	-50.99
O=C(C1=CCCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629060	1	33	-1.0	-51.53	263.58	0.53	-51.00
CC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629061	0	40	-1.0	-53.18	300.26	2.59	-50.59
CC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629061	1	40	-1.0	-53.21	300.34	2.60	-50.61
COC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629063	0	33	-1.0	-47.57	277.50	-2.52	-50.09
COC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629063	1	33	-1.0	-47.57	277.43	-2.52	-50.09
O=C(C1=CC=NC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629064	0	30	-1.0	-57.43	253.03	-0.07	-57.50
O=C(C1=CC=NC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629064	1	30	-1.0	-57.43	252.97	-0.10	-57.53
O=C(C(O)C1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629066	0	39	-1.0	-49.40	289.43	-1.88	-51.28
O=C(C(O)C1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629066	1	39	-1.0	-49.44	289.47	-1.88	-51.32
O=C(C1CCCCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629068	0	43	-1.0	-52.45	298.96	2.77	-49.68
O=C(C1CCCCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629068	1	43	-1.0	-52.47	299.02	2.79	-49.68
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004629069	0	34	-1.0	-55.91	276.48	1.64	-54.27
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004629069	1	34	-1.0	-55.92	276.54	1.64	-54.28
CC1=CC(F)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629070	0	34	-1.0	-50.71	280.55	2.30	-48.41
CC1=CC(F)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629070	1	34	-1.0	-50.69	280.62	2.32	-48.37
O=C(CC1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629071	0	34	-1.0	-53.33	267.50	1.75	-51.58
O=C(CC1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629071	1	34	-1.0	-53.32	267.57	1.77	-51.55
CC1CCC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629072	0	41	-1.0	-52.50	318.85	1.56	-50.94
CC1CCC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629072	1	41	-1.0	-52.48	318.92	1.57	-50.91
CCC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629073	0	39	-1.0	-50.29	287.16	2.06	-48.23
CCC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629073	1	39	-1.0	-50.30	287.23	2.08	-48.22
O=C(C1CCCS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629074	0	32	-1.0	-51.18	263.33	1.30	-49.88
O=C(C1CCCS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629074	1	32	-1.0	-51.16	263.40	1.31	-49.85
COCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629075	0	34	-1.0	-49.78	285.88	-0.47	-50.25
COCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629075	1	34	-1.0	-49.77	285.93	-0.45	-50.22
O=C(C1=CC=NC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004629076	0	30	-1.0	-52.69	261.38	0.35	-52.34
O=C(C1=CC=NC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004629076	1	30	-1.0	-52.65	261.32	0.32	-52.33
O=C(CCC1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629077	0	41	-1.0	-54.06	313.07	1.26	-52.80
O=C(CCC1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629077	1	41	-1.0	-54.09	313.13	1.29	-52.80
CC1=CC=C(C(C)C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629078	0	37	-1.0	-57.04	298.36	2.47	-54.57
CC1=CC=C(C(C)C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629078	1	37	-1.0	-57.07	298.42	2.48	-54.59
CN1CCOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629079	0	37	-1.0	-55.59	285.63	-1.93	-57.52
CN1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629079	1	37	-1.0	-55.57	285.70	-1.91	-57.48
CC1=NC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629080	0	33	-1.0	-50.02	271.37	-1.84	-51.86
CC1=NC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629080	1	33	-1.0	-50.03	271.44	-1.83	-51.86
CN(C)C(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629081	0	34	-1.0	-68.45	274.00	0.46	-67.99
CN(C)C(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629081	1	34	-1.0	-68.50	274.07	0.49	-68.01
O=C(CCCC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629082	0	43	-1.0	-53.00	326.94	3.83	-49.17
O=C(CCCC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629082	1	43	-1.0	-53.03	327.01	3.85	-49.18
CCCCCCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629083	0	45	-1.0	-52.77	343.36	3.91	-48.86
CCCCCCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629083	1	45	-1.0	-52.79	343.43	3.92	-48.87
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(F)(F)F	REAL250004629084	0	30	-1.0	-53.50	252.01	0.49	-53.01
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(F)(F)F	REAL250004629084	1	30	-1.0	-53.48	252.07	0.50	-52.98
CCCCCC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629085	0	45	-1.0	-51.49	341.09	4.02	-47.47
CCCCCC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629085	1	45	-1.0	-51.46	341.16	4.02	-47.44
O=C(C1=CC=CC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629086	0	31	-1.0	-47.63	258.12	-0.75	-48.38
O=C(C1=CC=CC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629086	1	31	-1.0	-47.65	258.18	-0.74	-48.39
O=C(CCC1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629087	0	37	-1.0	-52.61	289.86	2.52	-50.09
O=C(CCC1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629087	1	37	-1.0	-52.62	289.93	2.53	-50.09
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCC1	REAL250004629088	0	40	-1.0	-54.05	300.75	2.71	-51.34
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCC1	REAL250004629088	1	40	-1.0	-54.02	298.43	2.56	-51.46
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(F)=C1	REAL250004629089	0	34	-1.0	-60.99	279.27	2.31	-58.68
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(F)=C1	REAL250004629089	1	34	-1.0	-60.97	279.33	2.34	-58.63
NC(=O)C1=CNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629090	0	33	-1.0	-69.10	276.12	-3.32	-72.42
NC(=O)C1=CNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629090	1	33	-1.0	-69.10	276.19	-3.31	-72.41
CC1=CSC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629091	0	31	-1.0	-53.45	260.77	1.29	-52.16
CC1=CSC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629091	1	31	-1.0	-53.43	260.84	1.32	-52.11
O=C(C1=C2NC=CC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629092	0	35	-1.0	-53.55	283.15	1.72	-51.83
O=C(C1=C2NC=CC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629092	1	35	-1.0	-53.55	283.08	1.70	-51.85
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629093	0	29	-1.0	-48.55	266.46	1.17	-47.38
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629093	1	29	-1.0	-48.55	266.53	1.20	-47.35
CC1=CC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629094	0	34	-1.0	-51.46	275.47	1.59	-49.87
CC1=CC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629094	1	34	-1.0	-51.44	275.52	1.60	-49.84
O=C(CCN1C=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629095	0	35	-1.0	-48.14	287.28	2.52	-45.62
O=C(CCN1C=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629095	1	35	-1.0	-48.14	287.35	2.53	-45.61
C=CCOCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629096	0	38	-1.0	-56.36	309.67	1.05	-55.31
C=CCOCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629096	1	38	-1.0	-56.34	309.74	1.08	-55.26
CC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629097	0	33	-1.0	-51.96	269.33	0.36	-51.60
CC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629097	1	33	-1.0	-51.94	269.26	0.35	-51.59
O=C(CCC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629098	0	30	-1.0	-47.93	259.37	0.84	-47.09
O=C(CCC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629098	1	30	-1.0	-47.91	259.44	0.86	-47.05
O=C(C1CC12CCOCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629099	0	39	-1.0	-52.60	298.37	0.74	-51.86
O=C(C1CC12CCOCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629099	1	39	-1.0	-52.62	298.45	0.76	-51.86
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC=N1	REAL250004629100	0	30	-1.0	-50.44	248.43	-2.56	-53.00
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC=N1	REAL250004629100	1	30	-1.0	-50.46	248.49	-2.54	-53.00
CN1CCCC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629101	0	39	-1.0	-52.49	292.17	-0.34	-52.83
CN1CCCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629101	1	39	-1.0	-52.52	292.24	-0.33	-52.85
O=C(C1C2CCCC21)N1CCOCC1C1=N[N-]N=N1	REAL250004629102	0	35	-1.0	-53.49	275.17	2.31	-51.18
O=C(C1C2CCCC21)N1CCOCC1C1=NN=N[N-]1	REAL250004629102	1	35	-1.0	-53.48	275.24	2.32	-51.16
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629103	0	34	-1.0	-53.56	268.05	1.63	-51.93
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629103	1	34	-1.0	-53.56	268.12	1.64	-51.92
O=C(CC1CCCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629104	0	43	-1.0	-52.93	311.17	3.34	-49.59
O=C(CC1CCCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629104	1	43	-1.0	-52.95	311.24	3.36	-49.59
N#CC1=CNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629105	0	30	-1.0	-57.97	260.22	0.38	-57.59
N#CC1=CNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629105	1	30	-1.0	-58.00	260.29	0.39	-57.61
O=C(C#CC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629106	0	33	-1.0	-53.32	287.86	3.31	-50.01
O=C(C#CC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629106	1	33	-1.0	-53.56	287.93	3.33	-50.23
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004629107	0	37	-1.0	-59.65	299.39	0.84	-58.81
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004629107	1	37	-1.0	-59.53	299.10	0.82	-58.71
O=C(CCC1=COC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629108	0	34	-1.0	-52.14	282.29	1.41	-50.73
O=C(CCC1=COC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629108	1	34	-1.0	-52.12	282.35	1.42	-50.70
O=C(CCC1CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629109	0	41	-1.0	-51.83	313.38	1.26	-50.57
O=C(CCC1CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629109	1	41	-1.0	-51.87	313.46	1.27	-50.60
CC1=CC=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629110	0	33	-1.0	-54.53	273.94	0.67	-53.86
CC1=CC=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629110	1	33	-1.0	-54.50	273.88	0.66	-53.84
CC(C)=C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629111	0	34	-1.0	-53.74	271.27	1.45	-52.29
CC(C)=C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629111	1	34	-1.0	-53.78	271.31	1.47	-52.31
CC1(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1(C)C	REAL250004629112	0	40	-1.0	-51.55	301.83	2.59	-48.96
CC1(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1(C)C	REAL250004629112	1	40	-1.0	-51.52	301.90	2.60	-48.92
O=C(CCC1=NN=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629113	0	33	-1.0	-53.49	275.15	0.88	-52.61
O=C(CCC1=NN=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629113	1	33	-1.0	-53.51	275.22	0.89	-52.62
CNS(=O)(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629114	0	32	-1.0	-67.49	276.16	-4.86	-72.35
CNS(=O)(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629114	1	32	-1.0	-67.49	276.24	-4.84	-72.33
CSC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629115	0	29	-1.0	-50.87	254.51	0.55	-50.32
CSC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629115	1	29	-1.0	-50.84	254.57	0.57	-50.27
O=C(CCC1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629116	0	38	-1.0	-53.20	297.23	0.56	-52.64
O=C(CCC1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629116	1	38	-1.0	-53.25	297.30	0.57	-52.68
N#CC1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629117	0	29	-1.0	-55.04	265.82	0.96	-54.08
N#CC1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629117	1	29	-1.0	-55.04	265.90	0.97	-54.07
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)C(F)F	REAL250004629118	0	27	-1.0	-42.48	240.50	0.23	-42.25
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)C(F)F	REAL250004629118	1	27	-1.0	-42.49	240.55	0.25	-42.24
O=C(CN1C=CN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629119	0	30	-1.0	-65.70	253.85	-1.22	-66.92
O=C(CN1C=CN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629119	1	30	-1.0	-65.64	253.79	-1.24	-66.88
O=C(C1=NC=NC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004629120	0	29	-1.0	-48.69	257.06	1.05	-47.64
O=C(C1=NC=NC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004629120	1	29	-1.0	-48.66	257.00	1.06	-47.60
O=CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629121	0	31	-1.0	-54.19	263.75	-0.46	-54.65
O=CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629121	1	31	-1.0	-54.15	263.82	-0.45	-54.60
COC1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629122	0	32	-1.0	-54.42	275.28	-0.07	-54.49
COC1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629122	1	32	-1.0	-54.37	275.35	-0.07	-54.44
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1	REAL250004629123	0	32	-1.0	-55.87	257.17	0.13	-55.74
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1	REAL250004629123	1	32	-1.0	-55.91	257.10	0.12	-55.79
C=CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629124	0	34	-1.0	-52.74	275.55	1.78	-50.96
C=CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629124	1	34	-1.0	-52.75	275.62	1.81	-50.94
CC(C)CCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629125	0	45	-1.0	-52.52	344.80	4.07	-48.45
CC(C)CCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629125	1	45	-1.0	-52.55	344.87	4.10	-48.45
CC1=CC=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629126	0	37	-1.0	-52.12	304.21	2.40	-49.72
CC1=CC=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629126	1	37	-1.0	-52.12	304.28	2.41	-49.71
COC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629127	0	34	-1.0	-51.36	280.48	-0.50	-51.86
COC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629127	1	34	-1.0	-51.33	280.41	-0.51	-51.84
O=C(COC1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629128	0	36	-1.0	-56.71	289.74	-0.66	-57.37
O=C(COC1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629128	1	36	-1.0	-56.74	289.81	-0.64	-57.38
O=C(C1CC12CCCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629129	0	38	-1.0	-54.43	294.85	2.76	-51.67
O=C(C1CC12CCCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629129	1	38	-1.0	-54.42	294.92	2.79	-51.63
O=CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004629130	0	30	-1.0	-64.80	266.40	0.41	-64.39
O=CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004629130	1	30	-1.0	-64.80	266.47	0.43	-64.37
O=C(C1CC(F)(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629131	0	31	-1.0	-49.90	259.34	1.06	-48.84
O=C(C1CC(F)(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629131	1	31	-1.0	-49.89	259.41	1.07	-48.82
O=C(C1=CC(=O)NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629132	0	31	-1.0	-67.08	256.96	-1.47	-68.55
O=C(C1=CC(=O)NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629132	1	31	-1.0	-67.09	257.03	-1.45	-68.54
CC1=NNC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629133	0	34	-1.0	-55.71	281.56	-0.43	-56.14
CC1=NNC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629133	1	34	-1.0	-55.69	281.63	-0.40	-56.09
CN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629134	0	32	-1.0	-57.19	261.21	1.29	-55.90
CN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629134	1	32	-1.0	-57.18	261.14	1.29	-55.89
COCC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629135	0	37	-1.0	-54.43	291.31	0.15	-54.28
COCC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629135	1	37	-1.0	-54.44	291.37	0.15	-54.29
O=C(CC1CCCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629136	0	38	-1.0	-56.02	294.19	1.46	-54.56
O=C(CC1CCCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629136	1	38	-1.0	-56.02	294.26	1.48	-54.54
CC(C)N1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629137	0	37	-1.0	-50.46	293.56	1.03	-49.43
CC(C)N1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629137	1	37	-1.0	-50.43	293.49	1.03	-49.40
O=C(CC1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629138	0	33	-1.0	-54.00	274.52	0.89	-53.11
O=C(CC1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629138	1	33	-1.0	-54.02	274.59	0.91	-53.11
O=C(CC1=CC=C(O)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629139	0	35	-1.0	-54.47	291.17	-0.20	-54.67
O=C(CC1=CC=C(O)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629139	1	35	-1.0	-54.49	291.24	-0.19	-54.68
CC1CCN(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629140	1	42	-1.0	-53.20	316.82	0.66	-52.54
CC1CCN(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629140	1	42	-1.0	-53.17	316.89	0.67	-52.50
O=C(C1CCNC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629141	0	35	-1.0	-52.82	278.09	-1.84	-54.66
O=C(C1CCNC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629141	1	35	-1.0	-52.81	278.15	-1.82	-54.63
CC1(C)CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629142	0	43	-1.0	-52.82	311.54	3.04	-49.78
CC1(C)CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629142	1	43	-1.0	-52.78	311.60	3.07	-49.71
COC(=O)C(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629143	0	36	-1.0	-47.82	292.08	1.05	-46.77
COC(=O)C(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629143	1	36	-1.0	-47.79	292.14	1.06	-46.73
O=C(C(F)=C1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629144	0	35	-1.0	-47.58	277.80	2.23	-45.35
O=C(C(F)=C1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629144	1	35	-1.0	-47.60	277.87	2.24	-45.36
CCC1=CC=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629145	0	37	-1.0	-52.78	293.08	3.04	-49.74
CCC1=CC=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629145	1	37	-1.0	-52.76	292.84	3.01	-49.75
CCC1(C)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629146	0	37	-1.0	-52.32	282.98	2.28	-50.04
CCC1(C)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629146	1	37	-1.0	-52.31	283.05	2.29	-50.02
O=C(C1=CC=CC2=NC=CN21)N1CCOCC1C1=N[N-]N=N1	REAL250004629147	0	34	-1.0	-52.53	285.87	2.15	-50.38
O=C(C1=CC=CC2=NC=CN21)N1CCOCC1C1=NN=N[N-]1	REAL250004629147	1	34	-1.0	-52.52	285.94	2.18	-50.34
O=C(C1CC12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629148	0	35	-1.0	-53.51	277.30	2.33	-51.18
O=C(C1CC12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629148	1	35	-1.0	-53.49	277.36	2.35	-51.14
O=C(C1=CN=CC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629149	0	30	-1.0	-50.53	254.31	-0.21	-50.74
O=C(C1=CN=CC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629149	1	30	-1.0	-50.51	254.23	-0.22	-50.73
CCC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)CC	REAL250004629150	0	37	-1.0	-50.29	288.75	2.56	-47.73
CCC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)CC	REAL250004629150	1	37	-1.0	-50.27	288.81	2.56	-47.71
CC1=CC(=O)NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629151	0	34	-1.0	-51.53	283.63	-0.60	-52.13
CC1=CC(=O)NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629151	1	34	-1.0	-51.54	283.70	-0.59	-52.13
N#CC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629152	0	31	-1.0	-64.75	276.09	0.93	-63.82
N#CC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629152	1	31	-1.0	-64.71	276.02	0.91	-63.80
O=C(C1=CNC(C2CC2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629153	0	35	-1.0	-52.81	286.37	1.57	-51.24
O=C(C1=CNC(C2CC2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629153	1	35	-1.0	-52.80	286.43	1.59	-51.21
CC1CCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629154	0	40	-1.0	-52.97	303.45	2.92	-50.05
CC1CCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629154	1	40	-1.0	-53.00	303.51	2.95	-50.05
CCC(CC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629155	0	39	-1.0	-52.24	294.31	2.32	-49.92
CCC(CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629155	1	39	-1.0	-52.26	294.38	2.33	-49.93
CC=C(C=CC(=O)N1CCOCC1C1=N[N-]N=N1)CC	REAL250004629156	0	38	-1.0	-53.21	302.23	3.03	-50.18
CC=C(C=CC(=O)N1CCOCC1C1=NN=N[N-]1)CC	REAL250004629156	1	38	-1.0	-53.23	302.29	3.03	-50.20
CC1CCC(=CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629157	0	38	-1.0	-53.46	294.86	2.95	-50.51
CC1CCC(=CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629157	1	38	-1.0	-53.41	294.93	2.97	-50.44
O=C(C1CCSC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629158	0	32	-1.0	-52.38	259.75	1.12	-51.26
O=C(C1CCSC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629158	1	32	-1.0	-52.41	259.82	1.13	-51.28
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629159	0	34	-1.0	-52.57	265.66	1.47	-51.10
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629159	1	34	-1.0	-52.57	265.72	1.48	-51.09
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)=C1CCCC1	REAL250004629160	0	38	-1.0	-55.72	286.75	2.66	-53.06
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)=C1CCCC1	REAL250004629160	1	38	-1.0	-55.69	286.82	2.68	-53.01
O=C(CC1CCSCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629161	0	38	-1.0	-51.69	299.86	2.60	-49.09
O=C(CC1CCSCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629161	1	38	-1.0	-51.75	299.93	2.61	-49.14
CCOC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004629162	0	43	-1.0	-53.39	328.89	2.30	-51.09
CCOC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004629162	1	43	-1.0	-53.38	328.97	2.31	-51.07
CN1C=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629163	0	31	-1.0	-55.86	257.62	1.78	-54.08
CN1C=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629163	1	31	-1.0	-55.85	257.56	1.76	-54.09
COC(=O)CC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629164	0	36	-1.0	-48.31	290.46	0.81	-47.50
COC(=O)CC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629164	1	36	-1.0	-48.36	290.53	0.81	-47.55
CC1=C(C)OC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629165	0	34	-1.0	-52.72	278.78	1.37	-51.35
CC1=C(C)OC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629165	1	34	-1.0	-52.73	278.85	1.40	-51.33
C=CCC(CC=C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629166	0	38	-1.0	-51.58	302.88	2.85	-48.73
C=CCC(CC=C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629166	1	38	-1.0	-51.60	302.93	2.85	-48.75
CC1=CC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629167	0	35	-1.0	-54.83	280.35	1.23	-53.60
CC1=CC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629167	1	35	-1.0	-54.77	280.29	1.20	-53.57
CCC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629168	0	38	-1.0	-58.93	293.99	1.48	-57.45
CCC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629168	1	38	-1.0	-58.92	294.04	1.49	-57.43
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1F	REAL250004629169	0	34	-1.0	-62.23	278.17	2.29	-59.94
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1F	REAL250004629169	1	34	-1.0	-62.21	278.25	2.32	-59.89
CSCCC(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629170	0	35	-1.0	-51.14	291.62	-0.82	-51.96
CSCCC(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629170	1	35	-1.0	-51.16	291.69	-0.81	-51.97
O=C([C@@H](O)C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629171	0	35	-1.0	-52.97	281.78	0.19	-52.78
O=C([C@@H](O)C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629171	1	35	-1.0	-52.94	281.85	0.20	-52.74
O=C([C@H](O)C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629172	0	35	-1.0	-52.84	282.37	0.27	-52.57
O=C([C@H](O)C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629172	1	35	-1.0	-52.82	282.42	0.29	-52.53
CC(C)(C)C(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629173	0	37	-1.0	-49.39	270.24	-0.73	-50.12
CC(C)(C)C(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629173	1	37	-1.0	-49.41	270.29	-0.71	-50.12
CC1(C)C[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629175	0	34	-1.0	-52.07	266.55	1.65	-50.42
CC1(C)C[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629175	1	34	-1.0	-52.09	266.62	1.67	-50.42
O=C(C1=NNC=C1[N+](=O)[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004629176	0	30	-1.0	-66.23	258.91	0.07	-66.16
O=C(C1=NNC=C1[N+](=O)[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004629176	1	30	-1.0	-66.23	258.98	0.09	-66.14
CNC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629177	0	33	-1.0	-48.52	273.26	-4.04	-52.56
CNC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629177	1	33	-1.0	-48.48	273.33	-4.02	-52.50
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004629178	0	33	-1.0	-53.83	270.91	1.40	-52.43
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004629178	1	33	-1.0	-53.83	270.85	1.40	-52.43
CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629179	0	34	-1.0	-55.84	282.37	1.64	-54.20
CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629179	1	34	-1.0	-55.83	282.44	1.65	-54.18
CCCC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004629180	0	42	-1.0	-51.90	303.03	2.77	-49.13
CCCC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004629180	1	42	-1.0	-51.93	303.08	2.79	-49.14
CC(C)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629181	0	36	-1.0	-48.77	295.08	1.75	-47.02
CC(C)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629181	1	36	-1.0	-48.76	295.15	1.77	-46.99
CCC(C)C(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629182	0	37	-1.0	-51.26	280.81	-0.72	-51.98
CCC(C)C(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629182	1	37	-1.0	-51.29	280.88	-0.71	-52.00
O=C(C1CC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629183	0	30	-1.0	-50.98	247.91	0.00	-50.98
O=C(C1CC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629183	1	30	-1.0	-50.95	247.98	0.00	-50.95
CN1CCOCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629184	0	37	-1.0	-50.81	283.45	-2.60	-53.41
CN1CCOCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629184	1	37	-1.0	-50.78	283.51	-2.58	-53.36
O=C(C1=CN=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629185	0	27	-1.0	-51.42	231.26	-3.19	-54.61
O=C(C1=CN=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629185	1	27	-1.0	-51.43	231.19	-3.19	-54.62
CC(C)N1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629186	0	38	-1.0	-53.50	298.56	2.49	-51.01
CC(C)N1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629186	1	38	-1.0	-53.52	298.61	2.50	-51.02
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCC1=O	REAL250004629187	0	39	-1.0	-56.43	303.16	1.85	-54.58
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCC1=O	REAL250004629187	1	39	-1.0	-56.41	303.23	1.85	-54.56
O=C(C1=CN=C2C=CC=CN12)N1CCOCC1C1=NN=N[N-]1	REAL250004629188	0	34	-1.0	-56.11	277.85	1.85	-54.26
O=C(C1=CN=C2C=CC=CN12)N1CCOCC1C1=N[N-]N=N1	REAL250004629188	1	34	-1.0	-56.13	277.78	1.85	-54.28
CC1CC(=O)CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629189	0	39	-1.0	-54.42	291.54	1.47	-52.95
CC1CC(=O)CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629189	1	39	-1.0	-54.41	291.60	1.49	-52.92
CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCCCC1	REAL250004629190	0	43	-1.0	-51.08	307.56	3.22	-47.86
CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCCCC1	REAL250004629190	1	43	-1.0	-51.08	307.63	3.23	-47.85
CC1=NN=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629191	0	32	-1.0	-50.41	262.96	-0.44	-50.85
CC1=NN=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629191	1	32	-1.0	-50.44	263.02	-0.43	-50.87
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCCO1	REAL250004629192	0	36	-1.0	-53.11	277.43	0.82	-52.29
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCCO1	REAL250004629192	1	36	-1.0	-53.16	277.50	0.82	-52.34
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCOCC1	REAL250004629193	0	41	-1.0	-52.15	307.40	0.95	-51.20
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCOCC1	REAL250004629193	1	41	-1.0	-52.14	307.47	0.96	-51.18
O=C(CN1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629194	1	36	-1.0	-52.36	276.06	-1.16	-53.52
O=C(CN1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629194	1	36	-1.0	-52.33	276.13	-1.15	-53.48
O=C(CN1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629195	0	37	-1.0	-51.96	286.29	-2.39	-54.35
O=C(CN1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629195	1	37	-1.0	-51.97	286.36	-2.37	-54.34
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(O)=C1	REAL250004629196	0	35	-1.0	-57.44	283.57	0.41	-57.03
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(O)=C1	REAL250004629196	1	35	-1.0	-57.41	283.51	0.40	-57.01
O=C(C1=CC=C(O)C=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629197	0	33	-1.0	-56.57	273.08	-3.09	-59.66
O=C(C1=CC=C(O)C=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629197	1	33	-1.0	-56.55	273.15	-3.10	-59.65
O=C(C1=CC(F)=CC=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629198	0	32	-1.0	-51.04	268.58	-0.19	-51.23
O=C(C1=CC(F)=CC=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629198	1	32	-1.0	-51.01	268.65	-0.17	-51.18
CSC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629199	0	34	-1.0	-52.68	280.70	1.48	-51.20
CSC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629199	1	34	-1.0	-52.68	280.77	1.49	-51.19
CN1C(=O)C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629200	0	34	-1.0	-55.92	272.86	0.21	-55.71
CN1C(=O)C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629200	1	34	-1.0	-55.93	272.93	0.24	-55.69
NC(=O)NC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629201	0	34	-1.0	-67.89	280.39	-4.10	-71.99
NC(=O)NC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629201	1	34	-1.0	-67.81	280.46	-4.08	-71.89
CN1C=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004629202	0	34	-1.0	-64.09	288.30	1.07	-63.02
CN1C=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004629202	1	34	-1.0	-64.09	288.37	1.09	-63.00
CCCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629203	0	36	-1.0	-48.28	296.34	0.24	-48.04
CCCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629203	1	36	-1.0	-48.29	296.27	0.23	-48.06
CC1=CC(F)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629204	0	34	-1.0	-49.14	279.56	2.45	-46.69
CC1=CC(F)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629204	1	34	-1.0	-49.14	279.62	2.46	-46.68
CCC(SC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629205	0	34	-1.0	-51.06	279.24	1.34	-49.72
CCC(SC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629205	1	34	-1.0	-51.07	279.31	1.34	-49.73
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CC=C1	REAL250004629206	0	35	-1.0	-54.59	281.96	2.23	-52.36
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CC=C1	REAL250004629206	1	35	-1.0	-54.59	282.03	2.25	-52.34
CCN(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629207	1	39	-1.0	-51.61	297.96	0.27	-51.34
CCN(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629207	1	39	-1.0	-51.60	298.02	0.28	-51.32
O=C(C1=NNC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629208	0	27	-1.0	-59.65	229.81	-0.61	-60.26
O=C(C1=NNC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629208	1	27	-1.0	-59.68	229.88	-0.60	-60.28
O=C(C1=CC2=NC=CN2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629209	0	34	-1.0	-63.22	279.46	2.14	-61.08
O=C(C1=CC2=NC=CN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629209	1	34	-1.0	-63.20	279.50	2.16	-61.04
CC(=O)C(C)(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629210	0	41	-1.0	-64.97	315.45	1.87	-63.10
CC(=O)C(C)(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629210	1	41	-1.0	-64.96	315.52	1.90	-63.06
C=CC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629211	0	35	-1.0	-64.29	292.69	-1.47	-65.76
C=CC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629211	1	35	-1.0	-64.33	292.76	-1.44	-65.77
CC1(OCC(=O)N2CCOCC2C2=N[N-]N=N2)CCC1	REAL250004629212	0	38	-1.0	-57.18	296.91	1.70	-55.48
CC1(OCC(=O)N2CCOCC2C2=NN=N[N-]2)CCC1	REAL250004629212	1	38	-1.0	-57.22	296.98	1.72	-55.50
O=C(C1CCCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629213	0	35	-1.0	-57.21	269.18	0.65	-56.56
O=C(C1CCCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629213	1	35	-1.0	-57.25	269.25	0.65	-56.60
NC(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629214	0	32	-1.0	-50.62	274.98	-3.21	-53.83
NC(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629214	1	32	-1.0	-50.60	275.05	-3.19	-53.79
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCC1	REAL250004629215	0	35	-1.0	-53.59	267.50	1.93	-51.66
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCC1	REAL250004629215	1	35	-1.0	-53.59	267.57	1.94	-51.65
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CC(=O)N1	REAL250004629216	0	34	-1.0	-51.67	283.24	-0.69	-52.36
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CC(=O)N1	REAL250004629216	1	34	-1.0	-51.66	283.30	-0.68	-52.34
CC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004629217	0	32	-1.0	-47.68	267.90	-2.72	-50.40
CC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004629217	1	32	-1.0	-47.69	267.96	-2.71	-50.40
CCC(C)OCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629218	0	37	-1.0	-56.58	295.76	1.43	-55.15
CCC(C)OCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629218	1	37	-1.0	-56.54	295.82	1.43	-55.11
CC(C)C(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629219	0	37	-1.0	-56.64	288.99	-0.78	-57.42
CC(C)C(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629219	1	37	-1.0	-56.63	289.05	-0.77	-57.40
O=C(CC1COC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629221	0	34	-1.0	-54.65	277.04	0.89	-53.76
O=C(CC1COC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629221	1	34	-1.0	-54.62	277.10	0.89	-53.73
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NC=N1	REAL250004629222	0	32	-1.0	-49.11	265.93	1.29	-47.82
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NC=N1	REAL250004629222	1	32	-1.0	-49.11	265.99	1.30	-47.81
O=C(CC1=CC=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629223	0	31	-1.0	-54.92	260.46	0.80	-54.12
O=C(CC1=CC=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629223	1	31	-1.0	-54.90	260.53	0.82	-54.08
O=C(C1=CC2=C(C=CO2)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629224	0	32	-1.0	-55.31	266.25	0.15	-55.16
O=C(C1=CC2=C(C=CO2)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629224	1	32	-1.0	-55.31	266.19	0.15	-55.16
CCCC(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629225	0	37	-1.0	-56.26	293.81	-0.52	-56.78
CCCC(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629225	1	37	-1.0	-56.24	293.88	-0.51	-56.75
O=C(C1=CC2=CN=CN2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629226	0	34	-1.0	-58.72	279.72	3.02	-55.70
O=C(C1=CC2=CN=CN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629226	1	34	-1.0	-58.74	279.77	3.03	-55.71
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)S1	REAL250004629227	0	33	-1.0	-52.33	279.48	1.02	-51.31
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)S1	REAL250004629227	1	33	-1.0	-52.31	279.55	1.02	-51.29
CC1(C)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629228	0	34	-1.0	-52.13	265.90	1.63	-50.50
CC1(C)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629228	1	34	-1.0	-52.14	265.97	1.65	-50.49
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC=N1	REAL250004629229	0	33	-1.0	-51.22	279.61	0.07	-51.15
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC=N1	REAL250004629229	1	33	-1.0	-51.18	279.68	0.08	-51.10
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629230	0	30	-1.0	-48.91	260.41	0.22	-48.69
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629230	1	30	-1.0	-48.96	260.48	0.22	-48.74
O=C(C1=C2NC=NC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629231	0	34	-1.0	-53.51	277.73	1.28	-52.23
O=C(C1=C2NC=NC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629231	1	34	-1.0	-53.53	277.67	1.28	-52.25
CCOC=C(C#N)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629232	0	33	-1.0	-47.46	284.15	0.19	-47.27
CCOC=C(C#N)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629232	1	33	-1.0	-47.44	284.21	0.21	-47.23
O=C(CCCN1C=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629233	0	38	-1.0	-56.78	308.84	3.34	-53.44
O=C(CCCN1C=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629233	1	38	-1.0	-56.78	308.91	3.34	-53.44
O=C(COCC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629234	0	31	-1.0	-59.62	274.29	0.33	-59.29
O=C(COCC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629234	1	31	-1.0	-59.65	274.36	0.34	-59.31
CCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629235	0	33	-1.0	-49.65	274.53	-0.96	-50.61
CCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629235	1	33	-1.0	-49.62	274.60	-0.95	-50.57
COC(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629237	0	36	-1.0	-62.60	296.69	1.25	-61.35
COC(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629237	1	36	-1.0	-62.61	296.76	1.28	-61.33
O=C(C1=CC=C(F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629238	0	30	-1.0	-49.09	255.93	0.84	-48.25
O=C(C1=CC=C(F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629238	1	30	-1.0	-49.10	255.86	0.84	-48.26
CCC(C)=C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629239	0	37	-1.0	-53.61	291.17	2.14	-51.47
CCC(C)=C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629239	1	37	-1.0	-53.62	291.22	2.15	-51.47
O=C(CCCCO)N1CCOCC1C1=N[N-]N=N1	REAL250004629240	0	34	-1.0	-52.25	274.16	-2.12	-54.37
O=C(CCCCO)N1CCOCC1C1=NN=N[N-]1	REAL250004629240	1	34	-1.0	-52.28	274.23	-2.08	-54.36
CC1=NSC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629241	0	30	-1.0	-50.25	254.66	-0.05	-50.30
CC1=NSC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629241	1	30	-1.0	-50.27	254.73	-0.04	-50.31
O=C(C1CCCCS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629242	0	35	-1.0	-52.70	280.94	2.10	-50.60
O=C(C1CCCCS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629242	1	35	-1.0	-52.73	281.00	2.12	-50.61
O=C(CC(=O)N1CCOCC1C1=N[N-]N=N1)NC1CC1	REAL250004629243	0	35	-1.0	-67.08	287.82	0.23	-66.85
O=C(CC(=O)N1CCOCC1C1=NN=N[N-]1)NC1CC1	REAL250004629243	1	35	-1.0	-67.10	287.89	0.24	-66.86
C#CCNC(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629244	0	33	-1.0	-66.07	283.08	-0.14	-66.21
C#CCNC(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629244	1	33	-1.0	-66.11	283.15	-0.10	-66.21
CC1CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629245	0	37	-1.0	-53.88	276.25	2.46	-51.42
CC1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629245	1	37	-1.0	-53.91	276.33	2.48	-51.43
CC1OCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629246	0	35	-1.0	-54.67	266.62	-0.38	-55.05
CC1OCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629246	1	35	-1.0	-54.65	266.68	-0.37	-55.02
CCC(C)CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629247	0	45	-1.0	-52.53	341.53	3.95	-48.58
CCC(C)CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629247	1	45	-1.0	-52.51	341.60	3.97	-48.54
COCCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629248	0	38	-1.0	-59.05	309.89	-0.25	-59.30
COCCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629248	1	38	-1.0	-59.06	309.96	-0.24	-59.30
CCCCCC(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629249	0	45	-1.0	-52.24	339.99	3.95	-48.29
CCCCCC(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629249	1	45	-1.0	-52.29	340.05	3.97	-48.32
O=C(C1=NN(C(F)F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629250	0	31	-1.0	-53.73	270.24	0.21	-53.52
O=C(C1=NN(C(F)F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629250	1	31	-1.0	-53.80	270.17	0.18	-53.62
O=C(C1CCC=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629251	0	33	-1.0	-56.22	261.33	0.98	-55.24
O=C(C1CCC=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629251	1	33	-1.0	-56.23	261.40	0.99	-55.24
CC(C)(C)OCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629252	0	37	-1.0	-56.46	289.02	1.02	-55.44
CC(C)(C)OCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629252	1	37	-1.0	-56.47	289.09	1.03	-55.44
N#CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004629253	0	30	-1.0	-59.34	259.64	-0.25	-59.59
N#CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004629253	1	30	-1.0	-59.33	259.71	-0.24	-59.57
COCCCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629254	0	40	-1.0	-52.05	312.54	0.64	-51.41
COCCCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629254	1	40	-1.0	-52.07	312.61	0.64	-51.43
CCC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629255	0	36	-1.0	-55.02	292.13	2.17	-52.85
CCC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629255	1	36	-1.0	-55.02	292.20	2.17	-52.85
O=C(C=C1CCSCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629256	0	36	-1.0	-51.31	289.97	2.47	-48.84
O=C(C=C1CCSCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629256	1	36	-1.0	-51.31	290.04	2.48	-48.83
CCCC(CCC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629257	0	45	-1.0	-52.46	337.27	3.86	-48.60
CCCC(CCC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629257	1	45	-1.0	-52.45	337.34	3.86	-48.59
O=C(CCCC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629258	0	33	-1.0	-55.70	280.87	1.61	-54.09
O=C(CCCC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629258	1	33	-1.0	-55.68	280.94	1.63	-54.05
CCCC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)CCC	REAL250004629259	0	43	-1.0	-50.28	331.75	4.10	-46.18
CCCC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)CCC	REAL250004629259	1	43	-1.0	-50.28	331.81	4.11	-46.17
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1O	REAL250004629260	0	35	-1.0	-55.86	283.94	-0.51	-56.37
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1O	REAL250004629260	1	35	-1.0	-55.82	284.01	-0.50	-56.32
O=C(C1=CC=C2C=CNC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629261	0	34	-1.0	-55.71	281.43	1.69	-54.02
O=C(C1=CC=C2C=CNC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629261	1	34	-1.0	-55.70	281.36	1.69	-54.01
CC1=CC(O)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629262	0	35	-1.0	-53.78	285.17	-0.62	-54.40
CC1=CC(O)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629262	1	35	-1.0	-53.80	285.23	-0.60	-54.40
CSC(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629263	0	37	-1.0	-51.88	302.21	2.22	-49.66
CSC(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629263	1	37	-1.0	-51.90	302.28	2.24	-49.66
C#CCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629264	0	35	-1.0	-52.42	290.01	2.52	-49.90
C#CCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629264	1	35	-1.0	-52.45	290.08	2.55	-49.90
O=C(C1=CC=C2C=CC=NN21)N1CCOCC1C1=NN=N[N-]1	REAL250004629265	0	34	-1.0	-61.15	278.53	2.00	-59.15
O=C(C1=CC=C2C=CC=NN21)N1CCOCC1C1=N[N-]N=N1	REAL250004629265	1	34	-1.0	-61.14	278.45	1.98	-59.16
O=C(C1=CC=C(O)C=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629266	0	32	-1.0	-60.85	268.84	-1.19	-62.04
O=C(C1=CC=C(O)C=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629266	1	32	-1.0	-60.84	268.91	-1.17	-62.01
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=N1	REAL250004629267	0	35	-1.0	-47.87	284.98	0.25	-47.62
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=N1	REAL250004629267	1	35	-1.0	-47.87	285.04	0.27	-47.60
CCC1=NN(C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629268	0	37	-1.0	-56.88	296.85	0.68	-56.20
CCC1=NN(C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629268	1	37	-1.0	-56.93	296.91	0.71	-56.22
O=C(C1=CC2=C(CCC2)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629269	0	36	-1.0	-56.35	284.77	1.78	-54.57
O=C(C1=CC2=C(CCC2)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629269	1	36	-1.0	-56.36	284.86	1.78	-54.58
COCC(=O)N(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629270	0	38	-1.0	-61.06	310.62	-0.13	-61.19
COCC(=O)N(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629270	1	38	-1.0	-61.03	310.69	-0.11	-61.14
O=C(C1SCCS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629271	0	30	-1.0	-51.99	261.27	0.97	-51.02
O=C(C1SCCS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629271	1	30	-1.0	-52.05	261.33	0.98	-51.07
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)N=N1	REAL250004629272	0	35	-1.0	-50.17	285.99	0.14	-50.03
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)N=N1	REAL250004629272	1	35	-1.0	-50.18	286.05	0.16	-50.02
CC1=CN=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629273	0	33	-1.0	-54.48	286.41	0.58	-53.90
CC1=CN=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629273	1	33	-1.0	-54.48	286.47	0.59	-53.89
CC1(C)CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629274	0	43	-1.0	-53.83	313.56	2.93	-50.90
CC1(C)CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629274	1	43	-1.0	-53.86	313.63	2.93	-50.93
O=C(C1=CC=CC(F)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629275	0	30	-1.0	-49.80	256.60	0.60	-49.20
O=C(C1=CC=CC(F)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629275	1	30	-1.0	-49.83	256.53	0.58	-49.25
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC(=O)N1	REAL250004629276	0	34	-1.0	-64.91	279.24	-0.93	-65.84
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC(=O)N1	REAL250004629276	1	34	-1.0	-64.94	279.30	-0.92	-65.86
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=NC=N1	REAL250004629277	0	33	-1.0	-54.51	271.91	1.71	-52.80
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=NC=N1	REAL250004629277	1	33	-1.0	-54.45	271.86	1.70	-52.75
O=C([C@@H]1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629278	0	32	-1.0	-58.17	253.35	-0.02	-58.19
O=C([C@@H]1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629278	1	32	-1.0	-58.16	253.42	-0.01	-58.17
O=C([C@H]1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629279	0	32	-1.0	-58.11	252.32	-0.08	-58.19
O=C([C@H]1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629279	1	32	-1.0	-58.14	252.39	-0.08	-58.22
COC(=O)N[C@@H](C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629280	0	35	-1.0	-48.40	288.06	-2.62	-51.02
COC(=O)N[C@@H](C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629280	1	35	-1.0	-48.37	288.12	-2.60	-50.97
N#CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004629281	0	35	-1.0	-59.73	295.01	2.74	-56.99
N#CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004629281	1	35	-1.0	-59.71	295.08	2.74	-56.97
C#CCOCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629282	0	33	-1.0	-50.72	281.05	0.27	-50.45
C#CCOCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629282	1	33	-1.0	-50.75	281.12	0.28	-50.47
C=C(C)C(CC(=O)N1CCOCC1C1=N[N-]N=N1)OCC	REAL250004629283	0	41	-1.0	-52.80	327.23	2.27	-50.53
C=C(C)C(CC(=O)N1CCOCC1C1=NN=N[N-]1)OCC	REAL250004629283	1	41	-1.0	-52.88	327.30	2.28	-50.60
CC(O)(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629284	0	38	-1.0	-49.88	289.97	0.30	-49.58
CC(O)(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629284	1	38	-1.0	-49.91	290.04	0.33	-49.58
CCC(CC)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629285	0	42	-1.0	-53.31	305.82	2.67	-50.64
CCC(CC)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629285	1	42	-1.0	-53.38	305.83	2.69	-50.69
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCO1	REAL250004629286	0	38	-1.0	-54.15	289.60	0.51	-53.64
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCO1	REAL250004629286	1	38	-1.0	-54.15	289.67	0.54	-53.61
CC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629287	0	37	-1.0	-53.38	279.78	2.00	-51.38
CC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629287	1	37	-1.0	-53.37	279.85	2.00	-51.37
O=C(C1=CC=C(O)C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629288	0	32	-1.0	-56.70	270.08	-1.18	-57.88
O=C(C1=CC=C(O)C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629288	1	32	-1.0	-56.71	270.15	-1.17	-57.88
O=C(C1=CN=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629289	0	29	-1.0	-49.75	242.80	-0.48	-50.23
O=C(C1=CN=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629289	1	29	-1.0	-49.72	242.73	-0.48	-50.20
O=C(C1=NC=CC=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629290	0	31	-1.0	-56.21	260.62	-1.23	-57.44
O=C(C1=NC=CC=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629290	1	31	-1.0	-56.20	260.70	-1.22	-57.42
O=C(C1CC12CCOC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629291	0	36	-1.0	-51.72	282.12	0.32	-51.40
O=C(C1CC12CCOC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629291	1	36	-1.0	-51.70	282.19	0.34	-51.36
CN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL250004629292	0	33	-1.0	-50.40	267.61	-1.68	-52.08
CN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL250004629292	1	33	-1.0	-50.39	267.55	-1.71	-52.10
CCCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629293	0	36	-1.0	-49.12	296.03	-0.19	-49.31
CCCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629293	1	36	-1.0	-49.11	296.09	-0.18	-49.29
O=C(C1=CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629294	0	33	-1.0	-51.54	262.54	-0.45	-51.99
O=C(C1=CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629294	1	33	-1.0	-51.55	262.60	-0.44	-51.99
O=C(C1=COC(C2CC2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629295	0	34	-1.0	-49.50	284.51	-0.14	-49.64
O=C(C1=COC(C2CC2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629295	1	34	-1.0	-49.49	284.58	-0.12	-49.61
O=C(C1=CSC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629296	0	28	-1.0	-51.38	248.56	-2.60	-53.98
O=C(C1=CSC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629296	1	28	-1.0	-51.39	248.62	-2.57	-53.96
CC(C)(O)C(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629297	0	34	-1.0	-42.59	271.59	-2.27	-44.86
CC(C)(O)C(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629297	1	34	-1.0	-42.64	271.66	-2.25	-44.89
CC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(O)=C1	REAL250004629298	0	34	-1.0	-54.74	279.57	-0.21	-54.95
CC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(O)=C1	REAL250004629298	1	34	-1.0	-54.73	279.64	-0.21	-54.94
CC#CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629299	0	35	-1.0	-56.41	290.34	2.70	-53.71
CC#CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629299	1	35	-1.0	-56.38	290.41	2.72	-53.66
CC(CCC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629300	0	45	-1.0	-52.89	334.09	3.25	-49.64
CC(CCC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629300	1	45	-1.0	-52.93	334.17	3.25	-49.68
O=C(C1C=CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629301	0	35	-1.0	-51.75	268.88	1.84	-49.91
O=C(C1C=CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629301	1	35	-1.0	-51.76	268.95	1.86	-49.90
COC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629302	0	31	-1.0	-45.31	263.26	-2.65	-47.96
COC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629302	1	31	-1.0	-45.32	263.20	-2.66	-47.98
CCOC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629303	0	34	-1.0	-47.37	285.90	-2.10	-49.47
CCOC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629303	1	34	-1.0	-47.37	285.83	-2.11	-49.48
NC(=O)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629304	0	32	-1.0	-62.79	272.91	-3.50	-66.29
NC(=O)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629304	1	32	-1.0	-62.79	272.98	-3.48	-66.27
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CCNC(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629306	0	34	-1.0	-67.15	277.31	-0.64	-67.79
CCNC(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629306	1	34	-1.0	-67.17	277.38	-0.60	-67.77
CNC(=O)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629307	0	37	-1.0	-67.63	300.85	-1.23	-68.86
CNC(=O)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629307	1	37	-1.0	-67.62	300.92	-1.20	-68.82
CCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1C	REAL250004629308	0	37	-1.0	-56.49	297.79	1.39	-55.10
CCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1C	REAL250004629308	1	37	-1.0	-56.55	297.85	1.41	-55.14
C#CCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629309	0	38	-1.0	-55.16	311.52	3.30	-51.86
C#CCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629309	1	38	-1.0	-55.14	311.58	3.33	-51.81
CC1CC(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629310	0	43	-1.0	-53.49	322.03	3.31	-50.18
CC1CC(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629310	1	43	-1.0	-53.48	322.10	3.32	-50.16
CC1(C)CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629311	0	40	-1.0	-53.10	299.87	2.47	-50.63
CC1(C)CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629311	1	40	-1.0	-53.15	299.94	2.48	-50.67
CCCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629312	0	37	-1.0	-51.82	299.44	0.98	-50.84
CCCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629312	1	37	-1.0	-51.82	299.37	0.97	-50.85
COC(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629313	0	37	-1.0	-52.75	294.45	0.29	-52.46
COC(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629313	1	37	-1.0	-52.74	294.52	0.31	-52.43
C[C@H](C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004629314	0	37	-1.0	-53.96	294.45	3.04	-50.92
C[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004629314	1	37	-1.0	-53.94	294.52	3.05	-50.89
C[C@@H](C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004629315	0	37	-1.0	-52.79	292.19	2.90	-49.89
C[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004629315	1	37	-1.0	-52.76	292.25	2.91	-49.85
CCC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCO1	REAL250004629316	0	41	-1.0	-52.41	303.98	1.24	-51.17
CCC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCO1	REAL250004629316	1	41	-1.0	-52.40	304.04	1.25	-51.15
CCC(C)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629317	0	39	-1.0	-52.28	289.58	1.85	-50.43
CCC(C)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629317	1	39	-1.0	-52.31	289.64	1.86	-50.45
CC(C)OCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629318	0	40	-1.0	-55.97	317.04	1.22	-54.75
CC(C)OCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629318	1	40	-1.0	-55.99	317.11	1.25	-54.74
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COC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCC1	REAL250004629321	0	38	-1.0	-56.11	292.56	0.97	-55.14
COC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCC1	REAL250004629321	1	38	-1.0	-56.08	292.63	0.98	-55.10
CC1OCCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629322	0	38	-1.0	-51.05	289.43	0.30	-50.75
CC1OCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629322	1	38	-1.0	-51.07	289.52	0.32	-50.75
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCCO1	REAL250004629323	0	39	-1.0	-52.08	301.95	1.75	-50.33
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCCO1	REAL250004629323	1	39	-1.0	-52.10	302.01	1.75	-50.35
O=C(C1=CNN=C1[N+](=O)[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004629324	0	30	-1.0	-67.96	258.43	0.45	-67.51
O=C(C1=CNN=C1[N+](=O)[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004629324	1	30	-1.0	-67.94	258.50	0.48	-67.46
O=C(CCC1=CC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629325	0	36	-1.0	-52.92	295.73	1.69	-51.23
O=C(CCC1=CC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629325	1	36	-1.0	-52.90	295.80	1.70	-51.20
O=C(C1=CC(Cl)=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629326	0	28	-1.0	-52.02	261.65	1.12	-50.90
O=C(C1=CC(Cl)=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629326	1	28	-1.0	-52.02	261.72	1.12	-50.90
CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629327	0	34	-1.0	-51.60	270.85	1.86	-49.74
CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629327	1	34	-1.0	-51.62	270.90	1.87	-49.75
O=C(CCC1=CC=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629328	0	35	-1.0	-51.24	290.71	1.49	-49.75
O=C(CCC1=CC=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629328	1	35	-1.0	-51.24	290.78	1.49	-49.75
CCC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629330	0	36	-1.0	-51.61	276.60	1.70	-49.91
CCC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629330	1	36	-1.0	-51.60	276.66	1.71	-49.89
CC(F)(F)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629331	0	30	-1.0	-59.82	251.64	0.64	-59.18
CC(F)(F)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629331	1	30	-1.0	-59.86	251.70	0.67	-59.19
CCC(C(=O)OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629332	0	36	-1.0	-60.28	287.71	1.88	-58.40
CCC(C(=O)OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629332	1	36	-1.0	-60.30	287.73	1.90	-58.40
O=C(C1=CN=CC(Cl)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629333	0	29	-1.0	-46.93	261.93	-0.82	-47.75
O=C(C1=CN=CC(Cl)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629333	1	29	-1.0	-46.95	261.86	-0.82	-47.77
O=C(C1=CSC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629334	0	28	-1.0	-53.94	260.36	1.21	-52.73
O=C(C1=CSC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629334	1	28	-1.0	-53.94	260.42	1.22	-52.72
COC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629335	0	41	-1.0	-51.59	312.93	1.10	-50.49
COC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629335	1	41	-1.0	-51.61	312.94	1.10	-50.51
O=C(C1=CNC=C(F)C1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629336	0	31	-1.0	-60.97	263.14	-0.47	-61.44
O=C(C1=CNC=C(F)C1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629336	1	31	-1.0	-60.97	263.20	-0.46	-61.43
O=C(CCN1C=CN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629337	0	33	-1.0	-49.59	276.02	-0.56	-50.15
O=C(CCN1C=CN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629337	1	33	-1.0	-49.62	275.95	-0.59	-50.21
O=C(CC1OCCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629338	0	36	-1.0	-53.26	285.12	-0.04	-53.30
O=C(CC1OCCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629338	1	36	-1.0	-53.24	285.19	-0.01	-53.25
O=C(CC1OCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629339	0	33	-1.0	-54.13	267.22	-0.99	-55.12
O=C(CC1OCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629339	1	33	-1.0	-54.14	267.29	-0.98	-55.12
CCN1C=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629340	0	37	-1.0	-56.13	304.11	1.34	-54.79
CCN1C=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629340	1	37	-1.0	-56.15	304.04	1.32	-54.83
CC(C)N1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629341	0	37	-1.0	-52.37	296.58	0.72	-51.65
CC(C)N1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629341	1	37	-1.0	-52.36	296.51	0.72	-51.64
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629342	0	31	-1.0	-56.53	256.71	0.52	-56.01
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629342	1	31	-1.0	-56.55	256.78	0.53	-56.02
O=C(C=CC1=CC=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629343	0	33	-1.0	-55.97	273.80	1.10	-54.87
O=C(C=CC1=CC=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629343	1	33	-1.0	-56.00	273.87	1.10	-54.90
O=C(C1=CC=NC(F)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629344	0	30	-1.0	-59.84	259.35	-0.16	-60.00
O=C(C1=CC=NC(F)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629344	1	30	-1.0	-59.82	259.29	-0.18	-60.00
O=C(CCC1=CNC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629345	0	34	-1.0	-55.30	280.46	1.00	-54.30
O=C(CCC1=CNC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629345	1	34	-1.0	-55.35	280.53	1.03	-54.32
O=C(CCC1=CN=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629345	1	34	-1.0	-52.93	280.92	0.98	-51.95
O=C(C=CC1=CNC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629346	0	32	-1.0	-56.69	270.54	0.93	-55.76
O=C(C=CC1=CNC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629346	1	32	-1.0	-56.70	270.61	0.93	-55.77
CC(=O)CC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629347	0	41	-1.0	-60.59	308.35	2.17	-58.42
CC(=O)CC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629347	1	41	-1.0	-60.63	308.42	2.20	-58.43
CC(=O)N1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629348	0	35	-1.0	-57.42	287.52	-0.60	-58.02
CC(=O)N1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629348	1	35	-1.0	-57.40	287.59	-0.60	-58.00
O=C(NCC1CC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629349	0	35	-1.0	-43.08	287.14	-1.01	-44.09
O=C(NCC1CC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629349	1	35	-1.0	-43.07	287.21	-1.00	-44.07
CC[C@H]1CC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629350	0	43	-1.0	-52.76	316.62	3.40	-49.36
CC[C@H]1CC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629350	1	43	-1.0	-52.79	316.69	3.43	-49.36
O=C(C1=CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629351	0	35	-1.0	-53.12	276.17	1.99	-51.13
O=C(C1=CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629351	1	35	-1.0	-53.10	276.25	1.99	-51.11
CC(C)C1(C)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629352	0	40	-1.0	-52.17	297.67	2.73	-49.44
CC(C)C1(C)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629352	1	40	-1.0	-52.16	297.74	2.74	-49.42
O=C(CC1=COC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629353	0	31	-1.0	-53.31	260.43	0.64	-52.67
O=C(CC1=COC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629353	1	31	-1.0	-53.27	260.50	0.66	-52.61
O=C(CC1=CN=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629354	0	30	-1.0	-53.06	264.52	-0.05	-53.11
O=C(CC1=CN=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629354	1	30	-1.0	-53.05	264.45	-0.06	-53.11
COC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1C	REAL250004629355	0	35	-1.0	-55.72	281.19	-1.57	-57.29
COC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1C	REAL250004629355	1	35	-1.0	-55.74	281.13	-1.58	-57.32
CNC(=O)CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629356	0	40	-1.0	-54.29	322.35	-0.45	-54.74
CNC(=O)CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629356	1	40	-1.0	-54.31	322.42	-0.42	-54.73
O=C(C(O)C1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629357	0	41	-1.0	-51.12	304.69	0.63	-50.49
O=C(C(O)C1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629357	1	41	-1.0	-51.17	304.76	0.63	-50.54
CC1=NNN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629358	0	30	-1.0	-47.37	248.54	-2.16	-49.53
CC1=NNN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629358	1	30	-1.0	-47.36	248.60	-2.15	-49.51
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CO1	REAL250004629359	0	35	-1.0	-55.56	269.66	-0.41	-55.97
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CO1	REAL250004629359	1	35	-1.0	-55.52	269.73	-0.40	-55.92
CN1C=NC=C1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629360	0	37	-1.0	-52.43	302.09	2.58	-49.85
CN1C=NC=C1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629360	1	37	-1.0	-52.42	302.16	2.59	-49.83
CC(C)C(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629361	0	33	-1.0	-49.76	260.27	1.19	-48.57
CC(C)C(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629361	1	33	-1.0	-49.81	260.32	1.20	-48.61
CC1OC(=O)NC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629362	0	33	-1.0	-59.34	264.49	-3.13	-62.47
CC1OC(=O)NC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629362	1	33	-1.0	-59.39	264.56	-3.12	-62.51
CCN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629363	0	34	-1.0	-49.62	271.73	0.29	-49.33
CCN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629363	1	34	-1.0	-49.62	271.66	0.28	-49.34
O=C(C1=CCCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629364	0	38	-1.0	-54.40	279.38	2.29	-52.11
O=C(C1=CCCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629364	1	38	-1.0	-54.44	279.45	2.30	-52.14
O=C(C1=C(O)C=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629365	1	32	-1.0	-60.57	276.14	-0.93	-61.50
O=C(C1=C(O)C=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629365	1	32	-1.0	-60.59	276.21	-0.91	-61.50
CC1=CN=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629366	0	36	-1.0	-54.46	296.01	1.51	-52.95
CC1=CN=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629366	1	36	-1.0	-54.45	296.07	1.55	-52.90
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N(C)C=C1	REAL250004629367	0	35	-1.0	-53.62	287.79	2.03	-51.59
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N(C)C=C1	REAL250004629367	1	35	-1.0	-53.62	287.73	2.01	-51.61
CN1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004629368	0	35	-1.0	-50.17	279.53	-0.53	-50.70
CN1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004629368	1	35	-1.0	-50.12	279.60	-0.51	-50.63
CC1(C)CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629369	0	40	-1.0	-53.21	291.04	2.54	-50.67
CC1(C)CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629369	1	40	-1.0	-53.27	291.11	2.55	-50.72
CCOC1CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629370	0	41	-1.0	-58.01	323.19	1.69	-56.32
CCOC1CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629370	1	41	-1.0	-57.97	323.26	1.69	-56.28
O=C(C1=CC=CC(O)=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629371	0	33	-1.0	-60.09	272.99	-2.50	-62.59
O=C(C1=CC=CC(O)=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629371	1	33	-1.0	-60.09	272.93	-2.52	-62.61
CN1C=NC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629372	0	34	-1.0	-57.32	279.86	1.73	-55.59
CN1C=NC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629372	1	34	-1.0	-57.34	279.93	1.74	-55.60
CC(C)(O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629373	0	37	-1.0	-50.61	289.61	-1.54	-52.15
CC(C)(O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629373	1	37	-1.0	-50.60	289.69	-1.51	-52.11
CN1N=CC=C1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629374	0	37	-1.0	-50.52	301.81	1.00	-49.52
CN1N=CC=C1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629374	1	37	-1.0	-50.50	301.88	1.02	-49.48
O=C(N1CCOCC1C1=N[N-]N=N1)C1(F)CCCC1	REAL250004629375	0	34	-1.0	-49.79	263.82	1.35	-48.44
O=C(N1CCOCC1C1=NN=N[N-]1)C1(F)CCCC1	REAL250004629375	1	34	-1.0	-49.80	263.88	1.36	-48.44
O=C(C1=CC=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629376	0	29	-1.0	-49.34	243.92	0.68	-48.66
O=C(C1=CC=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629376	1	29	-1.0	-49.30	243.87	0.66	-48.64
CC1=CN=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629377	0	36	-1.0	-53.24	291.76	1.38	-51.86
CC1=CN=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629377	1	36	-1.0	-53.22	291.82	1.39	-51.83
O=C(CC1C=CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629378	0	38	-1.0	-54.19	291.94	2.87	-51.32
O=C(CC1C=CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629378	1	38	-1.0	-54.16	292.01	2.88	-51.28
CC1CCCC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629379	0	40	-1.0	-53.14	297.65	2.70	-50.44
CC1CCCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629379	1	40	-1.0	-53.11	297.71	2.71	-50.40
CN1C(=O)CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629380	0	35	-1.0	-59.90	281.96	-0.08	-59.98
CN1C(=O)CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629380	1	35	-1.0	-59.91	282.03	-0.07	-59.98
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629381	0	30	-1.0	-50.38	253.02	-1.73	-52.11
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629381	1	30	-1.0	-50.40	253.09	-1.72	-52.12
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004629382	0	37	-1.0	-53.30	292.08	3.02	-50.28
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004629382	1	37	-1.0	-53.29	292.14	3.03	-50.26
C[C@H](NC(N)=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629383	0	33	-1.0	-47.92	270.14	-4.85	-52.77
C[C@H](NC(N)=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629383	1	33	-1.0	-47.90	270.20	-4.83	-52.73
CC1=CC(C)=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629384	0	36	-1.0	-54.38	293.34	1.88	-52.50
CC1=CC(C)=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629384	1	36	-1.0	-54.39	293.41	1.89	-52.50
O=C(C1CCC(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629385	0	34	-1.0	-52.22	266.15	1.49	-50.73
O=C(C1CCC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629385	1	34	-1.0	-52.17	266.22	1.50	-50.67
CN1C=C(C(O)C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629386	0	35	-1.0	-57.69	285.14	-2.19	-59.88
CN1C=C(C(O)C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629386	1	35	-1.0	-57.72	285.07	-2.20	-59.92
O=C(C1=CC(C2CC2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629387	0	34	-1.0	-45.75	282.95	1.27	-44.48
O=C(C1=CC(C2CC2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629387	1	34	-1.0	-45.75	283.02	1.29	-44.46
O=C([C@H]1CCCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629388	0	35	-1.0	-58.94	277.40	-1.62	-60.56
O=C([C@H]1CCCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629388	1	35	-1.0	-58.95	277.47	-1.60	-60.55
CC1=C(C#N)C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629389	0	35	-1.0	-54.65	291.43	2.64	-52.01
CC1=C(C#N)C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629389	1	35	-1.0	-54.65	291.48	2.67	-51.98
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C#N	REAL250004629390	0	35	-1.0	-58.50	292.85	2.46	-56.04
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C#N	REAL250004629390	1	35	-1.0	-58.51	292.92	2.47	-56.04
CC1CC(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629391	0	38	-1.0	-59.53	288.04	1.65	-57.88
CC1CC(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629391	1	38	-1.0	-59.51	288.10	1.65	-57.86
O=C(COC1=CSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629392	0	32	-1.0	-56.56	279.49	1.41	-55.15
O=C(COC1=CSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629392	1	32	-1.0	-56.61	279.56	1.44	-55.17
CCC1CCCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629393	0	43	-1.0	-51.91	305.50	3.12	-48.79
CCC1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629393	1	43	-1.0	-51.91	305.58	3.14	-48.77
O=C(C1=CC=C(F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629394	0	30	-1.0	-49.09	255.93	0.84	-48.25
O=C(C1=CC=C(F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629394	1	30	-1.0	-49.10	255.86	0.84	-48.26
O=C(C=CC1=CN=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629395	0	31	-1.0	-53.29	273.79	0.53	-52.76
O=C(C=CC1=CN=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629395	1	31	-1.0	-53.28	273.86	0.54	-52.74
O=C([C@H]1C[C@@H]1C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629396	0	31	-1.0	-57.46	264.42	1.38	-56.08
O=C([C@H]1C[C@@H]1C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629396	1	31	-1.0	-57.45	264.49	1.39	-56.06
CCCCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629397	0	39	-1.0	-52.67	300.36	2.35	-50.32
CCCCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629397	1	39	-1.0	-52.67	300.43	2.35	-50.32
CC(CC(N)=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629398	0	34	-1.0	-49.11	272.66	-3.08	-52.19
CC(CC(N)=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629398	1	34	-1.0	-49.09	272.74	-3.07	-52.16
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C=O)N1	REAL250004629399	0	34	-1.0	-54.28	281.49	-0.32	-54.60
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C=O)N1	REAL250004629399	1	34	-1.0	-54.28	281.55	-0.30	-54.58
CN1N=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629400	0	30	-1.0	-46.62	247.71	-2.01	-48.63
CN1N=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629400	1	30	-1.0	-46.57	247.64	-2.03	-48.60
O=C(C1CCCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629401	0	38	-1.0	-55.65	286.20	0.26	-55.39
O=C(C1CCCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629401	1	38	-1.0	-55.65	286.27	0.28	-55.37
COC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629402	0	37	-1.0	-54.29	281.79	0.79	-53.50
COC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629402	1	37	-1.0	-54.21	281.85	0.80	-53.41
CNC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629403	0	35	-1.0	-53.19	282.57	-0.62	-53.81
CNC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629403	1	35	-1.0	-53.15	282.64	-0.61	-53.76
CC1=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)NC=N1	REAL250004629404	0	34	-1.0	-56.85	280.07	0.73	-56.12
CC1=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)NC=N1	REAL250004629404	1	34	-1.0	-56.89	280.14	0.74	-56.15
O=C(C1=NC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629405	0	27	-1.0	-49.67	240.35	-0.33	-50.00
O=C(C1=NC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629405	1	27	-1.0	-49.68	240.28	-0.35	-50.03
CC1=C(C)SC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629406	0	33	-1.0	-50.47	281.51	1.11	-49.36
CC1=C(C)SC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629406	1	33	-1.0	-50.41	281.56	1.13	-49.28
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C#N)O1	REAL250004629407	0	32	-1.0	-46.60	274.98	0.98	-45.62
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C#N)O1	REAL250004629407	1	32	-1.0	-46.59	275.05	1.00	-45.59
CC(C)(C#N)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629408	0	34	-1.0	-45.10	272.22	1.18	-43.92
CC(C)(C#N)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629408	1	34	-1.0	-45.13	272.29	1.21	-43.92
O=C(C1CCC(F)(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629409	0	34	-1.0	-48.86	271.91	1.50	-47.36
O=C(C1CCC(F)(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629409	1	34	-1.0	-48.84	271.97	1.50	-47.34
CC1(C)CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629410	0	38	-1.0	-58.79	293.50	1.25	-57.54
CC1(C)CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629410	1	38	-1.0	-58.79	293.56	1.26	-57.53
CCN1C=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629411	0	34	-1.0	-50.01	274.49	1.91	-48.10
CCN1C=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629411	1	34	-1.0	-50.03	274.42	1.90	-48.13
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC=C1	REAL250004629412	0	32	-1.0	-55.46	257.45	0.67	-54.79
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC=C1	REAL250004629412	1	32	-1.0	-55.46	257.39	0.64	-54.82
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CO1	REAL250004629413	0	34	-1.0	-52.97	273.73	1.24	-51.73
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CO1	REAL250004629413	1	34	-1.0	-53.00	273.79	1.25	-51.75
C#CC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629414	0	32	-1.0	-52.95	275.11	0.90	-52.05
C#CC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629414	1	32	-1.0	-52.94	275.18	0.90	-52.04
O=C(C1=CC=CN=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629415	0	30	-1.0	-63.30	252.82	-0.20	-63.50
O=C(C1=CC=CN=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629415	1	30	-1.0	-63.29	252.75	-0.22	-63.51
O=C(C1=CN=CC(O)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629416	0	31	-1.0	-52.39	258.86	-3.15	-55.54
O=C(C1=CN=CC(O)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629416	1	31	-1.0	-52.43	258.93	-3.14	-55.57
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=N1	REAL250004629417	0	33	-1.0	-53.11	269.51	0.43	-52.68
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=N1	REAL250004629417	1	33	-1.0	-53.15	269.57	0.44	-52.71
O=C(CCC1=NC=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629418	0	34	-1.0	-51.91	280.54	0.14	-51.77
O=C(CCC1=NC=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629418	1	34	-1.0	-51.91	280.61	0.17	-51.74
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=N1	REAL250004629419	0	36	-1.0	-52.92	290.27	1.11	-51.81
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=N1	REAL250004629419	1	36	-1.0	-52.91	290.35	1.12	-51.79
O=C(C1=C2NC=CC=C2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629420	0	34	-1.0	-57.96	279.55	-0.25	-58.21
O=C(C1=C2NC=CC=C2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629420	1	34	-1.0	-57.97	279.50	-0.26	-58.23
O=C(C1CCC(O)CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629421	0	38	-1.0	-52.89	289.99	-1.29	-54.18
O=C(C1CCC(O)CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629421	1	38	-1.0	-52.88	290.03	-1.27	-54.15
O=C(C1=CC=CC(CO)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629422	0	35	-1.0	-58.74	285.68	-1.10	-59.84
O=C(C1=CC=CC(CO)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629422	1	35	-1.0	-58.73	285.75	-1.10	-59.83
O=C(C1=CN=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629423	0	27	-1.0	-52.26	240.46	-1.18	-53.44
O=C(C1=CN=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629423	1	27	-1.0	-52.24	240.39	-1.19	-53.43
O=C(CC1CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629424	0	38	-1.0	-56.12	291.02	0.56	-55.56
O=C(CC1CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629424	1	38	-1.0	-56.12	291.08	0.57	-55.55
O=C(CCC1=CN=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629425	0	35	-1.0	-52.43	290.52	-0.17	-52.60
O=C(CCC1=CN=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629425	1	35	-1.0	-52.40	290.58	-0.17	-52.57
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1C	REAL250004629426	0	35	-1.0	-56.49	279.38	1.79	-54.70
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1C	REAL250004629426	1	35	-1.0	-56.50	279.38	1.79	-54.71
CC(C)N1C=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629427	0	37	-1.0	-54.61	299.01	3.09	-51.52
CC(C)N1C=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629427	1	37	-1.0	-54.60	298.94	3.06	-51.54
C=CC(C)(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629428	0	35	-1.0	-47.89	274.88	-0.46	-48.35
C=CC(C)(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629428	1	35	-1.0	-47.89	274.95	-0.46	-48.35
CC(=O)CSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629429	0	33	-1.0	-64.64	287.18	0.96	-63.68
CC(=O)CSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629429	1	33	-1.0	-64.61	287.25	0.99	-63.62
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SCCO1	REAL250004629430	0	34	-1.0	-55.17	285.56	0.76	-54.41
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SCCO1	REAL250004629430	1	34	-1.0	-55.19	285.62	0.77	-54.42
CC1COCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629431	0	38	-1.0	-50.82	279.67	0.08	-50.74
CC1COCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629431	1	38	-1.0	-50.83	279.73	0.08	-50.75
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NS1	REAL250004629432	0	30	-1.0	-51.66	260.71	0.46	-51.20
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NS1	REAL250004629432	1	30	-1.0	-51.65	260.78	0.47	-51.18
CCC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629433	0	36	-1.0	-52.03	290.81	1.12	-50.91
CCC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629433	1	36	-1.0	-52.02	290.75	1.12	-50.90
CC(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629434	0	33	-1.0	-49.57	282.05	0.60	-48.97
CC(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629434	1	33	-1.0	-49.57	282.11	0.63	-48.94
O=C(CC1=NC=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629435	0	33	-1.0	-54.99	280.04	0.82	-54.17
O=C(CC1=NC=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629435	1	33	-1.0	-55.00	280.11	0.84	-54.16
CC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629436	0	32	-1.0	-59.20	268.93	0.08	-59.12
CC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629436	1	32	-1.0	-59.15	269.00	0.08	-59.07
CC(C)(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629437	0	34	-1.0	-55.39	266.72	-1.37	-56.76
CC(C)(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629437	1	34	-1.0	-55.42	266.79	-1.35	-56.77
O=C(CCOCC(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629438	0	34	-1.0	-51.17	288.28	0.03	-51.14
O=C(CCOCC(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629438	1	34	-1.0	-51.17	288.35	0.06	-51.11
CC1C(=O)CCC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629439	0	39	-1.0	-51.57	301.67	1.88	-49.69
CC1C(=O)CCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629439	1	39	-1.0	-51.57	301.75	1.90	-49.67
O=C(CCC(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629440	0	30	-1.0	-53.35	253.90	0.71	-52.64
O=C(CCC(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629440	1	30	-1.0	-53.38	253.97	0.74	-52.64
CC=C(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629441	0	34	-1.0	-54.35	256.61	1.04	-53.31
CC=C(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629441	1	34	-1.0	-54.32	256.66	1.04	-53.28
CN1C=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629442	0	31	-1.0	-51.33	254.00	0.70	-50.63
CN1C=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629442	1	31	-1.0	-51.36	254.06	0.71	-50.65
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629443	0	35	-1.0	-56.93	276.36	1.12	-55.81
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629443	1	35	-1.0	-56.95	276.42	1.13	-55.82
O=C(C[C@@H]1CCCC[C@H]1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629444	0	41	-1.0	-54.97	309.83	-0.36	-55.33
O=C(C[C@@H]1CCCC[C@H]1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629444	1	41	-1.0	-54.99	309.90	-0.36	-55.35
O=C(C[C@H]1CCCC[C@@H]1O)N1CCOCC1C1=N[N-]N=N1	REAL250004629445	0	41	-1.0	-53.72	309.77	-0.37	-54.09
O=C(C[C@H]1CCCC[C@@H]1O)N1CCOCC1C1=NN=N[N-]1	REAL250004629445	1	41	-1.0	-53.71	309.84	-0.36	-54.07
CN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C#N	REAL250004629446	0	32	-1.0	-57.49	275.60	-0.46	-57.95
CN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C#N	REAL250004629446	1	32	-1.0	-57.46	275.54	-0.49	-57.95
CN1C=CC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629447	0	36	-1.0	-56.78	297.56	2.87	-53.91
CN1C=CC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629447	1	36	-1.0	-56.75	297.63	2.90	-53.85
CCC(C)C(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629448	0	40	-1.0	-54.35	305.10	1.37	-52.98
CCC(C)C(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629448	1	40	-1.0	-54.37	305.16	1.38	-52.99
O=C(C1=NC=C(F)C=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629450	0	30	-1.0	-53.49	260.30	0.95	-52.54
O=C(C1=NC=C(F)C=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629450	1	30	-1.0	-53.48	260.24	0.94	-52.54
COC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629451	0	33	-1.0	-49.06	275.67	-2.37	-51.43
COC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629451	1	33	-1.0	-49.03	275.60	-2.38	-51.41
O=C(C[C@H]1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629452	0	35	-1.0	-54.82	274.23	-0.19	-55.01
O=C(C[C@H]1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629452	1	35	-1.0	-54.76	274.30	-0.17	-54.93
O=C(C1=C(Cl)OC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629453	0	28	-1.0	-54.62	250.33	0.28	-54.34
O=C(C1=C(Cl)OC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629453	1	28	-1.0	-54.59	250.39	0.28	-54.31
CN1C=CC=C1C(=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629455	0	34	-1.0	-50.30	277.26	1.21	-49.09
CN1C=CC=C1C(=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629455	1	34	-1.0	-50.31	277.32	1.22	-49.09
CC(C)[C@H](O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629456	0	34	-1.0	-50.72	260.08	-1.35	-52.07
CC(C)[C@H](O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629456	1	34	-1.0	-50.76	260.13	-1.33	-52.09
CCC(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629457	0	39	-1.0	-52.46	298.53	2.39	-50.07
CCC(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629457	1	39	-1.0	-52.46	298.60	2.42	-50.04
O=C(C1=C2CCCC2=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629458	0	35	-1.0	-54.47	281.75	1.82	-52.65
O=C(C1=C2CCCC2=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629458	1	35	-1.0	-54.45	281.81	1.84	-52.61
O=C(C(O)C1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629459	0	34	-1.0	-56.02	277.18	-1.51	-57.53
O=C(C(O)C1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629459	1	34	-1.0	-56.01	277.13	-1.52	-57.53
CC1=NOC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629460	0	33	-1.0	-57.08	276.63	0.86	-56.22
CC1=NOC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629460	1	33	-1.0	-57.07	276.70	0.88	-56.19
O=C(C(O)C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629461	0	32	-1.0	-50.56	253.82	-1.08	-51.64
O=C(C(O)C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629461	1	32	-1.0	-50.54	253.88	-1.05	-51.59
CCC1OCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629462	0	38	-1.0	-54.93	286.49	0.60	-54.33
CCC1OCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629462	1	38	-1.0	-54.94	286.55	0.60	-54.34
COC(=O)COCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629463	0	34	-1.0	-67.20	288.82	0.39	-66.81
COC(=O)COCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629463	1	34	-1.0	-67.23	288.89	0.41	-66.82
CC(C)(C)CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629464	0	45	-1.0	-52.64	339.46	3.69	-48.95
CC(C)(C)CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629464	1	45	-1.0	-52.68	339.54	3.72	-48.96
CC(C)[C@@H](O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629465	0	34	-1.0	-50.49	258.49	-1.57	-52.06
CC(C)[C@@H](O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629465	1	34	-1.0	-50.44	258.56	-1.56	-52.00
CC(C)(C)OCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629466	0	43	-1.0	-56.02	331.07	1.62	-54.40
CC(C)(C)OCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629466	1	43	-1.0	-56.08	331.14	1.64	-54.44
CC1(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629467	0	37	-1.0	-51.90	277.53	1.90	-50.00
CC1(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629467	1	37	-1.0	-51.94	277.59	1.91	-50.03
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004629468	0	31	-1.0	-55.13	265.18	1.39	-53.74
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004629468	1	31	-1.0	-55.16	265.25	1.41	-53.75
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629469	0	30	-1.0	-47.99	264.29	0.18	-47.81
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629469	1	30	-1.0	-48.03	264.35	0.19	-47.84
CC1=COC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL250004629470	0	34	-1.0	-51.96	275.90	1.43	-50.53
CC1=COC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL250004629470	1	34	-1.0	-51.97	275.96	1.44	-50.53
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1	REAL250004629471	0	35	-1.0	-55.88	277.42	0.86	-55.02
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1	REAL250004629471	1	35	-1.0	-55.83	277.49	0.87	-54.96
CC(C)C1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1	REAL250004629472	0	38	-1.0	-57.26	299.11	1.45	-55.81
CC(C)C1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1	REAL250004629472	1	38	-1.0	-57.20	299.18	1.46	-55.74
O=C(COC(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629473	0	28	-1.0	-52.97	244.06	-0.71	-53.68
O=C(COC(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629473	1	28	-1.0	-53.00	244.13	-0.69	-53.69
CC1=NC=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629474	0	36	-1.0	-54.83	291.90	1.40	-53.43
CC1=NC=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629474	1	36	-1.0	-54.86	291.97	1.41	-53.45
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629475	0	38	-1.0	-54.62	307.34	3.99	-50.63
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629475	1	38	-1.0	-54.65	307.40	4.01	-50.64
O=C(C1=C(Cl)C=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629476	0	28	-1.0	-53.69	261.26	1.13	-52.56
O=C(C1=C(Cl)C=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629476	1	28	-1.0	-53.70	261.32	1.13	-52.57
CN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629477	0	30	-1.0	-50.68	252.77	-1.53	-52.21
CN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629477	1	30	-1.0	-50.68	252.71	-1.54	-52.22
O=C(C1=CN2C=NC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629478	0	34	-1.0	-52.71	279.51	2.99	-49.72
O=C(C1=CN2C=NC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629478	1	34	-1.0	-52.73	279.56	3.00	-49.73
O=C(C1COC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629479	0	30	-1.0	-59.03	251.24	-3.87	-62.90
O=C(C1COC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629479	1	30	-1.0	-59.05	251.31	-3.86	-62.91
CC1=COC(C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629480	0	34	-1.0	-53.30	284.03	1.35	-51.95
CC1=COC(C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629480	1	34	-1.0	-53.34	284.09	1.38	-51.96
CC1=NC=CN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629481	0	34	-1.0	-57.43	281.26	1.49	-55.94
CC1=NC=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629481	1	34	-1.0	-57.42	281.32	1.50	-55.92
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1Cl	REAL250004629482	0	31	-1.0	-52.05	273.81	0.41	-51.64
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1Cl	REAL250004629482	1	31	-1.0	-52.06	273.74	0.39	-51.67
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN=C1F	REAL250004629483	0	33	-1.0	-47.94	274.64	0.29	-47.65
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN=C1F	REAL250004629483	1	33	-1.0	-47.89	274.57	0.28	-47.61
CN1C=C(C=O)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629485	0	34	-1.0	-53.32	282.89	0.79	-52.53
CN1C=C(C=O)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629485	1	34	-1.0	-53.30	282.97	0.81	-52.49
CN1C(C=O)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629486	0	34	-1.0	-57.53	277.59	0.67	-56.86
CN1C(C=O)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629486	1	34	-1.0	-57.57	277.66	0.67	-56.90
O=C(CCC1=NNN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629487	0	33	-1.0	-50.59	275.34	-1.48	-52.07
O=C(CCC1=NNN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629487	1	33	-1.0	-50.59	275.40	-1.47	-52.06
CC1=CNN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629488	0	31	-1.0	-55.08	253.67	-0.67	-55.75
CC1=CNN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629488	1	31	-1.0	-55.05	253.74	-0.65	-55.70
O=C(CCC1(O)CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629489	0	38	-1.0	-53.51	297.61	-0.69	-54.20
O=C(CCC1(O)CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629489	1	38	-1.0	-53.54	297.68	-0.68	-54.22
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CS1	REAL250004629490	0	31	-1.0	-52.80	261.14	1.28	-51.52
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CS1	REAL250004629490	1	31	-1.0	-52.80	261.21	1.27	-51.53
O=C(CC1(O)CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629491	0	35	-1.0	-50.71	274.78	-0.33	-51.04
O=C(CC1(O)CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629491	1	35	-1.0	-50.69	274.85	-0.32	-51.01
CN1N=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629492	0	36	-1.0	-52.32	298.01	-0.37	-52.69
CN1N=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629492	1	36	-1.0	-52.32	298.09	-0.35	-52.67
O=C(CC1CCC2CC21)N1CCOCC1C1=N[N-]N=N1	REAL250004629493	0	38	-1.0	-52.97	293.06	3.07	-49.90
O=C(CC1CCC2CC21)N1CCOCC1C1=NN=N[N-]1	REAL250004629493	1	38	-1.0	-52.97	293.13	3.08	-49.89
CC1=NN=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629494	0	32	-1.0	-57.51	280.89	-0.56	-58.07
CC1=NN=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629494	1	32	-1.0	-57.48	280.96	-0.54	-58.02
O=C(CCC1=CN=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629495	0	35	-1.0	-50.44	291.19	1.48	-48.96
O=C(CCC1=CN=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629495	1	35	-1.0	-50.37	291.12	1.47	-48.90
CC[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629496	0	34	-1.0	-53.53	272.18	1.86	-51.67
CC[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629496	1	34	-1.0	-53.44	272.24	1.87	-51.57
O=C(C1CC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629497	0	28	-1.0	-51.19	242.92	0.57	-50.62
O=C(C1CC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629497	1	28	-1.0	-51.21	242.99	0.58	-50.63
O=C(CCCC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629498	0	39	-1.0	-64.38	317.39	2.73	-61.65
O=C(CCCC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629498	1	39	-1.0	-64.40	317.46	2.74	-61.66
CCCCCC(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629499	0	40	-1.0	-51.03	311.34	0.28	-50.75
CCCCCC(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629499	1	40	-1.0	-51.01	311.41	0.29	-50.72
O=C(C1=CNC2=NC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629500	0	34	-1.0	-48.95	278.87	0.96	-47.99
O=C(C1=CNC2=NC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629500	1	34	-1.0	-48.95	278.79	0.95	-48.00
O=C(C1=CN=C2NC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629500	1	34	-1.0	-55.95	279.28	0.77	-55.18
O=C(C1=CN=C2NC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629500	1	34	-1.0	-55.97	279.21	0.76	-55.21
O=C(CSC(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629501	0	28	-1.0	-51.06	256.36	0.54	-50.52
O=C(CSC(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629501	1	28	-1.0	-51.08	256.42	0.55	-50.53
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)=C1CCC1	REAL250004629502	0	35	-1.0	-55.77	274.69	1.99	-53.78
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)=C1CCC1	REAL250004629502	1	35	-1.0	-55.81	274.76	2.00	-53.81
O=C(C#CC1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629503	0	30	-1.0	-52.68	277.65	2.40	-50.28
O=C(C#CC1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629503	1	30	-1.0	-52.28	277.72	2.40	-49.88
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629504	0	40	-1.0	-53.46	312.89	3.17	-50.29
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629504	1	40	-1.0	-53.44	312.95	3.19	-50.25
O=C(CCC1CCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629505	0	38	-1.0	-57.42	303.81	-0.87	-58.29
O=C(CCC1CCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629505	1	38	-1.0	-57.42	303.87	-0.86	-58.28
CC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1C	REAL250004629506	0	43	-1.0	-53.52	311.46	2.97	-50.55
CC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1C	REAL250004629506	1	43	-1.0	-53.57	311.52	2.98	-50.59
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629507	0	36	-1.0	-56.25	283.87	0.09	-56.16
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629507	1	36	-1.0	-56.23	283.94	0.09	-56.14
CC(C)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629508	0	39	-1.0	-52.59	301.80	2.51	-50.08
CC(C)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629508	1	39	-1.0	-52.59	301.87	2.54	-50.05
CCCC1CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629509	0	43	-1.0	-54.30	316.55	3.61	-50.69
CCCC1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629509	1	43	-1.0	-54.31	316.62	3.62	-50.69
CN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1Cl	REAL250004629510	0	31	-1.0	-51.76	271.14	-0.27	-52.03
CN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1Cl	REAL250004629510	1	31	-1.0	-51.69	271.08	-0.29	-51.98
CCOC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629511	0	34	-1.0	-45.31	285.73	-1.84	-47.15
CCOC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629511	1	34	-1.0	-45.31	285.66	-1.87	-47.18
CC(C)(CCC(=O)N1CCOCC1C1=N[N-]N=N1)[N+](=O)[O-]	REAL250004629512	0	38	-1.0	-61.44	303.11	1.72	-59.72
CC(C)(CCC(=O)N1CCOCC1C1=NN=N[N-]1)[N+](=O)[O-]	REAL250004629512	1	38	-1.0	-61.39	303.18	1.74	-59.65
CC1=CN=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629513	0	33	-1.0	-50.33	269.20	0.64	-49.69
CC1=CN=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629513	1	33	-1.0	-50.31	269.15	0.63	-49.68
COCC#CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629514	0	30	-1.0	-55.64	261.46	-0.65	-56.29
COCC#CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629514	1	30	-1.0	-54.07	261.53	-0.64	-54.71
O=C(CC1CC(=O)NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629515	0	34	-1.0	-63.17	279.56	-1.33	-64.50
O=C(CC1CC(=O)NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629515	1	34	-1.0	-63.17	279.62	-1.31	-64.48
NC(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629516	0	33	-1.0	-55.29	276.51	-3.33	-58.62
NC(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629516	1	33	-1.0	-55.30	276.59	-3.33	-58.63
O=C(C1=C2C=CNC2=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629517	0	34	-1.0	-60.07	278.69	0.77	-59.30
O=C(C1=C2C=CNC2=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629517	1	34	-1.0	-60.06	278.62	0.74	-59.32
N#CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004629518	0	29	-1.0	-56.13	263.40	1.16	-54.97
N#CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004629518	1	29	-1.0	-56.13	263.46	1.18	-54.95
O=C(C1=NSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629519	0	27	-1.0	-51.64	238.85	-0.33	-51.97
O=C(C1=NSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629519	1	27	-1.0	-51.61	238.79	-0.35	-51.96
CCC1CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629520	0	40	-1.0	-54.44	296.44	3.18	-51.26
CCC1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629520	1	40	-1.0	-54.42	296.51	3.19	-51.23
C#CCOC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629521	0	33	-1.0	-59.31	276.15	0.84	-58.47
C#CCOC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629521	1	33	-1.0	-59.34	276.22	0.85	-58.49
CCC(C)=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629522	0	34	-1.0	-50.97	269.26	1.87	-49.10
CCC(C)=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629522	1	34	-1.0	-50.93	269.32	1.88	-49.05
O=C(C=CC1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629523	0	36	-1.0	-55.56	287.93	0.49	-55.07
O=C(C=CC1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629523	1	36	-1.0	-55.62	287.99	0.51	-55.11
O=C(C1=NN2CCCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629524	0	35	-1.0	-57.63	280.98	1.02	-56.61
O=C(C1=NN2CCCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629524	1	35	-1.0	-57.60	281.03	1.04	-56.56
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C#N)N1	REAL250004629525	0	33	-1.0	-49.96	279.03	0.40	-49.56
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C#N)N1	REAL250004629525	1	33	-1.0	-50.00	279.09	0.41	-49.59
O=C(C1=C2CCCN2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629526	0	35	-1.0	-54.45	280.89	0.19	-54.26
O=C(C1=C2CCCN2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629526	1	35	-1.0	-54.49	280.95	0.20	-54.29
O=C(C=CC1=CNN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629527	0	32	-1.0	-54.95	269.64	-0.30	-55.25
O=C(C=CC1=CNN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629527	1	32	-1.0	-54.89	269.58	-0.31	-55.20
O=C(C1=CC(=O)NN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629528	0	30	-1.0	-53.65	252.66	-2.95	-56.60
O=C(C1=CC(=O)NN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629528	1	30	-1.0	-53.66	252.73	-2.94	-56.60
CC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629529	0	32	-1.0	-62.43	262.55	0.06	-62.37
CC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629529	1	32	-1.0	-62.44	262.62	0.06	-62.38
O=C([C@@H]1CNC(=O)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629530	0	30	-1.0	-64.91	250.22	-3.58	-68.49
O=C([C@@H]1CNC(=O)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629530	1	30	-1.0	-64.95	250.29	-3.58	-68.53
C[Si](C)(C)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629531	0	42	-1.0	-54.37	334.70	5.07	-49.30
C[Si](C)(C)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629531	1	42	-1.0	-54.39	334.77	5.09	-49.30
CC1=NN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629532	0	29	-1.0	-47.71	257.35	-0.92	-48.63
CC1=NN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629532	1	29	-1.0	-47.69	257.42	-0.91	-48.60
O=C(CSC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629533	0	32	-1.0	-54.10	275.19	1.84	-52.26
O=C(CSC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629533	1	32	-1.0	-54.13	275.26	1.84	-52.29
CC1=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=NN1C	REAL250004629534	0	37	-1.0	-56.51	301.42	0.89	-55.62
CC1=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=NN1C	REAL250004629534	1	37	-1.0	-56.54	301.48	0.89	-55.65
CC1=CC(C#N)=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629535	0	34	-1.0	-51.56	294.42	1.07	-50.49
CC1=CC(C#N)=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629535	1	34	-1.0	-51.58	294.37	1.06	-50.52
O=C([C@H]1C[C@@H]1C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629536	0	35	-1.0	-53.97	283.62	2.68	-51.29
O=C([C@H]1C[C@@H]1C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629536	1	35	-1.0	-53.98	283.69	2.69	-51.29
CC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004629537	0	34	-1.0	-61.41	281.84	0.62	-60.79
CC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004629537	1	34	-1.0	-61.42	281.91	0.65	-60.77
COC1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629538	0	41	-1.0	-57.01	312.89	1.10	-55.91
COC1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629538	1	41	-1.0	-57.01	312.95	1.11	-55.90
CNC(=O)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629539	0	36	-1.0	-64.93	295.40	-3.35	-68.28
CNC(=O)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629539	1	36	-1.0	-64.93	295.46	-3.33	-68.26
CCN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629540	0	33	-1.0	-50.40	274.57	-0.75	-51.15
CCN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629540	1	33	-1.0	-50.37	274.51	-0.78	-51.15
CCOC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629541	0	35	-1.0	-49.61	289.21	-2.79	-52.40
CCOC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629541	1	35	-1.0	-49.61	289.28	-2.78	-52.39
O=C(C1CC2=CC=CC=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629542	0	38	-1.0	-53.16	298.47	3.51	-49.65
O=C(C1CC2=CC=CC=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629542	1	38	-1.0	-53.17	298.54	3.52	-49.65
CCCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629543	0	36	-1.0	-48.89	295.20	2.03	-46.86
CCCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629543	1	36	-1.0	-48.84	295.25	2.05	-46.79
CCC1CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629544	0	34	-1.0	-53.47	272.09	1.85	-51.62
CCC1CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629544	1	34	-1.0	-53.47	272.16	1.86	-51.61
O=C(CC1=NC=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629545	0	31	-1.0	-61.82	258.30	-0.60	-62.42
O=C(CC1=NC=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629545	1	31	-1.0	-61.85	258.36	-0.57	-62.42
O=C(CCC1=NOC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629546	0	33	-1.0	-52.89	276.52	0.75	-52.14
O=C(CCC1=NOC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629546	1	33	-1.0	-52.94	276.58	0.76	-52.18
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)(F)F	REAL250004629547	0	33	-1.0	-60.26	264.07	0.80	-59.46
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)(F)F	REAL250004629547	1	33	-1.0	-60.25	264.13	0.80	-59.45
CCN1N=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629548	0	33	-1.0	-45.97	268.12	-1.19	-47.16
CCN1N=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629548	1	33	-1.0	-45.97	268.05	-1.20	-47.17
N#CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629549	0	31	-1.0	-60.86	262.09	0.96	-59.90
N#CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629549	1	31	-1.0	-60.85	262.16	0.98	-59.87
CC1=NC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629550	0	34	-1.0	-54.06	274.09	0.18	-53.88
CC1=NC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629550	1	34	-1.0	-54.00	274.17	0.20	-53.80
CCN1N=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629551	0	36	-1.0	-49.84	293.01	-0.17	-50.01
CCN1N=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629551	1	36	-1.0	-49.84	293.07	-0.15	-49.99
O=CC1=CNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629552	0	31	-1.0	-53.65	263.32	-0.32	-53.97
O=CC1=CNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629552	1	31	-1.0	-53.71	263.39	-0.32	-54.03
O=C(CC1=CN=CC(O)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629553	0	34	-1.0	-56.53	285.59	-1.98	-58.51
O=C(CC1=CN=CC(O)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629553	1	34	-1.0	-56.53	285.66	-1.96	-58.49
COC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004629554	0	33	-1.0	-56.84	277.06	-1.23	-58.07
COC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004629554	1	33	-1.0	-56.82	276.99	-1.23	-58.05
O=C(C1CC2CCC1CC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629555	0	41	-1.0	-54.01	294.68	2.89	-51.12
O=C(C1CC2CCC1CC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629555	1	41	-1.0	-54.00	294.74	2.90	-51.10
COCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629556	0	35	-1.0	-54.31	290.11	-1.28	-55.59
COCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629556	1	35	-1.0	-54.33	290.04	-1.30	-55.63
N#CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629557	0	32	-1.0	-64.83	268.08	1.28	-63.55
N#CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629557	1	32	-1.0	-64.85	268.14	1.29	-63.56
CC1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629558	0	31	-1.0	-53.01	266.41	1.27	-51.74
CC1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629558	1	31	-1.0	-53.06	266.48	1.28	-51.78
CCCC(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629559	0	37	-1.0	-54.76	291.33	1.00	-53.76
CCCC(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629559	1	37	-1.0	-54.77	291.39	1.01	-53.76
O=C(C1=NC=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004629560	0	30	-1.0	-54.37	264.84	1.11	-53.26
O=C(C1=NC=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004629560	1	30	-1.0	-54.32	264.76	1.11	-53.21
O=C(C1=C(C2CC2)OC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629561	0	34	-1.0	-52.59	280.97	-0.14	-52.73
O=C(C1=C(C2CC2)OC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629561	1	34	-1.0	-52.57	280.90	-0.15	-52.72
O=C(C1=C(F)C=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629562	0	28	-1.0	-58.63	252.07	0.69	-57.94
O=C(C1=C(F)C=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629562	1	28	-1.0	-58.62	252.13	0.70	-57.92
COCC(C)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629563	0	40	-1.0	-54.04	304.29	0.31	-53.73
COCC(C)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629563	1	40	-1.0	-54.03	304.35	0.31	-53.72
CCC[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629564	0	37	-1.0	-53.30	293.62	2.63	-50.67
CCC[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629564	1	37	-1.0	-53.30	293.69	2.64	-50.66
CN1C=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629565	0	37	-1.0	-54.97	304.36	1.16	-53.81
CN1C=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629565	1	37	-1.0	-54.95	304.44	1.16	-53.79
COC1CCCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629566	0	41	-1.0	-53.97	309.07	1.68	-52.29
COC1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629566	1	41	-1.0	-53.95	309.13	1.69	-52.26
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)O1	REAL250004629567	0	33	-1.0	-49.60	271.15	-0.89	-50.49
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)O1	REAL250004629567	1	33	-1.0	-49.64	271.22	-0.88	-50.52
CCC(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629568	0	34	-1.0	-56.42	272.31	-1.29	-57.71
CCC(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629568	1	34	-1.0	-56.42	272.38	-1.29	-57.71
CC(C)N1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629569	0	36	-1.0	-48.31	293.62	-0.01	-48.32
CC(C)N1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629569	1	36	-1.0	-48.35	293.55	-0.01	-48.36
O=C(CCCC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629570	0	37	-1.0	-52.91	294.36	2.79	-50.12
O=C(CCCC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629570	1	37	-1.0	-52.89	294.43	2.81	-50.08
O=C(CCC1=NC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629571	0	35	-1.0	-55.75	291.12	0.66	-55.09
O=C(CCC1=NC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629571	1	35	-1.0	-55.73	291.19	0.69	-55.04
O=C(CCC1=CN=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629572	0	33	-1.0	-50.91	286.37	0.70	-50.21
O=C(CCC1=CN=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629572	1	33	-1.0	-50.92	286.30	0.69	-50.23
CC(C)(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629573	0	40	-1.0	-50.04	296.60	2.82	-47.22
CC(C)(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629573	1	40	-1.0	-50.04	296.67	2.85	-47.19
CCC1=NC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629574	0	36	-1.0	-49.36	292.85	-1.07	-50.43
CCC1=NC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629574	1	36	-1.0	-49.34	292.92	-1.07	-50.41
CN1N=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629575	0	29	-1.0	-51.49	247.21	-2.00	-53.49
CN1N=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629575	1	29	-1.0	-51.47	247.15	-2.01	-53.48
O=C(C1=NOC(CO)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629576	0	31	-1.0	-51.55	263.62	-2.87	-54.42
O=C(C1=NOC(CO)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629576	1	31	-1.0	-51.56	263.68	-2.85	-54.41
O=C(CC1=CC=NC(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629577	0	33	-1.0	-54.38	281.00	0.85	-53.53
O=C(CC1=CC=NC(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629577	1	33	-1.0	-54.40	281.07	0.87	-53.53
CC1=CC=C(O)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629578	0	35	-1.0	-51.56	285.13	-0.50	-52.06
CC1=CC=C(O)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629578	1	35	-1.0	-51.58	285.07	-0.51	-52.09
COCC1=NOC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629579	0	34	-1.0	-55.83	284.39	-1.13	-56.96
COCC1=NOC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629579	1	34	-1.0	-55.86	284.47	-1.13	-56.99
COC(=O)CC(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629580	0	39	-1.0	-61.52	309.32	1.70	-59.82
COC(=O)CC(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629580	1	39	-1.0	-61.55	309.39	1.73	-59.82
O=C(C1=C(C2CC2)N=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629581	0	34	-1.0	-52.04	280.83	-1.09	-53.13
O=C(C1=C(C2CC2)N=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629581	1	34	-1.0	-52.01	280.90	-1.06	-53.07
O=C(N1CCOCC1C1=N[N-]N=N1)C1(F)CCCCC1	REAL250004629582	0	37	-1.0	-48.72	279.87	2.01	-46.71
O=C(N1CCOCC1C1=NN=N[N-]1)C1(F)CCCCC1	REAL250004629582	1	37	-1.0	-48.71	279.94	2.03	-46.68
N#CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629583	0	31	-1.0	-50.70	271.28	0.93	-49.77
N#CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629583	1	31	-1.0	-50.69	271.21	0.92	-49.77
CC(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629584	0	34	-1.0	-52.47	282.75	0.24	-52.23
CC(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629584	1	34	-1.0	-52.47	282.82	0.26	-52.21
O=C(CC1CCCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629585	0	38	-1.0	-60.61	297.57	-0.68	-61.29
O=C(CC1CCCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629585	1	38	-1.0	-60.61	297.64	-0.65	-61.26
O=C(C1CCCSC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629586	0	35	-1.0	-49.56	280.20	1.77	-47.79
O=C(C1CCCSC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629586	1	35	-1.0	-49.58	280.27	1.77	-47.81
O=C(C1=NN2CCOC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629587	0	33	-1.0	-55.44	272.53	-2.01	-57.45
O=C(C1=NN2CCOC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629587	1	33	-1.0	-55.43	272.46	-2.04	-57.47
CC1CC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629588	0	34	-1.0	-53.13	272.46	1.89	-51.24
CC1CC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629588	1	34	-1.0	-53.12	272.53	1.89	-51.23
C#CC1=CC=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629589	0	36	-1.0	-53.87	304.86	3.74	-50.13
C#CC1=CC=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629589	1	36	-1.0	-53.88	304.93	3.76	-50.12
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629590	0	33	-1.0	-63.77	273.48	-4.71	-68.48
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629590	1	33	-1.0	-63.78	273.54	-4.68	-68.46
C=CC(=O)N(CC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629591	0	38	-1.0	-58.65	305.54	1.11	-57.54
C=CC(=O)N(CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629591	1	38	-1.0	-58.69	305.63	1.14	-57.55
CN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629592	0	30	-1.0	-49.15	253.27	-1.39	-50.54
CN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629592	1	30	-1.0	-49.20	253.20	-1.40	-50.60
CC1=NSC(C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629593	0	33	-1.0	-48.73	285.45	0.75	-47.98
CC1=NSC(C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629593	1	33	-1.0	-48.75	285.51	0.78	-47.97
O=C(C1=CN(CCF)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629594	0	34	-1.0	-51.44	284.53	0.36	-51.08
O=C(C1=CN(CCF)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629594	1	34	-1.0	-51.45	284.46	0.35	-51.10
O=C(N1CCOCC1C1=N[N-]N=N1)C1(F)CCOC1	REAL250004629595	0	32	-1.0	-49.98	255.29	-1.24	-51.22
O=C(N1CCOCC1C1=NN=N[N-]1)C1(F)CCOC1	REAL250004629595	1	32	-1.0	-50.00	255.34	-1.23	-51.23
O=C(N1CCOCC1C1=N[N-]N=N1)C1(CCF)CC1	REAL250004629596	0	34	-1.0	-51.81	276.54	1.70	-50.11
O=C(N1CCOCC1C1=NN=N[N-]1)C1(CCF)CC1	REAL250004629596	1	34	-1.0	-51.79	276.59	1.72	-50.07
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1C	REAL250004629597	0	38	-1.0	-57.16	299.13	2.51	-54.65
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1C	REAL250004629597	1	38	-1.0	-57.17	299.20	2.51	-54.66
O=C(CN1C=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629598	0	31	-1.0	-56.98	260.55	1.68	-55.30
O=C(CN1C=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629598	1	31	-1.0	-57.02	260.62	1.70	-55.32
O=C(CN1C=C(Cl)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629599	0	31	-1.0	-58.55	277.04	0.57	-57.98
O=C(CN1C=C(Cl)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629599	1	31	-1.0	-58.52	276.97	0.55	-57.97
CC1=NN=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629600	0	32	-1.0	-59.77	272.20	-4.42	-64.19
CC1=NN=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629600	1	32	-1.0	-59.80	272.26	-4.42	-64.22
CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCCC1	REAL250004629601	0	40	-1.0	-51.63	297.79	2.76	-48.87
CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCCC1	REAL250004629601	1	40	-1.0	-51.65	297.86	2.76	-48.89
N#CCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629602	0	37	-1.0	-60.06	305.09	2.52	-57.54
N#CCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629602	1	37	-1.0	-60.01	305.16	2.55	-57.46
CCOC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629603	0	38	-1.0	-50.18	301.59	0.88	-49.30
CCOC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629603	1	38	-1.0	-50.23	301.65	0.88	-49.35
O=C(C1CC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629604	0	29	-1.0	-57.10	244.22	-3.77	-60.87
O=C(C1CC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629604	1	29	-1.0	-57.11	244.28	-3.76	-60.87
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC(=O)N1	REAL250004629605	0	32	-1.0	-46.97	262.64	-2.37	-49.34
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC(=O)N1	REAL250004629605	1	32	-1.0	-46.95	262.70	-2.36	-49.31
CC1=NN=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004629606	0	33	-1.0	-67.23	274.93	-0.06	-67.29
CC1=NN=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004629606	1	33	-1.0	-67.25	274.99	-0.04	-67.29
O=C(C1CCNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629607	0	32	-1.0	-47.92	254.85	-2.84	-50.76
O=C(C1CCNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629607	1	32	-1.0	-47.93	254.92	-2.84	-50.77
O=C(C1=CC(C(F)F)=NN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629608	0	31	-1.0	-51.48	268.88	-0.67	-52.15
O=C(C1=CC(C(F)F)=NN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629608	1	31	-1.0	-51.49	268.94	-0.66	-52.15
O=C(C=CC1=NC=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629610	0	32	-1.0	-52.87	270.99	0.11	-52.76
O=C(C=CC1=NC=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629610	1	32	-1.0	-52.86	271.06	0.13	-52.73
CC(CC1=CNC=N1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629611	0	37	-1.0	-54.83	298.08	1.41	-53.42
CC(CC1=CNC=N1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629611	1	37	-1.0	-54.85	298.14	1.42	-53.43
CC(CC1=CN=CN1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629611	1	37	-1.0	-52.52	293.87	1.18	-51.34
O=C(CC1CCC(=O)NC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629612	0	38	-1.0	-56.15	296.96	-1.03	-57.18
O=C(CC1CCC(=O)NC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629612	1	38	-1.0	-56.16	297.03	-1.03	-57.19
O=C(COCC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629613	0	41	-1.0	-56.89	320.09	2.62	-54.27
O=C(COCC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629613	1	41	-1.0	-56.91	320.15	2.62	-54.29
O=C(CC1CC2CCC1O2)N1CCOCC1C1=N[N-]N=N1	REAL250004629614	0	39	-1.0	-55.30	294.34	0.76	-54.54
O=C(CC1CC2CCC1O2)N1CCOCC1C1=NN=N[N-]1	REAL250004629614	1	39	-1.0	-55.31	294.42	0.77	-54.54
CC1(C)CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629615	0	41	-1.0	-52.76	305.63	2.84	-49.92
CC1(C)CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629615	1	41	-1.0	-52.79	305.69	2.85	-49.94
CC1CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629616	0	38	-1.0	-53.57	287.61	2.43	-51.14
CC1CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629616	1	38	-1.0	-53.56	287.68	2.43	-51.13
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCOCC1C1=N[N-]N=N1	REAL250004629617	0	36	-1.0	-58.98	276.10	0.01	-58.97
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCOCC1C1=NN=N[N-]1	REAL250004629617	1	36	-1.0	-58.99	276.16	0.02	-58.97
CC(C)CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629618	0	42	-1.0	-52.55	323.30	3.29	-49.26
CC(C)CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629618	1	42	-1.0	-52.55	323.37	3.32	-49.23
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCOCC1C1=N[N-]N=N1	REAL250004629619	0	37	-1.0	-57.38	286.04	1.48	-55.90
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCOCC1C1=NN=N[N-]1	REAL250004629619	1	37	-1.0	-57.41	286.10	1.50	-55.91
CN1C(=O)CCC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629620	0	38	-1.0	-50.33	299.27	0.25	-50.08
CN1C(=O)CCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629620	1	38	-1.0	-50.34	299.34	0.26	-50.08
O=C(CC1CC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629621	0	32	-1.0	-55.36	264.72	-3.35	-58.71
O=C(CC1CC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629621	1	32	-1.0	-55.39	264.79	-3.35	-58.74
O=C(C1CCOC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629622	0	33	-1.0	-60.24	267.47	-2.82	-63.06
O=C(C1CCOC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629622	1	33	-1.0	-60.21	267.54	-2.81	-63.02
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCC(=O)N1	REAL250004629623	0	38	-1.0	-58.90	295.55	-1.42	-60.32
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC(=O)N1	REAL250004629623	1	38	-1.0	-58.94	295.62	-1.41	-60.35
O=C(C1=CSC(CO)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629624	0	31	-1.0	-55.17	272.79	-3.23	-58.40
O=C(C1=CSC(CO)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629624	1	31	-1.0	-55.15	272.86	-3.21	-58.36
O=C(CCC1=CNN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629625	0	34	-1.0	-53.04	281.47	-0.06	-53.10
O=C(CCC1=CNN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629625	1	34	-1.0	-53.01	281.40	-0.07	-53.08
CCC1=NN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629626	0	32	-1.0	-46.91	278.78	-0.24	-47.15
CCC1=NN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629626	1	32	-1.0	-46.91	278.85	-0.21	-47.12
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCC1	REAL250004629627	0	37	-1.0	-54.03	285.35	2.11	-51.92
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC1	REAL250004629627	1	37	-1.0	-54.04	285.42	2.12	-51.92
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NC=C1C#N	REAL250004629628	0	34	-1.0	-49.08	290.36	1.54	-47.54
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NC=C1C#N	REAL250004629628	1	34	-1.0	-49.08	290.43	1.55	-47.53
CCC(CC(F)F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629629	0	36	-1.0	-49.64	287.57	1.89	-47.75
CCC(CC(F)F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629629	1	36	-1.0	-49.64	287.65	1.90	-47.74
CCC(C)(C)OCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629630	0	40	-1.0	-56.80	305.83	1.68	-55.12
CCC(C)(C)OCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629630	1	40	-1.0	-56.78	305.90	1.68	-55.10
CC(C)(C)C1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629631	0	43	-1.0	-52.97	319.37	3.30	-49.67
CC(C)(C)C1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629631	1	43	-1.0	-53.00	319.42	3.30	-49.70
CC(C)(C)C#CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629632	0	35	-1.0	-53.27	290.23	2.23	-51.04
CC(C)(C)C#CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629632	1	35	-1.0	-53.25	290.29	2.25	-51.00
CC1=NON=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629633	0	32	-1.0	-59.25	271.96	-0.81	-60.06
CC1=NON=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629633	1	32	-1.0	-59.29	272.02	-0.78	-60.07
CC1=CN(C)N=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629634	0	34	-1.0	-56.26	276.42	0.78	-55.48
CC1=CN(C)N=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629634	1	34	-1.0	-56.23	276.36	0.78	-55.45
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629635	0	38	-1.0	-54.29	307.30	3.95	-50.34
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629635	1	38	-1.0	-54.31	307.36	3.95	-50.36
O=C(C1=CN=CC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629636	0	30	-1.0	-49.87	264.65	0.22	-49.65
O=C(C1=CN=CC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629636	1	30	-1.0	-49.88	264.57	0.21	-49.67
O=C(C(O)C1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629637	0	35	-1.0	-50.59	269.72	-0.32	-50.91
O=C(C(O)C1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629637	1	35	-1.0	-50.62	269.76	-0.31	-50.93
CCC(CC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629638	0	42	-1.0	-52.11	315.21	2.93	-49.18
CCC(CC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629638	1	42	-1.0	-52.14	315.26	2.92	-49.22
O=C(C1=CC2=CC=CNC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629639	0	34	-1.0	-72.70	282.18	1.75	-70.95
O=C(C1=CC2=CC=CNC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629639	1	34	-1.0	-72.73	282.11	1.75	-70.98
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N(C)N=C1	REAL250004629640	0	34	-1.0	-49.76	282.78	0.35	-49.41
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N(C)N=C1	REAL250004629640	1	34	-1.0	-49.72	282.72	0.34	-49.38
COCC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629641	0	40	-1.0	-52.67	304.53	0.78	-51.89
COCC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629641	1	40	-1.0	-52.69	304.60	0.81	-51.88
O=C(C1CCC(F)CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629642	0	37	-1.0	-58.28	285.24	2.13	-56.15
O=C(C1CCC(F)CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629642	1	37	-1.0	-58.24	285.27	2.14	-56.10
CCC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629643	0	36	-1.0	-53.70	291.67	2.13	-51.57
CCC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629643	1	36	-1.0	-53.68	291.74	2.14	-51.54
O=C(CC1CC(F)(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629644	0	34	-1.0	-54.69	280.90	1.91	-52.78
O=C(CC1CC(F)(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629644	1	34	-1.0	-54.68	280.96	1.94	-52.74
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1C	REAL250004629645	0	36	-1.0	-54.21	288.88	1.77	-52.44
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1C	REAL250004629645	1	36	-1.0	-54.23	288.95	1.78	-52.45
COC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=NN1C	REAL250004629646	0	35	-1.0	-53.57	289.46	-1.79	-55.36
COC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=NN1C	REAL250004629646	1	35	-1.0	-53.57	289.39	-1.81	-55.38
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004629647	0	30	-1.0	-51.12	258.88	0.79	-50.33
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004629647	1	30	-1.0	-51.14	258.95	0.81	-50.33
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629648	0	32	-1.0	-50.45	266.85	-0.17	-50.62
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629648	1	32	-1.0	-50.48	266.92	-0.16	-50.64
CCCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CN1	REAL250004629649	0	38	-1.0	-56.43	298.93	1.63	-54.80
CCCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CN1	REAL250004629649	1	38	-1.0	-56.46	298.98	1.64	-54.82
COC(CC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629650	0	40	-1.0	-55.72	300.65	1.57	-54.15
COC(CC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629650	1	40	-1.0	-55.71	300.72	1.59	-54.12
O=C(C1CCC2CC2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629651	0	38	-1.0	-53.26	284.42	2.56	-50.70
O=C(C1CCC2CC2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629651	1	38	-1.0	-53.25	284.48	2.57	-50.68
CC1=C(F)C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629652	0	34	-1.0	-52.80	278.10	2.44	-50.36
CC1=C(F)C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629652	1	34	-1.0	-52.82	278.15	2.46	-50.36
CN1C=NC=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629653	0	35	-1.0	-54.76	288.78	2.47	-52.29
CN1C=NC=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629653	1	35	-1.0	-54.73	288.83	2.48	-52.25
CN1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCC1=O	REAL250004629654	0	38	-1.0	-52.31	296.23	0.04	-52.27
CN1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCC1=O	REAL250004629654	1	38	-1.0	-52.31	296.31	0.03	-52.28
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004629655	0	37	-1.0	-51.88	297.17	1.12	-50.76
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004629655	1	37	-1.0	-51.89	297.10	1.10	-50.79
C=CC(=O)N(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629656	0	35	-1.0	-58.17	288.93	0.20	-57.97
C=CC(=O)N(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629656	1	35	-1.0	-58.13	289.00	0.23	-57.90
O=C(CC1=NN=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629657	0	30	-1.0	-66.78	252.96	0.07	-66.71
O=C(CC1=NN=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629657	1	30	-1.0	-66.79	253.02	0.10	-66.69
COC1=NSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629658	0	31	-1.0	-48.22	272.83	-2.54	-50.76
COC1=NSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629658	1	31	-1.0	-48.22	272.77	-2.56	-50.78
O=C(C(F)=C1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629659	0	32	-1.0	-47.77	261.85	1.70	-46.07
O=C(C(F)=C1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629659	1	32	-1.0	-47.80	261.91	1.70	-46.10
CNC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629660	0	34	-1.0	-54.63	279.12	-1.49	-56.12
CNC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629660	1	34	-1.0	-54.64	279.05	-1.50	-56.14
CC1CCCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629661	0	40	-1.0	-53.26	298.39	2.62	-50.64
CC1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629661	1	40	-1.0	-53.22	298.46	2.63	-50.59
NC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629662	0	32	-1.0	-63.57	270.20	1.07	-62.50
NC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629662	1	32	-1.0	-63.56	270.13	1.04	-62.52
O=C(C1CCCC(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629663	0	37	-1.0	-52.91	283.91	2.06	-50.85
O=C(C1CCCC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629663	1	37	-1.0	-52.86	283.97	2.08	-50.78
CN1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)NC1=O	REAL250004629664	0	34	-1.0	-60.72	276.81	-2.71	-63.43
CN1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)NC1=O	REAL250004629664	1	34	-1.0	-60.76	276.88	-2.71	-63.47
CC1=C(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629665	0	41	-1.0	-51.85	307.61	3.14	-48.71
CC1=C(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629665	1	41	-1.0	-51.86	307.67	3.16	-48.70
O=C(C1=CN2CCCC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629666	0	35	-1.0	-56.70	280.88	2.25	-54.45
O=C(C1=CN2CCCC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629666	1	35	-1.0	-56.71	280.93	2.27	-54.44
CON1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629667	0	40	-1.0	-51.92	307.75	-0.24	-52.16
CON1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629667	1	40	-1.0	-51.95	307.81	-0.22	-52.17
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=NC=C1	REAL250004629669	0	36	-1.0	-53.54	287.34	1.27	-52.27
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=NC=C1	REAL250004629669	1	36	-1.0	-53.55	287.41	1.27	-52.28
O=C(C1CC2(CCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629670	0	38	-1.0	-53.19	294.92	2.80	-50.39
O=C(C1CC2(CCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629670	1	38	-1.0	-53.20	294.99	2.82	-50.38
COC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629671	0	34	-1.0	-56.74	279.10	0.10	-56.64
COC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629671	1	34	-1.0	-56.77	279.03	0.09	-56.68
CCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629672	0	34	-1.0	-56.30	279.11	0.91	-55.39
CCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629672	1	34	-1.0	-56.30	279.05	0.88	-55.42
O=C(C=CC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629673	0	38	-1.0	-53.00	298.24	2.97	-50.03
O=C(C=CC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629673	1	38	-1.0	-53.02	298.31	3.00	-50.02
O=C(C1CCC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629674	0	33	-1.0	-53.56	263.54	0.46	-53.10
O=C(C1CCC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629674	1	33	-1.0	-53.54	263.61	0.47	-53.07
COCC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629676	0	38	-1.0	-50.27	304.42	0.79	-49.48
COCC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629676	1	38	-1.0	-50.24	304.53	0.80	-49.44
CN1C=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629677	0	34	-1.0	-60.70	281.75	0.45	-60.25
CN1C=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629677	1	34	-1.0	-60.72	281.82	0.47	-60.25
C=CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629678	0	34	-1.0	-48.40	287.65	-0.06	-48.46
C=CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629678	1	34	-1.0	-48.41	287.58	-0.07	-48.48
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629679	0	43	-1.0	-53.49	328.69	3.57	-49.92
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629679	1	43	-1.0	-53.47	328.76	3.58	-49.89
CC1=NOC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629680	0	30	-1.0	-52.72	250.69	-0.18	-52.90
CC1=NOC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629680	1	30	-1.0	-52.69	250.76	-0.17	-52.86
O=C(C1CS(=O)(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629681	0	31	-1.0	-57.33	262.06	-3.29	-60.62
O=C(C1CS(=O)(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629681	1	31	-1.0	-57.35	262.13	-3.26	-60.61
O=C(C1CCCNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629682	0	35	-1.0	-56.11	275.33	-1.84	-57.95
O=C(C1CCCNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629682	1	35	-1.0	-56.15	275.40	-1.83	-57.98
CN1C(=O)NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629683	0	32	-1.0	-56.61	262.98	-1.74	-58.35
CN1C(=O)NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629683	1	32	-1.0	-56.61	263.05	-1.73	-58.34
CCC=C(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629684	0	31	-1.0	-46.68	255.83	0.97	-45.71
CCC=C(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629684	1	31	-1.0	-46.64	255.90	0.98	-45.66
O=C(CC1CSC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629685	0	32	-1.0	-54.45	267.83	1.36	-53.09
O=C(CC1CSC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629685	1	32	-1.0	-54.43	267.90	1.36	-53.07
COC1=NN(C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629686	0	35	-1.0	-64.98	289.27	-2.63	-67.61
COC1=NN(C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629686	1	35	-1.0	-64.99	289.20	-2.66	-67.65
CSC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629687	0	32	-1.0	-56.99	279.25	0.91	-56.08
CSC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629687	1	32	-1.0	-57.01	279.32	0.93	-56.08
O=C(C1=CC=CC(C2CC2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629689	0	38	-1.0	-56.75	301.22	3.72	-53.03
O=C(C1=CC=CC(C2CC2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629689	1	38	-1.0	-56.78	301.29	3.73	-53.05
COC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629690	0	32	-1.0	-49.55	269.00	0.32	-49.23
COC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629690	1	32	-1.0	-49.57	269.06	0.34	-49.23
CC(C)(C)N1CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629691	0	42	-1.0	-57.20	313.25	-0.71	-57.91
CC(C)(C)N1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629691	1	42	-1.0	-57.21	313.32	-0.70	-57.91
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC=N1	REAL250004629693	0	31	-1.0	-54.78	253.07	0.35	-54.43
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC=N1	REAL250004629693	1	31	-1.0	-54.75	253.14	0.38	-54.37
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC=N1	REAL250004629694	0	34	-1.0	-54.72	272.75	1.08	-53.64
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC=N1	REAL250004629694	1	34	-1.0	-54.74	272.82	1.08	-53.66
COC(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629695	0	32	-1.0	-54.79	254.45	-1.31	-56.10
COC(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629695	1	32	-1.0	-54.76	254.52	-1.30	-56.06
CN1C(Cl)=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629696	0	31	-1.0	-47.56	267.34	0.50	-47.06
CN1C(Cl)=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629696	1	31	-1.0	-47.51	267.27	0.49	-47.02
N#CCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629697	0	34	-1.0	-53.05	283.59	1.74	-51.31
N#CCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629697	1	34	-1.0	-53.07	283.66	1.77	-51.30
CC(=CC1=CC=CO1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629698	0	35	-1.0	-53.25	280.45	1.92	-51.33
CC(=CC1=CC=CO1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629698	1	35	-1.0	-53.25	280.52	1.94	-51.31
O=C(C1=COC(CO)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629699	0	32	-1.0	-58.52	268.12	-2.82	-61.34
O=C(C1=COC(CO)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629699	1	32	-1.0	-58.53	268.19	-2.81	-61.34
O=C(C1CSC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629700	0	29	-1.0	-48.95	245.17	0.49	-48.46
O=C(C1CSC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629700	1	29	-1.0	-48.90	245.24	0.51	-48.39
C[C@H]1CC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629701	0	40	-1.0	-52.92	301.01	2.62	-50.30
C[C@H]1CC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629701	1	40	-1.0	-52.89	301.07	2.62	-50.27
CCC(CO)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629703	0	34	-1.0	-50.43	264.97	-1.90	-52.33
CCC(CO)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629703	1	34	-1.0	-50.44	265.04	-1.90	-52.34
O=C(CNC1=CC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629704	0	35	-1.0	-55.78	287.82	-0.00	-55.78
O=C(CNC1=CC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629704	1	35	-1.0	-55.78	287.89	0.00	-55.78
O=C([C@@H]1C[C@H]1C1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629705	0	38	-1.0	-54.11	298.97	3.15	-50.96
O=C([C@@H]1C[C@H]1C1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629705	1	38	-1.0	-54.13	299.03	3.17	-50.96
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629706	0	39	-1.0	-55.37	289.36	2.77	-52.60
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629706	1	39	-1.0	-55.37	289.44	2.78	-52.59
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004629707	0	37	-1.0	-48.66	297.31	2.60	-46.06
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004629707	1	37	-1.0	-48.65	297.38	2.63	-46.02
CCN1C=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629708	0	37	-1.0	-60.83	303.29	1.30	-59.53
CCN1C=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629708	1	37	-1.0	-60.85	303.35	1.33	-59.52
O=C(N1CCOCC1C1=N[N-]N=N1)[C@]12C[C@H]1COC2	REAL250004629709	0	33	-1.0	-50.70	264.65	-0.51	-51.21
O=C(N1CCOCC1C1=NN=N[N-]1)[C@]12C[C@H]1COC2	REAL250004629709	1	33	-1.0	-50.70	264.71	-0.50	-51.20
CCC1=NOC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629710	0	33	-1.0	-51.62	273.57	0.59	-51.03
CCC1=NOC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629710	1	33	-1.0	-51.59	273.81	0.61	-50.98
CCC(C#N)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629711	0	31	-1.0	-48.29	257.28	0.32	-47.97
CCC(C#N)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629711	1	31	-1.0	-48.32	257.34	0.32	-48.00
O=C(C1CC1C1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629712	0	41	-1.0	-54.30	308.21	3.41	-50.89
O=C(C1CC1C1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629712	1	41	-1.0	-54.31	308.29	3.44	-50.87
CSCC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629713	0	38	-1.0	-49.41	314.12	2.90	-46.51
CSCC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629713	1	38	-1.0	-49.40	314.19	2.92	-46.48
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)(C)C	REAL250004629714	0	40	-1.0	-50.94	302.12	2.76	-48.18
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)(C)C	REAL250004629714	1	40	-1.0	-50.92	302.17	2.76	-48.16
CN1C=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629715	0	34	-1.0	-54.72	289.21	-0.19	-54.91
CN1C=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629715	1	34	-1.0	-54.66	289.27	-0.18	-54.84
CNC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004629716	0	32	-1.0	-53.02	277.19	-0.48	-53.50
CNC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004629716	1	32	-1.0	-53.03	277.12	-0.50	-53.53
O=C(C1CC2(CC2(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629717	0	35	-1.0	-50.88	291.53	2.46	-48.42
O=C(C1CC2(CC2(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629717	1	35	-1.0	-50.90	291.59	2.48	-48.42
CC(C)(O)C(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629718	0	35	-1.0	-52.25	264.24	-3.95	-56.20
CC(C)(O)C(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629718	1	35	-1.0	-52.23	264.30	-3.93	-56.16
CCC(O)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629719	0	37	-1.0	-56.73	282.07	-0.67	-57.40
CCC(O)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629719	1	37	-1.0	-56.72	282.13	-0.66	-57.38
CCC1=CNC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629720	0	37	-1.0	-62.28	301.65	0.75	-61.53
CCC1=CNC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629720	1	37	-1.0	-62.31	301.72	0.77	-61.54
O=C(C1CC2CC2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629721	0	35	-1.0	-53.23	269.98	2.24	-50.99
O=C(C1CC2CC2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629721	1	35	-1.0	-53.26	270.04	2.25	-51.01
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004629722	0	35	-1.0	-50.01	288.02	2.12	-47.89
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004629722	1	35	-1.0	-50.04	288.07	2.14	-47.90
CC=CC(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629723	0	32	-1.0	-51.76	259.96	-1.48	-53.24
CC=CC(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629723	1	32	-1.0	-51.74	260.03	-1.48	-53.22
CC1=CC=NC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629724	0	36	-1.0	-54.02	292.00	1.42	-52.60
CC1=CC=NC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629724	1	36	-1.0	-54.03	292.07	1.45	-52.58
O=C(C1=CC=NN1C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629725	0	31	-1.0	-51.88	263.63	-0.48	-52.36
O=C(C1=CC=NN1C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629725	1	31	-1.0	-51.89	263.56	-0.47	-52.36
O=C(C1CCCC2CC21)N1CCOCC1C1=N[N-]N=N1	REAL250004629726	0	38	-1.0	-54.65	284.95	2.54	-52.11
O=C(C1CCCC2CC21)N1CCOCC1C1=NN=N[N-]1	REAL250004629726	1	38	-1.0	-54.62	285.01	2.55	-52.07
O=C(C1=CC=C(CF)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629727	0	34	-1.0	-54.38	280.76	2.38	-52.00
O=C(C1=CC=C(CF)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629727	1	34	-1.0	-54.37	280.83	2.39	-51.98
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCOC1	REAL250004629728	0	39	-1.0	-55.45	300.08	-0.84	-56.29
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCOC1	REAL250004629728	1	39	-1.0	-55.50	300.14	-0.83	-56.33
O=C(CCC1CC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629729	0	34	-1.0	-53.22	285.23	2.14	-51.08
O=C(CCC1CC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629729	1	34	-1.0	-53.23	285.30	2.16	-51.07
COCCCOCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629730	0	41	-1.0	-50.39	330.44	-0.41	-50.80
COCCCOCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629730	1	41	-1.0	-50.38	330.51	-0.39	-50.77
CC1=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)OC=C1	REAL250004629731	0	34	-1.0	-55.08	281.01	1.44	-53.64
CC1=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)OC=C1	REAL250004629731	1	34	-1.0	-55.07	281.08	1.46	-53.61
O=C(C1=CN=C2CCCN12)N1CCOCC1C1=N[N-]N=N1	REAL250004629732	0	35	-1.0	-55.12	280.14	1.11	-54.01
O=C(C1=CN=C2CCCN12)N1CCOCC1C1=NN=N[N-]1	REAL250004629732	1	35	-1.0	-55.10	280.21	1.11	-53.99
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(N)=N1	REAL250004629733	0	34	-1.0	-46.20	279.26	-1.37	-47.57
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(N)=N1	REAL250004629733	1	34	-1.0	-46.21	279.32	-1.36	-47.57
O=C(C1=CC=C(C2CC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629735	0	38	-1.0	-54.68	301.98	3.67	-51.01
O=C(C1=CC=C(C2CC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629735	1	38	-1.0	-54.71	302.05	3.68	-51.03
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCC1	REAL250004629736	0	41	-1.0	-55.35	311.77	2.21	-53.14
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCC1	REAL250004629736	1	41	-1.0	-55.37	311.83	2.21	-53.16
CC(CC1=CC=CO1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629737	0	37	-1.0	-51.67	295.51	1.94	-49.73
CC(CC1=CC=CO1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629737	1	37	-1.0	-51.70	295.58	1.95	-49.75
CC1(C)CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629738	0	37	-1.0	-52.72	279.28	1.65	-51.07
CC1(C)CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629738	1	37	-1.0	-52.70	279.34	1.67	-51.03
CC[C@@H]1CCO[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629739	0	38	-1.0	-58.68	284.30	1.25	-57.43
CC[C@@H]1CCO[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629739	1	38	-1.0	-58.66	284.36	1.25	-57.41
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCO1	REAL250004629740	0	41	-1.0	-50.85	309.70	1.30	-49.55
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCO1	REAL250004629740	1	41	-1.0	-50.87	309.76	1.33	-49.54
O=C(C1=CN(C2CC2)N=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629741	0	34	-1.0	-48.53	282.34	0.24	-48.29
O=C(C1=CN(C2CC2)N=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629741	1	34	-1.0	-48.55	282.28	0.23	-48.32
O=C(COCC(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629742	0	31	-1.0	-63.55	267.73	0.19	-63.36
O=C(COCC(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629742	1	31	-1.0	-63.52	267.80	0.19	-63.33
COC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629743	0	31	-1.0	-47.93	264.04	-3.04	-50.97
COC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629743	1	31	-1.0	-47.92	263.98	-3.04	-50.96
CCCC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629744	0	34	-1.0	-52.68	274.44	1.95	-50.73
CCCC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629744	1	34	-1.0	-52.70	274.49	1.96	-50.74
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629745	0	41	-1.0	-50.30	320.71	1.43	-48.87
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629745	1	41	-1.0	-50.30	320.78	1.43	-48.87
O=C(C1=NC=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629746	0	30	-1.0	-59.39	256.36	0.72	-58.67
O=C(C1=NC=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629746	1	30	-1.0	-59.43	256.28	0.70	-58.73
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629747	0	30	-1.0	-50.80	253.15	-2.44	-53.24
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629747	1	30	-1.0	-50.85	253.22	-2.43	-53.28
CC1=COC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629748	0	31	-1.0	-56.19	254.35	0.40	-55.79
CC1=COC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629748	1	31	-1.0	-56.16	254.42	0.43	-55.73
COCC(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629749	0	35	-1.0	-53.32	282.66	-1.30	-54.62
COCC(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629749	1	35	-1.0	-53.28	282.73	-1.30	-54.58
CN1CCC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629750	1	36	-1.0	-54.99	279.49	-1.08	-56.07
CN1CCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629750	1	36	-1.0	-54.99	279.56	-1.06	-56.05
CN1CCC[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629751	1	36	-1.0	-55.43	278.11	-0.94	-56.37
CN1CCC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629751	1	36	-1.0	-55.40	278.18	-0.92	-56.32
C[C@H](C(=O)N1CCOCC1C1=N[N-]N=N1)N(C)C	REAL250004629752	1	35	-1.0	-52.88	269.47	-1.56	-54.44
C[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)N(C)C	REAL250004629752	1	35	-1.0	-52.86	269.54	-1.55	-54.41
O=C(C1=CN=C(C2CC2)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629753	0	34	-1.0	-54.46	283.01	-1.18	-55.64
O=C(C1=CN=C(C2CC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629753	1	34	-1.0	-54.46	283.08	-1.17	-55.63
CC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)O1	REAL250004629755	0	33	-1.0	-60.83	284.00	-2.54	-63.37
CC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)O1	REAL250004629755	1	33	-1.0	-60.84	284.07	-2.52	-63.36
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CO1	REAL250004629756	0	37	-1.0	-49.99	298.97	2.15	-47.84
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CO1	REAL250004629756	1	37	-1.0	-49.96	299.04	2.15	-47.81
CCCC(OCC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629757	0	40	-1.0	-54.69	312.44	1.88	-52.81
CCCC(OCC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629757	1	40	-1.0	-54.65	312.51	1.89	-52.76
COC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629758	0	35	-1.0	-57.60	279.82	-0.11	-57.71
COC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629758	1	35	-1.0	-57.57	279.88	-0.11	-57.68
CCOC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629759	0	38	-1.0	-55.92	295.32	1.85	-54.07
CCOC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629759	1	38	-1.0	-55.90	295.38	1.85	-54.05
O=C(C=CC1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629760	0	32	-1.0	-52.75	278.71	2.35	-50.40
O=C(C=CC1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629760	1	32	-1.0	-52.72	278.77	2.36	-50.36
O=C(C1=CN(C2CC2)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629761	0	35	-1.0	-52.57	286.14	0.89	-51.68
O=C(C1=CN(C2CC2)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629761	1	35	-1.0	-52.60	286.08	0.89	-51.71
O=C([C@@H]1COC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629762	0	30	-1.0	-59.48	251.29	-3.81	-63.29
O=C([C@@H]1COC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629762	1	30	-1.0	-59.46	251.36	-3.79	-63.25
O=C(CC1=CSC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629763	0	30	-1.0	-56.49	263.21	-0.15	-56.64
O=C(CC1=CSC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629763	1	30	-1.0	-56.48	263.27	-0.13	-56.61
O=C(C1CCCC2(CC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629764	0	41	-1.0	-53.49	308.99	3.27	-50.22
O=C(C1CCCC2(CC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629764	1	41	-1.0	-53.54	309.05	3.29	-50.25
CCCN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629765	0	37	-1.0	-50.41	295.45	1.03	-49.38
CCCN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629765	1	37	-1.0	-50.39	295.38	1.02	-49.37
CC1=CN=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629766	0	34	-1.0	-56.88	282.07	2.17	-54.71
CC1=CN=CN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629766	1	34	-1.0	-56.90	282.00	2.16	-54.74
CN1N=CC(Cl)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629767	0	31	-1.0	-48.92	278.16	0.21	-48.71
CN1N=CC(Cl)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629767	1	31	-1.0	-48.86	278.10	0.20	-48.66
CCC(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629768	0	30	-1.0	-43.72	248.71	0.67	-43.05
CCC(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629768	1	30	-1.0	-43.73	248.77	0.68	-43.05
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCC1	REAL250004629769	0	38	-1.0	-55.89	293.68	1.30	-54.59
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC1	REAL250004629769	1	38	-1.0	-55.89	293.75	1.30	-54.59
CCCCC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004629770	0	45	-1.0	-52.81	326.33	3.60	-49.21
CCCCC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004629770	1	45	-1.0	-52.82	326.38	3.61	-49.21
CCN1C=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629771	0	34	-1.0	-55.59	278.81	2.84	-52.75
CCN1C=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629771	1	34	-1.0	-55.61	278.75	2.83	-52.78
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCOCC1C1=N[N-]N=N1	REAL250004629772	0	33	-1.0	-50.45	265.39	-0.26	-50.71
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCOCC1C1=NN=N[N-]1	REAL250004629772	1	33	-1.0	-50.43	265.44	-0.25	-50.68
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629773	0	35	-1.0	-53.60	272.54	2.22	-51.38
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629773	1	35	-1.0	-53.60	272.60	2.25	-51.35
O=C(C1CCC2(CC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629774	0	41	-1.0	-52.95	310.10	3.23	-49.72
O=C(C1CCC2(CC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629774	1	41	-1.0	-52.94	310.16	3.24	-49.70
CN1C=C(Cl)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629775	0	31	-1.0	-56.53	273.08	0.52	-56.01
CN1C=C(Cl)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629775	1	31	-1.0	-56.56	273.01	0.50	-56.06
O=C(C1=C(Cl)SC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629776	0	28	-1.0	-55.09	257.71	1.15	-53.94
O=C(C1=C(Cl)SC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629776	1	28	-1.0	-55.12	257.78	1.18	-53.94
CC1=NC=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629777	0	32	-1.0	-52.32	268.80	-1.21	-53.53
CC1=NC=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629777	1	32	-1.0	-52.32	268.85	-1.21	-53.53
O=C(C1CC2(CC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629778	0	35	-1.0	-52.83	277.59	2.30	-50.53
O=C(C1CC2(CC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629778	1	35	-1.0	-52.88	277.66	2.31	-50.57
CN1C=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629779	0	36	-1.0	-55.30	298.33	-0.06	-55.36
CN1C=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629779	1	36	-1.0	-55.27	298.40	-0.06	-55.33
O=C(C1=CC(Cl)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629780	0	27	-1.0	-42.94	248.01	-0.37	-43.31
O=C(C1=CC(Cl)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629780	1	27	-1.0	-42.94	247.94	-0.40	-43.34
O=C([C@H]1COC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629781	0	30	-1.0	-59.44	251.22	-3.81	-63.25
O=C([C@H]1COC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629781	1	30	-1.0	-59.43	251.29	-3.79	-63.22
CN1C(=O)NCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629782	0	34	-1.0	-59.85	275.17	-2.71	-62.56
CN1C(=O)NCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629782	1	34	-1.0	-59.89	275.25	-2.70	-62.59
C[C@@H](C(=O)N1CCOCC1C1=N[N-]N=N1)N(C)C	REAL250004629783	1	35	-1.0	-52.41	269.71	-1.46	-53.87
C[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)N(C)C	REAL250004629783	1	35	-1.0	-52.45	269.77	-1.45	-53.90
CCC(C)(C)C(=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629784	0	38	-1.0	-43.36	288.84	1.01	-42.35
CCC(C)(C)C(=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629784	1	38	-1.0	-43.32	288.91	1.02	-42.30
O=C([C@H]1C[C@@H](O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629785	0	32	-1.0	-58.32	256.43	-2.53	-60.85
O=C([C@H]1C[C@@H](O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629785	1	32	-1.0	-58.34	256.49	-2.51	-60.85
CC1CN(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629786	0	40	-1.0	-56.00	306.79	-1.19	-57.19
CC1CN(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629786	1	40	-1.0	-56.01	306.86	-1.17	-57.18
O=C(C=CCN1C=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629788	0	34	-1.0	-61.27	289.06	2.74	-58.53
O=C(C=CCN1C=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629788	1	34	-1.0	-61.28	288.99	2.71	-58.57
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629789	0	35	-1.0	-63.26	288.65	1.60	-61.66
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629789	1	35	-1.0	-63.23	288.72	1.62	-61.61
CC1=CC=NN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629790	0	34	-1.0	-57.54	280.82	0.47	-57.07
CC1=CC=NN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629790	1	34	-1.0	-57.51	280.89	0.49	-57.02
CC(Cl)=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629791	0	28	-1.0	-52.99	244.26	0.92	-52.07
CC(Cl)=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629791	1	28	-1.0	-52.99	244.31	0.93	-52.06
CC1=C(CO)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629792	0	35	-1.0	-57.91	289.65	-1.70	-59.61
CC1=C(CO)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629792	1	35	-1.0	-57.94	289.70	-1.69	-59.63
CN1C=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC1=O	REAL250004629794	0	33	-1.0	-64.38	274.58	1.04	-63.34
CN1C=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC1=O	REAL250004629794	1	33	-1.0	-64.38	274.51	1.03	-63.35
CN1CCOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004629795	0	36	-1.0	-56.36	282.62	-1.17	-57.53
CN1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004629795	1	36	-1.0	-56.35	282.70	-1.17	-57.52
CC1=C(C)NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629797	0	34	-1.0	-49.96	276.19	0.46	-49.50
CC1=C(C)NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629797	1	34	-1.0	-49.97	276.25	0.47	-49.50
CC1=NN=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629798	0	35	-1.0	-52.50	293.65	-3.61	-56.11
CC1=NN=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629798	1	35	-1.0	-52.48	293.72	-3.61	-56.09
O=C(C1=NN=C(C2CC2)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629799	0	33	-1.0	-48.87	279.38	-2.66	-51.53
O=C(C1=NN=C(C2CC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629799	1	33	-1.0	-48.86	279.44	-2.63	-51.49
O=C(C1=CC(F)=CNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629800	0	31	-1.0	-59.73	260.46	-1.22	-60.95
O=C(C1=CC(F)=CNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629800	1	31	-1.0	-59.74	260.55	-1.22	-60.96
C#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL250004629801	0	33	-1.0	-54.62	280.10	2.77	-51.85
C#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL250004629801	1	33	-1.0	-54.58	280.03	2.76	-51.82
N#CC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CCOC1	REAL250004629802	0	33	-1.0	-45.03	266.42	-1.37	-46.40
N#CC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CCOC1	REAL250004629802	1	33	-1.0	-45.06	266.49	-1.36	-46.42
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CN=CC=N1	REAL250004629803	0	35	-1.0	-54.50	285.14	-0.77	-55.27
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CN=CC=N1	REAL250004629803	1	35	-1.0	-54.51	285.22	-0.77	-55.28
O=C(CCOC1COC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629804	0	36	-1.0	-49.92	293.46	-1.71	-51.63
O=C(CCOC1COC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629804	1	36	-1.0	-49.97	293.53	-1.70	-51.67
O=C(C1=CSC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004629805	0	28	-1.0	-55.74	258.03	1.12	-54.62
O=C(C1=CSC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004629805	1	28	-1.0	-55.77	258.09	1.14	-54.63
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)(C)C	REAL250004629806	0	45	-1.0	-51.80	318.95	2.99	-48.81
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)(C)C	REAL250004629806	1	45	-1.0	-51.77	319.01	3.01	-48.76
O=C(C1=CC=C(C(F)F)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629807	0	31	-1.0	-49.33	271.09	1.12	-48.21
O=C(C1=CC=C(C(F)F)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629807	1	31	-1.0	-49.34	271.14	1.14	-48.20
NC(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629808	0	31	-1.0	-49.25	257.42	-3.49	-52.74
NC(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629808	1	31	-1.0	-49.22	257.49	-3.47	-52.69
O=C(C1=CC(=O)N=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629809	0	30	-1.0	-50.02	253.27	-2.34	-52.36
O=C(C1=CC(=O)N=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629809	1	30	-1.0	-50.01	253.33	-2.31	-52.32
O=C(CN1CCOC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629810	0	33	-1.0	-63.83	275.33	-0.59	-64.42
O=C(CN1CCOC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629810	1	33	-1.0	-63.83	275.39	-0.57	-64.40
O=C(CCCN1C=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629811	0	36	-1.0	-63.48	298.86	2.88	-60.60
O=C(CCCN1C=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629811	1	36	-1.0	-63.47	298.79	2.87	-60.60
O=C(CN1CCNC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629812	0	37	-1.0	-63.42	291.97	-3.98	-67.40
O=C(CN1CCNC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629812	1	37	-1.0	-63.40	292.04	-3.96	-67.36
CCCC=CC(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629813	0	38	-1.0	-51.36	302.51	0.06	-51.30
CCCC=CC(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629813	1	38	-1.0	-51.34	302.59	0.07	-51.27
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(Cl)=NN1	REAL250004629814	0	31	-1.0	-52.00	277.88	-0.71	-52.71
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(Cl)=NN1	REAL250004629814	1	31	-1.0	-52.01	277.95	-0.69	-52.70
CC1=NC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629815	0	33	-1.0	-57.66	277.11	-1.72	-59.38
CC1=NC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629815	1	33	-1.0	-57.62	277.18	-1.70	-59.32
O=C(CC1=CON=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629816	0	30	-1.0	-54.56	254.75	0.09	-54.47
O=C(CC1=CON=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629816	1	30	-1.0	-54.57	254.68	0.07	-54.50
O=CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629817	0	30	-1.0	-53.88	269.44	0.48	-53.40
O=CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629817	1	30	-1.0	-53.90	269.51	0.48	-53.42
O=C(C1=NC=CN=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004629819	0	29	-1.0	-55.56	256.76	-0.69	-56.25
O=C(C1=NC=CN=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004629819	1	29	-1.0	-55.57	256.69	-0.68	-56.25
CN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N(C)C1=O	REAL250004629820	0	35	-1.0	-57.50	285.10	0.33	-57.17
CN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N(C)C1=O	REAL250004629820	1	35	-1.0	-57.51	285.16	0.34	-57.17
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1C	REAL250004629821	0	34	-1.0	-51.29	272.99	0.54	-50.75
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1C	REAL250004629821	1	34	-1.0	-51.26	273.06	0.54	-50.72
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629822	0	32	-1.0	-64.85	266.67	-2.96	-67.81
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629822	1	32	-1.0	-64.87	266.72	-2.94	-67.81
CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629825	0	38	-1.0	-65.96	296.69	1.35	-64.61
CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629825	1	38	-1.0	-65.96	296.74	1.35	-64.61
CN(C)C(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629826	0	37	-1.0	-49.05	297.12	-0.05	-49.10
CN(C)C(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629826	1	37	-1.0	-49.07	297.19	-0.03	-49.10
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004629827	0	35	-1.0	-51.87	291.80	2.21	-49.66
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004629827	1	35	-1.0	-51.89	291.87	2.22	-49.67
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004629828	0	36	-1.0	-74.77	289.94	-2.41	-77.18
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629828	1	36	-1.0	-74.79	290.01	-2.39	-77.18
O=C(C1=CN(C2CC2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629829	0	35	-1.0	-54.61	286.24	3.30	-51.31
O=C(C1=CN(C2CC2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629829	1	35	-1.0	-54.54	286.18	3.28	-51.26
CCC(NC(C)=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629830	0	37	-1.0	-47.00	288.50	-1.40	-48.40
CCC(NC(C)=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629830	1	37	-1.0	-47.02	288.54	-1.38	-48.40
O=C([C@H]1CCC(=O)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629831	0	31	-1.0	-64.60	255.31	0.71	-63.89
O=C([C@H]1CCC(=O)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629831	1	31	-1.0	-64.57	255.38	0.72	-63.85
CN1C(=O)OCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629832	0	33	-1.0	-59.22	268.59	-1.23	-60.45
CN1C(=O)OCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629832	1	33	-1.0	-59.22	268.67	-1.22	-60.44
O=C(C1=NC=C2C=CC=CN21)N1CCOCC1C1=NN=N[N-]1	REAL250004629833	0	34	-1.0	-56.69	279.69	2.97	-53.72
O=C(C1=NC=C2C=CC=CN21)N1CCOCC1C1=N[N-]N=N1	REAL250004629833	1	34	-1.0	-56.67	279.63	2.96	-53.71
CC1=CC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629834	0	34	-1.0	-52.30	285.91	2.08	-50.22
CC1=CC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629834	1	34	-1.0	-52.28	285.98	2.09	-50.19
CC1OC(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1C	REAL250004629835	0	41	-1.0	-52.96	300.00	0.91	-52.05
CC1OC(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1C	REAL250004629835	1	41	-1.0	-53.02	300.07	0.91	-52.11
O=C(C1=COC(C(F)F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629836	0	31	-1.0	-58.84	269.85	0.81	-58.03
O=C(C1=COC(C(F)F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629836	1	31	-1.0	-58.79	269.92	0.81	-57.98
O=C(C1CC(C2CC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629837	0	38	-1.0	-55.03	298.36	3.08	-51.95
O=C(C1CC(C2CC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629837	1	38	-1.0	-55.01	298.42	3.11	-51.90
O=C(CC1=CN=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629838	0	31	-1.0	-57.05	259.07	0.16	-56.89
O=C(CC1=CN=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629838	1	31	-1.0	-57.07	259.14	0.17	-56.90
CC(=C(F)C(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004629839	0	35	-1.0	-51.02	287.49	2.37	-48.65
CC(=C(F)C(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629839	1	35	-1.0	-51.04	287.55	2.38	-48.66
O=C([C@@H]1CCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629840	0	32	-1.0	-59.50	260.27	-2.55	-62.05
O=C([C@@H]1CCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629840	1	32	-1.0	-59.49	260.34	-2.53	-62.02
CC1C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1C1CC1	REAL250004629841	0	38	-1.0	-52.69	294.85	3.19	-49.50
CC1C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1C1CC1	REAL250004629841	1	38	-1.0	-52.64	294.89	3.19	-49.45
O=C(C1CCCC12CC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629842	0	38	-1.0	-53.03	287.95	2.91	-50.12
O=C(C1CCCC12CC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629842	1	38	-1.0	-53.08	287.99	2.95	-50.13
CC(=O)N1CCC[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629843	0	38	-1.0	-64.55	300.20	0.30	-64.25
CC(=O)N1CCC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629843	1	38	-1.0	-64.53	300.27	0.31	-64.22
O=C(C1=CC=CN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629844	0	29	-1.0	-50.88	245.27	-0.76	-51.64
O=C(C1=CC=CN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629844	1	29	-1.0	-50.89	245.20	-0.77	-51.66
COC1=CC=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629845	0	34	-1.0	-59.04	279.36	0.83	-58.21
COC1=CC=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629845	1	34	-1.0	-59.03	279.28	0.82	-58.21
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)O1	REAL250004629846	0	38	-1.0	-54.77	283.32	0.20	-54.57
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)O1	REAL250004629846	1	38	-1.0	-54.76	283.38	0.21	-54.55
O=C(C1CC2CC1C1CC12)N1CCOCC1C1=N[N-]N=N1	REAL250004629847	0	39	-1.0	-53.99	286.37	2.91	-51.08
O=C(C1CC2CC1C1CC12)N1CCOCC1C1=NN=N[N-]1	REAL250004629847	1	39	-1.0	-54.00	286.44	2.91	-51.09
CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=N1	REAL250004629848	0	37	-1.0	-57.31	297.72	0.83	-56.48
CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=N1	REAL250004629848	1	37	-1.0	-57.36	297.79	0.86	-56.50
N#CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629849	0	34	-1.0	-54.59	295.59	1.21	-53.38
N#CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629849	1	34	-1.0	-54.57	295.52	1.19	-53.38
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C(C)(C)C	REAL250004629850	0	45	-1.0	-52.18	312.37	2.64	-49.54
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C(C)(C)C	REAL250004629850	1	45	-1.0	-52.25	312.42	2.64	-49.61
COCC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629851	0	32	-1.0	-55.69	265.20	-0.55	-56.24
COCC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629851	1	32	-1.0	-55.66	265.26	-0.54	-56.20
CC1=CN=C(F)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629852	0	33	-1.0	-61.85	274.27	0.45	-61.40
CC1=CN=C(F)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629852	1	33	-1.0	-61.85	274.19	0.42	-61.43
CC1=CC(F)=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629853	0	33	-1.0	-46.54	275.67	0.45	-46.09
CC1=CC(F)=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629853	1	33	-1.0	-46.55	275.72	0.45	-46.10
COC1=NSC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629854	0	31	-1.0	-57.72	269.10	-1.82	-59.54
COC1=NSC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629854	1	31	-1.0	-57.69	269.03	-1.85	-59.54
N#CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004629855	0	29	-1.0	-53.91	255.57	0.20	-53.71
N#CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004629855	1	29	-1.0	-53.92	255.64	0.22	-53.70
O=C(C1=CN(C(F)F)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629856	0	31	-1.0	-52.86	268.99	-0.52	-53.38
O=C(C1=CN(C(F)F)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629856	1	31	-1.0	-52.88	268.93	-0.52	-53.40
CCOCCCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629857	0	43	-1.0	-55.27	339.76	2.04	-53.23
CCOCCCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629857	1	43	-1.0	-55.28	339.83	2.07	-53.21
NC1=CC=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629858	0	32	-1.0	-52.81	267.74	-2.00	-54.81
NC1=CC=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629858	1	32	-1.0	-52.79	267.69	-2.01	-54.80
CC1=CON=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629859	0	30	-1.0	-51.11	249.91	0.18	-50.93
CC1=CON=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629859	1	30	-1.0	-51.10	249.84	0.16	-50.94
CC1CC1C1CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629860	0	38	-1.0	-54.12	301.68	3.27	-50.85
CC1CC1C1CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629860	1	38	-1.0	-54.14	301.74	3.28	-50.86
CCN1N=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL250004629861	0	37	-1.0	-51.66	296.14	0.72	-50.94
CCN1N=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL250004629861	1	37	-1.0	-51.68	296.20	0.74	-50.94
CC1(C#CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629862	0	33	-1.0	-53.42	280.41	2.39	-51.03
CC1(C#CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629862	1	33	-1.0	-53.49	280.48	2.42	-51.07
CN1CCCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629863	0	39	-1.0	-52.92	292.04	-0.40	-53.32
CN1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629863	1	39	-1.0	-52.91	292.11	-0.40	-53.31
O=C(C1CC2(CSC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629864	0	36	-1.0	-54.08	295.07	2.31	-51.77
O=C(C1CC2(CSC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629864	1	36	-1.0	-54.08	295.14	2.32	-51.76
CC1(CCCC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629865	0	36	-1.0	-60.05	295.27	-2.93	-62.98
CC1(CCCC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629865	1	36	-1.0	-60.06	295.33	-2.91	-62.97
C=CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004629866	0	38	-1.0	-54.29	305.23	3.62	-50.67
C=CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004629866	1	38	-1.0	-54.29	305.29	3.64	-50.65
CN(C)C(=O)C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629867	0	35	-1.0	-49.73	287.54	-0.15	-49.88
CN(C)C(=O)C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629867	1	35	-1.0	-49.73	287.59	-0.14	-49.87
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCOCC1C1=N[N-]N=N1	REAL250004629868	0	39	-1.0	-60.11	288.50	1.30	-58.81
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCOCC1C1=NN=N[N-]1	REAL250004629868	1	39	-1.0	-60.10	288.56	1.33	-58.77
CNC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004629869	0	35	-1.0	-55.17	284.34	-0.43	-55.60
CNC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004629869	1	35	-1.0	-55.22	284.27	-0.43	-55.65
CN1CCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004629870	0	38	-1.0	-70.08	300.83	1.41	-68.67
CN1CCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004629870	1	38	-1.0	-70.11	300.90	1.43	-68.68
O=C(CC1=CC=C(F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629871	0	33	-1.0	-57.58	279.58	1.13	-56.45
O=C(CC1=CC=C(F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629871	1	33	-1.0	-57.62	279.65	1.16	-56.46
NC1=CC(F)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629872	0	33	-1.0	-46.74	273.95	-0.16	-46.90
NC1=CC(F)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629872	1	33	-1.0	-46.74	274.01	-0.16	-46.90
O=C(C1=CC=CN2N=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL250004629873	0	34	-1.0	-55.52	287.55	1.67	-53.85
O=C(C1=CC=CN2N=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL250004629873	1	34	-1.0	-55.52	287.48	1.64	-53.88
O=C(CO)NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629874	0	35	-1.0	-69.62	291.31	-4.11	-73.73
O=C(CO)NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629874	1	35	-1.0	-69.64	291.37	-4.08	-73.72
O=C(CC1CCNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629875	0	35	-1.0	-68.65	278.57	-0.78	-69.43
O=C(CC1CCNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629875	1	35	-1.0	-68.68	278.64	-0.77	-69.45
O=C(C1=CN=C2C=CNC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629876	0	34	-1.0	-54.99	278.91	-0.38	-55.37
O=C(C1=CN=C2C=CNC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629876	1	34	-1.0	-55.03	278.84	-0.39	-55.42
NC1=NN=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004629877	0	31	-1.0	-57.87	275.12	-2.08	-59.95
NC1=NN=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004629877	1	31	-1.0	-57.84	275.19	-2.07	-59.91
NC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=N1	REAL250004629878	0	32	-1.0	-53.74	262.22	-1.39	-55.13
NC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=N1	REAL250004629878	1	32	-1.0	-53.74	262.29	-1.37	-55.11
CCCC(CC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629879	0	39	-1.0	-52.30	297.00	2.39	-49.91
CCCC(CC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629879	1	39	-1.0	-52.33	297.05	2.41	-49.92
O=C(C1C2(CC2)C12CC2)N1CCOCC1C1=N[N-]N=N1	REAL250004629880	0	36	-1.0	-53.47	294.96	3.34	-50.13
O=C(C1C2(CC2)C12CC2)N1CCOCC1C1=NN=N[N-]1	REAL250004629880	1	36	-1.0	-53.46	295.03	3.35	-50.11
O=C(C1CCC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629881	0	38	-1.0	-52.91	285.50	2.47	-50.44
O=C(C1CCC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629881	1	38	-1.0	-52.92	285.54	2.49	-50.43
CCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL250004629882	0	38	-1.0	-56.58	298.54	2.64	-53.94
CCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL250004629882	1	38	-1.0	-56.53	298.61	2.65	-53.88
CC1=COC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629883	0	31	-1.0	-52.61	257.93	0.70	-51.91
CC1=COC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629883	1	31	-1.0	-52.65	257.98	0.72	-51.93
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629884	0	37	-1.0	-62.07	295.61	1.51	-60.56
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629884	1	37	-1.0	-62.07	295.65	1.53	-60.54
O=C(C=CC1=CSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629885	0	32	-1.0	-53.74	278.91	2.10	-51.64
O=C(C=CC1=CSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629885	1	32	-1.0	-53.70	278.97	2.13	-51.57
CCC1=NN(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629886	0	37	-1.0	-50.05	296.03	0.78	-49.27
CCC1=NN(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629886	1	37	-1.0	-50.06	296.09	0.79	-49.27
NC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629887	0	32	-1.0	-54.74	264.26	-1.37	-56.11
NC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629887	1	32	-1.0	-54.73	264.33	-1.36	-56.09
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629888	0	38	-1.0	-53.63	304.75	3.47	-50.16
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629888	1	38	-1.0	-53.63	304.82	3.48	-50.15
C=CC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629889	0	37	-1.0	-49.53	281.59	1.97	-47.56
C=CC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629889	1	37	-1.0	-49.57	281.66	2.00	-47.57
O=C(COC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629890	0	32	-1.0	-57.73	265.02	0.66	-57.07
O=C(COC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629890	1	32	-1.0	-57.74	265.09	0.66	-57.08
O=C(COC1=CC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629891	0	34	-1.0	-56.91	286.63	-0.12	-57.03
O=C(COC1=CC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629891	1	34	-1.0	-56.93	286.56	-0.12	-57.05
O=C(C1=CC(=O)C=CN1)N1CCOCC1C1=N[N-]N=N1	REAL250004629892	0	31	-1.0	-65.72	258.21	-0.15	-65.87
O=C(C1=CC(=O)C=CN1)N1CCOCC1C1=NN=N[N-]1	REAL250004629892	1	31	-1.0	-65.71	258.29	-0.14	-65.85
O=C(C1=CSN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629893	0	27	-1.0	-49.04	237.68	-0.80	-49.84
O=C(C1=CSN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629893	1	27	-1.0	-49.04	237.62	-0.82	-49.86
CC1=CN(C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629894	0	35	-1.0	-61.02	281.88	1.92	-59.10
CC1=CN(C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629894	1	35	-1.0	-61.01	281.94	1.94	-59.07
COC1=NC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629895	0	33	-1.0	-48.15	276.59	-2.29	-50.44
COC1=NC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629895	1	33	-1.0	-48.13	276.53	-2.29	-50.42
O=C(C1=CC=C(F)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004629896	0	28	-1.0	-45.54	242.45	0.12	-45.42
O=C(C1=CC=C(F)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004629896	1	28	-1.0	-45.47	242.51	0.13	-45.34
CC1COC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629897	0	35	-1.0	-57.80	273.52	0.60	-57.20
CC1COC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629897	1	35	-1.0	-57.83	273.59	0.60	-57.23
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629898	0	39	-1.0	-52.51	301.62	1.33	-51.18
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629898	1	39	-1.0	-52.54	301.69	1.34	-51.20
O=C(C1=CC=CC(O)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629899	0	32	-1.0	-63.64	268.70	-1.19	-64.83
O=C(C1=CC=CC(O)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629899	1	32	-1.0	-63.63	268.77	-1.16	-64.79
O=C(C1CCC(Cl)CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629900	0	37	-1.0	-57.09	292.63	2.48	-54.61
O=C(C1CCC(Cl)CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629900	1	37	-1.0	-57.11	292.66	2.49	-54.62
O=C(C1=CS(=O)CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629901	0	34	-1.0	-64.31	278.91	-1.22	-65.53
O=C(C1=CS(=O)CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629901	1	34	-1.0	-64.33	278.98	-1.22	-65.55
CN1C(=O)CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629902	0	38	-1.0	-58.46	294.22	0.08	-58.38
CN1C(=O)CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629902	1	38	-1.0	-58.45	294.30	0.09	-58.36
CCN1CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629903	0	36	-1.0	-56.51	283.76	-1.67	-58.18
CCN1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629903	1	36	-1.0	-56.53	283.81	-1.66	-58.19
O=C(COC1=NSC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629904	0	31	-1.0	-54.36	276.40	-1.10	-55.46
O=C(COC1=NSC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629904	1	31	-1.0	-54.31	276.33	-1.10	-55.41
CCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629905	0	33	-1.0	-49.27	273.70	1.26	-48.01
CCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629905	1	33	-1.0	-49.28	273.75	1.27	-48.01
CC1(C)COC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629906	0	41	-1.0	-57.46	316.47	1.71	-55.75
CC1(C)COC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629906	1	41	-1.0	-57.49	316.54	1.73	-55.76
O=C(CCN1CCC(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629907	1	39	-1.0	-54.76	306.76	-0.20	-54.96
O=C(CCN1CCC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629907	1	39	-1.0	-54.73	306.83	-0.18	-54.91
O=C(C1=CC=NC(CO)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629908	0	34	-1.0	-58.17	277.84	-2.70	-60.87
O=C(C1=CC=NC(CO)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629908	1	34	-1.0	-58.15	277.90	-2.68	-60.83
CC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1O	REAL250004629909	0	34	-1.0	-56.14	280.94	-0.54	-56.68
CC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1O	REAL250004629909	1	34	-1.0	-56.15	281.02	-0.52	-56.67
O=C(CCCCCO)N1CCOCC1C1=N[N-]N=N1	REAL250004629911	0	37	-1.0	-56.37	295.66	-1.33	-57.70
O=C(CCCCCO)N1CCOCC1C1=NN=N[N-]1	REAL250004629911	1	37	-1.0	-56.38	295.72	-1.30	-57.68
CCCCC(O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629912	0	43	-1.0	-50.39	336.81	0.32	-50.07
CCCCC(O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629912	1	43	-1.0	-50.44	336.88	0.34	-50.10
C=C1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629913	0	38	-1.0	-52.62	290.21	2.59	-50.03
C=C1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629913	1	38	-1.0	-52.60	290.28	2.59	-50.01
O=C(C1CCC=CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629914	0	41	-1.0	-51.46	299.65	2.96	-48.50
O=C(C1CCC=CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629914	1	41	-1.0	-51.43	299.72	2.96	-48.47
O=C(C1=CC=NN1C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629915	0	35	-1.0	-51.20	285.11	1.08	-50.12
O=C(C1=CC=NN1C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629915	1	35	-1.0	-51.16	285.04	1.06	-50.10
CC1=CN=C(F)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629916	0	33	-1.0	-46.86	275.75	0.55	-46.31
CC1=CN=C(F)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629916	1	33	-1.0	-46.86	275.70	0.54	-46.32
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCO1	REAL250004629917	0	38	-1.0	-58.41	287.40	1.08	-57.33
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCO1	REAL250004629917	1	38	-1.0	-58.42	287.47	1.09	-57.33
NC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629918	0	31	-1.0	-59.60	266.39	-1.65	-61.25
NC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629918	1	31	-1.0	-59.54	266.32	-1.67	-61.21
O=C(C1=CC=NS1)N1CCOCC1C1=NN=N[N-]1	REAL250004629919	0	27	-1.0	-48.99	239.90	-0.71	-49.70
O=C(C1=CC=NS1)N1CCOCC1C1=N[N-]N=N1	REAL250004629919	1	27	-1.0	-49.03	239.83	-0.72	-49.75
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629920	0	34	-1.0	-61.22	278.88	1.75	-59.47
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629920	1	34	-1.0	-61.25	278.92	1.75	-59.50
O=C(CC(F)(F)C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004629921	0	30	-1.0	-60.42	263.93	0.89	-59.53
O=C(CC(F)(F)C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004629921	1	30	-1.0	-60.44	264.00	0.92	-59.52
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629922	0	38	-1.0	-68.26	297.03	-1.99	-70.25
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629922	1	38	-1.0	-68.22	297.09	-1.98	-70.20
C[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629923	0	38	-1.0	-51.12	289.65	2.66	-48.46
C[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629923	1	38	-1.0	-51.14	289.69	2.68	-48.46
C#CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629924	0	30	-1.0	-56.44	270.45	1.55	-54.89
C#CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629924	1	30	-1.0	-56.43	270.52	1.56	-54.87
O=C(C1=NC=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629925	0	29	-1.0	-58.90	246.63	-0.37	-59.27
O=C(C1=NC=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629925	1	29	-1.0	-58.90	246.58	-0.38	-59.28
O=C(C1C2CCC(=O)C21)N1CCOCC1C1=N[N-]N=N1	REAL250004629926	0	34	-1.0	-55.55	276.01	1.32	-54.23
O=C(C1C2CCC(=O)C21)N1CCOCC1C1=NN=N[N-]1	REAL250004629926	1	34	-1.0	-55.53	276.08	1.33	-54.20
CCOC1C(C)C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629927	0	38	-1.0	-59.55	305.58	1.05	-58.50
CCOC1C(C)C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629927	1	38	-1.0	-59.59	305.65	1.07	-58.52
O=C(CCN1C=NN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629928	0	32	-1.0	-49.23	270.75	-0.15	-49.38
O=C(CCN1C=NN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629928	1	32	-1.0	-49.18	270.68	-0.17	-49.35
NC1=CC=NN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629929	0	33	-1.0	-56.96	275.17	-1.19	-58.15
NC1=CC=NN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629929	1	33	-1.0	-56.98	275.11	-1.22	-58.20
O=C(CC1(O)CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629930	0	39	-1.0	-54.44	297.78	-1.55	-55.99
O=C(CC1(O)CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629930	1	39	-1.0	-54.42	297.84	-1.55	-55.97
O=C(C1=CC=C2NC=CC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629931	0	34	-1.0	-57.06	281.68	0.61	-56.45
O=C(C1=CC=C2NC=CC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629931	1	34	-1.0	-57.05	281.61	0.61	-56.44
CN1C=NC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629932	0	35	-1.0	-56.97	293.23	2.64	-54.33
CN1C=NC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629932	1	35	-1.0	-56.99	293.30	2.63	-54.36
O=C(CC1CC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629933	0	38	-1.0	-53.10	291.94	2.84	-50.26
O=C(CC1CC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629933	1	38	-1.0	-53.14	292.01	2.86	-50.28
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C=O	REAL250004629935	0	33	-1.0	-51.73	277.40	-0.22	-51.95
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C=O	REAL250004629935	1	33	-1.0	-51.75	277.34	-0.24	-51.99
O=C(C1CCC2(CC1)N=N2)N1CCOCC1C1=N[N-]N=N1	REAL250004629936	0	37	-1.0	-53.87	290.67	-3.28	-57.15
O=C(C1CCC2(CC1)N=N2)N1CCOCC1C1=NN=N[N-]1	REAL250004629936	1	37	-1.0	-53.90	290.74	-3.27	-57.17
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629937	0	41	-1.0	-53.61	293.78	3.06	-50.55
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629937	1	41	-1.0	-53.62	293.84	3.08	-50.54
C=C(CC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629938	0	37	-1.0	-52.12	278.06	1.60	-50.52
C=C(CC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629938	1	37	-1.0	-52.08	278.11	1.61	-50.47
O=CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004629939	0	32	-1.0	-53.24	273.50	0.37	-52.87
O=CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004629939	1	32	-1.0	-53.20	272.80	0.50	-52.70
CN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C=O	REAL250004629940	0	34	-1.0	-55.94	282.62	0.79	-55.15
CN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C=O	REAL250004629940	1	34	-1.0	-55.93	282.69	0.79	-55.14
O=CC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629941	0	32	-1.0	-61.71	271.29	-0.57	-62.28
O=CC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629941	1	32	-1.0	-61.75	271.22	-0.56	-62.31
CC(C)N1C=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629942	0	37	-1.0	-50.64	294.35	2.41	-48.23
CC(C)N1C=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629942	1	37	-1.0	-50.65	294.28	2.40	-48.25
CC1=CC=C(C#N)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629943	0	35	-1.0	-50.67	294.88	2.73	-47.94
CC1=CC=C(C#N)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629943	1	35	-1.0	-50.66	294.94	2.74	-47.92
CCC[C@H](O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629944	0	34	-1.0	-51.06	268.71	-1.24	-52.30
CCC[C@H](O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629944	1	34	-1.0	-51.04	268.78	-1.23	-52.27
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)CO	REAL250004629945	0	28	-1.0	-46.59	239.18	-2.74	-49.33
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)CO	REAL250004629945	1	28	-1.0	-46.57	239.23	-2.73	-49.30
CC1=NNC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629946	0	37	-1.0	-50.65	303.39	0.39	-50.26
CC1=NNC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629946	1	37	-1.0	-50.63	303.45	0.40	-50.23
O=C(C1=CC=C(CO)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629947	0	34	-1.0	-53.01	278.97	-2.85	-55.86
O=C(C1=CC=C(CO)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629947	1	34	-1.0	-53.01	279.04	-2.83	-55.84
CC(C)[C@H](NC(N)=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629948	0	39	-1.0	-47.06	299.28	-3.46	-50.52
CC(C)[C@H](NC(N)=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629948	1	39	-1.0	-47.09	299.36	-3.45	-50.54
C=C(CCC(=O)OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629949	0	37	-1.0	-53.95	298.24	1.30	-52.65
C=C(CCC(=O)OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629949	1	37	-1.0	-53.96	298.30	1.32	-52.64
CCOC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629950	0	32	-1.0	-50.23	265.54	-0.12	-50.35
CCOC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629950	1	32	-1.0	-50.28	265.61	-0.11	-50.39
CN1C=CN=C1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629951	0	37	-1.0	-54.23	300.82	1.76	-52.47
CN1C=CN=C1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629951	1	37	-1.0	-54.22	300.88	1.79	-52.43
O=C(C1=CN(CCO)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629952	0	35	-1.0	-52.72	289.36	-3.14	-55.86
O=C(C1=CN(CCO)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629952	1	35	-1.0	-52.73	289.29	-3.14	-55.87
CC1=COC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004629953	0	30	-1.0	-56.88	253.28	-2.86	-59.74
CC1=COC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004629953	1	30	-1.0	-56.85	253.34	-2.84	-59.69
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C=O)O1	REAL250004629954	0	33	-1.0	-49.23	277.58	0.29	-48.94
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C=O)O1	REAL250004629954	1	33	-1.0	-49.24	277.65	0.30	-48.94
O=C(C1=CC2=CNC=CC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629955	0	34	-1.0	-74.10	282.04	0.74	-73.36
O=C(C1=CC2=CNC=CC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629955	1	34	-1.0	-74.12	281.97	0.73	-73.39
C=CC(CC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629956	0	37	-1.0	-51.02	291.69	2.27	-48.75
C=CC(CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629956	1	37	-1.0	-51.03	291.76	2.28	-48.75
O=C(C1=CC2=CC=CN2C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629957	0	34	-1.0	-58.74	281.33	4.04	-54.70
O=C(C1=CC2=CC=CN2C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629957	1	34	-1.0	-58.74	281.26	4.03	-54.71
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629958	0	37	-1.0	-50.39	307.36	2.00	-48.39
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629958	1	37	-1.0	-50.38	307.40	2.01	-48.37
CC1=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004629959	0	36	-1.0	-52.09	298.06	1.58	-50.51
CC1=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004629959	1	36	-1.0	-52.07	298.13	1.60	-50.47
CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629961	0	33	-1.0	-48.65	274.85	-0.60	-49.25
CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629961	1	33	-1.0	-48.63	274.78	-0.61	-49.24
CC[C@@H]1OCC[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629962	0	38	-1.0	-52.10	293.71	0.37	-51.73
CC[C@@H]1OCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629962	1	38	-1.0	-52.11	293.78	0.38	-51.73
COC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NC=N1	REAL250004629963	0	33	-1.0	-50.74	277.47	-1.07	-51.81
COC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NC=N1	REAL250004629963	1	33	-1.0	-50.70	277.40	-1.08	-51.78
O=C([C@@H]1CSCC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004629964	0	33	-1.0	-52.84	275.88	-1.85	-54.69
O=C([C@@H]1CSCC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004629964	1	33	-1.0	-52.82	275.94	-1.83	-54.65
CC(C)(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(F)F	REAL250004629966	0	36	-1.0	-50.31	282.92	1.73	-48.58
CC(C)(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(F)F	REAL250004629966	1	36	-1.0	-50.28	282.98	1.76	-48.52
CN1C(=O)CC[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629967	0	35	-1.0	-58.20	278.67	-0.41	-58.61
CN1C(=O)CC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629967	1	35	-1.0	-58.24	278.73	-0.39	-58.63
O=C(C1CCCCC1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629968	0	37	-1.0	-55.47	284.98	2.04	-53.43
O=C(C1CCCCC1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629968	1	37	-1.0	-55.49	285.05	2.05	-53.44
CC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=C1	REAL250004629969	0	36	-1.0	-55.13	295.02	1.31	-53.82
CC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=C1	REAL250004629969	1	36	-1.0	-55.15	294.97	1.31	-53.84
CC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C	REAL250004629970	0	36	-1.0	-54.54	288.97	1.84	-52.70
CC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C	REAL250004629970	1	36	-1.0	-54.51	289.04	1.84	-52.67
O=C(C1CCC2=CNN=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004629971	0	35	-1.0	-53.11	276.04	0.06	-53.05
O=C(C1CCC2=CNN=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004629971	1	35	-1.0	-53.11	276.11	0.07	-53.04
O=C(CC1CCCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629972	0	41	-1.0	-50.74	304.11	1.18	-49.56
O=C(CC1CCCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629972	1	41	-1.0	-50.72	304.18	1.20	-49.52
C=CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004629973	0	35	-1.0	-52.06	290.73	0.77	-51.29
C=CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004629973	1	35	-1.0	-52.07	290.66	0.76	-51.31
CN1C=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004629974	0	33	-1.0	-67.12	275.75	-0.78	-67.90
CN1C=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004629974	1	33	-1.0	-67.16	275.81	-0.76	-67.92
CC1=NOC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004629975	0	36	-1.0	-51.33	298.48	1.63	-49.70
CC1=NOC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004629975	1	36	-1.0	-51.37	298.54	1.64	-49.73
CC1(C)C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1(C)C	REAL250004629976	0	43	-1.0	-53.82	322.22	3.46	-50.36
CC1(C)C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1(C)C	REAL250004629976	1	43	-1.0	-53.85	322.28	3.48	-50.37
NC1=CC=C(F)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629977	0	33	-1.0	-46.82	274.32	-0.24	-47.06
NC1=CC=C(F)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629977	1	33	-1.0	-46.85	274.25	-0.26	-47.11
O=C(CC1=CN=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629978	0	32	-1.0	-54.46	269.79	0.67	-53.79
O=C(CC1=CN=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629978	1	32	-1.0	-54.44	269.72	0.66	-53.78
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN=N1	REAL250004629979	0	32	-1.0	-48.25	264.49	-0.71	-48.96
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN=N1	REAL250004629979	1	32	-1.0	-48.27	264.56	-0.71	-48.98
CC[C@H](C)[C@H](O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629980	0	37	-1.0	-50.93	277.96	-0.59	-51.52
CC[C@H](C)[C@H](O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629980	1	37	-1.0	-50.93	278.03	-0.59	-51.52
CC(C)CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004629981	0	45	-1.0	-52.27	326.30	3.22	-49.05
CC(C)CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004629981	1	45	-1.0	-52.27	326.35	3.22	-49.05
O=C(C1=CC=C(F)C(O)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629982	0	32	-1.0	-55.01	270.11	-1.20	-56.21
O=C(C1=CC=C(F)C(O)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629982	1	32	-1.0	-55.04	270.18	-1.19	-56.23
C[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=NN=N1	REAL250004629986	0	32	-1.0	-59.43	264.27	-0.75	-60.18
C[C@@H](C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=NN=N1	REAL250004629986	1	32	-1.0	-59.38	264.20	-0.75	-60.13
CNC(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629987	0	34	-1.0	-49.41	279.35	-2.01	-51.42
CNC(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629987	1	34	-1.0	-49.38	279.42	-1.98	-51.36
C=C(F)C1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCC1	REAL250004629988	0	38	-1.0	-53.09	296.06	2.54	-50.55
C=C(F)C1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCC1	REAL250004629988	1	38	-1.0	-53.10	296.13	2.56	-50.54
O=C(CC(O)C1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629989	0	41	-1.0	-57.22	314.50	0.53	-56.69
O=C(CC(O)C1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629989	1	41	-1.0	-57.22	314.58	0.53	-56.69
CC1(OCC(=O)N2CCOCC2C2=N[N-]N=N2)CCCC1	REAL250004629990	0	41	-1.0	-56.95	313.68	2.32	-54.63
CC1(OCC(=O)N2CCOCC2C2=NN=N[N-]2)CCCC1	REAL250004629990	1	41	-1.0	-56.98	313.75	2.33	-54.65
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1F	REAL250004629991	0	33	-1.0	-49.65	277.08	1.22	-48.43
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1F	REAL250004629991	1	33	-1.0	-49.65	277.02	1.21	-48.44
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCOCC1C1=N[N-]N=N1	REAL250004629992	0	36	-1.0	-51.14	281.04	0.47	-50.67
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCOCC1C1=NN=N[N-]1	REAL250004629992	1	36	-1.0	-51.11	281.11	0.49	-50.62
CC1(C)CC1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629993	0	40	-1.0	-52.63	313.21	3.14	-49.49
CC1(C)CC1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629993	1	40	-1.0	-52.58	313.27	3.16	-49.42
CC1(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCO1	REAL250004629994	0	41	-1.0	-54.60	306.29	0.88	-53.72
CC1(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCO1	REAL250004629994	1	41	-1.0	-54.58	306.36	0.90	-53.68
COC1CCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629995	0	38	-1.0	-57.10	293.32	0.84	-56.26
COC1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629995	1	38	-1.0	-57.11	293.37	0.86	-56.25
O=C(C1CC2CCCC21)N1CCOCC1C1=N[N-]N=N1	REAL250004629996	0	38	-1.0	-55.03	289.02	2.60	-52.43
O=C(C1CC2CCCC21)N1CCOCC1C1=NN=N[N-]1	REAL250004629996	1	38	-1.0	-55.04	289.07	2.61	-52.43
COC(=O)[C@H]1C[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004629997	0	37	-1.0	-61.73	300.94	1.56	-60.17
COC(=O)[C@H]1C[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629997	1	37	-1.0	-61.72	301.01	1.56	-60.16
CCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL250004629998	0	33	-1.0	-52.72	282.87	0.88	-51.84
CCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL250004629998	1	33	-1.0	-52.71	282.93	0.89	-51.82
O=C(C1=NNC=C1C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004629999	0	35	-1.0	-57.15	283.34	0.78	-56.37
O=C(C1=NNC=C1C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629999	1	35	-1.0	-57.14	283.41	0.78	-56.36
O=C(C1CCC2CC2CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630000	0	41	-1.0	-52.94	293.07	2.81	-50.13
O=C(C1CCC2CC2CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630000	1	41	-1.0	-52.92	293.14	2.80	-50.12
O=C(CC1CCC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630001	0	41	-1.0	-52.43	305.70	3.36	-49.07
O=C(CC1CCC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630001	1	41	-1.0	-52.41	305.77	3.38	-49.03
O=C(C1=CCCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630002	0	36	-1.0	-51.31	276.12	0.32	-50.99
O=C(C1=CCCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630002	1	36	-1.0	-51.32	276.19	0.33	-50.99
CC1(C)CCC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630003	0	41	-1.0	-53.86	305.81	2.97	-50.89
CC1(C)CCC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630003	1	41	-1.0	-53.86	305.88	2.98	-50.88
O=C(C=CC1=CC=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630004	0	34	-1.0	-53.44	283.47	1.42	-52.02
O=C(C=CC1=CC=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630004	1	34	-1.0	-53.42	283.54	1.44	-51.98
O=C(C1=CC=C(C2CC2)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004630005	0	35	-1.0	-50.97	289.12	2.50	-48.47
O=C(C1=CC=C(C2CC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004630005	1	35	-1.0	-50.96	289.17	2.52	-48.44
CC1(CCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630006	0	37	-1.0	-52.77	289.15	2.36	-50.41
CC1(CCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630006	1	37	-1.0	-52.76	289.23	2.39	-50.37
O=CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004630007	0	30	-1.0	-54.60	258.46	0.11	-54.49
O=CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004630007	1	30	-1.0	-54.66	258.53	0.12	-54.54
NC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004630008	0	29	-1.0	-51.45	246.34	-5.23	-56.68
NC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004630008	1	29	-1.0	-51.41	246.27	-5.26	-56.67
O=C(C1CCC1F)N1CCOCC1C1=N[N-]N=N1	REAL250004630009	0	31	-1.0	-53.47	251.76	0.99	-52.48
O=C(C1CCC1F)N1CCOCC1C1=NN=N[N-]1	REAL250004630009	1	31	-1.0	-53.46	251.81	1.01	-52.45
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630010	0	39	-1.0	-54.76	294.63	3.24	-51.52
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630010	1	39	-1.0	-54.79	294.70	3.25	-51.54
CC1CC2CC2CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630011	0	41	-1.0	-51.93	305.52	3.21	-48.72
CC1CC2CC2CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630011	1	41	-1.0	-51.93	305.58	3.22	-48.71
CN1C=CC(=O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630012	0	34	-1.0	-61.95	278.15	0.98	-60.97
CN1C=CC(=O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630012	1	34	-1.0	-61.95	278.22	0.99	-60.96
CCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004630013	0	34	-1.0	-53.58	278.30	0.52	-53.06
CCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004630013	1	34	-1.0	-53.53	278.37	0.55	-52.98
O=C(C=CC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630014	0	35	-1.0	-54.20	288.21	3.32	-50.88
O=C(C=CC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630014	1	35	-1.0	-54.14	288.26	3.32	-50.82
O=C(C1=CC=CC(F)=C1O)N1CCOCC1C1=N[N-]N=N1	REAL250004630015	1	32	-1.0	-58.78	268.38	-0.19	-58.97
O=C(C1=CC=CC(F)=C1O)N1CCOCC1C1=NN=N[N-]1	REAL250004630015	1	32	-1.0	-58.80	268.44	-0.16	-58.96
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCOCC1C1=N[N-]N=N1	REAL250004630016	0	41	-1.0	-53.44	299.90	3.25	-50.19
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCOCC1C1=NN=N[N-]1	REAL250004630016	1	41	-1.0	-53.48	299.96	3.27	-50.21
O=C(C1=CC=C(CO)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630017	0	34	-1.0	-55.09	282.66	-1.99	-57.08
O=C(C1=CC=C(CO)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630017	1	34	-1.0	-55.01	282.36	-1.95	-56.96
CC1=NOC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630018	0	33	-1.0	-55.28	276.50	0.66	-54.62
CC1=NOC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630018	1	33	-1.0	-55.29	276.58	0.67	-54.62
CCN1C(=O)NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630019	0	35	-1.0	-55.45	283.73	-0.81	-56.26
CCN1C(=O)NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630019	1	35	-1.0	-55.50	283.80	-0.80	-56.30
CNC1=NC=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630020	0	35	-1.0	-50.84	284.85	0.01	-50.83
CNC1=NC=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630020	1	35	-1.0	-50.82	284.91	0.01	-50.81
COC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630021	0	35	-1.0	-55.96	282.42	0.35	-55.61
COC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630021	1	35	-1.0	-55.97	282.48	0.36	-55.61
O=C(CC1CCC2CC2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630022	0	41	-1.0	-53.73	307.63	3.53	-50.20
O=C(CC1CCC2CC2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630022	1	41	-1.0	-53.73	307.70	3.54	-50.19
CC1=NSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630023	0	30	-1.0	-49.11	260.95	-0.18	-49.29
CC1=NSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630023	1	30	-1.0	-49.16	261.03	-0.18	-49.34
C=C(CCC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630024	0	34	-1.0	-52.17	264.28	1.26	-50.91
C=C(CCC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630024	1	34	-1.0	-52.16	264.33	1.28	-50.88
C#CC1(O)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630025	0	34	-1.0	-53.92	284.39	-1.37	-55.29
C#CC1(O)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630025	1	34	-1.0	-53.93	284.46	-1.36	-55.29
O=C(C1=C2C=CC=CN2C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630026	0	34	-1.0	-62.59	280.38	3.83	-58.76
O=C(C1=C2C=CC=CN2C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630026	1	34	-1.0	-62.60	280.32	3.81	-58.79
CCOCCOCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630028	0	41	-1.0	-51.66	330.75	-0.05	-51.71
CCOCCOCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630028	1	41	-1.0	-51.63	330.82	-0.03	-51.66
O=C([C@@H]1C[C@H]1CF)N1CCOCC1C1=N[N-]N=N1	REAL250004630029	0	31	-1.0	-55.74	258.01	1.20	-54.54
O=C([C@@H]1C[C@H]1CF)N1CCOCC1C1=NN=N[N-]1	REAL250004630029	1	31	-1.0	-55.75	258.08	1.21	-54.54
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630030	0	39	-1.0	-55.92	308.03	1.37	-54.55
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630030	1	39	-1.0	-55.87	308.10	1.36	-54.51
CC1=CSC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630031	0	34	-1.0	-51.88	291.59	2.45	-49.43
CC1=CSC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630031	1	34	-1.0	-51.89	291.66	2.48	-49.41
O=C(C#CC1CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630032	0	37	-1.0	-52.43	302.72	1.22	-51.21
O=C(C#CC1CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630032	1	37	-1.0	-52.46	302.79	1.23	-51.23
O=C(C1CC=CCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630034	0	33	-1.0	-56.35	262.16	0.61	-55.74
O=C(C1CC=CCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630034	1	33	-1.0	-56.35	262.23	0.63	-55.72
O=C(CC1CC(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630035	0	34	-1.0	-57.76	274.54	1.82	-55.94
O=C(CC1CC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630035	1	34	-1.0	-57.77	274.61	1.83	-55.94
O=C(C1CC2(CC2(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630036	0	35	-1.0	-50.88	291.53	2.46	-48.42
O=C(C1CC2(CC2(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630036	1	35	-1.0	-50.90	291.59	2.48	-48.42
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC(C=O)=C1	REAL250004630037	0	34	-1.0	-53.94	282.90	0.26	-53.68
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC(C=O)=C1	REAL250004630037	1	34	-1.0	-53.95	282.97	0.29	-53.66
O=C(C1CCS1(=O)=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630038	0	31	-1.0	-64.95	263.54	-2.20	-67.15
O=C(C1CCS1(=O)=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630038	1	31	-1.0	-64.92	263.60	-2.19	-67.11
O=C(CC(O)C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630039	0	35	-1.0	-56.36	283.04	-0.57	-56.93
O=C(CC(O)C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630039	1	35	-1.0	-56.30	283.11	-0.56	-56.86
CC1=NSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL250004630040	0	32	-1.0	-47.67	273.19	-2.09	-49.76
CC1=NSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL250004630040	1	32	-1.0	-47.71	273.25	-2.09	-49.80
O=C(C=CC1=NC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL250004630041	0	31	-1.0	-50.81	276.22	0.51	-50.30
O=C(C=CC1=NC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL250004630041	1	31	-1.0	-50.79	276.29	0.54	-50.25
COC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CS1	REAL250004630042	0	32	-1.0	-59.43	274.24	0.46	-58.97
COC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CS1	REAL250004630042	1	32	-1.0	-59.44	274.31	0.46	-58.98
O=C(C1C(F)(F)C12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630043	0	35	-1.0	-51.85	288.19	2.50	-49.35
O=C(C1C(F)(F)C12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630043	1	35	-1.0	-51.85	288.26	2.50	-49.35
C=C(C)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630044	0	37	-1.0	-52.81	296.90	2.44	-50.37
C=C(C)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630044	1	37	-1.0	-52.81	296.96	2.46	-50.35
CCCC(C(=O)OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630045	0	39	-1.0	-60.21	309.21	2.66	-57.55
CCCC(C(=O)OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630045	1	39	-1.0	-60.18	309.24	2.67	-57.51
O=C(CCC[N+](=O)[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004630046	0	32	-1.0	-59.40	270.33	0.85	-58.55
O=C(CCC[N+](=O)[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004630046	1	32	-1.0	-59.38	270.41	0.87	-58.51
CC1(C)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630047	0	35	-1.0	-54.60	277.47	1.90	-52.70
CC1(C)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630047	1	35	-1.0	-54.59	277.54	1.91	-52.68
O=C(C#CC1CCCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630048	0	39	-1.0	-53.01	311.77	3.60	-49.41
O=C(C#CC1CCCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630048	1	39	-1.0	-52.76	311.84	3.61	-49.15
O=C(C1=NNC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL250004630049	0	28	-1.0	-54.93	250.11	-0.72	-55.65
O=C(C1=NNC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL250004630049	1	28	-1.0	-54.97	250.18	-0.72	-55.69
O=C(C(O)C1(O)CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630050	0	36	-1.0	-47.08	276.65	-3.30	-50.38
O=C(C(O)C1(O)CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630050	1	36	-1.0	-47.14	276.70	-3.27	-50.41
CC(O)C(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630052	0	31	-1.0	-47.30	258.28	-1.64	-48.94
CC(O)C(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630052	1	31	-1.0	-47.25	258.34	-1.61	-48.86
CC(CN1C=CN=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630053	0	37	-1.0	-48.72	297.37	2.56	-46.16
CC(CN1C=CN=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630053	1	37	-1.0	-48.73	297.45	2.57	-46.16
C=C(C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630054	0	34	-1.0	-51.61	275.66	1.67	-49.94
C=C(C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630054	1	34	-1.0	-51.59	275.73	1.69	-49.90
CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004630055	0	39	-1.0	-52.84	287.91	2.10	-50.74
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004630055	1	39	-1.0	-52.88	287.95	2.11	-50.77
O=C(C1=CC=CC2=CC=NN21)N1CCOCC1C1=NN=N[N-]1	REAL250004630056	0	34	-1.0	-60.84	287.26	1.52	-59.32
O=C(C1=CC=CC2=CC=NN21)N1CCOCC1C1=N[N-]N=N1	REAL250004630056	1	34	-1.0	-60.82	287.20	1.52	-59.30
O=C(C1=COC2=C1COC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630057	0	33	-1.0	-55.87	273.25	-0.80	-56.67
O=C(C1=COC2=C1COC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630057	1	33	-1.0	-55.86	273.32	-0.81	-56.67
N#CC1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004630058	0	32	-1.0	-60.05	281.27	0.52	-59.53
N#CC1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004630058	1	32	-1.0	-60.07	281.20	0.50	-59.57
O=C(CCC1=CON=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630059	0	33	-1.0	-51.25	276.20	0.89	-50.36
O=C(CCC1=CON=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630059	1	33	-1.0	-51.25	276.13	0.86	-50.39
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1C	REAL250004630060	0	34	-1.0	-56.88	276.70	0.60	-56.28
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1C	REAL250004630060	1	34	-1.0	-56.84	276.76	0.61	-56.23
O=C(C1C2CCOCC21)N1CCOCC1C1=N[N-]N=N1	REAL250004630061	0	36	-1.0	-54.17	272.87	1.81	-52.36
O=C(C1C2CCOCC21)N1CCOCC1C1=NN=N[N-]1	REAL250004630061	1	36	-1.0	-54.16	272.88	1.82	-52.34
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)CC1CC1	REAL250004630062	0	34	-1.0	-44.05	281.23	2.01	-42.04
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)CC1CC1	REAL250004630062	1	34	-1.0	-44.09	281.30	2.04	-42.05
O=C(C#CC1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630063	0	34	-1.0	-56.04	284.86	0.60	-55.44
O=C(C#CC1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630063	1	34	-1.0	-54.56	284.93	0.60	-53.96
COC1=NOC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630064	0	34	-1.0	-57.57	287.63	-1.72	-59.29
COC1=NOC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630064	1	34	-1.0	-57.61	287.70	-1.71	-59.32
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C)O1	REAL250004630065	0	37	-1.0	-52.06	297.15	2.06	-50.00
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C)O1	REAL250004630065	1	37	-1.0	-52.06	297.21	2.05	-50.01
O=C(C1=CC=C(Cl)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630066	0	29	-1.0	-49.68	255.77	0.39	-49.29
O=C(C1=CC=C(Cl)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630066	1	29	-1.0	-49.68	255.84	0.39	-49.29
CC1=C(C)NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630067	0	35	-1.0	-56.09	281.45	1.14	-54.95
CC1=C(C)NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630067	1	35	-1.0	-56.11	281.52	1.14	-54.97
CCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)O1	REAL250004630068	0	37	-1.0	-51.62	298.34	2.11	-49.51
CCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)O1	REAL250004630068	1	37	-1.0	-51.59	298.41	2.12	-49.47
CC1OCCC1(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630069	0	35	-1.0	-51.08	274.05	-0.50	-51.58
CC1OCCC1(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630069	1	35	-1.0	-51.08	274.13	-0.49	-51.57
CCC(C)(C)CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630070	0	45	-1.0	-52.68	332.19	3.41	-49.27
CCC(C)(C)CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630070	1	45	-1.0	-52.69	332.26	3.44	-49.25
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC=N1	REAL250004630071	0	33	-1.0	-50.48	269.92	-1.83	-52.31
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC=N1	REAL250004630071	1	33	-1.0	-50.47	269.97	-1.82	-52.29
O=C(C1=CCCS1)N1CCOCC1C1=N[N-]N=N1	REAL250004630072	0	30	-1.0	-52.91	254.69	0.85	-52.06
O=C(C1=CCCS1)N1CCOCC1C1=NN=N[N-]1	REAL250004630072	1	30	-1.0	-52.94	254.76	0.86	-52.08
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004630073	0	37	-1.0	-50.92	286.08	2.35	-48.57
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004630073	1	37	-1.0	-50.91	286.14	2.35	-48.56
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=CS1	REAL250004630074	0	30	-1.0	-52.36	259.85	0.06	-52.30
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=CS1	REAL250004630074	1	30	-1.0	-52.40	259.78	0.05	-52.35
CSC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004630075	0	37	-1.0	-51.94	289.24	1.70	-50.24
CSC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004630075	1	37	-1.0	-51.98	289.31	1.71	-50.27
O=C(C1CC(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630076	0	31	-1.0	-55.95	252.69	1.04	-54.91
O=C(C1CC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630076	1	31	-1.0	-55.92	252.76	1.06	-54.86
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC(C)=N1	REAL250004630077	0	36	-1.0	-52.95	291.12	1.04	-51.91
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC(C)=N1	REAL250004630077	1	36	-1.0	-53.01	291.19	1.04	-51.97
O=C(CC1(O)CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630078	0	39	-1.0	-57.26	298.55	-1.30	-58.56
O=C(CC1(O)CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630078	1	39	-1.0	-57.24	298.60	-1.30	-58.54
N#CC1=CNN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630079	0	29	-1.0	-64.11	255.46	-0.87	-64.98
N#CC1=CNN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630079	1	29	-1.0	-64.13	255.52	-0.87	-65.00
O=C(C=CC1=COC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630080	0	31	-1.0	-53.82	266.62	-2.00	-55.82
O=C(C=CC1=COC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630080	1	31	-1.0	-53.84	266.69	-2.00	-55.84
O=C(CCC1=NNC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630081	0	34	-1.0	-53.78	281.01	-0.17	-53.95
O=C(CCC1=NNC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630081	1	34	-1.0	-53.75	281.08	-0.14	-53.89
CCC1=CNC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630082	0	35	-1.0	-60.56	279.61	0.93	-59.63
CCC1=CNC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630082	1	35	-1.0	-60.52	279.68	0.95	-59.57
O=C(CC1(O)CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630083	0	36	-1.0	-52.05	280.34	-2.51	-54.56
O=C(CC1(O)CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630083	1	36	-1.0	-52.04	280.41	-2.49	-54.53
CN(C)C(=O)C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630084	0	35	-1.0	-49.73	287.54	-0.15	-49.88
CN(C)C(=O)C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630084	1	35	-1.0	-49.73	287.59	-0.14	-49.87
O=C(C=CC(=O)N1CCOCC1C1=N[N-]N=N1)NC1CC1	REAL250004630085	0	36	-1.0	-49.49	302.27	-0.49	-49.98
O=C(C=CC(=O)N1CCOCC1C1=NN=N[N-]1)NC1CC1	REAL250004630085	1	36	-1.0	-49.49	302.34	-0.46	-49.95
O=C(CC1=CNN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630086	0	31	-1.0	-54.76	259.62	-0.84	-55.60
O=C(CC1=CNN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630086	1	31	-1.0	-54.75	259.55	-0.85	-55.60
CC1=CN(C(C)C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL250004630087	0	37	-1.0	-54.14	298.78	1.10	-53.04
CC1=CN(C(C)C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL250004630087	1	37	-1.0	-54.10	298.73	1.10	-53.00
O=C(COC1=NOC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630088	0	31	-1.0	-56.64	266.63	-1.41	-58.05
O=C(COC1=NOC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630088	1	31	-1.0	-56.62	266.56	-1.44	-58.06
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCOCC1C1=N[N-]N=N1	REAL250004630089	0	39	-1.0	-54.19	285.73	0.45	-53.74
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCOCC1C1=NN=N[N-]1	REAL250004630089	1	39	-1.0	-54.22	285.80	0.46	-53.76
O=C(CC1(CO)CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630090	0	38	-1.0	-50.46	291.48	-1.05	-51.51
O=C(CC1(CO)CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630090	1	38	-1.0	-50.46	291.54	-1.04	-51.50
CCC(CCOC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630091	0	40	-1.0	-53.93	309.17	0.69	-53.24
CCC(CCOC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630091	1	40	-1.0	-53.89	309.22	0.70	-53.19
CC1=NC(N)=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630092	0	34	-1.0	-49.00	279.65	-0.49	-49.49
CC1=NC(N)=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630092	1	34	-1.0	-49.00	279.71	-0.49	-49.49
C=C(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004630093	0	34	-1.0	-52.72	272.43	1.42	-51.30
C=C(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004630093	1	34	-1.0	-52.72	272.49	1.43	-51.29
CN1N=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630094	0	34	-1.0	-55.91	280.69	0.20	-55.71
CN1N=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630094	1	34	-1.0	-55.95	280.76	0.22	-55.73
CC1(C#CC(=O)N2CCOCC2C2=N[N-]N=N2)CCCO1	REAL250004630095	0	37	-1.0	-55.04	304.52	1.11	-53.93
CC1(C#CC(=O)N2CCOCC2C2=NN=N[N-]2)CCCO1	REAL250004630095	1	37	-1.0	-51.33	304.59	1.11	-50.22
O=C(C1CSC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630096	0	30	-1.0	-57.71	260.01	-2.71	-60.42
O=C(C1CSC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630096	1	30	-1.0	-57.71	260.09	-2.70	-60.41
NC(=O)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1	REAL250004630097	0	32	-1.0	-59.64	272.49	-4.56	-64.20
NC(=O)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1	REAL250004630097	1	32	-1.0	-59.62	272.56	-4.55	-64.17
CC1(C)C(O)CC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630098	0	41	-1.0	-56.69	314.05	-0.49	-57.18
CC1(C)C(O)CC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630098	1	41	-1.0	-56.72	314.12	-0.47	-57.19
O=C(C1=CC2(C1)CCOC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630099	0	37	-1.0	-53.85	292.17	0.64	-53.21
O=C(C1=CC2(C1)CCOC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630099	1	37	-1.0	-53.84	292.24	0.66	-53.18
O=C(C1=CC=NN1CCF)N1CCOCC1C1=NN=N[N-]1	REAL250004630100	0	34	-1.0	-51.39	280.54	0.41	-50.98
O=C(C1=CC=NN1CCF)N1CCOCC1C1=N[N-]N=N1	REAL250004630100	1	34	-1.0	-51.46	280.47	0.40	-51.06
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=CS1	REAL250004630101	0	33	-1.0	-52.55	277.19	1.09	-51.46
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=CS1	REAL250004630101	1	33	-1.0	-52.53	277.12	1.08	-51.45
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCO1	REAL250004630102	0	33	-1.0	-52.30	258.09	0.24	-52.06
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCO1	REAL250004630102	1	33	-1.0	-52.34	258.16	0.25	-52.09
CCCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630103	0	37	-1.0	-55.74	300.61	1.66	-54.08
CCCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630103	1	37	-1.0	-55.74	300.55	1.64	-54.10
C[C@H](CC(F)(F)F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630104	0	33	-1.0	-47.42	272.20	1.16	-46.26
C[C@H](CC(F)(F)F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630104	1	33	-1.0	-47.43	272.26	1.17	-46.26
CCN1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630105	0	35	-1.0	-52.24	277.40	1.99	-50.25
CCN1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630105	1	35	-1.0	-52.27	277.47	2.01	-50.26
CC(=CN1C=CN=N1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630106	0	34	-1.0	-49.43	277.07	0.36	-49.07
CC(=CN1C=CN=N1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630106	1	34	-1.0	-49.45	277.16	0.37	-49.08
O=C(C(F)=CC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630107	0	32	-1.0	-46.84	266.90	1.83	-45.01
O=C(C(F)=CC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630107	1	32	-1.0	-46.86	266.97	1.83	-45.03
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004630108	0	35	-1.0	-50.50	279.89	2.17	-48.33
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004630108	1	35	-1.0	-50.46	279.96	2.19	-48.27
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N(C)C=N1	REAL250004630109	0	34	-1.0	-52.99	282.52	1.68	-51.31
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N(C)C=N1	REAL250004630109	1	34	-1.0	-52.97	282.58	1.69	-51.28
COC1=NNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630110	0	32	-1.0	-49.61	267.35	-3.74	-53.35
COC1=NNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630110	1	32	-1.0	-49.66	267.42	-3.73	-53.39
CC1CC(=O)NC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630111	0	35	-1.0	-58.29	280.44	-2.03	-60.32
CC1CC(=O)NC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630111	1	35	-1.0	-58.28	280.51	-2.02	-60.30
COCC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630112	0	34	-1.0	-47.61	285.75	-0.96	-48.57
COCC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630112	1	34	-1.0	-47.60	285.82	-0.94	-48.54
O=C(C1CC2(C1)CCOC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630113	0	39	-1.0	-53.03	301.28	0.75	-52.28
O=C(C1CC2(C1)CCOC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630113	1	39	-1.0	-52.99	301.34	0.76	-52.23
CCC1(CC)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630114	0	43	-1.0	-53.34	321.17	3.15	-50.19
CCC1(CC)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630114	1	43	-1.0	-53.31	321.23	3.17	-50.14
O=C(CN1N=CN=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630115	0	29	-1.0	-58.64	250.08	-1.20	-59.84
O=C(CN1N=CN=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630115	1	29	-1.0	-58.60	250.01	-1.21	-59.81
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCOCC3C3=N[N-]N=N3)C[C@@H]21	REAL250004630116	0	41	-1.0	-55.08	306.60	3.29	-51.79
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCOCC3C3=NN=N[N-]3)C[C@@H]21	REAL250004630116	1	41	-1.0	-55.12	306.66	3.30	-51.82
CC(C)=CCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630117	0	37	-1.0	-51.72	293.53	2.47	-49.25
CC(C)=CCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630117	1	37	-1.0	-51.71	293.60	2.48	-49.23
COC1=CC=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630118	0	34	-1.0	-56.40	275.93	-0.12	-56.52
COC1=CC=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630118	1	34	-1.0	-56.40	276.00	-0.09	-56.49
CC(=O)OCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630119	0	36	-1.0	-54.94	298.27	1.42	-53.52
CC(=O)OCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630119	1	36	-1.0	-54.93	298.33	1.44	-53.49
O=C(C1=NN(CCF)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630120	0	34	-1.0	-54.90	285.75	1.10	-53.80
O=C(C1=NN(CCF)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630120	1	34	-1.0	-54.88	285.68	1.09	-53.79
CC1=NC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL250004630121	0	33	-1.0	-53.57	286.80	0.62	-52.95
CC1=NC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL250004630121	1	33	-1.0	-53.60	286.86	0.62	-52.98
CC1=CNC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630122	0	37	-1.0	-52.17	302.46	0.73	-51.44
CC1=CNC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630122	1	37	-1.0	-52.18	302.53	0.76	-51.42
CCCC(CC)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630123	0	42	-1.0	-52.51	311.84	2.98	-49.53
CCCC(CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630123	1	42	-1.0	-52.54	311.91	3.00	-49.54
O=C(C1C(F)(F)C12CC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630124	0	32	-1.0	-51.35	274.75	2.03	-49.32
O=C(C1C(F)(F)C12CC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630124	1	32	-1.0	-51.30	274.82	2.05	-49.25
C=CCOC(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630125	0	36	-1.0	-48.52	304.00	-1.78	-50.30
C=CCOC(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630125	1	36	-1.0	-48.55	304.07	-1.75	-50.30
COCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC=C1	REAL250004630126	0	35	-1.0	-51.60	288.73	-0.11	-51.71
COCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC=C1	REAL250004630126	1	35	-1.0	-51.57	288.79	-0.10	-51.67
COC1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630127	0	34	-1.0	-53.77	277.45	-1.02	-54.79
COC1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630127	1	34	-1.0	-53.75	277.38	-1.02	-54.77
O=C(C[C@H]1COC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630128	0	33	-1.0	-56.73	270.89	-2.91	-59.64
O=C(C[C@H]1COC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630128	1	33	-1.0	-56.73	270.96	-2.89	-59.62
CN1C=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630129	0	31	-1.0	-49.88	253.77	0.94	-48.94
CN1C=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630129	1	31	-1.0	-49.91	253.70	0.92	-48.99
O=C(COC1CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630130	0	39	-1.0	-55.82	307.30	0.18	-55.64
O=C(COC1CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630130	1	39	-1.0	-55.79	307.37	0.20	-55.59
CC(C)NC(=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630131	0	34	-1.0	-43.65	276.59	-2.06	-45.71
CC(C)NC(=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630131	1	34	-1.0	-43.67	276.65	-2.05	-45.72
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1F	REAL250004630132	0	31	-1.0	-51.43	264.27	0.00	-51.43
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1F	REAL250004630132	1	31	-1.0	-51.43	264.20	-0.03	-51.46
CC1(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1(F)F	REAL250004630133	0	34	-1.0	-49.77	276.48	1.74	-48.03
CC1(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1(F)F	REAL250004630133	1	34	-1.0	-49.76	276.54	1.76	-48.00
O=C(C(F)CC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630134	0	34	-1.0	-51.33	277.66	2.15	-49.18
O=C(C(F)CC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630134	1	34	-1.0	-51.31	277.72	2.17	-49.14
O=C(C1=NC=C(Cl)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630135	0	29	-1.0	-52.97	264.12	-0.04	-53.01
O=C(C1=NC=C(Cl)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630135	1	29	-1.0	-52.98	264.05	-0.03	-53.01
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)S(N)(=O)=O	REAL250004630136	0	32	-1.0	-68.40	270.25	-5.43	-73.83
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)S(N)(=O)=O	REAL250004630136	1	32	-1.0	-68.43	270.32	-5.41	-73.84
CC1=CNC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630137	0	35	-1.0	-52.89	292.93	0.70	-52.19
CC1=CNC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630137	1	35	-1.0	-52.87	292.99	0.70	-52.17
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CC1	REAL250004630138	0	40	-1.0	-51.84	307.46	3.18	-48.66
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004630138	1	40	-1.0	-51.88	307.53	3.19	-48.69
CC(=CC1CC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630139	0	35	-1.0	-55.17	274.29	2.18	-52.99
CC(=CC1CC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630139	1	35	-1.0	-55.18	274.36	2.20	-52.98
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CC=N1	REAL250004630140	0	37	-1.0	-49.87	292.36	1.13	-48.74
CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CC=N1	REAL250004630140	1	37	-1.0	-49.90	292.29	1.13	-48.77
O=C(C1CC2(CC(=O)N2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630141	0	36	-1.0	-57.35	292.10	-2.05	-59.40
O=C(C1CC2(CC(=O)N2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630141	1	36	-1.0	-57.30	292.17	-2.03	-59.33
O=C(CCOC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630142	0	35	-1.0	-49.99	285.64	0.49	-49.50
O=C(CCOC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630142	1	35	-1.0	-50.00	285.71	0.52	-49.48
COCN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630143	0	35	-1.0	-52.90	286.69	-2.00	-54.90
COCN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630143	1	35	-1.0	-52.92	286.62	-2.01	-54.93
CC1(C)OC[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004630144	0	36	-1.0	-55.21	286.02	-0.25	-55.46
CC1(C)OC[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004630144	1	36	-1.0	-55.16	286.08	-0.23	-55.39
O=C(C=CC1=CC=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630145	0	33	-1.0	-51.03	280.86	1.54	-49.49
O=C(C=CC1=CC=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630145	1	33	-1.0	-51.04	280.92	1.55	-49.49
CC(C)C1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL250004630146	0	36	-1.0	-49.25	295.29	-0.40	-49.65
CC(C)C1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL250004630146	1	36	-1.0	-49.26	295.36	-0.38	-49.64
N#C[C@@]1(O)C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630147	0	33	-1.0	-52.08	277.36	-2.20	-54.28
N#C[C@@]1(O)C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630147	1	33	-1.0	-52.08	277.43	-2.20	-54.28
O=C(C(F)CC1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630148	0	40	-1.0	-51.49	310.57	3.06	-48.43
O=C(C(F)CC1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630148	1	40	-1.0	-51.50	310.63	3.08	-48.42
O=C(C1CC2(C1)CCCO2)N1CCOCC1C1=N[N-]N=N1	REAL250004630149	0	39	-1.0	-58.03	301.96	0.96	-57.07
O=C(C1CC2(C1)CCCO2)N1CCOCC1C1=NN=N[N-]1	REAL250004630149	1	39	-1.0	-58.01	302.03	0.98	-57.03
CCCC(O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630150	0	34	-1.0	-51.18	268.34	-1.28	-52.46
CCCC(O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630150	1	34	-1.0	-51.20	268.41	-1.27	-52.47
NC(=O)C1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630151	0	31	-1.0	-49.21	269.70	-4.14	-53.35
NC(=O)C1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630151	1	31	-1.0	-49.23	269.64	-4.16	-53.39
O=C([C@H]1CCC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004630152	0	38	-1.0	-53.79	302.40	3.59	-50.20
O=C([C@H]1CCC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004630152	1	38	-1.0	-53.81	302.46	3.60	-50.21
O=C(C1=C2C=CN=C2NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630153	0	34	-1.0	-73.82	278.11	0.98	-72.84
O=C(C1=C2C=CNC2=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630153	1	34	-1.0	-58.57	278.37	0.90	-57.67
O=C(C1=C2C=CN=C2NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630153	1	34	-1.0	-73.83	278.03	0.96	-72.87
O=C(C1=C2C=CNC2=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630153	1	34	-1.0	-58.57	278.28	0.87	-57.70
COCCC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630154	0	43	-1.0	-49.67	320.83	1.13	-48.54
COCCC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630154	1	43	-1.0	-49.73	320.90	1.15	-48.58
CCSC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630155	0	34	-1.0	-55.19	279.71	1.41	-53.78
CCSC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630155	1	34	-1.0	-55.20	279.78	1.43	-53.77
O=C(CC1COCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630156	0	36	-1.0	-56.91	285.07	-0.50	-57.41
O=C(CC1COCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630156	1	36	-1.0	-56.95	285.14	-0.50	-57.45
CCC1(C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630157	0	40	-1.0	-53.07	303.81	2.62	-50.45
CCC1(C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630157	1	40	-1.0	-53.05	303.87	2.63	-50.42
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(F)F	REAL250004630158	0	33	-1.0	-51.88	269.78	1.25	-50.63
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(F)F	REAL250004630158	1	33	-1.0	-51.92	269.84	1.26	-50.66
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)C=N1	REAL250004630159	0	36	-1.0	-49.86	289.48	1.24	-48.62
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)C=N1	REAL250004630159	1	36	-1.0	-49.85	289.54	1.26	-48.59
CC1(C)CCOC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630160	0	41	-1.0	-57.59	310.27	1.48	-56.11
CC1(C)CCOC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630160	1	41	-1.0	-57.56	310.34	1.49	-56.07
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NC(C)=N1	REAL250004630161	0	35	-1.0	-49.41	287.77	1.20	-48.21
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NC(C)=N1	REAL250004630161	1	35	-1.0	-49.41	287.83	1.20	-48.21
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=NS1	REAL250004630162	0	30	-1.0	-47.87	256.97	-0.02	-47.89
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=NS1	REAL250004630162	1	30	-1.0	-47.87	257.04	0.01	-47.86
O=C(C=CC1=CN=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630163	0	33	-1.0	-53.25	280.83	-0.20	-53.45
O=C(C=CC1=CN=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630163	1	33	-1.0	-53.19	280.90	-0.18	-53.37
O=C(C1=CN=C(F)C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630164	0	30	-1.0	-47.13	260.61	-0.29	-47.42
O=C(C1=CN=C(F)C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630164	1	30	-1.0	-47.14	260.54	-0.30	-47.44
COC(=O)C(OC)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630165	0	34	-1.0	-55.34	279.40	0.05	-55.29
COC(=O)C(OC)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630165	1	34	-1.0	-55.38	279.53	0.04	-55.34
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630166	0	37	-1.0	-60.71	297.04	1.30	-59.41
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630166	1	37	-1.0	-60.66	297.17	1.33	-59.33
O=C([C@@H]1CCC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL250004630167	0	38	-1.0	-52.68	298.19	3.56	-49.12
O=C([C@@H]1CCC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL250004630167	1	38	-1.0	-52.71	298.46	3.57	-49.14
N#CCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630168	0	32	-1.0	-63.54	278.53	0.64	-62.90
N#CCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630168	1	32	-1.0	-63.55	278.47	0.61	-62.94
O=C(CC1C[C@@H]2COC[C@H]12)N1CCOCC1C1=N[N-]N=N1	REAL250004630169	0	39	-1.0	-57.34	301.60	1.00	-56.34
O=C(CC1C[C@@H]2COC[C@H]12)N1CCOCC1C1=NN=N[N-]1	REAL250004630169	1	39	-1.0	-57.40	301.66	1.01	-56.39
CCN1C=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630170	0	33	-1.0	-61.19	273.38	1.96	-59.23
CCN1C=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630170	1	33	-1.0	-61.20	273.32	1.95	-59.25
N#CCN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630171	0	32	-1.0	-52.96	273.23	0.04	-52.92
N#CCN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630171	1	32	-1.0	-53.00	273.16	0.04	-52.96
CC(C)CC(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630172	0	36	-1.0	-50.85	284.42	1.89	-48.96
CC(C)CC(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630172	1	36	-1.0	-50.84	284.48	1.89	-48.95
C=C(Cl)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630173	0	31	-1.0	-50.01	271.07	1.53	-48.48
C=C(Cl)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630173	1	31	-1.0	-50.01	271.14	1.56	-48.45
CC(CC1CCC1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630174	0	40	-1.0	-53.00	305.28	2.98	-50.02
CC(CC1CCC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630174	1	40	-1.0	-52.96	305.35	3.00	-49.96
O=C(CCCC1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630175	0	40	-1.0	-52.81	311.38	3.30	-49.51
O=C(CCCC1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630175	1	40	-1.0	-52.77	311.45	3.31	-49.46
CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL250004630176	0	36	-1.0	-49.82	285.45	0.60	-49.22
CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL250004630176	1	36	-1.0	-49.82	285.40	0.59	-49.23
NC1=C(F)C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630177	0	33	-1.0	-49.85	273.35	-0.21	-50.06
NC1=C(F)C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630177	1	33	-1.0	-49.85	273.28	-0.23	-50.08
O=C(CC1=CC=C(O)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630178	0	34	-1.0	-58.21	284.19	-1.82	-60.03
O=C(CC1=CC=C(O)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630178	1	34	-1.0	-58.23	284.25	-1.78	-60.01
C=CN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630179	0	32	-1.0	-52.58	265.60	0.43	-52.15
C=CN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630179	1	32	-1.0	-52.57	265.52	0.42	-52.15
O=C(NC1=NC=CN1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630180	0	32	-1.0	-45.64	268.46	-0.26	-45.90
O=C(NC1=NC=CN1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630180	1	32	-1.0	-45.65	268.39	-0.28	-45.93
O=C(C(F)=CC1=CNC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630181	0	32	-1.0	-53.42	272.63	1.22	-52.20
O=C(C(F)=CC1=CNC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630181	1	32	-1.0	-53.38	272.69	1.22	-52.16
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1C	REAL250004630182	0	33	-1.0	-60.37	271.41	0.85	-59.52
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1C	REAL250004630182	1	33	-1.0	-60.40	271.46	0.87	-59.53
CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004630183	0	35	-1.0	-54.73	282.10	1.29	-53.44
CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004630183	1	35	-1.0	-54.73	282.17	1.31	-53.42
CN1NC(=O)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630184	0	32	-1.0	-46.30	264.70	-2.55	-48.85
CN1NC(=O)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630184	1	32	-1.0	-46.27	264.77	-2.54	-48.81
CN1C(=S)NN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630185	0	31	-1.0	-43.22	269.73	0.93	-42.29
CN1C(=S)NN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630185	1	31	-1.0	-43.21	269.80	0.94	-42.27
CCC1(C)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630186	0	38	-1.0	-54.65	295.01	2.63	-52.02
CCC1(C)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630186	1	38	-1.0	-54.63	295.08	2.64	-51.99
O=C(C[C@@H]1CCC[C@H]1O)N1CCOCC1C1=N[N-]N=N1	REAL250004630187	0	38	-1.0	-55.07	294.95	-1.08	-56.15
O=C(C[C@@H]1CCC[C@H]1O)N1CCOCC1C1=NN=N[N-]1	REAL250004630187	1	38	-1.0	-55.10	295.02	-1.07	-56.17
O=C(C[C@@H]1COC[C@H]1O)N1CCOCC1C1=N[N-]N=N1	REAL250004630188	0	36	-1.0	-58.75	285.33	-3.62	-62.37
O=C(C[C@@H]1COC[C@H]1O)N1CCOCC1C1=NN=N[N-]1	REAL250004630188	1	36	-1.0	-58.76	285.40	-3.61	-62.37
C#CC[C@]1(O)C[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630189	0	37	-1.0	-57.80	299.20	0.55	-57.25
C#CC[C@]1(O)C[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630189	1	37	-1.0	-57.83	299.27	0.57	-57.26
O=C(CC1CCC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630190	0	36	-1.0	-59.66	286.61	1.38	-58.28
O=C(CC1CCC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630190	1	36	-1.0	-59.69	286.68	1.39	-58.30
CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CN=C1	REAL250004630191	0	37	-1.0	-56.44	296.05	2.57	-53.87
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CN=C1	REAL250004630191	1	37	-1.0	-56.43	296.12	2.58	-53.85
CCC(F)(F)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630192	0	33	-1.0	-60.04	271.54	1.35	-58.69
CCC(F)(F)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630192	1	33	-1.0	-60.07	271.61	1.38	-58.69
O=C(C1CCC2(C1)N=N2)N1CCOCC1C1=N[N-]N=N1	REAL250004630193	0	34	-1.0	-56.71	271.86	-3.78	-60.49
O=C(C1CCC2(C1)N=N2)N1CCOCC1C1=NN=N[N-]1	REAL250004630193	1	34	-1.0	-56.74	271.94	-3.76	-60.50
C=CCC(C)(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630194	0	40	-1.0	-50.39	302.09	2.67	-47.72
C=CCC(C)(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630194	1	40	-1.0	-50.39	302.16	2.70	-47.69
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)OC	REAL250004630195	0	37	-1.0	-52.30	288.55	0.84	-51.46
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)OC	REAL250004630195	1	37	-1.0	-52.31	288.61	0.85	-51.46
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1CCC1	REAL250004630196	0	43	-1.0	-52.47	320.04	3.73	-48.74
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC1	REAL250004630196	1	43	-1.0	-52.46	320.10	3.73	-48.73
O=C(C1CC2CCC(C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630197	0	41	-1.0	-44.48	279.84	2.77	-41.71
O=C(C1CC2CCC(C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630197	1	41	-1.0	-44.48	279.90	2.78	-41.70
CC1(C)C(=O)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630198	0	36	-1.0	-48.86	283.68	1.01	-47.85
CC1(C)C(=O)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630198	1	36	-1.0	-48.88	283.73	1.03	-47.85
CC(C)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630199	0	37	-1.0	-53.59	291.77	2.42	-51.17
CC(C)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630199	1	37	-1.0	-53.62	291.85	2.43	-51.19
CCCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC=N1	REAL250004630200	0	36	-1.0	-50.95	291.40	-1.06	-52.01
CCCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC=N1	REAL250004630200	1	36	-1.0	-50.92	291.46	-1.05	-51.97
CC1=CC=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630201	0	36	-1.0	-55.96	295.14	1.27	-54.69
CC1=CC=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630201	1	36	-1.0	-55.95	295.19	1.28	-54.67
O=C(C1=CNC(Cl)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630202	0	28	-1.0	-48.92	251.68	-0.11	-49.03
O=C(C1=CNC(Cl)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630202	1	28	-1.0	-48.89	251.74	-0.10	-48.99
O=C(C1=C2C=CNC2=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630203	0	34	-1.0	-58.82	276.85	-0.26	-59.08
O=C(C1=C2C=CNC2=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630203	1	34	-1.0	-58.81	276.77	-0.26	-59.07
O=CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004630204	0	34	-1.0	-57.01	288.19	-0.04	-57.05
O=CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004630204	1	34	-1.0	-57.04	288.26	-0.01	-57.05
CCCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004630205	0	38	-1.0	-54.28	304.00	2.01	-52.27
CCCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004630205	1	38	-1.0	-54.31	304.07	2.02	-52.29
O=C([C@@H]1CC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630206	0	35	-1.0	-51.99	273.03	2.04	-49.95
O=C([C@@H]1CC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630206	1	35	-1.0	-51.99	273.10	2.05	-49.94
O=C(CC1CC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630207	0	33	-1.0	-56.74	270.72	0.82	-55.92
O=C(CC1CC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630207	1	33	-1.0	-56.76	270.78	0.83	-55.93
CN(C)C(=O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630208	0	31	-1.0	-43.63	249.95	-1.72	-45.35
CN(C)C(=O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630208	1	31	-1.0	-43.63	250.02	-1.71	-45.34
COC(=O)C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630209	0	33	-1.0	-61.46	268.44	0.82	-60.64
COC(=O)C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630209	1	33	-1.0	-61.45	268.50	0.82	-60.63
CCC1=CSC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630210	0	34	-1.0	-52.96	280.31	2.01	-50.95
CCC1=CSC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630210	1	34	-1.0	-53.00	280.37	2.04	-50.96
CC(C)C1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630211	0	40	-1.0	-54.08	307.38	2.81	-51.27
CC(C)C1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630211	1	40	-1.0	-54.10	307.45	2.82	-51.28
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NNC1=O	REAL250004630212	0	33	-1.0	-47.33	278.17	-1.87	-49.20
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NNC1=O	REAL250004630212	1	33	-1.0	-47.33	278.24	-1.87	-49.20
CC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL250004630213	0	32	-1.0	-59.20	268.93	0.08	-59.12
CC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL250004630213	1	32	-1.0	-59.15	269.00	0.08	-59.07
CN1C=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL250004630214	0	33	-1.0	-60.74	271.79	0.24	-60.50
CN1C=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL250004630214	1	33	-1.0	-60.74	271.72	0.22	-60.52
O=C(C=CC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630215	0	35	-1.0	-54.20	288.21	3.32	-50.88
O=C(C=CC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630215	1	35	-1.0	-54.14	288.26	3.32	-50.82
CC1(CCC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004630216	0	33	-1.0	-46.73	273.40	-3.69	-50.42
CC1(CCC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004630216	1	33	-1.0	-46.75	273.47	-3.67	-50.42
CC(C)(C)OC(=O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630217	0	39	-1.0	-60.90	306.60	2.42	-58.48
CC(C)(C)OC(=O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630217	1	39	-1.0	-60.90	306.66	2.45	-58.45
CC(C)(C)C(=O)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630218	0	41	-1.0	-47.72	321.81	2.19	-45.53
CC(C)(C)C(=O)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630218	1	41	-1.0	-47.69	321.88	2.21	-45.48
O=C(C1=CN=CC(F)=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630219	0	29	-1.0	-46.75	251.46	-1.26	-48.01
O=C(C1=CN=CC(F)=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630219	1	29	-1.0	-46.77	251.39	-1.26	-48.03
CC1=NC(C#N)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630220	0	34	-1.0	-50.25	288.64	0.91	-49.34
CC1=NC(C#N)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630220	1	34	-1.0	-50.25	288.69	0.93	-49.32
O=C(C1=CC2=CC=CC=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630221	0	36	-1.0	-56.47	290.01	3.42	-53.05
O=C(C1=CC2=CC=CC=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630221	1	36	-1.0	-56.49	290.07	3.43	-53.06
CC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630222	0	33	-1.0	-54.57	270.80	1.44	-53.13
CC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630222	1	33	-1.0	-54.59	270.86	1.45	-53.14
CC1(F)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630223	0	34	-1.0	-49.18	273.67	1.60	-47.58
CC1(F)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630223	1	34	-1.0	-49.19	273.73	1.60	-47.59
CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630224	0	31	-1.0	-54.45	264.67	1.03	-53.42
CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630224	1	31	-1.0	-54.46	264.74	1.03	-53.43
C=CCC(CC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630225	0	43	-1.0	-52.13	327.86	3.49	-48.64
C=CCC(CC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630225	1	43	-1.0	-52.14	327.92	3.50	-48.64
CC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004630226	0	35	-1.0	-58.69	273.75	0.67	-58.02
CC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004630226	1	35	-1.0	-58.71	273.82	0.68	-58.03
C[C@@H]1C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C[C@H](C)O1	REAL250004630227	0	41	-1.0	-54.42	313.79	1.23	-53.19
C[C@@H]1C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C[C@H](C)O1	REAL250004630227	1	41	-1.0	-54.44	313.86	1.23	-53.21
O=C(C1CC2(CC2F)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630228	0	35	-1.0	-56.63	285.12	2.42	-54.21
O=C(C1CC2(CC2F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630228	1	35	-1.0	-56.64	285.19	2.43	-54.21
O=C(C[C@@H]1CC=CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630229	0	38	-1.0	-53.06	291.97	2.83	-50.23
O=C(C[C@@H]1CC=CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630229	1	38	-1.0	-53.14	292.04	2.84	-50.30
CCC1=CNC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630230	0	35	-1.0	-56.67	282.46	1.38	-55.29
CCC1=CNC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630230	1	35	-1.0	-56.72	282.53	1.39	-55.33
COCCOCC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630231	0	39	-1.0	-59.06	320.69	-0.32	-59.38
COCCOCC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630231	1	39	-1.0	-59.11	320.74	-0.31	-59.42
O=C(C=CC1CCCO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630232	0	36	-1.0	-55.14	288.48	0.66	-54.48
O=C(C=CC1CCCO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630232	1	36	-1.0	-55.11	288.53	0.66	-54.45
CC1=CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630233	0	38	-1.0	-51.73	293.33	2.55	-49.18
CC1=CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630233	1	38	-1.0	-51.74	293.41	2.57	-49.17
CC[C@H](CC(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C	REAL250004630234	0	42	-1.0	-51.79	307.26	2.81	-48.98
CC[C@H](CC(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C	REAL250004630234	1	42	-1.0	-51.77	307.32	2.82	-48.95
CC1=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)SC=C1	REAL250004630235	0	34	-1.0	-51.85	288.32	2.34	-49.51
CC1=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)SC=C1	REAL250004630235	1	34	-1.0	-51.88	288.38	2.36	-49.52
O=C(CC12CC(C1)C2)N1CCOCC1C1=N[N-]N=N1	REAL250004630236	0	35	-1.0	-54.56	273.91	2.38	-52.18
O=C(CC12CC(C1)C2)N1CCOCC1C1=NN=N[N-]1	REAL250004630236	1	35	-1.0	-54.51	273.98	2.38	-52.13
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=NC=N1	REAL250004630237	0	36	-1.0	-49.43	288.44	2.46	-46.97
CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=NC=N1	REAL250004630237	1	36	-1.0	-49.43	288.36	2.45	-46.98
CCC=CC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630238	0	35	-1.0	-53.16	288.11	2.61	-50.55
CCC=CC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630238	1	35	-1.0	-53.14	288.17	2.62	-50.52
O=C(C1=CN2N=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630239	0	34	-1.0	-57.79	279.93	1.38	-56.41
O=C(C1=CN2N=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630239	1	34	-1.0	-57.80	279.86	1.36	-56.44
CCN1C(=O)CCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630240	0	38	-1.0	-58.89	295.32	0.77	-58.12
CCN1C(=O)CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630240	1	38	-1.0	-58.97	295.38	0.77	-58.20
O=C(CC1CC=CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630241	0	35	-1.0	-53.64	275.74	2.21	-51.43
O=C(CC1CC=CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630241	1	35	-1.0	-53.63	275.81	2.24	-51.39
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1	REAL250004630242	0	32	-1.0	-61.41	260.74	0.06	-61.35
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1	REAL250004630242	1	32	-1.0	-61.42	260.67	0.06	-61.36
O=C(C1CCOC(=O)CC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630243	0	37	-1.0	-59.43	285.35	0.99	-58.44
O=C(C1CCOC(=O)CC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630243	1	37	-1.0	-59.41	285.43	1.00	-58.41
O=C(CCCCCF)N1CCOCC1C1=N[N-]N=N1	REAL250004630244	0	36	-1.0	-54.80	290.83	2.14	-52.66
O=C(CCCCCF)N1CCOCC1C1=NN=N[N-]1	REAL250004630244	1	36	-1.0	-54.79	290.89	2.17	-52.62
CCN1N=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL250004630245	0	36	-1.0	-48.24	291.61	-0.07	-48.31
CCN1N=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL250004630245	1	36	-1.0	-48.21	291.68	-0.04	-48.25
O=C(C1CC(=O)CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630246	0	31	-1.0	-54.63	255.14	-0.85	-55.48
O=C(C1CC(=O)CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630246	1	31	-1.0	-54.62	255.19	-0.84	-55.46
CC1=NN=NN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630247	0	32	-1.0	-62.20	269.67	-1.01	-63.21
CC1=NN=NN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630247	1	32	-1.0	-62.20	269.75	-0.98	-63.18
CN1N=NC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630248	0	33	-1.0	-59.61	274.08	-1.01	-60.62
CN1N=NC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630248	1	33	-1.0	-59.62	274.15	-1.00	-60.62
O=C(N1CCOCC1C1=N[N-]N=N1)[C@]12C[C@H]1[C@H](F)C2	REAL250004630249	0	32	-1.0	-57.34	262.86	1.54	-55.80
O=C(N1CCOCC1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL250004630249	1	32	-1.0	-57.36	262.93	1.55	-55.81
O=C(C1=NC=C(F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630250	0	29	-1.0	-53.15	253.76	-0.44	-53.59
O=C(C1=NC=C(F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630250	1	29	-1.0	-53.16	253.69	-0.45	-53.61
CC1(C)COCCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630251	0	41	-1.0	-54.64	297.30	0.82	-53.82
CC1(C)COCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630251	1	41	-1.0	-54.62	297.37	0.84	-53.78
CC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL250004630252	0	32	-1.0	-59.49	272.00	-1.35	-60.84
CC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL250004630252	1	32	-1.0	-59.48	272.07	-1.33	-60.81
O=C(C1=CC=C2C=COC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630253	0	34	-1.0	-58.97	280.02	1.92	-57.05
O=C(C1=CC=C2C=COC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630253	1	34	-1.0	-59.02	279.95	1.91	-57.11
C#CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630254	0	33	-1.0	-58.67	280.21	2.77	-55.90
C#CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630254	1	33	-1.0	-58.66	280.14	2.76	-55.90
CCN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C	REAL250004630255	0	37	-1.0	-56.45	298.51	1.47	-54.98
CCN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C	REAL250004630255	1	37	-1.0	-56.44	298.57	1.48	-54.96
CCCN1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630256	0	38	-1.0	-52.89	298.87	2.74	-50.15
CCCN1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630256	1	38	-1.0	-52.84	298.94	2.76	-50.08
O=C(CC1CC2CC2C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630257	0	38	-1.0	-53.96	293.43	3.07	-50.89
O=C(CC1CC2CC2C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630257	1	38	-1.0	-53.96	293.50	3.09	-50.87
O=C(C1=CCCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630258	0	33	-1.0	-52.83	256.23	-0.64	-53.47
O=C(C1=CCCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630258	1	33	-1.0	-52.82	256.28	-0.62	-53.44
CCC1=NON=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630259	0	32	-1.0	-42.22	266.39	0.41	-41.81
CCC1=NON=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630259	1	32	-1.0	-42.21	266.44	0.42	-41.79
O=C(C1=CN(CCO)N=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630260	0	34	-1.0	-48.48	286.27	-3.96	-52.44
O=C(C1=CN(CCO)N=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630260	1	34	-1.0	-48.46	286.20	-3.96	-52.42
O=C(CC1CC2(CCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630261	0	41	-1.0	-54.11	316.53	3.60	-50.51
O=C(CC1CC2(CCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630261	1	41	-1.0	-54.14	316.60	3.62	-50.52
O=C(C1=NOC(CF)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630262	0	30	-1.0	-49.80	258.79	0.61	-49.19
O=C(C1=NOC(CF)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630262	1	30	-1.0	-49.77	258.85	0.63	-49.14
CN1C=C(OCC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL250004630263	0	35	-1.0	-58.21	293.94	0.22	-57.99
CN1C=C(OCC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL250004630263	1	35	-1.0	-58.21	293.87	0.21	-58.00
CCC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630264	0	33	-1.0	-45.58	273.68	0.68	-44.90
CCC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630264	1	33	-1.0	-45.58	273.73	0.70	-44.88
O=C(C=CC1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630265	0	34	-1.0	-53.64	283.54	1.50	-52.14
O=C(C=CC1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630265	1	34	-1.0	-53.64	283.60	1.51	-52.13
O=C(C1CC(C2CC2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630266	0	36	-1.0	-62.55	294.40	1.71	-60.84
O=C(C1CC(C2CC2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630266	1	36	-1.0	-62.57	294.47	1.73	-60.84
O=C(C1COC(=O)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004630267	0	29	-1.0	-62.88	246.10	-0.15	-63.03
O=C(C1COC(=O)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004630267	1	29	-1.0	-62.89	246.16	-0.14	-63.03
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCOC1	REAL250004630268	0	38	-1.0	-53.44	292.12	0.04	-53.40
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCOC1	REAL250004630268	1	38	-1.0	-53.48	292.19	0.05	-53.43
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCOCC1C1=N[N-]N=N1	REAL250004630269	0	35	-1.0	-53.50	269.23	2.03	-51.47
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCOCC1C1=NN=N[N-]1	REAL250004630269	1	35	-1.0	-53.52	269.30	2.05	-51.47
O=C(C1COC2COCC21)N1CCOCC1C1=N[N-]N=N1	REAL250004630270	0	37	-1.0	-55.60	278.92	-1.78	-57.38
O=C(C1COC2COCC21)N1CCOCC1C1=NN=N[N-]1	REAL250004630270	1	37	-1.0	-55.59	278.99	-1.77	-57.36
CC1CCOC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630271	0	38	-1.0	-57.79	290.29	0.95	-56.84
CC1CCOC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630271	1	38	-1.0	-57.80	290.36	0.97	-56.83
C=C1CC2(C1)CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL250004630272	0	39	-1.0	-52.56	308.57	3.33	-49.23
C=C1CC2(C1)CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL250004630272	1	39	-1.0	-52.54	308.64	3.35	-49.19
O=C(C1CCC2C1C2(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004630273	0	35	-1.0	-57.33	277.36	2.05	-55.28
O=C(C1CCC2C1C2(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004630273	1	35	-1.0	-57.32	277.39	2.08	-55.24
O=C(CC12CCC(CC1)C2)N1CCOCC1C1=N[N-]N=N1	REAL250004630274	0	41	-1.0	-54.10	303.72	3.21	-50.89
O=C(CC12CCC(CC1)C2)N1CCOCC1C1=NN=N[N-]1	REAL250004630274	1	41	-1.0	-54.11	303.79	3.22	-50.89
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004630275	0	32	-1.0	-55.51	261.08	0.50	-55.01
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004630275	1	32	-1.0	-55.51	261.01	0.50	-55.01
CCCOCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630276	0	40	-1.0	-55.86	318.26	1.28	-54.58
CCCOCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630276	1	40	-1.0	-55.84	318.33	1.30	-54.54
CN1N=CC(C#N)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630277	0	32	-1.0	-52.68	282.95	-0.08	-52.76
CN1N=CC(C#N)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630277	1	32	-1.0	-52.68	282.89	-0.09	-52.77
CC(C)C(C)C(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630278	0	45	-1.0	-51.24	325.93	3.19	-48.05
CC(C)C(C)C(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630278	1	45	-1.0	-51.25	326.01	3.21	-48.04
CO[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004630279	0	36	-1.0	-58.94	288.93	0.47	-58.47
CO[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004630279	1	36	-1.0	-58.96	289.00	0.49	-58.47
CC1(C)CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CO1	REAL250004630280	0	41	-1.0	-50.34	305.14	0.82	-49.52
CC1(C)CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CO1	REAL250004630280	1	41	-1.0	-50.32	305.21	0.83	-49.49
CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCCO1	REAL250004630281	0	38	-1.0	-56.46	290.90	1.30	-55.16
CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCCO1	REAL250004630281	1	38	-1.0	-56.45	290.97	1.33	-55.12
O=C(C1=NC2=CC=CNC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630282	0	34	-1.0	-72.37	281.41	0.82	-71.55
O=C(C1=NC2=CC=CNC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630282	1	34	-1.0	-72.37	281.36	0.80	-71.57
O=C(C1C2C3CC1C(=O)C32)N1CCOCC1C1=N[N-]N=N1	REAL250004630283	0	35	-1.0	-62.95	278.02	1.51	-61.44
O=C(C1C2C3CC1C(=O)C32)N1CCOCC1C1=NN=N[N-]1	REAL250004630283	1	35	-1.0	-62.96	278.09	1.52	-61.44
COCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL250004630284	0	36	-1.0	-55.61	293.54	-0.37	-55.98
COCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL250004630284	1	36	-1.0	-55.59	293.62	-0.35	-55.94
O=C(CC1CC2(CC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630285	0	38	-1.0	-53.93	299.96	3.15	-50.78
O=C(CC1CC2(CC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630285	1	38	-1.0	-53.97	300.03	3.16	-50.81
CC1=NN(C)C(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630286	0	37	-1.0	-56.91	302.64	0.76	-56.15
CC1=NN(C)C(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630286	1	37	-1.0	-56.90	302.71	0.79	-56.11
CCC(C)CC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630287	0	42	-1.0	-52.71	314.30	2.72	-49.99
CCC(C)CC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630287	1	42	-1.0	-52.71	314.38	2.73	-49.98
CC1(C)CC2(CC2C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630288	0	41	-1.0	-54.14	317.95	3.47	-50.67
CC1(C)CC2(CC2C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630288	1	41	-1.0	-54.15	318.02	3.48	-50.67
O=C(C1CCCC12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL250004630289	0	41	-1.0	-54.56	301.44	3.33	-51.23
O=C(C1CCCC12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL250004630289	1	41	-1.0	-54.56	301.51	3.35	-51.21
O=C([C@H]1CC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004630290	0	28	-1.0	-55.41	241.48	0.59	-54.82
O=C([C@H]1CC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004630290	1	28	-1.0	-55.43	241.57	0.59	-54.84
CC12CC(CC(=O)N3CCOCC3C3=N[N-]N=N3)(C1)CO2	REAL250004630291	0	39	-1.0	-57.89	302.48	0.89	-57.00
CC12CC(CC(=O)N3CCOCC3C3=NN=N[N-]3)(C1)CO2	REAL250004630291	1	39	-1.0	-57.89	302.56	0.90	-56.99
C[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004630292	0	35	-1.0	-54.67	276.56	2.13	-52.54
C[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004630292	1	35	-1.0	-54.65	276.63	2.17	-52.48
CC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C#N	REAL250004630293	0	34	-1.0	-51.08	288.02	0.58	-50.50
CC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C#N	REAL250004630293	1	34	-1.0	-51.07	288.09	0.58	-50.49
O=C([C@@H]1CCC(=O)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004630294	0	31	-1.0	-67.28	256.00	0.69	-66.59
O=C([C@@H]1CCC(=O)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004630294	1	31	-1.0	-67.33	256.07	0.71	-66.62
O=C(C(F)C1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630295	0	34	-1.0	-51.89	268.63	1.78	-50.11
O=C(C(F)C1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630295	1	34	-1.0	-51.90	268.70	1.79	-50.11
O=C(C(F)C1CCOC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630296	0	35	-1.0	-49.58	276.56	-0.28	-49.86
O=C(C(F)C1CCOC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630296	1	35	-1.0	-49.58	276.63	-0.27	-49.85
CCC1(C)CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL250004630297	0	41	-1.0	-59.20	310.74	1.95	-57.25
CCC1(C)CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004630297	1	41	-1.0	-59.24	310.80	1.96	-57.28
O=C(C1CC2(CCC2)CO1)N1CCOCC1C1=N[N-]N=N1	REAL250004630298	0	39	-1.0	-58.22	300.10	1.74	-56.48
O=C(C1CC2(CCC2)CO1)N1CCOCC1C1=NN=N[N-]1	REAL250004630298	1	39	-1.0	-58.19	300.17	1.74	-56.45
O=C(C1CC2(CC(F)C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630299	0	38	-1.0	-53.79	301.39	2.83	-50.96
O=C(C1CC2(CC(F)C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630299	1	38	-1.0	-53.80	301.45	2.85	-50.95
O=C(N1CCOCC1C1=N[N-]N=N1)C12CC(C1)OC2	REAL250004630300	0	33	-1.0	-51.17	258.10	-0.58	-51.75
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC(C1)OC2	REAL250004630300	1	33	-1.0	-51.21	258.15	-0.57	-51.78
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630301	0	33	-1.0	-51.28	275.93	-2.52	-53.80
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630301	1	33	-1.0	-51.32	276.00	-2.51	-53.83
[N-]=[N+]=NC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630302	0	36	-1.0	-50.56	289.28	-1.95	-52.51
[N-]=[N+]=NC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630302	1	36	-1.0	-50.57	289.34	-1.94	-52.51
COC1=CN=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630303	0	33	-1.0	-51.11	275.05	-1.48	-52.59
COC1=CN=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630303	1	33	-1.0	-51.12	274.98	-1.49	-52.61
C[C@H]1C(C(=O)N2CCOCC2C2=N[N-]N=N2)[C@H]1C	REAL250004630304	0	34	-1.0	-53.47	266.76	1.80	-51.67
C[C@H]1C(C(=O)N2CCOCC2C2=NN=N[N-]2)[C@H]1C	REAL250004630304	1	34	-1.0	-53.53	266.81	1.80	-51.73
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630305	0	34	-1.0	-49.63	282.87	1.97	-47.66
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630305	1	34	-1.0	-49.66	282.94	1.98	-47.68
CC1CC(=O)NCC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630306	0	38	-1.0	-61.89	282.22	-1.15	-63.04
CC1CC(=O)NCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630306	1	38	-1.0	-61.91	282.28	-1.14	-63.05
CC1(C)C(C)(C)C1(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630307	0	40	-1.0	-50.94	298.02	2.39	-48.55
CC1(C)C(C)(C)C1(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630307	1	40	-1.0	-50.99	298.05	2.41	-48.58
COC1(C#N)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630308	0	36	-1.0	-54.46	297.26	-0.01	-54.47
COC1(C#N)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630308	1	36	-1.0	-54.48	297.33	0.00	-54.48
C[C@@H]1OCC[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630309	0	35	-1.0	-54.43	267.90	-0.16	-54.59
C[C@@H]1OCC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630309	1	35	-1.0	-54.43	267.96	-0.14	-54.57
CC1(C)CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)CO1	REAL250004630310	0	41	-1.0	-55.90	315.91	1.23	-54.67
CC1(C)CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)CO1	REAL250004630310	1	41	-1.0	-55.89	315.97	1.23	-54.66
O=C(C1CCCCC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630311	0	39	-1.0	-49.33	294.54	1.59	-47.74
O=C(C1CCCCC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630311	1	39	-1.0	-49.35	294.61	1.60	-47.75
O=C(C1CCC2(CCC2)O1)N1CCOCC1C1=N[N-]N=N1	REAL250004630312	0	39	-1.0	-60.17	300.93	1.98	-58.19
O=C(C1CCC2(CCC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL250004630312	1	39	-1.0	-60.15	300.99	1.99	-58.16
CC1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630313	0	43	-1.0	-52.32	311.32	3.02	-49.30
CC1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630313	1	43	-1.0	-52.33	311.39	3.02	-49.31
O=C([C@@H]1CC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004630314	0	28	-1.0	-55.17	240.81	0.62	-54.55
O=C([C@@H]1CC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004630314	1	28	-1.0	-55.17	240.87	0.63	-54.54
O=C([C@@H]1C[C@@H]1C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL250004630315	0	31	-1.0	-53.72	256.95	1.41	-52.31
O=C([C@@H]1C[C@@H]1C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL250004630315	1	31	-1.0	-53.73	257.02	1.43	-52.30
CC1=C(Cl)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1	REAL250004630316	0	31	-1.0	-54.49	271.69	-0.29	-54.78
CC1=C(Cl)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1	REAL250004630316	1	31	-1.0	-54.49	271.76	-0.28	-54.77
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=N[N-]N=N3)C[C@@H]12	REAL250004630317	0	34	-1.0	-55.98	287.20	-1.84	-57.82
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCOCC3C3=NN=N[N-]3)C[C@@H]12	REAL250004630317	1	34	-1.0	-55.98	287.26	-1.83	-57.81
CC(C)C1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630318	0	38	-1.0	-62.78	303.62	1.45	-61.33
CC(C)C1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630318	1	38	-1.0	-62.78	303.69	1.46	-61.32
CC(C)(C#N)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630319	0	37	-1.0	-59.14	295.75	1.75	-57.39
CC(C)(C#N)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630319	1	37	-1.0	-59.15	295.82	1.78	-57.37
[N-]=[N+]=NCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630320	0	29	-1.0	-47.70	249.87	-3.71	-51.41
[N-]=[N+]=NCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630320	1	29	-1.0	-47.68	249.94	-3.68	-51.36
[N-]=[N+]=NCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630321	0	32	-1.0	-54.62	271.37	-2.91	-57.53
[N-]=[N+]=NCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630321	1	32	-1.0	-54.63	271.44	-2.88	-57.51
CCOCC(N=[N+]=[N-])C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630322	0	36	-1.0	-50.58	300.86	-3.71	-54.29
CCOCC(N=[N+]=[N-])C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630322	1	36	-1.0	-50.60	300.93	-3.69	-54.29
O=C(C1CC(C2CCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630323	0	41	-1.0	-54.42	314.55	3.54	-50.88
O=C(C1CC(C2CCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630323	1	41	-1.0	-54.43	314.62	3.55	-50.88
CNC(=O)NC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630324	0	36	-1.0	-48.14	291.88	-3.40	-51.54
CNC(=O)NC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630324	1	36	-1.0	-48.16	291.95	-3.40	-51.56
CNC(=O)N[C@@H](C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630325	0	36	-1.0	-48.28	292.07	-3.40	-51.68
CNC(=O)N[C@@H](C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630325	1	36	-1.0	-48.28	292.13	-3.38	-51.66
CNC(=O)N[C@H](C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630326	0	36	-1.0	-48.34	289.23	-3.48	-51.82
CNC(=O)N[C@H](C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630326	1	36	-1.0	-48.33	289.29	-3.48	-51.81
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)CCS1	REAL250004630327	0	38	-1.0	-51.82	298.48	2.54	-49.28
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)CCS1	REAL250004630327	1	38	-1.0	-51.82	298.55	2.55	-49.27
CC(C)(F)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630328	0	36	-1.0	-51.12	285.24	1.78	-49.34
CC(C)(F)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630328	1	36	-1.0	-51.13	285.32	1.80	-49.33
COC1CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630329	0	41	-1.0	-55.82	322.93	1.48	-54.34
COC1CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630329	1	41	-1.0	-55.80	323.00	1.50	-54.30
CCCCC[C@@H](O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630330	0	43	-1.0	-56.66	336.35	1.05	-55.61
CCCCC[C@@H](O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630330	1	43	-1.0	-56.70	336.42	1.07	-55.63
CCC1=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL250004630331	0	36	-1.0	-49.30	290.75	1.89	-47.41
CCC1=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL250004630331	1	36	-1.0	-49.27	290.81	1.90	-47.37
O=C(C1CCCCNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630332	0	38	-1.0	-39.79	274.09	-1.28	-41.07
O=C(C1CCCCNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630332	1	38	-1.0	-39.75	274.16	-1.26	-41.01
O=C(CN1C=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630333	0	30	-1.0	-61.78	254.76	1.50	-60.28
O=C(CN1C=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630333	1	30	-1.0	-61.76	254.69	1.48	-60.28
COCC(C)(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630334	0	38	-1.0	-50.88	296.89	-1.56	-52.44
COCC(C)(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630334	1	38	-1.0	-50.86	296.97	-1.54	-52.40
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CS1	REAL250004630335	0	34	-1.0	-52.72	280.72	2.08	-50.64
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CS1	REAL250004630335	1	34	-1.0	-52.67	280.79	2.10	-50.57
CCC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630337	0	35	-1.0	-63.21	283.20	0.92	-62.29
CCC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630337	1	35	-1.0	-63.17	283.27	0.93	-62.24
O=C(C(F)C1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630338	0	38	-1.0	-50.47	292.75	0.66	-49.81
O=C(C(F)C1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630338	1	38	-1.0	-50.47	292.81	0.68	-49.79
CCC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL250004630339	0	36	-1.0	-55.02	292.13	2.17	-52.85
CCC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL250004630339	1	36	-1.0	-55.02	292.20	2.17	-52.85
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SN=C1	REAL250004630340	0	30	-1.0	-48.71	261.09	-0.05	-48.76
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SN=C1	REAL250004630340	1	30	-1.0	-48.67	261.01	-0.05	-48.72
C#CCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630341	0	30	-1.0	-59.13	260.50	0.42	-58.71
C#CCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630341	1	30	-1.0	-59.15	260.57	0.42	-58.73
O=C([C@H]1CC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL250004630342	0	29	-1.0	-57.60	244.38	-3.71	-61.31
O=C([C@H]1CC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL250004630342	1	29	-1.0	-57.60	244.45	-3.69	-61.29
CC1(C)NC(=O)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630343	0	38	-1.0	-53.86	291.53	-1.79	-55.65
CC1(C)NC(=O)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630343	1	38	-1.0	-53.85	291.60	-1.78	-55.63
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCOCC1C1=N[N-]N=N1	REAL250004630344	0	36	-1.0	-58.05	281.82	-1.63	-59.68
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCOCC1C1=NN=N[N-]1	REAL250004630344	1	36	-1.0	-58.07	281.89	-1.62	-59.69
CC1CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(C)O1	REAL250004630345	0	41	-1.0	-51.09	310.72	1.11	-49.98
CC1CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(C)O1	REAL250004630345	1	41	-1.0	-51.11	310.78	1.14	-49.97
O=C(C1=COC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630346	0	28	-1.0	-53.58	251.86	0.31	-53.27
O=C(C1=COC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630346	1	28	-1.0	-53.56	251.93	0.32	-53.24
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC(F)=C1	REAL250004630347	0	31	-1.0	-47.77	270.48	1.41	-46.36
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC(F)=C1	REAL250004630347	1	31	-1.0	-47.76	270.55	1.41	-46.35
O=C(C1C2C3CC1CC32)N1CCOCC1C1=N[N-]N=N1	REAL250004630348	0	36	-1.0	-55.01	273.83	2.35	-52.66
O=C(C1C2C3CC1CC32)N1CCOCC1C1=NN=N[N-]1	REAL250004630348	1	36	-1.0	-55.01	273.89	2.36	-52.65
CC(C)CCCOCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004630349	0	43	-1.0	-56.23	336.78	2.75	-53.48
CC(C)CCCOCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004630349	1	43	-1.0	-56.24	336.85	2.76	-53.48
O=C(C=CC1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL250004630350	0	35	-1.0	-53.32	280.68	2.39	-50.93
O=C(C=CC1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004630350	1	35	-1.0	-53.33	280.75	2.41	-50.92
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN1C	REAL250004630351	0	35	-1.0	-56.98	280.37	1.75	-55.23
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN1C	REAL250004630351	1	35	-1.0	-56.93	280.43	1.77	-55.16
O=C(CC1=CN=NS1)N1CCOCC1C1=N[N-]N=N1	REAL250004630352	0	29	-1.0	-54.40	258.85	-0.69	-55.09
O=C(CC1=CN=NS1)N1CCOCC1C1=NN=N[N-]1	REAL250004630352	1	29	-1.0	-54.43	258.91	-0.69	-55.12
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004630354	0	38	-1.0	-54.62	307.34	3.99	-50.63
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004630354	1	38	-1.0	-54.65	307.40	4.01	-50.64
COC(=O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004630355	0	35	-1.0	-53.99	309.13	1.24	-52.75
COC(=O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004630355	1	35	-1.0	-54.01	309.19	1.25	-52.76
O=C(NC1CC2(CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630356	0	36	-1.0	-53.19	302.79	6.19	-47.00
O=C(NC1CC2(CC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630356	1	36	-1.0	-53.01	302.89	6.21	-46.80
O=C(NC1CC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630357	0	33	-1.0	-35.00	289.01	3.08	-31.92
O=C(NC1CC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630357	1	33	-1.0	-34.98	289.08	3.08	-31.90
COC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004630358	0	38	-1.0	-51.28	327.67	0.96	-50.32
COC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004630358	1	38	-1.0	-51.26	327.73	0.97	-50.29
O=C(NC1CCCC12CC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630359	0	39	-1.0	-53.25	317.47	7.07	-46.18
O=C(NC1CCCC12CC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630359	1	39	-1.0	-53.10	317.57	7.07	-46.03
O=C(NC1CCCC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630360	0	36	-1.0	-35.03	303.73	3.92	-31.11
O=C(NC1CCCC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630360	1	36	-1.0	-35.04	303.80	3.93	-31.11
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630361	0	34	-1.0	-53.61	288.50	-0.06	-53.67
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630361	1	34	-1.0	-53.41	288.56	-0.04	-53.45
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630362	0	31	-1.0	-38.70	273.82	-3.20	-41.90
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630362	1	31	-1.0	-38.65	273.89	-3.19	-41.84
O=C(CCCC1=N[N-]N=N1)N1CCC(CCF)CC1	REAL250004630363	0	38	-1.0	-48.67	302.48	5.02	-43.65
O=C(CCCC1=NN=N[N-]1)N1CCC(CCF)CC1	REAL250004630363	1	38	-1.0	-48.68	302.54	5.03	-43.65
CC1(C)CC[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630364	0	42	-1.0	-50.08	323.00	1.84	-48.24
CC1(C)CC[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630364	1	42	-1.0	-50.10	323.05	1.86	-48.24
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCN(C)C1=O	REAL250004630365	0	42	-1.0	-56.00	310.06	4.82	-51.18
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCN(C)C1=O	REAL250004630365	1	42	-1.0	-55.99	310.11	4.85	-51.14
CCON1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630367	0	38	-1.0	-47.37	309.11	2.38	-44.99
CCON1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630367	1	38	-1.0	-47.37	309.17	2.40	-44.97
COC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630368	0	32	-1.0	-50.53	277.56	0.87	-49.66
COC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630368	1	32	-1.0	-50.48	277.49	0.86	-49.62
COC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004630369	0	32	-1.0	-37.35	288.14	0.66	-36.69
COC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004630369	1	32	-1.0	-37.41	288.08	0.65	-36.76
C=CCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004630370	0	41	-1.0	-46.28	325.09	4.51	-41.77
C=CCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004630370	1	41	-1.0	-46.30	325.15	4.53	-41.77
COC1=CC(C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004630371	0	39	-1.0	-48.34	320.34	4.24	-44.10
COC1=CC(C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004630371	1	39	-1.0	-48.35	320.39	4.27	-44.08
CC1=CC(C)=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630372	0	36	-1.0	-47.78	304.80	2.04	-45.74
CC1=CC(C)=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630372	1	36	-1.0	-47.82	304.86	2.05	-45.77
CN(C(=O)CCCC1=N[N-]N=N1)C1=C2NC=CC2=CC=C1	REAL250004630373	0	36	-1.0	-50.77	307.59	5.14	-45.63
CN(C(=O)CCCC1=NN=N[N-]1)C1=C2NC=CC2=CC=C1	REAL250004630373	1	36	-1.0	-50.78	307.64	5.16	-45.62
CCOCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004630374	0	40	-1.0	-48.22	324.71	2.15	-46.07
CCOCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004630374	1	40	-1.0	-48.22	324.77	2.17	-46.05
CN(C)C1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630375	0	36	-1.0	-48.46	299.69	2.00	-46.46
CN(C)C1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630375	1	36	-1.0	-48.45	299.63	1.99	-46.46
COC(=O)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630376	0	41	-1.0	-48.88	321.76	5.66	-43.22
COC(=O)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630376	1	41	-1.0	-48.93	321.81	5.67	-43.26
C[C@@H]1[C@H](NC(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004630377	0	35	-1.0	-51.16	297.20	-0.25	-51.41
C[C@@H]1[C@H](NC(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004630377	1	35	-1.0	-51.18	297.25	-0.24	-51.42
CSC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630378	0	36	-1.0	-47.96	298.31	4.65	-43.31
CSC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630378	1	36	-1.0	-47.97	298.37	4.66	-43.31
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CO1	REAL250004630380	0	39	-1.0	-51.74	325.05	5.55	-46.19
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CO1	REAL250004630380	1	39	-1.0	-51.72	325.11	5.57	-46.15
CCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004630381	0	40	-1.0	-46.43	310.13	3.39	-43.04
CCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004630381	1	40	-1.0	-46.46	310.19	3.41	-43.05
CCC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630382	0	40	-1.0	-34.79	320.72	3.18	-31.61
CCC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630382	1	40	-1.0	-34.76	320.79	3.20	-31.56
CC1=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004630383	0	35	-1.0	-45.58	308.02	3.84	-41.74
CC1=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004630383	1	35	-1.0	-45.54	308.08	3.86	-41.68
O=C(CCCC1=N[N-]N=N1)NCCC(O)C(F)F	REAL250004630384	0	32	-1.0	-51.34	284.30	-0.97	-52.31
O=C(CCCC1=NN=N[N-]1)NCCC(O)C(F)F	REAL250004630384	1	32	-1.0	-51.35	284.36	-0.96	-52.31
O=C(NCCC(O)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630385	0	32	-1.0	-39.42	295.20	-1.23	-40.65
O=C(NCCC(O)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630385	1	32	-1.0	-39.35	295.27	-1.22	-40.57
CC1=NC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004630386	0	34	-1.0	-46.99	304.83	2.24	-44.75
CC1=NC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004630386	1	34	-1.0	-47.01	304.89	2.25	-44.76
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)F)CC1	REAL250004630387	0	36	-1.0	-52.92	296.51	3.20	-49.72
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)F)CC1	REAL250004630387	1	36	-1.0	-52.88	296.57	3.21	-49.67
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004630388	0	47	-1.0	-47.98	349.89	6.88	-41.10
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004630388	1	47	-1.0	-48.00	349.95	6.89	-41.11
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1C[C@@H](C(N)=O)C1	REAL250004630389	0	36	-1.0	-51.31	295.92	0.22	-51.09
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1C[C@@H](C(N)=O)C1	REAL250004630389	1	36	-1.0	-51.31	295.98	0.23	-51.08
C[C@@H]1C[C@H](O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630390	0	36	-1.0	-48.25	282.45	0.90	-47.35
C[C@@H]1C[C@H](O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630390	1	36	-1.0	-48.23	282.50	0.92	-47.31
C[C@@H]1C[C@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630391	0	36	-1.0	-36.40	290.71	1.06	-35.34
C[C@@H]1C[C@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630391	1	36	-1.0	-36.39	290.77	1.07	-35.32
CC12CC1(CNC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL250004630392	0	36	-1.0	-51.73	307.57	6.32	-45.41
CC12CC1(CNC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL250004630392	1	36	-1.0	-51.52	307.64	6.34	-45.18
CC12CC1(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004630393	0	33	-1.0	-34.68	293.41	3.24	-31.44
CC12CC1(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004630393	1	33	-1.0	-34.66	293.48	3.24	-31.42
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC1C1CC1	REAL250004630394	0	37	-1.0	-48.75	298.37	1.51	-47.24
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC1C1CC1	REAL250004630394	1	37	-1.0	-48.80	298.43	1.53	-47.27
O=C(NCC1CC(O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630395	0	36	-1.0	-56.11	303.60	1.99	-54.12
O=C(NCC1CC(O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630395	1	36	-1.0	-55.88	303.67	2.01	-53.87
O=C(NCC1CC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630396	0	33	-1.0	-37.03	289.45	-1.09	-38.12
O=C(NCC1CC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630396	1	33	-1.0	-37.03	289.51	-1.09	-38.12
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630397	0	36	-1.0	-55.93	303.55	1.99	-53.94
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630397	1	36	-1.0	-55.72	303.62	2.02	-53.70
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630398	0	33	-1.0	-37.03	289.45	-1.09	-38.12
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630398	1	33	-1.0	-37.02	289.51	-1.09	-38.11
O=C(CCCC1=N[N-]N=N1)NC1CCOCC1O	REAL250004630399	0	34	-1.0	-47.47	281.62	-2.04	-49.51
O=C(CCCC1=NN=N[N-]1)NC1CCOCC1O	REAL250004630399	1	34	-1.0	-47.50	281.68	-2.02	-49.52
O=C(NC1CCOCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630400	0	34	-1.0	-37.78	293.95	-2.74	-40.52
O=C(NC1CCOCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630400	1	34	-1.0	-37.75	294.02	-2.72	-40.47
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2N1	REAL250004630401	0	34	-1.0	-48.24	298.94	4.25	-43.99
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2N1	REAL250004630401	1	34	-1.0	-48.27	299.00	4.27	-44.00
O=C(CCCC1=NN=N[N-]1)NC1=C2N=COC2=CC=C1	REAL250004630402	0	31	-1.0	-49.12	274.20	0.29	-48.83
O=C(CCCC1=N[N-]N=N1)NC1=C2N=COC2=CC=C1	REAL250004630402	1	31	-1.0	-49.10	274.15	0.28	-48.82
CN(C)CC#CCNC(=O)CCCC1=NN=N[N-]1	REAL250004630403	1	35	-1.0	-45.85	303.89	0.81	-45.04
CN(C)CC#CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630404	1	38	-1.0	-51.58	328.58	3.67	-47.91
CN(C)CC#CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630405	1	35	-1.0	-35.76	314.49	0.59	-35.17
CC1=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004630406	0	36	-1.0	-50.36	306.27	2.97	-47.39
CC1=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004630406	1	36	-1.0	-50.37	306.33	2.98	-47.39
N#CC1=C(C2CC2)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004630407	0	34	-1.0	-50.52	307.26	3.57	-46.95
N#CC1=C(C2CC2)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004630407	1	34	-1.0	-50.55	307.32	3.58	-46.97
CN1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004630408	1	38	-1.0	-47.42	298.62	2.99	-44.43
CN1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004630408	1	38	-1.0	-47.42	298.68	3.00	-44.42
CN1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630409	0	38	-1.0	-36.00	305.63	3.22	-32.78
CN1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630409	1	38	-1.0	-36.00	305.70	3.22	-32.78
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C2=CC=CC=C2)C1	REAL250004630410	0	37	-1.0	-49.55	309.91	3.12	-46.43
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C2=CC=CC=C2)C1	REAL250004630410	1	37	-1.0	-49.55	309.96	3.14	-46.41
COCC1(C2CC2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630411	0	40	-1.0	-49.46	325.88	4.59	-44.87
COCC1(C2CC2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630411	1	40	-1.0	-49.45	325.94	4.60	-44.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630412	0	39	-1.0	-59.61	313.41	3.76	-55.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630412	1	39	-1.0	-59.62	313.45	3.77	-55.85
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)COC1	REAL250004630413	0	33	-1.0	-52.09	277.51	2.37	-49.72
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)COC1	REAL250004630413	1	33	-1.0	-51.95	277.98	2.38	-49.57
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004630414	0	30	-1.0	-35.09	263.75	-0.74	-35.83
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004630414	1	30	-1.0	-35.10	263.82	-0.73	-35.83
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1C#N	REAL250004630415	0	36	-1.0	-50.66	289.94	4.89	-45.77
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1C#N	REAL250004630415	1	36	-1.0	-50.63	289.99	4.91	-45.72
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1C#N	REAL250004630416	0	36	-1.0	-40.82	299.08	5.06	-35.76
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1C#N	REAL250004630416	1	36	-1.0	-40.75	299.15	5.07	-35.68
CCC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630417	0	39	-1.0	-50.68	301.95	1.78	-48.90
CCC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630417	1	39	-1.0	-50.67	302.01	1.79	-48.88
CC(C)(C)OC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630418	0	43	-1.0	-44.78	340.79	3.91	-40.87
CC(C)(C)OC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630418	1	43	-1.0	-44.77	340.85	3.93	-40.84
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2)C1	REAL250004630419	0	36	-1.0	-47.87	303.79	5.53	-42.34
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2)C1	REAL250004630419	1	36	-1.0	-47.87	303.85	5.55	-42.32
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CO	REAL250004630420	0	38	-1.0	-48.29	298.56	-1.24	-49.53
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CO	REAL250004630420	1	38	-1.0	-48.27	298.62	-1.23	-49.50
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2=CNN=C21	REAL250004630421	0	36	-1.0	-50.87	295.96	2.76	-48.11
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2=CNN=C21	REAL250004630421	1	36	-1.0	-50.87	296.02	2.78	-48.09
O=C(NC12CCN(CC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630424	1	35	-1.0	-34.88	290.28	-1.31	-36.19
O=C(NC12CCN(CC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630424	1	35	-1.0	-34.83	290.35	-1.29	-36.12
CS(C)(=O)=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630425	0	30	-1.0	-71.97	273.60	2.57	-69.40
CS(C)(=O)=NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630425	1	30	-1.0	-71.74	273.57	2.57	-69.17
CS(C)(=O)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630426	0	27	-1.0	-54.88	258.50	-0.75	-55.63
CS(C)(=O)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630426	1	27	-1.0	-54.89	258.55	-0.76	-55.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=NC=CC=C2C=C1	REAL250004630427	0	37	-1.0	-50.38	320.19	3.83	-46.55
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=NC=CC=C2C=C1	REAL250004630427	1	37	-1.0	-50.39	320.25	3.85	-46.54
COC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(CO)C1	REAL250004630428	0	40	-1.0	-48.17	317.76	1.49	-46.68
COC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(CO)C1	REAL250004630428	1	40	-1.0	-48.21	317.81	1.50	-46.71
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CS1	REAL250004630429	0	29	-1.0	-46.74	260.89	3.13	-43.61
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CS1	REAL250004630429	1	29	-1.0	-46.76	260.94	3.15	-43.61
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CS1	REAL250004630430	0	29	-1.0	-34.92	271.54	2.93	-31.99
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CS1	REAL250004630430	1	29	-1.0	-34.96	271.47	2.93	-32.03
N#CC1=CC=CC(ONC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630431	0	31	-1.0	-53.21	291.44	4.68	-48.53
N#CC1=CC=CC(ONC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630431	1	31	-1.0	-53.21	291.50	4.70	-48.51
O=C(CCCC1=N[N-]N=N1)NC1=C2CCCCN2N=C1	REAL250004630432	0	36	-1.0	-53.06	296.57	2.74	-50.32
O=C(CCCC1=NN=N[N-]1)NC1=C2CCCCN2N=C1	REAL250004630432	1	36	-1.0	-53.07	296.62	2.75	-50.32
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)S2=O	REAL250004630433	0	38	-1.0	-62.69	294.84	2.79	-59.90
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)S2=O	REAL250004630433	1	38	-1.0	-62.70	294.90	2.81	-59.89
CC1(C)[C@H]2[C@H](CCCN2C(=O)CCCC2=N[N-]N=N2)[C@@H]1O	REAL250004630434	0	43	-1.0	-48.17	318.13	2.50	-45.67
CC1(C)[C@H]2[C@H](CCCN2C(=O)CCCC2=NN=N[N-]2)[C@@H]1O	REAL250004630434	1	43	-1.0	-48.20	318.19	2.51	-45.69
COCC(C)(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004630435	0	36	-1.0	-46.69	294.80	-2.24	-48.93
COCC(C)(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004630435	1	36	-1.0	-46.67	294.86	-2.23	-48.90
COCC(C)(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630436	0	36	-1.0	-36.44	305.52	-2.42	-38.86
COCC(C)(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630436	1	36	-1.0	-36.46	305.59	-2.41	-38.87
COC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004630437	0	39	-1.0	-49.50	325.77	4.89	-44.61
COC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004630437	1	39	-1.0	-49.54	325.83	4.90	-44.64
CC(NC(=O)CCCC1=N[N-]N=N1)C12CC1CCCC2	REAL250004630438	0	42	-1.0	-46.47	321.56	5.10	-41.37
CC(NC(=O)CCCC1=NN=N[N-]1)C12CC1CCCC2	REAL250004630438	1	42	-1.0	-46.46	321.62	5.11	-41.35
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(C1)O2	REAL250004630439	0	34	-1.0	-46.95	270.36	2.71	-44.24
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(C1)O2	REAL250004630439	1	34	-1.0	-46.99	270.42	2.72	-44.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC(C1)O2	REAL250004630440	0	34	-1.0	-35.08	277.82	3.00	-32.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC(C1)O2	REAL250004630440	1	34	-1.0	-35.04	277.88	3.00	-32.04
CCC(F)(F)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004630441	0	40	-1.0	-51.06	320.21	3.97	-47.09
CCC(F)(F)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004630441	1	40	-1.0	-51.06	320.27	3.99	-47.07
C[C@]1(CO)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@]1(C)CO	REAL250004630442	0	43	-1.0	-49.36	329.91	-1.72	-51.08
C[C@]1(CO)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@]1(C)CO	REAL250004630442	1	43	-1.0	-49.36	329.97	-1.71	-51.07
CC(C)O[C@@]1(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004630443	0	39	-1.0	-45.95	322.64	2.64	-43.31
CC(C)O[C@@]1(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004630443	1	39	-1.0	-46.02	322.70	2.66	-43.36
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1CCCC1	REAL250004630444	0	37	-1.0	-45.56	305.63	3.19	-42.37
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1CCCC1	REAL250004630444	1	37	-1.0	-45.62	305.68	3.20	-42.42
CC1(C(=O)CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004630445	0	40	-1.0	-45.17	322.29	3.57	-41.60
CC1(C(=O)CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004630445	1	40	-1.0	-45.17	322.34	3.59	-41.58
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[C@]2(CO)C1	REAL250004630446	0	40	-1.0	-49.79	313.46	1.76	-48.03
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[C@]2(CO)C1	REAL250004630446	1	40	-1.0	-49.81	313.52	1.77	-48.04
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004630447	0	42	-1.0	-48.59	333.80	6.91	-41.68
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004630447	1	42	-1.0	-48.63	333.86	6.93	-41.70
CCN1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004630448	0	36	-1.0	-59.01	304.07	1.54	-57.47
CCN1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004630448	1	36	-1.0	-59.01	304.12	1.55	-57.46
COC(=O)[C@@]1(C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004630449	0	41	-1.0	-47.39	329.93	4.38	-43.01
COC(=O)[C@@]1(C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004630449	1	41	-1.0	-47.42	329.99	4.39	-43.03
O=C(CCCC1=N[N-]N=N1)N1CCC12CC(CO)C2	REAL250004630450	0	37	-1.0	-55.82	306.33	1.08	-54.74
O=C(CCCC1=NN=N[N-]1)N1CCC12CC(CO)C2	REAL250004630450	1	37	-1.0	-55.78	306.39	1.10	-54.68
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)O1	REAL250004630451	0	36	-1.0	-45.95	296.36	1.55	-44.40
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)O1	REAL250004630451	1	36	-1.0	-46.00	296.42	1.56	-44.44
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)O1	REAL250004630452	0	36	-1.0	-34.83	306.70	1.36	-33.47
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)O1	REAL250004630452	1	36	-1.0	-34.78	306.77	1.35	-33.43
O=C(NC12CC1CCCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630453	0	39	-1.0	-53.19	309.14	6.46	-46.73
O=C(NC12CC1CCCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630453	1	39	-1.0	-52.99	309.24	6.48	-46.51
O=C(NC12CC1CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630454	0	36	-1.0	-35.35	295.60	3.35	-32.00
O=C(NC12CC1CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630454	1	36	-1.0	-35.33	295.67	3.35	-31.98
COC1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630455	0	39	-1.0	-44.74	304.07	3.24	-41.50
COC1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630455	1	39	-1.0	-44.75	304.12	3.25	-41.50
CC1OC(C)C(NC(=O)CCCC2=N[N-]N=N2)C1C	REAL250004630456	0	39	-1.0	-46.70	305.69	2.33	-44.37
CC1OC(C)C(NC(=O)CCCC2=NN=N[N-]2)C1C	REAL250004630456	1	39	-1.0	-46.73	305.75	2.36	-44.37
O=C(CCCC1=N[N-]N=N1)N1CCOC(CCF)C1	REAL250004630457	0	36	-1.0	-47.40	296.61	2.91	-44.49
O=C(CCCC1=NN=N[N-]1)N1CCOC(CCF)C1	REAL250004630457	1	36	-1.0	-47.45	296.66	2.93	-44.52
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004630458	0	40	-1.0	-44.58	318.70	3.41	-41.17
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004630458	1	40	-1.0	-44.61	318.76	3.42	-41.19
CN(C[C@H]1C[C@@H](O)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004630459	0	36	-1.0	-48.53	296.04	1.20	-47.33
CN(C[C@H]1C[C@@H](O)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004630459	1	36	-1.0	-48.54	296.09	1.22	-47.32
CN(C[C@H]1C[C@@H](O)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630460	0	36	-1.0	-37.50	303.49	1.63	-35.87
CN(C[C@H]1C[C@@H](O)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630460	1	36	-1.0	-37.44	303.55	1.65	-35.79
O=C(CCCC1=N[N-]N=N1)NC1C2CC3COC1C3C2	REAL250004630461	0	38	-1.0	-52.64	298.58	2.18	-50.46
O=C(CCCC1=NN=N[N-]1)NC1C2CC3COC1C3C2	REAL250004630461	1	38	-1.0	-52.65	298.64	2.20	-50.45
CC1C(=O)CC2CCC1N2C(=O)CCCC1=N[N-]N=N1	REAL250004630462	0	38	-1.0	-47.87	300.77	4.40	-43.47
CC1C(=O)CC2CCC1N2C(=O)CCCC1=NN=N[N-]1	REAL250004630462	1	38	-1.0	-47.89	300.83	4.41	-43.48
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL250004630463	0	35	-1.0	-48.16	298.98	-0.97	-49.13
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL250004630463	1	35	-1.0	-48.16	299.04	-0.95	-49.11
C=C(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004630464	0	38	-1.0	-44.80	316.76	3.12	-41.68
C=C(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004630464	1	38	-1.0	-44.83	316.82	3.14	-41.69
COC(=O)C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004630465	0	39	-1.0	-52.35	315.89	5.71	-46.64
COC(=O)C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004630465	1	39	-1.0	-52.32	315.95	5.73	-46.59
CC1=CC=C(O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004630466	0	33	-1.0	-50.29	281.83	1.35	-48.94
CC1=CC=C(O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004630466	1	33	-1.0	-50.31	281.88	1.36	-48.95
CC1=CC=C(O)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630467	0	33	-1.0	-38.27	292.39	1.15	-37.12
CC1=CC=C(O)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630467	1	33	-1.0	-38.19	292.45	1.15	-37.04
COCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630468	0	36	-1.0	-47.50	292.39	2.78	-44.72
COCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630468	1	36	-1.0	-47.48	292.44	2.79	-44.69
COCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630469	0	36	-1.0	-38.86	298.09	4.40	-34.46
COCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630469	1	36	-1.0	-38.78	298.16	4.40	-34.38
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL250004630470	0	33	-1.0	-48.07	297.43	3.86	-44.21
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL250004630470	1	33	-1.0	-48.08	297.49	3.88	-44.20
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1C1CC1	REAL250004630471	0	39	-1.0	-48.82	316.40	2.57	-46.25
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1C1CC1	REAL250004630471	1	39	-1.0	-48.90	316.46	2.59	-46.31
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004630472	0	33	-1.0	-45.56	288.43	2.76	-42.80
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004630472	1	33	-1.0	-45.50	288.49	2.77	-42.73
N#CC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630473	0	30	-1.0	-48.55	280.55	3.81	-44.74
N#CC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630473	1	30	-1.0	-48.54	280.60	3.83	-44.71
CCCC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004630474	0	38	-1.0	-46.19	307.19	0.29	-45.90
CCCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004630474	1	38	-1.0	-46.23	307.25	0.30	-45.93
CCCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630475	0	38	-1.0	-36.17	317.78	0.04	-36.13
CCCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630475	1	38	-1.0	-36.21	317.84	0.05	-36.16
CNS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004630476	0	36	-1.0	-54.25	318.77	-2.55	-56.80
CNS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004630476	1	36	-1.0	-54.24	318.83	-2.54	-56.78
O=C(CCCC1=N[N-]N=N1)NCCC1CC=CCC1	REAL250004630477	0	39	-1.0	-47.03	313.79	4.35	-42.68
O=C(CCCC1=NN=N[N-]1)NCCC1CC=CCC1	REAL250004630477	1	39	-1.0	-47.12	313.85	4.37	-42.75
O=C(NCCC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630478	0	39	-1.0	-35.22	324.34	4.15	-31.07
O=C(NCCC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630478	1	39	-1.0	-35.19	324.41	4.16	-31.03
CC1(C)CCC(C)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630479	0	44	-1.0	-46.09	324.84	4.97	-41.12
CC1(C)CCC(C)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630479	1	44	-1.0	-46.12	324.90	4.98	-41.14
O=C(N[C@H]1C[C@@H](CO)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630480	0	36	-1.0	-56.47	302.65	2.09	-54.38
O=C(N[C@H]1C[C@@H](CO)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630480	1	36	-1.0	-56.46	303.13	2.08	-54.38
O=C(N[C@H]1C[C@@H](CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630481	0	33	-1.0	-37.35	288.89	-1.04	-38.39
O=C(N[C@H]1C[C@@H](CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630481	1	33	-1.0	-37.32	288.96	-1.03	-38.35
CC(C1CC1)N(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004630482	0	42	-1.0	-47.49	340.44	7.72	-39.77
CC(C1CC1)N(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004630482	1	42	-1.0	-47.49	340.49	7.73	-39.76
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004630483	0	35	-1.0	-52.22	296.58	0.41	-51.81
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004630483	1	35	-1.0	-52.27	296.63	0.43	-51.84
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)CO2	REAL250004630484	0	34	-1.0	-46.80	283.97	1.21	-45.59
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)CO2	REAL250004630484	1	34	-1.0	-46.79	284.03	1.22	-45.57
O=C(NCC12CC(C1)CO2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630485	0	34	-1.0	-37.22	294.78	0.98	-36.24
O=C(NCC12CC(C1)CO2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630485	1	34	-1.0	-37.19	294.85	0.98	-36.21
CN1CCOCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004630486	0	38	-1.0	-45.69	304.19	-0.57	-46.26
CN1CCOCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004630486	1	38	-1.0	-45.75	304.25	-0.56	-46.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC=CC2=C1	REAL250004630487	0	32	-1.0	-51.97	280.42	3.70	-48.27
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC=CC2=C1	REAL250004630487	1	32	-1.0	-51.95	280.47	3.71	-48.24
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(F)=C1O	REAL250004630488	0	30	-1.0	-45.74	268.73	0.71	-45.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(F)=C1O	REAL250004630488	1	30	-1.0	-45.74	268.79	0.72	-45.02
CC1CC(F)(F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630489	0	35	-1.0	-45.51	282.77	4.33	-41.18
CC1CC(F)(F)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630489	1	35	-1.0	-45.52	282.83	4.34	-41.18
COC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004630490	0	37	-1.0	-51.17	311.35	4.31	-46.86
COC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004630490	1	37	-1.0	-51.16	311.40	4.33	-46.83
O=C(CCCC1=N[N-]N=N1)NCCC1CCSC1	REAL250004630491	0	36	-1.0	-49.38	304.95	3.52	-45.86
O=C(CCCC1=NN=N[N-]1)NCCC1CCSC1	REAL250004630491	1	36	-1.0	-49.40	305.00	3.54	-45.86
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004630492	0	45	-1.0	-48.44	342.48	3.61	-44.83
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004630492	1	45	-1.0	-48.44	342.54	3.63	-44.81
O=C(NC1=CNN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630493	0	29	-1.0	-58.30	256.61	2.69	-55.61
O=C(NC1=CNN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630493	1	29	-1.0	-58.11	256.70	2.71	-55.40
O=C(NC1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630494	0	26	-1.0	-38.74	242.89	-0.40	-39.14
O=C(NC1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630494	1	26	-1.0	-38.74	242.82	-0.41	-39.15
O=C(CCCC1=N[N-]N=N1)NCC1(CO)COCCN1	REAL250004630496	0	39	-1.0	-48.25	311.81	-4.57	-52.82
O=C(CCCC1=NN=N[N-]1)NCC1(CO)COCCN1	REAL250004630496	1	39	-1.0	-48.30	311.87	-4.55	-52.85
C[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004630497	0	35	-1.0	-52.25	296.65	0.42	-51.83
C[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004630497	1	35	-1.0	-52.31	296.71	0.44	-51.87
CN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL250004630498	0	32	-1.0	-59.70	279.58	4.00	-55.70
CN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL250004630498	1	32	-1.0	-59.47	279.68	4.02	-55.45
CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004630499	0	29	-1.0	-39.66	265.86	0.91	-38.75
CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004630499	1	29	-1.0	-39.62	265.79	0.90	-38.72
O=C(CCCC1=N[N-]N=N1)NCCC1=CNC(=O)N=C1	REAL250004630500	0	34	-1.0	-62.47	300.14	-1.00	-63.47
O=C(CCCC1=NN=N[N-]1)NCCC1=CNC(=O)N=C1	REAL250004630500	1	34	-1.0	-62.46	300.20	-0.99	-63.45
O=C(CCCC1=N[N-]N=N1)NCCCCC1CC1	REAL250004630501	0	38	-1.0	-46.61	315.28	4.35	-42.26
O=C(CCCC1=NN=N[N-]1)NCCCCC1CC1	REAL250004630501	1	38	-1.0	-46.62	315.34	4.37	-42.25
O=C(NCCCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630502	0	38	-1.0	-34.99	325.88	4.16	-30.83
O=C(NCCCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630502	1	38	-1.0	-34.91	325.94	4.16	-30.75
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004630503	0	34	-1.0	-50.34	277.63	-2.52	-52.86
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004630503	1	34	-1.0	-50.36	277.69	-2.50	-52.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004630504	0	34	-1.0	-37.50	285.09	-2.35	-39.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004630504	1	34	-1.0	-37.45	285.16	-2.34	-39.79
CC1(C)CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630505	0	39	-1.0	-46.97	304.30	1.57	-45.40
CC1(C)CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630505	1	39	-1.0	-46.98	304.36	1.58	-45.40
CC(C)(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004630506	0	41	-1.0	-46.37	342.65	4.38	-41.99
CC(C)(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004630506	1	41	-1.0	-46.39	342.71	4.39	-42.00
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(C)(F)F	REAL250004630507	0	37	-1.0	-51.04	300.30	3.24	-47.80
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(C)(F)F	REAL250004630507	1	37	-1.0	-51.06	300.36	3.25	-47.81
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1O	REAL250004630508	0	36	-1.0	-48.68	305.37	1.56	-47.12
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1O	REAL250004630508	1	36	-1.0	-48.67	305.43	1.57	-47.10
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1O	REAL250004630509	0	36	-1.0	-50.08	305.42	1.58	-48.50
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1O	REAL250004630509	1	36	-1.0	-50.09	305.47	1.59	-48.50
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H](C(F)(F)F)C1	REAL250004630510	0	35	-1.0	-47.70	294.26	4.50	-43.20
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H](C(F)(F)F)C1	REAL250004630510	1	35	-1.0	-47.71	294.30	4.52	-43.19
CC(C)(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630511	0	42	-1.0	-47.74	316.88	2.05	-45.69
CC(C)(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630511	1	42	-1.0	-47.75	316.93	2.07	-45.68
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004630512	0	37	-1.0	-46.73	293.36	4.97	-41.76
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004630512	1	37	-1.0	-46.73	293.42	4.99	-41.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004630513	0	37	-1.0	-35.95	300.72	5.22	-30.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004630513	1	37	-1.0	-35.93	300.79	5.23	-30.70
CN1C(=O)[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C1=O	REAL250004630514	0	36	-1.0	-50.53	305.19	1.94	-48.59
CN1C(=O)[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C1=O	REAL250004630514	1	36	-1.0	-50.56	305.25	1.95	-48.61
O=C(CCCC1=N[N-]N=N1)N1CCC2CSCC2C1	REAL250004630515	0	37	-1.0	-47.88	301.17	4.99	-42.89
O=C(CCCC1=NN=N[N-]1)N1CCC2CSCC2C1	REAL250004630515	1	37	-1.0	-47.91	301.23	5.01	-42.90
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004630516	0	39	-1.0	-48.36	328.27	3.77	-44.59
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004630516	1	39	-1.0	-48.38	328.32	3.78	-44.60
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004630518	0	39	-1.0	-55.91	324.48	2.02	-53.89
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004630518	1	39	-1.0	-55.91	324.54	2.03	-53.88
O=C(CCCC1=N[N-]N=N1)NNC(=O)CN1CCCC1=O	REAL250004630519	0	37	-1.0	-54.20	321.54	0.60	-53.60
O=C(CCCC1=NN=N[N-]1)NNC(=O)CN1CCCC1=O	REAL250004630519	1	37	-1.0	-54.24	321.59	0.61	-53.63
O=C(CCCC1=N[N-]N=N1)NCC1CCC12CCOCC2	REAL250004630520	0	43	-1.0	-48.47	335.64	2.89	-45.58
O=C(CCCC1=NN=N[N-]1)NCC1CCC12CCOCC2	REAL250004630520	1	43	-1.0	-48.49	335.70	2.91	-45.58
CN1C=C(C(F)F)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004630521	0	35	-1.0	-50.80	312.56	1.99	-48.81
CN1C=C(C(F)F)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004630521	1	35	-1.0	-50.83	312.62	2.00	-48.83
N#CCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630522	0	38	-1.0	-52.69	310.77	2.24	-50.45
N#CCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630522	1	38	-1.0	-52.74	310.83	2.25	-50.49
O=C(CCCC1=N[N-]N=N1)NCC1CC2CC1C1CC12	REAL250004630523	0	40	-1.0	-46.69	308.57	4.56	-42.13
O=C(CCCC1=NN=N[N-]1)NCC1CC2CC1C1CC12	REAL250004630523	1	40	-1.0	-46.70	308.62	4.58	-42.12
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL250004630525	0	43	-1.0	-47.90	345.33	3.53	-44.37
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL250004630525	1	43	-1.0	-47.91	345.39	3.54	-44.37
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCOC1	REAL250004630526	0	43	-1.0	-49.96	337.37	3.44	-46.52
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCOC1	REAL250004630526	1	43	-1.0	-49.96	337.43	3.46	-46.50
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=N2)CCC1	REAL250004630527	0	38	-1.0	-52.57	317.60	3.75	-48.82
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=N2)CCC1	REAL250004630527	1	38	-1.0	-52.53	317.54	3.74	-48.79
COC(=O)CCN(CC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004630528	0	35	-1.0	-57.37	313.58	4.09	-53.28
COC(=O)CCN(CC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004630528	1	35	-1.0	-57.36	313.64	4.10	-53.26
CCON(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630529	0	35	-1.0	-49.45	295.01	6.21	-43.24
CCON(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630529	1	35	-1.0	-49.25	295.10	6.22	-43.03
CCON(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630530	0	32	-1.0	-36.09	279.82	3.67	-32.42
CCON(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630530	1	32	-1.0	-36.06	279.88	3.69	-32.37
O=C(CCCC1=N[N-]N=N1)N1OC2CCC1CC2	REAL250004630532	0	34	-1.0	-45.94	273.63	3.64	-42.30
O=C(CCCC1=NN=N[N-]1)N1OC2CCC1CC2	REAL250004630532	1	34	-1.0	-45.96	273.70	3.66	-42.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1OC2CCC1CC2	REAL250004630533	0	34	-1.0	-39.25	282.35	3.77	-35.48
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1OC2CCC1CC2	REAL250004630533	1	34	-1.0	-39.21	282.42	3.78	-35.43
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1OC2C=CC1CC2	REAL250004630534	0	35	-1.0	-39.99	287.71	6.36	-33.63
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1OC2C=CC1CC2	REAL250004630534	1	35	-1.0	-39.85	287.80	6.36	-33.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1OC2C=CC1CC2	REAL250004630535	0	32	-1.0	-38.50	274.88	3.69	-34.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1OC2C=CC1CC2	REAL250004630535	1	32	-1.0	-38.46	274.94	3.69	-34.77
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=NN1C1CC1	REAL250004630536	0	37	-1.0	-46.97	320.31	1.77	-45.20
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=NN1C1CC1	REAL250004630536	1	37	-1.0	-46.97	320.37	1.78	-45.19
COC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004630537	0	38	-1.0	-48.80	303.95	1.29	-47.51
COC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004630537	1	38	-1.0	-48.80	304.01	1.31	-47.49
COC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630538	0	38	-1.0	-36.58	314.55	1.09	-35.49
COC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630538	1	38	-1.0	-36.61	314.61	1.10	-35.51
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCCCCCC1	REAL250004630539	0	45	-1.0	-45.63	327.91	1.99	-43.64
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCCCCCC1	REAL250004630539	1	45	-1.0	-45.66	327.97	2.01	-43.65
CC(C)COC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630540	0	40	-1.0	-44.92	336.67	3.79	-41.13
CC(C)COC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630540	1	40	-1.0	-44.87	336.73	3.80	-41.07
C[C@H](O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630541	0	39	-1.0	-48.73	305.52	1.60	-47.13
C[C@H](O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630541	1	39	-1.0	-48.73	305.57	1.61	-47.12
C[C@@H](O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630542	0	39	-1.0	-49.39	304.60	1.66	-47.73
C[C@@H](O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630542	1	39	-1.0	-49.39	304.66	1.68	-47.71
O=C(CCCC1=N[N-]N=N1)NNC1=CC(Cl)=CC=C1F	REAL250004630543	0	31	-1.0	-47.17	292.11	3.58	-43.59
O=C(CCCC1=NN=N[N-]1)NNC1=CC(Cl)=CC=C1F	REAL250004630543	1	31	-1.0	-47.20	292.17	3.59	-43.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(C(F)F)=C1	REAL250004630544	0	32	-1.0	-47.95	289.93	4.25	-43.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(C(F)F)=C1	REAL250004630544	1	32	-1.0	-48.00	289.99	4.27	-43.73
COC(=O)CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004630545	0	41	-1.0	-46.46	325.42	3.99	-42.47
COC(=O)CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004630545	1	41	-1.0	-46.45	325.48	4.00	-42.45
CN1C=NC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630546	0	35	-1.0	-53.41	303.57	5.54	-47.87
CN1C=NC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630546	1	35	-1.0	-53.26	303.66	5.54	-47.72
CN1C=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630547	0	32	-1.0	-38.63	289.82	2.40	-36.23
CN1C=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630547	1	32	-1.0	-38.62	289.89	2.40	-36.22
O=C(CCCC1=NN=N[N-]1)NC1=NN(CCF)C=C1	REAL250004630548	0	32	-1.0	-48.55	283.22	3.10	-45.45
O=C(CCCC1=N[N-]N=N1)NC1=NN(CCF)C=C1	REAL250004630548	1	32	-1.0	-48.56	283.16	3.08	-45.48
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NN1C	REAL250004630549	0	35	-1.0	-47.87	298.78	1.85	-46.02
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NN1C	REAL250004630549	1	35	-1.0	-47.86	298.83	1.86	-46.00
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NN1C	REAL250004630550	0	35	-1.0	-37.59	304.11	1.58	-36.01
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NN1C	REAL250004630550	1	35	-1.0	-37.57	304.18	1.59	-35.98
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004630551	0	36	-1.0	-52.49	320.15	-0.31	-52.80
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004630551	1	36	-1.0	-52.50	320.21	-0.29	-52.79
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004630552	0	36	-1.0	-55.09	305.98	0.89	-54.20
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004630552	1	36	-1.0	-55.12	306.04	0.90	-54.22
CCC(CC(C)O)NC(=O)CCCC1=N[N-]N=N1	REAL250004630553	0	38	-1.0	-49.38	303.50	0.95	-48.43
CCC(CC(C)O)NC(=O)CCCC1=NN=N[N-]1	REAL250004630553	1	38	-1.0	-49.32	303.56	0.96	-48.36
CCC(CC(C)O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630554	0	38	-1.0	-38.15	314.08	0.73	-37.42
CCC(CC(C)O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630554	1	38	-1.0	-38.17	314.15	0.74	-37.43
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CCCC1	REAL250004630555	0	42	-1.0	-49.00	332.03	1.62	-47.38
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CCCC1	REAL250004630555	1	42	-1.0	-49.01	332.09	1.64	-47.37
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1O	REAL250004630556	0	36	-1.0	-48.95	287.89	0.28	-48.67
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1O	REAL250004630556	1	36	-1.0	-49.01	287.95	0.30	-48.71
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630557	0	36	-1.0	-36.90	300.26	-0.16	-37.06
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630557	1	36	-1.0	-36.91	300.32	-0.14	-37.05
COC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630558	0	39	-1.0	-50.03	323.85	3.71	-46.32
COC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630558	1	39	-1.0	-50.05	323.91	3.72	-46.33
COC1=CC=CC=C1[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630559	0	39	-1.0	-50.07	323.90	3.73	-46.34
COC1=CC=CC=C1[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630559	1	39	-1.0	-50.08	323.96	3.75	-46.33
CCOC1=NNC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004630560	0	32	-1.0	-46.62	281.89	-0.07	-46.69
CCOC1=NNC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004630560	1	32	-1.0	-46.59	281.95	-0.06	-46.65
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C#N	REAL250004630561	0	34	-1.0	-55.97	302.71	3.08	-52.89
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C#N	REAL250004630561	1	34	-1.0	-55.97	302.77	3.10	-52.87
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NC=CN=C12	REAL250004630562	0	33	-1.0	-49.48	287.73	1.99	-47.49
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NC=CN=C12	REAL250004630562	1	33	-1.0	-49.42	287.67	1.97	-47.45
O=C(CCCC1=N[N-]N=N1)NC1CN(C2=CC=NC=N2)C1	REAL250004630563	0	36	-1.0	-47.53	308.36	1.27	-46.26
O=C(CCCC1=NN=N[N-]1)NC1CN(C2=CC=NC=N2)C1	REAL250004630563	1	36	-1.0	-47.56	308.42	1.28	-46.28
COCC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630564	0	36	-1.0	-47.94	300.46	1.63	-46.31
COCC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630564	1	36	-1.0	-47.94	300.52	1.65	-46.29
COCC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630565	0	36	-1.0	-37.13	311.05	1.43	-35.70
COCC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630565	1	36	-1.0	-37.08	311.12	1.44	-35.64
CC1CCCC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004630566	0	45	-1.0	-47.24	344.19	6.26	-40.98
CC1CCCC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004630566	1	45	-1.0	-47.26	344.25	6.28	-40.98
NC(=O)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630567	0	33	-1.0	-56.40	282.53	-1.47	-57.87
NC(=O)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630567	1	33	-1.0	-56.40	282.59	-1.46	-57.86
NC(=O)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630568	0	33	-1.0	-42.65	293.10	-1.68	-44.33
NC(=O)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630568	1	33	-1.0	-42.65	293.16	-1.68	-44.33
O=C(CCCC1=N[N-]N=N1)N1C[C@H](CO)[C@H](CO)C1	REAL250004630569	0	37	-1.0	-51.78	299.58	-2.78	-54.56
O=C(CCCC1=NN=N[N-]1)N1C[C@H](CO)[C@H](CO)C1	REAL250004630569	1	37	-1.0	-51.82	299.63	-2.77	-54.59
CCC(O)(CC)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630570	0	44	-1.0	-44.95	315.27	1.00	-43.95
CCC(O)(CC)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630570	1	44	-1.0	-45.00	315.33	1.01	-43.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COCC[C@H]1O	REAL250004630571	0	34	-1.0	-51.88	283.36	-2.54	-54.42
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COCC[C@H]1O	REAL250004630571	1	34	-1.0	-51.92	283.41	-2.53	-54.45
O=C(N[C@@H]1COCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630572	0	34	-1.0	-39.13	293.95	-2.74	-41.87
O=C(N[C@@H]1COCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630572	1	34	-1.0	-39.09	294.02	-2.73	-41.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CC1CCC1	REAL250004630573	0	39	-1.0	-49.12	323.38	4.97	-44.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CC1CCC1	REAL250004630573	1	39	-1.0	-49.08	323.33	4.96	-44.12
O=C(CCCC1=NN=N[N-]1)NC1=CN=CC(C(F)F)=C1	REAL250004630574	0	31	-1.0	-48.36	280.54	2.44	-45.92
O=C(CCCC1=N[N-]N=N1)NC1=CN=CC(C(F)F)=C1	REAL250004630574	1	31	-1.0	-48.36	280.48	2.42	-45.94
COC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004630575	0	37	-1.0	-51.17	311.35	4.31	-46.86
COC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004630575	1	37	-1.0	-51.16	311.40	4.33	-46.83
CC1=CC=CC2=C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004630576	0	36	-1.0	-50.99	297.95	6.20	-44.79
CC1=CC=CC2=C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004630576	1	36	-1.0	-51.01	298.01	6.21	-44.80
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004630577	0	37	-1.0	-46.70	314.21	2.89	-43.81
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004630577	1	37	-1.0	-46.67	314.26	2.91	-43.76
CN1CCN2N=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL250004630578	0	38	-1.0	-49.17	308.11	0.81	-48.36
CN1CCN2N=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL250004630578	1	38	-1.0	-49.17	308.17	0.83	-48.34
CC(C)(O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630579	0	38	-1.0	-47.93	291.60	0.00	-47.93
CC(C)(O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630579	1	38	-1.0	-47.91	291.66	0.01	-47.90
CC(C)(O)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630580	0	38	-1.0	-36.47	300.06	-0.38	-36.85
CC(C)(O)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630580	1	38	-1.0	-36.46	300.13	-0.37	-36.83
CC(C)(C)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004630581	0	41	-1.0	-46.43	317.64	6.19	-40.24
CC(C)(C)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004630581	1	41	-1.0	-46.49	317.70	6.20	-40.29
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)CC1=CNC=N1	REAL250004630583	0	36	-1.0	-53.09	310.29	-0.57	-53.66
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)CC1=CNC=N1	REAL250004630583	1	36	-1.0	-53.11	310.35	-0.56	-53.67
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)CC1=CN=CN1	REAL250004630583	1	36	-1.0	-51.60	309.65	-0.52	-52.12
O=C(CCCC1=N[N-]N=N1)N1C2CCC1C1=CN=CN=C1C2	REAL250004630584	0	38	-1.0	-50.33	311.32	4.81	-45.52
O=C(CCCC1=NN=N[N-]1)N1C2CCC1C1=CN=CN=C1C2	REAL250004630584	1	38	-1.0	-50.36	311.37	4.83	-45.53
O=C(CCCC1=N[N-]N=N1)NC1=NNC(CC2CC2)=C1	REAL250004630585	0	36	-1.0	-48.15	307.10	3.64	-44.51
O=C(CCCC1=NN=N[N-]1)NC1=NNC(CC2CC2)=C1	REAL250004630585	1	36	-1.0	-48.15	307.16	3.66	-44.49
N#CC1=CC=C2CC(NC(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004630587	0	37	-1.0	-49.04	323.01	5.14	-43.90
N#CC1=CC=C2CC(NC(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004630587	1	37	-1.0	-49.09	323.07	5.15	-43.94
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C2CCCCC21	REAL250004630588	0	43	-1.0	-47.89	321.23	2.72	-45.17
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C2CCCCC21	REAL250004630588	1	43	-1.0	-47.90	321.28	2.73	-45.17
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC(O)=C2C1	REAL250004630589	0	34	-1.0	-50.30	292.87	2.16	-48.14
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(O)=C2C1	REAL250004630589	1	34	-1.0	-50.30	292.93	2.17	-48.13
NC(=O)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004630590	0	33	-1.0	-60.06	284.36	1.19	-58.87
NC(=O)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004630590	1	33	-1.0	-61.26	283.89	1.19	-60.07
NC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630591	0	30	-1.0	-40.39	272.06	-1.36	-41.75
NC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630591	1	30	-1.0	-40.33	272.13	-1.34	-41.67
CN1C=C([C@@H]2C[C@H]2NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004630592	0	36	-1.0	-52.75	311.20	2.73	-50.02
CN1C=C([C@@H]2C[C@H]2NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004630592	1	36	-1.0	-52.72	311.15	2.72	-50.00
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)NC1=O	REAL250004630595	0	35	-1.0	-56.73	307.75	-0.50	-57.23
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)NC1=O	REAL250004630595	1	35	-1.0	-56.73	307.80	-0.48	-57.21
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C(O)C(F)(F)F	REAL250004630596	0	35	-1.0	-45.63	288.86	0.25	-45.38
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C(O)C(F)(F)F	REAL250004630596	1	35	-1.0	-45.62	288.91	0.26	-45.36
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CN1C(F)F	REAL250004630597	0	35	-1.0	-51.48	309.96	2.58	-48.90
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CN1C(F)F	REAL250004630597	1	35	-1.0	-51.45	310.02	2.60	-48.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CN=CC=C2O1	REAL250004630599	0	34	-1.0	-48.01	301.75	2.27	-45.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CN=CC=C2O1	REAL250004630599	1	34	-1.0	-47.99	301.69	2.26	-45.73
O=C(CCCC1=N[N-]N=N1)NC1CC2(CSC2)C1	REAL250004630600	0	34	-1.0	-49.87	294.76	3.36	-46.51
O=C(CCCC1=NN=N[N-]1)NC1CC2(CSC2)C1	REAL250004630600	1	34	-1.0	-49.89	294.82	3.38	-46.51
C[C@H](O)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004630601	0	36	-1.0	-58.94	300.94	2.60	-56.34
C[C@H](O)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004630601	1	36	-1.0	-58.69	300.32	2.68	-56.01
C[C@H](O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630602	0	33	-1.0	-37.49	283.94	0.36	-37.13
C[C@H](O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630602	1	33	-1.0	-37.51	284.01	0.38	-37.13
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1C1CC12	REAL250004630603	0	37	-1.0	-45.87	284.08	4.96	-40.91
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1C1CC12	REAL250004630603	1	37	-1.0	-45.88	284.14	4.97	-40.91
O=C(NC1CC2CC1C1CC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630604	0	37	-1.0	-35.37	294.49	4.75	-30.62
O=C(NC1CC2CC1C1CC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630604	1	37	-1.0	-35.36	294.56	4.75	-30.61
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C(F)(F)F	REAL250004630605	0	29	-1.0	-48.43	268.47	2.36	-46.07
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C(F)(F)F	REAL250004630605	1	29	-1.0	-48.38	268.53	2.37	-46.01
O=C(N[C@@H]1C[C@H]1C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630606	0	29	-1.0	-35.78	279.05	2.14	-33.64
O=C(N[C@@H]1C[C@H]1C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630606	1	29	-1.0	-35.73	279.12	2.15	-33.58
O=C(N[C@H]1CCC[C@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630607	0	36	-1.0	-53.93	296.88	2.60	-51.33
O=C(N[C@H]1CCC[C@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630607	1	36	-1.0	-53.74	296.95	2.62	-51.12
O=C(N[C@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630608	0	33	-1.0	-37.48	282.72	-0.48	-37.96
O=C(N[C@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630608	1	33	-1.0	-37.47	282.79	-0.48	-37.95
O=C(CCCC1=N[N-]N=N1)NOCCCC(F)(F)F	REAL250004630609	0	32	-1.0	-52.70	293.67	3.52	-49.18
O=C(CCCC1=NN=N[N-]1)NOCCCC(F)(F)F	REAL250004630609	1	32	-1.0	-52.69	293.73	3.54	-49.15
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004630610	0	33	-1.0	-46.26	277.81	4.12	-42.14
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004630610	1	33	-1.0	-46.28	277.86	4.14	-42.14
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCS1	REAL250004630611	0	33	-1.0	-34.33	286.20	4.34	-29.99
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCS1	REAL250004630611	1	33	-1.0	-34.32	286.26	4.34	-29.98
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(CCO)C2	REAL250004630612	0	43	-1.0	-51.18	329.87	2.59	-48.59
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(CCO)C2	REAL250004630612	1	43	-1.0	-51.18	329.93	2.60	-48.58
O=C(CCCC1=N[N-]N=N1)NC1C2C1C1CCC2C1	REAL250004630613	0	37	-1.0	-46.58	293.71	4.15	-42.43
O=C(CCCC1=NN=N[N-]1)NC1C2C1C1CCC2C1	REAL250004630613	1	37	-1.0	-46.59	293.77	4.16	-42.43
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630614	0	37	-1.0	-35.00	304.30	3.93	-31.07
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630614	1	37	-1.0	-34.96	304.37	3.94	-31.02
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CC2)C=C1F	REAL250004630615	0	36	-1.0	-45.32	307.30	5.59	-39.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CC2)C=C1F	REAL250004630615	1	36	-1.0	-45.33	307.35	5.60	-39.73
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=CN=C2C1	REAL250004630616	0	36	-1.0	-47.05	299.14	2.94	-44.11
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=CN=C2C1	REAL250004630616	1	36	-1.0	-47.08	299.19	2.95	-44.13
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCC2)CC1	REAL250004630617	0	45	-1.0	-47.30	338.68	7.16	-40.14
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCC2)CC1	REAL250004630617	1	45	-1.0	-47.31	338.73	7.17	-40.14
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)OCC1CC12	REAL250004630618	0	35	-1.0	-49.84	293.92	2.89	-46.95
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)OCC1CC12	REAL250004630618	1	35	-1.0	-49.85	293.98	2.91	-46.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)OCC1CC12	REAL250004630619	0	35	-1.0	-36.54	301.87	2.79	-33.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)OCC1CC12	REAL250004630619	1	35	-1.0	-36.52	301.94	2.80	-33.72
COC(=O)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630620	0	33	-1.0	-51.27	292.11	-0.12	-51.39
COC(=O)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630620	1	33	-1.0	-51.29	292.16	-0.11	-51.40
CC1CC(C)(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004630621	0	39	-1.0	-45.92	303.66	2.37	-43.55
CC1CC(C)(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004630621	1	39	-1.0	-45.94	303.72	2.39	-43.55
COC(=O)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630622	0	34	-1.0	-53.29	293.99	2.35	-50.94
COC(=O)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630622	1	34	-1.0	-53.30	294.05	2.36	-50.94
COC(=O)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630623	0	34	-1.0	-42.10	304.58	2.16	-39.94
COC(=O)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630623	1	34	-1.0	-42.06	304.65	2.17	-39.89
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004630624	0	43	-1.0	-45.55	327.41	2.77	-42.78
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004630624	1	43	-1.0	-45.55	327.47	2.79	-42.76
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCCO2)CCC1	REAL250004630625	0	43	-1.0	-50.07	333.28	4.96	-45.11
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCCO2)CCC1	REAL250004630625	1	43	-1.0	-50.12	333.34	4.97	-45.15
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCOCC1	REAL250004630626	0	40	-1.0	-47.48	323.92	2.82	-44.66
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCOCC1	REAL250004630626	1	40	-1.0	-47.48	323.98	2.84	-44.64
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=CNC2=CC=C1	REAL250004630627	0	36	-1.0	-49.16	310.26	3.50	-45.66
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=CNC2=CC=C1	REAL250004630627	1	36	-1.0	-49.17	310.32	3.51	-45.66
O=C(CCCC1=N[N-]N=N1)N[C@]12CCC[C@H]1OCC2	REAL250004630628	0	37	-1.0	-45.91	292.41	1.60	-44.31
O=C(CCCC1=NN=N[N-]1)N[C@]12CCC[C@H]1OCC2	REAL250004630628	1	37	-1.0	-45.95	292.46	1.62	-44.33
O=C(CCCC1=N[N-]N=N1)NC1CCCN2N=CC=C12	REAL250004630629	0	36	-1.0	-51.43	297.33	2.13	-49.30
O=C(CCCC1=NN=N[N-]1)NC1CCCN2N=CC=C12	REAL250004630629	1	36	-1.0	-51.42	297.38	2.14	-49.28
CCOC1CC1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004630630	0	37	-1.0	-46.45	322.59	0.60	-45.85
CCOC1CC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004630630	1	37	-1.0	-46.48	322.65	0.62	-45.86
CC1(C2CCCCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630631	0	45	-1.0	-50.72	338.66	6.46	-44.26
CC1(C2CCCCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630631	1	45	-1.0	-50.77	338.72	6.47	-44.30
CC1CC(CO)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630632	0	39	-1.0	-46.49	302.80	1.54	-44.95
CC1CC(CO)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630632	1	39	-1.0	-46.54	302.86	1.56	-44.98
CS(=O)(=O)SCCNC(=O)CCCC1=N[N-]N=N1	REAL250004630633	0	32	-1.0	-63.30	299.03	-0.49	-63.79
CS(=O)(=O)SCCNC(=O)CCCC1=NN=N[N-]1	REAL250004630633	1	32	-1.0	-63.33	299.09	-0.47	-63.80
O=C(NC1=NSC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630634	0	28	-1.0	-61.31	263.52	5.06	-56.25
O=C(NC1=NSC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630634	1	28	-1.0	-60.82	263.80	5.10	-55.72
O=C(NC1=NSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630635	0	25	-1.0	-39.66	249.84	1.93	-37.73
O=C(NC1=NSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630635	1	25	-1.0	-39.67	249.77	1.92	-37.75
O=C(CNC(=O)CCCC1=N[N-]N=N1)CC1CCCCC1	REAL250004630636	0	43	-1.0	-45.77	341.92	4.55	-41.22
O=C(CNC(=O)CCCC1=NN=N[N-]1)CC1CCCCC1	REAL250004630636	1	43	-1.0	-45.78	341.98	4.57	-41.21
CN(CC1=NC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004630638	0	33	-1.0	-51.72	287.15	2.87	-48.85
CN(CC1=NC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004630638	1	33	-1.0	-51.74	287.21	2.89	-48.85
CN(CC1=NC=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630639	0	33	-1.0	-40.07	294.84	3.27	-36.80
CN(CC1=NC=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630639	1	33	-1.0	-40.03	294.91	3.28	-36.75
CN1N=CC=C1C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630640	0	37	-1.0	-52.64	313.61	0.08	-52.56
CN1N=CC=C1C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630640	1	37	-1.0	-52.60	313.56	0.06	-52.54
CC1=CNC(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)=N1	REAL250004630641	0	39	-1.0	-55.73	324.68	2.52	-53.21
CC1=CNC(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)=N1	REAL250004630641	1	39	-1.0	-55.76	324.73	2.54	-53.22
COC(=O)[C@]1(NC(=O)CCCC2=N[N-]N=N2)C[C@@H](O)C1	REAL250004630642	0	36	-1.0	-53.49	309.22	-1.02	-54.51
COC(=O)[C@]1(NC(=O)CCCC2=NN=N[N-]2)C[C@@H](O)C1	REAL250004630642	1	36	-1.0	-53.49	309.28	-1.01	-54.50
CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004630643	0	41	-1.0	-50.05	324.98	1.70	-48.35
CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004630643	1	41	-1.0	-50.08	325.04	1.72	-48.36
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)CC1	REAL250004630644	0	36	-1.0	-39.69	292.61	2.81	-36.88
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)CC1	REAL250004630644	1	36	-1.0	-39.52	292.72	2.81	-36.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)CC1	REAL250004630645	0	33	-1.0	-36.54	275.65	0.54	-36.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)CC1	REAL250004630645	1	33	-1.0	-36.52	275.71	0.54	-35.98
COC[C@@H](C)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630646	0	38	-1.0	-38.06	305.96	5.12	-32.94
COC[C@@H](C)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630646	1	38	-1.0	-37.94	306.04	5.14	-32.80
COC[C@@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630647	0	35	-1.0	-35.86	290.58	2.95	-32.91
COC[C@@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630647	1	35	-1.0	-35.81	290.65	2.97	-32.84
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCOCC1	REAL250004630648	0	37	-1.0	-47.16	308.80	0.06	-47.10
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCOCC1	REAL250004630648	1	37	-1.0	-47.17	308.86	0.08	-47.09
COC(=O)C1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=N1	REAL250004630649	0	34	-1.0	-52.02	307.67	-1.22	-53.24
COC(=O)C1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=N1	REAL250004630649	1	34	-1.0	-52.03	307.61	-1.24	-53.27
CC1=C(C)OC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004630650	0	34	-1.0	-48.34	297.12	-0.39	-48.73
CC1=C(C)OC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004630650	1	34	-1.0	-48.34	297.18	-0.37	-48.71
CC1=C(C)OC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004630651	0	34	-1.0	-38.62	308.25	-0.58	-39.20
CC1=C(C)OC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004630651	1	34	-1.0	-38.55	308.31	-0.58	-39.13
CN1C=CN=C1C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630652	0	37	-1.0	-50.68	317.58	0.62	-50.06
CN1C=CN=C1C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630652	1	37	-1.0	-50.70	317.63	0.63	-50.07
CN1N=NC=C1C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630653	0	36	-1.0	-55.73	306.80	-0.46	-56.19
CN1N=NC=C1C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630653	1	36	-1.0	-55.72	306.74	-0.48	-56.20
O=C(CCCC1=NN=N[N-]1)N1CC(N2C=CN=N2)C1	REAL250004630654	0	32	-1.0	-54.26	279.92	1.53	-52.73
O=C(CCCC1=N[N-]N=N1)N1CC(N2C=CN=N2)C1	REAL250004630654	1	32	-1.0	-54.23	279.87	1.51	-52.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(N2C=CN=N2)C1	REAL250004630655	0	32	-1.0	-40.22	287.88	1.46	-38.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(N2C=CN=N2)C1	REAL250004630655	1	32	-1.0	-40.23	287.81	1.44	-38.79
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004630656	0	39	-1.0	-49.21	322.63	2.52	-46.69
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004630656	1	39	-1.0	-49.23	322.69	2.54	-46.69
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630657	0	35	-1.0	-55.54	308.13	-0.57	-56.11
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630657	1	35	-1.0	-55.55	308.19	-0.56	-56.11
O=C(NCC1CCS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630658	0	33	-1.0	-54.27	291.91	5.14	-49.13
O=C(NCC1CCS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630658	1	33	-1.0	-54.13	292.01	5.17	-48.96
O=C(NCC1CCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630659	0	30	-1.0	-38.56	278.13	2.04	-36.52
O=C(NCC1CCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630659	1	30	-1.0	-38.55	278.20	2.04	-36.51
C[C@@H]1CC[C@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004630660	0	36	-1.0	-49.30	281.20	1.03	-48.27
C[C@@H]1CC[C@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004630660	1	36	-1.0	-49.29	281.26	1.04	-48.25
C[C@@H]1CC[C@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630661	0	36	-1.0	-36.11	289.48	1.19	-34.92
C[C@@H]1CC[C@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630661	1	36	-1.0	-36.11	289.54	1.20	-34.91
O=C(CCCC1=N[N-]N=N1)N1CCCC2CCNC(=O)C21	REAL250004630662	0	40	-1.0	-57.76	307.90	3.38	-54.38
O=C(CCCC1=NN=N[N-]1)N1CCCC2CCNC(=O)C21	REAL250004630662	1	40	-1.0	-57.77	307.95	3.40	-54.37
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004630663	0	34	-1.0	-53.17	292.26	4.47	-48.70
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004630663	1	34	-1.0	-53.15	292.20	4.46	-48.69
CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004630664	0	34	-1.0	-39.47	302.85	4.25	-35.22
CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004630664	1	34	-1.0	-39.53	302.78	4.25	-35.28
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC=NC=C2C1	REAL250004630665	0	34	-1.0	-49.53	285.25	3.74	-45.79
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC=NC=C2C1	REAL250004630665	1	34	-1.0	-49.60	285.30	3.76	-45.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2C=CC1C2	REAL250004630666	0	34	-1.0	-57.19	278.75	6.54	-50.65
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2C=CC1C2	REAL250004630666	1	34	-1.0	-56.95	278.85	6.56	-50.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C=CC1C2	REAL250004630667	0	31	-1.0	-36.81	266.79	4.22	-32.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C=CC1C2	REAL250004630667	1	31	-1.0	-36.82	266.86	4.23	-32.59
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCCO2)CC1	REAL250004630668	0	43	-1.0	-46.53	322.36	4.37	-42.16
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCCO2)CC1	REAL250004630668	1	43	-1.0	-46.51	322.42	4.39	-42.12
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL250004630669	0	40	-1.0	-49.31	319.46	6.85	-42.46
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL250004630669	1	40	-1.0	-49.35	319.51	6.87	-42.48
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004630670	0	42	-1.0	-46.24	323.45	2.88	-43.36
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004630670	1	42	-1.0	-46.20	323.50	2.89	-43.31
O=C(CCCC1=N[N-]N=N1)NC1CCC2(COC2)CC1	REAL250004630671	0	40	-1.0	-48.75	317.72	2.13	-46.62
O=C(CCCC1=NN=N[N-]1)NC1CCC2(COC2)CC1	REAL250004630671	1	40	-1.0	-48.78	317.78	2.14	-46.64
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)COCCO2	REAL250004630672	0	41	-1.0	-48.03	315.85	2.64	-45.39
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)COCCO2	REAL250004630672	1	41	-1.0	-48.07	315.91	2.66	-45.41
NS(=O)(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630673	0	34	-1.0	-52.37	306.89	-3.07	-55.44
NS(=O)(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630673	1	34	-1.0	-52.38	306.95	-3.05	-55.43
N#CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004630674	0	32	-1.0	-62.56	291.14	4.15	-58.41
N#CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004630674	1	32	-1.0	-62.58	291.20	4.16	-58.42
CCN1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630676	0	37	-1.0	-36.06	310.03	-0.13	-36.19
CCN1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630676	1	37	-1.0	-36.04	310.10	-0.13	-36.17
C#CC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630678	0	37	-1.0	-48.95	296.67	5.65	-43.30
C#CC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630678	1	37	-1.0	-48.97	296.73	5.66	-43.31
C#CC1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630679	0	37	-1.0	-36.74	303.54	6.41	-30.33
C#CC1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630679	1	37	-1.0	-36.74	303.61	6.43	-30.31
C#CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630680	0	38	-1.0	-47.57	310.23	2.26	-45.31
C#CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630680	1	38	-1.0	-47.61	310.29	2.27	-45.34
COC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630681	0	36	-1.0	-54.31	306.57	0.52	-53.79
COC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630681	1	36	-1.0	-54.34	306.62	0.54	-53.80
CC(C)(C)C12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004630682	0	42	-1.0	-48.15	338.68	4.63	-43.52
CC(C)(C)C12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004630682	1	42	-1.0	-48.15	338.73	4.64	-43.51
C#CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCC1	REAL250004630683	0	37	-1.0	-55.66	309.70	6.36	-49.30
C#CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCC1	REAL250004630683	1	37	-1.0	-55.48	309.79	6.38	-49.10
C#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004630684	0	34	-1.0	-36.95	295.89	3.26	-33.69
C#CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004630684	1	34	-1.0	-36.91	295.96	3.27	-33.64
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCC2)O1	REAL250004630685	0	40	-1.0	-47.14	323.88	2.82	-44.32
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCC2)O1	REAL250004630685	1	40	-1.0	-47.12	323.94	2.83	-44.29
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC=CC1CO	REAL250004630686	0	34	-1.0	-55.37	283.61	2.62	-52.75
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC=CC1CO	REAL250004630686	1	34	-1.0	-55.49	283.11	2.62	-52.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CC1CO	REAL250004630687	0	31	-1.0	-38.19	271.46	0.31	-37.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CC1CO	REAL250004630687	1	31	-1.0	-38.15	271.53	0.31	-37.84
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCO2	REAL250004630688	0	40	-1.0	-51.01	313.38	3.48	-47.53
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCO2	REAL250004630688	1	40	-1.0	-51.00	313.44	3.50	-47.50
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@]12CCCO2	REAL250004630689	0	40	-1.0	-50.75	313.85	3.54	-47.21
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@]12CCCO2	REAL250004630689	1	40	-1.0	-50.75	313.91	3.55	-47.20
C=C(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004630690	0	36	-1.0	-46.31	301.38	0.44	-45.87
C=C(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004630690	1	36	-1.0	-46.31	301.44	0.46	-45.85
C=C(C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630691	0	36	-1.0	-36.50	314.37	0.08	-36.42
C=C(C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630691	1	36	-1.0	-36.50	314.44	0.10	-36.40
CC1COCC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004630692	0	36	-1.0	-45.59	281.76	2.58	-43.01
CC1COCC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004630692	1	36	-1.0	-45.61	281.82	2.60	-43.01
CC1COCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630693	0	36	-1.0	-34.55	289.17	2.81	-31.74
CC1COCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630693	1	36	-1.0	-34.54	289.23	2.82	-31.72
O=C(CCCC1=N[N-]N=N1)NC1COC2(CCC2)C1	REAL250004630694	0	37	-1.0	-46.53	302.45	2.04	-44.49
O=C(CCCC1=NN=N[N-]1)NC1COC2(CCC2)C1	REAL250004630694	1	37	-1.0	-46.55	302.51	2.05	-44.50
COC[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630695	0	35	-1.0	-51.61	296.04	3.43	-48.18
COC[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630695	1	35	-1.0	-51.80	296.54	3.40	-48.40
COC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630696	0	32	-1.0	-35.92	282.31	0.28	-35.64
COC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630696	1	32	-1.0	-35.92	282.38	0.29	-35.63
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(CC2CC2)C1	REAL250004630697	0	40	-1.0	-52.53	335.85	3.14	-49.39
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(CC2CC2)C1	REAL250004630697	1	40	-1.0	-52.53	335.91	3.16	-49.37
COC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004630698	0	33	-1.0	-53.14	286.39	-0.04	-53.18
COC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004630698	1	33	-1.0	-53.14	286.34	-0.06	-53.20
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC(=O)N[C@H]1C1CC1	REAL250004630699	0	40	-1.0	-50.24	325.81	1.97	-48.27
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC(=O)N[C@H]1C1CC1	REAL250004630699	1	40	-1.0	-50.23	325.87	1.98	-48.25
O=C(CCCC1=N[N-]N=N1)NCCC1CCCC1(F)F	REAL250004630700	0	38	-1.0	-51.44	313.24	3.88	-47.56
O=C(CCCC1=NN=N[N-]1)NCCC1CCCC1(F)F	REAL250004630700	1	38	-1.0	-51.44	313.30	3.90	-47.54
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CF)C1	REAL250004630701	0	35	-1.0	-36.99	285.69	6.14	-30.85
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CF)C1	REAL250004630701	1	35	-1.0	-38.01	287.61	6.12	-31.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CF)C1	REAL250004630702	0	32	-1.0	-37.93	277.40	3.78	-34.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CF)C1	REAL250004630702	1	32	-1.0	-37.91	277.47	3.78	-34.13
N#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004630703	0	36	-1.0	-50.29	299.72	3.27	-47.02
N#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004630703	1	36	-1.0	-50.32	299.77	3.28	-47.04
N#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004630704	0	36	-1.0	-36.98	313.50	3.33	-33.65
N#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004630704	1	36	-1.0	-36.98	313.56	3.34	-33.64
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCCO2	REAL250004630705	0	43	-1.0	-45.33	324.42	4.33	-41.00
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCCO2	REAL250004630705	1	43	-1.0	-45.34	324.48	4.34	-41.00
CC(=O)N1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004630706	0	40	-1.0	-57.07	322.45	3.10	-53.97
CC(=O)N1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004630706	1	40	-1.0	-57.07	322.50	3.12	-53.95
O=C(CCCC1=NN=N[N-]1)NC1(C2=NC=CC=N2)CCC1	REAL250004630707	0	37	-1.0	-52.04	312.06	2.74	-49.30
O=C(CCCC1=N[N-]N=N1)NC1(C2=NC=CC=N2)CCC1	REAL250004630707	1	37	-1.0	-52.05	312.00	2.73	-49.32
N#CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C1CC1	REAL250004630708	0	37	-1.0	-53.69	321.28	5.68	-48.01
N#CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C1CC1	REAL250004630708	1	37	-1.0	-53.70	321.34	5.70	-48.00
O=C(CCCC1=N[N-]N=N1)N1CCCC(CF)C1	REAL250004630709	0	35	-1.0	-50.59	283.74	4.32	-46.27
O=C(CCCC1=NN=N[N-]1)N1CCCC(CF)C1	REAL250004630709	1	35	-1.0	-50.61	283.80	4.34	-46.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CF)C1	REAL250004630710	0	35	-1.0	-37.61	292.05	4.52	-33.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CF)C1	REAL250004630710	1	35	-1.0	-37.59	292.12	4.53	-33.06
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(F)CC1	REAL250004630711	0	35	-1.0	-54.54	287.07	6.18	-48.36
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(F)CC1	REAL250004630711	1	35	-1.0	-54.40	287.22	6.19	-48.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)CC1	REAL250004630712	0	32	-1.0	-35.42	270.93	3.97	-31.45
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(F)CC1	REAL250004630712	1	32	-1.0	-35.42	271.00	3.97	-31.45
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CS2)C1	REAL250004630713	0	35	-1.0	-49.91	308.10	3.66	-46.25
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CS2)C1	REAL250004630713	1	35	-1.0	-49.87	308.16	3.67	-46.20
C[C@@H]1CC[C@H](CO)N1C(=O)CCCC1=N[N-]N=N1	REAL250004630714	0	36	-1.0	-47.14	284.52	1.22	-45.92
C[C@@H]1CC[C@H](CO)N1C(=O)CCCC1=NN=N[N-]1	REAL250004630714	1	36	-1.0	-47.14	284.57	1.23	-45.91
C[C@@H]1CC[C@H](CO)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630715	0	36	-1.0	-37.98	290.11	1.40	-36.58
C[C@@H]1CC[C@H](CO)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630715	1	36	-1.0	-37.91	290.18	1.41	-36.50
CC1(C2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630716	0	42	-1.0	-49.45	330.42	7.11	-42.34
CC1(C2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630716	1	42	-1.0	-49.46	330.48	7.12	-42.34
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1C	REAL250004630717	0	34	-1.0	-48.22	286.81	2.77	-45.45
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1C	REAL250004630717	1	34	-1.0	-48.23	286.87	2.78	-45.45
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CN=C1C	REAL250004630718	0	34	-1.0	-36.58	297.40	2.55	-34.03
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CN=C1C	REAL250004630718	1	34	-1.0	-36.62	297.46	2.56	-34.06
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CC2(O)C1	REAL250004630719	0	34	-1.0	-54.55	284.63	2.56	-51.99
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CC2(O)C1	REAL250004630719	1	34	-1.0	-54.52	284.82	2.62	-51.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC2(O)C1	REAL250004630720	0	31	-1.0	-36.28	271.45	0.33	-35.95
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC2(O)C1	REAL250004630720	1	31	-1.0	-36.24	271.52	0.34	-35.90
O=C(NCC1C=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630721	0	36	-1.0	-52.44	301.19	5.96	-46.48
O=C(NCC1C=CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630721	1	36	-1.0	-52.28	301.29	5.98	-46.30
O=C(NCC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630722	0	33	-1.0	-35.18	287.41	2.86	-32.32
O=C(NCC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630722	1	33	-1.0	-35.18	287.47	2.86	-32.32
COC1COCCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004630723	0	40	-1.0	-49.91	318.34	1.61	-48.30
COC1COCCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004630723	1	40	-1.0	-49.89	318.40	1.62	-48.27
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NS1	REAL250004630724	0	31	-1.0	-50.48	285.39	2.07	-48.41
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NS1	REAL250004630724	1	31	-1.0	-50.49	285.45	2.08	-48.41
CC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)OC1	REAL250004630725	0	42	-1.0	-46.39	330.84	2.73	-43.66
CC1(C)CCC(CNC(=O)CCCC2=NN=N[N-]2)OC1	REAL250004630725	1	42	-1.0	-46.40	330.89	2.74	-43.66
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=COC=C1	REAL250004630726	0	39	-1.0	-48.73	325.34	0.78	-47.95
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=COC=C1	REAL250004630726	1	39	-1.0	-48.70	325.39	0.80	-47.90
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004630727	0	38	-1.0	-46.88	298.74	4.79	-42.09
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004630727	1	38	-1.0	-46.93	298.80	4.81	-42.12
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL250004630728	0	38	-1.0	-36.35	305.98	5.03	-31.32
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL250004630728	1	38	-1.0	-36.31	306.05	5.04	-31.27
C#CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004630729	0	31	-1.0	-56.22	278.01	5.19	-51.03
C#CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004630729	1	31	-1.0	-56.06	278.11	5.19	-50.87
C#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004630730	0	28	-1.0	-37.61	264.29	2.05	-35.56
C#CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004630730	1	28	-1.0	-37.58	264.36	2.06	-35.52
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004630731	0	35	-1.0	-53.49	301.23	4.36	-49.13
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004630731	1	35	-1.0	-53.52	301.28	4.37	-49.15
C=C1C[C@@H](C(=O)OC)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630732	0	36	-1.0	-53.45	308.05	4.73	-48.72
C=C1C[C@@H](C(=O)OC)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630732	1	36	-1.0	-53.49	308.10	4.75	-48.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC(O)=CC=C1Cl	REAL250004630733	0	33	-1.0	-47.93	304.48	1.07	-46.86
O=C(CCCC1=NN=N[N-]1)NCC1=CC(O)=CC=C1Cl	REAL250004630733	1	33	-1.0	-47.98	304.54	1.09	-46.89
COC(=O)[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004630734	0	40	-1.0	-44.49	321.80	3.29	-41.20
COC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004630734	1	40	-1.0	-44.54	321.86	3.31	-41.23
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(Cl)=N1	REAL250004630735	0	34	-1.0	-48.65	310.15	2.69	-45.96
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(Cl)=N1	REAL250004630735	1	34	-1.0	-48.66	310.21	2.71	-45.95
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@@H](O)CC1	REAL250004630737	0	36	-1.0	-47.18	288.07	0.23	-46.95
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@@H](O)CC1	REAL250004630737	1	36	-1.0	-47.13	288.13	0.25	-46.88
O=C(N[C@H]1CC[C@@H](O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630738	0	36	-1.0	-38.16	298.66	0.03	-38.13
O=C(N[C@H]1CC[C@@H](O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630738	1	36	-1.0	-38.09	298.73	0.05	-38.04
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H]([C@@H](O)CO)C1	REAL250004630739	0	38	-1.0	-50.72	309.87	-3.11	-53.83
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H]([C@@H](O)CO)C1	REAL250004630739	1	38	-1.0	-50.70	309.93	-3.10	-53.80
NC(=O)CN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004630740	0	40	-1.0	-57.88	320.34	-0.02	-57.90
NC(=O)CN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004630740	1	40	-1.0	-57.94	320.39	-0.01	-57.95
COC[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630741	0	36	-1.0	-48.78	300.59	1.58	-47.20
COC[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630741	1	36	-1.0	-48.82	300.65	1.59	-47.23
COC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630742	0	36	-1.0	-36.50	311.12	1.37	-35.13
COC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630742	1	36	-1.0	-36.45	311.19	1.38	-35.07
O=C(NC1CC(C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630743	0	39	-1.0	-52.55	322.88	7.04	-45.51
O=C(NC1CC(C2CC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630743	1	39	-1.0	-52.24	323.36	7.03	-45.21
O=C(NC1CC(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630744	0	36	-1.0	-34.96	309.87	3.88	-31.08
O=C(NC1CC(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630744	1	36	-1.0	-34.93	309.94	3.89	-31.04
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004630745	0	39	-1.0	-46.09	302.41	4.46	-41.63
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004630745	1	39	-1.0	-46.13	302.47	4.47	-41.66
O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630746	0	39	-1.0	-34.83	312.52	4.24	-30.59
O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630746	1	39	-1.0	-34.83	312.59	4.24	-30.59
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(O)=C1C	REAL250004630747	0	36	-1.0	-50.47	301.06	1.80	-48.67
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(O)=C1C	REAL250004630747	1	36	-1.0	-50.46	301.11	1.81	-48.65
O=C(CCCC1=N[N-]N=N1)NCC1(CC2CC2)CC1	REAL250004630748	0	39	-1.0	-46.17	315.81	5.04	-41.13
O=C(CCCC1=NN=N[N-]1)NCC1(CC2CC2)CC1	REAL250004630748	1	39	-1.0	-46.22	315.86	5.06	-41.16
O=C(NCC1(CC2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630749	0	39	-1.0	-34.78	325.55	4.82	-29.96
O=C(NCC1(CC2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630749	1	39	-1.0	-34.74	325.61	4.83	-29.91
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004630750	1	40	-1.0	-46.44	301.96	2.28	-44.16
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004630750	1	40	-1.0	-46.48	302.01	2.29	-44.19
O=C(CCCC1=N[N-]N=N1)N1CC(CCC(F)(F)F)C1	REAL250004630751	0	35	-1.0	-50.11	308.87	4.61	-45.50
O=C(CCCC1=NN=N[N-]1)N1CC(CCC(F)(F)F)C1	REAL250004630751	1	35	-1.0	-50.09	308.93	4.62	-45.47
O=C(CCCC1=N[N-]N=N1)N1CC(CC2CCOCC2)C1	REAL250004630752	0	43	-1.0	-48.94	339.33	4.14	-44.80
O=C(CCCC1=NN=N[N-]1)N1CC(CC2CCOCC2)C1	REAL250004630752	1	43	-1.0	-48.99	339.39	4.16	-44.83
C#CC1(F)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004630753	0	31	-1.0	-56.76	280.90	5.65	-51.11
C#CC1(F)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004630753	1	31	-1.0	-56.57	280.96	5.66	-50.91
C#CC1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004630754	0	28	-1.0	-38.64	268.50	3.17	-35.47
C#CC1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004630754	1	28	-1.0	-38.59	268.57	3.18	-35.41
CN1N=CN=C1C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630755	0	36	-1.0	-52.09	309.23	1.01	-51.08
CN1N=CN=C1C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630755	1	36	-1.0	-52.06	309.18	0.99	-51.07
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004630756	0	35	-1.0	-46.73	294.55	3.29	-43.44
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004630756	1	35	-1.0	-46.71	294.61	3.30	-43.41
CCCC(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004630757	0	40	-1.0	-46.39	319.47	3.93	-42.46
CCCC(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004630757	1	40	-1.0	-46.45	319.52	3.94	-42.51
CCCC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630758	0	40	-1.0	-34.70	330.06	3.72	-30.98
CCCC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630758	1	40	-1.0	-34.65	330.13	3.73	-30.92
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004630759	0	37	-1.0	-47.70	301.12	3.41	-44.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004630759	1	37	-1.0	-47.70	301.17	3.43	-44.27
CC1(C)CC1(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004630760	0	38	-1.0	-45.83	305.77	4.06	-41.77
CC1(C)CC1(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004630760	1	38	-1.0	-45.84	305.83	4.07	-41.77
CC1(C)CC1(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630761	0	38	-1.0	-34.63	316.36	3.85	-30.78
CC1(C)CC1(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630761	1	38	-1.0	-34.66	316.43	3.86	-30.80
COC(=O)[C@H](CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004630762	0	35	-1.0	-51.08	307.77	1.05	-50.03
COC(=O)[C@H](CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004630762	1	35	-1.0	-51.12	307.83	1.07	-50.05
C[C@H]1C[C@@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630763	0	32	-1.0	-52.99	275.41	4.89	-48.10
C[C@H]1C[C@@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630763	1	32	-1.0	-52.76	275.08	4.93	-47.83
O=C(NC1C2(CC2)C12CC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630764	0	37	-1.0	-52.97	318.61	7.23	-45.74
O=C(NC1C2(CC2)C12CC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630764	1	37	-1.0	-52.85	319.09	7.23	-45.62
O=C(NC1C2(CC2)C12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630765	0	34	-1.0	-35.21	304.86	4.11	-31.10
O=C(NC1C2(CC2)C12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630765	1	34	-1.0	-35.20	304.93	4.13	-31.07
CC1C2=C(C=CS2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004630766	0	36	-1.0	-46.90	299.74	5.42	-41.48
CC1C2=C(C=CS2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004630766	1	36	-1.0	-46.94	299.80	5.43	-41.51
O=C(CCCC1=N[N-]N=N1)NN1CC2CCCC(C2)C1	REAL250004630767	0	41	-1.0	-48.02	309.77	5.19	-42.83
O=C(CCCC1=NN=N[N-]1)NN1CC2CCCC(C2)C1	REAL250004630767	1	41	-1.0	-48.01	309.83	5.21	-42.80
C=CC=CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630768	0	36	-1.0	-53.25	313.48	6.09	-47.16
C=CC=CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630768	1	36	-1.0	-53.05	313.55	6.11	-46.94
C=CC=CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630769	0	33	-1.0	-35.31	299.32	3.00	-32.31
C=CC=CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630769	1	33	-1.0	-35.31	299.39	3.02	-32.29
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2CCCC2=C1	REAL250004630782	1	42	-1.0	-48.19	326.38	6.94	-41.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CS1	REAL250004630783	0	38	-1.0	-44.08	319.21	6.12	-37.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CS1	REAL250004630783	1	38	-1.0	-44.11	319.26	6.14	-37.97
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=C2)CC1	REAL250004630785	0	42	-1.0	-45.78	322.26	6.72	-39.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=C2)CC1	REAL250004630785	1	42	-1.0	-45.77	322.32	6.74	-39.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL250004630786	0	35	-1.0	-43.76	291.15	5.31	-38.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL250004630786	1	35	-1.0	-43.76	291.21	5.33	-38.43
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N+](=O)[O-])O1	REAL250004630788	0	34	-1.0	-39.60	298.29	4.43	-35.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N+](=O)[O-])O1	REAL250004630788	1	34	-1.0	-39.61	298.34	4.44	-35.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1Cl	REAL250004630789	0	35	-1.0	-38.52	293.02	5.66	-32.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1Cl	REAL250004630789	1	35	-1.0	-38.53	293.08	5.66	-32.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=N1	REAL250004630790	0	34	-1.0	-47.03	280.30	4.91	-42.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=N1	REAL250004630790	1	34	-1.0	-47.04	280.24	4.90	-42.14
CC1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004630791	0	39	-1.0	-45.64	322.03	5.68	-39.96
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2C=CC1C2	REAL250004630792	0	40	-1.0	-38.23	302.22	6.32	-31.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2C=CC1C2	REAL250004630792	1	40	-1.0	-38.19	302.26	6.33	-31.86
CC1=CC=CC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630793	0	41	-1.0	-45.06	327.32	6.80	-38.26
CC1=CC=CC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630793	1	41	-1.0	-45.06	327.38	6.82	-38.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COCCO1	REAL250004630794	0	35	-1.0	-48.73	277.52	2.47	-46.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COCCO1	REAL250004630794	1	35	-1.0	-48.75	277.58	2.47	-46.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(=O)C=C1	REAL250004630795	0	35	-1.0	-42.64	288.93	2.10	-40.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(=O)C=C1	REAL250004630795	1	35	-1.0	-42.62	288.98	2.12	-40.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CC=CC1=O	REAL250004630796	0	38	-1.0	-59.43	312.94	4.80	-54.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CC=CC1=O	REAL250004630796	1	38	-1.0	-59.50	312.99	4.81	-54.69
CC1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004630797	0	42	-1.0	-45.47	342.74	7.54	-37.93
CC1=CC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004630797	1	42	-1.0	-45.46	342.79	7.55	-37.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN=C1Cl	REAL250004630798	0	34	-1.0	-36.46	283.63	3.60	-32.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN=C1Cl	REAL250004630798	1	34	-1.0	-36.44	283.54	3.59	-32.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL250004630799	0	35	-1.0	-37.84	279.10	5.20	-32.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL250004630799	1	35	-1.0	-37.83	279.16	5.20	-32.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC=C1F	REAL250004630800	0	38	-1.0	-49.42	314.34	6.27	-43.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC=C1F	REAL250004630800	1	38	-1.0	-49.44	314.40	6.28	-43.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CC=C1	REAL250004630801	0	41	-1.0	-43.77	331.94	7.12	-36.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CC=C1	REAL250004630801	1	41	-1.0	-43.77	332.00	7.13	-36.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCC1	REAL250004630802	0	41	-1.0	-37.12	308.30	5.83	-31.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCC1	REAL250004630802	1	41	-1.0	-37.12	308.37	5.84	-31.28
CC(=O)NCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630803	0	38	-1.0	-53.10	311.33	1.64	-51.46
CC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630803	1	38	-1.0	-53.08	311.39	1.66	-51.42
CC(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630804	0	40	-1.0	-43.65	311.11	5.39	-38.26
CC(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630804	1	40	-1.0	-43.68	311.16	5.40	-38.28
CC(=O)NC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004630805	0	44	-1.0	-42.62	338.14	3.14	-39.48
CC(=O)NC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004630805	1	44	-1.0	-42.61	338.19	3.16	-39.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCO1	REAL250004630806	0	36	-1.0	-49.69	276.80	3.70	-45.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCO1	REAL250004630806	1	36	-1.0	-49.67	276.86	3.71	-45.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C(=O)CNC1=O	REAL250004630807	0	37	-1.0	-54.17	307.96	0.68	-53.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C(=O)CNC1=O	REAL250004630807	1	37	-1.0	-54.20	308.02	0.70	-53.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CO)C=C1	REAL250004630808	0	39	-1.0	-41.35	314.25	2.66	-38.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CO)C=C1	REAL250004630808	1	39	-1.0	-41.33	314.33	2.65	-38.68
CC1=CC=CC=C1C=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630809	0	42	-1.0	-45.41	334.92	7.17	-38.24
CC1=CC=CC=C1C=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630809	1	42	-1.0	-45.43	334.97	7.19	-38.24
CC1=CC=CC(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630810	0	42	-1.0	-45.45	342.74	7.53	-37.92
CC1=CC=CC(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630810	1	42	-1.0	-45.46	342.79	7.54	-37.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C(=O)CCC1=O	REAL250004630811	0	38	-1.0	-53.58	313.29	3.20	-50.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C(=O)CCC1=O	REAL250004630811	1	38	-1.0	-53.57	313.35	3.21	-50.36
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N1C	REAL250004630812	0	42	-1.0	-49.70	333.70	6.09	-43.61
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N1C	REAL250004630812	1	42	-1.0	-49.69	333.75	6.11	-43.58
CC1=NC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=CS1	REAL250004630813	0	37	-1.0	-50.60	315.94	4.18	-46.42
CC1=NC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=CS1	REAL250004630813	1	37	-1.0	-50.61	316.00	4.19	-46.42
CSCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630814	0	35	-1.0	-41.93	295.28	4.57	-37.36
CSCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630814	1	35	-1.0	-41.91	295.33	4.58	-37.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC(C)(C)C	REAL250004630815	0	41	-1.0	-46.24	326.96	5.69	-40.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC(C)(C)C	REAL250004630815	1	41	-1.0	-46.24	327.02	5.71	-40.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C(=O)C=C1	REAL250004630816	0	37	-1.0	-37.93	304.97	3.54	-34.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C(=O)C=C1	REAL250004630816	1	37	-1.0	-37.92	305.04	3.56	-34.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=[N+]([O-])C=C1	REAL250004630817	0	35	-1.0	-48.18	286.10	3.64	-44.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=[N+]([O-])C=C1	REAL250004630817	1	35	-1.0	-48.20	286.15	3.65	-44.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCCC1	REAL250004630818	0	47	-1.0	-43.85	352.73	7.29	-36.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCCC1	REAL250004630818	1	47	-1.0	-43.86	352.79	7.30	-36.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)S1	REAL250004630819	0	32	-1.0	-42.50	284.62	4.45	-38.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)S1	REAL250004630819	1	32	-1.0	-42.49	284.68	4.47	-38.02
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004630820	0	35	-1.0	-44.53	285.42	4.45	-40.08
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004630820	1	35	-1.0	-44.54	285.47	4.47	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C#N)=C1	REAL250004630821	0	36	-1.0	-44.23	299.85	5.34	-38.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C#N)=C1	REAL250004630821	1	36	-1.0	-44.21	299.90	5.35	-38.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC(F)=C1	REAL250004630822	0	38	-1.0	-42.72	314.86	6.35	-36.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC(F)=C1	REAL250004630822	1	38	-1.0	-42.69	314.91	6.37	-36.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCCC1	REAL250004630823	0	44	-1.0	-44.51	327.21	6.50	-38.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCCC1	REAL250004630823	1	44	-1.0	-44.46	327.26	6.51	-37.95
CC(=O)NC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630824	0	38	-1.0	-44.18	300.52	1.31	-42.87
CC(=O)NC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630824	1	38	-1.0	-44.17	300.58	1.32	-42.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)NC(N)=O	REAL250004630825	0	37	-1.0	-44.77	293.74	-1.50	-46.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)NC(N)=O	REAL250004630825	1	37	-1.0	-44.77	293.80	-1.48	-46.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CC=C2O1	REAL250004630826	0	38	-1.0	-42.02	314.25	6.41	-35.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CC=C2O1	REAL250004630826	1	38	-1.0	-41.96	314.31	6.43	-35.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC(=O)C=C1	REAL250004630827	0	34	-1.0	-41.42	284.98	1.64	-39.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC(=O)C=C1	REAL250004630827	1	34	-1.0	-41.42	285.04	1.65	-39.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(F)C=C1	REAL250004630828	0	38	-1.0	-44.27	316.96	6.38	-37.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(F)C=C1	REAL250004630828	1	38	-1.0	-44.27	317.02	6.39	-37.88
CC(=O)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630829	0	36	-1.0	-43.07	292.24	3.90	-39.17
CC(=O)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630829	1	36	-1.0	-43.07	292.29	3.91	-39.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL250004630830	0	32	-1.0	-37.15	265.13	4.43	-32.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL250004630830	1	32	-1.0	-37.14	265.19	4.42	-32.72
CC1=CN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004630831	0	36	-1.0	-45.89	296.69	3.65	-42.24
CC1=CN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004630831	1	36	-1.0	-45.87	296.75	3.66	-42.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=C1F	REAL250004630832	0	35	-1.0	-43.18	298.05	5.35	-37.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=C1F	REAL250004630832	1	35	-1.0	-43.21	298.12	5.36	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CSC=C1	REAL250004630833	0	35	-1.0	-44.58	297.56	5.15	-39.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CSC=C1	REAL250004630833	1	35	-1.0	-44.57	297.62	5.16	-39.41
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004630834	0	38	-1.0	-47.20	302.12	5.69	-41.51
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004630834	1	38	-1.0	-47.15	302.18	5.71	-41.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=CC=CC=C1	REAL250004630835	0	39	-1.0	-47.75	318.66	6.26	-41.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=CC=CC=C1	REAL250004630835	1	39	-1.0	-47.74	318.72	6.28	-41.46
COC1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630836	0	39	-1.0	-42.62	307.54	5.44	-37.18
COC1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630836	1	39	-1.0	-42.64	307.61	5.44	-37.20
CC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630837	0	35	-1.0	-42.61	286.28	0.84	-41.77
CC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630837	1	35	-1.0	-42.57	286.33	0.86	-41.71
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC=C1	REAL250004630838	0	35	-1.0	-37.20	282.25	5.11	-32.09
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC=C1	REAL250004630838	1	35	-1.0	-37.16	282.31	5.11	-32.05
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004630839	0	35	-1.0	-46.30	289.41	4.63	-41.67
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004630839	1	35	-1.0	-46.31	289.47	4.65	-41.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(Cl)=C1	REAL250004630840	0	35	-1.0	-43.54	301.47	5.76	-37.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(Cl)=C1	REAL250004630840	1	35	-1.0	-43.51	301.53	5.78	-37.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CO1	REAL250004630841	0	36	-1.0	-45.62	300.13	4.86	-40.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CO1	REAL250004630841	1	36	-1.0	-45.62	300.18	4.88	-40.74
COC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004630842	0	39	-1.0	-47.06	308.17	4.32	-42.74
COC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004630842	1	39	-1.0	-47.05	308.22	4.33	-42.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1F	REAL250004630843	0	35	-1.0	-40.36	284.77	5.23	-35.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1F	REAL250004630843	1	35	-1.0	-40.37	284.84	5.22	-35.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)N1	REAL250004630844	0	36	-1.0	-48.36	290.47	1.07	-47.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)N1	REAL250004630844	1	36	-1.0	-48.39	290.52	1.09	-47.30
CCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004630845	0	41	-1.0	-38.87	324.29	6.76	-32.11
CCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004630845	1	41	-1.0	-38.88	324.37	6.76	-32.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC2=CC=CC=C21	REAL250004630846	0	38	-1.0	-44.08	312.27	5.03	-39.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC2=CC=CC=C21	REAL250004630846	1	38	-1.0	-44.08	312.21	5.01	-39.07
COC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630847	0	39	-1.0	-46.48	314.22	4.54	-41.94
COC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630847	1	39	-1.0	-46.49	314.28	4.56	-41.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C[N+]([O-])=C1	REAL250004630848	0	35	-1.0	-59.20	285.90	3.62	-55.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C[N+]([O-])=C1	REAL250004630848	1	35	-1.0	-59.23	285.96	3.63	-55.60
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C)=C1	REAL250004630849	0	41	-1.0	-45.29	322.71	6.50	-38.79
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C)=C1	REAL250004630849	1	41	-1.0	-45.32	322.77	6.52	-38.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)N=C1	REAL250004630850	0	34	-1.0	-40.89	290.70	3.58	-37.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)N=C1	REAL250004630850	1	34	-1.0	-40.89	290.64	3.57	-37.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)C=C1	REAL250004630851	0	36	-1.0	-36.85	302.22	5.71	-31.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)C=C1	REAL250004630851	1	36	-1.0	-36.86	302.29	5.71	-31.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC1	REAL250004630852	0	38	-1.0	-45.69	289.52	4.98	-40.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC1	REAL250004630852	1	38	-1.0	-45.65	289.58	5.00	-40.65
CC1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630853	0	38	-1.0	-45.08	306.44	6.08	-39.00
CC1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630853	1	38	-1.0	-45.09	306.50	6.09	-39.00
CC1=CC=C(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630854	0	41	-1.0	-39.35	328.62	6.72	-32.63
CC1=CC=C(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630854	1	41	-1.0	-39.38	328.67	6.73	-32.65
CC1=CC(C)=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630855	0	41	-1.0	-38.57	317.52	6.34	-32.23
CC1=CC(C)=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630855	1	41	-1.0	-38.58	317.59	6.35	-32.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCC1	REAL250004630856	0	44	-1.0	-44.11	336.25	6.70	-37.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCC1	REAL250004630856	1	44	-1.0	-44.11	336.30	6.71	-37.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(Cl)=N1	REAL250004630857	0	34	-1.0	-44.23	292.90	5.15	-39.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(Cl)=N1	REAL250004630857	1	34	-1.0	-44.28	292.84	5.13	-39.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC=C1	REAL250004630858	0	34	-1.0	-36.67	277.10	3.53	-33.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC=C1	REAL250004630858	1	34	-1.0	-36.65	276.95	3.53	-33.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=C1	REAL250004630859	0	35	-1.0	-43.67	287.15	5.08	-38.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=C1	REAL250004630859	1	35	-1.0	-43.65	287.20	5.09	-38.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL250004630860	0	35	-1.0	-35.96	298.13	5.84	-30.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250004630860	1	35	-1.0	-35.94	298.20	5.84	-30.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN=C1	REAL250004630861	0	34	-1.0	-40.54	275.62	3.36	-37.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN=C1	REAL250004630861	1	34	-1.0	-40.56	275.58	3.37	-37.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CS1	REAL250004630862	0	35	-1.0	-44.93	300.78	5.42	-39.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CS1	REAL250004630862	1	35	-1.0	-44.92	300.83	5.44	-39.48
CC1=NOC(C)=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630863	0	40	-1.0	-47.82	327.69	5.07	-42.75
CC1=NOC(C)=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630863	1	40	-1.0	-47.84	327.74	5.08	-42.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(F)=C1	REAL250004630864	0	35	-1.0	-33.41	293.16	5.34	-28.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(F)=C1	REAL250004630864	1	35	-1.0	-33.39	293.17	5.33	-28.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOCC1	REAL250004630865	0	39	-1.0	-46.26	298.20	3.24	-43.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOCC1	REAL250004630865	1	39	-1.0	-46.28	298.26	3.25	-43.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CSC=C1	REAL250004630866	0	38	-1.0	-42.94	321.93	6.04	-36.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CSC=C1	REAL250004630866	1	38	-1.0	-42.90	321.99	6.06	-36.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1C=CCC1	REAL250004630867	0	39	-1.0	-44.43	305.40	5.89	-38.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C=CCC1	REAL250004630867	1	39	-1.0	-44.42	305.46	5.91	-38.51
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)S1	REAL250004630868	0	38	-1.0	-38.57	312.57	5.93	-32.64
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)S1	REAL250004630868	1	38	-1.0	-38.55	312.62	5.94	-32.61
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CO1	REAL250004630869	0	35	-1.0	-45.50	288.52	4.13	-41.37
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CO1	REAL250004630869	1	35	-1.0	-45.52	288.58	4.15	-41.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCNC(N)=O	REAL250004630870	0	43	-1.0	-53.89	344.26	0.33	-53.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCNC(N)=O	REAL250004630870	1	43	-1.0	-53.92	344.32	0.34	-53.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC=C1	REAL250004630871	0	32	-1.0	-47.29	267.66	3.92	-43.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC=C1	REAL250004630871	1	32	-1.0	-47.30	267.72	3.93	-43.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC=C1F	REAL250004630872	0	35	-1.0	-39.60	290.90	5.30	-34.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC=C1F	REAL250004630872	1	35	-1.0	-39.65	290.96	5.29	-34.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CN=C1	REAL250004630873	0	40	-1.0	-43.69	326.79	5.33	-38.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CN=C1	REAL250004630873	1	40	-1.0	-43.70	326.85	5.35	-38.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNC(=O)C(C)(C)C	REAL250004630874	0	44	-1.0	-41.85	347.94	3.01	-38.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNC(=O)C(C)(C)C	REAL250004630874	1	44	-1.0	-41.89	348.00	3.02	-38.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CC=C2N1	REAL250004630875	0	39	-1.0	-45.40	312.37	6.21	-39.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CC=C2N1	REAL250004630875	1	39	-1.0	-45.43	312.31	6.20	-39.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCCC1=O	REAL250004630876	0	39	-1.0	-55.56	312.62	3.82	-51.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCCC1=O	REAL250004630876	1	39	-1.0	-55.52	312.67	3.83	-51.69
CC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004630877	0	41	-1.0	-45.27	331.96	6.98	-38.29
CC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004630877	1	41	-1.0	-45.26	332.01	7.00	-38.26
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SN=N1	REAL250004630878	0	36	-1.0	-36.32	295.29	3.35	-32.97
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SN=N1	REAL250004630878	1	36	-1.0	-36.36	295.35	3.34	-33.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=CC=CC2=N1	REAL250004630879	0	38	-1.0	-49.83	314.02	6.98	-42.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=CC=CC2=N1	REAL250004630879	1	38	-1.0	-49.85	313.97	6.97	-42.88
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1F	REAL250004630880	0	38	-1.0	-40.76	307.11	5.93	-34.83
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1F	REAL250004630880	1	38	-1.0	-40.74	307.15	5.93	-34.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCSC1=O	REAL250004630881	0	37	-1.0	-56.67	311.47	3.49	-53.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCSC1=O	REAL250004630881	1	37	-1.0	-56.71	311.53	3.50	-53.21
CC(=O)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630882	0	39	-1.0	-53.22	316.74	4.79	-48.43
CC(=O)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630882	1	39	-1.0	-53.32	316.80	4.80	-48.52
CC1=CC(OCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004630883	0	38	-1.0	-47.39	319.30	3.17	-44.22
CC1=CC(OCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004630883	1	38	-1.0	-47.37	319.36	3.19	-44.18
CC1=NNC(C)=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630884	0	41	-1.0	-49.01	328.13	3.77	-45.24
CC1=NNC(C)=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630884	1	41	-1.0	-48.96	328.07	3.75	-45.21
CC1=NSC(N)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630885	0	36	-1.0	-44.83	306.62	1.66	-43.17
CC1=NSC(N)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630885	1	36	-1.0	-44.81	306.68	1.67	-43.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=NN=N1	REAL250004630886	0	33	-1.0	-54.50	277.17	2.79	-51.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=NN=N1	REAL250004630886	1	33	-1.0	-54.55	277.11	2.77	-51.78
CC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630887	0	34	-1.0	-40.59	284.50	3.59	-37.00
CC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630887	1	34	-1.0	-40.64	284.56	3.60	-37.04
CCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004630888	0	38	-1.0	-46.08	306.80	5.39	-40.69
CCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004630888	1	38	-1.0	-46.12	306.85	5.40	-40.72
CC1=NOC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630889	0	37	-1.0	-35.26	305.37	4.64	-30.62
CC1=NOC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630889	1	37	-1.0	-35.26	305.41	4.65	-30.61
CCC1=NOC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630890	0	40	-1.0	-41.55	308.44	4.37	-37.18
CCC1=NOC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630890	1	40	-1.0	-41.59	308.48	4.38	-37.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)N=C1	REAL250004630891	0	35	-1.0	-45.22	282.94	2.80	-42.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)N=C1	REAL250004630891	1	35	-1.0	-45.22	282.89	2.79	-42.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC(N)=O	REAL250004630892	0	37	-1.0	-53.94	301.27	-1.25	-55.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC(N)=O	REAL250004630892	1	37	-1.0	-53.94	301.32	-1.24	-55.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CSCC1=O	REAL250004630893	0	37	-1.0	-52.46	313.09	3.55	-48.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CSCC1=O	REAL250004630893	1	37	-1.0	-52.48	313.15	3.57	-48.91
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SN=N1	REAL250004630894	0	33	-1.0	-34.84	278.67	2.61	-32.23
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SN=N1	REAL250004630894	1	33	-1.0	-34.85	278.72	2.62	-32.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN(C)N=C1	REAL250004630895	0	39	-1.0	-48.61	324.98	4.71	-43.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN(C)N=C1	REAL250004630895	1	39	-1.0	-48.64	325.04	4.73	-43.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(Cl)=C1	REAL250004630896	0	34	-1.0	-44.55	290.79	3.69	-40.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(Cl)=C1	REAL250004630896	1	34	-1.0	-44.51	290.73	3.67	-40.84
COC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004630897	0	38	-1.0	-42.81	307.85	1.67	-41.14
COC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004630897	1	38	-1.0	-42.81	307.79	1.65	-41.16
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1C	REAL250004630898	0	39	-1.0	-47.09	293.10	4.68	-42.41
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1C	REAL250004630898	1	39	-1.0	-47.07	293.16	4.71	-42.36
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=C1	REAL250004630899	0	35	-1.0	-45.35	282.87	4.41	-40.94
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=C1	REAL250004630899	1	35	-1.0	-45.27	282.92	4.43	-40.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C(=O)CC1	REAL250004630900	0	39	-1.0	-41.29	309.70	3.24	-38.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C(=O)CC1	REAL250004630900	1	39	-1.0	-41.26	309.76	3.25	-38.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC=CCC1	REAL250004630901	0	39	-1.0	-43.69	303.32	5.68	-38.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC=CCC1	REAL250004630901	1	39	-1.0	-43.70	303.38	5.70	-38.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CO1	REAL250004630902	0	38	-1.0	-44.54	312.70	5.23	-39.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CO1	REAL250004630902	1	38	-1.0	-44.54	312.76	5.24	-39.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CN1	REAL250004630903	0	33	-1.0	-34.77	278.54	4.93	-29.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CN1	REAL250004630903	1	33	-1.0	-34.77	278.60	4.92	-29.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([N+](=O)[O-])=CN1	REAL250004630904	0	35	-1.0	-48.34	286.44	4.41	-43.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([N+](=O)[O-])=CN1	REAL250004630904	1	35	-1.0	-48.37	286.50	4.41	-43.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCCC1	REAL250004630905	0	39	-1.0	-45.73	297.29	4.79	-40.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCCC1	REAL250004630905	1	39	-1.0	-45.73	297.35	4.81	-40.92
CC1=C(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL250004630906	0	41	-1.0	-39.98	329.09	6.07	-33.91
CC1=C(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL250004630906	1	41	-1.0	-39.98	329.12	6.08	-33.90
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL250004630907	0	41	-1.0	-40.78	324.67	6.65	-34.13
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL250004630907	1	41	-1.0	-40.77	324.73	6.66	-34.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC=N1	REAL250004630908	0	33	-1.0	-46.01	275.11	3.04	-42.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC=N1	REAL250004630908	1	33	-1.0	-46.03	275.05	3.03	-43.00
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C	REAL250004630909	0	41	-1.0	-47.97	319.16	6.23	-41.74
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C	REAL250004630909	1	41	-1.0	-47.98	319.22	6.24	-41.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC2CCC1C2	REAL250004630910	0	45	-1.0	-44.29	333.27	6.83	-37.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC2CCC1C2	REAL250004630910	1	45	-1.0	-44.27	333.33	6.84	-37.43
COCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004630911	0	39	-1.0	-43.97	319.08	3.51	-40.46
COCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004630911	1	39	-1.0	-44.00	319.13	3.53	-40.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CN1C	REAL250004630912	0	36	-1.0	-42.83	299.06	5.22	-37.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CN1C	REAL250004630912	1	36	-1.0	-42.84	299.12	5.23	-37.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CC=N1	REAL250004630913	0	35	-1.0	-52.87	290.83	3.71	-49.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CC=N1	REAL250004630913	1	35	-1.0	-52.88	290.77	3.70	-49.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC(F)=C1	REAL250004630914	0	35	-1.0	-35.20	287.56	5.16	-30.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC(F)=C1	REAL250004630914	1	35	-1.0	-35.22	287.63	5.17	-30.05
CC(=O)C1=CNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630915	0	38	-1.0	-56.87	299.32	4.10	-52.77
CC(=O)C1=CNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630915	1	38	-1.0	-56.89	299.39	4.10	-52.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC1	REAL250004630916	0	41	-1.0	-44.57	310.54	5.85	-38.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC1	REAL250004630916	1	41	-1.0	-44.54	310.60	5.86	-38.68
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL250004630917	0	38	-1.0	-45.35	310.29	4.93	-40.42
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL250004630917	1	38	-1.0	-45.30	310.35	4.95	-40.35
CC1=NN(C)C(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630918	0	41	-1.0	-44.74	330.90	4.18	-40.56
CC1=NN(C)C(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630918	1	41	-1.0	-44.70	330.96	4.19	-40.51
CC1=CC=C(F)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630919	0	38	-1.0	-44.56	302.52	5.68	-38.88
CC1=CC=C(F)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630919	1	38	-1.0	-44.58	302.58	5.69	-38.89
CCOC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630920	0	39	-1.0	-41.97	321.90	1.30	-40.67
CCOC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630920	1	39	-1.0	-41.96	321.96	1.31	-40.65
CCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004630921	0	38	-1.0	-40.83	305.53	5.61	-35.22
CCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004630921	1	38	-1.0	-40.79	305.60	5.61	-35.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)O1	REAL250004630922	0	32	-1.0	-38.24	279.17	4.61	-33.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)O1	REAL250004630922	1	32	-1.0	-38.25	279.23	4.62	-33.63
CCOC(=O)NCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630923	0	42	-1.0	-49.40	344.04	1.97	-47.43
CCOC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630923	1	42	-1.0	-49.43	344.09	1.98	-47.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CCC1C2	REAL250004630924	0	42	-1.0	-46.38	311.05	6.25	-40.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CCC1C2	REAL250004630924	1	42	-1.0	-46.37	311.11	6.27	-40.10
CCCC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630925	0	41	-1.0	-37.38	325.84	4.84	-32.54
CCCC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630925	1	41	-1.0	-37.41	325.90	4.85	-32.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=NC=C1	REAL250004630926	0	37	-1.0	-45.76	302.46	4.45	-41.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=NC=C1	REAL250004630926	1	37	-1.0	-45.74	302.51	4.46	-41.28
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004630927	0	37	-1.0	-47.69	297.22	3.87	-43.82
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004630927	1	37	-1.0	-47.70	297.28	3.89	-43.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN1C	REAL250004630928	0	36	-1.0	-43.06	285.95	4.97	-38.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN1C	REAL250004630928	1	36	-1.0	-43.06	286.00	4.99	-38.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(C2CC2)=C1	REAL250004630929	0	38	-1.0	-42.42	314.81	6.00	-36.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(C2CC2)=C1	REAL250004630929	1	38	-1.0	-42.42	314.87	6.01	-36.41
CC1=NOC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004630930	0	39	-1.0	-43.04	320.52	2.60	-40.44
CC1=NOC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004630930	1	39	-1.0	-43.03	320.58	2.62	-40.41
CC1=C(C)SC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630931	0	38	-1.0	-38.54	306.68	5.82	-32.72
CC1=C(C)SC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630931	1	38	-1.0	-38.53	306.73	5.81	-32.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NN=CC2=CC=C1	REAL250004630932	0	38	-1.0	-47.56	313.44	3.88	-43.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NN=CC2=CC=C1	REAL250004630932	1	38	-1.0	-47.52	313.39	3.86	-43.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=CNN=C21	REAL250004630932	1	38	-1.0	-50.56	307.06	3.94	-46.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=CNN=C21	REAL250004630932	1	38	-1.0	-50.60	306.98	3.93	-46.67
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C	REAL250004630933	0	38	-1.0	-46.37	309.42	3.69	-42.68
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C	REAL250004630933	1	38	-1.0	-46.36	309.48	3.70	-42.66
CCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630934	0	40	-1.0	-44.30	312.03	5.55	-38.75
CCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630934	1	40	-1.0	-44.27	312.09	5.56	-38.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(C)C	REAL250004630935	0	40	-1.0	-42.61	303.73	5.22	-37.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(C)C	REAL250004630935	1	40	-1.0	-42.63	303.79	5.23	-37.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1(Cl)Cl	REAL250004630936	0	32	-1.0	-39.46	286.09	4.86	-34.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1(Cl)Cl	REAL250004630936	1	32	-1.0	-39.50	286.15	4.87	-34.63
CC1=NC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004630937	0	37	-1.0	-45.77	297.68	3.33	-42.44
CC1=NC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004630937	1	37	-1.0	-45.82	297.72	3.35	-42.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=NC=N1	REAL250004630938	0	37	-1.0	-42.43	307.76	5.72	-36.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=NC=N1	REAL250004630938	1	37	-1.0	-42.43	307.70	5.71	-36.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNC(=O)C1CC1	REAL250004630939	0	39	-1.0	-42.47	317.09	2.43	-40.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNC(=O)C1CC1	REAL250004630939	1	39	-1.0	-42.49	317.14	2.44	-40.05
COC1=NC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630940	0	38	-1.0	-47.63	312.42	2.20	-45.43
COC1=NC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630940	1	38	-1.0	-47.65	312.36	2.18	-45.47
CCCCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630941	0	41	-1.0	-45.05	338.07	6.25	-38.80
CCCCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630941	1	41	-1.0	-45.10	338.13	6.26	-38.84
CCCCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630942	0	49	-1.0	-43.78	379.53	8.00	-35.78
CCCCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630942	1	49	-1.0	-43.77	379.59	8.01	-35.76
CCCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630943	0	46	-1.0	-44.27	355.03	7.11	-37.16
CCCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630943	1	46	-1.0	-44.28	355.09	7.12	-37.16
CCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630944	0	43	-1.0	-43.72	336.54	6.44	-37.28
CCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630944	1	43	-1.0	-43.75	336.59	6.45	-37.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=CC=N1	REAL250004630945	0	38	-1.0	-44.74	313.01	4.29	-40.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=CC=N1	REAL250004630945	1	38	-1.0	-44.71	312.94	4.27	-40.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CC=C1F	REAL250004630946	0	35	-1.0	-52.32	299.35	5.43	-46.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CC=C1F	REAL250004630946	1	35	-1.0	-52.33	299.41	5.45	-46.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CNC1=O	REAL250004630947	0	35	-1.0	-54.20	281.51	1.37	-52.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CNC1=O	REAL250004630947	1	35	-1.0	-54.22	281.58	1.37	-52.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC(C)C	REAL250004630948	0	38	-1.0	-45.30	313.34	5.30	-40.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC(C)C	REAL250004630948	1	38	-1.0	-45.33	313.40	5.31	-40.02
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004630949	0	37	-1.0	-42.20	300.54	5.81	-36.39
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004630949	1	37	-1.0	-42.20	300.60	5.82	-36.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=NNC2=CC=C1	REAL250004630950	0	38	-1.0	-45.33	315.43	4.07	-41.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=NNC2=CC=C1	REAL250004630950	1	38	-1.0	-45.34	315.37	4.06	-41.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1O	REAL250004630951	0	36	-1.0	-41.37	289.06	3.40	-37.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1O	REAL250004630951	1	36	-1.0	-41.37	289.13	3.41	-37.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CNN=C2C=C1	REAL250004630952	0	38	-1.0	-53.86	307.16	3.73	-50.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CNN=C2C=C1	REAL250004630952	1	38	-1.0	-53.88	307.22	3.75	-50.13
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1O	REAL250004630953	0	39	-1.0	-41.40	309.18	4.11	-37.29
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1O	REAL250004630953	1	39	-1.0	-41.41	309.26	4.11	-37.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2CC2)=NN1	REAL250004630954	0	39	-1.0	-36.74	312.40	4.86	-31.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2CC2)=NN1	REAL250004630954	1	39	-1.0	-36.78	312.46	4.85	-31.93
CC1=CC=C(O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630955	0	39	-1.0	-48.45	308.78	4.01	-44.44
CC1=CC=C(O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630955	1	39	-1.0	-48.45	308.84	4.03	-44.42
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1O	REAL250004630956	0	39	-1.0	-49.43	311.86	2.91	-46.52
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1O	REAL250004630956	1	39	-1.0	-49.42	311.92	2.93	-46.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C)C(=O)C1	REAL250004630957	0	42	-1.0	-39.07	324.33	3.83	-35.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C)C(=O)C1	REAL250004630957	1	42	-1.0	-39.08	324.38	3.84	-35.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N(C)C=C1	REAL250004630958	0	38	-1.0	-56.05	315.66	4.31	-51.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N(C)C=C1	REAL250004630958	1	38	-1.0	-56.03	315.71	4.32	-51.71
CCN1CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1=O	REAL250004630959	0	42	-1.0	-46.45	331.13	4.01	-42.44
CCN1CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1=O	REAL250004630959	1	42	-1.0	-46.45	331.18	4.02	-42.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSCC#N	REAL250004630960	0	33	-1.0	-50.62	294.42	4.41	-46.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSCC#N	REAL250004630960	1	33	-1.0	-50.61	294.48	4.43	-46.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCS(C)(=O)=O	REAL250004630961	0	37	-1.0	-49.03	314.18	0.88	-48.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCS(C)(=O)=O	REAL250004630961	1	37	-1.0	-48.99	314.23	0.90	-48.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=NN1C	REAL250004630962	0	39	-1.0	-45.39	323.77	4.50	-40.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=NN1C	REAL250004630962	1	39	-1.0	-45.37	323.83	4.52	-40.85
CNC1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630963	0	40	-1.0	-44.82	320.76	4.45	-40.37
CNC1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630963	1	40	-1.0	-44.78	320.82	4.46	-40.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1C=CC=N1	REAL250004630964	0	38	-1.0	-36.61	302.64	4.08	-32.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1C=CC=N1	REAL250004630964	1	38	-1.0	-36.58	302.59	4.07	-32.51
CCC1=NNC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630965	0	38	-1.0	-43.31	309.38	3.18	-40.13
CCC1=NNC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630965	1	38	-1.0	-43.28	309.44	3.19	-40.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=NC=N1	REAL250004630966	0	34	-1.0	-53.72	285.57	5.15	-48.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=NC=N1	REAL250004630966	1	34	-1.0	-53.73	285.52	5.13	-48.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC(F)(F)F	REAL250004630967	0	32	-1.0	-41.35	290.36	4.28	-37.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC(F)(F)F	REAL250004630967	1	32	-1.0	-41.38	290.41	4.30	-37.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCOC(C)C	REAL250004630968	0	41	-1.0	-42.81	323.34	4.00	-38.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCOC(C)C	REAL250004630968	1	41	-1.0	-42.83	323.40	4.02	-38.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CC=NC1=O	REAL250004630969	0	37	-1.0	-66.27	309.67	2.73	-63.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CC=NC1=O	REAL250004630969	1	37	-1.0	-66.25	309.72	2.74	-63.51
CCC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004630970	0	38	-1.0	-37.44	304.33	4.06	-33.38
CCC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004630970	1	38	-1.0	-37.46	304.38	4.07	-33.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COCCO1	REAL250004630971	0	37	-1.0	-45.95	291.20	2.44	-43.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COCCO1	REAL250004630971	1	37	-1.0	-45.94	291.26	2.46	-43.48
CCCCCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630972	0	47	-1.0	-46.39	371.11	6.82	-39.57
CCCCCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630972	1	47	-1.0	-46.43	371.17	6.83	-39.60
COC(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630973	0	34	-1.0	-50.27	282.49	4.28	-45.99
COC(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630973	1	34	-1.0	-50.25	282.54	4.29	-45.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCO1	REAL250004630974	0	42	-1.0	-45.87	325.46	4.32	-41.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCO1	REAL250004630974	1	42	-1.0	-45.89	325.51	4.33	-41.56
COCCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630975	0	39	-1.0	-45.12	325.76	3.66	-41.46
COCCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630975	1	39	-1.0	-45.13	325.82	3.67	-41.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCCCC1=O	REAL250004630976	0	42	-1.0	-54.55	330.22	4.62	-49.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCCCC1=O	REAL250004630976	1	42	-1.0	-54.55	330.27	4.63	-49.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCCNC1=O	REAL250004630977	0	41	-1.0	-57.38	326.08	2.46	-54.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCCNC1=O	REAL250004630977	1	41	-1.0	-57.43	326.14	2.47	-54.96
CC(=O)N(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630978	0	38	-1.0	-55.46	308.13	3.33	-52.13
CC(=O)N(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630978	1	38	-1.0	-55.46	308.18	3.35	-52.11
CCC(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630979	0	40	-1.0	-45.37	308.04	5.09	-40.28
CCC(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630979	1	40	-1.0	-45.33	308.10	5.10	-40.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)N(C)C1	REAL250004630980	0	39	-1.0	-45.25	310.11	2.99	-42.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)N(C)C1	REAL250004630980	1	39	-1.0	-45.24	310.17	3.00	-42.24
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1C#N	REAL250004630981	0	38	-1.0	-38.85	318.44	6.06	-32.79
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1C#N	REAL250004630981	1	38	-1.0	-38.83	318.49	6.07	-32.76
CC1=NNC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630982	0	35	-1.0	-36.32	275.14	2.35	-33.97
CC1=NNC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630982	1	35	-1.0	-36.35	275.08	2.38	-33.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSN=N1	REAL250004630983	0	30	-1.0	-41.97	264.35	2.75	-39.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSN=N1	REAL250004630983	1	30	-1.0	-41.98	264.29	2.74	-39.24
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=N1	REAL250004630984	0	38	-1.0	-47.08	306.11	1.75	-45.33
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=N1	REAL250004630984	1	38	-1.0	-47.08	306.05	1.73	-45.35
CCCCC(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630985	0	46	-1.0	-45.20	351.05	6.63	-38.57
CCCCC(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630985	1	46	-1.0	-45.20	351.10	6.65	-38.55
COC(=O)N(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630986	0	39	-1.0	-47.52	318.02	3.13	-44.39
COC(=O)N(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630986	1	39	-1.0	-47.60	318.08	3.15	-44.45
CCC(=O)NC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630987	0	41	-1.0	-43.92	321.12	2.11	-41.81
CCC(=O)NC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630987	1	41	-1.0	-43.91	321.17	2.13	-41.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=[N+]1[O-]	REAL250004630988	0	35	-1.0	-76.92	283.09	5.05	-71.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=[N+]1[O-]	REAL250004630988	1	35	-1.0	-76.89	283.14	5.06	-71.83
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC=N1	REAL250004630989	0	34	-1.0	-43.64	278.56	2.26	-41.38
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC=N1	REAL250004630989	1	34	-1.0	-43.65	278.63	2.27	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CNC2=CC=C1	REAL250004630990	0	39	-1.0	-50.57	317.76	5.26	-45.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CNC2=CC=C1	REAL250004630990	1	39	-1.0	-50.61	317.71	5.24	-45.37
CCOCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630991	0	41	-1.0	-46.19	327.57	4.13	-42.06
CCOCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630991	1	41	-1.0	-46.20	327.62	4.14	-42.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC1CC1	REAL250004630992	0	39	-1.0	-47.08	316.79	5.26	-41.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC1CC1	REAL250004630992	1	39	-1.0	-47.07	316.84	5.27	-41.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCO1	REAL250004630993	0	39	-1.0	-47.86	305.92	4.19	-43.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCO1	REAL250004630993	1	39	-1.0	-47.87	305.98	4.20	-43.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)S(C)(=O)=O	REAL250004630994	0	37	-1.0	-59.88	305.29	1.00	-58.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)S(C)(=O)=O	REAL250004630994	1	37	-1.0	-59.90	305.34	1.01	-58.89
CC1=CNC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630995	0	36	-1.0	-48.09	293.96	3.82	-44.27
CC1=CNC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630995	1	36	-1.0	-48.08	294.02	3.84	-44.24
CSC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630996	0	35	-1.0	-47.36	289.33	4.22	-43.14
CSC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630996	1	35	-1.0	-47.37	289.39	4.23	-43.14
CCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004630997	0	38	-1.0	-47.76	296.63	3.88	-43.88
CCOC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004630997	1	38	-1.0	-47.76	296.69	3.90	-43.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C=CNC2=C1	REAL250004630998	0	39	-1.0	-50.13	312.20	5.05	-45.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C=CNC2=C1	REAL250004630998	1	39	-1.0	-50.12	312.14	5.04	-45.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(C(N)=O)=C1	REAL250004630999	0	37	-1.0	-49.23	301.63	-0.30	-49.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(C(N)=O)=C1	REAL250004630999	1	37	-1.0	-49.25	301.68	-0.28	-49.53
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C	REAL250004631000	0	41	-1.0	-46.33	332.34	4.42	-41.91
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C	REAL250004631000	1	41	-1.0	-46.33	332.40	4.43	-41.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(C)C)=NN1	REAL250004631001	0	41	-1.0	-37.42	323.16	4.60	-32.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(C)C)=NN1	REAL250004631001	1	41	-1.0	-37.45	323.22	4.60	-32.85
CCOC(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631002	0	37	-1.0	-50.15	304.35	5.19	-44.96
CCOC(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631002	1	37	-1.0	-50.19	304.40	5.21	-44.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=NC=C1	REAL250004631003	0	40	-1.0	-43.84	326.83	5.35	-38.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=NC=C1	REAL250004631003	1	40	-1.0	-43.85	326.89	5.36	-38.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C(=O)C=C1	REAL250004631004	0	38	-1.0	-40.92	305.69	4.02	-36.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C(=O)C=C1	REAL250004631004	1	38	-1.0	-40.96	305.83	4.02	-36.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C#N	REAL250004631005	0	35	-1.0	-47.08	272.18	3.35	-43.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C#N	REAL250004631005	1	35	-1.0	-47.08	272.24	3.36	-43.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CC#N)=C1	REAL250004631007	0	39	-1.0	-52.01	321.02	6.17	-45.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CC#N)=C1	REAL250004631007	1	39	-1.0	-51.98	321.08	6.18	-45.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)NC1	REAL250004631008	0	39	-1.0	-39.02	304.53	1.83	-37.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)NC1	REAL250004631008	1	39	-1.0	-38.95	304.60	1.83	-37.12
COCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631009	0	38	-1.0	-46.09	305.72	3.16	-42.93
COCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631009	1	38	-1.0	-46.13	305.77	3.18	-42.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC2=C1CCC2	REAL250004631010	0	39	-1.0	-49.96	307.66	4.52	-45.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC2=C1CCC2	REAL250004631010	1	39	-1.0	-49.98	307.71	4.51	-45.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(F)F	REAL250004631011	0	37	-1.0	-41.84	304.65	5.00	-36.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(F)F	REAL250004631011	1	37	-1.0	-41.85	304.71	5.01	-36.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CCCC1	REAL250004631012	0	42	-1.0	-47.10	330.06	5.72	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CCCC1	REAL250004631012	1	42	-1.0	-47.08	330.12	5.74	-41.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CCCCC1	REAL250004631013	0	45	-1.0	-46.59	346.98	6.33	-40.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CCCCC1	REAL250004631013	1	45	-1.0	-46.63	347.04	6.34	-40.29
CC1=NC=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631014	0	36	-1.0	-41.05	291.93	3.74	-37.31
CC1=NC=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631014	1	36	-1.0	-41.08	291.99	3.75	-37.33
CCC1=NC=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631015	0	39	-1.0	-42.81	304.72	4.19	-38.62
CCC1=NC=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631015	1	39	-1.0	-42.82	304.81	4.20	-38.62
C=CCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631016	0	36	-1.0	-45.26	307.88	5.23	-40.03
C=CCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631016	1	36	-1.0	-45.25	307.94	5.24	-40.01
CCOC1CC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631017	0	39	-1.0	-43.64	308.50	3.60	-40.04
CCOC1CC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631017	1	39	-1.0	-43.65	308.56	3.61	-40.04
CC1=NC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631018	0	36	-1.0	-40.18	291.33	4.95	-35.23
CC1=NC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631018	1	36	-1.0	-40.19	291.39	4.94	-35.25
CCSCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631019	0	38	-1.0	-41.95	316.74	5.45	-36.50
CCSCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631019	1	38	-1.0	-41.96	316.80	5.46	-36.50
COC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631020	0	36	-1.0	-42.03	300.04	0.37	-41.66
COC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631020	1	36	-1.0	-42.09	300.10	0.38	-41.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N+](=O)[O-])N1	REAL250004631021	0	35	-1.0	-39.55	295.54	5.69	-33.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N+](=O)[O-])N1	REAL250004631021	1	35	-1.0	-39.58	295.60	5.70	-33.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NSN=C1	REAL250004631022	0	30	-1.0	-36.92	263.39	2.45	-34.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NSN=C1	REAL250004631022	1	30	-1.0	-36.94	263.33	2.45	-34.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=NS1	REAL250004631023	0	30	-1.0	-40.86	256.62	1.36	-39.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=NS1	REAL250004631023	1	30	-1.0	-40.86	256.55	1.35	-39.51
CC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631024	0	40	-1.0	-48.02	326.95	5.13	-42.89
CC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631024	1	40	-1.0	-48.07	327.01	5.15	-42.92
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)N1	REAL250004631025	0	38	-1.0	-52.55	303.02	1.93	-50.62
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)N1	REAL250004631025	1	38	-1.0	-52.57	303.09	1.94	-50.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)CC(C)(C)C	REAL250004631026	0	49	-1.0	-44.12	354.01	6.75	-37.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)CC(C)(C)C	REAL250004631026	1	49	-1.0	-44.06	354.07	6.77	-37.29
CCCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631027	0	38	-1.0	-45.12	316.57	5.47	-39.65
CCCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631027	1	38	-1.0	-45.13	316.63	5.48	-39.65
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004631028	0	39	-1.0	-43.72	304.55	5.90	-37.82
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631028	1	39	-1.0	-43.75	304.62	5.91	-37.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC=C1	REAL250004631029	0	31	-1.0	-45.69	258.47	3.27	-42.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC=C1	REAL250004631029	1	31	-1.0	-45.69	258.42	3.25	-42.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2NC=CC=C12	REAL250004631030	0	38	-1.0	-44.18	292.43	1.79	-42.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2NC=CC=C12	REAL250004631030	1	38	-1.0	-44.13	292.37	1.78	-42.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CS1	REAL250004631031	0	31	-1.0	-46.00	258.84	2.00	-44.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CS1	REAL250004631031	1	31	-1.0	-46.00	258.78	1.99	-44.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C(C1CC1)C1CC1	REAL250004631032	0	43	-1.0	-44.54	334.17	7.26	-37.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C(C1CC1)C1CC1	REAL250004631032	1	43	-1.0	-44.55	334.23	7.27	-37.28
CC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631033	0	35	-1.0	-42.82	281.70	2.96	-39.86
CC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631033	1	35	-1.0	-42.81	281.76	2.97	-39.84
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1	REAL250004631033	1	35	-1.0	-47.50	288.42	3.09	-44.41
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1	REAL250004631033	1	35	-1.0	-47.54	288.48	3.10	-44.44
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CC=C1	REAL250004631034	0	42	-1.0	-43.85	341.42	7.65	-36.20
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CC=C1	REAL250004631034	1	42	-1.0	-43.86	341.47	7.67	-36.19
CC1=CN(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004631035	0	38	-1.0	-52.15	311.11	4.31	-47.84
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C1CCCC1	REAL250004631036	0	39	-1.0	-47.55	298.87	5.70	-41.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C1CCCC1	REAL250004631036	1	39	-1.0	-47.57	298.92	5.72	-41.85
CC1=NN(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631037	0	38	-1.0	-43.48	298.92	3.60	-39.88
CC1=NN(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631037	1	38	-1.0	-43.50	298.98	3.61	-39.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN(C)N=C1	REAL250004631038	0	41	-1.0	-45.83	331.85	4.83	-41.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN(C)N=C1	REAL250004631038	1	41	-1.0	-45.83	331.79	4.82	-41.01
CCC=C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631039	0	38	-1.0	-38.97	293.02	5.35	-33.62
CCC=C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631039	1	38	-1.0	-39.04	293.08	5.37	-33.67
CCCCSC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631040	0	44	-1.0	-47.19	353.79	6.68	-40.51
CCCCSC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631040	1	44	-1.0	-47.17	353.85	6.70	-40.47
CC1=CN(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004631041	0	41	-1.0	-41.72	333.12	4.91	-36.81
CC1=CN(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004631041	1	41	-1.0	-41.70	333.06	4.90	-36.80
CCOCCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631042	0	45	-1.0	-40.79	355.02	4.68	-36.11
CCOCCOC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631042	1	45	-1.0	-40.82	355.03	4.68	-36.14
CC(C)COC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631043	0	44	-1.0	-38.12	341.14	5.92	-32.20
CC(C)COC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631043	1	44	-1.0	-38.20	341.15	5.93	-32.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NC=CS1	REAL250004631044	0	37	-1.0	-44.15	313.71	4.15	-40.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NC=CS1	REAL250004631044	1	37	-1.0	-44.18	313.77	4.16	-40.02
CC(C)CCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631045	0	44	-1.0	-44.90	355.64	6.76	-38.14
CC(C)CCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631045	1	44	-1.0	-44.94	355.69	6.77	-38.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCCCC1	REAL250004631046	0	42	-1.0	-46.64	317.39	5.41	-41.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCCCC1	REAL250004631046	1	42	-1.0	-46.64	317.45	5.42	-41.22
CCCC(C)=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631047	0	41	-1.0	-43.44	320.14	6.01	-37.43
CCCC(C)=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631047	1	41	-1.0	-43.44	320.20	6.02	-37.42
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631048	0	34	-1.0	-45.10	281.82	2.49	-42.61
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631048	1	34	-1.0	-45.08	281.91	2.51	-42.57
CCOC(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631049	0	41	-1.0	-37.70	315.97	5.10	-32.60
CCOC(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631049	1	41	-1.0	-37.72	316.02	5.11	-32.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOC1	REAL250004631050	0	36	-1.0	-42.53	281.71	2.55	-39.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOC1	REAL250004631050	1	36	-1.0	-42.48	281.77	2.57	-39.91
CC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631051	0	38	-1.0	-45.51	322.66	6.22	-39.29
CC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631051	1	38	-1.0	-45.49	322.72	6.23	-39.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C1CCCCC1	REAL250004631052	0	42	-1.0	-44.64	317.91	6.26	-38.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C1CCCCC1	REAL250004631052	1	42	-1.0	-44.64	317.97	6.28	-38.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CS(C)(=O)=O	REAL250004631053	0	34	-1.0	-60.90	292.07	0.34	-60.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CS(C)(=O)=O	REAL250004631053	1	34	-1.0	-60.87	292.13	0.36	-60.51
CCS(=O)(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631054	0	37	-1.0	-61.22	310.55	1.17	-60.05
CCS(=O)(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631054	1	37	-1.0	-61.23	310.60	1.19	-60.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CCOC1=O	REAL250004631055	0	40	-1.0	-55.03	326.82	3.46	-51.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CCOC1=O	REAL250004631055	1	40	-1.0	-55.05	326.87	3.48	-51.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1CCC2	REAL250004631056	0	42	-1.0	-46.01	334.20	7.33	-38.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1CCC2	REAL250004631056	1	42	-1.0	-46.05	334.26	7.34	-38.71
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC=C1	REAL250004631057	0	38	-1.0	-36.76	306.85	5.81	-30.95
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC=C1	REAL250004631057	1	38	-1.0	-36.76	306.90	5.81	-30.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)OCC1CC1	REAL250004631058	0	42	-1.0	-47.57	332.19	5.74	-41.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)OCC1CC1	REAL250004631058	1	42	-1.0	-47.54	332.24	5.75	-41.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC(C)C	REAL250004631059	0	38	-1.0	-46.85	305.39	4.41	-42.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC(C)C	REAL250004631059	1	38	-1.0	-46.88	305.45	4.43	-42.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C1CC1	REAL250004631060	0	41	-1.0	-43.47	318.43	6.15	-37.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C1CC1	REAL250004631060	1	41	-1.0	-43.45	318.48	6.16	-37.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCCC1C	REAL250004631061	0	47	-1.0	-44.12	340.80	6.85	-37.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCCC1C	REAL250004631061	1	47	-1.0	-44.12	340.86	6.86	-37.26
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=CO1	REAL250004631062	0	34	-1.0	-45.41	279.57	2.55	-42.86
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=CO1	REAL250004631062	1	34	-1.0	-45.41	279.51	2.53	-42.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C1CC1)C1CC1	REAL250004631063	0	45	-1.0	-43.39	348.66	7.56	-35.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C1CC1)C1CC1	REAL250004631063	1	45	-1.0	-43.39	348.72	7.58	-35.81
CCC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631064	0	37	-1.0	-44.71	303.34	3.24	-41.47
CCC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631064	1	37	-1.0	-44.67	303.41	3.25	-41.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C=CN=C1	REAL250004631065	0	41	-1.0	-50.72	330.92	6.58	-44.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C=CN=C1	REAL250004631065	1	41	-1.0	-50.70	330.98	6.60	-44.10
C=CCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631066	0	39	-1.0	-46.25	319.43	5.04	-41.21
C=CCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631066	1	39	-1.0	-46.24	319.48	5.05	-41.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CSC=N1	REAL250004631067	0	37	-1.0	-45.51	316.25	4.13	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CSC=N1	REAL250004631067	1	37	-1.0	-45.54	316.31	4.14	-41.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(F)=C1	REAL250004631069	0	34	-1.0	-33.68	281.85	3.47	-30.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(F)=C1	REAL250004631069	1	34	-1.0	-33.74	281.85	3.45	-30.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1C	REAL250004631070	0	35	-1.0	-40.76	282.08	3.39	-37.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1C	REAL250004631070	1	35	-1.0	-40.70	282.03	3.38	-37.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C=CC=N1	REAL250004631071	0	41	-1.0	-51.68	332.37	5.07	-46.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C=CC=N1	REAL250004631071	1	41	-1.0	-51.68	332.31	5.06	-46.62
COCCOCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631072	0	42	-1.0	-43.58	339.70	2.63	-40.95
COCCOCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631072	1	42	-1.0	-43.59	339.75	2.64	-40.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1C=CN=C1	REAL250004631073	0	38	-1.0	-38.03	304.35	5.49	-32.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1C=CN=C1	REAL250004631073	1	38	-1.0	-38.02	304.40	5.49	-32.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(F)(F)F	REAL250004631075	0	31	-1.0	-44.20	267.95	3.75	-40.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(F)(F)F	REAL250004631075	1	31	-1.0	-44.24	268.01	3.76	-40.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CNC(=O)C1	REAL250004631076	0	36	-1.0	-36.17	288.47	1.14	-35.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CNC(=O)C1	REAL250004631076	1	36	-1.0	-36.24	288.53	1.14	-35.10
CCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631077	0	38	-1.0	-47.15	303.66	4.38	-42.77
CCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631077	1	38	-1.0	-47.15	303.72	4.39	-42.76
CCCCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631078	0	44	-1.0	-47.70	339.63	5.46	-42.24
CCCCOC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631078	1	44	-1.0	-47.72	339.68	5.48	-42.24
CC(C)CCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631079	0	44	-1.0	-46.98	342.73	5.67	-41.31
CC(C)CCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631079	1	44	-1.0	-46.99	342.78	5.68	-41.31
CC(C)CCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631080	0	47	-1.0	-47.63	357.19	5.98	-41.65
CC(C)CCOC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631080	1	47	-1.0	-47.59	357.25	6.00	-41.59
COCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631081	0	41	-1.0	-44.30	324.21	3.84	-40.46
COCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631081	1	41	-1.0	-44.32	324.26	3.85	-40.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(N)=O	REAL250004631082	0	38	-1.0	-56.28	306.72	0.83	-55.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(N)=O	REAL250004631082	1	38	-1.0	-56.30	306.77	0.85	-55.45
C=CCCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631083	0	42	-1.0	-38.00	333.85	5.79	-32.21
C=CCCOC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631083	1	42	-1.0	-38.01	333.85	5.80	-32.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CSC=N1	REAL250004631085	0	35	-1.0	-46.69	307.70	4.05	-42.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CSC=N1	REAL250004631085	1	35	-1.0	-46.69	307.76	4.07	-42.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)C1=CN(C)N=C1	REAL250004631086	0	37	-1.0	-45.41	305.24	3.43	-41.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)C1=CN(C)N=C1	REAL250004631086	1	37	-1.0	-45.42	305.30	3.44	-41.98
CCC(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631087	0	38	-1.0	-46.41	299.51	4.03	-42.38
CCC(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631087	1	38	-1.0	-46.44	299.56	4.04	-42.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CCOCC1	REAL250004631088	0	44	-1.0	-44.58	335.88	1.69	-42.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CCOCC1	REAL250004631088	1	44	-1.0	-44.58	335.93	1.70	-42.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CC=N1	REAL250004631089	0	40	-1.0	-44.09	324.37	5.28	-38.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CC=N1	REAL250004631089	1	40	-1.0	-44.10	324.43	5.29	-38.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=CN=C1	REAL250004631090	0	38	-1.0	-43.19	312.43	5.88	-37.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=CN=C1	REAL250004631090	1	38	-1.0	-43.15	312.49	5.90	-37.25
CCCC1=NNC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631091	0	41	-1.0	-36.55	324.35	3.92	-32.63
CCCC1=NNC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631091	1	41	-1.0	-36.53	324.41	3.93	-32.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(F)(F)F)CC1	REAL250004631092	0	35	-1.0	-41.43	279.73	4.16	-37.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(F)(F)F)CC1	REAL250004631092	1	35	-1.0	-41.43	279.79	4.18	-37.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN(C)N=C1	REAL250004631093	0	38	-1.0	-46.13	311.68	4.04	-42.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN(C)N=C1	REAL250004631093	1	38	-1.0	-46.11	311.62	4.03	-42.08
CCN1N=C(C)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631094	0	41	-1.0	-44.24	313.39	4.14	-40.10
CCN1N=C(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631094	1	41	-1.0	-44.28	313.45	4.16	-40.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=CC=CN=C1	REAL250004631095	0	38	-1.0	-47.65	311.45	4.35	-43.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=CC=CN=C1	REAL250004631095	1	38	-1.0	-47.70	311.40	4.34	-43.36
CCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631096	0	40	-1.0	-38.39	289.39	4.90	-33.49
CCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631096	1	40	-1.0	-38.44	289.43	4.90	-33.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCCC1	REAL250004631097	0	44	-1.0	-44.05	321.99	6.11	-37.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCCC1	REAL250004631097	1	44	-1.0	-44.07	322.05	6.12	-37.95
COC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631098	0	38	-1.0	-44.26	303.36	3.91	-40.35
COC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631098	1	38	-1.0	-44.23	303.41	3.92	-40.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1F	REAL250004631099	0	35	-1.0	-54.25	289.25	5.08	-49.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1F	REAL250004631099	1	35	-1.0	-54.24	289.31	5.10	-49.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCOCC1	REAL250004631100	0	42	-1.0	-43.79	299.53	3.02	-40.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCOCC1	REAL250004631100	1	42	-1.0	-43.82	299.58	3.03	-40.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCC1	REAL250004631101	0	41	-1.0	-37.58	290.64	5.43	-32.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCC1	REAL250004631101	1	41	-1.0	-37.57	290.69	5.43	-32.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC(C)C1	REAL250004631102	0	47	-1.0	-44.89	348.58	7.08	-37.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC(C)C1	REAL250004631102	1	47	-1.0	-44.91	348.64	7.10	-37.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C#N)C=C1	REAL250004631103	0	39	-1.0	-44.34	329.66	6.63	-37.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C#N)C=C1	REAL250004631103	1	39	-1.0	-44.36	329.72	6.64	-37.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1CCOCC1	REAL250004631104	0	44	-1.0	-44.61	331.23	1.60	-43.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1CCOCC1	REAL250004631104	1	44	-1.0	-44.60	331.29	1.61	-42.99
CC(=O)NC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631105	0	41	-1.0	-41.02	311.93	2.83	-38.19
CC(=O)NC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631105	1	41	-1.0	-41.02	311.97	2.84	-38.18
CCCC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631106	0	43	-1.0	-43.38	328.50	6.11	-37.27
CCCC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631106	1	43	-1.0	-43.39	328.55	6.12	-37.27
CC1=CC=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631107	0	41	-1.0	-45.39	331.15	7.02	-38.37
CC1=CC=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631107	1	41	-1.0	-45.41	331.21	7.04	-38.37
CCOCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631108	0	38	-1.0	-42.63	303.06	3.26	-39.37
CCOCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631108	1	38	-1.0	-42.65	303.12	3.27	-39.38
CCSC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004631109	0	44	-1.0	-46.27	344.23	6.35	-39.92
CCSC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004631109	1	44	-1.0	-46.24	344.29	6.36	-39.88
CC(C)CC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631110	0	46	-1.0	-43.64	345.80	6.64	-37.00
CC(C)CC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631110	1	46	-1.0	-43.61	345.85	6.65	-36.96
CNC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631111	0	39	-1.0	-33.86	307.24	2.65	-31.21
CNC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631111	1	39	-1.0	-33.89	307.30	2.65	-31.24
CC1=CC=C(F)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631112	0	38	-1.0	-39.67	305.90	5.89	-33.78
CC1=CC=C(F)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631112	1	38	-1.0	-39.67	305.95	5.89	-33.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CCCC1=O	REAL250004631113	0	42	-1.0	-47.39	336.60	4.38	-43.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CCCC1=O	REAL250004631113	1	42	-1.0	-47.40	336.66	4.40	-43.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCOC1	REAL250004631114	0	39	-1.0	-42.52	299.18	3.19	-39.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCOC1	REAL250004631114	1	39	-1.0	-42.55	299.24	3.20	-39.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(N)=O)CC1	REAL250004631115	0	36	-1.0	-39.83	291.07	0.23	-39.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(N)=O)CC1	REAL250004631115	1	36	-1.0	-39.84	291.13	0.24	-39.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC=N1	REAL250004631116	0	31	-1.0	-46.89	269.56	3.64	-43.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC=N1	REAL250004631116	1	31	-1.0	-46.93	269.51	3.62	-43.31
CCNC(=O)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631117	0	44	-1.0	-56.20	350.14	3.16	-53.04
CCNC(=O)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631117	1	44	-1.0	-56.21	350.19	3.18	-53.03
CCNC(=O)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631118	0	41	-1.0	-43.83	331.64	2.48	-41.35
CCNC(=O)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631118	1	41	-1.0	-43.88	331.70	2.50	-41.38
CCCNC(=O)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631119	0	44	-1.0	-43.68	350.14	3.14	-40.54
CCCNC(=O)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631119	1	44	-1.0	-43.67	350.19	3.16	-40.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(N)=O)CCC1	REAL250004631120	0	39	-1.0	-40.13	301.27	0.96	-39.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(N)=O)CCC1	REAL250004631120	1	39	-1.0	-40.12	301.32	0.97	-39.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COCC1	REAL250004631121	0	34	-1.0	-38.43	264.19	3.09	-35.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COCC1	REAL250004631121	1	34	-1.0	-38.42	264.25	3.10	-35.32
CCC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631122	0	38	-1.0	-42.16	309.51	1.77	-40.39
CCC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631122	1	38	-1.0	-42.20	309.57	1.79	-40.41
CNC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631123	0	42	-1.0	-35.79	317.49	2.15	-33.64
CNC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631123	1	42	-1.0	-35.77	317.57	2.14	-33.63
COC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC=C1	REAL250004631124	0	36	-1.0	-51.59	296.66	4.23	-47.36
COC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC=C1	REAL250004631124	1	36	-1.0	-51.57	296.72	4.25	-47.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCOCC1	REAL250004631125	0	40	-1.0	-45.22	306.28	2.52	-42.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCOCC1	REAL250004631125	1	40	-1.0	-45.21	306.33	2.54	-42.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=CN=C2C=C1	REAL250004631126	0	38	-1.0	-39.00	307.39	5.78	-33.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=CN=C2C=C1	REAL250004631126	1	38	-1.0	-39.03	307.52	5.78	-33.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNCC(F)(F)F	REAL250004631127	0	36	-1.0	-45.42	304.76	1.78	-43.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNCC(F)(F)F	REAL250004631127	1	36	-1.0	-45.42	304.82	1.80	-43.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1	REAL250004631128	0	35	-1.0	-49.58	289.36	3.89	-45.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C=C1	REAL250004631128	1	35	-1.0	-49.61	289.30	3.88	-45.73
COCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631129	0	39	-1.0	-50.34	318.74	2.92	-47.42
COCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631129	1	39	-1.0	-50.37	318.80	2.94	-47.43
CCCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631130	0	40	-1.0	-44.95	301.32	4.89	-40.06
CCCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631130	1	40	-1.0	-44.91	301.38	4.91	-40.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(C(C)C)=N1	REAL250004631131	0	41	-1.0	-47.34	328.87	5.04	-42.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(C(C)C)=N1	REAL250004631131	1	41	-1.0	-47.30	328.92	5.06	-42.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=CC=CC2=C1	REAL250004631132	0	39	-1.0	-49.14	311.80	6.80	-42.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=CC=CC2=C1	REAL250004631132	1	39	-1.0	-49.13	311.75	6.78	-42.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN(C)C(=O)C1CC1	REAL250004631133	0	42	-1.0	-48.63	336.12	4.73	-43.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN(C)C(=O)C1CC1	REAL250004631133	1	42	-1.0	-48.65	336.18	4.75	-43.90
COCC(=O)NCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631134	0	42	-1.0	-56.71	341.36	1.72	-54.99
COCC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631134	1	42	-1.0	-56.69	341.41	1.73	-54.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSCC(N)=O	REAL250004631135	0	36	-1.0	-55.28	311.08	0.75	-54.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSCC(N)=O	REAL250004631135	1	36	-1.0	-55.31	311.14	0.76	-54.55
CC1=NON=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631136	0	33	-1.0	-38.27	277.34	3.24	-35.03
CC1=NON=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631136	1	33	-1.0	-38.27	277.40	3.26	-35.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CC=CN2N=C1	REAL250004631138	0	38	-1.0	-47.24	308.88	5.16	-42.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CC=CN2N=C1	REAL250004631138	1	38	-1.0	-47.26	308.83	5.15	-42.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC=N1	REAL250004631140	0	31	-1.0	-46.06	259.48	2.05	-44.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC=N1	REAL250004631140	1	31	-1.0	-46.03	259.43	2.03	-44.00
C#CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004631141	0	36	-1.0	-41.83	305.94	6.41	-35.42
C#CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004631141	1	36	-1.0	-41.85	305.99	6.42	-35.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(=O)N1	REAL250004631142	0	39	-1.0	-47.96	311.75	2.07	-45.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(=O)N1	REAL250004631142	1	39	-1.0	-47.94	311.80	2.08	-45.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=CC=CC=C21	REAL250004631143	0	42	-1.0	-44.85	326.18	7.04	-37.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=CC=CC=C21	REAL250004631143	1	42	-1.0	-44.88	326.24	7.06	-37.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCC(=O)N1	REAL250004631144	0	36	-1.0	-49.87	283.78	0.81	-49.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC(=O)N1	REAL250004631144	1	36	-1.0	-49.86	283.83	0.82	-49.04
COC(=O)NCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631146	0	39	-1.0	-49.57	322.17	1.04	-48.53
COC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631146	1	39	-1.0	-49.60	322.23	1.06	-48.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)N=C1	REAL250004631147	0	34	-1.0	-38.17	281.98	3.28	-34.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)N=C1	REAL250004631147	1	34	-1.0	-38.19	281.94	3.30	-34.89
COC(=O)NC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631148	0	42	-1.0	-37.91	323.04	2.35	-35.56
COC(=O)NC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631148	1	42	-1.0	-37.94	323.08	2.36	-35.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC=CC2=C1	REAL250004631149	0	39	-1.0	-49.68	312.24	5.06	-44.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC=CC2=C1	REAL250004631149	1	39	-1.0	-49.69	312.18	5.05	-44.64
COC(=O)NCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631150	0	42	-1.0	-46.32	343.67	1.85	-44.47
COC(=O)NCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631150	1	42	-1.0	-46.32	343.73	1.86	-44.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN(C)C1=O	REAL250004631152	0	38	-1.0	-59.59	313.19	4.16	-55.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN(C)C1=O	REAL250004631152	1	38	-1.0	-59.57	313.24	4.17	-55.40
C#CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631153	0	36	-1.0	-44.76	303.03	4.23	-40.53
C#CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631153	1	36	-1.0	-44.76	303.09	4.24	-40.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CCCCC1	REAL250004631154	0	42	-1.0	-44.93	323.32	6.44	-38.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CCCCC1	REAL250004631154	1	42	-1.0	-44.97	323.37	6.46	-38.51
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN1	REAL250004631155	0	35	-1.0	-45.17	282.47	4.22	-40.95
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN1	REAL250004631155	1	35	-1.0	-45.18	282.53	4.22	-40.96
CCC(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004631156	0	46	-1.0	-43.63	324.74	5.99	-37.64
CCC(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004631156	1	46	-1.0	-43.69	324.80	6.01	-37.68
COCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631157	0	38	-1.0	-43.02	294.74	2.62	-40.40
COCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631157	1	38	-1.0	-43.02	294.79	2.64	-40.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(C)(C)C	REAL250004631158	0	46	-1.0	-44.37	345.77	6.46	-37.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(C)(C)C	REAL250004631158	1	46	-1.0	-44.44	345.82	6.47	-37.97
C=CCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631159	0	36	-1.0	-47.31	295.07	4.15	-43.16
C=CCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631159	1	36	-1.0	-47.33	295.12	4.16	-43.17
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1F	REAL250004631160	0	38	-1.0	-43.81	307.48	5.72	-38.09
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1F	REAL250004631160	1	38	-1.0	-43.83	307.53	5.74	-38.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC1CCCO1	REAL250004631161	0	43	-1.0	-51.88	342.19	4.14	-47.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC1CCCO1	REAL250004631161	1	43	-1.0	-51.90	342.25	4.15	-47.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC2=CC=CC=C12	REAL250004631162	0	38	-1.0	-49.54	305.51	5.54	-44.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC2=CC=CC=C12	REAL250004631162	1	38	-1.0	-49.55	305.57	5.55	-44.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1CCOCC1	REAL250004631163	0	43	-1.0	-45.27	335.48	4.66	-40.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1CCOCC1	REAL250004631163	1	43	-1.0	-45.28	335.54	4.67	-40.61
CC1=NN(C)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631164	0	38	-1.0	-44.86	310.59	3.60	-41.26
CC1=NN(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631164	1	38	-1.0	-44.84	310.65	3.61	-41.23
CSC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631165	0	36	-1.0	-42.74	302.34	4.62	-38.12
CSC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631165	1	36	-1.0	-42.79	302.38	4.64	-38.15
CCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631166	0	38	-1.0	-46.06	302.81	3.61	-42.45
CCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631166	1	38	-1.0	-46.06	302.75	3.60	-42.46
COC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631167	0	37	-1.0	-43.13	299.53	-0.40	-43.53
COC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631167	1	37	-1.0	-43.16	299.47	-0.41	-43.57
CCCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631168	0	41	-1.0	-46.51	328.12	5.26	-41.25
CCCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631168	1	41	-1.0	-46.49	328.17	5.27	-41.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)C(C)(C)C	REAL250004631169	0	39	-1.0	-39.55	304.94	4.54	-35.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)C(C)(C)C	REAL250004631169	1	39	-1.0	-39.57	304.99	4.55	-35.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCN1C	REAL250004631170	1	43	-1.0	-44.91	321.19	3.25	-41.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCN1C	REAL250004631170	1	43	-1.0	-44.87	321.24	3.27	-41.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1=CC=CC=C1	REAL250004631171	0	39	-1.0	-34.75	308.47	4.32	-30.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1=CC=CC=C1	REAL250004631171	1	39	-1.0	-34.79	308.54	4.32	-30.47
CCCCCC(O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631172	0	47	-1.0	-47.26	367.21	4.80	-42.46
CCCCCC(O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631172	1	47	-1.0	-47.30	367.27	4.81	-42.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCOCC1	REAL250004631173	0	42	-1.0	-43.26	321.45	4.19	-39.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCOCC1	REAL250004631173	1	42	-1.0	-43.31	321.51	4.21	-39.10
CC1=NC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631174	0	37	-1.0	-43.50	296.60	4.01	-39.49
CC1=NC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631174	1	37	-1.0	-43.54	296.66	4.03	-39.51
CSCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631175	0	38	-1.0	-36.64	308.68	5.20	-31.44
CSCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631175	1	38	-1.0	-36.64	308.68	5.19	-31.45
CC1=CC(=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN1	REAL250004631176	0	38	-1.0	-55.54	308.19	3.57	-51.97
CC1=CC(=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN1	REAL250004631176	1	38	-1.0	-55.60	308.25	3.58	-52.02
CC1=CC=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631177	0	37	-1.0	-45.24	291.50	3.78	-41.46
CC1=CC=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631177	1	37	-1.0	-45.24	291.56	3.80	-41.44
CCN1CCOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631178	0	44	-1.0	-46.32	332.51	2.58	-43.74
CCN1CCOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631178	1	44	-1.0	-46.32	332.57	2.59	-43.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC(C)C1	REAL250004631179	0	44	-1.0	-37.21	319.18	6.24	-30.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(C)C1	REAL250004631179	1	44	-1.0	-37.21	319.24	6.26	-30.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CC1	REAL250004631180	0	38	-1.0	-43.22	301.86	5.59	-37.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CC1	REAL250004631180	1	38	-1.0	-43.18	301.92	5.61	-37.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(C)C)OC=N1	REAL250004631181	0	40	-1.0	-41.76	321.52	4.32	-37.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(C)C)OC=N1	REAL250004631181	1	40	-1.0	-41.76	321.47	4.31	-37.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(=O)N(C)C	REAL250004631182	0	44	-1.0	-55.98	350.07	4.39	-51.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(=O)N(C)C	REAL250004631182	1	44	-1.0	-56.03	350.13	4.40	-51.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CCOCC1	REAL250004631183	0	43	-1.0	-48.44	338.21	3.94	-44.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CCOCC1	REAL250004631183	1	43	-1.0	-48.45	338.26	3.96	-44.49
CCCCC(CC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631184	0	49	-1.0	-43.75	364.09	7.42	-36.33
CCCCC(CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631184	1	49	-1.0	-43.77	364.14	7.43	-36.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(C)C	REAL250004631185	0	40	-1.0	-44.85	296.53	4.67	-40.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(C)C	REAL250004631185	1	40	-1.0	-44.86	296.58	4.68	-40.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCSCC1	REAL250004631186	0	39	-1.0	-43.33	303.35	5.00	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCSCC1	REAL250004631186	1	39	-1.0	-43.31	303.40	5.01	-38.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C(C)C)C=C1	REAL250004631187	0	41	-1.0	-44.70	327.93	5.48	-39.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C(C)C)C=C1	REAL250004631187	1	41	-1.0	-44.74	327.87	5.48	-39.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(C)CC1	REAL250004631188	0	47	-1.0	-44.53	341.01	6.89	-37.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(C)CC1	REAL250004631188	1	47	-1.0	-44.57	341.07	6.90	-37.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(C)(C)C	REAL250004631189	0	43	-1.0	-43.15	312.06	5.34	-37.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(C)(C)C	REAL250004631189	1	43	-1.0	-43.14	312.12	5.36	-37.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1CCCC1	REAL250004631190	0	47	-1.0	-44.97	348.07	7.00	-37.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC1CCCC1	REAL250004631190	1	47	-1.0	-44.97	348.13	7.02	-37.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCCO1	REAL250004631191	0	45	-1.0	-45.26	344.76	5.18	-40.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCCO1	REAL250004631191	1	45	-1.0	-45.23	344.81	5.19	-40.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)C=N1	REAL250004631192	0	35	-1.0	-43.51	301.14	5.30	-38.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)C=N1	REAL250004631192	1	35	-1.0	-43.51	301.08	5.29	-38.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(C)C)=NO1	REAL250004631193	0	40	-1.0	-40.22	325.00	4.86	-35.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(C)C)=NO1	REAL250004631193	1	40	-1.0	-40.22	325.06	4.87	-35.35
COC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631194	0	38	-1.0	-48.23	278.75	3.07	-45.16
COC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631194	1	38	-1.0	-48.24	278.81	3.08	-45.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CN=C1	REAL250004631195	0	37	-1.0	-45.30	305.34	4.52	-40.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CN=C1	REAL250004631195	1	37	-1.0	-45.28	305.40	4.54	-40.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCN1C	REAL250004631196	1	40	-1.0	-46.70	307.28	2.53	-44.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCN1C	REAL250004631196	1	40	-1.0	-46.74	307.34	2.55	-44.19
CC1=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004631197	0	37	-1.0	-50.12	303.58	4.42	-45.70
CC1=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004631197	1	37	-1.0	-50.11	303.64	4.43	-45.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCCCC1	REAL250004631198	0	45	-1.0	-41.34	332.60	4.51	-36.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCCCC1	REAL250004631198	1	45	-1.0	-41.36	332.66	4.52	-36.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)OC1CCCC1	REAL250004631199	0	45	-1.0	-38.97	343.34	6.24	-32.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)OC1CCCC1	REAL250004631199	1	45	-1.0	-39.00	343.40	6.26	-32.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CCC1O2	REAL250004631200	0	40	-1.0	-37.54	299.01	3.63	-33.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CCC1O2	REAL250004631200	1	40	-1.0	-37.56	299.08	3.63	-33.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CN=C1N	REAL250004631201	0	35	-1.0	-38.80	296.06	0.75	-38.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CN=C1N	REAL250004631201	1	35	-1.0	-38.78	296.00	0.72	-38.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NC1CC1	REAL250004631202	0	36	-1.0	-39.82	296.45	1.99	-37.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NC1CC1	REAL250004631202	1	36	-1.0	-39.85	296.51	2.00	-37.85
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=NN1C	REAL250004631203	0	37	-1.0	-45.41	301.17	2.93	-42.48
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=NN1C	REAL250004631203	1	37	-1.0	-45.44	301.22	2.95	-42.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=CS1	REAL250004631204	0	38	-1.0	-38.57	312.40	6.02	-32.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=CS1	REAL250004631204	1	38	-1.0	-38.57	312.45	6.03	-32.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)C	REAL250004631205	0	43	-1.0	-44.39	324.27	5.68	-38.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)C	REAL250004631205	1	43	-1.0	-44.37	324.33	5.70	-38.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCC1	REAL250004631206	0	36	-1.0	-39.76	285.37	4.56	-35.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCC1	REAL250004631206	1	36	-1.0	-39.78	285.43	4.58	-35.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=N1	REAL250004631207	0	34	-1.0	-38.49	295.58	5.74	-32.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=N1	REAL250004631207	1	34	-1.0	-38.46	295.52	5.72	-32.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCCC1	REAL250004631208	0	42	-1.0	-42.47	318.45	3.72	-38.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCCC1	REAL250004631208	1	42	-1.0	-42.45	318.51	3.74	-38.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=CC=CC=C21	REAL250004631209	0	39	-1.0	-40.75	312.71	7.10	-33.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=CC=CC=C21	REAL250004631209	1	39	-1.0	-40.73	312.76	7.10	-33.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CSC=C1	REAL250004631210	0	38	-1.0	-37.71	313.22	5.99	-31.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CSC=C1	REAL250004631210	1	38	-1.0	-37.65	313.24	5.99	-31.66
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=CO1	REAL250004631211	0	37	-1.0	-41.69	301.63	3.68	-38.01
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=CO1	REAL250004631211	1	37	-1.0	-41.68	301.57	3.68	-38.00
CCCCSCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631213	0	44	-1.0	-42.08	356.73	6.92	-35.16
CCCCSCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631213	1	44	-1.0	-42.09	356.79	6.93	-35.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1CCCCC1	REAL250004631214	0	45	-1.0	-44.04	344.54	7.05	-36.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1CCCCC1	REAL250004631214	1	45	-1.0	-44.08	344.60	7.07	-37.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C1CCC(C)CC1	REAL250004631215	0	45	-1.0	-45.92	334.75	6.81	-39.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C1CCC(C)CC1	REAL250004631215	1	45	-1.0	-45.90	334.81	6.84	-39.06
CSCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631216	0	41	-1.0	-43.56	338.28	6.11	-37.45
CSCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631216	1	41	-1.0	-43.57	338.33	6.13	-37.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCOC1	REAL250004631217	0	39	-1.0	-46.21	304.76	3.38	-42.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCOC1	REAL250004631217	1	39	-1.0	-46.23	304.82	3.39	-42.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NNC=C1	REAL250004631218	0	35	-1.0	-52.30	289.62	2.75	-49.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NNC=C1	REAL250004631218	1	35	-1.0	-52.31	289.68	2.77	-49.54
CCOC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631219	0	41	-1.0	-46.97	329.14	5.39	-41.58
CCOC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631219	1	41	-1.0	-46.98	329.19	5.40	-41.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCCO1	REAL250004631220	0	37	-1.0	-44.79	285.60	4.00	-40.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCCO1	REAL250004631220	1	37	-1.0	-44.84	285.66	4.01	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)CC1	REAL250004631221	0	44	-1.0	-46.75	315.44	5.96	-40.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)CC1	REAL250004631221	1	44	-1.0	-46.76	315.50	5.96	-40.80
COC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=N1	REAL250004631223	0	37	-1.0	-42.38	307.60	1.54	-40.84
COC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=N1	REAL250004631223	1	37	-1.0	-42.43	307.54	1.52	-40.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC=C1F	REAL250004631224	0	34	-1.0	-43.75	287.44	3.58	-40.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC=C1F	REAL250004631224	1	34	-1.0	-43.71	287.42	3.56	-40.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1CCOCC1	REAL250004631226	0	43	-1.0	-43.49	324.16	2.10	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1CCOCC1	REAL250004631226	1	43	-1.0	-43.51	324.22	2.11	-41.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCCCC1	REAL250004631228	0	47	-1.0	-45.65	320.76	6.10	-39.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCCCC1	REAL250004631228	1	47	-1.0	-45.63	320.82	6.11	-39.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=CO1	REAL250004631229	0	38	-1.0	-46.36	301.71	5.18	-41.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=CO1	REAL250004631229	1	38	-1.0	-46.39	301.77	5.20	-41.19
CC1=CC(F)=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631230	0	38	-1.0	-44.15	313.77	5.97	-38.18
CC1=CC(F)=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631230	1	38	-1.0	-44.09	313.83	5.99	-38.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC1	REAL250004631231	0	38	-1.0	-44.85	295.58	5.29	-39.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC1	REAL250004631231	1	38	-1.0	-44.85	295.64	5.30	-39.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCC(C)O1	REAL250004631232	0	45	-1.0	-43.44	349.67	5.18	-38.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCC(C)O1	REAL250004631232	1	45	-1.0	-43.44	349.72	5.20	-38.24
CCC(C)(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631233	0	43	-1.0	-43.08	315.08	5.62	-37.46
CCC(C)(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631233	1	43	-1.0	-43.15	315.13	5.63	-37.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCS1	REAL250004631234	0	36	-1.0	-47.71	293.26	4.89	-42.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCS1	REAL250004631234	1	36	-1.0	-47.68	293.31	4.90	-42.78
COCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004631235	0	38	-1.0	-44.95	312.30	3.50	-41.45
COCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004631235	1	38	-1.0	-44.98	312.36	3.51	-41.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC=C1Cl	REAL250004631236	0	34	-1.0	-34.57	283.65	3.73	-30.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC=C1Cl	REAL250004631236	1	34	-1.0	-34.59	283.65	3.72	-30.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCOCC1	REAL250004631237	0	45	-1.0	-46.16	340.87	4.81	-41.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCOCC1	REAL250004631237	1	45	-1.0	-46.13	340.92	4.82	-41.31
CC1=CC=C(C(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631238	0	41	-1.0	-49.14	327.87	6.32	-42.82
CC1=CC=C(C(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631238	1	41	-1.0	-49.13	327.93	6.33	-42.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C)CCO1	REAL250004631239	0	41	-1.0	-47.20	312.32	2.00	-45.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C)CCO1	REAL250004631239	1	41	-1.0	-47.26	312.38	2.02	-45.24
CC1=NC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631240	0	37	-1.0	-39.85	297.09	2.07	-37.78
CC1=NC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631240	1	37	-1.0	-39.84	297.16	2.07	-37.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(=O)N(C)C	REAL250004631241	0	38	-1.0	-56.86	302.10	4.20	-52.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(=O)N(C)C	REAL250004631241	1	38	-1.0	-56.82	302.16	4.22	-52.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1CCCC1	REAL250004631242	0	47	-1.0	-44.50	354.74	7.37	-37.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1CCCC1	REAL250004631242	1	47	-1.0	-44.47	354.80	7.39	-37.08
CCCCCCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631243	0	49	-1.0	-44.39	370.68	7.52	-36.87
CCCCCCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631243	1	49	-1.0	-44.33	370.73	7.53	-36.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(F)(F)F	REAL250004631244	0	34	-1.0	-36.53	283.15	4.31	-32.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(F)(F)F	REAL250004631244	1	34	-1.0	-36.52	283.21	4.32	-32.20
CCCCCC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631245	0	49	-1.0	-44.24	368.84	7.56	-36.68
CCCCCC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631245	1	49	-1.0	-44.24	368.89	7.57	-36.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(=O)N1	REAL250004631246	0	35	-1.0	-42.31	291.69	2.69	-39.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(=O)N1	REAL250004631246	1	35	-1.0	-42.34	291.75	2.71	-39.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCC1	REAL250004631247	0	41	-1.0	-43.98	320.27	6.17	-37.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCC1	REAL250004631247	1	41	-1.0	-43.98	320.33	6.19	-37.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCCC1	REAL250004631248	0	44	-1.0	-44.09	328.92	6.30	-37.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCCC1	REAL250004631248	1	44	-1.0	-44.07	328.98	6.32	-37.75
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(F)=C1	REAL250004631249	0	38	-1.0	-47.42	313.06	5.97	-41.45
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(F)=C1	REAL250004631249	1	38	-1.0	-47.40	313.12	5.97	-41.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(N)=O)=CN1	REAL250004631250	0	37	-1.0	-57.99	293.37	0.42	-57.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(N)=O)=CN1	REAL250004631250	1	37	-1.0	-57.97	293.43	0.42	-57.55
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631251	0	38	-1.0	-47.77	292.71	5.03	-42.74
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631251	1	38	-1.0	-47.79	292.76	5.05	-42.74
CC1=CSC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631252	0	35	-1.0	-44.07	299.10	5.09	-38.98
CC1=CSC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631252	1	35	-1.0	-44.07	299.16	5.10	-38.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NC=CC2=CC=C1	REAL250004631253	0	39	-1.0	-46.24	318.06	5.21	-41.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NC=CC2=CC=C1	REAL250004631253	1	39	-1.0	-46.25	318.01	5.20	-41.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)S1	REAL250004631254	0	33	-1.0	-41.77	290.16	4.57	-37.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)S1	REAL250004631254	1	33	-1.0	-41.75	290.22	4.59	-37.16
CC1=CC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631255	0	38	-1.0	-45.00	307.65	5.32	-39.68
CC1=CC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631255	1	38	-1.0	-45.03	307.71	5.34	-39.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=CC=C1	REAL250004631256	0	39	-1.0	-41.60	317.75	6.18	-35.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=CC=C1	REAL250004631256	1	39	-1.0	-41.58	317.81	6.19	-35.39
C=CCOCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631257	0	42	-1.0	-46.40	340.47	4.70	-41.70
C=CCOCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631257	1	42	-1.0	-46.40	340.52	4.72	-41.68
CC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631258	0	37	-1.0	-40.39	297.08	3.99	-36.40
CC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631258	1	37	-1.0	-40.37	297.04	4.00	-36.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(F)(F)F	REAL250004631259	0	34	-1.0	-40.78	290.17	4.48	-36.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(F)(F)F	REAL250004631259	1	34	-1.0	-40.75	290.23	4.49	-36.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CCOCC2	REAL250004631260	0	43	-1.0	-46.27	331.70	4.84	-41.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CCOCC2	REAL250004631260	1	43	-1.0	-46.22	331.76	4.85	-41.37
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=N1	REAL250004631261	0	34	-1.0	-44.52	279.78	1.13	-43.39
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=N1	REAL250004631261	1	34	-1.0	-44.54	279.83	1.14	-43.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCCN1C	REAL250004631262	1	43	-1.0	-45.44	320.86	2.84	-42.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCCN1C	REAL250004631262	1	43	-1.0	-45.42	320.91	2.86	-42.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CCCC21	REAL250004631263	0	39	-1.0	-44.22	293.44	5.84	-38.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CCCC21	REAL250004631263	1	39	-1.0	-44.24	293.50	5.84	-38.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CC1	REAL250004631264	0	38	-1.0	-45.20	291.89	5.38	-39.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CC1	REAL250004631264	1	38	-1.0	-45.20	291.95	5.40	-39.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCN1C(N)=O	REAL250004631265	0	41	-1.0	-61.96	318.59	1.08	-60.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCN1C(N)=O	REAL250004631265	1	41	-1.0	-62.01	318.65	1.10	-60.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCCCC1	REAL250004631266	0	47	-1.0	-44.16	340.13	6.89	-37.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCCCC1	REAL250004631266	1	47	-1.0	-44.14	340.19	6.91	-37.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C#N)=CN1	REAL250004631267	0	34	-1.0	-34.80	282.48	4.87	-29.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C#N)=CN1	REAL250004631267	1	34	-1.0	-34.88	282.62	4.86	-30.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1=CC=CC=C1	REAL250004631268	0	37	-1.0	-45.98	316.13	6.77	-39.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1=CC=CC=C1	REAL250004631268	1	37	-1.0	-45.93	316.18	6.78	-39.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CN(C)N=C1	REAL250004631269	0	41	-1.0	-42.85	326.99	4.75	-38.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CN(C)N=C1	REAL250004631269	1	41	-1.0	-42.81	326.96	4.75	-38.06
CCCCCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631270	0	49	-1.0	-45.68	351.39	6.59	-39.09
CCCCCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631270	1	49	-1.0	-45.68	351.45	6.60	-39.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=COC=C1	REAL250004631271	0	38	-1.0	-44.62	310.93	5.00	-39.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=COC=C1	REAL250004631271	1	38	-1.0	-44.59	310.99	5.02	-39.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CC(C)C	REAL250004631272	0	46	-1.0	-46.13	319.43	5.30	-40.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CC(C)C	REAL250004631272	1	46	-1.0	-46.15	319.49	5.32	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCOC1	REAL250004631273	0	45	-1.0	-43.39	342.03	4.85	-38.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCOC1	REAL250004631273	1	45	-1.0	-43.39	342.09	4.86	-38.53
CC1=CC=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631274	0	37	-1.0	-47.01	298.82	4.82	-42.19
CC1=CC=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631274	1	37	-1.0	-47.00	298.76	4.81	-42.19
CC(C)=C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631275	0	38	-1.0	-46.60	298.88	4.84	-41.76
CC(C)=C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631275	1	38	-1.0	-46.61	298.94	4.86	-41.75
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631276	0	41	-1.0	-37.44	296.91	5.46	-31.98
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631276	1	41	-1.0	-37.44	296.96	5.47	-31.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(C)(C)C1(C)C	REAL250004631277	0	44	-1.0	-44.98	328.34	6.12	-38.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(C)(C)C1(C)C	REAL250004631277	1	44	-1.0	-44.96	328.40	6.14	-38.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NN=CN1	REAL250004631278	0	37	-1.0	-49.66	302.92	4.44	-45.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NN=CN1	REAL250004631278	1	37	-1.0	-49.65	302.97	4.45	-45.20
CNS(=O)(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631279	0	36	-1.0	-55.51	306.97	-1.22	-56.73
CNS(=O)(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631279	1	36	-1.0	-55.55	307.02	-1.20	-56.75
CSC=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631280	0	33	-1.0	-43.50	283.19	4.09	-39.41
CSC=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631280	1	33	-1.0	-43.51	283.25	4.11	-39.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCOC1	REAL250004631281	0	42	-1.0	-46.07	324.23	4.06	-42.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCOC1	REAL250004631281	1	42	-1.0	-46.10	324.29	4.07	-42.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C#N)=CS1	REAL250004631282	0	33	-1.0	-44.78	286.84	4.08	-40.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C#N)=CS1	REAL250004631282	1	33	-1.0	-44.74	286.90	4.10	-40.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)C(F)F	REAL250004631283	0	31	-1.0	-38.91	266.99	3.84	-35.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)C(F)F	REAL250004631283	1	31	-1.0	-38.94	267.04	3.85	-35.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CN=N1	REAL250004631284	0	34	-1.0	-56.74	284.67	2.41	-54.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CN=N1	REAL250004631284	1	34	-1.0	-56.75	284.62	2.40	-54.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=NC=C1Cl	REAL250004631285	0	33	-1.0	-37.44	286.75	5.60	-31.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=NC=C1Cl	REAL250004631285	1	33	-1.0	-37.45	286.69	5.60	-31.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C=O)N1	REAL250004631286	0	35	-1.0	-46.70	289.40	3.61	-43.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C=O)N1	REAL250004631286	1	35	-1.0	-46.69	289.46	3.62	-43.07
COC1=CSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631287	0	36	-1.0	-46.81	298.06	3.14	-43.67
COC1=CSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631287	1	36	-1.0	-46.84	298.11	3.16	-43.68
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CN1	REAL250004631288	0	36	-1.0	-48.66	282.06	3.66	-45.00
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CN1	REAL250004631288	1	36	-1.0	-48.68	282.12	3.67	-45.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCC1	REAL250004631289	0	38	-1.0	-45.21	284.55	4.47	-40.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCC1	REAL250004631289	1	38	-1.0	-45.16	284.61	4.48	-40.68
C=CCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631290	0	38	-1.0	-44.51	303.34	5.33	-39.18
C=CCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631290	1	38	-1.0	-44.51	303.40	5.34	-39.17
CC(C)CCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631291	0	49	-1.0	-43.74	375.60	7.72	-36.02
CC(C)CCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631291	1	49	-1.0	-43.73	375.66	7.74	-35.99
CC1=CC=C(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631292	0	41	-1.0	-44.92	334.62	6.05	-38.87
CC1=CC=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631292	1	41	-1.0	-44.95	334.67	6.07	-38.88
COC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631293	0	38	-1.0	-52.32	306.13	1.71	-50.61
COC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631293	1	38	-1.0	-52.31	306.07	1.70	-50.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CCOC1	REAL250004631294	0	40	-1.0	-48.97	318.82	3.06	-45.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CCOC1	REAL250004631294	1	40	-1.0	-48.91	318.88	3.08	-45.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CCCC2	REAL250004631295	0	42	-1.0	-44.68	318.00	6.35	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CCCC2	REAL250004631295	1	42	-1.0	-44.67	318.07	6.37	-38.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(C=O)=C1	REAL250004631296	0	34	-1.0	-54.14	293.28	3.92	-50.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(C=O)=C1	REAL250004631296	1	34	-1.0	-54.16	293.34	3.93	-50.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(F)(F)C1	REAL250004631297	0	35	-1.0	-41.88	286.33	4.61	-37.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(F)(F)C1	REAL250004631297	1	35	-1.0	-41.88	286.39	4.62	-37.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)NC=C1	REAL250004631298	0	35	-1.0	-56.68	283.51	1.94	-54.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)NC=C1	REAL250004631298	1	35	-1.0	-56.69	283.56	1.95	-54.74
CCCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631299	0	41	-1.0	-36.62	313.35	6.20	-30.42
CCCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631299	1	41	-1.0	-36.64	313.41	6.21	-30.43
CCC(CC)(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631300	0	46	-1.0	-37.37	311.38	5.61	-31.76
CCC(CC)(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631300	1	46	-1.0	-37.42	311.43	5.64	-31.78
COCCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631301	0	45	-1.0	-47.73	336.30	4.06	-43.67
COCCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631301	1	45	-1.0	-47.69	336.36	4.08	-43.61
CC1=NNC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631302	0	38	-1.0	-46.73	312.39	3.21	-43.52
CC1=NNC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631302	1	38	-1.0	-46.72	312.44	3.23	-43.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C=C1	REAL250004631303	0	36	-1.0	-42.22	282.66	5.13	-37.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C=C1	REAL250004631303	1	36	-1.0	-42.20	282.71	5.13	-37.07
COCC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631304	0	41	-1.0	-46.00	318.52	3.71	-42.29
COCC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631304	1	41	-1.0	-46.01	318.57	3.73	-42.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCCO1	REAL250004631305	0	42	-1.0	-48.00	323.78	5.37	-42.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCCO1	REAL250004631305	1	42	-1.0	-48.02	323.83	5.39	-42.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCO1	REAL250004631306	0	39	-1.0	-46.50	294.07	3.31	-43.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCO1	REAL250004631306	1	39	-1.0	-46.55	294.13	3.32	-43.23
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)COC1	REAL250004631307	0	39	-1.0	-36.99	294.36	3.02	-33.97
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)COC1	REAL250004631307	1	39	-1.0	-37.02	294.42	3.03	-33.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1C(C)C	REAL250004631309	0	41	-1.0	-44.00	311.62	4.29	-39.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1C(C)C	REAL250004631309	1	41	-1.0	-44.01	311.57	4.27	-39.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CN=C1	REAL250004631310	0	37	-1.0	-45.30	305.34	4.52	-40.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CN=C1	REAL250004631310	1	37	-1.0	-45.28	305.40	4.54	-40.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(O)C=C1	REAL250004631311	0	39	-1.0	-46.78	321.57	3.45	-43.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(O)C=C1	REAL250004631311	1	39	-1.0	-46.77	321.63	3.47	-43.30
CC1=CC=CC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631312	0	41	-1.0	-38.82	320.43	6.59	-32.23
CC1=CC=CC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631312	1	41	-1.0	-38.81	320.49	6.61	-32.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCC(C)CC1	REAL250004631313	1	46	-1.0	-44.52	346.80	4.29	-40.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCC(C)CC1	REAL250004631313	1	46	-1.0	-44.56	346.86	4.31	-40.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCNC(=O)C1	REAL250004631314	0	39	-1.0	-38.13	305.54	1.89	-36.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCNC(=O)C1	REAL250004631314	1	39	-1.0	-38.12	305.61	1.90	-36.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)(C)CC1	REAL250004631315	0	47	-1.0	-44.86	339.72	6.62	-38.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)(C)CC1	REAL250004631315	1	47	-1.0	-44.85	339.79	6.62	-38.23
COC(=O)C(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631316	0	40	-1.0	-42.01	319.82	4.59	-37.42
COC(=O)C(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631316	1	40	-1.0	-42.01	319.88	4.61	-37.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)=C1CCCC1	REAL250004631317	0	39	-1.0	-40.01	303.33	6.08	-33.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)=C1CCCC1	REAL250004631317	1	39	-1.0	-39.99	303.39	6.07	-33.92
CCC1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631318	0	41	-1.0	-45.88	320.65	6.63	-39.25
CCC1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631318	1	41	-1.0	-45.88	320.70	6.65	-39.23
CCC1(C)CC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631319	0	41	-1.0	-44.21	315.62	5.99	-38.22
CCC1(C)CC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631319	1	41	-1.0	-44.21	315.68	6.00	-38.21
CCCC(C)(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631320	0	41	-1.0	-42.12	308.54	2.24	-39.88
CCCC(C)(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631320	1	41	-1.0	-42.11	308.60	2.26	-39.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=NC=CN21	REAL250004631321	0	38	-1.0	-45.90	300.86	5.29	-40.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=NC=CN21	REAL250004631321	1	38	-1.0	-45.93	300.94	5.28	-40.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CCC2	REAL250004631322	0	39	-1.0	-47.22	296.29	5.59	-41.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CCC2	REAL250004631322	1	39	-1.0	-47.22	296.35	5.61	-41.61
CC1=CC=CC(F)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631323	0	38	-1.0	-52.05	310.79	5.88	-46.17
CC1=CC=CC(F)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631323	1	38	-1.0	-52.03	310.84	5.89	-46.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(F)=C1	REAL250004631324	0	34	-1.0	-41.74	282.11	3.34	-38.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(F)=C1	REAL250004631324	1	34	-1.0	-41.72	282.05	3.32	-38.40
CCCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631325	0	44	-1.0	-47.15	325.32	5.81	-41.34
CCCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631325	1	44	-1.0	-47.18	325.38	5.83	-41.35
CCC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)CC	REAL250004631326	0	41	-1.0	-43.33	317.41	5.95	-37.38
CCC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)CC	REAL250004631326	1	41	-1.0	-43.29	317.47	5.96	-37.33
CC1=CC(=O)NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631327	0	38	-1.0	-45.72	307.37	2.70	-43.02
CC1=CC(=O)NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631327	1	38	-1.0	-45.78	307.43	2.71	-43.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=NC(C#N)=N1	REAL250004631329	0	35	-1.0	-54.71	305.32	4.49	-50.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=NC(C#N)=N1	REAL250004631329	1	35	-1.0	-54.74	305.26	4.47	-50.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC(C)C1	REAL250004631330	0	39	-1.0	-43.57	300.44	5.31	-38.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC(C)C1	REAL250004631330	1	39	-1.0	-43.59	300.49	5.30	-38.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(C2CC2)=N1	REAL250004631331	0	39	-1.0	-48.09	314.10	5.30	-42.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(C2CC2)=N1	REAL250004631331	1	39	-1.0	-48.14	314.15	5.31	-42.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(C)C1	REAL250004631332	0	44	-1.0	-44.97	331.62	6.46	-38.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(C)C1	REAL250004631332	1	44	-1.0	-45.01	331.68	6.48	-38.53
CCC(CC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631333	0	43	-1.0	-44.50	322.05	5.82	-38.68
CCC(CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631333	1	43	-1.0	-44.49	322.11	5.84	-38.65
CC=C(C=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)CC	REAL250004631334	0	42	-1.0	-45.13	329.72	6.32	-38.81
CC=C(C=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)CC	REAL250004631334	1	42	-1.0	-45.15	329.78	6.34	-38.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C1CCC(C)C1	REAL250004631335	0	42	-1.0	-44.60	326.72	6.61	-37.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C1CCC(C)C1	REAL250004631335	1	42	-1.0	-44.63	326.77	6.62	-38.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(C)C)CC1	REAL250004631336	0	41	-1.0	-46.71	300.93	5.69	-41.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(C)C)CC1	REAL250004631336	1	41	-1.0	-46.74	300.99	5.70	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCSC1	REAL250004631337	0	36	-1.0	-41.65	281.72	4.74	-36.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCSC1	REAL250004631337	1	36	-1.0	-41.69	281.78	4.75	-36.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)C1	REAL250004631338	0	38	-1.0	-44.24	288.01	5.12	-39.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)C1	REAL250004631338	1	38	-1.0	-44.22	288.08	5.14	-39.08
CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)=C1CCCC1	REAL250004631339	0	42	-1.0	-47.34	312.12	6.01	-41.33
CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)=C1CCCC1	REAL250004631339	1	42	-1.0	-47.29	312.18	6.02	-41.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCCCC1	REAL250004631340	0	42	-1.0	-43.26	307.86	3.61	-39.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCCCC1	REAL250004631340	1	42	-1.0	-43.28	307.92	3.63	-39.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCCC1	REAL250004631341	0	39	-1.0	-48.90	280.67	2.52	-46.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCCC1	REAL250004631341	1	39	-1.0	-48.90	280.74	2.53	-46.37
COCC(C)(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631342	0	39	-1.0	-41.34	303.43	0.28	-41.06
COCC(C)(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631342	1	39	-1.0	-41.35	303.48	0.30	-41.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCSCC1	REAL250004631343	0	42	-1.0	-43.72	328.74	6.18	-37.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCSCC1	REAL250004631343	1	42	-1.0	-43.71	328.80	6.19	-37.52
CCOC(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004631344	0	47	-1.0	-44.53	354.31	6.04	-38.49
CCOC(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004631344	1	47	-1.0	-44.54	354.37	6.05	-38.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C=N1	REAL250004631345	0	35	-1.0	-45.87	288.27	6.07	-39.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C=N1	REAL250004631345	1	35	-1.0	-45.89	288.21	6.07	-39.82
COC(=O)CC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631346	0	40	-1.0	-38.54	317.76	4.73	-33.81
COC(=O)CC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631346	1	40	-1.0	-38.60	317.76	4.74	-33.86
CC1=C(C)OC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631347	0	38	-1.0	-45.45	309.43	5.25	-40.20
CC1=C(C)OC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631347	1	38	-1.0	-45.41	309.49	5.26	-40.15
C=CCC(CC=C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631348	0	42	-1.0	-37.34	328.43	6.39	-30.95
C=CCC(CC=C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631348	1	42	-1.0	-37.36	328.47	6.39	-30.97
CCC[C@@H](NC(N)=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631349	0	43	-1.0	-58.20	333.86	1.40	-56.80
CCC[C@@H](NC(N)=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631349	1	43	-1.0	-58.17	333.91	1.41	-56.76
CC1=CC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004631350	0	39	-1.0	-37.23	305.92	5.63	-31.60
CC1=CC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004631350	1	39	-1.0	-37.25	305.98	5.64	-31.61
CCC1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631351	0	42	-1.0	-38.47	321.94	5.64	-32.83
CCC1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631351	1	42	-1.0	-38.50	321.99	5.64	-32.86
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004631352	0	44	-1.0	-46.36	317.14	5.51	-40.85
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004631352	1	44	-1.0	-46.36	317.20	5.53	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CC(C)C)CCC1	REAL250004631353	0	47	-1.0	-46.55	337.56	6.20	-40.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CC(C)C)CCC1	REAL250004631353	1	47	-1.0	-46.54	337.62	6.22	-40.32
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1F	REAL250004631354	0	38	-1.0	-40.56	305.13	5.88	-34.68
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1F	REAL250004631354	1	38	-1.0	-40.56	305.20	5.87	-34.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C1CC1)C1CC1	REAL250004631355	0	42	-1.0	-52.33	289.48	5.59	-46.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1CC1)C1CC1	REAL250004631355	1	42	-1.0	-52.34	289.55	5.60	-46.74
CSCCC(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631356	0	39	-1.0	-44.67	320.62	3.10	-41.57
CSCCC(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631356	1	39	-1.0	-44.66	320.68	3.12	-41.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](O)C1=CC=CC=C1	REAL250004631357	0	39	-1.0	-34.98	308.22	4.32	-30.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](O)C1=CC=CC=C1	REAL250004631357	1	39	-1.0	-35.00	308.22	4.33	-30.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](O)C1=CC=CC=C1	REAL250004631358	0	39	-1.0	-44.42	311.00	3.93	-40.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](O)C1=CC=CC=C1	REAL250004631358	1	39	-1.0	-44.40	311.06	3.94	-40.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C(C)(C)C	REAL250004631359	0	41	-1.0	-35.53	312.16	1.97	-33.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C(C)(C)C	REAL250004631359	1	41	-1.0	-35.64	312.90	1.90	-33.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC1(C)C	REAL250004631361	0	38	-1.0	-46.51	285.69	4.89	-41.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC1(C)C	REAL250004631361	1	38	-1.0	-46.55	285.75	4.90	-41.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC=C1[N+](=O)[O-]	REAL250004631362	0	34	-1.0	-55.82	290.45	4.12	-51.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC=C1[N+](=O)[O-]	REAL250004631362	1	34	-1.0	-55.82	290.51	4.14	-51.68
CNC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631363	0	37	-1.0	-43.41	304.07	-0.39	-43.80
CNC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631363	1	37	-1.0	-43.45	304.13	-0.38	-43.83
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004631364	0	37	-1.0	-46.54	301.75	5.55	-40.99
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004631364	1	37	-1.0	-46.54	301.69	5.54	-41.00
CC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631365	0	38	-1.0	-48.00	313.22	5.27	-42.73
CC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631365	1	38	-1.0	-48.01	313.28	5.28	-42.73
CCCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004631366	0	46	-1.0	-45.86	334.13	6.26	-39.60
CCCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004631366	1	46	-1.0	-45.86	334.19	6.27	-39.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(C(C)C)=C1	REAL250004631367	0	40	-1.0	-42.07	325.44	5.83	-36.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(C(C)C)=C1	REAL250004631367	1	40	-1.0	-42.07	325.50	5.85	-36.22
CCC(C)C(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631368	0	41	-1.0	-43.68	312.93	1.96	-41.72
CCC(C)C(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631368	1	41	-1.0	-43.63	312.99	1.98	-41.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CO)NC(N)=O	REAL250004631369	0	38	-1.0	-38.99	306.96	-4.32	-43.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CO)NC(N)=O	REAL250004631369	1	38	-1.0	-39.00	307.00	-4.29	-43.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)C1	REAL250004631370	0	34	-1.0	-42.83	278.45	3.61	-39.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)C1	REAL250004631370	1	34	-1.0	-42.88	278.50	3.62	-39.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COCCN1C	REAL250004631371	0	41	-1.0	-43.63	309.03	0.65	-42.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COCCN1C	REAL250004631371	1	41	-1.0	-43.62	309.08	0.67	-42.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CO1	REAL250004631372	0	31	-1.0	-38.12	261.05	0.66	-37.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CO1	REAL250004631372	1	31	-1.0	-38.11	260.99	0.65	-37.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN1C(C)C	REAL250004631373	0	42	-1.0	-46.85	323.57	6.25	-40.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN1C(C)C	REAL250004631373	1	42	-1.0	-46.88	323.63	6.27	-40.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)C(C)C1	REAL250004631374	0	43	-1.0	-39.57	330.73	5.60	-33.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)C(C)C1	REAL250004631374	1	43	-1.0	-39.58	330.75	5.61	-33.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2C=CC=CN12	REAL250004631375	0	38	-1.0	-49.69	302.02	5.31	-44.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2C=CC=CN12	REAL250004631375	1	38	-1.0	-49.71	301.96	5.29	-44.42
CCCC(CCC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631376	0	46	-1.0	-45.82	351.04	6.62	-39.20
CCCC(CCC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631376	1	46	-1.0	-45.81	351.10	6.63	-39.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)CC1C	REAL250004631377	0	43	-1.0	-38.55	326.47	5.45	-33.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)CC1C	REAL250004631377	1	43	-1.0	-38.61	326.52	5.46	-33.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C)CCCCC1	REAL250004631378	0	47	-1.0	-43.21	338.34	6.83	-36.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C)CCCCC1	REAL250004631378	1	47	-1.0	-43.22	338.40	6.85	-36.37
CC1=NN=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631379	0	36	-1.0	-40.29	291.72	2.82	-37.47
CC1=NN=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631379	1	36	-1.0	-40.30	291.78	2.84	-37.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCSCC1	REAL250004631380	0	40	-1.0	-36.71	305.98	3.63	-33.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCSCC1	REAL250004631380	1	40	-1.0	-36.71	306.04	3.63	-33.08
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCO1	REAL250004631381	0	40	-1.0	-38.53	303.63	4.36	-34.17
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCO1	REAL250004631381	1	40	-1.0	-38.51	303.68	4.37	-34.14
CCN1CCOCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631382	0	44	-1.0	-44.05	324.23	1.21	-42.84
CCN1CCOCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631382	1	44	-1.0	-44.01	324.29	1.22	-42.79
COCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631383	0	41	-1.0	-37.63	306.68	3.64	-33.99
COCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631383	1	41	-1.0	-37.69	306.73	3.67	-34.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCOCC1	REAL250004631384	0	45	-1.0	-45.54	329.34	4.16	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCOCC1	REAL250004631384	1	45	-1.0	-45.55	329.39	4.17	-41.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCCC1	REAL250004631385	1	40	-1.0	-44.12	305.05	2.38	-41.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCCC1	REAL250004631385	1	40	-1.0	-44.10	305.11	2.40	-41.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCOCC1	REAL250004631386	0	41	-1.0	-44.33	317.05	1.26	-43.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCOCC1	REAL250004631386	1	41	-1.0	-44.34	317.11	1.27	-43.07
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(O)=C1	REAL250004631387	0	39	-1.0	-38.65	305.91	3.75	-34.90
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(O)=C1	REAL250004631387	1	39	-1.0	-38.67	305.96	3.76	-34.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(O)C=C1O	REAL250004631388	0	37	-1.0	-48.60	306.35	0.10	-48.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(O)C=C1O	REAL250004631388	1	37	-1.0	-48.64	306.40	0.12	-48.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC=C1O	REAL250004631389	0	36	-1.0	-40.26	295.43	3.46	-36.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC=C1O	REAL250004631389	1	36	-1.0	-40.26	295.51	3.47	-36.79
CSC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631390	0	38	-1.0	-44.18	311.10	5.12	-39.06
CSC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631390	1	38	-1.0	-44.20	311.15	5.15	-39.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(=O)N1C	REAL250004631391	0	38	-1.0	-46.54	312.49	3.93	-42.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(=O)N1C	REAL250004631391	1	38	-1.0	-46.58	312.55	3.95	-42.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(NC(N)=O)CC1	REAL250004631392	0	38	-1.0	-60.97	299.94	-0.19	-61.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(NC(N)=O)CC1	REAL250004631392	1	38	-1.0	-60.94	300.00	-0.18	-61.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1N=CN(C)C1=O	REAL250004631393	0	38	-1.0	-59.15	316.20	4.60	-54.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1N=CN(C)C1=O	REAL250004631393	1	38	-1.0	-59.14	316.25	4.61	-54.53
CCC1=CC=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631394	0	40	-1.0	-46.94	322.61	5.29	-41.65
CCC1=CC=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631394	1	40	-1.0	-46.92	322.55	5.27	-41.65
COCCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631395	0	42	-1.0	-48.00	326.32	4.09	-43.91
COCCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631395	1	42	-1.0	-47.99	326.38	4.11	-43.88
CCCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=N1	REAL250004631396	0	40	-1.0	-44.43	327.68	4.04	-40.39
CCCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=N1	REAL250004631396	1	40	-1.0	-44.44	327.62	4.03	-40.41
CC1=CC(F)=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631397	0	38	-1.0	-44.97	302.52	5.68	-39.29
CC1=CC(F)=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631397	1	38	-1.0	-44.96	302.58	5.69	-39.27
CCC(SC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631398	0	38	-1.0	-46.04	305.47	4.76	-41.28
CCC(SC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631398	1	38	-1.0	-46.03	305.53	4.78	-41.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1C=CC=C1	REAL250004631399	0	39	-1.0	-46.17	307.97	5.94	-40.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1C=CC=C1	REAL250004631399	1	39	-1.0	-46.19	308.03	5.97	-40.22
CC(=O)CCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631400	0	45	-1.0	-45.79	334.09	5.57	-40.22
CC(=O)CCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631400	1	45	-1.0	-45.80	334.13	5.59	-40.21
CCN(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004631401	1	43	-1.0	-43.52	328.49	3.79	-39.73
CCN(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631401	1	43	-1.0	-43.54	328.55	3.80	-39.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC=N1	REAL250004631402	0	31	-1.0	-51.18	256.29	3.22	-47.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC=N1	REAL250004631402	1	31	-1.0	-51.17	256.34	3.23	-47.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CC2)ON=C1	REAL250004631403	0	38	-1.0	-38.01	306.19	5.18	-32.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CC2)ON=C1	REAL250004631403	1	38	-1.0	-38.02	306.25	5.18	-32.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=NC=CN2C=C1	REAL250004631404	0	38	-1.0	-38.90	307.60	5.78	-33.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=NC=CN2C=C1	REAL250004631404	1	38	-1.0	-38.91	307.73	5.78	-33.13
CC(=O)C(C)(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631405	0	45	-1.0	-54.49	343.52	5.44	-49.05
CC(=O)C(C)(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631405	1	45	-1.0	-54.48	343.58	5.45	-49.03
C=CC(=O)NCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631406	0	39	-1.0	-53.64	320.49	2.08	-51.56
C=CC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631406	1	39	-1.0	-53.65	320.54	2.09	-51.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1(C)CCC1	REAL250004631407	0	42	-1.0	-48.30	324.60	5.36	-42.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1(C)CCC1	REAL250004631407	1	42	-1.0	-48.27	324.66	5.38	-42.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCO1	REAL250004631408	0	39	-1.0	-48.18	295.81	4.19	-43.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCO1	REAL250004631408	1	39	-1.0	-48.19	295.86	4.21	-43.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(N)=O)O1	REAL250004631409	0	36	-1.0	-42.80	301.65	0.45	-42.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(N)=O)O1	REAL250004631409	1	36	-1.0	-42.79	301.71	0.47	-42.32
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631410	0	39	-1.0	-47.34	296.45	5.30	-42.04
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631410	1	39	-1.0	-47.33	296.52	5.31	-42.02
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CC(=O)N1	REAL250004631411	0	38	-1.0	-42.71	299.72	2.53	-40.18
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CC(=O)N1	REAL250004631411	1	38	-1.0	-42.68	299.78	2.54	-40.14
CC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1=O	REAL250004631412	0	36	-1.0	-46.30	297.01	0.97	-45.33
CC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1=O	REAL250004631412	1	36	-1.0	-46.31	297.07	0.98	-45.33
CCC(C)OCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631413	0	41	-1.0	-47.51	323.20	5.11	-42.40
CCC(C)OCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631413	1	41	-1.0	-47.47	323.26	5.12	-42.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(O)C(C)C	REAL250004631414	0	41	-1.0	-47.58	316.53	2.61	-44.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(O)C(C)C	REAL250004631414	1	41	-1.0	-47.58	316.59	2.62	-44.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1COC(=O)C1	REAL250004631416	0	38	-1.0	-44.57	304.37	4.37	-40.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1COC(=O)C1	REAL250004631416	1	38	-1.0	-44.60	304.42	4.38	-40.22
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC=N1	REAL250004631417	0	36	-1.0	-42.92	297.03	5.30	-37.62
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC=N1	REAL250004631417	1	36	-1.0	-42.97	297.09	5.32	-37.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CO1	REAL250004631419	0	35	-1.0	-46.68	288.33	4.35	-42.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CO1	REAL250004631419	1	35	-1.0	-46.70	288.39	4.36	-42.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(C=CO2)N1	REAL250004631420	0	36	-1.0	-39.05	293.52	4.58	-34.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(C=CO2)N1	REAL250004631420	1	36	-1.0	-39.07	293.56	4.59	-34.48
CCCC(O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631421	0	41	-1.0	-47.87	321.14	3.28	-44.59
CCCC(O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631421	1	41	-1.0	-47.87	321.19	3.29	-44.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CN=CN2C=C1	REAL250004631422	0	38	-1.0	-48.15	311.85	6.67	-41.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CN=CN2C=C1	REAL250004631422	1	38	-1.0	-48.17	311.93	6.68	-41.49
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)S1	REAL250004631423	0	37	-1.0	-45.95	308.99	4.99	-40.96
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)S1	REAL250004631423	1	37	-1.0	-45.90	309.05	5.01	-40.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1(C)C	REAL250004631424	0	38	-1.0	-46.50	285.58	4.86	-41.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1(C)C	REAL250004631424	1	38	-1.0	-46.53	285.63	4.89	-41.64
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC=N1	REAL250004631425	0	37	-1.0	-36.92	298.29	3.94	-32.98
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC=N1	REAL250004631425	1	37	-1.0	-36.95	298.35	3.93	-33.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)N1	REAL250004631426	0	34	-1.0	-34.95	287.73	4.54	-30.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)N1	REAL250004631426	1	34	-1.0	-35.00	287.79	4.56	-30.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NC=NC2=CC=C1	REAL250004631427	0	38	-1.0	-39.57	300.17	4.60	-34.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NC=NC2=CC=C1	REAL250004631427	1	38	-1.0	-39.61	300.12	4.59	-35.02
CCOC=C(C#N)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631428	0	37	-1.0	-44.90	306.12	3.89	-41.01
CCOC=C(C#N)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631428	1	37	-1.0	-44.91	306.17	3.90	-41.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C=CC=C1	REAL250004631429	0	42	-1.0	-46.85	337.48	6.93	-39.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C=CC=C1	REAL250004631429	1	42	-1.0	-46.88	337.54	6.94	-39.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(CC1)C2	REAL250004631430	0	42	-1.0	-45.77	303.23	5.83	-39.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(CC1)C2	REAL250004631430	1	42	-1.0	-45.77	303.29	5.84	-39.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC(F)(F)F	REAL250004631431	0	35	-1.0	-49.58	301.73	4.03	-45.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC(F)(F)F	REAL250004631431	1	35	-1.0	-49.59	301.79	4.04	-45.55
CCC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004631433	0	37	-1.0	-44.48	305.97	3.07	-41.41
CCC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004631433	1	37	-1.0	-44.49	306.03	3.08	-41.41
COC(=O)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631435	0	40	-1.0	-51.50	327.50	4.91	-46.59
COC(=O)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631435	1	40	-1.0	-51.52	327.55	4.92	-46.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=N1	REAL250004631436	0	34	-1.0	-38.57	285.20	5.32	-33.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=N1	REAL250004631436	1	34	-1.0	-38.55	285.16	5.31	-33.24
CCC(C)=C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631437	0	41	-1.0	-46.46	319.18	5.56	-40.90
CCC(C)=C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631437	1	41	-1.0	-46.43	319.24	5.57	-40.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCO	REAL250004631438	0	38	-1.0	-44.85	301.96	1.43	-43.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCO	REAL250004631438	1	38	-1.0	-44.82	302.01	1.44	-43.38
CC1=NSC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631439	0	34	-1.0	-34.01	284.39	3.68	-30.33
CC1=NSC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631439	1	34	-1.0	-34.04	284.45	3.69	-30.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCS1	REAL250004631440	0	39	-1.0	-47.55	311.63	5.54	-42.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCS1	REAL250004631440	1	39	-1.0	-47.53	311.69	5.56	-41.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)COC1	REAL250004631441	0	36	-1.0	-42.21	278.12	1.93	-40.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)COC1	REAL250004631441	1	36	-1.0	-42.24	278.18	1.94	-40.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(=O)NC1CC1	REAL250004631442	0	39	-1.0	-55.11	318.23	4.05	-51.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(=O)NC1CC1	REAL250004631442	1	39	-1.0	-55.03	318.29	4.06	-50.97
C#CCNC(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631443	0	37	-1.0	-54.93	310.95	3.59	-51.34
C#CCNC(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631443	1	37	-1.0	-54.93	311.00	3.61	-51.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC1C	REAL250004631444	0	41	-1.0	-43.77	306.91	5.56	-38.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC1C	REAL250004631444	1	41	-1.0	-43.77	306.97	5.57	-38.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOC1C	REAL250004631445	0	39	-1.0	-45.44	301.53	3.37	-42.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOC1C	REAL250004631445	1	39	-1.0	-45.44	301.59	3.38	-42.06
CCC(C)CCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631446	0	49	-1.0	-43.77	372.33	7.60	-36.17
CCC(C)CCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631446	1	49	-1.0	-43.79	372.39	7.61	-36.18
COCCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631447	0	42	-1.0	-49.49	337.33	3.45	-46.04
COCCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631447	1	42	-1.0	-49.49	337.39	3.46	-46.03
CCCCCC(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631448	0	49	-1.0	-45.15	372.54	7.41	-37.74
CCCCCC(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631448	1	49	-1.0	-45.19	372.60	7.43	-37.76
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCOCC1	REAL250004631449	0	45	-1.0	-36.63	305.60	4.16	-32.47
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCOCC1	REAL250004631449	1	45	-1.0	-36.65	305.66	4.17	-32.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C(F)F)C=C1	REAL250004631450	0	35	-1.0	-48.33	301.81	4.04	-44.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C(F)F)C=C1	REAL250004631450	1	35	-1.0	-48.34	301.75	4.02	-44.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC=CO1	REAL250004631451	0	37	-1.0	-40.37	294.79	4.89	-35.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC=CO1	REAL250004631451	1	37	-1.0	-40.37	294.86	4.89	-35.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC(C)(C)C	REAL250004631452	0	41	-1.0	-47.62	316.47	4.70	-42.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC(C)(C)C	REAL250004631452	1	41	-1.0	-47.63	316.52	4.72	-42.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(C#N)=C1	REAL250004631453	0	34	-1.0	-35.79	288.69	3.54	-32.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(C#N)=C1	REAL250004631453	1	34	-1.0	-35.77	288.76	3.56	-32.21
COCCCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631454	0	44	-1.0	-44.78	335.00	3.95	-40.83
COCCCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631454	1	44	-1.0	-44.78	335.05	3.97	-40.81
CCC1=CC=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631455	0	40	-1.0	-42.13	317.37	6.67	-35.46
CCC1=CC=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631455	1	40	-1.0	-42.14	317.43	6.67	-35.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=C1CCSCC1	REAL250004631456	0	40	-1.0	-43.36	322.54	6.16	-37.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=C1CCSCC1	REAL250004631456	1	40	-1.0	-43.38	322.59	6.18	-37.20
CCCC(CCC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631457	0	49	-1.0	-45.26	361.68	7.27	-37.99
CCCC(CCC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631457	1	49	-1.0	-45.29	361.74	7.29	-38.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(F)(F)F	REAL250004631458	0	37	-1.0	-46.65	308.67	5.15	-41.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(F)(F)F	REAL250004631458	1	37	-1.0	-46.62	308.72	5.17	-41.45
CCCC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)CCC	REAL250004631459	0	47	-1.0	-43.26	360.40	7.50	-35.76
CCCC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)CCC	REAL250004631459	1	47	-1.0	-43.26	360.46	7.51	-35.75
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1O	REAL250004631460	0	39	-1.0	-46.97	309.81	2.92	-44.05
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1O	REAL250004631460	1	39	-1.0	-46.96	309.86	2.93	-44.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C=CNC2=N1	REAL250004631461	0	38	-1.0	-48.69	309.51	5.99	-42.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C=CNC2=N1	REAL250004631461	1	38	-1.0	-48.69	309.57	6.01	-42.68
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)NC=C1	REAL250004631462	0	38	-1.0	-58.25	311.93	2.92	-55.33
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)NC=C1	REAL250004631462	1	38	-1.0	-58.21	311.99	2.93	-55.28
CC1=CC(O)=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631463	0	39	-1.0	-46.67	313.21	2.83	-43.84
CC1=CC(O)=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631463	1	39	-1.0	-46.67	313.27	2.85	-43.82
CSC(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631464	0	41	-1.0	-45.51	333.02	5.86	-39.65
CSC(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631464	1	41	-1.0	-45.52	333.07	5.88	-39.64
C#CCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631465	0	39	-1.0	-44.69	317.81	6.07	-38.62
C#CCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631465	1	39	-1.0	-44.68	317.87	6.08	-38.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C=CC=NN21	REAL250004631466	0	38	-1.0	-46.36	308.95	5.14	-41.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C=CC=NN21	REAL250004631466	1	38	-1.0	-46.31	308.90	5.14	-41.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(O)C=C1F	REAL250004631467	0	36	-1.0	-38.26	291.20	2.13	-36.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(O)C=C1F	REAL250004631467	1	36	-1.0	-38.27	291.25	2.14	-36.13
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631468	0	39	-1.0	-49.64	307.33	3.32	-46.32
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631468	1	39	-1.0	-49.63	307.39	3.34	-46.29
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C)=N1	REAL250004631469	0	39	-1.0	-41.59	313.77	3.69	-37.90
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C)=N1	REAL250004631469	1	39	-1.0	-41.63	313.82	3.71	-37.92
CCC1=NN(C)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631470	0	41	-1.0	-37.88	325.80	4.45	-33.43
CCC1=NN(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631470	1	41	-1.0	-37.90	325.85	4.46	-33.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CCC2)N1	REAL250004631471	0	40	-1.0	-38.69	311.68	6.23	-32.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CCC2)N1	REAL250004631471	1	40	-1.0	-38.69	311.72	6.23	-32.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(Cl)Cl	REAL250004631472	0	31	-1.0	-40.85	265.55	3.79	-37.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(Cl)Cl	REAL250004631472	1	31	-1.0	-40.88	265.61	3.81	-37.07
COCC(=O)N(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631473	0	42	-1.0	-59.26	341.16	3.51	-55.75
COCC(=O)N(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631473	1	42	-1.0	-59.31	341.21	3.52	-55.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCSC1	REAL250004631474	0	37	-1.0	-41.99	292.15	1.62	-40.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCSC1	REAL250004631474	1	37	-1.0	-41.98	292.21	1.63	-40.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1SCCS1	REAL250004631475	0	34	-1.0	-45.30	292.76	4.76	-40.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1SCCS1	REAL250004631475	1	34	-1.0	-45.30	292.82	4.77	-40.53
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N=N1	REAL250004631476	0	39	-1.0	-41.63	319.17	3.84	-37.79
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N=N1	REAL250004631476	1	39	-1.0	-41.61	319.22	3.85	-37.76
CCOC(=O)C(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631477	0	43	-1.0	-42.47	328.51	6.27	-36.20
CCOC(=O)C(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631477	1	43	-1.0	-42.47	328.55	6.29	-36.18
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CC1=CN=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631478	1	37	-1.0	-45.36	317.32	4.21	-41.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC(C)(C)C1	REAL250004631479	0	47	-1.0	-45.07	337.30	6.19	-38.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(C)(C)C1	REAL250004631479	1	47	-1.0	-45.07	337.36	6.21	-38.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=N1	REAL250004631480	0	34	-1.0	-44.42	285.33	4.82	-39.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=N1	REAL250004631480	1	34	-1.0	-44.41	285.27	4.81	-39.60
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(=O)N1	REAL250004631481	0	38	-1.0	-38.64	307.05	2.73	-35.91
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(=O)N1	REAL250004631481	1	38	-1.0	-38.67	307.20	2.73	-35.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1C=NC=N1	REAL250004631482	0	37	-1.0	-44.26	301.44	5.26	-39.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1C=NC=N1	REAL250004631482	1	37	-1.0	-44.24	301.38	5.24	-39.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCO1	REAL250004631483	0	36	-1.0	-40.90	283.10	3.87	-37.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCO1	REAL250004631483	1	36	-1.0	-40.89	283.16	3.87	-37.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCCO1	REAL250004631484	0	36	-1.0	-46.83	284.11	3.76	-43.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCCO1	REAL250004631484	1	36	-1.0	-46.84	284.16	3.77	-43.07
COC(=O)N[C@@H](C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631485	0	39	-1.0	-36.70	313.29	1.28	-35.42
COC(=O)N[C@@H](C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631485	1	39	-1.0	-36.72	313.35	1.28	-35.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CC#N)C=C1	REAL250004631486	0	39	-1.0	-45.57	323.68	6.50	-39.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CC#N)C=C1	REAL250004631486	1	39	-1.0	-45.57	323.76	6.50	-39.07
C#CCOCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631487	0	37	-1.0	-43.63	308.85	3.80	-39.83
C#CCOCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631487	1	37	-1.0	-43.62	308.91	3.82	-39.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1CCCC1	REAL250004631488	0	47	-1.0	-45.50	325.71	5.95	-39.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1CCCC1	REAL250004631488	1	47	-1.0	-45.48	325.77	5.96	-39.52
C=C(C)C(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)OCC	REAL250004631489	0	45	-1.0	-44.94	354.55	6.06	-38.88
C=C(C)C(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)OCC	REAL250004631489	1	45	-1.0	-44.90	354.61	6.07	-38.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(O)C1CC1	REAL250004631490	0	42	-1.0	-45.88	322.58	3.72	-42.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(O)C1CC1	REAL250004631490	1	42	-1.0	-45.85	322.64	3.74	-42.11
CCC(CC)C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631491	0	46	-1.0	-36.36	329.88	6.42	-29.94
CCC(CC)C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631491	1	46	-1.0	-36.36	329.94	6.42	-29.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOC(C)C1	REAL250004631492	0	42	-1.0	-44.86	314.51	3.94	-40.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOC(C)C1	REAL250004631492	1	42	-1.0	-44.90	314.57	3.95	-40.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)C1	REAL250004631493	0	41	-1.0	-44.40	311.29	5.68	-38.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)C1	REAL250004631493	1	41	-1.0	-44.38	311.35	5.70	-38.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(O)C(F)=C1	REAL250004631494	0	36	-1.0	-47.91	295.97	2.25	-45.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(O)C(F)=C1	REAL250004631494	1	36	-1.0	-47.90	296.02	2.27	-45.63
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCCC1	REAL250004631495	0	47	-1.0	-36.42	313.17	6.25	-30.17
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCCC1	REAL250004631495	1	47	-1.0	-36.45	313.26	6.26	-30.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CN=C1	REAL250004631496	0	33	-1.0	-42.03	270.47	3.01	-39.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CN=C1	REAL250004631496	1	33	-1.0	-42.06	270.41	2.99	-39.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CC=C1O	REAL250004631497	0	35	-1.0	-49.82	289.21	3.41	-46.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=C1O	REAL250004631497	1	35	-1.0	-49.84	289.27	3.42	-46.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CCOC2	REAL250004631498	0	40	-1.0	-44.39	312.80	3.94	-40.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CCOC2	REAL250004631498	1	40	-1.0	-44.42	312.86	3.95	-40.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(N)N(C)N=C1	REAL250004631499	0	37	-1.0	-43.05	288.80	2.08	-40.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(N)N(C)N=C1	REAL250004631499	1	37	-1.0	-43.05	288.75	2.09	-40.96
CCCC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004631500	0	40	-1.0	-44.05	327.47	3.84	-40.21
CCCC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004631500	1	40	-1.0	-44.06	327.53	3.85	-40.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCOCC1	REAL250004631501	0	37	-1.0	-44.99	295.33	3.24	-41.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCOCC1	REAL250004631501	1	37	-1.0	-44.97	295.39	3.25	-41.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C2CC2)=N1	REAL250004631502	0	38	-1.0	-42.58	310.11	4.35	-38.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C2CC2)=N1	REAL250004631502	1	38	-1.0	-42.53	310.17	4.34	-38.19
CCC(C)(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631503	0	43	-1.0	-46.04	300.62	4.59	-41.45
CCC(C)(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631503	1	43	-1.0	-46.01	300.68	4.60	-41.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(=O)N1	REAL250004631504	0	32	-1.0	-39.10	284.60	1.61	-37.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(=O)N1	REAL250004631504	1	32	-1.0	-39.13	284.66	1.62	-37.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)C(C)(C)O	REAL250004631505	0	38	-1.0	-45.06	302.40	2.50	-42.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)C(C)(C)O	REAL250004631505	1	38	-1.0	-45.10	302.45	2.51	-42.59
CC1=CN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(O)=C1	REAL250004631506	0	38	-1.0	-42.03	309.13	4.42	-37.61
CC1=CN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(O)=C1	REAL250004631506	1	38	-1.0	-42.02	309.18	4.42	-37.60
COC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631507	0	38	-1.0	-45.79	307.18	4.48	-41.31
COC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631507	1	38	-1.0	-45.79	307.24	4.49	-41.30
CC#CCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631508	0	39	-1.0	-46.93	321.15	6.35	-40.58
CC#CCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631508	1	39	-1.0	-46.95	321.20	6.36	-40.59
C#CCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631509	0	39	-1.0	-37.88	298.60	5.45	-32.43
C#CCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631509	1	39	-1.0	-37.83	298.65	5.46	-32.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCOC1	REAL250004631510	0	39	-1.0	-38.65	290.03	3.01	-35.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCOC1	REAL250004631510	1	39	-1.0	-38.66	290.08	3.02	-35.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CCC(C)(C)C	REAL250004631511	0	49	-1.0	-45.11	356.55	6.57	-38.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CCC(C)(C)C	REAL250004631511	1	49	-1.0	-45.11	356.61	6.59	-38.52
COCCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631512	0	44	-1.0	-47.71	320.57	3.32	-44.39
COCCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631512	1	44	-1.0	-47.73	320.62	3.34	-44.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C=CCCC1	REAL250004631513	0	39	-1.0	-45.03	300.21	5.51	-39.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C=CCCC1	REAL250004631513	1	39	-1.0	-44.97	300.27	5.52	-39.45
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631514	0	39	-1.0	-44.40	297.28	3.71	-40.69
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631514	1	39	-1.0	-44.41	297.34	3.73	-40.68
COC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631515	0	35	-1.0	-38.41	293.92	1.09	-37.32
COC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631515	1	35	-1.0	-38.39	293.86	1.08	-37.31
CCOC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004631516	0	38	-1.0	-43.35	316.58	2.59	-40.76
CCOC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004631516	1	38	-1.0	-43.33	316.52	2.59	-40.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C(N)=O)=C1	REAL250004631517	0	36	-1.0	-38.13	301.81	0.37	-37.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C(N)=O)=C1	REAL250004631517	1	36	-1.0	-38.12	301.85	0.38	-37.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC(O)=C1	REAL250004631518	0	39	-1.0	-46.55	321.59	3.45	-43.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC(O)=C1	REAL250004631518	1	39	-1.0	-46.60	321.64	3.47	-43.13
CCNC(=O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631519	0	38	-1.0	-55.90	305.17	3.09	-52.81
CCNC(=O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631519	1	38	-1.0	-55.88	305.23	3.11	-52.77
CNC(=O)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631520	0	41	-1.0	-56.63	328.65	2.32	-54.31
CNC(=O)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631520	1	41	-1.0	-56.62	328.71	2.33	-54.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCCCC1	REAL250004631521	0	47	-1.0	-44.59	315.55	5.40	-39.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCCCC1	REAL250004631521	1	47	-1.0	-44.58	315.60	5.41	-39.17
CCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1C	REAL250004631522	0	41	-1.0	-45.19	324.90	5.37	-39.82
CCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1C	REAL250004631522	1	41	-1.0	-45.19	324.96	5.38	-39.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCOC1	REAL250004631523	0	42	-1.0	-49.70	300.39	3.19	-46.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCOC1	REAL250004631523	1	42	-1.0	-49.69	300.45	3.21	-46.48
C#CCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631524	0	42	-1.0	-45.97	342.32	6.95	-39.02
C#CCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631524	1	42	-1.0	-46.01	342.37	6.97	-39.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCC1	REAL250004631525	0	36	-1.0	-37.53	280.56	1.89	-35.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCC1	REAL250004631525	1	36	-1.0	-37.56	280.63	1.89	-35.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)CC(C)C1	REAL250004631526	0	47	-1.0	-44.36	343.04	6.54	-37.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)CC(C)C1	REAL250004631526	1	47	-1.0	-44.35	343.10	6.55	-37.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)(C)C1	REAL250004631527	0	44	-1.0	-44.49	331.52	6.25	-38.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)(C)C1	REAL250004631527	1	44	-1.0	-44.52	331.58	6.26	-38.26
CCCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631528	0	41	-1.0	-45.63	324.29	4.36	-41.27
CCCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631528	1	41	-1.0	-45.59	324.24	4.35	-41.24
COC(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631529	0	41	-1.0	-45.99	322.25	3.83	-42.16
COC(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631529	1	41	-1.0	-46.00	322.30	3.85	-42.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](C)C1=CC=CC=C1	REAL250004631530	0	41	-1.0	-45.35	323.37	6.62	-38.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](C)C1=CC=CC=C1	REAL250004631530	1	41	-1.0	-45.33	323.43	6.64	-38.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)C1=CC=CC=C1	REAL250004631531	0	41	-1.0	-39.19	320.67	6.95	-32.24
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CCC(C)C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631533	1	43	-1.0	-44.33	319.21	5.59	-38.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCOC(C)C	REAL250004631534	0	44	-1.0	-46.11	347.84	4.87	-41.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCOC(C)C	REAL250004631534	1	44	-1.0	-46.11	347.90	4.89	-41.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC(=O)N1C	REAL250004631535	0	39	-1.0	-48.88	303.94	3.05	-45.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC(=O)N1C	REAL250004631535	1	39	-1.0	-48.90	304.00	3.07	-45.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NCC(F)F	REAL250004631536	0	35	-1.0	-43.11	295.81	1.45	-41.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NCC(F)F	REAL250004631536	1	35	-1.0	-43.09	295.87	1.47	-41.62
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=CC=CC=C2C1	REAL250004631538	0	42	-1.0	-44.39	322.95	6.96	-37.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=CC=CC=C2C1	REAL250004631538	1	42	-1.0	-44.38	323.01	6.97	-37.41
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCOC1C	REAL250004631540	0	42	-1.0	-47.81	313.82	4.96	-42.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCOC1C	REAL250004631540	1	42	-1.0	-47.77	313.87	4.98	-42.79
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCO1	REAL250004631541	0	43	-1.0	-37.68	317.31	4.99	-32.69
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCO1	REAL250004631541	1	43	-1.0	-37.71	317.36	4.99	-32.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNN=C1[N+](=O)[O-]	REAL250004631542	0	34	-1.0	-47.86	295.81	4.32	-43.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNN=C1[N+](=O)[O-]	REAL250004631542	1	34	-1.0	-47.86	295.87	4.33	-43.53
CC(=O)OC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631543	0	38	-1.0	-48.49	310.75	4.93	-43.56
CC(=O)OC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631543	1	38	-1.0	-48.47	310.81	4.94	-43.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)N(C)C)CC1	REAL250004631544	0	42	-1.0	-42.54	327.86	3.60	-38.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)N(C)C)CC1	REAL250004631544	1	42	-1.0	-42.60	327.91	3.61	-38.99
CC(=O)CC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631545	0	43	-1.0	-44.58	320.26	6.59	-37.99
CC(=O)CC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631545	1	43	-1.0	-44.63	320.32	6.60	-38.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CC=N1	REAL250004631546	0	40	-1.0	-44.09	324.37	5.28	-38.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CC=N1	REAL250004631546	1	40	-1.0	-44.10	324.43	5.29	-38.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CS1	REAL250004631547	0	32	-1.0	-44.75	280.29	4.31	-40.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CS1	REAL250004631547	1	32	-1.0	-44.75	280.35	4.32	-40.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C)CC1	REAL250004631548	0	38	-1.0	-43.74	294.06	5.09	-38.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C)CC1	REAL250004631548	1	38	-1.0	-43.75	294.12	5.11	-38.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=NC=N1	REAL250004631549	0	39	-1.0	-45.43	318.11	5.03	-40.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=NC=N1	REAL250004631549	1	39	-1.0	-45.46	318.17	5.05	-40.41
CCC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631551	0	40	-1.0	-43.45	307.00	5.35	-38.10
CCC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631551	1	40	-1.0	-43.47	307.05	5.37	-38.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(F)F	REAL250004631552	0	34	-1.0	-50.17	279.48	4.18	-45.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(F)F	REAL250004631552	1	34	-1.0	-50.15	279.54	4.19	-45.96
CCC(C(=O)OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631553	0	40	-1.0	-46.91	321.79	4.47	-42.44
CCC(C(=O)OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631553	1	40	-1.0	-46.92	321.85	4.49	-42.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCCC1	REAL250004631554	0	44	-1.0	-44.70	303.90	5.85	-38.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCCC1	REAL250004631554	1	44	-1.0	-44.71	303.95	5.87	-38.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(Cl)=N1	REAL250004631555	0	33	-1.0	-37.44	290.55	3.76	-33.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(Cl)=N1	REAL250004631555	1	33	-1.0	-37.49	290.49	3.77	-33.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(Cl)=C1	REAL250004631556	0	32	-1.0	-34.73	289.07	5.03	-29.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(Cl)=C1	REAL250004631556	1	32	-1.0	-34.71	289.13	5.03	-29.68
COC1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631557	0	45	-1.0	-46.40	330.07	4.28	-42.12
COC1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631557	1	45	-1.0	-46.44	330.13	4.30	-42.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC=C(F)C1=O	REAL250004631558	0	35	-1.0	-58.55	301.02	3.24	-55.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC=C(F)C1=O	REAL250004631558	1	35	-1.0	-58.58	301.08	3.25	-55.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=CN=N1	REAL250004631559	0	37	-1.0	-42.82	306.81	3.07	-39.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=CN=N1	REAL250004631559	1	37	-1.0	-42.84	306.75	3.05	-39.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1OCCCO1	REAL250004631560	0	40	-1.0	-46.45	314.12	3.75	-42.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1OCCCO1	REAL250004631560	1	40	-1.0	-46.49	314.18	3.77	-42.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1OCCO1	REAL250004631561	0	37	-1.0	-45.97	295.98	2.58	-43.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1OCCO1	REAL250004631561	1	37	-1.0	-46.00	296.03	2.59	-43.41
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(C)C)N=C1	REAL250004631564	0	41	-1.0	-40.87	323.19	4.57	-36.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(C)C)N=C1	REAL250004631564	1	41	-1.0	-40.86	323.14	4.55	-36.31
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CN1	REAL250004631566	0	37	-1.0	-46.99	302.60	4.57	-42.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CN1	REAL250004631566	1	37	-1.0	-46.98	302.65	4.59	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(F)=C1F	REAL250004631567	0	34	-1.0	-33.06	285.83	3.45	-29.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(F)=C1F	REAL250004631567	1	34	-1.0	-33.07	285.76	3.44	-29.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CNC=N1	REAL250004631568	0	38	-1.0	-49.60	308.26	4.55	-45.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CNC=N1	REAL250004631568	1	38	-1.0	-49.61	308.31	4.56	-45.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CN1	REAL250004631568	1	38	-1.0	-46.54	311.33	4.63	-41.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CNC=N1	REAL250004631569	0	36	-1.0	-50.58	303.14	4.61	-45.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CNC=N1	REAL250004631569	1	36	-1.0	-50.61	303.20	4.63	-45.98
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CC(=O)N1CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631571	0	39	-1.0	-48.32	314.93	3.02	-45.30
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NCC1CC1	REAL250004631572	0	39	-1.0	-39.61	314.60	2.68	-36.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NCC1CC1	REAL250004631572	1	39	-1.0	-39.59	314.65	2.70	-36.89
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CC[C@H]1CC[C@H](C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631574	0	47	-1.0	-37.96	350.43	7.00	-30.96
CC[C@H]1CC[C@H](C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631574	1	47	-1.0	-37.95	350.50	7.01	-30.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCCC1	REAL250004631575	0	39	-1.0	-46.87	291.08	5.19	-41.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCCC1	REAL250004631575	1	39	-1.0	-46.90	291.14	5.21	-41.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1(C)C(C)C	REAL250004631576	0	44	-1.0	-44.28	325.20	6.02	-38.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1(C)C(C)C	REAL250004631576	1	44	-1.0	-44.26	325.26	6.03	-38.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=COC=C1	REAL250004631577	0	35	-1.0	-44.84	289.51	4.20	-40.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=COC=C1	REAL250004631577	1	35	-1.0	-44.84	289.56	4.22	-40.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CS1	REAL250004631578	0	34	-1.0	-46.27	292.39	3.49	-42.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CS1	REAL250004631578	1	34	-1.0	-46.25	292.34	3.47	-42.78
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CNC(=O)CCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631580	0	44	-1.0	-47.93	350.15	3.10	-44.83
CNC(=O)CCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631580	1	44	-1.0	-47.89	350.21	3.11	-44.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C(C)C	REAL250004631581	0	43	-1.0	-38.09	301.86	5.35	-32.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C(C)C	REAL250004631581	1	43	-1.0	-38.17	301.90	5.36	-32.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1CCCCC1	REAL250004631582	0	45	-1.0	-44.89	333.26	4.34	-40.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1CCCCC1	REAL250004631582	1	45	-1.0	-44.95	333.31	4.36	-40.59
CC1=NNN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631583	0	34	-1.0	-38.34	279.48	1.97	-36.37
CC1=NNN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631583	1	34	-1.0	-38.34	279.54	1.99	-36.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC(C)C1	REAL250004631584	0	39	-1.0	-44.12	301.64	3.20	-40.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC(C)C1	REAL250004631584	1	39	-1.0	-44.07	301.70	3.21	-40.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CN1C	REAL250004631585	0	41	-1.0	-44.58	331.73	6.21	-38.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN=CN1C	REAL250004631585	1	41	-1.0	-44.56	331.79	6.23	-38.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)C(C)C	REAL250004631586	0	37	-1.0	-38.93	294.32	4.64	-34.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)C(C)C	REAL250004631586	1	37	-1.0	-38.97	294.38	4.66	-34.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1NC(=O)OC1C	REAL250004631587	0	37	-1.0	-48.63	294.59	0.66	-47.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1NC(=O)OC1C	REAL250004631587	1	37	-1.0	-48.58	294.64	0.67	-47.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CO	REAL250004631588	0	38	-1.0	-38.21	284.43	1.24	-36.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CO	REAL250004631588	1	38	-1.0	-38.23	284.47	1.25	-36.98
CCN1N=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631589	0	38	-1.0	-43.51	298.38	3.73	-39.78
CCN1N=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631589	1	38	-1.0	-43.51	298.32	3.72	-39.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCCCC1	REAL250004631590	0	42	-1.0	-46.33	309.99	5.73	-40.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCCCC1	REAL250004631590	1	42	-1.0	-46.36	310.05	5.74	-40.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(O)C=CC=C1F	REAL250004631591	1	36	-1.0	-39.73	303.60	3.37	-36.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(O)C=CC=C1F	REAL250004631591	1	36	-1.0	-39.77	303.67	3.38	-36.39
CC1=CN=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631592	0	40	-1.0	-45.89	323.88	5.06	-40.83
CC1=CN=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631592	1	40	-1.0	-45.88	323.93	5.08	-40.80
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N(C)C=C1	REAL250004631593	0	39	-1.0	-44.47	315.82	5.52	-38.95
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N(C)C=C1	REAL250004631593	1	39	-1.0	-44.41	315.87	5.54	-38.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(O)C(C)C	REAL250004631594	0	41	-1.0	-42.13	299.82	2.01	-40.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(O)C(C)C	REAL250004631594	1	41	-1.0	-42.14	299.89	2.02	-40.12
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004631595	0	41	-1.0	-47.16	311.13	4.27	-42.89
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004631595	1	41	-1.0	-47.11	311.19	4.29	-42.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C)C1=O	REAL250004631596	0	39	-1.0	-50.25	306.64	3.00	-47.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C)C1=O	REAL250004631596	1	39	-1.0	-50.23	306.70	3.02	-47.21
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCCC1	REAL250004631597	0	45	-1.0	-42.98	318.35	4.55	-38.43
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCCC1	REAL250004631597	1	45	-1.0	-42.95	318.41	4.56	-38.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC1(C)C	REAL250004631598	0	44	-1.0	-44.22	315.92	5.83	-38.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC1(C)C	REAL250004631598	1	44	-1.0	-44.24	315.97	5.85	-38.39
CCOC1CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631599	0	45	-1.0	-46.98	351.71	5.27	-41.71
CCOC1CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631599	1	45	-1.0	-46.97	351.77	5.29	-41.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(O)=C1O	REAL250004631600	0	37	-1.0	-39.27	299.80	1.15	-38.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(O)=C1O	REAL250004631600	1	37	-1.0	-39.27	299.87	1.15	-38.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCOCC1	REAL250004631601	0	40	-1.0	-45.83	299.54	1.37	-44.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCOCC1	REAL250004631601	1	40	-1.0	-45.80	299.60	1.39	-44.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CN1C	REAL250004631602	0	38	-1.0	-47.50	310.34	5.38	-42.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CN1C	REAL250004631602	1	38	-1.0	-47.48	310.40	5.40	-42.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CNC(=O)C1	REAL250004631603	0	39	-1.0	-41.49	295.97	0.99	-40.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CNC(=O)C1	REAL250004631603	1	39	-1.0	-41.49	296.03	1.02	-40.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)O	REAL250004631604	0	41	-1.0	-43.31	320.43	2.12	-41.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)O	REAL250004631604	1	41	-1.0	-43.29	320.49	2.14	-41.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=NN1C	REAL250004631605	0	41	-1.0	-44.05	332.22	4.65	-39.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=NN1C	REAL250004631605	1	41	-1.0	-44.08	332.27	4.67	-39.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCCC1	REAL250004631606	0	38	-1.0	-44.79	288.87	4.73	-40.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCCC1	REAL250004631606	1	38	-1.0	-44.78	288.93	4.73	-40.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC=N1	REAL250004631607	0	33	-1.0	-39.34	273.99	5.09	-34.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC=N1	REAL250004631607	1	33	-1.0	-39.33	273.94	5.08	-34.25
CC1=CN=CC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631608	0	40	-1.0	-45.58	322.61	5.01	-40.57
CC1=CN=CC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631608	1	40	-1.0	-45.58	322.66	5.02	-40.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1C=CCCC1	REAL250004631609	0	42	-1.0	-44.36	321.24	6.46	-37.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C=CCCC1	REAL250004631609	1	42	-1.0	-44.34	321.29	6.47	-37.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC1C	REAL250004631610	0	44	-1.0	-43.62	332.30	6.49	-37.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC1C	REAL250004631610	1	44	-1.0	-43.60	332.36	6.51	-37.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)N1C	REAL250004631611	0	39	-1.0	-49.59	310.71	3.42	-46.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)N1C	REAL250004631611	1	39	-1.0	-49.66	310.77	3.43	-46.23
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004631612	0	34	-1.0	-41.39	282.85	2.73	-38.66
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004631612	1	34	-1.0	-41.51	283.86	2.76	-38.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=CC=C1	REAL250004631613	0	41	-1.0	-38.74	322.09	6.99	-31.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=CC=C1	REAL250004631613	1	41	-1.0	-38.75	322.11	6.99	-31.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)NC(N)=O	REAL250004631614	0	37	-1.0	-38.66	295.39	-0.99	-39.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)NC(N)=O	REAL250004631614	1	37	-1.0	-38.74	295.44	-0.97	-39.71
CC(=O)OC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631615	0	40	-1.0	-45.31	300.98	4.63	-40.68
CC(=O)OC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631615	1	40	-1.0	-45.32	301.04	4.65	-40.67
CC1=CC(C)=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631616	0	40	-1.0	-42.78	321.02	6.51	-36.27
CC1=CC(C)=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631616	1	40	-1.0	-42.82	321.07	6.51	-36.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(F)C1	REAL250004631617	0	38	-1.0	-39.64	297.89	5.51	-34.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(F)C1	REAL250004631617	1	38	-1.0	-39.64	297.95	5.51	-34.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1=CN(C)N=C1	REAL250004631618	0	39	-1.0	-47.19	305.63	0.95	-46.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1=CN(C)N=C1	REAL250004631618	1	39	-1.0	-47.18	305.57	0.94	-46.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2CC2)=NO1	REAL250004631619	0	38	-1.0	-40.27	313.03	5.17	-35.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2CC2)=NO1	REAL250004631619	1	38	-1.0	-40.22	313.09	5.18	-35.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCCC(=O)N1	REAL250004631620	0	39	-1.0	-45.85	306.36	1.99	-43.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCCC(=O)N1	REAL250004631620	1	39	-1.0	-45.86	306.41	2.01	-43.85
CC1=C(C#N)C=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631621	0	39	-1.0	-43.20	325.83	6.28	-36.92
CC1=C(C#N)C=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631621	1	39	-1.0	-43.24	325.88	6.29	-36.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCC1	REAL250004631622	0	35	-1.0	-43.98	277.15	4.42	-39.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCC1	REAL250004631622	1	35	-1.0	-43.96	277.20	4.43	-39.53
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C#N	REAL250004631623	0	39	-1.0	-43.01	320.79	5.91	-37.10
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C#N	REAL250004631623	1	39	-1.0	-43.01	320.85	5.92	-37.09
CCOCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631624	0	42	-1.0	-52.38	329.56	4.42	-47.96
CCOCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631624	1	42	-1.0	-52.32	329.62	4.43	-47.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1OC(C)CC1C	REAL250004631625	0	42	-1.0	-49.21	321.96	4.25	-44.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1OC(C)CC1C	REAL250004631625	1	42	-1.0	-49.19	322.03	4.27	-44.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=CSC=C1	REAL250004631626	0	36	-1.0	-46.52	310.29	5.20	-41.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=CSC=C1	REAL250004631626	1	36	-1.0	-46.52	310.35	5.22	-41.30
CCC1CCCCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631627	0	47	-1.0	-37.93	340.36	6.89	-31.04
CCC1CCCCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631627	1	47	-1.0	-37.96	340.43	6.90	-31.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCC(C)CC1	REAL250004631628	0	45	-1.0	-41.71	331.63	3.30	-38.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCC(C)CC1	REAL250004631628	1	45	-1.0	-41.67	331.69	3.31	-38.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CON=C1C1CC1	REAL250004631629	0	38	-1.0	-44.85	310.39	4.87	-39.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CON=C1C1CC1	REAL250004631629	1	38	-1.0	-44.84	310.45	4.88	-39.96
CCCC(C)(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631630	0	46	-1.0	-46.86	324.21	5.50	-41.36
CCCC(C)(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631630	1	46	-1.0	-46.84	324.27	5.52	-41.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=N1	REAL250004631631	0	34	-1.0	-38.57	285.20	5.32	-33.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=N1	REAL250004631631	1	34	-1.0	-38.55	285.16	5.31	-33.24
CSCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631632	0	41	-1.0	-37.34	314.92	5.43	-31.91
CSCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631632	1	41	-1.0	-37.33	314.95	5.43	-31.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN=CS1	REAL250004631633	0	35	-1.0	-45.28	306.62	4.14	-41.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN=CS1	REAL250004631633	1	35	-1.0	-45.28	306.68	4.15	-41.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@@H]1C(F)F	REAL250004631634	0	35	-1.0	-49.12	296.43	5.06	-44.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@@H]1C(F)F	REAL250004631634	1	35	-1.0	-49.12	296.48	5.08	-44.04
CCCCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631635	0	43	-1.0	-44.86	322.82	5.66	-39.20
CCCCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631635	1	43	-1.0	-44.87	322.88	5.68	-39.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC(N)=O	REAL250004631636	0	38	-1.0	-41.43	299.97	0.83	-40.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC(N)=O	REAL250004631636	1	38	-1.0	-41.43	299.97	0.83	-40.60
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C=O)N1	REAL250004631637	0	38	-1.0	-48.30	306.98	3.16	-45.14
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C(C=O)N1	REAL250004631637	1	38	-1.0	-48.31	307.04	3.17	-45.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=NN1C	REAL250004631638	0	34	-1.0	-32.89	270.63	1.04	-31.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=NN1C	REAL250004631638	1	34	-1.0	-32.86	270.56	1.03	-31.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCOCC1	REAL250004631639	0	42	-1.0	-43.43	308.09	3.90	-39.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCOCC1	REAL250004631639	1	42	-1.0	-43.38	308.14	3.91	-39.47
COC(C)(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631640	0	41	-1.0	-45.43	313.20	4.58	-40.85
COC(C)(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631640	1	41	-1.0	-45.47	313.25	4.59	-40.88
CNC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004631641	0	39	-1.0	-41.52	310.22	3.00	-38.52
CNC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004631641	1	39	-1.0	-41.54	310.26	3.01	-38.53
CC1=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)NC=N1	REAL250004631643	0	38	-1.0	-49.86	310.93	4.37	-45.49
CC1=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)NC=N1	REAL250004631643	1	38	-1.0	-49.91	310.98	4.38	-45.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CS1	REAL250004631644	0	31	-1.0	-40.35	271.19	4.02	-36.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CS1	REAL250004631644	1	31	-1.0	-40.29	271.13	4.01	-36.28
CC1=C(C)SC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631645	0	37	-1.0	-50.83	301.11	3.20	-47.63
CC1=C(C)SC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631645	1	37	-1.0	-50.82	301.16	3.22	-47.60
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C#N)O1	REAL250004631646	0	36	-1.0	-41.71	309.19	4.65	-37.06
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(C)C#N	REAL250004631647	0	38	-1.0	-39.62	300.13	4.74	-34.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(C)C#N	REAL250004631647	1	38	-1.0	-39.58	300.19	4.75	-34.83
CCC(C)(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631648	0	41	-1.0	-43.45	302.13	3.36	-40.09
CCC(C)(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631648	1	41	-1.0	-43.44	302.19	3.37	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(F)(F)C1	REAL250004631649	0	38	-1.0	-42.91	301.85	5.15	-37.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(F)(F)C1	REAL250004631649	1	38	-1.0	-42.88	301.91	5.15	-37.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)(C)O1	REAL250004631650	0	42	-1.0	-48.13	322.39	5.03	-43.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)(C)O1	REAL250004631650	1	42	-1.0	-48.11	322.44	5.04	-43.07
CCN1C=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631651	0	38	-1.0	-45.78	302.93	5.88	-39.90
CCN1C=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631651	1	38	-1.0	-45.80	302.87	5.86	-39.94
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC=C1	REAL250004631652	0	36	-1.0	-37.14	279.67	5.08	-32.06
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)NC=C1	REAL250004631652	1	36	-1.0	-37.22	279.70	5.09	-32.13
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CO1	REAL250004631653	0	38	-1.0	-38.27	300.66	5.05	-33.22
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CO1	REAL250004631653	1	38	-1.0	-38.28	300.71	5.06	-33.22
C#CC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631654	0	36	-1.0	-45.19	302.94	4.45	-40.74
C#CC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631654	1	36	-1.0	-45.24	303.00	4.46	-40.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN=C1F	REAL250004631655	0	34	-1.0	-38.00	275.45	3.10	-34.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN=C1F	REAL250004631655	1	34	-1.0	-38.03	275.28	3.14	-34.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(O)=C1	REAL250004631656	0	35	-1.0	-45.75	286.67	0.39	-45.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(O)=C1	REAL250004631656	1	35	-1.0	-45.76	286.73	0.41	-45.35
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=N1	REAL250004631657	0	37	-1.0	-36.83	296.99	4.12	-32.71
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=N1	REAL250004631657	1	37	-1.0	-36.86	296.99	4.14	-32.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NC=CN1	REAL250004631658	0	38	-1.0	-44.08	311.35	3.79	-40.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NC=CN1	REAL250004631658	1	38	-1.0	-44.07	311.40	3.81	-40.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=CC=N1	REAL250004631659	0	40	-1.0	-39.35	315.95	4.92	-34.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=CC=N1	REAL250004631659	1	40	-1.0	-39.36	316.01	4.92	-34.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NC=CC=C2N=C1	REAL250004631660	0	38	-1.0	-55.52	303.29	3.22	-52.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NC=CC=C2N=C1	REAL250004631660	1	38	-1.0	-55.53	303.24	3.21	-52.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(O)CC1	REAL250004631661	0	42	-1.0	-47.55	312.44	2.15	-45.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(O)CC1	REAL250004631661	1	42	-1.0	-47.57	312.49	2.16	-45.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CO)=C1	REAL250004631662	0	39	-1.0	-41.54	313.24	2.54	-39.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CO)=C1	REAL250004631662	1	39	-1.0	-41.53	313.27	2.54	-38.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CS1	REAL250004631663	0	31	-1.0	-46.00	258.84	2.00	-44.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CS1	REAL250004631663	1	31	-1.0	-46.00	258.78	1.99	-44.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCOC1	REAL250004631664	0	42	-1.0	-47.33	318.72	4.10	-43.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCOC1	REAL250004631664	1	42	-1.0	-47.37	318.78	4.11	-43.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CC=N1	REAL250004631665	0	39	-1.0	-45.57	320.93	3.47	-42.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN=CC=N1	REAL250004631665	1	39	-1.0	-45.59	320.99	3.48	-42.11
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CN1C	REAL250004631666	0	39	-1.0	-49.89	311.86	5.33	-44.56
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CN1C	REAL250004631666	1	39	-1.0	-49.88	311.92	5.35	-44.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(C)C)C=N1	REAL250004631667	0	41	-1.0	-48.32	330.54	7.03	-41.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(C)C)C=N1	REAL250004631667	1	41	-1.0	-48.29	330.49	7.02	-41.27
C=CC(C)(O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631668	0	39	-1.0	-46.28	304.64	3.10	-43.18
C=CC(C)(O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631668	1	39	-1.0	-46.30	304.70	3.11	-43.19
CC(=O)CSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631669	0	37	-1.0	-53.90	318.10	4.59	-49.31
CC(=O)CSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631669	1	37	-1.0	-53.90	318.16	4.60	-49.30
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SCCO1	REAL250004631670	0	38	-1.0	-39.65	303.19	4.25	-35.40
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SCCO1	REAL250004631670	1	38	-1.0	-39.61	303.24	4.26	-35.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOCC1C	REAL250004631671	0	42	-1.0	-45.16	302.28	3.57	-41.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOCC1C	REAL250004631671	1	42	-1.0	-45.21	302.34	3.58	-41.63
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NS1	REAL250004631672	0	34	-1.0	-44.80	291.73	4.51	-40.29
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NS1	REAL250004631672	1	34	-1.0	-44.79	291.79	4.53	-40.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(C)C)OC=C1	REAL250004631673	0	41	-1.0	-38.51	320.52	5.68	-32.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(C)C)OC=C1	REAL250004631673	1	41	-1.0	-38.54	320.57	5.71	-32.83
CCC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631674	0	40	-1.0	-40.05	318.56	4.76	-35.29
CCC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631674	1	40	-1.0	-40.03	318.52	4.77	-35.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C(N)=O	REAL250004631675	0	38	-1.0	-56.78	284.32	1.39	-55.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C(N)=O	REAL250004631675	1	38	-1.0	-56.73	284.38	1.40	-55.33
CSC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631676	0	39	-1.0	-36.15	305.08	5.34	-30.81
CSC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631676	1	39	-1.0	-36.13	305.13	5.35	-30.78
CC(=O)C1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631677	0	37	-1.0	-41.75	306.94	4.20	-37.55
CC(=O)C1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631677	1	37	-1.0	-41.80	306.99	4.21	-37.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCN1C1CC1	REAL250004631678	1	44	-1.0	-48.76	333.77	3.85	-44.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCN1C1CC1	REAL250004631678	1	44	-1.0	-48.76	333.82	3.86	-44.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NC=CC=C1F	REAL250004631679	0	37	-1.0	-48.08	309.13	4.40	-43.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NC=CC=C1F	REAL250004631679	1	37	-1.0	-48.08	309.19	4.41	-43.67
CC1=CC=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631680	0	36	-1.0	-51.58	297.46	4.66	-46.92
CC1=CC=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631680	1	36	-1.0	-51.61	297.51	4.68	-46.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(C)O	REAL250004631681	0	38	-1.0	-45.64	297.95	2.58	-43.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(C)O	REAL250004631681	1	38	-1.0	-45.62	298.01	2.59	-43.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCOCC(F)F	REAL250004631682	0	38	-1.0	-44.66	319.08	3.68	-40.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCOCC(F)F	REAL250004631682	1	38	-1.0	-44.72	319.14	3.70	-41.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(=O)C1C	REAL250004631683	0	43	-1.0	-43.82	332.44	5.52	-38.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(=O)C1C	REAL250004631683	1	43	-1.0	-43.81	332.49	5.53	-38.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(F)F	REAL250004631684	0	34	-1.0	-44.05	281.69	4.27	-39.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(F)F	REAL250004631684	1	34	-1.0	-44.03	281.75	4.28	-39.75
CC=C(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631685	0	38	-1.0	-46.24	286.99	4.60	-41.64
CC=C(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631685	1	38	-1.0	-46.25	287.05	4.62	-41.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CN1C	REAL250004631686	0	35	-1.0	-46.30	267.96	3.77	-42.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CN1C	REAL250004631686	1	35	-1.0	-46.31	268.02	3.79	-42.52
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004631687	0	39	-1.0	-49.03	296.08	4.51	-44.52
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631687	1	39	-1.0	-49.05	296.13	4.53	-44.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1CCCC[C@H]1O	REAL250004631688	0	45	-1.0	-47.43	337.09	3.23	-44.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1CCCC[C@H]1O	REAL250004631688	1	45	-1.0	-47.43	337.14	3.24	-44.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@H]1CCCC[C@@H]1O	REAL250004631689	0	45	-1.0	-44.91	338.36	3.21	-41.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@H]1CCCC[C@@H]1O	REAL250004631689	1	45	-1.0	-44.90	338.42	3.23	-41.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C(F)F	REAL250004631690	0	37	-1.0	-34.97	284.65	4.60	-30.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C(F)F	REAL250004631690	1	37	-1.0	-34.98	284.69	4.61	-30.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C#N)N(C)N=C1	REAL250004631691	0	36	-1.0	-44.88	310.78	3.16	-41.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C#N)N(C)N=C1	REAL250004631691	1	36	-1.0	-44.87	310.72	3.15	-41.72
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004631692	0	42	-1.0	-44.51	306.44	4.30	-40.21
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004631692	1	42	-1.0	-44.49	306.49	4.31	-40.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN(C)C=C1	REAL250004631693	0	40	-1.0	-48.86	326.23	6.39	-42.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN(C)C=C1	REAL250004631693	1	40	-1.0	-48.86	326.29	6.41	-42.45
CCC(C)C(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631694	0	44	-1.0	-47.37	330.28	4.94	-42.43
CCC(C)C(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631694	1	44	-1.0	-47.43	330.34	4.96	-42.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C(F)C=C1F	REAL250004631696	0	34	-1.0	-46.01	290.35	5.12	-40.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C(F)C=C1F	REAL250004631696	1	34	-1.0	-46.02	290.29	5.10	-40.92
COC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631697	0	37	-1.0	-37.32	298.92	2.35	-34.97
COC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631697	1	37	-1.0	-37.32	298.87	2.35	-34.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@H]1CCOC1	REAL250004631698	0	39	-1.0	-44.84	303.09	3.34	-41.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@H]1CCOC1	REAL250004631698	1	39	-1.0	-44.85	303.14	3.36	-41.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)OC=C1	REAL250004631699	0	32	-1.0	-36.51	275.65	4.07	-32.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)OC=C1	REAL250004631699	1	32	-1.0	-36.54	275.71	4.07	-32.47
CSC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004631700	0	36	-1.0	-42.39	299.45	4.75	-37.64
CSC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004631700	1	36	-1.0	-42.38	299.51	4.76	-37.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)C1=CC=CN1C	REAL250004631702	0	38	-1.0	-44.35	308.64	5.10	-39.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)C1=CC=CN1C	REAL250004631702	1	38	-1.0	-44.30	308.70	5.11	-39.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](O)C(C)C	REAL250004631703	0	38	-1.0	-43.68	287.84	2.19	-41.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](O)C(C)C	REAL250004631703	1	38	-1.0	-43.71	287.90	2.20	-41.51
CCC(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631704	0	43	-1.0	-44.25	326.33	5.94	-38.31
CCC(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631704	1	43	-1.0	-44.28	326.39	5.95	-38.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2CCCC2=CO1	REAL250004631705	0	39	-1.0	-46.72	313.32	5.76	-40.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2CCCC2=CO1	REAL250004631705	1	39	-1.0	-46.76	313.38	5.77	-40.99
CCOC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004631706	0	45	-1.0	-44.29	328.11	5.23	-39.06
CCOC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004631706	1	45	-1.0	-44.25	328.15	5.22	-39.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1=CC=CN=C1	REAL250004631707	0	38	-1.0	-36.48	301.52	2.41	-34.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1=CC=CN=C1	REAL250004631707	1	38	-1.0	-36.48	301.48	2.40	-34.08
CC1=NOC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631708	0	37	-1.0	-49.47	306.68	4.54	-44.93
CC1=NOC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631708	1	37	-1.0	-49.47	306.73	4.56	-44.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1CC1	REAL250004631709	0	36	-1.0	-44.35	281.88	2.98	-41.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1CC1	REAL250004631709	1	36	-1.0	-44.35	281.94	3.00	-41.35
CCC1OCCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631710	0	42	-1.0	-43.39	325.26	4.12	-39.27
CCC1OCCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631710	1	42	-1.0	-43.38	325.31	4.13	-39.25
COC(=O)COCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631711	0	38	-1.0	-55.21	319.62	4.16	-51.05
COC(=O)COCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631711	1	38	-1.0	-55.23	319.68	4.18	-51.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCC(C)(C)C	REAL250004631712	0	49	-1.0	-44.30	367.27	7.24	-37.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCC(C)(C)C	REAL250004631712	1	49	-1.0	-44.29	367.32	7.25	-37.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](O)C(C)C	REAL250004631713	0	38	-1.0	-39.35	289.08	2.56	-36.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](O)C(C)C	REAL250004631713	1	38	-1.0	-39.37	289.14	2.58	-36.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CN=C1F	REAL250004631714	0	34	-1.0	-51.22	287.86	3.47	-47.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CN=C1F	REAL250004631714	1	34	-1.0	-51.25	287.82	3.46	-47.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(O)C1CC1	REAL250004631715	0	39	-1.0	-35.85	289.79	2.98	-32.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(O)C1CC1	REAL250004631715	1	39	-1.0	-35.87	289.84	2.97	-32.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCOC(C)(C)C	REAL250004631716	0	47	-1.0	-46.83	358.86	5.16	-41.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCOC(C)(C)C	REAL250004631716	1	47	-1.0	-46.79	358.92	5.18	-41.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)(C)C1	REAL250004631717	0	41	-1.0	-44.53	309.60	5.46	-39.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)(C)C1	REAL250004631717	1	41	-1.0	-44.53	309.66	5.47	-39.06
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CS1	REAL250004631718	0	35	-1.0	-38.15	293.90	5.22	-32.93
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CS1	REAL250004631718	1	35	-1.0	-38.14	293.95	5.21	-32.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([N+](=O)[O-])=NN1	REAL250004631719	0	34	-1.0	-33.02	291.45	4.41	-28.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([N+](=O)[O-])=NN1	REAL250004631719	1	34	-1.0	-33.00	291.50	4.44	-28.56
CC1=COC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL250004631720	0	38	-1.0	-40.05	306.52	5.35	-34.70
CC1=COC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL250004631720	1	38	-1.0	-40.02	306.58	5.36	-34.66
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CN1	REAL250004631721	0	39	-1.0	-48.75	314.26	4.66	-44.09
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CN1	REAL250004631721	1	39	-1.0	-48.79	314.32	4.68	-44.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(C)C)NC=C1	REAL250004631722	0	42	-1.0	-41.76	319.58	5.28	-36.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(C)C)NC=C1	REAL250004631722	1	42	-1.0	-41.76	319.64	5.28	-36.48
CCC(C)(C#N)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631723	0	38	-1.0	-33.26	293.04	4.44	-28.82
CCC(C)(C#N)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631723	1	38	-1.0	-33.24	293.09	4.46	-28.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC(F)F	REAL250004631724	0	32	-1.0	-45.16	271.91	2.97	-42.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC(F)F	REAL250004631724	1	32	-1.0	-45.17	271.96	2.98	-42.19
CC1=NC=CC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631725	0	40	-1.0	-45.09	319.13	4.90	-40.19
CC1=NC=CC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631725	1	40	-1.0	-45.04	319.18	4.91	-40.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004631726	0	42	-1.0	-46.38	339.34	7.68	-38.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004631726	1	42	-1.0	-46.40	339.40	7.69	-38.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C=CS1	REAL250004631727	0	32	-1.0	-35.88	283.66	4.92	-30.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C=CS1	REAL250004631727	1	32	-1.0	-35.91	283.71	4.92	-30.99
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004631728	0	42	-1.0	-36.83	305.59	4.93	-31.90
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004631728	1	42	-1.0	-36.92	305.81	4.93	-31.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)N=C1	REAL250004631729	0	34	-1.0	-39.97	283.12	2.46	-37.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)N=C1	REAL250004631729	1	34	-1.0	-40.00	283.06	2.45	-37.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=NC=C2C=C1	REAL250004631730	0	38	-1.0	-43.14	317.48	6.86	-36.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=NC=C2C=C1	REAL250004631730	1	38	-1.0	-43.14	317.53	6.88	-36.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC(=O)N1	REAL250004631731	0	34	-1.0	-48.52	277.75	-0.29	-48.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC(=O)N1	REAL250004631731	1	34	-1.0	-48.56	277.80	-0.27	-48.83
CC1=COC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631732	0	38	-1.0	-45.27	310.45	4.85	-40.42
CC1=COC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631732	1	38	-1.0	-45.23	310.50	4.87	-40.36
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCOCC1	REAL250004631733	0	43	-1.0	-43.10	313.45	2.45	-40.65
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCOCC1	REAL250004631733	1	43	-1.0	-43.10	313.50	2.46	-40.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(C)C)C=CO1	REAL250004631734	0	41	-1.0	-46.12	323.66	5.74	-40.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(C)C)C=CO1	REAL250004631734	1	41	-1.0	-46.06	323.72	5.75	-40.31
CC1=NC=CN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631735	0	38	-1.0	-47.78	312.14	5.14	-42.64
CC1=NC=CN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631735	1	38	-1.0	-47.80	312.19	5.15	-42.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C(Cl)=C1	REAL250004631736	0	35	-1.0	-45.69	301.05	4.09	-41.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C(Cl)=C1	REAL250004631736	1	35	-1.0	-45.66	301.00	4.08	-41.58
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN=C1F	REAL250004631737	0	37	-1.0	-41.54	299.70	3.67	-37.87
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN=C1F	REAL250004631737	1	37	-1.0	-41.52	299.64	3.66	-37.86
C=CC(C)(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631738	0	36	-1.0	-41.54	280.37	1.53	-40.01
C=CC(C)(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631738	1	36	-1.0	-41.56	280.42	1.54	-40.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(N(C)C)CC1	REAL250004631739	1	40	-1.0	-35.34	298.02	2.02	-33.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(N(C)C)CC1	REAL250004631739	1	40	-1.0	-35.36	298.07	2.01	-33.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C=O)=CN1C	REAL250004631741	0	38	-1.0	-46.06	306.12	4.41	-41.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C=O)=CN1C	REAL250004631741	1	38	-1.0	-46.08	306.17	4.42	-41.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C=O)N1C	REAL250004631742	0	38	-1.0	-50.08	301.49	4.14	-45.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C=O)N1C	REAL250004631742	1	38	-1.0	-50.07	301.55	4.15	-45.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCN1C=O	REAL250004631743	0	39	-1.0	-48.83	308.01	3.22	-45.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCN1C=O	REAL250004631743	1	39	-1.0	-48.82	308.07	3.24	-45.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NNN=C1	REAL250004631744	0	37	-1.0	-44.68	302.74	2.07	-42.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NNN=C1	REAL250004631744	1	37	-1.0	-44.71	302.80	2.08	-42.63
CC1=CNN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631745	0	35	-1.0	-48.75	282.08	3.27	-45.48
CC1=CNN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631745	1	35	-1.0	-48.74	282.14	3.28	-45.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1(O)CCC1	REAL250004631746	0	42	-1.0	-44.24	328.08	2.98	-41.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1(O)CCC1	REAL250004631746	1	42	-1.0	-44.22	328.13	2.99	-41.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC=CCC1	REAL250004631747	0	42	-1.0	-37.27	297.74	5.82	-31.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC=CCC1	REAL250004631747	1	42	-1.0	-37.27	297.79	5.81	-31.46
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CS1	REAL250004631748	0	35	-1.0	-37.90	282.59	5.00	-32.90
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CS1	REAL250004631748	1	35	-1.0	-37.93	282.65	4.98	-32.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCC1	REAL250004631749	0	39	-1.0	-42.12	303.67	3.33	-38.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCC1	REAL250004631749	1	39	-1.0	-42.10	303.73	3.34	-38.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NN(C)N=C1	REAL250004631750	0	40	-1.0	-46.56	325.78	3.20	-43.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NN(C)N=C1	REAL250004631750	1	40	-1.0	-46.57	325.84	3.21	-43.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC2CC21	REAL250004631751	0	42	-1.0	-43.85	320.62	6.55	-37.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC2CC21	REAL250004631751	1	42	-1.0	-43.87	320.68	6.56	-37.31
CC1=NN=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631752	0	36	-1.0	-46.61	311.74	3.07	-43.54
CC1=NN=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631752	1	36	-1.0	-46.62	311.80	3.09	-43.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN=CN=C1	REAL250004631753	0	39	-1.0	-43.85	318.64	5.03	-38.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CN=C1	REAL250004631753	1	39	-1.0	-43.85	318.58	5.02	-38.83
CC[C@@H]1C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631754	0	38	-1.0	-45.34	298.73	5.28	-40.06
CC[C@@H]1C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631754	1	38	-1.0	-45.35	298.78	5.28	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1(F)F	REAL250004631755	0	32	-1.0	-42.01	273.74	4.26	-37.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1(F)F	REAL250004631755	1	32	-1.0	-42.02	273.79	4.28	-37.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(=O)C1CC1	REAL250004631756	0	43	-1.0	-52.32	346.09	6.32	-46.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(=O)C1CC1	REAL250004631756	1	43	-1.0	-52.34	346.15	6.34	-46.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1CCC1	REAL250004631757	0	44	-1.0	-38.97	314.02	6.01	-32.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1CCC1	REAL250004631757	1	44	-1.0	-38.96	314.08	6.00	-32.96
CCCCCC(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631758	0	44	-1.0	-42.42	341.63	4.16	-38.26
CCCCCC(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631758	1	44	-1.0	-42.39	341.68	4.18	-38.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC2=NC=CC2=C1	REAL250004631759	0	38	-1.0	-41.50	316.46	4.82	-36.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC2=NC=CC2=C1	REAL250004631759	1	38	-1.0	-41.52	316.51	4.84	-36.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2NC=CC2=C1	REAL250004631759	1	38	-1.0	-43.69	306.76	4.38	-39.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2NC=CC2=C1	REAL250004631759	1	38	-1.0	-43.70	306.81	4.39	-39.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC(F)F	REAL250004631760	0	32	-1.0	-43.89	283.78	4.08	-39.81
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CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)=C1CCC1	REAL250004631761	0	39	-1.0	-46.59	298.73	5.60	-40.99
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1=CC=CS1	REAL250004631764	1	34	-1.0	-45.22	310.04	6.14	-39.08
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CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCC(=O)N1	REAL250004631766	1	42	-1.0	-46.76	332.57	2.74	-44.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)C(C)C1	REAL250004631767	0	47	-1.0	-46.35	335.95	6.38	-39.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)C(C)C1	REAL250004631767	1	47	-1.0	-46.36	336.02	6.39	-39.97
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)N(C)N=C1	REAL250004631771	0	35	-1.0	-43.83	306.73	3.38	-40.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)N(C)N=C1	REAL250004631771	1	35	-1.0	-43.82	306.67	3.37	-40.45
CCOC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631772	0	38	-1.0	-39.38	317.40	1.96	-37.42
CCOC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631772	1	38	-1.0	-39.40	317.34	1.94	-37.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)[N+](=O)[O-]	REAL250004631773	0	42	-1.0	-49.64	330.58	5.25	-44.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)[N+](=O)[O-]	REAL250004631773	1	42	-1.0	-49.64	330.63	5.26	-44.38
CC1=CN=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631774	0	37	-1.0	-42.45	301.55	4.32	-38.13
CC1=CN=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631774	1	37	-1.0	-42.49	301.50	4.30	-38.19
COCC#CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631775	0	34	-1.0	-47.26	293.85	3.08	-44.18
COCC#CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631775	1	34	-1.0	-47.34	293.90	3.10	-44.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(=O)NC1=O	REAL250004631776	0	38	-1.0	-56.60	310.65	2.43	-54.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(=O)NC1=O	REAL250004631776	1	38	-1.0	-56.61	310.71	2.44	-54.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(N)=O)N1	REAL250004631777	0	37	-1.0	-34.61	303.63	1.12	-33.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(N)=O)N1	REAL250004631777	1	37	-1.0	-34.65	303.66	1.11	-33.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CNC2=CC=N1	REAL250004631778	0	38	-1.0	-52.20	309.62	4.92	-47.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CNC2=CC=N1	REAL250004631778	1	38	-1.0	-52.17	309.57	4.90	-47.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(C#N)=C1	REAL250004631779	0	33	-1.0	-34.62	292.76	4.92	-29.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(C#N)=C1	REAL250004631779	1	33	-1.0	-34.61	292.82	4.93	-29.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NSC=C1	REAL250004631780	0	31	-1.0	-45.50	265.04	3.86	-41.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NSC=C1	REAL250004631780	1	31	-1.0	-45.50	264.98	3.84	-41.66
CCC1CCCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631781	0	44	-1.0	-43.93	320.09	6.00	-37.93
CCC1CCCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631781	1	44	-1.0	-43.99	320.15	6.02	-37.97
C#CCOC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631782	0	37	-1.0	-50.01	302.42	4.42	-45.59
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CCC(C)=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631783	0	38	-1.0	-43.74	302.36	5.44	-38.30
CCC(C)=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631783	1	38	-1.0	-43.75	302.42	5.46	-38.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1CCOC1	REAL250004631784	0	40	-1.0	-44.63	321.12	4.05	-40.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1CCOC1	REAL250004631784	1	40	-1.0	-44.64	321.17	4.07	-40.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN2CCCC2=C1	REAL250004631785	0	39	-1.0	-51.36	308.87	4.57	-46.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN2CCCC2=C1	REAL250004631785	1	39	-1.0	-51.39	308.93	4.58	-46.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCC1C	REAL250004631786	0	44	-1.0	-36.66	305.69	5.96	-30.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCC1C	REAL250004631786	1	44	-1.0	-36.63	305.76	5.97	-30.66
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C#N)N1	REAL250004631787	0	37	-1.0	-43.37	304.57	3.88	-39.49
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C(C#N)N1	REAL250004631787	1	37	-1.0	-43.39	304.63	3.89	-39.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2CCCN2N=C1	REAL250004631788	0	39	-1.0	-47.96	315.93	4.04	-43.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2CCCN2N=C1	REAL250004631788	1	39	-1.0	-47.95	315.99	4.05	-43.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CNN=C1	REAL250004631789	0	36	-1.0	-47.65	298.23	3.19	-44.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CNN=C1	REAL250004631789	1	36	-1.0	-47.69	298.30	3.20	-44.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)NN=C1	REAL250004631790	0	34	-1.0	-44.06	290.28	1.02	-43.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)NN=C1	REAL250004631790	1	34	-1.0	-44.06	290.34	1.03	-43.03
CC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631791	0	36	-1.0	-49.95	290.01	3.79	-46.16
CC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631791	1	36	-1.0	-49.93	290.07	3.81	-46.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CNC(=O)O1	REAL250004631792	0	34	-1.0	-38.39	276.93	0.56	-37.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CNC(=O)O1	REAL250004631792	1	34	-1.0	-38.33	276.98	0.56	-37.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC[Si](C)(C)C	REAL250004631793	0	46	-1.0	-45.41	365.50	8.72	-36.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC[Si](C)(C)C	REAL250004631793	1	46	-1.0	-45.42	365.56	8.73	-36.69
CC1=NN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631794	0	33	-1.0	-43.54	284.28	2.76	-40.78
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC1CC1	REAL250004631797	0	36	-1.0	-44.81	303.91	5.43	-39.38
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CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@@H]1C1CC1	REAL250004631800	0	39	-1.0	-45.10	315.62	6.36	-38.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@@H]1C1CC1	REAL250004631800	1	39	-1.0	-45.11	315.68	6.38	-38.73
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COC1CCCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631802	0	45	-1.0	-44.21	334.45	4.52	-39.69
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CNC(=O)NCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631803	1	40	-1.0	-54.41	323.25	0.21	-54.20
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CCN1N=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631804	1	37	-1.0	-44.12	306.11	3.06	-41.06
CCOC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631805	0	39	-1.0	-41.47	315.74	1.19	-40.28
CCOC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631805	1	39	-1.0	-41.49	315.80	1.21	-40.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=CC=CC=C2C1	REAL250004631806	0	42	-1.0	-44.39	322.95	6.96	-37.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=CC=CC=C2C1	REAL250004631806	1	42	-1.0	-44.38	323.01	6.97	-37.41
CCCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004631807	0	40	-1.0	-42.14	326.14	5.98	-36.16
CCCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004631807	1	40	-1.0	-42.12	326.20	5.99	-36.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC=C1C#N	REAL250004631808	0	33	-1.0	-50.72	296.61	4.59	-46.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC=C1C#N	REAL250004631808	1	33	-1.0	-50.71	296.67	4.60	-46.11
CCC1CC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631809	0	38	-1.0	-44.10	299.26	5.57	-38.53
CCC1CC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631809	1	38	-1.0	-44.12	299.31	5.58	-38.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NC=CN1	REAL250004631810	0	35	-1.0	-53.03	286.93	3.07	-49.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NC=CN1	REAL250004631810	1	35	-1.0	-53.06	286.98	3.08	-49.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NOC=C1	REAL250004631811	0	37	-1.0	-46.81	306.07	4.43	-42.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NOC=C1	REAL250004631811	1	37	-1.0	-46.80	306.13	4.44	-42.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(C)(F)F	REAL250004631812	0	37	-1.0	-51.02	289.77	4.26	-46.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(C)(F)F	REAL250004631812	1	37	-1.0	-51.00	289.83	4.28	-46.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(O)C1CCC1	REAL250004631813	0	42	-1.0	-43.43	310.06	2.71	-40.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(O)C1CCC1	REAL250004631813	1	42	-1.0	-43.42	310.12	2.72	-40.70
CCN1N=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631814	0	37	-1.0	-42.06	284.59	1.85	-40.21
CCN1N=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631814	1	37	-1.0	-42.07	284.54	1.85	-40.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC#N	REAL250004631815	0	35	-1.0	-51.26	289.89	4.50	-46.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC#N	REAL250004631815	1	35	-1.0	-51.25	289.95	4.52	-46.73
CC1=NC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004631816	0	38	-1.0	-37.21	296.55	4.61	-32.60
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CCN1N=C(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631817	1	40	-1.0	-44.11	324.80	3.65	-40.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C=O)=CN1	REAL250004631818	0	35	-1.0	-57.13	280.58	3.43	-53.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C=O)=CN1	REAL250004631818	1	35	-1.0	-57.12	280.64	3.43	-53.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CC(O)=C1	REAL250004631819	0	38	-1.0	-47.78	316.43	1.67	-46.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CC(O)=C1	REAL250004631819	1	38	-1.0	-47.82	316.49	1.68	-46.14
COC1=CN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004631820	0	37	-1.0	-50.84	300.26	3.36	-47.48
COC1=CN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004631820	1	37	-1.0	-50.83	300.21	3.34	-47.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CCC1CC2	REAL250004631821	0	45	-1.0	-46.99	318.63	6.38	-40.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CCC1CC2	REAL250004631821	1	45	-1.0	-47.05	318.67	6.39	-40.66
COCN1C=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631822	0	39	-1.0	-42.23	320.18	2.78	-39.45
COCN1C=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631822	1	39	-1.0	-42.21	320.11	2.77	-39.44
C=CCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631823	0	41	-1.0	-38.47	304.34	5.48	-32.99
C=CCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631823	1	41	-1.0	-38.53	304.38	5.50	-33.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C#N)CC1	REAL250004631824	0	36	-1.0	-51.31	296.59	4.88	-46.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C#N)CC1	REAL250004631824	1	36	-1.0	-51.27	296.65	4.90	-46.37
CC1=CSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004631825	0	35	-1.0	-45.86	289.20	4.48	-41.38
CC1=CSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004631825	1	35	-1.0	-45.88	289.26	4.50	-41.38
CCCC(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631826	0	41	-1.0	-46.56	321.00	4.80	-41.76
CCCC(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631826	1	41	-1.0	-46.55	321.06	4.82	-41.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=C1Cl	REAL250004631827	0	34	-1.0	-48.06	292.94	5.42	-42.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CC=C1Cl	REAL250004631827	1	34	-1.0	-48.03	292.88	5.40	-42.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CC2)OC=N1	REAL250004631828	0	38	-1.0	-47.35	308.09	4.13	-43.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CC2)OC=N1	REAL250004631828	1	38	-1.0	-47.38	308.02	4.12	-43.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CS1	REAL250004631829	0	32	-1.0	-38.01	275.01	4.46	-33.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CS1	REAL250004631829	1	32	-1.0	-38.03	275.06	4.46	-33.57
COCC(C)C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631830	0	44	-1.0	-46.01	329.43	3.75	-42.26
COCC(C)C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631830	1	44	-1.0	-46.00	329.49	3.77	-42.23
CCC[C@@H]1C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631831	0	41	-1.0	-44.88	317.24	5.91	-38.97
CCC[C@@H]1C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631831	1	41	-1.0	-44.84	317.30	5.93	-38.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NN(C)C=C1	REAL250004631832	0	41	-1.0	-48.49	331.77	4.70	-43.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NN(C)C=C1	REAL250004631832	1	41	-1.0	-48.47	331.82	4.72	-43.75
COC(C)(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004631833	0	42	-1.0	-40.65	294.20	4.46	-36.19
COC(C)(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631833	1	42	-1.0	-40.67	294.25	4.46	-36.21
COC1CCCCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631834	0	45	-1.0	-47.11	340.52	4.58	-42.53
COC1CCCCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631834	1	45	-1.0	-47.08	340.57	4.59	-42.49
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL250004631835	0	37	-1.0	-44.98	298.91	3.44	-41.54
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL250004631835	1	37	-1.0	-44.96	298.97	3.46	-41.50
CCC(O)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631836	0	38	-1.0	-47.99	299.64	2.51	-45.48
CCC(O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631836	1	38	-1.0	-47.97	299.70	2.51	-45.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(C)C)N=N1	REAL250004631837	0	40	-1.0	-44.61	321.84	3.84	-40.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(C)C)N=N1	REAL250004631837	1	40	-1.0	-44.60	321.79	3.83	-40.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1CC1	REAL250004631838	0	41	-1.0	-43.93	325.15	6.44	-37.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1CC1	REAL250004631838	1	41	-1.0	-43.95	325.21	6.45	-37.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NC=CC=N1	REAL250004631839	0	39	-1.0	-47.65	321.92	4.31	-43.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NC=CC=N1	REAL250004631839	1	39	-1.0	-47.65	321.98	4.33	-43.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN=CS1	REAL250004631840	0	37	-1.0	-43.40	316.77	4.36	-39.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CS1	REAL250004631840	1	37	-1.0	-43.44	316.71	4.34	-39.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(C)C1CC1	REAL250004631841	0	44	-1.0	-42.43	326.66	6.51	-35.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(C)C1CC1	REAL250004631841	1	44	-1.0	-42.46	326.71	6.52	-35.94
CCC1=NC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631842	0	40	-1.0	-43.23	321.13	2.56	-40.67
CCC1=NC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631842	1	40	-1.0	-43.30	321.19	2.57	-40.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)N=N1	REAL250004631843	0	33	-1.0	-45.55	279.11	1.72	-43.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)N=N1	REAL250004631843	1	33	-1.0	-45.54	279.05	1.70	-43.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(CO)=C1	REAL250004631844	0	35	-1.0	-46.61	290.04	1.10	-45.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(CO)=C1	REAL250004631844	1	35	-1.0	-46.59	290.11	1.11	-45.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=NC(F)=C1	REAL250004631845	0	37	-1.0	-44.89	311.86	4.48	-40.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=NC(F)=C1	REAL250004631845	1	37	-1.0	-44.92	311.92	4.50	-40.42
CC1=CC=C(O)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631846	0	39	-1.0	-46.01	312.30	2.98	-43.03
CC1=CC=C(O)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631846	1	39	-1.0	-46.00	312.35	3.00	-43.00
COCC1=NOC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631847	0	38	-1.0	-38.82	304.55	2.71	-36.11
COCC1=NOC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631847	1	38	-1.0	-38.80	304.60	2.71	-36.09
COC(=O)CC(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631848	0	43	-1.0	-51.48	337.47	5.24	-46.24
COC(=O)CC(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631848	1	43	-1.0	-51.48	337.53	5.26	-46.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CC2)N=CO1	REAL250004631849	0	38	-1.0	-45.16	312.45	2.80	-42.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CC2)N=CO1	REAL250004631849	1	38	-1.0	-45.15	312.50	2.81	-42.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCCCC1	REAL250004631850	0	41	-1.0	-44.12	307.57	5.84	-38.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCCCC1	REAL250004631850	1	41	-1.0	-44.13	307.63	5.86	-38.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C#N)=N1	REAL250004631851	0	35	-1.0	-44.79	299.71	5.52	-39.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C#N)=N1	REAL250004631851	1	35	-1.0	-44.78	299.63	5.50	-39.28
CC(=O)C1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004631852	0	38	-1.0	-46.99	301.23	3.83	-43.16
CC(=O)C1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004631852	1	38	-1.0	-46.97	301.29	3.85	-43.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC(=O)N1	REAL250004631853	0	42	-1.0	-48.41	326.85	2.92	-45.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC(=O)N1	REAL250004631853	1	42	-1.0	-48.40	326.91	2.94	-45.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCSC1	REAL250004631854	0	39	-1.0	-37.31	308.13	5.54	-31.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCSC1	REAL250004631854	1	39	-1.0	-37.32	308.19	5.56	-31.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN2CCOC2=C1	REAL250004631855	0	37	-1.0	-44.12	303.31	2.08	-42.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN2CCOC2=C1	REAL250004631855	1	37	-1.0	-44.14	303.26	2.06	-42.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC1C	REAL250004631856	0	38	-1.0	-43.90	302.85	5.54	-38.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC1C	REAL250004631856	1	38	-1.0	-43.91	302.91	5.56	-38.35
C#CC1=CC=CC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631857	0	40	-1.0	-46.29	335.73	7.37	-38.92
C#CC1=CC=CC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631857	1	40	-1.0	-46.28	335.78	7.39	-38.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC(=O)NC(=O)N1	REAL250004631858	0	37	-1.0	-51.62	297.13	-1.37	-52.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC(=O)NC(=O)N1	REAL250004631858	1	37	-1.0	-51.59	297.19	-1.35	-52.94
C=CC(=O)N(CC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631859	0	42	-1.0	-55.22	332.82	4.65	-50.57
C=CC(=O)N(CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631859	1	42	-1.0	-55.26	332.86	4.66	-50.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)N=N1	REAL250004631860	0	34	-1.0	-45.89	283.52	2.65	-43.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)N=N1	REAL250004631860	1	34	-1.0	-45.93	283.46	2.65	-43.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC1C(N)=O	REAL250004631861	0	39	-1.0	-53.55	309.62	1.04	-52.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC1C(N)=O	REAL250004631861	1	39	-1.0	-53.58	309.68	1.05	-52.53
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(CO)=NO1	REAL250004631862	0	38	-1.0	-45.88	317.98	0.96	-44.92
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(CO)=NO1	REAL250004631862	1	38	-1.0	-45.86	318.03	0.97	-44.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1CC1	REAL250004631863	0	41	-1.0	-46.02	299.59	5.47	-40.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1CC1	REAL250004631863	1	41	-1.0	-46.03	299.65	5.48	-40.55
CC1=NSC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631864	0	37	-1.0	-34.78	304.70	4.44	-30.34
CC1=NSC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631864	1	37	-1.0	-34.77	304.75	4.43	-30.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CCF)N=C1	REAL250004631865	0	38	-1.0	-45.09	309.40	3.75	-41.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CCF)N=C1	REAL250004631865	1	38	-1.0	-45.03	309.34	3.74	-41.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCOC1	REAL250004631866	0	36	-1.0	-42.04	283.18	2.41	-39.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCOC1	REAL250004631866	1	36	-1.0	-42.03	283.24	2.42	-39.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CCF)CC1	REAL250004631867	0	38	-1.0	-47.68	285.83	4.66	-43.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CCF)CC1	REAL250004631867	1	38	-1.0	-47.66	285.88	4.66	-43.00
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CN1C	REAL250004631868	0	42	-1.0	-42.72	319.19	6.30	-36.42
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CN1C	REAL250004631868	1	42	-1.0	-42.72	319.24	6.31	-36.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CN=C1	REAL250004631869	0	35	-1.0	-47.50	288.43	5.21	-42.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CN=C1	REAL250004631869	1	35	-1.0	-47.51	288.49	5.22	-42.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC=C1C#N	REAL250004631870	0	35	-1.0	-48.01	299.54	3.64	-44.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC=C1C#N	REAL250004631870	1	35	-1.0	-47.99	299.49	3.63	-44.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(Cl)C=N1	REAL250004631871	0	35	-1.0	-47.20	307.89	4.21	-42.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(Cl)C=N1	REAL250004631871	1	35	-1.0	-47.19	307.84	4.20	-42.99
CC1=NN=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631872	0	36	-1.0	-52.40	302.66	-0.77	-53.17
CC1=NN=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631872	1	36	-1.0	-52.45	302.71	-0.76	-53.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C)CCCC1	REAL250004631873	0	44	-1.0	-43.25	326.47	6.35	-36.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C)CCCC1	REAL250004631873	1	44	-1.0	-43.22	326.53	6.37	-36.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCCC#N	REAL250004631874	0	41	-1.0	-51.36	332.89	6.07	-45.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCCC#N	REAL250004631874	1	41	-1.0	-51.32	332.94	6.08	-45.24
CCOC1CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004631875	0	42	-1.0	-42.21	329.57	4.39	-37.82
CCOC1CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631875	1	42	-1.0	-42.19	329.63	4.41	-37.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)N1	REAL250004631876	0	33	-1.0	-46.15	273.23	-0.29	-46.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)N1	REAL250004631876	1	33	-1.0	-46.15	273.29	-0.28	-46.43
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC(=O)N1	REAL250004631877	0	36	-1.0	-42.65	287.17	1.79	-40.86
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)NC(=O)N1	REAL250004631877	1	36	-1.0	-42.63	287.22	1.81	-40.82
CC1=NN=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004631878	0	37	-1.0	-58.50	304.84	3.62	-54.88
CC1=NN=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004631878	1	37	-1.0	-58.51	304.90	3.64	-54.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCNC1=O	REAL250004631879	0	36	-1.0	-43.14	279.04	0.66	-42.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCNC1=O	REAL250004631879	1	36	-1.0	-43.12	279.10	0.67	-42.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(F)F)=NN1	REAL250004631880	0	35	-1.0	-35.61	295.59	3.58	-32.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(F)F)=NN1	REAL250004631880	1	35	-1.0	-35.63	295.64	3.60	-32.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=NC=CN1	REAL250004631882	0	36	-1.0	-47.17	301.74	3.69	-43.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=NC=CN1	REAL250004631882	1	36	-1.0	-47.15	301.80	3.70	-43.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1=CNC=N1	REAL250004631883	0	41	-1.0	-46.60	326.72	5.15	-41.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC1=CNC=N1	REAL250004631883	1	41	-1.0	-46.62	326.78	5.16	-41.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1=CN=CN1	REAL250004631883	1	41	-1.0	-36.82	320.82	4.92	-31.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(=O)NC1	REAL250004631884	0	42	-1.0	-47.71	324.24	2.52	-45.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(=O)NC1	REAL250004631884	1	42	-1.0	-47.72	324.29	2.52	-45.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC1CCCC1	REAL250004631885	0	45	-1.0	-46.60	348.74	6.35	-40.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC1CCCC1	REAL250004631885	1	45	-1.0	-46.62	348.80	6.36	-40.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC2CCC1O2	REAL250004631886	0	43	-1.0	-45.30	325.83	4.41	-40.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC2CCC1O2	REAL250004631886	1	43	-1.0	-45.31	325.89	4.42	-40.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CCC2)CCC1	REAL250004631887	0	45	-1.0	-45.13	319.46	6.30	-38.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CCC2)CCC1	REAL250004631887	1	45	-1.0	-45.07	319.52	6.31	-38.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCC(C)(C)CC1	REAL250004631888	0	45	-1.0	-37.34	324.89	6.72	-30.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCC(C)(C)CC1	REAL250004631888	1	45	-1.0	-37.32	324.95	6.73	-30.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCC(C)CC1	REAL250004631889	0	42	-1.0	-45.29	313.23	5.92	-39.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCC(C)CC1	REAL250004631889	1	42	-1.0	-45.27	313.28	5.94	-39.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004631890	0	40	-1.0	-49.84	305.76	3.63	-46.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004631890	1	40	-1.0	-49.88	305.82	3.65	-46.23
CC(C)CCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631891	0	46	-1.0	-44.25	351.10	6.84	-37.41
CC(C)CCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631891	1	46	-1.0	-44.29	351.15	6.85	-37.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCCO1	REAL250004631892	0	42	-1.0	-37.79	301.94	4.44	-33.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCCO1	REAL250004631892	1	42	-1.0	-37.73	302.00	4.44	-33.29
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004631893	0	45	-1.0	-49.34	332.49	4.06	-45.28
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004631893	1	45	-1.0	-49.33	332.54	4.08	-45.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250004631894	0	41	-1.0	-44.47	316.64	5.25	-39.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250004631894	1	41	-1.0	-44.46	316.70	5.27	-39.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(=O)N1C	REAL250004631895	0	42	-1.0	-42.87	331.07	4.09	-38.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(=O)N1C	REAL250004631895	1	42	-1.0	-42.85	331.13	4.10	-38.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(=O)N1	REAL250004631896	0	36	-1.0	-48.97	295.18	0.69	-48.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(=O)N1	REAL250004631896	1	36	-1.0	-48.94	295.24	0.71	-48.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOC(=O)N1	REAL250004631897	0	37	-1.0	-51.09	296.41	0.74	-50.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOC(=O)N1	REAL250004631897	1	37	-1.0	-51.11	296.47	0.76	-50.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCC(=O)N1	REAL250004631898	0	42	-1.0	-39.51	320.59	2.51	-37.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCC(=O)N1	REAL250004631898	1	42	-1.0	-39.45	320.67	2.52	-36.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(CO)=N1	REAL250004631899	0	35	-1.0	-42.65	302.89	1.27	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(CO)=N1	REAL250004631899	1	35	-1.0	-42.69	302.95	1.27	-41.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CNN=C1	REAL250004631900	0	38	-1.0	-46.35	311.80	3.59	-42.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CNN=C1	REAL250004631900	1	38	-1.0	-46.33	311.86	3.60	-42.73
CCC1=NN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004631901	0	36	-1.0	-43.05	305.76	3.50	-39.55
CCC1=NN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004631901	1	36	-1.0	-43.07	305.82	3.53	-39.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCC1	REAL250004631902	0	41	-1.0	-37.34	311.10	5.89	-31.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCC1	REAL250004631902	1	41	-1.0	-37.36	311.16	5.90	-31.46
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC=C1C#N	REAL250004631903	0	38	-1.0	-42.69	320.45	5.80	-36.89
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC=C1C#N	REAL250004631903	1	38	-1.0	-42.70	320.51	5.82	-36.88
CCC(CC(F)F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631904	0	40	-1.0	-46.83	318.61	5.29	-41.54
CCC(CC(F)F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631904	1	40	-1.0	-46.83	318.67	5.31	-41.52
CCC(C)(C)OCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631905	0	44	-1.0	-47.10	336.23	5.48	-41.62
CCC(C)(C)OCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631905	1	44	-1.0	-47.08	336.28	5.49	-41.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C(C)(C)C)C1	REAL250004631906	0	47	-1.0	-45.22	348.21	6.74	-38.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C(C)(C)C)C1	REAL250004631906	1	47	-1.0	-45.16	348.27	6.76	-38.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC(C)(C)C	REAL250004631907	0	39	-1.0	-45.72	315.42	5.58	-40.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC(C)(C)C	REAL250004631907	1	39	-1.0	-45.74	315.59	5.60	-40.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CO)CCOCC1	REAL250004631908	0	43	-1.0	-49.23	301.66	1.95	-47.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CO)CCOCC1	REAL250004631908	1	43	-1.0	-49.27	301.72	1.97	-47.30
CC1=NON=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631909	0	36	-1.0	-45.69	302.78	2.84	-42.85
CC1=NON=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631909	1	36	-1.0	-45.71	302.83	2.85	-42.86
CC1=CN(C)N=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631910	0	38	-1.0	-49.48	307.85	4.56	-44.92
CC1=CN(C)N=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631910	1	38	-1.0	-49.52	307.79	4.54	-44.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004631911	0	42	-1.0	-44.83	335.80	7.53	-37.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004631911	1	42	-1.0	-44.83	335.85	7.54	-37.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCOC1	REAL250004631912	0	37	-1.0	-44.76	283.26	0.25	-44.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCOC1	REAL250004631912	1	37	-1.0	-44.70	283.32	0.27	-44.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(Cl)=C1	REAL250004631913	0	34	-1.0	-36.15	292.37	3.87	-32.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(Cl)=C1	REAL250004631913	1	34	-1.0	-36.15	292.33	3.86	-32.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1CCC1	REAL250004631914	0	39	-1.0	-42.36	301.80	3.42	-38.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1CCC1	REAL250004631914	1	39	-1.0	-42.34	301.85	3.44	-38.90
CCCC(CC(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631915	0	49	-1.0	-45.62	356.80	6.69	-38.93
CCCC(CC(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631915	1	49	-1.0	-45.65	356.87	6.71	-38.94
CCC(CC(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631916	0	46	-1.0	-45.57	335.07	5.92	-39.65
CCC(CC(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631916	1	46	-1.0	-45.56	335.13	5.95	-39.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CNC2=N1	REAL250004631917	0	38	-1.0	-63.85	313.32	5.79	-58.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CNC2=N1	REAL250004631917	1	38	-1.0	-63.85	313.38	5.80	-58.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCC(=O)CC1	REAL250004631918	0	43	-1.0	-44.75	308.23	4.32	-40.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCC(=O)CC1	REAL250004631918	1	43	-1.0	-44.75	308.29	4.33	-40.42
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N(C)N=C1	REAL250004631919	0	38	-1.0	-41.54	302.06	3.67	-37.87
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N(C)N=C1	REAL250004631919	1	38	-1.0	-41.49	301.99	3.65	-37.84
COCC(C)(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631920	0	44	-1.0	-44.10	335.34	4.43	-39.67
COCC(C)(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631920	1	44	-1.0	-44.16	335.39	4.44	-39.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(F)CC1	REAL250004631921	0	41	-1.0	-42.94	311.04	5.96	-36.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(F)CC1	REAL250004631921	1	41	-1.0	-42.94	311.11	5.98	-36.96
CCC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631922	0	40	-1.0	-42.39	314.16	6.36	-36.03
CCC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631922	1	40	-1.0	-42.40	314.21	6.36	-36.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(F)(F)C1	REAL250004631923	0	38	-1.0	-45.20	311.69	5.55	-39.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(F)(F)C1	REAL250004631923	1	38	-1.0	-45.26	311.75	5.57	-39.69
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1C	REAL250004631924	0	40	-1.0	-42.66	316.11	6.41	-36.25
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1C	REAL250004631924	1	40	-1.0	-42.66	316.16	6.42	-36.24
C=CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004631925	0	45	-1.0	-44.84	332.04	6.14	-38.70
C=CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004631925	1	45	-1.0	-44.89	332.09	6.15	-38.74
COC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C	REAL250004631926	0	39	-1.0	-45.45	322.82	1.86	-43.59
COC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C	REAL250004631926	1	39	-1.0	-45.49	322.77	1.84	-43.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004631927	0	34	-1.0	-40.74	287.32	4.33	-36.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004631927	1	34	-1.0	-40.73	287.37	4.34	-36.39
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=N1	REAL250004631928	0	36	-1.0	-45.06	295.64	4.14	-40.92
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=N1	REAL250004631928	1	36	-1.0	-45.04	295.70	4.15	-40.89
CC(C)CC(C(N)=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631929	0	44	-1.0	-53.21	341.31	1.79	-51.42
CC(C)CC(C(N)=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631929	1	44	-1.0	-53.21	341.36	1.81	-51.40
CCCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CN1	REAL250004631930	0	42	-1.0	-41.72	320.19	5.46	-36.26
CCCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CN1	REAL250004631930	1	42	-1.0	-41.76	320.25	5.47	-36.29
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(F)C1	REAL250004631945	1	41	-1.0	-41.14	316.21	5.78	-35.36
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1CCCC1	REAL250004631959	0	42	-1.0	-43.99	327.84	6.53	-37.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1CCCC1	REAL250004631959	1	42	-1.0	-43.98	327.89	6.55	-37.43
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)C1	REAL250004631961	1	37	-1.0	-42.20	293.33	4.21	-37.99
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NN(C)C=C1	REAL250004631964	0	38	-1.0	-53.66	312.59	4.08	-49.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NN(C)C=C1	REAL250004631964	1	38	-1.0	-53.65	312.65	4.09	-49.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CF)CCC1	REAL250004631965	0	38	-1.0	-41.23	291.00	4.55	-36.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CF)CCC1	REAL250004631965	1	38	-1.0	-41.18	290.97	4.55	-36.63
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CS(=O)(=O)C1	REAL250004631969	0	35	-1.0	-48.42	290.76	0.32	-48.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CS(=O)(=O)C1	REAL250004631969	1	35	-1.0	-48.41	290.82	0.34	-48.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCNC1=O	REAL250004631970	0	39	-1.0	-49.44	301.58	2.01	-47.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCNC1=O	REAL250004631970	1	39	-1.0	-49.47	301.65	2.01	-47.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(=O)N1C	REAL250004631971	0	36	-1.0	-47.12	286.49	1.69	-45.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(=O)N1C	REAL250004631971	1	36	-1.0	-47.13	286.54	1.71	-45.42
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CSC1	REAL250004631973	0	36	-1.0	-45.18	298.22	5.01	-40.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CSC1	REAL250004631973	1	36	-1.0	-45.18	298.29	5.03	-40.15
COC1=NN(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631974	0	39	-1.0	-49.41	324.00	1.00	-48.41
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CSC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004631975	0	36	-1.0	-47.00	304.48	4.40	-42.60
CSC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004631975	1	36	-1.0	-47.01	304.53	4.41	-42.60
C#CCN1CCC[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631977	0	42	-1.0	-43.63	322.29	3.25	-40.38
C#CCN1CCC[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631977	1	42	-1.0	-43.59	322.35	3.26	-40.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2CC2)=C1	REAL250004631978	0	42	-1.0	-48.34	329.99	7.12	-41.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2CC2)=C1	REAL250004631978	1	42	-1.0	-48.33	330.05	7.13	-41.20
COC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004631979	0	36	-1.0	-38.70	294.53	4.26	-34.44
COC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004631979	1	36	-1.0	-38.71	294.57	4.25	-34.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN1C(C)(C)C	REAL250004631980	0	46	-1.0	-39.74	322.68	2.18	-37.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN1C(C)(C)C	REAL250004631980	1	46	-1.0	-39.73	322.73	2.19	-37.54
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC=N1	REAL250004631982	0	35	-1.0	-46.29	287.52	3.78	-42.51
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)NC=N1	REAL250004631982	1	35	-1.0	-46.31	287.58	3.79	-42.52
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC=N1	REAL250004631983	0	38	-1.0	-46.16	299.66	5.17	-40.99
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COC(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631984	0	36	-1.0	-49.42	286.53	2.49	-46.93
COC(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631984	1	36	-1.0	-49.40	286.59	2.51	-46.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C(Cl)N1C	REAL250004631985	0	35	-1.0	-41.16	293.99	3.96	-37.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C(Cl)N1C	REAL250004631985	1	35	-1.0	-41.11	293.93	3.94	-37.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCC#N	REAL250004631986	0	38	-1.0	-46.24	314.39	5.39	-40.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCC#N	REAL250004631986	1	38	-1.0	-46.24	314.45	5.41	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CF)CC1	REAL250004631987	0	35	-1.0	-34.44	278.68	4.56	-29.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CF)CC1	REAL250004631987	1	35	-1.0	-34.43	278.74	4.56	-29.87
CC(=CC1=CC=CO1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631988	0	39	-1.0	-40.26	317.18	5.40	-34.86
CC(=CC1=CC=CO1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631988	1	39	-1.0	-40.30	317.21	5.43	-34.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(CO)=C1	REAL250004631989	0	36	-1.0	-47.87	293.74	0.64	-47.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(CO)=C1	REAL250004631989	1	36	-1.0	-47.87	293.80	0.66	-47.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CSC1	REAL250004631990	0	33	-1.0	-41.29	275.30	4.14	-37.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CSC1	REAL250004631990	1	33	-1.0	-41.31	275.36	4.15	-37.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[C@H](C)CC1	REAL250004631991	0	44	-1.0	-37.40	329.29	6.49	-30.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[C@H](C)CC1	REAL250004631991	1	44	-1.0	-37.45	329.32	6.51	-30.94
CCC(CO)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631993	0	38	-1.0	-48.72	289.87	0.83	-47.89
CCC(CO)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631993	1	38	-1.0	-48.72	289.93	0.84	-47.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNC1=CC=CC=N1	REAL250004631994	0	39	-1.0	-45.97	316.50	3.58	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNC1=CC=CC=N1	REAL250004631994	1	39	-1.0	-46.06	316.55	3.60	-42.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1CCC1	REAL250004631995	0	42	-1.0	-45.65	322.69	6.44	-39.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1CCC1	REAL250004631995	1	42	-1.0	-45.65	322.75	6.45	-39.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL250004631996	0	43	-1.0	-38.01	316.30	6.76	-31.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL250004631996	1	43	-1.0	-37.97	316.38	6.79	-31.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)N1C=CN=C1	REAL250004631997	0	41	-1.0	-42.85	328.11	6.25	-36.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)N1C=CN=C1	REAL250004631997	1	41	-1.0	-42.88	328.17	6.27	-36.61
CCN1C=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004631998	0	41	-1.0	-53.62	332.51	4.85	-48.77
CCN1C=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004631998	1	41	-1.0	-53.60	332.57	4.86	-48.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12C[C@H]1COC2	REAL250004631999	0	37	-1.0	-43.34	294.13	3.16	-40.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12C[C@H]1COC2	REAL250004631999	1	37	-1.0	-43.31	294.19	3.18	-40.13
CCC1=NOC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632000	0	37	-1.0	-43.56	300.41	4.03	-39.53
CCC1=NOC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632000	1	37	-1.0	-43.59	300.46	4.05	-39.54
CC(=O)NCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632001	0	44	-1.0	-54.44	328.47	2.39	-52.05
CC(=O)NCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632001	1	44	-1.0	-54.47	328.53	2.41	-52.06
CCC(C#N)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632002	0	35	-1.0	-41.80	281.76	3.78	-38.02
CCC(C#N)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632002	1	35	-1.0	-41.81	281.82	3.79	-38.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1C1CCCC1	REAL250004632003	0	45	-1.0	-43.53	340.03	7.06	-36.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1C1CCCC1	REAL250004632003	1	45	-1.0	-43.57	340.09	7.07	-36.50
CSCC1(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632004	0	42	-1.0	-42.89	339.38	6.35	-36.54
CSCC1(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632004	1	42	-1.0	-42.86	339.44	6.36	-36.50
CCCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632005	0	43	-1.0	-45.83	308.39	5.02	-40.81
CCCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632005	1	43	-1.0	-45.80	308.45	5.04	-40.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC1COC2(C)C	REAL250004632006	0	43	-1.0	-36.47	307.94	4.45	-32.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC1COC2(C)C	REAL250004632006	1	43	-1.0	-36.47	308.00	4.46	-32.01
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)(C)C	REAL250004632007	0	44	-1.0	-43.73	330.26	6.08	-37.65
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)(C)C	REAL250004632007	1	44	-1.0	-43.78	330.30	6.09	-37.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN(C)N=N1	REAL250004632008	0	38	-1.0	-49.65	318.11	3.21	-46.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN(C)N=N1	REAL250004632008	1	38	-1.0	-49.62	318.17	3.22	-46.40
CNC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CS1	REAL250004632009	0	36	-1.0	-46.43	303.50	3.57	-42.86
CNC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CS1	REAL250004632009	1	36	-1.0	-46.43	303.44	3.55	-42.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CC2(F)F)C1	REAL250004632010	0	39	-1.0	-41.81	320.11	6.07	-35.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CC2(F)F)C1	REAL250004632010	1	39	-1.0	-41.84	320.17	6.09	-35.75
CSC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632011	0	38	-1.0	-47.27	289.66	4.12	-43.15
CSC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632011	1	38	-1.0	-47.25	289.71	4.14	-43.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(N2C=NN=N2)CC1	REAL250004632012	0	37	-1.0	-40.78	304.97	3.71	-37.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(N2C=NN=N2)CC1	REAL250004632012	1	37	-1.0	-40.82	304.92	3.71	-37.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C(C)(C)O	REAL250004632013	0	39	-1.0	-46.85	300.10	-0.01	-46.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C(C)(C)O	REAL250004632013	1	39	-1.0	-46.89	300.16	0.01	-46.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(=O)C1	REAL250004632014	0	37	-1.0	-43.75	287.22	3.52	-40.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(=O)C1	REAL250004632014	1	37	-1.0	-43.75	287.28	3.54	-40.21
CCC(O)C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632015	0	41	-1.0	-39.03	312.68	3.43	-35.60
CCC(O)C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632015	1	41	-1.0	-38.99	312.74	3.45	-35.54
CCC1=CNC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632016	0	41	-1.0	-54.91	332.46	4.37	-50.54
CCC1=CNC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632016	1	41	-1.0	-54.91	332.52	4.39	-50.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CC2C1	REAL250004632017	0	39	-1.0	-45.63	304.05	5.88	-39.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CC2C1	REAL250004632017	1	39	-1.0	-45.64	304.10	5.90	-39.74
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CO1	REAL250004632018	0	39	-1.0	-43.36	317.24	5.54	-37.82
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CO1	REAL250004632018	1	39	-1.0	-43.38	317.30	5.56	-37.82
CC=CC(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632019	0	36	-1.0	-44.33	286.68	2.39	-41.94
CC=CC(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632019	1	36	-1.0	-44.34	286.74	2.41	-41.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCNC1=O	REAL250004632020	0	39	-1.0	-47.81	291.78	1.11	-46.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCNC1=O	REAL250004632020	1	39	-1.0	-47.80	291.83	1.13	-46.67
CC1=CC=NC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632021	0	40	-1.0	-47.29	322.86	5.06	-42.23
CC1=CC=NC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632021	1	40	-1.0	-47.27	322.91	5.08	-42.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1C(F)F	REAL250004632022	0	35	-1.0	-44.68	280.07	3.07	-41.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1C(F)F	REAL250004632022	1	35	-1.0	-44.65	280.01	3.05	-41.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC2CC21	REAL250004632023	0	42	-1.0	-45.04	315.50	6.29	-38.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2CC21	REAL250004632023	1	42	-1.0	-45.05	315.56	6.31	-38.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CF)C=C1	REAL250004632024	0	38	-1.0	-47.25	306.74	5.83	-41.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CF)C=C1	REAL250004632024	1	38	-1.0	-47.26	306.80	5.84	-41.42
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CCOC1	REAL250004632025	0	43	-1.0	-48.96	332.63	3.37	-45.59
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CCOC1	REAL250004632025	1	43	-1.0	-48.97	332.68	3.38	-45.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CC1(F)F	REAL250004632026	0	38	-1.0	-44.25	314.88	5.85	-38.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CC1(F)F	REAL250004632026	1	38	-1.0	-44.26	314.93	5.86	-38.40
COCCCOCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632027	0	45	-1.0	-43.11	361.24	3.24	-39.87
COCCCOCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632027	1	45	-1.0	-43.11	361.30	3.25	-39.86
CC1=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=C1	REAL250004632028	0	38	-1.0	-47.58	311.85	5.08	-42.50
CC1=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=C1	REAL250004632028	1	38	-1.0	-47.59	311.91	5.10	-42.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)N1C=CC=N1	REAL250004632029	0	41	-1.0	-53.87	308.39	4.12	-49.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)N1C=CC=N1	REAL250004632029	1	41	-1.0	-53.87	308.34	4.10	-49.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2CCCN12	REAL250004632030	0	39	-1.0	-39.23	310.23	4.25	-34.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2CCCN12	REAL250004632030	1	39	-1.0	-39.20	310.34	4.27	-34.93
CCCCC(C)(F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632031	0	43	-1.0	-34.32	327.17	6.08	-28.24
CCCCC(C)(F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632031	1	43	-1.0	-34.36	327.25	6.07	-28.29
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(N)=N1	REAL250004632032	0	38	-1.0	-41.88	309.43	1.85	-40.03
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(N)=N1	REAL250004632032	1	38	-1.0	-41.91	309.49	1.86	-40.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2CC2)C=C1	REAL250004632034	0	42	-1.0	-38.10	323.93	7.13	-30.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2CC2)C=C1	REAL250004632034	1	42	-1.0	-38.10	323.99	7.14	-30.96
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CCCC1	REAL250004632035	0	45	-1.0	-48.79	338.09	5.81	-42.98
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CCCC1	REAL250004632035	1	45	-1.0	-48.80	338.15	5.83	-42.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1=CC=CO1	REAL250004632036	0	41	-1.0	-44.35	326.50	5.59	-38.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC1=CC=CO1	REAL250004632036	1	41	-1.0	-44.33	326.56	5.60	-38.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC1(C)C	REAL250004632037	0	41	-1.0	-44.43	310.66	5.54	-38.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC1(C)C	REAL250004632037	1	41	-1.0	-44.43	310.71	5.56	-38.87
CC[C@@H]1CCO[C@@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632038	0	42	-1.0	-47.37	310.85	3.78	-43.59
CC[C@@H]1CCO[C@@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632038	1	42	-1.0	-47.40	310.91	3.80	-43.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C1CCCO1	REAL250004632039	0	45	-1.0	-42.26	338.63	4.90	-37.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C1CCCO1	REAL250004632039	1	45	-1.0	-42.25	338.69	4.92	-37.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2CC2)N=N1	REAL250004632040	0	38	-1.0	-44.75	314.44	3.94	-40.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2CC2)N=N1	REAL250004632040	1	38	-1.0	-44.75	314.38	3.93	-40.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(C)(F)F)CC1	REAL250004632041	0	38	-1.0	-48.17	287.02	4.59	-43.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(C)(F)F)CC1	REAL250004632041	1	38	-1.0	-48.17	287.07	4.60	-43.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC(F)F	REAL250004632042	0	35	-1.0	-53.42	295.18	3.88	-49.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC(F)F	REAL250004632042	1	35	-1.0	-53.39	295.23	3.90	-49.49
COC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CO1	REAL250004632043	0	35	-1.0	-43.56	295.47	1.14	-42.42
COC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CO1	REAL250004632043	1	35	-1.0	-43.56	295.41	1.13	-42.43
CCCC=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632044	0	38	-1.0	-44.12	307.57	5.52	-38.60
CCCC=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632044	1	38	-1.0	-44.13	307.63	5.54	-38.59
CC1=CCC(C)(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632045	0	45	-1.0	-44.89	322.65	6.40	-38.49
CC1=CCC(C)(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632045	1	45	-1.0	-44.83	322.70	6.41	-38.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C	REAL250004632046	0	45	-1.0	-42.45	352.17	5.12	-37.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C	REAL250004632046	1	45	-1.0	-42.48	352.23	5.13	-37.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=C1F	REAL250004632047	0	34	-1.0	-43.23	283.45	5.38	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CC=C1F	REAL250004632047	1	34	-1.0	-43.21	283.40	5.38	-37.83
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004632048	0	34	-1.0	-43.23	280.41	1.10	-42.13
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004632048	1	34	-1.0	-43.29	280.47	1.12	-42.17
CC1=COC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632049	0	35	-1.0	-39.19	276.01	4.29	-34.90
CC1=COC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632049	1	35	-1.0	-39.18	276.05	4.31	-34.87
COCC(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632050	0	39	-1.0	-44.54	312.40	2.43	-42.11
COCC(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632050	1	39	-1.0	-44.47	312.45	2.44	-42.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCN1C	REAL250004632051	1	40	-1.0	-46.65	304.24	2.49	-44.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCN1C	REAL250004632051	1	40	-1.0	-46.61	304.30	2.51	-44.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCCN1C	REAL250004632052	1	40	-1.0	-46.45	308.13	2.48	-43.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCCN1C	REAL250004632052	1	40	-1.0	-46.47	308.19	2.50	-43.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](C)N(C)C	REAL250004632053	1	39	-1.0	-43.89	300.92	2.06	-41.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](C)N(C)C	REAL250004632053	1	39	-1.0	-43.88	300.98	2.08	-41.80
CCC(C)(C)C(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632054	0	44	-1.0	-42.78	320.82	3.47	-39.31
CCC(C)(C)C(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632054	1	44	-1.0	-42.76	320.88	3.48	-39.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C(C2CC2)O1	REAL250004632055	0	38	-1.0	-40.72	304.37	2.54	-38.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C(C2CC2)O1	REAL250004632055	1	38	-1.0	-40.73	304.43	2.55	-38.18
CC1=NN(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)O1	REAL250004632057	0	37	-1.0	-50.26	314.86	1.11	-49.15
CC1=NN(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)O1	REAL250004632057	1	37	-1.0	-50.25	314.92	1.12	-49.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C1=CC=CO1	REAL250004632058	0	41	-1.0	-42.94	329.37	5.80	-37.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C1=CC=CO1	REAL250004632058	1	41	-1.0	-42.92	329.43	5.82	-37.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCN(C)C1=O	REAL250004632059	0	42	-1.0	-41.29	315.74	3.70	-37.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCN(C)C1=O	REAL250004632059	1	42	-1.0	-41.27	315.79	3.71	-37.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(O)CN1C	REAL250004632060	0	44	-1.0	-45.42	317.02	-1.31	-46.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(O)CN1C	REAL250004632060	1	44	-1.0	-45.43	317.08	-1.30	-46.73
CCCC(OCC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632061	0	44	-1.0	-47.71	335.83	5.24	-42.47
CCCC(OCC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632061	1	44	-1.0	-47.73	335.89	5.24	-42.49
COC1CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632062	0	39	-1.0	-48.49	307.67	3.40	-45.09
COC1CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632062	1	39	-1.0	-48.47	307.72	3.41	-45.06
CCOC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004632063	0	42	-1.0	-47.88	326.92	5.65	-42.23
CCOC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004632063	1	42	-1.0	-47.91	326.97	5.67	-42.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CS1	REAL250004632064	0	36	-1.0	-44.90	311.54	5.96	-38.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CS1	REAL250004632064	1	36	-1.0	-44.90	311.60	5.97	-38.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2CC2)N=C1	REAL250004632065	0	39	-1.0	-42.05	308.05	4.57	-37.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2CC2)N=C1	REAL250004632065	1	39	-1.0	-42.08	308.00	4.55	-37.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1COC(=O)N1	REAL250004632066	0	34	-1.0	-38.05	279.13	0.19	-37.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1COC(=O)N1	REAL250004632066	1	34	-1.0	-38.09	279.18	0.20	-37.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CSC=N1	REAL250004632067	0	34	-1.0	-47.59	290.89	3.42	-44.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CSC=N1	REAL250004632067	1	34	-1.0	-47.61	290.95	3.44	-44.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC2(CC2)C1	REAL250004632068	0	45	-1.0	-36.81	344.67	7.20	-29.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2(CC2)C1	REAL250004632068	1	45	-1.0	-36.88	344.71	7.23	-29.65
CCCN1N=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632069	0	41	-1.0	-43.07	320.88	4.64	-38.43
CCCN1N=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632069	1	41	-1.0	-43.07	320.82	4.63	-38.44
CC1=CN=CN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632070	0	38	-1.0	-48.09	311.47	5.81	-42.28
CC1=CN=CN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632070	1	38	-1.0	-48.09	311.41	5.79	-42.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C=NN1C	REAL250004632071	0	35	-1.0	-40.62	301.19	3.92	-36.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C=NN1C	REAL250004632071	1	35	-1.0	-40.60	301.13	3.92	-36.68
CCOC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004632072	0	42	-1.0	-42.65	318.85	4.18	-38.47
CCOC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004632072	1	42	-1.0	-42.65	318.91	4.19	-38.46
CCC(F)(F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632073	0	34	-1.0	-39.09	274.59	4.28	-34.81
CCC(F)(F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632073	1	34	-1.0	-39.16	274.64	4.30	-34.86
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CCC1	REAL250004632074	0	42	-1.0	-38.02	321.03	5.36	-32.66
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CCC1	REAL250004632074	1	42	-1.0	-38.01	321.09	5.36	-32.65
CCCCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632075	0	49	-1.0	-45.71	355.63	7.05	-38.66
CCCCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632075	1	49	-1.0	-45.69	355.69	7.06	-38.63
CCN1C=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632076	0	38	-1.0	-50.42	306.16	6.78	-43.64
CCN1C=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632076	1	38	-1.0	-50.45	306.10	6.76	-43.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250004632077	0	37	-1.0	-44.28	296.29	3.45	-40.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250004632077	1	37	-1.0	-44.29	296.34	3.46	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250004632078	0	39	-1.0	-45.16	301.50	5.87	-39.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250004632078	1	39	-1.0	-45.19	301.55	5.88	-39.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2(CC2)CC1	REAL250004632079	0	45	-1.0	-37.63	339.37	7.11	-30.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(CC2)CC1	REAL250004632079	1	45	-1.0	-37.67	339.39	7.12	-30.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1Cl	REAL250004632080	0	35	-1.0	-43.62	304.07	4.67	-38.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C=C1Cl	REAL250004632080	1	35	-1.0	-43.63	304.01	4.66	-38.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)SC=C1	REAL250004632081	0	32	-1.0	-44.21	295.00	5.00	-39.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)SC=C1	REAL250004632081	1	32	-1.0	-44.20	295.06	5.01	-39.19
CC1=NC=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632082	0	36	-1.0	-47.54	298.00	2.32	-45.22
CC1=NC=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632082	1	36	-1.0	-47.53	298.05	2.33	-45.20
C=C1CC(C)(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632083	0	39	-1.0	-45.06	297.41	5.48	-39.58
C=C1CC(C)(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632083	1	39	-1.0	-45.07	297.46	5.49	-39.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CC2)C1	REAL250004632084	0	39	-1.0	-44.17	306.83	5.94	-38.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CC2)C1	REAL250004632084	1	39	-1.0	-44.21	306.88	5.95	-38.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN(C)N=N1	REAL250004632085	0	40	-1.0	-46.16	326.98	3.53	-42.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN(C)N=N1	REAL250004632085	1	40	-1.0	-46.12	327.03	3.54	-42.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=NO1	REAL250004632086	0	31	-1.0	-37.51	279.69	3.42	-34.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=NO1	REAL250004632086	1	31	-1.0	-37.47	279.63	3.40	-34.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1COC(=O)N1	REAL250004632087	0	34	-1.0	-47.38	280.53	-0.26	-47.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1COC(=O)N1	REAL250004632087	1	34	-1.0	-47.36	280.58	-0.25	-47.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CNC(=O)N1C	REAL250004632088	0	38	-1.0	-47.76	304.30	0.92	-46.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CNC(=O)N1C	REAL250004632088	1	38	-1.0	-47.77	304.36	0.93	-46.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)N(C)C	REAL250004632089	1	39	-1.0	-47.32	285.72	1.67	-45.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)N(C)C	REAL250004632089	1	39	-1.0	-47.38	285.78	1.67	-45.71
CCC(C)(C)C(=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632090	0	42	-1.0	-39.69	315.90	5.04	-34.65
CCC(C)(C)C(=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632090	1	42	-1.0	-39.74	315.95	5.06	-34.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@@H](O)C1	REAL250004632091	0	36	-1.0	-49.59	284.97	1.07	-48.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@@H](O)C1	REAL250004632091	1	36	-1.0	-49.59	285.03	1.09	-48.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C)CC(C)O1	REAL250004632092	0	44	-1.0	-45.68	336.71	2.56	-43.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C)CC(C)O1	REAL250004632092	1	44	-1.0	-45.62	336.77	2.57	-43.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CCN1C=NC=N1	REAL250004632094	0	38	-1.0	-54.13	321.77	6.43	-47.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CCN1C=NC=N1	REAL250004632094	1	38	-1.0	-54.10	321.72	6.41	-47.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004632095	0	39	-1.0	-55.98	311.66	4.86	-51.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004632095	1	39	-1.0	-55.98	311.72	4.87	-51.11
CC1=CC=NN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632096	0	38	-1.0	-50.23	310.30	4.08	-46.15
CC1=CC=NN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632096	1	38	-1.0	-50.26	310.36	4.09	-46.17
CC(Cl)=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632097	0	32	-1.0	-45.28	273.00	4.27	-41.01
CC(Cl)=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632097	1	32	-1.0	-45.27	273.05	4.28	-40.99
CC1=C(CO)C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004632098	0	39	-1.0	-43.76	320.26	2.15	-41.61
CC1=C(CO)C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004632098	1	39	-1.0	-43.80	320.32	2.17	-41.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N(C)C=N1	REAL250004632100	0	37	-1.0	-54.53	300.17	4.87	-49.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N(C)C=N1	REAL250004632100	1	37	-1.0	-54.51	300.11	4.86	-49.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1OCCN(C)C1=O	REAL250004632101	0	40	-1.0	-50.87	308.30	2.19	-48.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1OCCN(C)C1=O	REAL250004632101	1	40	-1.0	-50.85	308.36	2.20	-48.65
CC1=C(C)NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632103	0	38	-1.0	-44.85	308.28	4.25	-40.60
CC1=C(C)NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632103	1	38	-1.0	-44.89	308.33	4.27	-40.62
CC1=NN=C(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004632104	0	39	-1.0	-46.61	322.30	-0.03	-46.64
CC1=NN=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004632104	1	39	-1.0	-46.58	322.36	-0.01	-46.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN=C(C2CC2)O1	REAL250004632105	0	37	-1.0	-43.37	307.90	1.62	-41.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN=C(C2CC2)O1	REAL250004632105	1	37	-1.0	-43.40	307.95	1.64	-41.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CNC1=O	REAL250004632106	0	35	-1.0	-52.69	283.26	1.94	-50.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CNC1=O	REAL250004632106	1	35	-1.0	-52.62	283.31	1.95	-50.67
C#CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL250004632107	0	37	-1.0	-46.49	305.99	6.20	-40.29
C#CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL250004632107	1	37	-1.0	-46.51	306.04	6.22	-40.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCOC1	REAL250004632108	0	37	-1.0	-43.83	292.39	2.23	-41.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCOC1	REAL250004632108	1	37	-1.0	-43.79	292.45	2.25	-41.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CN=CC=N1	REAL250004632109	0	39	-1.0	-48.52	307.98	2.58	-45.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CN=CC=N1	REAL250004632109	1	39	-1.0	-48.53	308.04	2.59	-45.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=NC=C1F	REAL250004632110	0	34	-1.0	-46.28	287.10	3.62	-42.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=NC=C1F	REAL250004632110	1	34	-1.0	-46.25	287.05	3.61	-42.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCOC1COC1	REAL250004632111	0	40	-1.0	-42.56	323.87	1.94	-40.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCOC1COC1	REAL250004632111	1	40	-1.0	-42.57	323.93	1.96	-40.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC=C1Cl	REAL250004632112	0	32	-1.0	-36.70	279.46	4.78	-31.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC=C1Cl	REAL250004632112	1	32	-1.0	-36.73	279.52	4.77	-31.96
CCC(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)(C)C	REAL250004632113	0	49	-1.0	-43.12	352.49	6.72	-36.40
CCC(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)(C)C	REAL250004632113	1	49	-1.0	-43.12	352.54	6.73	-36.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(F)F)O1	REAL250004632114	0	35	-1.0	-42.39	299.87	4.83	-37.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(F)F)O1	REAL250004632114	1	35	-1.0	-42.38	299.93	4.85	-37.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(N)=O	REAL250004632115	0	35	-1.0	-44.16	285.22	0.05	-44.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(N)=O	REAL250004632115	1	35	-1.0	-44.19	285.27	0.07	-44.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N=CN1	REAL250004632116	0	34	-1.0	-54.52	280.56	2.06	-52.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N=CN1	REAL250004632116	1	34	-1.0	-54.51	280.62	2.08	-52.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCOC1=O	REAL250004632117	0	37	-1.0	-49.65	305.79	3.08	-46.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCOC1=O	REAL250004632117	1	37	-1.0	-49.59	305.85	3.10	-46.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C=NC=N1	REAL250004632118	0	40	-1.0	-54.61	329.26	6.54	-48.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C=NC=N1	REAL250004632118	1	40	-1.0	-54.61	329.20	6.52	-48.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCNC(=O)C1	REAL250004632119	0	41	-1.0	-50.69	320.83	-0.42	-51.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCNC(=O)C1	REAL250004632119	1	41	-1.0	-50.69	320.88	-0.41	-51.10
CCCC=CC(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632120	0	42	-1.0	-36.21	330.50	4.46	-31.75
CCCC=CC(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632120	1	42	-1.0	-36.20	330.55	4.47	-31.73
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(Cl)=NN1	REAL250004632121	0	35	-1.0	-48.62	304.76	2.71	-45.91
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(Cl)=NN1	REAL250004632121	1	35	-1.0	-48.59	304.82	2.73	-45.86
CC1=NC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004632122	0	37	-1.0	-48.80	307.97	1.91	-46.89
CC1=NC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004632122	1	37	-1.0	-48.79	308.03	1.92	-46.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CON=C1	REAL250004632123	0	34	-1.0	-45.08	285.60	3.72	-41.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CON=C1	REAL250004632123	1	34	-1.0	-45.08	285.54	3.70	-41.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C=O)S1	REAL250004632124	0	34	-1.0	-47.09	292.24	3.68	-43.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C=O)S1	REAL250004632124	1	34	-1.0	-47.09	292.30	3.69	-43.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CN=C1Cl	REAL250004632126	0	33	-1.0	-39.66	286.50	3.88	-35.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CN=C1Cl	REAL250004632126	1	33	-1.0	-39.66	286.45	3.87	-35.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C(=O)N1C	REAL250004632127	0	39	-1.0	-35.88	308.88	4.16	-31.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C(=O)N1C	REAL250004632127	1	39	-1.0	-35.92	308.93	4.18	-31.74
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1C	REAL250004632128	0	38	-1.0	-46.74	287.56	3.56	-43.18
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1C	REAL250004632128	1	38	-1.0	-46.71	287.62	3.57	-43.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@H]1C(N)=O	REAL250004632129	0	36	-1.0	-55.98	290.62	1.31	-54.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@H]1C(N)=O	REAL250004632129	1	36	-1.0	-55.98	290.67	1.32	-54.66
CCOC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632132	0	44	-1.0	-37.73	333.38	5.59	-32.14
CCOC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632132	1	44	-1.0	-37.72	333.41	5.60	-32.12
CC(=O)N[C@@H](C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632133	0	44	-1.0	-42.54	338.67	2.86	-39.68
CC(=O)N[C@@H](C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632133	1	44	-1.0	-42.49	338.73	2.88	-39.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](NC=O)C(C)C	REAL250004632134	0	41	-1.0	-42.18	313.78	1.80	-40.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](NC=O)C(C)C	REAL250004632134	1	41	-1.0	-42.20	313.85	1.81	-40.39
CC(=O)N1CCC[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632135	0	42	-1.0	-54.97	326.20	5.14	-49.83
CC(=O)N1CCC[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632135	1	42	-1.0	-54.97	326.26	5.15	-49.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)N(C)C	REAL250004632136	0	41	-1.0	-44.23	328.57	3.61	-40.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(=O)N(C)C	REAL250004632136	1	41	-1.0	-44.21	328.63	3.62	-40.59
CC1=CC=CC(O)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632137	0	39	-1.0	-45.62	308.15	3.65	-41.97
CC1=CC=CC(O)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632137	1	39	-1.0	-45.61	308.21	3.67	-41.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004632138	0	39	-1.0	-45.58	310.87	5.46	-40.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004632138	1	39	-1.0	-45.58	310.93	5.47	-40.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	REAL250004632139	0	40	-1.0	-60.57	320.11	1.34	-59.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	REAL250004632139	1	40	-1.0	-60.55	320.17	1.36	-59.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2CC2)C=N1	REAL250004632140	0	39	-1.0	-48.32	318.41	7.11	-41.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2CC2)C=N1	REAL250004632140	1	39	-1.0	-48.34	318.35	7.10	-41.24
CCC(NC(C)=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632141	0	41	-1.0	-38.00	319.21	2.45	-35.55
CCC(NC(C)=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632141	1	41	-1.0	-38.03	319.37	2.45	-35.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCC(=O)O1	REAL250004632142	0	35	-1.0	-44.95	285.31	4.61	-40.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC(=O)O1	REAL250004632142	1	35	-1.0	-44.92	285.37	4.63	-40.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC2(CC2)C1	REAL250004632143	0	40	-1.0	-40.52	317.75	5.94	-34.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC2(CC2)C1	REAL250004632143	1	40	-1.0	-40.50	317.80	5.96	-34.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC(=O)N1C	REAL250004632144	0	37	-1.0	-49.89	298.15	2.42	-47.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC(=O)N1C	REAL250004632144	1	37	-1.0	-49.87	298.21	2.43	-47.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C2C=CC=CN21	REAL250004632145	0	38	-1.0	-50.51	307.79	7.06	-43.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C2C=CC=CN21	REAL250004632145	1	38	-1.0	-50.52	307.73	7.05	-43.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CON=C1C(C)C	REAL250004632146	0	40	-1.0	-44.09	319.39	4.61	-39.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CON=C1C(C)C	REAL250004632146	1	40	-1.0	-44.10	319.45	4.62	-39.48
CC1=CC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004632147	0	38	-1.0	-44.94	305.05	5.01	-39.93
CC1=CC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004632147	1	38	-1.0	-44.94	305.10	5.02	-39.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC1CCCC2	REAL250004632148	0	42	-1.0	-39.26	311.03	6.35	-32.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC1CCCC2	REAL250004632148	1	42	-1.0	-39.26	311.08	6.37	-32.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(F)F)CCC1	REAL250004632149	0	38	-1.0	-44.20	293.61	4.35	-39.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(F)F)CCC1	REAL250004632149	1	38	-1.0	-44.20	293.69	4.34	-39.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12CCC[C@H]1OCC2	REAL250004632150	0	43	-1.0	-36.93	315.67	4.15	-32.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12CCC[C@H]1OCC2	REAL250004632150	1	43	-1.0	-36.92	315.76	4.16	-32.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(C)OC(C)C1C	REAL250004632151	0	45	-1.0	-44.62	332.63	4.24	-40.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(C)OC(C)C1C	REAL250004632151	1	45	-1.0	-44.62	332.69	4.25	-40.37
CCOC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632152	0	41	-1.0	-40.59	303.04	4.64	-35.95
CCOC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632152	1	41	-1.0	-40.61	303.08	4.63	-35.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C(F)F)=C1	REAL250004632153	0	35	-1.0	-43.64	295.01	4.23	-39.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C(F)F)=C1	REAL250004632153	1	35	-1.0	-43.64	295.07	4.24	-39.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C2CC2)C1	REAL250004632154	0	42	-1.0	-45.33	327.02	6.63	-38.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C2CC2)C1	REAL250004632154	1	42	-1.0	-45.34	327.08	6.64	-38.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CN1	REAL250004632155	0	35	-1.0	-49.47	288.18	3.73	-45.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CN1	REAL250004632155	1	35	-1.0	-49.44	288.24	3.74	-45.70
CC(=C(F)C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004632156	0	39	-1.0	-41.71	317.60	5.89	-35.82
CC(=C(F)C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004632156	1	39	-1.0	-41.67	317.66	5.90	-35.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC(=O)N1	REAL250004632157	0	36	-1.0	-37.83	289.36	1.41	-36.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC(=O)N1	REAL250004632157	1	36	-1.0	-37.87	289.42	1.42	-36.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCOCC1	REAL250004632158	0	39	-1.0	-34.81	299.39	3.39	-31.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCOCC1	REAL250004632158	1	39	-1.0	-34.82	299.44	3.40	-31.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(C)C1C1CC1	REAL250004632159	0	42	-1.0	-43.54	328.56	6.98	-36.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(C)C1C1CC1	REAL250004632159	1	42	-1.0	-43.54	328.62	7.00	-36.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC12CC2	REAL250004632160	0	42	-1.0	-44.35	323.75	6.39	-37.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC12CC2	REAL250004632160	1	42	-1.0	-44.37	323.81	6.40	-37.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC2CCC1C2	REAL250004632161	0	45	-1.0	-38.55	319.19	6.37	-32.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC2CCC1C2	REAL250004632161	1	45	-1.0	-38.57	319.24	6.38	-32.19
CCC(C#N)(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632162	0	41	-1.0	-33.28	307.85	4.90	-28.38
CCC(C#N)(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632162	1	41	-1.0	-33.29	307.88	4.92	-28.37
CC(=O)N1CCC[C@@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632163	0	42	-1.0	-51.64	324.89	3.85	-47.79
CC(=O)N1CCC[C@@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632163	1	42	-1.0	-51.63	324.94	3.85	-47.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN=N1	REAL250004632164	0	33	-1.0	-44.62	274.23	3.57	-41.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN=N1	REAL250004632164	1	33	-1.0	-44.61	274.16	3.57	-41.04
COC1=CC=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632165	0	38	-1.0	-52.15	307.87	5.44	-46.71
COC1=CC=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632165	1	38	-1.0	-52.15	307.81	5.43	-46.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)OC1C	REAL250004632166	0	42	-1.0	-44.87	321.84	4.26	-40.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)OC1C	REAL250004632166	1	42	-1.0	-44.88	321.90	4.27	-40.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CC1C1CC12	REAL250004632167	0	43	-1.0	-45.72	316.03	6.49	-39.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CC1C1CC12	REAL250004632167	1	43	-1.0	-45.75	316.08	6.51	-39.24
CCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C)=N1	REAL250004632168	0	41	-1.0	-44.38	333.62	4.67	-39.71
CCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C)=N1	REAL250004632168	1	41	-1.0	-44.41	333.67	4.68	-39.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C#N)N=C1	REAL250004632169	0	38	-1.0	-47.19	324.65	4.77	-42.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C#N)N=C1	REAL250004632169	1	38	-1.0	-47.17	324.59	4.76	-42.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(C)C(C)(C)C	REAL250004632170	0	49	-1.0	-47.03	334.53	6.21	-40.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(C)C(C)(C)C	REAL250004632170	1	49	-1.0	-47.02	334.58	6.22	-40.80
COCC=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632171	0	36	-1.0	-45.61	294.37	2.81	-42.80
COCC=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632171	1	36	-1.0	-45.63	294.42	2.82	-42.81
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCNC1=O	REAL250004632172	0	42	-1.0	-46.44	298.54	1.87	-44.57
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCNC1=O	REAL250004632172	1	42	-1.0	-46.40	298.60	1.88	-44.52
CC1=CN=C(F)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632173	0	37	-1.0	-38.37	301.25	4.03	-34.34
CC1=CN=C(F)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632173	1	37	-1.0	-38.34	301.18	4.02	-34.32
CC1=CC(F)=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632174	0	37	-1.0	-41.68	307.93	4.16	-37.52
CC1=CC(F)=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632174	1	37	-1.0	-41.65	307.99	4.18	-37.47
COC1=NSC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632175	0	35	-1.0	-44.25	303.57	1.11	-43.14
COC1=NSC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632175	1	35	-1.0	-44.20	303.53	1.10	-43.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C#N)=C1	REAL250004632176	0	33	-1.0	-33.53	284.71	4.05	-29.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C#N)=C1	REAL250004632176	1	33	-1.0	-33.55	284.75	4.06	-29.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(F)F)N=C1	REAL250004632177	0	35	-1.0	-37.28	296.35	3.37	-33.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(F)F)N=C1	REAL250004632177	1	35	-1.0	-37.30	296.29	3.36	-33.94
CCOCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632178	0	47	-1.0	-46.56	367.56	5.59	-40.97
CCOCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632178	1	47	-1.0	-46.53	367.62	5.60	-40.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=C1N	REAL250004632179	0	36	-1.0	-44.43	294.87	1.92	-42.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CC=C1N	REAL250004632179	1	36	-1.0	-44.46	294.81	1.90	-42.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCCOC1	REAL250004632180	0	40	-1.0	-46.42	310.00	3.22	-43.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCCOC1	REAL250004632180	1	40	-1.0	-46.40	310.06	3.23	-43.17
CC1=CON=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632181	0	34	-1.0	-46.44	277.46	4.14	-42.30
CC1=CON=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632181	1	34	-1.0	-46.41	277.40	4.14	-42.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1C1CC1C	REAL250004632182	0	42	-1.0	-44.67	327.82	6.87	-37.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1C1CC1C	REAL250004632182	1	42	-1.0	-44.69	327.88	6.88	-37.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1CC#N	REAL250004632183	0	39	-1.0	-45.80	324.44	6.44	-39.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1CC#N	REAL250004632183	1	39	-1.0	-45.78	324.49	6.45	-39.33
CCN1N=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL250004632184	0	41	-1.0	-43.51	316.40	4.46	-39.05
CCN1N=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL250004632184	1	41	-1.0	-43.49	316.45	4.45	-39.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1(C)CC1	REAL250004632185	0	37	-1.0	-47.40	302.77	5.70	-41.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1(C)CC1	REAL250004632185	1	37	-1.0	-47.79	305.03	5.80	-41.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCN1C	REAL250004632186	1	43	-1.0	-44.91	321.19	3.25	-41.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCN1C	REAL250004632186	1	43	-1.0	-44.87	321.24	3.27	-41.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CSC2)C1	REAL250004632187	0	40	-1.0	-45.26	324.49	5.99	-39.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CSC2)C1	REAL250004632187	1	40	-1.0	-45.30	324.55	6.00	-39.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(C)C)ON=C1	REAL250004632188	0	40	-1.0	-41.13	314.85	4.75	-36.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(C)C)ON=C1	REAL250004632188	1	40	-1.0	-41.18	314.91	4.76	-36.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1(C)N=N1	REAL250004632189	0	40	-1.0	-49.61	325.71	0.74	-48.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1(C)N=N1	REAL250004632189	1	40	-1.0	-49.60	325.77	0.76	-48.84
C=CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CC=C1	REAL250004632190	0	42	-1.0	-47.23	331.01	7.10	-40.13
C=CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CC=C1	REAL250004632190	1	42	-1.0	-47.24	331.07	7.12	-40.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC(=O)N(C)C	REAL250004632191	0	39	-1.0	-44.27	317.29	3.24	-41.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC(=O)N(C)C	REAL250004632191	1	39	-1.0	-44.29	317.35	3.25	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004632192	0	43	-1.0	-38.66	316.43	5.60	-33.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004632192	1	43	-1.0	-38.64	316.49	5.62	-33.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC=C1C1CC1	REAL250004632193	0	40	-1.0	-41.56	317.47	5.42	-36.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC=C1C1CC1	REAL250004632193	1	40	-1.0	-41.55	317.52	5.44	-36.11
CNC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004632194	0	39	-1.0	-43.46	313.71	4.02	-39.44
CNC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004632194	1	39	-1.0	-43.45	313.65	4.01	-39.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCN(C)C1=O	REAL250004632195	0	42	-1.0	-56.15	329.25	5.18	-50.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCN(C)C1=O	REAL250004632195	1	42	-1.0	-56.17	329.31	5.20	-50.97
CCC1CCCC1(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632196	0	47	-1.0	-46.94	331.90	6.57	-40.37
CCC1CCCC1(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632196	1	47	-1.0	-46.98	331.95	6.58	-40.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(F)C=N1	REAL250004632197	0	37	-1.0	-50.26	308.82	4.66	-45.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(F)C=N1	REAL250004632197	1	37	-1.0	-50.29	308.88	4.67	-45.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=C1N	REAL250004632198	0	37	-1.0	-42.31	297.68	3.23	-39.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=C1N	REAL250004632198	1	37	-1.0	-42.30	297.72	3.24	-39.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN2N=CC=C12	REAL250004632199	0	38	-1.0	-49.37	307.42	5.08	-44.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN2N=CC=C12	REAL250004632199	1	38	-1.0	-49.38	307.37	5.06	-44.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC(=O)CO	REAL250004632200	0	39	-1.0	-57.87	322.11	-0.47	-58.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC(=O)CO	REAL250004632200	1	39	-1.0	-57.86	322.17	-0.45	-58.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCNC1=O	REAL250004632201	0	39	-1.0	-60.45	308.27	2.76	-57.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCNC1=O	REAL250004632201	1	39	-1.0	-60.38	308.33	2.78	-57.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2C=CNC2=C1	REAL250004632202	0	38	-1.0	-52.41	306.68	3.15	-49.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2C=CNC2=C1	REAL250004632202	1	38	-1.0	-52.41	306.73	3.16	-49.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NN=C(N)S1	REAL250004632203	0	35	-1.0	-46.92	304.19	1.49	-45.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NN=C(N)S1	REAL250004632203	1	35	-1.0	-46.86	304.25	1.51	-45.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(N)=C1	REAL250004632204	0	36	-1.0	-37.74	290.70	2.25	-35.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(N)=C1	REAL250004632204	1	36	-1.0	-37.73	290.66	2.28	-35.45
CCCC(CC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632205	0	43	-1.0	-45.61	323.32	5.62	-39.99
CCCC(CC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632205	1	43	-1.0	-45.57	323.37	5.63	-39.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2(CC2)C12CC2	REAL250004632206	0	40	-1.0	-38.69	327.88	7.17	-31.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2(CC2)C12CC2	REAL250004632206	1	40	-1.0	-38.68	327.92	7.17	-31.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC=CCC1	REAL250004632207	0	42	-1.0	-44.24	314.85	6.09	-38.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC=CCC1	REAL250004632207	1	42	-1.0	-44.23	314.91	6.10	-38.13
CCN1C=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL250004632208	0	42	-1.0	-49.39	334.04	6.25	-43.14
CCN1C=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL250004632208	1	42	-1.0	-49.42	334.10	6.27	-43.15
CC1=COC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632209	0	35	-1.0	-44.59	284.89	4.29	-40.30
CC1=COC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632209	1	35	-1.0	-44.62	284.95	4.30	-40.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(F)(F)C1	REAL250004632210	0	38	-1.0	-41.21	297.88	5.00	-36.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(F)(F)C1	REAL250004632210	1	38	-1.0	-41.28	297.95	5.00	-36.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(OC(C)C)CCC1	REAL250004632211	0	45	-1.0	-42.98	336.70	4.93	-38.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(OC(C)C)CCC1	REAL250004632211	1	45	-1.0	-42.99	336.75	4.95	-38.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]1(C)CCC(=O)N1	REAL250004632212	0	39	-1.0	-35.83	291.53	2.01	-33.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]1(C)CCC(=O)N1	REAL250004632212	1	39	-1.0	-35.82	291.59	2.00	-33.82
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632213	0	41	-1.0	-49.22	319.91	5.67	-43.55
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632213	1	41	-1.0	-49.17	319.96	5.68	-43.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CSC=C1	REAL250004632214	0	36	-1.0	-45.06	307.58	5.62	-39.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CSC=C1	REAL250004632214	1	36	-1.0	-45.08	307.64	5.64	-39.44
CCC1=NN(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632215	0	41	-1.0	-32.46	316.50	2.72	-29.74
CCC1=NN(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632215	1	41	-1.0	-32.44	316.56	2.73	-29.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N)=CC=N1	REAL250004632216	0	36	-1.0	-42.81	289.49	3.14	-39.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N)=CC=N1	REAL250004632216	1	36	-1.0	-42.82	289.54	3.15	-39.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1C[C@H]1C1CC1	REAL250004632217	0	42	-1.0	-44.69	335.06	7.13	-37.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1C[C@H]1C1CC1	REAL250004632217	1	42	-1.0	-44.67	335.12	7.15	-37.52
C=CC(C)(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632218	0	41	-1.0	-42.45	309.51	5.53	-36.92
C=CC(C)(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632218	1	41	-1.0	-42.41	309.57	5.55	-36.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CC1	REAL250004632219	0	36	-1.0	-47.51	295.48	4.46	-43.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CC1	REAL250004632219	1	36	-1.0	-47.51	295.54	4.47	-43.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=CC=CC=N1	REAL250004632220	0	38	-1.0	-48.06	317.02	3.68	-44.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=CC=CC=N1	REAL250004632220	1	38	-1.0	-48.05	316.96	3.67	-44.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)C=CN1	REAL250004632221	0	35	-1.0	-35.78	285.99	3.86	-31.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)C=CN1	REAL250004632221	1	35	-1.0	-35.79	286.04	3.87	-31.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSN=C1	REAL250004632222	0	31	-1.0	-43.40	264.75	2.82	-40.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSN=C1	REAL250004632222	1	31	-1.0	-43.45	264.70	2.81	-40.64
CC1=CN(C)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632223	0	39	-1.0	-39.89	307.38	5.73	-34.16
CC1=CN(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632223	1	39	-1.0	-39.88	307.43	5.73	-34.15
COC1=NC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632224	0	37	-1.0	-43.50	306.44	2.04	-41.46
COC1=NC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632224	1	37	-1.0	-43.54	306.38	2.02	-41.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)O1	REAL250004632225	0	32	-1.0	-40.25	269.90	3.76	-36.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)O1	REAL250004632225	1	32	-1.0	-40.23	269.96	3.77	-36.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)CO1	REAL250004632226	0	39	-1.0	-46.66	304.60	4.44	-42.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)CO1	REAL250004632226	1	39	-1.0	-46.68	304.66	4.45	-42.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCO[C@H]1C1CC1	REAL250004632227	0	43	-1.0	-45.76	329.00	4.89	-40.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCO[C@H]1C1CC1	REAL250004632227	1	43	-1.0	-45.73	329.06	4.89	-40.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(O)=C1F	REAL250004632228	0	36	-1.0	-40.31	295.59	2.39	-37.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(O)=C1F	REAL250004632228	1	36	-1.0	-40.31	295.67	2.40	-37.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(Cl)CC1	REAL250004632229	0	41	-1.0	-45.40	316.83	6.27	-39.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(Cl)CC1	REAL250004632229	1	41	-1.0	-45.37	316.90	6.28	-39.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CS(=O)CCC1	REAL250004632230	0	38	-1.0	-59.01	301.29	2.30	-56.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CS(=O)CCC1	REAL250004632230	1	38	-1.0	-58.98	301.35	2.31	-56.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC(=O)N1C	REAL250004632231	0	42	-1.0	-46.92	320.78	3.70	-43.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(=O)N1C	REAL250004632231	1	42	-1.0	-46.97	320.84	3.71	-43.26
CCN1CCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632232	0	40	-1.0	-41.03	306.23	1.55	-39.48
CCN1CCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632232	1	40	-1.0	-41.07	306.29	1.57	-39.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=NSC=C1	REAL250004632233	0	35	-1.0	-46.76	303.84	2.60	-44.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=NSC=C1	REAL250004632233	1	35	-1.0	-46.78	303.78	2.59	-44.19
CCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004632234	0	37	-1.0	-42.42	304.64	5.20	-37.22
CCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004632234	1	37	-1.0	-42.45	304.70	5.21	-37.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(C)(C)CO1	REAL250004632235	0	45	-1.0	-46.10	345.22	5.28	-40.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(C)(C)CO1	REAL250004632235	1	45	-1.0	-46.10	345.28	5.29	-40.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CCC(F)C1	REAL250004632236	1	43	-1.0	-42.82	334.60	3.34	-39.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CCC(F)C1	REAL250004632236	1	43	-1.0	-42.83	334.66	3.36	-39.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(CO)=C1	REAL250004632237	0	38	-1.0	-39.03	306.16	0.95	-38.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(CO)=C1	REAL250004632237	1	38	-1.0	-38.95	306.16	0.97	-37.98
CC1=CC=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1O	REAL250004632238	0	38	-1.0	-48.01	309.50	4.10	-43.91
CC1=CC=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1O	REAL250004632238	1	38	-1.0	-48.01	309.55	4.11	-43.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCCO	REAL250004632240	0	41	-1.0	-47.53	323.45	2.22	-45.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCCO	REAL250004632240	1	41	-1.0	-47.57	323.51	2.23	-45.34
CCCCC(O)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632241	0	47	-1.0	-43.15	367.61	3.96	-39.19
CCCCC(O)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632241	1	47	-1.0	-43.15	367.67	3.97	-39.18
C=C1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632242	0	42	-1.0	-36.85	320.95	6.25	-30.60
C=C1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632242	1	42	-1.0	-36.83	321.01	6.26	-30.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC=CCCC1	REAL250004632243	0	45	-1.0	-37.83	328.44	6.84	-30.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC=CCCC1	REAL250004632243	1	45	-1.0	-37.84	328.51	6.85	-30.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1C1CC1	REAL250004632244	0	39	-1.0	-44.20	308.57	4.70	-39.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1C1CC1	REAL250004632244	1	39	-1.0	-44.24	308.51	4.68	-39.56
CC1=CN=C(F)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632245	0	37	-1.0	-36.86	309.66	4.22	-32.64
CC1=CN=C(F)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632245	1	37	-1.0	-36.84	309.60	4.20	-32.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCCO1	REAL250004632246	0	42	-1.0	-53.30	312.61	4.57	-48.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCCO1	REAL250004632246	1	42	-1.0	-53.26	312.67	4.57	-48.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1N=NC(N)=N1	REAL250004632247	0	35	-1.0	-49.28	297.20	1.99	-47.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1N=NC(N)=N1	REAL250004632247	1	35	-1.0	-49.26	297.14	1.98	-47.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NS1	REAL250004632248	0	31	-1.0	-42.43	262.81	2.48	-39.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NS1	REAL250004632248	1	31	-1.0	-42.37	262.75	2.47	-39.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CC2)CCC1	REAL250004632249	0	42	-1.0	-37.05	308.31	6.29	-30.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CC2)CCC1	REAL250004632249	1	42	-1.0	-37.07	308.38	6.29	-30.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CC2)CC1	REAL250004632250	0	39	-1.0	-35.67	284.04	5.59	-30.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CC2)CC1	REAL250004632250	1	39	-1.0	-35.63	284.25	5.58	-30.05
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCSC1	REAL250004632251	0	40	-1.0	-44.16	312.06	3.77	-40.39
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCSC1	REAL250004632251	1	40	-1.0	-44.10	312.12	3.78	-40.32
COC(=O)[C@@H]1C[C@@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632252	0	38	-1.0	-50.63	309.93	5.37	-45.26
COC(=O)[C@@H]1C[C@@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632252	1	38	-1.0	-50.64	309.99	5.39	-45.25
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632253	0	43	-1.0	-45.19	322.42	4.40	-40.79
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632253	1	43	-1.0	-45.19	322.45	4.41	-40.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(F)(F)C(F)F	REAL250004632254	0	34	-1.0	-51.05	294.73	4.53	-46.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(F)(F)C(F)F	REAL250004632254	1	34	-1.0	-51.05	294.79	4.55	-46.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1	REAL250004632255	0	42	-1.0	-56.12	325.73	1.59	-54.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1	REAL250004632255	1	42	-1.0	-56.08	325.79	1.60	-54.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC=CC[C@H]1C	REAL250004632256	0	42	-1.0	-44.88	313.97	5.99	-38.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC=CC[C@H]1C	REAL250004632256	1	42	-1.0	-44.84	314.03	6.01	-38.83
C#CCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632257	0	34	-1.0	-47.17	300.85	5.19	-41.98
C#CCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632257	1	34	-1.0	-47.20	300.91	5.21	-41.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=N1	REAL250004632258	0	33	-1.0	-51.29	275.83	4.07	-47.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CC=N1	REAL250004632258	1	33	-1.0	-51.29	275.77	4.06	-47.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C#N)SC=C1	REAL250004632259	0	33	-1.0	-38.60	283.96	4.64	-33.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C#N)SC=C1	REAL250004632259	1	33	-1.0	-38.60	284.02	4.64	-33.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CCC(=O)C21	REAL250004632260	0	38	-1.0	-43.44	297.20	4.49	-38.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CCC(=O)C21	REAL250004632260	1	38	-1.0	-43.39	297.26	4.51	-38.88
CC1=NOC(C)(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632261	0	39	-1.0	-48.13	305.25	3.58	-44.55
CC1=NOC(C)(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632261	1	39	-1.0	-48.13	305.31	3.59	-44.54
CCOC1C(C)C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632262	0	42	-1.0	-42.15	336.44	4.79	-37.36
CCOC1C(C)C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632262	1	42	-1.0	-42.20	336.50	4.80	-37.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=NN=N1	REAL250004632263	0	36	-1.0	-46.23	301.54	3.49	-42.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=NN=N1	REAL250004632263	1	36	-1.0	-46.24	301.48	3.47	-42.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1N=CC=C1N	REAL250004632264	0	37	-1.0	-50.30	304.26	2.38	-47.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1N=CC=C1N	REAL250004632264	1	37	-1.0	-50.31	304.20	2.36	-47.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCOCC1	REAL250004632265	0	43	-1.0	-41.67	326.03	2.20	-39.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCOCC1	REAL250004632265	1	43	-1.0	-41.72	326.08	2.22	-39.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC=CC2=N1	REAL250004632266	0	38	-1.0	-50.41	309.77	4.79	-45.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC=CC2=N1	REAL250004632266	1	38	-1.0	-50.42	309.82	4.81	-45.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12C[C@H]1CCC2	REAL250004632267	0	39	-1.0	-39.10	302.79	6.06	-33.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12C[C@H]1CCC2	REAL250004632267	1	39	-1.0	-39.12	302.89	6.07	-33.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN(C)C=N1	REAL250004632268	0	39	-1.0	-50.70	325.83	6.32	-44.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN(C)C=N1	REAL250004632268	1	39	-1.0	-50.69	325.89	6.33	-44.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC=CCC1	REAL250004632269	0	42	-1.0	-43.27	323.30	6.56	-36.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC=CCC1	REAL250004632269	1	42	-1.0	-43.31	323.35	6.58	-36.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C(C=O)=C1	REAL250004632271	0	37	-1.0	-47.16	306.18	3.67	-43.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C(C=O)=C1	REAL250004632271	1	37	-1.0	-47.12	306.11	3.68	-43.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2(CC1)N=N2	REAL250004632272	0	41	-1.0	-35.01	321.38	0.40	-34.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(CC1)N=N2	REAL250004632272	1	41	-1.0	-34.99	321.45	0.41	-34.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[C@@H]2C[C@@H]2CC1	REAL250004632273	0	45	-1.0	-44.42	322.91	6.54	-37.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[C@@H]2C[C@@H]2CC1	REAL250004632273	1	45	-1.0	-44.43	322.97	6.55	-37.88
C=C(CC(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632274	0	41	-1.0	-47.79	308.42	4.99	-42.80
C=C(CC(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632274	1	41	-1.0	-47.77	308.46	5.01	-42.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C=O)C=N1	REAL250004632275	0	36	-1.0	-47.72	303.61	4.64	-43.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C=O)C=N1	REAL250004632275	1	36	-1.0	-47.73	303.55	4.62	-43.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C(C=O)=C1	REAL250004632276	0	38	-1.0	-50.09	311.05	4.61	-45.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C(C=O)=C1	REAL250004632276	1	38	-1.0	-50.10	311.09	4.61	-45.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(C=O)=C1	REAL250004632277	0	36	-1.0	-47.83	297.59	2.98	-44.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(C=O)=C1	REAL250004632277	1	36	-1.0	-47.80	297.54	2.96	-44.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CN1C(C)C	REAL250004632278	0	41	-1.0	-46.09	322.68	6.48	-39.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CN1C(C)C	REAL250004632278	1	41	-1.0	-46.04	322.62	6.47	-39.57
CC1=CC=C(C#N)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632279	0	39	-1.0	-46.93	322.02	6.21	-40.72
CC1=CC=C(C#N)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632279	1	39	-1.0	-46.94	322.09	6.22	-40.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)C=CCC1	REAL250004632280	0	39	-1.0	-45.09	289.10	4.85	-40.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)C=CCC1	REAL250004632280	1	39	-1.0	-45.14	289.16	4.87	-40.27
CCCCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632281	0	44	-1.0	-48.40	322.49	6.34	-42.06
CCCCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632281	1	44	-1.0	-48.36	322.55	6.35	-42.01
CCC[C@H](O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632282	0	38	-1.0	-35.04	298.02	2.78	-32.26
CCC[C@H](O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632282	1	38	-1.0	-35.05	298.06	2.80	-32.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)CO	REAL250004632283	0	32	-1.0	-43.43	267.39	0.70	-42.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)CO	REAL250004632283	1	32	-1.0	-43.44	267.44	0.72	-42.72
CC1=NNC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632284	0	41	-1.0	-44.25	330.78	3.94	-40.31
CC1=NNC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632284	1	41	-1.0	-44.28	330.84	3.95	-40.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CO)N=C1	REAL250004632285	0	38	-1.0	-40.06	306.35	0.80	-39.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CO)N=C1	REAL250004632285	1	38	-1.0	-40.06	306.39	0.81	-39.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](NC(N)=O)C(C)C	REAL250004632286	0	43	-1.0	-43.11	325.25	0.40	-42.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](NC(N)=O)C(C)C	REAL250004632286	1	43	-1.0	-43.12	325.30	0.42	-42.70
C=C(CCC(=O)OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632287	0	41	-1.0	-45.36	323.66	4.62	-40.74
C=C(CCC(=O)OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632287	1	41	-1.0	-45.35	323.71	4.62	-40.73
CCOC=CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632289	0	36	-1.0	-43.83	294.20	3.40	-40.43
CCOC=CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632289	1	36	-1.0	-43.81	294.26	3.41	-40.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NC=CN1C	REAL250004632290	0	41	-1.0	-45.13	328.61	5.31	-39.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NC=CN1C	REAL250004632290	1	41	-1.0	-45.14	328.67	5.32	-39.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CCO)N=C1	REAL250004632291	0	39	-1.0	-40.33	315.95	0.69	-39.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CCO)N=C1	REAL250004632291	1	39	-1.0	-40.33	315.89	0.69	-39.64
CC1=COC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632292	0	34	-1.0	-48.40	280.04	0.76	-47.64
CC1=COC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632292	1	34	-1.0	-48.38	280.09	0.77	-47.61
CCC(C)(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632293	0	38	-1.0	-42.00	287.04	1.49	-40.51
CCC(C)(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632293	1	38	-1.0	-42.05	287.10	1.50	-40.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CC(C)(C)C	REAL250004632294	0	49	-1.0	-45.84	326.94	5.28	-40.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CC(C)(C)C	REAL250004632294	1	49	-1.0	-45.84	326.99	5.30	-40.54
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C=O)O1	REAL250004632295	0	37	-1.0	-38.08	298.32	4.74	-33.34
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C(C=O)O1	REAL250004632295	1	37	-1.0	-38.07	298.38	4.74	-33.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CNC=CC2=N1	REAL250004632296	0	38	-1.0	-66.60	313.21	4.78	-61.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CNC=CC2=N1	REAL250004632296	1	38	-1.0	-66.57	313.27	4.79	-61.78
C=CC(CC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632297	0	41	-1.0	-43.92	318.77	5.80	-38.12
C=CC(CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632297	1	41	-1.0	-43.93	318.83	5.81	-38.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CN2C=N1	REAL250004632298	0	38	-1.0	-42.55	310.79	8.48	-34.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CN2C=N1	REAL250004632298	1	38	-1.0	-42.57	310.73	8.47	-34.10
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632299	0	41	-1.0	-45.69	330.48	5.32	-40.37
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632299	1	41	-1.0	-45.68	330.54	5.34	-40.34
CC1=CC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL250004632300	0	40	-1.0	-46.58	325.86	5.12	-41.46
CC1=CC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL250004632300	1	40	-1.0	-46.53	325.91	5.14	-41.39
CCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=N1	REAL250004632302	0	37	-1.0	-46.19	305.27	3.54	-42.65
CCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=N1	REAL250004632302	1	37	-1.0	-46.17	305.20	3.53	-42.64
CC[C@@H]1OCC[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632303	0	42	-1.0	-43.87	321.83	3.96	-39.91
CC[C@@H]1OCC[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632303	1	42	-1.0	-43.88	321.88	3.98	-39.90
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC=N1	REAL250004632304	0	37	-1.0	-44.20	301.87	2.60	-41.60
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC=N1	REAL250004632304	1	37	-1.0	-44.20	301.81	2.59	-41.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CSCC(=O)N1	REAL250004632305	0	37	-1.0	-44.81	304.16	1.63	-43.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CSCC(=O)N1	REAL250004632305	1	37	-1.0	-44.81	304.21	1.65	-43.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)(C)C(F)F	REAL250004632307	0	40	-1.0	-41.14	313.71	5.39	-35.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)(C)C(F)F	REAL250004632307	1	40	-1.0	-41.12	313.77	5.40	-35.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCC(=O)N1C	REAL250004632308	0	39	-1.0	-40.81	302.14	3.18	-37.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC(=O)N1C	REAL250004632308	1	39	-1.0	-40.80	302.20	3.19	-37.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCC1F	REAL250004632309	0	41	-1.0	-49.35	313.11	5.71	-43.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCC1F	REAL250004632309	1	41	-1.0	-49.34	313.17	5.73	-43.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)C(C)(C)C1(C)C	REAL250004632310	0	47	-1.0	-46.29	332.35	6.09	-40.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)C(C)(C)C1(C)C	REAL250004632310	1	47	-1.0	-46.25	332.40	6.11	-40.14
CC1=CN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C)=C1	REAL250004632311	0	40	-1.0	-47.38	325.06	5.18	-42.20
CC1=CN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C)=C1	REAL250004632311	1	40	-1.0	-47.30	325.00	5.17	-42.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC=CC1	REAL250004632312	0	39	-1.0	-37.83	293.40	5.14	-32.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC=CC1	REAL250004632312	1	39	-1.0	-37.80	293.46	5.15	-32.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(C)C)COC1	REAL250004632313	0	42	-1.0	-48.27	305.11	2.70	-45.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(C)C)COC1	REAL250004632313	1	42	-1.0	-48.29	305.17	2.71	-45.58
CC1=CN=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C	REAL250004632314	0	40	-1.0	-47.15	318.96	6.10	-41.05
CC1=CN=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C	REAL250004632314	1	40	-1.0	-47.16	319.02	6.11	-41.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=CNN=C21	REAL250004632315	0	39	-1.0	-47.37	309.81	3.85	-43.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=CNN=C21	REAL250004632315	1	39	-1.0	-47.38	309.87	3.86	-43.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCOCC1	REAL250004632316	0	45	-1.0	-43.25	334.88	4.81	-38.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCOCC1	REAL250004632316	1	45	-1.0	-43.28	334.94	4.82	-38.46
C=CCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL250004632317	0	39	-1.0	-41.11	317.33	4.60	-36.51
C=CCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL250004632317	1	39	-1.0	-41.07	317.27	4.59	-36.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCC(C)CC1	REAL250004632318	0	47	-1.0	-38.59	324.97	6.34	-32.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCC(C)CC1	REAL250004632318	1	47	-1.0	-38.57	325.03	6.34	-32.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CC(C)C)COC1	REAL250004632319	0	45	-1.0	-39.04	330.96	3.96	-35.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CC(C)C)COC1	REAL250004632319	1	45	-1.0	-39.03	331.02	3.95	-35.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN(C)N=N1	REAL250004632320	0	37	-1.0	-59.66	306.59	2.85	-56.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN(C)N=N1	REAL250004632320	1	37	-1.0	-59.66	306.64	2.87	-56.79
CC1=NOC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632321	0	40	-1.0	-45.29	328.88	5.28	-40.01
CC1=NOC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632321	1	40	-1.0	-45.30	328.93	5.30	-40.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1C(C)(C)C1(C)C	REAL250004632322	0	47	-1.0	-45.67	350.68	6.85	-38.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C(C)(C)C1(C)C	REAL250004632322	1	47	-1.0	-45.73	350.74	6.87	-38.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC=C1N	REAL250004632323	0	37	-1.0	-36.80	308.78	3.57	-33.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC=C1N	REAL250004632323	1	37	-1.0	-36.81	308.84	3.58	-33.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CN=C1	REAL250004632324	0	36	-1.0	-46.25	297.28	4.26	-41.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CN=C1	REAL250004632324	1	36	-1.0	-46.28	297.22	4.24	-42.04
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN=N1	REAL250004632325	0	36	-1.0	-39.32	286.10	2.82	-36.50
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN=N1	REAL250004632325	1	36	-1.0	-39.37	286.15	2.82	-36.55
CC[C@H](C)[C@H](O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632326	0	41	-1.0	-43.88	311.68	2.16	-41.72
CC[C@H](C)[C@H](O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632326	1	41	-1.0	-43.87	311.74	2.18	-41.69
CC(C)CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632327	0	49	-1.0	-45.73	354.78	6.62	-39.11
CC(C)CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632327	1	49	-1.0	-45.77	354.83	6.65	-39.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(O)=C1	REAL250004632328	0	36	-1.0	-36.81	297.59	2.44	-34.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(O)=C1	REAL250004632328	1	36	-1.0	-36.82	297.62	2.43	-34.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)N1C=NN=N1	REAL250004632332	0	36	-1.0	-35.51	292.03	3.03	-32.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)N1C=NN=N1	REAL250004632332	1	36	-1.0	-35.50	291.96	3.05	-32.45
CNC(=O)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632333	0	38	-1.0	-44.27	310.16	1.64	-42.63
CNC(=O)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632333	1	38	-1.0	-44.26	310.21	1.66	-42.60
C=C(F)C1(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC1	REAL250004632334	0	42	-1.0	-44.75	325.30	6.09	-38.66
C=C(F)C1(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC1	REAL250004632334	1	42	-1.0	-44.80	325.35	6.10	-38.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(O)C1CCCC1	REAL250004632335	0	45	-1.0	-46.18	340.36	4.35	-41.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(O)C1CCCC1	REAL250004632335	1	45	-1.0	-46.16	340.42	4.36	-41.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1(C)CCCC1	REAL250004632336	0	45	-1.0	-47.49	344.14	6.13	-41.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1(C)CCCC1	REAL250004632336	1	45	-1.0	-47.50	344.20	6.15	-41.35
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1F	REAL250004632337	0	37	-1.0	-44.76	301.42	5.20	-39.56
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1F	REAL250004632337	1	37	-1.0	-44.76	301.37	5.19	-39.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004632338	0	40	-1.0	-42.94	302.60	4.02	-38.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004632338	1	40	-1.0	-42.89	302.66	4.04	-38.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CC1(C)C	REAL250004632339	0	44	-1.0	-44.03	342.85	6.85	-37.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CC1(C)C	REAL250004632339	1	44	-1.0	-44.06	342.92	6.87	-37.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCOC(C)(C)C1	REAL250004632340	0	45	-1.0	-37.14	333.61	4.57	-32.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCOC(C)(C)C1	REAL250004632340	1	45	-1.0	-37.17	333.67	4.58	-32.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC[C@H]1C1CC1	REAL250004632341	0	45	-1.0	-37.79	339.22	7.17	-30.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[C@H]1C1CC1	REAL250004632341	1	45	-1.0	-37.85	339.28	7.19	-30.66
COC1CCCC1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632342	0	42	-1.0	-43.64	326.44	4.15	-39.49
COC1CCCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632342	1	42	-1.0	-43.62	326.50	4.16	-39.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CCCC21	REAL250004632343	0	42	-1.0	-44.18	305.63	6.27	-37.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CCCC21	REAL250004632343	1	42	-1.0	-44.13	305.68	6.28	-37.85
COC(=O)[C@H]1C[C@@H](C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632344	0	41	-1.0	-51.62	329.56	5.20	-46.42
COC(=O)[C@H]1C[C@@H](C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632344	1	41	-1.0	-51.59	329.61	5.21	-46.38
CCC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CS1	REAL250004632345	0	37	-1.0	-46.03	311.95	4.94	-41.09
CCC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CS1	REAL250004632345	1	37	-1.0	-46.02	312.01	4.95	-41.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC=C1C1CC1	REAL250004632346	0	39	-1.0	-50.07	311.91	4.71	-45.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC=C1C1CC1	REAL250004632346	1	39	-1.0	-50.03	311.96	4.72	-45.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2CC2CC1	REAL250004632347	0	45	-1.0	-44.15	323.29	6.44	-37.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CC2CC1	REAL250004632347	1	45	-1.0	-44.13	323.35	6.45	-37.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC=CCC1	REAL250004632348	0	45	-1.0	-43.85	333.82	6.91	-36.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC=CCC1	REAL250004632348	1	45	-1.0	-43.88	333.89	6.93	-36.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCOCC1	REAL250004632349	0	40	-1.0	-47.33	293.72	3.42	-43.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCOCC1	REAL250004632349	1	40	-1.0	-47.33	293.77	3.45	-43.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCC(C)(C)C1	REAL250004632350	0	45	-1.0	-46.56	322.97	6.01	-40.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCC(C)(C)C1	REAL250004632350	1	45	-1.0	-46.55	323.03	6.02	-40.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CN=C1	REAL250004632351	0	38	-1.0	-45.40	312.26	4.88	-40.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CN=C1	REAL250004632351	1	38	-1.0	-45.39	312.31	4.90	-40.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2CC2)O1	REAL250004632352	0	39	-1.0	-40.58	319.76	6.39	-34.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2CC2)O1	REAL250004632352	1	39	-1.0	-40.59	319.80	6.41	-34.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1(C)CC1	REAL250004632353	0	41	-1.0	-43.25	318.24	5.97	-37.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1(C)CC1	REAL250004632353	1	41	-1.0	-43.25	318.30	5.98	-37.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C=O)=C1	REAL250004632354	0	34	-1.0	-47.72	284.34	3.53	-44.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C=O)=C1	REAL250004632354	1	34	-1.0	-47.70	284.39	3.55	-44.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C(N)O1	REAL250004632355	0	33	-1.0	-39.06	276.88	-1.19	-40.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C(N)O1	REAL250004632355	1	33	-1.0	-39.06	276.82	-1.20	-40.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC1F	REAL250004632356	0	35	-1.0	-50.73	281.61	4.57	-46.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC1F	REAL250004632356	1	35	-1.0	-50.73	281.67	4.58	-46.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004632357	0	43	-1.0	-46.01	318.82	6.55	-39.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004632357	1	43	-1.0	-45.99	318.89	6.55	-39.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CC2CC1C	REAL250004632358	0	45	-1.0	-43.52	337.27	6.78	-36.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CC2CC1C	REAL250004632358	1	45	-1.0	-43.57	337.33	6.80	-36.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)C=CC1=O	REAL250004632359	0	38	-1.0	-56.31	307.40	3.92	-52.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)C=CC1=O	REAL250004632359	1	38	-1.0	-56.27	307.47	3.93	-52.34
CCC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN1	REAL250004632360	0	38	-1.0	-45.30	302.31	4.91	-40.39
CCC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN1	REAL250004632360	1	38	-1.0	-45.28	302.36	4.90	-40.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CC=C1	REAL250004632361	0	39	-1.0	-45.46	321.34	6.86	-38.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CC=C1	REAL250004632361	1	39	-1.0	-45.45	321.40	6.88	-38.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1O	REAL250004632362	1	36	-1.0	-36.90	295.25	3.47	-33.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1O	REAL250004632362	1	36	-1.0	-36.94	295.32	3.47	-33.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004632363	0	45	-1.0	-46.33	327.44	6.70	-39.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004632363	1	45	-1.0	-46.36	327.50	6.71	-39.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CO)C=N1	REAL250004632364	0	38	-1.0	-48.26	313.16	2.20	-46.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CO)C=N1	REAL250004632364	1	38	-1.0	-48.26	313.10	2.19	-46.07
CC1=NOC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632365	0	37	-1.0	-45.85	307.32	4.30	-41.55
CC1=NOC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632365	1	37	-1.0	-45.86	307.38	4.31	-41.55
CCN1C(=O)NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632366	0	39	-1.0	-46.90	308.29	2.64	-44.26
CCN1C(=O)NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632366	1	39	-1.0	-46.92	308.35	2.66	-44.26
CNC1=NC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632367	0	39	-1.0	-43.94	314.67	3.46	-40.48
CNC1=NC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632367	1	39	-1.0	-43.90	314.73	3.48	-40.42
COC1(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632368	0	39	-1.0	-46.78	310.56	3.59	-43.19
COC1(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632368	1	39	-1.0	-46.76	310.62	3.61	-43.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC2CC2C1	REAL250004632369	0	45	-1.0	-43.81	338.13	7.20	-36.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC2CC2C1	REAL250004632369	1	45	-1.0	-43.79	338.19	7.21	-36.58
CC1=NSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632370	0	34	-1.0	-42.81	282.34	3.14	-39.67
CC1=NSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632370	1	34	-1.0	-42.83	282.39	3.15	-39.68
C=C(CCC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632371	0	38	-1.0	-36.59	288.21	4.88	-31.71
C=C(CCC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632371	1	38	-1.0	-36.58	288.24	4.89	-31.69
C#CC1(O)CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632372	0	38	-1.0	-47.53	310.41	2.13	-45.40
C#CC1(O)CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632372	1	38	-1.0	-47.57	310.46	2.15	-45.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CC=CN2C=N1	REAL250004632373	0	38	-1.0	-50.00	311.18	8.18	-41.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CC=CN2C=N1	REAL250004632373	1	38	-1.0	-50.01	311.11	8.16	-41.85
CCOCCOCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632375	0	45	-1.0	-44.03	358.54	3.48	-40.55
CCOCCOCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632375	1	45	-1.0	-44.03	358.60	3.50	-40.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1CF	REAL250004632376	0	35	-1.0	-49.52	276.96	4.44	-45.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1CF	REAL250004632376	1	35	-1.0	-49.51	277.02	4.46	-45.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1CCCO1	REAL250004632377	0	43	-1.0	-43.92	336.73	5.22	-38.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1CCCO1	REAL250004632377	1	43	-1.0	-43.94	336.78	5.23	-38.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CF	REAL250004632378	0	37	-1.0	-35.99	280.07	4.50	-31.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CF	REAL250004632378	1	37	-1.0	-35.99	280.11	4.51	-31.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCNC(=O)C1	REAL250004632379	0	42	-1.0	-51.00	307.63	1.75	-49.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCNC(=O)C1	REAL250004632379	1	42	-1.0	-50.96	307.68	1.76	-49.20
CC1=CSC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632380	0	38	-1.0	-44.79	320.68	6.02	-38.77
CC1=CSC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632380	1	38	-1.0	-44.83	320.73	6.03	-38.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1CCCOC1	REAL250004632381	0	41	-1.0	-46.45	326.92	4.61	-41.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1CCCOC1	REAL250004632381	1	41	-1.0	-46.54	324.10	4.55	-41.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC=CCO1	REAL250004632383	0	37	-1.0	-46.12	291.29	4.33	-41.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC=CCO1	REAL250004632383	1	37	-1.0	-46.07	291.34	4.34	-41.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(F)C1	REAL250004632384	0	38	-1.0	-44.30	305.09	5.47	-38.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(F)C1	REAL250004632384	1	38	-1.0	-44.26	305.15	5.49	-38.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CC2(F)F)C1	REAL250004632385	0	39	-1.0	-41.81	320.11	6.07	-35.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CC2(F)F)C1	REAL250004632385	1	39	-1.0	-41.84	320.17	6.09	-35.75
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC(C=O)=C1	REAL250004632386	0	38	-1.0	-42.94	308.58	4.66	-38.28
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)NC(C=O)=C1	REAL250004632386	1	38	-1.0	-42.93	308.63	4.68	-38.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCS1(=O)=O	REAL250004632387	0	35	-1.0	-57.83	294.21	1.65	-56.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCS1(=O)=O	REAL250004632387	1	35	-1.0	-57.88	294.27	1.66	-56.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(O)C1CC1	REAL250004632388	0	39	-1.0	-46.28	311.84	2.95	-43.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(O)C1CC1	REAL250004632388	1	39	-1.0	-46.32	311.90	2.96	-43.36
CC1=NSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1N	REAL250004632389	0	36	-1.0	-43.41	290.63	1.30	-42.11
CC1=NSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1N	REAL250004632389	1	36	-1.0	-43.43	290.69	1.31	-42.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1C1CC1	REAL250004632390	0	42	-1.0	-46.33	334.52	7.48	-38.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1C1CC1	REAL250004632390	1	42	-1.0	-46.35	334.57	7.49	-38.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=NC=CS1	REAL250004632391	0	35	-1.0	-43.89	305.01	4.00	-39.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=NC=CS1	REAL250004632391	1	35	-1.0	-43.91	305.07	4.02	-39.89
COC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CS1	REAL250004632392	0	36	-1.0	-49.25	308.08	3.75	-45.50
COC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CS1	REAL250004632392	1	36	-1.0	-49.25	308.14	3.76	-45.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(F)(F)C12CCC2	REAL250004632393	0	39	-1.0	-41.63	320.17	6.22	-35.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(F)(F)C12CCC2	REAL250004632393	1	39	-1.0	-41.63	320.23	6.23	-35.40
C=C(C)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632394	0	41	-1.0	-44.17	327.96	6.10	-38.07
C=C(C)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632394	1	41	-1.0	-44.19	328.02	6.11	-38.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC=CC1	REAL250004632395	0	37	-1.0	-33.39	294.32	4.89	-28.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC=CC1	REAL250004632395	1	37	-1.0	-33.42	294.37	4.91	-28.51
CCCC(C(=O)OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632396	0	43	-1.0	-47.31	343.29	5.25	-42.06
CCCC(C(=O)OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632396	1	43	-1.0	-47.25	343.35	5.27	-41.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC[N+](=O)[O-]	REAL250004632397	0	36	-1.0	-49.65	298.14	4.40	-45.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC[N+](=O)[O-]	REAL250004632397	1	36	-1.0	-49.66	298.19	4.42	-45.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C)(C)C1	REAL250004632398	0	39	-1.0	-44.76	305.50	5.47	-39.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C)(C)C1	REAL250004632398	1	39	-1.0	-44.75	305.56	5.50	-39.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1CCCCC1	REAL250004632399	0	43	-1.0	-44.09	340.95	7.14	-36.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1CCCCC1	REAL250004632399	1	43	-1.0	-44.43	342.06	7.19	-37.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC=C1Cl	REAL250004632400	0	32	-1.0	-48.26	281.73	3.04	-45.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC=C1Cl	REAL250004632400	1	32	-1.0	-48.33	281.79	3.06	-45.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1(O)CCC1	REAL250004632401	0	40	-1.0	-40.64	307.48	-0.01	-40.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1(O)CCC1	REAL250004632401	1	40	-1.0	-40.64	307.54	0.00	-40.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CO)CCCO1	REAL250004632402	0	40	-1.0	-46.19	304.61	1.24	-44.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CO)CCCO1	REAL250004632402	1	40	-1.0	-46.17	304.66	1.25	-44.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CO)CCC1	REAL250004632404	0	39	-1.0	-49.01	288.71	2.36	-46.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CO)CCC1	REAL250004632404	1	39	-1.0	-48.97	288.77	2.38	-46.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)C(C)O	REAL250004632405	0	35	-1.0	-41.48	285.64	2.13	-39.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)C(C)O	REAL250004632405	1	35	-1.0	-41.48	285.70	2.14	-39.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CN1C=CN=C1	REAL250004632406	0	41	-1.0	-43.37	319.35	5.83	-37.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CN1C=CN=C1	REAL250004632406	1	41	-1.0	-43.43	319.40	5.85	-37.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1CCCO1	REAL250004632407	0	45	-1.0	-42.51	324.42	4.94	-37.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1CCCO1	REAL250004632407	1	45	-1.0	-42.51	324.46	4.97	-37.54
C=C(C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632408	0	38	-1.0	-43.05	306.46	5.32	-37.73
C=C(C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632408	1	38	-1.0	-43.04	306.52	5.33	-37.71
CCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632409	0	43	-1.0	-45.02	313.22	5.12	-39.90
CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632409	1	43	-1.0	-45.01	313.27	5.13	-39.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=CC=NN21	REAL250004632410	0	38	-1.0	-46.79	305.36	4.88	-41.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=CC=NN21	REAL250004632410	1	38	-1.0	-46.74	305.29	4.85	-41.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC2=C1COC2	REAL250004632411	0	37	-1.0	-38.79	300.13	2.99	-35.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC2=C1COC2	REAL250004632411	1	37	-1.0	-38.82	300.18	2.99	-35.83
C=CCC1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632412	0	42	-1.0	-45.24	335.83	7.21	-38.03
C=CCC1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632412	1	42	-1.0	-45.22	335.88	7.23	-37.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(C#N)C=N1	REAL250004632413	0	36	-1.0	-49.56	308.91	4.05	-45.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(C#N)C=N1	REAL250004632413	1	36	-1.0	-49.55	308.86	4.03	-45.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CON=C1	REAL250004632414	0	37	-1.0	-43.32	306.99	4.53	-38.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CON=C1	REAL250004632414	1	37	-1.0	-43.33	306.93	4.51	-38.82
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1C	REAL250004632415	0	38	-1.0	-45.33	302.86	4.63	-40.70
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1C	REAL250004632415	1	38	-1.0	-45.37	302.92	4.63	-40.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CCOCC21	REAL250004632416	0	40	-1.0	-43.89	314.66	4.18	-39.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CCOCC21	REAL250004632416	1	40	-1.0	-43.89	314.72	4.20	-39.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)CC1CC1	REAL250004632417	0	38	-1.0	-39.92	307.08	5.76	-34.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)CC1CC1	REAL250004632417	1	38	-1.0	-39.89	307.14	5.78	-34.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1CCCO1	REAL250004632418	0	38	-1.0	-47.31	313.10	4.04	-43.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1CCCO1	REAL250004632418	1	38	-1.0	-47.31	313.16	4.05	-43.26
COC1=NOC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632419	0	38	-1.0	-47.13	315.51	1.81	-45.32
COC1=NOC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632419	1	38	-1.0	-47.16	315.57	1.83	-45.33
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C)O1	REAL250004632420	0	41	-1.0	-45.18	329.67	5.63	-39.55
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C(C)O1	REAL250004632420	1	41	-1.0	-45.13	329.72	5.65	-39.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)N1	REAL250004632421	0	33	-1.0	-33.86	282.87	4.78	-29.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)N1	REAL250004632421	1	33	-1.0	-33.88	282.91	4.79	-29.09
CC1=C(C)NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632422	0	39	-1.0	-38.21	303.01	5.55	-32.66
CC1=C(C)NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632422	1	39	-1.0	-38.17	303.07	5.55	-32.62
CCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL250004632423	0	41	-1.0	-38.84	317.88	5.92	-32.92
CCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL250004632423	1	41	-1.0	-38.88	317.93	5.92	-32.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCOC1C	REAL250004632424	0	39	-1.0	-39.37	303.29	3.12	-36.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCOC1C	REAL250004632424	1	39	-1.0	-39.36	303.35	3.13	-36.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)COC1	REAL250004632425	0	34	-1.0	-46.34	261.27	-0.29	-46.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)COC1	REAL250004632425	1	34	-1.0	-46.36	261.33	-0.28	-46.64
CCC(C)(C)CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632426	0	49	-1.0	-43.79	362.99	7.06	-36.73
CCC(C)(C)CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632426	1	49	-1.0	-43.76	363.05	7.08	-36.68
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=N1	REAL250004632427	0	37	-1.0	-38.64	301.09	2.02	-36.62
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=N1	REAL250004632427	1	37	-1.0	-38.62	301.16	2.03	-36.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCS1	REAL250004632428	0	34	-1.0	-45.77	273.28	3.85	-41.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCS1	REAL250004632428	1	34	-1.0	-45.76	273.33	3.86	-41.90
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632429	0	41	-1.0	-43.64	315.18	5.70	-37.94
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632429	1	41	-1.0	-43.64	315.24	5.71	-37.93
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=CS1	REAL250004632430	0	34	-1.0	-41.27	287.98	4.81	-36.46
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=CS1	REAL250004632430	1	34	-1.0	-41.23	287.94	4.78	-36.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(C)(C)C1	REAL250004632431	0	44	-1.0	-36.91	318.53	6.07	-30.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(C)(C)C1	REAL250004632431	1	44	-1.0	-36.97	318.58	6.07	-30.90
CSC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632432	0	41	-1.0	-44.32	313.25	5.02	-39.30
CSC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632432	1	41	-1.0	-44.30	313.31	5.03	-39.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(F)C1	REAL250004632433	0	35	-1.0	-36.49	283.54	4.89	-31.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(F)C1	REAL250004632433	1	35	-1.0	-36.52	283.59	4.89	-31.63
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(C)=N1	REAL250004632434	0	40	-1.0	-35.67	317.75	4.71	-30.96
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(C)=N1	REAL250004632434	1	40	-1.0	-35.71	317.81	4.72	-30.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(CC1=O)C2	REAL250004632435	0	41	-1.0	-47.94	307.98	5.22	-42.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(CC1=O)C2	REAL250004632435	1	41	-1.0	-47.96	308.04	5.22	-42.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCCOC1	REAL250004632436	0	43	-1.0	-47.89	327.87	2.37	-45.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCCOC1	REAL250004632436	1	43	-1.0	-47.88	327.93	2.38	-45.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC=C1C#N	REAL250004632437	0	33	-1.0	-45.56	286.47	3.27	-42.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC=C1C#N	REAL250004632437	1	33	-1.0	-45.57	286.53	3.27	-42.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=COC=N1	REAL250004632438	0	35	-1.0	-47.73	299.21	1.68	-46.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=COC=N1	REAL250004632438	1	35	-1.0	-47.77	299.28	1.70	-46.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NNC=C1	REAL250004632439	0	38	-1.0	-45.25	310.05	3.42	-41.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NNC=C1	REAL250004632439	1	38	-1.0	-45.25	310.10	3.44	-41.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(C)C1	REAL250004632440	0	41	-1.0	-37.72	299.14	5.62	-32.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(C)C1	REAL250004632440	1	41	-1.0	-37.71	299.20	5.61	-32.10
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCO1	REAL250004632441	0	43	-1.0	-46.12	326.85	3.61	-42.51
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCO1	REAL250004632441	1	43	-1.0	-46.13	326.91	3.62	-42.51
CCC1=CNC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632442	0	39	-1.0	-41.02	308.29	4.72	-36.30
CCC1=CNC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632442	1	39	-1.0	-41.01	308.35	4.74	-36.27
C#CC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL250004632443	0	40	-1.0	-37.60	298.78	5.98	-31.62
C#CC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL250004632443	1	40	-1.0	-37.63	298.83	5.97	-31.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(C#N)C1	REAL250004632444	0	39	-1.0	-41.89	299.37	4.89	-37.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(C#N)C1	REAL250004632444	1	39	-1.0	-41.95	299.43	4.90	-37.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CO)CC1	REAL250004632445	0	36	-1.0	-51.22	283.42	1.07	-50.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CO)CC1	REAL250004632445	1	36	-1.0	-51.27	283.47	1.09	-50.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCOC1	REAL250004632446	0	40	-1.0	-44.13	309.43	1.16	-42.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCOC1	REAL250004632446	1	40	-1.0	-44.18	309.49	1.18	-43.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC(=O)N(C)C	REAL250004632447	0	39	-1.0	-44.27	317.29	3.24	-41.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC(=O)N(C)C	REAL250004632447	1	39	-1.0	-44.29	317.35	3.25	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC(=O)NC1CC1	REAL250004632448	0	40	-1.0	-43.57	330.93	3.00	-40.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC(=O)NC1CC1	REAL250004632448	1	40	-1.0	-43.60	330.98	3.02	-40.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CNN=C1	REAL250004632449	0	35	-1.0	-47.55	288.66	2.72	-44.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CNN=C1	REAL250004632449	1	35	-1.0	-47.55	288.71	2.73	-44.82
CC1=CN(C(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL250004632450	0	41	-1.0	-45.46	326.33	4.58	-40.88
CC1=CN(C(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL250004632450	1	41	-1.0	-45.43	326.27	4.56	-40.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=NOC=C1	REAL250004632451	0	35	-1.0	-48.23	297.42	2.35	-45.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=NOC=C1	REAL250004632451	1	35	-1.0	-48.23	297.36	2.34	-45.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(N2C=CN=N2)CC1	REAL250004632452	0	38	-1.0	-41.70	310.35	3.72	-37.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(N2C=CN=N2)CC1	REAL250004632452	1	38	-1.0	-41.70	310.29	3.71	-37.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(CC1)CC2	REAL250004632453	0	45	-1.0	-39.12	318.93	6.31	-32.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(CC1)CC2	REAL250004632453	1	45	-1.0	-39.13	318.97	6.32	-32.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL250004632454	0	43	-1.0	-39.80	315.12	4.42	-35.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL250004632454	1	43	-1.0	-39.81	315.16	4.42	-35.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(CO)CCC1	REAL250004632455	0	42	-1.0	-43.14	322.74	2.43	-40.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(CO)CCC1	REAL250004632455	1	42	-1.0	-43.12	322.79	2.44	-40.68
CCC(CCOC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632456	0	44	-1.0	-46.51	341.72	4.15	-42.36
CCC(CCOC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632456	1	44	-1.0	-46.50	341.78	4.16	-42.34
CC1=NC(N)=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632457	0	38	-1.0	-42.33	307.33	3.09	-39.24
CC1=NC(N)=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632457	1	38	-1.0	-42.40	307.38	3.11	-39.29
C=C(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)C	REAL250004632458	0	38	-1.0	-39.24	266.70	4.60	-34.64
C=C(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)C	REAL250004632458	1	38	-1.0	-39.19	266.78	4.59	-34.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=NN1C	REAL250004632459	0	38	-1.0	-46.22	309.07	3.76	-42.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=NN1C	REAL250004632459	1	38	-1.0	-46.27	309.13	3.77	-42.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C#CC1(C)CCCO1	REAL250004632460	0	41	-1.0	-47.16	330.17	4.54	-42.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C#CC1(C)CCCO1	REAL250004632460	1	41	-1.0	-47.16	330.23	4.56	-42.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CSC(=O)N1	REAL250004632461	0	34	-1.0	-46.94	289.51	0.96	-45.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CSC(=O)N1	REAL250004632461	1	34	-1.0	-46.94	289.57	0.98	-45.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC(C(N)=O)=C1	REAL250004632462	0	36	-1.0	-44.05	302.41	-0.55	-44.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC(C(N)=O)=C1	REAL250004632462	1	36	-1.0	-44.02	302.47	-0.54	-44.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(O)C1(C)C	REAL250004632463	0	45	-1.0	-46.47	344.09	3.19	-43.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(O)C1(C)C	REAL250004632463	1	45	-1.0	-46.44	344.15	3.20	-43.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2(C1)CCOC2	REAL250004632464	0	41	-1.0	-37.50	319.86	4.44	-33.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2(C1)CCOC2	REAL250004632464	1	41	-1.0	-37.52	319.91	4.45	-33.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1CCF	REAL250004632465	0	38	-1.0	-44.34	300.36	3.98	-40.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1CCF	REAL250004632465	1	38	-1.0	-44.35	300.30	3.97	-40.38
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=CS1	REAL250004632466	0	37	-1.0	-45.97	308.63	5.16	-40.81
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=CS1	REAL250004632466	1	37	-1.0	-45.95	308.57	5.15	-40.80
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCO1	REAL250004632467	0	37	-1.0	-38.38	284.12	3.68	-34.70
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCO1	REAL250004632467	1	37	-1.0	-38.39	284.17	3.68	-34.71
CCCN1C=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632468	0	41	-1.0	-45.09	328.09	5.79	-39.30
CCCN1C=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632468	1	41	-1.0	-45.09	328.04	5.79	-39.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)CC(F)(F)F	REAL250004632469	0	37	-1.0	-40.81	295.64	4.89	-35.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)CC(F)(F)F	REAL250004632469	1	37	-1.0	-40.82	295.71	4.91	-35.91
CCN1C=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632470	0	39	-1.0	-48.27	297.54	5.46	-42.81
CCN1C=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632470	1	39	-1.0	-48.26	297.59	5.48	-42.78
CC(=CN1C=CN=N1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632471	0	38	-1.0	-43.52	304.20	4.10	-39.42
CC(=CN1C=CN=N1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632471	1	38	-1.0	-43.53	304.22	4.11	-39.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)=CC1CC1	REAL250004632472	0	36	-1.0	-41.28	297.36	5.44	-35.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)=CC1CC1	REAL250004632472	1	36	-1.0	-41.29	297.41	5.45	-35.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250004632473	0	39	-1.0	-42.04	311.20	6.04	-36.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250004632473	1	39	-1.0	-42.06	311.26	6.05	-36.01
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N(C)C=N1	REAL250004632474	0	38	-1.0	-37.02	296.41	4.49	-32.53
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N(C)C=N1	REAL250004632474	1	38	-1.0	-36.99	296.47	4.49	-32.50
COC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632475	0	36	-1.0	-41.59	293.89	0.24	-41.35
COC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632475	1	36	-1.0	-41.56	293.94	0.26	-41.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1NC(=O)CC1C	REAL250004632476	0	39	-1.0	-48.21	304.02	1.41	-46.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1NC(=O)CC1C	REAL250004632476	1	39	-1.0	-48.20	304.07	1.42	-46.78
COCC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632477	0	38	-1.0	-41.94	312.91	2.60	-39.34
COCC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632477	1	38	-1.0	-41.95	312.97	2.62	-39.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC12CCC2	REAL250004632478	0	40	-1.0	-46.09	318.02	5.64	-40.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC12CCC2	REAL250004632478	1	40	-1.0	-46.09	318.08	5.66	-40.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(C1)CCOC2	REAL250004632479	0	43	-1.0	-46.08	331.01	4.34	-41.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(C1)CCOC2	REAL250004632479	1	43	-1.0	-46.06	331.07	4.35	-41.71
CCC1(CC)CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632480	0	47	-1.0	-45.15	349.24	6.75	-38.40
CCC1(CC)CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632480	1	47	-1.0	-45.12	349.30	6.77	-38.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1N=CN=N1	REAL250004632481	0	33	-1.0	-48.29	279.14	2.38	-45.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1N=CN=N1	REAL250004632481	1	33	-1.0	-48.26	279.08	2.36	-45.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL250004632482	0	45	-1.0	-38.56	334.86	7.11	-31.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL250004632482	1	45	-1.0	-38.57	334.92	7.11	-31.46
CC(C)=CCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632483	0	41	-1.0	-43.88	320.55	5.96	-37.92
CC(C)=CCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632483	1	41	-1.0	-43.86	320.61	5.98	-37.88
COC1=CC=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632484	0	38	-1.0	-42.72	298.28	3.21	-39.51
COC1=CC=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632484	1	38	-1.0	-42.71	298.35	3.21	-39.50
CC(=O)OCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632485	0	40	-1.0	-46.69	329.07	5.07	-41.62
CC(=O)OCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632485	1	40	-1.0	-46.73	329.12	5.08	-41.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(CCF)C=C1	REAL250004632486	0	38	-1.0	-48.61	312.11	4.81	-43.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(CCF)C=C1	REAL250004632486	1	38	-1.0	-48.62	312.05	4.80	-43.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCC(=O)C1	REAL250004632487	0	40	-1.0	-37.38	295.42	4.56	-32.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCC(=O)C1	REAL250004632487	1	40	-1.0	-37.38	295.49	4.56	-32.82
CC1=NC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL250004632488	0	37	-1.0	-44.96	315.51	4.21	-40.75
CC1=NC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL250004632488	1	37	-1.0	-44.98	315.57	4.22	-40.76
CC(=O)CC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632489	0	42	-1.0	-39.67	311.06	5.01	-34.66
CC(=O)CC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632489	1	42	-1.0	-39.66	311.10	5.02	-34.64
CC1=CNC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632490	0	41	-1.0	-47.19	330.26	4.28	-42.91
CC1=CNC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632490	1	41	-1.0	-47.16	330.32	4.29	-42.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)N1C=NN=N1	REAL250004632491	0	39	-1.0	-46.31	300.47	3.70	-42.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)N1C=NN=N1	REAL250004632491	1	39	-1.0	-46.28	300.43	3.70	-42.58
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC=CC1	REAL250004632492	0	43	-1.0	-49.16	324.41	3.98	-45.18
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC=CC1	REAL250004632492	1	43	-1.0	-49.13	324.46	4.00	-45.13
CCCC(CC)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632493	0	46	-1.0	-43.70	342.59	6.64	-37.06
CCCC(CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632493	1	46	-1.0	-43.65	342.64	6.65	-37.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(F)(F)C12CC2	REAL250004632494	0	36	-1.0	-42.28	306.15	5.73	-36.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(F)(F)C12CC2	REAL250004632494	1	36	-1.0	-42.30	306.20	5.74	-36.56
C=CCOC(=O)NCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632495	0	40	-1.0	-41.91	331.86	1.76	-40.15
C=CCOC(=O)NCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632495	1	40	-1.0	-41.93	331.92	1.77	-40.16
COCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=C1	REAL250004632496	0	39	-1.0	-44.54	320.20	3.64	-40.90
COCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=C1	REAL250004632496	1	39	-1.0	-44.55	320.25	3.66	-40.89
COC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632497	0	38	-1.0	-39.58	305.14	2.62	-36.96
COC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632497	1	38	-1.0	-39.57	305.11	2.62	-36.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@H]1COC(=O)N1	REAL250004632498	0	37	-1.0	-51.63	301.69	0.72	-50.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@H]1COC(=O)N1	REAL250004632498	1	37	-1.0	-51.66	301.74	0.74	-50.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CN1C	REAL250004632499	0	35	-1.0	-45.68	282.09	5.01	-40.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CN1C	REAL250004632499	1	35	-1.0	-45.68	282.03	4.99	-40.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CCCOC1	REAL250004632500	0	43	-1.0	-46.56	338.11	3.95	-42.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CCCOC1	REAL250004632500	1	43	-1.0	-46.54	338.16	3.97	-42.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NC(C)C	REAL250004632501	0	38	-1.0	-40.13	306.96	1.94	-38.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NC(C)C	REAL250004632501	1	38	-1.0	-40.14	307.02	1.95	-38.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C(F)=C1	REAL250004632502	0	35	-1.0	-45.02	291.50	3.70	-41.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C(F)=C1	REAL250004632502	1	35	-1.0	-44.98	291.45	3.67	-41.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(C)(C)C1(F)F	REAL250004632503	0	38	-1.0	-45.63	307.86	5.37	-40.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(C)(C)C1(F)F	REAL250004632503	1	38	-1.0	-45.62	307.92	5.38	-40.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)CC1CC1	REAL250004632504	0	38	-1.0	-41.01	311.00	5.75	-35.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)CC1CC1	REAL250004632504	1	38	-1.0	-41.01	311.06	5.76	-35.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C(Cl)C=N1	REAL250004632505	0	33	-1.0	-47.08	287.35	4.55	-42.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C(Cl)C=N1	REAL250004632505	1	33	-1.0	-47.08	287.29	4.53	-42.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)S(N)(=O)=O	REAL250004632506	0	36	-1.0	-58.09	295.49	-2.05	-60.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)S(N)(=O)=O	REAL250004632506	1	36	-1.0	-58.06	295.55	-2.04	-60.10
CC1=CNC(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632507	0	39	-1.0	-46.63	321.71	4.19	-42.44
CC1=CNC(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632507	1	39	-1.0	-46.65	321.76	4.20	-42.45
CCC(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CC1	REAL250004632508	0	44	-1.0	-43.67	339.17	6.81	-36.86
CCC(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004632508	1	44	-1.0	-43.66	339.24	6.84	-36.82
CC(=CC1CC1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632509	0	39	-1.0	-46.32	304.19	5.51	-40.81
CC(=CC1CC1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632509	1	39	-1.0	-46.31	304.25	5.53	-40.78
CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)N1C=CC=N1	REAL250004632510	0	41	-1.0	-35.20	324.43	5.05	-30.15
CCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)N1C=CC=N1	REAL250004632510	1	41	-1.0	-35.16	324.40	5.05	-30.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CC(=O)N2)C1	REAL250004632511	0	40	-1.0	-45.53	318.38	1.08	-44.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CC(=O)N2)C1	REAL250004632511	1	40	-1.0	-45.51	318.44	1.09	-44.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCOC1CC1	REAL250004632512	0	39	-1.0	-42.66	313.43	4.03	-38.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCOC1CC1	REAL250004632512	1	39	-1.0	-42.65	313.49	4.05	-38.60
COCN1N=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632513	0	39	-1.0	-44.93	311.40	1.64	-43.29
COCN1N=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632513	1	39	-1.0	-44.91	311.34	1.63	-43.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1COC(C)(C)O1	REAL250004632514	0	40	-1.0	-45.33	317.24	3.50	-41.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1COC(C)(C)O1	REAL250004632514	1	40	-1.0	-45.32	317.30	3.52	-41.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=NC=N1	REAL250004632515	0	37	-1.0	-46.41	305.82	4.88	-41.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=NC=N1	REAL250004632515	1	37	-1.0	-46.44	305.87	4.91	-41.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C(C)C)=N1	REAL250004632516	0	40	-1.0	-41.62	326.13	4.10	-37.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C(C)C)=N1	REAL250004632516	1	40	-1.0	-41.59	326.19	4.12	-37.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@](O)(C#N)C1	REAL250004632517	0	37	-1.0	-45.44	299.58	1.39	-44.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@](O)(C#N)C1	REAL250004632517	1	37	-1.0	-45.45	299.64	1.41	-44.04
C=CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL250004632518	0	39	-1.0	-45.86	305.98	5.63	-40.23
C=CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL250004632518	1	39	-1.0	-45.85	306.03	5.64	-40.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CCCOC1	REAL250004632519	0	39	-1.0	-43.79	299.31	3.49	-40.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CCCOC1	REAL250004632519	1	39	-1.0	-43.78	299.37	3.50	-40.28
C=CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC=CC1	REAL250004632520	0	43	-1.0	-45.05	323.78	6.06	-38.99
C=CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC=CC1	REAL250004632520	1	43	-1.0	-45.02	323.84	6.07	-38.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)CC1CCCC1	REAL250004632521	0	44	-1.0	-39.02	339.16	6.76	-32.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)CC1CCCC1	REAL250004632521	1	44	-1.0	-39.00	339.23	6.77	-32.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(C1)CCCO2	REAL250004632522	0	43	-1.0	-42.83	332.51	4.59	-38.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(C1)CCCO2	REAL250004632522	1	43	-1.0	-42.86	332.57	4.60	-38.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CCCO2)CC1	REAL250004632523	0	43	-1.0	-50.49	325.98	5.03	-45.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CCCO2)CC1	REAL250004632523	1	43	-1.0	-50.52	326.04	5.05	-45.47
CCCC(O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632524	0	38	-1.0	-42.44	298.63	2.60	-39.84
CCCC(O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632524	1	38	-1.0	-42.47	298.69	2.61	-39.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(N)=O)=NO1	REAL250004632525	0	35	-1.0	-41.96	301.37	-0.33	-42.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(N)=O)=NO1	REAL250004632525	1	35	-1.0	-41.97	301.32	-0.35	-42.32
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CCC1	REAL250004632526	0	43	-1.0	-46.65	320.86	4.44	-42.21
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CCC1	REAL250004632526	1	43	-1.0	-46.65	320.92	4.46	-42.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCC2=CC=CC=C21	REAL250004632527	0	42	-1.0	-39.49	330.56	7.32	-32.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC2=CC=CC=C21	REAL250004632527	1	42	-1.0	-39.45	330.63	7.33	-32.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CN=C2NC=C1	REAL250004632528	0	38	-1.0	-41.96	300.04	4.43	-37.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CNC2=NC=C1	REAL250004632528	1	38	-1.0	-47.67	313.00	4.52	-43.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CN=C2NC=C1	REAL250004632528	1	38	-1.0	-41.99	300.00	4.42	-37.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CNC2=NC=C1	REAL250004632528	1	38	-1.0	-47.67	312.92	4.51	-43.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(F)C1	REAL250004632529	0	38	-1.0	-42.25	287.41	4.86	-37.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(F)C1	REAL250004632529	1	38	-1.0	-42.26	287.47	4.87	-37.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCC(C)C1	REAL250004632530	0	44	-1.0	-37.48	318.62	5.85	-31.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCC(C)C1	REAL250004632530	1	44	-1.0	-37.48	318.68	5.84	-31.64
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C)=CO1	REAL250004632531	0	41	-1.0	-40.36	330.13	6.04	-34.32
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C)=CO1	REAL250004632531	1	41	-1.0	-40.38	330.19	6.05	-34.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCCC1CCC2	REAL250004632532	0	45	-1.0	-40.49	316.84	6.22	-34.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCCC1CCC2	REAL250004632532	1	45	-1.0	-40.50	316.90	6.22	-34.28
COCCC(C)(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632533	0	47	-1.0	-42.67	351.64	4.77	-37.90
COCCC(C)(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632533	1	47	-1.0	-42.64	351.69	4.78	-37.86
CCSC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632534	0	38	-1.0	-47.45	310.80	5.10	-42.35
CCSC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632534	1	38	-1.0	-47.44	310.85	5.12	-42.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1COCCO1	REAL250004632535	0	40	-1.0	-47.41	314.83	3.18	-44.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1COCCO1	REAL250004632535	1	40	-1.0	-47.45	314.88	3.18	-44.27
CCC1(C)CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632536	0	44	-1.0	-44.95	333.24	6.24	-38.71
CCC1(C)CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632536	1	44	-1.0	-44.93	333.28	6.25	-38.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C(F)F	REAL250004632537	0	37	-1.0	-45.49	300.18	4.91	-40.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C(F)F	REAL250004632537	1	37	-1.0	-45.52	300.23	4.93	-40.59
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)C=N1	REAL250004632538	0	40	-1.0	-38.82	323.95	4.90	-33.92
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)C=N1	REAL250004632538	1	40	-1.0	-38.86	324.01	4.91	-33.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1OCCC1(C)C	REAL250004632539	0	45	-1.0	-49.12	339.09	4.96	-44.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1OCCC1(C)C	REAL250004632539	1	45	-1.0	-49.17	339.14	4.98	-44.19
CC1=NC=NC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632540	0	39	-1.0	-40.68	302.15	4.26	-36.42
CC1=NC=NC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632540	1	39	-1.0	-40.71	302.18	4.26	-36.45
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC(C)=N1	REAL250004632541	0	39	-1.0	-40.34	316.46	5.58	-34.76
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC(C)=N1	REAL250004632541	1	39	-1.0	-40.36	316.49	5.60	-34.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=NN1C1CC1	REAL250004632542	0	38	-1.0	-38.86	307.60	2.76	-36.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=NN1C1CC1	REAL250004632542	1	38	-1.0	-38.85	307.54	2.74	-36.11
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NS1	REAL250004632543	0	34	-1.0	-42.25	290.62	3.67	-38.58
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NS1	REAL250004632543	1	34	-1.0	-42.26	290.67	3.68	-38.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CN=CC=N1	REAL250004632544	0	37	-1.0	-45.84	313.57	3.49	-42.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CN=CC=N1	REAL250004632544	1	37	-1.0	-45.85	313.63	3.51	-42.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C(F)C(F)=C1	REAL250004632545	0	34	-1.0	-33.09	286.85	3.33	-29.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C(F)C(F)=C1	REAL250004632545	1	34	-1.0	-33.10	286.79	3.32	-29.78
COC(=O)C(OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632546	0	38	-1.0	-40.87	313.14	3.94	-36.93
COC(=O)C(OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632546	1	38	-1.0	-40.87	313.19	3.95	-36.92
COC(=O)[C@@H]1C[C@]1(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632547	0	41	-1.0	-44.00	324.80	5.78	-38.22
COC(=O)[C@@H]1C[C@]1(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632547	1	41	-1.0	-44.01	324.86	5.78	-38.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC2=CC=CC=C21	REAL250004632548	0	42	-1.0	-39.19	329.40	7.17	-32.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC2=CC=CC=C21	REAL250004632548	1	42	-1.0	-39.19	329.47	7.18	-32.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(CC#N)C=C1	REAL250004632549	0	36	-1.0	-54.66	308.70	4.40	-50.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(CC#N)C=C1	REAL250004632549	1	36	-1.0	-54.68	308.64	4.38	-50.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1C[C@@H]2COC[C@H]12	REAL250004632550	0	43	-1.0	-44.67	327.57	4.51	-40.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C[C@@H]2COC[C@H]12	REAL250004632550	1	43	-1.0	-44.67	327.63	4.52	-40.15
CCN1C=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL250004632551	0	37	-1.0	-53.10	305.42	5.74	-47.36
CCN1C=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632551	1	37	-1.0	-53.10	305.36	5.73	-47.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1CC#N	REAL250004632552	0	36	-1.0	-44.27	295.37	3.59	-40.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1CC#N	REAL250004632552	1	36	-1.0	-44.25	295.29	3.58	-40.67
CC(C)CC(F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632553	0	40	-1.0	-41.90	315.00	5.36	-36.54
CC(C)CC(F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632553	1	40	-1.0	-41.88	315.05	5.38	-36.50
C=C(Cl)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632554	0	35	-1.0	-43.69	298.87	5.08	-38.61
C=C(Cl)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632554	1	35	-1.0	-43.71	298.93	5.09	-38.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1CCC1	REAL250004632555	0	44	-1.0	-45.34	327.98	6.19	-39.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC1CCC1	REAL250004632555	1	44	-1.0	-45.33	328.04	6.21	-39.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1CCC1	REAL250004632556	0	44	-1.0	-43.57	340.01	6.89	-36.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1CCC1	REAL250004632556	1	44	-1.0	-43.57	340.06	6.91	-36.66
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1N	REAL250004632557	0	40	-1.0	-44.56	319.16	4.24	-40.32
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1N	REAL250004632557	1	40	-1.0	-44.53	319.22	4.26	-40.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(N)C=CC=C1F	REAL250004632558	0	37	-1.0	-44.50	306.46	3.26	-41.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(N)C=CC=C1F	REAL250004632558	1	37	-1.0	-44.45	306.52	3.28	-41.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1N	REAL250004632559	0	37	-1.0	-41.67	306.32	3.59	-38.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1N	REAL250004632559	1	37	-1.0	-41.65	306.38	3.61	-38.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(O)C=N1	REAL250004632560	0	38	-1.0	-52.99	315.00	1.84	-51.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(O)C=N1	REAL250004632560	1	38	-1.0	-53.05	315.05	1.85	-51.20
C=CN1N=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632561	0	36	-1.0	-44.98	289.88	4.02	-40.96
C=CN1N=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632561	1	36	-1.0	-44.95	289.94	4.04	-40.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NC1=NC=CN1	REAL250004632562	0	36	-1.0	-40.87	299.32	3.43	-37.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NC1=NC=CN1	REAL250004632562	1	36	-1.0	-40.84	299.38	3.44	-37.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)=CC1=CNC=N1	REAL250004632563	0	36	-1.0	-49.01	304.21	4.79	-44.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)=CC1=CNC=N1	REAL250004632563	1	36	-1.0	-49.01	304.26	4.81	-44.20
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1C	REAL250004632564	0	37	-1.0	-54.15	304.45	4.24	-49.91
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1C	REAL250004632564	1	37	-1.0	-54.16	304.50	4.25	-49.91
CCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004632565	0	39	-1.0	-46.94	308.32	5.31	-41.63
CCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004632565	1	39	-1.0	-46.97	308.37	5.32	-41.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)NN1C	REAL250004632566	0	36	-1.0	-42.05	288.12	1.35	-40.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)NN1C	REAL250004632566	1	36	-1.0	-42.08	288.17	1.37	-40.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC(=S)N1C	REAL250004632567	0	35	-1.0	-38.86	301.90	4.71	-34.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC(=S)N1C	REAL250004632567	1	35	-1.0	-38.88	301.96	4.72	-34.16
CCC1(C)C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632568	0	42	-1.0	-45.46	321.60	6.04	-39.42
CCC1(C)C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632568	1	42	-1.0	-45.44	321.66	6.05	-39.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1CCC[C@H]1O	REAL250004632569	0	42	-1.0	-48.33	322.99	2.57	-45.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1CCC[C@H]1O	REAL250004632569	1	42	-1.0	-48.29	323.05	2.59	-45.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1COC[C@H]1O	REAL250004632570	0	40	-1.0	-49.78	312.41	-0.08	-49.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1COC[C@H]1O	REAL250004632570	1	40	-1.0	-49.77	312.46	-0.06	-49.83
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(C1)N=N2	REAL250004632576	1	38	-1.0	-34.47	300.00	0.15	-34.32
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CCC(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CCC1	REAL250004632579	1	47	-1.0	-43.97	350.49	7.20	-36.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CCC(C2)C1	REAL250004632580	0	45	-1.0	-44.57	326.64	6.48	-38.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CCC(C2)C1	REAL250004632580	1	45	-1.0	-44.55	326.68	6.50	-38.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)C1(C)C	REAL250004632581	0	40	-1.0	-41.56	314.73	4.62	-36.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)C1(C)C	REAL250004632581	1	40	-1.0	-41.54	314.79	4.63	-36.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C(C)C	REAL250004632582	0	41	-1.0	-45.07	323.82	6.12	-38.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C(C)C	REAL250004632582	1	41	-1.0	-45.05	323.87	6.13	-38.92
CCCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC=N1	REAL250004632583	0	40	-1.0	-38.64	322.60	2.80	-35.84
CCCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC=N1	REAL250004632583	1	40	-1.0	-38.67	322.66	2.81	-35.86
CC1=CC=C(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL250004632584	0	40	-1.0	-47.91	325.15	5.15	-42.76
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(Cl)=N1	REAL250004632585	0	32	-1.0	-42.90	277.60	4.13	-38.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(Cl)=N1	REAL250004632585	1	32	-1.0	-42.90	277.66	4.12	-38.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CNC2=CN=C1	REAL250004632586	0	38	-1.0	-46.80	304.79	3.33	-43.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CNC2=CN=C1	REAL250004632586	1	38	-1.0	-46.83	304.71	3.33	-43.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C)(C1)OC2	REAL250004632587	0	40	-1.0	-44.99	303.45	3.43	-41.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C)(C1)OC2	REAL250004632587	1	40	-1.0	-44.98	303.51	3.44	-41.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(CO1)CCC2	REAL250004632588	0	43	-1.0	-44.09	310.82	4.79	-39.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(CO1)CCC2	REAL250004632588	1	43	-1.0	-44.09	310.87	4.81	-39.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C1)CO2	REAL250004632589	0	37	-1.0	-43.36	288.85	3.96	-39.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C1)CO2	REAL250004632589	1	37	-1.0	-43.34	288.91	3.97	-39.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C=O)N1	REAL250004632590	0	38	-1.0	-49.54	319.31	3.62	-45.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C=O)N1	REAL250004632590	1	38	-1.0	-49.56	319.37	3.64	-45.92
CCCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004632591	0	42	-1.0	-46.10	330.48	6.14	-39.96
CCCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004632591	1	42	-1.0	-46.15	330.54	6.16	-39.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC=CCC1	REAL250004632592	0	39	-1.0	-43.20	294.11	5.66	-37.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC=CCC1	REAL250004632592	1	39	-1.0	-43.17	294.16	5.67	-37.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(=O)C1	REAL250004632593	0	37	-1.0	-47.41	301.18	4.47	-42.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(=O)C1	REAL250004632593	1	37	-1.0	-47.42	301.24	4.48	-42.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)N(C)C	REAL250004632594	0	35	-1.0	-40.19	280.35	2.29	-37.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)N(C)C	REAL250004632594	1	35	-1.0	-40.22	280.41	2.30	-37.92
COC(=O)C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632595	0	37	-1.0	-41.57	299.10	4.84	-36.73
COC(=O)C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632595	1	37	-1.0	-41.60	299.16	4.85	-36.75
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(N2C=NC=N2)CC1	REAL250004632597	0	38	-1.0	-40.88	301.42	3.78	-37.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(N2C=NC=N2)CC1	REAL250004632597	1	38	-1.0	-40.89	301.38	3.79	-37.10
CCC1=CSC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632598	0	38	-1.0	-37.83	309.33	5.80	-32.03
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C(C)C)C1	REAL250004632599	0	44	-1.0	-44.57	336.10	6.49	-38.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C(C)C)C1	REAL250004632599	1	44	-1.0	-44.57	336.16	6.50	-38.07
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CN(C)C1=O	REAL250004632602	0	37	-1.0	-53.44	303.88	3.15	-50.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CN(C)C1=O	REAL250004632602	1	37	-1.0	-53.49	303.82	3.13	-50.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CC#N	REAL250004632603	0	38	-1.0	-41.44	289.69	3.96	-37.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CC#N	REAL250004632603	1	38	-1.0	-41.45	289.75	3.97	-37.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CC=C1	REAL250004632604	0	39	-1.0	-45.46	321.34	6.86	-38.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CC=C1	REAL250004632604	1	39	-1.0	-45.45	321.40	6.88	-38.57
COC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1C	REAL250004632605	0	41	-1.0	-42.46	326.41	4.85	-37.61
COC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1C	REAL250004632605	1	41	-1.0	-42.51	326.46	4.86	-37.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1(C)N=N1	REAL250004632606	0	37	-1.0	-41.02	304.20	-0.05	-41.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1(C)N=N1	REAL250004632606	1	37	-1.0	-41.05	304.26	-0.04	-41.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(=O)OC(C)(C)C	REAL250004632607	0	43	-1.0	-49.71	337.40	6.24	-43.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(=O)OC(C)(C)C	REAL250004632607	1	43	-1.0	-49.72	337.46	6.26	-43.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)C(C)(C)C	REAL250004632608	0	45	-1.0	-42.25	352.61	5.84	-36.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(=O)C(C)(C)C	REAL250004632608	1	45	-1.0	-42.24	352.67	5.85	-36.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(F)=N1	REAL250004632609	0	33	-1.0	-38.75	280.13	3.33	-35.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(F)=N1	REAL250004632609	1	33	-1.0	-38.79	280.07	3.33	-35.46
C#CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCO1	REAL250004632610	0	41	-1.0	-41.02	313.19	5.44	-35.58
C#CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCO1	REAL250004632610	1	41	-1.0	-41.05	313.23	5.45	-35.60
CC1=NC(C#N)=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632611	0	38	-1.0	-39.98	316.36	4.14	-35.84
CC1=NC(C#N)=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632611	1	38	-1.0	-40.00	316.41	4.15	-35.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCCCCC1	REAL250004632612	0	45	-1.0	-43.47	317.63	4.31	-39.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCCCCC1	REAL250004632612	1	45	-1.0	-43.46	317.69	4.33	-39.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CC=C2C1	REAL250004632613	0	40	-1.0	-46.39	315.99	6.91	-39.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CC=C2C1	REAL250004632613	1	40	-1.0	-46.36	316.04	6.94	-39.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C)(C1)CO2	REAL250004632614	0	40	-1.0	-43.10	299.12	3.77	-39.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C)(C1)CO2	REAL250004632614	1	40	-1.0	-43.10	299.17	3.78	-39.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CC2)CCCO1	REAL250004632615	0	43	-1.0	-36.18	293.09	4.72	-31.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CC2)CCCO1	REAL250004632615	1	43	-1.0	-36.22	293.14	4.73	-31.49
CC1=CC=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632616	0	37	-1.0	-42.26	295.89	5.91	-36.35
CC1=CC=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632616	1	37	-1.0	-42.24	295.95	5.91	-36.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)(F)C1	REAL250004632617	0	38	-1.0	-45.87	300.84	5.19	-40.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)(F)C1	REAL250004632617	1	38	-1.0	-45.89	300.89	5.21	-40.68
CCSCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632618	0	35	-1.0	-46.10	292.09	4.58	-41.52
CCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632618	1	35	-1.0	-46.13	292.15	4.60	-41.53
C=CCC(CC(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632619	0	47	-1.0	-45.81	360.06	6.94	-38.87
C=CCC(CC(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632619	1	47	-1.0	-45.82	360.12	6.96	-38.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)O1	REAL250004632620	0	39	-1.0	-47.96	303.48	4.52	-43.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)O1	REAL250004632620	1	39	-1.0	-47.96	303.53	4.53	-43.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C)(C1)OC2C	REAL250004632621	0	43	-1.0	-36.50	319.95	4.34	-32.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C)(C1)OC2C	REAL250004632621	1	43	-1.0	-36.51	320.00	4.36	-32.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12COC(C=CC1)C2	REAL250004632622	0	41	-1.0	-38.82	303.09	3.90	-34.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12COC(C=CC1)C2	REAL250004632622	1	41	-1.0	-38.86	303.17	3.91	-34.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1	REAL250004632623	0	45	-1.0	-37.83	340.31	5.02	-32.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1	REAL250004632623	1	45	-1.0	-37.86	340.36	5.02	-32.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12COC(C1)CCC2	REAL250004632624	0	43	-1.0	-42.54	307.25	3.68	-38.86
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CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCCF	REAL250004632646	1	40	-1.0	-45.62	321.68	5.81	-39.81
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CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=NN1C	REAL250004632650	1	37	-1.0	-48.32	304.95	2.63	-45.69
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CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC2CC2C1	REAL250004632659	1	42	-1.0	-43.69	322.43	6.66	-37.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCCOC1	REAL250004632660	0	37	-1.0	-45.69	285.45	3.22	-42.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCCOC1	REAL250004632660	1	37	-1.0	-45.68	285.51	3.23	-42.45
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CCO)N=N1	REAL250004632662	0	38	-1.0	-44.76	317.61	-0.06	-44.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CCO)N=N1	REAL250004632662	1	38	-1.0	-44.74	317.55	-0.08	-44.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC2(CCC2)C1	REAL250004632663	0	45	-1.0	-44.71	347.24	7.24	-37.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC2(CCC2)C1	REAL250004632663	1	45	-1.0	-44.74	347.30	7.25	-37.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(CF)=C1	REAL250004632664	0	34	-1.0	-44.44	286.66	4.19	-40.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(CF)=C1	REAL250004632664	1	34	-1.0	-44.41	286.71	4.21	-40.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1=CN(C)N=C1	REAL250004632665	0	39	-1.0	-49.52	321.37	3.92	-45.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1=CN(C)N=C1	REAL250004632665	1	39	-1.0	-49.54	321.31	3.90	-45.64
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(C1)OC2	REAL250004632667	0	40	-1.0	-45.21	295.88	3.10	-42.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(C1)OC2	REAL250004632667	1	40	-1.0	-45.16	295.94	3.11	-42.05
CCC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632668	0	37	-1.0	-40.85	304.83	4.25	-36.60
CCC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632668	1	37	-1.0	-40.81	304.89	4.27	-36.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC[C@H]1C(C)C	REAL250004632669	0	47	-1.0	-37.74	340.67	6.91	-30.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[C@H]1C(C)C	REAL250004632669	1	47	-1.0	-37.73	340.72	6.92	-30.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250004632670	0	39	-1.0	-45.92	307.69	5.81	-40.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250004632670	1	39	-1.0	-45.89	307.74	5.82	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=NC=C1	REAL250004632671	0	38	-1.0	-47.60	308.42	4.84	-42.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=NC=C1	REAL250004632671	1	38	-1.0	-47.60	308.49	4.86	-42.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C2CC2)=NO1	REAL250004632672	0	40	-1.0	-52.38	319.45	5.20	-47.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C2CC2)=NO1	REAL250004632672	1	40	-1.0	-52.36	319.51	5.22	-47.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC(=O)O1	REAL250004632673	0	33	-1.0	-50.10	276.00	3.64	-46.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC(=O)O1	REAL250004632673	1	33	-1.0	-50.09	276.08	3.65	-46.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1CCOC1	REAL250004632674	0	42	-1.0	-36.95	317.24	3.86	-33.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1CCOC1	REAL250004632674	1	42	-1.0	-36.98	317.29	3.87	-33.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004632675	0	39	-1.0	-37.84	300.21	6.05	-31.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004632675	1	39	-1.0	-37.82	300.26	6.06	-31.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC2COCC21	REAL250004632676	0	41	-1.0	-49.86	314.16	2.12	-47.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC2COCC21	REAL250004632676	1	41	-1.0	-49.88	314.23	2.12	-47.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1OCCC1C	REAL250004632677	0	42	-1.0	-47.56	320.28	4.56	-43.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1OCCC1C	REAL250004632677	1	42	-1.0	-47.55	320.34	4.58	-42.97
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2C1C2(F)F	REAL250004632679	0	39	-1.0	-42.36	313.61	5.91	-36.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2C1C2(F)F	REAL250004632679	1	39	-1.0	-42.32	313.66	5.92	-36.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC12CCC(CC1)C2	REAL250004632680	0	45	-1.0	-44.84	332.36	6.85	-37.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC12CCC(CC1)C2	REAL250004632680	1	45	-1.0	-44.83	332.42	6.86	-37.97
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004632681	0	36	-1.0	-37.49	283.40	4.95	-32.54
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CCCOCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632682	0	44	-1.0	-46.65	346.06	4.82	-41.83
CCCOCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632682	1	44	-1.0	-46.66	346.12	4.84	-41.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C#N)C=NN1C	REAL250004632683	0	36	-1.0	-45.42	305.88	3.59	-41.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C#N)C=NN1C	REAL250004632683	1	36	-1.0	-45.39	305.82	3.59	-41.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C(C)C(C)C	REAL250004632684	0	49	-1.0	-43.45	355.47	6.84	-36.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C(C)C(C)C	REAL250004632684	1	49	-1.0	-43.44	355.53	6.85	-36.59
CO[C@@H]1C[C@@]2(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C[C@@H]12	REAL250004632685	0	40	-1.0	-49.15	318.23	3.96	-45.19
CO[C@@H]1C[C@@]2(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C[C@@H]12	REAL250004632685	1	40	-1.0	-49.13	318.29	3.98	-45.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C)(C)OC1	REAL250004632686	0	45	-1.0	-42.93	334.44	4.48	-38.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C)(C)OC1	REAL250004632686	1	45	-1.0	-42.95	334.49	4.50	-38.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCCC1C2(F)F	REAL250004632687	0	39	-1.0	-43.58	312.65	5.96	-37.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCCC1C2(F)F	REAL250004632687	1	39	-1.0	-43.61	312.70	5.97	-37.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CC2)C=CO1	REAL250004632688	0	39	-1.0	-47.20	311.29	5.75	-41.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CC2)C=CO1	REAL250004632688	1	39	-1.0	-47.19	311.35	5.75	-41.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C)CCCO1	REAL250004632689	0	42	-1.0	-48.29	319.20	5.14	-43.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C)CCCO1	REAL250004632689	1	42	-1.0	-48.31	319.25	5.15	-43.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC2=CC=CNC2=C1	REAL250004632690	0	38	-1.0	-60.71	312.46	4.98	-55.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC2=CC=CNC2=C1	REAL250004632690	1	38	-1.0	-60.74	312.48	4.97	-55.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2C3CC1C(=O)C32	REAL250004632691	0	39	-1.0	-59.15	308.46	5.30	-53.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2C3CC1C(=O)C32	REAL250004632691	1	39	-1.0	-59.19	308.52	5.32	-53.87
COCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N1	REAL250004632692	0	40	-1.0	-36.70	320.48	4.08	-32.62
COCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N1	REAL250004632692	1	40	-1.0	-36.69	320.52	4.08	-32.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC2(CC2)C1	REAL250004632693	0	42	-1.0	-44.43	328.92	6.72	-37.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC2(CC2)C1	REAL250004632693	1	42	-1.0	-44.42	328.97	6.74	-37.68
CC1=NN(C)C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632694	0	41	-1.0	-47.84	332.76	4.41	-43.43
CC1=NN(C)C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632694	1	41	-1.0	-47.85	332.82	4.42	-43.43
CCC(C)CC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632695	0	46	-1.0	-37.38	338.28	6.57	-30.81
CCC(C)CC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632695	1	46	-1.0	-37.41	338.34	6.58	-30.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(F)(CC1)C2	REAL250004632696	0	42	-1.0	-37.21	305.55	6.05	-31.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(F)(CC1)C2	REAL250004632696	1	42	-1.0	-37.18	305.61	6.05	-31.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CC(C)(C)C2	REAL250004632697	0	45	-1.0	-44.79	347.38	7.04	-37.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CC(C)(C)C2	REAL250004632697	1	45	-1.0	-44.78	347.44	7.05	-37.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC12CCC2	REAL250004632698	0	45	-1.0	-46.43	333.92	6.82	-39.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC12CCC2	REAL250004632698	1	45	-1.0	-46.42	333.97	6.83	-39.59
C=C1CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)(C(F)F)C1	REAL250004632699	0	39	-1.0	-45.83	304.48	4.98	-40.85
C=C1CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)(C(F)F)C1	REAL250004632699	1	39	-1.0	-45.83	304.54	5.00	-40.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC1(F)F	REAL250004632700	0	32	-1.0	-46.27	274.64	4.38	-41.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC1(F)F	REAL250004632700	1	32	-1.0	-46.29	274.69	4.40	-41.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC12CC(C)(C1)OC2	REAL250004632701	0	43	-1.0	-47.73	331.69	4.44	-43.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC12CC(C)(C1)OC2	REAL250004632701	1	43	-1.0	-47.73	331.75	4.46	-43.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250004632702	0	39	-1.0	-46.12	306.99	5.71	-40.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250004632702	1	39	-1.0	-46.15	307.05	5.72	-40.43
CC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C#N	REAL250004632703	0	38	-1.0	-34.71	314.27	4.18	-30.53
CC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C#N	REAL250004632703	1	38	-1.0	-34.72	314.34	4.20	-30.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC(=O)O1	REAL250004632704	0	35	-1.0	-45.70	281.63	4.49	-41.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC(=O)O1	REAL250004632704	1	35	-1.0	-45.75	281.70	4.49	-41.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)C1CCC1	REAL250004632705	0	38	-1.0	-40.03	304.58	5.47	-34.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)C1CCC1	REAL250004632705	1	38	-1.0	-40.09	304.64	5.48	-34.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)C1CCOC1	REAL250004632706	0	39	-1.0	-44.33	303.11	3.24	-41.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)C1CCOC1	REAL250004632706	1	39	-1.0	-44.36	303.17	3.26	-41.10
CCC1(C)CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL250004632707	0	45	-1.0	-49.42	333.68	5.82	-43.60
CCC1(C)CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL250004632707	1	45	-1.0	-49.43	333.73	5.84	-43.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CCC2)CO1	REAL250004632708	0	43	-1.0	-48.29	323.65	5.51	-42.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CCC2)CO1	REAL250004632708	1	43	-1.0	-48.26	323.71	5.53	-42.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(CC(F)C2)C1	REAL250004632709	0	42	-1.0	-47.38	330.96	6.46	-40.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(CC(F)C2)C1	REAL250004632709	1	42	-1.0	-47.40	331.02	6.47	-40.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C1)OC2	REAL250004632710	0	37	-1.0	-42.41	283.35	2.59	-39.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C1)OC2	REAL250004632710	1	37	-1.0	-42.38	283.40	2.61	-39.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@H](N=[N+]=[N-])C1	REAL250004632711	0	37	-1.0	-43.38	304.61	1.06	-42.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@H](N=[N+]=[N-])C1	REAL250004632711	1	37	-1.0	-43.38	304.67	1.08	-42.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(N=[N+]=[N-])C1	REAL250004632712	0	40	-1.0	-38.57	321.81	1.88	-36.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(N=[N+]=[N-])C1	REAL250004632712	1	40	-1.0	-38.62	321.86	1.89	-36.73
COC1=CN=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632713	0	37	-1.0	-44.87	305.16	2.57	-42.30
COC1=CN=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL250004632713	1	37	-1.0	-44.87	305.11	2.55	-42.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1[C@H](C)[C@@H]1C	REAL250004632714	0	38	-1.0	-44.72	301.23	5.39	-39.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1[C@H](C)[C@@H]1C	REAL250004632714	1	38	-1.0	-44.71	301.28	5.40	-39.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C(C)(F)F	REAL250004632715	0	38	-1.0	-43.60	302.48	5.18	-38.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C(C)(F)F	REAL250004632715	1	38	-1.0	-43.58	302.53	5.20	-38.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CNC(=O)CC1C	REAL250004632716	0	42	-1.0	-45.06	326.52	2.15	-42.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CNC(=O)CC1C	REAL250004632716	1	42	-1.0	-45.06	326.58	2.16	-42.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)C(C)(C)C1(C)C	REAL250004632717	0	44	-1.0	-43.37	331.75	5.93	-37.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)C(C)(C)C1(C)C	REAL250004632717	1	44	-1.0	-43.35	331.81	5.94	-37.41
COC1(C#N)CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632718	0	40	-1.0	-46.01	323.62	3.51	-42.50
COC1(C#N)CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632718	1	40	-1.0	-46.01	323.67	3.53	-42.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCO[C@H]1C	REAL250004632719	0	39	-1.0	-46.70	292.68	3.16	-43.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCO[C@H]1C	REAL250004632719	1	39	-1.0	-46.66	292.74	3.18	-43.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1COC(C)(C)C1	REAL250004632720	0	45	-1.0	-45.41	346.31	4.88	-40.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1COC(C)(C)C1	REAL250004632720	1	45	-1.0	-45.37	346.37	4.89	-40.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCC(=O)C1	REAL250004632721	0	43	-1.0	-41.29	322.64	5.32	-35.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCC(=O)C1	REAL250004632721	1	43	-1.0	-41.28	322.70	5.34	-35.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2(CCC2)O1	REAL250004632722	0	43	-1.0	-51.37	325.26	5.72	-45.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(CCC2)O1	REAL250004632722	1	43	-1.0	-51.36	325.32	5.73	-45.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC(C)CC1	REAL250004632723	0	47	-1.0	-38.01	338.80	6.81	-31.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(C)CC1	REAL250004632723	1	47	-1.0	-38.06	338.86	6.82	-31.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC1(F)F	REAL250004632724	0	32	-1.0	-41.51	262.75	3.77	-37.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC1(F)F	REAL250004632724	1	32	-1.0	-41.47	262.80	3.79	-37.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@H]1C(F)F	REAL250004632725	0	35	-1.0	-46.88	288.97	5.10	-41.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@H]1C(F)F	REAL250004632725	1	35	-1.0	-46.89	289.03	5.11	-41.78
CC1=C(Cl)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1	REAL250004632726	0	35	-1.0	-42.28	302.82	3.84	-38.44
CC1=C(Cl)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1	REAL250004632726	1	35	-1.0	-42.28	302.88	3.86	-38.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC(=O)C1	REAL250004632727	0	35	-1.0	-45.29	291.17	3.28	-42.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC(=O)C1	REAL250004632727	1	35	-1.0	-45.29	291.23	3.30	-41.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC(C)(C1)OCC2	REAL250004632728	0	43	-1.0	-43.17	314.49	3.95	-39.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC(C)(C1)OCC2	REAL250004632728	1	43	-1.0	-43.17	314.55	3.96	-39.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL250004632729	0	38	-1.0	-48.42	311.97	1.58	-46.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL250004632729	1	38	-1.0	-48.45	312.03	1.59	-46.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C(C)C)=NO1	REAL250004632730	0	42	-1.0	-52.13	329.60	5.02	-47.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C(C)C)=NO1	REAL250004632730	1	42	-1.0	-52.11	329.66	5.04	-47.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)C#N	REAL250004632731	0	41	-1.0	-49.30	323.55	5.30	-44.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)C#N	REAL250004632731	1	41	-1.0	-49.33	323.61	5.31	-44.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN=[N+]=[N-]	REAL250004632732	0	33	-1.0	-40.43	277.67	-0.17	-40.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN=[N+]=[N-]	REAL250004632732	1	33	-1.0	-40.44	277.73	-0.15	-40.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN=[N+]=[N-]	REAL250004632733	0	36	-1.0	-46.09	299.18	0.64	-45.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN=[N+]=[N-]	REAL250004632733	1	36	-1.0	-46.12	299.23	0.65	-45.47
CCOCC(N=[N+]=[N-])C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632734	0	40	-1.0	-40.31	330.81	-0.04	-40.35
CCOCC(N=[N+]=[N-])C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632734	1	40	-1.0	-40.36	330.87	-0.03	-40.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C2CCC2)C1	REAL250004632735	0	45	-1.0	-44.27	343.06	7.22	-37.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C2CCC2)C1	REAL250004632735	1	45	-1.0	-44.32	343.12	7.24	-37.08
CNC(=O)NC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632736	0	40	-1.0	-39.41	319.53	0.50	-38.91
CNC(=O)NC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632736	1	40	-1.0	-39.39	319.56	0.50	-38.89
CNC(=O)N[C@@H](C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632737	0	40	-1.0	-45.05	315.20	-0.03	-45.08
CNC(=O)N[C@@H](C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632737	1	40	-1.0	-45.01	315.26	-0.01	-45.02
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CNC(=O)N[C@H](C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632738	1	40	-1.0	-44.31	323.03	0.39	-43.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](NC(N)=O)C(C)C	REAL250004632739	0	43	-1.0	-41.48	330.56	0.11	-41.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](NC(N)=O)C(C)C	REAL250004632739	1	43	-1.0	-41.48	330.62	0.13	-41.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)C=CCCC1	REAL250004632740	0	42	-1.0	-38.51	306.28	6.06	-32.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)C=CCCC1	REAL250004632740	1	42	-1.0	-38.48	306.33	6.06	-32.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCSC(C)C1	REAL250004632741	0	42	-1.0	-36.23	331.75	6.31	-29.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCSC(C)C1	REAL250004632741	1	42	-1.0	-36.29	331.81	6.31	-29.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CCC2)CC1	REAL250004632742	0	42	-1.0	-37.16	307.82	6.38	-30.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CCC2)CC1	REAL250004632742	1	42	-1.0	-37.18	307.88	6.40	-30.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)F	REAL250004632743	0	40	-1.0	-44.75	313.07	5.31	-39.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)F	REAL250004632743	1	40	-1.0	-44.70	313.13	5.32	-39.38
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CCCCC[C@@H](O)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632745	1	47	-1.0	-46.92	367.26	4.80	-42.12
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(F)CC2(CCC2)C1	REAL250004632747	0	42	-1.0	-40.68	326.51	6.27	-34.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(F)CC2(CCC2)C1	REAL250004632747	1	42	-1.0	-40.66	326.57	6.28	-34.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCNC1=O	REAL250004632748	0	42	-1.0	-41.86	297.15	2.43	-39.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCNC1=O	REAL250004632748	1	42	-1.0	-41.83	297.21	2.44	-39.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=NC=N1	REAL250004632749	0	34	-1.0	-53.72	285.57	5.15	-48.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=NC=N1	REAL250004632749	1	34	-1.0	-53.73	285.52	5.13	-48.60
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CCC1=NOC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL250004632753	0	39	-1.0	-52.94	309.42	4.48	-48.46
CCC1=NOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004632753	1	39	-1.0	-52.93	309.47	4.50	-48.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)C1CCOCC1	REAL250004632754	0	42	-1.0	-45.51	325.19	4.19	-41.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)C1CCOCC1	REAL250004632754	1	42	-1.0	-45.47	325.25	4.21	-41.26
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CCC1=CC=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL250004632755	1	40	-1.0	-42.14	317.43	6.67	-35.47
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SN=C1	REAL250004632756	0	34	-1.0	-42.22	282.41	3.37	-38.85
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SN=C1	REAL250004632756	1	34	-1.0	-42.25	282.35	3.36	-38.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CCC#N	REAL250004632757	0	41	-1.0	-51.85	307.74	4.77	-47.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CCC#N	REAL250004632757	1	41	-1.0	-51.83	307.81	4.78	-47.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(F)C(C)(C)F	REAL250004632758	0	40	-1.0	-42.33	301.87	4.72	-37.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(F)C(C)(C)F	REAL250004632758	1	40	-1.0	-42.34	301.93	4.73	-37.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CC2CC2C1	REAL250004632759	0	40	-1.0	-39.41	311.50	5.73	-33.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CC2CC2C1	REAL250004632759	1	40	-1.0	-39.40	311.56	5.74	-33.66
C#CCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632760	0	34	-1.0	-49.71	287.95	4.11	-45.60
C#CCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632760	1	34	-1.0	-49.70	288.00	4.12	-45.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC(=O)N1	REAL250004632761	0	33	-1.0	-47.15	266.26	-0.28	-47.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC(=O)N1	REAL250004632761	1	33	-1.0	-47.20	266.32	-0.27	-47.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)NC1(C)C	REAL250004632762	0	42	-1.0	-44.92	322.02	2.13	-42.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)NC1(C)C	REAL250004632762	1	42	-1.0	-44.88	322.08	2.15	-42.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL250004632763	0	40	-1.0	-46.87	316.28	2.19	-44.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL250004632763	1	40	-1.0	-46.87	316.34	2.21	-44.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(C)OC1C	REAL250004632764	0	45	-1.0	-42.58	341.42	4.75	-37.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(C)OC1C	REAL250004632764	1	45	-1.0	-42.61	341.48	4.76	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(Cl)=C1	REAL250004632765	0	32	-1.0	-33.74	277.79	4.24	-29.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(Cl)=C1	REAL250004632765	1	32	-1.0	-33.72	277.84	4.24	-29.48
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC(F)=C1	REAL250004632766	0	35	-1.0	-41.82	291.11	4.61	-37.21
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC(F)=C1	REAL250004632766	1	35	-1.0	-41.81	291.17	4.63	-37.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2C3CC1CC32	REAL250004632767	0	40	-1.0	-45.75	303.96	6.13	-39.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2C3CC1CC32	REAL250004632767	1	40	-1.0	-45.74	304.02	6.15	-39.59
CC(C)CCCOCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632768	0	47	-1.0	-47.12	364.23	6.44	-40.68
CC(C)CCCOCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632768	1	47	-1.0	-47.11	364.28	6.46	-40.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1CCC1	REAL250004632769	0	39	-1.0	-44.37	313.40	6.09	-38.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1CCC1	REAL250004632769	1	39	-1.0	-44.38	313.45	6.10	-38.28
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN1C	REAL250004632770	0	39	-1.0	-49.30	306.00	5.23	-44.07
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=NS1	REAL250004632771	0	33	-1.0	-46.05	289.31	2.96	-43.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=NS1	REAL250004632771	1	33	-1.0	-46.01	289.37	2.97	-43.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004632773	0	42	-1.0	-46.38	339.34	7.68	-38.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004632773	1	42	-1.0	-46.40	339.40	7.69	-38.71
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CN1C=NN=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004632774	1	38	-1.0	-56.62	318.18	5.38	-51.24
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CCC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL250004634048	1	38	-1.0	-57.54	313.02	3.97	-53.57
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CS1	REAL250004634054	0	30	-1.0	-50.25	261.11	3.23	-47.02
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CCC(CC(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634058	1	35	-1.0	-46.57	285.19	3.30	-43.27
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CC1=NN=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004634060	1	31	-1.0	-53.02	277.83	0.95	-52.07
CC1=CC=C(F)C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004634061	0	36	-1.0	-54.86	303.41	4.89	-49.97
CC1=CC=C(F)C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004634061	1	36	-1.0	-54.86	303.47	4.88	-49.98
CC1=CN=CC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004634062	0	38	-1.0	-49.44	314.26	3.85	-45.59
CC1=CN=CC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004634062	1	38	-1.0	-49.46	314.33	3.85	-45.61
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)OC(C(C)C)=N1	REAL250004634064	0	38	-1.0	-47.53	312.94	0.96	-46.57
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)OC(C(C)C)=N1	REAL250004634064	1	38	-1.0	-47.55	313.01	0.96	-46.59
CC(C)CC(CC(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634065	0	47	-1.0	-50.42	340.43	5.48	-44.94
CC(C)CC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634065	1	47	-1.0	-50.42	340.49	5.48	-44.94
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CC(C)C[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634074	0	39	-1.0	-50.38	308.79	4.71	-45.67
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CC1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1C	REAL250004634079	1	42	-1.0	-51.54	309.25	4.70	-46.84
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634080	0	35	-1.0	-49.10	285.43	1.89	-47.21
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CC(C)CCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634082	0	38	-1.0	-49.86	298.76	4.02	-45.84
CC(C)CCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634082	1	38	-1.0	-49.85	298.83	4.01	-45.84
CCCC1CCCC1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634083	0	42	-1.0	-50.41	316.87	5.10	-45.31
CCCC1CCCC1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634083	1	42	-1.0	-50.38	316.93	5.09	-45.29
CN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL250004634084	0	30	-1.0	-50.57	270.50	1.64	-48.93
CN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL250004634084	1	30	-1.0	-50.56	270.44	1.64	-48.92
CCOC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004634085	0	33	-1.0	-44.66	285.25	-0.09	-44.75
CCOC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004634085	1	33	-1.0	-44.63	285.19	-0.09	-44.72
CC(C)(CCC(=O)NC1(C2=N[N-]N=N2)CCC1)[N+](=O)[O-]	REAL250004634086	0	37	-1.0	-56.82	299.60	3.22	-53.60
CC(C)(CCC(=O)NC1(C2=NN=N[N-]2)CCC1)[N+](=O)[O-]	REAL250004634086	1	37	-1.0	-56.82	299.66	3.21	-53.61
CC1=CN=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634087	0	32	-1.0	-48.85	263.20	2.43	-46.42
CC1=CN=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634087	1	32	-1.0	-48.83	263.13	2.43	-46.40
CC(C)(C)C(=O)CCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634088	0	43	-1.0	-60.05	340.27	4.48	-55.57
CC(C)(C)C(=O)CCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634088	1	43	-1.0	-60.07	340.34	4.47	-55.60
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CCC1CCCC1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634096	1	39	-1.0	-51.15	301.86	4.35	-46.80
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C(C#N)N1	REAL250004634099	0	32	-1.0	-48.49	277.85	2.23	-46.26
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C(C#N)N1	REAL250004634099	1	32	-1.0	-48.47	277.92	2.23	-46.24
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O=C(C=CC1=CNN=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004634101	0	31	-1.0	-52.73	267.28	1.23	-51.50
O=C(C=CC1=CNN=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004634101	1	31	-1.0	-52.75	267.22	1.24	-51.51
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)NN=C1	REAL250004634102	0	29	-1.0	-51.81	251.88	-0.96	-52.77
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)NN=C1	REAL250004634102	1	29	-1.0	-51.85	251.94	-0.96	-52.81
CC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634103	0	31	-1.0	-58.38	261.94	1.74	-56.64
CC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004634103	1	31	-1.0	-58.36	262.01	1.74	-56.62
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1CNC(=O)O1	REAL250004634104	0	29	-1.0	-62.52	248.70	-1.85	-64.37
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1CNC(=O)O1	REAL250004634104	1	29	-1.0	-62.53	248.76	-1.84	-64.37
C[Si](C)(C)CCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634105	0	41	-1.0	-51.45	331.53	6.59	-44.86
C[Si](C)(C)CCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634105	1	41	-1.0	-51.47	331.60	6.59	-44.88
CN1C=C(C=C(C#N)C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004634106	0	35	-1.0	-46.75	303.08	2.65	-44.10
CN1C=C(C=C(C#N)C(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004634106	1	35	-1.0	-46.76	303.14	2.64	-44.12
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCC2=NC=CN2C1	REAL250004634107	0	37	-1.0	-50.65	296.64	3.63	-47.02
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCC2=NC=CN2C1	REAL250004634107	1	37	-1.0	-50.66	296.70	3.62	-47.04
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634108	0	37	-1.0	-51.99	307.41	4.75	-47.24
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634108	1	37	-1.0	-51.98	307.47	4.75	-47.23
CC1=NN=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004634109	0	28	-1.0	-47.29	256.81	0.29	-47.00
CC1=NN=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004634109	1	28	-1.0	-47.33	256.88	0.29	-47.04
O=C(CSC1CC1)NC1(C2=N[N-]N=N2)CCC1	REAL250004634110	0	31	-1.0	-51.52	271.68	3.35	-48.17
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CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C	REAL250004634111	0	36	-1.0	-55.59	297.89	2.43	-53.16
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C	REAL250004634111	1	36	-1.0	-55.60	297.95	2.42	-53.18
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C2OCCCN2N=C1	REAL250004634112	0	35	-1.0	-58.41	288.43	0.69	-57.72
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C2OCCCN2N=C1	REAL250004634112	1	35	-1.0	-58.39	288.36	0.69	-57.70
CC1=CC(C#N)=CN=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634113	0	33	-1.0	-46.14	285.87	2.89	-43.25
CC1=CC(C#N)=CN=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634113	1	33	-1.0	-46.15	285.80	2.88	-43.27
CC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL250004634114	0	33	-1.0	-60.49	278.71	2.19	-58.30
CC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL250004634114	1	33	-1.0	-60.49	278.77	2.19	-58.30
COC1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634115	0	40	-1.0	-52.80	310.18	2.76	-50.04
COC1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004634115	1	40	-1.0	-52.82	310.24	2.75	-50.07
CNC(=O)NCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634116	0	35	-1.0	-61.17	292.22	-1.83	-63.00
CNC(=O)NCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634116	1	35	-1.0	-61.22	292.29	-1.83	-63.05
CCN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004634117	0	32	-1.0	-48.99	274.15	0.51	-48.48
CCN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004634117	1	32	-1.0	-49.04	274.08	0.51	-48.53
CCOC1=NNC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004634118	0	34	-1.0	-48.46	288.93	-1.25	-49.71
CCOC1=NNC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004634118	1	34	-1.0	-48.48	288.99	-1.24	-49.72
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O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCC2=CN=CN2C1	REAL250004634119	1	37	-1.0	-50.61	296.53	4.34	-46.27
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC2=CC=CC=C2C1	REAL250004634120	0	37	-1.0	-50.51	298.73	5.26	-45.25
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CC(C)(C)N1C=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004634122	0	38	-1.0	-57.99	312.12	3.81	-54.18
CC(C)(C)N1C=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004634122	1	38	-1.0	-57.96	312.05	3.81	-54.15
CCCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL250004634123	0	35	-1.0	-47.77	295.30	3.18	-44.59
CCCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL250004634123	1	35	-1.0	-47.80	295.36	3.18	-44.62
NC1=NC(Cl)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634124	0	31	-1.0	-47.03	273.50	1.31	-45.72
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CN1C=NC=C1C=CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634279	1	34	-1.0	-52.76	287.09	3.83	-48.93
CC1=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004634280	0	33	-1.0	-54.81	291.38	2.29	-52.52
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CN1CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CCC1=O	REAL250004634281	0	37	-1.0	-50.95	294.41	1.73	-49.22
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CCN1CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CCC1=O	REAL250004634282	1	40	-1.0	-50.68	315.57	2.71	-47.97
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CC1=NOC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004634814	0	35	-1.0	-50.76	295.04	3.14	-47.62
CC1=NOC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004634814	1	35	-1.0	-50.74	295.11	3.13	-47.61
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CC1(C)C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1(C)C	REAL250004634816	0	42	-1.0	-50.74	319.50	4.84	-45.90
CC1(C)C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1(C)C	REAL250004634816	1	42	-1.0	-50.80	319.57	4.83	-45.97
CC1(C)CC2(CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)C2)C1	REAL250004634817	0	43	-1.0	-52.30	327.38	5.30	-47.00
CC1(C)CC2(CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)C2)C1	REAL250004634817	1	43	-1.0	-52.34	327.44	5.29	-47.05
NC1=CC=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634818	0	32	-1.0	-45.83	267.90	1.81	-44.02
NC1=CC=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634818	1	32	-1.0	-45.82	267.96	1.81	-44.01
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CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CN=N1	REAL250004634820	0	31	-1.0	-47.60	263.75	1.28	-46.32
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CN=N1	REAL250004634820	1	31	-1.0	-47.58	263.82	1.27	-46.31
C[C@@H]1C[C@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)CC(C)(C)C1	REAL250004634821	0	45	-1.0	-51.11	332.28	5.24	-45.87
C[C@@H]1C[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)CC(C)(C)C1	REAL250004634821	1	45	-1.0	-51.13	332.35	5.24	-45.89
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CC(C)(C)C1=NNC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004634823	0	38	-1.0	-44.74	313.00	2.16	-42.58
CC(C)(C)C1=NNC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004634823	1	38	-1.0	-44.70	313.06	2.16	-42.54
CC[C@H](C)[C@H](O)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634824	0	36	-1.0	-47.25	279.71	0.37	-46.88
CC[C@H](C)[C@H](O)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634824	1	36	-1.0	-47.22	279.77	0.36	-46.86
CC(C)CC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C(C)C	REAL250004634825	0	44	-1.0	-50.75	326.43	4.86	-45.89
CC(C)CC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C(C)C	REAL250004634825	1	44	-1.0	-50.80	326.50	4.86	-45.94
CC1(C)C2CCC(C2)C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634826	0	43	-1.0	-50.84	310.97	5.03	-45.81
CC1(C)C2CCC(C2)C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634826	1	43	-1.0	-50.82	311.04	5.02	-45.80
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NC(=O)C1=NNC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635003	1	31	-1.0	-53.77	272.08	-3.35	-57.12
NC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1	REAL250004635003	1	31	-1.0	-56.86	272.09	-3.35	-60.21
CC1(C)C(O)CC1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635004	0	40	-1.0	-54.39	310.60	1.03	-53.36
CC1(C)C(O)CC1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635004	1	40	-1.0	-54.37	310.66	1.04	-53.33
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CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N=CS1	REAL250004635007	0	32	-1.0	-49.69	277.51	2.10	-47.59
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N=CS1	REAL250004635007	1	32	-1.0	-49.65	277.44	2.09	-47.56
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C2SC=CN12	REAL250004635008	0	30	-1.0	-53.96	267.22	3.10	-50.86
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C2SC=CN12	REAL250004635008	1	30	-1.0	-53.94	267.16	3.10	-50.84
CC1=NC=C(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004635009	0	35	-1.0	-49.85	304.68	2.93	-46.92
CC1=NC=C(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004635009	1	35	-1.0	-49.84	304.74	2.93	-46.91
CCCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635010	0	36	-1.0	-53.59	300.18	2.92	-50.67
CCCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635010	1	36	-1.0	-53.57	300.11	2.92	-50.65
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC(F)=CC=C1Cl	REAL250004635011	0	29	-1.0	-48.20	267.93	2.25	-45.95
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC(F)=CC=C1Cl	REAL250004635011	1	29	-1.0	-48.19	267.87	2.25	-45.94
O=C(CN1N=CC2=NC=CC=C21)NC1(C2=NN=N[N-]2)CCC1	REAL250004635012	0	35	-1.0	-55.28	299.98	1.87	-53.41
O=C(CN1N=CC2=NC=CC=C21)NC1(C2=N[N-]N=N2)CCC1	REAL250004635012	1	35	-1.0	-55.28	299.91	1.88	-53.40
CCC(C)N1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635013	0	39	-1.0	-48.73	312.33	3.41	-45.32
CCC(C)N1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635013	1	39	-1.0	-48.75	312.27	3.42	-45.33
C[C@H](CC(F)(F)F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635014	0	32	-1.0	-46.16	269.99	2.89	-43.27
C[C@H](CC(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635014	1	32	-1.0	-46.15	270.05	2.89	-43.26
CCN1C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635015	0	34	-1.0	-49.75	278.05	3.81	-45.94
CCN1C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635015	1	34	-1.0	-49.75	278.11	3.80	-45.95
CC1=C(O)C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL250004635016	0	37	-1.0	-51.14	294.18	1.98	-49.16
CC1=C(O)C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL250004635016	1	37	-1.0	-51.16	294.25	1.99	-49.17
CC(=CN1C=CN=N1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635017	0	33	-1.0	-48.85	276.54	2.06	-46.79
CC(=CN1C=CN=N1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635017	1	33	-1.0	-48.86	276.60	2.06	-46.80
O=C(NC1(C2=N[N-]N=N2)CCC1)C(F)=CC1CC1	REAL250004635018	0	31	-1.0	-45.40	266.64	3.45	-41.95
O=C(NC1(C2=NN=N[N-]2)CCC1)C(F)=CC1CC1	REAL250004635018	1	31	-1.0	-45.41	266.70	3.45	-41.96
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250004635019	0	34	-1.0	-48.56	280.95	3.93	-44.63
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250004635019	1	34	-1.0	-48.57	281.02	3.95	-44.62
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(CCCC2)O1	REAL250004635020	0	37	-1.0	-50.45	299.42	4.22	-46.23
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(CCCC2)O1	REAL250004635020	1	37	-1.0	-50.45	299.48	4.22	-46.23
CC1=CC=C2C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CNC2=C1	REAL250004635021	0	37	-1.0	-60.91	305.55	4.18	-56.73
CC1=CC=C2C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CNC2=C1	REAL250004635021	1	37	-1.0	-60.86	305.48	4.18	-56.68
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N(C)C=N1	REAL250004635022	0	33	-1.0	-52.83	278.85	3.11	-49.72
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N(C)C=N1	REAL250004635022	1	33	-1.0	-52.80	278.91	3.10	-49.70
COC1=NNC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635023	0	31	-1.0	-48.51	267.07	-2.20	-50.71
COC1=NNC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635023	1	31	-1.0	-48.49	267.14	-2.20	-50.69
CC1CC(=O)NC1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635024	0	34	-1.0	-56.88	272.57	-0.11	-56.99
CC1CC(=O)NC1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635024	1	34	-1.0	-56.91	272.63	-0.12	-57.03
CCC1CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CCC1=O	REAL250004635025	0	41	-1.0	-51.21	317.26	4.25	-46.96
CCC1CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CCC1=O	REAL250004635025	1	41	-1.0	-51.24	317.33	4.25	-46.99
COCC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635026	0	33	-1.0	-46.57	285.27	0.66	-45.91
COCC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635026	1	33	-1.0	-46.57	285.34	0.66	-45.91
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O=C(NC1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CN=C1	REAL250004635027	1	32	-1.0	-48.83	281.14	2.50	-46.33
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O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC2(C1)CCOC2	REAL250004635028	1	38	-1.0	-50.54	298.99	2.35	-48.19
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2CCCC2=N1	REAL250004635029	0	36	-1.0	-51.52	294.45	3.66	-47.86
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2CCCC2=N1	REAL250004635029	1	36	-1.0	-51.55	294.51	3.65	-47.90
CC(C)(C)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004635030	0	40	-1.0	-59.23	322.01	3.64	-55.59
CC(C)(C)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004635030	1	40	-1.0	-59.25	322.07	3.64	-55.61
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=COC2=C1CCCC2	REAL250004635031	0	37	-1.0	-55.02	296.90	4.18	-50.84
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=COC2=C1CCCC2	REAL250004635031	1	37	-1.0	-55.00	296.96	4.18	-50.82
CCC1(CC)CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004635032	0	42	-1.0	-49.74	317.52	4.77	-44.97
CCC1(CC)CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004635032	1	42	-1.0	-49.75	317.59	4.77	-44.98
CC(C)(C)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635033	0	38	-1.0	-45.22	313.00	3.43	-41.79
CC(C)(C)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635033	1	38	-1.0	-45.22	312.93	3.42	-41.80
CC1=NC2=NC=NN2C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635034	0	34	-1.0	-48.85	288.34	5.45	-43.40
CC1=NC2=NC=NN2C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635034	1	34	-1.0	-48.82	288.41	5.45	-43.37
CC1(C)[C@@H]2C[C@@H](C(=O)NC3(C4=N[N-]N=N4)CCC3)C[C@@H]21	REAL250004635035	0	40	-1.0	-50.72	304.51	4.80	-45.92
CC1(C)[C@@H]2C[C@@H](C(=O)NC3(C4=NN=N[N-]4)CCC3)C[C@@H]21	REAL250004635035	1	40	-1.0	-50.74	304.57	4.81	-45.93
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL250004635036	0	36	-1.0	-54.80	299.93	3.69	-51.11
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL250004635036	1	36	-1.0	-54.79	299.99	3.70	-51.09
COC1=CC=NC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635037	0	33	-1.0	-54.45	274.34	2.14	-52.31
COC1=CC=NC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635037	1	33	-1.0	-54.40	274.41	2.14	-52.26
CC(=O)OCCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635038	0	35	-1.0	-52.73	295.09	2.94	-49.79
CC(=O)OCCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635038	1	35	-1.0	-52.75	295.15	2.94	-49.81
CC(=O)NC(CC(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635039	0	42	-1.0	-55.99	328.01	2.82	-53.17
CC(=O)NC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635039	1	42	-1.0	-55.99	328.07	2.81	-53.18
CC1=C(C)OC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635040	0	38	-1.0	-52.40	316.01	1.11	-51.29
CC1=C(C)OC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635040	1	38	-1.0	-52.41	316.08	1.10	-51.31
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC2=C1CNC2=O	REAL250004635041	0	35	-1.0	-51.10	292.42	0.96	-50.14
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC2=C1CNC2=O	REAL250004635041	1	35	-1.0	-51.16	292.48	0.95	-50.21
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN(C2COC2)N=N1	REAL250004635042	0	34	-1.0	-48.12	288.96	-1.07	-49.19
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN(C2COC2)N=N1	REAL250004635042	1	34	-1.0	-48.12	288.89	-1.06	-49.18
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(CCF)C=C1	REAL250004635043	0	33	-1.0	-52.90	285.30	2.31	-50.59
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(CCF)C=C1	REAL250004635043	1	33	-1.0	-52.89	285.23	2.31	-50.58
O=C(CCC1=CC=C(F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635044	0	35	-1.0	-48.91	299.30	3.15	-45.76
O=C(CCC1=CC=C(F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635044	1	35	-1.0	-48.88	299.24	3.15	-45.73
CC1=NC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004635045	0	32	-1.0	-51.56	283.28	2.16	-49.40
CC1=NC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004635045	1	32	-1.0	-51.58	283.34	2.15	-49.43
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C2CCCCC2=N1	REAL250004635046	0	38	-1.0	-49.77	306.92	2.36	-47.41
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C2CCCCC2=N1	REAL250004635046	1	38	-1.0	-49.77	306.99	2.36	-47.41
CC1=C(C)NC(C=CC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635047	0	37	-1.0	-51.64	310.50	2.75	-48.89
CC1=C(C)NC(C=CC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635047	1	37	-1.0	-51.61	310.56	2.74	-48.87
CS(C)(=O)=NC(=O)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635048	0	32	-1.0	-68.01	283.72	-2.05	-70.06
CS(C)(=O)=NC(=O)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635048	1	32	-1.0	-68.00	283.78	-2.06	-70.06
O=C(C#CC1CCC(=O)CC1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635049	0	37	-1.0	-55.75	306.56	4.05	-51.70
O=C(C#CC1CCC(=O)CC1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635049	1	37	-1.0	-55.73	306.63	4.05	-51.68
CC(C(F)C(=O)NC1(C2=N[N-]N=N2)CCC1)C(F)(F)F	REAL250004635050	0	32	-1.0	-43.01	274.16	2.88	-40.13
CC(C(F)C(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)(F)F	REAL250004635050	1	32	-1.0	-43.04	274.22	2.88	-40.16
CC1=CNC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635051	0	36	-1.0	-49.70	299.28	2.26	-47.44
CC1=CNC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635051	1	36	-1.0	-49.74	299.34	2.26	-47.48
CCCC(CC)CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635053	0	41	-1.0	-49.30	308.75	4.49	-44.81
CCCC(CC)CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635053	1	41	-1.0	-49.26	308.82	4.49	-44.77
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=COC2=C1CSC2	REAL250004635054	0	32	-1.0	-54.50	281.36	3.14	-51.36
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=COC2=C1CSC2	REAL250004635054	1	32	-1.0	-54.49	281.42	3.14	-51.35
CC1=CC=C2OC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C2=C1	REAL250004635055	0	36	-1.0	-57.60	301.85	4.53	-53.07
CC1=CC=C2OC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C2=C1	REAL250004635055	1	36	-1.0	-57.58	301.78	4.53	-53.05
CC1=CC=C2C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=COC2=C1	REAL250004635056	0	36	-1.0	-56.56	301.81	4.54	-52.02
CC1=CC=C2C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=COC2=C1	REAL250004635056	1	36	-1.0	-56.54	301.75	4.54	-52.00
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635057	0	38	-1.0	-66.10	310.11	-1.43	-67.53
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635057	1	38	-1.0	-66.11	310.18	-1.43	-67.54
O=C(NC1(C2=N[N-]N=N2)CCC1)C1C(F)(F)C12CC2	REAL250004635058	0	31	-1.0	-51.73	272.28	3.61	-48.12
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CCC1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004635114	1	39	-1.0	-49.98	293.00	4.11	-45.87
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CC1=NN=C(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)N1C	REAL250004635122	0	38	-1.0	-57.61	313.37	3.83	-53.78
CC1=NN=C(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)N1C	REAL250004635122	1	38	-1.0	-57.61	313.44	3.82	-53.79
CCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=N1	REAL250004635123	0	37	-1.0	-46.95	301.45	2.77	-44.18
CCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=N1	REAL250004635123	1	37	-1.0	-47.02	301.52	2.78	-44.24
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CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NC(C)=N1	REAL250004635127	0	34	-1.0	-47.71	287.46	2.17	-45.54
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NC(C)=N1	REAL250004635127	1	34	-1.0	-47.69	287.53	2.18	-45.51
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=NS1	REAL250004635128	0	29	-1.0	-46.75	254.92	1.98	-44.77
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=NS1	REAL250004635128	1	29	-1.0	-46.74	254.99	1.99	-44.75
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CCCC1=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CS1	REAL250004635130	0	35	-1.0	-50.15	303.86	2.77	-47.38
CCCC1=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CS1	REAL250004635130	1	35	-1.0	-50.15	303.92	2.77	-47.38
CC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL250004635131	0	33	-1.0	-45.42	296.20	2.20	-43.22
CC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL250004635131	1	33	-1.0	-45.44	296.26	2.19	-43.25
CC(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N1	REAL250004635132	0	40	-1.0	-51.69	320.54	3.66	-48.03
CC(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N1	REAL250004635132	1	40	-1.0	-51.68	320.61	3.66	-48.02
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COC(=O)C(OC)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635134	0	33	-1.0	-51.66	282.65	1.79	-49.87
COC(=O)C(OC)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635134	1	33	-1.0	-51.70	282.71	1.79	-49.91
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635135	0	36	-1.0	-53.74	302.54	3.15	-50.59
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635135	1	36	-1.0	-53.76	302.60	3.15	-50.61
CC(C)(C)C1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N1	REAL250004635136	0	39	-1.0	-51.72	316.04	2.68	-49.04
CC(C)(C)C1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N1	REAL250004635136	1	39	-1.0	-51.67	316.10	2.69	-48.98
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CCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC1=O	REAL250004635138	0	36	-1.0	-63.40	298.91	3.25	-60.15
CCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC1=O	REAL250004635138	1	36	-1.0	-63.39	298.98	3.25	-60.14
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COC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1F	REAL250004635140	0	33	-1.0	-58.72	283.11	1.22	-57.50
COC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1F	REAL250004635140	1	33	-1.0	-58.74	283.05	1.22	-57.52
N#CCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635141	0	31	-1.0	-60.40	278.12	1.90	-58.50
N#CCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635141	1	31	-1.0	-60.37	278.05	1.90	-58.47
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O=C(CN1N=NC(C2CC2)=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635143	0	35	-1.0	-57.25	300.31	1.74	-55.51
O=C(CN1N=NC(C2CC2)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635143	1	35	-1.0	-57.29	300.38	1.73	-55.56
CCN1C=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004635144	0	32	-1.0	-58.59	273.66	2.82	-55.77
CCN1C=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004635144	1	32	-1.0	-58.57	273.60	2.82	-55.75
N#CCN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635145	0	31	-1.0	-48.41	273.49	1.82	-46.59
N#CCN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635145	1	31	-1.0	-48.40	273.43	1.83	-46.57
CC(C)CC(F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635146	0	35	-1.0	-47.94	283.04	3.29	-44.65
CC(C)CC(F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635146	1	35	-1.0	-47.94	283.10	3.28	-44.66
C=C(Cl)CCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635147	0	30	-1.0	-48.95	268.03	3.04	-45.91
C=C(Cl)CCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635147	1	30	-1.0	-48.93	268.10	3.03	-45.90
CC(CC1CCC1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635148	0	39	-1.0	-50.05	299.69	4.48	-45.57
CC(CC1CCC1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635148	1	39	-1.0	-50.03	299.75	4.47	-45.56
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CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL250004635150	0	35	-1.0	-48.80	280.61	2.51	-46.29
CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL250004635150	1	35	-1.0	-48.81	280.54	2.51	-46.30
NC1=CC=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635151	0	32	-1.0	-45.54	278.21	2.26	-43.28
NC1=CC=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635151	1	32	-1.0	-45.57	278.27	2.26	-43.31
NC1=C(Cl)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635152	0	32	-1.0	-48.03	276.79	2.32	-45.71
NC1=C(Cl)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635152	1	32	-1.0	-48.03	276.86	2.32	-45.71
NC1=CC(F)=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635153	0	32	-1.0	-43.67	274.16	1.86	-41.81
NC1=CC(F)=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635153	1	32	-1.0	-43.67	274.22	1.86	-41.81
NC1=C(F)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635154	0	32	-1.0	-48.94	267.80	1.83	-47.11
NC1=C(F)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635154	1	32	-1.0	-48.94	267.87	1.84	-47.10
CC1=CC=C(F)C(N)=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635155	0	35	-1.0	-47.96	293.98	1.89	-46.07
CC1=CC=C(F)C(N)=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635155	1	35	-1.0	-48.01	294.05	1.89	-46.12
CC1=CC(F)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL250004635156	0	35	-1.0	-45.60	285.64	2.58	-43.02
CC1=CC(F)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL250004635156	1	35	-1.0	-45.60	285.70	2.58	-43.02
CC1=C(F)C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL250004635157	0	35	-1.0	-45.87	285.78	2.54	-43.33
CC1=C(F)C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL250004635157	1	35	-1.0	-45.88	285.84	2.55	-43.33
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(N)C=C1F	REAL250004635158	0	35	-1.0	-45.95	288.13	2.45	-43.50
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(N)C=C1F	REAL250004635158	1	35	-1.0	-45.96	288.20	2.45	-43.51
CC1=C(F)C=CC(N)=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635159	0	35	-1.0	-50.89	293.83	1.83	-49.06
CC1=C(F)C=CC(N)=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635159	1	35	-1.0	-50.94	293.90	1.82	-49.12
O=C(CC1=CC=C(O)C=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635160	0	33	-1.0	-59.17	281.06	-0.30	-59.47
O=C(CC1=CC=C(O)C=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635160	1	33	-1.0	-59.18	281.13	-0.31	-59.49
C=CN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635161	0	31	-1.0	-50.49	264.28	2.31	-48.18
C=CN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635161	1	31	-1.0	-50.46	264.22	2.32	-48.14
O=C(NC1=NC=CN1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635163	0	31	-1.0	-45.30	268.18	1.18	-44.12
O=C(NC1=NC=CN1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635163	1	31	-1.0	-45.32	268.11	1.18	-44.14
O=C(NC1(C2=N[N-]N=N2)CCC1)C12CC(C1)CN2C1CC1	REAL250004635164	0	40	-1.0	-49.02	305.17	2.06	-46.96
O=C(NC1(C2=NN=N[N-]2)CCC1)C12CC(C1)CN2C1CC1	REAL250004635164	1	40	-1.0	-49.04	305.24	2.05	-46.99
O=C(NC1(C2=N[N-]N=N2)CCC1)C(F)=CC1=CNC=N1	REAL250004635165	0	31	-1.0	-53.20	272.50	2.74	-50.46
O=C(NC1(C2=NN=N[N-]2)CCC1)C(F)=CC1=CNC=N1	REAL250004635165	1	31	-1.0	-53.18	272.57	2.73	-50.45
CC1=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004635166	0	32	-1.0	-59.66	271.67	1.73	-57.93
CC1=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004635166	1	32	-1.0	-59.67	271.74	1.73	-57.94
CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N1	REAL250004635167	0	34	-1.0	-52.49	282.21	2.62	-49.87
CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N1	REAL250004635167	1	34	-1.0	-52.48	282.27	2.63	-49.85
O=C(C=CCOC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635168	0	38	-1.0	-54.32	319.69	4.41	-49.91
O=C(C=CCOC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635168	1	38	-1.0	-54.36	319.75	4.40	-49.96
O=C(CC1CC(=O)NC(=O)C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004635169	0	36	-1.0	-57.34	295.62	-0.26	-57.60
O=C(CC1CC(=O)NC(=O)C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004635169	1	36	-1.0	-57.35	295.68	-0.26	-57.61
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CC[C@H](CC(=O)NC1(C2=N[N-]N=N2)CCC1)C(C)C	REAL250004635264	0	41	-1.0	-49.31	304.76	4.19	-45.12
CC[C@H](CC(=O)NC1(C2=NN=N[N-]2)CCC1)C(C)C	REAL250004635264	1	41	-1.0	-49.30	304.83	4.18	-45.12
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CCC(C(=O)NC1(C2=NN=N[N-]2)CCC1)N1C=NC=N1	REAL250004635266	0	35	-1.0	-48.19	287.49	4.04	-44.15
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CC1(C)CCCC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)O1	REAL250004635271	1	43	-1.0	-52.56	325.24	4.18	-48.38
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CCCCC[C@@H](O)CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635429	0	42	-1.0	-53.21	333.22	2.59	-50.62
CCCCC[C@@H](O)CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635429	1	42	-1.0	-53.24	333.29	2.58	-50.66
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N2C=CC=CC2=N1	REAL250004635430	0	36	-1.0	-54.60	303.99	4.31	-50.29
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N2C=CC=CC2=N1	REAL250004635430	1	36	-1.0	-54.63	303.93	4.31	-50.32
CCC1=C(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL250004635431	0	35	-1.0	-48.42	290.99	3.03	-45.39
CCC1=C(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL250004635431	1	35	-1.0	-48.37	291.05	3.03	-45.34
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COCC(C)(O)CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635434	0	37	-1.0	-54.73	295.85	-0.45	-55.18
COCC(C)(O)CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635434	1	37	-1.0	-54.72	295.92	-0.46	-55.18
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CS1	REAL250004635435	0	33	-1.0	-49.79	281.35	4.00	-45.79
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CS1	REAL250004635435	1	33	-1.0	-49.80	281.42	4.00	-45.80
CCCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N=N1	REAL250004635437	0	38	-1.0	-48.23	317.42	2.25	-45.98
CCCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N=N1	REAL250004635437	1	38	-1.0	-48.22	317.35	2.25	-45.97
COC(=O)[C@@H]1[C@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)C1(C)C	REAL250004635438	0	39	-1.0	-53.78	312.15	3.76	-50.02
COC(=O)[C@@H]1[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)C1(C)C	REAL250004635438	1	39	-1.0	-53.73	312.23	3.75	-49.98
CCC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004635439	0	34	-1.0	-60.64	282.65	2.60	-58.04
CCC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004635439	1	34	-1.0	-60.66	282.71	2.60	-58.06
CC1=NOC2(CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)C2)C1	REAL250004635440	0	38	-1.0	-62.73	308.96	2.68	-60.05
CC1=NOC2(CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)C2)C1	REAL250004635440	1	38	-1.0	-62.76	309.03	2.67	-60.09
CCCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004635441	0	39	-1.0	-54.00	319.46	3.29	-50.71
CCCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004635441	1	39	-1.0	-53.99	319.53	3.30	-50.69
CCCC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635442	0	39	-1.0	-47.96	317.13	3.34	-44.62
CCCC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635442	1	39	-1.0	-48.00	317.19	3.33	-44.67
CC(C)CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL250004635444	0	38	-1.0	-47.90	312.65	3.67	-44.23
CC(C)CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL250004635444	1	38	-1.0	-47.84	312.71	3.67	-44.17
CC1=C(C2CC2)ON=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635445	0	36	-1.0	-48.26	301.58	3.83	-44.43
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O=C(NC1(C2=NN=N[N-]2)CCC1)C(F)C1CCOCC1	REAL250004635446	1	37	-1.0	-51.51	296.30	1.99	-49.52
CCC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004635447	0	35	-1.0	-51.54	291.87	3.23	-48.31
CCC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004635447	1	35	-1.0	-51.60	291.93	3.23	-48.37
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)SN=C1	REAL250004635448	0	29	-1.0	-46.99	256.81	1.82	-45.17
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)SN=C1	REAL250004635448	1	29	-1.0	-46.96	256.75	1.82	-45.14
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC2=NNN=C21	REAL250004635449	0	35	-1.0	-49.69	293.19	1.43	-48.26
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC2=NNN=C21	REAL250004635449	1	35	-1.0	-49.72	293.26	1.43	-48.29
CC1(C)NC(=O)CC1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635450	0	37	-1.0	-58.49	296.16	0.00	-58.49
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CC(C)(F)CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636595	0	41	-1.0	-43.80	319.10	5.34	-38.46
CC(C)(F)CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636595	1	41	-1.0	-43.77	319.16	5.36	-38.41
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COCC(C)(O)CC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636597	0	43	-1.0	-49.72	332.86	1.70	-48.02
COCC(C)(O)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636597	1	43	-1.0	-49.65	332.92	1.72	-47.93
CCC1=NOC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004636599	0	40	-1.0	-43.26	316.59	4.62	-38.64
CCC1=NOC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004636599	1	40	-1.0	-43.24	316.65	4.63	-38.61
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)SN=C1	REAL250004636600	0	35	-1.0	-41.85	293.77	3.56	-38.29
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)SN=C1	REAL250004636600	1	35	-1.0	-41.79	293.71	3.55	-38.24
CC(C)(CCC#N)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636601	0	42	-1.0	-43.84	317.89	4.86	-38.98
CC(C)(CCC#N)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636601	1	42	-1.0	-43.85	317.95	4.87	-38.98
C#CCOCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636602	0	35	-1.0	-50.32	293.93	4.12	-46.20
C#CCOCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636602	1	35	-1.0	-50.28	293.99	4.14	-46.14
C#C[C@H]1C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636603	0	35	-1.0	-40.95	286.14	5.12	-35.83
C#C[C@H]1C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636603	1	35	-1.0	-40.92	286.20	5.13	-35.79
O=C([C@H]1CC(=O)N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636604	0	34	-1.0	-43.20	277.81	-0.18	-43.38
O=C([C@H]1CC(=O)N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636604	1	34	-1.0	-43.19	277.87	-0.16	-43.35
O=C(C1=COC(Cl)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636605	0	33	-1.0	-44.30	286.66	3.89	-40.41
O=C(C1=COC(Cl)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636605	1	33	-1.0	-44.28	286.72	3.90	-40.38
O=C(C1C2C3CC1CC32)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636606	0	41	-1.0	-38.62	307.17	5.93	-32.69
O=C(C1C2C3CC1CC32)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636606	1	41	-1.0	-38.65	307.24	5.95	-32.70
O=C(C=CC1CCC1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636607	0	40	-1.0	-43.96	314.40	5.91	-38.05
O=C(C=CC1CCC1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636607	1	40	-1.0	-43.99	314.47	5.93	-38.06
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CN1C	REAL250004636608	0	40	-1.0	-43.43	315.23	5.23	-38.20
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CN1C	REAL250004636608	1	40	-1.0	-43.45	315.30	5.25	-38.20
O=C(CC1=CN=NS1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636609	0	34	-1.0	-42.34	292.33	2.87	-39.47
O=C(CC1=CN=NS1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636609	1	34	-1.0	-42.36	292.39	2.89	-39.47
CCCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004636610	0	37	-1.0	-51.39	318.81	1.57	-49.82
CCCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004636610	1	37	-1.0	-51.42	318.87	1.59	-49.83
CN(CCN1C=NN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004636611	0	34	-1.0	-54.04	293.85	5.91	-48.13
CN(CCN1C=NN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004636611	1	34	-1.0	-53.99	293.79	5.89	-48.10
CN(CCN1C=NN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636612	0	34	-1.0	-41.81	301.26	6.30	-35.51
CN(CCN1C=NN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636612	1	34	-1.0	-41.82	301.19	6.30	-35.52
C[C@H](CC1=CN(C)N=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004636613	0	37	-1.0	-60.15	317.61	1.60	-58.55
C[C@H](CC1=CN(C)N=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004636613	1	37	-1.0	-60.19	317.67	1.62	-58.57
CC1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004636614	0	35	-1.0	-46.72	301.09	1.04	-45.68
CC1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004636614	1	35	-1.0	-46.73	301.14	1.06	-45.67
CC1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL250004636615	0	35	-1.0	-36.96	311.67	0.83	-36.13
CC1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL250004636615	1	35	-1.0	-36.96	311.75	0.84	-36.12
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004636616	0	28	-1.0	-38.81	262.81	-0.12	-38.93
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004636616	1	28	-1.0	-38.92	262.75	-0.13	-39.05
O=C(CCCC1=N[N-]N=N1)NCC12CCC(CC1)O2	REAL250004636617	0	37	-1.0	-47.05	297.06	1.88	-45.17
O=C(CCCC1=NN=N[N-]1)NCC12CCC(CC1)O2	REAL250004636617	1	37	-1.0	-47.09	297.12	1.90	-45.19
CN(CCS(N)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004636618	0	33	-1.0	-56.63	293.99	-2.43	-59.06
CN(CCS(N)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004636618	1	33	-1.0	-56.63	294.05	-2.41	-59.04
O=C(CCCC1=N[N-]N=N1)NC1=CSC=C1Cl	REAL250004636619	0	26	-1.0	-44.32	257.04	2.85	-41.47
O=C(CCCC1=NN=N[N-]1)NC1=CSC=C1Cl	REAL250004636619	1	26	-1.0	-44.33	257.09	2.86	-41.47
CC1=NON=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004636620	0	30	-1.0	-47.89	271.30	0.04	-47.85
CC1=NON=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004636620	1	30	-1.0	-47.85	271.36	0.05	-47.80
CC1=NON=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636621	0	30	-1.0	-38.83	281.89	-0.18	-39.01
CC1=NON=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636621	1	30	-1.0	-38.82	281.96	-0.17	-38.99
O=C(NCCC1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636622	0	38	-1.0	-52.85	313.25	6.22	-46.63
O=C(NCCC1CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636622	1	38	-1.0	-52.70	313.73	6.22	-46.48
O=C(NCCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636623	0	35	-1.0	-34.92	299.49	3.11	-31.81
O=C(NCCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636623	1	35	-1.0	-34.88	299.57	3.12	-31.76
O=C(CCCC1=N[N-]N=N1)NCCCC1C=CCC1	REAL250004636625	0	39	-1.0	-46.69	318.03	4.51	-42.18
O=C(CCCC1=NN=N[N-]1)NCCCC1C=CCC1	REAL250004636625	1	39	-1.0	-46.73	318.09	4.53	-42.20
O=C(NCCCC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636626	0	39	-1.0	-35.23	328.63	4.31	-30.92
O=C(NCCCC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636626	1	39	-1.0	-35.25	328.69	4.32	-30.93
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O=C(NC[C@@H]1C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636628	0	33	-1.0	-36.84	289.34	-1.08	-37.92
O=C(NC[C@@H]1C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636628	1	33	-1.0	-36.82	289.41	-1.07	-37.89
CC1(NC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004636629	0	32	-1.0	-46.21	275.10	2.69	-43.52
CC1(NC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004636629	1	32	-1.0	-46.21	275.16	2.71	-43.50
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL250004636630	0	32	-1.0	-36.99	285.70	2.51	-34.48
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL250004636630	1	32	-1.0	-37.01	285.77	2.51	-34.50
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)C1	REAL250004636631	0	33	-1.0	-52.42	270.19	0.41	-52.01
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)C1	REAL250004636631	1	33	-1.0	-52.46	270.25	0.42	-52.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCNC(=O)C1	REAL250004636632	0	33	-1.0	-44.39	275.48	0.99	-43.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCNC(=O)C1	REAL250004636632	1	33	-1.0	-44.41	275.55	1.00	-43.41
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004636633	0	34	-1.0	-47.81	274.39	1.95	-45.86
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2COC[C@@H]2C1	REAL250004636633	1	34	-1.0	-47.84	274.44	1.97	-45.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004636634	0	34	-1.0	-35.93	281.01	2.17	-33.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004636634	1	34	-1.0	-35.94	281.07	2.19	-33.75
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCCC2O1	REAL250004636635	0	40	-1.0	-46.73	316.88	2.56	-44.17
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCCC2O1	REAL250004636635	1	40	-1.0	-46.70	316.93	2.57	-44.13
C#C[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004636636	0	37	-1.0	-48.69	308.01	4.25	-44.44
C#C[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004636636	1	37	-1.0	-48.70	308.06	4.26	-44.44
C#C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004636637	0	37	-1.0	-36.26	318.59	4.04	-32.22
C#C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004636637	1	37	-1.0	-36.28	318.66	4.06	-32.22
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCOC[C@H]1O	REAL250004636638	0	34	-1.0	-48.95	283.35	-2.54	-51.49
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCOC[C@H]1O	REAL250004636638	1	34	-1.0	-48.94	283.41	-2.52	-51.46
O=C(N[C@@H]1CCOC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636639	0	34	-1.0	-37.79	293.94	-2.74	-40.53
O=C(N[C@@H]1CCOC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636639	1	34	-1.0	-37.83	294.01	-2.72	-40.55
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(Cl)=C1	REAL250004636640	0	33	-1.0	-47.32	306.13	1.18	-46.14
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(Cl)=C1	REAL250004636640	1	33	-1.0	-47.35	306.19	1.19	-46.16
O=C(NCC1=NC=CC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636641	0	33	-1.0	-55.46	293.42	3.59	-51.87
O=C(NCC1=NC=CC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636641	1	33	-1.0	-55.23	293.52	3.62	-51.61
O=C(NCC1=NC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636642	0	30	-1.0	-39.40	279.64	0.49	-38.91
O=C(NCC1=NC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636642	1	30	-1.0	-39.36	279.71	0.49	-38.87
CCCC1(CCC)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004636643	0	47	-1.0	-48.45	350.25	7.33	-41.12
CCCC1(CCC)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004636643	1	47	-1.0	-48.47	350.30	7.34	-41.13
CNC(=O)CN(CC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004636644	0	39	-1.0	-58.72	336.04	-0.67	-59.39
CNC(=O)CN(CC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004636644	1	39	-1.0	-58.71	336.09	-0.66	-59.37
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCNC2=O)CC1	REAL250004636645	0	40	-1.0	-51.88	310.24	1.56	-50.32
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCNC2=O)CC1	REAL250004636645	1	40	-1.0	-51.88	310.30	1.57	-50.31
CN(C)C1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004636646	0	38	-1.0	-50.11	322.10	1.06	-49.05
CN(C)C1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004636646	1	38	-1.0	-50.11	322.16	1.08	-49.03
CCC1(CC)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004636647	0	41	-1.0	-48.20	307.24	5.83	-42.37
CCC1(CC)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004636647	1	41	-1.0	-48.22	307.30	5.84	-42.38
CC1=CC(F)=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636648	0	33	-1.0	-52.68	297.49	4.63	-48.05
CC1=CC(F)=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636648	1	33	-1.0	-52.70	297.55	4.64	-48.06
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCCCC1	REAL250004636649	0	42	-1.0	-50.06	318.53	1.66	-48.40
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCCCC1	REAL250004636649	1	42	-1.0	-50.02	318.59	1.67	-48.35
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOC1=O	REAL250004636650	0	38	-1.0	-52.89	317.47	3.12	-49.77
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOC1=O	REAL250004636650	1	38	-1.0	-52.92	317.53	3.14	-49.78
CCOC(=O)C(CC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004636651	0	41	-1.0	-44.79	340.88	4.52	-40.27
CCOC(=O)C(CC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004636651	1	41	-1.0	-44.80	340.94	4.54	-40.26
O=C(CCCC1=N[N-]N=N1)NCC1=NC=C(Cl)S1	REAL250004636652	0	28	-1.0	-45.28	280.93	1.23	-44.05
O=C(CCCC1=NN=N[N-]1)NCC1=NC=C(Cl)S1	REAL250004636652	1	28	-1.0	-45.29	280.99	1.25	-44.04
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(CO)=N1	REAL250004636653	0	36	-1.0	-49.68	316.96	-0.76	-50.44
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NC(CO)=N1	REAL250004636653	1	36	-1.0	-49.71	317.01	-0.75	-50.46
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=N1	REAL250004636654	0	30	-1.0	-45.83	273.64	2.33	-43.50
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=N1	REAL250004636654	1	30	-1.0	-45.86	273.69	2.35	-43.51
CC1=NC=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004636655	0	36	-1.0	-46.96	305.79	1.17	-45.79
CC1=NC=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004636655	1	36	-1.0	-46.99	305.85	1.18	-45.81
C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636656	0	47	-1.0	-45.85	345.33	5.07	-40.78
C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636656	1	47	-1.0	-45.92	345.39	5.09	-40.83
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC12CCC2	REAL250004636657	0	36	-1.0	-58.97	293.91	6.26	-52.71
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC12CCC2	REAL250004636657	1	36	-1.0	-58.62	294.54	6.29	-52.33
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCC2	REAL250004636658	0	33	-1.0	-38.29	282.06	3.72	-34.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCC2	REAL250004636658	1	33	-1.0	-38.27	282.13	3.72	-34.55
CONC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004636659	0	40	-1.0	-59.09	327.42	2.74	-56.35
CONC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004636659	1	40	-1.0	-59.11	327.48	2.76	-56.35
CC(C)OC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004636660	0	42	-1.0	-45.16	339.54	3.05	-42.11
CC(C)OC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004636660	1	42	-1.0	-45.19	339.60	3.06	-42.13
CC1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636661	0	35	-1.0	-47.06	298.94	4.28	-42.78
CC1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636661	1	35	-1.0	-47.06	299.00	4.30	-42.76
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL250004636662	0	39	-1.0	-46.91	315.54	6.53	-40.38
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL250004636662	1	39	-1.0	-46.90	315.60	6.55	-40.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCCC2=N1	REAL250004636663	0	38	-1.0	-54.51	312.24	5.48	-49.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCCC2=N1	REAL250004636663	1	38	-1.0	-54.54	312.30	5.49	-49.05
O=C(CCCC1=N[N-]N=N1)NOC1=CC=CC=C1F	REAL250004636664	0	30	-1.0	-53.76	276.79	4.35	-49.41
O=C(CCCC1=NN=N[N-]1)NOC1=CC=CC=C1F	REAL250004636664	1	30	-1.0	-53.80	276.85	4.36	-49.44
C=CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004636665	0	41	-1.0	-46.68	326.06	4.10	-42.58
C=CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004636665	1	41	-1.0	-46.71	326.12	4.11	-42.60
COCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636666	0	41	-1.0	-47.95	327.51	2.10	-45.85
COCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636666	1	41	-1.0	-47.95	327.56	2.11	-45.84
CNC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004636667	0	33	-1.0	-55.52	291.61	-1.08	-56.60
CNC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004636667	1	33	-1.0	-55.51	291.67	-1.07	-56.58
CN(C)C1=CC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636668	0	37	-1.0	-48.18	312.69	3.27	-44.91
CN(C)C1=CC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636668	1	37	-1.0	-48.18	312.74	3.28	-44.90
CCC1COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636670	0	44	-1.0	-47.66	342.87	0.20	-47.46
CCC1COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636670	1	44	-1.0	-47.70	342.93	0.22	-47.48
C[C@@H]1CC(C)(C)C[C@@](C)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636671	0	47	-1.0	-46.34	339.80	5.95	-40.39
C[C@@H]1CC(C)(C)C[C@@](C)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636671	1	47	-1.0	-46.32	339.86	5.96	-40.36
CC1(C)COC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636672	0	39	-1.0	-46.78	316.66	1.93	-44.85
CC1(C)COC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636672	1	39	-1.0	-46.81	316.72	1.94	-44.87
CCN(CC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004636673	0	38	-1.0	-46.80	316.20	1.95	-44.85
CCN(CC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004636673	1	38	-1.0	-46.87	316.26	1.96	-44.91
CCOC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004636674	0	39	-1.0	-48.86	326.55	5.31	-43.55
CCOC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004636674	1	39	-1.0	-48.89	326.60	5.33	-43.56
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)CC12CCC2	REAL250004636675	0	40	-1.0	-49.11	308.71	1.62	-47.49
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)CC12CCC2	REAL250004636675	1	40	-1.0	-49.14	308.76	1.63	-47.51
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)F)C1	REAL250004636676	0	33	-1.0	-49.02	281.63	2.19	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)F)C1	REAL250004636676	1	33	-1.0	-49.01	281.69	2.21	-46.80
O=C(CCCC1=N[N-]N=N1)N1CCC2(CS(=O)(=O)C2)C1	REAL250004636677	0	36	-1.0	-53.45	305.87	0.62	-52.83
O=C(CCCC1=NN=N[N-]1)N1CCC2(CS(=O)(=O)C2)C1	REAL250004636677	1	36	-1.0	-53.43	305.93	0.63	-52.80
CCOC(=O)C(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636678	0	41	-1.0	-50.27	344.21	4.89	-45.38
CCOC(=O)C(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636678	1	41	-1.0	-50.28	344.27	4.91	-45.37
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(C)=C1	REAL250004636679	0	38	-1.0	-47.25	321.33	6.62	-40.63
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(C)=C1	REAL250004636679	1	38	-1.0	-47.26	321.39	6.63	-40.63
COCC1(N(C)C(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004636680	0	39	-1.0	-47.80	309.61	3.26	-44.54
COCC1(N(C)C(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004636680	1	39	-1.0	-47.81	309.67	3.27	-44.54
CC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004636681	0	37	-1.0	-53.94	300.87	4.12	-49.82
CC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004636681	1	37	-1.0	-53.95	300.93	4.13	-49.82
CC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636682	0	37	-1.0	-51.10	300.59	4.07	-47.03
CC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636682	1	37	-1.0	-51.11	300.65	4.09	-47.02
CC(C)(O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636683	0	42	-1.0	-49.11	319.56	2.25	-46.86
CC(C)(O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636683	1	42	-1.0	-49.11	319.61	2.26	-46.85
O=C(CCCC1=N[N-]N=N1)N1CCOC(CCO)C1	REAL250004636684	0	37	-1.0	-48.65	301.44	-0.58	-49.23
O=C(CCCC1=NN=N[N-]1)N1CCOC(CCO)C1	REAL250004636684	1	37	-1.0	-48.68	301.49	-0.56	-49.24
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004636685	0	43	-1.0	-46.62	321.17	5.30	-41.32
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004636685	1	43	-1.0	-46.62	321.23	5.31	-41.31
O=C(NC1CC12CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636686	0	36	-1.0	-52.73	303.00	6.22	-46.51
O=C(NC1CC12CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636686	1	36	-1.0	-52.64	303.47	6.20	-46.44
O=C(NC1CC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636687	0	33	-1.0	-34.97	289.24	3.09	-31.88
O=C(NC1CC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636687	1	33	-1.0	-34.92	289.31	3.10	-31.82
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)(CO)CC1	REAL250004636688	0	40	-1.0	-48.12	308.52	-0.59	-48.71
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)(CO)CC1	REAL250004636688	1	40	-1.0	-48.12	308.57	-0.57	-48.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=NC=CC=C12	REAL250004636689	0	37	-1.0	-47.94	317.01	3.69	-44.25
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=NC=CC=C12	REAL250004636689	1	37	-1.0	-47.93	317.07	3.71	-44.22
CCOC1CC2(CC2NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636690	0	40	-1.0	-47.13	333.90	3.27	-43.86
CCOC1CC2(CC2NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636690	1	40	-1.0	-47.17	333.96	3.28	-43.89
CN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636691	0	35	-1.0	-59.42	302.06	6.53	-52.89
CN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636691	1	35	-1.0	-59.41	302.00	6.52	-52.89
CC1=CC(C#N)=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636692	0	39	-1.0	-50.70	336.73	5.08	-45.62
CC1=CC(C#N)=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636692	1	39	-1.0	-50.70	336.79	5.10	-45.60
O=C(CCCC1=N[N-]N=N1)NCCC1CNC(=O)C1	REAL250004636693	0	36	-1.0	-54.75	302.21	-0.43	-55.18
O=C(CCCC1=NN=N[N-]1)NCCC1CNC(=O)C1	REAL250004636693	1	36	-1.0	-54.75	302.26	-0.41	-55.16
O=C(CCCC1=N[N-]N=N1)NC[C@]12CCC[C@H]1OCC2	REAL250004636694	0	40	-1.0	-47.80	315.43	2.52	-45.28
O=C(CCCC1=NN=N[N-]1)NC[C@]12CCC[C@H]1OCC2	REAL250004636694	1	40	-1.0	-47.80	315.48	2.54	-45.26
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)OCCO2	REAL250004636695	0	38	-1.0	-48.52	315.59	1.27	-47.25
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)OCCO2	REAL250004636695	1	38	-1.0	-48.60	315.65	1.28	-47.32
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004636696	0	38	-1.0	-46.56	317.28	4.87	-41.69
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004636696	1	38	-1.0	-46.56	317.34	4.89	-41.67
CC1=CC(F)=CC=C1[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004636697	0	38	-1.0	-46.58	317.80	4.91	-41.67
CC1=CC(F)=CC=C1[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004636697	1	38	-1.0	-46.59	317.86	4.92	-41.67
C=C1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004636698	0	39	-1.0	-46.38	313.63	4.33	-42.05
C=C1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004636698	1	39	-1.0	-46.38	313.69	4.34	-42.04
C=C1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004636699	0	39	-1.0	-34.95	324.25	4.12	-30.83
C=C1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004636699	1	39	-1.0	-34.92	324.32	4.13	-30.79
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(CC2)C1	REAL250004636700	0	33	-1.0	-56.10	278.91	5.96	-50.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(CC2)C1	REAL250004636700	1	33	-1.0	-55.31	279.54	6.00	-49.31
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2)C1	REAL250004636701	0	30	-1.0	-36.85	267.22	3.39	-33.46
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2)C1	REAL250004636701	1	30	-1.0	-36.85	267.29	3.40	-33.45
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004636702	0	38	-1.0	-48.28	317.42	4.04	-44.24
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004636702	1	38	-1.0	-48.28	317.48	4.06	-44.22
O=C(CCCC1=N[N-]N=N1)NCC1=C(F)C=C(F)C=C1F	REAL250004636703	0	32	-1.0	-46.33	296.11	3.59	-42.74
O=C(CCCC1=NN=N[N-]1)NCC1=C(F)C=C(F)C=C1F	REAL250004636703	1	32	-1.0	-46.33	296.17	3.60	-42.73
O=C(CCCC1=N[N-]N=N1)N1CCN2C=CC=C2C1	REAL250004636704	0	34	-1.0	-46.79	281.31	4.59	-42.20
O=C(CCCC1=NN=N[N-]1)N1CCN2C=CC=C2C1	REAL250004636704	1	34	-1.0	-46.83	281.37	4.61	-42.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=CC=C2C1	REAL250004636705	0	34	-1.0	-36.97	288.65	4.87	-32.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=CC=C2C1	REAL250004636705	1	34	-1.0	-36.98	288.72	4.87	-32.11
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	REAL250004636706	0	38	-1.0	-48.70	303.27	2.17	-46.53
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	REAL250004636706	1	38	-1.0	-48.75	303.33	2.19	-46.56
O=C(CCCC1=N[N-]N=N1)NCC1C[C@@H]2COC[C@@H]2O1	REAL250004636707	0	38	-1.0	-47.49	309.01	-0.01	-47.50
O=C(CCCC1=NN=N[N-]1)NCC1C[C@@H]2COC[C@@H]2O1	REAL250004636707	1	38	-1.0	-47.49	309.06	0.00	-47.49
O=C(NCCCC(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636708	0	34	-1.0	-55.04	299.58	5.17	-49.87
O=C(NCCCC(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636708	1	34	-1.0	-54.83	299.64	5.19	-49.64
O=C(NCCCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636709	0	31	-1.0	-37.29	285.42	2.08	-35.21
O=C(NCCCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636709	1	31	-1.0	-37.31	285.49	2.09	-35.22
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C#N	REAL250004636711	0	36	-1.0	-49.05	319.10	4.37	-44.68
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C#N	REAL250004636711	1	36	-1.0	-49.04	319.15	4.39	-44.65
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C(F)(F)F	REAL250004636712	0	32	-1.0	-46.88	289.90	3.05	-43.83
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C(F)(F)F	REAL250004636712	1	32	-1.0	-46.94	289.96	3.07	-43.87
O=C(NCCC1CC=CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636713	0	39	-1.0	-53.18	321.74	6.66	-46.52
O=C(NCCC1CC=CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636713	1	39	-1.0	-53.01	321.84	6.69	-46.32
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CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004636715	0	37	-1.0	-48.20	313.21	2.80	-45.40
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004636715	1	37	-1.0	-48.17	313.27	2.82	-45.35
NC(=O)CC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636716	0	36	-1.0	-54.16	304.08	-0.61	-54.77
NC(=O)CC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636716	1	36	-1.0	-54.16	304.14	-0.60	-54.76
N#CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004636717	0	36	-1.0	-53.56	300.37	6.40	-47.16
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N#CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004636718	0	33	-1.0	-38.55	284.71	4.13	-34.42
N#CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004636718	1	33	-1.0	-38.54	284.78	4.14	-34.40
CC(C)(C)OC[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004636719	0	45	-1.0	-47.48	348.52	4.90	-42.58
CC(C)(C)OC[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004636719	1	45	-1.0	-47.51	348.58	4.91	-42.60
O=C(CCCC1=N[N-]N=N1)NCC1=CC(C2CC2)=NO1	REAL250004636720	0	35	-1.0	-46.95	306.17	3.14	-43.81
O=C(CCCC1=NN=N[N-]1)NCC1=CC(C2CC2)=NO1	REAL250004636720	1	35	-1.0	-46.94	306.23	3.15	-43.79
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCO2)C1	REAL250004636721	0	40	-1.0	-51.40	320.76	3.76	-47.64
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N#CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004636722	1	31	-1.0	-47.78	288.00	2.70	-45.08
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O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC2=CC=CN=C21	REAL250004636723	1	35	-1.0	-52.82	305.31	1.70	-51.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CC(=O)NC2=C1	REAL250004636724	0	34	-1.0	-53.06	294.98	1.83	-51.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CC(=O)NC2=C1	REAL250004636724	1	34	-1.0	-53.06	295.04	1.84	-51.22
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=CC=CC=C21	REAL250004636725	0	34	-1.0	-48.77	302.44	2.85	-45.92
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=CC=CC=C21	REAL250004636725	1	34	-1.0	-48.79	302.49	2.87	-45.92
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCO[C@H]1C1CC1	REAL250004636726	0	37	-1.0	-46.34	305.30	2.48	-43.86
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCO[C@H]1C1CC1	REAL250004636726	1	37	-1.0	-46.36	305.36	2.50	-43.86
CO[C@]12CCC[C@@]1(NC(=O)CCCC1=N[N-]N=N1)CCO2	REAL250004636727	0	41	-1.0	-44.71	318.24	1.77	-42.94
CO[C@]12CCC[C@@]1(NC(=O)CCCC1=NN=N[N-]1)CCO2	REAL250004636727	1	41	-1.0	-44.75	318.29	1.78	-42.97
CC(C)(C)OC[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004636728	0	45	-1.0	-47.50	348.56	4.91	-42.59
CC(C)(C)OC[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004636728	1	45	-1.0	-47.52	348.62	4.92	-42.60
CC1=CC(Cl)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004636729	0	34	-1.0	-46.03	304.46	4.21	-41.82
CC1=CC(Cl)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004636729	1	34	-1.0	-46.07	304.52	4.23	-41.84
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004636730	0	34	-1.0	-46.11	305.36	4.08	-42.03
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004636730	1	34	-1.0	-46.10	305.42	4.09	-42.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CO1	REAL250004636731	0	31	-1.0	-46.84	274.67	-0.90	-47.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CO1	REAL250004636731	1	31	-1.0	-46.83	274.73	-0.89	-47.72
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC=CO1	REAL250004636732	0	34	-1.0	-51.54	299.04	2.01	-49.53
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC=CO1	REAL250004636732	1	34	-1.0	-51.33	299.15	2.03	-49.30
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CO1	REAL250004636733	0	31	-1.0	-37.89	285.26	-1.11	-39.00
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CO1	REAL250004636733	1	31	-1.0	-37.87	285.33	-1.10	-38.97
CN(C)C(=O)C1=CNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636735	0	36	-1.0	-57.34	306.66	0.93	-56.41
CN(C)C(=O)C1=CNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636735	1	36	-1.0	-57.38	306.71	0.95	-56.43
COC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C#N	REAL250004636736	0	33	-1.0	-52.57	300.70	0.51	-52.06
COC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C#N	REAL250004636736	1	33	-1.0	-52.57	300.64	0.50	-52.07
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1C(=O)N=CN2	REAL250004636737	0	34	-1.0	-59.66	293.62	2.07	-57.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1C(=O)N=CN2	REAL250004636737	1	34	-1.0	-59.72	293.68	2.08	-57.64
NC(=O)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004636738	0	29	-1.0	-51.47	276.03	-2.58	-54.05
NC(=O)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004636738	1	29	-1.0	-51.49	275.97	-2.59	-54.08
O=C(CCCC1=N[N-]N=N1)N1CC(CO)(CO)C1	REAL250004636739	0	34	-1.0	-49.07	287.06	-1.65	-50.72
O=C(CCCC1=NN=N[N-]1)N1CC(CO)(CO)C1	REAL250004636739	1	34	-1.0	-49.06	287.12	-1.63	-50.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CO)(CO)C1	REAL250004636740	0	34	-1.0	-40.75	294.75	-1.71	-42.46
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CO)(CO)C1	REAL250004636740	1	34	-1.0	-40.67	294.82	-1.70	-42.37
CN1C=CN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636741	0	35	-1.0	-53.51	301.10	2.58	-50.93
CN1C=CN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636741	1	35	-1.0	-53.53	301.16	2.60	-50.93
CN1C=CN=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636742	0	35	-1.0	-40.94	310.83	2.35	-38.59
CN1C=CN=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636742	1	35	-1.0	-40.92	310.90	2.36	-38.56
COC1=CC=NC(OC)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636743	0	36	-1.0	-52.39	313.95	-0.41	-52.80
COC1=CC=NC(OC)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636743	1	36	-1.0	-52.41	313.89	-0.42	-52.83
CC1=NC=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C12	REAL250004636744	0	37	-1.0	-49.14	309.75	4.49	-44.65
CC1=NC=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C12	REAL250004636744	1	37	-1.0	-49.14	309.81	4.50	-44.64
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)CC(F)F	REAL250004636745	0	31	-1.0	-51.86	273.30	3.81	-48.05
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)CC(F)F	REAL250004636745	1	31	-1.0	-51.87	273.35	3.82	-48.05
NC(=O)C1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636746	0	34	-1.0	-50.11	294.17	-2.24	-52.35
NC(=O)C1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636746	1	34	-1.0	-50.12	294.22	-2.22	-52.34
CCC1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636747	0	38	-1.0	-52.94	322.29	3.45	-49.49
CCC1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636747	1	38	-1.0	-52.97	322.35	3.46	-49.51
CC(C)C1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004636748	0	37	-1.0	-47.22	307.52	3.83	-43.39
CC(C)C1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004636748	1	37	-1.0	-47.25	307.57	3.84	-43.41
CC1=NN=C(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)N1	REAL250004636750	0	35	-1.0	-55.72	301.52	3.06	-52.66
CC1=NN=C(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)N1	REAL250004636750	1	35	-1.0	-55.71	301.58	3.08	-52.63
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004636751	0	42	-1.0	-48.73	333.04	7.23	-41.50
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004636751	1	42	-1.0	-48.76	333.10	7.25	-41.51
COC(=O)N[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636752	0	37	-1.0	-49.60	312.88	0.66	-48.94
COC(=O)N[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636752	1	37	-1.0	-49.64	312.93	0.67	-48.97
COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004636753	0	35	-1.0	-55.30	300.91	2.53	-52.77
COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004636753	1	35	-1.0	-55.30	300.97	2.55	-52.75
O=C(NC1(C2CC2)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636754	0	39	-1.0	-53.73	313.03	6.83	-46.90
O=C(NC1(C2CC2)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636754	1	39	-1.0	-53.38	313.24	6.89	-46.49
O=C(NC1(C2CC2)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636755	0	36	-1.0	-35.79	299.45	3.71	-32.08
O=C(NC1(C2CC2)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636755	1	36	-1.0	-35.76	299.52	3.72	-32.04
CN1CC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL250004636756	0	43	-1.0	-46.74	334.57	-0.49	-47.23
CN1CC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL250004636756	1	43	-1.0	-46.76	334.63	-0.47	-47.23
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1CC2CCC1C2	REAL250004636757	0	41	-1.0	-45.27	326.87	4.17	-41.10
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1CC2CCC1C2	REAL250004636757	1	41	-1.0	-45.26	326.93	4.18	-41.08
CNC(=O)NC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636758	0	41	-1.0	-55.22	331.69	0.62	-54.60
CNC(=O)NC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636758	1	41	-1.0	-55.25	331.74	0.64	-54.61
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=N2)C1	REAL250004636759	0	34	-1.0	-52.88	293.14	1.05	-51.83
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=N2)C1	REAL250004636759	1	34	-1.0	-52.91	293.19	1.07	-51.84
CC1CC2=NNC=C2CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636760	0	39	-1.0	-51.96	313.43	3.47	-48.49
CC1CC2=NNC=C2CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636760	1	39	-1.0	-52.02	313.48	3.48	-48.54
CCC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004636761	0	42	-1.0	-50.01	337.05	2.75	-47.26
CCC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004636761	1	42	-1.0	-50.04	337.11	2.77	-47.27
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC(O)CNC2=O	REAL250004636762	0	38	-1.0	-53.34	316.71	-2.14	-55.48
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC(O)CNC2=O	REAL250004636762	1	38	-1.0	-53.32	316.77	-2.13	-55.45
C=CCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636763	0	34	-1.0	-50.57	290.42	0.77	-49.80
C=CCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636763	1	34	-1.0	-50.59	290.48	0.78	-49.81
C=CCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004636764	0	34	-1.0	-39.40	298.43	0.70	-38.70
C=CCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004636764	1	34	-1.0	-39.39	298.50	0.71	-38.68
COC(CN(C(=O)CCCC1=N[N-]N=N1)C1CC1)OC	REAL250004636765	0	40	-1.0	-49.06	312.76	3.30	-45.76
COC(CN(C(=O)CCCC1=NN=N[N-]1)C1CC1)OC	REAL250004636765	1	40	-1.0	-49.08	312.82	3.31	-45.77
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C2CCCN12	REAL250004636766	0	36	-1.0	-49.87	305.09	3.04	-46.83
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C2CCCN12	REAL250004636766	1	36	-1.0	-49.91	305.15	3.06	-46.85
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004636767	0	34	-1.0	-49.76	275.66	2.17	-47.59
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCO[C@H]2C1	REAL250004636767	1	34	-1.0	-49.76	275.72	2.18	-47.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004636768	0	34	-1.0	-35.73	283.28	2.45	-33.28
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004636768	1	34	-1.0	-35.74	283.35	2.45	-33.29
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC[C@]2(CF)C1	REAL250004636769	0	36	-1.0	-50.86	294.41	4.67	-46.19
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC[C@]2(CF)C1	REAL250004636769	1	36	-1.0	-50.88	294.47	4.70	-46.18
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=C1COCC2	REAL250004636770	0	34	-1.0	-54.88	289.39	0.97	-53.91
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=C1COCC2	REAL250004636770	1	34	-1.0	-54.90	289.45	0.99	-53.91
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@@H](C)O	REAL250004636771	0	35	-1.0	-46.37	293.86	0.14	-46.23
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@@H](C)O	REAL250004636771	1	35	-1.0	-46.36	293.92	0.15	-46.21
C#CCN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636772	0	39	-1.0	-49.28	323.00	1.92	-47.36
C#CCN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636772	1	39	-1.0	-49.29	323.06	1.94	-47.35
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1OC	REAL250004636773	0	37	-1.0	-47.41	314.17	2.79	-44.62
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1OC	REAL250004636773	1	37	-1.0	-47.44	314.23	2.80	-44.64
CC1(C)COC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004636774	0	42	-1.0	-49.21	337.57	2.66	-46.55
CC1(C)COC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636774	1	42	-1.0	-49.21	337.63	2.68	-46.53
COC(=O)[C@@H](F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004636775	0	31	-1.0	-50.91	281.24	1.39	-49.52
COC(=O)[C@@H](F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004636775	1	31	-1.0	-50.91	281.30	1.40	-49.51
COC(=O)[C@@H](F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636776	0	31	-1.0	-38.73	291.83	1.17	-37.56
COC(=O)[C@@H](F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636776	1	31	-1.0	-38.72	291.90	1.18	-37.54
O=C(CCCC1=N[N-]N=N1)NCC1(C2(O)CCC2)CCC1	REAL250004636777	0	43	-1.0	-48.85	331.18	1.67	-47.18
O=C(CCCC1=NN=N[N-]1)NCC1(C2(O)CCC2)CCC1	REAL250004636777	1	43	-1.0	-48.90	331.24	1.68	-47.22
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1COC[C@@H]1O	REAL250004636778	0	34	-1.0	-50.51	284.37	-2.59	-53.10
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1COC[C@@H]1O	REAL250004636778	1	34	-1.0	-50.49	284.43	-2.58	-53.07
O=C(NC[C@@H]1COC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636779	0	34	-1.0	-38.18	295.00	-2.82	-41.00
O=C(NC[C@@H]1COC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636779	1	34	-1.0	-38.18	295.07	-2.82	-41.00
CCN(CC(OC)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004636780	0	39	-1.0	-48.55	312.25	3.02	-45.53
CCN(CC(OC)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004636780	1	39	-1.0	-48.58	312.30	3.04	-45.54
CC1=NNC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004636781	0	35	-1.0	-47.82	299.62	1.02	-46.80
CC1=NNC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004636781	1	35	-1.0	-47.78	299.56	1.00	-46.78
CC1=NNC(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636782	0	35	-1.0	-37.84	310.23	0.80	-37.04
CC1=NNC(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636782	1	35	-1.0	-37.86	310.16	0.80	-37.06
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O=C(CCCC1=NN=N[N-]1)N1CCSSCC1	REAL250004636783	1	31	-1.0	-48.49	271.24	4.85	-43.64
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O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CN=C2C1	REAL250004636784	1	35	-1.0	-47.38	290.48	4.00	-43.38
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O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C(F)(F)F	REAL250004636785	1	29	-1.0	-43.50	269.93	0.89	-42.61
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O=C(CCCC1=NN=N[N-]1)NCCN1C=CC(=O)NC1=O	REAL250004636787	1	35	-1.0	-59.55	309.16	-0.18	-59.73
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CNC=N1	REAL250004636788	0	33	-1.0	-52.96	290.84	-1.57	-54.53
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CNC=N1	REAL250004636788	1	33	-1.0	-52.92	290.90	-1.56	-54.48
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CN=CS1	REAL250004636789	0	32	-1.0	-48.76	294.83	-1.71	-50.47
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CN=CS1	REAL250004636789	1	32	-1.0	-48.81	294.77	-1.72	-50.53
CC1=CON=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004636790	0	31	-1.0	-48.71	274.92	1.42	-47.29
CC1=CON=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004636790	1	31	-1.0	-48.70	274.97	1.44	-47.26
CC1=CON=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004636791	0	34	-1.0	-53.63	299.29	4.31	-49.32
CC1=CON=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004636791	1	34	-1.0	-53.50	299.39	4.35	-49.15
CC1=CON=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004636792	0	31	-1.0	-38.22	285.51	1.21	-37.01
CC1=CON=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004636792	1	31	-1.0	-38.15	285.58	1.22	-36.93
CC(C)C1=C(NC(=O)CCCC2=N[N-]N=N2)C=NO1	REAL250004636793	0	34	-1.0	-49.21	290.27	2.98	-46.23
CC(C)C1=C(NC(=O)CCCC2=NN=N[N-]2)C=NO1	REAL250004636793	1	34	-1.0	-49.24	290.33	3.00	-46.24
CC(C)C1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NO1	REAL250004636794	0	34	-1.0	-35.23	300.84	2.79	-32.44
CC(C)C1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NO1	REAL250004636794	1	34	-1.0	-35.20	300.91	2.81	-32.39
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004636795	0	35	-1.0	-51.00	286.93	3.85	-47.15
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004636795	1	35	-1.0	-51.01	287.00	3.85	-47.16
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CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636797	0	39	-1.0	-55.60	310.76	5.85	-49.75
CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636797	1	39	-1.0	-55.66	310.82	5.86	-49.80
CCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636798	0	36	-1.0	-57.02	288.67	3.58	-53.44
CCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636798	1	36	-1.0	-57.05	288.74	3.58	-53.47
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CC1=CC=CC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636801	0	42	-1.0	-53.82	330.87	6.71	-47.11
CC1=CC=CC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636801	1	42	-1.0	-53.85	330.92	6.71	-47.14
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CC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636805	0	38	-1.0	-43.61	291.78	4.61	-39.00
CC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636805	1	38	-1.0	-43.60	291.85	4.61	-38.99
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O=C(C1CCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636807	0	42	-1.0	-43.47	314.42	5.63	-37.84
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CC(=O)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636808	0	39	-1.0	-64.11	314.58	1.55	-62.56
CC(=O)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636808	1	39	-1.0	-64.10	314.64	1.56	-62.54
CC(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636809	0	41	-1.0	-43.85	314.12	5.29	-38.56
CC(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636809	1	41	-1.0	-43.85	314.19	5.29	-38.56
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O=C(C1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636810	1	37	-1.0	-47.73	285.97	3.57	-44.16
CSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636811	0	33	-1.0	-55.55	277.13	3.71	-51.84
CSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636811	1	33	-1.0	-55.58	277.19	3.71	-51.87
CSCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636812	0	36	-1.0	-50.49	298.80	4.47	-46.02
CSCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636812	1	36	-1.0	-50.49	298.86	4.48	-46.01
CC(C)(C)SCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636813	0	42	-1.0	-55.39	333.47	5.71	-49.68
CC(C)(C)SCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636813	1	42	-1.0	-55.39	333.53	5.71	-49.68
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636814	0	36	-1.0	-58.52	295.48	3.78	-54.74
O=C(C1=CC=[N+]([O-])C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636814	1	36	-1.0	-58.57	295.54	3.78	-54.79
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004636815	0	36	-1.0	-52.49	292.51	4.25	-48.24
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004636815	1	36	-1.0	-52.51	292.58	4.26	-48.25
N#CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636816	0	37	-1.0	-58.83	309.25	5.53	-53.30
N#CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636816	1	37	-1.0	-58.86	309.32	5.54	-53.32
O=C(CC1CCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636817	0	45	-1.0	-43.92	333.38	6.49	-37.43
O=C(CC1CCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636817	1	45	-1.0	-43.95	333.44	6.49	-37.46
CC(=O)NC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636818	0	39	-1.0	-44.87	310.21	1.49	-43.38
CC(=O)NC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636818	1	39	-1.0	-44.85	310.27	1.50	-43.35
CC(NC(N)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636819	0	38	-1.0	-45.56	303.15	-1.30	-46.86
CC(NC(N)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636819	1	38	-1.0	-45.52	303.21	-1.28	-46.80
O=C(C1=NNC(=O)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636820	0	35	-1.0	-48.77	289.36	1.20	-47.57
O=C(C1=NNC(=O)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636820	1	35	-1.0	-48.78	289.42	1.21	-47.57
CC(=O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636821	0	37	-1.0	-50.24	298.66	3.90	-46.34
CC(=O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636821	1	37	-1.0	-50.21	298.72	3.91	-46.30
O=C(C1=CC=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636822	0	33	-1.0	-53.49	279.56	4.20	-49.29
O=C(C1=CC=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636822	1	33	-1.0	-53.51	279.63	4.20	-49.31
CC1=CN=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004636823	0	37	-1.0	-53.77	300.19	3.03	-50.74
CC1=CN=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004636823	1	37	-1.0	-53.76	300.25	3.03	-50.73
O=C(CC1=CSC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636824	0	36	-1.0	-53.26	304.06	5.16	-48.10
O=C(CC1=CSC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636824	1	36	-1.0	-53.28	304.12	5.16	-48.12
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004636825	0	39	-1.0	-55.43	309.55	5.82	-49.61
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004636825	1	39	-1.0	-55.42	309.60	5.83	-49.59
O=C(C1=CC=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636826	0	33	-1.0	-39.60	270.86	3.55	-36.05
O=C(C1=CC=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636826	1	33	-1.0	-39.64	270.92	3.55	-36.09
CC(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636827	0	36	-1.0	-50.06	292.73	0.87	-49.19
CC(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636827	1	36	-1.0	-50.05	292.79	0.88	-49.17
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC=C1	REAL250004636828	0	36	-1.0	-53.19	298.44	4.87	-48.32
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC=C1	REAL250004636828	1	36	-1.0	-53.20	298.50	4.88	-48.32
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL250004636829	0	36	-1.0	-54.16	300.56	4.94	-49.22
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL250004636829	1	36	-1.0	-54.19	300.62	4.95	-49.24
O=C(C=CC1=CC=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636830	0	37	-1.0	-53.96	305.53	4.88	-49.08
O=C(C=CC1=CC=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636830	1	37	-1.0	-53.97	305.59	4.89	-49.08
O=C(C1=CC=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636831	0	36	-1.0	-60.57	296.19	5.27	-55.30
O=C(C1=CC=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636831	1	36	-1.0	-60.63	296.26	5.27	-55.36
O=C(C1CCC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636832	0	37	-1.0	-51.78	294.80	1.02	-50.76
O=C(C1CCC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636832	1	37	-1.0	-51.78	294.86	1.03	-50.75
CCC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004636833	0	42	-1.0	-55.11	331.03	6.59	-48.52
CCC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004636833	1	42	-1.0	-55.14	331.09	6.59	-48.55
CC=CC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636834	0	37	-1.0	-54.13	301.76	5.25	-48.88
CC=CC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636834	1	37	-1.0	-54.11	301.82	5.25	-48.86
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636835	0	36	-1.0	-70.06	296.40	3.79	-66.27
O=C(C1=CC=C[N+]([O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636835	1	36	-1.0	-70.08	296.46	3.79	-66.29
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C)=C1	REAL250004636836	0	42	-1.0	-53.77	328.87	6.50	-47.27
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C)=C1	REAL250004636836	1	42	-1.0	-53.79	328.94	6.50	-47.29
N#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004636837	0	37	-1.0	-53.16	310.75	5.60	-47.56
N#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004636837	1	37	-1.0	-53.17	310.82	5.60	-47.57
O=C(C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636838	0	39	-1.0	-43.77	292.75	4.90	-38.87
O=C(C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636838	1	39	-1.0	-43.79	292.81	4.91	-38.88
CC1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636839	0	39	-1.0	-54.07	307.43	5.83	-48.24
CC1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636839	1	39	-1.0	-54.07	307.49	5.84	-48.23
CC1=CC=C(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636840	0	42	-1.0	-54.05	330.76	6.50	-47.55
CC1=CC=C(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636840	1	42	-1.0	-54.07	330.82	6.50	-47.57
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(C)=C1	REAL250004636841	0	42	-1.0	-54.85	332.73	6.53	-48.32
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(C)=C1	REAL250004636841	1	42	-1.0	-54.85	332.79	6.54	-48.31
O=C(CCC1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636842	0	45	-1.0	-44.12	339.33	6.60	-37.52
O=C(CCC1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636842	1	45	-1.0	-44.13	339.39	6.61	-37.52
O=C(C1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636843	0	35	-1.0	-52.70	284.85	3.44	-49.26
O=C(C1=CC=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636843	1	35	-1.0	-52.68	284.78	3.43	-49.25
O=C(C1=CC=C(F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636844	0	36	-1.0	-51.77	296.32	5.27	-46.50
O=C(C1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636844	1	36	-1.0	-51.75	296.39	5.28	-46.47
O=C(C1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636845	0	35	-1.0	-52.21	284.80	3.37	-48.84
O=C(C1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636845	1	35	-1.0	-52.18	284.73	3.36	-48.82
O=C(CC1=CC=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636846	0	36	-1.0	-53.65	304.31	5.31	-48.34
O=C(CC1=CC=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636846	1	36	-1.0	-53.68	304.37	5.32	-48.36
O=C(C1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636847	0	40	-1.0	-42.36	305.20	3.23	-39.13
O=C(C1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636847	1	40	-1.0	-42.37	305.27	3.24	-39.13
O=C(CC1C=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636848	0	40	-1.0	-45.00	308.98	5.75	-39.25
O=C(CC1C=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636848	1	40	-1.0	-44.97	309.05	5.76	-39.21
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CO1	REAL250004636849	0	36	-1.0	-53.59	291.57	4.07	-49.52
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CO1	REAL250004636849	1	36	-1.0	-53.61	291.64	4.07	-49.54
O=C(C1=CSC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636850	0	33	-1.0	-54.35	279.90	4.21	-50.14
O=C(C1=CSC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636850	1	33	-1.0	-54.35	279.97	4.21	-50.14
O=C(CN1CCCC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636851	0	40	-1.0	-59.78	319.11	3.85	-55.93
O=C(CN1CCCC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636851	1	40	-1.0	-59.77	319.18	3.86	-55.91
CC1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004636852	0	42	-1.0	-54.09	335.52	6.89	-47.20
CC1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004636852	1	42	-1.0	-54.10	335.59	6.89	-47.21
CC(=O)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636853	0	40	-1.0	-53.13	319.76	4.69	-48.44
CC(=O)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636853	1	40	-1.0	-53.15	319.83	4.70	-48.45
O=C(CN1C=NN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636854	0	34	-1.0	-69.01	282.94	2.73	-66.28
O=C(CN1C=NN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636854	1	34	-1.0	-68.99	282.90	2.73	-66.26
CC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636855	0	35	-1.0	-47.66	287.05	3.30	-44.36
CC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636855	1	35	-1.0	-47.65	287.11	3.30	-44.35
CC1=NOC(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636856	0	38	-1.0	-50.69	313.41	4.32	-46.37
CC1=NOC(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636856	1	38	-1.0	-50.75	313.47	4.33	-46.42
CN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004636857	0	36	-1.0	-53.32	292.68	2.96	-50.36
CN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004636857	1	36	-1.0	-53.32	292.62	2.95	-50.37
NC(=O)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636858	0	38	-1.0	-64.36	307.80	-1.25	-65.61
NC(=O)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636858	1	38	-1.0	-64.38	307.86	-1.24	-65.62
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SN=N1	REAL250004636859	0	34	-1.0	-48.52	288.76	2.41	-46.11
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SN=N1	REAL250004636859	1	34	-1.0	-48.55	288.83	2.41	-46.14
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1C	REAL250004636860	0	40	-1.0	-54.21	312.53	5.09	-49.12
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1C	REAL250004636860	1	40	-1.0	-54.22	312.60	5.10	-49.12
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC=C1	REAL250004636861	0	36	-1.0	-53.13	288.99	4.22	-48.91
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC=C1	REAL250004636861	1	36	-1.0	-53.18	289.05	4.22	-48.96
O=C(C1=COC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636862	0	33	-1.0	-56.67	270.91	3.30	-53.37
O=C(C1=COC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636862	1	33	-1.0	-56.72	270.97	3.30	-53.42
O=C(C1CC=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636863	0	40	-1.0	-40.55	305.59	5.50	-35.05
O=C(C1CC=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636863	1	40	-1.0	-40.62	305.64	5.51	-35.11
O=C(CCC1=CC=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636864	0	39	-1.0	-52.67	316.26	5.13	-47.54
O=C(CCC1=CC=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636864	1	39	-1.0	-52.72	316.32	5.14	-47.58
O=C(C1=CC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636865	0	34	-1.0	-56.77	273.47	3.52	-53.25
O=C(C1=CC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636865	1	34	-1.0	-56.79	273.53	3.52	-53.27
O=C(C1=CC(Cl)=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636866	0	34	-1.0	-55.72	290.48	4.02	-51.70
O=C(C1=CC(Cl)=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636866	1	34	-1.0	-55.71	290.54	4.03	-51.68
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004636867	0	40	-1.0	-45.43	308.88	4.70	-40.73
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004636867	1	40	-1.0	-45.38	308.94	4.72	-40.66
CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C	REAL250004636868	0	42	-1.0	-54.23	324.63	6.36	-47.87
CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C	REAL250004636868	1	42	-1.0	-54.26	324.70	6.37	-47.89
O=C(C1=CN=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636869	0	34	-1.0	-54.20	278.59	2.42	-51.78
O=C(C1=CN=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636869	1	34	-1.0	-54.18	278.53	2.42	-51.76
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1C	REAL250004636870	0	42	-1.0	-56.05	326.57	6.34	-49.71
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1C	REAL250004636870	1	42	-1.0	-56.02	326.63	6.34	-49.68
O=C(CN1C=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636871	0	36	-1.0	-62.89	294.36	3.62	-59.27
O=C(CN1C=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636871	1	36	-1.0	-62.88	294.32	3.59	-59.29
O=C(CC1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636872	0	42	-1.0	-44.09	316.78	5.84	-38.25
O=C(CC1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636872	1	42	-1.0	-44.05	316.84	5.85	-38.20
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)O1	REAL250004636873	0	39	-1.0	-52.85	313.42	4.93	-47.92
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)O1	REAL250004636873	1	39	-1.0	-52.85	313.49	4.93	-47.92
CCOC(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636874	0	40	-1.0	-50.45	325.43	1.21	-49.24
CCOC(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636874	1	40	-1.0	-50.46	325.49	1.21	-49.25
CCC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004636875	0	39	-1.0	-51.97	313.99	5.04	-46.93
CCC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004636875	1	39	-1.0	-52.00	314.06	5.04	-46.96
O=C(C1=CC=C(Cl)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636876	0	33	-1.0	-47.76	287.65	4.05	-43.71
O=C(C1=CC=C(Cl)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636876	1	33	-1.0	-47.79	287.71	4.06	-43.73
O=C(C1CC2CCC1C2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636877	0	43	-1.0	-44.74	314.09	5.87	-38.87
O=C(C1CC2CCC1C2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636877	1	43	-1.0	-44.75	314.14	5.89	-38.86
CC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636878	0	38	-1.0	-44.31	283.23	3.87	-40.44
CC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636878	1	38	-1.0	-44.32	283.30	3.89	-40.43
O=C(CC1=CC=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636879	0	38	-1.0	-55.22	308.96	4.45	-50.77
O=C(CC1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636879	1	38	-1.0	-55.23	309.03	4.45	-50.78
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004636880	0	38	-1.0	-52.04	306.31	3.96	-48.08
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004636880	1	38	-1.0	-52.07	306.37	3.97	-48.10
CN1C=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636881	0	37	-1.0	-53.91	291.36	4.62	-49.29
CN1C=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636881	1	37	-1.0	-53.97	291.42	4.62	-49.35
CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636882	0	38	-1.0	-44.07	296.56	4.78	-39.29
CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636882	1	38	-1.0	-44.06	296.62	4.78	-39.28
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C	REAL250004636883	0	39	-1.0	-53.08	311.74	3.48	-49.60
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C	REAL250004636883	1	39	-1.0	-53.11	311.80	3.48	-49.63
CCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636884	0	41	-1.0	-44.03	318.12	5.54	-38.49
CCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636884	1	41	-1.0	-44.07	318.18	5.56	-38.51
CC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636885	0	41	-1.0	-42.79	306.82	5.11	-37.68
CC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636885	1	41	-1.0	-42.80	306.88	5.12	-37.68
O=C(CCN1C=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636886	0	38	-1.0	-51.84	311.31	5.63	-46.21
O=C(CCN1C=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636886	1	38	-1.0	-51.79	311.25	5.62	-46.17
O=C(CNC(=O)C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636887	0	40	-1.0	-49.89	323.58	2.45	-47.44
O=C(CNC(=O)C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636887	1	40	-1.0	-49.86	323.64	2.46	-47.40
CCCCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636888	0	42	-1.0	-55.32	341.62	6.17	-49.15
CCCCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636888	1	42	-1.0	-55.33	341.69	6.18	-49.15
CCCCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636889	0	47	-1.0	-43.95	361.05	7.12	-36.83
CCCCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636889	1	47	-1.0	-43.94	361.12	7.13	-36.81
CCCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636890	0	44	-1.0	-44.03	339.56	6.34	-37.69
CCCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636890	1	44	-1.0	-44.01	339.62	6.35	-37.66
O=C(CCN1C=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636891	0	39	-1.0	-51.57	316.57	4.20	-47.37
O=C(CCN1C=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636891	1	39	-1.0	-51.54	316.50	4.20	-47.34
O=C(C1=CC=CNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636892	0	36	-1.0	-47.10	293.08	2.22	-44.88
O=C(C1=CC=CNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636892	1	36	-1.0	-47.13	293.15	2.23	-44.90
CC(C)SCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636893	0	39	-1.0	-55.36	316.87	5.23	-50.13
CC(C)SCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636893	1	39	-1.0	-55.35	316.93	5.23	-50.12
CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004636894	0	38	-1.0	-54.20	305.80	4.82	-49.38
CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004636894	1	38	-1.0	-54.23	305.86	4.83	-49.40
O=C(C1=CC=CC=C1O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636895	0	37	-1.0	-56.39	300.51	2.63	-53.76
O=C(C1=CC=CC=C1O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636895	1	37	-1.0	-56.36	300.58	2.63	-53.73
CCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636896	0	38	-1.0	-43.65	290.55	4.34	-39.31
CCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636896	1	38	-1.0	-43.63	290.61	4.36	-39.27
N#CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636897	0	34	-1.0	-62.04	297.98	4.34	-57.70
N#CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636897	1	34	-1.0	-62.05	298.04	4.34	-57.71
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=CC=N1	REAL250004636898	0	39	-1.0	-45.60	311.63	3.88	-41.72
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=CC=N1	REAL250004636898	1	39	-1.0	-45.57	311.57	3.87	-41.70
CCC1=NNC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636899	0	39	-1.0	-56.12	311.38	2.94	-53.18
CCC1=NNC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636899	1	39	-1.0	-56.15	311.43	2.95	-53.20
O=C(CN1C=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636900	0	35	-1.0	-64.38	289.15	5.02	-59.36
O=C(CN1C=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636900	1	35	-1.0	-64.35	289.08	5.02	-59.33
CC(C)OCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636901	0	42	-1.0	-51.04	329.87	4.02	-47.02
CC(C)OCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636901	1	42	-1.0	-51.08	329.93	4.02	-47.06
CCC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636902	0	39	-1.0	-51.02	311.50	3.37	-47.65
CCC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636902	1	39	-1.0	-50.99	311.56	3.37	-47.62
O=C(C1COCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636903	0	38	-1.0	-46.02	294.88	2.40	-43.62
O=C(C1COCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636903	1	38	-1.0	-46.00	294.94	2.41	-43.59
COC(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636904	0	35	-1.0	-61.97	286.02	4.19	-57.78
COC(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636904	1	35	-1.0	-62.01	286.07	4.20	-57.81
O=C(CCC1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636905	0	43	-1.0	-45.00	331.55	4.34	-40.66
O=C(CCC1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636905	1	43	-1.0	-44.96	331.61	4.36	-40.60
O=C(C1=NNC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636906	0	33	-1.0	-55.91	269.41	2.25	-53.66
O=C(C1=NNC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636906	1	33	-1.0	-55.92	269.47	2.26	-53.66
O=C(C1=CC=NN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636906	1	33	-1.0	-51.21	268.19	2.04	-49.17
O=C(C1=CC=NN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636906	1	33	-1.0	-51.20	268.26	2.04	-49.16
COCCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636907	0	40	-1.0	-54.57	332.30	3.67	-50.90
COCCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636907	1	40	-1.0	-54.49	332.36	3.67	-50.82
CC(=O)N(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636908	0	39	-1.0	-60.37	310.15	3.15	-57.22
CC(=O)N(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636908	1	39	-1.0	-60.36	310.21	3.16	-57.20
CCC(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636909	0	41	-1.0	-43.41	304.71	4.79	-38.62
CCC(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636909	1	41	-1.0	-43.45	304.77	4.80	-38.65
CN1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1=O	REAL250004636910	0	40	-1.0	-49.73	312.83	2.92	-46.81
CN1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1=O	REAL250004636910	1	40	-1.0	-49.75	312.89	2.93	-46.82
CC1=NNC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636911	0	36	-1.0	-56.45	290.60	2.22	-54.23
CC1=NNC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636911	1	36	-1.0	-56.49	290.67	2.23	-54.26
O=C(C1=CSN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636912	0	31	-1.0	-49.16	268.62	2.14	-47.02
O=C(C1=CSN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636912	1	31	-1.0	-49.13	268.56	2.12	-47.01
CCCCC(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636913	0	47	-1.0	-44.15	347.23	6.28	-37.87
CCCCC(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636913	1	47	-1.0	-44.17	347.30	6.30	-37.87
COC(=O)N(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636914	0	40	-1.0	-59.23	324.32	3.17	-56.06
COC(=O)N(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636914	1	40	-1.0	-59.15	324.38	3.18	-55.97
CCC(=O)NC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636915	0	42	-1.0	-44.60	330.52	2.30	-42.30
CCC(=O)NC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636915	1	42	-1.0	-44.59	330.58	2.31	-42.28
O=C(C1=CC=CC=[N+]1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636916	0	36	-1.0	-51.10	293.72	4.18	-46.92
O=C(C1=CC=CC=[N+]1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636916	1	36	-1.0	-51.08	293.78	4.18	-46.90
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC=N1	REAL250004636917	0	35	-1.0	-53.17	294.57	2.94	-50.23
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC=N1	REAL250004636917	1	35	-1.0	-53.19	294.63	2.94	-50.25
CCOCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636918	0	42	-1.0	-46.63	330.59	4.04	-42.59
CCOCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636918	1	42	-1.0	-46.63	330.65	4.04	-42.59
O=C(COCC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636919	0	40	-1.0	-57.55	320.35	5.16	-52.39
O=C(COCC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636919	1	40	-1.0	-57.57	320.42	5.16	-52.41
O=C(CC1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636920	0	40	-1.0	-47.33	309.57	4.19	-43.14
O=C(CC1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636920	1	40	-1.0	-47.31	309.62	4.20	-43.11
CC1=CNC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636921	0	37	-1.0	-40.31	296.72	3.77	-36.54
CC1=CNC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636921	1	37	-1.0	-40.34	296.79	3.77	-36.57
CSC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636922	0	36	-1.0	-45.60	291.97	4.09	-41.51
CSC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636922	1	36	-1.0	-45.61	292.04	4.10	-41.51
CCOC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636923	0	39	-1.0	-46.88	303.51	3.99	-42.89
CCOC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636923	1	39	-1.0	-46.88	303.57	4.01	-42.87
O=C(C1=CNN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636924	0	33	-1.0	-52.31	269.75	1.64	-50.67
O=C(C1=CNN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636924	1	33	-1.0	-52.28	269.69	1.63	-50.65
CCOC(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636925	0	38	-1.0	-61.89	307.91	5.10	-56.79
CCOC(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636925	1	38	-1.0	-61.92	307.97	5.11	-56.81
CC(C)(C#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636926	0	36	-1.0	-46.07	285.36	3.44	-42.63
CC(C)(C#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636926	1	36	-1.0	-46.15	285.42	3.44	-42.71
O=C(C1CCC(=O)NC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636928	0	40	-1.0	-44.51	310.59	1.60	-42.91
O=C(C1CCC(=O)NC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636928	1	40	-1.0	-44.56	310.64	1.61	-42.95
COCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636929	0	39	-1.0	-46.66	308.73	3.07	-43.59
COCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636929	1	39	-1.0	-46.67	308.80	3.07	-43.60
CC(F)(F)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636930	0	38	-1.0	-42.79	307.68	4.91	-37.88
CC(F)(F)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636930	1	38	-1.0	-42.79	307.74	4.91	-37.88
O=C(COC1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636931	0	43	-1.0	-57.58	333.34	5.65	-51.93
O=C(COC1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636931	1	43	-1.0	-57.60	333.41	5.65	-51.95
CC1=NC=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636932	0	37	-1.0	-49.60	297.46	3.75	-45.85
CC1=NC=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636932	1	37	-1.0	-49.62	297.53	3.75	-45.87
C=CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636933	0	37	-1.0	-55.44	311.44	5.16	-50.28
C=CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636933	1	37	-1.0	-55.45	311.50	5.16	-50.29
CCOC1CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636934	0	40	-1.0	-48.32	316.65	5.19	-43.13
CCOC1CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636934	1	40	-1.0	-48.34	316.71	5.20	-43.14
CC1=NC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004636935	0	37	-1.0	-50.32	301.05	3.98	-46.34
CC1=NC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004636935	1	37	-1.0	-50.31	301.11	3.99	-46.32
CCSCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636936	0	39	-1.0	-50.58	320.27	5.36	-45.22
CCSCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636936	1	39	-1.0	-50.58	320.33	5.36	-45.22
COC(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636937	0	37	-1.0	-50.59	303.57	0.28	-50.31
COC(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636937	1	37	-1.0	-50.57	303.63	0.29	-50.28
O=C(C1=NSN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636938	0	31	-1.0	-48.33	267.57	1.79	-46.54
O=C(C1=NSN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636938	1	31	-1.0	-48.35	267.51	1.79	-46.56
O=C(C1=CN=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636939	0	31	-1.0	-49.45	269.07	1.83	-47.62
O=C(C1=CN=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636939	1	31	-1.0	-49.38	269.00	1.82	-47.56
CCCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636940	0	39	-1.0	-55.32	320.13	5.39	-49.93
CCCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636940	1	39	-1.0	-55.30	320.19	5.40	-49.90
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004636941	0	40	-1.0	-52.43	310.77	5.95	-46.48
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004636941	1	40	-1.0	-52.42	310.83	5.96	-46.46
O=C(C1=NOC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636942	0	32	-1.0	-52.62	265.37	3.07	-49.55
O=C(C1=NOC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636942	1	32	-1.0	-52.58	265.31	3.06	-49.52
O=C(C1=CN=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636943	0	32	-1.0	-54.37	273.58	2.29	-52.08
O=C(C1=CN=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636943	1	32	-1.0	-54.33	273.52	2.29	-52.04
CC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636944	0	36	-1.0	-51.23	290.06	2.63	-48.60
CC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636944	1	36	-1.0	-51.22	290.13	2.63	-48.59
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NN1	REAL250004636944	1	36	-1.0	-54.70	291.10	2.79	-51.91
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NN1	REAL250004636944	1	36	-1.0	-54.73	291.18	2.79	-51.94
CC1=CN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004636945	0	39	-1.0	-62.89	316.22	4.26	-58.63
CC1=CN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004636945	1	39	-1.0	-62.87	316.15	4.25	-58.62
O=C(C=C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636946	0	40	-1.0	-54.30	308.47	5.81	-48.49
O=C(C=C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636946	1	40	-1.0	-54.31	308.53	5.81	-48.50
COC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636947	0	36	-1.0	-44.23	282.42	3.08	-41.15
COC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636947	1	36	-1.0	-44.27	282.48	3.09	-41.18
CC1=NN(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636948	0	39	-1.0	-52.00	310.28	3.53	-48.47
CC1=NN(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636948	1	39	-1.0	-52.04	310.34	3.53	-48.51
CCC=C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636949	0	39	-1.0	-53.25	307.85	5.10	-48.15
CCC=C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636949	1	39	-1.0	-53.26	307.92	5.11	-48.15
CC(C)COC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636950	0	45	-1.0	-46.72	345.11	5.48	-41.24
CC(C)COC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636950	1	45	-1.0	-46.72	345.18	5.49	-41.23
CCCC(C)=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636951	0	42	-1.0	-51.91	325.50	6.04	-45.87
CCCC(C)=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636951	1	42	-1.0	-51.95	325.56	6.05	-45.90
CC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL250004636952	0	35	-1.0	-53.75	296.39	3.08	-50.67
CC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL250004636952	1	35	-1.0	-53.73	296.46	3.08	-50.65
CCOC(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636953	0	42	-1.0	-47.07	320.17	4.65	-42.42
CCOC(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636953	1	42	-1.0	-47.09	320.23	4.66	-42.43
O=C(C1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636954	0	37	-1.0	-43.91	284.86	2.42	-41.49
O=C(C1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636954	1	37	-1.0	-43.87	284.92	2.44	-41.43
O=C(C=C1CCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636955	0	43	-1.0	-52.72	323.53	6.29	-46.43
O=C(C=C1CCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636955	1	43	-1.0	-52.72	323.60	6.29	-46.43
CS(=O)(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636956	0	35	-1.0	-73.05	295.60	0.27	-72.78
CS(=O)(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636956	1	35	-1.0	-73.08	295.66	0.28	-72.80
CC(OCC1CC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636957	0	43	-1.0	-43.66	336.08	5.62	-38.04
CC(OCC1CC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636957	1	43	-1.0	-43.67	336.14	5.62	-38.05
COC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636958	0	36	-1.0	-44.23	282.42	3.08	-41.15
COC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636958	1	36	-1.0	-44.27	282.48	3.09	-41.18
CC(C)OCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636959	0	39	-1.0	-57.07	308.92	4.32	-52.75
CC(C)OCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636959	1	39	-1.0	-57.03	308.98	4.32	-52.71
CC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004636960	0	42	-1.0	-43.33	321.45	6.04	-37.29
CC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004636960	1	42	-1.0	-43.36	321.52	6.06	-37.30
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=CO1	REAL250004636961	0	35	-1.0	-51.93	283.71	1.88	-50.05
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=CO1	REAL250004636961	1	35	-1.0	-51.91	283.65	1.87	-50.04
C=CCCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636962	0	40	-1.0	-56.77	322.98	4.94	-51.83
C=CCCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636962	1	40	-1.0	-56.78	323.05	4.95	-51.83
O=C(C1=CC=NC(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636964	0	35	-1.0	-53.97	291.27	3.39	-50.58
O=C(C1=CC=NC(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636964	1	35	-1.0	-53.98	291.20	3.39	-50.59
CN1N=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636965	0	36	-1.0	-52.04	286.28	2.96	-49.08
CN1N=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636965	1	36	-1.0	-52.05	286.21	2.95	-49.10
COCCOCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636966	0	43	-1.0	-52.81	343.22	2.53	-50.28
COCCOCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636966	1	43	-1.0	-52.82	343.28	2.54	-50.28
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004636967	0	39	-1.0	-45.86	308.65	5.06	-40.80
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004636967	1	39	-1.0	-45.87	308.72	5.07	-40.80
O=C(CC(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636969	0	32	-1.0	-55.07	271.49	3.66	-51.41
O=C(CC(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636969	1	32	-1.0	-55.08	271.55	3.66	-51.42
O=C(C1CNC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636970	0	37	-1.0	-45.84	290.62	0.62	-45.22
O=C(C1CNC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636970	1	37	-1.0	-45.89	290.69	0.64	-45.25
CCCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636971	0	39	-1.0	-56.90	310.17	4.38	-52.52
CCCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636971	1	39	-1.0	-56.95	310.24	4.38	-52.57
CCCCOC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636972	0	45	-1.0	-46.75	346.51	5.57	-41.18
CCCCOC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636972	1	45	-1.0	-46.74	346.57	5.58	-41.16
CC(C)CCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636973	0	45	-1.0	-56.83	349.24	5.67	-51.16
CC(C)CCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636973	1	45	-1.0	-56.87	349.30	5.67	-51.20
COCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636974	0	42	-1.0	-44.59	330.23	3.85	-40.74
COCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636974	1	42	-1.0	-44.63	330.30	3.86	-40.77
NC(=O)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636975	0	39	-1.0	-55.44	312.74	0.85	-54.59
NC(=O)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636975	1	39	-1.0	-55.40	312.81	0.85	-54.55
C=CCCOC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636976	0	43	-1.0	-46.60	337.82	5.35	-41.25
C=CCCOC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636976	1	43	-1.0	-46.60	337.88	5.36	-41.24
CCC(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636978	0	39	-1.0	-46.33	300.29	3.81	-42.52
CCC(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636978	1	39	-1.0	-46.34	300.35	3.82	-42.52
O=C(CCN1C=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636979	0	39	-1.0	-51.33	315.97	5.79	-45.54
O=C(CCN1C=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636979	1	39	-1.0	-51.30	316.02	5.80	-45.50
CN1C=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004636980	0	39	-1.0	-58.29	316.96	4.01	-54.28
CN1C=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004636980	1	39	-1.0	-58.31	316.90	4.01	-54.30
CCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636981	0	41	-1.0	-44.39	297.90	4.40	-39.99
CCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636981	1	41	-1.0	-44.44	297.95	4.41	-40.03
O=C(C1CCCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636982	0	45	-1.0	-42.98	319.03	5.82	-37.16
O=C(C1CCCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636982	1	45	-1.0	-42.98	319.09	5.83	-37.15
COC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636983	0	39	-1.0	-44.81	306.37	3.81	-41.00
COC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636983	1	39	-1.0	-44.86	306.44	3.82	-41.04
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL250004636984	0	43	-1.0	-43.64	308.67	3.17	-40.47
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL250004636984	1	43	-1.0	-43.66	308.74	3.18	-40.48
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004636985	0	42	-1.0	-40.98	307.01	5.16	-35.82
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004636985	1	42	-1.0	-40.97	307.07	5.17	-35.80
CC(=O)NC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636986	0	42	-1.0	-42.40	316.40	2.72	-39.68
CC(=O)NC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636986	1	42	-1.0	-42.41	316.46	2.74	-39.67
CCCC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636987	0	44	-1.0	-43.54	331.58	6.01	-37.53
CCCC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636987	1	44	-1.0	-43.59	331.64	6.02	-37.57
CC1=CC=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004636988	0	42	-1.0	-54.14	335.49	6.88	-47.26
CC1=CC=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004636988	1	42	-1.0	-54.14	335.55	6.89	-47.25
CCOCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636989	0	39	-1.0	-50.98	309.60	3.27	-47.71
CCOCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636989	1	39	-1.0	-50.98	309.66	3.28	-47.70
CC(C)CC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636990	0	47	-1.0	-43.49	348.72	6.52	-36.97
CC(C)CC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636990	1	47	-1.0	-43.47	348.79	6.53	-36.94
CNC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004636991	0	40	-1.0	-44.35	322.22	1.80	-42.55
CNC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004636991	1	40	-1.0	-44.34	322.28	1.82	-42.52
COCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636992	0	36	-1.0	-51.01	287.74	2.31	-48.70
COCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636992	1	36	-1.0	-51.03	287.80	2.31	-48.72
O=C(C1CCCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636993	0	40	-1.0	-42.80	305.40	3.26	-39.54
O=C(C1CCCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636993	1	40	-1.0	-42.78	305.46	3.28	-39.50
NC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004636994	0	37	-1.0	-41.98	300.24	0.35	-41.63
NC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004636994	1	37	-1.0	-41.98	300.30	0.36	-41.62
O=C(C1=CSC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636995	0	32	-1.0	-54.23	273.93	3.05	-51.18
O=C(C1=CSC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636995	1	32	-1.0	-54.17	273.87	3.05	-51.12
CCNC(=O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636996	0	42	-1.0	-50.90	335.17	2.39	-48.51
CCNC(=O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636996	1	42	-1.0	-50.91	335.23	2.40	-48.51
NC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004636997	0	40	-1.0	-41.81	310.56	0.68	-41.13
NC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004636997	1	40	-1.0	-41.85	310.63	0.69	-41.16
O=C(C1=COCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636998	0	35	-1.0	-54.90	274.90	2.76	-52.14
O=C(C1=COCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636998	1	35	-1.0	-54.89	274.97	2.76	-52.13
CCC(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636999	0	39	-1.0	-49.65	313.04	1.68	-47.97
CCC(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636999	1	39	-1.0	-49.68	313.10	1.69	-47.99
O=C(C1=CNC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637000	0	34	-1.0	-56.97	273.61	3.11	-53.86
O=C(C1=CNC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637000	1	34	-1.0	-56.95	273.67	3.11	-53.84
CN(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637001	0	37	-1.0	-53.29	287.57	1.52	-51.77
CN(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637001	1	37	-1.0	-53.30	287.63	1.52	-51.78
CN1C=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637002	0	36	-1.0	-56.86	291.95	3.57	-53.29
CN1C=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637002	1	36	-1.0	-56.85	291.88	3.57	-53.28
COCCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637003	0	40	-1.0	-60.51	322.30	2.82	-57.69
COCCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637003	1	40	-1.0	-60.52	322.36	2.83	-57.69
CCCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637004	0	41	-1.0	-43.69	312.05	5.11	-38.58
CCCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637004	1	41	-1.0	-43.71	312.11	5.12	-38.59
NC(=O)CSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637005	0	37	-1.0	-66.82	314.61	0.68	-66.14
NC(=O)CSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637005	1	37	-1.0	-66.78	314.67	0.68	-66.10
CC1=NON=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637006	0	34	-1.0	-44.18	279.65	3.04	-41.14
CC1=NON=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637006	1	34	-1.0	-44.18	279.71	3.05	-41.13
O=C(C1=CNC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637008	0	33	-1.0	-56.11	269.09	3.59	-52.52
O=C(C1=CNC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637008	1	33	-1.0	-56.11	269.16	3.60	-52.51
O=C(C1=COC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637010	0	32	-1.0	-52.65	265.40	1.05	-51.60
O=C(C1=COC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637010	1	32	-1.0	-52.58	265.34	1.05	-51.53
C#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004637011	0	37	-1.0	-52.35	311.57	5.42	-46.93
C#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004637011	1	37	-1.0	-52.38	311.64	5.42	-46.96
O=C(CC1CCC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637012	0	40	-1.0	-49.82	315.05	1.93	-47.89
O=C(CC1CCC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637012	1	40	-1.0	-49.82	315.11	1.94	-47.88
O=C([C@H]1CCC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637013	0	37	-1.0	-50.05	293.94	0.99	-49.06
O=C([C@H]1CCC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637013	1	37	-1.0	-50.06	294.00	1.00	-49.06
COC(=O)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637015	0	40	-1.0	-60.30	325.70	0.96	-59.34
COC(=O)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637015	1	40	-1.0	-60.32	325.76	0.95	-59.37
O=C(C1=CC=C(F)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637016	0	35	-1.0	-53.03	291.36	3.40	-49.63
O=C(C1=CC=C(F)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637016	1	35	-1.0	-52.99	291.30	3.39	-49.60
C#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004637018	0	37	-1.0	-52.62	312.14	4.43	-48.19
C#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004637018	1	37	-1.0	-52.62	312.20	4.42	-48.20
O=C(CC1=CCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637019	0	43	-1.0	-53.14	330.00	6.44	-46.70
O=C(CC1=CCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637019	1	43	-1.0	-53.16	330.06	6.45	-46.71
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN1	REAL250004637020	0	36	-1.0	-55.02	291.20	3.40	-51.62
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN1	REAL250004637020	1	36	-1.0	-55.03	291.26	3.41	-51.62
CCC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637021	0	47	-1.0	-43.45	340.27	6.19	-37.26
CCC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637021	1	47	-1.0	-43.43	340.33	6.21	-37.22
COCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637022	0	39	-1.0	-42.62	305.13	2.80	-39.82
COCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637022	1	39	-1.0	-42.63	305.19	2.82	-39.81
CC(C)(C)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637023	0	47	-1.0	-43.89	351.85	6.45	-37.44
CC(C)(C)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637023	1	47	-1.0	-43.90	351.91	6.47	-37.43
C=CCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637024	0	37	-1.0	-57.33	301.58	4.15	-53.18
C=CCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637024	1	37	-1.0	-57.34	301.64	4.16	-53.18
CC1=NN(C)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637025	0	39	-1.0	-57.19	313.56	3.58	-53.61
CC1=NN(C)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637025	1	39	-1.0	-57.26	313.63	3.59	-53.67
CCN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004637026	0	39	-1.0	-57.94	314.33	3.84	-54.10
CCN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004637026	1	39	-1.0	-57.91	314.26	3.84	-54.07
CCCCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637027	0	42	-1.0	-56.96	331.67	5.16	-51.80
CCCCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637027	1	42	-1.0	-57.00	331.73	5.16	-51.84
CC(C)(C)C(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637028	0	40	-1.0	-47.56	314.80	4.23	-43.33
CC(C)(C)C(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637028	1	40	-1.0	-47.59	314.87	4.25	-43.34
CN1CCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637029	1	44	-1.0	-44.11	325.24	3.16	-40.95
CN1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637029	1	44	-1.0	-44.11	325.30	3.18	-40.93
O=C(CC1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637030	0	43	-1.0	-43.92	324.51	4.09	-39.83
O=C(CC1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637030	1	43	-1.0	-43.96	324.57	4.11	-39.85
CC1=NC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637031	0	38	-1.0	-54.16	302.47	4.02	-50.14
CC1=NC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637031	1	38	-1.0	-54.16	302.53	4.02	-50.14
CSCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637032	0	39	-1.0	-42.21	315.05	4.86	-37.35
CSCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637032	1	39	-1.0	-42.23	315.11	4.87	-37.36
CC1=CC=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637033	0	38	-1.0	-52.01	303.47	4.02	-47.99
CC1=CC=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637033	1	38	-1.0	-52.00	303.53	4.02	-47.98
CC1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637034	0	45	-1.0	-43.46	335.23	6.23	-37.23
CC1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637034	1	45	-1.0	-43.47	335.29	6.24	-37.23
O=C(CCC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637035	0	39	-1.0	-43.91	306.64	5.55	-38.36
O=C(CCC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637035	1	39	-1.0	-43.93	306.70	5.56	-38.37
CC(C)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637036	0	41	-1.0	-43.55	308.39	4.88	-38.67
CC(C)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637036	1	41	-1.0	-43.56	308.45	4.89	-38.67
O=C(C1CCSCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637037	0	40	-1.0	-44.33	315.52	5.34	-38.99
O=C(C1CCSCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637037	1	40	-1.0	-44.34	315.58	5.36	-38.98
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)(C)C	REAL250004637038	0	44	-1.0	-44.02	313.57	5.14	-38.88
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)(C)C	REAL250004637038	1	44	-1.0	-43.99	313.63	5.15	-38.84
N#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004637039	0	36	-1.0	-51.01	305.23	4.63	-46.38
N#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004637039	1	36	-1.0	-50.98	305.17	4.63	-46.35
COC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637040	0	39	-1.0	-44.64	293.78	2.79	-41.85
COC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637040	1	39	-1.0	-44.67	293.85	2.80	-41.87
O=C(CC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637041	0	38	-1.0	-55.43	308.97	4.44	-50.99
O=C(CC1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637041	1	38	-1.0	-55.46	308.91	4.43	-51.03
CN1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637042	1	41	-1.0	-43.96	305.23	1.98	-41.98
CC1=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004637043	0	38	-1.0	-62.57	310.27	4.41	-58.16
CC1=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004637043	1	38	-1.0	-62.58	310.34	4.41	-58.17
O=C(C1CC2CCC1O2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637044	0	41	-1.0	-48.76	307.06	3.46	-45.30
O=C(C1CC2CCC1O2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637044	1	41	-1.0	-48.75	307.14	3.47	-45.28
NC1=NC=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637045	0	36	-1.0	-43.10	297.35	0.43	-42.67
NC1=NC=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637045	1	36	-1.0	-43.08	297.28	0.42	-42.66
O=C(NC1CC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637046	0	37	-1.0	-45.73	300.42	1.63	-44.10
O=C(NC1CC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637046	1	37	-1.0	-45.74	300.48	1.64	-44.10
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=NN1C	REAL250004637047	0	38	-1.0	-50.65	303.11	2.57	-48.08
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=NN1C	REAL250004637047	1	38	-1.0	-50.71	303.17	2.58	-48.13
CC(C)(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637048	0	44	-1.0	-43.73	330.29	5.71	-38.02
CC(C)(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637048	1	44	-1.0	-43.77	330.36	5.71	-38.06
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637049	0	37	-1.0	-38.50	295.54	4.25	-34.25
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637049	1	37	-1.0	-38.51	295.60	4.25	-34.26
O=C(CC1(O)CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637050	0	43	-1.0	-43.47	322.87	3.56	-39.91
O=C(CC1(O)CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637050	1	43	-1.0	-43.45	322.92	3.57	-39.88
O=C(C1CC=CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637051	0	37	-1.0	-43.62	285.66	4.82	-38.80
O=C(C1CC=CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637051	1	37	-1.0	-43.68	285.73	4.84	-38.84
O=C(C1CC2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637052	0	40	-1.0	-44.65	316.12	6.61	-38.04
O=C(C1CC2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637052	1	40	-1.0	-44.67	316.19	6.62	-38.05
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=CO1	REAL250004637053	0	38	-1.0	-52.06	304.92	2.65	-49.41
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=CO1	REAL250004637053	1	38	-1.0	-52.07	304.86	2.65	-49.42
CSCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637054	0	42	-1.0	-44.36	341.29	6.02	-38.34
CSCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637054	1	42	-1.0	-44.36	341.36	6.02	-38.34
O=C(CC1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637055	0	40	-1.0	-45.84	307.96	3.28	-42.56
O=C(CC1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637055	1	40	-1.0	-45.83	308.02	3.29	-42.54
O=C(CC1=NNC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637056	0	36	-1.0	-61.21	293.16	2.64	-58.57
O=C(CC1=NNC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637056	1	36	-1.0	-61.23	293.23	2.65	-58.58
O=C(C1=CCCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637057	0	38	-1.0	-52.69	297.79	4.06	-48.63
O=C(C1=CCCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637057	1	38	-1.0	-52.68	297.86	4.06	-48.62
CC1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637058	0	45	-1.0	-43.94	335.62	6.25	-37.69
CC1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637058	1	45	-1.0	-43.93	335.68	6.26	-37.67
O=C(C1=CC=NC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637060	0	35	-1.0	-57.07	291.32	3.54	-53.53
O=C(C1=CC=NC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637060	1	35	-1.0	-57.05	291.26	3.53	-53.52
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004637061	0	39	-1.0	-47.15	313.21	4.84	-42.31
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004637061	1	39	-1.0	-47.18	313.27	4.85	-42.33
O=C(CC1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637062	0	39	-1.0	-44.25	301.34	5.28	-38.97
O=C(CC1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637062	1	39	-1.0	-44.23	301.40	5.29	-38.94
CCC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637063	0	44	-1.0	-42.61	320.98	5.61	-37.00
CCC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637063	1	44	-1.0	-42.64	321.05	5.61	-37.03
O=C(C1CCCS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637064	0	37	-1.0	-45.71	296.98	4.82	-40.89
O=C(C1CCCS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637064	1	37	-1.0	-45.71	297.04	4.82	-40.89
CN1CCOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637065	0	42	-1.0	-46.19	319.14	1.72	-44.47
CN1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637065	1	42	-1.0	-46.20	319.20	1.72	-44.48
CC1=NC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637066	0	38	-1.0	-51.29	305.50	1.54	-49.75
CC1=NC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637066	1	38	-1.0	-51.30	305.57	1.54	-49.76
CN(C)C(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637067	0	39	-1.0	-68.14	307.93	4.19	-63.95
CN(C)C(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637067	1	39	-1.0	-68.15	307.99	4.20	-63.95
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)F	REAL250004637068	0	35	-1.0	-43.44	288.51	4.09	-39.35
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)F	REAL250004637068	1	35	-1.0	-43.49	288.57	4.10	-39.39
O=C(C1=CC=CC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637069	0	36	-1.0	-49.88	294.40	2.73	-47.15
O=C(C1=CC=CC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637069	1	36	-1.0	-49.86	294.46	2.74	-47.12
O=C(CCC1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637070	0	42	-1.0	-44.00	323.35	6.06	-37.94
O=C(CCC1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637070	1	42	-1.0	-44.04	323.42	6.08	-37.96
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCC1	REAL250004637071	0	45	-1.0	-44.62	334.19	6.19	-38.43
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCC1	REAL250004637071	1	45	-1.0	-44.63	334.25	6.21	-38.42
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637072	0	39	-1.0	-44.55	302.72	4.96	-39.59
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637072	1	39	-1.0	-44.56	302.78	4.97	-39.59
CC1=CSC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637073	0	36	-1.0	-54.20	299.88	4.86	-49.34
CC1=CSC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637073	1	36	-1.0	-54.21	299.94	4.87	-49.34
CC1=CC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637074	0	39	-1.0	-52.27	310.60	4.94	-47.33
CC1=CC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637074	1	39	-1.0	-52.30	310.66	4.95	-47.35
O=C(CCN1C=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637075	0	40	-1.0	-49.95	321.28	6.08	-43.87
O=C(CCN1C=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637075	1	40	-1.0	-49.94	321.34	6.09	-43.85
C=CCOCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637076	0	43	-1.0	-46.90	343.49	4.61	-42.29
C=CCOCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637076	1	43	-1.0	-46.94	343.56	4.62	-42.32
CC1=CN=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637077	0	38	-1.0	-42.24	305.38	3.97	-38.27
CC1=CN=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637077	1	38	-1.0	-42.24	305.31	3.97	-38.27
O=C(CCC(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637078	0	35	-1.0	-49.45	293.73	4.38	-45.07
O=C(CCC(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637078	1	35	-1.0	-49.49	293.79	4.38	-45.11
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC=N1	REAL250004637079	0	35	-1.0	-52.02	283.85	0.89	-51.13
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC=N1	REAL250004637079	1	35	-1.0	-52.05	283.92	0.90	-51.15
CN1CCCC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637080	1	44	-1.0	-44.05	325.26	3.17	-40.88
CN1CCCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637080	1	44	-1.0	-44.06	325.32	3.18	-40.88
O=C(C1C2CCCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637081	0	40	-1.0	-44.16	299.01	5.75	-38.41
O=C(C1C2CCCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637081	1	40	-1.0	-44.14	299.07	5.75	-38.39
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637082	0	39	-1.0	-41.80	302.21	5.20	-36.60
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637082	1	39	-1.0	-41.85	302.26	5.22	-36.63
N#CC1=CNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637083	0	35	-1.0	-59.19	294.56	3.95	-55.24
N#CC1=CNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637083	1	35	-1.0	-59.17	294.63	3.96	-55.21
O=C(C#CC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637084	0	38	-1.0	-54.12	321.92	6.90	-47.22
O=C(C#CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637084	1	38	-1.0	-54.12	321.98	6.90	-47.22
O=C(CCC1=COC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637085	0	39	-1.0	-53.09	316.25	4.97	-48.12
O=C(CCC1=COC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637085	1	39	-1.0	-53.12	316.31	4.98	-48.14
CC(C)CC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637086	0	47	-1.0	-44.10	330.50	5.58	-38.52
CC(C)CC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637086	1	47	-1.0	-44.11	330.56	5.59	-38.52
CC1=CC=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637087	0	38	-1.0	-55.98	308.68	3.99	-51.99
CC1=CC=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637087	1	38	-1.0	-55.96	308.62	3.99	-51.97
CC(C)=C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637088	0	39	-1.0	-54.68	305.73	4.84	-49.84
CC(C)=C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637088	1	39	-1.0	-54.72	305.80	4.85	-49.87
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637089	0	42	-1.0	-44.81	310.15	5.17	-39.64
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637089	1	42	-1.0	-44.84	310.21	5.17	-39.67
CC1(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL250004637090	0	45	-1.0	-43.13	334.32	6.10	-37.03
CC1(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL250004637090	1	45	-1.0	-43.15	334.39	6.12	-37.03
O=C(CCC1=NN=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637091	0	38	-1.0	-55.78	309.51	4.42	-51.36
O=C(CCC1=NN=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637091	1	38	-1.0	-55.79	309.57	4.43	-51.36
CSC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637092	0	34	-1.0	-52.16	288.62	4.13	-48.03
CSC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637092	1	34	-1.0	-52.17	288.68	4.13	-48.04
O=C(CCC1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637093	0	43	-1.0	-46.45	328.98	4.00	-42.45
O=C(CCC1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637093	1	43	-1.0	-46.48	329.04	4.01	-42.47
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)C(F)F	REAL250004637094	0	32	-1.0	-42.66	275.27	3.56	-39.10
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)C(F)F	REAL250004637094	1	32	-1.0	-42.66	275.34	3.57	-39.09
O=C(CN1C=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637095	0	35	-1.0	-67.84	288.21	2.30	-65.54
O=C(CN1C=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637095	1	35	-1.0	-67.85	288.15	2.29	-65.56
O=CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637096	0	36	-1.0	-57.07	297.86	3.11	-53.96
O=CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637096	1	36	-1.0	-57.10	297.93	3.11	-53.99
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CN1	REAL250004637097	0	37	-1.0	-56.22	296.92	3.75	-52.47
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CN1	REAL250004637097	1	37	-1.0	-56.22	296.98	3.76	-52.46
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637098	0	39	-1.0	-44.72	292.77	4.61	-40.11
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637098	1	39	-1.0	-44.75	292.83	4.63	-40.12
C=CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637099	0	39	-1.0	-44.36	309.37	5.34	-39.02
C=CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637099	1	39	-1.0	-44.40	309.44	5.35	-39.05
O=C(COC1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637100	0	41	-1.0	-57.32	324.08	3.03	-54.29
O=C(COC1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637100	1	41	-1.0	-57.31	324.14	3.03	-54.28
O=C(C1CC12CCCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637101	0	43	-1.0	-43.91	326.03	6.46	-37.45
O=C(C1CC12CCCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637101	1	43	-1.0	-43.91	326.09	6.47	-37.44
O=C(C1CC(F)(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637102	0	36	-1.0	-43.42	293.08	4.64	-38.78
O=C(C1CC(F)(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637102	1	36	-1.0	-43.44	293.15	4.65	-38.79
O=C(C1=CC(=O)NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637103	0	36	-1.0	-60.32	299.29	2.31	-58.01
O=C(C1=CC(=O)NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637103	1	36	-1.0	-60.34	299.36	2.31	-58.03
CCCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637104	0	42	-1.0	-45.02	323.45	5.72	-39.30
CCCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637104	1	42	-1.0	-45.04	323.52	5.73	-39.31
CCC(CC)(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637105	0	47	-1.0	-44.37	328.83	5.33	-39.04
CCC(CC)(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637105	1	47	-1.0	-44.35	328.89	5.35	-39.00
O=C(C1=CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637106	0	37	-1.0	-37.48	283.63	4.80	-32.68
O=C(C1=CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637106	1	37	-1.0	-37.45	283.65	4.80	-32.65
CC1=NNC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637107	0	39	-1.0	-57.22	315.91	3.10	-54.12
CC1=NNC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637107	1	39	-1.0	-57.24	315.98	3.11	-54.13
CN1C=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637108	0	37	-1.0	-57.46	296.13	4.84	-52.62
CN1C=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637108	1	37	-1.0	-57.46	296.20	4.84	-52.62
O=C(C=C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637109	0	37	-1.0	-54.06	292.07	5.19	-48.87
O=C(C=C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637109	1	37	-1.0	-54.09	292.13	5.20	-48.89
COCC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637110	0	42	-1.0	-45.84	324.79	3.70	-42.14
COCC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637110	1	42	-1.0	-45.86	324.85	3.72	-42.14
O=C(CC1CCCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637111	0	43	-1.0	-45.94	327.69	5.12	-40.82
O=C(CC1CCCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637111	1	43	-1.0	-45.97	327.75	5.14	-40.83
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCO1	REAL250004637112	0	40	-1.0	-40.13	302.17	3.53	-36.60
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCO1	REAL250004637112	1	40	-1.0	-40.14	302.23	3.54	-36.60
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)COC1	REAL250004637113	0	40	-1.0	-47.76	303.51	2.53	-45.23
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)COC1	REAL250004637113	1	40	-1.0	-47.81	303.57	2.55	-45.26
O=C(CC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637115	0	38	-1.0	-55.43	308.97	4.44	-50.99
O=C(CC1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637115	1	38	-1.0	-55.46	308.91	4.43	-51.03
CC1=CC=CC(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637116	0	42	-1.0	-54.34	332.64	6.44	-47.90
CC1=CC=CC(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637116	1	42	-1.0	-54.38	332.70	6.45	-47.93
O=C(C1CCNC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637117	0	40	-1.0	-46.47	311.79	1.68	-44.79
O=C(C1CCNC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637117	1	40	-1.0	-46.46	311.85	1.70	-44.76
COC(=O)C(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637118	0	41	-1.0	-43.19	325.50	4.62	-38.57
COC(=O)C(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637118	1	41	-1.0	-43.24	325.56	4.63	-38.61
O=C(C(F)=C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637119	0	40	-1.0	-48.54	312.11	5.79	-42.75
O=C(C(F)=C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637119	1	40	-1.0	-48.56	312.18	5.80	-42.76
CCC1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637120	0	42	-1.0	-54.40	327.91	6.51	-47.89
CCC1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637120	1	42	-1.0	-54.43	327.98	6.51	-47.92
CCC1(C)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637121	0	42	-1.0	-43.48	317.18	5.82	-37.66
CCC1(C)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637121	1	42	-1.0	-43.49	317.24	5.82	-37.67
CCCC(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637122	0	42	-1.0	-40.64	316.92	2.10	-38.54
CCCC(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637122	1	42	-1.0	-40.65	316.98	2.12	-38.53
O=C(C1CC12CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637123	0	40	-1.0	-44.10	310.64	5.90	-38.20
O=C(C1CC12CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637123	1	40	-1.0	-44.09	310.69	5.90	-38.19
O=C(C1=CN=CC(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637124	0	35	-1.0	-39.45	290.22	3.37	-36.08
O=C(C1=CN=CC(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637124	1	35	-1.0	-39.42	290.16	3.37	-36.05
CCCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637125	0	45	-1.0	-44.69	331.64	5.94	-38.75
CCCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637125	1	45	-1.0	-44.74	331.70	5.94	-38.80
CCC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC	REAL250004637126	0	42	-1.0	-51.70	322.07	6.00	-45.70
CCC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC	REAL250004637126	1	42	-1.0	-51.66	322.13	6.01	-45.65
CC1CC(C#N)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637128	0	40	-1.0	-38.46	314.43	4.84	-33.62
CC1CC(C#N)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637128	1	40	-1.0	-38.48	314.49	4.84	-33.64
CC1CCC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637129	0	45	-1.0	-43.81	337.40	6.47	-37.34
CC1CCC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637129	1	45	-1.0	-43.80	337.46	6.48	-37.32
CCC(CC)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637130	0	44	-1.0	-43.59	324.15	5.78	-37.81
CCC(CC)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637130	1	44	-1.0	-43.61	324.21	5.78	-37.83
CC=C(C=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC	REAL250004637131	0	43	-1.0	-54.03	336.98	6.42	-47.61
CC=C(C=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC	REAL250004637131	1	43	-1.0	-54.06	337.04	6.43	-47.63
CC1CCC(=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637132	0	43	-1.0	-53.86	329.21	6.42	-47.44
CC1CCC(=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637132	1	43	-1.0	-53.87	329.28	6.43	-47.44
CC(C)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637133	0	42	-1.0	-43.86	314.52	5.35	-38.51
CC(C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637133	1	42	-1.0	-43.88	314.58	5.36	-38.52
O=C(C1CCSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637134	0	37	-1.0	-43.05	296.99	4.71	-38.34
O=C(C1CCSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637134	1	37	-1.0	-43.05	297.05	4.72	-38.33
CC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637135	0	39	-1.0	-43.64	299.55	5.05	-38.59
CC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637135	1	39	-1.0	-43.61	299.61	5.07	-38.54
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)=C1CCCC1	REAL250004637136	0	43	-1.0	-56.02	322.38	6.14	-49.88
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)=C1CCCC1	REAL250004637136	1	43	-1.0	-56.03	322.44	6.14	-49.89
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCCCC1	REAL250004637137	0	43	-1.0	-42.66	313.42	2.70	-39.96
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCCCC1	REAL250004637137	1	43	-1.0	-42.68	313.48	2.71	-39.97
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCCC1	REAL250004637138	0	40	-1.0	-42.82	302.82	1.95	-40.87
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCCC1	REAL250004637138	1	40	-1.0	-42.79	302.88	1.97	-40.82
COCC(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637139	0	40	-1.0	-41.19	310.91	0.04	-41.15
COCC(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637139	1	40	-1.0	-41.16	310.97	0.06	-41.10
CN1C=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637140	0	36	-1.0	-56.52	292.13	5.31	-51.21
CN1C=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637140	1	36	-1.0	-56.52	292.06	5.31	-51.21
COC(=O)CC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637141	0	41	-1.0	-43.36	323.41	4.34	-39.02
COC(=O)CC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637141	1	41	-1.0	-43.36	323.47	4.36	-39.00
CC1=C(C)OC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637142	0	39	-1.0	-52.99	313.62	4.93	-48.06
CC1=C(C)OC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637142	1	39	-1.0	-53.00	313.68	4.94	-48.06
C=CCC(CC=C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637143	0	43	-1.0	-43.42	337.90	6.19	-37.23
C=CCC(CC=C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637143	1	43	-1.0	-43.42	337.96	6.20	-37.22
CC1=CC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637144	0	40	-1.0	-55.55	316.35	4.68	-50.87
CC1=CC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637144	1	40	-1.0	-55.59	316.41	4.68	-50.91
CCC1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637145	0	43	-1.0	-47.41	328.19	5.19	-42.22
CCC1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637145	1	43	-1.0	-47.38	328.25	5.20	-42.18
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004637146	0	45	-1.0	-44.95	323.77	5.62	-39.33
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004637146	1	45	-1.0	-44.96	323.83	5.63	-39.33
O=C(C(C1CC1)C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637147	0	43	-1.0	-40.39	332.66	6.60	-33.79
O=C(C(C1CC1)C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637147	1	43	-1.0	-40.39	332.72	6.62	-33.77
CSCCC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637148	0	40	-1.0	-42.34	326.04	2.90	-39.44
CSCCC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637148	1	40	-1.0	-42.35	326.10	2.92	-39.43
CC(C)(C)C(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637149	0	42	-1.0	-44.08	308.58	3.13	-40.95
CC(C)(C)C(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637149	1	42	-1.0	-44.04	308.64	3.15	-40.89
CC1(C)C[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637150	0	39	-1.0	-43.42	299.94	5.16	-38.26
CC1(C)C[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637150	1	39	-1.0	-43.44	300.00	5.18	-38.26
CNC(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637151	0	38	-1.0	-51.10	307.60	-0.48	-51.58
CNC(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637151	1	38	-1.0	-51.08	307.66	-0.48	-51.56
O=C(C1CCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637152	0	34	-1.0	-48.78	269.64	2.73	-46.05
O=C(C1CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637152	1	34	-1.0	-48.80	269.70	2.74	-46.06
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004637153	0	38	-1.0	-53.88	305.75	4.89	-48.99
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004637153	1	38	-1.0	-53.87	305.69	4.89	-48.98
CC1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637154	0	39	-1.0	-57.29	316.74	5.16	-52.13
CC1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637154	1	39	-1.0	-57.33	316.81	5.16	-52.17
CCCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637155	0	47	-1.0	-43.22	339.86	6.16	-37.06
CCCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637155	1	47	-1.0	-43.23	339.92	6.18	-37.05
CCC(C)C(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637156	0	42	-1.0	-42.29	307.70	2.83	-39.46
CCC(C)C(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637156	1	42	-1.0	-42.33	307.76	2.85	-39.48
NC(=O)NC(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637157	0	39	-1.0	-47.10	314.17	-4.56	-51.66
NC(=O)NC(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637157	1	39	-1.0	-47.13	314.23	-4.55	-51.68
O=C(C1CC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637158	0	35	-1.0	-45.16	282.58	3.55	-41.61
O=C(C1CC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637158	1	35	-1.0	-45.18	282.64	3.57	-41.61
CN1CCOCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637159	0	42	-1.0	-43.92	317.86	0.78	-43.14
CN1CCOCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637159	1	42	-1.0	-43.89	317.91	0.78	-43.11
CC(C)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637160	0	35	-1.0	-40.64	273.51	3.62	-37.02
CC(C)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637160	1	35	-1.0	-40.66	273.58	3.63	-37.03
O=C(C1=CN=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637161	0	32	-1.0	-52.25	265.46	0.17	-52.08
O=C(C1=CN=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637161	1	32	-1.0	-52.23	265.40	0.16	-52.07
CCCC(CCC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637162	0	47	-1.0	-43.49	347.84	6.33	-37.16
CCCC(CCC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637162	1	47	-1.0	-43.53	347.90	6.34	-37.19
CC1=NN=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637163	0	37	-1.0	-52.67	299.65	2.97	-49.70
CC1=NN=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637163	1	37	-1.0	-52.72	299.71	2.98	-49.74
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCO1	REAL250004637164	0	41	-1.0	-54.90	319.62	4.28	-50.62
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCO1	REAL250004637164	1	41	-1.0	-54.92	319.69	4.29	-50.63
COCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637165	0	42	-1.0	-43.14	315.00	3.07	-40.07
COCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637165	1	42	-1.0	-43.17	315.05	3.08	-40.09
O=C(CN1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637166	1	41	-1.0	-53.13	310.13	2.43	-50.70
O=C(CN1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637167	0	42	-1.0	-53.43	320.57	1.16	-52.27
O=C(CN1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637167	1	42	-1.0	-53.42	320.63	1.17	-52.25
CSC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637168	0	39	-1.0	-44.84	314.12	5.05	-39.79
CSC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637168	1	39	-1.0	-44.85	314.19	5.05	-39.80
NC(=O)NC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637169	0	39	-1.0	-56.70	315.87	-0.51	-57.21
NC(=O)NC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637169	1	39	-1.0	-56.63	315.93	-0.49	-57.12
COCCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637170	0	43	-1.0	-44.17	336.36	4.02	-40.15
COCCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637170	1	43	-1.0	-44.14	336.42	4.04	-40.10
CCC(SC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637171	0	39	-1.0	-43.69	313.93	4.86	-38.83
CCC(SC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637171	1	39	-1.0	-43.67	313.99	4.88	-38.79
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=CC=C1	REAL250004637172	0	40	-1.0	-46.52	317.46	5.70	-40.82
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=CC=C1	REAL250004637172	1	40	-1.0	-46.52	317.53	5.71	-40.81
CCN(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637173	1	44	-1.0	-53.87	332.63	3.66	-50.21
CCN(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637173	1	44	-1.0	-53.88	332.70	3.67	-50.21
O=C(C1=NNC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637174	0	32	-1.0	-59.14	263.90	3.20	-55.94
O=C(C1=NNC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637174	1	32	-1.0	-59.14	263.96	3.20	-55.94
C=CC(=O)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637175	0	40	-1.0	-64.04	327.02	2.08	-61.96
C=CC(=O)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637175	1	40	-1.0	-64.04	327.08	2.09	-61.95
CC1(OCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637176	0	43	-1.0	-57.73	331.76	5.40	-52.33
CC1(OCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637176	1	43	-1.0	-57.77	331.82	5.40	-52.37
O=C(C1CCCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637177	0	40	-1.0	-47.04	302.96	4.36	-42.68
O=C(C1CCCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637177	1	40	-1.0	-47.04	303.02	4.36	-42.68
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637178	0	40	-1.0	-37.54	300.76	5.48	-32.06
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637178	1	40	-1.0	-37.58	300.81	5.49	-32.09
CC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004637179	0	37	-1.0	-46.77	301.36	0.84	-45.93
CC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004637179	1	37	-1.0	-46.72	301.42	0.86	-45.86
CCC(C)OCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637180	0	42	-1.0	-57.13	329.68	5.12	-52.01
CCC(C)OCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637180	1	42	-1.0	-57.14	329.74	5.13	-52.01
CC(C)C(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637181	0	42	-1.0	-47.32	322.47	2.85	-44.47
CC(C)C(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637181	1	42	-1.0	-47.35	322.53	2.87	-44.48
O=C(CC1COC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637183	0	39	-1.0	-49.15	310.58	4.41	-44.74
O=C(CC1COC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637183	1	39	-1.0	-49.18	310.64	4.43	-44.75
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004637184	0	37	-1.0	-50.10	300.89	4.67	-45.43
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004637184	1	37	-1.0	-50.11	300.95	4.67	-45.44
O=C(CC1=CC=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637186	0	36	-1.0	-56.62	294.85	4.35	-52.27
O=C(CC1=CC=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637186	1	36	-1.0	-56.59	294.90	4.36	-52.23
CCCC(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637187	0	42	-1.0	-47.33	327.29	3.12	-44.21
CCCC(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637187	1	42	-1.0	-47.35	327.35	3.14	-44.21
CC1(C)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637188	0	39	-1.0	-43.52	300.13	5.17	-38.35
CC1(C)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637188	1	39	-1.0	-43.52	300.19	5.18	-38.34
N#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637189	0	35	-1.0	-50.68	294.75	3.79	-46.89
N#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637189	1	35	-1.0	-50.71	294.81	3.79	-46.92
CCOC=C(C#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637190	0	38	-1.0	-54.43	322.74	3.87	-50.56
CCOC=C(C#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637190	1	38	-1.0	-54.44	322.80	3.87	-50.57
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC(CC1)C2	REAL250004637191	0	43	-1.0	-43.76	314.37	5.73	-38.03
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC(CC1)C2	REAL250004637191	1	43	-1.0	-43.78	314.44	5.75	-38.03
CCC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637192	0	38	-1.0	-50.94	308.71	2.52	-48.42
CCC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637192	1	38	-1.0	-50.92	308.77	2.52	-48.40
COC(=O)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637193	0	41	-1.0	-52.01	330.52	4.81	-47.20
COC(=O)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637193	1	41	-1.0	-51.98	330.59	4.82	-47.16
O=C(C1=CC=C(F)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637194	0	35	-1.0	-49.90	290.78	4.32	-45.58
O=C(C1=CC=C(F)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637194	1	35	-1.0	-49.89	290.72	4.31	-45.58
CCC(C)=C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637195	0	42	-1.0	-54.49	326.99	5.58	-48.91
CCC(C)=C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637195	1	42	-1.0	-54.49	327.05	5.58	-48.91
O=C(CCCCO)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637196	0	39	-1.0	-45.19	308.04	1.42	-43.77
O=C(CCCCO)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637196	1	39	-1.0	-45.22	308.11	1.44	-43.78
CC1=NSC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637197	0	35	-1.0	-51.52	293.78	3.49	-48.03
CC1=NSC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637197	1	35	-1.0	-51.52	293.85	3.49	-48.03
O=C(C1CCCCS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637198	0	40	-1.0	-46.16	315.54	5.48	-40.68
O=C(C1CCCCS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637198	1	40	-1.0	-46.19	315.60	5.49	-40.70
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)COC1	REAL250004637199	0	37	-1.0	-43.99	284.97	1.96	-42.03
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)COC1	REAL250004637199	1	37	-1.0	-43.98	285.03	1.98	-42.00
O=C(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)NC1CC1	REAL250004637200	0	40	-1.0	-67.32	321.79	3.95	-63.37
O=C(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)NC1CC1	REAL250004637200	1	40	-1.0	-67.35	321.85	3.95	-63.40
C#CCNC(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637201	0	38	-1.0	-66.19	317.42	3.60	-62.59
C#CCNC(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637201	1	38	-1.0	-66.20	317.48	3.60	-62.60
CC1CCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637202	0	42	-1.0	-44.10	308.27	5.67	-38.43
CC1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637202	1	42	-1.0	-44.08	308.36	5.68	-38.40
CC1OCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637203	0	40	-1.0	-43.74	304.84	3.06	-40.68
CC1OCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637203	1	40	-1.0	-43.75	304.91	3.07	-40.68
COCCCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637204	0	43	-1.0	-59.60	343.85	3.45	-56.15
COCCCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637204	1	43	-1.0	-59.64	343.91	3.45	-56.19
O=C(C1CCC=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637205	0	38	-1.0	-46.59	294.80	4.63	-41.96
O=C(C1CCC=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637205	1	38	-1.0	-46.62	294.86	4.64	-41.98
CC(C)(C)OCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637206	0	42	-1.0	-57.04	322.95	4.72	-52.32
CC(C)(C)OCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637206	1	42	-1.0	-57.06	323.01	4.73	-52.33
N#CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN1	REAL250004637207	0	35	-1.0	-59.90	295.18	3.30	-56.60
N#CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN1	REAL250004637207	1	35	-1.0	-59.89	295.25	3.30	-56.59
COCCCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637208	0	45	-1.0	-43.93	345.72	4.18	-39.75
COCCCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637208	1	45	-1.0	-43.95	345.78	4.20	-39.75
CSC(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637209	0	42	-1.0	-43.41	336.04	5.78	-37.63
CSC(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637209	1	42	-1.0	-43.44	336.10	5.77	-37.67
C#CCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637210	0	40	-1.0	-44.87	323.91	6.06	-38.81
C#CCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637210	1	40	-1.0	-44.85	323.97	6.08	-38.77
COCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637211	0	40	-1.0	-46.91	315.62	3.32	-43.59
COCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637211	1	40	-1.0	-46.93	315.69	3.34	-43.59
CC(Cl)(Cl)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637212	0	32	-1.0	-37.52	279.91	3.97	-33.55
CC(Cl)(Cl)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637212	1	32	-1.0	-37.52	279.97	3.97	-33.55
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCSC1	REAL250004637213	0	38	-1.0	-43.09	296.60	2.10	-40.99
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCSC1	REAL250004637213	1	38	-1.0	-43.12	296.66	2.11	-41.01
O=C(C1SCCS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637214	0	35	-1.0	-53.47	295.77	4.62	-48.85
O=C(C1SCCS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637214	1	35	-1.0	-53.55	295.84	4.63	-48.92
O=C(C1=CC=CC(F)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637215	0	35	-1.0	-50.92	290.37	4.22	-46.70
O=C(C1=CC=CC(F)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637215	1	35	-1.0	-50.94	290.31	4.21	-46.73
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=NC=N1	REAL250004637216	0	38	-1.0	-45.80	305.81	5.21	-40.59
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=NC=N1	REAL250004637216	1	38	-1.0	-45.79	305.75	5.20	-40.59
O=C([C@@H]1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637217	0	37	-1.0	-47.17	285.91	3.62	-43.55
O=C([C@@H]1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637217	1	37	-1.0	-47.15	285.97	3.64	-43.51
O=C([C@H]1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637218	0	37	-1.0	-47.38	286.09	3.65	-43.73
O=C([C@H]1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637218	1	37	-1.0	-47.34	286.16	3.65	-43.69
COC(=O)N[C@@H](C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637219	0	40	-1.0	-44.98	320.96	0.93	-44.05
COC(=O)N[C@@H](C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637219	1	40	-1.0	-45.02	321.02	0.95	-44.07
C#CCOCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637220	0	38	-1.0	-51.88	315.38	3.82	-48.06
C#CCOCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637220	1	38	-1.0	-51.86	315.44	3.82	-48.04
CC(O)(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637221	0	43	-1.0	-46.20	325.60	3.63	-42.57
CC(O)(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637221	1	43	-1.0	-46.21	325.67	3.65	-42.56
CCC(CC)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637222	0	47	-1.0	-42.56	337.09	6.09	-36.47
CCC(CC)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637222	1	47	-1.0	-42.58	337.15	6.11	-36.47
CC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCO1	REAL250004637223	0	43	-1.0	-45.50	326.81	4.01	-41.49
CC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCO1	REAL250004637223	1	43	-1.0	-45.52	326.88	4.02	-41.50
CC1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637224	0	42	-1.0	-40.98	316.24	5.64	-35.34
CC1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637224	1	42	-1.0	-41.01	316.30	5.65	-35.36
O=C(C1=CN=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637225	0	34	-1.0	-50.51	279.62	3.18	-47.33
O=C(C1=CN=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637225	1	34	-1.0	-50.46	279.55	3.18	-47.28
O=C(C1=NC=CC=C1O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637226	0	36	-1.0	-41.02	295.10	2.27	-38.75
O=C(C1=NC=CC=C1O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637226	1	36	-1.0	-41.07	295.17	2.27	-38.80
O=C(C1CC12CCOC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637227	0	41	-1.0	-45.38	316.61	3.89	-41.49
O=C(C1CC12CCOC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637227	1	41	-1.0	-45.34	316.67	3.91	-41.43
CN1N=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1N	REAL250004637228	0	38	-1.0	-52.80	305.04	1.85	-50.95
CN1N=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1N	REAL250004637228	1	38	-1.0	-52.83	304.98	1.85	-50.98
O=C(C1=CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637229	0	38	-1.0	-41.00	297.99	3.04	-37.96
O=C(C1=CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637229	1	38	-1.0	-41.05	298.05	3.05	-38.00
CCC(C)(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637230	0	44	-1.0	-44.50	313.75	4.86	-39.64
CCC(C)(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637230	1	44	-1.0	-44.51	313.83	4.85	-39.66
O=C(C1=CSC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637231	0	33	-1.0	-50.74	287.75	1.06	-49.68
O=C(C1=CSC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637231	1	33	-1.0	-50.77	287.82	1.06	-49.71
COC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637232	0	39	-1.0	-43.90	315.03	4.39	-39.51
COC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637232	1	39	-1.0	-43.91	315.09	4.41	-39.50
CC#CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637233	0	40	-1.0	-47.57	324.17	6.26	-41.31
CC#CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637233	1	40	-1.0	-47.56	324.23	6.26	-41.30
C#CCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637234	0	40	-1.0	-43.58	306.89	4.97	-38.61
C#CCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637234	1	40	-1.0	-43.62	306.95	4.98	-38.64
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOC1	REAL250004637235	0	40	-1.0	-41.33	298.22	2.63	-38.70
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOC1	REAL250004637235	1	40	-1.0	-41.38	298.28	2.63	-38.75
COCCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637236	0	45	-1.0	-46.19	330.77	3.41	-42.78
COCCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637236	1	45	-1.0	-46.21	330.83	3.43	-42.78
O=C(C1C=CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637237	0	40	-1.0	-44.08	306.45	5.55	-38.53
O=C(C1C=CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637237	1	40	-1.0	-44.14	306.51	5.56	-38.58
COC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637238	0	40	-1.0	-41.78	306.38	3.46	-38.32
COC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637238	1	40	-1.0	-41.79	306.44	3.46	-38.33
COC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637239	0	36	-1.0	-47.29	298.30	0.79	-46.50
COC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637239	1	36	-1.0	-47.26	298.23	0.79	-46.47
CCNC(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637240	0	39	-1.0	-67.24	311.64	3.10	-64.14
CCNC(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637240	1	39	-1.0	-67.25	311.70	3.11	-64.14
CNC(=O)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637241	0	42	-1.0	-55.64	334.67	2.33	-53.31
CNC(=O)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637241	1	42	-1.0	-55.69	334.74	2.34	-53.35
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCOC1	REAL250004637242	0	43	-1.0	-47.33	311.95	4.11	-43.22
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCOC1	REAL250004637242	1	43	-1.0	-47.31	312.01	4.13	-43.18
C#CCCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637243	0	43	-1.0	-46.33	345.34	6.86	-39.47
C#CCCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637243	1	43	-1.0	-46.30	345.40	6.87	-39.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCC1	REAL250004637244	0	37	-1.0	-42.47	288.01	1.27	-41.20
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCC1	REAL250004637244	1	37	-1.0	-42.46	288.07	1.27	-41.19
CC1(C)CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637245	0	45	-1.0	-43.62	333.68	6.04	-37.58
CC1(C)CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637245	1	45	-1.0	-43.63	333.74	6.05	-37.58
COC(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637246	0	42	-1.0	-43.92	328.27	3.84	-40.08
COC(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637246	1	42	-1.0	-43.95	328.34	3.85	-40.10
C[C@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004637247	0	42	-1.0	-45.11	327.69	6.57	-38.54
C[C@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004637247	1	42	-1.0	-45.14	327.75	6.59	-38.55
C[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004637248	0	42	-1.0	-44.06	329.68	6.58	-37.48
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004637248	1	42	-1.0	-44.11	329.74	6.59	-37.52
CCC(C)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637249	0	44	-1.0	-43.62	326.45	5.50	-38.12
CCC(C)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637249	1	44	-1.0	-43.63	326.52	5.52	-38.11
CC(C)OCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637250	0	45	-1.0	-46.64	350.86	4.78	-41.86
CC(C)OCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637250	1	45	-1.0	-46.65	350.93	4.79	-41.86
CN1C(=O)CC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637251	0	40	-1.0	-50.73	315.93	3.44	-47.29
CN1C(=O)CC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637251	1	40	-1.0	-50.74	315.99	3.46	-47.28
C=CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637252	0	43	-1.0	-44.64	324.37	5.79	-38.85
C=CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637252	1	43	-1.0	-44.68	324.44	5.79	-38.89
COC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637253	0	43	-1.0	-46.25	327.60	4.76	-41.49
COC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637253	1	43	-1.0	-46.28	327.66	4.77	-41.51
CC1OCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637254	0	43	-1.0	-41.49	323.55	3.93	-37.56
CC1OCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637254	1	43	-1.0	-41.50	323.61	3.95	-37.55
C#CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637255	0	37	-1.0	-46.83	302.34	5.30	-41.53
C#CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637255	1	37	-1.0	-46.86	302.41	5.30	-41.56
CC(=O)OC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637256	0	39	-1.0	-48.58	319.39	4.66	-43.92
CC(=O)OC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637256	1	39	-1.0	-48.57	319.45	4.67	-43.90
CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637257	0	39	-1.0	-43.72	304.45	5.26	-38.46
CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637257	1	39	-1.0	-43.74	304.52	5.27	-38.47
CCC(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637259	0	41	-1.0	-43.66	310.08	5.25	-38.41
CCC(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637259	1	41	-1.0	-43.68	310.14	5.27	-38.41
CC(F)(F)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637260	0	35	-1.0	-60.49	285.97	4.20	-56.29
CC(F)(F)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637260	1	35	-1.0	-60.52	286.03	4.21	-56.31
CCC(C(=O)OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637261	0	41	-1.0	-45.58	326.73	4.42	-41.16
CCC(C(=O)OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637261	1	41	-1.0	-45.60	326.79	4.43	-41.17
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL250004637262	0	45	-1.0	-41.23	318.25	5.54	-35.69
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL250004637262	1	45	-1.0	-41.24	318.31	5.55	-35.69
O=C(CCN1C=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637263	0	38	-1.0	-52.46	310.39	2.96	-49.50
O=C(CCN1C=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637263	1	38	-1.0	-52.46	310.32	2.96	-49.50
O=C(CC1OCCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637264	0	41	-1.0	-53.90	319.40	3.60	-50.30
O=C(CC1OCCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637264	1	41	-1.0	-53.92	319.48	3.61	-50.31
O=C(CC1OCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637265	0	38	-1.0	-55.03	301.22	2.68	-52.35
O=C(CC1OCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637265	1	38	-1.0	-55.01	301.28	2.68	-52.33
C=CC(C)(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637266	0	42	-1.0	-43.65	301.56	5.27	-38.38
C=CC(C)(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637266	1	42	-1.0	-43.61	301.62	5.28	-38.33
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637267	0	36	-1.0	-56.30	292.82	4.12	-52.18
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637267	1	36	-1.0	-56.26	292.88	4.13	-52.13
O=C(C=CC1=CC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637268	0	38	-1.0	-56.48	308.01	4.60	-51.88
O=C(C=CC1=CC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637268	1	38	-1.0	-56.48	308.07	4.61	-51.87
O=C(CCC1=CNC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637269	0	39	-1.0	-56.36	314.82	4.56	-51.80
O=C(CCC1=CNC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637269	1	39	-1.0	-56.36	314.89	4.56	-51.80
O=C(CCC1=CN=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637269	1	39	-1.0	-54.41	314.89	4.53	-49.88
O=C(C=CC1=CNC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637270	0	37	-1.0	-57.71	304.77	4.45	-53.26
O=C(C=CC1=CNC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637270	1	37	-1.0	-57.69	304.83	4.45	-53.24
CC(=O)N1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637271	0	40	-1.0	-49.27	320.80	3.02	-46.25
CC(=O)N1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637271	1	40	-1.0	-49.30	320.87	3.03	-46.27
O=C(NCC1CC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637272	0	40	-1.0	-45.38	321.86	2.31	-43.07
O=C(NCC1CC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637272	1	40	-1.0	-45.38	321.92	2.32	-43.06
O=C(C1=CCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637273	0	40	-1.0	-53.54	309.51	5.54	-48.00
O=C(C1=CCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637273	1	40	-1.0	-53.56	309.57	5.54	-48.02
CC(C)C1(C)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637274	0	45	-1.0	-43.04	329.27	6.14	-36.90
CC(C)C1(C)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637274	1	45	-1.0	-43.05	329.33	6.15	-36.90
O=C(CC1=COC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637275	0	36	-1.0	-54.93	294.81	4.18	-50.75
O=C(CC1=COC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637275	1	36	-1.0	-54.95	294.88	4.18	-50.77
O=C(CC1=CN=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637276	0	35	-1.0	-54.87	298.90	3.46	-51.41
O=C(CC1=CN=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637276	1	35	-1.0	-54.88	298.84	3.46	-51.42
CC(C)C(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637277	0	44	-1.0	-44.10	313.32	4.77	-39.33
CC(C)C(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637277	1	44	-1.0	-44.09	313.39	4.77	-39.32
CC1=NNN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637278	0	35	-1.0	-48.98	282.84	1.42	-47.56
CC1=NNN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637278	1	35	-1.0	-48.94	282.90	1.43	-47.51
CC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CO1	REAL250004637279	0	40	-1.0	-41.18	307.95	3.26	-37.92
CC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CO1	REAL250004637279	1	40	-1.0	-41.19	308.01	3.27	-37.92
CC(C)C(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637280	0	38	-1.0	-44.78	296.95	4.40	-40.38
CC(C)C(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637280	1	38	-1.0	-44.85	297.01	4.42	-40.43
CC1OC(=O)NC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637281	0	38	-1.0	-50.72	301.80	0.32	-50.40
CC1OC(=O)NC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637281	1	38	-1.0	-50.72	301.89	0.32	-50.40
CC(C)(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637282	0	39	-1.0	-43.54	292.74	0.67	-42.87
CC(C)(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637282	1	39	-1.0	-43.60	292.81	0.67	-42.93
CCN1N=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637283	0	39	-1.0	-51.85	308.33	3.80	-48.05
CCN1N=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637283	1	39	-1.0	-51.83	308.27	3.80	-48.03
O=C(C1=CCCCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637284	0	43	-1.0	-54.40	315.48	5.76	-48.64
O=C(C1=CCCCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637284	1	43	-1.0	-54.43	315.53	5.77	-48.66
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N(C)C=C1	REAL250004637285	0	40	-1.0	-54.95	322.06	5.39	-49.56
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N(C)C=C1	REAL250004637285	1	40	-1.0	-54.98	322.13	5.39	-49.59
CC(C)C(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637286	0	42	-1.0	-40.81	307.65	1.85	-38.96
CC(C)C(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637286	1	42	-1.0	-40.84	307.71	1.87	-38.97
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637287	0	42	-1.0	-42.48	321.26	4.44	-38.04
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637287	1	42	-1.0	-42.48	321.32	4.45	-38.03
CN1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004637288	0	40	-1.0	-43.49	310.30	2.98	-40.51
CN1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004637288	1	40	-1.0	-43.52	310.37	2.98	-40.54
CC1(C)CCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637289	0	45	-1.0	-43.98	325.73	6.09	-37.89
CC1(C)CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637289	1	45	-1.0	-43.97	325.79	6.09	-37.88
CC(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637290	0	36	-1.0	-40.28	277.89	0.68	-39.60
CC(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637290	1	36	-1.0	-40.30	277.96	0.69	-39.61
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCOCC1	REAL250004637291	0	41	-1.0	-40.89	305.01	0.26	-40.63
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCOCC1	REAL250004637291	1	41	-1.0	-40.89	305.07	0.28	-40.61
CN1C=NC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637292	0	39	-1.0	-59.14	313.88	5.30	-53.84
CN1C=NC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637292	1	39	-1.0	-59.13	313.94	5.31	-53.82
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CNC(=O)C1	REAL250004637293	0	40	-1.0	-46.40	305.45	0.87	-45.53
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CNC(=O)C1	REAL250004637293	1	40	-1.0	-46.42	305.51	0.89	-45.53
CC(C)(O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637294	0	42	-1.0	-43.50	323.45	2.04	-41.46
CC(C)(O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637294	1	42	-1.0	-43.51	323.52	2.04	-41.47
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCCC1	REAL250004637295	0	39	-1.0	-43.20	297.47	4.92	-38.28
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCCC1	REAL250004637295	1	39	-1.0	-43.22	297.53	4.94	-38.28
O=C(C1=CC=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637296	0	34	-1.0	-50.22	279.27	4.06	-46.16
O=C(C1=CC=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637296	1	34	-1.0	-50.19	279.20	4.05	-46.14
O=C(CC1C=CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637297	0	43	-1.0	-45.13	325.67	6.38	-38.75
O=C(CC1C=CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637297	1	43	-1.0	-45.13	325.74	6.38	-38.75
CC1CCCC1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637298	0	45	-1.0	-43.87	331.11	6.27	-37.60
CC1CCCC1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637298	1	45	-1.0	-43.87	331.17	6.28	-37.59
CN1C(=O)CCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637299	0	40	-1.0	-52.11	316.81	3.48	-48.63
CN1C(=O)CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637299	1	40	-1.0	-52.11	316.88	3.48	-48.63
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637300	0	35	-1.0	-51.58	287.24	1.75	-49.83
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637300	1	35	-1.0	-51.61	287.30	1.75	-49.86
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004637301	0	42	-1.0	-45.56	328.18	6.50	-39.06
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004637301	1	42	-1.0	-45.58	328.24	6.51	-39.07
C[C@H](NC(N)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637302	0	38	-1.0	-45.96	303.06	-1.30	-47.26
C[C@H](NC(N)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637302	1	38	-1.0	-45.96	303.11	-1.28	-47.24
CC(=O)OC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637303	0	41	-1.0	-43.54	315.50	4.37	-39.17
CC(=O)OC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637303	1	41	-1.0	-43.54	315.57	4.37	-39.17
O=C(C1CCC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637304	0	39	-1.0	-47.01	299.19	4.99	-42.02
O=C(C1CCC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637304	1	39	-1.0	-46.99	299.26	5.00	-41.99
O=C([C@H]1CCCC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637305	0	40	-1.0	-51.05	310.48	1.88	-49.17
O=C([C@H]1CCCC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637305	1	40	-1.0	-51.09	310.54	1.90	-49.19
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCC1	REAL250004637306	0	36	-1.0	-42.65	284.11	4.44	-38.21
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCC1	REAL250004637306	1	36	-1.0	-42.70	284.18	4.46	-38.24
CCOCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637307	0	43	-1.0	-47.72	337.46	4.32	-43.40
CCOCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637307	1	43	-1.0	-47.75	337.53	4.34	-43.41
CC1CC(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637308	0	43	-1.0	-47.52	323.49	4.80	-42.72
CC1CC(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637308	1	43	-1.0	-47.56	323.55	4.82	-42.74
CCCC(C)(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637309	0	47	-1.0	-41.37	335.29	5.62	-35.75
CCCC(C)(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637309	1	47	-1.0	-41.42	335.35	5.64	-35.78
O=C(C1=CC=C(F)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637310	0	35	-1.0	-49.90	290.78	4.32	-45.58
O=C(C1=CC=C(F)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637310	1	35	-1.0	-49.89	290.72	4.31	-45.58
CSCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637311	0	42	-1.0	-42.84	323.26	4.93	-37.91
CSCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637311	1	42	-1.0	-42.84	323.32	4.94	-37.90
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637312	0	36	-1.0	-43.26	296.16	4.86	-38.40
O=C([C@H]1C[C@@H]1C(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637312	1	36	-1.0	-43.28	296.22	4.87	-38.41
CCCCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637313	0	44	-1.0	-43.52	333.55	5.89	-37.63
CCCCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637313	1	44	-1.0	-43.52	333.61	5.91	-37.61
CC(CC(N)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637314	0	39	-1.0	-44.06	305.76	0.48	-43.58
CC(CC(N)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637314	1	39	-1.0	-44.04	305.82	0.49	-43.55
CN1N=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637315	0	35	-1.0	-48.71	282.58	1.53	-47.18
CN1N=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637315	1	35	-1.0	-48.67	282.52	1.52	-47.15
O=C(C1CCCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637316	0	43	-1.0	-45.49	320.28	3.89	-41.60
O=C(C1CCCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637316	1	43	-1.0	-45.48	320.34	3.90	-41.58
COC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637317	0	42	-1.0	-46.66	316.03	4.46	-42.20
COC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637317	1	42	-1.0	-46.63	316.10	4.46	-42.17
C=C(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637318	0	34	-1.0	-59.05	279.46	0.20	-58.85
C=C(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637318	1	34	-1.0	-59.07	279.53	0.21	-58.86
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC=N1	REAL250004637319	0	39	-1.0	-58.21	314.45	4.26	-53.95
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC=N1	REAL250004637319	1	39	-1.0	-58.27	314.52	4.26	-54.01
O=C(C1=NC=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637320	0	32	-1.0	-58.07	274.84	2.23	-55.84
O=C(C1=NC=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637320	1	32	-1.0	-58.04	274.79	2.23	-55.81
CC(C)(C#N)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637321	0	39	-1.0	-42.43	306.04	4.74	-37.69
CC(C)(C#N)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637321	1	39	-1.0	-42.40	306.11	4.74	-37.66
CCC(C)(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637322	0	42	-1.0	-47.19	307.37	3.84	-43.35
CCC(C)(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637322	1	42	-1.0	-47.19	307.43	3.86	-43.33
O=C(C1CCC(F)(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637323	0	39	-1.0	-42.74	305.71	5.07	-37.67
O=C(C1CCC(F)(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637323	1	39	-1.0	-42.73	305.77	5.08	-37.65
CC1(C)CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637324	0	43	-1.0	-47.75	327.58	4.99	-42.76
CC1(C)CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637324	1	43	-1.0	-47.74	327.64	5.01	-42.73
CCN1C=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637325	0	39	-1.0	-51.98	309.87	5.38	-46.60
CCN1C=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637325	1	39	-1.0	-51.95	309.81	5.38	-46.57
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC=C1	REAL250004637326	0	37	-1.0	-52.54	299.62	3.70	-48.84
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC=C1	REAL250004637326	1	37	-1.0	-52.59	299.69	3.71	-48.88
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CO1	REAL250004637327	0	39	-1.0	-53.79	311.80	4.85	-48.94
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CO1	REAL250004637327	1	39	-1.0	-53.80	311.86	4.86	-48.94
C#CC1=CN=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637328	0	37	-1.0	-52.91	312.08	4.53	-48.38
C#CC1=CN=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637328	1	37	-1.0	-52.92	312.14	4.53	-48.39
O=C(C1=CC=CN=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637329	0	35	-1.0	-61.69	292.15	3.42	-58.27
O=C(C1=CC=CN=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637329	1	35	-1.0	-61.72	292.08	3.41	-58.31
O=C(C1=CN=CC(O)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637330	0	36	-1.0	-52.55	295.82	0.47	-52.08
O=C(C1=CN=CC(O)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637330	1	36	-1.0	-52.56	295.88	0.47	-52.09
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=N1	REAL250004637331	0	38	-1.0	-53.31	305.91	4.03	-49.28
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=N1	REAL250004637331	1	38	-1.0	-53.33	305.98	4.03	-49.30
O=C(CCC1=NC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637332	0	39	-1.0	-53.65	314.90	3.70	-49.95
O=C(CCC1=NC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637332	1	39	-1.0	-53.68	314.97	3.70	-49.98
O=C(C1CCC(O)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637333	0	43	-1.0	-44.00	325.47	2.29	-41.71
O=C(C1CCC(O)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637333	1	43	-1.0	-43.98	325.53	2.29	-41.69
O=C(C1=CN=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637334	0	32	-1.0	-54.37	273.58	2.29	-52.08
O=C(C1=CN=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637334	1	32	-1.0	-54.33	273.52	2.29	-52.04
O=C(CC1CCCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637335	0	43	-1.0	-46.39	324.41	4.12	-42.27
O=C(CC1CCCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637335	1	43	-1.0	-46.38	324.48	4.13	-42.25
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CN1C	REAL250004637336	0	40	-1.0	-56.71	316.04	5.42	-51.29
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CN1C	REAL250004637336	1	40	-1.0	-56.72	316.10	5.43	-51.29
C=CC(C)(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637337	0	40	-1.0	-46.06	310.43	3.04	-43.02
C=CC(C)(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637337	1	40	-1.0	-46.05	310.50	3.05	-43.00
CC(=O)CSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637338	0	38	-1.0	-65.35	321.63	4.52	-60.83
CC(=O)CSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637338	1	38	-1.0	-65.35	321.69	4.52	-60.83
CC1COCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637339	0	43	-1.0	-43.71	314.17	3.62	-40.09
CC1COCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637339	1	43	-1.0	-43.74	314.24	3.64	-40.10
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NS1	REAL250004637340	0	35	-1.0	-51.90	294.92	4.03	-47.87
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NS1	REAL250004637340	1	35	-1.0	-51.90	294.98	4.04	-47.86
CC(C)(C(N)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637341	0	39	-1.0	-52.12	293.12	0.19	-51.93
CC(C)(C(N)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637341	1	39	-1.0	-52.11	293.18	0.20	-51.91
CSC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637342	0	40	-1.0	-41.66	317.68	5.21	-36.45
CSC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637342	1	40	-1.0	-41.65	317.74	5.21	-36.44
CC1=CC=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637343	0	37	-1.0	-59.53	303.02	3.68	-55.85
CC1=CC=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637343	1	37	-1.0	-59.56	303.09	3.69	-55.87
CC(C)(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637344	0	39	-1.0	-46.83	300.55	2.32	-44.51
CC(C)(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637344	1	39	-1.0	-46.82	300.61	2.32	-44.50
O=C(CCC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637345	0	35	-1.0	-54.72	288.26	4.27	-50.45
O=C(CCC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637345	1	35	-1.0	-54.74	288.33	4.27	-50.47
CC=C(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637346	0	39	-1.0	-53.84	307.13	5.04	-48.80
CC=C(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637346	1	39	-1.0	-53.87	307.19	5.04	-48.83
CN1C=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637347	0	36	-1.0	-53.27	286.25	4.24	-49.03
CN1C=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637347	1	36	-1.0	-53.27	286.19	4.24	-49.03
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637348	0	40	-1.0	-44.86	312.35	4.72	-40.14
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637348	1	40	-1.0	-44.88	312.41	4.72	-40.16
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(F)F	REAL250004637349	0	38	-1.0	-43.62	293.02	4.03	-39.59
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(F)F	REAL250004637349	1	38	-1.0	-43.65	293.09	4.04	-39.61
COC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004637350	0	43	-1.0	-42.18	318.29	4.17	-38.01
COC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004637350	1	43	-1.0	-42.16	318.35	4.19	-37.97
CCC(C)C(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637351	0	45	-1.0	-45.45	330.16	5.06	-40.39
CCC(C)C(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637351	1	45	-1.0	-45.46	330.22	5.07	-40.39
O=C(C[C@H]1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637353	0	40	-1.0	-46.56	308.07	3.36	-43.20
O=C(C[C@H]1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637353	1	40	-1.0	-46.59	308.12	3.36	-43.23
O=C(C1=C(Cl)OC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637354	0	33	-1.0	-55.45	287.34	3.85	-51.60
O=C(C1=C(Cl)OC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637354	1	33	-1.0	-55.46	287.41	3.85	-51.61
CSC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637355	0	37	-1.0	-41.78	306.60	4.86	-36.92
CSC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637355	1	37	-1.0	-41.76	306.66	4.87	-36.89
CC(C)[C@H](O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637357	0	39	-1.0	-42.05	296.85	2.37	-39.68
CC(C)[C@H](O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637357	1	39	-1.0	-42.03	296.91	2.39	-39.64
CCC(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637358	0	44	-1.0	-43.83	332.35	5.94	-37.89
CCC(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637358	1	44	-1.0	-43.87	332.42	5.95	-37.92
CC1=NOC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637359	0	38	-1.0	-58.98	311.01	4.39	-54.59
CC1=NOC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637359	1	38	-1.0	-59.01	311.07	4.39	-54.62
O=C(C(O)C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637360	0	37	-1.0	-41.28	290.35	2.33	-38.95
O=C(C(O)C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637360	1	37	-1.0	-41.26	290.41	2.34	-38.92
CCC1OCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637361	0	43	-1.0	-43.73	325.35	3.83	-39.90
CCC1OCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637361	1	43	-1.0	-43.73	325.41	3.85	-39.88
COC(=O)COCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637362	0	39	-1.0	-67.27	323.15	4.07	-63.20
COC(=O)COCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637362	1	39	-1.0	-67.26	323.21	4.08	-63.18
CC(C)[C@@H](O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637363	0	39	-1.0	-41.46	297.09	2.38	-39.08
CC(C)[C@@H](O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637363	1	39	-1.0	-41.48	297.15	2.38	-39.10
CC(O)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637364	0	40	-1.0	-42.23	303.46	2.36	-39.87
CC(O)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637364	1	40	-1.0	-42.22	303.52	2.38	-39.84
CC1(C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637365	0	42	-1.0	-43.64	320.11	5.57	-38.07
CC1(C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637365	1	42	-1.0	-43.62	320.18	5.58	-38.04
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CS1	REAL250004637366	0	36	-1.0	-55.20	300.87	4.97	-50.23
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CS1	REAL250004637366	1	36	-1.0	-55.21	300.93	4.98	-50.23
CC1=COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C	REAL250004637367	0	39	-1.0	-52.96	310.29	4.88	-48.08
CC1=COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C	REAL250004637367	1	39	-1.0	-52.93	310.36	4.89	-48.04
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CN1	REAL250004637368	0	40	-1.0	-55.97	316.15	4.49	-51.48
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CN1	REAL250004637368	1	40	-1.0	-56.02	316.22	4.49	-51.53
CCC(C)(C#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637369	0	39	-1.0	-46.09	301.80	3.93	-42.16
CCC(C)(C#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637369	1	39	-1.0	-46.10	301.87	3.94	-42.16
O=C(COC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637370	0	33	-1.0	-54.16	278.42	2.97	-51.19
O=C(COC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637370	1	33	-1.0	-54.19	278.48	2.97	-51.22
COCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637371	0	43	-1.0	-46.88	325.85	3.69	-43.19
COCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637371	1	43	-1.0	-46.84	325.92	3.70	-43.14
CN1N=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637372	0	35	-1.0	-51.85	287.22	1.95	-49.90
CN1N=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637372	1	35	-1.0	-51.85	287.16	1.94	-49.91
O=C(C1COC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637373	0	35	-1.0	-52.38	284.92	-0.28	-52.66
O=C(C1COC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637373	1	35	-1.0	-52.38	284.98	-0.26	-52.64
CC1=COC(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637374	0	39	-1.0	-53.71	318.56	4.90	-48.81
CC1=COC(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637374	1	39	-1.0	-53.68	318.63	4.91	-48.77
CON=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637375	0	33	-1.0	-53.67	275.42	1.75	-51.92
CON=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637375	1	33	-1.0	-53.68	275.48	1.75	-51.93
CC1=NC=CN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637376	0	39	-1.0	-59.35	315.65	5.04	-54.31
CC1=NC=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637376	1	39	-1.0	-59.38	315.71	5.04	-54.34
C=CC(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637377	0	37	-1.0	-42.27	288.00	1.41	-40.86
C=CC(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637377	1	37	-1.0	-42.25	288.07	1.43	-40.82
CN(C)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637378	1	41	-1.0	-43.33	309.48	2.11	-41.22
CN(C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637378	1	41	-1.0	-43.31	309.55	2.13	-41.18
O=C(C1=NC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637379	0	33	-1.0	-51.73	269.72	2.77	-48.96
O=C(C1=NC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637379	1	33	-1.0	-51.69	269.65	2.77	-48.92
CC(C)C#CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637381	0	37	-1.0	-53.81	304.11	5.27	-48.54
CC(C)C#CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637381	1	37	-1.0	-53.81	304.18	5.27	-48.54
O=CN1CCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637382	0	40	-1.0	-50.12	314.45	3.26	-46.86
O=CN1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637382	1	40	-1.0	-50.13	314.51	3.28	-46.85
O=C(CCC1=NNN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637383	0	38	-1.0	-51.60	309.28	2.08	-49.52
O=C(CCC1=NNN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637383	1	38	-1.0	-51.64	309.34	2.09	-49.55
CC1=CNN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637384	0	36	-1.0	-55.75	288.00	2.92	-52.83
CC1=CNN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637384	1	36	-1.0	-55.75	288.07	2.93	-52.82
O=C(CCC1(O)CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637385	0	43	-1.0	-45.92	331.09	2.88	-43.04
O=C(CCC1(O)CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637385	1	43	-1.0	-45.93	331.16	2.89	-43.04
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC=CCC1	REAL250004637386	0	43	-1.0	-44.47	312.76	5.46	-39.01
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC=CCC1	REAL250004637386	1	43	-1.0	-44.50	312.82	5.48	-39.02
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CS1	REAL250004637387	0	36	-1.0	-53.39	299.16	4.93	-48.46
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CS1	REAL250004637387	1	36	-1.0	-53.38	299.23	4.94	-48.44
O=C(CC1(O)CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637388	0	40	-1.0	-44.40	308.37	3.30	-41.10
O=C(CC1(O)CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637388	1	40	-1.0	-44.39	308.42	3.31	-41.08
O=C(CC1CCC2CC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637389	0	43	-1.0	-43.43	325.00	6.53	-36.90
O=C(CC1CCC2CC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637389	1	43	-1.0	-43.46	325.06	6.54	-36.92
CC[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637390	0	39	-1.0	-44.12	306.09	5.39	-38.73
CC[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637390	1	39	-1.0	-44.10	306.15	5.40	-38.70
O=C(C1CC1(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637391	0	33	-1.0	-46.26	276.51	4.10	-42.16
O=C(C1CC1(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637391	1	33	-1.0	-46.30	276.57	4.11	-42.19
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCC1	REAL250004637392	0	45	-1.0	-44.88	322.67	5.62	-39.26
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637392	1	45	-1.0	-44.89	322.74	5.63	-39.26
CCCCCC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637393	0	45	-1.0	-42.11	345.81	4.01	-38.10
CCCCCC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637393	1	45	-1.0	-42.12	345.87	4.02	-38.10
O=C(CSC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637394	0	33	-1.0	-52.68	290.31	4.11	-48.57
O=C(CSC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637394	1	33	-1.0	-52.67	290.38	4.11	-48.56
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)=C1CCC1	REAL250004637395	0	40	-1.0	-56.08	308.31	5.60	-50.48
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)=C1CCC1	REAL250004637395	1	40	-1.0	-56.11	308.37	5.61	-50.50
CCC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637396	0	41	-1.0	-41.38	327.90	5.02	-36.36
CCC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637396	1	41	-1.0	-41.40	327.96	5.04	-36.36
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637397	0	45	-1.0	-43.99	345.21	6.67	-37.32
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637397	1	45	-1.0	-43.99	345.27	6.69	-37.30
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637398	0	41	-1.0	-43.79	318.89	3.67	-40.12
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637398	1	41	-1.0	-43.78	318.94	3.69	-40.09
CC(C)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637399	0	44	-1.0	-44.00	335.63	6.07	-37.93
CC(C)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637399	1	44	-1.0	-44.01	335.69	6.07	-37.94
CC1=CN=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637400	0	38	-1.0	-51.99	302.79	4.06	-47.93
CC1=CN=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637400	1	38	-1.0	-51.95	302.72	4.06	-47.89
COCC#CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637401	0	35	-1.0	-55.64	295.49	2.92	-52.72
COCC#CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637401	1	35	-1.0	-55.65	295.56	2.92	-52.73
O=C(C1=NSC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637402	0	32	-1.0	-51.99	272.94	3.24	-48.75
O=C(C1=NSC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637402	1	32	-1.0	-51.98	272.88	3.23	-48.75
CCC1CCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637403	0	45	-1.0	-44.40	328.53	6.40	-38.00
CCC1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637403	1	45	-1.0	-44.39	328.58	6.41	-37.98
C#CCOC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637404	0	38	-1.0	-49.44	309.30	4.54	-44.90
C#CCOC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637404	1	38	-1.0	-49.44	309.36	4.55	-44.89
CCC(C)=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637405	0	39	-1.0	-52.12	304.00	5.26	-46.86
CCC(C)=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637405	1	39	-1.0	-52.15	304.06	5.27	-46.88
O=C(C=CC1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637406	0	41	-1.0	-56.94	322.65	3.88	-53.06
O=C(C=CC1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637406	1	41	-1.0	-56.96	322.72	3.88	-53.08
CC1CCCC1(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637407	0	45	-1.0	-43.01	319.51	5.71	-37.30
CC1CCCC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637407	1	45	-1.0	-42.97	319.55	5.73	-37.24
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C(C#N)N1	REAL250004637408	0	38	-1.0	-51.92	316.47	3.98	-47.94
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C(C#N)N1	REAL250004637408	1	38	-1.0	-51.92	316.54	3.99	-47.93
O=C(C=CC1=CNN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637409	0	37	-1.0	-56.26	303.74	3.25	-53.01
O=C(C=CC1=CNN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637409	1	37	-1.0	-56.28	303.68	3.24	-53.04
O=C(C1=CC(=O)NN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637410	0	35	-1.0	-54.48	288.92	0.63	-53.85
O=C(C1=CC(=O)NN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637410	1	35	-1.0	-54.50	288.98	0.64	-53.86
CC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637411	0	37	-1.0	-50.54	295.60	3.74	-46.80
CC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637411	1	37	-1.0	-50.57	295.68	3.74	-46.83
O=C([C@@H]1CNC(=O)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637412	0	35	-1.0	-56.25	283.35	0.08	-56.17
O=C([C@@H]1CNC(=O)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637412	1	35	-1.0	-56.25	283.42	0.10	-56.15
CC1=NN=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL250004637413	0	34	-1.0	-49.33	291.55	2.54	-46.79
CC1=NN=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL250004637413	1	34	-1.0	-49.33	291.62	2.55	-46.78
C=CC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637414	0	39	-1.0	-43.65	292.90	4.30	-39.35
C=CC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637414	1	39	-1.0	-43.63	292.97	4.30	-39.33
O=C(CSC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637415	0	37	-1.0	-55.18	309.20	5.43	-49.75
O=C(CSC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637415	1	37	-1.0	-55.17	309.25	5.43	-49.74
O=C([C@H]1C[C@@H]1C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637416	0	40	-1.0	-44.12	317.24	6.20	-37.92
O=C([C@H]1C[C@@H]1C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637416	1	40	-1.0	-44.14	317.30	6.21	-37.93
CC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004637417	0	39	-1.0	-63.84	316.24	4.17	-59.67
CC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004637417	1	39	-1.0	-63.85	316.30	4.18	-59.67
CNC(=O)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637418	0	41	-1.0	-64.85	329.73	0.20	-64.65
CNC(=O)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637418	1	41	-1.0	-64.87	329.79	0.21	-64.66
CCN1N=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637419	0	38	-1.0	-51.36	308.89	2.77	-48.59
CCN1N=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637419	1	38	-1.0	-51.33	308.83	2.77	-48.56
CCC1CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637420	0	39	-1.0	-43.71	300.87	5.38	-38.33
CCC1CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637420	1	39	-1.0	-43.74	300.94	5.40	-38.34
O=C(CC1=NC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637421	0	36	-1.0	-63.82	292.66	2.94	-60.88
O=C(CC1=NC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637421	1	36	-1.0	-63.86	292.73	2.95	-60.91
C=CC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637422	0	34	-1.0	-53.09	272.43	1.41	-51.68
C=CC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637422	1	34	-1.0	-53.13	272.49	1.41	-51.72
O=C(CCC1=NOC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637423	0	38	-1.0	-53.97	310.48	4.30	-49.67
O=C(CCC1=NOC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637423	1	38	-1.0	-53.94	310.55	4.31	-49.63
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)(F)F	REAL250004637424	0	38	-1.0	-49.79	299.96	4.47	-45.32
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)(F)F	REAL250004637424	1	38	-1.0	-49.79	300.02	4.48	-45.31
CC(O)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCC1	REAL250004637425	0	43	-1.0	-40.11	319.59	2.95	-37.16
CC(O)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637425	1	43	-1.0	-40.09	319.66	2.97	-37.12
CCN1N=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637426	0	38	-1.0	-49.17	303.14	2.36	-46.81
CCN1N=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637426	1	38	-1.0	-49.18	303.08	2.35	-46.83
N#CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637427	0	36	-1.0	-52.37	295.91	4.52	-47.85
N#CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637427	1	36	-1.0	-52.36	295.98	4.52	-47.84
CC1=NC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637428	0	39	-1.0	-54.91	310.37	3.65	-51.26
CC1=NC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637428	1	39	-1.0	-54.91	310.44	3.66	-51.25
CC(F)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637429	0	32	-1.0	-41.56	263.59	3.28	-38.28
CC(F)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637429	1	32	-1.0	-41.60	263.65	3.28	-38.32
O=CC1=CNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637430	0	36	-1.0	-68.13	297.68	3.26	-64.87
O=CC1=CNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637430	1	36	-1.0	-68.15	297.74	3.26	-64.89
C=CCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637431	0	42	-1.0	-44.21	312.45	4.97	-39.24
C=CCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637431	1	42	-1.0	-44.20	312.51	4.98	-39.22
N#CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637432	0	37	-1.0	-53.38	301.54	4.83	-48.55
N#CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637432	1	37	-1.0	-53.38	301.60	4.84	-48.54
CC1=CSC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637433	0	36	-1.0	-54.04	300.39	4.83	-49.21
CC1=CSC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637433	1	36	-1.0	-54.07	300.46	4.83	-49.24
CCCC(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637434	0	42	-1.0	-45.00	324.65	4.63	-40.37
CCCC(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637434	1	42	-1.0	-45.01	324.71	4.65	-40.36
O=C(C1=C(F)C=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637435	0	33	-1.0	-59.60	285.82	4.27	-55.33
O=C(C1=C(F)C=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637435	1	33	-1.0	-59.57	285.88	4.28	-55.29
COCC(C)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637436	0	45	-1.0	-45.73	341.16	3.96	-41.77
COCC(C)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637436	1	45	-1.0	-45.72	341.22	3.98	-41.74
CCC[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637437	0	42	-1.0	-44.06	327.60	6.18	-37.88
CCC[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637437	1	42	-1.0	-44.04	327.66	6.18	-37.86
COC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637438	0	43	-1.0	-44.63	313.20	4.60	-40.03
COC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637438	1	43	-1.0	-44.63	313.26	4.62	-40.01
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)O1	REAL250004637439	0	38	-1.0	-50.94	305.34	2.60	-48.34
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)O1	REAL250004637439	1	38	-1.0	-51.00	305.41	2.60	-48.40
CCC(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637440	0	39	-1.0	-47.49	305.79	2.35	-45.14
CCC(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637440	1	39	-1.0	-47.49	305.86	2.36	-45.13
O=C(CCCC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637441	0	42	-1.0	-44.28	328.23	6.33	-37.95
O=C(CCCC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637441	1	42	-1.0	-44.30	328.29	6.35	-37.95
CC(C)(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637442	0	45	-1.0	-42.44	330.43	6.36	-36.08
CC(C)(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637442	1	45	-1.0	-42.43	330.49	6.36	-36.07
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637443	0	34	-1.0	-39.40	281.88	3.87	-35.53
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637443	1	34	-1.0	-39.42	281.94	3.89	-35.53
CN1N=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637444	0	34	-1.0	-52.54	281.83	1.45	-51.09
CN1N=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637444	1	34	-1.0	-52.52	281.77	1.45	-51.07
O=C(C1=NOC(CO)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637445	0	36	-1.0	-53.20	298.64	0.55	-52.65
O=C(C1=NOC(CO)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637445	1	36	-1.0	-53.20	298.69	0.55	-52.65
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCCCC1	REAL250004637446	0	42	-1.0	-43.19	313.98	5.43	-37.76
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCCCC1	REAL250004637446	1	42	-1.0	-43.21	314.04	5.45	-37.76
N#CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637447	0	36	-1.0	-51.63	305.27	4.53	-47.10
N#CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637447	1	36	-1.0	-51.58	305.22	4.53	-47.05
O=C(C1CCCSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637448	0	40	-1.0	-42.66	314.95	5.35	-37.31
O=C(C1CCCSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637448	1	40	-1.0	-42.64	315.01	5.36	-37.28
CC1CC1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637449	0	39	-1.0	-44.38	305.95	5.43	-38.95
CC1CC1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637449	1	39	-1.0	-44.35	306.01	5.45	-38.90
CN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637450	0	35	-1.0	-51.21	287.68	2.09	-49.12
CN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637450	1	35	-1.0	-51.22	287.62	2.08	-49.14
NC(=O)C1CCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637451	0	40	-1.0	-51.63	309.65	1.01	-50.62
NC(=O)C1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637451	1	40	-1.0	-51.63	309.71	1.03	-50.60
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637452	0	42	-1.0	-44.76	306.57	5.12	-39.64
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637452	1	42	-1.0	-44.76	306.63	5.12	-39.64
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCOC1	REAL250004637453	0	37	-1.0	-43.51	289.09	2.36	-41.15
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCOC1	REAL250004637453	1	37	-1.0	-43.55	289.15	2.38	-41.17
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CCF)CC1	REAL250004637454	0	39	-1.0	-43.91	309.36	5.10	-38.81
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CCF)CC1	REAL250004637454	1	39	-1.0	-43.91	309.42	5.12	-38.79
O=C(CN1C=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637455	0	36	-1.0	-59.21	294.93	5.24	-53.97
O=C(CN1C=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637455	1	36	-1.0	-59.24	294.99	5.24	-54.00
N#CC1=CC=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637456	0	36	-1.0	-61.10	305.44	3.67	-57.43
N#CC1=CC=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637456	1	36	-1.0	-61.11	305.38	3.67	-57.44
CC1=NN=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637457	0	37	-1.0	-61.22	306.19	-0.87	-62.09
CC1=NN=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637457	1	37	-1.0	-61.20	306.25	-0.87	-62.07
CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004637458	0	45	-1.0	-43.01	331.28	6.32	-36.69
CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004637458	1	45	-1.0	-43.03	331.34	6.33	-36.70
N#CCCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637459	0	42	-1.0	-51.26	338.91	6.08	-45.18
N#CCCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637459	1	42	-1.0	-51.30	338.98	6.08	-45.22
CCOC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637460	0	43	-1.0	-46.30	335.19	4.41	-41.89
CCOC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637460	1	43	-1.0	-46.29	335.25	4.43	-41.86
O=C(C1CC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637461	0	34	-1.0	-50.62	277.75	-0.19	-50.81
O=C(C1CC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637461	1	34	-1.0	-50.63	277.81	-0.18	-50.81
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC(=O)N1	REAL250004637462	0	37	-1.0	-49.42	297.67	1.17	-48.25
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC(=O)N1	REAL250004637462	1	37	-1.0	-49.46	297.74	1.18	-48.28
CC1=NN=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637463	0	38	-1.0	-68.98	309.28	3.47	-65.51
CC1=NN=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637463	1	38	-1.0	-68.96	309.35	3.47	-65.49
O=C(C1CCNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637464	0	37	-1.0	-43.14	287.94	0.70	-42.44
O=C(C1CCNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637464	1	37	-1.0	-43.14	288.00	0.70	-42.44
O=C(C=CC1=NC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637466	0	37	-1.0	-54.14	305.33	3.64	-50.50
O=C(C=CC1=NC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637466	1	37	-1.0	-54.16	305.38	3.64	-50.52
CC1CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637467	0	43	-1.0	-53.18	330.33	6.15	-47.03
CC1CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637467	1	43	-1.0	-53.19	330.38	6.16	-47.03
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637468	0	41	-1.0	-47.36	308.65	3.49	-43.87
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637468	1	41	-1.0	-47.35	308.71	3.51	-43.84
CC(C)CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637469	0	47	-1.0	-43.96	357.19	6.83	-37.13
CC(C)CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637469	1	47	-1.0	-43.95	357.25	6.85	-37.10
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCO1	REAL250004637470	0	43	-1.0	-39.53	314.19	4.13	-35.40
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCO1	REAL250004637470	1	43	-1.0	-39.50	314.25	4.14	-35.36
O=C(CC1CC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637471	0	37	-1.0	-48.58	298.44	0.38	-48.20
O=C(CC1CC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637471	1	37	-1.0	-48.60	298.50	0.40	-48.20
O=C(C1CCOC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637472	0	38	-1.0	-52.91	301.37	0.78	-52.13
O=C(C1CCOC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637472	1	38	-1.0	-52.93	301.43	0.79	-52.14
O=C(CCC1=CNN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637473	0	39	-1.0	-54.37	315.43	3.49	-50.88
O=C(CCC1=CNN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637473	1	39	-1.0	-54.36	315.37	3.49	-50.87
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCC1	REAL250004637474	0	42	-1.0	-41.57	319.36	5.69	-35.88
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637474	1	42	-1.0	-41.59	319.42	5.70	-35.89
CCC(C)(C)OCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637475	0	45	-1.0	-57.18	339.76	5.38	-51.80
CCC(C)(C)OCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637475	1	45	-1.0	-57.19	339.82	5.38	-51.81
O=C(C#CC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637476	0	35	-1.0	-53.73	293.79	5.44	-48.29
O=C(C#CC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637476	1	35	-1.0	-54.01	293.84	5.44	-48.57
CC(C)(C)C#CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637477	0	40	-1.0	-53.53	324.25	5.79	-47.74
CC(C)(C)C#CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637477	1	40	-1.0	-53.54	324.32	5.79	-47.75
CC1=NON=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637478	0	37	-1.0	-59.81	305.39	2.71	-57.10
CC1=NON=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637478	1	37	-1.0	-59.87	305.44	2.71	-57.16
CC1=CN(C)N=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637479	0	39	-1.0	-56.69	310.69	4.24	-52.45
CC1=CN(C)N=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637479	1	39	-1.0	-56.66	310.62	4.24	-52.42
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCOC1	REAL250004637480	0	38	-1.0	-41.28	289.67	-0.59	-41.87
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCOC1	REAL250004637480	1	38	-1.0	-41.29	289.73	-0.57	-41.86
O=C(C(O)C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637481	0	40	-1.0	-44.05	303.64	3.20	-40.85
O=C(C(O)C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637481	1	40	-1.0	-44.03	303.70	3.21	-40.82
CCC(CC(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637482	0	47	-1.0	-43.56	349.15	6.32	-37.24
CCC(CC(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637482	1	47	-1.0	-43.54	349.22	6.34	-37.20
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N(C)N=C1	REAL250004637483	0	39	-1.0	-51.36	317.15	3.72	-47.64
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N(C)N=C1	REAL250004637483	1	39	-1.0	-51.28	317.08	3.71	-47.57
COCC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637484	0	45	-1.0	-44.62	338.41	4.32	-40.30
COCC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637484	1	45	-1.0	-44.64	338.48	4.33	-40.31
O=C(C1CCC(F)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637485	0	42	-1.0	-47.55	319.17	5.66	-41.89
O=C(C1CCC(F)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637485	1	42	-1.0	-47.57	319.23	5.67	-41.90
O=C(CC1CC(F)(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637486	0	39	-1.0	-46.43	314.61	5.46	-40.97
O=C(CC1CC(F)(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637486	1	39	-1.0	-46.53	314.67	5.47	-41.06
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637487	0	35	-1.0	-43.56	292.49	4.30	-39.26
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637487	1	35	-1.0	-43.57	292.55	4.32	-39.25
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637488	0	37	-1.0	-51.42	300.46	3.45	-47.97
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637488	1	37	-1.0	-51.43	300.53	3.45	-47.98
COC(CC(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637489	0	45	-1.0	-42.19	340.05	5.45	-36.74
COC(CC(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637489	1	45	-1.0	-42.16	340.11	5.46	-36.70
O=C(C1CCC2CC2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637490	0	43	-1.0	-43.21	322.35	6.28	-36.93
O=C(C1CCC2CC2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637490	1	43	-1.0	-43.21	322.41	6.30	-36.91
O=C(C1CC12CC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637491	0	37	-1.0	-44.36	295.97	5.41	-38.95
O=C(C1CC12CC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637491	1	37	-1.0	-44.32	296.04	5.43	-38.89
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1(F)F	REAL250004637492	0	36	-1.0	-42.68	292.24	4.42	-38.26
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1(F)F	REAL250004637492	1	36	-1.0	-42.70	292.30	4.44	-38.26
C=CC(=O)N(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637493	0	40	-1.0	-59.61	322.99	3.76	-55.85
C=CC(=O)N(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637493	1	40	-1.0	-59.58	323.06	3.76	-55.82
O=C(CC1=NN=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637494	0	35	-1.0	-68.67	287.32	3.63	-65.04
O=C(CC1=NN=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637494	1	35	-1.0	-68.72	287.37	3.63	-65.09
O=C(C(F)=C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637495	0	37	-1.0	-49.20	297.93	5.21	-43.99
O=C(C(F)=C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637495	1	37	-1.0	-49.26	298.00	5.22	-44.04
CC1CCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637496	0	45	-1.0	-43.34	324.23	6.02	-37.32
CC1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637496	1	45	-1.0	-43.41	324.28	6.04	-37.37
NC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004637497	0	37	-1.0	-66.13	304.54	4.59	-61.54
NC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004637497	1	37	-1.0	-66.16	304.48	4.59	-61.57
O=C(C1CCCC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637498	0	42	-1.0	-43.49	319.00	5.65	-37.84
O=C(C1CCCC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637498	1	42	-1.0	-43.47	319.05	5.66	-37.81
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1F	REAL250004637499	0	36	-1.0	-41.60	288.04	4.35	-37.25
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1F	REAL250004637499	1	36	-1.0	-41.62	288.09	4.36	-37.26
C=C(C)C(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637500	0	42	-1.0	-44.71	306.22	5.02	-39.69
C=C(C)C(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637500	1	42	-1.0	-44.73	306.29	5.02	-39.71
CN1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC1=O	REAL250004637501	0	39	-1.0	-52.27	310.56	0.86	-51.41
CN1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC1=O	REAL250004637501	1	39	-1.0	-52.27	310.63	0.85	-51.42
CCC(CC)(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637502	0	45	-1.0	-47.69	322.67	1.60	-46.09
CCC(CC)(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637502	1	45	-1.0	-47.68	322.73	1.62	-46.06
O=C(C1CC2(CCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637503	0	43	-1.0	-43.61	328.68	6.31	-37.30
O=C(C1CC2(CCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637503	1	43	-1.0	-43.60	328.74	6.32	-37.28
CCN1C=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637504	0	39	-1.0	-56.55	313.24	4.43	-52.12
CCN1C=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637504	1	39	-1.0	-56.54	313.18	4.43	-52.11
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CC1	REAL250004637505	0	33	-1.0	-40.57	270.20	3.95	-36.62
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CC1	REAL250004637505	1	33	-1.0	-40.59	270.26	3.96	-36.63
O=C(C=CC1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637506	0	43	-1.0	-53.91	331.89	6.47	-47.44
O=C(C=CC1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637506	1	43	-1.0	-53.91	331.96	6.47	-47.44
COC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637507	0	37	-1.0	-41.76	295.92	2.81	-38.95
COC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637507	1	37	-1.0	-41.78	295.97	2.82	-38.96
O=C(C1CCC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637508	0	38	-1.0	-44.50	296.81	4.01	-40.49
O=C(C1CCC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637508	1	38	-1.0	-44.54	296.87	4.02	-40.52
COCC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637510	0	43	-1.0	-44.17	337.28	4.30	-39.87
COCC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637510	1	43	-1.0	-44.15	337.35	4.32	-39.83
CN1C=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637511	0	39	-1.0	-62.57	316.11	3.97	-58.60
CN1C=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637511	1	39	-1.0	-62.58	316.18	3.97	-58.61
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CF)CCC1	REAL250004637512	0	39	-1.0	-42.94	296.22	4.67	-38.27
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CF)CCC1	REAL250004637512	1	39	-1.0	-42.95	296.28	4.69	-38.26
CC1=NOC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637513	0	35	-1.0	-53.50	288.16	3.44	-50.06
CC1=NOC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637513	1	35	-1.0	-53.55	288.23	3.45	-50.10
O=C(C1CS(=O)(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637514	0	36	-1.0	-50.64	296.16	0.26	-50.38
O=C(C1CS(=O)(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637514	1	36	-1.0	-50.66	296.22	0.26	-50.40
O=C(C1CCCNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637515	0	40	-1.0	-51.43	307.15	1.62	-49.81
O=C(C1CCCNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637515	1	40	-1.0	-51.42	307.21	1.63	-49.79
CN1C(=O)NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637516	0	37	-1.0	-57.46	301.62	1.86	-55.60
CN1C(=O)NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637516	1	37	-1.0	-57.50	301.68	1.87	-55.63
CC=C(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637517	0	33	-1.0	-48.09	271.37	3.81	-44.28
CC=C(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637517	1	33	-1.0	-48.12	271.44	3.81	-44.31
CCC=C(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637518	0	36	-1.0	-47.84	291.67	4.54	-43.30
CCC=C(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637518	1	36	-1.0	-47.83	291.74	4.55	-43.28
O=C(CC1CSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637519	0	37	-1.0	-46.79	301.32	4.90	-41.89
O=C(CC1CSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637519	1	37	-1.0	-46.80	301.38	4.92	-41.88
COC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637520	0	37	-1.0	-50.54	303.57	3.77	-46.77
COC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637520	1	37	-1.0	-50.55	303.64	3.78	-46.77
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC=N1	REAL250004637522	0	36	-1.0	-55.92	289.43	3.82	-52.10
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC=N1	REAL250004637522	1	36	-1.0	-55.91	289.50	3.83	-52.08
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC=N1	REAL250004637523	0	39	-1.0	-55.79	309.80	4.57	-51.22
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC=N1	REAL250004637523	1	39	-1.0	-55.77	309.87	4.57	-51.20
COC(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637524	0	37	-1.0	-55.05	289.73	2.38	-52.67
COC(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637524	1	37	-1.0	-55.07	289.79	2.38	-52.69
N#CCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637525	0	39	-1.0	-47.91	317.48	5.28	-42.63
N#CCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637525	1	39	-1.0	-47.88	317.54	5.30	-42.58
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CF)CC1	REAL250004637526	0	36	-1.0	-41.44	285.78	4.28	-37.16
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CF)CC1	REAL250004637526	1	36	-1.0	-41.46	285.85	4.29	-37.17
O=C(C1=COC(CO)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637527	0	37	-1.0	-58.21	304.22	0.78	-57.43
O=C(C1=COC(CO)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637527	1	37	-1.0	-58.26	304.29	0.79	-57.47
O=C(C1CSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637528	0	34	-1.0	-42.76	278.58	4.06	-38.70
O=C(C1CSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637528	1	34	-1.0	-42.80	278.64	4.08	-38.72
C[C@H]1CC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637529	0	45	-1.0	-40.45	334.26	6.15	-34.30
C[C@H]1CC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637529	1	45	-1.0	-40.49	334.32	6.17	-34.32
CCC(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637530	0	39	-1.0	-47.27	299.14	1.05	-46.22
CCC(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637530	1	39	-1.0	-47.27	299.20	1.06	-46.21
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637531	0	43	-1.0	-44.04	333.27	6.69	-37.35
O=C([C@@H]1C[C@H]1C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637531	1	43	-1.0	-44.05	333.33	6.71	-37.34
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@]12C[C@H]1COC2	REAL250004637532	0	38	-1.0	-42.63	299.79	3.07	-39.56
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@]12C[C@H]1COC2	REAL250004637532	1	38	-1.0	-42.69	299.85	3.07	-39.62
CCC1=NOC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637533	0	38	-1.0	-53.57	309.03	4.19	-49.38
CCC1=NOC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637533	1	38	-1.0	-53.59	309.10	4.19	-49.40
CCC(C#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637534	0	36	-1.0	-41.41	290.63	3.84	-37.57
CCC(C#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637534	1	36	-1.0	-41.39	290.69	3.85	-37.54
CCCC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637535	0	44	-1.0	-44.48	319.40	5.16	-39.32
CCCC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637535	1	44	-1.0	-44.51	319.45	5.17	-39.34
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)(C)C	REAL250004637536	0	45	-1.0	-51.80	337.02	6.17	-45.63
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)(C)C	REAL250004637536	1	45	-1.0	-51.78	337.09	6.17	-45.61
CSC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637537	0	39	-1.0	-42.81	302.10	4.20	-38.61
CSC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637537	1	39	-1.0	-42.82	302.16	4.20	-38.62
CC(C)(O)C(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637538	0	40	-1.0	-45.02	302.76	-0.57	-45.59
CC(C)(O)C(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637538	1	40	-1.0	-45.03	302.82	-0.55	-45.58
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(=O)C1	REAL250004637539	0	38	-1.0	-41.73	296.31	3.74	-37.99
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(=O)C1	REAL250004637539	1	38	-1.0	-41.78	296.36	3.75	-38.03
CCC(O)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637540	0	42	-1.0	-46.50	316.93	3.34	-43.16
CCC(O)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637540	1	42	-1.0	-46.51	316.99	3.35	-43.16
O=C(C1CC2CC2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637541	0	40	-1.0	-41.48	306.93	5.79	-35.69
O=C(C1CC2CC2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637541	1	40	-1.0	-41.48	306.99	5.81	-35.67
CC=CC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637542	0	37	-1.0	-52.78	294.13	2.23	-50.55
CC=CC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637542	1	37	-1.0	-52.79	294.20	2.24	-50.55
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCNC1=O	REAL250004637543	0	40	-1.0	-54.55	303.85	0.71	-53.84
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCNC1=O	REAL250004637543	1	40	-1.0	-54.57	303.92	0.73	-53.84
O=C(C1CCCC2CC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637544	0	43	-1.0	-44.25	321.87	6.24	-38.01
O=C(C1CCCC2CC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637544	1	43	-1.0	-44.23	321.93	6.24	-37.99
O=C(CCC1CC1(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637545	0	39	-1.0	-47.36	318.74	5.70	-41.66
O=C(CCC1CC1(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637545	1	39	-1.0	-47.35	318.80	5.71	-41.64
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC=C1	REAL250004637546	0	39	-1.0	-56.75	315.42	4.99	-51.76
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC=C1	REAL250004637546	1	39	-1.0	-56.77	315.47	5.00	-51.77
CCCCC(C)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637547	0	44	-1.0	-43.07	334.00	5.75	-37.32
CCCCC(C)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637547	1	44	-1.0	-43.06	334.06	5.76	-37.30
CC1(C)CCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637549	0	42	-1.0	-43.64	312.53	5.43	-38.21
CC1(C)CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637549	1	42	-1.0	-43.62	312.59	5.44	-38.18
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637550	0	43	-1.0	-47.78	321.53	5.10	-42.68
CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637550	1	43	-1.0	-47.77	321.59	5.10	-42.67
CC(F)(F)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637551	0	39	-1.0	-40.67	309.52	4.92	-35.75
CC(F)(F)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637551	1	39	-1.0	-40.70	309.58	4.94	-35.76
O=C(COCC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637552	0	36	-1.0	-64.02	301.69	3.88	-60.14
O=C(COCC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637552	1	36	-1.0	-64.04	301.75	3.89	-60.15
COC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637553	0	36	-1.0	-49.65	298.22	0.45	-49.20
COC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637553	1	36	-1.0	-49.63	298.15	0.45	-49.18
CCCC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637554	0	39	-1.0	-53.24	309.13	5.35	-47.89
CCCC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637554	1	39	-1.0	-53.23	309.19	5.35	-47.88
O=C(C1=NC=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637555	0	35	-1.0	-60.17	288.33	4.36	-55.81
O=C(C1=NC=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637555	1	35	-1.0	-60.16	288.27	4.36	-55.80
CC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637556	0	35	-1.0	-51.60	287.36	0.91	-50.69
CC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637556	1	35	-1.0	-51.64	287.43	0.92	-50.72
CC1=COC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637557	0	36	-1.0	-56.79	291.33	4.00	-52.79
CC1=COC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637557	1	36	-1.0	-56.76	291.39	4.01	-52.75
COCC(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637558	0	40	-1.0	-45.64	312.30	2.48	-43.16
COCC(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637558	1	40	-1.0	-45.68	312.37	2.49	-43.19
CN1CCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637559	1	41	-1.0	-42.38	305.15	1.99	-40.39
CN1CCC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637560	1	41	-1.0	-45.70	312.77	2.57	-43.13
C[C@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N(C)C	REAL250004637561	1	40	-1.0	-44.94	303.68	1.92	-43.02
C[C@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N(C)C	REAL250004637561	1	40	-1.0	-44.95	303.74	1.94	-43.01
CCC(C)(C)C(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637562	0	45	-1.0	-42.00	317.65	3.33	-38.67
CCC(C)(C)C(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637562	1	45	-1.0	-41.99	317.72	3.34	-38.65
CCCC(OCC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637564	0	45	-1.0	-46.18	346.54	5.61	-40.57
CCCC(OCC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637564	1	45	-1.0	-46.21	346.60	5.62	-40.59
COC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637565	0	40	-1.0	-43.68	313.22	3.46	-40.22
COC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637565	1	40	-1.0	-43.70	313.27	3.47	-40.23
CCOC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637566	0	43	-1.0	-47.19	331.49	5.57	-41.62
CCOC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637566	1	43	-1.0	-47.18	331.56	5.57	-41.61
CC(CF)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637567	0	35	-1.0	-41.71	277.81	3.80	-37.91
CC(CF)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637567	1	35	-1.0	-41.69	277.87	3.82	-37.87
O=C([C@@H]1COC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637568	0	35	-1.0	-52.38	285.07	-0.27	-52.65
O=C([C@@H]1COC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637568	1	35	-1.0	-52.36	285.13	-0.26	-52.62
O=C(CC1=CSC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637569	0	35	-1.0	-58.84	297.56	3.39	-55.45
O=C(CC1=CSC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637569	1	35	-1.0	-58.83	297.63	3.39	-55.44
CC1=CN=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637570	0	39	-1.0	-59.38	314.99	5.69	-53.69
CC1=CN=CN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637570	1	39	-1.0	-59.38	314.93	5.69	-53.69
CCOC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637571	0	43	-1.0	-41.76	327.94	4.46	-37.30
CCOC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637571	1	43	-1.0	-41.76	328.00	4.47	-37.29
CCC(F)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637572	0	35	-1.0	-46.14	283.50	4.00	-42.14
CCC(F)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637572	1	35	-1.0	-46.20	283.56	4.00	-42.20
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCC1	REAL250004637573	0	43	-1.0	-45.01	328.04	5.25	-39.76
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637573	1	43	-1.0	-44.97	328.11	5.27	-39.70
CCN1C=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637574	0	39	-1.0	-56.15	313.88	6.21	-49.94
CCN1C=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637574	1	39	-1.0	-56.15	313.82	6.21	-49.94
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637575	0	38	-1.0	-44.61	299.46	3.29	-41.32
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637575	1	38	-1.0	-44.62	299.52	3.31	-41.31
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637576	0	40	-1.0	-43.60	304.20	5.66	-37.94
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637576	1	40	-1.0	-43.58	304.26	5.66	-37.92
CC1=NC=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637577	0	37	-1.0	-43.14	303.48	2.10	-41.04
CC1=NC=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637577	1	37	-1.0	-43.13	303.54	2.10	-41.03
C=C1CC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637578	0	40	-1.0	-43.84	306.97	5.13	-38.71
C=C1CC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637578	1	40	-1.0	-43.80	307.04	5.15	-38.65
O=C(C1CC2(CC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637579	0	40	-1.0	-43.78	311.73	5.82	-37.96
O=C(C1CC2(CC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637579	1	40	-1.0	-43.76	311.78	5.82	-37.94
O=C(C1=CC(Cl)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637580	0	32	-1.0	-44.99	282.21	3.12	-41.87
O=C(C1=CC(Cl)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637580	1	32	-1.0	-44.98	282.15	3.11	-41.87
O=C([C@H]1COC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637581	0	35	-1.0	-52.28	284.93	-0.30	-52.58
O=C([C@H]1COC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637581	1	35	-1.0	-52.29	284.99	-0.28	-52.57
CN1C(=O)NCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637582	0	39	-1.0	-51.62	308.37	0.84	-50.78
CN1C(=O)NCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637582	1	39	-1.0	-51.67	308.44	0.84	-50.83
C[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N(C)C	REAL250004637583	1	40	-1.0	-44.66	296.59	1.65	-43.01
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N(C)C	REAL250004637583	1	40	-1.0	-44.68	296.65	1.66	-43.02
CCC(C)(C)C(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637584	0	43	-1.0	-47.35	329.03	4.71	-42.64
CCC(C)(C)C(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637584	1	43	-1.0	-47.40	329.09	4.73	-42.67
O=C([C@H]1C[C@@H](O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637585	0	37	-1.0	-47.61	291.27	1.07	-46.54
O=C([C@H]1C[C@@H](O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637585	1	37	-1.0	-47.62	291.33	1.07	-46.55
CC1=CC=NN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637586	0	39	-1.0	-58.43	315.19	4.02	-54.41
CC1=CC=NN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637586	1	39	-1.0	-58.48	315.26	4.02	-54.46
CC(Cl)=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637587	0	33	-1.0	-54.88	278.89	4.33	-50.55
CC(Cl)=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637587	1	33	-1.0	-54.94	278.95	4.34	-50.60
CC1=C(C)NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637589	0	39	-1.0	-51.39	311.13	3.85	-47.54
CC1=C(C)NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637589	1	39	-1.0	-51.40	311.19	3.85	-47.55
C#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004637590	0	38	-1.0	-54.01	317.17	6.40	-47.61
C#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004637590	1	38	-1.0	-54.07	317.23	6.41	-47.66
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOC1	REAL250004637591	0	38	-1.0	-44.99	300.13	2.17	-42.82
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOC1	REAL250004637591	1	38	-1.0	-44.97	300.19	2.19	-42.78
O=C(CCOC1COC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637592	0	41	-1.0	-51.46	327.43	1.85	-49.61
O=C(CCOC1COC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637592	1	41	-1.0	-51.44	327.49	1.85	-49.59
NC(=O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637593	0	36	-1.0	-51.19	291.75	0.06	-51.13
NC(=O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637593	1	36	-1.0	-51.24	291.81	0.07	-51.17
O=C(C1=CC(=O)NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637594	0	35	-1.0	-62.53	290.48	2.71	-59.82
O=C(C1=CC(=O)NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637594	1	35	-1.0	-62.55	290.54	2.71	-59.84
O=C(CN1CCOC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637595	0	38	-1.0	-65.63	309.32	2.99	-62.64
O=C(CN1CCOC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637595	1	38	-1.0	-65.68	309.38	2.99	-62.69
CCCC=CC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637596	0	43	-1.0	-52.58	334.22	3.68	-48.90
CCCC=CC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637596	1	43	-1.0	-52.61	334.28	3.68	-48.93
CC1=NC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637597	0	38	-1.0	-58.95	311.51	1.82	-57.13
CC1=NC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637597	1	38	-1.0	-58.99	311.57	1.82	-57.17
O=C(CC1=CON=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637598	0	35	-1.0	-56.84	289.13	3.61	-53.23
O=C(CC1=CON=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637598	1	35	-1.0	-56.83	289.07	3.61	-53.22
CC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1C	REAL250004637600	0	39	-1.0	-53.08	306.44	4.07	-49.01
CC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1C	REAL250004637600	1	39	-1.0	-53.09	306.50	4.08	-49.01
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637601	0	37	-1.0	-54.05	301.36	0.56	-53.49
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637601	1	37	-1.0	-54.04	301.42	0.58	-53.46
CCOC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637604	0	45	-1.0	-46.42	339.71	5.29	-41.13
CCOC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637604	1	45	-1.0	-46.48	339.77	5.31	-41.17
CC(C)[C@H](NC=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637605	0	42	-1.0	-43.49	314.52	2.35	-41.14
CC(C)[C@H](NC=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637605	1	42	-1.0	-43.45	314.59	2.36	-41.09
CN(C)C(=O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637606	0	42	-1.0	-51.00	331.46	3.51	-47.49
CN(C)C(=O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637606	1	42	-1.0	-51.03	331.51	3.51	-47.52
CCC(NC(C)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637607	0	42	-1.0	-44.20	322.39	2.06	-42.14
CCC(NC(C)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637607	1	42	-1.0	-44.23	322.45	2.07	-42.16
O=C([C@H]1CCC(=O)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637608	0	36	-1.0	-53.43	288.30	4.40	-49.03
O=C([C@H]1CCC(=O)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637608	1	36	-1.0	-53.45	288.36	4.41	-49.04
CN1C(=O)OCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637609	0	38	-1.0	-51.28	302.97	2.32	-48.96
CN1C(=O)OCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637609	1	38	-1.0	-51.32	303.04	2.33	-48.99
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC1CCCC2	REAL250004637610	0	43	-1.0	-41.87	319.40	5.97	-35.90
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC1CCCC2	REAL250004637610	1	43	-1.0	-41.88	319.46	5.99	-35.89
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C(F)F)CCC1	REAL250004637611	0	39	-1.0	-45.07	303.07	4.82	-40.25
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C(F)F)CCC1	REAL250004637611	1	39	-1.0	-45.10	303.13	4.82	-40.28
CCOC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637612	0	42	-1.0	-44.65	315.63	3.75	-40.90
CCOC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637612	1	42	-1.0	-44.68	315.70	3.75	-40.93
O=C(C1CC(C2CC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637613	0	43	-1.0	-44.34	331.99	6.61	-37.73
O=C(C1CC(C2CC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637613	1	43	-1.0	-44.39	332.05	6.63	-37.76
O=C(CC1=CN=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637614	0	36	-1.0	-58.15	293.45	3.68	-54.47
O=C(CC1=CN=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637614	1	36	-1.0	-58.15	293.51	3.68	-54.47
CC(=C(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637615	0	40	-1.0	-52.71	321.70	5.81	-46.90
CC(=C(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637615	1	40	-1.0	-52.75	321.76	5.82	-46.93
O=C([C@@H]1CCC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637616	0	37	-1.0	-50.11	293.59	0.97	-49.14
O=C([C@@H]1CCC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637616	1	37	-1.0	-50.14	293.66	0.98	-49.16
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCOCC1	REAL250004637617	0	40	-1.0	-41.28	305.27	3.05	-38.23
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCOCC1	REAL250004637617	1	40	-1.0	-41.26	305.33	3.06	-38.20
CC1C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1C1CC1	REAL250004637618	0	43	-1.0	-44.15	334.29	6.74	-37.41
CC1C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1C1CC1	REAL250004637618	1	43	-1.0	-44.17	334.36	6.74	-37.43
O=C(C1CCCC12CC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637619	0	43	-1.0	-43.53	324.85	6.27	-37.26
O=C(C1CCCC12CC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637619	1	43	-1.0	-43.53	324.91	6.28	-37.25
CCC(C#N)(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637620	0	42	-1.0	-46.03	317.54	4.40	-41.63
CCC(C#N)(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637620	1	42	-1.0	-46.03	317.60	4.41	-41.62
O=C(C1=CC=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637621	0	34	-1.0	-51.93	278.86	2.85	-49.08
O=C(C1=CC=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637621	1	34	-1.0	-51.94	278.80	2.84	-49.10
CC1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C)O1	REAL250004637622	0	43	-1.0	-43.73	326.89	3.88	-39.85
CC1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C)O1	REAL250004637622	1	43	-1.0	-43.72	326.96	3.88	-39.84
COCC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637623	0	37	-1.0	-55.71	299.89	2.85	-52.86
COCC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637623	1	37	-1.0	-55.67	299.96	2.85	-52.82
N#CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637624	0	34	-1.0	-54.59	291.78	3.83	-50.76
N#CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637624	1	34	-1.0	-54.57	291.84	3.84	-50.73
NC1=CC=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637625	0	37	-1.0	-41.77	302.55	1.37	-40.40
NC1=CC=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637625	1	37	-1.0	-41.77	302.48	1.36	-40.41
CC1=CON=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637626	0	35	-1.0	-52.46	284.29	3.73	-48.73
CC1=CON=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637626	1	35	-1.0	-52.50	284.23	3.72	-48.78
CC1CC1C1CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637627	0	43	-1.0	-43.98	332.58	6.64	-37.34
CC1CC1C1CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637627	1	43	-1.0	-43.97	332.64	6.64	-37.33
CC1(C#CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637628	0	38	-1.0	-53.63	314.74	5.94	-47.69
CC1(C#CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637628	1	38	-1.0	-53.76	314.80	5.95	-47.81
CN1CCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637629	1	44	-1.0	-44.11	325.24	3.16	-40.95
CN1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637629	1	44	-1.0	-44.11	325.30	3.18	-40.93
CC1(CCCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637630	0	41	-1.0	-49.64	328.78	0.63	-49.01
CC1(CCCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637630	1	41	-1.0	-49.66	328.84	0.64	-49.02
C=CC=CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637631	0	37	-1.0	-53.72	302.23	5.20	-48.52
C=CC=CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637631	1	37	-1.0	-53.72	302.29	5.20	-48.52
CN(C)C(=O)C=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637632	0	40	-1.0	-51.78	322.89	3.28	-48.50
CN(C)C(=O)C=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637632	1	40	-1.0	-51.78	322.96	3.28	-48.50
O=C(CO)NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637633	0	40	-1.0	-69.38	325.64	-0.56	-69.94
O=C(CO)NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637633	1	40	-1.0	-69.40	325.70	-0.56	-69.96
O=C(CC1CCNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637634	0	40	-1.0	-58.13	312.33	2.88	-55.25
O=C(CC1CCNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637634	1	40	-1.0	-58.10	312.38	2.88	-55.22
NC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=N1	REAL250004637635	0	37	-1.0	-53.64	300.07	2.20	-51.44
NC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=N1	REAL250004637635	1	37	-1.0	-53.65	300.00	2.20	-51.45
CCCC(CC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637636	0	44	-1.0	-44.21	325.74	5.50	-38.71
CCCC(CC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637636	1	44	-1.0	-44.23	325.80	5.52	-38.71
O=C(C1C2(CC2)C12CC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637637	0	41	-1.0	-44.34	328.26	6.91	-37.43
O=C(C1C2(CC2)C12CC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637637	1	41	-1.0	-44.36	328.32	6.92	-37.44
O=C(C1CCC=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637638	0	43	-1.0	-44.28	321.98	6.06	-38.22
O=C(C1CCC=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637638	1	43	-1.0	-44.24	322.05	6.07	-38.17
CC1=COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637639	0	36	-1.0	-52.90	292.49	4.12	-48.78
CC1=COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637639	1	36	-1.0	-52.90	292.56	4.13	-48.77
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(F)(F)C1	REAL250004637640	0	39	-1.0	-40.77	303.76	4.75	-36.02
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(F)(F)C1	REAL250004637640	1	39	-1.0	-40.82	303.82	4.76	-36.06
C[C@@]1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC(=O)N1	REAL250004637641	0	40	-1.0	-42.48	306.29	1.85	-40.63
C[C@@]1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC(=O)N1	REAL250004637641	1	40	-1.0	-42.50	306.35	1.86	-40.64
NC1=CC=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637642	0	37	-1.0	-54.69	299.31	2.13	-52.56
NC1=CC=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637642	1	37	-1.0	-54.73	299.38	2.13	-52.60
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637643	0	43	-1.0	-44.53	338.09	7.02	-37.51
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637643	1	43	-1.0	-44.56	338.15	7.04	-37.52
C=CC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637644	0	42	-1.0	-42.49	315.41	5.52	-36.97
C=CC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637644	1	42	-1.0	-42.52	315.48	5.52	-37.00
O=C(COC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637645	0	37	-1.0	-58.28	299.03	4.36	-53.92
O=C(COC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637645	1	37	-1.0	-58.28	299.08	4.37	-53.91
O=C(C1=CC(=O)C=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637646	0	36	-1.0	-55.74	299.21	2.88	-52.86
O=C(C1=CC(=O)C=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637646	1	36	-1.0	-55.76	299.27	2.89	-52.87
O=C(C1=CSN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637647	0	32	-1.0	-52.35	274.72	2.96	-49.39
O=C(C1=CSN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637647	1	32	-1.0	-52.32	274.65	2.95	-49.37
CC1=CN(C)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637648	0	40	-1.0	-40.76	319.21	5.51	-35.25
CC1=CN(C)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637648	1	40	-1.0	-40.80	319.27	5.51	-35.29
O=C(C1=CC=C(F)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637649	0	33	-1.0	-47.05	277.02	3.56	-43.49
O=C(C1=CC=C(F)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637649	1	33	-1.0	-47.10	277.09	3.56	-43.54
CC1COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637650	0	40	-1.0	-47.88	306.94	4.28	-43.60
CC1COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637650	1	40	-1.0	-47.86	307.01	4.30	-43.56
CCN1CCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637651	0	41	-1.0	-46.76	316.47	1.81	-44.95
CCN1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637651	1	41	-1.0	-46.76	316.55	1.81	-44.95
CCC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004637652	0	38	-1.0	-50.39	308.42	4.64	-45.75
CCC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004637652	1	38	-1.0	-50.44	308.48	4.65	-45.79
O=C(CCCCCO)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637654	0	42	-1.0	-47.32	329.48	2.22	-45.10
O=C(CCCCCO)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637654	1	42	-1.0	-47.28	329.55	2.23	-45.05
C=C1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637655	0	43	-1.0	-41.38	326.95	6.05	-35.33
C=C1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637655	1	43	-1.0	-41.38	327.01	6.07	-35.31
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCO1	REAL250004637656	0	43	-1.0	-46.05	325.90	3.93	-42.12
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCO1	REAL250004637656	1	43	-1.0	-46.11	325.96	3.95	-42.16
NC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637657	0	36	-1.0	-60.88	300.77	1.87	-59.01
NC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637657	1	36	-1.0	-60.88	300.71	1.87	-59.01
O=C(C1=CC=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637658	0	32	-1.0	-51.04	273.26	2.80	-48.24
O=C(C1=CC=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637658	1	32	-1.0	-51.07	273.19	2.79	-48.28
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CC2)CCC1	REAL250004637659	0	43	-1.0	-44.23	315.20	6.35	-37.88
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CC2)CCC1	REAL250004637659	1	43	-1.0	-44.24	315.26	6.36	-37.88
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CC2)CC1	REAL250004637660	0	40	-1.0	-44.80	297.44	5.59	-39.21
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CC2)CC1	REAL250004637660	1	40	-1.0	-44.80	297.50	5.59	-39.21
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637661	0	39	-1.0	-49.57	316.66	5.02	-44.55
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637661	1	39	-1.0	-49.58	316.72	5.04	-44.54
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637662	0	43	-1.0	-43.34	323.82	6.09	-37.25
C[C@@H]1CC=CC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637662	1	43	-1.0	-43.34	323.88	6.10	-37.24
C#CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637663	0	35	-1.0	-57.62	304.41	5.12	-52.50
C#CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637663	1	35	-1.0	-57.64	304.47	5.12	-52.52
O=C(C1=NC=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637664	0	34	-1.0	-59.24	281.33	3.06	-56.18
O=C(C1=NC=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637664	1	34	-1.0	-59.18	281.27	3.06	-56.12
O=C(C1C2CCC(=O)C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637665	0	39	-1.0	-43.43	300.98	4.60	-38.83
O=C(C1C2CCC(=O)C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637665	1	39	-1.0	-43.47	301.04	4.62	-38.85
CC1=NOC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637666	0	40	-1.0	-42.08	312.09	3.35	-38.73
CC1=NOC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637666	1	40	-1.0	-42.10	312.15	3.36	-38.74
CCOC1C(C)C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637667	0	43	-1.0	-47.94	332.43	4.76	-43.18
CCOC1C(C)C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637667	1	43	-1.0	-47.90	332.49	4.77	-43.13
O=C(CCN1C=NN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637668	0	37	-1.0	-52.66	305.11	3.38	-49.28
O=C(CCN1C=NN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637668	1	37	-1.0	-52.62	305.05	3.37	-49.25
NC1=CC=NN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637669	0	38	-1.0	-58.30	309.53	2.36	-55.94
NC1=CC=NN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637669	1	38	-1.0	-58.27	309.47	2.35	-55.92
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@]12C[C@H]1CCC2	REAL250004637670	0	40	-1.0	-41.27	308.16	5.58	-35.69
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@]12C[C@H]1CCC2	REAL250004637670	1	40	-1.0	-41.29	308.22	5.59	-35.70
O=C(CC1CC=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637671	0	43	-1.0	-44.22	325.46	6.41	-37.81
O=C(CC1CC=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637671	1	43	-1.0	-44.24	325.53	6.43	-37.81
C=C(CC(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637673	0	42	-1.0	-53.37	322.00	5.66	-47.71
C=C(CC(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637673	1	42	-1.0	-53.35	322.06	5.66	-47.69
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CCC1	REAL250004637674	0	40	-1.0	-44.04	300.03	5.05	-38.99
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CCC1	REAL250004637674	1	40	-1.0	-44.06	300.10	5.07	-38.99
CCCCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637675	0	45	-1.0	-45.34	344.95	6.49	-38.85
CCCCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637675	1	45	-1.0	-45.34	345.01	6.51	-38.83
CCC[C@H](O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637676	0	39	-1.0	-44.26	302.17	2.42	-41.84
CCC[C@H](O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637676	1	39	-1.0	-44.23	302.23	2.42	-41.81
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)CO	REAL250004637677	0	33	-1.0	-49.21	274.12	0.39	-48.82
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)CO	REAL250004637677	1	33	-1.0	-49.25	274.18	0.40	-48.85
CCOC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637678	0	37	-1.0	-51.29	299.58	3.43	-47.86
CCOC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637678	1	37	-1.0	-51.33	299.65	3.44	-47.89
CC1=COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637679	0	35	-1.0	-57.33	287.76	0.77	-56.56
CC1=COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637679	1	35	-1.0	-57.34	287.82	0.77	-56.57
CCC(C)(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637680	0	39	-1.0	-40.21	294.58	1.33	-38.88
CCC(C)(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637680	1	39	-1.0	-40.19	294.64	1.34	-38.85
C=CC(CC)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637681	0	42	-1.0	-43.86	325.16	5.81	-38.05
C=CC(CC)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637681	1	42	-1.0	-43.85	325.23	5.82	-38.03
CCN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637682	0	38	-1.0	-50.90	308.97	2.95	-47.95
CCN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637682	1	38	-1.0	-50.90	308.90	2.95	-47.95
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637683	0	43	-1.0	-43.86	327.21	3.97	-39.89
CC[C@@H]1OCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637683	1	43	-1.0	-43.86	327.27	3.98	-39.88
CN1C(=O)CC[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637685	0	40	-1.0	-50.90	311.86	3.09	-47.81
CN1C(=O)CC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637685	1	40	-1.0	-50.87	311.93	3.10	-47.77
O=C(C1CCCCC1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637686	0	42	-1.0	-47.07	320.15	5.69	-41.38
O=C(C1CCCCC1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637686	1	42	-1.0	-47.08	320.22	5.70	-41.38
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC=CC1	REAL250004637687	0	40	-1.0	-44.63	298.86	5.02	-39.61
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC=CC1	REAL250004637687	1	40	-1.0	-44.63	298.92	5.03	-39.60
CC(C)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)COC1	REAL250004637688	0	43	-1.0	-47.33	312.15	3.03	-44.30
CC(C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)COC1	REAL250004637688	1	43	-1.0	-47.34	312.21	3.05	-44.29
CN1C=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637689	0	38	-1.0	-68.87	310.11	2.74	-66.13
CN1C=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637689	1	38	-1.0	-68.88	310.18	2.75	-66.13
O=C(CC1=CN=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637690	0	37	-1.0	-56.56	303.82	4.22	-52.34
O=C(CC1=CN=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637690	1	37	-1.0	-56.53	303.75	4.22	-52.31
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN=N1	REAL250004637691	0	37	-1.0	-50.14	300.83	2.88	-47.26
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN=N1	REAL250004637691	1	37	-1.0	-50.15	300.89	2.89	-47.26
CC[C@H](C)[C@H](O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637692	0	42	-1.0	-42.29	307.69	2.83	-39.46
CC[C@H](C)[C@H](O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637692	1	42	-1.0	-42.33	307.75	2.85	-39.48
O=C(C=CCO)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637696	0	34	-1.0	-57.28	277.64	0.44	-56.84
O=C(C=CCO)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637696	1	34	-1.0	-57.26	277.70	0.45	-56.81
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004637697	0	37	-1.0	-49.80	300.22	2.91	-46.89
C[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004637697	1	37	-1.0	-49.75	300.16	2.89	-46.86
CNC(=O)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637698	0	39	-1.0	-51.38	313.68	1.55	-49.83
CNC(=O)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637698	1	39	-1.0	-51.39	313.74	1.55	-49.84
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637699	0	41	-1.0	-44.00	315.06	4.02	-39.98
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637699	1	41	-1.0	-44.04	315.12	4.04	-40.00
CC1(C)CC1CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637700	0	45	-1.0	-43.89	346.72	6.70	-37.19
CC1(C)CC1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637700	1	45	-1.0	-43.91	346.79	6.71	-37.20
COC1CCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637701	0	43	-1.0	-44.38	325.56	3.94	-40.44
COC1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637701	1	43	-1.0	-44.39	325.62	3.95	-40.44
O=C(C1CC2CCCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637702	0	43	-1.0	-44.03	322.22	6.18	-37.85
O=C(C1CC2CCCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637702	1	43	-1.0	-44.05	322.28	6.20	-37.85
O=C(C1=CCCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637703	0	41	-1.0	-53.20	316.95	3.80	-49.40
O=C(C1=CCCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637703	1	41	-1.0	-53.20	317.01	3.80	-49.40
O=C(C=CC1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637704	0	39	-1.0	-54.38	317.82	4.95	-49.43
O=C(C=CC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637704	1	39	-1.0	-54.35	317.88	4.96	-49.39
CC1(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637705	0	42	-1.0	-43.91	323.02	5.93	-37.98
CC1(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637705	1	42	-1.0	-43.92	323.09	5.94	-37.98
O=CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004637706	0	35	-1.0	-51.82	294.33	3.06	-48.76
O=CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004637706	1	35	-1.0	-51.79	294.39	3.06	-48.73
NC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637707	0	34	-1.0	-52.34	280.58	-1.71	-54.05
NC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637707	1	34	-1.0	-52.31	280.52	-1.72	-54.03
O=C(C1CCC1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637708	0	36	-1.0	-45.68	286.47	4.55	-41.13
O=C(C1CCC1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637708	1	36	-1.0	-45.68	286.53	4.57	-41.11
CCC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN1	REAL250004637709	0	39	-1.0	-54.63	312.55	4.03	-50.60
CCC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN1	REAL250004637709	1	39	-1.0	-54.64	312.62	4.04	-50.60
O=C(C=CC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637710	0	40	-1.0	-54.78	322.93	6.71	-48.07
O=C(C=CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637710	1	40	-1.0	-54.82	322.98	6.71	-48.11
CC1=NOC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637711	0	38	-1.0	-56.82	310.89	4.19	-52.63
CC1=NOC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637711	1	38	-1.0	-56.84	310.95	4.19	-52.65
COC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637712	0	40	-1.0	-46.24	314.69	3.50	-42.74
COC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637712	1	40	-1.0	-46.26	314.75	3.52	-42.74
CC1=NSC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637713	0	35	-1.0	-50.29	295.81	3.45	-46.84
CC1=NSC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637713	1	35	-1.0	-50.30	295.87	3.45	-46.85
C#CC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637714	0	37	-1.0	-42.99	291.40	4.40	-38.59
C#CC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637714	1	37	-1.0	-43.03	291.46	4.42	-38.61
C=C(CCC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637715	0	39	-1.0	-53.10	299.49	4.71	-48.39
C=C(CCC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637715	1	39	-1.0	-53.08	299.56	4.72	-48.36
C#CC1(O)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637716	0	39	-1.0	-45.99	317.77	2.19	-43.80
C#CC1(O)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637716	1	39	-1.0	-46.00	317.84	2.19	-43.81
O=C([C@@H]1C[C@H]1CF)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637718	0	36	-1.0	-46.34	291.30	4.76	-41.58
O=C([C@@H]1C[C@H]1CF)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637718	1	36	-1.0	-46.36	291.36	4.78	-41.58
CC(C)(CF)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637719	0	38	-1.0	-42.17	288.37	3.99	-38.18
CC(C)(CF)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637719	1	38	-1.0	-42.19	288.42	4.00	-38.19
O=C(C1CC=CCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637721	0	38	-1.0	-46.65	295.93	4.28	-42.37
O=C(C1CC=CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637721	1	38	-1.0	-46.61	295.99	4.28	-42.33
O=C(CC1CC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637722	0	39	-1.0	-44.69	308.00	5.37	-39.32
O=C(CC1CC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637722	1	39	-1.0	-44.72	308.06	5.39	-39.33
O=C(C1CCS1(=O)=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637723	0	36	-1.0	-49.58	297.16	1.53	-48.05
O=C(C1CCS1(=O)=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637723	1	36	-1.0	-49.60	297.22	1.54	-48.06
O=C(CC(O)C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637724	0	40	-1.0	-47.41	316.49	3.08	-44.33
O=C(CC(O)C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637724	1	40	-1.0	-47.39	316.55	3.09	-44.30
C=C(C)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637725	0	42	-1.0	-44.45	330.98	6.01	-38.44
C=C(C)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637725	1	42	-1.0	-44.39	331.05	6.01	-38.38
N#C[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637726	0	34	-1.0	-46.02	284.32	4.37	-41.65
N#C[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637726	1	34	-1.0	-46.02	284.38	4.39	-41.63
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC=CC1	REAL250004637727	0	38	-1.0	-45.07	302.27	4.64	-40.43
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC=CC1	REAL250004637727	1	38	-1.0	-45.06	302.34	4.64	-40.42
O=C(CCC[N+](=O)[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637728	0	37	-1.0	-50.47	304.16	4.41	-46.06
O=C(CCC[N+](=O)[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637728	1	37	-1.0	-50.54	304.23	4.41	-46.13
CC1(C)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637729	0	40	-1.0	-55.16	311.64	5.44	-49.72
CC1(C)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637729	1	40	-1.0	-55.19	311.70	5.44	-49.75
O=C(C1=NNC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637730	0	33	-1.0	-56.26	284.51	2.77	-53.49
O=C(C1=NNC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637730	1	33	-1.0	-56.26	284.57	2.78	-53.48
O=C(C(O)C1(O)CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637731	0	41	-1.0	-42.96	309.17	-0.63	-43.59
O=C(C(O)C1(O)CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637731	1	41	-1.0	-42.93	309.23	-0.62	-43.55
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CO)CCCO1	REAL250004637732	0	41	-1.0	-44.06	307.75	0.78	-43.28
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CO)CCCO1	REAL250004637732	1	41	-1.0	-44.04	307.81	0.79	-43.25
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CO)CCC1	REAL250004637733	0	40	-1.0	-48.39	303.60	1.29	-47.10
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CO)CCC1	REAL250004637733	1	40	-1.0	-48.41	303.66	1.29	-47.12
CC(O)C(F)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637734	0	36	-1.0	-40.40	291.52	2.09	-38.31
CC(O)C(F)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637734	1	36	-1.0	-40.39	291.58	2.09	-38.30
N#C[C@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637735	0	34	-1.0	-55.10	280.26	4.25	-50.85
N#C[C@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637735	1	34	-1.0	-55.09	280.32	4.25	-50.84
C=C(C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637736	0	39	-1.0	-52.28	309.73	5.22	-47.06
C=C(C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637736	1	39	-1.0	-52.27	309.79	5.22	-47.05
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637737	0	44	-1.0	-43.21	318.37	5.41	-37.80
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637737	1	44	-1.0	-43.18	318.43	5.42	-37.76
O=C(CCC1=CON=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637738	0	38	-1.0	-52.53	310.53	4.42	-48.11
O=C(CCC1=CON=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637738	1	38	-1.0	-52.57	310.47	4.42	-48.15
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NN1C	REAL250004637739	0	39	-1.0	-56.89	311.38	4.05	-52.84
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NN1C	REAL250004637739	1	39	-1.0	-56.90	311.44	4.05	-52.85
O=C(C1C2CCOCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637740	0	41	-1.0	-46.42	306.23	5.32	-41.10
O=C(C1C2CCOCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637740	1	41	-1.0	-46.46	306.27	5.34	-41.12
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)CC1CC1	REAL250004637741	0	39	-1.0	-39.44	314.91	5.55	-33.89
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)CC1CC1	REAL250004637741	1	39	-1.0	-39.41	314.97	5.55	-33.86
O=C(C#CC1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637742	0	39	-1.0	-52.88	318.87	4.15	-48.73
O=C(C#CC1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637742	1	39	-1.0	-52.89	318.94	4.16	-48.73
O=C(C1=CC=C(Cl)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637743	0	34	-1.0	-51.02	290.52	3.91	-47.11
O=C(C1=CC=C(Cl)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637743	1	34	-1.0	-51.02	290.59	3.92	-47.10
CC1=C(C)NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637744	0	40	-1.0	-56.62	314.84	4.66	-51.96
CC1=C(C)NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637744	1	40	-1.0	-56.60	314.90	4.66	-51.94
CC1OCCC1(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637745	0	40	-1.0	-41.63	301.05	3.05	-38.58
CC1OCCC1(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637745	1	40	-1.0	-41.67	301.10	3.06	-38.61
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)=C1CC1	REAL250004637746	0	37	-1.0	-39.53	291.56	5.12	-34.41
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)=C1CC1	REAL250004637746	1	37	-1.0	-39.56	291.62	5.13	-34.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)COC1	REAL250004637747	0	35	-1.0	-40.07	279.05	-0.88	-40.95
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)COC1	REAL250004637747	1	35	-1.0	-40.09	279.11	-0.87	-40.96
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC=N1	REAL250004637748	0	38	-1.0	-51.66	305.03	1.52	-50.14
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC=N1	REAL250004637748	1	38	-1.0	-51.63	305.09	1.52	-50.11
O=C(C1=CCCS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637749	0	35	-1.0	-52.78	289.12	4.45	-48.33
O=C(C1=CCCS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637749	1	35	-1.0	-52.85	289.19	4.46	-48.39
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637750	0	42	-1.0	-51.73	321.01	5.76	-45.97
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637750	1	42	-1.0	-51.76	321.07	5.77	-45.99
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=CS1	REAL250004637751	0	35	-1.0	-53.22	291.06	3.85	-49.37
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=CS1	REAL250004637751	1	35	-1.0	-53.20	291.00	3.85	-49.35
CC1(C)CC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637752	0	45	-1.0	-44.78	327.98	5.62	-39.16
CC1(C)CC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637752	1	45	-1.0	-44.77	328.04	5.62	-39.15
CSC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637753	0	42	-1.0	-42.70	325.84	5.37	-37.33
CSC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637753	1	42	-1.0	-42.74	325.91	5.38	-37.36
O=C(C1CC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637754	0	36	-1.0	-45.98	286.47	4.56	-41.42
O=C(C1CC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637754	1	36	-1.0	-46.02	286.53	4.57	-41.45
CCC(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637755	0	35	-1.0	-40.77	280.69	4.00	-36.77
CCC(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637755	1	35	-1.0	-40.83	280.76	4.01	-36.82
N#CC1=CNN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637756	0	34	-1.0	-64.50	289.67	2.71	-61.79
N#CC1=CNN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637756	1	34	-1.0	-64.50	289.74	2.71	-61.79
O=C(C=CC1=COC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637757	0	36	-1.0	-55.16	300.83	1.51	-53.65
O=C(C=CC1=COC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637757	1	36	-1.0	-55.20	300.88	1.52	-53.68
O=C(CCC1=NNC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637758	0	39	-1.0	-54.67	315.38	3.39	-51.28
O=C(CCC1=NNC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637758	1	39	-1.0	-54.68	315.44	3.39	-51.29
CC1CC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637759	0	42	-1.0	-44.59	307.81	5.11	-39.48
CC1CC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637759	1	42	-1.0	-44.61	307.87	5.11	-39.50
CCC1=CNC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637760	0	40	-1.0	-59.91	317.74	4.56	-55.35
CCC1=CNC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637760	1	40	-1.0	-59.95	317.80	4.56	-55.39
C#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004637761	0	41	-1.0	-43.55	315.22	5.67	-37.88
C#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004637761	1	41	-1.0	-43.56	315.28	5.69	-37.87
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(C#N)C1	REAL250004637762	0	40	-1.0	-48.77	312.93	4.96	-43.81
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(C#N)C1	REAL250004637762	1	40	-1.0	-48.76	312.99	4.97	-43.79
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CO)CC1	REAL250004637763	0	37	-1.0	-48.30	293.38	0.92	-47.38
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CO)CC1	REAL250004637763	1	37	-1.0	-48.29	293.44	0.94	-47.35
O=C(CC1(O)CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637764	0	41	-1.0	-46.04	314.07	1.32	-44.72
O=C(CC1(O)CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637764	1	41	-1.0	-46.06	314.13	1.34	-44.72
CN(C)C(=O)C=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637765	0	40	-1.0	-51.78	322.89	3.28	-48.50
CN(C)C(=O)C=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637765	1	40	-1.0	-51.78	322.96	3.28	-48.50
O=C(CC1=CNN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637766	0	36	-1.0	-57.04	294.03	2.70	-54.34
O=C(CC1=CNN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637766	1	36	-1.0	-57.04	293.96	2.69	-54.35
O=C(COC1=NOC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637767	0	36	-1.0	-57.32	300.96	2.25	-55.07
O=C(COC1=NOC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637767	1	36	-1.0	-57.29	300.91	2.25	-55.04
O=C(CC1(CO)CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637768	0	43	-1.0	-43.75	326.56	2.40	-41.35
O=C(CC1(CO)CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637768	1	43	-1.0	-43.71	326.62	2.42	-41.29
CCC(CCOC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637769	0	45	-1.0	-46.65	337.91	3.79	-42.86
CCC(CCOC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637769	1	45	-1.0	-46.66	337.97	3.81	-42.85
O=C(C1=NC=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637770	0	33	-1.0	-51.73	269.72	2.77	-48.96
O=C(C1=NC=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637770	1	33	-1.0	-51.69	269.65	2.77	-48.92
C=C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637771	0	39	-1.0	-53.83	306.60	4.82	-49.01
C=C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637771	1	39	-1.0	-53.86	306.66	4.82	-49.04
CN1N=CC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637772	0	39	-1.0	-58.29	314.34	3.72	-54.57
CN1N=CC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637772	1	39	-1.0	-58.30	314.40	3.73	-54.57
O=C(C1CSC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637773	0	35	-1.0	-51.09	293.79	0.87	-50.22
O=C(C1CSC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637773	1	35	-1.0	-51.05	293.85	0.88	-50.17
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCO1	REAL250004637774	0	38	-1.0	-53.72	293.04	3.58	-50.14
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCO1	REAL250004637774	1	38	-1.0	-53.78	293.10	3.58	-50.20
CCN1C=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637775	0	40	-1.0	-53.70	313.43	5.54	-48.16
CCN1C=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637775	1	40	-1.0	-53.73	313.50	5.55	-48.18
O=C(C(F)=CC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637776	0	37	-1.0	-48.04	301.36	5.35	-42.69
O=C(C(F)=CC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637776	1	37	-1.0	-48.08	301.41	5.35	-42.73
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N(C)C=N1	REAL250004637777	0	39	-1.0	-54.55	316.91	5.03	-49.52
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N(C)C=N1	REAL250004637777	1	39	-1.0	-54.54	316.98	5.04	-49.50
COC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637778	0	37	-1.0	-50.91	301.69	-0.17	-51.08
COC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637778	1	37	-1.0	-50.90	301.76	-0.16	-51.06
CC1CC(=O)NC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637779	0	40	-1.0	-50.47	315.41	1.62	-48.85
CC1CC(=O)NC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637779	1	40	-1.0	-50.45	315.48	1.62	-48.83
O=C(C1CC1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637780	0	33	-1.0	-49.40	269.76	4.00	-45.40
O=C(C1CC1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637780	1	33	-1.0	-49.39	269.82	4.02	-45.37
O=C(CN1N=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637781	0	34	-1.0	-60.06	284.46	2.33	-57.73
O=C(CN1N=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637781	1	34	-1.0	-60.05	284.40	2.33	-57.72
CC(C)=CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637782	0	42	-1.0	-52.58	326.54	5.96	-46.62
CC(C)=CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637782	1	42	-1.0	-52.63	326.60	5.95	-46.68
CC(=O)OCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637783	0	41	-1.0	-47.85	332.09	4.97	-42.88
CC(=O)OCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637783	1	41	-1.0	-47.86	332.15	4.98	-42.88
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC(=O)C1	REAL250004637784	0	41	-1.0	-50.12	309.66	4.21	-45.91
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC(=O)C1	REAL250004637784	1	41	-1.0	-50.13	309.72	4.23	-45.90
CC(=O)CC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637785	0	43	-1.0	-43.18	318.80	4.48	-38.70
CC(=O)CC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637785	1	43	-1.0	-43.17	318.86	4.49	-38.68
CCCC(CC)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637786	0	47	-1.0	-43.40	349.64	6.64	-36.76
CCCC(CC)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637786	1	47	-1.0	-43.37	349.70	6.65	-36.72
O=C(C1C(F)(F)C12CC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637787	0	37	-1.0	-43.09	308.74	5.56	-37.53
O=C(C1C(F)(F)C12CC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637787	1	37	-1.0	-43.10	308.80	5.57	-37.53
O=C(C=CC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637788	0	37	-1.0	-53.88	298.56	5.39	-48.49
O=C(C=CC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637788	1	37	-1.0	-53.83	298.62	5.39	-48.44
O=C(C[C@H]1COC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637789	0	38	-1.0	-50.39	305.03	0.61	-49.78
O=C(C[C@H]1COC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637789	1	38	-1.0	-50.35	305.09	0.63	-49.72
CN1C=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637790	0	36	-1.0	-51.57	287.89	4.47	-47.10
CN1C=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637790	1	36	-1.0	-51.54	287.83	4.46	-47.08
CC(C)NC(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637791	0	39	-1.0	-45.58	310.67	1.50	-44.08
CC(C)NC(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637791	1	39	-1.0	-45.60	310.73	1.50	-44.10
CN1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1F	REAL250004637792	0	36	-1.0	-51.89	298.49	3.52	-48.37
CN1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1F	REAL250004637792	1	36	-1.0	-51.87	298.42	3.51	-48.36
CC1(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1(F)F	REAL250004637793	0	39	-1.0	-41.94	309.89	5.25	-36.69
CC1(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1(F)F	REAL250004637793	1	39	-1.0	-41.94	309.95	5.26	-36.68
O=C(C(F)CC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637794	0	39	-1.0	-44.84	311.78	5.54	-39.30
O=C(C(F)CC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637794	1	39	-1.0	-44.86	311.84	5.54	-39.32
O=C(C1C=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637795	0	37	-1.0	-43.42	285.66	4.81	-38.61
O=C(C1C=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637795	1	37	-1.0	-43.46	285.72	4.82	-38.64
CCC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004637796	0	45	-1.0	-43.28	339.42	6.65	-36.63
CCC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637796	1	45	-1.0	-43.28	339.48	6.66	-36.62
CC(=CC1CC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637797	0	40	-1.0	-53.21	317.80	5.85	-47.36
CC(=CC1CC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637797	1	40	-1.0	-53.26	317.85	5.85	-47.41
O=C(CCOC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637798	0	40	-1.0	-50.97	320.00	4.04	-46.93
O=C(CCOC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637798	1	40	-1.0	-51.00	320.07	4.05	-46.95
CC1(C)OC[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637799	0	41	-1.0	-44.32	319.89	3.43	-40.89
CC1(C)OC[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637799	1	41	-1.0	-44.35	319.95	3.44	-40.91
O=C(C=CC1=CC=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637800	0	38	-1.0	-52.57	315.31	4.99	-47.58
O=C(C=CC1=CC=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637800	1	38	-1.0	-52.59	315.38	4.99	-47.60
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637801	0	38	-1.0	-46.48	311.17	1.33	-45.15
N#C[C@@]1(O)C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637801	1	38	-1.0	-46.50	311.23	1.34	-45.16
C=CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637802	0	40	-1.0	-45.85	315.36	5.53	-40.32
C=CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637802	1	40	-1.0	-45.85	315.42	5.55	-40.30
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(F)CCCOC1	REAL250004637803	0	40	-1.0	-43.28	306.04	3.10	-40.18
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(F)CCCOC1	REAL250004637803	1	40	-1.0	-43.27	306.09	3.12	-40.15
CCCC(O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637804	0	39	-1.0	-44.22	302.21	2.42	-41.80
CCCC(O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637804	1	39	-1.0	-44.23	302.27	2.43	-41.80
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(F)C1	REAL250004637805	0	39	-1.0	-42.43	297.23	4.68	-37.75
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(F)C1	REAL250004637805	1	39	-1.0	-42.42	297.29	4.68	-37.74
CC1CCC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637806	0	45	-1.0	-44.57	325.48	5.65	-38.92
CC1CCC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637806	1	45	-1.0	-44.59	325.53	5.68	-38.91
CCSC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637807	0	39	-1.0	-42.54	314.00	5.01	-37.53
CCSC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637807	1	39	-1.0	-42.57	314.06	5.03	-37.54
O=C(CC1COCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637808	0	41	-1.0	-47.79	318.57	3.17	-44.62
O=C(CC1COCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637808	1	41	-1.0	-47.78	318.63	3.18	-44.60
CCC1(C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637809	0	45	-1.0	-43.43	337.10	6.15	-37.28
CCC1(C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637809	1	45	-1.0	-43.43	337.16	6.16	-37.27
CC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(F)F	REAL250004637810	0	38	-1.0	-44.46	303.26	4.80	-39.66
CC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(F)F	REAL250004637810	1	38	-1.0	-44.45	303.32	4.82	-39.63
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NS1	REAL250004637811	0	35	-1.0	-49.48	295.28	3.58	-45.90
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NS1	REAL250004637811	1	35	-1.0	-49.52	295.34	3.58	-45.94
O=C(C=CC1=CN=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637812	0	38	-1.0	-54.18	315.18	3.33	-50.85
O=C(C=CC1=CN=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637812	1	38	-1.0	-54.17	315.24	3.34	-50.83
COC(=O)C(OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637813	0	39	-1.0	-49.27	314.69	3.64	-45.63
COC(=O)C(OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637813	1	39	-1.0	-49.26	314.75	3.65	-45.61
CCN1C=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637814	0	38	-1.0	-61.06	308.14	5.33	-55.73
CCN1C=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637814	1	38	-1.0	-61.02	308.07	5.33	-55.69
CC(C)CC(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637815	0	41	-1.0	-42.91	317.16	5.24	-37.67
CC(C)CC(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637815	1	41	-1.0	-42.94	317.22	5.25	-37.69
C=C(Cl)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637816	0	36	-1.0	-50.80	305.40	5.09	-45.71
C=C(Cl)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637816	1	36	-1.0	-50.77	305.46	5.10	-45.67
CC(CC1CCC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637817	0	45	-1.0	-43.71	337.63	6.41	-37.30
CC(CC1CCC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637817	1	45	-1.0	-43.72	337.69	6.43	-37.29
O=C(CCCC1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637818	0	45	-1.0	-44.15	344.81	6.85	-37.30
O=C(CCCC1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637818	1	45	-1.0	-44.13	344.87	6.87	-37.26
C=CN1N=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637819	0	37	-1.0	-54.49	299.23	3.96	-50.53
C=CN1N=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637819	1	37	-1.0	-54.52	299.29	3.96	-50.56
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NN1C	REAL250004637820	0	38	-1.0	-62.42	306.61	3.96	-58.46
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NN1C	REAL250004637820	1	38	-1.0	-62.44	306.68	3.97	-58.47
CCC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637821	0	40	-1.0	-55.43	316.86	4.81	-50.62
CCC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637821	1	40	-1.0	-55.43	316.93	4.81	-50.62
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CC1	REAL250004637822	0	34	-1.0	-42.75	270.53	0.96	-41.79
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CC1	REAL250004637822	1	34	-1.0	-42.82	270.58	0.97	-41.85
CN1NC(=O)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637823	0	37	-1.0	-48.85	300.59	1.05	-47.80
CN1NC(=O)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637823	1	37	-1.0	-48.88	300.65	1.05	-47.83
CCC1(C)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637824	0	43	-1.0	-54.71	329.48	6.14	-48.57
CCC1(C)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637824	1	43	-1.0	-54.72	329.54	6.14	-48.58
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637825	0	43	-1.0	-45.35	328.43	2.50	-42.85
O=C(C[C@@H]1CCC[C@H]1O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637825	1	43	-1.0	-45.33	328.49	2.51	-42.82
O=C(C[C@@H]1COC[C@H]1O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637826	0	41	-1.0	-49.00	318.61	-0.06	-49.06
O=C(C[C@@H]1COC[C@H]1O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637826	1	41	-1.0	-48.99	318.67	-0.06	-49.05
O=C(CC1CCC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637827	0	41	-1.0	-50.26	319.64	4.96	-45.30
O=C(CC1CCC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637827	1	41	-1.0	-50.24	319.70	4.98	-45.26
CC1(C)CC(O)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637828	0	43	-1.0	-40.58	321.21	2.04	-38.54
CC1(C)CC(O)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637828	1	43	-1.0	-40.58	321.28	2.05	-38.53
CCC(F)(F)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637829	0	38	-1.0	-50.04	305.37	4.91	-45.13
CCC(F)(F)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637829	1	38	-1.0	-50.00	305.43	4.91	-45.09
O=C(C1CCC2(C1)N=N2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637830	0	39	-1.0	-45.81	306.35	-0.33	-46.14
O=C(C1CCC2(C1)N=N2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637830	1	39	-1.0	-45.81	306.41	-0.32	-46.13
C=CCC(C)(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637831	0	45	-1.0	-43.04	335.97	6.21	-36.83
C=CCC(C)(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637831	1	45	-1.0	-43.02	336.03	6.22	-36.80
CCC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)OC	REAL250004637832	0	42	-1.0	-45.70	321.76	4.75	-40.95
CCC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)OC	REAL250004637832	1	42	-1.0	-45.67	321.82	4.76	-40.91
CC1(C)C(=O)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637833	0	41	-1.0	-43.94	315.95	4.54	-39.40
CC1(C)C(=O)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637833	1	41	-1.0	-43.93	316.01	4.54	-39.39
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637834	0	42	-1.0	-44.01	325.38	5.93	-38.08
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637834	1	42	-1.0	-44.01	325.44	5.95	-38.06
O=C(C1=CNC(Cl)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637835	0	33	-1.0	-50.66	286.35	3.31	-47.35
O=C(C1=CNC(Cl)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637835	1	33	-1.0	-50.64	286.41	3.31	-47.33
CC12CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)(C1)CO2	REAL250004637836	0	41	-1.0	-40.44	313.92	3.37	-37.07
CC12CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)(C1)CO2	REAL250004637836	1	41	-1.0	-40.49	313.98	3.39	-37.10
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC(C1)CO2	REAL250004637837	0	38	-1.0	-40.62	295.36	3.42	-37.20
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC(C1)CO2	REAL250004637837	1	38	-1.0	-40.64	295.42	3.42	-37.22
O=C([C@@H]1CC=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637838	0	40	-1.0	-41.10	306.61	5.55	-35.55
O=C([C@@H]1CC=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637838	1	40	-1.0	-41.13	306.67	5.56	-35.57
O=C(CC1CC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637839	0	38	-1.0	-48.88	304.10	4.37	-44.51
O=C(CC1CC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637839	1	38	-1.0	-48.92	304.16	4.39	-44.53
CN(C)C(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637840	0	36	-1.0	-54.25	292.46	1.78	-52.47
CN(C)C(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637840	1	36	-1.0	-54.27	292.53	1.79	-52.48
COC(=O)C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637841	0	38	-1.0	-51.17	305.90	4.69	-46.48
COC(=O)C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637841	1	38	-1.0	-51.16	305.96	4.70	-46.46
CC(C)C1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637842	0	45	-1.0	-44.12	341.04	6.40	-37.72
CC(C)C1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637842	1	45	-1.0	-44.09	341.10	6.41	-37.68
CC1=CC=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL250004637843	0	37	-1.0	-59.53	303.02	3.68	-55.85
CC1=CC=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL250004637843	1	37	-1.0	-59.56	303.09	3.69	-55.87
CC(C)(CC#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637844	0	39	-1.0	-43.22	300.46	4.09	-39.13
CC(C)(CC#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637844	1	39	-1.0	-43.24	300.52	4.09	-39.15
O=C(C=CC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637845	0	40	-1.0	-54.78	322.93	6.71	-48.07
O=C(C=CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637845	1	40	-1.0	-54.82	322.98	6.71	-48.11
CC1(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637846	0	38	-1.0	-42.01	307.22	-0.14	-42.15
CC1(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637846	1	38	-1.0	-41.99	307.29	-0.13	-42.12
O=C(C1=CN=CC(F)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637847	0	34	-1.0	-47.68	285.44	2.34	-45.34
O=C(C1=CN=CC(F)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637847	1	34	-1.0	-47.67	285.38	2.32	-45.35
CC12CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)(C1)OC2	REAL250004637848	0	41	-1.0	-39.90	317.08	3.97	-35.93
CC12CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)(C1)OC2	REAL250004637848	1	41	-1.0	-39.92	317.14	3.98	-35.94
CC1=CC=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637849	0	38	-1.0	-54.57	305.74	4.91	-49.66
CC1=CC=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637849	1	38	-1.0	-54.65	305.81	4.91	-49.74
CC1(F)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637850	0	39	-1.0	-45.59	306.05	5.08	-40.51
CC1(F)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637850	1	39	-1.0	-45.62	306.12	5.10	-40.52
CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637851	0	36	-1.0	-55.60	298.63	4.60	-51.00
CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637851	1	36	-1.0	-55.60	298.69	4.60	-51.00
CC1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL250004637852	0	40	-1.0	-47.71	307.45	4.38	-43.33
CC1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL250004637852	1	40	-1.0	-47.70	307.51	4.40	-43.30
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC(CO1)C2	REAL250004637853	0	41	-1.0	-40.87	309.39	3.96	-36.91
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC(CO1)C2	REAL250004637853	1	41	-1.0	-40.87	309.46	3.97	-36.90
O=C(C1CC2(CC2F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637854	0	40	-1.0	-45.91	318.97	5.94	-39.97
O=C(C1CC2(CC2F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637854	1	40	-1.0	-45.91	319.04	5.95	-39.96
CC1(C)CC1(C#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637855	0	40	-1.0	-41.46	320.09	5.10	-36.36
CC1(C)CC1(C#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637855	1	40	-1.0	-41.45	320.15	5.10	-36.35
O=C(C[C@@H]1CC=CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637856	0	43	-1.0	-44.26	325.58	6.38	-37.88
O=C(C[C@@H]1CC=CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637856	1	43	-1.0	-44.27	325.64	6.40	-37.87
CCC1=CNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637857	0	40	-1.0	-56.86	316.90	4.97	-51.89
CCC1=CNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637857	1	40	-1.0	-56.87	316.97	4.98	-51.89
O=C(C=CC1CCCO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637858	0	41	-1.0	-55.79	323.16	4.06	-51.73
O=C(C=CC1CCCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637858	1	41	-1.0	-55.83	323.22	4.07	-51.76
CC1=CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637859	0	43	-1.0	-41.04	327.00	6.16	-34.88
CC1=CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637859	1	43	-1.0	-41.02	327.06	6.18	-34.84
CC[C@H](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004637860	0	47	-1.0	-43.31	336.77	6.12	-37.19
CC[C@H](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004637860	1	47	-1.0	-43.35	336.83	6.12	-37.23
O=C(CC12CC(C1)C2)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637861	0	40	-1.0	-44.80	307.34	5.93	-38.87
O=C(CC12CC(C1)C2)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637861	1	40	-1.0	-44.82	307.40	5.94	-38.88
CCC=CC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637862	0	40	-1.0	-53.96	322.85	6.01	-47.95
CCC=CC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637862	1	40	-1.0	-53.99	322.92	6.02	-47.97
O=C(CC1CC=CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637863	0	40	-1.0	-44.72	309.33	5.76	-38.96
O=C(CC1CC=CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637863	1	40	-1.0	-44.72	309.40	5.78	-38.94
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN1	REAL250004637864	0	37	-1.0	-60.31	296.73	3.64	-56.67
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN1	REAL250004637864	1	37	-1.0	-60.30	296.80	3.64	-56.66
O=C(CCCCCF)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637865	0	41	-1.0	-46.17	324.65	5.70	-40.47
O=C(CCCCCF)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637865	1	41	-1.0	-46.15	324.72	5.70	-40.45
O=C(C1CC(=O)CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637866	0	36	-1.0	-47.33	288.81	2.69	-44.64
O=C(C1CC(=O)CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637866	1	36	-1.0	-47.36	288.87	2.70	-44.66
CC1=NN=NN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637867	0	37	-1.0	-62.91	304.05	2.55	-60.36
CC1=NN=NN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637867	1	37	-1.0	-62.94	304.11	2.56	-60.38
CN1N=NC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637868	0	38	-1.0	-60.96	308.47	2.53	-58.43
CN1N=NC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637868	1	38	-1.0	-60.97	308.53	2.54	-58.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004637869	0	37	-1.0	-48.13	296.36	5.14	-42.99
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004637869	1	37	-1.0	-48.14	296.43	5.15	-42.99
O=C(C1=NC=C(F)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637870	0	34	-1.0	-54.30	287.60	3.19	-51.11
O=C(C1=NC=C(F)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637870	1	34	-1.0	-54.29	287.53	3.19	-51.10
CC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004637871	0	37	-1.0	-60.74	306.38	2.19	-58.55
CC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004637871	1	37	-1.0	-60.75	306.45	2.20	-58.55
C#CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637872	0	38	-1.0	-58.18	315.65	6.33	-51.85
C#CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637872	1	38	-1.0	-58.16	315.71	6.33	-51.83
O=C(CC1CC2CC2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637873	0	43	-1.0	-44.47	327.28	6.61	-37.86
O=C(CC1CC2CC2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637873	1	43	-1.0	-44.47	327.35	6.62	-37.85
O=C(C1=CCCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637874	0	38	-1.0	-38.42	298.02	3.04	-35.38
O=C(C1=CCCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637874	1	38	-1.0	-38.46	298.07	3.05	-35.41
CCC1=NON=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637875	0	37	-1.0	-44.32	301.13	3.78	-40.54
CCC1=NON=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637875	1	37	-1.0	-44.30	301.20	3.79	-40.51
O=C(C1=NOC(CF)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637876	0	35	-1.0	-51.55	293.81	4.03	-47.52
O=C(C1=NOC(CF)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637876	1	35	-1.0	-51.56	293.86	4.04	-47.52
C=CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004637877	0	40	-1.0	-44.22	301.78	5.53	-38.69
C=CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637877	1	40	-1.0	-44.21	301.84	5.53	-38.68
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC(C1)OC2	REAL250004637878	0	41	-1.0	-44.00	306.16	3.30	-40.70
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC(C1)OC2	REAL250004637878	1	41	-1.0	-44.03	306.22	3.32	-40.71
CCC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL250004637879	0	38	-1.0	-47.56	308.70	4.14	-43.42
CCC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL250004637879	1	38	-1.0	-47.61	308.77	4.14	-43.47
C[C@@H]1C[C@]2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[C@H]12	REAL250004637880	0	40	-1.0	-44.21	309.49	5.63	-38.58
C[C@@H]1C[C@]2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[C@H]12	REAL250004637880	1	40	-1.0	-44.21	309.55	5.65	-38.56
O=C(C=CC1=CC=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637881	0	39	-1.0	-54.73	317.97	4.96	-49.77
O=C(C=CC1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637881	1	39	-1.0	-54.76	318.02	4.96	-49.80
O=C(C1COC(=O)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637882	0	34	-1.0	-54.36	279.93	3.57	-50.79
O=C(C1COC(=O)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637882	1	34	-1.0	-54.39	279.99	3.57	-50.82
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCOC1	REAL250004637883	0	43	-1.0	-43.60	324.30	3.58	-40.02
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCOC1	REAL250004637883	1	43	-1.0	-43.61	324.36	3.60	-40.01
CO[C@H](C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637884	0	36	-1.0	-47.14	282.78	3.09	-44.05
CO[C@H](C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637884	1	36	-1.0	-47.15	282.84	3.11	-44.04
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637885	0	40	-1.0	-43.52	301.81	5.59	-37.93
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637885	1	40	-1.0	-43.50	301.86	5.60	-37.90
CC1CCOC1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637886	0	43	-1.0	-48.36	324.13	4.58	-43.78
CC1CCOC1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637886	1	43	-1.0	-48.39	324.19	4.60	-43.79
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL250004637887	0	37	-1.0	-55.92	295.41	4.07	-51.85
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL250004637887	1	37	-1.0	-55.91	295.47	4.07	-51.84
CCCOCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637888	0	45	-1.0	-46.48	352.09	4.84	-41.64
CCCOCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637888	1	45	-1.0	-46.45	352.15	4.84	-41.61
CO[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[C@@H]12	REAL250004637889	0	41	-1.0	-48.47	323.16	4.02	-44.45
CO[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[C@@H]12	REAL250004637889	1	41	-1.0	-48.47	323.23	4.04	-44.43
CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCO1	REAL250004637890	0	43	-1.0	-46.75	325.08	5.00	-41.75
CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCO1	REAL250004637890	1	43	-1.0	-46.73	325.14	5.02	-41.71
O=C(CC1CC2(CC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637891	0	43	-1.0	-44.70	333.73	6.68	-38.02
O=C(CC1CC2(CC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637891	1	43	-1.0	-44.66	333.79	6.69	-37.97
CCC(C)CC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637892	0	47	-1.0	-43.75	346.21	6.26	-37.49
CCC(C)CC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637892	1	47	-1.0	-43.78	346.27	6.28	-37.50
O=C([C@H]1CC1(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637893	0	33	-1.0	-43.26	276.30	4.10	-39.16
O=C([C@H]1CC1(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637893	1	33	-1.0	-43.31	276.36	4.12	-39.19
C[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[C@@H]12	REAL250004637894	0	40	-1.0	-44.57	311.16	5.67	-38.90
C[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[C@@H]12	REAL250004637894	1	40	-1.0	-44.61	311.22	5.69	-38.92
O=C([C@@H]1CCC(=O)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637895	0	36	-1.0	-53.26	288.69	4.32	-48.94
O=C([C@@H]1CCC(=O)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637895	1	36	-1.0	-53.27	288.75	4.33	-48.94
O=C(C(F)C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637896	0	39	-1.0	-42.51	302.61	5.22	-37.29
O=C(C(F)C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637896	1	39	-1.0	-42.53	302.67	5.23	-37.30
O=C(C(F)C1CCOC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637897	0	40	-1.0	-46.61	310.59	3.28	-43.33
O=C(C(F)C1CCOC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637897	1	40	-1.0	-46.61	310.65	3.29	-43.32
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC(C1)OC2	REAL250004637898	0	38	-1.0	-42.76	291.41	2.73	-40.03
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC(C1)OC2	REAL250004637898	1	38	-1.0	-42.78	291.48	2.74	-40.04
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637899	0	38	-1.0	-42.53	309.94	1.10	-41.43
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637899	1	38	-1.0	-42.54	310.00	1.11	-41.43
C[C@H]1C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@H]1C	REAL250004637900	0	39	-1.0	-43.35	293.50	5.13	-38.22
C[C@H]1C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@H]1C	REAL250004637900	1	39	-1.0	-43.32	293.57	5.13	-38.19
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637901	0	39	-1.0	-44.14	316.79	5.51	-38.63
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637901	1	39	-1.0	-44.09	316.85	5.52	-38.57
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637902	0	40	-1.0	-45.54	302.13	3.38	-42.16
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637902	1	40	-1.0	-45.54	302.19	3.39	-42.15
O=C([C@@H]1CC1(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637903	0	33	-1.0	-43.26	276.38	4.10	-39.16
O=C([C@@H]1CC1(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637903	1	33	-1.0	-43.28	276.44	4.12	-39.16
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637904	0	36	-1.0	-46.67	290.30	4.94	-41.73
O=C([C@@H]1C[C@@H]1C(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637904	1	36	-1.0	-46.68	290.36	4.94	-41.74
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(=O)C1	REAL250004637905	0	36	-1.0	-41.53	298.33	3.30	-38.23
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(=O)C1	REAL250004637905	1	36	-1.0	-41.59	298.39	3.31	-38.28
CC(C)(C#N)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637906	0	42	-1.0	-50.31	329.58	5.32	-44.99
CC(C)(C#N)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637906	1	42	-1.0	-50.32	329.64	5.33	-44.99
[N-]=[N+]=NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637907	0	31	-1.0	-54.02	263.18	-0.86	-54.88
[N-]=[N+]=NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637907	1	31	-1.0	-54.10	263.24	-0.85	-54.95
[N-]=[N+]=NCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637908	0	34	-1.0	-49.35	284.21	-0.15	-49.50
[N-]=[N+]=NCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637908	1	34	-1.0	-49.38	284.27	-0.15	-49.53
[N-]=[N+]=NCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637909	0	37	-1.0	-46.52	305.20	0.65	-45.87
[N-]=[N+]=NCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637909	1	37	-1.0	-46.51	305.26	0.66	-45.85
CNC(=O)NC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637910	0	41	-1.0	-45.96	325.08	0.15	-45.81
CNC(=O)NC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637910	1	41	-1.0	-45.96	325.14	0.17	-45.79
CNC(=O)N[C@@H](C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637911	0	41	-1.0	-46.24	324.99	0.15	-46.09
CNC(=O)N[C@@H](C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637911	1	41	-1.0	-46.23	325.04	0.17	-46.06
CNC(=O)N[C@H](C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637912	0	41	-1.0	-45.82	325.16	0.14	-45.68
CNC(=O)N[C@H](C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637912	1	41	-1.0	-45.77	325.22	0.16	-45.61
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CCCC1	REAL250004637913	0	43	-1.0	-43.49	314.12	5.62	-37.87
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CCCC1	REAL250004637913	1	43	-1.0	-43.48	314.18	5.62	-37.86
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CCC2)CC1	REAL250004637914	0	43	-1.0	-44.65	324.33	6.53	-38.12
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CCC2)CC1	REAL250004637914	1	43	-1.0	-44.66	324.40	6.54	-38.12
CC(C)(F)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637915	0	41	-1.0	-42.92	319.10	5.33	-37.59
CC(C)(F)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637915	1	41	-1.0	-42.89	319.16	5.34	-37.55
O=C(CN1C=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637916	0	35	-1.0	-64.38	289.15	5.02	-59.36
O=C(CN1C=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637916	1	35	-1.0	-64.35	289.08	5.02	-59.33
COCC(C)(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637917	0	43	-1.0	-44.29	330.62	2.11	-42.18
COCC(C)(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637917	1	43	-1.0	-44.35	330.69	2.13	-42.22
CCC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637919	0	40	-1.0	-50.39	316.30	4.60	-45.79
CCC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637919	1	40	-1.0	-50.40	316.37	4.60	-45.80
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SN=C1	REAL250004637920	0	35	-1.0	-50.24	293.75	3.53	-46.71
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SN=C1	REAL250004637920	1	35	-1.0	-50.24	293.71	3.51	-46.73
CC(C)(CCC#N)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637921	0	42	-1.0	-50.89	317.95	4.85	-46.04
CC(C)(CCC#N)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637921	1	42	-1.0	-50.84	318.01	4.86	-45.98
C#CCOCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637922	0	35	-1.0	-59.93	294.46	4.11	-55.82
C#CCOCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637922	1	35	-1.0	-59.92	294.52	4.12	-55.80
C#C[C@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637923	0	35	-1.0	-47.21	286.40	5.09	-42.12
C#C[C@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637923	1	35	-1.0	-47.16	286.46	5.10	-42.06
O=C([C@H]1CC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637924	0	34	-1.0	-51.02	277.08	-0.55	-51.57
O=C([C@H]1CC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637924	1	34	-1.0	-50.99	277.14	-0.53	-51.52
O=C(C1=COC(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637925	0	33	-1.0	-49.51	288.00	3.88	-45.63
O=C(C1=COC(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637925	1	33	-1.0	-49.58	288.07	3.88	-45.70
O=C(C1C2C3CC1CC32)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637926	0	41	-1.0	-44.88	307.15	5.90	-38.98
O=C(C1C2C3CC1CC32)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637926	1	41	-1.0	-44.87	307.21	5.92	-38.95
O=C(C=CC1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637927	0	40	-1.0	-53.82	314.99	5.91	-47.91
O=C(C=CC1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637927	1	40	-1.0	-53.81	315.05	5.92	-47.89
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN1C	REAL250004637928	0	40	-1.0	-57.23	315.54	5.31	-51.92
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN1C	REAL250004637928	1	40	-1.0	-57.24	315.60	5.32	-51.92
O=C(CC1=CN=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637929	0	34	-1.0	-56.56	292.84	2.88	-53.68
O=C(CC1=CN=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637929	1	34	-1.0	-56.52	292.91	2.88	-53.64
CCC1=CNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004637930	0	35	-1.0	-49.14	301.86	1.52	-47.62
CCC1=CNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004637930	1	35	-1.0	-49.12	301.92	1.53	-47.59
CCC1=CNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004637931	0	35	-1.0	-39.36	312.45	1.31	-38.05
CCC1=CNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004637931	1	35	-1.0	-39.33	312.52	1.31	-38.02
CCOC(=O)[C@H](COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004637933	0	38	-1.0	-45.41	328.06	1.49	-43.92
CCOC(=O)[C@H](COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004637933	1	38	-1.0	-45.39	328.12	1.51	-43.88
COC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004637934	0	34	-1.0	-48.65	292.03	-0.08	-48.73
COC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004637934	1	34	-1.0	-48.67	292.09	-0.06	-48.73
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C#N)=C1	REAL250004637935	0	36	-1.0	-50.85	317.41	4.70	-46.15
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C#N)=C1	REAL250004637935	1	36	-1.0	-50.87	317.46	4.72	-46.15
O=C(NCC1CC2CC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004637936	0	39	-1.0	-52.32	319.36	6.83	-45.49
O=C(NCC1CC2CC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004637936	1	39	-1.0	-52.12	319.46	6.83	-45.29
O=C(NCC1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637937	0	36	-1.0	-34.83	305.63	3.69	-31.14
O=C(NCC1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637937	1	36	-1.0	-34.83	305.69	3.70	-31.13
C[C@H]1[C@@H](O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004637941	0	36	-1.0	-49.32	280.16	1.09	-48.23
C[C@H]1[C@@H](O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004637941	1	36	-1.0	-49.28	280.21	1.10	-48.18
C[C@H]1[C@@H](O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637942	0	36	-1.0	-37.93	287.79	1.35	-36.58
C[C@H]1[C@@H](O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637942	1	36	-1.0	-37.88	287.85	1.36	-36.52
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=NN=C2)=C1	REAL250004637943	0	35	-1.0	-52.44	303.96	6.35	-46.09
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=NN=C2)=C1	REAL250004637943	1	35	-1.0	-52.39	303.91	6.33	-46.06
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=C(CCC2)S1	REAL250004637944	0	35	-1.0	-48.05	309.71	2.64	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=C(CCC2)S1	REAL250004637944	1	35	-1.0	-48.08	309.77	2.65	-45.43
CC1=CC=C(N(C(=O)CCCC2=N[N-]N=N2)C2CCC2)C=C1	REAL250004637945	0	42	-1.0	-48.23	324.54	7.10	-41.13
CC1=CC=C(N(C(=O)CCCC2=NN=N[N-]2)C2CCC2)C=C1	REAL250004637945	1	42	-1.0	-48.21	324.60	7.12	-41.09
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CSC[C@@H]2C1	REAL250004637946	0	34	-1.0	-47.76	285.75	4.23	-43.53
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CSC[C@@H]2C1	REAL250004637946	1	34	-1.0	-47.75	285.80	4.25	-43.50
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C(O)C2	REAL250004637947	0	37	-1.0	-50.19	290.95	1.43	-48.76
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C(O)C2	REAL250004637947	1	37	-1.0	-50.19	291.01	1.45	-48.74
CC[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004637948	0	38	-1.0	-50.34	310.39	-0.34	-50.68
CC[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004637948	1	38	-1.0	-50.36	310.45	-0.32	-50.68
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC(C1)S2	REAL250004637949	0	40	-1.0	-48.80	316.54	4.48	-44.32
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC(C1)S2	REAL250004637949	1	40	-1.0	-48.77	316.59	4.49	-44.28
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1C[C@H]1C1CC1	REAL250004637950	0	39	-1.0	-46.62	325.85	5.05	-41.57
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1C[C@H]1C1CC1	REAL250004637950	1	39	-1.0	-46.66	325.90	5.06	-41.60
O=C(NCC[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637951	0	39	-1.0	-34.86	336.45	4.85	-30.01
O=C(NCC[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637951	1	39	-1.0	-34.87	336.52	4.85	-30.02
CC1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004637952	0	39	-1.0	-47.11	310.92	0.57	-46.54
CC1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004637952	1	39	-1.0	-47.13	310.98	0.59	-46.54
CC1=NC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004637953	0	37	-1.0	-52.25	315.12	1.80	-50.45
CC1=NC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004637953	1	37	-1.0	-52.24	315.17	1.82	-50.42
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	REAL250004637954	0	37	-1.0	-51.10	293.77	1.31	-49.79
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	REAL250004637954	1	37	-1.0	-51.16	293.82	1.32	-49.84
O=C(CCCC1=N[N-]N=N1)NCC[C@H]1CCCO1	REAL250004637955	0	36	-1.0	-49.48	297.51	1.50	-47.98
O=C(CCCC1=NN=N[N-]1)NCC[C@H]1CCCO1	REAL250004637955	1	36	-1.0	-49.55	297.57	1.51	-48.04
O=C(NCC[C@H]1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637956	0	36	-1.0	-37.27	308.04	1.38	-35.89
O=C(NCC[C@H]1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637956	1	36	-1.0	-37.22	308.10	1.38	-35.84
COC(=O)CC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004637958	0	38	-1.0	-51.68	321.86	3.34	-48.34
COC(=O)CC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004637958	1	38	-1.0	-51.70	321.92	3.35	-48.35
CC1=CC=C(N(CC2CC2)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004637959	0	42	-1.0	-47.75	349.69	8.23	-39.52
CC1=CC=C(N(CC2CC2)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004637959	1	42	-1.0	-47.77	349.75	8.24	-39.53
CC1CC1C1CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004637960	0	39	-1.0	-46.17	319.81	4.74	-41.43
CC1CC1C1CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004637960	1	39	-1.0	-46.21	319.87	4.75	-41.46
CC1CC1C1CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637961	0	39	-1.0	-34.73	330.40	4.52	-30.21
CC1CC1C1CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637961	1	39	-1.0	-34.65	330.47	4.53	-30.12
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCC2)CO1	REAL250004637962	0	43	-1.0	-46.52	339.85	3.36	-43.16
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCC2)CO1	REAL250004637962	1	43	-1.0	-46.52	339.91	3.38	-43.14
O=C(CCCC1=N[N-]N=N1)NCC12CC1CCCC2	REAL250004637963	0	39	-1.0	-46.14	306.68	4.46	-41.68
O=C(CCCC1=NN=N[N-]1)NCC12CC1CCCC2	REAL250004637963	1	39	-1.0	-46.12	306.74	4.48	-41.64
O=C(NCC12CC1CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637964	0	39	-1.0	-34.62	317.62	4.24	-30.38
O=C(NCC12CC1CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637964	1	39	-1.0	-34.57	317.69	4.24	-30.33
N#CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004637965	0	33	-1.0	-49.52	305.61	3.88	-45.64
N#CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004637965	1	33	-1.0	-49.55	305.66	3.90	-45.65
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=NC=NN2C=C1	REAL250004637966	0	34	-1.0	-58.99	297.52	4.64	-54.35
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=NC=NN2C=C1	REAL250004637966	1	34	-1.0	-58.96	297.58	4.66	-54.30
CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004637967	0	38	-1.0	-52.54	313.01	5.78	-46.76
CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004637967	1	38	-1.0	-52.52	313.06	5.80	-46.72
COC(=O)N1CC(C)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004637968	0	37	-1.0	-50.17	314.73	0.74	-49.43
COC(=O)N1CC(C)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004637968	1	37	-1.0	-50.17	314.79	0.76	-49.41
CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004637969	0	38	-1.0	-52.54	313.01	5.78	-46.76
CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004637969	1	38	-1.0	-52.52	313.06	5.80	-46.72
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004637970	0	34	-1.0	-44.91	286.88	2.02	-42.89
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004637970	1	34	-1.0	-44.92	286.94	2.04	-42.88
CC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC	REAL250004637971	0	34	-1.0	-37.04	297.45	1.81	-35.23
CC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC	REAL250004637971	1	34	-1.0	-37.10	297.52	1.82	-35.28
O=C(CCCC1=N[N-]N=N1)NC[C@]12C[C@H]1COC2	REAL250004637972	0	34	-1.0	-46.48	284.88	1.38	-45.10
O=C(CCCC1=NN=N[N-]1)NC[C@]12C[C@H]1COC2	REAL250004637972	1	34	-1.0	-46.52	284.94	1.40	-45.12
O=C(NC[C@]12C[C@H]1COC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637973	0	34	-1.0	-35.91	295.37	1.19	-34.72
O=C(NC[C@]12C[C@H]1COC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637973	1	34	-1.0	-35.91	295.44	1.19	-34.72
O=C(CCCC1=N[N-]N=N1)NCC1C2(CC2)C12CC2	REAL250004637974	0	37	-1.0	-46.90	315.85	5.00	-41.90
O=C(CCCC1=NN=N[N-]1)NCC1C2(CC2)C12CC2	REAL250004637974	1	37	-1.0	-46.95	315.91	5.01	-41.94
O=C(NCC1C2(CC2)C12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637975	0	37	-1.0	-35.25	326.44	4.78	-30.47
O=C(NCC1C2(CC2)C12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637975	1	37	-1.0	-35.25	326.51	4.79	-30.46
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004637976	0	38	-1.0	-45.74	311.78	4.83	-40.91
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004637976	1	38	-1.0	-45.76	311.84	4.84	-40.92
CC1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004637977	0	38	-1.0	-53.21	308.13	6.16	-47.05
CC1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004637977	1	38	-1.0	-53.00	308.24	6.17	-46.83
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004637978	0	35	-1.0	-34.91	294.64	2.98	-31.93
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004637978	1	35	-1.0	-34.89	294.71	2.98	-31.91
CN(C)C1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004637979	1	39	-1.0	-48.60	325.45	2.04	-46.56
C=CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004637980	0	41	-1.0	-50.61	350.14	4.56	-46.05
C=CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004637980	1	41	-1.0	-50.64	350.20	4.57	-46.07
CSC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004637981	0	42	-1.0	-49.60	335.67	4.64	-44.96
CSC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004637981	1	42	-1.0	-49.61	335.73	4.66	-44.95
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCCO1	REAL250004637982	0	40	-1.0	-49.54	326.83	-0.64	-50.18
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCCO1	REAL250004637982	1	40	-1.0	-49.54	326.89	-0.63	-50.17
O=C(CCCC1=N[N-]N=N1)NC1COC2(CCCC2)C1	REAL250004637983	0	40	-1.0	-47.87	315.65	2.59	-45.28
O=C(CCCC1=NN=N[N-]1)NC1COC2(CCCC2)C1	REAL250004637983	1	40	-1.0	-47.89	315.71	2.61	-45.28
COC(=O)C1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004637984	0	36	-1.0	-52.78	306.12	5.15	-47.63
COC(=O)C1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004637984	1	36	-1.0	-52.80	306.18	5.17	-47.63
O=C(CCCC1=N[N-]N=N1)NC(CCO)C(F)(F)F	REAL250004637985	0	32	-1.0	-47.87	286.92	-0.80	-48.67
O=C(CCCC1=NN=N[N-]1)NC(CCO)C(F)(F)F	REAL250004637985	1	32	-1.0	-47.86	286.98	-0.78	-48.64
CNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004637986	0	40	-1.0	-55.54	320.95	-0.59	-56.13
CNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004637986	1	40	-1.0	-55.57	321.00	-0.58	-56.15
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2CC21	REAL250004637987	0	39	-1.0	-46.40	313.47	4.51	-41.89
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2CC21	REAL250004637987	1	39	-1.0	-46.42	313.52	4.53	-41.89
O=C(NCCC1CCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637988	0	39	-1.0	-34.88	324.06	4.32	-30.56
O=C(NCCC1CCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637988	1	39	-1.0	-34.86	324.13	4.32	-30.54
CN1C=NC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004637989	0	38	-1.0	-52.82	327.47	4.82	-48.00
CN1C=NC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004637989	1	38	-1.0	-52.84	327.53	4.83	-48.01
COC(=O)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004637990	0	40	-1.0	-47.37	322.73	3.21	-44.16
COC(=O)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004637990	1	40	-1.0	-47.41	322.78	3.23	-44.18
O=C(CCCC1=N[N-]N=N1)NCC1=NOC(C(F)F)=C1	REAL250004637991	0	31	-1.0	-48.41	288.79	1.88	-46.53
O=C(CCCC1=NN=N[N-]1)NCC1=NOC(C(F)F)=C1	REAL250004637991	1	31	-1.0	-48.43	288.85	1.90	-46.53
CC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004637992	0	40	-1.0	-46.26	307.53	3.37	-42.89
CC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004637992	1	40	-1.0	-46.32	307.59	3.38	-42.94
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004637993	0	40	-1.0	-34.74	318.12	3.15	-31.59
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004637993	1	40	-1.0	-34.69	318.19	3.16	-31.53
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=C1Cl	REAL250004637994	0	29	-1.0	-46.22	284.50	2.86	-43.36
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=C1Cl	REAL250004637994	1	29	-1.0	-46.19	284.56	2.87	-43.32
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004637995	0	42	-1.0	-44.78	329.82	4.62	-40.16
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004637995	1	42	-1.0	-44.79	329.88	4.63	-40.16
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)C1CCC1	REAL250004637996	0	35	-1.0	-50.65	284.34	4.72	-45.93
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)C1CCC1	REAL250004637996	1	35	-1.0	-50.66	284.40	4.73	-45.93
O=C(CCCC1=N[N-]N=N1)N1CCCN2N=NC=C2C1	REAL250004637997	0	35	-1.0	-55.34	288.33	2.33	-53.01
O=C(CCCC1=NN=N[N-]1)N1CCCN2N=NC=C2C1	REAL250004637997	1	35	-1.0	-55.36	288.39	2.35	-53.01
O=C(CCCC1=N[N-]N=N1)NCCN1CCNC1=O	REAL250004637998	0	35	-1.0	-57.25	299.23	-0.85	-58.10
O=C(CCCC1=NN=N[N-]1)NCCN1CCNC1=O	REAL250004637998	1	35	-1.0	-57.23	299.29	-0.84	-58.07
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004637999	0	43	-1.0	-45.84	342.39	1.45	-44.39
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004637999	1	43	-1.0	-45.86	342.45	1.46	-44.40
CN1CC(CCNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004638000	0	39	-1.0	-55.02	323.65	1.85	-53.17
CN1CC(CCNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004638000	1	39	-1.0	-55.04	323.71	1.87	-53.17
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004638001	0	47	-1.0	-47.11	353.37	5.63	-41.48
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004638001	1	47	-1.0	-47.10	353.43	5.65	-41.45
O=C(CCCC1=N[N-]N=N1)N1CCC(C2OCCO2)C1	REAL250004638002	0	38	-1.0	-49.67	311.86	2.38	-47.29
O=C(CCCC1=NN=N[N-]1)N1CCC(C2OCCO2)C1	REAL250004638002	1	38	-1.0	-49.69	311.91	2.39	-47.30
COC(=O)C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C	REAL250004638003	0	41	-1.0	-55.84	336.43	4.76	-51.08
COC(=O)C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C	REAL250004638003	1	41	-1.0	-55.85	336.49	4.77	-51.08
O=C(N[C@]12C[C@H]1COC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638004	0	34	-1.0	-54.31	286.61	3.44	-50.87
O=C(N[C@]12C[C@H]1COC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638004	1	34	-1.0	-54.28	287.10	3.42	-50.86
O=C(N[C@]12C[C@H]1COC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638005	0	31	-1.0	-35.84	272.89	0.30	-35.54
O=C(N[C@]12C[C@H]1COC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638005	1	31	-1.0	-35.82	272.96	0.31	-35.51
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1CCC[C@H]1O	REAL250004638006	0	36	-1.0	-52.10	287.80	1.00	-51.10
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004638006	1	36	-1.0	-52.09	287.85	1.02	-51.07
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@H]1CCC[C@H]1O	REAL250004638007	0	36	-1.0	-38.82	296.03	1.39	-37.43
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1CCC[C@H]1O	REAL250004638007	1	36	-1.0	-38.76	296.11	1.40	-37.36
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CCC2)CO1	REAL250004638008	0	40	-1.0	-46.91	323.42	2.50	-44.41
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CCC2)CO1	REAL250004638008	1	40	-1.0	-46.95	323.48	2.52	-44.43
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC2=C(F)C=CC=C21	REAL250004638010	0	36	-1.0	-47.40	306.23	4.72	-42.68
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC2=C(F)C=CC=C21	REAL250004638010	1	36	-1.0	-47.43	306.29	4.74	-42.69
NC1=CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N1	REAL250004638011	0	31	-1.0	-37.41	267.81	3.30	-34.11
NC1=CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N1	REAL250004638011	1	31	-1.0	-37.26	267.91	3.31	-33.95
NC1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004638012	0	28	-1.0	-35.60	252.09	0.77	-34.83
NC1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004638012	1	28	-1.0	-35.55	252.16	0.77	-34.78
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1COC[C@H]1O	REAL250004638013	0	34	-1.0	-51.35	277.96	-1.66	-53.01
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1COC[C@H]1O	REAL250004638013	1	34	-1.0	-51.34	278.02	-1.65	-52.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@H]1COC[C@H]1O	REAL250004638014	0	34	-1.0	-37.81	286.97	-1.20	-39.01
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1COC[C@H]1O	REAL250004638014	1	34	-1.0	-37.76	287.03	-1.17	-38.93
O=C(CCCC1=N[N-]N=N1)N1CC[C@@]2(CO)CCC[C@@H]12	REAL250004638015	0	40	-1.0	-47.83	311.66	1.88	-45.95
O=C(CCCC1=NN=N[N-]1)N1CC[C@@]2(CO)CCC[C@@H]12	REAL250004638015	1	40	-1.0	-47.80	311.71	1.90	-45.90
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=C(F)C=CC=C21	REAL250004638016	0	36	-1.0	-47.30	308.44	4.79	-42.51
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=C(F)C=CC=C21	REAL250004638016	1	36	-1.0	-47.27	308.50	4.80	-42.47
O=C(NC1CCC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638017	0	39	-1.0	-53.23	311.66	6.50	-46.73
O=C(NC1CCC=CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638017	1	39	-1.0	-53.03	311.75	6.50	-46.53
O=C(NC1CCC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638018	0	36	-1.0	-35.04	297.95	3.38	-31.66
O=C(NC1CCC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638018	1	36	-1.0	-35.04	298.01	3.38	-31.66
O=C(NCCOC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638019	0	36	-1.0	-53.16	309.37	4.20	-48.96
O=C(NCCOC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638019	1	36	-1.0	-53.01	309.47	4.23	-48.78
O=C(NCCOC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638020	0	33	-1.0	-37.21	295.59	1.09	-36.12
O=C(NCCOC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638020	1	33	-1.0	-37.14	295.65	1.10	-36.04
C[C@@H]1C[C@H](C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638021	0	41	-1.0	-47.11	307.40	5.44	-41.67
C[C@@H]1C[C@H](C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638021	1	41	-1.0	-47.16	307.46	5.46	-41.70
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004638022	0	42	-1.0	-47.93	326.00	2.90	-45.03
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004638022	1	42	-1.0	-47.94	326.06	2.91	-45.03
C#CCC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004638023	0	38	-1.0	-46.00	307.53	2.97	-43.03
C#CCC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004638023	1	38	-1.0	-46.00	307.59	2.99	-43.01
COC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638024	0	38	-1.0	-48.07	317.60	3.30	-44.77
COC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638024	1	38	-1.0	-48.07	317.65	3.31	-44.76
O=C(CCCC1=N[N-]N=N1)NCCC1(C2=CC=CC=C2)CC1	REAL250004638025	0	42	-1.0	-48.68	352.16	6.21	-42.47
O=C(CCCC1=NN=N[N-]1)NCCC1(C2=CC=CC=C2)CC1	REAL250004638025	1	42	-1.0	-48.70	352.21	6.23	-42.47
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638026	0	39	-1.0	-53.50	329.02	7.13	-46.37
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638026	1	39	-1.0	-53.35	329.08	7.15	-46.20
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638027	0	36	-1.0	-35.15	314.83	4.04	-31.11
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638027	1	36	-1.0	-35.15	314.90	4.05	-31.10
O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H]2CC3=CC=CC=C3[C@@H]12	REAL250004638028	0	37	-1.0	-49.28	313.01	5.42	-43.86
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H]2CC3=CC=CC=C3[C@@H]12	REAL250004638028	1	37	-1.0	-49.31	313.07	5.43	-43.88
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H](CO)C1	REAL250004638029	0	42	-1.0	-47.57	332.70	1.19	-46.38
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H](CO)C1	REAL250004638029	1	42	-1.0	-47.59	332.75	1.20	-46.39
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004638030	0	35	-1.0	-56.28	297.71	-0.33	-56.61
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004638030	1	35	-1.0	-56.32	297.77	-0.32	-56.64
C=CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638031	0	40	-1.0	-47.62	316.26	2.38	-45.24
C=CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638031	1	40	-1.0	-47.61	316.31	2.39	-45.22
CC(C)N1C=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638032	0	35	-1.0	-52.62	314.99	4.19	-48.43
CC(C)N1C=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638032	1	35	-1.0	-52.66	314.93	4.17	-48.49
CCN1C=C(Cl)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638033	0	32	-1.0	-53.34	296.33	3.67	-49.67
CCN1C=C(Cl)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638033	1	32	-1.0	-53.29	296.27	3.66	-49.63
CN(CCCF)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638034	0	34	-1.0	-40.25	287.55	6.12	-34.13
CN(CCCF)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638034	1	34	-1.0	-40.09	287.65	6.14	-33.95
CN(CCCF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638035	0	31	-1.0	-37.32	273.04	3.88	-33.44
CN(CCCF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638035	1	31	-1.0	-37.29	273.11	3.91	-33.38
CCC(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004638036	0	44	-1.0	-46.99	341.83	0.64	-46.35
CCC(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004638036	1	44	-1.0	-46.98	341.89	0.65	-46.33
C#CCN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638037	1	39	-1.0	-48.41	323.00	1.92	-46.49
C#CCN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638037	1	39	-1.0	-48.39	323.06	1.93	-46.46
CC(C)(C=CCl)NC(=O)CCCC1=N[N-]N=N1	REAL250004638038	0	32	-1.0	-44.65	278.39	3.09	-41.56
CC(C)(C=CCl)NC(=O)CCCC1=NN=N[N-]1	REAL250004638038	1	32	-1.0	-44.61	278.45	3.11	-41.50
CC(C)(C=CCl)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638039	0	32	-1.0	-34.62	288.98	2.87	-31.75
CC(C)(C=CCl)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638039	1	32	-1.0	-34.56	289.04	2.88	-31.68
COC1CCCN(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638040	0	38	-1.0	-47.57	310.32	1.38	-46.19
COC1CCCN(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638040	1	38	-1.0	-47.62	310.38	1.40	-46.22
CC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004638043	0	31	-1.0	-47.44	279.36	1.97	-45.47
CC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004638043	1	31	-1.0	-47.49	279.42	1.98	-45.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCN1	REAL250004638044	0	29	-1.0	-36.40	254.34	-0.57	-36.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCN1	REAL250004638044	1	29	-1.0	-36.34	254.42	-0.56	-36.90
CC1=NOC(C(C)C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638045	0	37	-1.0	-48.47	311.32	3.55	-44.92
CC1=NOC(C(C)C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638045	1	37	-1.0	-48.47	311.38	3.57	-44.90
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H](O)[C@@H](O)C1	REAL250004638046	0	34	-1.0	-52.83	284.21	-3.00	-55.83
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H](O)[C@@H](O)C1	REAL250004638046	1	34	-1.0	-52.82	284.27	-2.99	-55.81
O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638047	0	34	-1.0	-40.42	293.90	-2.95	-43.37
O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638047	1	34	-1.0	-40.41	293.96	-2.95	-43.36
O=C(CCCC1=N[N-]N=N1)NC1CC[C@@H](O)[C@@H](O)CC1	REAL250004638048	0	40	-1.0	-49.56	311.59	-2.67	-52.23
O=C(CCCC1=NN=N[N-]1)NC1CC[C@@H](O)[C@@H](O)CC1	REAL250004638048	1	40	-1.0	-49.55	311.65	-2.65	-52.20
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H](O)[C@@H](O)C1	REAL250004638049	0	34	-1.0	-52.43	284.11	-3.02	-55.45
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H](O)[C@@H](O)C1	REAL250004638049	1	34	-1.0	-52.45	284.17	-3.01	-55.46
O=C(NC1C[C@@H](O)[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638050	0	34	-1.0	-39.52	293.55	-2.78	-42.30
O=C(NC1C[C@@H](O)[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638050	1	34	-1.0	-39.47	293.61	-2.78	-42.25
CCN(OC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638051	0	32	-1.0	-49.85	273.14	5.27	-44.58
CCN(OC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638051	1	32	-1.0	-49.65	273.24	5.29	-44.36
CON(CC1=CC=C(C)O1)C(=O)CCCC1=N[N-]N=N1	REAL250004638052	0	36	-1.0	-48.11	311.20	4.20	-43.91
CON(CC1=CC=C(C)O1)C(=O)CCCC1=NN=N[N-]1	REAL250004638052	1	36	-1.0	-48.10	311.25	4.22	-43.88
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC(=O)N1	REAL250004638053	0	36	-1.0	-51.48	297.45	0.29	-51.19
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC(=O)N1	REAL250004638053	1	36	-1.0	-51.50	297.50	0.31	-51.19
O=C(CCCC1=N[N-]N=N1)N1CC(F)(C2CC2)C1	REAL250004638054	0	33	-1.0	-49.35	285.10	4.34	-45.01
O=C(CCCC1=NN=N[N-]1)N1CC(F)(C2CC2)C1	REAL250004638054	1	33	-1.0	-49.35	285.15	4.35	-45.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(F)(C2CC2)C1	REAL250004638055	0	33	-1.0	-38.25	290.29	4.05	-34.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(F)(C2CC2)C1	REAL250004638055	1	33	-1.0	-38.22	290.35	4.06	-34.16
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCCC2)N=C1	REAL250004638056	0	39	-1.0	-51.71	318.16	3.77	-47.94
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCCC2)N=C1	REAL250004638056	1	39	-1.0	-51.68	318.10	3.75	-47.93
N#CCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004638057	0	29	-1.0	-52.18	275.34	2.17	-50.01
N#CCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004638057	1	29	-1.0	-52.19	275.40	2.18	-50.01
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004638058	0	40	-1.0	-46.65	306.38	4.02	-42.63
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004638058	1	40	-1.0	-46.68	306.44	4.04	-42.64
CC[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004638059	0	40	-1.0	-34.98	314.75	3.68	-31.30
CC[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004638059	1	40	-1.0	-34.97	314.82	3.69	-31.28
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=N2)CC1	REAL250004638060	0	37	-1.0	-52.57	307.26	1.74	-50.83
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=N2)CC1	REAL250004638060	1	37	-1.0	-52.61	307.31	1.76	-50.85
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NOC=N2)C1	REAL250004638061	0	37	-1.0	-52.94	307.15	1.72	-51.22
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NOC=N2)C1	REAL250004638061	1	37	-1.0	-52.96	307.20	1.74	-51.22
N#CC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638062	0	32	-1.0	-48.57	294.88	2.11	-46.46
N#CC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638062	1	32	-1.0	-48.53	294.82	2.09	-46.44
CC(NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004638063	0	35	-1.0	-48.88	305.05	4.46	-44.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004638063	1	35	-1.0	-48.87	305.10	4.47	-44.40
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCSC1	REAL250004638064	0	37	-1.0	-46.57	308.44	1.75	-44.82
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCSC1	REAL250004638064	1	37	-1.0	-46.55	308.49	1.76	-44.79
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004638065	0	36	-1.0	-49.14	285.35	2.99	-46.15
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004638065	1	36	-1.0	-49.15	285.40	3.00	-46.15
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004638066	0	36	-1.0	-37.72	290.40	3.63	-34.09
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004638066	1	36	-1.0	-37.65	290.47	3.65	-34.00
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=N1	REAL250004638067	0	34	-1.0	-50.23	295.52	0.84	-49.39
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=N1	REAL250004638067	1	34	-1.0	-50.19	295.57	0.85	-49.34
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=N1	REAL250004638068	0	34	-1.0	-43.77	306.11	0.64	-43.13
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=N1	REAL250004638068	1	34	-1.0	-43.69	306.18	0.65	-43.04
O=C(CCCC1=N[N-]N=N1)NCC1=C(O)C=CC=C1F	REAL250004638069	0	33	-1.0	-50.40	294.08	0.70	-49.70
O=C(CCCC1=NN=N[N-]1)NCC1=C(O)C=CC=C1F	REAL250004638069	1	33	-1.0	-50.43	294.13	0.71	-49.72
COC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638070	0	33	-1.0	-53.14	286.39	-0.04	-53.18
COC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638070	1	33	-1.0	-53.14	286.34	-0.06	-53.20
O=C(CCCC1=N[N-]N=N1)N1CC(NC2=CC=CC=C2)C1	REAL250004638071	0	38	-1.0	-47.69	320.80	4.04	-43.65
O=C(CCCC1=NN=N[N-]1)N1CC(NC2=CC=CC=C2)C1	REAL250004638071	1	38	-1.0	-47.71	320.86	4.05	-43.66
CC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004638072	0	35	-1.0	-48.22	301.61	1.44	-46.78
CC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004638072	1	35	-1.0	-48.23	301.66	1.45	-46.78
CC1=NC(C)=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004638073	0	35	-1.0	-38.69	312.20	1.22	-37.47
CC1=NC(C)=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004638073	1	35	-1.0	-38.64	312.27	1.23	-37.41
O=C(CCCC1=N[N-]N=N1)NC(C1=NOC=N1)C1CC1	REAL250004638074	0	34	-1.0	-49.26	295.49	0.06	-49.20
O=C(CCCC1=NN=N[N-]1)NC(C1=NOC=N1)C1CC1	REAL250004638074	1	34	-1.0	-49.30	295.55	0.08	-49.22
CS(C)(=O)=NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004638075	0	35	-1.0	-59.97	308.74	-2.13	-62.10
CS(C)(=O)=NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004638075	1	35	-1.0	-60.00	308.79	-2.11	-62.11
CN1CCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638076	0	37	-1.0	-53.20	305.83	1.91	-51.29
CN1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638076	1	37	-1.0	-53.40	305.74	1.89	-51.51
CN1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638077	0	34	-1.0	-35.92	291.95	-1.21	-37.13
CN1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638077	1	34	-1.0	-35.86	292.02	-1.21	-37.07
CC1(C)CCC(CO)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638078	0	42	-1.0	-45.43	315.56	3.66	-41.77
CC1(C)CCC(CO)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638078	1	42	-1.0	-45.46	315.61	3.67	-41.79
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H](CO)[C@H]1CO	REAL250004638079	0	40	-1.0	-53.30	311.76	-1.96	-55.26
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H](CO)[C@H]1CO	REAL250004638079	1	40	-1.0	-53.30	311.81	-1.94	-55.24
CCS(C)(=O)=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638080	0	33	-1.0	-72.37	294.07	3.43	-68.94
CCS(C)(=O)=NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638080	1	33	-1.0	-72.15	294.05	3.42	-68.73
CCS(C)(=O)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638081	0	30	-1.0	-53.26	278.98	0.12	-53.14
CCS(C)(=O)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638081	1	30	-1.0	-53.32	279.02	0.11	-53.21
CCS(=O)(CC)=NC(=O)CCCC1=N[N-]N=N1	REAL250004638082	0	33	-1.0	-62.26	285.91	1.23	-61.03
CCS(=O)(CC)=NC(=O)CCCC1=NN=N[N-]1	REAL250004638082	1	33	-1.0	-62.30	285.97	1.25	-61.05
CCS(=O)(CC)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638083	0	33	-1.0	-53.27	297.56	0.92	-52.35
CCS(=O)(CC)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638083	1	33	-1.0	-53.30	297.60	0.92	-52.38
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCCC1	REAL250004638084	0	31	-1.0	-62.78	271.74	1.11	-61.67
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCCC1	REAL250004638084	1	31	-1.0	-62.76	271.80	1.12	-61.64
O=C(N=S1(=O)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638085	0	31	-1.0	-53.55	283.40	0.81	-52.74
O=C(N=S1(=O)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638085	1	31	-1.0	-53.56	283.44	0.82	-52.74
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004638086	0	34	-1.0	-58.58	303.31	2.27	-56.31
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004638086	1	34	-1.0	-58.59	303.37	2.29	-56.30
CC(C)(C)S(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004638087	0	36	-1.0	-60.83	305.06	1.70	-59.13
CC(C)(C)S(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004638087	1	36	-1.0	-60.83	305.12	1.72	-59.11
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004638088	0	40	-1.0	-60.36	329.15	3.05	-57.31
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004638088	1	40	-1.0	-60.38	329.20	3.06	-57.32
CC(C)S(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004638089	0	33	-1.0	-61.49	287.91	1.17	-60.32
CC(C)S(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004638089	1	33	-1.0	-61.50	287.97	1.19	-60.31
CC(C)S(C)(=O)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638090	0	33	-1.0	-52.38	296.78	0.80	-51.58
CC(C)S(C)(=O)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638090	1	33	-1.0	-52.33	296.83	0.79	-51.54
O=C(CCCC1=N[N-]N=N1)NC(C1=NC=CC=N1)C1CC1	REAL250004638091	0	37	-1.0	-49.73	315.01	2.88	-46.85
O=C(CCCC1=NN=N[N-]1)NC(C1=NC=CC=N1)C1CC1	REAL250004638091	1	37	-1.0	-49.73	315.06	2.90	-46.83
CC1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638092	0	36	-1.0	-49.33	285.02	2.83	-46.50
CC1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638092	1	36	-1.0	-49.34	285.07	2.84	-46.50
CC1COCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638093	0	36	-1.0	-37.68	287.78	3.47	-34.21
CC1COCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638093	1	36	-1.0	-37.65	287.83	3.47	-34.18
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004638094	0	32	-1.0	-49.88	288.45	4.47	-45.41
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004638094	1	32	-1.0	-49.90	288.51	4.48	-45.42
CCN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004638095	0	39	-1.0	-58.17	317.54	2.31	-55.86
CCN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004638095	1	39	-1.0	-58.20	317.60	2.33	-55.87
CC1COCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638096	0	36	-1.0	-53.32	294.43	3.89	-49.43
CC1COCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638096	1	36	-1.0	-53.11	294.53	3.90	-49.21
CC1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638097	0	33	-1.0	-35.34	284.93	0.43	-34.91
CC1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638097	1	33	-1.0	-35.35	285.00	0.43	-34.92
COC(C)(C)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638098	0	38	-1.0	-45.65	300.63	1.72	-43.93
COC(C)(C)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638098	1	38	-1.0	-45.65	300.69	1.73	-43.92
COC(C)(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638099	0	38	-1.0	-35.89	311.44	1.49	-34.40
COC(C)(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638099	1	38	-1.0	-35.84	311.51	1.51	-34.33
O=C(CCCC1=N[N-]N=N1)N1C2CCC1(CO)CC2	REAL250004638100	0	37	-1.0	-48.44	295.91	1.42	-47.02
O=C(CCCC1=NN=N[N-]1)N1C2CCC1(CO)CC2	REAL250004638100	1	37	-1.0	-48.46	295.96	1.44	-47.02
COC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638101	0	35	-1.0	-54.72	294.72	4.28	-50.44
COC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638101	1	35	-1.0	-54.71	294.77	4.30	-50.41
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=N1)C1CC1	REAL250004638102	0	38	-1.0	-46.12	318.62	3.91	-42.21
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=N1)C1CC1	REAL250004638102	1	38	-1.0	-46.17	318.67	3.93	-42.24
CC(C)OC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004638103	0	43	-1.0	-45.94	341.00	1.46	-44.48
CC(C)OC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004638103	1	43	-1.0	-45.99	341.05	1.47	-44.52
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC12CCC2	REAL250004638104	0	39	-1.0	-55.84	304.41	7.10	-48.74
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC12CCC2	REAL250004638104	1	39	-1.0	-55.64	304.52	7.11	-48.53
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC12CCC2	REAL250004638105	0	36	-1.0	-37.05	290.80	4.88	-32.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC12CCC2	REAL250004638105	1	36	-1.0	-37.00	290.87	4.89	-32.11
CC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004638106	0	37	-1.0	-47.45	308.27	3.43	-44.02
CC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004638106	1	37	-1.0	-47.49	308.32	3.45	-44.04
C#CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL250004638107	0	36	-1.0	-39.04	300.31	6.86	-32.18
C#CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL250004638107	1	36	-1.0	-38.86	300.52	6.86	-32.00
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004638108	0	33	-1.0	-36.53	285.43	5.05	-31.48
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004638108	1	33	-1.0	-36.48	285.50	5.05	-31.43
CS(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004638109	0	33	-1.0	-56.53	294.93	-0.18	-56.71
CS(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004638109	1	33	-1.0	-56.57	294.98	-0.17	-56.74
CS(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638110	0	33	-1.0	-45.77	305.52	-0.39	-46.16
CS(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638110	1	33	-1.0	-45.74	305.59	-0.38	-46.12
CC(C)(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004638111	0	40	-1.0	-53.11	325.84	5.35	-47.76
CC(C)(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004638111	1	40	-1.0	-53.09	325.78	5.33	-47.76
COC(=O)[C@@H]1CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004638112	0	35	-1.0	-48.56	296.31	3.26	-45.30
COC(=O)[C@@H]1CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004638112	1	35	-1.0	-48.57	296.37	3.28	-45.29
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004638113	0	37	-1.0	-50.18	315.83	3.21	-46.97
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004638113	1	37	-1.0	-50.21	315.89	3.23	-46.98
COC(=O)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004638114	0	37	-1.0	-44.75	301.65	2.65	-42.10
COC(=O)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004638114	1	37	-1.0	-44.74	301.70	2.66	-42.08
COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004638115	0	39	-1.0	-52.74	315.84	5.65	-47.09
COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004638115	1	39	-1.0	-52.76	315.90	5.67	-47.09
C#CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004638116	0	37	-1.0	-53.74	313.82	6.70	-47.04
C#CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004638116	1	37	-1.0	-53.49	313.91	6.71	-46.78
C#CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004638117	0	34	-1.0	-36.67	300.07	3.59	-33.08
C#CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004638117	1	34	-1.0	-36.65	300.13	3.59	-33.06
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638118	0	39	-1.0	-52.38	318.37	6.87	-45.51
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638118	1	39	-1.0	-52.16	318.45	6.88	-45.28
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638119	0	36	-1.0	-34.71	304.20	3.79	-30.92
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638119	1	36	-1.0	-34.70	304.27	3.79	-30.91
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004638120	0	41	-1.0	-50.88	325.99	4.88	-46.00
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004638120	1	41	-1.0	-50.91	326.05	4.90	-46.01
O=C(CCCC1=N[N-]N=N1)NCC1CCC=CCC1	REAL250004638121	0	39	-1.0	-46.42	307.23	4.38	-42.04
O=C(CCCC1=NN=N[N-]1)NCC1CCC=CCC1	REAL250004638121	1	39	-1.0	-46.39	307.28	4.39	-42.00
O=C(NCC1CCC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638122	0	39	-1.0	-34.86	318.01	4.15	-30.71
O=C(NCC1CCC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638122	1	39	-1.0	-34.89	318.08	4.17	-30.72
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]2C[C@H]21	REAL250004638123	0	39	-1.0	-48.25	327.72	3.88	-44.37
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]2C[C@H]21	REAL250004638123	1	39	-1.0	-48.25	327.78	3.90	-44.35
CC1=NC(C(N)=O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638124	0	35	-1.0	-51.75	302.76	-0.79	-52.54
CC1=NC(C(N)=O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638124	1	35	-1.0	-51.78	302.81	-0.77	-52.55
COCC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638125	0	37	-1.0	-46.12	295.37	0.96	-45.16
COCC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638125	1	37	-1.0	-46.13	295.42	0.97	-45.16
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC1CC1	REAL250004638126	0	40	-1.0	-46.53	312.11	3.98	-42.55
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC1CC1	REAL250004638126	1	40	-1.0	-46.56	312.17	3.99	-42.57
O=C(NC1CSC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638127	0	30	-1.0	-52.82	270.20	4.28	-48.54
O=C(NC1CSC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638127	1	30	-1.0	-52.62	270.30	4.31	-48.31
O=C(NC1CSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638128	0	27	-1.0	-35.13	256.43	1.18	-33.95
O=C(NC1CSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638128	1	27	-1.0	-35.09	256.50	1.19	-33.90
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638129	0	36	-1.0	-54.70	302.49	2.15	-52.55
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638129	1	36	-1.0	-54.90	302.96	2.13	-52.77
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638130	0	33	-1.0	-38.01	288.73	-0.96	-38.97
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638130	1	33	-1.0	-37.98	288.80	-0.96	-38.94
CC1=CC=C(NCCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004638131	0	39	-1.0	-50.39	330.45	2.14	-48.25
CC1=CC=C(NCCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004638131	1	39	-1.0	-50.36	330.50	2.15	-48.21
CC1=CC=CC(NCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638132	0	39	-1.0	-50.74	330.60	2.11	-48.63
CC1=CC=CC(NCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638132	1	39	-1.0	-50.83	330.66	2.13	-48.70
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2(CCC2)O1	REAL250004638133	0	43	-1.0	-50.30	345.24	3.59	-46.71
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2(CCC2)O1	REAL250004638133	1	43	-1.0	-50.30	345.29	3.60	-46.70
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C2)C1	REAL250004638134	0	39	-1.0	-46.63	289.08	5.53	-41.10
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C2)C1	REAL250004638134	1	39	-1.0	-46.65	289.13	5.54	-41.11
O=C(NC1CC2CCC(C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638135	0	39	-1.0	-36.06	299.67	5.33	-30.73
O=C(NC1CC2CCC(C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638135	1	39	-1.0	-36.06	299.74	5.33	-30.73
O=C(CCCC1=N[N-]N=N1)NC1CC2C=CC1CC2	REAL250004638136	0	37	-1.0	-46.10	293.65	4.09	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CC2C=CC1CC2	REAL250004638136	1	37	-1.0	-46.12	293.71	4.11	-42.01
O=C(NC1CC2C=CC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638137	0	37	-1.0	-34.94	302.08	3.94	-31.00
O=C(NC1CC2C=CC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638137	1	37	-1.0	-34.92	302.15	3.95	-30.97
COCCN(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638138	0	43	-1.0	-49.68	349.60	2.97	-46.71
COCCN(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638138	1	43	-1.0	-49.69	349.66	2.98	-46.71
O=C(CCCC1=N[N-]N=N1)NCCOC1CCOCC1	REAL250004638139	0	40	-1.0	-48.64	327.72	0.80	-47.84
O=C(CCCC1=NN=N[N-]1)NCCOC1CCOCC1	REAL250004638139	1	40	-1.0	-48.66	327.78	0.81	-47.85
CC[C@@H]1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638140	0	39	-1.0	-59.80	302.69	1.41	-58.39
CC[C@@H]1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638140	1	39	-1.0	-59.84	302.75	1.42	-58.42
CC[C@H]1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638141	0	39	-1.0	-59.87	302.65	1.40	-58.47
CC[C@H]1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638141	1	39	-1.0	-59.84	302.70	1.41	-58.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NOC=C2)C=C1	REAL250004638142	0	35	-1.0	-50.59	307.71	4.33	-46.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NOC=C2)C=C1	REAL250004638142	1	35	-1.0	-50.60	307.65	4.32	-46.28
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004638143	0	35	-1.0	-46.66	305.81	4.19	-42.47
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004638143	1	35	-1.0	-46.72	305.86	4.20	-42.52
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004638144	0	35	-1.0	-46.73	311.33	6.44	-40.29
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004638144	1	35	-1.0	-46.78	311.38	6.45	-40.33
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=CC=C1)C1CC1	REAL250004638145	0	42	-1.0	-48.52	342.59	7.67	-40.85
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=CC=C1)C1CC1	REAL250004638145	1	42	-1.0	-48.53	342.65	7.68	-40.85
O=C(NC1CC2C=CC1O2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638146	0	35	-1.0	-52.06	294.93	3.95	-48.11
O=C(NC1CC2C=CC1O2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638146	1	35	-1.0	-51.87	295.03	3.95	-47.92
O=C(NC1CC2C=CC1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638147	0	32	-1.0	-36.79	281.20	0.82	-35.97
O=C(NC1CC2C=CC1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638147	1	32	-1.0	-36.80	281.28	0.82	-35.98
O=C(CCCC1=N[N-]N=N1)NCCOC1CCOC1	REAL250004638148	0	37	-1.0	-48.25	310.05	-0.02	-48.27
O=C(CCCC1=NN=N[N-]1)NCCOC1CCOC1	REAL250004638148	1	37	-1.0	-48.24	310.11	0.00	-48.24
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=C1COCC2	REAL250004638149	0	36	-1.0	-48.59	308.39	1.16	-47.43
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=C1COCC2	REAL250004638149	1	36	-1.0	-48.58	308.45	1.17	-47.41
CCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004638150	0	35	-1.0	-50.85	301.87	1.52	-49.33
CCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004638150	1	35	-1.0	-50.86	301.92	1.53	-49.33
CCC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CN1	REAL250004638151	0	35	-1.0	-40.49	312.46	1.31	-39.18
CCC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CN1	REAL250004638151	1	35	-1.0	-40.46	312.53	1.31	-39.15
CC(=O)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004638152	0	34	-1.0	-57.90	291.17	5.13	-52.77
CC(=O)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004638152	1	34	-1.0	-59.19	290.69	5.12	-54.07
CC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638153	0	31	-1.0	-39.37	279.24	2.52	-36.85
CC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638153	1	31	-1.0	-39.30	279.30	2.53	-36.77
CC1=C2C=CN=C2NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638154	0	35	-1.0	-57.05	297.93	3.31	-53.74
CC1=C2C=CN=C2NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638154	1	35	-1.0	-57.06	297.99	3.32	-53.74
CC1=C2C=CNC2=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638154	1	35	-1.0	-54.10	297.15	3.45	-50.65
CN1N=CC=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638155	0	39	-1.0	-53.15	313.63	3.91	-49.24
CN1N=CC=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638155	1	39	-1.0	-53.19	313.69	3.93	-49.26
CN(C)C(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638157	0	42	-1.0	-54.97	328.86	3.49	-51.48
CN(C)C(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638157	1	42	-1.0	-55.04	328.91	3.50	-51.54
O=C(CCCC1=NN=N[N-]1)NC1(C2=NOC=N2)CCCC1	REAL250004638158	0	37	-1.0	-51.56	304.93	0.80	-50.76
O=C(CCCC1=N[N-]N=N1)NC1(C2=NOC=N2)CCCC1	REAL250004638158	1	37	-1.0	-51.54	304.87	0.79	-50.75
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NOC=N1	REAL250004638160	0	33	-1.0	-53.17	289.04	-0.50	-53.67
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NOC=N1	REAL250004638160	1	33	-1.0	-53.18	289.09	-0.48	-53.66
CCC1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004638161	0	38	-1.0	-52.94	322.29	3.45	-49.49
CCC1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004638161	1	38	-1.0	-52.97	322.35	3.46	-49.51
CCOCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004638162	0	39	-1.0	-49.57	330.11	0.75	-48.82
CCOCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004638162	1	39	-1.0	-49.54	330.16	0.76	-48.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCC2	REAL250004638163	0	37	-1.0	-49.32	314.83	3.30	-46.02
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCC2	REAL250004638163	1	37	-1.0	-49.30	314.89	3.32	-45.98
O=C(CCCC1=N[N-]N=N1)N1CC(OC(F)(F)F)C1	REAL250004638164	0	30	-1.0	-46.30	279.31	1.63	-44.67
O=C(CCCC1=NN=N[N-]1)N1CC(OC(F)(F)F)C1	REAL250004638164	1	30	-1.0	-46.34	279.36	1.64	-44.70
O=C(CCCC1=N[N-]N=N1)NC1CC(O)C12CCOCC2	REAL250004638165	0	41	-1.0	-50.83	323.57	-0.70	-51.53
O=C(CCCC1=NN=N[N-]1)NC1CC(O)C12CCOCC2	REAL250004638165	1	41	-1.0	-50.82	323.62	-0.69	-51.51
O=C(N[C@]12C[C@H]1CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638166	0	36	-1.0	-53.43	295.74	5.91	-47.52
O=C(N[C@]12C[C@H]1CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638166	1	36	-1.0	-53.44	296.22	5.90	-47.54
O=C(N[C@]12C[C@H]1CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638167	0	33	-1.0	-35.62	281.98	2.79	-32.83
O=C(N[C@]12C[C@H]1CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638167	1	33	-1.0	-35.62	282.05	2.80	-32.82
CC1=CC(F)=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004638169	0	35	-1.0	-48.57	311.11	4.20	-44.37
CC1=CC(F)=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004638169	1	35	-1.0	-48.58	311.17	4.21	-44.37
CC(C)CC1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638170	1	46	-1.0	-44.26	341.37	3.56	-40.70
CC(C)CC1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638170	1	46	-1.0	-44.28	341.43	3.58	-40.70
CCN1C=NC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004638171	0	39	-1.0	-49.40	318.60	5.82	-43.58
CCN1C=NC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004638171	1	39	-1.0	-49.41	318.66	5.84	-43.57
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCCO2)CC1	REAL250004638172	0	40	-1.0	-46.55	313.88	3.03	-43.52
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCCO2)CC1	REAL250004638172	1	40	-1.0	-46.55	313.94	3.04	-43.51
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NOC=C2)=C1	REAL250004638173	0	35	-1.0	-60.02	307.82	4.33	-55.69
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NOC=C2)=C1	REAL250004638173	1	35	-1.0	-60.02	307.76	4.32	-55.70
COCC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004638174	0	41	-1.0	-45.94	322.12	2.58	-43.36
COCC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004638174	1	41	-1.0	-45.91	322.18	2.59	-43.32
O=C(CCCC1=N[N-]N=N1)N1CC(C(F)F)C2(CC2)C1	REAL250004638175	0	36	-1.0	-49.00	300.54	4.81	-44.19
O=C(CCCC1=NN=N[N-]1)N1CC(C(F)F)C2(CC2)C1	REAL250004638175	1	36	-1.0	-49.03	300.60	4.83	-44.20
C#CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004638176	0	40	-1.0	-46.11	315.81	5.42	-40.69
C#CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004638176	1	40	-1.0	-46.13	315.86	5.45	-40.68
CCC1=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=NO1	REAL250004638177	0	37	-1.0	-46.14	317.70	3.03	-43.11
CCC1=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=NO1	REAL250004638177	1	37	-1.0	-46.18	317.76	3.05	-43.13
O=C(CCCC1=N[N-]N=N1)N[C@]12C[C@H]1COC21CCC1	REAL250004638178	0	38	-1.0	-46.25	304.10	2.63	-43.62
O=C(CCCC1=NN=N[N-]1)N[C@]12C[C@H]1COC21CCC1	REAL250004638178	1	38	-1.0	-46.27	304.16	2.65	-43.62
C#CCCCC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004638179	0	34	-1.0	-49.03	305.28	2.00	-47.03
C#CCCCC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004638179	1	34	-1.0	-49.03	305.34	2.02	-47.01
CN(CC1=CC=CC(=O)N1)C(=O)CCCC1=N[N-]N=N1	REAL250004638181	0	35	-1.0	-51.30	298.02	2.44	-48.86
CN(CC1=CC=CC(=O)N1)C(=O)CCCC1=NN=N[N-]1	REAL250004638181	1	35	-1.0	-51.30	298.07	2.46	-48.84
CN1N=C(C2CC2)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638182	0	39	-1.0	-47.02	331.42	3.11	-43.91
CN1N=C(C2CC2)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638182	1	39	-1.0	-47.08	331.47	3.13	-43.95
CN1N=CC=C1C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004638183	0	36	-1.0	-50.89	309.79	-1.39	-52.28
CN1N=CC=C1C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004638183	1	36	-1.0	-50.92	309.85	-1.37	-52.29
O=C(CCCC1=N[N-]N=N1)NN1N=NC2=C1CCCC2	REAL250004638184	0	35	-1.0	-59.12	293.49	2.24	-56.88
O=C(CCCC1=NN=N[N-]1)NN1N=NC2=C1CCCC2	REAL250004638184	1	35	-1.0	-59.09	293.54	2.25	-56.84
C#CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004638185	0	34	-1.0	-51.96	299.89	6.10	-45.86
C#CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004638185	1	34	-1.0	-51.72	300.38	6.06	-45.66
C#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004638186	0	31	-1.0	-36.28	286.16	2.96	-33.32
C#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004638186	1	31	-1.0	-36.26	286.23	2.96	-33.30
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCSC1	REAL250004638187	0	33	-1.0	-52.83	279.54	5.84	-46.99
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCSC1	REAL250004638187	1	33	-1.0	-52.67	279.62	5.86	-46.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCSC1	REAL250004638188	0	30	-1.0	-36.25	265.48	3.60	-32.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCSC1	REAL250004638188	1	30	-1.0	-36.22	265.55	3.60	-32.62
CC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638189	0	40	-1.0	-52.60	325.35	3.63	-48.97
CC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638189	1	40	-1.0	-52.59	325.40	3.65	-48.94
CN(CCC1=NOC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004638190	0	33	-1.0	-52.83	288.27	1.06	-51.77
CN(CCC1=NOC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004638190	1	33	-1.0	-52.81	288.32	1.08	-51.73
CN1C=NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004638191	0	35	-1.0	-52.61	301.73	4.70	-47.91
CN1C=NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004638191	1	35	-1.0	-52.63	301.78	4.72	-47.91
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CN=CC=N2)C1	REAL250004638192	0	37	-1.0	-51.99	309.48	2.60	-49.39
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CN=CC=N2)C1	REAL250004638192	1	37	-1.0	-52.04	309.54	2.61	-49.43
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CC=N2)C1	REAL250004638193	0	37	-1.0	-51.88	312.33	3.80	-48.08
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CC=N2)C1	REAL250004638193	1	37	-1.0	-51.90	312.39	3.81	-48.09
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NS1	REAL250004638194	0	31	-1.0	-50.48	285.39	2.07	-48.41
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NS1	REAL250004638194	1	31	-1.0	-50.49	285.45	2.08	-48.41
O=C(CCCC1=N[N-]N=N1)NC1CC(Cl)(Cl)C1	REAL250004638196	0	29	-1.0	-46.84	279.69	2.95	-43.89
O=C(CCCC1=NN=N[N-]1)NC1CC(Cl)(Cl)C1	REAL250004638196	1	29	-1.0	-46.91	279.74	2.97	-43.94
O=C(CCCC1=N[N-]N=N1)NCC1=C(O)C=CC=C1O	REAL250004638197	0	34	-1.0	-49.90	298.45	-2.11	-52.01
O=C(CCCC1=NN=N[N-]1)NCC1=C(O)C=CC=C1O	REAL250004638197	1	34	-1.0	-49.90	298.51	-2.10	-52.00
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=N2)C1	REAL250004638198	0	38	-1.0	-49.66	314.71	4.47	-45.19
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=N2)C1	REAL250004638198	1	38	-1.0	-49.68	314.76	4.49	-45.19
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=C(CCCC2)N1	REAL250004638199	0	39	-1.0	-48.89	322.04	2.52	-46.37
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=C(CCCC2)N1	REAL250004638199	1	39	-1.0	-48.94	322.09	2.54	-46.40
O=C(CCCC1=N[N-]N=N1)NCC1=C2CCCCN2N=C1	REAL250004638200	0	39	-1.0	-48.59	323.20	2.88	-45.71
O=C(CCCC1=NN=N[N-]1)NCC1=C2CCCCN2N=C1	REAL250004638200	1	39	-1.0	-48.62	323.26	2.89	-45.73
COC1=CN(C)N=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638201	0	39	-1.0	-51.14	333.76	1.26	-49.88
COC1=CN(C)N=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638201	1	39	-1.0	-51.12	333.82	1.27	-49.85
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C(C)(C)O1	REAL250004638202	0	45	-1.0	-48.13	344.64	2.90	-45.23
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C(C)(C)O1	REAL250004638202	1	45	-1.0	-48.11	344.70	2.91	-45.20
CCC1(CC)CNC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638203	0	42	-1.0	-58.38	327.06	1.13	-57.25
CCC1(CC)CNC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638203	1	42	-1.0	-58.39	327.12	1.14	-57.25
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004638204	0	39	-1.0	-49.35	332.34	3.13	-46.22
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004638204	1	39	-1.0	-49.31	332.40	3.15	-46.16
CCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)OC	REAL250004638205	0	40	-1.0	-46.79	323.33	4.73	-42.06
CCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)OC	REAL250004638205	1	40	-1.0	-46.78	323.39	4.75	-42.03
O=C(CCCC1=N[N-]N=N1)NC1CC12CC(O)C2	REAL250004638206	0	34	-1.0	-47.87	290.03	-0.09	-47.96
O=C(CCCC1=NN=N[N-]1)NC1CC12CC(O)C2	REAL250004638206	1	34	-1.0	-47.92	290.08	-0.08	-48.00
O=C(NC1CC12CC(O)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638207	0	34	-1.0	-37.33	300.69	-0.30	-37.63
O=C(NC1CC12CC(O)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638207	1	34	-1.0	-37.27	300.76	-0.31	-37.58
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1N1C=CN=C1	REAL250004638208	0	39	-1.0	-49.73	318.03	5.40	-44.33
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1N1C=CN=C1	REAL250004638208	1	39	-1.0	-49.75	318.09	5.42	-44.33
O=C(CCCC1=N[N-]N=N1)N1CCC(C(F)(F)F)C1	REAL250004638209	0	32	-1.0	-48.08	281.12	3.80	-44.28
O=C(CCCC1=NN=N[N-]1)N1CCC(C(F)(F)F)C1	REAL250004638209	1	32	-1.0	-48.09	281.17	3.82	-44.27
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC1CO	REAL250004638210	0	33	-1.0	-58.16	274.61	2.02	-56.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC1CO	REAL250004638210	1	33	-1.0	-57.69	275.25	2.05	-55.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1CO	REAL250004638211	0	30	-1.0	-40.43	265.09	-0.08	-40.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1CO	REAL250004638211	1	30	-1.0	-40.40	265.15	-0.07	-40.47
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004638212	0	43	-1.0	-52.83	339.95	4.15	-48.68
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004638212	1	43	-1.0	-52.86	340.00	4.16	-48.70
CO[C@@H]1CCOC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004638213	0	37	-1.0	-50.67	304.94	-0.18	-50.85
CO[C@@H]1CCOC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004638213	1	37	-1.0	-50.67	305.00	-0.17	-50.84
CN(C)C(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638214	0	39	-1.0	-59.40	312.25	3.79	-55.61
CN(C)C(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638214	1	39	-1.0	-59.41	312.30	3.81	-55.60
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOCC2	REAL250004638215	0	40	-1.0	-46.63	296.78	3.90	-42.73
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOCC2	REAL250004638215	1	40	-1.0	-46.61	296.84	3.92	-42.69
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(CC2)C1	REAL250004638216	0	39	-1.0	-47.11	313.00	4.45	-42.66
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(CC2)C1	REAL250004638216	1	39	-1.0	-47.17	313.06	4.46	-42.71
O=C(NC1CCCC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638217	0	39	-1.0	-35.15	323.59	4.25	-30.90
O=C(NC1CCCC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638217	1	39	-1.0	-35.14	323.66	4.27	-30.87
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCC2)N=C1	REAL250004638218	0	36	-1.0	-52.39	300.65	3.10	-49.29
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCC2)N=C1	REAL250004638218	1	36	-1.0	-52.37	300.59	3.08	-49.29
COC1(C(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638219	0	33	-1.0	-46.82	292.04	1.74	-45.08
COC1(C(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638219	1	33	-1.0	-46.81	292.09	1.76	-45.05
CC1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)CO1	REAL250004638221	0	40	-1.0	-48.43	322.36	2.49	-45.94
CC1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)CO1	REAL250004638221	1	40	-1.0	-48.41	322.42	2.50	-45.91
O=C(CCCC1=N[N-]N=N1)N(CC1=COC=C1)C1CC1	REAL250004638222	0	36	-1.0	-49.33	302.56	4.91	-44.42
O=C(CCCC1=NN=N[N-]1)N(CC1=COC=C1)C1CC1	REAL250004638222	1	36	-1.0	-49.35	302.62	4.92	-44.43
O=C(CCCC1=N[N-]N=N1)N1CC(N2CCCC2=O)C1	REAL250004638223	0	37	-1.0	-53.15	306.21	2.81	-50.34
O=C(CCCC1=NN=N[N-]1)N1CC(N2CCCC2=O)C1	REAL250004638223	1	37	-1.0	-53.21	306.27	2.82	-50.39
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H]2COCC[C@@H]21	REAL250004638224	0	38	-1.0	-47.20	298.45	1.64	-45.56
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H]2COCC[C@@H]21	REAL250004638224	1	38	-1.0	-47.22	298.51	1.65	-45.57
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCCC1	REAL250004638225	0	42	-1.0	-46.88	330.33	1.85	-45.03
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCCC1	REAL250004638225	1	42	-1.0	-46.94	330.39	1.86	-45.08
COC(=O)C1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638226	0	32	-1.0	-57.91	278.39	3.64	-54.27
COC(=O)C1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638226	1	32	-1.0	-57.96	278.45	3.66	-54.30
COC(=O)C1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638227	0	32	-1.0	-44.42	286.45	3.60	-40.82
COC(=O)C1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638227	1	32	-1.0	-44.42	286.52	3.59	-40.83
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004638228	0	39	-1.0	-46.35	316.26	3.93	-42.42
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004638228	1	39	-1.0	-46.39	316.31	3.94	-42.45
O=C(CCCC1=N[N-]N=N1)NCCC1=CC(O)=CC(F)=C1	REAL250004638229	0	36	-1.0	-51.05	318.02	1.46	-49.59
O=C(CCCC1=NN=N[N-]1)NCCC1=CC(O)=CC(F)=C1	REAL250004638229	1	36	-1.0	-51.07	318.08	1.48	-49.59
O=C(CCCC1=N[N-]N=N1)NC1=CNC2=CC=CC=C12	REAL250004638230	0	33	-1.0	-47.54	284.24	3.39	-44.15
O=C(CCCC1=NN=N[N-]1)NC1=CNC2=CC=CC=C12	REAL250004638230	1	33	-1.0	-47.60	284.29	3.41	-44.19
COC(=O)C1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638231	0	35	-1.0	-56.15	310.45	2.57	-53.58
COC(=O)C1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638231	1	35	-1.0	-56.13	310.39	2.56	-53.57
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CNN=C2N=C1	REAL250004638232	0	31	-1.0	-61.47	274.39	1.30	-60.17
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CNN=C2N=C1	REAL250004638232	1	31	-1.0	-61.47	274.45	1.31	-60.16
O=CNC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638233	0	33	-1.0	-51.27	287.65	1.53	-49.74
O=CNC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638233	1	33	-1.0	-51.30	287.71	1.55	-49.75
O=C(CCCC1=N[N-]N=N1)NC1=NC=C(Cl)C=C1O	REAL250004638234	1	29	-1.0	-50.75	275.90	0.80	-49.95
O=C(CCCC1=NN=N[N-]1)NC1=NC=C(Cl)C=C1O	REAL250004638234	1	29	-1.0	-50.78	275.96	0.81	-49.97
CN1N=NC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638235	0	31	-1.0	-56.10	272.97	3.56	-52.54
CN1N=NC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638235	1	31	-1.0	-55.89	273.07	3.58	-52.31
CN1N=NC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638236	0	28	-1.0	-37.03	259.24	0.45	-36.58
CN1N=NC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638236	1	28	-1.0	-37.02	259.18	0.44	-36.58
CC(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004638237	0	38	-1.0	-50.54	320.94	2.09	-48.45
CC(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004638237	1	38	-1.0	-50.54	321.00	2.10	-48.44
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)NC1=O	REAL250004638238	0	29	-1.0	-54.58	262.02	-2.32	-56.90
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)NC1=O	REAL250004638238	1	29	-1.0	-54.54	262.08	-2.31	-56.85
O=C(NC1CC(=O)NC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638239	0	29	-1.0	-42.22	272.64	-2.53	-44.75
O=C(NC1CC(=O)NC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638239	1	29	-1.0	-42.22	272.70	-2.53	-44.75
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC=CC=C21	REAL250004638240	0	32	-1.0	-46.54	268.45	3.51	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC=CC=C21	REAL250004638240	1	32	-1.0	-46.54	268.51	3.53	-43.01
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=NC=CC=C21	REAL250004638241	0	32	-1.0	-37.00	279.35	3.92	-33.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=NC=CC=C21	REAL250004638241	1	32	-1.0	-36.98	279.42	3.93	-33.05
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=NO1	REAL250004638242	0	31	-1.0	-46.87	275.62	1.70	-45.17
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=NO1	REAL250004638242	1	31	-1.0	-46.87	275.67	1.71	-45.16
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=NO1	REAL250004638243	0	34	-1.0	-51.52	299.99	4.60	-46.92
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=NO1	REAL250004638243	1	34	-1.0	-51.30	300.09	4.62	-46.68
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NO1	REAL250004638244	0	31	-1.0	-36.85	286.21	1.49	-35.36
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NO1	REAL250004638244	1	31	-1.0	-36.84	286.28	1.49	-35.35
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NOC=N1	REAL250004638245	0	33	-1.0	-47.90	281.12	-0.58	-48.48
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NOC=N1	REAL250004638245	1	33	-1.0	-47.89	281.06	-0.59	-48.48
CC1=CN=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004638246	0	35	-1.0	-45.87	289.90	4.17	-41.70
CC1=CN=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004638246	1	35	-1.0	-45.85	289.96	4.18	-41.67
COC(=O)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004638247	0	35	-1.0	-48.22	306.17	2.08	-46.14
COC(=O)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004638247	1	35	-1.0	-48.24	306.23	2.09	-46.15
COC(=O)C1=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004638247	1	35	-1.0	-52.18	308.74	2.09	-50.09
COC(=O)C1=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004638247	1	35	-1.0	-52.23	308.80	2.11	-50.12
CC1(C)OC[C@H](C(O)CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004638248	0	41	-1.0	-48.71	340.71	-1.59	-50.30
CC1(C)OC[C@H](C(O)CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004638248	1	41	-1.0	-48.75	340.76	-1.58	-50.33
COC1=NSC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004638249	0	35	-1.0	-45.92	308.94	1.51	-44.41
COC1=NSC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004638249	1	35	-1.0	-45.93	308.88	1.49	-44.44
COC1=NSC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638250	0	35	-1.0	-50.00	314.50	1.51	-48.49
COC1=NSC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638250	1	35	-1.0	-50.00	314.55	1.52	-48.48
CC1=CNN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638251	0	35	-1.0	-54.78	303.18	3.39	-51.39
CC1=CNN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638251	1	35	-1.0	-54.54	303.27	3.39	-51.15
CC1=CNN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638252	0	32	-1.0	-38.77	290.48	0.27	-38.50
CC1=CNN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638252	1	32	-1.0	-38.75	290.55	0.28	-38.47
O=C(CCCC1=NN=N[N-]1)NC1(C2=NOC=N2)CCC1	REAL250004638253	0	34	-1.0	-49.98	288.74	1.32	-48.66
O=C(CCCC1=N[N-]N=N1)NC1(C2=NOC=N2)CCC1	REAL250004638253	1	34	-1.0	-49.95	288.68	1.31	-48.64
O=C(CCCC1=NN=N[N-]1)NC1(C2=NOC=N2)CC1	REAL250004638254	0	31	-1.0	-52.59	280.12	-0.50	-53.09
O=C(CCCC1=N[N-]N=N1)NC1(C2=NOC=N2)CC1	REAL250004638254	1	31	-1.0	-52.58	280.06	-0.52	-53.10
O=C(NC1(C2=NOC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638255	0	31	-1.0	-40.93	290.70	-0.60	-41.53
O=C(NC1(C2=NOC=N2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638255	1	31	-1.0	-40.95	290.63	-0.61	-41.56
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=NC=CN1	REAL250004638256	0	33	-1.0	-48.53	288.71	-2.31	-50.84
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=NC=CN1	REAL250004638256	1	33	-1.0	-48.53	288.77	-2.30	-50.83
COC(=O)CCCONC(=O)CCCC1=N[N-]N=N1	REAL250004638257	0	35	-1.0	-56.81	309.50	3.17	-53.64
COC(=O)CCCONC(=O)CCCC1=NN=N[N-]1	REAL250004638257	1	35	-1.0	-56.84	309.56	3.19	-53.65
O=C(CCCC1=N[N-]N=N1)NC1CC[C@@H](O)[C@@H](O)C1	REAL250004638258	0	37	-1.0	-51.81	300.66	-2.79	-54.60
O=C(CCCC1=NN=N[N-]1)NC1CC[C@@H](O)[C@@H](O)C1	REAL250004638258	1	37	-1.0	-51.83	300.72	-2.78	-54.61
CON(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638259	0	35	-1.0	-48.85	298.90	1.28	-47.57
CON(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638259	1	35	-1.0	-48.85	298.96	1.29	-47.56
CON(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638260	0	35	-1.0	-37.24	303.20	1.19	-36.05
CON(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638260	1	35	-1.0	-37.19	303.26	1.20	-35.99
CC1=CNC(CNC(=O)CCCC2=N[N-]N=N2)=C(C)C1=O	REAL250004638261	0	38	-1.0	-57.22	320.07	2.25	-54.97
CC1=CNC(CNC(=O)CCCC2=NN=N[N-]2)=C(C)C1=O	REAL250004638261	1	38	-1.0	-57.23	320.12	2.26	-54.97
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCCO)N=C1	REAL250004638262	0	36	-1.0	-51.47	313.43	-2.08	-53.55
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCCO)N=C1	REAL250004638262	1	36	-1.0	-51.42	313.37	-2.10	-53.52
O=C(CCCC1=NN=N[N-]1)NCC1(N2C=CC=N2)CC1	REAL250004638263	0	36	-1.0	-45.87	312.28	2.76	-43.11
O=C(CCCC1=N[N-]N=N1)NCC1(N2C=CC=N2)CC1	REAL250004638263	1	36	-1.0	-45.84	312.22	2.75	-43.09
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(=O)N1	REAL250004638264	0	27	-1.0	-39.03	246.58	0.48	-38.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(=O)N1	REAL250004638264	1	27	-1.0	-38.98	246.65	0.48	-38.50
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004638265	0	35	-1.0	-45.98	287.30	1.99	-43.99
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004638265	1	35	-1.0	-46.00	287.35	2.01	-43.99
O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638266	0	35	-1.0	-36.09	298.30	1.76	-34.33
O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638266	1	35	-1.0	-36.10	298.37	1.77	-34.33
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C2)C1	REAL250004638267	0	39	-1.0	-46.54	290.41	5.15	-41.39
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C2)C1	REAL250004638267	1	39	-1.0	-46.53	290.47	5.16	-41.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCC(C2)C1	REAL250004638268	0	39	-1.0	-35.87	298.50	5.47	-30.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C2)C1	REAL250004638268	1	39	-1.0	-35.82	298.57	5.47	-30.35
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004638269	0	35	-1.0	-54.26	284.81	-1.39	-55.65
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004638269	1	35	-1.0	-54.30	284.87	-1.38	-55.68
CCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004638270	0	35	-1.0	-36.42	294.26	-1.16	-37.58
CCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004638270	1	35	-1.0	-36.40	294.32	-1.16	-37.56
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCOC1	REAL250004638271	0	37	-1.0	-52.13	309.73	2.40	-49.73
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCOC1	REAL250004638271	1	37	-1.0	-52.14	309.67	2.39	-49.75
CCC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004638272	0	37	-1.0	-45.00	308.40	2.77	-42.23
CCC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004638272	1	37	-1.0	-44.98	308.45	2.79	-42.19
NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004638273	0	40	-1.0	-48.26	318.90	1.01	-47.25
NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004638273	1	40	-1.0	-48.30	318.96	1.02	-47.28
CC1=CC=CC(C)=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004638274	0	41	-1.0	-46.90	316.86	6.42	-40.48
CC1=CC=CC(C)=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004638274	1	41	-1.0	-46.95	316.92	6.43	-40.52
CN(CC1=CC(C#N)=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004638275	0	33	-1.0	-47.82	308.18	5.11	-42.71
CN(CC1=CC(C#N)=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004638275	1	33	-1.0	-47.82	308.23	5.12	-42.70
CN(CCN1CCNC(=O)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004638276	0	41	-1.0	-50.08	326.72	-0.87	-50.95
CN(CCN1CCNC(=O)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004638276	1	41	-1.0	-50.08	326.77	-0.86	-50.94
N#CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638277	0	29	-1.0	-50.55	284.63	0.85	-49.70
N#CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638277	1	29	-1.0	-50.57	284.69	0.86	-49.71
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004638278	0	38	-1.0	-46.24	300.26	3.95	-42.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004638278	1	38	-1.0	-46.25	300.32	3.96	-42.29
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004638279	0	38	-1.0	-34.66	310.85	3.74	-30.92
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004638279	1	38	-1.0	-34.64	310.92	3.75	-30.89
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004638280	0	45	-1.0	-47.09	337.01	2.99	-44.10
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004638280	1	45	-1.0	-47.13	337.07	3.01	-44.12
CC1(C#N)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004638281	0	34	-1.0	-52.36	286.39	2.18	-50.18
CC1(C#N)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004638281	1	34	-1.0	-52.43	286.44	2.20	-50.23
CC1(C#N)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004638282	0	34	-1.0	-39.46	293.82	2.37	-37.09
CC1(C#N)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004638282	1	34	-1.0	-39.43	293.88	2.39	-37.04
CC1(C)CCC(CCNC(=O)CCCC2=N[N-]N=N2)OC1	REAL250004638283	0	45	-1.0	-48.48	351.98	3.49	-44.99
CC1(C)CCC(CCNC(=O)CCCC2=NN=N[N-]2)OC1	REAL250004638283	1	45	-1.0	-48.50	352.04	3.50	-45.00
O=C(CCCC1=N[N-]N=N1)N1CCCC2(COCCO2)C1	REAL250004638284	0	41	-1.0	-50.08	316.47	2.61	-47.47
O=C(CCCC1=NN=N[N-]1)N1CCCC2(COCCO2)C1	REAL250004638284	1	41	-1.0	-50.07	316.53	2.62	-47.45
O=C(CCCC1=N[N-]N=N1)NCC1CCC2CC1CO2	REAL250004638285	0	40	-1.0	-46.86	303.86	2.17	-44.69
O=C(CCCC1=NN=N[N-]1)NCC1CCC2CC1CO2	REAL250004638285	1	40	-1.0	-46.85	303.92	2.18	-44.67
O=C(CCCC1=N[N-]N=N1)NCC1CCC(C2CC2)O1	REAL250004638286	0	40	-1.0	-47.12	328.98	3.08	-44.04
O=C(CCCC1=NN=N[N-]1)NCC1CCC(C2CC2)O1	REAL250004638286	1	40	-1.0	-47.12	329.04	3.09	-44.03
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2CC[C@@H]2C1	REAL250004638287	0	36	-1.0	-55.01	286.63	6.35	-48.66
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H]2CC[C@@H]2C1	REAL250004638287	1	36	-1.0	-55.63	286.13	6.33	-49.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CC[C@@H]2C1	REAL250004638288	0	33	-1.0	-36.17	274.81	4.29	-31.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CC[C@@H]2C1	REAL250004638288	1	33	-1.0	-36.15	274.88	4.29	-31.86
O=C(CCCC1=N[N-]N=N1)NCC1(C2(O)CCC2)CC1	REAL250004638289	0	40	-1.0	-46.38	317.27	1.53	-44.85
O=C(CCCC1=NN=N[N-]1)NCC1(C2(O)CCC2)CC1	REAL250004638289	1	40	-1.0	-46.36	317.33	1.54	-44.82
O=C(CCCC1=N[N-]N=N1)NCC12CC(CO)(C1)CO2	REAL250004638290	0	38	-1.0	-48.35	317.26	-1.65	-50.00
O=C(CCCC1=NN=N[N-]1)NCC12CC(CO)(C1)CO2	REAL250004638290	1	38	-1.0	-48.36	317.32	-1.64	-50.00
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL250004638291	0	41	-1.0	-47.24	312.84	5.63	-41.61
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL250004638291	1	41	-1.0	-47.23	312.90	5.64	-41.59
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL250004638292	0	43	-1.0	-47.06	319.14	5.68	-41.38
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL250004638292	1	43	-1.0	-47.05	319.19	5.69	-41.36
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1CCCC[C@@H]1O	REAL250004638293	0	42	-1.0	-47.81	329.52	1.27	-46.54
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1CCCC[C@@H]1O	REAL250004638293	1	42	-1.0	-47.82	329.58	1.29	-46.53
O=C(CCCC1=N[N-]N=N1)N1CC(NC2COC2)C1	REAL250004638294	0	36	-1.0	-49.66	302.20	-0.94	-50.60
O=C(CCCC1=NN=N[N-]1)N1CC(NC2COC2)C1	REAL250004638294	1	36	-1.0	-49.64	302.26	-0.92	-50.56
COC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)NC1=O	REAL250004638295	0	35	-1.0	-52.00	306.15	0.07	-51.93
COC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)NC1=O	REAL250004638295	1	35	-1.0	-51.99	306.21	0.08	-51.91
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL250004638296	0	36	-1.0	-56.79	303.83	0.50	-56.29
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL250004638296	1	36	-1.0	-56.79	303.89	0.52	-56.27
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@H](C(F)(F)F)C1	REAL250004638298	0	35	-1.0	-46.10	301.01	3.59	-42.51
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@H](C(F)(F)F)C1	REAL250004638298	1	35	-1.0	-46.14	301.07	3.61	-42.53
CC1(C)O[C@@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]2O1	REAL250004638299	0	41	-1.0	-51.04	330.35	2.23	-48.81
CC1(C)O[C@@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]2O1	REAL250004638299	1	41	-1.0	-51.06	330.41	2.24	-48.82
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CCF)N=C1	REAL250004638300	0	35	-1.0	-48.50	310.08	2.29	-46.21
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CCF)N=C1	REAL250004638300	1	35	-1.0	-48.45	310.02	2.27	-46.18
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(F)F)C=C1	REAL250004638301	0	32	-1.0	-51.73	287.15	4.29	-47.44
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(F)F)C=C1	REAL250004638301	1	32	-1.0	-51.72	287.21	4.31	-47.41
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1OCCO1	REAL250004638302	0	38	-1.0	-50.55	306.71	2.56	-47.99
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1OCCO1	REAL250004638302	1	38	-1.0	-50.57	306.77	2.58	-47.99
CN1N=NC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004638303	0	35	-1.0	-50.71	291.11	2.12	-48.59
CN1N=NC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004638303	1	35	-1.0	-50.69	291.16	2.14	-48.55
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCOC2	REAL250004638304	0	40	-1.0	-47.53	300.50	4.61	-42.92
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCOC2	REAL250004638304	1	40	-1.0	-47.52	300.55	4.62	-42.90
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](C2CC2)C[C@H]1C1CC1	REAL250004638305	0	43	-1.0	-47.71	338.73	7.01	-40.70
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](C2CC2)C[C@H]1C1CC1	REAL250004638305	1	43	-1.0	-47.71	338.78	7.02	-40.69
CC1CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL250004638306	0	37	-1.0	-49.06	309.92	3.96	-45.10
CC1CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL250004638306	1	37	-1.0	-49.12	309.97	3.98	-45.14
O=C(CCCC1=N[N-]N=N1)N1CCCSCC1C1CC1	REAL250004638307	0	40	-1.0	-46.10	315.00	6.05	-40.05
O=C(CCCC1=NN=N[N-]1)N1CCCSCC1C1CC1	REAL250004638307	1	40	-1.0	-46.08	315.02	6.06	-40.02
CCOC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638308	0	38	-1.0	-51.84	319.46	4.40	-47.44
CCOC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638308	1	38	-1.0	-51.87	319.51	4.41	-47.46
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C1)S2	REAL250004638309	0	37	-1.0	-46.01	297.13	3.73	-42.28
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C1)S2	REAL250004638309	1	37	-1.0	-46.04	297.18	3.74	-42.30
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)O2)CC1	REAL250004638310	0	38	-1.0	-54.62	307.72	0.47	-54.15
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)O2)CC1	REAL250004638310	1	38	-1.0	-54.61	307.78	0.49	-54.12
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2(CCC2)O1	REAL250004638311	0	43	-1.0	-46.58	339.84	3.52	-43.06
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2(CCC2)O1	REAL250004638311	1	43	-1.0	-46.57	339.90	3.54	-43.03
NC(=O)C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004638312	0	37	-1.0	-51.17	296.97	1.24	-49.93
NC(=O)C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004638312	1	37	-1.0	-51.22	297.02	1.25	-49.97
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCNC(=O)O2	REAL250004638313	0	35	-1.0	-52.60	297.05	0.25	-52.35
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCNC(=O)O2	REAL250004638313	1	35	-1.0	-52.61	297.10	0.27	-52.34
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCO1	REAL250004638314	0	39	-1.0	-46.72	304.78	2.09	-44.63
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCO1	REAL250004638314	1	39	-1.0	-46.75	304.84	2.11	-44.64
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CN=CS1	REAL250004638315	0	30	-1.0	-47.20	284.66	0.66	-46.54
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CN=CS1	REAL250004638315	1	30	-1.0	-47.24	284.72	0.68	-46.56
CN1C=C(C(=O)CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004638316	0	34	-1.0	-49.48	303.69	1.26	-48.22
CN1C=C(C(=O)CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004638316	1	34	-1.0	-49.47	303.74	1.28	-48.19
CCCC(O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004638317	0	38	-1.0	-49.38	314.74	0.31	-49.07
CCCC(O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004638317	1	38	-1.0	-49.41	314.80	0.32	-49.09
CCCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638318	0	38	-1.0	-36.66	325.33	0.10	-36.56
CCCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638318	1	38	-1.0	-36.68	325.40	0.12	-36.56
CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004638321	0	36	-1.0	-47.00	304.21	2.13	-44.87
CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004638321	1	36	-1.0	-47.04	304.26	2.14	-44.90
CS(=O)(=O)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004638322	0	35	-1.0	-56.74	313.34	-3.95	-60.69
CS(=O)(=O)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004638322	1	35	-1.0	-56.79	313.40	-3.93	-60.72
C#CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(Cl)=C1	REAL250004638325	0	31	-1.0	-45.63	294.28	5.16	-40.47
C#CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(Cl)=C1	REAL250004638325	1	31	-1.0	-45.61	294.34	5.18	-40.43
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=C(O)C=C1Cl	REAL250004638326	0	30	-1.0	-47.22	284.32	1.19	-46.03
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=C(O)C=C1Cl	REAL250004638326	1	30	-1.0	-47.30	284.38	1.21	-46.09
CSCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638327	0	39	-1.0	-46.48	320.38	5.37	-41.11
CSCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638327	1	39	-1.0	-46.50	320.43	5.38	-41.12
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CCC2)CC1	REAL250004638328	0	43	-1.0	-46.73	322.28	2.99	-43.74
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CCC2)CC1	REAL250004638328	1	43	-1.0	-46.76	322.34	3.01	-43.75
CCO[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638329	0	36	-1.0	-49.32	297.50	2.82	-46.50
CCO[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638329	1	36	-1.0	-49.30	297.55	2.84	-46.46
CCO[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638330	0	36	-1.0	-36.65	304.72	3.08	-33.57
CCO[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638330	1	36	-1.0	-36.62	304.79	3.08	-33.54
CC(C)C1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638331	0	37	-1.0	-47.66	308.39	3.49	-44.17
CC(C)C1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638331	1	37	-1.0	-47.62	308.34	3.47	-44.15
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CC=CC=C2C1	REAL250004638332	0	42	-1.0	-50.47	334.28	5.76	-44.71
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CC=CC=C2C1	REAL250004638332	1	42	-1.0	-50.46	334.34	5.77	-44.69
CC1C(=O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638333	0	34	-1.0	-51.35	273.15	3.34	-48.01
CC1C(=O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638333	1	34	-1.0	-51.33	273.20	3.37	-47.96
CC1C(=O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638334	0	34	-1.0	-39.98	286.15	3.67	-36.31
CC1C(=O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638334	1	34	-1.0	-39.99	286.22	3.67	-36.32
CC1CCC(=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004638335	0	34	-1.0	-48.62	274.24	3.33	-45.29
CC1CCC(=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004638335	1	34	-1.0	-48.59	274.29	3.35	-45.24
CC1CCC(=O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638336	0	34	-1.0	-39.52	281.92	3.59	-35.93
CC1CCC(=O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638336	1	34	-1.0	-39.55	281.98	3.60	-35.95
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC2=CC=CN=C21	REAL250004638337	0	38	-1.0	-53.01	311.74	3.81	-49.20
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC2=CC=CN=C21	REAL250004638337	1	38	-1.0	-53.05	311.80	3.83	-49.22
CCNC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004638338	0	36	-1.0	-48.33	304.67	2.06	-46.27
CCNC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004638338	1	36	-1.0	-48.37	304.73	2.07	-46.30
CCN(CCC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004638339	0	38	-1.0	-52.68	316.85	1.79	-50.89
CCN(CCC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004638339	1	38	-1.0	-52.72	316.91	1.80	-50.92
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC2=CC=CN=C21	REAL250004638340	0	38	-1.0	-53.01	311.74	3.81	-49.20
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC2=CC=CN=C21	REAL250004638340	1	38	-1.0	-53.04	311.80	3.83	-49.21
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004638341	0	35	-1.0	-52.48	295.52	2.49	-49.99
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004638341	1	35	-1.0	-52.47	295.46	2.48	-49.99
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004638342	0	35	-1.0	-38.86	306.11	2.29	-36.57
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004638342	1	35	-1.0	-38.91	306.04	2.28	-36.63
CCC1=NC(OC)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638343	0	38	-1.0	-47.82	319.98	1.65	-46.17
CCC1=NC(OC)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638343	1	38	-1.0	-47.82	320.04	1.67	-46.15
O=C(N[C@@H]1CC[C@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638344	0	33	-1.0	-57.84	282.22	1.36	-56.48
O=C(N[C@@H]1CC[C@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638344	1	33	-1.0	-57.18	281.87	1.41	-55.77
O=C(N[C@@H]1CC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638345	0	30	-1.0	-37.76	268.11	-1.73	-39.49
O=C(N[C@@H]1CC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638345	1	30	-1.0	-37.77	268.18	-1.73	-39.50
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004638346	0	41	-1.0	-48.22	332.07	3.11	-45.11
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004638346	1	41	-1.0	-48.22	332.01	3.09	-45.13
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004638347	0	36	-1.0	-45.34	296.43	4.22	-41.12
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004638347	1	36	-1.0	-45.35	296.49	4.23	-41.12
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C=C1F	REAL250004638348	0	31	-1.0	-48.07	292.12	3.58	-44.49
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C=C1F	REAL250004638348	1	31	-1.0	-48.09	292.17	3.59	-44.50
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C(F)=C1	REAL250004638349	0	31	-1.0	-46.83	282.62	3.10	-43.73
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C(F)=C1	REAL250004638349	1	31	-1.0	-46.83	282.68	3.12	-43.71
CC1=CC=C(Cl)C=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004638350	0	34	-1.0	-45.78	304.45	4.22	-41.56
CC1=CC=C(Cl)C=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004638350	1	34	-1.0	-45.76	304.51	4.24	-41.52
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCCOC1	REAL250004638351	0	43	-1.0	-46.02	330.91	3.85	-42.17
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCCOC1	REAL250004638351	1	43	-1.0	-46.04	330.96	3.86	-42.18
O=C(CCCC1=N[N-]N=N1)NC1CCOC12CCCCC2	REAL250004638352	0	43	-1.0	-44.93	331.35	3.77	-41.16
O=C(CCCC1=NN=N[N-]1)NC1CCOC12CCCCC2	REAL250004638352	1	43	-1.0	-44.95	331.41	3.79	-41.16
O=C(CCCC1=N[N-]N=N1)NC1CCSC2(CCC2)C1	REAL250004638353	0	40	-1.0	-46.65	325.49	4.64	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CCSC2(CCC2)C1	REAL250004638353	1	40	-1.0	-46.63	325.55	4.65	-41.98
CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004638354	0	34	-1.0	-48.83	303.01	4.11	-44.72
CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004638354	1	34	-1.0	-48.92	303.07	4.13	-44.79
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1Cl	REAL250004638355	0	31	-1.0	-47.88	290.71	3.60	-44.28
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1Cl	REAL250004638355	1	31	-1.0	-47.86	290.77	3.61	-44.25
CC1=CNC(C(NC(=O)CCCC2=N[N-]N=N2)C2CC2)=N1	REAL250004638356	0	39	-1.0	-46.22	325.76	2.86	-43.36
CC1=CNC(C(NC(=O)CCCC2=NN=N[N-]2)C2CC2)=N1	REAL250004638356	1	39	-1.0	-46.26	325.82	2.87	-43.39
CC1(C)C2CCC(C2)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638357	0	45	-1.0	-46.23	333.80	4.80	-41.43
CC1(C)C2CCC(C2)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638357	1	45	-1.0	-46.28	333.89	4.81	-41.47
C#CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004638358	0	38	-1.0	-46.79	310.48	3.87	-42.92
C#CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004638358	1	38	-1.0	-46.78	310.54	3.88	-42.90
C#CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004638359	0	35	-1.0	-47.73	291.92	3.09	-44.64
C#CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004638359	1	35	-1.0	-47.75	291.98	3.11	-44.64
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004638360	0	35	-1.0	-37.09	297.29	3.80	-33.29
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004638360	1	35	-1.0	-37.05	297.36	3.81	-33.24
C#CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC1	REAL250004638361	0	37	-1.0	-49.85	303.75	7.27	-42.58
C#CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC1	REAL250004638361	1	37	-1.0	-49.72	303.84	7.29	-42.43
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004638362	0	34	-1.0	-36.77	289.74	5.72	-31.05
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004638362	1	34	-1.0	-36.74	289.81	5.74	-31.00
CCC1(C)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638363	0	38	-1.0	-52.89	310.48	6.22	-46.67
CCC1(C)CC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638363	1	38	-1.0	-52.66	310.58	6.25	-46.41
CCC1(C)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638364	0	35	-1.0	-34.92	296.69	3.10	-31.82
CCC1(C)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638364	1	35	-1.0	-34.92	296.76	3.10	-31.82
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H]2CC(CO)C[C@H]12	REAL250004638365	0	40	-1.0	-47.90	317.81	1.42	-46.48
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2CC(CO)C[C@H]12	REAL250004638365	1	40	-1.0	-47.94	317.87	1.43	-46.51
COCC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004638366	0	39	-1.0	-45.90	310.43	2.69	-43.21
COCC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004638366	1	39	-1.0	-45.92	310.49	2.70	-43.22
O=C(CCCC1=NN=N[N-]1)NCCN1N=CC2=CC=CC=C21	REAL250004638367	0	38	-1.0	-53.08	328.96	3.68	-49.40
O=C(CCCC1=N[N-]N=N1)NCCN1N=CC2=CC=CC=C21	REAL250004638367	1	38	-1.0	-53.08	328.90	3.67	-49.41
C#CCN(CC(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638368	0	39	-1.0	-51.54	319.17	7.75	-43.79
C#CCN(CC(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638368	1	39	-1.0	-51.89	318.85	7.83	-44.06
C#CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638369	0	36	-1.0	-36.23	301.99	5.96	-30.27
C#CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638369	1	36	-1.0	-36.23	302.07	5.96	-30.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2CC2CC1	REAL250004638370	0	39	-1.0	-46.17	299.98	4.95	-41.22
O=C(CCCC1=NN=N[N-]1)NC1CCC2CC2CC1	REAL250004638370	1	39	-1.0	-46.20	300.04	4.97	-41.23
O=C(NC1CCC2CC2CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638371	0	39	-1.0	-35.11	310.57	4.76	-30.35
O=C(NC1CCC2CC2CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638371	1	39	-1.0	-35.10	310.64	4.76	-30.34
NC(=O)C1C[C@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)[C@H]2C1	REAL250004638372	0	40	-1.0	-52.04	319.73	0.46	-51.58
NC(=O)C1C[C@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)[C@H]2C1	REAL250004638372	1	40	-1.0	-52.03	319.80	0.47	-51.56
CC1CCOCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638373	0	36	-1.0	-52.82	284.95	3.97	-48.85
CC1CCOCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638373	1	36	-1.0	-53.25	284.63	3.95	-49.30
CC1CCOCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638374	0	33	-1.0	-35.73	270.20	1.69	-34.04
CC1CCOCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638374	1	33	-1.0	-35.70	270.27	1.70	-34.00
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1CO	REAL250004638375	0	42	-1.0	-51.23	315.65	1.53	-49.70
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1CO	REAL250004638375	1	42	-1.0	-51.23	315.71	1.54	-49.69
CC(C)C1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638376	0	42	-1.0	-60.06	317.09	2.25	-57.81
CC(C)C1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638376	1	42	-1.0	-60.06	317.15	2.27	-57.79
CN1C=CC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638377	0	38	-1.0	-48.15	313.60	2.56	-45.59
CN1C=CC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638377	1	38	-1.0	-48.14	313.54	2.55	-45.59
C=CCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638378	0	39	-1.0	-48.44	315.25	5.56	-42.88
C=CCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638378	1	39	-1.0	-48.50	315.31	5.57	-42.93
C=CCCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638379	0	39	-1.0	-37.05	322.74	5.79	-31.26
C=CCCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638379	1	39	-1.0	-37.03	322.81	5.81	-31.22
O=C(CCCC1=N[N-]N=N1)N1CC2CC1CCC2(F)F	REAL250004638380	0	36	-1.0	-46.42	290.76	5.06	-41.36
O=C(CCCC1=NN=N[N-]1)N1CC2CC1CCC2(F)F	REAL250004638380	1	36	-1.0	-46.42	290.81	5.08	-41.34
CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638381	0	35	-1.0	-47.50	306.17	4.17	-43.33
CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638381	1	35	-1.0	-47.52	306.23	4.18	-43.34
CN(CC1CCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638382	0	38	-1.0	-40.97	305.46	7.15	-33.82
CN(CC1CCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638382	1	38	-1.0	-40.83	305.55	7.18	-33.65
CN(CC1CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638383	0	35	-1.0	-35.65	291.69	5.03	-30.62
CN(CC1CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638383	1	35	-1.0	-35.65	291.76	5.06	-30.59
CC(CC1=CC=NO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004638384	0	34	-1.0	-50.56	295.81	2.70	-47.86
CC(CC1=CC=NO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004638384	1	34	-1.0	-50.57	295.87	2.72	-47.85
CC(CC1=CC=NO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638385	0	34	-1.0	-39.80	306.30	2.52	-37.28
CC(CC1=CC=NO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638385	1	34	-1.0	-39.75	306.36	2.54	-37.21
O=C(CCCC1=N[N-]N=N1)NC1(C2CCOCC2)CC1	REAL250004638386	0	40	-1.0	-46.55	311.99	2.75	-43.80
O=C(CCCC1=NN=N[N-]1)NC1(C2CCOCC2)CC1	REAL250004638386	1	40	-1.0	-46.55	312.04	2.77	-43.78
O=C(CCCC1=N[N-]N=N1)NCC1CCS(=O)(=O)N1	REAL250004638387	0	34	-1.0	-58.36	296.33	-2.92	-61.28
O=C(CCCC1=NN=N[N-]1)NCC1CCS(=O)(=O)N1	REAL250004638387	1	34	-1.0	-58.38	296.39	-2.90	-61.28
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCOCC2	REAL250004638388	0	40	-1.0	-47.95	317.60	2.43	-45.52
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCOCC2	REAL250004638388	1	40	-1.0	-47.99	317.66	2.44	-45.55
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004638389	0	35	-1.0	-46.71	302.97	4.38	-42.33
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004638389	1	35	-1.0	-46.68	303.03	4.39	-42.29
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004638390	0	40	-1.0	-49.98	324.47	1.18	-48.80
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004638390	1	40	-1.0	-50.01	324.53	1.19	-48.82
O=C(NC[C@@H](O)CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638391	0	33	-1.0	-53.07	287.34	-2.24	-55.31
O=C(NC[C@@H](O)CO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638391	1	33	-1.0	-52.87	287.44	-2.24	-55.11
O=C(NC[C@@H](O)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638392	0	30	-1.0	-39.10	273.60	-5.38	-44.48
O=C(NC[C@@H](O)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638392	1	30	-1.0	-39.11	273.67	-5.37	-44.48
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=CC(F)=CC=C21	REAL250004638393	0	36	-1.0	-48.80	308.80	4.80	-44.00
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=CC(F)=CC=C21	REAL250004638393	1	36	-1.0	-48.86	308.86	4.82	-44.04
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004638394	0	38	-1.0	-50.10	328.64	3.78	-46.32
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004638394	1	38	-1.0	-50.07	328.70	3.79	-46.28
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC2=CC=CC=C21	REAL250004638395	0	39	-1.0	-49.04	312.34	5.16	-43.88
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC2=CC=CC=C21	REAL250004638395	1	39	-1.0	-49.06	312.40	5.17	-43.89
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C1)C(=O)N2	REAL250004638396	0	37	-1.0	-50.53	306.82	0.02	-50.51
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C1)C(=O)N2	REAL250004638396	1	37	-1.0	-50.54	306.88	0.03	-50.51
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC2=CC(F)=CC=C21	REAL250004638397	0	36	-1.0	-48.73	306.25	4.72	-44.01
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC2=CC(F)=CC=C21	REAL250004638397	1	36	-1.0	-48.73	306.31	4.74	-43.99
N#CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004638398	0	37	-1.0	-50.45	316.33	6.16	-44.29
N#CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004638398	1	37	-1.0	-50.48	316.38	6.17	-44.31
CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638399	0	41	-1.0	-47.80	339.07	4.09	-43.71
CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638399	1	41	-1.0	-47.86	339.13	4.10	-43.76
O=C(CCCC1=N[N-]N=N1)NCC1(OCCO)CCC1	REAL250004638401	0	40	-1.0	-47.05	328.87	-0.80	-47.85
O=C(CCCC1=NN=N[N-]1)NCC1(OCCO)CCC1	REAL250004638401	1	40	-1.0	-47.08	328.93	-0.79	-47.87
NC(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638402	0	34	-1.0	-56.59	299.02	-0.78	-57.37
NC(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638402	1	34	-1.0	-56.61	299.08	-0.76	-57.37
CC1=C(C(C)NC(=O)CCCC2=N[N-]N=N2)SN=N1	REAL250004638403	0	33	-1.0	-46.98	297.03	1.42	-45.56
CC1=C(C(C)NC(=O)CCCC2=NN=N[N-]2)SN=N1	REAL250004638403	1	33	-1.0	-46.99	297.09	1.43	-45.56
O=C(CCCC1=N[N-]N=N1)N1CC(CO)CC1CO	REAL250004638404	0	37	-1.0	-51.28	300.26	-0.88	-52.16
O=C(CCCC1=NN=N[N-]1)N1CC(CO)CC1CO	REAL250004638404	1	37	-1.0	-51.32	300.32	-0.87	-52.19
CC1(C)COCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004638405	0	40	-1.0	-46.80	322.36	1.08	-45.72
CC1(C)COCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004638405	1	40	-1.0	-46.80	322.42	1.10	-45.70
NC1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=NO1	REAL250004638406	0	34	-1.0	-50.49	285.55	0.11	-50.38
NC1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=NO1	REAL250004638406	1	34	-1.0	-50.47	285.61	0.12	-50.35
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCC1	REAL250004638407	0	39	-1.0	-46.63	323.36	2.66	-43.97
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCC1	REAL250004638407	1	39	-1.0	-46.62	323.42	2.67	-43.95
CC(C)[C@]12C[C@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004638408	0	39	-1.0	-47.41	309.54	5.58	-41.83
CC(C)[C@]12C[C@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004638408	1	39	-1.0	-47.40	309.60	5.59	-41.81
CC(C)[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004638409	0	39	-1.0	-35.86	314.92	5.50	-30.36
CC(C)[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004638409	1	39	-1.0	-35.85	314.99	5.52	-30.33
CCCC(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638410	0	35	-1.0	-50.00	302.75	3.54	-46.46
CCCC(=O)NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638410	1	35	-1.0	-49.81	302.82	3.56	-46.25
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NN=C1C	REAL250004638412	0	35	-1.0	-49.10	301.10	2.30	-46.80
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NN=C1C	REAL250004638412	1	35	-1.0	-49.07	301.16	2.32	-46.75
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCCF)C=C1	REAL250004638413	0	36	-1.0	-51.91	310.95	3.73	-48.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCCF)C=C1	REAL250004638413	1	36	-1.0	-51.92	311.00	3.75	-48.17
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N(C1CC1)C1CCC1	REAL250004638414	0	39	-1.0	-49.09	300.83	7.24	-41.85
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N(C1CC1)C1CCC1	REAL250004638414	1	39	-1.0	-48.14	300.88	7.16	-40.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(C1CC1)C1CCC1	REAL250004638415	0	36	-1.0	-35.75	282.02	5.20	-30.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(C1CC1)C1CCC1	REAL250004638415	1	36	-1.0	-35.69	282.18	5.22	-30.47
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CO1	REAL250004638416	0	31	-1.0	-49.10	276.49	-1.19	-50.29
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CO1	REAL250004638416	1	31	-1.0	-49.15	276.54	-1.18	-50.33
CC1=NC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CO1	REAL250004638417	0	34	-1.0	-54.57	300.86	1.71	-52.86
CC1=NC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CO1	REAL250004638417	1	34	-1.0	-54.46	300.96	1.73	-52.73
CC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004638418	0	31	-1.0	-39.00	287.08	-1.40	-40.40
CC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004638418	1	31	-1.0	-38.96	287.15	-1.40	-40.36
CC(C)C1=NOC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638419	0	37	-1.0	-46.96	317.31	2.75	-44.21
CC(C)C1=NOC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638419	1	37	-1.0	-46.97	317.37	2.76	-44.21
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCCC1	REAL250004638420	0	42	-1.0	-47.04	326.57	1.38	-45.66
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCCC1	REAL250004638420	1	42	-1.0	-47.04	326.63	1.39	-45.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)C(O)=CO1	REAL250004638421	0	32	-1.0	-56.78	290.25	-0.53	-57.31
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)C(O)=CO1	REAL250004638421	1	32	-1.0	-56.77	290.30	-0.51	-57.28
CCOC(=O)C1=C(NC(=O)CCCC2=N[N-]N=N2)NC=C1	REAL250004638422	0	36	-1.0	-44.86	312.85	4.17	-40.69
CCOC(=O)C1=C(NC(=O)CCCC2=NN=N[N-]2)NC=C1	REAL250004638422	1	36	-1.0	-44.87	312.91	4.19	-40.68
O=C(CCCC1=N[N-]N=N1)NC(CO)C(F)(F)F	REAL250004638423	0	29	-1.0	-49.09	263.43	-1.41	-50.50
O=C(CCCC1=NN=N[N-]1)NC(CO)C(F)(F)F	REAL250004638423	1	29	-1.0	-49.08	263.49	-1.39	-50.47
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)C(F)(F)F	REAL250004638424	0	29	-1.0	-49.06	263.43	-1.41	-50.47
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)C(F)(F)F	REAL250004638424	1	29	-1.0	-49.12	263.49	-1.40	-50.52
CCOC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004638426	0	39	-1.0	-46.29	329.11	1.51	-44.78
CCOC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004638426	1	39	-1.0	-46.29	329.17	1.52	-44.77
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1C=CC(=O)N2	REAL250004638427	0	35	-1.0	-50.70	300.49	2.52	-48.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1C=CC(=O)N2	REAL250004638427	1	35	-1.0	-50.66	300.55	2.53	-48.13
CC(O)CONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638428	0	33	-1.0	-59.73	289.78	2.17	-57.56
CC(O)CONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638428	1	33	-1.0	-59.56	289.85	2.19	-57.37
CC(O)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638429	0	30	-1.0	-38.80	275.63	-0.92	-39.72
CC(O)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638429	1	30	-1.0	-38.76	275.70	-0.92	-39.68
CCOCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638430	0	30	-1.0	-36.34	277.43	3.92	-32.42
CCOCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638430	1	30	-1.0	-36.30	277.48	3.92	-32.38
CC(C)=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638431	0	30	-1.0	-36.33	272.50	4.99	-31.34
CC(C)=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638431	1	30	-1.0	-36.32	272.55	4.99	-31.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004638432	0	30	-1.0	-37.43	277.24	5.97	-31.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004638432	1	30	-1.0	-37.28	278.25	5.99	-31.29
CC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638433	0	32	-1.0	-34.50	281.08	5.04	-29.46
CC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638433	1	32	-1.0	-34.47	281.13	5.05	-29.42
CC(C)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638434	0	35	-1.0	-34.52	303.42	5.73	-28.79
CC(C)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638434	1	35	-1.0	-34.46	303.46	5.75	-28.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCO1	REAL250004638435	0	31	-1.0	-35.76	278.99	4.18	-31.58
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCO1	REAL250004638435	1	31	-1.0	-35.77	279.04	4.18	-31.59
CSCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638436	0	27	-1.0	-35.53	265.92	4.12	-31.41
CSCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638436	1	27	-1.0	-35.50	265.96	4.12	-31.38
CSCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638437	0	30	-1.0	-34.83	287.59	4.93	-29.90
CSCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638437	1	30	-1.0	-34.75	287.64	4.93	-29.82
CC(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638438	0	31	-1.0	-38.68	287.56	4.36	-34.32
CC(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638438	1	31	-1.0	-38.66	287.60	4.37	-34.29
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL250004638439	0	27	-1.0	-38.88	262.44	4.00	-34.88
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL250004638439	1	27	-1.0	-38.86	262.48	4.00	-34.86
CC(=O)NCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638440	0	30	-1.0	-38.45	281.54	1.37	-37.08
CC(=O)NCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638440	1	30	-1.0	-38.41	281.58	1.38	-37.03
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(F)F	REAL250004638441	0	23	-1.0	-36.12	235.18	3.16	-32.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)F	REAL250004638441	1	23	-1.0	-36.13	235.23	3.17	-32.96
CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638442	0	26	-1.0	-34.96	242.86	3.69	-31.27
CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638442	1	26	-1.0	-34.88	242.90	3.69	-31.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1	REAL250004638443	0	27	-1.0	-35.36	252.33	4.43	-30.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1	REAL250004638443	1	27	-1.0	-35.35	252.37	4.44	-30.91
COCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638444	0	27	-1.0	-36.26	255.58	2.96	-33.30
COCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638444	1	27	-1.0	-36.26	255.62	2.96	-33.30
CC1CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638445	0	30	-1.0	-35.33	274.72	5.12	-30.21
CC1CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638445	1	30	-1.0	-35.37	274.77	5.12	-30.25
CC=CC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638446	0	31	-1.0	-36.56	291.57	5.73	-30.83
CC=CC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638446	1	31	-1.0	-36.59	291.62	5.73	-30.86
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC1	REAL250004638447	0	30	-1.0	-35.25	269.56	4.96	-30.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1	REAL250004638447	1	30	-1.0	-35.24	269.61	4.96	-30.28
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC1	REAL250004638448	0	33	-1.0	-34.80	285.78	5.56	-29.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC1	REAL250004638448	1	33	-1.0	-34.75	285.82	5.57	-29.18
CCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638449	0	29	-1.0	-34.67	264.36	4.46	-30.21
CCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638449	1	29	-1.0	-34.71	264.40	4.46	-30.25
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC=C1	REAL250004638450	0	27	-1.0	-36.72	260.63	3.94	-32.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC=C1	REAL250004638450	1	27	-1.0	-36.70	260.67	3.94	-32.76
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN1	REAL250004638451	0	28	-1.0	-36.21	264.35	3.77	-32.44
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN1	REAL250004638451	1	28	-1.0	-36.18	264.39	3.77	-32.41
CCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638452	0	32	-1.0	-34.60	285.86	5.23	-29.37
CCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638452	1	32	-1.0	-34.61	285.90	5.24	-29.37
CCCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638453	0	35	-1.0	-34.58	307.35	6.01	-28.57
CCCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638453	1	35	-1.0	-34.60	307.39	6.02	-28.58
CC(C)(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638454	0	35	-1.0	-34.13	296.05	5.56	-28.57
CC(C)(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638454	1	35	-1.0	-34.14	296.09	5.57	-28.57
CC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638455	0	29	-1.0	-34.89	261.17	4.30	-30.59
CC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638455	1	29	-1.0	-34.86	261.21	4.33	-30.53
CCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638456	0	32	-1.0	-34.59	280.77	4.98	-29.61
CCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638456	1	32	-1.0	-34.61	280.81	4.99	-29.62
O=C(CC1CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638457	0	30	-1.0	-34.65	272.77	5.20	-29.45
O=C(CC1CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638457	1	30	-1.0	-34.63	272.81	5.20	-29.43
COC(=O)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638458	0	29	-1.0	-38.80	274.80	4.54	-34.26
COC(=O)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638458	1	29	-1.0	-38.78	274.85	4.54	-34.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC=C1	REAL250004638459	0	27	-1.0	-42.59	261.03	2.44	-40.15
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC=C1	REAL250004638459	1	27	-1.0	-42.60	261.08	2.43	-40.17
CCC(CC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638460	0	35	-1.0	-34.93	296.86	5.53	-29.40
CCC(CC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638460	1	35	-1.0	-34.99	296.91	5.53	-29.46
CSC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638461	0	30	-1.0	-35.18	284.47	4.69	-30.49
CSC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638461	1	30	-1.0	-35.15	284.51	4.69	-30.46
CCOC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638462	0	33	-1.0	-35.96	296.90	4.62	-31.34
CCOC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638462	1	33	-1.0	-35.98	296.95	4.62	-31.36
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNN=C1	REAL250004638463	0	27	-1.0	-38.57	259.34	2.40	-36.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNN=C1	REAL250004638463	1	27	-1.0	-38.58	259.38	2.40	-36.18
COCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638464	0	33	-1.0	-36.05	298.03	3.52	-32.53
COCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638464	1	33	-1.0	-36.03	298.07	3.53	-32.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NOC=C1	REAL250004638465	0	26	-1.0	-42.24	256.98	3.25	-38.99
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NOC=C1	REAL250004638465	1	26	-1.0	-42.24	256.94	3.25	-38.99
COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638466	0	30	-1.0	-35.97	275.71	3.65	-32.32
COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638466	1	30	-1.0	-35.99	275.75	3.65	-32.34
CCC=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638467	0	33	-1.0	-36.24	291.53	5.76	-30.48
CCC=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638467	1	33	-1.0	-36.23	291.58	5.76	-30.47
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCOC1	REAL250004638468	0	31	-1.0	-34.35	276.78	2.96	-31.39
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCOC1	REAL250004638468	1	31	-1.0	-34.35	276.83	2.96	-31.39
COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638469	0	30	-1.0	-35.97	275.71	3.65	-32.32
COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638469	1	30	-1.0	-35.99	275.75	3.65	-32.34
CC(C)OCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638470	0	33	-1.0	-36.19	297.71	4.64	-31.55
CC(C)OCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638470	1	33	-1.0	-36.15	297.75	4.65	-31.50
CCCOCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638471	0	33	-1.0	-36.17	298.93	4.71	-31.46
CCCOCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638471	1	33	-1.0	-36.10	298.97	4.72	-31.38
CCC(OC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638472	0	33	-1.0	-34.65	295.71	4.49	-30.16
CCC(OC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638472	1	33	-1.0	-34.63	295.76	4.49	-30.14
COC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638473	0	33	-1.0	-35.41	295.67	4.21	-31.20
COC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638473	1	33	-1.0	-35.41	295.71	4.22	-31.19
C=CCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638474	0	30	-1.0	-34.68	277.17	5.02	-29.66
C=CCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638474	1	30	-1.0	-34.65	277.21	5.02	-29.63
CCOCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638475	0	33	-1.0	-34.97	298.39	3.72	-31.25
CCOCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638475	1	33	-1.0	-34.93	298.43	3.73	-31.20
COCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638476	0	30	-1.0	-34.94	276.53	2.76	-32.18
COCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638476	1	30	-1.0	-34.95	276.57	2.76	-32.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COCC1	REAL250004638477	0	29	-1.0	-36.86	268.55	3.51	-33.35
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COCC1	REAL250004638477	1	29	-1.0	-36.88	268.59	3.51	-33.37
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC=C1	REAL250004638478	0	28	-1.0	-40.87	265.73	3.85	-37.02
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC=C1	REAL250004638478	1	28	-1.0	-40.90	265.77	3.86	-37.04
CN(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638479	0	31	-1.0	-35.08	276.36	2.01	-33.07
CN(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638479	1	31	-1.0	-35.08	276.41	2.03	-33.05
CCCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638480	0	35	-1.0	-34.55	302.27	5.74	-28.81
CCCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638480	1	35	-1.0	-34.57	302.30	5.74	-28.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC=N1	REAL250004638481	0	27	-1.0	-45.32	261.14	3.50	-41.82
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC=N1	REAL250004638481	1	27	-1.0	-45.29	261.18	3.51	-41.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC=N1	REAL250004638482	0	26	-1.0	-41.79	257.27	0.57	-41.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC=N1	REAL250004638482	1	26	-1.0	-41.81	257.23	0.57	-41.24
CC(C#N)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638483	0	27	-1.0	-35.22	262.07	3.97	-31.25
CC(C#N)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638483	1	27	-1.0	-35.26	262.11	3.96	-31.30
COCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638484	0	33	-1.0	-34.87	295.04	3.45	-31.42
COCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638484	1	33	-1.0	-34.88	295.09	3.45	-31.43
C=CCOCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638485	0	31	-1.0	-36.54	290.34	4.49	-32.05
C=CCOCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638485	1	31	-1.0	-36.47	290.38	4.50	-31.97
O=C(CCC1CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638486	0	33	-1.0	-34.54	295.95	6.01	-28.53
O=C(CCC1CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638486	1	33	-1.0	-34.55	296.00	6.02	-28.53
CC(C)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638487	0	35	-1.0	-34.71	296.23	5.55	-29.16
CC(C)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638487	1	35	-1.0	-34.70	296.28	5.55	-29.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC=CC1	REAL250004638488	0	31	-1.0	-34.70	278.39	5.46	-29.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC=CC1	REAL250004638488	1	31	-1.0	-34.67	278.44	5.47	-29.20
O=C(CC1CCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638489	0	33	-1.0	-34.63	289.73	5.72	-28.91
O=C(CC1CCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638489	1	33	-1.0	-34.58	289.78	5.72	-28.86
CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1	REAL250004638490	0	33	-1.0	-34.97	292.12	5.82	-29.15
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1	REAL250004638490	1	33	-1.0	-34.97	292.16	5.82	-29.15
CC=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638491	0	30	-1.0	-36.51	271.09	4.97	-31.54
CC=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638491	1	30	-1.0	-36.45	271.15	4.97	-31.48
CC(C)=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638492	0	33	-1.0	-36.63	286.80	5.66	-30.97
CC(C)=C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638492	1	33	-1.0	-36.59	286.84	5.66	-30.93
CSC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638493	0	28	-1.0	-36.78	278.46	4.61	-32.17
CSC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638493	1	28	-1.0	-36.78	278.50	4.62	-32.16
C=CCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638494	0	33	-1.0	-34.70	298.67	5.79	-28.91
C=CCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638494	1	33	-1.0	-34.70	298.71	5.80	-28.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CCCC1	REAL250004638495	0	31	-1.0	-37.03	278.55	5.53	-31.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CCCC1	REAL250004638495	1	31	-1.0	-36.99	278.60	5.54	-31.45
O=C(C=C1CCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638496	0	31	-1.0	-36.95	281.99	5.68	-31.27
O=C(C=C1CCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638496	1	31	-1.0	-36.57	280.99	5.65	-30.92
CC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL250004638497	0	33	-1.0	-35.09	289.50	5.59	-29.50
CC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL250004638497	1	33	-1.0	-35.06	289.54	5.59	-29.47
CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638498	0	27	-1.0	-33.84	254.00	1.44	-32.40
CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638498	1	27	-1.0	-33.83	254.04	1.44	-32.39
CC1(C)C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638499	0	33	-1.0	-35.16	289.93	5.67	-29.49
CC1(C)C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638499	1	33	-1.0	-35.40	288.99	5.66	-29.74
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCO1	REAL250004638500	0	28	-1.0	-36.51	260.32	3.20	-33.31
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCO1	REAL250004638500	1	28	-1.0	-36.48	260.35	3.20	-33.28
O=C(CO)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638501	0	24	-1.0	-37.64	233.33	0.68	-36.96
O=C(CO)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638501	1	24	-1.0	-37.63	233.37	0.68	-36.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(=O)C1	REAL250004638502	0	29	-1.0	-35.28	272.27	4.04	-31.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(=O)C1	REAL250004638502	1	29	-1.0	-35.22	272.32	4.05	-31.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CO1	REAL250004638503	0	26	-1.0	-37.68	257.27	0.70	-36.98
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CO1	REAL250004638503	1	26	-1.0	-37.76	257.23	0.70	-37.06
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC=N1	REAL250004638504	0	26	-1.0	-44.32	255.86	3.12	-41.20
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC=N1	REAL250004638504	1	26	-1.0	-44.26	255.90	3.12	-41.14
CC1(C)CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638505	0	33	-1.0	-35.09	288.93	5.65	-29.44
CC1(C)CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638505	1	33	-1.0	-35.08	288.98	5.65	-29.43
O=C(CCCCO)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638506	0	33	-1.0	-36.42	297.28	1.89	-34.53
O=C(CCCCO)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638506	1	33	-1.0	-36.45	297.32	1.91	-34.54
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CCCO1	REAL250004638507	0	31	-1.0	-37.10	278.96	4.17	-32.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CCCO1	REAL250004638507	1	31	-1.0	-37.09	279.00	4.17	-32.92
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1CCCO1	REAL250004638508	0	31	-1.0	-36.89	277.84	4.11	-32.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1CCCO1	REAL250004638508	1	31	-1.0	-36.83	277.88	4.12	-32.71
N#CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638509	0	24	-1.0	-37.38	242.32	3.37	-34.01
N#CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638509	1	24	-1.0	-37.34	242.36	3.37	-33.97
C#CCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638510	0	28	-1.0	-35.24	270.14	4.97	-30.27
C#CCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638510	1	28	-1.0	-35.21	270.18	4.98	-30.23
C#CCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638511	0	31	-1.0	-36.27	291.64	5.75	-30.52
C#CCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638511	1	31	-1.0	-36.26	291.68	5.76	-30.50
CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL250004638512	0	33	-1.0	-34.64	293.92	5.71	-28.93
CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL250004638512	1	33	-1.0	-34.60	293.99	5.71	-28.89
CCC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638513	0	35	-1.0	-34.48	299.31	5.71	-28.77
CCC(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638513	1	35	-1.0	-34.43	299.36	5.72	-28.71
CC#CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638514	0	25	-1.0	-38.63	249.93	4.30	-34.33
CC#CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638514	1	25	-1.0	-38.61	249.97	4.31	-34.30
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638515	0	30	-1.0	-35.20	273.71	5.10	-30.10
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638515	1	30	-1.0	-35.21	273.76	5.11	-30.10
CC(C)C(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638516	0	32	-1.0	-32.91	285.17	5.08	-27.83
CC(C)C(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638516	1	32	-1.0	-32.92	285.22	5.08	-27.84
C[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638517	0	27	-1.0	-35.08	253.02	1.41	-33.67
C[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638517	1	27	-1.0	-35.06	253.07	1.42	-33.64
C[C@@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638518	0	27	-1.0	-35.33	253.33	1.44	-33.89
C[C@@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638518	1	27	-1.0	-35.30	253.37	1.45	-33.85
C[C@H]1C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638519	0	30	-1.0	-35.58	274.72	5.12	-30.46
C[C@H]1C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638519	1	30	-1.0	-35.63	274.77	5.12	-30.51
C=C(CO)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638520	0	28	-1.0	-35.35	263.31	1.02	-34.33
C=C(CO)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638520	1	28	-1.0	-35.35	263.35	1.02	-34.33
CC(C)(O)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638521	0	33	-1.0	-34.60	287.28	3.00	-31.60
CC(C)(O)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638521	1	33	-1.0	-34.60	287.33	3.00	-31.60
CC=C(CC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638522	0	33	-1.0	-36.80	292.20	5.68	-31.12
CC=C(CC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638522	1	33	-1.0	-36.78	292.25	5.70	-31.08
CC(C)[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638523	0	33	-1.0	-35.36	288.11	3.28	-32.08
CC(C)[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638523	1	33	-1.0	-35.36	288.15	3.29	-32.07
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(O)C1CC1	REAL250004638524	0	31	-1.0	-34.94	280.93	3.22	-31.72
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(O)C1CC1	REAL250004638524	1	31	-1.0	-34.89	280.97	3.22	-31.67
CC(C)[C@@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638525	0	33	-1.0	-34.60	288.58	2.95	-31.65
CC(C)[C@@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638525	1	33	-1.0	-34.50	288.58	2.95	-31.55
CON=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638526	0	27	-1.0	-35.21	265.30	2.26	-32.95
CON=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638526	1	27	-1.0	-35.17	265.35	2.27	-32.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CN1	REAL250004638527	0	27	-1.0	-42.68	261.32	2.72	-39.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CN1	REAL250004638527	1	27	-1.0	-42.67	261.37	2.73	-39.94
CC(C)C#CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638528	0	31	-1.0	-37.60	292.19	5.71	-31.89
CC(C)C#CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638528	1	31	-1.0	-37.60	292.24	5.71	-31.89
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638529	0	33	-1.0	-35.41	295.15	5.87	-29.54
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638529	1	33	-1.0	-35.39	295.19	5.87	-29.52
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1(F)F	REAL250004638530	0	27	-1.0	-34.54	264.84	4.65	-29.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1(F)F	REAL250004638530	1	27	-1.0	-34.51	264.89	4.66	-29.85
COCC#CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638531	0	29	-1.0	-40.12	283.57	3.36	-36.76
COCC#CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638531	1	29	-1.0	-38.39	283.62	3.37	-35.02
CCC(C)=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638532	0	33	-1.0	-36.11	293.97	5.74	-30.37
CCC(C)=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638532	1	33	-1.0	-36.10	294.02	5.75	-30.35
CCC1CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638533	0	33	-1.0	-35.17	296.13	5.89	-29.28
CCC1CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638533	1	33	-1.0	-35.15	296.18	5.90	-29.25
C=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638534	0	28	-1.0	-34.05	264.21	2.18	-31.87
C=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638534	1	28	-1.0	-34.05	264.26	2.17	-31.88
N#CCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638535	0	30	-1.0	-39.70	285.21	4.97	-34.73
N#CCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638535	1	30	-1.0	-39.79	285.25	4.98	-34.81
CC(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638536	0	26	-1.0	-36.28	254.63	3.87	-32.41
CC(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638536	1	26	-1.0	-36.26	254.68	3.87	-32.39
CCC(O)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638537	0	33	-1.0	-36.69	295.03	2.75	-33.94
CCC(O)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638537	1	33	-1.0	-36.68	295.07	2.77	-33.91
CC1CC1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638538	0	33	-1.0	-34.64	294.15	5.88	-28.76
CC1CC1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638538	1	33	-1.0	-34.65	294.18	5.88	-28.77
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(=O)N1	REAL250004638539	0	28	-1.0	-36.95	267.70	0.14	-36.81
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(=O)N1	REAL250004638539	1	28	-1.0	-36.91	267.75	0.14	-36.77
O=C(C#CC1CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638540	0	29	-1.0	-38.06	281.89	5.90	-32.16
O=C(C#CC1CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638540	1	29	-1.0	-38.12	281.93	5.90	-32.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC12CC2	REAL250004638541	0	31	-1.0	-35.57	285.81	5.92	-29.65
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC12CC2	REAL250004638541	1	31	-1.0	-35.59	285.85	5.93	-29.66
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1(F)CC1	REAL250004638542	0	27	-1.0	-35.93	259.67	4.51	-31.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1(F)CC1	REAL250004638542	1	27	-1.0	-35.96	259.71	4.52	-31.44
CC=C(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638543	0	27	-1.0	-37.10	260.35	4.34	-32.76
CC=C(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638543	1	27	-1.0	-37.05	260.40	4.36	-32.69
CCC=C(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638544	0	30	-1.0	-36.74	280.66	5.07	-31.67
CCC=C(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638544	1	30	-1.0	-36.98	281.71	5.10	-31.88
COC(OC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638545	0	31	-1.0	-39.75	280.84	2.62	-37.13
COC(OC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638545	1	31	-1.0	-39.75	280.91	2.61	-37.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CSC1	REAL250004638546	0	28	-1.0	-33.22	268.45	4.59	-28.63
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CSC1	REAL250004638546	1	28	-1.0	-33.21	268.49	4.60	-28.61
CCC(CO)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638547	0	33	-1.0	-39.02	288.73	2.07	-36.95
CCC(CO)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638547	1	33	-1.0	-39.03	288.76	2.08	-36.95
CCC(C#N)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638548	0	30	-1.0	-40.89	282.56	4.62	-36.27
CCC(C#N)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638548	1	30	-1.0	-40.85	282.61	4.62	-36.23
CC=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638549	0	31	-1.0	-34.23	285.92	3.03	-31.20
CC=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638549	1	31	-1.0	-34.25	285.97	3.02	-31.23
CCCC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638550	0	33	-1.0	-35.85	299.00	5.84	-30.01
CCCC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638550	1	33	-1.0	-35.86	299.05	5.85	-30.01
C[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C	REAL250004638551	0	34	-1.0	-34.86	287.30	2.35	-32.51
C[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C	REAL250004638551	1	34	-1.0	-34.85	287.34	2.34	-32.51
CC(CF)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638552	0	29	-1.0	-33.45	268.44	4.47	-28.98
CC(CF)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638552	1	29	-1.0	-33.45	268.48	4.46	-28.99
C[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C	REAL250004638553	0	34	-1.0	-35.20	288.62	2.42	-32.78
C[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C	REAL250004638553	1	34	-1.0	-35.21	288.66	2.42	-32.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1C[C@@H](O)C1	REAL250004638554	0	31	-1.0	-36.81	281.01	1.55	-35.26
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1C[C@@H](O)C1	REAL250004638554	1	31	-1.0	-37.58	280.03	1.52	-36.06
CC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638555	0	27	-1.0	-36.18	256.42	4.31	-31.87
CC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638555	1	27	-1.0	-36.18	256.46	4.31	-31.87
CCC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638556	0	30	-1.0	-35.92	277.51	5.07	-30.85
CCC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638556	1	30	-1.0	-35.91	277.55	5.07	-30.84
NC(=O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638557	0	24	-1.0	-39.41	238.18	-0.99	-40.40
NC(=O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638557	1	24	-1.0	-39.39	238.23	-0.99	-40.38
CC(Cl)=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638558	0	27	-1.0	-36.10	268.69	4.82	-31.28
CC(Cl)=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638558	1	27	-1.0	-36.08	268.73	4.82	-31.26
C=C1CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638559	0	28	-1.0	-36.02	266.93	5.03	-30.99
C=C1CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638559	1	28	-1.0	-36.01	266.98	5.03	-30.98
NC(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638560	0	30	-1.0	-40.17	280.54	0.52	-39.65
NC(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638560	1	30	-1.0	-40.17	280.58	0.52	-39.65
COCC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638561	0	31	-1.0	-36.93	289.76	3.34	-33.59
COCC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638561	1	31	-1.0	-36.89	289.82	3.35	-33.54
C=CC=CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638562	0	31	-1.0	-35.14	291.02	5.65	-29.49
C=CC=CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638562	1	31	-1.0	-35.09	291.06	5.66	-29.43
O=C(COC1CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638563	0	31	-1.0	-36.50	286.77	4.67	-31.83
O=C(COC1CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638563	1	31	-1.0	-36.49	286.82	4.67	-31.82
C=C(CC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638564	0	30	-1.0	-36.49	274.44	4.95	-31.54
C=C(CC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638564	1	30	-1.0	-36.49	274.49	4.95	-31.54
CCC[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638565	0	33	-1.0	-34.92	295.35	3.04	-31.88
CCC[C@H](O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638565	1	33	-1.0	-33.74	294.37	3.02	-30.72
CCOC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638566	0	31	-1.0	-38.30	289.48	3.92	-34.38
CCOC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638566	1	31	-1.0	-38.29	289.52	3.94	-34.35
O=C(C=CCO)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638567	0	28	-1.0	-38.20	267.52	0.95	-37.25
O=C(C=CCO)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638567	1	28	-1.0	-38.17	267.56	0.95	-37.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC1F	REAL250004638568	0	30	-1.0	-36.64	276.20	5.06	-31.58
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1F	REAL250004638568	1	30	-1.0	-36.59	276.25	5.06	-31.53
C=C(CCC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638569	0	33	-1.0	-36.73	295.94	5.72	-31.01
C=C(CCC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638569	1	33	-1.0	-36.71	295.98	5.73	-30.98
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1CF	REAL250004638570	0	30	-1.0	-38.33	280.38	5.24	-33.09
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1CF	REAL250004638570	1	30	-1.0	-38.30	280.42	5.24	-33.06
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638571	0	28	-1.0	-35.34	273.33	4.85	-30.49
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638571	1	28	-1.0	-35.33	273.37	4.86	-30.47
N#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638572	0	28	-1.0	-41.17	269.31	4.74	-36.43
N#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638572	1	28	-1.0	-41.14	269.35	4.74	-36.40
C=C(C)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638573	0	33	-1.0	-34.66	298.78	5.67	-28.99
C=C(C)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638573	1	33	-1.0	-34.61	298.82	5.68	-28.93
CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)=C1CC1	REAL250004638574	0	31	-1.0	-37.10	285.55	5.93	-31.17
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)=C1CC1	REAL250004638574	1	31	-1.0	-37.05	285.58	5.94	-31.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(F)C1	REAL250004638575	0	30	-1.0	-35.70	275.14	5.03	-30.67
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(F)C1	REAL250004638575	1	30	-1.0	-35.65	275.18	5.04	-30.61
CCC(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638576	0	29	-1.0	-35.24	269.65	4.46	-30.78
CCC(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638576	1	29	-1.0	-35.26	269.69	4.47	-30.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CN1	REAL250004638577	0	27	-1.0	-42.68	261.32	2.72	-39.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CN1	REAL250004638577	1	27	-1.0	-42.67	261.37	2.73	-39.94
C=C(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)C	REAL250004638578	0	33	-1.0	-36.36	280.44	6.07	-30.29
C=C(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)C	REAL250004638578	1	33	-1.0	-36.37	280.45	6.07	-30.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1F	REAL250004638579	0	27	-1.0	-33.72	259.13	4.53	-29.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1F	REAL250004638579	1	27	-1.0	-33.74	259.17	4.53	-29.21
O=C(C=CC1CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638580	0	31	-1.0	-35.93	288.36	5.88	-30.05
O=C(C=CC1CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638580	1	31	-1.0	-35.88	288.41	5.88	-30.00
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1C=CCC1	REAL250004638581	0	31	-1.0	-35.83	278.46	5.46	-30.37
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C=CCC1	REAL250004638581	1	31	-1.0	-35.88	278.51	5.47	-30.41
CCCC(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638582	0	33	-1.0	-33.73	295.95	3.05	-30.68
CCCC(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638582	1	33	-1.0	-33.73	295.98	3.05	-30.68
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638583	0	30	-1.0	-35.20	273.71	5.10	-30.10
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638583	1	30	-1.0	-35.21	273.76	5.11	-30.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1(O)CC1	REAL250004638584	0	28	-1.0	-35.30	261.66	1.38	-33.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1(O)CC1	REAL250004638584	1	28	-1.0	-35.27	261.70	1.38	-33.89
CN(C)C(=O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638585	0	30	-1.0	-40.81	275.94	2.49	-38.32
CN(C)C(=O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638585	1	30	-1.0	-40.77	275.99	2.49	-38.28
CCSCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638586	0	30	-1.0	-35.53	287.39	5.01	-30.52
CCSCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638586	1	30	-1.0	-35.50	287.43	5.01	-30.49
CO[C@H](C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638587	0	30	-1.0	-35.96	275.68	3.65	-32.31
CO[C@H](C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638587	1	30	-1.0	-35.96	275.72	3.65	-32.31
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1CC1(F)F	REAL250004638588	0	27	-1.0	-37.91	265.34	4.59	-33.32
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1CC1(F)F	REAL250004638588	1	27	-1.0	-37.94	265.38	4.59	-33.35
C[C@H]1C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)[C@H]1C	REAL250004638589	0	33	-1.0	-35.59	290.13	5.64	-29.95
C[C@H]1C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)[C@H]1C	REAL250004638589	1	33	-1.0	-35.50	290.17	5.64	-29.86
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CC1(F)F	REAL250004638590	0	27	-1.0	-34.52	264.84	4.65	-29.87
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CC1(F)F	REAL250004638590	1	27	-1.0	-34.50	264.88	4.65	-29.85
[N-]=[N+]=NCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638591	0	25	-1.0	-33.86	251.97	-0.35	-34.21
[N-]=[N+]=NCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638591	1	25	-1.0	-33.84	252.01	-0.35	-34.19
[N-]=[N+]=NCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638592	0	28	-1.0	-33.87	273.00	0.31	-33.56
[N-]=[N+]=NCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638592	1	28	-1.0	-33.85	273.04	0.31	-33.54
C#CCOCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638593	0	29	-1.0	-38.28	283.22	4.46	-33.82
C#CCOCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638593	1	29	-1.0	-38.21	283.26	4.46	-33.75
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL250004638594	0	29	-1.0	-37.02	275.20	5.60	-31.42
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638594	1	29	-1.0	-37.01	275.25	5.61	-31.40
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1CC(=O)N1	REAL250004638595	0	28	-1.0	-36.95	266.29	0.01	-36.94
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1CC(=O)N1	REAL250004638595	1	28	-1.0	-36.88	266.33	0.01	-36.87
O=C(CCCC1=N[N-]N=N1)N[C@@H](CO)C(F)(F)F	REAL250004638596	0	29	-1.0	-49.10	263.43	-1.42	-50.52
O=C(CCCC1=NN=N[N-]1)N[C@@H](CO)C(F)(F)F	REAL250004638596	1	29	-1.0	-49.12	263.49	-1.40	-50.52
O=C(CCCC1=N[N-]N=N1)N1CCN(CCF)CC1	REAL250004638597	0	37	-1.0	-47.65	296.51	1.90	-45.75
O=C(CCCC1=NN=N[N-]1)N1CCN(CCF)CC1	REAL250004638597	1	37	-1.0	-47.71	296.57	1.91	-45.80
CCOC(=O)C(O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638598	0	38	-1.0	-48.03	322.97	0.68	-47.35
CCOC(=O)C(O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638598	1	38	-1.0	-48.05	323.02	0.69	-47.36
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CO[C@H]1C1=CC=CC=C1	REAL250004638599	0	37	-1.0	-49.37	316.44	2.98	-46.39
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CO[C@H]1C1=CC=CC=C1	REAL250004638599	1	37	-1.0	-49.38	316.50	2.99	-46.39
CCC(O)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638601	0	38	-1.0	-52.11	311.02	2.56	-49.55
CCC(O)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638601	1	38	-1.0	-51.96	311.09	2.58	-49.38
CCC(O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638602	0	35	-1.0	-36.47	296.87	-0.54	-37.01
CCC(O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638602	1	35	-1.0	-36.42	296.93	-0.52	-36.94
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC=C1F	REAL250004638603	0	36	-1.0	-48.52	306.38	5.85	-42.67
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC=C1F	REAL250004638603	1	36	-1.0	-48.53	306.44	5.85	-42.68
CC1=NN2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004638604	0	36	-1.0	-53.01	296.11	4.50	-48.51
CC1=NN2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004638604	1	36	-1.0	-53.01	296.16	4.52	-48.49
CC1(OCCNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004638605	0	42	-1.0	-46.82	333.65	2.98	-43.84
CC1(OCCNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004638605	1	42	-1.0	-46.83	333.71	2.99	-43.84
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CC=C1Cl	REAL250004638606	0	31	-1.0	-48.81	288.17	2.04	-46.77
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CC=C1Cl	REAL250004638606	1	31	-1.0	-48.80	288.22	2.06	-46.74
O=C(CCCC1=N[N-]N=N1)NC[C@@]1(O)C[C@H]2CC[C@@H]1C2	REAL250004638607	0	40	-1.0	-45.83	312.24	0.72	-45.11
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(O)C[C@H]2CC[C@@H]1C2	REAL250004638607	1	40	-1.0	-45.85	312.30	0.74	-45.11
O=C(CCCC1=NN=N[N-]1)NC1CC(N2C=NN=C2)C1	REAL250004638608	0	35	-1.0	-53.60	299.75	4.64	-48.96
O=C(CCCC1=N[N-]N=N1)NC1CC(N2C=NN=C2)C1	REAL250004638608	1	35	-1.0	-53.57	299.69	4.62	-48.95
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NNC=C2)C1	REAL250004638609	0	36	-1.0	-52.96	300.68	2.72	-50.24
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NNC=C2)C1	REAL250004638609	1	36	-1.0	-53.02	300.74	2.73	-50.29
O=C(CCCC1=N[N-]N=N1)N1C2=CC=NC=C2N2CCC1C2	REAL250004638610	0	38	-1.0	-48.70	302.93	2.39	-46.31
O=C(CCCC1=NN=N[N-]1)N1C2=CC=NC=C2N2CCC1C2	REAL250004638610	1	38	-1.0	-48.73	302.99	2.41	-46.32
O=C(NCC1=NON=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638611	0	30	-1.0	-51.91	275.04	2.42	-49.49
O=C(NCC1=NON=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638611	1	30	-1.0	-51.67	275.14	2.42	-49.25
O=C(NCC1=NON=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638612	0	27	-1.0	-39.97	261.31	-0.72	-40.69
O=C(NCC1=NON=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638612	1	27	-1.0	-39.92	261.38	-0.72	-40.64
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=N1	REAL250004638613	0	33	-1.0	-49.68	288.61	1.56	-48.12
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=N1	REAL250004638613	1	33	-1.0	-49.67	288.66	1.58	-48.09
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CC=N1	REAL250004638614	0	33	-1.0	-39.20	299.17	1.37	-37.83
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CC=N1	REAL250004638614	1	33	-1.0	-39.18	299.24	1.39	-37.79
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NNN=C2)C1	REAL250004638615	0	38	-1.0	-52.69	309.70	2.16	-50.53
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NNN=C2)C1	REAL250004638615	1	38	-1.0	-52.67	309.75	2.18	-50.49
CON(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638616	0	41	-1.0	-48.60	324.08	2.70	-45.90
CON(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638616	1	41	-1.0	-48.58	324.14	2.71	-45.87
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1COC1	REAL250004638617	0	33	-1.0	-40.83	272.64	3.53	-37.30
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1COC1	REAL250004638617	1	33	-1.0	-40.69	272.73	3.55	-37.14
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1COC1	REAL250004638618	0	30	-1.0	-35.46	257.07	1.04	-34.42
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1COC1	REAL250004638618	1	30	-1.0	-35.44	257.14	1.07	-34.37
CC(C)(CCCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004638619	0	38	-1.0	-48.71	300.14	-0.31	-49.02
CC(C)(CCCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004638619	1	38	-1.0	-48.70	300.20	-0.30	-49.00
CC(C)(CCCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638620	0	38	-1.0	-37.02	310.72	-0.52	-37.54
CC(C)(CCCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638620	1	38	-1.0	-36.98	310.79	-0.51	-37.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC(C2CC2)=NN1	REAL250004638621	0	36	-1.0	-46.67	310.68	1.92	-44.75
O=C(CCCC1=NN=N[N-]1)NCC1=CC(C2CC2)=NN1	REAL250004638621	1	36	-1.0	-46.66	310.74	1.93	-44.73
CC#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004638622	0	36	-1.0	-51.06	322.43	3.82	-47.24
CC#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004638622	1	36	-1.0	-51.08	322.49	3.83	-47.25
C#CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638623	0	34	-1.0	-55.95	292.36	3.82	-52.13
C#CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638623	1	34	-1.0	-56.64	292.00	3.95	-52.69
C#CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638624	0	31	-1.0	-37.39	279.85	1.43	-35.96
C#CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638624	1	31	-1.0	-37.34	279.92	1.43	-35.91
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCCC1	REAL250004638625	0	42	-1.0	-47.79	330.58	5.95	-41.84
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCCC1	REAL250004638625	1	42	-1.0	-47.81	330.63	5.97	-41.84
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCCCCC2)C1	REAL250004638626	0	45	-1.0	-47.31	341.60	6.26	-41.05
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCCCCC2)C1	REAL250004638626	1	45	-1.0	-47.33	341.66	6.27	-41.06
CC(O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004638627	0	38	-1.0	-46.45	299.78	-0.02	-46.47
CC(O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004638627	1	38	-1.0	-46.48	299.84	0.00	-46.48
CC(O)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638628	0	38	-1.0	-36.47	308.30	-0.10	-36.57
CC(O)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638628	1	38	-1.0	-36.45	308.36	-0.09	-36.54
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CC1	REAL250004638629	0	36	-1.0	-47.06	300.23	0.13	-46.93
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CC1	REAL250004638629	1	36	-1.0	-47.16	300.29	0.15	-47.01
O=C(NCC(CO)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638630	0	36	-1.0	-36.81	308.22	0.50	-36.31
O=C(NCC(CO)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638630	1	36	-1.0	-36.78	308.29	0.50	-36.28
CC1=CC=C(Cl)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638631	0	35	-1.0	-45.89	312.95	4.78	-41.11
CC1=CC=C(Cl)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638631	1	35	-1.0	-45.92	313.00	4.79	-41.13
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2CCCC21	REAL250004638632	0	39	-1.0	-39.26	302.51	7.04	-32.22
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2CCCC21	REAL250004638632	1	39	-1.0	-39.18	302.57	7.06	-32.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCCC21	REAL250004638633	0	36	-1.0	-36.43	291.99	5.03	-31.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCCC21	REAL250004638633	1	36	-1.0	-36.40	292.06	5.04	-31.36
CCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638634	0	38	-1.0	-48.12	301.65	5.03	-43.09
CCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638634	1	38	-1.0	-48.13	301.70	5.04	-43.09
CCCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638635	0	38	-1.0	-36.83	309.94	5.24	-31.59
CCCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638635	1	38	-1.0	-36.81	310.01	5.26	-31.55
COCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004638636	0	34	-1.0	-48.73	304.32	-1.99	-50.72
COCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004638636	1	34	-1.0	-48.77	304.37	-1.98	-50.75
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=NNC=C2C=C1	REAL250004638637	0	35	-1.0	-53.00	305.33	2.18	-50.82
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=NNC=C2C=C1	REAL250004638637	1	35	-1.0	-52.96	305.39	2.20	-50.76
CC(C)(CNC(N)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004638638	0	37	-1.0	-49.91	303.45	-2.31	-52.22
CC(C)(CNC(N)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004638638	1	37	-1.0	-49.91	303.51	-2.30	-52.21
CC(C)(C)C(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004638639	0	41	-1.0	-46.66	316.03	0.50	-46.16
CC(C)(C)C(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004638639	1	41	-1.0	-46.64	316.09	0.52	-46.12
O=C(NCC1(F)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638640	0	32	-1.0	-50.55	280.72	5.05	-45.50
O=C(NCC1(F)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638640	1	32	-1.0	-50.14	281.21	5.02	-45.12
O=C(NCC1(F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638641	0	29	-1.0	-36.33	267.00	1.92	-34.41
O=C(NCC1(F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638641	1	29	-1.0	-36.26	267.06	1.93	-34.33
O=C(CCCC1=NN=N[N-]1)N1CCCC(N2N=CC=N2)C1	REAL250004638642	0	38	-1.0	-52.31	312.64	2.95	-49.36
O=C(CCCC1=N[N-]N=N1)N1CCCC(N2N=CC=N2)C1	REAL250004638642	1	38	-1.0	-52.35	312.58	2.94	-49.41
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCO2)CC1	REAL250004638643	0	40	-1.0	-47.16	311.16	3.83	-43.33
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCO2)CC1	REAL250004638643	1	40	-1.0	-47.16	311.21	3.85	-43.31
C#CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638644	0	38	-1.0	-50.30	316.85	4.12	-46.18
C#CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638644	1	38	-1.0	-50.31	316.90	4.14	-46.17
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)CC1	REAL250004638645	0	36	-1.0	-48.61	282.93	1.57	-47.04
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)CC1	REAL250004638645	1	36	-1.0	-48.62	282.99	1.59	-47.03
O=C(CCCC1=N[N-]N=N1)NC1CCCC1C1=CC=CC=C1	REAL250004638646	0	42	-1.0	-48.55	333.94	6.92	-41.63
O=C(CCCC1=NN=N[N-]1)NC1CCCC1C1=CC=CC=C1	REAL250004638646	1	42	-1.0	-48.57	334.00	6.93	-41.64
CCCOC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638648	0	37	-1.0	-44.97	316.57	3.13	-41.84
CCCOC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638648	1	37	-1.0	-44.95	316.62	3.14	-41.81
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004638649	0	42	-1.0	-49.40	326.11	2.87	-46.53
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004638649	1	42	-1.0	-49.38	326.17	2.88	-46.50
CC(C)(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638650	0	45	-1.0	-46.53	328.65	2.75	-43.78
CC(C)(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638650	1	45	-1.0	-46.51	328.71	2.76	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1OC(=O)CC12CCC2	REAL250004638651	0	39	-1.0	-50.47	321.22	3.36	-47.11
O=C(CCCC1=NN=N[N-]1)NCC1OC(=O)CC12CCC2	REAL250004638651	1	39	-1.0	-50.44	321.28	3.38	-47.06
CS(=O)(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638652	0	34	-1.0	-58.19	305.56	-2.08	-60.27
CS(=O)(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638652	1	34	-1.0	-58.21	305.62	-2.07	-60.28
CC1=CNC(=O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638653	0	35	-1.0	-56.86	303.84	1.02	-55.84
CC1=CNC(=O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638653	1	35	-1.0	-56.85	303.89	1.04	-55.81
O=C(CCCC1=N[N-]N=N1)N1CC2CSCC(C2)C1	REAL250004638654	0	37	-1.0	-50.83	291.25	5.52	-45.31
O=C(CCCC1=NN=N[N-]1)N1CC2CSCC(C2)C1	REAL250004638654	1	37	-1.0	-50.85	291.30	5.53	-45.32
CO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1F	REAL250004638655	0	36	-1.0	-51.82	294.64	2.67	-49.15
CO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1F	REAL250004638655	1	36	-1.0	-51.88	294.69	2.69	-49.19
COC(=O)[C@@]1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638656	0	38	-1.0	-49.10	308.90	4.99	-44.11
COC(=O)[C@@]1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638656	1	38	-1.0	-49.11	308.96	5.01	-44.10
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCCC2=C1	REAL250004638657	0	33	-1.0	-51.76	278.72	2.88	-48.88
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCCC2=C1	REAL250004638657	1	33	-1.0	-51.75	278.77	2.90	-48.85
O=C(NC1=NN2CCCC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638658	0	33	-1.0	-41.39	289.28	2.67	-38.72
O=C(NC1=NN2CCCC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638658	1	33	-1.0	-41.39	289.35	2.69	-38.70
NC(=O)C1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638659	0	33	-1.0	-52.26	281.21	2.66	-49.60
NC(=O)C1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638659	1	33	-1.0	-52.15	281.27	2.67	-49.48
NC(=O)C1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638660	0	30	-1.0	-48.43	268.66	0.12	-48.31
NC(=O)C1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638660	1	30	-1.0	-48.40	268.73	0.12	-48.28
COC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004638661	0	37	-1.0	-55.25	306.95	4.87	-50.38
COC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004638661	1	37	-1.0	-55.29	307.00	4.88	-50.41
C[C@]12C[C@H]1CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL250004638662	0	36	-1.0	-54.39	295.07	6.64	-47.75
C[C@]12C[C@H]1CN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL250004638662	1	36	-1.0	-54.90	295.25	6.61	-48.29
C[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004638663	0	33	-1.0	-35.85	281.00	4.37	-31.48
C[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004638663	1	33	-1.0	-35.86	281.07	4.39	-31.47
COC1=CN=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638664	0	35	-1.0	-50.74	299.66	2.58	-48.16
COC1=CN=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638664	1	35	-1.0	-50.73	299.61	2.57	-48.16
COC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004638665	0	38	-1.0	-49.37	317.13	4.18	-45.19
COC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004638665	1	38	-1.0	-49.36	317.19	4.19	-45.17
CCCNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638666	0	38	-1.0	-47.16	319.20	0.57	-46.59
CCCNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638666	1	38	-1.0	-47.17	319.26	0.59	-46.58
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C1CCC1	REAL250004638667	0	42	-1.0	-46.05	340.75	5.87	-40.18
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C1CCC1	REAL250004638667	1	42	-1.0	-46.06	340.81	5.89	-40.17
O=C(CCCC1=N[N-]N=N1)NC1CCCN(C2CC2)C1=O	REAL250004638669	0	40	-1.0	-58.70	323.55	2.72	-55.98
O=C(CCCC1=NN=N[N-]1)NC1CCCN(C2CC2)C1=O	REAL250004638669	1	40	-1.0	-58.75	323.61	2.73	-56.02
C#CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004638670	0	41	-1.0	-47.69	329.49	4.60	-43.09
C#CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004638670	1	41	-1.0	-47.74	329.55	4.61	-43.13
O=C(CCCC1=N[N-]N=N1)N1CCCCC2(CCC2)C1	REAL250004638671	0	42	-1.0	-47.93	313.72	5.98	-41.95
O=C(CCCC1=NN=N[N-]1)N1CCCCC2(CCC2)C1	REAL250004638671	1	42	-1.0	-47.95	313.78	5.99	-41.96
O=C(NOCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638672	0	29	-1.0	-59.37	263.87	4.60	-54.77
O=C(NOCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638672	1	29	-1.0	-59.17	263.95	4.62	-54.55
O=C(NOCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638673	0	26	-1.0	-38.85	249.72	1.50	-37.35
O=C(NOCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638673	1	26	-1.0	-38.75	249.79	1.51	-37.24
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=N1	REAL250004638674	0	39	-1.0	-48.07	316.49	3.42	-44.65
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=N1	REAL250004638674	1	39	-1.0	-48.02	316.43	3.41	-44.61
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=NN1C	REAL250004638675	0	33	-1.0	-47.41	288.21	0.12	-47.29
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=NN1C	REAL250004638675	1	33	-1.0	-47.45	288.27	0.13	-47.32
CC1=NN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004638676	0	36	-1.0	-49.53	298.64	3.29	-46.24
CC1=NN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004638676	1	36	-1.0	-49.54	298.70	3.30	-46.24
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)SC=C2	REAL250004638677	0	33	-1.0	-46.18	286.09	4.86	-41.32
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)SC=C2	REAL250004638677	1	33	-1.0	-46.22	286.15	4.88	-41.34
CCC1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638678	0	44	-1.0	-46.69	331.90	4.77	-41.92
CCC1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638678	1	44	-1.0	-46.69	331.95	4.79	-41.90
C#CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004638679	0	40	-1.0	-47.12	321.28	6.39	-40.73
C#CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004638679	1	40	-1.0	-47.19	321.34	6.41	-40.78
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@@H]1N1C=CC=N1	REAL250004638680	0	37	-1.0	-49.04	307.86	1.05	-47.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@@H]1N1C=CC=N1	REAL250004638680	1	37	-1.0	-49.04	307.80	1.04	-48.00
C#CC1(O)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004638681	0	32	-1.0	-56.51	285.42	2.28	-54.23
C#CC1(O)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004638681	1	32	-1.0	-56.31	285.48	2.29	-54.02
C#CC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638682	0	29	-1.0	-37.91	273.01	-0.22	-38.13
C#CC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638682	1	29	-1.0	-37.87	273.08	-0.21	-38.08
CC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638683	0	36	-1.0	-48.71	278.14	2.65	-46.06
CC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638683	1	36	-1.0	-48.70	278.19	2.66	-46.04
CC1CCOCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638684	0	36	-1.0	-34.31	287.00	2.94	-31.37
CC1CCOCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638684	1	36	-1.0	-34.35	287.05	2.95	-31.40
CN1N=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C(F)F	REAL250004638685	0	31	-1.0	-59.23	284.30	1.74	-57.49
CN1N=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C(F)F	REAL250004638685	1	31	-1.0	-59.25	284.36	1.77	-57.48
CC1(C)C(C)(C)C1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638686	0	41	-1.0	-46.92	312.89	4.07	-42.85
CC1(C)C(C)(C)C1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638686	1	41	-1.0	-46.94	312.94	4.09	-42.85
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)[C@@H]2CCC[C@@H]21	REAL250004638687	0	42	-1.0	-47.40	319.18	5.55	-41.85
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)[C@@H]2CCC[C@@H]21	REAL250004638687	1	42	-1.0	-47.43	319.24	5.57	-41.86
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004638688	0	31	-1.0	-51.08	275.09	0.78	-50.30
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004638688	1	31	-1.0	-51.10	275.15	0.79	-50.31
CC1=NN=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N1	REAL250004638689	0	34	-1.0	-54.73	299.41	3.71	-51.02
CC1=NN=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N1	REAL250004638689	1	34	-1.0	-54.61	299.51	3.70	-50.91
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004638690	0	31	-1.0	-41.86	285.68	0.57	-41.29
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004638690	1	31	-1.0	-41.84	285.75	0.57	-41.27
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004638691	0	42	-1.0	-46.79	329.09	2.71	-44.08
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004638691	1	42	-1.0	-46.81	329.15	2.73	-44.08
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL250004638692	0	36	-1.0	-58.28	303.32	0.67	-57.61
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL250004638692	1	36	-1.0	-58.28	303.38	0.68	-57.60
CC(C)(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004638693	0	40	-1.0	-47.44	327.44	4.21	-43.23
CC(C)(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004638693	1	40	-1.0	-47.43	327.38	4.20	-43.23
C#CC1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638694	0	34	-1.0	-40.75	288.84	6.50	-34.25
C#CC1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638694	1	34	-1.0	-40.63	288.90	6.53	-34.10
C#CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638695	0	31	-1.0	-37.96	275.23	4.29	-33.67
C#CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638695	1	31	-1.0	-37.99	275.30	4.29	-33.70
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC(Cl)=C2C1	REAL250004638696	0	33	-1.0	-46.30	298.28	5.50	-40.80
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(Cl)=C2C1	REAL250004638696	1	33	-1.0	-46.30	298.34	5.52	-40.78
CC1(C)CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)CO1	REAL250004638697	0	43	-1.0	-47.23	343.02	3.18	-44.05
CC1(C)CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)CO1	REAL250004638697	1	43	-1.0	-47.26	343.07	3.19	-44.07
O=C(CCCC1=N[N-]N=N1)NC[C@]12C[C@H]1COC21CCC1	REAL250004638698	0	41	-1.0	-46.26	326.81	3.28	-42.98
O=C(CCCC1=NN=N[N-]1)NC[C@]12C[C@H]1COC21CCC1	REAL250004638698	1	41	-1.0	-46.28	326.87	3.29	-42.99
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2[C@H](CCC2(F)F)C1	REAL250004638699	0	36	-1.0	-46.99	295.67	4.66	-42.33
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2[C@H](CCC2(F)F)C1	REAL250004638699	1	36	-1.0	-47.01	295.73	4.67	-42.34
C=CCCCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004638700	0	38	-1.0	-47.01	313.04	5.60	-41.41
C=CCCCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004638700	1	38	-1.0	-46.97	313.10	5.62	-41.35
C=CCCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638701	0	38	-1.0	-35.88	319.32	6.33	-29.55
C=CCCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638701	1	38	-1.0	-35.85	319.38	6.33	-29.52
CSCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638702	0	35	-1.0	-45.92	294.05	2.98	-42.94
CSCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638702	1	35	-1.0	-45.90	294.11	2.99	-42.91
CSCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638703	0	35	-1.0	-36.37	304.63	2.76	-33.61
CSCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638703	1	35	-1.0	-36.32	304.70	2.77	-33.55
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=N1	REAL250004638704	0	31	-1.0	-47.84	274.23	-1.16	-49.00
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=N1	REAL250004638704	1	31	-1.0	-47.85	274.29	-1.14	-48.99
CC1=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)OC=N1	REAL250004638705	0	34	-1.0	-52.29	298.55	1.77	-50.52
CC1=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)OC=N1	REAL250004638705	1	34	-1.0	-52.09	298.65	1.77	-50.32
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=N1	REAL250004638706	0	31	-1.0	-38.02	285.72	-1.32	-39.34
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=N1	REAL250004638706	1	31	-1.0	-38.02	285.79	-1.32	-39.34
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004638707	0	36	-1.0	-48.08	295.75	1.44	-46.64
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004638707	1	36	-1.0	-48.09	295.81	1.46	-46.63
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CO1	REAL250004638708	0	36	-1.0	-36.39	306.07	1.20	-35.19
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CO1	REAL250004638708	1	36	-1.0	-36.37	306.13	1.22	-35.15
C[C@@]12CSC[C@@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004638709	0	37	-1.0	-48.47	303.92	4.68	-43.79
C[C@@]12CSC[C@@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004638709	1	37	-1.0	-48.51	303.98	4.70	-43.81
CCO[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638710	0	36	-1.0	-56.14	309.60	4.12	-52.02
CCO[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638710	1	36	-1.0	-55.99	309.68	4.14	-51.85
CCO[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638711	0	33	-1.0	-36.33	295.44	1.02	-35.31
CCO[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638711	1	33	-1.0	-36.33	295.51	1.03	-35.30
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CSC1	REAL250004638712	0	33	-1.0	-52.59	280.41	5.60	-46.99
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CSC1	REAL250004638712	1	33	-1.0	-52.37	280.51	5.62	-46.75
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CSC1	REAL250004638713	0	30	-1.0	-34.98	266.06	3.49	-31.49
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CSC1	REAL250004638713	1	30	-1.0	-34.97	266.13	3.52	-31.45
NC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004638714	0	37	-1.0	-54.03	300.19	0.90	-53.13
NC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004638714	1	37	-1.0	-54.05	300.25	0.91	-53.14
CC(F)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638715	0	31	-1.0	-52.30	271.58	4.22	-48.08
CC(F)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638715	1	31	-1.0	-52.10	271.65	4.24	-47.86
CC(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638716	0	28	-1.0	-36.23	257.42	1.12	-35.11
CC(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638716	1	28	-1.0	-36.19	257.49	1.13	-35.06
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](CCO)CC1	REAL250004638717	0	42	-1.0	-49.92	331.92	1.06	-48.86
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](CCO)CC1	REAL250004638717	1	42	-1.0	-49.93	331.97	1.07	-48.86
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CC1CCC2	REAL250004638718	0	39	-1.0	-57.17	298.62	7.38	-49.79
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CC1CCC2	REAL250004638718	1	39	-1.0	-56.94	298.73	7.38	-49.56
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1CCC2	REAL250004638719	0	36	-1.0	-37.18	286.66	5.13	-32.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1CCC2	REAL250004638719	1	36	-1.0	-37.14	286.73	5.13	-32.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCC1	REAL250004638720	0	36	-1.0	-49.41	301.16	4.26	-45.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCC1	REAL250004638720	1	36	-1.0	-49.40	301.10	4.24	-45.16
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(CCF)C2	REAL250004638721	0	42	-1.0	-50.36	325.04	6.08	-44.28
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(CCF)C2	REAL250004638721	1	42	-1.0	-50.38	325.10	6.10	-44.28
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=COC=C2)C1	REAL250004638722	0	36	-1.0	-49.61	309.87	4.52	-45.09
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=COC=C2)C1	REAL250004638722	1	36	-1.0	-49.63	309.93	4.54	-45.09
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(Cl)=CC=C21	REAL250004638723	0	33	-1.0	-44.96	290.28	5.83	-39.13
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(Cl)=CC=C21	REAL250004638723	1	33	-1.0	-45.04	290.33	5.85	-39.19
O=C(NCC=CCl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638725	0	29	-1.0	-50.82	273.61	4.51	-46.31
O=C(NCC=CCl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638725	1	29	-1.0	-50.61	273.68	4.53	-46.08
O=C(NCC=CCl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638726	0	26	-1.0	-34.94	259.46	1.41	-33.53
O=C(NCC=CCl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638726	1	26	-1.0	-34.91	259.52	1.42	-33.49
CC1(C)OCC(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004638727	0	40	-1.0	-49.91	330.97	1.62	-48.29
CC1(C)OCC(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004638727	1	40	-1.0	-49.94	331.03	1.64	-48.30
CC1(C2CC2)COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638729	0	40	-1.0	-46.01	305.36	3.54	-42.47
CC1(C2CC2)COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638729	1	40	-1.0	-45.99	305.42	3.56	-42.43
COC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CN=C1F	REAL250004638730	0	32	-1.0	-45.07	286.33	1.06	-44.01
COC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CN=C1F	REAL250004638730	1	32	-1.0	-45.09	286.28	1.04	-44.05
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCC1	REAL250004638731	0	36	-1.0	-49.41	301.16	4.26	-45.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCC1	REAL250004638731	1	36	-1.0	-49.40	301.10	4.24	-45.16
C=C(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004638732	0	36	-1.0	-49.12	309.05	5.24	-43.88
C=C(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004638732	1	36	-1.0	-49.11	309.10	5.25	-43.86
O=C(CCCC1=N[N-]N=N1)NCCOC1CCSCC1	REAL250004638734	0	40	-1.0	-48.10	336.17	2.87	-45.23
O=C(CCCC1=NN=N[N-]1)NCCOC1CCSCC1	REAL250004638734	1	40	-1.0	-48.10	336.23	2.88	-45.22
COC(=O)C[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638735	0	41	-1.0	-51.98	336.66	3.91	-48.07
COC(=O)C[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638735	1	41	-1.0	-51.99	336.72	3.93	-48.06
CCC1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004638736	0	39	-1.0	-47.18	319.01	6.82	-40.36
CCC1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004638736	1	39	-1.0	-47.19	319.07	6.83	-40.36
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=NC=C1)C1CC1	REAL250004638737	0	38	-1.0	-47.01	313.71	4.51	-42.50
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=NC=C1)C1CC1	REAL250004638737	1	38	-1.0	-47.06	313.76	4.52	-42.54
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCOCC1	REAL250004638738	0	32	-1.0	-59.41	278.15	-0.72	-60.13
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCOCC1	REAL250004638738	1	32	-1.0	-59.46	278.21	-0.70	-60.16
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C[C@H](NC(=O)CCCC1=NN=N[N-]1)[C@H]1COC(C)(C)O1	REAL250004638761	1	40	-1.0	-45.69	325.14	1.60	-44.09
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NC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004638771	1	42	-1.0	-45.38	322.59	1.44	-43.94
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CCCCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004638783	1	38	-1.0	-35.90	324.23	4.06	-31.84
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COC[C@@H](O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638796	1	36	-1.0	-51.91	309.43	0.18	-51.73
COC[C@@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638797	0	33	-1.0	-37.96	295.55	-2.94	-40.90
COC[C@@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638797	1	33	-1.0	-37.98	295.62	-2.93	-40.91
O=C(CCCC1=N[N-]N=N1)NC1COCC1C1CC1	REAL250004638798	0	37	-1.0	-47.41	302.72	2.71	-44.70
O=C(CCCC1=NN=N[N-]1)NC1COCC1C1CC1	REAL250004638798	1	37	-1.0	-47.50	302.78	2.72	-44.78
CCC1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638799	0	39	-1.0	-59.86	302.70	1.41	-58.45
CCC1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638799	1	39	-1.0	-59.81	302.75	1.42	-58.39
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)C12CC2	REAL250004638800	0	37	-1.0	-54.88	299.54	2.30	-52.58
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)C12CC2	REAL250004638800	1	37	-1.0	-54.94	299.60	2.31	-52.63
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2COC2)CC1	REAL250004638801	0	41	-1.0	-49.34	329.05	2.16	-47.18
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2COC2)CC1	REAL250004638801	1	41	-1.0	-49.35	329.11	2.18	-47.17
O=C(NC1CC2CCCC21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638802	0	39	-1.0	-52.56	309.22	6.75	-45.81
O=C(NC1CC2CCCC21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638802	1	39	-1.0	-52.37	309.31	6.76	-45.61
O=C(NC1CC2CCCC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638803	0	36	-1.0	-34.85	295.45	3.62	-31.23
O=C(NC1CC2CCCC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638803	1	36	-1.0	-34.82	295.52	3.62	-31.20
CSC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638804	0	33	-1.0	-46.71	290.46	3.07	-43.64
CSC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638804	1	33	-1.0	-46.74	290.52	3.08	-43.66
CSC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638805	0	33	-1.0	-34.97	300.99	2.87	-32.10
CSC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638805	1	33	-1.0	-34.99	301.05	2.88	-32.11
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCCO2)CCC1	REAL250004638806	0	43	-1.0	-45.51	338.13	3.41	-42.10
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCCO2)CCC1	REAL250004638806	1	43	-1.0	-45.54	338.18	3.43	-42.11
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CC1	REAL250004638807	0	36	-1.0	-49.31	304.03	0.27	-49.04
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CC1	REAL250004638807	1	36	-1.0	-49.33	304.09	0.29	-49.04
O=C(NCCC(O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638808	0	36	-1.0	-36.65	314.62	0.07	-36.58
O=C(NCCC(O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638808	1	36	-1.0	-36.67	314.69	0.08	-36.59
CCOC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004638809	0	37	-1.0	-47.66	308.87	4.19	-43.47
CCOC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004638809	1	37	-1.0	-47.67	308.92	4.21	-43.46
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC2=CC=CC=C2[C@H]1O	REAL250004638810	0	37	-1.0	-49.31	313.65	1.36	-47.95
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC2=CC=CC=C2[C@H]1O	REAL250004638810	1	37	-1.0	-49.31	313.70	1.38	-47.93
CCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004638811	0	37	-1.0	-50.16	315.83	3.21	-46.95
CCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004638811	1	37	-1.0	-50.26	315.89	3.23	-47.03
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1OC2	REAL250004638812	0	40	-1.0	-49.28	305.73	2.34	-46.94
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1OC2	REAL250004638812	1	40	-1.0	-49.28	305.78	2.35	-46.93
O=C(CCCC1=N[N-]N=N1)NCC#CC1CCCCO1	REAL250004638813	0	38	-1.0	-46.66	321.95	3.01	-43.65
O=C(CCCC1=NN=N[N-]1)NCC#CC1CCCCO1	REAL250004638813	1	38	-1.0	-46.67	322.01	3.02	-43.65
CN(C[C@@H]1CCC(=O)N1)C(=O)CCCC1=N[N-]N=N1	REAL250004638814	0	36	-1.0	-49.38	296.93	1.45	-47.93
CN(C[C@@H]1CCC(=O)N1)C(=O)CCCC1=NN=N[N-]1	REAL250004638814	1	36	-1.0	-49.39	296.98	1.46	-47.93
CN1N=NN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004638816	0	36	-1.0	-54.68	312.24	1.01	-53.67
CN1N=NN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004638816	1	36	-1.0	-54.68	312.29	1.03	-53.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1O	REAL250004638817	0	33	-1.0	-48.63	305.07	1.22	-47.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1O	REAL250004638817	1	33	-1.0	-48.64	305.12	1.24	-47.40
CCC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004638818	0	39	-1.0	-50.75	320.37	7.00	-43.75
CCC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004638818	1	39	-1.0	-50.77	320.43	7.02	-43.75
CC(CC1=CC=CN=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004638819	0	37	-1.0	-51.74	313.92	3.49	-48.25
CC(CC1=CC=CN=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004638819	1	37	-1.0	-51.71	313.86	3.47	-48.24
CN1C=NC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004638820	0	35	-1.0	-56.75	305.47	5.66	-51.09
CN1C=NC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004638820	1	35	-1.0	-56.59	305.58	5.66	-50.93
CN1C=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004638821	0	32	-1.0	-40.87	291.75	2.53	-38.34
CN1C=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004638821	1	32	-1.0	-40.84	291.81	2.53	-38.31
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638822	0	39	-1.0	-53.65	316.15	6.88	-46.77
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638822	1	39	-1.0	-53.37	316.62	6.87	-46.50
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638823	0	36	-1.0	-35.24	302.49	3.76	-31.48
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638823	1	36	-1.0	-35.13	302.56	3.76	-31.37
COC(=O)[C@@H]1CC=C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638824	0	39	-1.0	-49.42	325.40	3.76	-45.66
COC(=O)[C@@H]1CC=C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638824	1	39	-1.0	-49.43	325.45	3.78	-45.65
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2C(=C1)CNC2=O	REAL250004638825	0	33	-1.0	-53.31	290.31	-0.98	-54.29
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2C(=C1)CNC2=O	REAL250004638825	1	33	-1.0	-53.30	290.37	-0.97	-54.27
CCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638826	0	31	-1.0	-54.49	274.14	5.34	-49.15
CCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638826	1	31	-1.0	-54.46	274.09	5.33	-49.13
CCN1C=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL250004638827	0	34	-1.0	-59.76	298.39	8.27	-51.49
CCN1C=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL250004638827	1	34	-1.0	-59.66	298.88	8.25	-51.41
CCN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004638828	0	31	-1.0	-43.19	284.72	5.16	-38.03
CCN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004638828	1	31	-1.0	-43.16	284.65	5.14	-38.02
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)OC	REAL250004638829	0	37	-1.0	-52.87	304.67	4.84	-48.03
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)OC	REAL250004638829	1	37	-1.0	-52.91	304.73	4.85	-48.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC1	REAL250004638830	0	33	-1.0	-49.87	285.02	3.71	-46.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC1	REAL250004638830	1	33	-1.0	-49.85	284.96	3.69	-46.16
O=C(NC1=CC=NN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638831	0	33	-1.0	-36.33	295.70	3.49	-32.84
O=C(NC1=CC=NN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638831	1	33	-1.0	-36.37	295.64	3.48	-32.89
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004638832	0	39	-1.0	-53.46	304.91	6.94	-46.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004638832	1	39	-1.0	-54.16	304.67	6.95	-47.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004638833	0	36	-1.0	-35.95	291.73	4.74	-31.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004638833	1	36	-1.0	-35.92	291.80	4.74	-31.18
O=C(CCCC1=N[N-]N=N1)NCC1=C(Cl)C=CS1	REAL250004638834	0	29	-1.0	-46.32	284.59	3.01	-43.31
O=C(CCCC1=NN=N[N-]1)NCC1=C(Cl)C=CS1	REAL250004638834	1	29	-1.0	-46.29	284.65	3.02	-43.27
CC12CCC(CN1C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL250004638835	0	39	-1.0	-56.23	302.84	7.13	-49.10
CC12CCC(CN1C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL250004638835	1	39	-1.0	-56.02	302.94	7.14	-48.88
CC12CCC(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004638836	0	36	-1.0	-37.23	291.01	4.81	-32.42
CC12CCC(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004638836	1	36	-1.0	-37.26	291.08	4.82	-32.44
C=C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004638837	0	33	-1.0	-53.97	276.58	5.80	-48.17
C=C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004638837	1	33	-1.0	-54.85	276.26	5.78	-49.07
C=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004638838	0	30	-1.0	-36.11	263.51	3.50	-32.61
C=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004638838	1	30	-1.0	-36.09	263.58	3.50	-32.59
COC1=CC(F)=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004638839	0	36	-1.0	-49.09	311.78	4.64	-44.45
COC1=CC(F)=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004638839	1	36	-1.0	-49.12	311.83	4.65	-44.47
O=C(CCCC1=N[N-]N=N1)NCC12CC(CO1)CCC2	REAL250004638840	0	40	-1.0	-46.34	310.33	2.47	-43.87
O=C(CCCC1=NN=N[N-]1)NCC12CC(CO1)CCC2	REAL250004638840	1	40	-1.0	-46.35	310.39	2.48	-43.87
CC1(OCCNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004638841	0	43	-1.0	-47.96	339.82	1.25	-46.71
CC1(OCCNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004638841	1	43	-1.0	-47.96	339.88	1.26	-46.70
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004638842	0	35	-1.0	-47.68	301.09	3.51	-44.17
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004638842	1	35	-1.0	-47.67	301.15	3.53	-44.14
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004638843	0	39	-1.0	-48.96	326.84	2.02	-46.94
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004638843	1	39	-1.0	-49.00	326.90	2.04	-46.96
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H](CO)C1	REAL250004638844	0	34	-1.0	-49.19	280.59	-1.18	-50.37
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H](CO)C1	REAL250004638844	1	34	-1.0	-49.20	280.65	-1.17	-50.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCO[C@H](CO)C1	REAL250004638845	0	34	-1.0	-36.96	288.07	-0.96	-37.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCO[C@H](CO)C1	REAL250004638845	1	34	-1.0	-36.92	288.14	-0.93	-37.85
CC(C)(C)N1C=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004638846	0	38	-1.0	-55.77	307.68	6.38	-49.39
CC(C)(C)N1C=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004638846	1	38	-1.0	-55.75	307.63	6.37	-49.38
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004638847	0	33	-1.0	-47.35	287.75	0.86	-46.49
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004638847	1	33	-1.0	-47.36	287.81	0.87	-46.49
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CC=N1	REAL250004638848	0	33	-1.0	-38.17	298.33	0.65	-37.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004638848	1	33	-1.0	-38.18	298.40	0.66	-37.52
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCOCC2)CC1	REAL250004638849	0	43	-1.0	-48.08	335.91	3.54	-44.54
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCOCC2)CC1	REAL250004638849	1	43	-1.0	-48.14	335.97	3.56	-44.58
O=C(CCCC1=NN=N[N-]1)NC1=NN(C(F)F)C=C1	REAL250004638850	0	29	-1.0	-47.42	268.46	2.29	-45.13
O=C(CCCC1=N[N-]N=N1)NC1=NN(C(F)F)C=C1	REAL250004638850	1	29	-1.0	-47.43	268.40	2.27	-45.16
COCCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638851	0	35	-1.0	-53.50	307.82	4.39	-49.11
COCCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638851	1	35	-1.0	-53.56	307.76	4.38	-49.18
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCCC1	REAL250004638852	0	42	-1.0	-50.19	323.33	6.08	-44.11
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCCC1	REAL250004638852	1	42	-1.0	-50.21	323.39	6.08	-44.13
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCOCC1	REAL250004638853	0	40	-1.0	-49.13	311.23	3.71	-45.42
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCOCC1	REAL250004638853	1	40	-1.0	-49.16	311.29	3.72	-45.44
CCCCN(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638854	0	39	-1.0	-54.45	324.07	5.76	-48.69
CCCCN(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638854	1	39	-1.0	-54.24	324.14	5.78	-48.46
CCCCN(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638855	0	36	-1.0	-36.33	309.92	2.70	-33.63
CCCCN(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638855	1	36	-1.0	-36.28	309.98	2.71	-33.57
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C(F)(F)F	REAL250004638856	0	28	-1.0	-44.05	271.00	1.81	-42.24
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C(F)(F)F	REAL250004638856	1	28	-1.0	-44.08	271.06	1.82	-42.26
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1CC1	REAL250004638857	0	42	-1.0	-48.48	343.82	7.87	-40.61
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1CC1	REAL250004638857	1	42	-1.0	-48.50	343.87	7.89	-40.61
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638858	0	44	-1.0	-47.20	322.65	4.33	-42.87
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638858	1	44	-1.0	-47.27	322.71	4.34	-42.93
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCCC2)O1	REAL250004638859	0	35	-1.0	-51.10	293.95	2.34	-48.76
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCCC2)O1	REAL250004638859	1	35	-1.0	-51.09	294.00	2.36	-48.73
CC(C)CC1=COC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004638860	0	37	-1.0	-49.59	314.46	2.35	-47.24
CC(C)CC1=COC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004638860	1	37	-1.0	-49.59	314.52	2.37	-47.22
CCC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004638861	0	40	-1.0	-46.16	309.48	3.60	-42.56
CCC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004638861	1	40	-1.0	-46.16	309.53	3.62	-42.54
CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004638862	0	40	-1.0	-34.86	316.39	4.23	-30.63
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004638862	1	40	-1.0	-34.85	316.46	4.23	-30.62
O=C(CCCC1=N[N-]N=N1)N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL250004638863	0	38	-1.0	-52.25	316.85	-1.76	-54.01
O=C(CCCC1=NN=N[N-]1)N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL250004638863	1	38	-1.0	-52.26	316.91	-1.74	-54.00
O=C(CCCC1=N[N-]N=N1)N1CC23CCC2(COC3)C1	REAL250004638864	0	38	-1.0	-47.76	302.48	2.99	-44.77
O=C(CCCC1=NN=N[N-]1)N1CC23CCC2(COC3)C1	REAL250004638864	1	38	-1.0	-47.76	302.54	3.00	-44.76
O=C(CCCC1=NN=N[N-]1)NC1=CN2N=CC=C2N=C1	REAL250004638865	0	31	-1.0	-51.47	278.20	2.24	-49.23
O=C(CCCC1=N[N-]N=N1)NC1=CN2N=CC=C2N=C1	REAL250004638865	1	31	-1.0	-51.43	278.14	2.23	-49.20
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004638866	0	37	-1.0	-48.48	306.81	1.44	-47.04
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004638866	1	37	-1.0	-48.51	306.87	1.45	-47.06
CC1=NNC(C)=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638867	0	35	-1.0	-56.02	298.02	3.81	-52.21
CC1=NNC(C)=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638867	1	35	-1.0	-55.83	298.11	3.82	-52.01
CC1=NNC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638868	0	32	-1.0	-38.28	288.36	0.69	-37.59
CC1=NNC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638868	1	32	-1.0	-38.30	288.31	0.68	-37.62
C=CCN(CCC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638869	0	38	-1.0	-51.87	309.93	7.14	-44.73
C=CCN(CCC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004638869	1	38	-1.0	-52.37	309.18	7.28	-45.09
C=CCN(CCC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004638870	0	35	-1.0	-35.95	298.66	5.49	-30.46
C=CCN(CCC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638870	1	35	-1.0	-35.95	298.72	5.50	-30.45
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H](C(F)(F)F)C1	REAL250004638871	0	33	-1.0	-47.60	287.33	2.35	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H](C(F)(F)F)C1	REAL250004638871	1	33	-1.0	-47.56	287.39	2.37	-45.19
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H](C(F)(F)F)C1	REAL250004638872	0	33	-1.0	-47.57	287.27	2.32	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H](C(F)(F)F)C1	REAL250004638872	1	33	-1.0	-47.55	287.33	2.34	-45.21
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C	REAL250004638873	0	40	-1.0	-52.97	315.05	6.15	-46.82
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C	REAL250004638873	1	40	-1.0	-52.81	315.12	6.17	-46.64
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004638874	0	37	-1.0	-35.12	300.89	3.05	-32.07
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004638874	1	37	-1.0	-35.11	300.96	3.07	-32.04
CC1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=C1	REAL250004638876	0	37	-1.0	-52.43	305.47	4.76	-47.67
CC1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=C1	REAL250004638876	1	37	-1.0	-52.41	305.41	4.74	-47.67
CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638877	0	34	-1.0	-55.36	297.76	-2.19	-57.55
CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638877	1	34	-1.0	-55.35	297.82	-2.17	-57.52
CC1=NNC(C)=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638878	0	39	-1.0	-51.63	321.19	3.03	-48.60
CC1=NNC(C)=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638878	1	39	-1.0	-51.57	321.14	3.00	-48.57
O=C(C1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638879	0	37	-1.0	-54.05	296.27	5.45	-48.60
O=C(C1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638879	1	37	-1.0	-54.05	296.33	5.48	-48.57
O=C(CCC1=CC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638880	0	33	-1.0	-51.29	290.88	4.57	-46.72
O=C(CCC1=CC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638880	1	33	-1.0	-51.32	290.94	4.59	-46.73
O=C(COCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638881	0	37	-1.0	-57.21	313.70	5.09	-52.12
O=C(COCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638881	1	37	-1.0	-57.21	313.76	5.11	-52.10
CCC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638882	0	42	-1.0	-51.44	343.54	6.92	-44.52
CCC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638882	1	42	-1.0	-51.46	343.59	6.94	-44.52
O=C(CCC1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638883	0	36	-1.0	-52.17	306.10	5.51	-46.66
O=C(CCC1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638883	1	36	-1.0	-52.19	306.16	5.53	-46.66
O=C(C1=CC=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638884	0	30	-1.0	-38.58	251.50	3.14	-35.44
O=C(C1=CC=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638884	1	30	-1.0	-38.57	251.56	3.13	-35.44
O=C(C1=CC=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638885	0	36	-1.0	-57.40	295.64	5.83	-51.57
O=C(C1=CC=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638885	1	36	-1.0	-57.37	295.59	5.81	-51.56
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638886	0	33	-1.0	-54.17	272.19	4.24	-49.93
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638886	1	33	-1.0	-54.16	272.13	4.22	-49.94
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638887	0	29	-1.0	-45.67	266.35	2.67	-43.00
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638887	1	29	-1.0	-45.70	266.41	2.69	-43.01
O=C(C1=CC=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638888	0	30	-1.0	-54.54	266.34	4.04	-50.50
O=C(C1=CC=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638888	1	30	-1.0	-54.55	266.40	4.06	-50.49
CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004638889	0	34	-1.0	-53.17	292.68	4.17	-49.00
CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004638889	1	34	-1.0	-53.18	292.74	4.19	-48.99
O=C(CNC(=O)C1=CC=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638890	0	34	-1.0	-51.64	297.84	0.46	-51.18
O=C(CNC(=O)C1=CC=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638890	1	34	-1.0	-51.67	297.90	0.48	-51.19
O=C(C1CC2C=CC1C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638891	0	35	-1.0	-52.82	273.58	4.27	-48.55
O=C(C1CC2C=CC1C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638891	1	35	-1.0	-52.81	273.64	4.30	-48.51
CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638892	0	36	-1.0	-52.86	296.00	5.15	-47.71
CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638892	1	36	-1.0	-52.85	296.06	5.18	-47.67
O=C(C1=COCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638893	0	30	-1.0	-44.13	243.26	0.64	-43.49
O=C(C1=COCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638893	1	30	-1.0	-44.15	243.32	0.63	-43.52
O=C(C1=CC=C(F)C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638894	0	30	-1.0	-37.07	264.01	3.65	-33.42
O=C(C1=CC=C(F)C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638894	1	30	-1.0	-37.07	264.07	3.66	-33.41
O=C(C1=CNC(=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638895	0	30	-1.0	-41.96	248.30	-0.00	-41.96
O=C(C1=CNC(=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638895	1	30	-1.0	-41.96	248.37	0.02	-41.94
O=C(CSC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638896	0	33	-1.0	-53.27	292.88	3.39	-49.88
O=C(CSC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638896	1	33	-1.0	-53.27	292.94	3.41	-49.86
CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638897	0	37	-1.0	-57.19	309.58	5.26	-51.93
CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638897	1	37	-1.0	-57.21	309.63	5.29	-51.92
CC1=NOC(C)=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638898	0	38	-1.0	-51.69	317.99	4.24	-47.45
CC1=NOC(C)=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638898	1	38	-1.0	-51.65	318.05	4.26	-47.39
O=C(CN1C=CC=CC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638899	0	33	-1.0	-56.58	283.44	3.25	-53.33
O=C(CN1C=CC=CC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638899	1	33	-1.0	-56.61	283.50	3.28	-53.33
CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638900	0	37	-1.0	-53.63	309.64	5.83	-47.80
CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638900	1	37	-1.0	-53.62	309.70	5.85	-47.77
CC(C)CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638901	0	42	-1.0	-53.39	331.82	6.23	-47.16
CC(C)CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638901	1	42	-1.0	-53.45	331.88	6.26	-47.19
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638902	0	37	-1.0	-53.84	305.76	3.28	-50.56
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638902	1	37	-1.0	-53.80	305.82	3.30	-50.50
O=C(CC1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638903	0	40	-1.0	-54.40	324.77	6.58	-47.82
O=C(CC1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638903	1	40	-1.0	-54.39	324.83	6.60	-47.79
O=C(C1=CC=CN=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638904	0	29	-1.0	-54.98	260.43	2.23	-52.75
O=C(C1=CC=CN=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638904	1	29	-1.0	-54.98	260.38	2.21	-52.77
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004638905	0	39	-1.0	-52.02	314.10	5.91	-46.11
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004638905	1	39	-1.0	-52.04	314.16	5.92	-46.12
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638906	0	34	-1.0	-53.25	290.79	4.53	-48.72
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638906	1	34	-1.0	-53.29	290.85	4.56	-48.73
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638907	0	34	-1.0	-56.49	285.82	0.36	-56.13
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638907	1	34	-1.0	-56.50	285.87	0.38	-56.12
O=C(CC1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638908	0	33	-1.0	-52.56	284.68	4.70	-47.86
O=C(CC1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638908	1	33	-1.0	-52.64	284.73	4.73	-47.91
CC1=CC=CC=C1OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638909	0	37	-1.0	-56.66	308.24	5.30	-51.36
CC1=CC=CC=C1OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638909	1	37	-1.0	-56.66	308.30	5.32	-51.34
O=C(CCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638910	0	36	-1.0	-51.60	300.64	5.47	-46.13
O=C(CCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638910	1	36	-1.0	-51.63	300.69	5.50	-46.13
O=C(CC1=CNC2=CC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638911	0	37	-1.0	-58.89	311.17	4.72	-54.17
O=C(CC1=CNC2=CC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638911	1	37	-1.0	-58.95	311.22	4.75	-54.20
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CSC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638940	1	34	-1.0	-56.99	289.70	4.56	-52.43
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CC(OC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638942	0	37	-1.0	-57.18	303.08	5.02	-52.16
CC(OC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638942	1	37	-1.0	-57.17	303.14	5.04	-52.13
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COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638944	0	37	-1.0	-56.42	308.78	3.97	-52.45
COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638944	1	37	-1.0	-56.40	308.84	3.99	-52.41
O=C(CCC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638945	0	42	-1.0	-52.02	321.45	5.63	-46.39
O=C(CCC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638945	1	42	-1.0	-52.06	321.50	5.66	-46.40
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CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638948	0	39	-1.0	-52.36	311.49	5.50	-46.86
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638948	1	39	-1.0	-52.34	311.54	5.52	-46.82
O=C(CC1=CC=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638949	0	33	-1.0	-50.97	293.17	5.09	-45.88
O=C(CC1=CC=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638949	1	33	-1.0	-50.94	293.22	5.11	-45.83
N#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638950	0	31	-1.0	-37.89	265.92	3.45	-34.44
N#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638950	1	31	-1.0	-37.90	265.98	3.44	-34.46
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004638951	0	38	-1.0	-50.39	320.88	5.30	-45.09
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004638951	1	38	-1.0	-50.41	320.94	5.32	-45.09
O=C(CC1=CC=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638952	0	33	-1.0	-54.58	285.69	4.74	-49.84
O=C(CC1=CC=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638952	1	33	-1.0	-54.59	285.74	4.76	-49.83
O=C(CC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638953	0	39	-1.0	-52.27	299.10	4.93	-47.34
O=C(CC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638953	1	39	-1.0	-52.25	299.16	4.96	-47.29
CC(=O)NC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638954	0	33	-1.0	-49.30	276.31	-0.03	-49.33
CC(=O)NC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638954	1	33	-1.0	-49.32	276.36	-0.01	-49.33
CC(NC(N)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638955	0	32	-1.0	-49.88	269.53	-2.81	-52.69
CC(NC(N)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638955	1	32	-1.0	-49.91	269.59	-2.79	-52.70
CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638956	0	37	-1.0	-52.98	301.99	3.77	-49.21
CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638956	1	37	-1.0	-52.99	302.05	3.80	-49.19
O=C(C1=CC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638957	0	33	-1.0	-52.10	282.88	4.45	-47.65
O=C(C1=CC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638957	1	33	-1.0	-52.08	282.82	4.42	-47.66
O=C(C1=NNC(=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638958	0	29	-1.0	-48.00	253.22	-0.31	-48.31
O=C(C1=NNC(=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638958	1	29	-1.0	-47.99	253.28	-0.29	-48.28
O=C(CC1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638959	0	33	-1.0	-52.02	285.66	4.74	-47.28
O=C(CC1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638959	1	33	-1.0	-51.99	285.71	4.76	-47.23
CC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004638960	0	31	-1.0	-53.32	264.94	1.48	-51.84
CC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004638960	1	31	-1.0	-53.29	264.99	1.50	-51.79
O=C(C1=CC=C(F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638961	0	30	-1.0	-38.61	256.03	3.21	-35.40
O=C(C1=CC=C(F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638961	1	30	-1.0	-38.61	256.09	3.21	-35.40
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O=C(CC1=CSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638962	1	30	-1.0	-51.95	269.31	3.63	-48.32
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638963	0	33	-1.0	-41.80	266.49	3.75	-38.05
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638963	1	33	-1.0	-41.83	266.42	3.75	-38.08
O=C(COC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638964	0	34	-1.0	-56.88	288.15	4.59	-52.29
O=C(COC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638964	1	34	-1.0	-56.92	288.20	4.61	-52.31
O=C(C1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638965	0	36	-1.0	-54.81	297.84	5.83	-48.98
O=C(C1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638965	1	36	-1.0	-54.82	297.78	5.81	-49.01
COC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638966	0	34	-1.0	-58.61	279.80	3.86	-54.75
COC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638966	1	34	-1.0	-58.60	279.86	3.87	-54.73
O=C(C1=NC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638967	0	35	-1.0	-54.76	294.81	4.88	-49.88
O=C(C1=NC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638967	1	35	-1.0	-54.77	294.76	4.86	-49.91
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638968	0	42	-1.0	-52.27	327.44	5.91	-46.36
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638968	1	42	-1.0	-52.28	327.50	5.92	-46.36
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638969	0	32	-1.0	-48.28	279.51	4.26	-44.02
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638969	1	32	-1.0	-48.32	279.57	4.27	-44.05
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=C1	REAL250004638970	0	30	-1.0	-52.63	258.36	3.15	-49.48
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=C1	REAL250004638970	1	30	-1.0	-52.65	258.42	3.17	-49.48
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004638971	0	30	-1.0	-52.80	264.04	3.39	-49.41
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004638971	1	30	-1.0	-52.81	264.10	3.41	-49.40
O=C(C1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638972	0	30	-1.0	-38.40	261.81	3.58	-34.82
O=C(C1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638972	1	30	-1.0	-38.44	261.88	3.58	-34.86
O=C(C=CC1=CC=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638973	0	31	-1.0	-53.26	270.77	3.34	-49.92
O=C(C=CC1=CC=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638973	1	31	-1.0	-53.32	270.83	3.37	-49.95
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638974	0	34	-1.0	-53.72	280.14	2.84	-50.88
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638974	1	34	-1.0	-53.73	280.19	2.86	-50.87
O=C(C1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638975	0	30	-1.0	-58.25	256.97	3.62	-54.63
O=C(C1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638975	1	30	-1.0	-58.25	257.03	3.63	-54.62
O=C(C1CCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638976	0	31	-1.0	-57.47	260.58	-0.50	-57.97
O=C(C1CCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638976	1	31	-1.0	-57.47	260.64	-0.49	-57.96
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638977	0	36	-1.0	-40.38	286.64	4.52	-35.86
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638977	1	36	-1.0	-41.69	294.14	4.69	-37.00
COC1=CC=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638978	0	38	-1.0	-55.86	317.70	4.46	-51.40
COC1=CC=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638978	1	38	-1.0	-55.81	317.76	4.48	-51.33
O=C(C1=NNC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638979	0	33	-1.0	-56.96	280.59	2.88	-54.08
O=C(C1=NNC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638979	1	33	-1.0	-56.93	280.53	2.85	-54.08
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638980	0	34	-1.0	-53.92	280.23	2.85	-51.07
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638980	1	34	-1.0	-53.91	280.29	2.88	-51.03
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638981	0	37	-1.0	-54.29	308.74	3.97	-50.32
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638981	1	37	-1.0	-54.32	308.80	3.99	-50.33
COC1=CC=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638982	0	38	-1.0	-58.38	316.58	4.51	-53.87
COC1=CC=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638982	1	38	-1.0	-58.36	316.63	4.54	-53.82
O=C(C1=CC=C[N+]([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638983	0	30	-1.0	-53.11	251.01	1.56	-51.55
O=C(C1=CC=C[N+]([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638983	1	30	-1.0	-53.14	251.06	1.56	-51.58
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL250004638984	0	36	-1.0	-55.38	293.66	4.92	-50.46
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL250004638984	1	36	-1.0	-55.37	293.72	4.94	-50.43
O=C(C1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638985	0	33	-1.0	-40.02	270.29	1.71	-38.31
O=C(C1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638985	1	33	-1.0	-39.99	270.36	1.70	-38.29
O=C(C1=CC=C(Cl)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638986	0	29	-1.0	-50.70	262.40	2.22	-48.48
O=C(C1=CC=C(Cl)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638986	1	29	-1.0	-50.75	262.34	2.19	-48.56
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638987	0	31	-1.0	-51.77	271.55	3.94	-47.83
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638987	1	31	-1.0	-51.75	271.60	3.96	-47.79
CC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638988	0	33	-1.0	-52.33	270.75	4.25	-48.08
CC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638988	1	33	-1.0	-52.34	270.69	4.24	-48.10
CN(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638989	0	38	-1.0	-44.11	302.79	3.63	-40.48
CN(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638989	1	38	-1.0	-44.12	302.85	3.64	-40.48
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004638990	0	38	-1.0	-54.50	301.83	3.98	-50.52
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004638990	1	38	-1.0	-54.52	301.89	4.00	-50.52
CC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004638991	0	36	-1.0	-53.14	291.73	4.84	-48.30
CC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004638991	1	36	-1.0	-53.17	291.79	4.86	-48.31
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1	REAL250004638992	0	36	-1.0	-54.51	293.52	4.87	-49.64
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1	REAL250004638992	1	36	-1.0	-54.53	293.57	4.89	-49.64
O=C(CC1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638993	0	33	-1.0	-51.44	295.98	5.19	-46.25
O=C(CC1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638993	1	33	-1.0	-51.47	296.03	5.21	-46.26
O=C(CCC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638994	0	39	-1.0	-52.34	304.93	5.07	-47.27
O=C(CCC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638994	1	39	-1.0	-52.31	304.99	5.09	-47.22
O=C(C1=CC=CC(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638995	0	29	-1.0	-51.00	265.42	3.16	-47.84
O=C(C1=CC=CC(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638995	1	29	-1.0	-50.99	265.37	3.13	-47.86
O=C(C1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638996	0	30	-1.0	-49.60	257.73	3.64	-45.96
O=C(C1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638996	1	30	-1.0	-49.58	257.79	3.66	-45.92
O=C(C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638997	0	30	-1.0	-49.56	268.05	4.11	-45.45
O=C(C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638997	1	30	-1.0	-49.55	268.11	4.12	-45.43
O=C(CC1=CC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638998	0	30	-1.0	-51.52	269.47	3.78	-47.74
O=C(CC1=CC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638998	1	30	-1.0	-51.50	269.53	3.81	-47.69
CC1=NOC(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004638999	0	35	-1.0	-56.11	296.45	3.44	-52.67
CC1=NOC(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004638999	1	35	-1.0	-56.17	296.51	3.46	-52.71
O=C(C1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639000	0	30	-1.0	-51.06	263.45	3.67	-47.39
O=C(C1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639000	1	30	-1.0	-51.07	263.50	3.70	-47.37
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL250004639001	0	34	-1.0	-54.75	286.39	2.93	-51.82
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL250004639001	1	34	-1.0	-54.79	286.45	2.96	-51.83
O=C(C1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639002	0	34	-1.0	-54.80	267.28	1.53	-53.27
O=C(C1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639002	1	34	-1.0	-54.81	267.33	1.55	-53.26
O=C(CCC1=CSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639003	0	33	-1.0	-50.61	290.61	4.40	-46.21
O=C(CCC1=CSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639003	1	33	-1.0	-50.62	290.67	4.43	-46.19
CCC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639004	0	40	-1.0	-53.38	331.14	6.60	-46.78
CCC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639004	1	40	-1.0	-53.40	331.19	6.62	-46.78
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004639005	0	37	-1.0	-61.31	307.87	5.33	-55.98
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004639005	1	37	-1.0	-61.33	307.82	5.31	-56.02
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)S1	REAL250004639006	0	33	-1.0	-51.73	282.10	4.14	-47.59
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)S1	REAL250004639006	1	33	-1.0	-51.77	282.16	4.15	-47.62
NC(=O)NCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639007	0	38	-1.0	-61.67	315.96	-1.21	-62.88
NC(=O)NCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639007	1	38	-1.0	-61.66	316.02	-1.18	-62.84
COCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639008	0	37	-1.0	-42.05	300.15	2.79	-39.26
COCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639008	1	37	-1.0	-42.03	300.21	2.80	-39.23
O=C(C1=CC2=CC=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639009	0	33	-1.0	-53.28	289.21	5.02	-48.26
O=C(C1=CC2=CC=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639009	1	33	-1.0	-53.26	289.16	5.00	-48.26
O=C(CCC1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639010	0	36	-1.0	-50.35	307.04	5.55	-44.80
O=C(CCC1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639010	1	36	-1.0	-50.39	307.10	5.57	-44.82
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL250004639011	0	34	-1.0	-42.89	279.02	2.45	-40.44
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL250004639011	1	34	-1.0	-42.88	279.08	2.45	-40.43
O=C(C1=CC(F)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639012	0	30	-1.0	-42.26	256.06	3.21	-39.05
O=C(C1=CC(F)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639012	1	30	-1.0	-42.28	256.13	3.20	-39.08
O=C(CCC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639013	0	35	-1.0	-51.27	295.46	3.69	-47.58
O=C(CCC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639013	1	35	-1.0	-51.32	295.52	3.72	-47.60
CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639014	0	39	-1.0	-48.49	316.62	1.39	-47.10
CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639014	1	39	-1.0	-48.47	316.68	1.41	-47.06
O=C(C1=CC2=CC=CC=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639015	0	34	-1.0	-53.21	283.57	4.08	-49.13
O=C(C1=CC2=CC=CC=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639015	1	34	-1.0	-53.24	283.52	4.06	-49.18
O=C(CN1CCCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639016	0	34	-1.0	-56.34	284.28	2.32	-54.02
O=C(CN1CCCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639016	1	34	-1.0	-56.35	284.33	2.35	-54.00
O=C(C1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639017	0	40	-1.0	-42.98	307.79	5.56	-37.42
O=C(C1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639017	1	40	-1.0	-42.99	307.85	5.59	-37.40
O=C(CC1CCS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639018	0	36	-1.0	-62.82	301.86	0.34	-62.48
O=C(CC1CCS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639018	1	36	-1.0	-62.86	301.92	0.36	-62.50
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639019	0	36	-1.0	-53.05	300.63	5.35	-47.70
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639019	1	36	-1.0	-53.05	300.69	5.37	-47.68
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SN=N1	REAL250004639020	0	31	-1.0	-47.54	271.37	1.48	-46.06
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SN=N1	REAL250004639020	1	31	-1.0	-47.56	271.43	1.51	-46.05
O=C(C1=CN2C=CC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639021	0	33	-1.0	-57.24	282.05	4.93	-52.31
O=C(C1=CN2C=CC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639021	1	33	-1.0	-57.25	281.99	4.90	-52.35
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL250004639022	0	33	-1.0	-54.27	277.43	4.26	-50.01
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL250004639022	1	33	-1.0	-54.23	277.49	4.29	-49.94
O=C(CN1CCSC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639023	0	32	-1.0	-65.79	283.11	1.99	-63.80
O=C(CN1CCSC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639023	1	32	-1.0	-65.80	283.17	2.02	-63.78
O=C(C1=CC2=C(CCC2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639024	0	34	-1.0	-53.53	288.13	4.63	-48.90
O=C(C1=CC2=C(CCC2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639024	1	34	-1.0	-53.54	288.18	4.65	-48.89
O=C(C1=NC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639025	0	34	-1.0	-53.85	289.88	2.93	-50.92
O=C(C1=NC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639025	1	34	-1.0	-53.84	289.83	2.90	-50.94
CC(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639026	0	34	-1.0	-62.60	285.42	3.15	-59.45
CC(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639026	1	34	-1.0	-62.63	285.48	3.17	-59.46
CC1=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639027	0	33	-1.0	-55.62	288.00	1.54	-54.08
CC1=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639027	1	33	-1.0	-55.61	288.05	1.57	-54.04
O=C(CN1C=CC(=O)NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639028	0	33	-1.0	-55.49	288.15	0.50	-54.99
O=C(CN1C=CC(=O)NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639028	1	33	-1.0	-55.56	288.20	0.52	-55.04
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C	REAL250004639029	0	37	-1.0	-53.14	300.26	3.60	-49.54
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C	REAL250004639029	1	37	-1.0	-53.15	300.32	3.62	-49.53
O=C(C1COC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639030	0	38	-1.0	-49.83	309.92	4.42	-45.41
O=C(C1COC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639030	1	38	-1.0	-49.84	309.97	4.44	-45.40
CC1=NNC(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639031	0	36	-1.0	-56.74	299.80	2.24	-54.50
CC1=NNC(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639031	1	36	-1.0	-56.73	299.74	2.22	-54.51
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004639032	0	36	-1.0	-52.16	300.60	5.11	-47.05
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004639032	1	36	-1.0	-52.20	300.66	5.14	-47.06
CC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639033	0	40	-1.0	-54.16	316.36	2.94	-51.22
CC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639033	1	40	-1.0	-54.18	316.41	2.95	-51.23
O=C(C1CCS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639034	0	33	-1.0	-55.18	281.97	-0.54	-55.72
O=C(C1CCS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639034	1	33	-1.0	-55.16	282.02	-0.52	-55.68
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639035	0	33	-1.0	-52.50	285.57	4.19	-48.31
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639035	1	33	-1.0	-52.56	285.64	4.20	-48.36
O=C(C1CC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639036	0	35	-1.0	-57.11	289.78	4.73	-52.38
O=C(C1CC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639036	1	35	-1.0	-57.05	289.84	4.76	-52.29
CC1=NOC(C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639037	0	32	-1.0	-47.94	278.40	2.80	-45.14
CC1=NOC(C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639037	1	32	-1.0	-47.94	278.45	2.81	-45.13
O=C(CCN1C(=O)CCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639038	0	36	-1.0	-61.03	306.01	2.13	-58.90
O=C(CCN1C(=O)CCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639038	1	36	-1.0	-61.06	306.06	2.16	-58.90
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639039	0	32	-1.0	-52.67	286.78	3.20	-49.47
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639039	1	32	-1.0	-52.68	286.83	3.23	-49.45
O=C(CCN1CCSC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639040	0	35	-1.0	-62.11	304.13	2.41	-59.70
O=C(CCN1CCSC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639040	1	35	-1.0	-62.14	304.19	2.44	-59.70
CN1CC(=O)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004639041	0	35	-1.0	-61.10	302.03	1.56	-59.54
CN1CC(=O)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004639041	1	35	-1.0	-61.13	302.09	1.58	-59.55
NC(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639042	0	32	-1.0	-62.21	272.97	-2.79	-65.00
NC(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639042	1	32	-1.0	-62.21	273.03	-2.77	-64.98
O=C(CN1CSCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639043	0	32	-1.0	-61.67	283.55	2.01	-59.66
O=C(CN1CSCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639043	1	32	-1.0	-61.72	283.60	2.04	-59.68
O=C(CC1=NOC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639044	0	35	-1.0	-56.57	302.62	3.99	-52.58
O=C(CC1=NOC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639044	1	35	-1.0	-56.59	302.67	4.02	-52.57
CCC1=C(C)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639045	0	36	-1.0	-53.02	303.83	4.73	-48.29
CCC1=C(C)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639045	1	36	-1.0	-53.02	303.89	4.75	-48.27
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SN=N1	REAL250004639046	0	28	-1.0	-47.46	249.88	0.76	-46.70
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SN=N1	REAL250004639046	1	28	-1.0	-47.50	249.93	0.78	-46.72
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639047	0	34	-1.0	-56.08	291.83	2.99	-53.09
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639047	1	34	-1.0	-56.09	291.89	3.01	-53.08
CN1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004639048	0	33	-1.0	-49.58	280.86	4.54	-45.04
CN1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004639048	1	33	-1.0	-49.63	280.92	4.57	-45.06
O=C(C1=CC=NC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639049	0	29	-1.0	-48.61	262.57	2.24	-46.37
O=C(C1=CC=NC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639049	1	29	-1.0	-48.61	262.52	2.22	-46.39
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639050	0	33	-1.0	-51.66	277.69	0.28	-51.38
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639050	1	33	-1.0	-51.64	277.63	0.26	-51.38
O=C(C1=CC2=NNN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639051	0	32	-1.0	-40.42	264.00	0.26	-40.16
O=C(C1=CC2=NNN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639051	1	32	-1.0	-40.43	263.93	0.27	-40.16
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1C	REAL250004639052	0	34	-1.0	-53.30	274.62	3.57	-49.73
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1C	REAL250004639052	1	34	-1.0	-53.29	274.68	3.59	-49.70
NC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639053	0	39	-1.0	-53.58	305.25	0.29	-53.29
NC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639053	1	39	-1.0	-53.60	305.31	0.30	-53.30
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL250004639054	0	34	-1.0	-47.62	283.07	1.35	-46.27
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL250004639054	1	34	-1.0	-47.59	283.12	1.38	-46.21
O=C(C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639055	0	30	-1.0	-38.80	266.36	3.66	-35.14
O=C(C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639055	1	30	-1.0	-38.82	266.42	3.69	-35.13
O=C(CCC1=CC=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639056	0	33	-1.0	-52.24	281.47	3.58	-48.66
O=C(CCC1=CC=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639056	1	33	-1.0	-52.22	281.53	3.60	-48.62
CC1=CC=CC2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN21	REAL250004639057	0	36	-1.0	-57.30	301.96	5.39	-51.91
CC1=CC=CC2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN21	REAL250004639057	1	36	-1.0	-57.26	301.91	5.37	-51.89
O=C(C1=CC(Cl)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639058	0	30	-1.0	-40.88	265.91	3.68	-37.20
O=C(C1=CC(Cl)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639058	1	30	-1.0	-40.91	265.94	3.68	-37.23
CCCCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639059	0	42	-1.0	-40.27	330.23	6.02	-34.25
CCCCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639059	1	42	-1.0	-40.25	330.28	6.02	-34.23
O=C(C1=CC2=CC=CC=C2OC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639060	0	36	-1.0	-53.68	305.14	4.32	-49.36
O=C(C1=CC2=CC=CC=C2OC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639060	1	36	-1.0	-53.66	305.20	4.33	-49.33
O=C(C1=CC(Cl)=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639061	0	28	-1.0	-53.75	253.97	2.44	-51.31
O=C(C1=CC(Cl)=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639061	1	28	-1.0	-53.72	254.03	2.46	-51.26
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639062	0	30	-1.0	-55.67	267.68	2.70	-52.97
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639062	1	30	-1.0	-55.64	267.74	2.72	-52.92
CC1=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004639063	0	36	-1.0	-54.94	303.22	4.13	-50.81
CC1=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004639063	1	36	-1.0	-54.94	303.28	4.15	-50.79
O=C(CCOC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639064	0	37	-1.0	-51.78	309.19	4.29	-47.49
O=C(CCOC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639064	1	37	-1.0	-51.79	309.25	4.31	-47.48
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004639065	0	36	-1.0	-52.53	288.16	4.78	-47.75
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004639065	1	36	-1.0	-52.53	288.21	4.80	-47.73
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL250004639066	0	36	-1.0	-42.72	289.63	4.44	-38.28
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL250004639066	1	36	-1.0	-42.87	289.71	4.45	-38.42
O=C(CC1CC2CCC1C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639067	0	40	-1.0	-52.45	301.20	5.16	-47.29
O=C(CC1CC2CCC1C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639067	1	40	-1.0	-52.48	301.26	5.18	-47.30
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639068	0	37	-1.0	-52.06	321.50	5.87	-46.19
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639068	1	37	-1.0	-52.07	321.55	5.89	-46.18
O=C(CCCC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639069	0	45	-1.0	-52.26	342.91	6.42	-45.84
O=C(CCCC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639069	1	45	-1.0	-52.27	342.97	6.45	-45.82
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639070	0	32	-1.0	-37.84	273.28	3.73	-34.11
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639070	1	32	-1.0	-37.79	273.34	3.74	-34.05
CCN1C(C)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004639071	0	40	-1.0	-57.01	320.02	5.13	-51.88
CCN1C(C)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004639071	1	40	-1.0	-57.05	320.08	5.14	-51.91
CC1=CC=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639072	0	39	-1.0	-51.82	322.04	6.14	-45.68
CC1=CC=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639072	1	39	-1.0	-51.83	322.10	6.17	-45.66
CC(C)=CC1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004639073	0	43	-1.0	-50.84	336.57	6.19	-44.65
CC(C)=CC1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004639073	1	43	-1.0	-50.83	336.63	6.21	-44.62
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639074	0	34	-1.0	-53.20	291.48	1.92	-51.28
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639074	1	34	-1.0	-53.23	291.53	1.95	-51.28
CN1C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639075	0	31	-1.0	-50.46	271.76	3.61	-46.85
CN1C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639075	1	31	-1.0	-50.47	271.82	3.63	-46.84
O=C(C1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639076	0	30	-1.0	-47.76	264.17	3.72	-44.04
O=C(C1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639076	1	30	-1.0	-47.77	264.23	3.75	-44.02
CC1=CC2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN2C=C1	REAL250004639077	0	36	-1.0	-56.59	303.42	5.56	-51.03
CC1=CC2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN2C=C1	REAL250004639077	1	36	-1.0	-56.60	303.48	5.59	-51.01
CC(=O)C1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639078	0	33	-1.0	-65.83	282.11	2.46	-63.37
CC(=O)C1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639078	1	33	-1.0	-65.87	282.16	2.48	-63.39
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004639079	0	33	-1.0	-52.88	274.18	3.30	-49.58
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004639079	1	33	-1.0	-52.87	274.23	3.32	-49.55
O=C(CC1=CC=C2OCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639080	0	38	-1.0	-54.14	315.15	4.51	-49.63
O=C(CC1=CC=C2OCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639080	1	38	-1.0	-54.14	315.21	4.54	-49.60
CC1=NN(C)C(C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639081	0	36	-1.0	-52.19	303.31	2.74	-49.45
CC1=NN(C)C(C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639081	1	36	-1.0	-52.19	303.37	2.76	-49.43
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639082	0	33	-1.0	-49.51	285.64	3.83	-45.68
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639082	1	33	-1.0	-49.49	285.70	3.84	-45.65
CCOC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639083	0	34	-1.0	-49.11	290.62	-0.32	-49.43
CCOC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639083	1	34	-1.0	-49.11	290.67	-0.30	-49.41
O=C(C1=CSC2=CC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639084	0	33	-1.0	-54.92	286.52	5.00	-49.92
O=C(C1=CSC2=CC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639084	1	33	-1.0	-54.91	286.46	4.98	-49.93
N#CC1=CC=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639085	0	35	-1.0	-63.21	307.05	5.37	-57.84
N#CC1=CC=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639085	1	35	-1.0	-63.23	307.11	5.39	-57.84
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL250004639086	0	42	-1.0	-51.68	337.43	6.61	-45.07
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL250004639086	1	42	-1.0	-51.68	337.49	6.63	-45.05
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639087	0	33	-1.0	-52.15	279.30	3.64	-48.51
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639087	1	33	-1.0	-52.15	279.36	3.67	-48.48
O=C(C1=CC=CC2=NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639088	0	35	-1.0	-54.17	290.25	3.91	-50.26
O=C(C1=CC=CC2=NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639088	1	35	-1.0	-54.16	290.19	3.90	-50.26
O=C(C1=CC=C(Cl)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639089	0	27	-1.0	-47.61	252.93	2.63	-44.98
O=C(C1=CC=C(Cl)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639089	1	27	-1.0	-47.61	252.99	2.66	-44.95
CCOC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639090	0	36	-1.0	-58.37	299.33	2.23	-56.14
CCOC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639090	1	36	-1.0	-58.34	299.27	2.21	-56.13
COC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639091	0	34	-1.0	-44.27	277.12	3.68	-40.59
COC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639091	1	34	-1.0	-44.28	277.19	3.70	-40.58
CCOC(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639092	0	37	-1.0	-58.06	312.74	0.33	-57.73
CCOC(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639092	1	37	-1.0	-58.05	312.79	0.35	-57.70
O=C(NC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639093	0	34	-1.0	-46.93	289.25	2.24	-44.69
O=C(NC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639093	1	34	-1.0	-46.96	289.31	2.26	-44.70
O=C(C1CC2CCC1C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639094	0	37	-1.0	-54.54	283.07	4.40	-50.14
O=C(C1CC2CCC1C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639094	1	37	-1.0	-54.56	283.13	4.41	-50.15
CC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639095	0	35	-1.0	-47.65	293.76	4.51	-43.14
CC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639095	1	35	-1.0	-47.65	293.82	4.54	-43.11
CCCC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639096	0	36	-1.0	-50.01	296.49	2.58	-47.43
CCCC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639096	1	36	-1.0	-49.97	296.55	2.59	-47.38
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639097	0	39	-1.0	-52.78	315.58	5.74	-47.04
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639097	1	39	-1.0	-52.80	315.64	5.76	-47.04
O=C(CC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639098	0	32	-1.0	-53.37	274.13	2.90	-50.47
O=C(CC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639098	1	32	-1.0	-53.38	274.19	2.93	-50.45
O=C(C1=CC2=C(N1)SC=C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639099	0	31	-1.0	-52.26	273.93	3.16	-49.10
O=C(C1=CC2=C(N1)SC=C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639099	1	31	-1.0	-52.22	273.87	3.15	-49.07
CC1=CC(C)=NN1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639100	0	39	-1.0	-50.22	323.39	3.69	-46.53
CC1=CC(C)=NN1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639100	1	39	-1.0	-50.20	323.45	3.72	-46.48
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639101	0	32	-1.0	-43.21	260.99	1.76	-41.45
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639101	1	32	-1.0	-43.20	261.06	1.76	-41.44
CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639102	0	42	-1.0	-61.50	338.78	2.05	-59.45
CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639102	1	42	-1.0	-61.51	338.83	2.07	-59.44
CC1=CC=NC2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=NN21	REAL250004639103	0	34	-1.0	-63.93	294.00	5.14	-58.79
CC1=CC=NC2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=NN21	REAL250004639103	1	34	-1.0	-64.00	294.06	5.17	-58.83
CC(=O)C1=CN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639104	0	36	-1.0	-56.75	300.52	3.61	-53.14
CC(=O)C1=CN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639104	1	36	-1.0	-56.81	300.58	3.63	-53.18
O=C(C1=NOC(C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639105	0	33	-1.0	-50.52	283.97	3.86	-46.66
O=C(C1=NOC(C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639105	1	33	-1.0	-50.58	284.03	3.88	-46.70
CC1=NOC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639106	0	34	-1.0	-49.92	292.22	1.07	-48.85
CC1=NOC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639106	1	34	-1.0	-49.90	292.28	1.09	-48.81
CC1=C(C)SC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639107	0	33	-1.0	-53.25	282.35	3.95	-49.30
CC1=C(C)SC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639107	1	33	-1.0	-53.24	282.41	3.96	-49.28
O=C(C1=C2NN=CC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639108	0	33	-1.0	-57.51	277.60	2.30	-55.21
O=C(C1=C2NN=CC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639108	1	33	-1.0	-57.51	277.54	2.28	-55.23
O=C(C1=CC=CC2=CNN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639108	1	33	-1.0	-68.64	279.07	2.31	-66.33
O=C(C1=CC=CC2=CNN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639108	1	33	-1.0	-68.63	279.02	2.30	-66.33
CC1=NOC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL250004639109	0	34	-1.0	-50.81	288.93	0.97	-49.84
CC1=NOC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL250004639109	1	34	-1.0	-50.78	288.99	1.00	-49.78
O=C(C1=CC=NC2=NC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639110	0	31	-1.0	-53.59	276.54	4.75	-48.84
O=C(C1=CC=NC2=NC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639110	1	31	-1.0	-53.58	276.48	4.73	-48.85
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C	REAL250004639111	0	33	-1.0	-52.87	270.44	1.86	-51.01
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C	REAL250004639111	1	33	-1.0	-52.89	270.50	1.88	-51.01
O=C(C1CC1(Cl)Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639112	0	27	-1.0	-49.53	258.97	3.52	-46.01
O=C(C1CC1(Cl)Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639112	1	27	-1.0	-49.54	259.03	3.55	-45.99
CC(NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639113	0	42	-1.0	-49.02	335.34	2.01	-47.01
CC(NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639113	1	42	-1.0	-49.03	335.39	2.03	-47.00
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639114	0	32	-1.0	-52.46	275.71	1.99	-50.47
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639114	1	32	-1.0	-52.40	275.77	2.01	-50.39
CC1=NN(C)C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639115	0	39	-1.0	-58.60	321.12	3.46	-55.14
CC1=NN(C)C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639115	1	39	-1.0	-58.63	321.18	3.49	-55.14
O=C(CCN1C=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639116	0	32	-1.0	-51.78	276.53	4.09	-47.69
O=C(CCN1C=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639116	1	32	-1.0	-51.79	276.47	4.07	-47.72
O=C(CNC(=O)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639117	0	34	-1.0	-49.03	288.73	0.92	-48.11
O=C(CNC(=O)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639117	1	34	-1.0	-48.99	288.78	0.95	-48.04
O=C(C1CCCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639118	0	40	-1.0	-57.76	316.14	6.04	-51.72
O=C(C1CCCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639118	1	40	-1.0	-57.78	316.20	6.06	-51.72
COC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639119	0	33	-1.0	-57.86	277.46	1.31	-56.55
COC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639119	1	33	-1.0	-57.90	277.40	1.29	-56.61
CCCCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639120	0	36	-1.0	-53.62	306.74	4.61	-49.01
CCCCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639120	1	36	-1.0	-53.64	306.80	4.64	-49.00
CCCCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639121	0	44	-1.0	-51.88	348.24	6.36	-45.52
CCCCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639121	1	44	-1.0	-51.87	348.29	6.38	-45.49
CCCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639122	0	41	-1.0	-51.81	326.74	5.58	-46.23
CCCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639122	1	41	-1.0	-51.81	326.80	5.60	-46.21
CCCCCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639123	0	47	-1.0	-51.83	369.74	7.14	-44.69
CCCCCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639123	1	47	-1.0	-51.79	369.79	7.16	-44.63
CCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639124	0	38	-1.0	-51.84	305.24	4.80	-47.04
CCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639124	1	38	-1.0	-51.85	305.30	4.82	-47.03
O=C(CCN1C=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639125	0	33	-1.0	-51.71	281.67	2.67	-49.04
O=C(CCN1C=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639125	1	33	-1.0	-51.73	281.61	2.65	-49.08
O=C(C1=CC=CNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639126	0	30	-1.0	-67.75	263.40	0.77	-66.98
O=C(C1=CC=CNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639126	1	30	-1.0	-67.78	263.46	0.78	-67.00
CC(=O)NCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639127	0	42	-1.0	-56.68	344.24	2.37	-54.31
CC(=O)NCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639127	1	42	-1.0	-56.68	344.30	2.40	-54.28
O=C(C1CC(=O)N(C2CC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639128	0	38	-1.0	-54.03	306.61	3.05	-50.98
O=C(C1CC(=O)N(C2CC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639128	1	38	-1.0	-54.00	306.66	3.07	-50.93
CC(C)SCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639129	0	33	-1.0	-53.83	282.03	3.66	-50.17
CC(C)SCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639129	1	33	-1.0	-53.84	282.09	3.68	-50.16
O=C(C1=C2N=CC=CN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639130	0	32	-1.0	-64.92	276.15	2.50	-62.42
O=C(C1=C2N=CC=CN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639130	1	32	-1.0	-64.94	276.09	2.49	-62.45
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639131	0	32	-1.0	-54.50	270.10	3.32	-51.18
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639131	1	32	-1.0	-54.48	270.16	3.34	-51.14
O=C(C1=C2C=NNC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639132	0	33	-1.0	-55.80	276.84	2.18	-53.62
O=C(C1=C2C=NNC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639132	1	33	-1.0	-55.77	276.78	2.15	-53.62
CC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=C1	REAL250004639133	0	37	-1.0	-52.62	305.47	4.77	-47.85
CC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=C1	REAL250004639133	1	37	-1.0	-52.63	305.41	4.75	-47.88
O=C(C1=CC=CC=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639134	0	31	-1.0	-57.20	261.36	1.84	-55.36
O=C(C1=CC=CC=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639134	1	31	-1.0	-57.21	261.30	1.82	-55.39
O=C(C1=CC(Cl)=CC=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639135	0	31	-1.0	-54.00	278.03	2.33	-51.67
O=C(C1=CC(Cl)=CC=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639135	1	31	-1.0	-54.01	278.09	2.35	-51.66
O=C(CCNC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639136	0	38	-1.0	-53.27	314.27	3.59	-49.68
O=C(CCNC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639136	1	38	-1.0	-53.27	314.33	3.61	-49.66
O=C(C1=CC2=CNN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639137	0	33	-1.0	-48.50	270.05	1.72	-46.78
O=C(C1=CC2=CNN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639137	1	33	-1.0	-48.49	269.99	1.73	-46.76
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1O	REAL250004639138	0	34	-1.0	-57.27	281.40	2.56	-54.71
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1O	REAL250004639138	1	34	-1.0	-57.19	281.35	2.54	-54.65
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1O	REAL250004639139	0	35	-1.0	-59.21	290.50	1.64	-57.57
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1O	REAL250004639139	1	35	-1.0	-59.21	290.55	1.67	-57.54
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1	REAL250004639140	0	35	-1.0	-56.52	290.70	1.13	-55.39
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1	REAL250004639140	1	35	-1.0	-56.51	290.76	1.16	-55.35
O=C(C1=CC=C(Cl)C=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639141	0	31	-1.0	-53.38	278.03	2.33	-51.05
O=C(C1=CC=C(Cl)C=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639141	1	31	-1.0	-53.40	278.09	2.36	-51.04
O=C(CC1=CN2C=CC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639143	0	36	-1.0	-63.58	305.37	5.28	-58.30
O=C(CC1=CN2C=CC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639143	1	36	-1.0	-63.57	305.42	5.30	-58.27
O=C(C1=CC(C2CC2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639144	0	34	-1.0	-49.61	284.09	2.60	-47.01
O=C(C1=CC(C2CC2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639144	1	34	-1.0	-49.63	284.15	2.62	-47.01
CC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639145	0	34	-1.0	-42.07	271.92	2.36	-39.71
CC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639145	1	34	-1.0	-42.04	271.86	2.34	-39.70
COC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639146	0	35	-1.0	-57.01	290.74	1.12	-55.89
COC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639146	1	35	-1.0	-57.03	290.80	1.13	-55.90
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1O	REAL250004639147	0	34	-1.0	-54.83	281.81	1.44	-53.39
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1O	REAL250004639147	1	34	-1.0	-54.84	281.86	1.47	-53.37
O=C(CCOCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639148	0	33	-1.0	-48.94	294.41	2.18	-46.76
O=C(CCOCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639148	1	33	-1.0	-48.92	294.46	2.20	-46.72
CN1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL250004639149	0	37	-1.0	-50.76	297.47	2.15	-48.61
CN1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL250004639149	1	37	-1.0	-50.77	297.53	2.16	-48.61
C=CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639150	0	38	-1.0	-52.93	314.89	4.36	-48.57
C=CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639150	1	38	-1.0	-52.92	314.95	4.38	-48.54
CN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL250004639151	0	33	-1.0	-42.00	268.87	1.87	-40.13
CN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004639151	1	33	-1.0	-42.04	268.94	1.89	-40.15
NC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639152	0	34	-1.0	-65.76	285.26	0.33	-65.43
NC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639152	1	34	-1.0	-65.76	285.32	0.36	-65.40
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639153	0	34	-1.0	-52.51	294.36	2.17	-50.34
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639153	1	34	-1.0	-52.51	294.42	2.19	-50.32
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639154	0	32	-1.0	-57.54	289.68	2.80	-54.74
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639154	1	32	-1.0	-57.52	289.62	2.77	-54.75
CCN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL250004639155	0	37	-1.0	-54.21	302.14	2.46	-51.75
CCN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL250004639155	1	37	-1.0	-54.25	302.20	2.48	-51.77
O=C(C1=NNC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639156	0	37	-1.0	-56.66	295.80	3.02	-53.64
O=C(C1=NNC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639156	1	37	-1.0	-56.64	295.86	3.04	-53.60
N#CCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639157	0	28	-1.0	-59.45	263.10	2.77	-56.68
N#CCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639157	1	28	-1.0	-59.42	263.15	2.80	-56.62
CS(=O)(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639158	0	32	-1.0	-55.83	282.87	-0.76	-56.59
CS(=O)(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639158	1	32	-1.0	-55.87	282.92	-0.73	-56.60
CN1N=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639159	0	34	-1.0	-53.23	290.68	2.76	-50.47
CN1N=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639159	1	34	-1.0	-53.25	290.74	2.79	-50.46
O=C(C1=CC=C2OCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639160	0	35	-1.0	-53.40	286.59	3.39	-50.01
O=C(C1=CC=C2OCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639160	1	35	-1.0	-53.41	286.65	3.42	-49.99
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)NC1=O	REAL250004639161	0	33	-1.0	-55.40	288.33	-0.06	-55.46
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)NC1=O	REAL250004639161	1	33	-1.0	-55.41	288.38	-0.05	-55.46
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CC=N1	REAL250004639162	0	33	-1.0	-58.92	273.30	2.27	-56.65
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CC=N1	REAL250004639162	1	33	-1.0	-58.97	273.25	2.25	-56.72
O=C(CSC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639163	0	27	-1.0	-49.17	262.01	2.73	-46.44
O=C(CSC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639163	1	27	-1.0	-49.20	262.07	2.76	-46.44
CN(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)S(C)(=O)=O	REAL250004639164	0	34	-1.0	-72.26	296.28	-0.84	-73.10
CN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)S(C)(=O)=O	REAL250004639164	1	34	-1.0	-72.29	296.34	-0.82	-73.11
O=C(CCN1C=CC=CC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639165	0	36	-1.0	-55.72	304.45	3.74	-51.98
O=C(CCN1C=CC=CC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639165	1	36	-1.0	-55.72	304.50	3.77	-51.95
CC(C)OCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639166	0	36	-1.0	-50.13	295.04	2.47	-47.66
CC(C)OCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639166	1	36	-1.0	-50.10	295.09	2.49	-47.61
O=C(CN1C=CC=NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639167	0	32	-1.0	-61.16	278.38	1.10	-60.06
O=C(CN1C=CC=NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639167	1	32	-1.0	-61.17	278.44	1.12	-60.05
CCC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639168	0	33	-1.0	-50.14	274.99	1.80	-48.34
CCC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639168	1	33	-1.0	-50.13	275.05	1.81	-48.32
O=C(C1COCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639169	0	32	-1.0	-54.31	259.61	0.84	-53.47
O=C(C1COCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639169	1	32	-1.0	-54.33	259.67	0.87	-53.46
CCCCCCOCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639170	0	42	-1.0	-55.41	339.79	5.19	-50.22
CCCCCCOCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639170	1	42	-1.0	-55.39	339.84	5.21	-50.18
O=C(CCCNC(=O)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639171	0	40	-1.0	-53.91	332.37	2.39	-51.52
O=C(CCCNC(=O)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639171	1	40	-1.0	-53.94	332.42	2.41	-51.53
O=C(CCC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639172	0	37	-1.0	-53.47	297.16	2.78	-50.69
O=C(CCC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639172	1	37	-1.0	-53.49	297.21	2.81	-50.68
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639173	0	37	-1.0	-52.80	299.37	3.35	-49.45
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639173	1	37	-1.0	-52.80	299.42	3.37	-49.43
COCCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639174	0	34	-1.0	-52.79	297.42	2.11	-50.68
COCCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639174	1	34	-1.0	-52.84	297.48	2.13	-50.71
O=C(CN1CCCCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639175	0	37	-1.0	-56.41	299.56	2.93	-53.48
O=C(CN1CCCCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639175	1	37	-1.0	-56.38	299.61	2.95	-53.43
O=C(CN1CCCNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639176	0	36	-1.0	-65.91	294.79	0.84	-65.07
O=C(CN1CCCNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639176	1	36	-1.0	-65.90	294.84	0.86	-65.04
CC(=O)N(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639177	0	33	-1.0	-55.64	276.27	1.69	-53.95
CC(=O)N(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639177	1	33	-1.0	-55.66	276.33	1.72	-53.94
CN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL250004639178	0	34	-1.0	-57.46	281.27	1.48	-55.98
CN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL250004639178	1	34	-1.0	-57.46	281.33	1.49	-55.97
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C#N	REAL250004639179	0	33	-1.0	-49.46	288.68	3.55	-45.91
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C#N	REAL250004639179	1	33	-1.0	-49.46	288.74	3.58	-45.88
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639180	0	34	-1.0	-53.55	286.44	0.35	-53.20
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639180	1	34	-1.0	-53.48	286.51	0.38	-53.10
O=C(C1=CSN=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639181	0	25	-1.0	-49.08	233.53	0.59	-48.49
O=C(C1=CSN=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639181	1	25	-1.0	-49.12	233.48	0.57	-48.55
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004639182	0	33	-1.0	-50.53	277.91	0.29	-50.24
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004639182	1	33	-1.0	-50.52	277.85	0.27	-50.25
CC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639183	0	38	-1.0	-58.35	322.05	5.16	-53.19
CC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639183	1	38	-1.0	-58.39	322.10	5.18	-53.21
CCCCC(CC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639184	0	41	-1.0	-51.78	320.15	5.06	-46.72
CCCCC(CC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639184	1	41	-1.0	-51.78	320.21	5.07	-46.71
COC(=O)N(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639185	0	34	-1.0	-54.73	289.75	1.65	-53.08
COC(=O)N(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639185	1	34	-1.0	-54.72	289.81	1.67	-53.05
CC1=NOC(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639186	0	37	-1.0	-58.70	313.70	1.85	-56.85
CC1=NOC(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639186	1	37	-1.0	-58.67	313.76	1.88	-56.79
CCC(=O)NC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639187	0	36	-1.0	-48.02	293.44	0.68	-47.34
CCC(=O)NC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639187	1	36	-1.0	-48.02	293.50	0.70	-47.32
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639188	0	35	-1.0	-40.32	286.30	3.49	-36.83
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639188	1	35	-1.0	-40.32	286.37	3.47	-36.85
O=C(C1=CC=CC=[N+]1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639189	0	30	-1.0	-83.12	254.75	3.62	-79.50
O=C(C1=CC=CC=[N+]1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639189	1	30	-1.0	-83.10	254.80	3.63	-79.47
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=N1	REAL250004639190	0	29	-1.0	-52.22	253.75	1.28	-50.94
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=N1	REAL250004639190	1	29	-1.0	-52.20	253.81	1.31	-50.89
O=C(CCCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639191	0	39	-1.0	-53.98	322.12	6.26	-47.72
O=C(CCCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639191	1	39	-1.0	-54.00	322.18	6.28	-47.72
O=C(C1=C2C=CNC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639192	0	34	-1.0	-60.15	282.34	3.60	-56.55
O=C(C1=C2C=CNC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639192	1	34	-1.0	-60.16	282.28	3.58	-56.58
CCOCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639193	0	36	-1.0	-54.80	296.24	2.49	-52.31
CCOCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639193	1	36	-1.0	-54.77	296.30	2.52	-52.25
O=C(CCOCC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639194	0	41	-1.0	-52.84	331.80	2.10	-50.74
O=C(CCOCC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639194	1	41	-1.0	-52.85	331.86	2.12	-50.73
O=C(COCC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639195	0	34	-1.0	-56.02	285.47	3.62	-52.40
O=C(COCC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639195	1	34	-1.0	-56.02	285.53	3.65	-52.37
O=C(CC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639196	0	34	-1.0	-58.18	275.30	2.62	-55.56
O=C(CC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639196	1	34	-1.0	-58.18	275.35	2.65	-55.53
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)S(C)(=O)=O	REAL250004639197	0	32	-1.0	-72.89	274.67	-0.37	-73.26
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)S(C)(=O)=O	REAL250004639197	1	32	-1.0	-72.88	274.73	-0.34	-73.22
O=C(C1=CC=C2C=CNC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639198	0	34	-1.0	-45.63	275.58	3.04	-42.59
O=C(C1=CC=C2C=CNC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639198	1	34	-1.0	-45.67	275.52	3.05	-42.62
CC1=CC(NC(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639199	0	33	-1.0	-47.39	285.27	1.44	-45.95
CC1=CC(NC(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639199	1	33	-1.0	-47.38	285.33	1.47	-45.91
O=C(CC1=NN2C=CC=NC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639200	0	34	-1.0	-71.03	296.48	4.58	-66.45
O=C(CC1=NN2C=CC=NC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639200	1	34	-1.0	-70.99	296.54	4.61	-66.38
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1	REAL250004639201	0	32	-1.0	-67.37	273.45	-1.85	-69.22
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1	REAL250004639201	1	32	-1.0	-67.39	273.51	-1.83	-69.22
CC(C)CC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639202	0	39	-1.0	-50.27	315.66	3.10	-47.17
CC(C)CC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639202	1	39	-1.0	-50.22	315.72	3.11	-47.11
CC(C)C1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639203	0	36	-1.0	-49.97	293.84	2.34	-47.63
CC(C)C1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639203	1	36	-1.0	-49.93	293.89	2.36	-47.57
CCOC(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639204	0	32	-1.0	-59.62	273.03	3.57	-56.05
CCOC(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639204	1	32	-1.0	-59.62	273.08	3.60	-56.02
O=C(CCC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639205	0	35	-1.0	-51.30	295.51	3.71	-47.59
O=C(CCC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639205	1	35	-1.0	-51.28	295.56	3.74	-47.54
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC1=O	REAL250004639206	0	33	-1.0	-43.13	268.10	1.88	-41.25
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC1=O	REAL250004639206	1	33	-1.0	-43.12	268.17	1.89	-41.23
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639207	0	37	-1.0	-58.45	302.65	4.37	-54.08
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639207	1	37	-1.0	-58.46	302.71	4.40	-54.06
N#CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639208	0	34	-1.0	-47.64	287.33	4.23	-43.41
N#CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639208	1	34	-1.0	-47.66	287.40	4.23	-43.43
O=C(C1CCC(=O)NC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639209	0	34	-1.0	-52.67	277.75	0.11	-52.56
O=C(C1CCC(=O)NC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639209	1	34	-1.0	-52.68	277.81	0.12	-52.56
CC(C)(C)C1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639210	0	39	-1.0	-50.16	313.86	2.94	-47.22
CC(C)(C)C1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639210	1	39	-1.0	-50.12	313.92	2.96	-47.16
O=C(C1=NNC2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639211	0	34	-1.0	-56.97	280.05	2.50	-54.47
O=C(C1=NNC2=C1CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639211	1	34	-1.0	-56.98	280.11	2.53	-54.45
CC(F)(F)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639212	0	32	-1.0	-48.77	273.34	3.36	-45.41
CC(F)(F)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639212	1	32	-1.0	-48.80	273.40	3.39	-45.41
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=NC2=NN1	REAL250004639213	0	35	-1.0	-53.12	287.63	1.40	-51.72
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=NC2=NN1	REAL250004639213	1	35	-1.0	-53.11	287.69	1.40	-51.71
O=C(COC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639214	0	37	-1.0	-56.25	298.58	4.10	-52.15
O=C(COC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639214	1	37	-1.0	-56.32	298.64	4.12	-52.20
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639215	0	32	-1.0	-63.42	289.99	3.76	-59.66
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639215	1	32	-1.0	-63.42	289.93	3.73	-59.69
O=C(COC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639216	0	40	-1.0	-55.48	315.70	4.69	-50.79
O=C(COC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639216	1	40	-1.0	-55.46	315.76	4.72	-50.74
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639217	0	29	-1.0	-49.02	270.84	3.33	-45.69
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639217	1	29	-1.0	-49.05	270.90	3.35	-45.70
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1	REAL250004639218	0	33	-1.0	-49.88	285.35	4.61	-45.27
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1	REAL250004639218	1	33	-1.0	-49.85	285.41	4.63	-45.22
CC1=NC=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639219	0	31	-1.0	-48.01	259.74	2.14	-45.87
CC1=NC=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639219	1	31	-1.0	-47.97	259.80	2.16	-45.81
C=CCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639220	0	31	-1.0	-53.71	276.57	3.59	-50.12
C=CCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639220	1	31	-1.0	-53.71	276.63	3.62	-50.09
CCOC1CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639221	0	34	-1.0	-56.86	282.82	3.69	-53.17
CCOC1CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639221	1	34	-1.0	-56.84	282.88	3.72	-53.12
CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639222	0	36	-1.0	-51.55	299.54	1.22	-50.33
CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639222	1	36	-1.0	-51.52	299.48	1.19	-50.33
CC1=NC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639223	0	31	-1.0	-50.22	265.42	2.46	-47.76
CC1=NC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639223	1	31	-1.0	-50.23	265.48	2.49	-47.74
O=C(C1=CC=CC2=C1OCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639224	0	33	-1.0	-59.77	277.77	2.30	-57.47
O=C(C1=CC=CC2=C1OCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639224	1	33	-1.0	-59.74	277.83	2.31	-57.43
O=C(C1=C(Cl)N=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639225	0	26	-1.0	-53.87	251.38	1.24	-52.63
O=C(C1=C(Cl)N=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639225	1	26	-1.0	-53.90	251.33	1.22	-52.68
N#CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639226	0	35	-1.0	-59.75	309.01	4.98	-54.77
N#CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639226	1	35	-1.0	-59.77	309.07	5.00	-54.77
CCSCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639227	0	33	-1.0	-49.56	285.51	3.80	-45.76
CCSCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639227	1	33	-1.0	-49.54	285.56	3.82	-45.72
COC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639228	0	31	-1.0	-49.20	268.74	-1.25	-50.45
COC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639228	1	31	-1.0	-49.18	268.79	-1.23	-50.41
O=C(C1=NOC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639229	0	36	-1.0	-53.02	292.21	4.17	-48.85
O=C(C1=NOC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639229	1	36	-1.0	-53.06	292.27	4.19	-48.87
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639230	0	30	-1.0	-46.73	267.32	3.57	-43.16
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639230	1	30	-1.0	-46.73	267.37	3.58	-43.15
O=C(C1=NSN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639231	0	25	-1.0	-47.81	232.55	0.22	-47.59
O=C(C1=NSN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639231	1	25	-1.0	-47.80	232.49	0.19	-47.61
O=C(C1=CN=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639232	0	25	-1.0	-48.20	231.99	0.20	-48.00
O=C(C1=CN=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639232	1	25	-1.0	-48.23	231.93	0.17	-48.06
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639233	0	35	-1.0	-53.63	295.70	3.49	-50.14
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639233	1	35	-1.0	-53.62	295.76	3.52	-50.10
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)N1	REAL250004639234	0	33	-1.0	-45.55	265.69	-0.27	-45.82
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)N1	REAL250004639234	1	33	-1.0	-45.52	265.77	-0.27	-45.79
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(C)(C)C	REAL250004639235	0	44	-1.0	-51.64	327.68	5.33	-46.31
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(C)(C)C	REAL250004639235	1	44	-1.0	-51.63	327.74	5.36	-46.27
CCCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639236	0	33	-1.0	-53.67	285.25	3.83	-49.84
CCCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639236	1	33	-1.0	-53.68	285.30	3.86	-49.82
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL250004639237	0	33	-1.0	-55.20	295.19	2.85	-52.35
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL250004639237	1	33	-1.0	-55.21	295.13	2.83	-52.38
O=C(C1=CN=C2NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639238	0	33	-1.0	-70.05	285.84	3.22	-66.83
O=C(C1=CN=C2NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639238	1	33	-1.0	-70.04	285.78	3.20	-66.84
O=C(C1=CN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639239	0	26	-1.0	-52.26	237.40	0.80	-51.46
O=C(C1=CN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639239	1	26	-1.0	-52.27	237.33	0.78	-51.49
O=C(C=C(C1CC1)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639240	0	38	-1.0	-52.19	302.81	5.69	-46.50
O=C(C=C(C1CC1)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639240	1	38	-1.0	-52.16	302.86	5.71	-46.45
O=C(CCN1C=C(Cl)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639241	0	33	-1.0	-49.71	298.84	3.17	-46.54
O=C(CCN1C=C(Cl)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639241	1	33	-1.0	-49.72	298.78	3.14	-46.58
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639242	0	37	-1.0	-51.03	308.22	5.93	-45.10
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639242	1	37	-1.0	-51.01	308.28	5.96	-45.05
O=C(C1=CN=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639243	0	35	-1.0	-56.97	289.78	4.00	-52.97
O=C(C1=CN=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639243	1	35	-1.0	-56.98	289.73	3.97	-53.01
CC1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639244	0	33	-1.0	-57.81	281.38	2.75	-55.06
CC1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639244	1	33	-1.0	-57.81	281.33	2.73	-55.08
CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639245	0	35	-1.0	-70.24	299.27	0.18	-70.06
CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639245	1	35	-1.0	-70.22	299.33	0.21	-70.01
CC1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639246	0	33	-1.0	-51.00	271.48	1.97	-49.03
CC1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639246	1	33	-1.0	-50.99	271.53	1.99	-49.00
CCOC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639247	0	37	-1.0	-53.67	302.08	3.78	-49.89
CCOC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639247	1	37	-1.0	-53.67	302.14	3.80	-49.87
CN1C=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639248	0	36	-1.0	-52.95	303.49	3.29	-49.66
CN1C=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639248	1	36	-1.0	-52.98	303.43	3.26	-49.72
O=C(CC1=CC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639249	0	36	-1.0	-57.14	307.14	5.20	-51.94
O=C(CC1=CC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639249	1	36	-1.0	-57.15	307.20	5.22	-51.93
O=C(CSC1=NN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639250	0	29	-1.0	-51.33	281.00	1.48	-49.85
O=C(CSC1=NN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639250	1	29	-1.0	-51.32	280.95	1.45	-49.87
CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639251	0	42	-1.0	-47.63	331.42	2.03	-45.60
CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639251	1	42	-1.0	-47.65	331.47	2.06	-45.59
O=C(C1=CC=C(NC2CC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639252	0	38	-1.0	-51.68	311.86	3.06	-48.62
O=C(C1=CC=C(NC2CC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639252	1	38	-1.0	-51.73	311.92	3.07	-48.66
CCCCSC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639253	0	39	-1.0	-55.16	322.62	5.03	-50.13
CCCCSC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639253	1	39	-1.0	-55.15	322.68	5.06	-50.09
CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639254	0	37	-1.0	-52.07	316.88	-2.17	-54.24
CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639254	1	37	-1.0	-52.04	316.94	-2.14	-54.18
O=C(CN1C=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639255	0	37	-1.0	-57.81	312.41	6.12	-51.69
O=C(CN1C=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639255	1	37	-1.0	-57.79	312.47	6.14	-51.65
CC1=CC=C2OC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=C1	REAL250004639256	0	36	-1.0	-51.80	304.21	5.10	-46.70
CC1=CC=C2OC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=C1	REAL250004639256	1	36	-1.0	-51.82	304.26	5.12	-46.70
CC1=CN(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639257	0	36	-1.0	-51.60	303.65	3.34	-48.26
CC1=CN(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639257	1	36	-1.0	-51.64	303.59	3.31	-48.33
CN1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004639258	0	37	-1.0	-52.80	301.47	5.20	-47.60
CN1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004639258	1	37	-1.0	-52.80	301.42	5.18	-47.62
CCOCCOC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639259	0	40	-1.0	-59.65	324.67	2.68	-56.97
CCOCCOC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639259	1	40	-1.0	-59.66	324.72	2.71	-56.95
CC(C)COC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639260	0	39	-1.0	-55.45	311.74	4.03	-51.42
CC(C)COC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639260	1	39	-1.0	-55.47	311.80	4.04	-51.43
O=C(CCC1=NC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639261	0	32	-1.0	-50.80	285.51	2.58	-48.22
O=C(CCC1=NC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639261	1	32	-1.0	-50.80	285.56	2.60	-48.20
CC(C)CCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639262	0	39	-1.0	-53.48	324.31	5.12	-48.36
CC(C)CCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639262	1	39	-1.0	-53.42	324.37	5.15	-48.27
O=C(CN1CCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639263	0	39	-1.0	-54.42	316.96	4.09	-50.33
O=C(CN1CCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639263	1	39	-1.0	-54.42	317.02	4.12	-50.30
O=C(C1=NC=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639264	0	35	-1.0	-56.51	289.63	5.00	-51.51
O=C(C1=NC=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639264	1	35	-1.0	-56.46	289.57	4.97	-51.49
O=C(C1=CC2=CC=CN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639265	0	35	-1.0	-54.88	292.91	3.94	-50.94
O=C(C1=CC2=CC=CN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639265	1	35	-1.0	-54.86	292.86	3.92	-50.94
CC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639266	0	29	-1.0	-52.59	259.26	1.48	-51.11
CC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639266	1	29	-1.0	-52.58	259.32	1.49	-51.09
CCOC(CC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639267	0	36	-1.0	-56.03	286.48	3.18	-52.85
CCOC(CC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639267	1	36	-1.0	-56.03	286.54	3.19	-52.84
CN(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639268	0	38	-1.0	-55.85	309.81	4.87	-50.98
CN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639268	1	38	-1.0	-55.89	309.86	4.90	-50.99
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639269	0	33	-1.0	-52.08	291.37	4.58	-47.50
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639269	1	33	-1.0	-52.12	291.43	4.60	-47.52
O=C(C=C1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639270	0	37	-1.0	-52.71	288.88	4.75	-47.96
O=C(C=C1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639270	1	37	-1.0	-52.69	288.93	4.78	-47.91
CCCS(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639271	0	35	-1.0	-70.34	303.74	0.39	-69.95
CCCS(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639271	1	35	-1.0	-70.36	303.80	0.42	-69.94
NC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639272	0	31	-1.0	-64.50	277.32	-0.77	-65.27
NC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639272	1	31	-1.0	-64.46	277.38	-0.74	-65.20
CS(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639274	0	29	-1.0	-71.04	260.76	-1.30	-72.34
CS(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639274	1	29	-1.0	-71.05	260.82	-1.27	-72.32
CCS(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639275	0	32	-1.0	-70.76	282.23	-0.40	-71.16
CCS(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639275	1	32	-1.0	-70.73	282.29	-0.38	-71.11
O=C(CCN1CCOC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639276	0	35	-1.0	-62.60	295.49	1.82	-60.78
O=C(CCN1CCOC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639276	1	35	-1.0	-62.63	295.55	1.85	-60.78
O=C(C1=CC=CC2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639277	0	37	-1.0	-55.09	296.10	5.43	-49.66
O=C(C1=CC=CC2=C1CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639277	1	37	-1.0	-55.02	296.16	5.46	-49.56
CCC1=NC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004639278	0	35	-1.0	-55.97	306.20	3.29	-52.68
CCC1=NC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004639278	1	35	-1.0	-55.94	306.26	3.32	-52.62
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=C1	REAL250004639279	0	33	-1.0	-52.24	279.28	3.99	-48.25
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=C1	REAL250004639279	1	33	-1.0	-52.29	279.33	4.01	-48.28
CSC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004639280	0	33	-1.0	-50.40	289.22	2.97	-47.43
CSC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004639280	1	33	-1.0	-50.40	289.16	2.95	-47.45
CC(OCC1CC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639281	0	37	-1.0	-56.06	301.80	4.12	-51.94
CC(OCC1CC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639281	1	37	-1.0	-56.06	301.86	4.13	-51.93
CC1CCCCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639282	0	42	-1.0	-52.18	309.50	5.19	-46.99
CC1CCCCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639282	1	42	-1.0	-52.24	309.56	5.21	-47.03
COCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004639283	0	33	-1.0	-53.17	294.27	1.19	-51.98
COCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004639283	1	33	-1.0	-53.12	294.33	1.22	-51.90
O=C(CC(C1CC1)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639284	0	40	-1.0	-51.05	318.53	5.98	-45.07
O=C(CC(C1CC1)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639284	1	40	-1.0	-51.08	318.58	6.01	-45.07
CCC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639285	0	32	-1.0	-53.01	279.98	2.11	-50.90
CCC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639285	1	32	-1.0	-53.01	280.03	2.13	-50.88
O=C(CCCN1C=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639286	0	36	-1.0	-58.57	302.61	5.05	-53.52
O=C(CCCN1C=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639286	1	36	-1.0	-58.61	302.66	5.08	-53.53
C=CCCOCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639287	0	34	-1.0	-55.12	288.10	3.41	-51.71
C=CCCOCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639287	1	34	-1.0	-55.12	288.16	3.43	-51.69
O=C(CCC1=CSC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639288	0	32	-1.0	-53.05	284.94	2.50	-50.55
O=C(CCC1=CSC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639288	1	32	-1.0	-53.04	284.99	2.53	-50.51
N#CC1=CC=C(NCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639290	0	36	-1.0	-51.23	312.87	3.35	-47.88
N#CC1=CC=C(NCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639290	1	36	-1.0	-51.17	312.92	3.38	-47.79
O=C(C1=CC=NC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639291	0	29	-1.0	-51.80	252.14	1.75	-50.05
O=C(C1=CC=NC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639291	1	29	-1.0	-51.83	252.08	1.72	-50.11
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639292	0	33	-1.0	-55.79	283.25	-0.48	-56.27
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639292	1	33	-1.0	-55.80	283.20	-0.50	-56.30
O=C(CCCN1C=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639293	0	36	-1.0	-59.60	303.18	3.48	-56.12
O=C(CCCN1C=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639293	1	36	-1.0	-59.61	303.13	3.45	-56.16
O=C(CC1=C2C=CC=CC2=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639294	0	36	-1.0	-57.19	306.15	3.23	-53.96
O=C(CC1=C2C=CC=CC2=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639294	1	36	-1.0	-57.25	306.21	3.25	-54.00
COCCOCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639295	0	37	-1.0	-51.19	308.46	0.98	-50.21
COCCOCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639295	1	37	-1.0	-51.22	308.52	1.00	-50.22
C#CCN1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639296	1	40	-1.0	-56.03	317.84	2.71	-53.32
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CN=C1	REAL250004639297	0	33	-1.0	-55.83	272.69	3.45	-52.38
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CN=C1	REAL250004639297	1	33	-1.0	-55.83	272.75	3.46	-52.37
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639300	0	40	-1.0	-49.39	323.62	0.77	-48.62
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639300	1	40	-1.0	-49.39	323.67	0.80	-48.59
O=C(C1CNC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639301	0	31	-1.0	-53.18	258.38	-0.85	-54.03
O=C(C1CNC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639301	1	31	-1.0	-53.19	258.44	-0.83	-54.02
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639302	0	42	-1.0	-50.44	324.64	6.24	-44.20
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639302	1	42	-1.0	-50.46	324.70	6.27	-44.19
CCCCOC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639303	0	39	-1.0	-56.40	313.02	4.10	-52.30
CCCCOC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639303	1	39	-1.0	-56.39	313.07	4.12	-52.27
CCCCC(NC(N)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639304	0	41	-1.0	-59.64	324.57	0.56	-59.08
CCCCC(NC(N)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639304	1	41	-1.0	-59.65	324.62	0.59	-59.06
CC(C)CCOCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639305	0	39	-1.0	-55.21	314.36	4.14	-51.07
CC(C)CCOCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639305	1	39	-1.0	-55.23	314.41	4.16	-51.07
CC(C)CCOC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639306	0	42	-1.0	-56.13	329.75	4.56	-51.57
CC(C)CCOC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639306	1	42	-1.0	-56.19	329.81	4.58	-51.61
COCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639307	0	36	-1.0	-51.66	295.91	2.30	-49.36
COCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639307	1	36	-1.0	-51.68	295.96	2.33	-49.35
NC(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639308	0	33	-1.0	-64.75	278.43	-0.70	-65.45
NC(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639308	1	33	-1.0	-64.71	278.49	-0.68	-65.39
CC(OCC1CCCO1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639309	0	41	-1.0	-59.75	326.99	2.93	-56.82
CC(OCC1CCCO1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639309	1	41	-1.0	-59.76	327.04	2.95	-56.81
CC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004639310	0	32	-1.0	-54.55	284.09	1.91	-52.64
CC1=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL250004639310	1	32	-1.0	-62.53	286.34	2.02	-60.51
CC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004639310	1	32	-1.0	-54.56	284.14	1.93	-52.63
CC1=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL250004639310	1	32	-1.0	-62.54	286.40	2.04	-60.50
O=C(C1=CSC(C2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639311	0	33	-1.0	-53.17	290.48	3.66	-49.51
O=C(C1=CSC(C2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639311	1	33	-1.0	-53.16	290.54	3.68	-49.48
C=CCCOC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639312	0	37	-1.0	-56.12	303.50	3.82	-52.30
C=CCCOC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639312	1	37	-1.0	-56.12	303.55	3.84	-52.28
CC1=NN=C2C=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN12	REAL250004639313	0	35	-1.0	-50.41	302.20	4.95	-45.46
CC1=NN=C2C=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN12	REAL250004639313	1	35	-1.0	-50.45	302.26	4.97	-45.48
CC1=C2OC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=CC=C1	REAL250004639314	0	36	-1.0	-52.21	304.25	5.08	-47.13
CC1=C2OC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=CC=C1	REAL250004639314	1	36	-1.0	-52.20	304.31	5.11	-47.09
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639315	0	31	-1.0	-53.53	279.98	-0.54	-54.07
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639315	1	31	-1.0	-53.54	280.04	-0.51	-54.05
CN(C)C1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639316	0	37	-1.0	-55.71	301.40	3.17	-52.54
CN(C)C1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639316	1	37	-1.0	-55.74	301.46	3.20	-52.54
O=C(C1=CC=C2COCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639317	0	35	-1.0	-42.57	287.22	2.55	-40.02
O=C(C1=CC=C2COCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639317	1	35	-1.0	-42.63	287.29	2.53	-40.10
O=C(C1=CN2C=NN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639318	0	32	-1.0	-50.57	280.41	5.13	-45.44
O=C(C1=CN2C=NN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639318	1	32	-1.0	-50.56	280.35	5.11	-45.45
O=C(C=CC1=CSC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639320	0	30	-1.0	-54.02	274.55	2.34	-51.68
O=C(C=CC1=CSC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639320	1	30	-1.0	-54.01	274.61	2.36	-51.65
CCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639321	0	35	-1.0	-52.06	297.19	2.74	-49.32
CCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639321	1	35	-1.0	-52.12	297.25	2.76	-49.36
CN1C=C(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639322	0	32	-1.0	-51.53	277.31	1.61	-49.92
CN1C=C(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639322	1	32	-1.0	-51.49	277.37	1.63	-49.86
O=C(CCN1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639323	0	39	-1.0	-52.04	307.56	0.15	-51.89
O=C(CCN1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639323	1	39	-1.0	-52.03	307.61	0.17	-51.86
CC1=NOC(Cl)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639324	0	32	-1.0	-53.30	292.02	3.25	-50.05
CC1=NOC(Cl)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639324	1	32	-1.0	-53.32	292.08	3.28	-50.04
O=C(CCC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639325	0	35	-1.0	-53.85	294.81	3.71	-50.14
O=C(CCC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639325	1	35	-1.0	-53.85	294.87	3.73	-50.12
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL250004639326	0	45	-1.0	-51.74	334.00	6.07	-45.67
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL250004639326	1	45	-1.0	-51.71	334.06	6.08	-45.63
NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004639327	0	31	-1.0	-40.18	270.40	0.49	-39.69
NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004639327	1	31	-1.0	-40.16	270.35	0.49	-39.67
O=C(CCN1C=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639328	0	33	-1.0	-50.03	281.09	4.25	-45.78
O=C(CCN1C=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639328	1	33	-1.0	-50.06	281.15	4.27	-45.79
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639329	0	33	-1.0	-50.94	282.48	-1.37	-52.31
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639329	1	33	-1.0	-50.99	282.43	-1.40	-52.39
CN1C=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639330	0	33	-1.0	-54.76	282.13	2.49	-52.27
CN1C=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639330	1	33	-1.0	-54.77	282.07	2.46	-52.31
CCN1N=C(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639331	0	36	-1.0	-50.71	293.09	2.85	-47.86
CCN1N=C(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639331	1	36	-1.0	-50.72	293.15	2.86	-47.86
O=C(COC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639332	0	33	-1.0	-55.97	283.09	2.83	-53.14
O=C(COC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639332	1	33	-1.0	-55.97	283.03	2.81	-53.16
O=C(C1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639333	0	39	-1.0	-53.23	287.33	4.33	-48.90
O=C(C1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639333	1	39	-1.0	-53.23	287.39	4.35	-48.88
O=C(C1=CC=CC(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639334	0	30	-1.0	-58.65	263.27	3.67	-54.98
O=C(C1=CC=CC(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639334	1	30	-1.0	-58.65	263.32	3.69	-54.96
CC1CCCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639335	0	42	-1.0	-52.60	312.90	5.32	-47.28
CC1CCCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639335	1	42	-1.0	-52.65	312.96	5.34	-47.31
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639336	0	34	-1.0	-52.58	300.10	5.06	-47.52
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639336	1	34	-1.0	-52.55	300.16	5.09	-47.46
O=C(C1=CC=C(C(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639337	0	33	-1.0	-38.53	278.50	3.97	-34.56
O=C(C1=CC=C(C(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639337	1	33	-1.0	-38.55	278.56	3.95	-34.60
CN1C=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL250004639338	0	37	-1.0	-60.84	304.74	5.32	-55.52
CN1C=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL250004639338	1	37	-1.0	-60.83	304.69	5.30	-55.53
CC(C)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004639339	0	35	-1.0	-52.89	301.74	3.46	-49.43
CC(C)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004639339	1	35	-1.0	-52.87	301.80	3.48	-49.39
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C2NN=CC2=C1	REAL250004639340	0	36	-1.0	-41.91	287.54	2.62	-39.29
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C2NN=CC2=C1	REAL250004639340	1	36	-1.0	-41.87	287.48	2.60	-39.27
CC1=CC2=CNN=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639340	1	36	-1.0	-52.42	289.29	2.61	-49.81
CC1=CC2=CNN=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639340	1	36	-1.0	-52.36	289.17	2.61	-49.75
COC(=O)CSCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639341	0	36	-1.0	-51.94	319.21	3.84	-48.10
COC(=O)CSCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639341	1	36	-1.0	-51.92	319.26	3.87	-48.05
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCOCC1	REAL250004639342	0	39	-1.0	-51.51	293.97	-0.30	-51.81
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCOCC1	REAL250004639342	1	39	-1.0	-51.51	294.03	-0.28	-51.79
CC1=NC=CN1CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639343	0	39	-1.0	-58.81	322.37	4.84	-53.97
CC1=NC=CN1CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639343	1	39	-1.0	-58.80	322.42	4.85	-53.95
O=C(CC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639344	0	33	-1.0	-53.34	296.01	5.18	-48.16
O=C(CC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639344	1	33	-1.0	-53.36	296.06	5.20	-48.16
CCCC(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639345	0	38	-1.0	-51.39	297.19	4.46	-46.93
CCCC(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639345	1	38	-1.0	-51.39	297.25	4.48	-46.91
CC1=NOC(C)=C1C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639347	0	38	-1.0	-51.73	302.42	3.55	-48.18
CC1=NOC(C)=C1C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639347	1	38	-1.0	-51.76	302.47	3.56	-48.20
CC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639348	0	36	-1.0	-53.26	300.67	5.33	-47.93
CC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639348	1	36	-1.0	-53.23	300.73	5.36	-47.87
O=C(C1CCOC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639349	0	38	-1.0	-54.86	306.81	4.19	-50.67
O=C(C1CCOC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639349	1	38	-1.0	-54.89	306.87	4.21	-50.68
CCC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639350	0	42	-1.0	-52.73	333.35	6.38	-46.35
CCC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639350	1	42	-1.0	-52.73	333.40	6.40	-46.33
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CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639386	0	42	-1.0	-52.21	333.71	6.53	-45.68
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639386	1	42	-1.0	-52.23	333.77	6.56	-45.67
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O=C([C@H]1CCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639389	1	31	-1.0	-58.30	259.26	-0.53	-58.83
CC1=CC=CC=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639390	0	39	-1.0	-51.63	316.02	5.94	-45.69
CC1=CC=CC=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639390	1	39	-1.0	-51.63	316.08	5.97	-45.66
COC(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639392	0	34	-1.0	-58.25	290.87	-0.60	-58.85
COC(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639392	1	34	-1.0	-58.26	290.93	-0.57	-58.83
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O=C(C1=CC=C(F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639393	1	29	-1.0	-50.88	251.89	1.71	-49.17
O=C(C1=CC2=C(C=CS2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639394	0	31	-1.0	-53.62	273.70	3.14	-50.48
O=C(C1=CC2=C(C=CS2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639394	1	31	-1.0	-53.54	273.64	3.12	-50.42
O=C(CCCC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639395	0	38	-1.0	-57.52	316.30	4.48	-53.04
O=C(CCCC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639395	1	38	-1.0	-57.55	316.36	4.50	-53.05
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COC(=O)NCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639397	0	37	-1.0	-53.67	312.36	0.21	-53.46
COC(=O)NCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639397	1	37	-1.0	-53.67	312.42	0.23	-53.44
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCN(C)CC1	REAL250004639398	0	43	-1.0	-52.07	319.01	-0.42	-52.49
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCN(C)CC1	REAL250004639398	1	43	-1.0	-52.09	319.07	-0.40	-52.49
COC(=O)N(C)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639399	0	40	-1.0	-62.40	331.99	2.80	-59.60
COC(=O)N(C)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639399	1	40	-1.0	-62.37	332.04	2.83	-59.54
CN1C=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004639400	0	33	-1.0	-68.70	284.00	2.62	-66.08
CN1C=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004639400	1	33	-1.0	-68.71	284.06	2.63	-66.08
CC1=CC=C2OC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=N1	REAL250004639401	0	35	-1.0	-54.56	299.29	3.21	-51.35
CC1=CC=C2OC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=N1	REAL250004639401	1	35	-1.0	-54.59	299.35	3.24	-51.35
CC1=NNC(C)=C1C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639402	0	39	-1.0	-57.45	305.30	2.29	-55.16
CC1=NNC(C)=C1C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639402	1	39	-1.0	-57.42	305.24	2.26	-55.16
C#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639403	0	31	-1.0	-54.61	272.87	2.84	-51.77
C#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639403	1	31	-1.0	-54.56	272.93	2.87	-51.69
O=C(CC1=CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639404	0	37	-1.0	-52.19	295.15	4.89	-47.30
O=C(CC1=CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639404	1	37	-1.0	-52.19	295.20	4.92	-47.27
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004639405	0	41	-1.0	-51.71	307.58	4.70	-47.01
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004639405	1	41	-1.0	-51.68	307.64	4.73	-46.95
O=C(C1=CN=C(C2CC2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639406	0	33	-1.0	-52.26	290.46	3.15	-49.11
O=C(C1=CN=C(C2CC2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639406	1	33	-1.0	-52.29	290.52	3.16	-49.13
CN1N=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL250004639407	0	35	-1.0	-40.70	288.24	1.46	-39.24
CN1N=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL250004639407	1	35	-1.0	-40.67	288.19	1.47	-39.20
CC(C)(C)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639408	0	41	-1.0	-51.95	317.46	4.92	-47.03
CC(C)(C)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639408	1	41	-1.0	-51.94	317.52	4.95	-46.99
CC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639409	0	32	-1.0	-63.13	283.27	2.90	-60.23
CC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639409	1	32	-1.0	-63.13	283.33	2.92	-60.21
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL250004639410	0	33	-1.0	-39.52	277.99	3.93	-35.59
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL250004639410	1	33	-1.0	-39.54	278.05	3.93	-35.61
O=C(COCC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639411	0	38	-1.0	-61.22	310.92	2.51	-58.71
O=C(COCC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639411	1	38	-1.0	-61.22	310.98	2.53	-58.69
O=C(C1COC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639412	0	35	-1.0	-55.35	288.34	3.53	-51.82
O=C(C1COC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639412	1	35	-1.0	-55.33	288.40	3.54	-51.79
O=C(C1=COC2=CC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639413	0	33	-1.0	-58.55	278.28	4.02	-54.53
O=C(C1=COC2=CC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639413	1	33	-1.0	-58.54	278.23	4.01	-54.53
O=C(C=CC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639414	0	38	-1.0	-53.56	306.36	3.15	-50.41
O=C(C=CC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639414	1	38	-1.0	-53.56	306.42	3.18	-50.38
O=C(C1=CC=NC(C2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639415	0	35	-1.0	-50.26	295.92	4.15	-46.11
O=C(C1=CC=NC(C2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639415	1	35	-1.0	-50.25	295.98	4.18	-46.07
CS(=O)(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639416	0	35	-1.0	-68.35	304.38	0.02	-68.33
CS(=O)(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639416	1	35	-1.0	-68.34	304.44	0.04	-68.30
CC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639417	0	33	-1.0	-55.90	273.13	1.98	-53.92
CC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639417	1	33	-1.0	-55.87	273.18	2.00	-53.87
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639418	0	31	-1.0	-50.91	279.11	3.21	-47.70
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639418	1	31	-1.0	-50.95	279.17	3.24	-47.71
CC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639419	0	39	-1.0	-51.76	311.74	5.63	-46.13
CC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639419	1	39	-1.0	-51.78	311.80	5.66	-46.12
CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639420	0	33	-1.0	-53.47	275.82	2.22	-51.25
CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639420	1	33	-1.0	-53.49	275.77	2.21	-51.28
COC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639421	0	32	-1.0	-40.32	266.74	-2.39	-42.71
COC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639421	1	32	-1.0	-40.32	266.67	-2.40	-42.72
CCCCOCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639422	0	36	-1.0	-55.38	296.79	3.62	-51.76
CCCCOCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639422	1	36	-1.0	-55.42	296.85	3.65	-51.77
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639423	0	34	-1.0	-45.50	273.73	2.75	-42.75
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639423	1	34	-1.0	-45.51	273.79	2.77	-42.74
O=C(CC1=CC=C(Cl)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639425	0	32	-1.0	-52.40	291.03	3.33	-49.07
O=C(CC1=CC=C(Cl)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639425	1	32	-1.0	-52.39	290.97	3.31	-49.08
CCN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC1=O	REAL250004639426	0	35	-1.0	-49.03	295.64	2.19	-46.84
CCN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC1=O	REAL250004639426	1	35	-1.0	-49.02	295.69	2.22	-46.80
O=C(C(O)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639427	0	34	-1.0	-53.23	278.43	2.28	-50.95
O=C(C(O)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639427	1	34	-1.0	-53.22	278.49	2.30	-50.92
CCCCCC(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639428	0	42	-1.0	-55.36	335.88	3.16	-52.20
CCCCCC(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639428	1	42	-1.0	-55.34	335.94	3.19	-52.15
CC1CCCCC1OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639429	0	43	-1.0	-55.65	335.51	5.34	-50.31
CC1CCCCC1OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639429	1	43	-1.0	-55.72	335.56	5.37	-50.35
O=C(CC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639430	0	37	-1.0	-51.16	290.12	2.56	-48.60
O=C(CC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639430	1	37	-1.0	-51.16	290.17	2.59	-48.57
CCC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639431	0	42	-1.0	-51.67	326.57	6.18	-45.49
CCC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639431	1	42	-1.0	-51.68	326.62	6.20	-45.48
CSCC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639432	0	33	-1.0	-49.71	277.06	3.17	-46.54
CSCC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639432	1	33	-1.0	-49.71	277.11	3.20	-46.51
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004639433	0	36	-1.0	-51.36	295.89	4.91	-46.45
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004639433	1	36	-1.0	-51.36	295.95	4.94	-46.42
CC1=CC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1	REAL250004639434	0	33	-1.0	-67.81	285.42	2.11	-65.70
CC1=CC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1	REAL250004639434	1	33	-1.0	-67.80	285.48	2.12	-65.68
O=CNC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639435	0	34	-1.0	-60.77	285.26	1.75	-59.02
O=CNC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639435	1	34	-1.0	-60.75	285.32	1.77	-58.98
CC1=CC=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639436	0	32	-1.0	-50.95	265.88	2.44	-48.51
CC1=CC=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639436	1	32	-1.0	-50.97	265.95	2.46	-48.51
CC(C)(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639437	0	38	-1.0	-50.22	313.56	4.22	-46.00
CC(C)(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639437	1	38	-1.0	-50.24	313.50	4.19	-46.05
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL250004639438	0	37	-1.0	-55.05	301.69	3.56	-51.49
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL250004639438	1	37	-1.0	-55.05	301.74	3.58	-51.47
CCN1CCOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639439	0	39	-1.0	-55.14	301.82	0.88	-54.26
CCN1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639439	1	39	-1.0	-55.14	301.87	0.90	-54.24
CC1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639440	0	39	-1.0	-54.14	290.40	4.36	-49.78
CC1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639440	1	39	-1.0	-54.14	290.45	4.39	-49.75
CN(C)C(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639441	0	39	-1.0	-65.23	317.69	2.75	-62.48
CN(C)C(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639441	1	39	-1.0	-65.21	317.75	2.78	-62.43
CC1=NN(C)C=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639442	0	39	-1.0	-53.11	323.61	3.78	-49.33
CC1=NN(C)C=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639442	1	39	-1.0	-53.12	323.66	3.81	-49.31
CC1=NC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004639443	0	35	-1.0	-53.20	306.96	3.19	-50.01
CC1=NC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004639443	1	35	-1.0	-53.22	307.02	3.21	-50.01
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004639444	0	40	-1.0	-51.16	327.27	6.50	-44.66
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004639444	1	40	-1.0	-51.16	327.33	6.53	-44.63
O=C(COC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639445	0	38	-1.0	-57.57	306.84	2.30	-55.27
O=C(COC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639445	1	38	-1.0	-57.56	306.90	2.33	-55.23
CCCCC(CC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639446	0	44	-1.0	-51.40	336.75	5.87	-45.53
CCCCC(CC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639446	1	44	-1.0	-51.40	336.81	5.89	-45.51
O=C(CC1CCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639447	0	40	-1.0	-57.39	316.53	6.43	-50.96
O=C(CC1CCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639447	1	40	-1.0	-57.34	316.58	6.46	-50.88
CC1CCCC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639448	0	43	-1.0	-55.61	336.53	5.30	-50.31
CC1CCCC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639448	1	43	-1.0	-55.61	336.59	5.33	-50.28
CC1=CC=CC=C1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639449	0	42	-1.0	-51.60	331.50	6.44	-45.16
CC1=CC=CC=C1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639449	1	42	-1.0	-51.64	331.56	6.46	-45.18
CC(NS(C)(=O)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639450	0	34	-1.0	-65.10	288.39	-2.48	-67.58
CC(NS(C)(=O)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639450	1	34	-1.0	-65.12	288.44	-2.47	-67.59
O=C(C1CCS(=O)(=O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639451	0	36	-1.0	-61.00	299.79	0.11	-60.89
O=C(C1CCS(=O)(=O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639451	1	36	-1.0	-61.01	299.84	0.13	-60.88
O=C(C1CCSCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639452	0	34	-1.0	-52.34	275.66	3.59	-48.75
O=C(C1CCSCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639452	1	34	-1.0	-52.36	275.71	3.62	-48.74
CC(C)N1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639453	0	36	-1.0	-56.15	297.34	3.35	-52.80
CC(C)N1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639453	1	36	-1.0	-56.12	297.29	3.33	-52.79
CC(CC1CCCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639454	0	45	-1.0	-53.39	337.37	5.99	-47.40
CC(CC1CCCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639454	1	45	-1.0	-53.39	337.43	6.00	-47.39
CC1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639455	0	42	-1.0	-52.65	319.94	5.54	-47.11
CC1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639455	1	42	-1.0	-52.63	319.99	5.57	-47.06
CC1=NOC(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639456	0	35	-1.0	-62.06	305.28	0.68	-61.38
CC1=NOC(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639456	1	35	-1.0	-62.02	305.34	0.71	-61.31
CC(CC1CCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639457	0	42	-1.0	-52.61	316.73	5.26	-47.35
CC(CC1CCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639457	1	42	-1.0	-52.65	316.79	5.28	-47.37
CCC(CC1CCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639458	0	45	-1.0	-55.23	337.25	6.04	-49.19
CCC(CC1CCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639458	1	45	-1.0	-55.23	337.31	6.06	-49.17
O=C(CCC1CCCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639459	0	40	-1.0	-51.00	315.25	3.60	-47.40
O=C(CCC1CCCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639459	1	40	-1.0	-51.01	315.30	3.63	-47.38
CCC(OC1CCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639460	0	43	-1.0	-57.04	329.34	5.16	-51.88
CCC(OC1CCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639460	1	43	-1.0	-57.02	329.40	5.17	-51.85
CC(OC1CCCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639461	0	43	-1.0	-56.72	332.52	5.22	-51.50
CC(OC1CCCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639461	1	43	-1.0	-56.73	332.58	5.24	-51.49
CCCCCCC(CC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639462	0	47	-1.0	-51.65	362.98	6.61	-45.04
CCCCCCC(CC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639462	1	47	-1.0	-51.70	363.03	6.63	-45.07
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639463	0	30	-1.0	-50.35	269.40	3.14	-47.21
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639463	1	30	-1.0	-50.38	269.34	3.12	-47.26
CC(C)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639464	0	35	-1.0	-46.82	292.91	3.16	-43.66
CC(C)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639464	1	35	-1.0	-46.81	292.96	3.18	-43.63
O=C(CC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639465	0	32	-1.0	-55.43	274.09	2.88	-52.55
O=C(CC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639465	1	32	-1.0	-55.46	274.15	2.91	-52.55
CN1CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639466	1	35	-1.0	-55.35	278.69	1.03	-54.32
CN1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639466	1	35	-1.0	-55.39	278.74	1.06	-54.33
CC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639467	0	32	-1.0	-57.83	275.42	2.85	-54.98
CC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639467	1	32	-1.0	-57.86	275.48	2.88	-54.98
O=C(CC1(O)CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639468	0	40	-1.0	-56.36	306.40	2.93	-53.43
O=C(CC1(O)CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639468	1	40	-1.0	-56.37	306.46	2.95	-53.42
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004639469	0	37	-1.0	-42.04	294.17	2.95	-39.09
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004639469	1	37	-1.0	-42.01	294.10	2.94	-39.07
CC(OC1CCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639470	0	40	-1.0	-57.03	315.22	4.63	-52.40
CC(OC1CCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639470	1	40	-1.0	-57.03	315.28	4.64	-52.39
O=C(C1CC2CCC1O2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639471	0	35	-1.0	-59.29	275.14	1.99	-57.30
O=C(C1CC2CCC1O2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639471	1	35	-1.0	-59.25	275.20	2.01	-57.24
NC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639472	0	30	-1.0	-51.34	253.38	0.01	-51.33
NC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639472	1	30	-1.0	-51.30	253.33	-0.01	-51.31
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004639473	0	36	-1.0	-51.43	297.25	4.96	-46.47
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004639473	1	36	-1.0	-51.38	297.31	4.98	-46.40
O=C(NC1CC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639474	0	31	-1.0	-45.84	265.26	0.23	-45.61
O=C(NC1CC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639474	1	31	-1.0	-45.85	265.32	0.26	-45.59
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=NN1C	REAL250004639475	0	32	-1.0	-51.57	268.31	0.98	-50.59
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=NN1C	REAL250004639475	1	32	-1.0	-51.58	268.37	1.01	-50.57
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CS1	REAL250004639476	0	33	-1.0	-54.06	288.48	4.32	-49.74
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CS1	REAL250004639476	1	33	-1.0	-54.07	288.54	4.33	-49.74
CC(C)(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639477	0	38	-1.0	-51.79	295.99	4.16	-47.63
CC(C)(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639477	1	38	-1.0	-51.80	296.05	4.18	-47.62
O=C(C1=CC=C(Cl)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639478	0	29	-1.0	-49.61	265.31	3.26	-46.35
O=C(C1=CC=C(Cl)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639478	1	29	-1.0	-49.58	265.25	3.23	-46.35
O=C(C1=CC2=C(C=CO2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639479	0	30	-1.0	-54.85	268.98	2.79	-52.06
O=C(C1=CC2=C(C=CO2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639479	1	30	-1.0	-54.84	269.03	2.82	-52.02
O=C(CC1(O)CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639480	0	37	-1.0	-50.25	288.54	2.03	-48.22
O=C(CC1(O)CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639480	1	37	-1.0	-50.25	288.59	2.05	-48.20
O=C(C1CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639481	0	34	-1.0	-52.74	282.94	5.14	-47.60
O=C(C1CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639481	1	34	-1.0	-52.69	283.00	5.17	-47.52
CC1=CC=CC(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639482	0	39	-1.0	-55.22	312.26	5.57	-49.65
CC1=CC=CC(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639482	1	39	-1.0	-55.22	312.32	5.59	-49.63
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CSC=C1	REAL250004639483	0	33	-1.0	-54.01	281.93	3.93	-50.08
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CSC=C1	REAL250004639483	1	33	-1.0	-54.04	281.98	3.95	-50.09
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=CO1	REAL250004639484	0	32	-1.0	-52.43	270.10	0.96	-51.47
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=CO1	REAL250004639484	1	32	-1.0	-52.42	270.04	0.94	-51.48
O=C(C1=NC=CN2C=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639486	0	32	-1.0	-66.68	275.22	3.46	-63.22
O=C(C1=NC=CN2C=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639486	1	32	-1.0	-66.70	275.17	3.43	-63.27
CCCCSCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639487	0	39	-1.0	-49.31	328.42	5.39	-43.92
CCCCSCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639487	1	39	-1.0	-49.30	328.47	5.42	-43.88
O=C(C=CC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639488	0	40	-1.0	-52.22	315.42	5.56	-46.66
O=C(C=CC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639488	1	40	-1.0	-52.22	315.47	5.58	-46.64
CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(N)=O	REAL250004639489	0	37	-1.0	-60.96	314.09	-2.60	-63.56
CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(N)=O	REAL250004639489	1	37	-1.0	-60.97	314.15	-2.57	-63.54
CC(OC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639490	0	36	-1.0	-58.31	297.35	3.27	-55.04
CC(OC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639490	1	36	-1.0	-58.31	297.29	3.26	-55.05
CC1CCC(=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639491	0	40	-1.0	-51.37	309.88	5.39	-45.98
CC1CCC(=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639491	1	40	-1.0	-51.37	309.94	5.40	-45.97
CSCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639492	0	36	-1.0	-51.28	306.97	4.47	-46.81
CSCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639492	1	36	-1.0	-51.26	307.02	4.50	-46.76
CCOC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004639493	0	36	-1.0	-50.44	299.77	1.23	-49.21
CCOC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004639493	1	36	-1.0	-50.45	299.71	1.20	-49.25
O=C(CC1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639494	0	34	-1.0	-53.33	273.46	1.74	-51.59
O=C(CC1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639494	1	34	-1.0	-53.32	273.52	1.77	-51.55
CC1=NC=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639495	0	31	-1.0	-49.51	278.15	2.98	-46.53
CC1=NC=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639495	1	31	-1.0	-49.53	278.21	3.00	-46.53
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C2C=CC=CN12	REAL250004639496	0	36	-1.0	-63.18	301.34	5.55	-57.63
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C2C=CC=CN12	REAL250004639496	1	36	-1.0	-63.17	301.29	5.53	-57.64
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(=O)NC1=O	REAL250004639497	0	32	-1.0	-45.91	272.14	-3.38	-49.29
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(=O)NC1=O	REAL250004639497	1	32	-1.0	-45.88	272.20	-3.38	-49.26
CC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639498	0	39	-1.0	-54.46	290.46	4.39	-50.07
CC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639498	1	39	-1.0	-54.44	290.51	4.41	-50.03
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004639500	0	32	-1.0	-48.93	275.85	-0.41	-49.34
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004639500	1	32	-1.0	-48.91	275.80	-0.43	-49.34
O=C(C1=CC=NC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639501	0	29	-1.0	-54.05	252.21	1.88	-52.17
O=C(C1=CC=NC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639501	1	29	-1.0	-54.08	252.15	1.87	-52.21
CCC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639502	0	39	-1.0	-52.91	322.12	6.11	-46.80
CCC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639502	1	39	-1.0	-52.91	322.18	6.14	-46.77
O=C(C(O)C1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639504	0	38	-1.0	-51.42	294.30	0.32	-51.10
O=C(C(O)C1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639504	1	38	-1.0	-51.47	294.36	0.34	-51.13
O=C(C1CCCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639506	0	42	-1.0	-52.23	295.45	4.69	-47.54
O=C(C1CCCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639506	1	42	-1.0	-52.25	295.50	4.72	-47.53
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CO1	REAL250004639507	0	33	-1.0	-55.56	274.74	3.68	-51.88
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CO1	REAL250004639507	1	33	-1.0	-55.57	274.79	3.69	-51.88
CC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639508	0	33	-1.0	-50.92	278.52	4.28	-46.64
CC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639508	1	33	-1.0	-50.90	278.58	4.30	-46.60
CC1CCC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639509	0	40	-1.0	-50.96	318.58	3.54	-47.42
CC1CCC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639509	1	40	-1.0	-50.93	318.64	3.56	-47.37
CCC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639510	0	38	-1.0	-50.41	286.66	4.06	-46.35
CCC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639510	1	38	-1.0	-50.44	286.71	4.08	-46.36
O=C(C1CCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639511	0	31	-1.0	-50.00	262.95	3.27	-46.73
O=C(C1CCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639511	1	31	-1.0	-50.00	263.00	3.29	-46.71
COCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639512	0	33	-1.0	-52.03	286.01	1.34	-50.69
COCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639512	1	33	-1.0	-52.06	286.07	1.37	-50.69
CCCC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639513	0	35	-1.0	-52.70	301.48	2.89	-49.81
CCCC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639513	1	35	-1.0	-52.65	301.54	2.92	-49.73
O=C(C1=CC=NC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639514	0	29	-1.0	-51.09	260.64	2.29	-48.80
O=C(C1=CC=NC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639514	1	29	-1.0	-51.08	260.58	2.28	-48.80
O=C(CCC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639515	0	40	-1.0	-53.77	312.59	3.25	-50.52
O=C(CCC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639515	1	40	-1.0	-53.76	312.64	3.28	-50.48
CC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639516	0	36	-1.0	-58.54	296.68	4.32	-54.22
CC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639516	1	36	-1.0	-58.52	296.74	4.35	-54.17
CN1CCOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639517	0	36	-1.0	-55.47	285.36	0.23	-55.24
CN1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639517	1	36	-1.0	-55.45	285.42	0.25	-55.20
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639518	0	32	-1.0	-50.80	270.72	0.10	-50.70
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639518	1	32	-1.0	-50.89	270.78	0.12	-50.77
CN(C)C(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639519	0	33	-1.0	-65.75	273.10	2.67	-63.08
CN(C)C(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639519	1	33	-1.0	-65.81	273.16	2.69	-63.12
O=C(C1=CC=CC(F)=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639520	0	30	-1.0	-54.53	272.20	4.09	-50.44
O=C(C1=CC=CC(F)=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639520	1	30	-1.0	-54.53	272.26	4.11	-50.42
CC1=NC(SCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL250004639521	0	33	-1.0	-56.65	297.93	2.20	-54.45
CC1=NC(SCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL250004639521	1	33	-1.0	-56.65	297.99	2.23	-54.42
O=C(CCCC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639522	0	42	-1.0	-52.27	326.46	5.85	-46.42
O=C(CCCC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639522	1	42	-1.0	-52.29	326.51	5.87	-46.42
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C1CC1	REAL250004639523	0	37	-1.0	-57.41	307.59	3.95	-53.46
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C1CC1	REAL250004639523	1	37	-1.0	-57.45	307.64	3.98	-53.47
CCCCCCC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639524	0	44	-1.0	-52.89	339.12	5.84	-47.05
CCCCCCC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639524	1	44	-1.0	-52.89	339.18	5.85	-47.04
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)F	REAL250004639525	0	29	-1.0	-52.86	250.29	2.39	-50.47
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)F	REAL250004639525	1	29	-1.0	-52.93	250.35	2.41	-50.52
CCCCCC(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639526	0	44	-1.0	-51.60	340.17	6.02	-45.58
CCCCCC(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639526	1	44	-1.0	-51.58	340.23	6.05	-45.53
O=C(C1=CC=CC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639527	0	30	-1.0	-49.73	256.95	1.10	-48.63
O=C(C1=CC=CC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639527	1	30	-1.0	-49.71	257.01	1.13	-48.58
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCC1	REAL250004639528	0	39	-1.0	-53.10	294.12	4.49	-48.61
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCC1	REAL250004639528	1	39	-1.0	-53.07	294.18	4.52	-48.55
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL250004639529	0	33	-1.0	-42.98	271.04	3.83	-39.15
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL250004639529	1	33	-1.0	-43.04	271.10	3.84	-39.20
NC(=O)C1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639530	0	32	-1.0	-66.55	273.89	-1.33	-67.88
NC(=O)C1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639530	1	32	-1.0	-66.56	273.95	-1.32	-67.88
CC1=CSC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639531	0	30	-1.0	-51.93	260.57	3.27	-48.66
CC1=CSC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639531	1	30	-1.0	-51.93	260.63	3.29	-48.64
O=C(C1=C2NC=CC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639532	0	34	-1.0	-54.10	282.26	3.68	-50.42
O=C(C1=C2NC=CC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639532	1	34	-1.0	-54.08	282.20	3.67	-50.41
O=C(CC1=CC(F)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639533	0	33	-1.0	-51.93	291.09	4.77	-47.16
O=C(CC1=CC(F)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639533	1	33	-1.0	-51.92	291.15	4.80	-47.12
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639534	0	28	-1.0	-48.72	263.82	3.17	-45.55
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639534	1	28	-1.0	-48.69	263.88	3.18	-45.51
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639535	0	33	-1.0	-52.38	275.76	3.55	-48.83
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639535	1	33	-1.0	-52.37	275.82	3.56	-48.81
NC(=O)CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004639536	0	33	-1.0	-62.31	289.75	-2.42	-64.73
NC(=O)CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004639536	1	33	-1.0	-62.28	289.69	-2.45	-64.73
O=C(CCN1C=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639537	0	34	-1.0	-48.69	286.44	4.54	-44.15
O=C(CCN1C=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639537	1	34	-1.0	-48.66	286.50	4.56	-44.10
O=C(C1CCC2=CNN=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639538	0	37	-1.0	-55.56	294.22	2.45	-53.11
O=C(C1CCC2=CNN=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639538	1	37	-1.0	-55.58	294.27	2.47	-53.11
C#CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639539	0	36	-1.0	-42.21	302.11	3.85	-38.36
C#CCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639539	1	36	-1.0	-42.18	302.18	3.84	-38.34
C=CCOCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639540	0	37	-1.0	-54.96	309.15	3.07	-51.89
C=CCOCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639540	1	37	-1.0	-54.97	309.21	3.09	-51.88
O=C(C1CC1C1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639541	0	43	-1.0	-53.48	327.33	6.16	-47.32
O=C(C1CC1C1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639541	1	43	-1.0	-53.47	327.39	6.18	-47.29
CC(C)CC(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639542	0	42	-1.0	-61.38	338.54	2.16	-59.22
CC(C)CC(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639542	1	42	-1.0	-61.35	338.60	2.19	-59.16
CC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639543	0	32	-1.0	-53.40	267.02	2.45	-50.95
CC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639543	1	32	-1.0	-53.42	266.97	2.43	-50.99
O=C(C1=CC=CC2=CN=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639544	0	35	-1.0	-56.41	290.76	4.12	-52.29
O=C(C1=CC=CC2=CN=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639544	1	35	-1.0	-56.36	290.70	4.09	-52.27
O=C(CCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639545	0	29	-1.0	-48.08	258.87	2.84	-45.24
O=C(CCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639545	1	29	-1.0	-48.07	258.93	2.86	-45.21
O=C(C1CC12CCOCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639546	0	38	-1.0	-54.31	299.50	3.14	-51.17
O=C(C1CC12CCOCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639546	1	38	-1.0	-54.30	299.55	3.17	-51.13
CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639547	1	38	-1.0	-53.05	291.30	1.65	-51.40
CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639547	1	38	-1.0	-52.99	291.36	1.68	-51.31
O=C(CC1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639548	0	42	-1.0	-52.54	310.41	5.34	-47.20
O=C(CC1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639548	1	42	-1.0	-52.54	310.47	5.37	-47.17
N#CC1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639549	0	29	-1.0	-55.65	258.51	2.39	-53.26
N#CC1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639549	1	29	-1.0	-55.64	258.56	2.41	-53.23
O=C(C#CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639550	0	32	-1.0	-53.31	286.81	5.35	-47.96
O=C(C#CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639550	1	32	-1.0	-53.32	286.86	5.38	-47.94
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004639551	0	36	-1.0	-55.68	296.49	2.81	-52.87
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004639551	1	36	-1.0	-55.70	296.44	2.79	-52.91
O=C(C1=CN2N=NN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639552	0	31	-1.0	-51.15	275.85	1.97	-49.18
O=C(C1=CN2N=NN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639552	1	31	-1.0	-51.13	275.79	1.95	-49.18
O=C(CCC1=COC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639553	0	33	-1.0	-51.93	281.35	3.43	-48.50
O=C(CCC1=COC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639553	1	33	-1.0	-51.92	281.41	3.46	-48.46
O=C(CCC1CCCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639554	0	40	-1.0	-51.64	312.51	3.26	-48.38
O=C(CCC1CCCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639554	1	40	-1.0	-51.65	312.56	3.29	-48.36
CC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639555	0	32	-1.0	-53.73	264.77	3.43	-50.30
CC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639555	1	32	-1.0	-53.74	264.71	3.40	-50.34
CN1N=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN=C21	REAL250004639556	0	35	-1.0	-53.44	295.10	2.72	-50.72
CN1N=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN=C21	REAL250004639556	1	35	-1.0	-53.43	295.04	2.69	-50.74
O=C(C1CSCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639557	0	32	-1.0	-51.01	282.14	3.68	-47.33
O=C(C1CSCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639557	1	32	-1.0	-51.02	282.20	3.71	-47.31
O=C(CCOC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639558	0	41	-1.0	-50.12	327.82	2.00	-48.12
O=C(CCOC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639558	1	41	-1.0	-50.15	327.87	2.03	-48.12
CC1(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004639559	0	39	-1.0	-51.67	296.83	4.35	-47.32
CC1(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004639559	1	39	-1.0	-51.72	296.88	4.37	-47.35
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(F)C=C1F	REAL250004639560	0	33	-1.0	-37.69	272.84	3.94	-33.75
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(F)C=C1F	REAL250004639560	1	33	-1.0	-37.76	272.90	3.95	-33.81
O=C(C1=CC=C(F)C(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639561	0	30	-1.0	-36.31	261.50	3.23	-33.08
O=C(C1=CC=C(F)C(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639561	1	30	-1.0	-36.30	261.52	3.22	-33.08
O=C(CCC1=NN=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639562	0	32	-1.0	-56.31	274.62	2.88	-53.43
O=C(CCC1=NN=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639562	1	32	-1.0	-56.30	274.68	2.91	-53.39
CNS(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639563	0	31	-1.0	-65.03	275.66	-2.87	-67.90
CNS(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639563	1	31	-1.0	-65.07	275.72	-2.84	-67.91
CN1C(=O)NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004639564	0	33	-1.0	-42.75	262.25	-1.09	-43.84
CN1C(=O)NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004639564	1	33	-1.0	-42.81	262.28	-1.11	-43.92
O=C(CCC1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639565	0	37	-1.0	-52.41	295.92	2.50	-49.91
O=C(CCC1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639565	1	37	-1.0	-52.41	295.98	2.52	-49.89
N#CC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639566	0	28	-1.0	-53.55	263.14	2.99	-50.56
N#CC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639566	1	28	-1.0	-53.54	263.20	3.01	-50.53
CC(C)C1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639567	0	39	-1.0	-50.15	312.69	3.27	-46.88
CC(C)C1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639567	1	39	-1.0	-50.15	312.75	3.29	-46.86
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004639568	0	39	-1.0	-57.22	316.70	3.69	-53.53
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004639568	1	39	-1.0	-57.25	316.76	3.72	-53.53
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C(F)F	REAL250004639569	0	26	-1.0	-42.49	240.49	1.98	-40.51
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C(F)F	REAL250004639569	1	26	-1.0	-42.47	240.54	2.00	-40.47
O=C(C1=NC=NC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639570	0	28	-1.0	-49.56	256.36	3.08	-46.48
O=C(C1=NC=NC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639570	1	28	-1.0	-49.60	256.30	3.05	-46.55
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004639571	0	30	-1.0	-54.89	261.26	1.53	-53.36
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004639571	1	30	-1.0	-54.88	261.32	1.54	-53.34
CC(CS(C)(=O)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639572	0	35	-1.0	-54.73	292.43	-0.29	-55.02
CC(CS(C)(=O)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639572	1	35	-1.0	-54.75	292.49	-0.27	-55.02
COC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639573	0	31	-1.0	-54.30	272.04	1.80	-52.50
COC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639573	1	31	-1.0	-54.34	272.10	1.82	-52.52
CC(C)CCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639574	0	44	-1.0	-51.88	344.30	6.08	-45.80
CC(C)CCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639574	1	44	-1.0	-51.86	344.36	6.11	-45.75
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639575	0	36	-1.0	-52.68	303.38	4.40	-48.28
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639575	1	36	-1.0	-52.68	303.44	4.43	-48.25
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639576	0	33	-1.0	-52.13	278.12	1.57	-50.56
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639576	1	33	-1.0	-52.10	278.06	1.55	-50.55
O=C(COC1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639577	0	35	-1.0	-57.33	289.25	1.51	-55.82
O=C(COC1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639577	1	35	-1.0	-57.32	289.30	1.54	-55.78
O=C(C1CC12CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639578	0	37	-1.0	-52.03	295.45	4.84	-47.19
O=C(C1CC12CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639578	1	37	-1.0	-52.02	295.50	4.87	-47.15
O=CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004639579	0	29	-1.0	-61.17	264.21	2.40	-58.77
O=CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004639579	1	29	-1.0	-61.17	264.27	2.42	-58.75
O=C(C1CC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639580	0	30	-1.0	-49.97	258.84	3.11	-46.86
O=C(C1CC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639580	1	30	-1.0	-49.99	258.90	3.13	-46.86
O=C(C1=CC(=O)NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639581	0	30	-1.0	-40.87	248.67	0.01	-40.86
O=C(C1=CC(=O)NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639581	1	30	-1.0	-40.85	248.74	0.01	-40.84
CCC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639582	0	38	-1.0	-55.38	314.37	4.86	-50.52
CCC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639582	1	38	-1.0	-55.35	314.43	4.88	-50.47
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL250004639583	0	34	-1.0	-51.58	286.44	2.92	-48.66
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL250004639583	1	34	-1.0	-51.57	286.50	2.94	-48.63
CC1=NNC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639584	0	33	-1.0	-54.89	281.10	1.57	-53.32
CC1=NNC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639584	1	33	-1.0	-54.93	281.16	1.60	-53.33
CCC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639585	0	42	-1.0	-53.41	329.30	6.11	-47.30
CCC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639585	1	42	-1.0	-53.42	329.35	6.14	-47.28
O=C(C1=CC=CC(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639586	0	30	-1.0	-57.31	273.14	4.12	-53.19
O=C(C1=CC=CC(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639586	1	30	-1.0	-57.31	273.20	4.13	-53.18
O=C(CC1=CC=C(F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639587	0	33	-1.0	-55.65	291.12	4.77	-50.88
O=C(CC1=CC=C(F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639587	1	33	-1.0	-55.67	291.18	4.78	-50.89
O=C(CC1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639588	0	33	-1.0	-54.45	291.97	4.79	-49.66
O=C(CC1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639588	1	33	-1.0	-54.49	292.03	4.82	-49.67
O=C(CC1=C(F)C=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639589	0	33	-1.0	-54.76	289.87	4.72	-50.04
O=C(CC1=C(F)C=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639589	1	33	-1.0	-54.70	289.93	4.75	-49.95
COCC(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639590	0	36	-1.0	-53.92	290.39	2.15	-51.77
COCC(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639590	1	36	-1.0	-53.96	290.44	2.18	-51.78
O=C(C1CC1CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639591	0	40	-1.0	-53.08	326.94	6.89	-46.19
O=C(C1CC1CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639591	1	40	-1.0	-53.11	327.00	6.92	-46.19
O=C(CC1=CC=CC(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639592	0	33	-1.0	-60.16	291.01	4.75	-55.41
O=C(CC1=CC=CC(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639592	1	33	-1.0	-60.18	291.07	4.78	-55.40
CC(C)CC(C)OCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639593	0	45	-1.0	-50.21	354.51	4.58	-45.63
CC(C)CC(C)OCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639593	1	45	-1.0	-50.25	354.57	4.61	-45.64
O=C(CC1CCCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639594	0	37	-1.0	-54.35	293.36	3.59	-50.76
O=C(CC1CCCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639594	1	37	-1.0	-54.35	293.42	3.61	-50.74
CCN(CC)C(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639595	0	42	-1.0	-50.57	338.38	3.88	-46.69
CCN(CC)C(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639595	1	42	-1.0	-50.59	338.44	3.91	-46.68
CC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639596	0	33	-1.0	-50.96	288.83	4.71	-46.25
CC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639596	1	33	-1.0	-50.99	288.89	4.74	-46.25
CC1=NC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)S1	REAL250004639597	0	35	-1.0	-57.75	304.72	3.03	-54.72
CC1=NC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)S1	REAL250004639597	1	35	-1.0	-57.74	304.78	3.06	-54.68
CC(O)C1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004639598	0	36	-1.0	-61.58	306.64	-1.20	-62.78
CC(O)C1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004639598	1	36	-1.0	-61.57	306.70	-1.18	-62.75
CC(C)N1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639599	0	36	-1.0	-51.32	291.47	2.99	-48.33
CC(C)N1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639599	1	36	-1.0	-51.31	291.41	2.97	-48.34
O=C(CC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639600	0	32	-1.0	-55.43	274.09	2.88	-52.55
O=C(CC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639600	1	32	-1.0	-55.46	274.15	2.91	-52.55
O=C(CC1=CC=C(O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639601	0	34	-1.0	-54.76	290.27	1.81	-52.95
O=C(CC1=CC=C(O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639601	1	34	-1.0	-54.76	290.33	1.84	-52.92
CC1CCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639602	1	41	-1.0	-52.78	315.55	2.70	-50.08
O=C(C1CCNC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639603	0	34	-1.0	-54.07	273.23	-0.03	-54.10
O=C(C1CCNC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639603	1	34	-1.0	-54.09	273.29	-0.01	-54.10
O=C(C=CC1=CC=CC(CO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639604	0	38	-1.0	-56.14	321.04	2.48	-53.66
O=C(C=CC1=CC=CC(CO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639604	1	38	-1.0	-56.07	321.10	2.50	-53.57
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639605	0	42	-1.0	-53.18	310.13	4.82	-48.36
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639605	1	42	-1.0	-53.18	310.18	4.84	-48.34
COC(=O)C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639606	0	35	-1.0	-48.89	291.15	3.07	-45.82
COC(=O)C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639606	1	35	-1.0	-48.90	291.21	3.09	-45.81
O=C(C(F)=C1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639607	0	34	-1.0	-48.43	276.95	4.23	-44.20
O=C(C(F)=C1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639607	1	34	-1.0	-48.45	277.01	4.26	-44.19
CCC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639608	0	36	-1.0	-52.82	287.83	4.92	-47.90
CCC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639608	1	36	-1.0	-52.80	287.89	4.94	-47.86
O=C(C1CCCC2=NNC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639609	0	37	-1.0	-53.50	297.83	2.56	-50.94
O=C(C1CCCC2=NNC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639609	1	37	-1.0	-53.50	297.89	2.58	-50.92
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639610	0	33	-1.0	-48.38	292.84	2.85	-45.53
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639610	1	33	-1.0	-48.43	292.90	2.87	-45.56
CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL250004639611	0	33	-1.0	-41.63	274.64	3.88	-37.75
CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL250004639611	1	33	-1.0	-41.68	274.71	3.87	-37.81
O=C(C1=CC=CC2=NC=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639612	0	33	-1.0	-51.39	285.28	4.16	-47.23
O=C(C1=CC=CC2=NC=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639612	1	33	-1.0	-51.42	285.34	4.18	-47.24
O=C(C1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639613	0	30	-1.0	-48.03	273.32	4.11	-43.92
O=C(C1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639613	1	30	-1.0	-48.02	273.38	4.14	-43.88
O=C(C1=CN=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639614	0	29	-1.0	-49.51	252.14	1.81	-47.70
O=C(C1=CN=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639614	1	29	-1.0	-49.50	252.08	1.78	-47.72
CC1=CC(=O)NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639615	0	33	-1.0	-48.79	283.60	1.35	-47.44
CC1=CC(=O)NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639615	1	33	-1.0	-48.82	283.66	1.37	-47.45
CCCC(O)(CCC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639616	0	45	-1.0	-54.50	340.18	3.61	-50.89
CCCC(O)(CCC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639616	1	45	-1.0	-54.49	340.24	3.64	-50.85
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639617	0	38	-1.0	-53.64	308.65	4.55	-49.09
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639617	1	38	-1.0	-53.65	308.71	4.57	-49.08
N#CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639618	0	30	-1.0	-60.20	275.63	2.96	-57.24
N#CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639618	1	30	-1.0	-60.17	275.57	2.93	-57.24
O=C(C1=CNC(C2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639619	0	34	-1.0	-54.39	286.54	3.34	-51.05
O=C(C1=CNC(C2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639619	1	34	-1.0	-54.40	286.59	3.37	-51.03
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Cl	REAL250004639620	0	33	-1.0	-39.44	286.71	4.33	-35.11
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Cl	REAL250004639620	1	33	-1.0	-39.43	286.77	4.34	-35.09
CC1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639621	0	39	-1.0	-52.05	303.06	4.93	-47.12
CC1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639621	1	39	-1.0	-52.07	303.12	4.95	-47.12
CCC(CC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639622	0	38	-1.0	-52.08	289.83	4.22	-47.86
CCC(CC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639622	1	38	-1.0	-52.08	289.89	4.25	-47.83
CC=C(C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC	REAL250004639623	0	37	-1.0	-53.11	302.25	4.86	-48.25
CC=C(C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC	REAL250004639623	1	37	-1.0	-53.11	302.31	4.89	-48.22
CC1CCC(=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639624	0	37	-1.0	-53.03	294.55	4.90	-48.13
CC1CCC(=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639624	1	37	-1.0	-53.03	294.60	4.92	-48.11
O=C(C1CCSC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639625	0	31	-1.0	-50.33	258.16	3.05	-47.28
O=C(C1CCSC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639625	1	31	-1.0	-50.31	258.21	3.08	-47.23
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C1CCCC1	REAL250004639626	0	37	-1.0	-54.13	284.08	4.53	-49.60
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C1CCCC1	REAL250004639626	1	37	-1.0	-54.12	284.14	4.55	-49.57
O=C(CC1CCSCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639627	0	37	-1.0	-50.95	299.00	4.62	-46.33
O=C(CC1CCSCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639627	1	37	-1.0	-50.99	299.06	4.65	-46.34
CCOC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004639628	0	42	-1.0	-54.88	328.04	4.43	-50.45
CCOC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004639628	1	42	-1.0	-54.90	328.10	4.45	-50.45
O=C(CN1C=C(C2CC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639629	0	36	-1.0	-61.92	305.19	2.85	-59.07
O=C(CN1C=C(C2CC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639629	1	36	-1.0	-61.95	305.24	2.87	-59.08
CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639630	0	34	-1.0	-62.27	297.22	-1.96	-64.23
CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639630	1	34	-1.0	-62.26	297.27	-1.94	-64.20
COC(=O)CC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639631	0	35	-1.0	-49.03	290.44	2.83	-46.20
COC(=O)CC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639631	1	35	-1.0	-49.04	290.50	2.85	-46.19
CC1=C(C)OC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639632	0	33	-1.0	-53.14	278.91	3.51	-49.63
CC1=C(C)OC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639632	1	33	-1.0	-53.19	278.96	3.53	-49.66
C=CCC(CC=C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639633	0	37	-1.0	-52.72	304.06	4.66	-48.06
C=CCC(CC=C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639633	1	37	-1.0	-52.72	304.12	4.67	-48.05
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004639634	0	34	-1.0	-54.56	276.93	3.17	-51.39
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004639634	1	34	-1.0	-54.56	276.99	3.19	-51.37
O=C(C1=CC=C2SC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639635	0	33	-1.0	-51.58	288.28	4.97	-46.61
O=C(C1=CC=C2SC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639635	1	33	-1.0	-51.59	288.22	4.94	-46.65
O=C(C1=CC=C(C2CC2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639636	0	34	-1.0	-53.24	293.18	4.79	-48.45
O=C(C1=CC=C(C2CC2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639636	1	34	-1.0	-53.22	293.23	4.81	-48.41
O=C(C1=CC(F)=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639637	0	30	-1.0	-48.90	273.85	4.12	-44.78
O=C(C1=CC(F)=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639637	1	30	-1.0	-48.90	273.91	4.15	-44.75
CCC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639638	0	37	-1.0	-58.40	293.51	3.68	-54.72
CCC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639638	1	37	-1.0	-58.38	293.56	3.71	-54.67
O=C(CC1=CN=C2NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639639	0	36	-1.0	-70.12	305.58	3.97	-66.15
O=C(CC1=CN=C2NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639639	1	36	-1.0	-70.11	305.64	3.99	-66.12
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1F	REAL250004639640	0	33	-1.0	-58.63	277.28	4.26	-54.37
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1F	REAL250004639640	1	33	-1.0	-58.67	277.34	4.27	-54.40
CSCCC(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639641	0	34	-1.0	-51.87	290.90	1.34	-50.53
CSCCC(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639641	1	34	-1.0	-51.89	290.95	1.37	-50.52
O=C([C@@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639642	0	34	-1.0	-53.21	278.44	2.27	-50.94
O=C([C@@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639642	1	34	-1.0	-53.19	278.49	2.30	-50.89
O=C([C@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639643	0	34	-1.0	-52.42	281.91	2.38	-50.04
O=C([C@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639643	1	34	-1.0	-52.47	281.96	2.40	-50.07
CC(C)(C)C(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639644	0	36	-1.0	-50.83	274.90	1.35	-49.48
CC(C)(C)C(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639644	1	36	-1.0	-50.82	274.96	1.36	-49.46
COC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639646	0	41	-1.0	-57.58	318.60	4.10	-53.48
COC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639646	1	41	-1.0	-57.56	318.66	4.12	-53.44
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL250004639647	0	36	-1.0	-58.24	299.14	4.89	-53.35
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL250004639647	1	36	-1.0	-58.25	299.09	4.87	-53.38
CCN1N=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639648	0	37	-1.0	-53.00	312.67	3.64	-49.36
CCN1N=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639648	1	37	-1.0	-52.99	312.72	3.67	-49.32
O=C(C1=NC(Cl)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639649	0	29	-1.0	-54.44	269.99	3.24	-51.20
O=C(C1=NC(Cl)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639649	1	29	-1.0	-54.43	269.93	3.23	-51.20
O=C(C1=NNC=C1[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639650	0	29	-1.0	-64.90	258.26	2.24	-62.66
O=C(C1=NNC=C1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639650	1	29	-1.0	-64.95	258.32	2.27	-62.68
CNC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639651	0	32	-1.0	-50.01	272.77	-2.01	-52.02
CNC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639651	1	32	-1.0	-50.03	272.82	-1.99	-52.02
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639652	0	32	-1.0	-54.14	270.01	3.41	-50.73
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639652	1	32	-1.0	-54.13	269.95	3.38	-50.75
O=C(C1=CC=C2N=CNC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639653	0	32	-1.0	-55.89	274.12	3.42	-52.47
O=C(C1=CC=C2N=CNC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639653	1	32	-1.0	-55.87	274.07	3.39	-52.48
O=C(C1=CC=C2N=CN=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639653	1	32	-1.0	-40.01	265.59	1.96	-38.05
O=C(C1=CC=C2N=CN=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639653	1	32	-1.0	-40.03	265.53	1.95	-38.08
CN(C)CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639654	0	37	-1.0	-51.17	308.61	1.15	-50.02
CN(C)CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639654	1	37	-1.0	-51.22	308.67	1.18	-50.04
O=C(CSCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639655	0	30	-1.0	-55.09	282.68	3.46	-51.63
O=C(CSCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639655	1	30	-1.0	-55.10	282.74	3.49	-51.61
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639656	0	33	-1.0	-54.99	281.93	3.63	-51.36
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639656	1	33	-1.0	-54.97	281.99	3.65	-51.32
CCCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004639657	0	41	-1.0	-51.99	305.71	4.51	-47.48
CCCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004639657	1	41	-1.0	-52.01	305.77	4.52	-47.49
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639658	0	35	-1.0	-50.32	294.62	3.70	-46.62
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639658	1	35	-1.0	-50.31	294.67	3.73	-46.58
CCC(C)C(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639659	0	36	-1.0	-50.73	280.22	1.46	-49.27
CCC(C)C(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639659	1	36	-1.0	-50.71	280.28	1.49	-49.22
CN1CCOCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639660	0	36	-1.0	-51.35	284.43	-0.70	-52.05
CN1CCOCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639660	1	36	-1.0	-51.31	284.48	-0.67	-51.98
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1F	REAL250004639661	0	36	-1.0	-49.76	298.30	4.91	-44.85
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1F	REAL250004639661	1	36	-1.0	-49.77	298.36	4.92	-44.85
CC(C)N1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639662	0	37	-1.0	-53.79	295.40	4.54	-49.25
CC(C)N1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639662	1	37	-1.0	-53.78	295.45	4.55	-49.23
CC1=C(C)NC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639663	0	35	-1.0	-71.07	291.64	2.08	-68.99
CC1=C(C)NC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639663	1	35	-1.0	-71.10	291.70	2.11	-68.99
CC1(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC(=O)N1	REAL250004639664	0	40	-1.0	-57.83	319.49	1.78	-56.05
CC1(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC(=O)N1	REAL250004639664	1	40	-1.0	-57.87	319.55	1.81	-56.06
CC1=CC=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639665	0	33	-1.0	-50.05	287.45	4.76	-45.29
CC1=CC=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639665	1	33	-1.0	-50.02	287.50	4.78	-45.24
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL250004639666	0	38	-1.0	-56.35	295.00	3.46	-52.89
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL250004639666	1	38	-1.0	-56.35	295.06	3.49	-52.86
O=C(C1=CN=C2C=CC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639667	0	33	-1.0	-57.30	274.89	3.90	-53.40
O=C(C1=CN=C2C=CC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639667	1	33	-1.0	-57.33	274.84	3.88	-53.45
CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639668	0	45	-1.0	-53.34	332.09	5.64	-47.70
CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639668	1	45	-1.0	-53.39	332.14	5.67	-47.72
CCN1C=C(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639669	0	35	-1.0	-51.39	298.82	2.46	-48.93
CCN1C=C(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639669	1	35	-1.0	-51.44	298.88	2.49	-48.95
CC1CC(=O)CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639670	0	38	-1.0	-52.55	291.78	3.56	-48.99
CC1CC(=O)CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639670	1	38	-1.0	-52.58	291.84	3.58	-49.00
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL250004639671	0	33	-1.0	-54.80	285.06	4.62	-50.18
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL250004639671	1	33	-1.0	-54.80	285.12	4.63	-50.17
CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL250004639672	0	42	-1.0	-50.96	307.03	5.19	-45.77
CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL250004639672	1	42	-1.0	-50.95	307.08	5.22	-45.73
CC1=NN=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639673	0	31	-1.0	-48.58	260.82	1.40	-47.18
CC1=NN=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639673	1	31	-1.0	-48.52	260.87	1.42	-47.10
CC1(C)OCC(C)(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CO1	REAL250004639674	0	41	-1.0	-62.01	305.93	2.15	-59.86
CC1(C)OCC(C)(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CO1	REAL250004639674	1	41	-1.0	-62.04	305.98	2.17	-59.87
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCO1	REAL250004639675	0	35	-1.0	-53.93	280.56	2.93	-51.00
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCO1	REAL250004639675	1	35	-1.0	-53.97	280.62	2.95	-51.02
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCOCC1	REAL250004639676	0	40	-1.0	-51.70	301.32	2.72	-48.98
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCOCC1	REAL250004639676	1	40	-1.0	-51.74	301.38	2.74	-49.00
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=NN2C=C1	REAL250004639677	0	36	-1.0	-60.03	298.17	4.02	-56.01
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=NN2C=C1	REAL250004639677	1	36	-1.0	-60.04	298.11	4.00	-56.04
O=C(CN1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639678	1	35	-1.0	-52.03	275.22	0.89	-51.14
O=C(CN1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639678	1	35	-1.0	-52.05	275.27	0.91	-51.14
O=C(CN1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639679	0	36	-1.0	-51.92	285.74	-0.37	-52.29
O=C(CN1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639679	1	36	-1.0	-51.93	285.80	-0.35	-52.28
CC(CN1CCOCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639680	0	42	-1.0	-52.25	322.25	0.92	-51.33
CC(CN1CCOCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639680	1	42	-1.0	-52.30	322.31	0.94	-51.36
CN1C=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639681	0	32	-1.0	-66.26	281.12	3.61	-62.65
CN1C=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639681	1	32	-1.0	-66.21	281.06	3.58	-62.63
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1	REAL250004639682	0	34	-1.0	-56.95	282.70	2.48	-54.47
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1	REAL250004639682	1	34	-1.0	-56.90	282.76	2.51	-54.39
O=C(C1=CC=C(O)C=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639683	0	32	-1.0	-55.91	272.28	-1.01	-56.92
O=C(C1=CC=C(O)C=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639683	1	32	-1.0	-55.90	272.34	-0.99	-56.89
O=C(C1=CC(F)=CC=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639684	0	31	-1.0	-54.29	267.72	1.89	-52.40
O=C(C1=CC(F)=CC=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639684	1	31	-1.0	-54.24	267.78	1.90	-52.34
CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1O	REAL250004639685	0	37	-1.0	-42.34	294.89	3.01	-39.33
CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1O	REAL250004639685	1	37	-1.0	-42.32	294.97	3.01	-39.31
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1O	REAL250004639686	0	35	-1.0	-59.31	292.06	0.29	-59.02
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1O	REAL250004639686	1	35	-1.0	-59.28	292.12	0.32	-58.96
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1C	REAL250004639687	0	37	-1.0	-57.34	298.32	3.07	-54.27
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1C	REAL250004639687	1	37	-1.0	-57.37	298.37	3.10	-54.27
C=CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639688	0	40	-1.0	-50.27	328.53	6.50	-43.77
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CCC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639690	0	37	-1.0	-57.00	304.20	3.25	-53.75
CCC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639690	1	37	-1.0	-56.98	304.25	3.27	-53.71
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CCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004639700	1	35	-1.0	-50.78	295.68	2.12	-48.66
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CC1=CC(F)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639702	0	33	-1.0	-51.91	278.67	4.32	-47.59
CC1=CC(F)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639702	1	33	-1.0	-51.92	278.73	4.33	-47.59
CCC(SC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639703	0	33	-1.0	-51.04	271.55	3.31	-47.73
CCC(SC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639703	1	33	-1.0	-51.10	271.61	3.34	-47.76
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CC=C1	REAL250004639704	0	34	-1.0	-55.36	278.20	4.07	-51.29
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CC=C1	REAL250004639704	1	34	-1.0	-55.34	278.25	4.09	-51.25
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CCN(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004639706	1	38	-1.0	-52.43	300.88	2.48	-49.95
CCN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004639706	1	38	-1.0	-52.43	300.93	2.51	-49.92
CC(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639707	0	35	-1.0	-52.66	300.77	2.72	-49.94
CC(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639707	1	35	-1.0	-52.65	300.83	2.74	-49.91
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CC(=O)C(C)(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639709	0	40	-1.0	-62.94	315.20	3.91	-59.03
CC(=O)C(C)(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639709	1	40	-1.0	-62.96	315.25	3.93	-59.03
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CC1(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1	REAL250004639711	0	37	-1.0	-56.35	296.42	3.84	-52.51
CC1(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1	REAL250004639711	1	37	-1.0	-56.35	296.48	3.87	-52.48
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NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639714	0	31	-1.0	-50.79	274.52	-1.11	-51.90
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639714	1	31	-1.0	-50.81	274.57	-1.09	-51.90
CC1=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=CC=C1	REAL250004639715	0	37	-1.0	-52.58	305.30	4.75	-47.83
CC1=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=CC=C1	REAL250004639715	1	37	-1.0	-52.57	305.24	4.73	-47.84
CCC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639716	0	40	-1.0	-60.50	320.66	2.87	-57.63
CCC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639716	1	40	-1.0	-60.53	320.72	2.90	-57.63
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC(=O)N1	REAL250004639717	0	33	-1.0	-53.54	280.26	1.34	-52.20
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC(=O)N1	REAL250004639717	1	33	-1.0	-53.58	280.31	1.36	-52.22
CC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004639718	0	31	-1.0	-46.57	266.07	-0.64	-47.21
CC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004639718	1	31	-1.0	-46.61	266.13	-0.61	-47.22
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639719	0	38	-1.0	-43.61	299.48	2.98	-40.63
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639719	1	38	-1.0	-43.63	299.55	2.98	-40.65
CC1=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1	REAL250004639720	0	42	-1.0	-51.81	343.45	6.80	-45.01
CC1=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1	REAL250004639720	1	42	-1.0	-51.83	343.51	6.83	-45.00
CC1(C)CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639721	0	45	-1.0	-52.89	333.05	5.82	-47.07
CC1(C)CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639721	1	45	-1.0	-52.87	333.11	5.85	-47.02
CC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639722	0	35	-1.0	-64.59	292.01	3.95	-60.64
CC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639722	1	35	-1.0	-64.59	292.07	3.98	-60.61
CCC(C)OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639723	0	36	-1.0	-55.82	294.82	3.57	-52.25
CCC(C)OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639723	1	36	-1.0	-55.80	294.88	3.60	-52.20
CC(C)C(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639724	0	36	-1.0	-55.04	285.44	1.55	-53.49
CC(C)C(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639724	1	36	-1.0	-55.01	285.50	1.57	-53.44
CC1=CC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639725	0	33	-1.0	-51.84	288.98	4.77	-47.07
CC1=CC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639725	1	33	-1.0	-51.87	289.05	4.78	-47.09
O=C(CC1COC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639727	0	33	-1.0	-51.54	276.29	2.81	-48.73
O=C(CC1COC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639727	1	33	-1.0	-51.51	276.35	2.84	-48.67
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC=N1	REAL250004639728	0	31	-1.0	-49.96	265.25	3.14	-46.82
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC=N1	REAL250004639728	1	31	-1.0	-50.02	265.31	3.17	-46.85
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1(O)CCC1	REAL250004639729	0	34	-1.0	-49.86	283.41	0.86	-49.00
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1(O)CCC1	REAL250004639729	1	34	-1.0	-49.86	283.47	0.89	-48.97
CC(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639730	0	42	-1.0	-53.64	336.43	6.61	-47.03
CC(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639730	1	42	-1.0	-53.64	336.49	6.64	-47.00
CCOC(=O)NCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639731	0	40	-1.0	-53.61	334.22	1.13	-52.48
CCOC(=O)NCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639731	1	40	-1.0	-53.59	334.28	1.16	-52.43
CC1(C)CCCCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639732	0	45	-1.0	-52.46	325.82	5.55	-46.91
CC1(C)CCCCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639732	1	45	-1.0	-52.49	325.87	5.58	-46.91
O=C(CC1CSCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639733	0	35	-1.0	-52.72	301.63	4.52	-48.20
O=C(CC1CSCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639733	1	35	-1.0	-52.73	301.69	4.54	-48.19
O=C(C1=CC2=C(C=CO2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639734	0	31	-1.0	-54.80	264.01	2.14	-52.66
O=C(C1=CC2=C(C=CO2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639734	1	31	-1.0	-54.80	263.95	2.12	-52.68
CCCC(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639735	0	36	-1.0	-55.33	292.89	1.60	-53.73
CCCC(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639735	1	36	-1.0	-55.36	292.94	1.63	-53.73
O=C(C1=CC2=CN=CN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639736	0	33	-1.0	-55.02	286.28	5.27	-49.75
O=C(C1=CC2=CN=CN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639736	1	33	-1.0	-55.03	286.34	5.28	-49.75
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCSCC1	REAL250004639737	0	39	-1.0	-51.87	306.46	2.13	-49.74
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCSCC1	REAL250004639737	1	39	-1.0	-51.84	306.51	2.15	-49.69
O=C(C1=C2CCCCN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639738	0	37	-1.0	-54.00	296.01	3.00	-51.00
O=C(C1=C2CCCCN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639738	1	37	-1.0	-53.97	296.07	3.02	-50.95
CC1=NC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639739	0	32	-1.0	-47.47	282.61	2.88	-44.59
CC1=NC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639739	1	32	-1.0	-47.51	282.66	2.90	-44.61
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)S1	REAL250004639740	0	32	-1.0	-52.83	277.65	2.94	-49.89
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)S1	REAL250004639740	1	32	-1.0	-52.83	277.71	2.96	-49.87
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=N1	REAL250004639741	0	32	-1.0	-52.29	274.66	1.99	-50.30
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=N1	REAL250004639741	1	32	-1.0	-52.28	274.72	2.01	-50.27
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004639742	0	29	-1.0	-49.22	258.20	2.21	-47.01
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CC1=NSC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639758	1	29	-1.0	-49.14	255.51	1.90	-47.24
O=C(C1=CC2=NNN=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639759	0	31	-1.0	-43.53	259.52	-0.59	-44.12
O=C(C1=CC2=NNN=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639759	1	31	-1.0	-43.56	259.59	-0.59	-44.15
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CC1OCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639764	1	34	-1.0	-53.08	269.17	1.83	-51.25
CCC(C)CCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639765	0	44	-1.0	-51.83	341.03	5.96	-45.87
CCC(C)CCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639765	1	44	-1.0	-51.86	341.08	5.98	-45.88
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CC1=CC(C)=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL250004639767	0	42	-1.0	-53.55	334.75	6.35	-47.20
CC1=CC(C)=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL250004639767	1	42	-1.0	-53.53	334.81	6.37	-47.16
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CCCCCC(CC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639769	0	44	-1.0	-53.16	333.51	5.57	-47.59
CCCCCC(CC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639769	1	44	-1.0	-53.20	333.57	5.59	-47.61
CC1=CC=C(CC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639770	0	42	-1.0	-52.45	333.79	6.38	-46.07
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CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004639771	1	36	-1.0	-53.23	299.92	5.44	-47.79
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COCCCC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639776	0	39	-1.0	-52.19	307.77	2.50	-49.69
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CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1O	REAL250004639779	0	37	-1.0	-56.73	310.36	2.57	-54.16
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CCC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639781	0	35	-1.0	-54.89	291.49	4.16	-50.73
CCC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639781	1	35	-1.0	-54.90	291.55	4.19	-50.71
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1CC	REAL250004639782	0	42	-1.0	-54.45	327.64	6.11	-48.34
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1CC	REAL250004639782	1	42	-1.0	-54.47	327.70	6.13	-48.34
CC1=CC=CC(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639783	0	39	-1.0	-53.18	313.34	5.69	-47.49
CC1=CC=CC(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639783	1	39	-1.0	-53.19	313.39	5.72	-47.47
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COC1=NC(C)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639785	0	36	-1.0	-57.83	299.01	1.90	-55.93
COC1=NC(C)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639785	1	36	-1.0	-57.83	299.07	1.92	-55.91
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CCCC(CCC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639787	0	44	-1.0	-52.64	332.78	5.75	-46.89
CCCC(CCC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639787	1	44	-1.0	-52.66	332.84	5.78	-46.88
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CCCC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CCC	REAL250004639789	0	42	-1.0	-50.93	331.19	5.99	-44.94
CCCC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CCC	REAL250004639789	1	42	-1.0	-50.91	331.25	6.01	-44.90
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1O	REAL250004639790	0	34	-1.0	-43.65	282.34	1.14	-42.51
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1O	REAL250004639790	1	34	-1.0	-43.63	282.40	1.15	-42.48
O=C(C1=CC=C2C=CNC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639791	0	33	-1.0	-56.36	279.75	3.81	-52.55
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CC1=CC(O)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639792	0	34	-1.0	-38.59	275.87	0.94	-37.65
CC1=CC(O)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639792	1	34	-1.0	-38.61	275.93	0.94	-37.67
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN=C21	REAL250004639793	0	35	-1.0	-49.48	288.09	3.38	-46.10
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN=C21	REAL250004639793	1	35	-1.0	-49.46	288.02	3.38	-46.08
CSC(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639794	0	36	-1.0	-53.24	301.69	4.23	-49.01
CSC(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639794	1	36	-1.0	-53.26	301.75	4.26	-49.00
O=C(C1=CC=C2C=CC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639795	0	33	-1.0	-67.08	277.81	3.37	-63.71
O=C(C1=CC=C2C=CC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639795	1	33	-1.0	-67.09	277.76	3.35	-63.74
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CC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=N1	REAL250004639797	0	34	-1.0	-48.45	280.87	2.07	-46.38
CC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=N1	REAL250004639797	1	34	-1.0	-48.40	280.93	2.09	-46.31
CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(=O)N1	REAL250004639798	0	36	-1.0	-58.58	306.94	2.06	-56.52
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(=O)N1	REAL250004639798	1	36	-1.0	-58.55	307.00	2.07	-56.48
CCC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639799	0	36	-1.0	-54.48	296.26	2.70	-51.78
CCC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639799	1	36	-1.0	-54.47	296.32	2.72	-51.75
O=C(C1=CC2=C(CCC2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639800	0	35	-1.0	-55.87	282.51	3.78	-52.09
O=C(C1=CC2=C(CCC2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639800	1	35	-1.0	-55.86	282.57	3.80	-52.06
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C(C)C	REAL250004639801	0	39	-1.0	-52.62	312.88	3.41	-49.21
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C(C)C	REAL250004639801	1	39	-1.0	-52.58	312.93	3.43	-49.15
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1	REAL250004639802	0	40	-1.0	-53.61	331.03	6.46	-47.15
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1	REAL250004639802	1	40	-1.0	-53.58	331.08	6.49	-47.09
COC(=O)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639803	0	32	-1.0	-47.05	287.58	1.89	-45.16
COC(=O)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639803	1	32	-1.0	-47.02	287.52	1.86	-45.16
COCC(=O)N(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639804	0	37	-1.0	-67.61	309.86	1.89	-65.72
COCC(=O)N(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639804	1	37	-1.0	-67.63	309.91	1.91	-65.72
O=C(C1SCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639805	0	29	-1.0	-51.92	257.55	2.90	-49.02
O=C(C1SCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639805	1	29	-1.0	-51.90	257.61	2.93	-48.97
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N=N1	REAL250004639806	0	34	-1.0	-48.36	282.52	2.00	-46.36
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N=N1	REAL250004639806	1	34	-1.0	-48.36	282.58	2.02	-46.34
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1F	REAL250004639807	0	34	-1.0	-43.69	278.18	2.41	-41.28
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1F	REAL250004639807	1	34	-1.0	-43.68	278.26	2.42	-41.26
O=C(C1=CNC2=NC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639808	0	32	-1.0	-51.68	279.80	2.69	-48.99
O=C(C1=CNC2=NC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639808	1	32	-1.0	-51.67	279.74	2.68	-48.99
CC1=CN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639809	0	32	-1.0	-56.39	285.97	2.57	-53.82
CC1=CN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639809	1	32	-1.0	-56.43	286.03	2.59	-53.84
CC1(C)CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639810	0	42	-1.0	-53.72	310.05	4.80	-48.92
CC1(C)CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639810	1	42	-1.0	-53.71	310.11	4.83	-48.88
O=C(C1=CC=CC(F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639811	0	29	-1.0	-51.24	254.97	2.70	-48.54
O=C(C1=CC=CC(F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639811	1	29	-1.0	-51.24	254.92	2.68	-48.56
CC(=O)CCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639812	0	43	-1.0	-54.94	349.94	5.49	-49.45
CC(=O)CCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639812	1	43	-1.0	-54.98	350.00	5.52	-49.46
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639813	0	37	-1.0	-58.45	302.65	4.37	-54.08
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639813	1	37	-1.0	-58.46	302.71	4.40	-54.06
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(=O)N1	REAL250004639814	0	33	-1.0	-59.75	285.25	1.34	-58.41
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(=O)N1	REAL250004639814	1	33	-1.0	-59.72	285.31	1.36	-58.36
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639815	0	32	-1.0	-49.65	288.71	2.20	-47.45
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639815	1	32	-1.0	-49.66	288.65	2.19	-47.47
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=NC=N1	REAL250004639816	0	32	-1.0	-54.53	268.56	3.55	-50.98
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=NC=N1	REAL250004639816	1	32	-1.0	-54.48	268.50	3.52	-50.96
CC1=C(C#N)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004639817	0	33	-1.0	-55.41	297.56	3.27	-52.14
CC1=C(C#N)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004639817	1	33	-1.0	-55.39	297.61	3.30	-52.09
O=C(C1CCC2=NNC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639818	0	37	-1.0	-53.96	294.14	2.44	-51.52
O=C(C1CCC2=NNC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639818	1	37	-1.0	-53.96	294.20	2.46	-51.50
O=C(CCC1=CN=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639819	0	35	-1.0	-50.40	301.95	3.79	-46.61
O=C(CCC1=CN=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639819	1	35	-1.0	-50.41	301.89	3.76	-46.65
O=C(C1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639820	0	30	-1.0	-50.73	273.33	4.12	-46.61
O=C(C1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639820	1	30	-1.0	-50.75	273.38	4.15	-46.60
COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639821	0	34	-1.0	-48.73	283.97	-0.67	-49.40
COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639821	1	34	-1.0	-48.75	284.03	-0.65	-49.40
N#CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004639822	0	34	-1.0	-59.00	292.94	4.72	-54.28
N#CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004639822	1	34	-1.0	-58.98	292.99	4.75	-54.23
CC(C)(C)SCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639823	0	42	-1.0	-54.74	341.82	5.67	-49.07
CC(C)(C)SCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639823	1	42	-1.0	-54.72	341.88	5.70	-49.02
C=C(C)C(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)OCC	REAL250004639824	0	40	-1.0	-52.31	327.13	4.43	-47.88
C=C(C)C(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)OCC	REAL250004639824	1	40	-1.0	-52.30	327.19	4.46	-47.84
CC(O)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004639825	0	37	-1.0	-48.12	289.18	2.52	-45.60
CC(O)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004639825	1	37	-1.0	-48.16	289.24	2.53	-45.63
CCC(CC)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639826	0	41	-1.0	-52.18	303.16	4.54	-47.64
CCC(CC)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639826	1	41	-1.0	-52.21	303.21	4.56	-47.65
CC1=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C	REAL250004639827	0	39	-1.0	-54.96	322.05	3.71	-51.25
CC1=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C	REAL250004639827	1	39	-1.0	-54.91	322.11	3.73	-51.18
COC1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639828	0	43	-1.0	-54.42	331.54	3.93	-50.49
COC1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639828	1	43	-1.0	-54.43	331.59	3.96	-50.47
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004639829	0	37	-1.0	-54.75	288.39	2.28	-52.47
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004639829	1	37	-1.0	-54.81	288.45	2.31	-52.50
CC1=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C	REAL250004639830	0	37	-1.0	-55.99	310.01	3.43	-52.56
CC1=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C	REAL250004639830	1	37	-1.0	-55.97	310.07	3.46	-52.51
O=C(C1=CC=C(O)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639831	0	31	-1.0	-54.62	267.96	0.79	-53.83
O=C(C1=CC=C(O)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639831	1	31	-1.0	-54.63	268.01	0.81	-53.82
CNC1=NN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639832	0	33	-1.0	-60.70	297.06	0.91	-59.79
CNC1=NN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639832	1	33	-1.0	-60.68	297.12	0.94	-59.74
CCC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639833	0	37	-1.0	-52.91	314.16	4.94	-47.97
CCC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639833	1	37	-1.0	-52.91	314.23	4.97	-47.94
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639834	0	36	-1.0	-52.40	305.07	4.76	-47.64
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639834	1	36	-1.0	-52.42	305.13	4.77	-47.65
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004639835	0	37	-1.0	-55.71	301.13	3.17	-52.54
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004639835	1	37	-1.0	-55.73	301.07	3.14	-52.59
CN1CCN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL250004639836	0	39	-1.0	-57.65	307.04	-0.28	-57.93
CN1CCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL250004639836	1	39	-1.0	-57.63	307.10	-0.25	-57.88
O=C(C1=NC=CC=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639837	0	30	-1.0	-55.55	257.34	1.29	-54.26
O=C(C1=NC=CC=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639837	1	30	-1.0	-55.57	257.40	1.31	-54.26
O=C(C1=C2SC=CC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639838	0	33	-1.0	-57.62	287.34	4.94	-52.68
O=C(C1=C2SC=CC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639838	1	33	-1.0	-57.63	287.28	4.91	-52.72
O=C(C1CC12CCOC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639839	0	35	-1.0	-57.86	282.71	2.28	-55.58
O=C(C1CC12CCOC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639839	1	35	-1.0	-57.87	282.77	2.30	-55.57
CN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004639840	0	32	-1.0	-53.04	267.81	0.30	-52.74
CN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004639840	1	32	-1.0	-53.01	267.75	0.29	-52.72
CCCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004639841	0	35	-1.0	-50.43	295.51	1.59	-48.84
CCCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004639841	1	35	-1.0	-50.43	295.57	1.61	-48.82
O=C(C1=COC(C2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639842	0	33	-1.0	-51.04	283.98	1.64	-49.40
O=C(C1=COC(C2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639842	1	33	-1.0	-51.08	284.04	1.67	-49.41
O=C(C1=CSC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639843	0	27	-1.0	-36.45	240.47	-1.03	-37.48
O=C(C1=CSC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639843	1	27	-1.0	-36.46	240.54	-1.04	-37.50
CC(C)(O)C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639844	0	33	-1.0	-48.14	273.89	0.96	-47.18
CC(C)(O)C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639844	1	33	-1.0	-48.15	273.95	0.99	-47.16
CC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1	REAL250004639845	0	33	-1.0	-54.92	278.80	1.91	-53.01
CC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1	REAL250004639845	1	33	-1.0	-54.92	278.86	1.94	-52.98
O=C(C1=C2C=CC=NN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639846	0	32	-1.0	-58.32	272.96	1.67	-56.65
O=C(C1=C2C=CC=NN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639846	1	32	-1.0	-58.31	272.90	1.64	-56.67
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC(C2CC2)=N1	REAL250004639847	0	36	-1.0	-50.26	302.01	1.82	-48.44
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC(C2CC2)=N1	REAL250004639847	1	36	-1.0	-50.25	302.06	1.83	-48.42
O=C(CC1=CC=C2COCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639848	0	38	-1.0	-53.83	315.23	3.97	-49.86
O=C(CC1=CC=C2COCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639848	1	38	-1.0	-53.82	315.29	3.99	-49.83
CC(CCC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639849	0	44	-1.0	-52.87	329.34	5.14	-47.73
CC(CCC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639849	1	44	-1.0	-52.86	329.40	5.16	-47.70
O=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004639850	0	32	-1.0	-44.69	278.73	3.90	-40.79
O=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004639850	1	32	-1.0	-44.68	278.79	3.92	-40.76
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1C	REAL250004639851	0	37	-1.0	-52.65	298.67	2.61	-50.04
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1C	REAL250004639851	1	37	-1.0	-52.69	298.72	2.62	-50.07
CN1N=NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL250004639852	0	35	-1.0	-53.24	293.86	2.15	-51.09
CN1N=NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL250004639852	1	35	-1.0	-53.27	293.80	2.12	-51.15
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004639853	0	43	-1.0	-51.04	324.90	3.70	-47.34
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004639853	1	43	-1.0	-51.06	324.96	3.72	-47.34
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CC1CCCN(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639855	0	40	-1.0	-45.62	311.32	2.96	-42.66
CC1CCCN(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639855	1	40	-1.0	-45.63	311.38	2.97	-42.66
NC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639856	0	33	-1.0	-51.82	282.85	-0.42	-52.24
NC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639856	1	33	-1.0	-51.85	282.80	-0.45	-52.30
COC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639857	0	30	-1.0	-46.28	263.44	-0.69	-46.97
COC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639857	1	30	-1.0	-46.27	263.39	-0.71	-46.98
CCOC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004639858	0	33	-1.0	-49.49	285.38	-0.38	-49.87
CCOC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004639858	1	33	-1.0	-49.46	285.32	-0.40	-49.86
CCC1=NN=C(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639859	0	37	-1.0	-48.03	301.78	2.69	-45.34
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CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N=N1	REAL250004639860	0	37	-1.0	-47.97	303.24	2.77	-45.20
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N=N1	REAL250004639860	1	37	-1.0	-47.96	303.30	2.78	-45.18
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NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004639861	1	31	-1.0	-52.41	270.89	-1.55	-53.96
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CCC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004639863	0	43	-1.0	-51.82	325.57	3.93	-47.89
CCC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004639863	1	43	-1.0	-51.85	325.63	3.95	-47.90
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COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1O	REAL250004639865	0	35	-1.0	-54.71	290.95	0.70	-54.01
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1O	REAL250004639865	1	35	-1.0	-54.71	291.00	0.72	-53.99
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CCNC(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639870	0	33	-1.0	-64.85	276.83	1.57	-63.28
CCNC(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639870	1	33	-1.0	-64.85	276.89	1.60	-63.25
CNC(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639871	0	36	-1.0	-65.20	300.37	0.78	-64.42
CNC(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639871	1	36	-1.0	-65.18	300.42	0.81	-64.37
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CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004639873	0	36	-1.0	-57.31	297.92	3.18	-54.13
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004639873	1	36	-1.0	-57.35	297.98	3.20	-54.15
O=C(C1=CC2=NC=CN=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639874	0	33	-1.0	-56.14	281.89	1.08	-55.06
O=C(C1=CC2=NC=CN=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639874	1	33	-1.0	-56.12	281.83	1.06	-55.06
C#CCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639875	0	37	-1.0	-54.21	311.01	5.31	-48.90
C#CCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639875	1	37	-1.0	-54.20	311.07	5.34	-48.86
CC1CC(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639876	0	42	-1.0	-53.26	310.73	4.90	-48.36
CC1CC(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639876	1	42	-1.0	-53.25	310.79	4.93	-48.32
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639877	0	39	-1.0	-54.23	301.63	4.58	-49.65
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639877	1	39	-1.0	-54.22	301.69	4.59	-49.63
CCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639878	0	36	-1.0	-53.12	297.32	2.98	-50.14
CCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639878	1	36	-1.0	-53.12	297.27	2.97	-50.15
COC(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639879	0	36	-1.0	-53.66	293.93	2.30	-51.36
COC(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639879	1	36	-1.0	-53.68	293.99	2.32	-51.36
C[C@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639880	0	36	-1.0	-55.89	296.22	5.09	-50.80
C[C@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639880	1	36	-1.0	-55.90	296.27	5.10	-50.80
C[C@@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639881	0	36	-1.0	-55.14	290.85	4.89	-50.25
C[C@@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639881	1	36	-1.0	-55.15	290.91	4.91	-50.24
CCC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004639882	0	40	-1.0	-54.66	303.14	3.00	-51.66
CCC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004639882	1	40	-1.0	-54.70	303.19	3.02	-51.68
CC(C)CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639883	0	39	-1.0	-53.42	317.11	3.75	-49.67
CC(C)CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639883	1	39	-1.0	-53.46	317.05	3.73	-49.73
CCC(C)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639884	0	38	-1.0	-52.02	286.50	3.87	-48.15
CCC(C)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639884	1	38	-1.0	-52.07	286.55	3.90	-48.17
CC(C)OCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639885	0	39	-1.0	-54.69	316.53	3.24	-51.45
CC(C)OCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639885	1	39	-1.0	-54.71	316.59	3.26	-51.45
O=C(C1CCCCS1(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639886	0	36	-1.0	-69.49	297.15	0.97	-68.52
O=C(C1CCCCS1(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639886	1	36	-1.0	-69.52	297.21	0.99	-68.53
O=C(NCC(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639887	0	30	-1.0	-49.10	267.92	-0.31	-49.41
O=C(NCC(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639887	1	30	-1.0	-49.07	267.97	-0.29	-49.36
O=C(C1=NN2CCCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639888	0	35	-1.0	-56.34	290.42	1.04	-55.30
O=C(C1=NN2CCCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639888	1	35	-1.0	-56.32	290.36	1.01	-55.31
O=C(C1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639889	0	37	-1.0	-53.04	299.91	5.62	-47.42
O=C(C1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639889	1	37	-1.0	-53.02	299.96	5.63	-47.39
COC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1	REAL250004639890	0	37	-1.0	-55.74	294.36	3.56	-52.18
COC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1	REAL250004639890	1	37	-1.0	-55.75	294.41	3.58	-52.17
CC1OCCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639891	0	37	-1.0	-55.74	285.29	3.45	-52.29
CC1OCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639891	1	37	-1.0	-55.71	285.35	3.47	-52.24
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCO1	REAL250004639892	0	38	-1.0	-53.43	302.75	3.77	-49.66
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCO1	REAL250004639892	1	38	-1.0	-53.39	302.81	3.78	-49.61
O=C(C1=CNN=C1[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639893	0	29	-1.0	-61.72	258.73	2.60	-59.12
O=C(C1=CNN=C1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639893	1	29	-1.0	-61.73	258.79	2.62	-59.11
CC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL250004639894	0	30	-1.0	-54.35	275.14	3.59	-50.76
CC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL250004639894	1	30	-1.0	-54.34	275.20	3.61	-50.73
O=C(C1=CC=C(C2CCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639895	0	40	-1.0	-53.50	316.39	6.14	-47.36
O=C(C1=CC=C(C2CCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639895	1	40	-1.0	-53.51	316.45	6.17	-47.34
O=C(CCC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639896	0	35	-1.0	-53.85	294.81	3.71	-50.14
O=C(CCC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639896	1	35	-1.0	-53.85	294.87	3.73	-50.12
O=C(C1=CC(Cl)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639897	0	27	-1.0	-51.18	259.11	3.12	-48.06
O=C(C1=CC(Cl)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639897	1	27	-1.0	-51.17	259.17	3.14	-48.03
O=C(CCC1=CC=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639898	0	34	-1.0	-52.67	289.90	3.49	-49.18
O=C(CCC1=CC=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639898	1	34	-1.0	-52.65	289.96	3.51	-49.14
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C(Cl)S1	REAL250004639899	0	29	-1.0	-48.87	272.86	2.78	-46.09
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C(Cl)S1	REAL250004639899	1	29	-1.0	-48.86	272.81	2.76	-46.10
CC1=CN2C=CN=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=N1	REAL250004639901	0	35	-1.0	-67.55	297.14	4.06	-63.49
CC1=CN2C=CN=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=N1	REAL250004639901	1	35	-1.0	-67.51	297.09	4.04	-63.47
CCC(C(=O)OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639902	0	35	-1.0	-59.54	284.54	3.87	-55.67
CCC(C(=O)OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639902	1	35	-1.0	-59.51	284.60	3.88	-55.63
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(O)=C1	REAL250004639903	0	37	-1.0	-56.56	304.19	3.25	-53.31
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(O)=C1	REAL250004639903	1	37	-1.0	-56.54	304.25	3.27	-53.27
O=C(C1=CN=CC(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639904	0	28	-1.0	-47.66	260.25	1.28	-46.38
O=C(C1=CN=CC(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639904	1	28	-1.0	-47.66	260.19	1.26	-46.40
O=C(C1=CSC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639905	0	27	-1.0	-49.43	258.02	3.15	-46.28
O=C(C1=CSC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639905	1	27	-1.0	-49.43	258.07	3.16	-46.27
COC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639906	0	40	-1.0	-59.30	302.04	2.78	-56.52
COC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639906	1	40	-1.0	-59.33	302.10	2.80	-56.53
O=C(C1=CNC=C(F)C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639907	0	30	-1.0	-53.40	249.90	0.16	-53.24
O=C(C1=CNC=C(F)C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639907	1	30	-1.0	-53.39	249.97	0.14	-53.25
O=C(CCN1C=CN=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639908	0	32	-1.0	-52.60	275.57	1.43	-51.17
O=C(CCN1C=CN=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639908	1	32	-1.0	-52.64	275.52	1.40	-51.24
O=C(CC1OCCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639909	0	35	-1.0	-52.41	284.56	2.06	-50.35
O=C(CC1OCCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639909	1	35	-1.0	-52.39	284.62	2.09	-50.30
O=C(CC1OCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639910	0	32	-1.0	-53.79	266.38	1.12	-52.67
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CCN1C=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639911	1	36	-1.0	-54.56	303.61	3.32	-51.24
CC(C)N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639912	0	36	-1.0	-53.22	294.47	2.74	-50.48
CC(C)N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639912	1	36	-1.0	-53.19	294.41	2.72	-50.47
NC(=O)C1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639913	0	40	-1.0	-50.51	305.28	0.43	-50.08
NC(=O)C1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639913	1	40	-1.0	-50.55	305.34	0.45	-50.10
CCC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639914	0	39	-1.0	-53.22	314.94	5.81	-47.41
CCC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639914	1	39	-1.0	-53.20	315.00	5.83	-47.37
CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004639915	0	41	-1.0	-58.82	315.34	4.39	-54.43
CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004639915	1	41	-1.0	-58.79	315.40	4.41	-54.38
COC1=CC(C)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639916	0	37	-1.0	-58.40	301.18	4.53	-53.87
COC1=CC(C)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639916	1	37	-1.0	-58.37	301.23	4.55	-53.82
O=C(C=CC1=CC=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639917	0	32	-1.0	-55.34	273.30	3.05	-52.29
O=C(C=CC1=CC=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639917	1	32	-1.0	-55.35	273.36	3.07	-52.28
O=C(C1=CC=NC(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639918	0	29	-1.0	-54.72	258.53	1.80	-52.92
O=C(C1=CC=NC(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639918	1	29	-1.0	-54.74	258.47	1.78	-52.96
O=C(CCC1=CNC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639919	0	33	-1.0	-57.03	280.03	3.00	-54.03
O=C(CCC1=CNC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639919	1	33	-1.0	-57.05	280.08	3.03	-54.02
O=C(CCC1=CN=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639919	1	33	-1.0	-52.02	280.02	2.99	-49.03
O=C(C=CC1=CNC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639920	0	31	-1.0	-57.74	269.99	2.89	-54.85
O=C(C=CC1=CNC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639920	1	31	-1.0	-57.75	270.04	2.92	-54.83
CC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639921	0	40	-1.0	-59.32	307.84	4.17	-55.15
CC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639921	1	40	-1.0	-59.31	307.90	4.19	-55.12
CC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639922	0	34	-1.0	-55.72	286.61	1.53	-54.19
CC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639922	1	34	-1.0	-55.70	286.67	1.55	-54.15
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1O	REAL250004639923	0	32	-1.0	-38.20	275.24	0.60	-37.60
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1O	REAL250004639923	1	32	-1.0	-38.24	275.31	0.61	-37.63
O=C(NCC1CC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639924	0	34	-1.0	-45.36	286.69	0.90	-44.46
O=C(NCC1CC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639924	1	34	-1.0	-45.39	286.75	0.93	-44.46
COCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639925	0	37	-1.0	-52.01	305.66	1.34	-50.67
COCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639925	1	37	-1.0	-51.99	305.61	1.31	-50.68
CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639926	0	42	-1.0	-52.77	319.67	5.35	-47.42
CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639926	1	42	-1.0	-52.80	319.73	5.36	-47.44
CC(C)C1(C)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639927	0	39	-1.0	-52.25	297.20	4.71	-47.54
CC(C)C1(C)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639927	1	39	-1.0	-52.22	297.26	4.74	-47.48
COCCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639928	0	37	-1.0	-55.37	312.31	1.90	-53.47
COCCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639928	1	37	-1.0	-55.39	312.26	1.88	-53.51
O=C(CC1=CN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639929	0	29	-1.0	-53.84	264.07	1.95	-51.89
O=C(CC1=CN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639929	1	29	-1.0	-53.86	264.01	1.93	-51.93
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004639930	0	34	-1.0	-56.04	280.94	0.31	-55.73
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004639930	1	34	-1.0	-56.00	280.88	0.29	-55.71
CNC(=O)CCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639931	0	39	-1.0	-54.88	321.85	1.56	-53.32
CNC(=O)CCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639931	1	39	-1.0	-54.87	321.91	1.59	-53.28
O=C(C(O)C1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639932	0	40	-1.0	-51.88	303.79	2.73	-49.15
O=C(C(O)C1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639932	1	40	-1.0	-51.91	303.84	2.74	-49.17
O=C(C1=C2C=NC=CN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639933	0	32	-1.0	-55.41	272.32	1.56	-53.85
O=C(C1=C2C=NC=CN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639933	1	32	-1.0	-55.40	272.26	1.53	-53.87
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CO1	REAL250004639934	0	34	-1.0	-52.00	272.86	1.68	-50.32
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CO1	REAL250004639934	1	34	-1.0	-51.99	272.92	1.69	-50.30
O=C(CC1=CC2=NNC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639935	0	36	-1.0	-63.73	305.51	3.38	-60.35
O=C(CC1=CC2=NNC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639935	1	36	-1.0	-63.75	305.57	3.41	-60.34
CN1C=NC=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639936	0	36	-1.0	-51.89	301.22	4.60	-47.29
CN1C=NC=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639936	1	36	-1.0	-51.91	301.28	4.62	-47.29
CC1OC(=O)NC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639937	0	32	-1.0	-57.37	267.94	-1.25	-58.62
CC1OC(=O)NC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639937	1	32	-1.0	-57.34	267.99	-1.23	-58.57
CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639938	0	33	-1.0	-50.60	271.19	2.27	-48.33
CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639938	1	33	-1.0	-50.60	271.13	2.26	-48.34
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639939	0	32	-1.0	-45.38	281.04	3.10	-42.28
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639939	1	32	-1.0	-45.37	280.99	3.09	-42.28
O=C(C1=CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639940	0	37	-1.0	-54.46	290.78	4.56	-49.90
O=C(C1=CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639940	1	37	-1.0	-54.43	290.83	4.57	-49.86
O=C(C1=C(O)C=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639941	1	31	-1.0	-58.80	275.79	1.08	-57.72
O=C(C1=C(O)C=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639941	1	31	-1.0	-58.76	275.85	1.11	-57.65
CC1=CN=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639942	0	35	-1.0	-53.44	295.55	3.53	-49.91
CC1=CN=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639942	1	35	-1.0	-53.47	295.61	3.55	-49.92
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N(C)C=C1	REAL250004639943	0	34	-1.0	-51.59	287.26	3.97	-47.62
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N(C)C=C1	REAL250004639943	1	34	-1.0	-51.54	287.20	3.96	-47.58
CN1N=C2C=CC=CC2=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639944	0	36	-1.0	-50.83	306.76	3.76	-47.07
CN1N=C2C=CC=CC2=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639944	1	36	-1.0	-50.83	306.70	3.75	-47.08
CN1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004639945	0	34	-1.0	-52.81	276.03	1.42	-51.39
CN1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004639945	1	34	-1.0	-52.79	276.08	1.44	-51.35
CC1(C)CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639946	0	39	-1.0	-51.60	292.79	4.32	-47.28
CC1(C)CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639946	1	39	-1.0	-51.58	292.85	4.34	-47.24
CCOC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004639947	0	40	-1.0	-51.30	322.35	3.68	-47.62
CCOC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639947	1	40	-1.0	-51.26	322.40	3.71	-47.55
O=C(C1=CC=CC(O)=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639948	0	32	-1.0	-45.07	264.67	-0.69	-45.76
O=C(C1=CC=CC(O)=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639948	1	32	-1.0	-45.09	264.74	-0.70	-45.79
CN1C=NC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639949	0	33	-1.0	-59.70	279.04	3.75	-55.95
CN1C=NC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639949	1	33	-1.0	-59.75	279.10	3.78	-55.97
CC(C)(O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639950	0	36	-1.0	-50.75	289.11	0.49	-50.26
CC(C)(O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639950	1	36	-1.0	-50.80	289.17	0.52	-50.28
CN1N=CC=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639951	0	36	-1.0	-50.84	300.91	3.01	-47.83
CN1N=CC=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639951	1	36	-1.0	-50.84	300.97	3.04	-47.80
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(F)CCCC1	REAL250004639952	0	33	-1.0	-51.18	263.85	3.37	-47.81
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(F)CCCC1	REAL250004639952	1	33	-1.0	-51.18	263.91	3.40	-47.78
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(Cl)=N1	REAL250004639953	0	32	-1.0	-39.53	276.88	2.36	-37.17
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(Cl)=N1	REAL250004639953	1	32	-1.0	-39.55	276.94	2.36	-37.19
N#CC1=CC(O)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639954	0	32	-1.0	-40.99	276.96	0.59	-40.40
N#CC1=CC(O)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639954	1	32	-1.0	-40.98	277.02	0.59	-40.39
CC1=CN=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639955	0	35	-1.0	-53.43	291.30	3.37	-50.06
CC1=CN=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639955	1	35	-1.0	-53.42	291.36	3.39	-50.03
O=C(CC1=CC=CC=C1CO)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639956	0	37	-1.0	-54.98	306.29	2.02	-52.96
O=C(CC1=CC=CC=C1CO)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639956	1	37	-1.0	-54.96	306.34	2.05	-52.91
O=C(CC1C=CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639957	0	37	-1.0	-54.77	291.39	4.84	-49.93
O=C(CC1C=CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639957	1	37	-1.0	-54.79	291.45	4.86	-49.93
CC1CCCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639958	0	39	-1.0	-52.32	302.92	4.92	-47.40
CC1CCCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639958	1	39	-1.0	-52.30	302.98	4.94	-47.36
CN1C(=O)CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639959	0	34	-1.0	-58.50	282.59	1.97	-56.53
CN1C(=O)CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639959	1	34	-1.0	-58.53	282.64	2.00	-56.53
O=C(C1=CC=NC2=CC=NC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639961	0	34	-1.0	-53.92	284.21	2.13	-51.79
O=C(C1=CC=NC2=CC=NC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639961	1	34	-1.0	-53.89	284.15	2.11	-51.78
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004639962	0	36	-1.0	-51.66	291.20	5.01	-46.65
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004639962	1	36	-1.0	-51.67	291.26	5.03	-46.64
C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639963	0	32	-1.0	-49.11	266.16	-2.91	-52.02
C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639963	1	32	-1.0	-49.10	266.22	-2.89	-51.99
CCOC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639964	0	35	-1.0	-49.67	297.40	0.31	-49.36
CCOC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639964	1	35	-1.0	-49.69	297.35	0.28	-49.41
O=C(C1=NC=CC(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639965	0	29	-1.0	-57.66	269.46	3.32	-54.34
O=C(C1=NC=CC(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639965	1	29	-1.0	-57.70	269.41	3.30	-54.40
O=C(C1=CSC(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639966	0	26	-1.0	-49.66	255.81	1.97	-47.69
O=C(C1=CSC(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639966	1	26	-1.0	-49.67	255.75	1.95	-47.72
O=C(C1=COC(CC2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639967	0	36	-1.0	-50.47	305.61	2.37	-48.10
O=C(C1=COC(CC2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639967	1	36	-1.0	-50.42	305.67	2.40	-48.02
CN1CCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL250004639968	0	39	-1.0	-43.34	304.59	2.90	-40.44
CN1CCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL250004639968	1	39	-1.0	-43.24	304.89	2.87	-40.37
O=C(CC1CC1(Cl)Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639969	0	30	-1.0	-49.98	283.26	4.27	-45.71
O=C(CC1CC1(Cl)Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639969	1	30	-1.0	-49.97	283.32	4.30	-45.67
CC1=CC(C)=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004639970	0	35	-1.0	-54.72	291.61	3.97	-50.75
CC1=CC(C)=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004639970	1	35	-1.0	-54.68	291.66	4.00	-50.68
O=C(C1=CC2=C(C=N1)CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639971	0	39	-1.0	-54.55	311.26	5.21	-49.34
O=C(C1=CC2=C(C=N1)CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639971	1	39	-1.0	-54.56	311.32	5.24	-49.32
O=C(C1CCC(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639972	0	33	-1.0	-57.82	267.73	3.51	-54.31
O=C(C1CCC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639972	1	33	-1.0	-57.85	267.78	3.53	-54.32
COC1=COC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL250004639973	0	33	-1.0	-56.59	284.01	1.98	-54.61
COC1=COC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004639973	1	33	-1.0	-56.56	284.07	2.00	-54.56
O=C(C1=CC2=CC=NC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639974	0	34	-1.0	-51.98	286.91	2.19	-49.79
O=C(C1=CC2=CC=NC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639974	1	34	-1.0	-51.94	286.85	2.16	-49.78
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC2=C1	REAL250004639975	0	37	-1.0	-51.05	313.46	6.18	-44.87
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC2=C1	REAL250004639975	1	37	-1.0	-51.09	313.41	6.16	-44.93
CC(O)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004639976	0	33	-1.0	-51.99	290.73	-1.19	-53.18
CC(O)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004639976	1	33	-1.0	-51.95	290.79	-1.16	-53.11
CN1C=C(C(O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004639977	0	34	-1.0	-59.13	284.49	-0.06	-59.19
CN1C=C(C(O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004639977	1	34	-1.0	-59.14	284.43	-0.09	-59.23
O=C(C1=CC(C2CC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639978	0	33	-1.0	-47.04	282.55	3.37	-43.67
O=C(C1=CC(C2CC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639978	1	33	-1.0	-47.07	282.61	3.39	-43.68
O=C([C@H]1CCCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639979	0	34	-1.0	-58.69	275.48	0.37	-58.32
O=C([C@H]1CCCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639979	1	34	-1.0	-58.72	275.54	0.38	-58.34
CC1=C(C#N)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639980	0	34	-1.0	-51.73	289.15	4.48	-47.25
CC1=C(C#N)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639980	1	34	-1.0	-51.73	289.21	4.49	-47.24
CC1=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2N1	REAL250004639981	0	36	-1.0	-54.23	298.86	3.12	-51.11
CC1=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2N1	REAL250004639981	1	36	-1.0	-54.26	298.81	3.11	-51.15
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C#N	REAL250004639982	0	34	-1.0	-51.59	290.72	4.44	-47.15
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C#N	REAL250004639982	1	34	-1.0	-51.60	290.78	4.46	-47.14
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CN=C21	REAL250004639983	0	34	-1.0	-46.26	283.16	0.94	-45.32
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CN=C21	REAL250004639983	1	34	-1.0	-46.23	283.10	0.92	-45.31
CC1CC(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004639984	0	37	-1.0	-57.41	290.61	3.35	-54.06
CC1CC(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004639984	1	37	-1.0	-57.43	290.66	3.36	-54.07
O=C(COC1=CSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639985	0	31	-1.0	-55.47	278.97	3.56	-51.91
O=C(COC1=CSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639985	1	31	-1.0	-55.44	279.03	3.59	-51.85
CCC1CCCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639986	0	42	-1.0	-51.76	308.08	5.21	-46.55
CCC1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639986	1	42	-1.0	-51.76	308.14	5.23	-46.53
CC(C)N1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004639987	0	38	-1.0	-52.29	306.76	1.98	-50.31
CC(C)N1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004639987	1	38	-1.0	-52.24	306.70	1.96	-50.28
O=C([C@@H](O)CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639988	0	37	-1.0	-51.16	306.01	3.13	-48.03
O=C([C@@H](O)CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639988	1	37	-1.0	-51.17	306.06	3.15	-48.02
CNC1=NC(C)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004639989	0	36	-1.0	-51.40	302.38	3.61	-47.79
CNC1=NC(C)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004639989	1	36	-1.0	-51.39	302.44	3.63	-47.76
O=C(C1=CC=C(F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639990	0	29	-1.0	-49.66	254.96	2.84	-46.82
O=C(C1=CC=C(F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639990	1	29	-1.0	-49.66	254.91	2.81	-46.85
O=C(C=CC1=CN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639991	0	30	-1.0	-53.09	273.51	2.41	-50.68
O=C(C=CC1=CN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639991	1	30	-1.0	-53.05	273.57	2.44	-50.61
O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639992	0	30	-1.0	-51.97	262.35	3.32	-48.65
O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639992	1	30	-1.0	-51.99	262.41	3.35	-48.64
O=C(CC1=CC=C(Cl)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639993	0	30	-1.0	-50.07	286.54	4.40	-45.67
O=C(CC1=CC=C(Cl)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639993	1	30	-1.0	-50.07	286.59	4.42	-45.65
CCC(C)CCC(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639994	0	45	-1.0	-55.85	350.19	3.54	-52.31
CCC(C)CCC(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639994	1	45	-1.0	-55.84	350.25	3.57	-52.27
CCCCC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639995	0	38	-1.0	-52.70	295.59	4.21	-48.49
CCCCC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639995	1	38	-1.0	-52.69	295.65	4.24	-48.45
O=C(C1CCCC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639996	0	36	-1.0	-49.01	287.22	4.04	-44.97
O=C(C1CCCC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639996	1	36	-1.0	-48.99	287.28	4.07	-44.92
CC(CC(N)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639997	0	33	-1.0	-50.02	267.93	-1.19	-51.21
CC(CC(N)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639997	1	33	-1.0	-50.09	267.99	-1.17	-51.26
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C=O)N1	REAL250004639998	0	33	-1.0	-54.19	278.78	1.69	-52.50
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C=O)N1	REAL250004639998	1	33	-1.0	-54.18	278.84	1.71	-52.47
CC1=C(Cl)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639999	0	33	-1.0	-50.28	284.59	4.67	-45.61
CC1=C(Cl)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639999	1	33	-1.0	-50.31	284.65	4.69	-45.62
O=C(C1CCCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640001	0	37	-1.0	-54.77	286.70	2.35	-52.42
O=C(C1CCCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640001	1	37	-1.0	-54.79	286.76	2.37	-52.42
COC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640002	0	36	-1.0	-53.70	282.10	2.95	-50.75
COC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640002	1	36	-1.0	-53.71	282.15	2.97	-50.74
N#CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL250004640003	0	31	-1.0	-49.18	277.48	3.98	-45.20
N#CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL250004640003	1	31	-1.0	-49.18	277.54	4.00	-45.18
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640004	0	34	-1.0	-54.81	280.25	1.42	-53.39
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640004	1	34	-1.0	-54.82	280.30	1.45	-53.37
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC=N1	REAL250004640005	0	33	-1.0	-58.25	279.63	2.73	-55.52
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC=N1	REAL250004640005	1	33	-1.0	-58.18	279.69	2.75	-55.43
O=C(C1=NC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640006	0	26	-1.0	-50.72	239.89	1.58	-49.14
O=C(C1=NC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640006	1	26	-1.0	-50.71	239.83	1.56	-49.15
CC1=C(C)SC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640007	0	32	-1.0	-51.66	281.66	2.90	-48.76
CC1=C(C)SC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640007	1	32	-1.0	-51.67	281.72	2.91	-48.76
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C#N)O1	REAL250004640008	0	31	-1.0	-47.03	274.39	2.99	-44.04
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C#N)O1	REAL250004640008	1	31	-1.0	-47.00	274.45	3.01	-43.99
O=C(CC1CCC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640009	0	36	-1.0	-51.68	295.39	4.51	-47.17
O=C(CC1CCC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640009	1	36	-1.0	-51.71	295.45	4.53	-47.18
O=C(CCCC1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640010	0	43	-1.0	-52.30	334.08	4.03	-48.27
O=C(CCCC1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640010	1	43	-1.0	-52.29	334.13	4.06	-48.23
O=C(C1=CC=CC(C2CCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640011	0	40	-1.0	-54.81	316.48	6.13	-48.68
O=C(C1=CC=CC(C2CCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640011	1	40	-1.0	-54.85	316.54	6.15	-48.70
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640012	0	36	-1.0	-56.39	302.28	2.31	-54.08
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640012	1	36	-1.0	-56.41	302.34	2.34	-54.07
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004640013	0	37	-1.0	-60.96	308.94	2.20	-58.76
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004640013	1	37	-1.0	-60.92	308.89	2.19	-58.73
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C	REAL250004640014	0	38	-1.0	-51.06	307.70	4.65	-46.41
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C	REAL250004640014	1	38	-1.0	-51.01	307.75	4.67	-46.34
O=C(C1=CC=NN1CC(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640015	0	33	-1.0	-54.53	283.44	2.56	-51.97
O=C(C1=CC=NN1CC(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640015	1	33	-1.0	-54.52	283.38	2.55	-51.97
O=C(C1CCC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640016	0	33	-1.0	-49.60	272.77	3.54	-46.06
O=C(C1CCC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640016	1	33	-1.0	-49.62	272.83	3.57	-46.05
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640017	0	37	-1.0	-58.86	292.89	3.51	-55.35
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640017	1	37	-1.0	-58.85	292.95	3.52	-55.33
CC1=CSC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640018	0	35	-1.0	-50.84	307.22	3.18	-47.66
CC1=CSC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640018	1	35	-1.0	-50.85	307.28	3.21	-47.64
CCN1C=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640019	0	33	-1.0	-53.03	274.47	3.79	-49.24
CCN1C=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640019	1	33	-1.0	-53.03	274.41	3.76	-49.27
O=C(C1=COC(C2CCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640020	0	36	-1.0	-50.64	300.60	2.14	-48.50
O=C(C1=COC(C2CCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640020	1	36	-1.0	-50.63	300.66	2.17	-48.46
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CO1	REAL250004640021	0	33	-1.0	-52.83	272.94	3.25	-49.58
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CO1	REAL250004640021	1	33	-1.0	-52.82	272.99	3.27	-49.55
CC1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004640022	0	40	-1.0	-52.98	323.71	6.51	-46.47
CC1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004640022	1	40	-1.0	-53.00	323.77	6.53	-46.47
C#CC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640023	0	31	-1.0	-44.25	267.40	2.38	-41.87
C#CC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640023	1	31	-1.0	-44.28	267.47	2.38	-41.90
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)F	REAL250004640024	0	35	-1.0	-45.83	287.38	3.82	-42.01
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)F	REAL250004640024	1	35	-1.0	-45.87	287.43	3.85	-42.02
O=C(C1=CC=CN=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640025	0	29	-1.0	-58.61	251.93	1.75	-56.86
O=C(C1=CC=CN=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640025	1	29	-1.0	-58.62	251.87	1.74	-56.88
O=C(C1=CN=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640026	0	30	-1.0	-42.04	251.16	-1.67	-43.71
O=C(C1=CN=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640026	1	30	-1.0	-42.03	251.22	-1.67	-43.70
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004640027	0	32	-1.0	-39.64	260.81	1.92	-37.72
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004640027	1	32	-1.0	-39.71	260.88	1.93	-37.78
O=C(CCC1=NC=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640028	0	33	-1.0	-54.10	280.11	2.14	-51.96
O=C(CCC1=NC=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640028	1	33	-1.0	-54.16	280.17	2.17	-51.99
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=N1	REAL250004640029	0	35	-1.0	-56.40	288.83	3.11	-53.29
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=N1	REAL250004640029	1	35	-1.0	-56.43	288.89	3.12	-53.31
O=C(C1=NN(CC(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640030	0	33	-1.0	-57.20	291.62	3.14	-54.06
O=C(C1=NN(CC(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640030	1	33	-1.0	-57.20	291.56	3.12	-54.08
O=C(C1=C2NC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640031	0	33	-1.0	-62.39	276.27	1.81	-60.58
O=C(C1=C2NC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640031	1	33	-1.0	-62.38	276.21	1.79	-60.59
O=C(C1CCC(O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640032	0	37	-1.0	-57.98	285.10	0.73	-57.25
O=C(C1CCC(O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640032	1	37	-1.0	-57.97	285.16	0.74	-57.23
O=C(C1=CC=CC(CO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640033	0	34	-1.0	-45.14	277.91	0.39	-44.75
O=C(C1=CC=CC(CO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640033	1	34	-1.0	-45.11	277.97	0.39	-44.72
O=C(C1=CN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640034	0	26	-1.0	-52.26	237.40	0.80	-51.46
O=C(C1=CN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640034	1	26	-1.0	-52.27	237.33	0.78	-51.49
CCC1=CSC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640035	0	35	-1.0	-56.92	307.06	3.15	-53.77
CCC1=CSC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640035	1	35	-1.0	-56.96	307.11	3.16	-53.80
O=C(CC1CCCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640036	0	37	-1.0	-55.21	290.10	2.57	-52.64
O=C(CC1CCCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640036	1	37	-1.0	-55.21	290.16	2.60	-52.61
O=C(CCC1=CN=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640037	0	34	-1.0	-53.09	289.69	1.83	-51.26
O=C(CCC1=CN=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640037	1	34	-1.0	-53.10	289.74	1.85	-51.25
O=C(C1=NC2=NC=CN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640038	0	33	-1.0	-55.48	284.67	2.04	-53.44
O=C(C1=NC2=NC=CN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640038	1	33	-1.0	-55.45	284.61	2.01	-53.44
CC1=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C2O1	REAL250004640039	0	35	-1.0	-53.33	294.34	1.20	-52.13
CC1=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C2O1	REAL250004640039	1	35	-1.0	-53.37	294.40	1.23	-52.14
O=C(C1=NC2=CC=CC=C2N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640040	0	33	-1.0	-60.29	285.57	2.51	-57.78
O=C(C1=NC2=CC=CC=C2N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640040	1	33	-1.0	-60.29	285.51	2.48	-57.81
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C2O1	REAL250004640041	0	35	-1.0	-64.20	295.65	1.28	-62.92
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C2O1	REAL250004640041	1	35	-1.0	-64.14	295.59	1.26	-62.88
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1CO	REAL250004640042	0	37	-1.0	-60.13	299.66	1.62	-58.51
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1CO	REAL250004640042	1	37	-1.0	-60.13	299.72	1.65	-58.48
CN1C=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C21	REAL250004640043	0	36	-1.0	-52.59	295.96	4.85	-47.74
CN1C=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C21	REAL250004640043	1	36	-1.0	-52.62	295.90	4.83	-47.79
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004640044	0	32	-1.0	-48.65	287.45	2.28	-46.37
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004640044	1	32	-1.0	-48.65	287.39	2.25	-46.40
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1C	REAL250004640045	0	34	-1.0	-56.56	274.92	3.74	-52.82
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1C	REAL250004640045	1	34	-1.0	-56.59	274.98	3.75	-52.84
CC(C)N1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640046	0	36	-1.0	-55.58	298.52	4.99	-50.59
CC(C)N1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640046	1	36	-1.0	-55.60	298.47	4.97	-50.63
C=CC(C)(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640047	0	34	-1.0	-48.09	273.99	1.61	-46.48
C=CC(C)(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640047	1	34	-1.0	-48.05	274.04	1.64	-46.41
CC(=O)CSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640048	0	32	-1.0	-63.19	286.82	2.95	-60.24
CC(=O)CSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640048	1	32	-1.0	-63.22	286.87	2.97	-60.25
COC1=CC=CN=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640049	0	36	-1.0	-58.43	302.57	2.19	-56.24
COC1=CC=CN=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640049	1	36	-1.0	-58.43	302.63	2.21	-56.22
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SCCO1	REAL250004640050	0	33	-1.0	-51.03	272.57	2.30	-48.73
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SCCO1	REAL250004640050	1	33	-1.0	-51.06	272.63	2.32	-48.74
O=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL250004640051	0	33	-1.0	-47.88	283.13	1.00	-46.88
O=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL250004640051	1	33	-1.0	-47.86	283.19	1.03	-46.83
CC1COCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640052	0	37	-1.0	-54.38	283.78	2.09	-52.29
CC1COCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640052	1	37	-1.0	-54.40	283.84	2.12	-52.28
O=C(C1CC2CCCC(C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640053	0	43	-1.0	-53.64	310.37	5.29	-48.35
O=C(C1CC2CCCC(C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640053	1	43	-1.0	-53.60	310.42	5.32	-48.28
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NS1	REAL250004640054	0	29	-1.0	-52.34	259.89	2.53	-49.81
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NS1	REAL250004640054	1	29	-1.0	-52.33	259.95	2.55	-49.78
CCC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640055	0	35	-1.0	-51.62	288.66	3.15	-48.47
CCC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640055	1	35	-1.0	-51.59	288.61	3.12	-48.47
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640056	0	32	-1.0	-49.65	280.99	2.70	-46.95
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640056	1	32	-1.0	-49.69	281.05	2.72	-46.97
O=C(C1CC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640057	0	36	-1.0	-55.73	301.63	4.63	-51.10
O=C(C1CC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640057	1	36	-1.0	-55.76	301.69	4.65	-51.11
CC1=CC(=O)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640058	0	36	-1.0	-69.25	304.87	3.91	-65.34
CC1=CC(=O)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640058	1	36	-1.0	-69.23	304.93	3.94	-65.29
O=C(CC1=NC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640059	0	32	-1.0	-56.19	279.55	2.83	-53.36
O=C(CC1=NC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640059	1	32	-1.0	-56.20	279.60	2.86	-53.34
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640060	0	31	-1.0	-59.90	265.80	2.54	-57.36
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640060	1	31	-1.0	-59.92	265.86	2.56	-57.36
O=C(CCC1=CNC(=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640061	0	36	-1.0	-56.40	305.26	2.36	-54.04
O=C(CCC1=CNC(=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640061	1	36	-1.0	-56.41	305.32	2.39	-54.02
CC1CCC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640062	0	43	-1.0	-56.57	334.46	5.39	-51.18
CC1CCC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640062	1	43	-1.0	-56.56	334.52	5.41	-51.15
O=C(CCOCC(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640063	0	33	-1.0	-51.92	287.85	2.03	-49.89
O=C(CCOCC(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640063	1	33	-1.0	-51.94	287.90	2.06	-49.88
O=C(C(F)CC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640064	0	42	-1.0	-49.69	324.47	5.56	-44.13
O=C(C(F)CC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640064	1	42	-1.0	-49.69	324.53	5.58	-44.11
O=C(CC1=CC2=CNN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640065	0	36	-1.0	-60.24	305.51	3.38	-56.86
O=C(CC1=CC2=CNN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640065	1	36	-1.0	-60.31	305.56	3.41	-56.90
CC1C(=O)CCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640066	0	38	-1.0	-50.79	305.90	4.00	-46.79
CC1C(=O)CCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640066	1	38	-1.0	-50.85	305.96	4.02	-46.83
COC1CCCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640067	0	43	-1.0	-51.43	331.55	3.93	-47.50
COC1CCCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640067	1	43	-1.0	-51.42	331.61	3.96	-47.46
O=C(C1CC2=CC=C(F)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640068	0	34	-1.0	-49.31	287.73	5.14	-44.17
O=C(C1CC2=CC=C(F)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640068	1	34	-1.0	-49.31	287.78	5.16	-44.15
O=C(C1=CC=C2C=CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640069	0	38	-1.0	-54.63	305.90	5.93	-48.70
O=C(C1=CC=C2C=CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640069	1	38	-1.0	-54.66	305.96	5.96	-48.70
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004640070	0	34	-1.0	-54.52	277.75	3.24	-51.28
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004640070	1	34	-1.0	-54.52	277.81	3.26	-51.26
O=C(C[C@@H]1CCCC[C@H]1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640071	0	40	-1.0	-55.42	308.96	1.66	-53.76
O=C(C[C@@H]1CCCC[C@H]1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640071	1	40	-1.0	-55.41	309.02	1.69	-53.72
O=C(C[C@H]1CCCC[C@@H]1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640072	0	40	-1.0	-52.98	308.94	1.66	-51.32
O=C(C[C@H]1CCCC[C@@H]1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640072	1	40	-1.0	-53.00	309.00	1.69	-51.31
O=C(C(F)=CC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640073	0	40	-1.0	-47.16	317.46	5.51	-41.65
O=C(C(F)=CC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640073	1	40	-1.0	-47.14	317.51	5.54	-41.60
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C=O	REAL250004640074	0	38	-1.0	-58.02	311.63	4.52	-53.50
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C=O	REAL250004640074	1	38	-1.0	-57.97	311.68	4.54	-53.43
CC(C)(C)N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640075	0	38	-1.0	-50.96	312.83	2.47	-48.49
CC(C)(C)N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640075	1	38	-1.0	-50.93	312.77	2.45	-48.48
CC(C)N1CCOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640076	0	42	-1.0	-55.62	316.01	1.29	-54.33
CC(C)N1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640076	1	42	-1.0	-55.62	316.07	1.32	-54.30
CN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C#N	REAL250004640077	0	31	-1.0	-55.10	273.19	1.52	-53.58
CN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C#N	REAL250004640077	1	31	-1.0	-55.12	273.13	1.49	-53.63
CN1C=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640078	0	35	-1.0	-56.79	296.89	4.87	-51.92
CN1C=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640078	1	35	-1.0	-56.80	296.95	4.90	-51.90
COC1=CC(C)=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640079	0	36	-1.0	-59.49	297.51	3.96	-55.53
COC1=CC(C)=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640079	1	36	-1.0	-59.50	297.46	3.94	-55.56
CCC(C)C(OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640080	0	39	-1.0	-55.92	301.34	3.45	-52.47
CCC(C)C(OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640080	1	39	-1.0	-55.88	301.40	3.46	-52.42
O=C(C1=CC=C(CO)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640081	0	34	-1.0	-41.73	280.83	0.60	-41.13
O=C(C1=CC=C(CO)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640081	1	34	-1.0	-41.68	280.92	0.58	-41.10
O=C(C1=NC=C(Cl)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640082	0	26	-1.0	-46.92	256.87	2.21	-44.71
O=C(C1=NC=C(Cl)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640082	1	26	-1.0	-46.89	256.81	2.19	-44.70
CC(C)(C)OC(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640083	0	41	-1.0	-49.47	329.61	4.50	-44.97
CC(C)(C)OC(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640083	1	41	-1.0	-49.45	329.67	4.53	-44.92
O=C(C1=NC=C(F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640085	0	29	-1.0	-53.24	259.53	2.93	-50.31
O=C(C1=NC=C(F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640085	1	29	-1.0	-53.24	259.47	2.90	-50.34
O=C(C1=CC(O)=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640086	0	31	-1.0	-43.58	268.64	0.72	-42.86
O=C(C1=CC(O)=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640086	1	31	-1.0	-43.58	268.70	0.72	-42.86
COC(=CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640087	0	38	-1.0	-51.54	308.99	4.87	-46.67
COC(=CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640087	1	38	-1.0	-51.58	309.05	4.90	-46.68
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640088	0	32	-1.0	-49.51	273.75	-0.30	-49.81
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640088	1	32	-1.0	-49.48	273.69	-0.31	-49.79
O=C(C[C@H]1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640089	0	34	-1.0	-52.90	273.72	1.80	-51.10
O=C(C[C@H]1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640089	1	34	-1.0	-52.93	273.78	1.83	-51.10
O=C(C1=CN=C2CCCCN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640090	0	37	-1.0	-53.53	292.83	3.67	-49.86
O=C(C1=CN=C2CCCCN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640090	1	37	-1.0	-53.52	292.89	3.69	-49.83
O=C(C1=C(Cl)OC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640091	0	27	-1.0	-54.33	247.40	2.22	-52.11
O=C(C1=C(Cl)OC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640091	1	27	-1.0	-54.37	247.45	2.24	-52.13
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL250004640092	0	33	-1.0	-40.77	279.02	4.24	-36.53
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL250004640092	1	33	-1.0	-40.80	279.08	4.26	-36.54
O=C(C1=CC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640093	0	35	-1.0	-54.81	292.03	3.96	-50.85
O=C(C1=CC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640093	1	35	-1.0	-54.81	291.97	3.94	-50.87
O=C(C1CCCS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640095	0	36	-1.0	-57.65	294.74	-0.03	-57.68
O=C(C1CCCS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640095	1	36	-1.0	-57.71	294.79	-0.01	-57.72
CN1C=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640096	0	33	-1.0	-51.36	276.56	3.27	-48.09
CN1C=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640096	1	33	-1.0	-51.37	276.61	3.30	-48.07
CCC(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640097	0	38	-1.0	-51.75	298.01	4.41	-47.34
CCC(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640097	1	38	-1.0	-51.80	298.07	4.43	-47.37
O=C(C1=C2CCCC2=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640098	0	34	-1.0	-54.66	281.29	3.96	-50.70
O=C(C1=C2CCCC2=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640098	1	34	-1.0	-54.65	281.35	3.99	-50.66
NC(=O)CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CO1	REAL250004640099	0	34	-1.0	-61.18	289.16	-0.70	-61.88
NC(=O)CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CO1	REAL250004640099	1	34	-1.0	-61.20	289.22	-0.69	-61.89
O=C(C(O)C1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640100	0	33	-1.0	-55.11	276.08	0.57	-54.54
O=C(C(O)C1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640100	1	33	-1.0	-55.09	276.02	0.56	-54.53
CC1=NOC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640101	0	32	-1.0	-54.34	276.19	2.86	-51.48
CC1=NOC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640101	1	32	-1.0	-54.35	276.25	2.88	-51.47
O=C(C1=C2CCOCC2=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640102	0	35	-1.0	-53.97	287.83	2.07	-51.90
O=C(C1=C2CCOCC2=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640102	1	35	-1.0	-53.94	287.89	2.10	-51.84
CCC1OCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640103	0	37	-1.0	-51.40	291.42	2.36	-49.04
CCC1OCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640103	1	37	-1.0	-51.43	291.48	2.39	-49.04
CC1=CN=C(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640104	0	36	-1.0	-63.13	311.12	0.62	-62.51
CC1=CN=C(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640104	1	36	-1.0	-63.17	311.18	0.65	-62.52
COCC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640105	0	33	-1.0	-53.39	292.92	0.52	-52.87
COCC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640105	1	33	-1.0	-53.38	292.98	0.53	-52.85
COC(=O)COCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640106	0	33	-1.0	-64.97	288.34	2.53	-62.44
COC(=O)COCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640106	1	33	-1.0	-64.96	288.40	2.55	-62.41
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004640107	0	38	-1.0	-50.50	314.42	2.27	-48.23
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004640107	1	38	-1.0	-50.54	314.47	2.30	-48.24
CC(C)(C)CCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640108	0	44	-1.0	-51.88	338.98	5.70	-46.18
CC(C)(C)CCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640108	1	44	-1.0	-51.91	339.04	5.73	-46.18
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640109	0	37	-1.0	-55.03	295.72	-4.72	-59.75
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640109	1	37	-1.0	-55.04	295.77	-4.70	-59.74
CN1C=NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C21	REAL250004640110	0	35	-1.0	-56.47	296.82	5.04	-51.43
CN1C=NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C21	REAL250004640110	1	35	-1.0	-56.48	296.77	5.01	-51.47
O=C(C1=NN2C=CC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640111	0	32	-1.0	-60.97	277.78	3.00	-57.97
O=C(C1=NN2C=CC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640111	1	32	-1.0	-60.92	277.72	2.97	-57.95
O=C(C1CCC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640112	0	36	-1.0	-51.97	290.25	4.20	-47.77
O=C(C1CCC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640112	1	36	-1.0	-51.99	290.31	4.22	-47.77
CC(C)(C)OCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640113	0	42	-1.0	-54.81	330.59	3.62	-51.19
CC(C)(C)OCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640113	1	42	-1.0	-54.85	330.64	3.65	-51.20
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640114	0	30	-1.0	-53.18	262.83	3.33	-49.85
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640114	1	30	-1.0	-53.20	262.89	3.35	-49.85
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640115	0	29	-1.0	-47.56	262.11	2.16	-45.40
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640115	1	29	-1.0	-47.58	262.17	2.18	-45.40
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C(C)C)O1	REAL250004640116	0	39	-1.0	-51.49	315.58	4.71	-46.78
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C(C)C)O1	REAL250004640116	1	39	-1.0	-51.52	315.64	4.74	-46.78
CC1=CSC(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640117	0	35	-1.0	-51.89	298.93	2.66	-49.23
CC1=CSC(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640117	1	35	-1.0	-51.89	298.99	2.68	-49.21
CC1=COC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004640118	0	33	-1.0	-52.55	274.05	3.36	-49.19
CC1=COC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004640118	1	33	-1.0	-52.55	274.10	3.37	-49.18
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1	REAL250004640119	0	34	-1.0	-56.31	275.84	2.85	-53.46
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1	REAL250004640119	1	34	-1.0	-56.32	275.90	2.87	-53.45
CC(C)C1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1	REAL250004640120	0	37	-1.0	-57.30	299.46	3.44	-53.86
CC(C)C1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1	REAL250004640120	1	37	-1.0	-57.35	299.52	3.45	-53.90
CC1=NC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640121	0	35	-1.0	-56.11	291.46	3.40	-52.71
CC1=NC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640121	1	35	-1.0	-56.12	291.52	3.42	-52.70
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640122	0	37	-1.0	-53.04	306.23	5.98	-47.06
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640122	1	37	-1.0	-53.03	306.29	6.00	-47.03
O=C(C1=C(Cl)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640123	0	27	-1.0	-53.40	256.01	3.10	-50.30
O=C(C1=C(Cl)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640123	1	27	-1.0	-53.42	256.07	3.12	-50.30
O=C(CC1=COC2=CC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640124	0	36	-1.0	-57.37	307.19	5.03	-52.34
O=C(CC1=COC2=CC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640124	1	36	-1.0	-57.34	307.24	5.05	-52.29
CN1N=CC=C1COCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640125	0	37	-1.0	-61.13	314.64	2.76	-58.37
CN1N=CC=C1COCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640125	1	37	-1.0	-61.15	314.70	2.78	-58.37
O=C(C1=CN2C=NC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640126	0	33	-1.0	-50.83	286.20	5.24	-45.59
O=C(C1=CN2C=NC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640126	1	33	-1.0	-50.84	286.25	5.26	-45.58
O=C(C1COC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640127	0	29	-1.0	-57.51	250.39	-1.81	-59.32
O=C(C1COC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640127	1	29	-1.0	-57.52	250.45	-1.78	-59.30
CC1=COC(C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640128	0	33	-1.0	-52.69	283.86	3.41	-49.28
CC1=COC(C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640128	1	33	-1.0	-52.74	283.92	3.43	-49.31
COCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=N1	REAL250004640129	0	33	-1.0	-55.49	287.42	0.31	-55.18
COCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=N1	REAL250004640129	1	33	-1.0	-55.50	287.47	0.33	-55.17
O=C(C1=CC=NC2=NNN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640130	0	31	-1.0	-59.01	267.90	0.22	-58.79
O=C(C1=CC=NC2=NNN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640130	1	31	-1.0	-59.01	267.84	0.20	-58.81
CC(C)C1=NN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640131	0	34	-1.0	-48.79	299.11	2.30	-46.49
CC(C)C1=NN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640131	1	34	-1.0	-48.81	299.17	2.32	-46.49
O=C(CCCC1=NC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640132	0	35	-1.0	-56.98	306.92	3.37	-53.61
O=C(CCCC1=NC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640132	1	35	-1.0	-56.96	306.98	3.40	-53.56
CC1=NC=CN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640133	0	33	-1.0	-56.83	280.82	3.51	-53.32
CC1=NC=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640133	1	33	-1.0	-56.83	280.88	3.53	-53.30
COCC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640134	0	37	-1.0	-59.65	306.79	1.01	-58.64
COCC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640134	1	37	-1.0	-59.69	306.85	1.02	-58.67
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL250004640135	0	30	-1.0	-52.48	273.34	2.35	-50.13
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL250004640135	1	30	-1.0	-52.48	273.29	2.32	-50.16
CC1(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL250004640136	0	41	-1.0	-53.78	315.94	3.31	-50.47
CC1(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL250004640136	1	41	-1.0	-53.80	316.00	3.34	-50.46
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN=C1F	REAL250004640137	0	32	-1.0	-40.29	272.88	1.97	-38.32
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN=C1F	REAL250004640137	1	32	-1.0	-41.34	266.13	1.70	-39.64
N#CC1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640138	0	31	-1.0	-42.09	269.90	3.55	-38.54
N#CC1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640138	1	31	-1.0	-42.08	269.95	3.55	-38.53
CN1C=C(C=O)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640140	0	33	-1.0	-57.09	279.49	2.82	-54.27
CN1C=C(C=O)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640140	1	33	-1.0	-57.08	279.55	2.84	-54.24
CN1C(C=O)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640141	0	33	-1.0	-52.02	276.70	2.58	-49.44
CN1C(C=O)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640141	1	33	-1.0	-52.04	276.76	2.59	-49.45
O=C(CCC1=NNN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640142	0	32	-1.0	-51.74	274.51	0.53	-51.21
O=C(CCC1=NNN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640142	1	32	-1.0	-51.72	274.57	0.55	-51.17
CCC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640143	0	38	-1.0	-56.25	315.64	4.45	-51.80
CCC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640143	1	38	-1.0	-56.27	315.69	4.48	-51.79
O=C(CCC1(O)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640144	0	37	-1.0	-52.14	296.69	1.34	-50.80
O=C(CCC1(O)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640144	1	37	-1.0	-52.17	296.75	1.36	-50.81
CC1CC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2O1	REAL250004640145	0	38	-1.0	-61.53	308.45	4.30	-57.23
CC1CC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2O1	REAL250004640145	1	38	-1.0	-61.53	308.51	4.33	-57.20
O=C(C1=CN(CC2CC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640146	0	36	-1.0	-51.07	305.61	2.95	-48.12
O=C(C1=CN(CC2CC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640146	1	36	-1.0	-51.05	305.56	2.93	-48.12
O=C(C1=CC2=CC=NC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640147	0	35	-1.0	-54.06	292.74	4.06	-50.00
O=C(C1=CC2=CC=NC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640147	1	35	-1.0	-54.03	292.69	4.03	-50.00
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=C1CCC2	REAL250004640148	0	40	-1.0	-55.28	315.12	6.04	-49.24
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=C1CCC2	REAL250004640148	1	40	-1.0	-55.21	315.18	6.07	-49.14
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CS1	REAL250004640149	0	30	-1.0	-51.74	260.22	3.32	-48.42
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CS1	REAL250004640149	1	30	-1.0	-51.70	260.28	3.34	-48.36
O=C(CC1(O)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640150	0	34	-1.0	-51.28	274.04	1.79	-49.49
O=C(CC1(O)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640150	1	34	-1.0	-51.27	274.10	1.81	-49.46
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C(C)C	REAL250004640151	0	39	-1.0	-57.19	318.79	4.00	-53.19
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C(C)C	REAL250004640151	1	39	-1.0	-57.15	318.85	4.02	-53.13
CN1N=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640152	0	35	-1.0	-53.35	297.58	1.63	-51.72
CN1N=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640152	1	35	-1.0	-53.27	297.64	1.65	-51.62
CCC(CC(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640153	0	35	-1.0	-49.12	292.97	3.84	-45.28
CCC(CC(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640153	1	35	-1.0	-49.16	293.02	3.85	-45.31
O=C(CC1CCC2CC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640154	0	37	-1.0	-52.36	292.94	5.04	-47.32
O=C(CC1CCC2CC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640154	1	37	-1.0	-52.38	293.00	5.07	-47.31
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640155	0	31	-1.0	-60.39	280.45	1.43	-58.96
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640155	1	31	-1.0	-60.41	280.51	1.46	-58.95
CC1=CC=C(F)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640156	0	36	-1.0	-52.80	306.09	5.37	-47.43
CC1=CC=C(F)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640156	1	36	-1.0	-52.76	306.15	5.40	-47.36
CC1=CN=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640157	0	38	-1.0	-51.26	316.92	4.33	-46.93
CC1=CN=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640157	1	38	-1.0	-51.27	316.98	4.36	-46.91
O=C(CCC1=CN=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640158	0	34	-1.0	-50.90	290.34	3.51	-47.39
O=C(CCC1=CN=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640158	1	34	-1.0	-50.91	290.28	3.48	-47.43
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004640159	0	38	-1.0	-49.93	312.97	1.46	-48.47
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004640159	1	38	-1.0	-49.96	313.03	1.49	-48.47
CC(C)CC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640160	0	47	-1.0	-52.42	339.53	5.60	-46.82
CC(C)CC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640160	1	47	-1.0	-52.38	339.59	5.63	-46.75
O=C(CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004640161	0	38	-1.0	-62.25	316.54	4.75	-57.50
O=C(CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004640161	1	38	-1.0	-62.26	316.60	4.77	-57.49
O=C(C1CC12CCSCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640162	0	38	-1.0	-54.75	309.45	5.15	-49.60
O=C(C1CC12CCSCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640162	1	38	-1.0	-54.77	309.51	5.18	-49.59
CC1=NC2=CC=NN2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640163	0	35	-1.0	-49.51	301.31	3.30	-46.21
CC1=NC2=CC=NN2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640163	1	35	-1.0	-49.45	301.37	3.32	-46.13
CCCCCC(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640164	0	39	-1.0	-50.92	311.56	2.53	-48.39
CCCCCC(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640164	1	39	-1.0	-50.92	311.62	2.54	-48.38
O=C(C1=CNC2=NC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640165	0	33	-1.0	-43.18	270.17	2.40	-40.78
O=C(C1=CNC2=NC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640165	1	33	-1.0	-43.24	270.11	2.40	-40.84
O=C(C1=CN=C2NC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640165	1	33	-1.0	-47.83	271.07	2.15	-45.68
O=C(C1=CN=C2NC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640165	1	33	-1.0	-47.83	271.01	2.15	-45.68
O=C(CSC(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640166	0	27	-1.0	-51.30	255.43	2.53	-48.77
O=C(CSC(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640166	1	27	-1.0	-51.33	255.49	2.56	-48.77
CC(=O)C1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640167	0	34	-1.0	-58.90	300.16	1.14	-57.76
CC(=O)C1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640167	1	34	-1.0	-58.89	300.22	1.16	-57.73
O=C(C#CC1=CC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640168	0	29	-1.0	-52.62	276.56	4.41	-48.21
O=C(C#CC1=CC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640168	1	29	-1.0	-52.55	276.62	4.43	-48.12
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640169	0	39	-1.0	-53.00	312.39	5.17	-47.83
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640169	1	39	-1.0	-52.99	312.44	5.20	-47.79
O=C(C1=CC2=C(CCCC2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640170	0	38	-1.0	-55.44	300.40	4.34	-51.10
O=C(C1=CC2=C(CCCC2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640170	1	38	-1.0	-55.47	300.46	4.35	-51.12
O=C(CCC1CCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640171	0	37	-1.0	-59.14	303.18	1.13	-58.01
O=C(CCC1CCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640171	1	37	-1.0	-59.19	303.24	1.15	-58.04
O=C(CC1=CC=C(O)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640172	0	34	-1.0	-56.89	296.51	1.89	-55.00
O=C(CC1=CC=C(O)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640172	1	34	-1.0	-56.88	296.57	1.92	-54.96
O=C(C1CCCCC1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640173	0	36	-1.0	-60.33	284.89	4.03	-56.30
O=C(C1CCCCC1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640173	1	36	-1.0	-60.31	284.95	4.06	-56.25
CC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1C	REAL250004640174	0	42	-1.0	-53.26	311.61	4.94	-48.32
CC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1C	REAL250004640174	1	42	-1.0	-53.27	311.68	4.96	-48.31
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640175	0	35	-1.0	-52.07	286.36	2.17	-49.90
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640175	1	35	-1.0	-52.08	286.42	2.19	-49.89
COC1COCCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640176	0	41	-1.0	-52.46	321.81	1.63	-50.83
COC1COCCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640176	1	41	-1.0	-52.44	321.87	1.65	-50.79
CC(C)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640177	0	38	-1.0	-51.91	301.30	4.52	-47.39
CC(C)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640177	1	38	-1.0	-51.92	301.35	4.55	-47.37
CCCC1CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640178	0	42	-1.0	-53.25	319.20	5.66	-47.59
CCCC1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640178	1	42	-1.0	-53.27	319.26	5.68	-47.59
CN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL250004640179	0	30	-1.0	-51.64	271.26	1.72	-49.92
CN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL250004640179	1	30	-1.0	-51.64	271.20	1.71	-49.93
CCOC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640180	0	33	-1.0	-46.15	285.29	0.27	-45.88
CCOC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640180	1	33	-1.0	-46.16	285.23	0.24	-45.92
CC(C)(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)[N+](=O)[O-]	REAL250004640181	0	37	-1.0	-58.87	302.61	3.73	-55.14
CC(C)(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)[N+](=O)[O-]	REAL250004640181	1	37	-1.0	-58.86	302.67	3.75	-55.11
CC1=CN=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640182	0	32	-1.0	-50.33	264.79	2.46	-47.87
CC1=CN=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640182	1	32	-1.0	-50.32	264.74	2.44	-47.88
CC(C)(C)C(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640183	0	43	-1.0	-62.05	342.79	4.98	-57.07
CC(C)(C)C(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640183	1	43	-1.0	-62.09	342.84	5.01	-57.08
O=C(C1=C2CCCCC2=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640184	0	36	-1.0	-48.54	291.83	3.66	-44.88
O=C(C1=C2CCCCC2=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640184	1	36	-1.0	-48.54	291.89	3.68	-44.86
O=C(CC1CC(=O)NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640185	0	33	-1.0	-65.74	279.02	0.84	-64.90
O=C(CC1CC(=O)NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640185	1	33	-1.0	-65.77	279.08	0.86	-64.91
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640186	0	32	-1.0	-54.72	274.26	-1.35	-56.07
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640186	1	32	-1.0	-54.73	274.32	-1.34	-56.07
O=C(C1=C2C=CNC2=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640187	0	33	-1.0	-60.22	277.76	2.78	-57.44
O=C(C1=C2C=CNC2=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640187	1	33	-1.0	-60.27	277.70	2.75	-57.52
N#CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640188	0	28	-1.0	-54.01	261.81	3.08	-50.93
N#CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640188	1	28	-1.0	-54.06	261.87	3.10	-50.96
O=C(C1=CC=CC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640189	0	40	-1.0	-54.07	311.96	6.06	-48.01
O=C(C1=CC=CC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640189	1	40	-1.0	-54.09	312.02	6.07	-48.02
O=C(C1=NSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640190	0	26	-1.0	-52.28	238.01	1.74	-50.54
O=C(C1=NSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640190	1	26	-1.0	-52.27	237.95	1.72	-50.55
CCC1CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640191	0	39	-1.0	-53.95	294.60	4.93	-49.02
CCC1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640191	1	39	-1.0	-53.96	294.65	4.94	-49.02
O=C(C=CC1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640192	0	35	-1.0	-52.61	288.01	2.32	-50.29
O=C(C=CC1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640192	1	35	-1.0	-52.66	288.06	2.35	-50.31
O=C(C1=NN2CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640193	0	34	-1.0	-58.56	281.11	2.81	-55.75
O=C(C1=NN2CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640193	1	34	-1.0	-58.56	281.16	2.83	-55.73
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C#N)N1	REAL250004640194	0	32	-1.0	-51.58	279.30	2.39	-49.19
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C#N)N1	REAL250004640194	1	32	-1.0	-51.59	279.35	2.40	-49.19
O=C(C1=C2CCCN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640195	0	34	-1.0	-55.49	278.48	2.16	-53.33
O=C(C1=C2CCCN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640195	1	34	-1.0	-55.48	278.54	2.19	-53.29
O=C(C=CC1=CNN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640196	0	31	-1.0	-55.30	268.96	1.70	-53.60
O=C(C=CC1=CNN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640196	1	31	-1.0	-55.33	268.90	1.68	-53.65
O=C(C1=CC(=O)NN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640197	0	29	-1.0	-50.79	258.87	-0.63	-51.42
O=C(C1=CC(=O)NN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640197	1	29	-1.0	-50.80	258.93	-0.62	-51.42
CC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640198	0	31	-1.0	-62.82	260.47	2.20	-60.62
CC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640198	1	31	-1.0	-62.85	260.53	2.23	-60.62
O=C([C@@H]1CNC(=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640199	0	29	-1.0	-62.36	249.93	-1.39	-63.75
O=C([C@@H]1CNC(=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640199	1	29	-1.0	-62.36	249.97	-1.35	-63.71
C[Si](C)(C)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640200	0	41	-1.0	-53.66	334.18	7.08	-46.58
C[Si](C)(C)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640200	1	41	-1.0	-53.64	334.24	7.10	-46.54
CN1C=C(C=C(C#N)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640201	0	35	-1.0	-48.58	301.30	2.73	-45.85
CN1C=C(C=C(C#N)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640201	1	35	-1.0	-48.61	301.35	2.76	-45.85
O=C(C1CCC2=NC=CN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640202	0	37	-1.0	-52.09	299.59	3.98	-48.11
O=C(C1CCC2=NC=CN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640202	1	37	-1.0	-52.10	299.64	3.99	-48.11
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640203	0	37	-1.0	-53.33	309.40	5.17	-48.16
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640203	1	37	-1.0	-53.31	309.46	5.20	-48.11
CC1=NN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640204	0	28	-1.0	-49.62	256.82	0.95	-48.67
CC1=NN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640204	1	28	-1.0	-49.62	256.87	0.98	-48.64
O=C(CSC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640205	0	31	-1.0	-53.68	274.33	3.85	-49.83
O=C(CSC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640205	1	31	-1.0	-53.68	274.39	3.88	-49.80
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C	REAL250004640206	0	36	-1.0	-54.73	300.38	2.90	-51.83
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C	REAL250004640206	1	36	-1.0	-54.71	300.44	2.92	-51.79
O=C(C1=C2OCCCN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640207	0	35	-1.0	-60.29	285.99	0.75	-59.54
O=C(C1=C2OCCCN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640207	1	35	-1.0	-60.26	285.93	0.73	-59.53
CC1=CC(C#N)=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640208	0	33	-1.0	-49.49	285.61	3.81	-45.68
CC1=CC(C#N)=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640208	1	33	-1.0	-49.50	285.56	3.79	-45.71
CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640209	0	33	-1.0	-58.71	281.41	2.65	-56.06
CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640209	1	33	-1.0	-58.68	281.47	2.67	-56.01
COC1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640210	0	40	-1.0	-51.40	306.47	3.06	-48.34
COC1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640210	1	40	-1.0	-51.39	306.53	3.08	-48.31
CNC(=O)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640211	0	35	-1.0	-62.78	294.88	-1.34	-64.12
CNC(=O)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640211	1	35	-1.0	-62.76	294.93	-1.32	-64.08
CCN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640212	0	32	-1.0	-51.07	274.13	1.19	-49.88
CCN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640212	1	32	-1.0	-51.02	274.08	1.17	-49.85
CCOC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640213	0	34	-1.0	-49.39	287.01	-0.77	-50.16
CCOC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640213	1	34	-1.0	-49.35	287.07	-0.75	-50.10
O=C(C1CCC2=CN=CN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640214	0	37	-1.0	-52.22	299.48	4.70	-47.52
O=C(C1CCC2=CN=CN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640214	1	37	-1.0	-52.22	299.54	4.72	-47.50
O=C(C1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640215	0	37	-1.0	-53.04	299.91	5.62	-47.42
O=C(C1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640215	1	37	-1.0	-53.02	299.96	5.63	-47.39
O=C(C1=NC=CN2C=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640216	0	32	-1.0	-66.68	275.22	3.46	-63.22
O=C(C1=NC=CN2C=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640216	1	32	-1.0	-66.70	275.17	3.43	-63.27
CC(C)(C)N1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640217	0	38	-1.0	-60.51	311.98	4.70	-55.81
CC(C)(C)N1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640217	1	38	-1.0	-60.47	311.92	4.68	-55.79
CCCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004640218	0	35	-1.0	-50.55	295.33	3.85	-46.70
CCCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004640218	1	35	-1.0	-50.55	295.39	3.87	-46.68
NC1=NC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640219	0	31	-1.0	-46.89	276.50	1.30	-45.59
NC1=NC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640219	1	31	-1.0	-46.89	276.44	1.29	-45.60
CCC1=CC=C(C#CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640220	0	38	-1.0	-52.66	329.71	6.78	-45.88
CCC1=CC=C(C#CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640220	1	38	-1.0	-52.65	329.77	6.81	-45.84
O=C(CCC1=NOC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640221	0	32	-1.0	-54.29	275.69	2.75	-51.54
O=C(CCC1=NOC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640221	1	32	-1.0	-54.30	275.74	2.78	-51.52
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)(F)F	REAL250004640222	0	32	-1.0	-60.74	267.05	2.94	-57.80
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)(F)F	REAL250004640222	1	32	-1.0	-60.74	267.11	2.96	-57.78
CCN1N=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640223	0	32	-1.0	-47.77	266.71	0.86	-46.91
CCN1N=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640223	1	32	-1.0	-47.74	266.65	0.85	-46.89
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640224	0	33	-1.0	-53.94	271.50	2.13	-51.81
CC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640224	1	33	-1.0	-53.97	271.55	2.14	-51.83
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL250004640225	0	36	-1.0	-58.24	299.14	4.89	-53.35
CN1C=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL250004640225	1	36	-1.0	-58.25	299.09	4.87	-53.38
CCN1N=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640226	0	35	-1.0	-51.21	292.67	1.75	-49.46
CCN1N=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640226	1	35	-1.0	-51.23	292.73	1.77	-49.46
O=CC1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640227	0	30	-1.0	-65.70	261.11	1.68	-64.02
O=CC1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640227	1	30	-1.0	-65.68	261.17	1.69	-63.99
O=C(CC1=CN=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640228	0	33	-1.0	-55.97	285.14	0.02	-55.95
O=C(CC1=CN=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640228	1	33	-1.0	-55.99	285.20	0.05	-55.94
CN1C=NN(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004640229	0	36	-1.0	-59.33	308.95	3.63	-55.70
CN1C=NN(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004640229	1	36	-1.0	-59.35	309.00	3.65	-55.70
CC1=NC=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640230	0	37	-1.0	-52.85	311.64	3.46	-49.39
CC1=NC=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640230	1	37	-1.0	-52.84	311.69	3.49	-49.35
O=C(CCN1C=NC=CC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640231	0	35	-1.0	-53.16	299.49	3.49	-49.67
O=C(CCN1C=NC=CC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640231	1	35	-1.0	-53.13	299.44	3.46	-49.67
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640232	0	32	-1.0	-61.54	283.15	3.10	-58.44
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640232	1	32	-1.0	-61.58	283.21	3.12	-58.46
COC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640233	0	32	-1.0	-57.70	273.89	1.25	-56.45
COC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640233	1	32	-1.0	-57.72	273.83	1.23	-56.49
O=C(C1CC2CCC1CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640234	0	40	-1.0	-52.84	292.99	4.89	-47.95
O=C(C1CC2CCC1CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640234	1	40	-1.0	-52.84	293.04	4.92	-47.92
COCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640235	0	34	-1.0	-54.79	289.63	0.66	-54.13
COCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640235	1	34	-1.0	-54.80	289.58	0.63	-54.17
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1C(C)C	REAL250004640236	0	40	-1.0	-55.76	315.82	5.17	-50.59
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1C(C)C	REAL250004640236	1	40	-1.0	-55.77	315.88	5.18	-50.59
CC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640237	0	30	-1.0	-52.63	263.87	3.27	-49.36
CC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640237	1	30	-1.0	-52.61	263.93	3.28	-49.33
O=C(CC1=CNC2=CN=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640238	0	36	-1.0	-59.62	305.87	2.97	-56.65
O=C(CC1=CNC2=CN=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640238	1	36	-1.0	-59.60	305.92	2.99	-56.61
CCCC(OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640239	0	36	-1.0	-55.08	289.91	3.13	-51.95
CCCC(OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640239	1	36	-1.0	-55.06	289.97	3.15	-51.91
O=C(C1=NC=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640240	0	29	-1.0	-55.49	261.10	3.27	-52.22
O=C(C1=NC=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640240	1	29	-1.0	-55.49	261.04	3.24	-52.25
O=C(C1=NN2CCCNC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640241	0	35	-1.0	-60.45	289.49	3.40	-57.05
O=C(C1=NN2CCCNC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640241	1	35	-1.0	-60.48	289.43	3.38	-57.10
O=C(C1=C(C2CC2)OC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640242	0	33	-1.0	-53.25	280.38	1.75	-51.50
O=C(C1=C(C2CC2)OC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640242	1	33	-1.0	-53.26	280.32	1.72	-51.54
O=C(C1=C(F)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640243	0	27	-1.0	-57.55	247.38	2.65	-54.90
O=C(C1=C(F)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640243	1	27	-1.0	-57.53	247.44	2.67	-54.86
COCC(C)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640244	0	39	-1.0	-54.10	301.38	2.33	-51.77
COCC(C)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640244	1	39	-1.0	-54.14	301.42	2.35	-51.79
O=C(C1CCC2=CC=CC(O)=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640245	0	38	-1.0	-59.09	309.88	2.77	-56.32
O=C(C1CCC2=CC=CC(O)=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640245	1	38	-1.0	-59.08	309.94	2.79	-56.29
CN1C=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640246	0	36	-1.0	-55.87	303.54	3.16	-52.71
CN1C=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640246	1	36	-1.0	-55.84	303.59	3.18	-52.66
COC1CCCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640247	0	40	-1.0	-56.46	300.61	3.72	-52.74
COC1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640247	1	40	-1.0	-56.40	300.67	3.74	-52.66
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004640248	0	32	-1.0	-51.22	270.59	0.89	-50.33
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004640248	1	32	-1.0	-51.26	270.65	0.90	-50.36
O=C(C1=CC(F)=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640249	0	30	-1.0	-40.46	264.04	3.64	-36.82
O=C(C1=CC(F)=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640249	1	30	-1.0	-40.45	264.11	3.64	-36.81
CC(C)N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640250	0	35	-1.0	-50.62	293.02	1.91	-48.71
CC(C)N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640250	1	35	-1.0	-50.62	292.97	1.88	-48.74
O=C(CCC1=NC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640251	0	34	-1.0	-55.60	290.64	2.67	-52.93
O=C(CCC1=NC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640251	1	34	-1.0	-55.59	290.69	2.69	-52.90
O=C(C1=CC2=CN=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640252	0	32	-1.0	-50.11	277.72	2.71	-47.40
O=C(C1=CC2=CN=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640252	1	32	-1.0	-50.08	277.67	2.70	-47.38
O=C(CCC1=CN=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640253	0	32	-1.0	-50.88	285.47	2.73	-48.15
O=C(CCC1=CN=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640253	1	32	-1.0	-50.91	285.41	2.70	-48.21
CC1=NC(C2CC2)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640254	0	39	-1.0	-50.41	315.48	4.49	-45.92
CC1=NC(C2CC2)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640254	1	39	-1.0	-50.46	315.53	4.50	-45.96
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004640255	0	39	-1.0	-50.27	296.14	4.83	-45.44
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004640255	1	39	-1.0	-50.29	296.20	4.86	-45.43
O=C(C1CCCC2=C1NN=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640256	0	36	-1.0	-54.08	292.79	1.28	-52.80
O=C(C1CCCC2=C1NN=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640256	1	36	-1.0	-54.07	292.84	1.30	-52.77
CCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640257	0	35	-1.0	-50.56	292.14	0.86	-49.70
CCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640257	1	35	-1.0	-50.54	292.20	0.89	-49.65
O=C(C1=NOC(CO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640258	0	30	-1.0	-53.82	263.75	-1.06	-54.88
O=C(C1=NOC(CO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640258	1	30	-1.0	-53.82	263.81	-1.03	-54.85
O=C(CC1=CC=NC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640259	0	32	-1.0	-52.62	280.57	2.84	-49.78
O=C(CC1=CC=NC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640259	1	32	-1.0	-52.66	280.63	2.87	-49.79
CC1=CC=C(O)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640260	0	34	-1.0	-53.67	281.74	1.38	-52.29
CC1=CC=C(O)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640260	1	34	-1.0	-53.65	281.80	1.40	-52.25
COCC1=NOC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640261	0	33	-1.0	-54.99	281.18	0.82	-54.17
COCC1=NOC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640261	1	33	-1.0	-54.99	281.24	0.84	-54.15
COC(=O)CC(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640262	0	38	-1.0	-59.66	308.89	3.72	-55.94
COC(=O)CC(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640262	1	38	-1.0	-59.66	308.95	3.73	-55.93
O=C(C1=C(C2CC2)N=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640263	0	33	-1.0	-52.54	280.23	1.00	-51.54
O=C(C1=C(C2CC2)N=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640263	1	33	-1.0	-52.54	280.29	1.02	-51.52
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(F)CCCCC1	REAL250004640264	0	36	-1.0	-48.09	278.68	3.86	-44.23
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(F)CCCCC1	REAL250004640264	1	36	-1.0	-48.08	278.73	3.88	-44.20
N#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640265	0	30	-1.0	-51.80	269.52	3.05	-48.75
N#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640265	1	30	-1.0	-51.82	269.46	3.02	-48.80
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640266	0	36	-1.0	-51.66	312.76	5.36	-46.30
CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640266	1	36	-1.0	-51.67	312.81	5.39	-46.28
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640267	0	33	-1.0	-53.35	281.64	2.29	-51.06
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640267	1	33	-1.0	-53.36	281.69	2.30	-51.06
O=C(CC1CCCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640268	0	37	-1.0	-62.32	296.91	1.35	-60.97
O=C(CC1CCCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640268	1	37	-1.0	-62.33	296.97	1.37	-60.96
O=C(C1CCCSC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640269	0	34	-1.0	-49.88	281.18	3.80	-46.08
O=C(C1CCCSC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640269	1	34	-1.0	-49.90	281.24	3.82	-46.08
O=C(C1=NN2CCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640270	0	32	-1.0	-56.05	272.04	-0.06	-56.11
O=C(C1=NN2CCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640270	1	32	-1.0	-56.02	271.98	-0.09	-56.11
C#CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640271	0	35	-1.0	-55.12	304.39	5.74	-49.38
C#CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640271	1	35	-1.0	-55.10	304.45	5.77	-49.33
O=C(C1=CC2=NON=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640272	0	31	-1.0	-47.37	267.18	2.39	-44.98
O=C(C1=CC2=NON=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640272	1	31	-1.0	-47.39	267.12	2.38	-45.01
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640273	0	32	-1.0	-65.01	272.58	-2.70	-67.71
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640273	1	32	-1.0	-64.99	272.63	-2.67	-67.66
O=C(C=CCN1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640274	0	40	-1.0	-53.11	321.48	0.79	-52.32
O=C(C=CCN1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640274	1	40	-1.0	-53.11	321.54	0.82	-52.29
O=C(C1CCC2=NN=CN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640275	0	36	-1.0	-52.91	289.44	4.50	-48.41
O=C(C1CCC2=NN=CN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640275	1	36	-1.0	-52.94	289.50	4.52	-48.42
O=C(C1CCCCCC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640276	0	41	-1.0	-55.96	303.06	3.94	-52.02
O=C(C1CCCCCC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640276	1	41	-1.0	-55.95	303.12	3.95	-52.00
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640277	0	38	-1.0	-52.84	308.95	4.63	-48.21
CC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640277	1	38	-1.0	-52.81	308.89	4.60	-48.21
C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640278	0	37	-1.0	-55.19	310.22	3.21	-51.98
C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640278	1	37	-1.0	-55.18	310.27	3.24	-51.94
O=C(CC1=CN=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640279	0	32	-1.0	-53.30	288.68	3.34	-49.96
O=C(CC1=CN=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640279	1	32	-1.0	-53.30	288.62	3.31	-49.99
CCOC(=O)C(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640280	0	41	-1.0	-47.36	327.96	4.51	-42.85
CCOC(=O)C(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640280	1	41	-1.0	-47.39	328.02	4.53	-42.86
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640281	0	34	-1.0	-58.53	286.64	0.47	-58.06
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640281	1	34	-1.0	-58.54	286.58	0.46	-58.08
CC1=NSC(C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640282	0	32	-1.0	-48.34	285.11	2.77	-45.57
CC1=NSC(C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640282	1	32	-1.0	-48.36	285.17	2.79	-45.57
O=C(C1=CN(CCF)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640283	0	33	-1.0	-52.34	282.42	2.36	-49.98
O=C(C1=CN(CCF)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640283	1	33	-1.0	-52.32	282.36	2.34	-49.98
CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1O	REAL250004640284	0	37	-1.0	-54.82	303.25	2.20	-52.62
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1O	REAL250004640284	1	37	-1.0	-54.84	303.31	2.22	-52.62
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640285	0	34	-1.0	-50.79	293.87	2.46	-48.33
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640285	1	34	-1.0	-50.84	293.93	2.48	-48.36
CN1C=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CN=C21	REAL250004640286	0	35	-1.0	-64.12	295.49	4.10	-60.02
CN1C=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CN=C21	REAL250004640286	1	35	-1.0	-64.11	295.43	4.08	-60.03
CCCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640287	0	38	-1.0	-50.03	313.64	1.63	-48.40
CCCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640287	1	38	-1.0	-50.07	313.69	1.66	-48.41
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(F)CCOC1	REAL250004640289	0	31	-1.0	-49.95	255.66	0.87	-49.08
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(F)CCOC1	REAL250004640289	1	31	-1.0	-49.95	255.72	0.90	-49.05
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(CCF)CC1	REAL250004640290	0	33	-1.0	-52.79	275.22	3.60	-49.19
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(CCF)CC1	REAL250004640290	1	33	-1.0	-52.78	275.27	3.61	-49.17
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1C	REAL250004640291	0	37	-1.0	-57.43	299.38	4.50	-52.93
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1C	REAL250004640291	1	37	-1.0	-57.44	299.44	4.51	-52.93
O=C(CN1C=C(Cl)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640292	0	30	-1.0	-55.98	276.57	2.59	-53.39
O=C(CN1C=C(Cl)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640292	1	30	-1.0	-55.95	276.52	2.56	-53.39
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640293	0	31	-1.0	-61.46	271.37	-2.40	-63.86
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640293	1	31	-1.0	-61.50	271.43	-2.38	-63.88
CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCC1	REAL250004640294	0	39	-1.0	-51.13	296.95	4.77	-46.36
CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCC1	REAL250004640294	1	39	-1.0	-51.15	297.00	4.79	-46.36
O=C(COCC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640295	0	36	-1.0	-58.19	308.63	3.32	-54.87
O=C(COCC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640295	1	36	-1.0	-58.21	308.68	3.35	-54.86
N#CCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640296	0	36	-1.0	-58.85	304.59	4.53	-54.32
N#CCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640296	1	36	-1.0	-58.84	304.65	4.56	-54.28
C[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640297	0	39	-1.0	-51.69	311.69	5.63	-46.06
C[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640297	1	39	-1.0	-51.71	311.75	5.66	-46.05
O=C(CC1(C(F)(F)F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640298	0	33	-1.0	-55.38	284.87	4.02	-51.36
O=C(CC1(C(F)(F)F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640298	1	33	-1.0	-55.40	284.93	4.05	-51.35
CCOC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640299	0	37	-1.0	-50.05	300.73	2.89	-47.16
CCOC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640299	1	37	-1.0	-50.01	300.78	2.92	-47.09
O=C(COCC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640300	0	36	-1.0	-59.51	308.69	3.32	-56.19
O=C(COCC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640300	1	36	-1.0	-59.47	308.64	3.29	-56.18
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640301	0	37	-1.0	-53.96	310.84	3.80	-50.16
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640301	1	37	-1.0	-53.95	310.78	3.78	-50.17
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640302	0	36	-1.0	-52.31	301.15	4.18	-48.13
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640302	1	36	-1.0	-52.30	301.20	4.21	-48.09
O=C(C1=NC2=NC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640303	0	34	-1.0	-57.66	289.74	3.95	-53.71
O=C(C1=NC2=NC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640303	1	34	-1.0	-57.66	289.68	3.92	-53.74
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(=O)N1	REAL250004640304	0	31	-1.0	-49.09	259.53	-0.44	-49.53
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(=O)N1	REAL250004640304	1	31	-1.0	-49.10	259.59	-0.42	-49.52
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640305	0	32	-1.0	-62.71	274.48	1.94	-60.77
CC1=NN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640305	1	32	-1.0	-62.71	274.53	1.96	-60.75
O=C(C1CCNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640306	0	31	-1.0	-54.24	260.00	-0.83	-55.07
O=C(C1CCNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640306	1	31	-1.0	-54.28	260.05	-0.81	-55.09
O=C(C1=CC(C(F)F)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640307	0	30	-1.0	-49.57	266.26	1.33	-48.24
O=C(C1=CC(C(F)F)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640307	1	30	-1.0	-49.61	266.32	1.34	-48.27
O=C(C=CC1=NC=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640309	0	31	-1.0	-53.79	270.62	2.08	-51.71
O=C(C=CC1=NC=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640309	1	31	-1.0	-53.75	270.68	2.11	-51.64
CC(CC1=CNC=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640310	0	36	-1.0	-56.38	298.93	3.43	-52.95
CC(CC1=CNC=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640310	1	36	-1.0	-56.39	298.99	3.45	-52.94
CC(CC1=CN=CN1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640310	1	36	-1.0	-52.00	293.01	3.25	-48.75
O=C(CC1CCC(=O)NC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640311	0	37	-1.0	-55.45	296.14	0.95	-54.50
O=C(CC1CCC(=O)NC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640311	1	37	-1.0	-55.45	296.19	0.97	-54.48
O=C(COCC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640312	0	40	-1.0	-55.73	319.20	4.78	-50.95
O=C(COCC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640312	1	40	-1.0	-55.77	319.25	4.80	-50.97
O=C(CC1CC2CCC1O2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640313	0	38	-1.0	-50.22	297.53	2.90	-47.32
O=C(CC1CC2CCC1O2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640313	1	38	-1.0	-50.25	297.58	2.92	-47.33
O=C(C1CCN2C=CN=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640314	0	37	-1.0	-54.61	295.00	3.84	-50.77
O=C(C1CCN2C=CN=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640314	1	37	-1.0	-54.65	295.05	3.87	-50.78
CC1(C)CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640315	0	40	-1.0	-53.19	310.52	4.98	-48.21
CC1(C)CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640315	1	40	-1.0	-53.21	310.58	5.01	-48.20
CC1CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640316	0	37	-1.0	-52.99	296.06	4.63	-48.36
CC1CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640316	1	37	-1.0	-53.01	296.12	4.65	-48.36
CC(C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640317	0	41	-1.0	-59.69	321.17	4.97	-54.72
CC(C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640317	1	41	-1.0	-59.71	321.23	5.00	-54.71
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640318	0	35	-1.0	-59.35	275.23	1.99	-57.36
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640318	1	35	-1.0	-59.40	275.28	2.02	-57.38
CC(CC1=CN(C)N=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640319	0	39	-1.0	-53.02	315.16	3.40	-49.62
CC(CC1=CN(C)N=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640319	1	39	-1.0	-53.04	315.10	3.38	-49.66
CC(C)CCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640320	0	41	-1.0	-51.79	322.80	5.30	-46.49
CC(C)CCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640320	1	41	-1.0	-51.80	322.85	5.33	-46.47
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640321	0	36	-1.0	-54.24	286.14	3.48	-50.76
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640321	1	36	-1.0	-54.24	286.20	3.51	-50.73
CN1C(=O)CCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640322	0	37	-1.0	-61.34	295.87	2.49	-58.85
CN1C(=O)CCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640322	1	37	-1.0	-61.30	295.92	2.52	-58.78
O=C(CC1CC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640323	0	31	-1.0	-53.14	264.60	-1.00	-54.14
O=C(CC1CC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640323	1	31	-1.0	-53.15	264.66	-0.97	-54.12
O=C(C1CCOC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640324	0	32	-1.0	-58.45	267.89	-0.71	-59.16
O=C(C1CCOC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640324	1	32	-1.0	-58.47	267.95	-0.68	-59.15
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCC(=O)N1	REAL250004640325	0	37	-1.0	-61.26	297.66	0.66	-60.60
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC(=O)N1	REAL250004640325	1	37	-1.0	-61.26	297.72	0.67	-60.59
O=C(C1=CSC(CO)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640326	0	30	-1.0	-54.82	272.01	-1.21	-56.03
O=C(C1=CSC(CO)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640326	1	30	-1.0	-54.79	272.07	-1.18	-55.97
O=C(CCC1=CNN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640327	0	33	-1.0	-52.07	280.54	1.97	-50.10
O=C(CCC1=CNN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640327	1	33	-1.0	-52.07	280.48	1.95	-50.12
CCC1=NN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640328	0	31	-1.0	-48.96	278.30	1.70	-47.26
CCC1=NN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640328	1	31	-1.0	-48.94	278.36	1.73	-47.21
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC=C1C#N	REAL250004640329	0	33	-1.0	-49.53	288.72	3.63	-45.90
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC=C1C#N	REAL250004640329	1	33	-1.0	-49.51	288.78	3.65	-45.86
CCC(CC(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640330	0	35	-1.0	-53.88	287.49	3.73	-50.15
CCC(CC(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640330	1	35	-1.0	-53.86	287.54	3.75	-50.11
CCC(C)(C)OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640331	0	39	-1.0	-55.96	304.94	3.83	-52.13
CCC(C)(C)OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640331	1	39	-1.0	-55.94	305.00	3.85	-52.09
CC(C)(C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640332	0	42	-1.0	-55.27	318.79	5.14	-50.13
CC(C)(C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640332	1	42	-1.0	-55.30	318.85	5.17	-50.13
NS(=O)(=O)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640333	0	34	-1.0	-65.56	297.61	-2.55	-68.11
NS(=O)(=O)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640333	1	34	-1.0	-65.56	297.66	-2.53	-68.09
O=C(C1=CN=C2C=CC=NN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640334	0	32	-1.0	-64.38	273.84	2.25	-62.13
O=C(C1=CN=C2C=CC=NN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640334	1	32	-1.0	-64.35	273.79	2.23	-62.12
CC1=NON=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640335	0	31	-1.0	-61.07	271.48	1.20	-59.87
CC1=NON=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640335	1	31	-1.0	-61.05	271.54	1.22	-59.83
CC1=CN(C)N=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640336	0	33	-1.0	-57.13	275.77	2.68	-54.45
CC1=CN(C)N=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640336	1	33	-1.0	-57.12	275.71	2.65	-54.47
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004640337	0	39	-1.0	-53.32	319.65	3.80	-49.52
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004640337	1	39	-1.0	-53.29	319.59	3.77	-49.52
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640338	0	37	-1.0	-54.75	307.14	5.98	-48.77
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640338	1	37	-1.0	-54.75	307.19	6.01	-48.74
CC1=CC=CC2=C1OC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL250004640339	0	38	-1.0	-57.11	311.92	5.39	-51.72
CC1=CC=CC2=C1OC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL250004640339	1	38	-1.0	-57.12	311.97	5.41	-51.71
O=C(C1=CN=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640340	0	29	-1.0	-39.60	256.94	1.70	-37.90
O=C(C1=CN=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640340	1	29	-1.0	-39.61	256.88	1.69	-37.92
O=C(CS(=O)(=O)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640341	0	33	-1.0	-68.67	291.44	0.46	-68.21
O=C(CS(=O)(=O)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640341	1	33	-1.0	-68.62	291.49	0.49	-68.13
O=C(C(O)C1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640342	0	34	-1.0	-51.37	271.00	1.22	-50.15
O=C(C(O)C1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640342	1	34	-1.0	-51.38	271.06	1.24	-50.14
CC(C)CC1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640343	0	40	-1.0	-55.82	319.08	4.57	-51.25
CC(C)CC1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640343	1	40	-1.0	-55.82	319.14	4.58	-51.24
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640344	0	38	-1.0	-55.40	317.28	3.12	-52.28
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640344	1	38	-1.0	-55.42	317.33	3.15	-52.27
CCC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640345	0	41	-1.0	-52.66	315.27	4.76	-47.90
CCC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640345	1	41	-1.0	-52.64	315.33	4.78	-47.86
O=C(C1=CC2=CC=CNC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640346	0	33	-1.0	-72.82	281.48	3.74	-69.08
O=C(C1=CC2=CC=CNC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640346	1	33	-1.0	-72.86	281.42	3.71	-69.15
CC(=O)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640347	0	31	-1.0	-48.86	282.15	1.50	-47.36
CC(=O)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640347	1	31	-1.0	-48.82	282.21	1.51	-47.31
O=C(C1=NN2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640348	0	37	-1.0	-57.05	299.07	3.60	-53.45
O=C(C1=NN2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640348	1	37	-1.0	-57.09	299.13	3.63	-53.46
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N(C)N=C1	REAL250004640349	0	33	-1.0	-49.86	281.81	2.22	-47.64
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N(C)N=C1	REAL250004640349	1	33	-1.0	-49.85	281.75	2.20	-47.65
COCC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640350	0	39	-1.0	-52.23	304.03	2.78	-49.45
COCC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640350	1	39	-1.0	-52.26	304.09	2.81	-49.45
CCCCCCOC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640351	0	45	-1.0	-56.24	355.18	5.60	-50.64
CCCCCCOC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640351	1	45	-1.0	-56.27	355.24	5.62	-50.65
O=C(C1CCC(F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640352	0	36	-1.0	-58.51	280.87	3.95	-54.56
O=C(C1CCC(F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640352	1	36	-1.0	-58.54	280.93	3.97	-54.57
CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640353	0	35	-1.0	-54.27	290.77	4.12	-50.15
CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640353	1	35	-1.0	-54.29	290.83	4.15	-50.14
O=C(CC1CC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640354	0	33	-1.0	-53.60	280.26	3.93	-49.67
O=C(CC1CC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640354	1	33	-1.0	-53.57	280.32	3.95	-49.62
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1C	REAL250004640355	0	35	-1.0	-54.70	287.15	3.87	-50.83
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1C	REAL250004640355	1	35	-1.0	-54.69	287.20	3.89	-50.80
O=C(C1=NC2=CC=NC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640356	0	34	-1.0	-52.64	289.71	3.10	-49.54
O=C(C1=NC2=CC=NC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640356	1	34	-1.0	-52.66	289.65	3.09	-49.57
C[C@]1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL250004640357	0	40	-1.0	-51.75	320.58	6.11	-45.64
C[C@]1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250004640357	1	40	-1.0	-51.74	320.64	6.13	-45.61
CC1=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=N1	REAL250004640358	0	35	-1.0	-51.02	304.19	3.20	-47.82
CC1=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=N1	REAL250004640358	1	35	-1.0	-51.04	304.25	3.22	-47.82
O=C(C1CCC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640359	0	38	-1.0	-58.17	306.85	5.45	-52.72
O=C(C1CCC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640359	1	38	-1.0	-58.15	306.91	5.47	-52.68
CCCN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL250004640360	0	40	-1.0	-54.19	323.72	3.20	-50.99
CCCN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL250004640360	1	40	-1.0	-54.18	323.78	3.23	-50.95
CC(OC1=CC=CC=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640361	0	36	-1.0	-58.08	301.52	2.70	-55.38
CC(OC1=CC=CC=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640361	1	36	-1.0	-58.08	301.46	2.68	-55.40
COC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C	REAL250004640362	0	34	-1.0	-54.61	288.22	0.23	-54.38
COC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C	REAL250004640362	1	34	-1.0	-54.63	288.16	0.20	-54.43
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640363	0	39	-1.0	-60.49	312.75	4.04	-56.45
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640363	1	39	-1.0	-60.49	312.80	4.07	-56.42
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640364	0	29	-1.0	-48.26	257.80	2.77	-45.49
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640364	1	29	-1.0	-48.23	257.86	2.80	-45.43
CC1=CC(Cl)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640365	0	32	-1.0	-47.34	282.61	2.84	-44.50
CC1=CC(Cl)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640365	1	32	-1.0	-47.34	282.67	2.86	-44.48
O=C(CC1=CC=CC(C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640366	0	40	-1.0	-52.91	328.49	6.77	-46.14
O=C(CC1=CC=CC(C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640366	1	40	-1.0	-52.94	328.54	6.79	-46.15
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640367	0	31	-1.0	-51.92	265.22	1.92	-50.00
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640367	1	31	-1.0	-51.91	265.28	1.94	-49.97
CCCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN1	REAL250004640368	0	37	-1.0	-56.87	297.35	3.62	-53.25
CCCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN1	REAL250004640368	1	37	-1.0	-56.82	297.40	3.63	-53.19
COC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640369	0	39	-1.0	-53.77	300.36	3.49	-50.28
COC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640369	1	39	-1.0	-53.72	300.42	3.50	-50.22
COCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640370	0	36	-1.0	-49.98	307.92	0.45	-49.53
COCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640370	1	36	-1.0	-49.99	307.86	0.42	-49.57
O=C(C1SCCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640371	0	32	-1.0	-54.85	274.43	3.34	-51.51
O=C(C1SCCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640371	1	32	-1.0	-54.88	274.48	3.37	-51.51
O=C(C1CCC2CC2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640372	0	37	-1.0	-52.43	283.42	4.53	-47.90
O=C(C1CCC2CC2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640372	1	37	-1.0	-52.44	283.48	4.55	-47.89
CC1=C(F)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640373	0	33	-1.0	-50.65	275.93	4.27	-46.38
CC1=C(F)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640373	1	33	-1.0	-50.66	275.98	4.30	-46.36
CN1C=NC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640374	0	34	-1.0	-55.17	288.60	4.28	-50.89
CN1C=NC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640374	1	34	-1.0	-55.18	288.66	4.30	-50.88
CC1=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004640375	0	33	-1.0	-57.66	292.20	2.98	-54.68
CC1=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004640375	1	33	-1.0	-57.65	292.26	3.01	-54.64
CN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL250004640376	0	37	-1.0	-51.81	297.48	2.12	-49.69
CN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL250004640376	1	37	-1.0	-51.83	297.54	2.13	-49.70
CCN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL250004640377	0	40	-1.0	-52.08	314.33	2.89	-49.19
CCN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL250004640377	1	40	-1.0	-52.08	314.38	2.91	-49.17
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CC=N1	REAL250004640378	0	36	-1.0	-53.79	296.23	3.13	-50.66
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CC=N1	REAL250004640378	1	36	-1.0	-53.80	296.17	3.10	-50.70
C=CC(=O)N(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640379	0	34	-1.0	-63.49	288.44	2.24	-61.25
C=CC(=O)N(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640379	1	34	-1.0	-63.48	288.50	2.27	-61.21
O=C(CC1CS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640380	0	33	-1.0	-59.63	286.12	-0.37	-60.00
O=C(CC1CS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640380	1	33	-1.0	-59.66	286.18	-0.34	-60.00
COC1=NSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640381	0	30	-1.0	-48.53	270.21	-0.57	-49.10
COC1=NSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640381	1	30	-1.0	-48.55	270.15	-0.60	-49.15
CC1=C2OC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=CC=C1	REAL250004640382	0	36	-1.0	-56.60	303.11	4.75	-51.85
CC1=C2OC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=CC=C1	REAL250004640382	1	36	-1.0	-56.66	303.05	4.74	-51.92
O=C(C(F)=C1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640383	0	31	-1.0	-48.78	260.97	3.64	-45.14
O=C(C(F)=C1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640383	1	31	-1.0	-48.72	261.03	3.66	-45.06
CNC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640384	0	33	-1.0	-54.56	278.27	0.53	-54.03
CNC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640384	1	33	-1.0	-54.54	278.22	0.51	-54.03
CC1CCCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640385	0	39	-1.0	-52.31	287.37	4.41	-47.90
CC1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640385	1	39	-1.0	-52.30	287.42	4.43	-47.87
C=CCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640386	0	36	-1.0	-50.62	308.55	2.70	-47.92
C=CCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640386	1	36	-1.0	-50.61	308.50	2.67	-47.94
O=C(C1=NC2=CN=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640387	0	34	-1.0	-52.40	289.68	3.12	-49.28
O=C(C1=NC2=CN=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640387	1	34	-1.0	-52.33	289.62	3.10	-49.23
NC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640388	0	31	-1.0	-60.67	269.66	3.10	-57.57
NC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640388	1	31	-1.0	-60.68	269.60	3.07	-57.61
O=C(C1CCCC(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640389	0	36	-1.0	-55.40	282.46	4.00	-51.40
O=C(C1CCCC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640389	1	36	-1.0	-55.40	282.52	4.02	-51.38
CN1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC1=O	REAL250004640390	0	33	-1.0	-60.09	276.35	-0.69	-60.78
CN1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC1=O	REAL250004640390	1	33	-1.0	-60.14	276.40	-0.68	-60.82
CC1=C(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640391	0	40	-1.0	-52.41	305.97	5.03	-47.38
CC1=C(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640391	1	40	-1.0	-52.39	306.03	5.05	-47.34
O=C(C1=CN2CCCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640392	0	34	-1.0	-58.03	281.03	4.01	-54.02
O=C(C1=CN2CCCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640392	1	34	-1.0	-58.06	281.09	4.05	-54.01
CON1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640393	0	39	-1.0	-54.04	299.62	1.07	-52.97
CON1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640393	1	39	-1.0	-54.04	299.68	1.10	-52.94
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=NC=C1	REAL250004640395	0	35	-1.0	-55.75	291.43	3.33	-52.42
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=NC=C1	REAL250004640395	1	35	-1.0	-55.72	291.49	3.34	-52.38
O=C(C1CC2(CCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640396	0	37	-1.0	-53.39	294.35	4.79	-48.60
O=C(C1CC2(CCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640396	1	37	-1.0	-53.41	294.41	4.81	-48.60
COC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640397	0	33	-1.0	-56.38	278.30	2.08	-54.30
COC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640397	1	33	-1.0	-56.42	278.24	2.06	-54.36
CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640398	0	33	-1.0	-57.21	278.64	2.85	-54.36
CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640398	1	33	-1.0	-57.19	278.58	2.83	-54.36
O=C(C=CC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640399	0	37	-1.0	-52.59	297.21	4.93	-47.66
O=C(C=CC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640399	1	37	-1.0	-52.58	297.27	4.95	-47.63
O=C(C1=CN2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640400	0	38	-1.0	-57.10	300.85	4.88	-52.22
O=C(C1=CN2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640400	1	38	-1.0	-57.13	300.91	4.90	-52.23
CCNC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640402	0	34	-1.0	-52.59	297.85	2.38	-50.21
CCNC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640402	1	34	-1.0	-52.55	297.79	2.35	-50.20
COCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640403	0	37	-1.0	-50.01	302.73	2.76	-47.25
COCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640403	1	37	-1.0	-50.00	302.79	2.78	-47.22
O=C(C1CCC2=NC=NC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640404	0	38	-1.0	-51.56	304.17	4.05	-47.51
O=C(C1CCC2=NC=NC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640404	1	38	-1.0	-51.55	304.23	4.06	-47.49
CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1(F)Cl	REAL250004640405	0	33	-1.0	-47.75	290.74	4.25	-43.50
CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1(F)Cl	REAL250004640405	1	33	-1.0	-47.76	290.79	4.28	-43.48
O=C(CC1=C2C=CC=CN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640406	0	36	-1.0	-57.62	307.03	4.50	-53.12
O=C(CC1=C2C=CC=CN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640406	1	36	-1.0	-57.62	306.98	4.47	-53.15
CC(C)CN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640407	0	39	-1.0	-49.95	305.75	3.57	-46.38
CC(C)CN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640407	1	39	-1.0	-49.92	305.70	3.55	-46.37
O=C(C1=NN2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640408	0	35	-1.0	-56.59	289.97	1.20	-55.39
O=C(C1=NN2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640408	1	35	-1.0	-56.62	290.02	1.22	-55.40
CC(C)=CCCC(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640409	0	45	-1.0	-51.42	348.64	6.43	-44.99
CC(C)=CCCC(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640409	1	45	-1.0	-51.43	348.70	6.45	-44.98
CN1C=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640410	0	33	-1.0	-59.03	281.30	2.42	-56.61
CN1C=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640410	1	33	-1.0	-59.10	281.36	2.45	-56.65
O=C(C1=CC=CC2=CC=NC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640411	0	35	-1.0	-56.99	291.14	4.10	-52.89
O=C(C1=CC=CC2=CC=NC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640411	1	35	-1.0	-57.00	291.08	4.08	-52.92
C=CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640412	0	33	-1.0	-51.17	287.04	1.94	-49.23
C=CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640412	1	33	-1.0	-51.14	286.98	1.91	-49.23
O=C(C1=CN(C2CCC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640413	0	36	-1.0	-50.34	298.15	2.51	-47.83
O=C(C1=CN(C2CCC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640413	1	36	-1.0	-50.36	298.09	2.48	-47.88
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640414	0	42	-1.0	-53.14	328.24	5.57	-47.57
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640414	1	42	-1.0	-53.16	328.30	5.59	-47.57
O=C(C1CS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640415	0	30	-1.0	-56.08	264.54	-1.14	-57.22
O=C(C1CS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640415	1	30	-1.0	-56.06	264.60	-1.12	-57.18
O=C(C1CCCNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640416	0	34	-1.0	-53.49	275.98	0.13	-53.36
O=C(C1CCCNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640416	1	34	-1.0	-53.52	276.03	0.15	-53.37
CN1C(=O)NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640417	0	31	-1.0	-53.84	263.35	0.27	-53.57
CN1C(=O)NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640417	1	31	-1.0	-53.90	263.41	0.28	-53.62
O=C(CC1CSC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640418	0	31	-1.0	-53.45	266.94	3.37	-50.08
O=C(CC1CSC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640418	1	31	-1.0	-53.42	267.00	3.40	-50.02
COC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640419	0	34	-1.0	-60.97	289.31	-0.67	-61.64
COC1=NN(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640419	1	34	-1.0	-60.92	289.25	-0.68	-61.60
CSC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004640420	0	31	-1.0	-54.92	277.73	2.90	-52.02
CSC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004640420	1	31	-1.0	-54.98	277.79	2.93	-52.05
CC1=NN(C(C)C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640421	0	39	-1.0	-55.31	313.28	3.36	-51.95
CC1=NN(C(C)C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640421	1	39	-1.0	-55.29	313.34	3.37	-51.92
O=C(C1=CC=C(C(F)F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640422	0	32	-1.0	-50.19	280.05	2.64	-47.55
O=C(C1=CC=C(C(F)F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640422	1	32	-1.0	-50.21	280.11	2.67	-47.54
CC(C)(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640424	0	42	-1.0	-54.94	326.88	5.87	-49.07
CC(C)(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640424	1	42	-1.0	-54.96	326.93	5.90	-49.06
O=C(C1=CC=CC(C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640425	0	37	-1.0	-52.61	300.53	5.68	-46.93
O=C(C1=CC=CC(C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640425	1	37	-1.0	-52.65	300.59	5.71	-46.94
CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)N1C	REAL250004640426	0	36	-1.0	-67.41	308.49	2.93	-64.48
CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)N1C	REAL250004640426	1	36	-1.0	-67.41	308.55	2.95	-64.46
O=C(CC1OCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640427	0	38	-1.0	-57.33	313.73	4.63	-52.70
O=C(CC1OCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640427	1	38	-1.0	-57.32	313.79	4.65	-52.67
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640428	0	31	-1.0	-50.22	268.85	2.36	-47.86
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640428	1	31	-1.0	-50.23	268.91	2.38	-47.85
O=C(CCC1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640429	0	45	-1.0	-51.91	332.62	6.05	-45.86
O=C(CCC1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640429	1	45	-1.0	-51.95	332.68	6.07	-45.88
O=C(C1CCCS1(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640430	0	33	-1.0	-61.24	278.68	0.84	-60.40
O=C(C1CCCS1(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640430	1	33	-1.0	-61.21	278.73	0.86	-60.35
CC(C)(C)N1CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640431	1	41	-1.0	-48.78	289.51	0.37	-48.41
CC(C)(C)N1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640431	1	41	-1.0	-48.76	289.57	0.39	-48.37
O=C(CC1=CC=CN=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640432	0	32	-1.0	-52.86	288.28	3.26	-49.60
O=C(CC1=CC=CN=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640432	1	32	-1.0	-52.82	288.22	3.23	-49.59
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC=N1	REAL250004640434	0	33	-1.0	-54.53	271.27	3.03	-51.50
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC=N1	REAL250004640434	1	33	-1.0	-54.55	271.33	3.04	-51.51
CC1=CN=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CN12	REAL250004640435	0	36	-1.0	-57.73	307.53	4.94	-52.79
CC1=CN=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CN12	REAL250004640435	1	36	-1.0	-57.75	307.59	4.95	-52.80
CN1C(Cl)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640436	0	30	-1.0	-48.23	266.58	2.47	-45.76
CN1C(Cl)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640436	1	30	-1.0	-48.20	266.53	2.45	-45.75
CN1C(=O)CSC1=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640437	0	33	-1.0	-52.80	286.87	2.38	-50.42
CN1C(=O)CSC1=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640437	1	33	-1.0	-52.79	286.93	2.41	-50.38
CC1=CC=CC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N21	REAL250004640438	0	36	-1.0	-55.14	288.05	4.51	-50.63
CC1=CC=CC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N21	REAL250004640438	1	36	-1.0	-55.11	288.00	4.50	-50.61
CC(=CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640439	0	36	-1.0	-40.72	292.33	3.15	-37.57
CC(=CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640439	1	36	-1.0	-40.74	292.39	3.16	-37.58
CC(=CC1=CC=CC=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640440	0	36	-1.0	-52.71	303.98	4.88	-47.83
CC(=CC1=CC=CC=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640440	1	36	-1.0	-52.67	304.04	4.89	-47.78
CC(=CC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640441	0	36	-1.0	-55.24	290.67	3.59	-51.65
CC(=CC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640441	1	36	-1.0	-55.22	290.73	3.61	-51.61
CC(=CC1=CC=CO1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640442	0	34	-1.0	-52.00	289.84	4.00	-48.00
CC(=CC1=CC=CO1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640442	1	34	-1.0	-52.00	289.89	4.03	-47.97
O=C(C1=COC(CO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640443	0	31	-1.0	-54.64	266.00	-0.90	-55.54
O=C(C1=COC(CO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640443	1	31	-1.0	-54.61	266.06	-0.89	-55.50
C[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640444	0	39	-1.0	-53.25	296.94	4.53	-48.72
C[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640444	1	39	-1.0	-53.24	297.00	4.55	-48.69
O=C(C1=CC2=CN=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640445	0	35	-1.0	-53.52	292.69	4.03	-49.49
O=C(C1=CC2=CN=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640445	1	35	-1.0	-53.50	292.74	4.06	-49.44
O=C(C1=C2NC=NC2=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640447	0	32	-1.0	-51.46	272.23	1.42	-50.04
O=C(C1=CNC=C2N=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640447	1	32	-1.0	-67.93	280.21	1.87	-66.06
O=C(C1=C2NC=NC2=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640447	1	32	-1.0	-51.47	272.18	1.40	-50.07
O=C(C1=CNC=C2N=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640447	1	32	-1.0	-67.95	280.15	1.85	-66.10
O=C(CNC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640448	0	34	-1.0	-54.96	286.94	2.03	-52.93
O=C(CNC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640448	1	34	-1.0	-54.97	287.00	2.06	-52.91
O=C(C1CCS(=O)(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640449	0	32	-1.0	-62.38	274.70	-2.90	-65.28
O=C(C1CCS(=O)(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640449	1	32	-1.0	-62.31	274.76	-2.88	-65.19
O=C(C=CC1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640450	0	43	-1.0	-52.19	327.33	5.96	-46.23
O=C(C=CC1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640450	1	43	-1.0	-52.21	327.39	5.99	-46.22
O=C(C1CCC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640451	0	40	-1.0	-52.34	314.27	6.05	-46.29
O=C(C1CCC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640451	1	40	-1.0	-52.37	314.32	6.08	-46.29
O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640452	0	37	-1.0	-53.12	298.50	5.16	-47.96
O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640452	1	37	-1.0	-53.12	298.56	5.18	-47.94
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640453	0	38	-1.0	-55.15	289.29	4.79	-50.36
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640453	1	38	-1.0	-55.18	289.35	4.82	-50.36
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CN=C1	REAL250004640454	0	36	-1.0	-48.76	296.81	4.60	-44.16
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CN=C1	REAL250004640454	1	36	-1.0	-48.77	296.87	4.63	-44.14
CCN1C=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640455	0	36	-1.0	-59.06	302.83	3.29	-55.77
CCN1C=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640455	1	36	-1.0	-59.05	302.89	3.32	-55.73
CSC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640456	0	33	-1.0	-57.35	283.42	3.74	-53.61
CSC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640456	1	33	-1.0	-57.37	283.36	3.71	-53.66
CSC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640457	0	33	-1.0	-52.14	286.89	3.72	-48.42
CSC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640457	1	33	-1.0	-52.14	286.83	3.69	-48.45
CCC1=NOC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640458	0	32	-1.0	-52.39	268.47	2.48	-49.91
CCC1=NOC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640458	1	32	-1.0	-52.40	268.53	2.49	-49.91
O=C(C1CC1C1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640459	0	40	-1.0	-52.53	304.95	5.63	-46.90
O=C(C1CC1C1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640459	1	40	-1.0	-52.51	305.01	5.66	-46.85
COC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)F	REAL250004640460	0	33	-1.0	-49.86	287.22	2.56	-47.30
COC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)F	REAL250004640460	1	33	-1.0	-49.83	287.27	2.59	-47.24
CSCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640461	0	37	-1.0	-49.31	312.32	4.85	-44.46
CSCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640461	1	37	-1.0	-49.37	312.38	4.88	-44.49
NC(=O)C1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640462	0	33	-1.0	-66.36	292.14	-0.50	-66.86
NC(=O)C1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640462	1	33	-1.0	-66.37	292.08	-0.53	-66.90
CC(C)(C)N1N=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640463	0	37	-1.0	-52.91	308.87	1.93	-50.98
CC(C)(C)N1N=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640463	1	37	-1.0	-52.95	308.81	1.91	-51.04
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C#N	REAL250004640464	0	35	-1.0	-52.05	300.40	3.27	-48.78
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C#N	REAL250004640464	1	35	-1.0	-52.06	300.46	3.29	-48.77
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CN2C=C1	REAL250004640465	0	36	-1.0	-63.89	301.15	6.40	-57.49
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CN2C=C1	REAL250004640465	1	36	-1.0	-63.90	301.09	6.37	-57.53
N#CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL250004640466	0	40	-1.0	-65.44	311.94	4.65	-60.79
N#CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL250004640466	1	40	-1.0	-65.46	312.00	4.68	-60.78
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)(C)C	REAL250004640467	0	39	-1.0	-51.31	302.43	4.61	-46.70
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)(C)C	REAL250004640467	1	39	-1.0	-51.33	302.49	4.64	-46.69
COC1=NOC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640468	0	36	-1.0	-51.53	308.65	1.04	-50.49
COC1=NOC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640468	1	36	-1.0	-51.53	308.71	1.07	-50.46
O=C(C1=C2C=CNC2=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640469	0	32	-1.0	-55.19	273.00	3.60	-51.59
O=C(C1=C2C=CNC2=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640469	1	32	-1.0	-55.22	272.94	3.58	-51.64
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640470	0	33	-1.0	-56.39	288.94	1.70	-54.69
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640470	1	33	-1.0	-56.41	289.00	1.72	-54.69
CNC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640471	0	31	-1.0	-53.29	276.36	1.55	-51.74
CNC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640471	1	31	-1.0	-53.32	276.31	1.52	-51.80
O=C(CN1C=C(C2CC2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640472	0	37	-1.0	-57.46	310.81	4.21	-53.25
O=C(CN1C=C(C2CC2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640472	1	37	-1.0	-57.46	310.75	4.19	-53.27
O=C(C1=CC=CC2=C1COCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640473	0	38	-1.0	-40.63	292.31	3.16	-37.47
O=C(C1=CC=CC2=C1COCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640473	1	38	-1.0	-40.72	292.37	3.15	-37.57
O=C(C1CC2(CC2(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640474	0	34	-1.0	-57.47	291.55	4.51	-52.96
O=C(C1CC2(CC2(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640474	1	34	-1.0	-57.50	291.61	4.53	-52.97
O=C(C(CO)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640475	0	37	-1.0	-56.51	306.71	1.73	-54.78
O=C(C(CO)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640475	1	37	-1.0	-56.46	306.76	1.74	-54.72
CC(C)(O)C(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640476	0	34	-1.0	-52.28	269.89	-2.12	-54.40
CC(C)(O)C(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640476	1	34	-1.0	-52.32	269.95	-2.10	-54.42
CCC(O)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640477	0	36	-1.0	-55.94	280.25	1.25	-54.69
CCC(O)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640477	1	36	-1.0	-55.89	280.31	1.28	-54.61
CCC1=CNC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640478	0	36	-1.0	-59.07	301.21	2.74	-56.33
CCC1=CNC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640478	1	36	-1.0	-59.05	301.27	2.77	-56.28
O=C(C1=NN2C=CC=NC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640479	0	31	-1.0	-63.91	272.55	4.60	-59.31
O=C(C1=NN2C=CC=NC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640479	1	31	-1.0	-63.85	272.49	4.57	-59.28
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CO1	REAL250004640480	0	34	-1.0	-51.69	287.81	4.02	-47.67
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CO1	REAL250004640480	1	34	-1.0	-51.66	287.87	4.05	-47.61
CC1=NNC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL250004640481	0	36	-1.0	-40.87	292.78	2.29	-38.58
CC1=NNC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL250004640481	1	36	-1.0	-40.85	292.72	2.31	-38.54
CC1=CC=NC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640482	0	35	-1.0	-52.97	291.32	3.37	-49.60
CC1=CC=NC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640482	1	35	-1.0	-52.93	291.38	3.39	-49.54
O=C(C1=CC=NN1C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640483	0	30	-1.0	-56.17	261.68	1.62	-54.55
O=C(C1=CC=NN1C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640483	1	30	-1.0	-56.17	261.62	1.60	-54.57
CC1=NN(C(C)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640484	0	39	-1.0	-54.46	318.12	3.71	-50.75
CC1=NN(C(C)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640484	1	39	-1.0	-54.50	318.18	3.73	-50.77
O=C(C1CCCC2CC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640485	0	37	-1.0	-53.04	287.94	4.72	-48.32
O=C(C1CCCC2CC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640485	1	37	-1.0	-53.03	288.00	4.74	-48.29
O=C(CCCC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640486	0	38	-1.0	-55.33	317.05	4.46	-50.87
O=C(CCCC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640486	1	38	-1.0	-55.32	317.11	4.49	-50.83
O=C(C1=CC=C(CF)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640487	0	33	-1.0	-53.87	278.68	4.37	-49.50
O=C(C1=CC=C(CF)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640487	1	33	-1.0	-53.85	278.73	4.39	-49.46
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCOC1	REAL250004640488	0	38	-1.0	-57.81	301.36	1.70	-56.11
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCOC1	REAL250004640488	1	38	-1.0	-57.76	301.41	1.72	-56.04
O=C(C1=CC=C2COCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640489	0	38	-1.0	-42.07	297.75	3.16	-38.91
O=C(C1=CC=C2COCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640489	1	38	-1.0	-41.97	298.07	3.14	-38.83
O=C(CCC1CC1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640490	0	33	-1.0	-54.15	285.43	4.18	-49.97
O=C(CCC1CC1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640490	1	33	-1.0	-54.17	285.49	4.21	-49.96
COCCCOCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640491	0	40	-1.0	-50.65	330.00	1.59	-49.06
COCCCOCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640491	1	40	-1.0	-50.59	330.06	1.61	-48.98
COCC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640492	0	36	-1.0	-52.15	300.84	1.44	-50.71
COCC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640492	1	36	-1.0	-52.13	300.78	1.41	-50.72
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC=C1	REAL250004640493	0	33	-1.0	-54.47	280.58	3.44	-51.03
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC=C1	REAL250004640493	1	33	-1.0	-54.46	280.64	3.47	-50.99
O=C(C1=CN=C2CCCN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640494	0	34	-1.0	-56.44	277.73	3.11	-53.33
O=C(C1=CN=C2CCCN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640494	1	34	-1.0	-56.41	277.79	3.13	-53.28
CC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N)=N1	REAL250004640495	0	33	-1.0	-47.59	276.22	0.58	-47.01
CC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N)=N1	REAL250004640495	1	33	-1.0	-47.62	276.28	0.59	-47.03
O=C(C1=C2CCCCN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640497	0	38	-1.0	-58.81	297.88	4.88	-53.93
O=C(C1=C2CCCCN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640497	1	38	-1.0	-58.79	297.94	4.89	-53.90
CCNC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640498	0	34	-1.0	-54.34	295.60	1.53	-52.81
CCNC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640498	1	34	-1.0	-54.32	295.54	1.50	-52.82
O=C(C1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640499	0	37	-1.0	-53.49	299.92	5.66	-47.83
O=C(C1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640499	1	37	-1.0	-53.51	299.97	5.68	-47.83
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCC1	REAL250004640500	0	40	-1.0	-52.00	302.75	3.60	-48.40
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCC1	REAL250004640500	1	40	-1.0	-51.98	302.81	3.63	-48.35
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640501	0	40	-1.0	-52.62	323.46	6.49	-46.13
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640501	1	40	-1.0	-52.64	323.52	6.52	-46.12
O=C(C1CC2=CC=CC=C2CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640502	0	38	-1.0	-56.34	307.32	4.96	-51.38
O=C(C1CC2=CC=CC=C2CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640502	1	38	-1.0	-56.34	307.38	4.99	-51.35
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL250004640503	0	43	-1.0	-55.85	325.01	4.69	-51.16
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL250004640503	1	43	-1.0	-55.85	325.07	4.71	-51.14
CC(CC1=CC=CO1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640504	0	36	-1.0	-52.08	294.06	3.85	-48.23
CC(CC1=CC=CO1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640504	1	36	-1.0	-52.07	294.12	3.88	-48.19
CC1CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C2O1	REAL250004640505	0	38	-1.0	-43.20	301.29	3.64	-39.56
CC1CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C2O1	REAL250004640505	1	38	-1.0	-43.13	301.36	3.64	-39.49
O=C(C1CC2(C1)CCCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640506	0	43	-1.0	-53.79	325.30	5.85	-47.94
O=C(C1CC2(C1)CCCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640506	1	43	-1.0	-53.74	325.36	5.88	-47.86
COCC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640507	0	34	-1.0	-54.85	297.55	2.31	-52.54
COCC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640507	1	34	-1.0	-54.86	297.61	2.33	-52.53
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640508	0	37	-1.0	-58.49	285.66	3.61	-54.88
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640508	1	37	-1.0	-58.48	285.72	3.62	-54.86
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCO1	REAL250004640509	0	40	-1.0	-50.04	309.20	3.35	-46.69
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCO1	REAL250004640509	1	40	-1.0	-50.05	309.26	3.38	-46.67
O=C(C1=NOC2=C1COCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640510	0	34	-1.0	-52.57	283.47	1.80	-50.77
O=C(C1=NOC2=C1COCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640510	1	34	-1.0	-52.62	283.53	1.83	-50.79
CC1=CN2C=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=N1	REAL250004640511	0	36	-1.0	-42.26	292.66	4.18	-38.08
CC1=CN2C=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=N1	REAL250004640511	1	36	-1.0	-42.27	292.72	4.18	-38.09
O=C(C1=CN(C2CC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640512	0	33	-1.0	-50.93	282.50	2.05	-48.88
O=C(C1=CN(C2CC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640512	1	33	-1.0	-50.95	282.44	2.03	-48.92
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL250004640513	0	35	-1.0	-55.11	291.04	2.44	-52.67
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL250004640513	1	35	-1.0	-55.17	291.10	2.47	-52.70
O=C(C1CCC2C(C1)C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640514	0	37	-1.0	-58.05	293.11	4.61	-53.44
O=C(C1CCC2C(C1)C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640514	1	37	-1.0	-58.07	293.16	4.63	-53.44
O=C(COCC(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640515	0	30	-1.0	-62.08	266.82	2.35	-59.73
O=C(COCC(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640515	1	30	-1.0	-62.09	266.88	2.37	-59.72
COC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004640516	0	30	-1.0	-49.98	263.53	-1.31	-51.29
COC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004640516	1	30	-1.0	-49.93	263.47	-1.34	-51.27
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640517	0	40	-1.0	-50.15	319.69	3.48	-46.67
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640517	1	40	-1.0	-50.18	319.75	3.50	-46.68
O=C(C1=NC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640518	0	29	-1.0	-59.53	253.11	2.84	-56.69
O=C(C1=NC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640518	1	29	-1.0	-59.52	253.05	2.81	-56.71
CC1=CC=CC=C1CC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640519	0	42	-1.0	-51.81	329.02	6.17	-45.64
CC1=CC=CC=C1CC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640519	1	42	-1.0	-51.83	329.07	6.19	-45.64
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004640520	0	33	-1.0	-49.52	288.85	3.83	-45.69
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004640520	1	33	-1.0	-49.54	288.90	3.85	-45.69
CC(C)C1=NC=CN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640521	0	39	-1.0	-56.95	321.92	4.53	-52.42
CC(C)C1=NC=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640521	1	39	-1.0	-56.99	321.98	4.54	-52.45
O=C(C1CN(C2CCOC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640522	0	40	-1.0	-58.50	316.63	-0.40	-58.90
O=C(C1CN(C2CCOC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640522	1	40	-1.0	-58.52	316.69	-0.38	-58.90
COCC(OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640523	0	34	-1.0	-52.93	281.28	0.79	-52.14
COCC(OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640523	1	34	-1.0	-52.94	281.34	0.82	-52.12
O=C(C1=CN=C2COCCN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640524	0	35	-1.0	-52.39	283.58	1.28	-51.11
O=C(C1=CN=C2COCCN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640524	1	35	-1.0	-52.37	283.64	1.30	-51.07
N#CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL250004640525	0	38	-1.0	-62.92	303.52	2.31	-60.61
N#CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL250004640525	1	38	-1.0	-62.95	303.58	2.34	-60.61
CN1CCC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640526	1	35	-1.0	-50.38	270.81	0.42	-49.96
CN1CCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640526	1	35	-1.0	-50.40	270.87	0.45	-49.95
CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640527	1	35	-1.0	-55.10	278.08	0.93	-54.17
CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640527	1	35	-1.0	-55.08	278.14	0.96	-54.12
O=C(C1=CN=C(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640528	0	33	-1.0	-50.14	284.35	1.21	-48.93
O=C(C1=CN=C(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640528	1	33	-1.0	-50.18	284.41	1.23	-48.95
CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)O1	REAL250004640530	0	32	-1.0	-63.56	283.57	-0.51	-64.07
CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)O1	REAL250004640530	1	32	-1.0	-63.57	283.62	-0.49	-64.06
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CO1	REAL250004640531	0	36	-1.0	-50.76	298.06	4.15	-46.61
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CO1	REAL250004640531	1	36	-1.0	-50.78	298.11	4.18	-46.60
O=C(C1C2CCCCCCC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640532	0	43	-1.0	-52.71	313.79	5.67	-47.04
O=C(C1C2CCCCCCC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640532	1	43	-1.0	-52.67	313.85	5.69	-46.98
O=C(C1=CC2=NN=NN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640533	0	31	-1.0	-52.90	276.00	1.98	-50.92
O=C(C1=CC2=NN=NN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640533	1	31	-1.0	-52.85	275.94	1.96	-50.89
O=C(C1CCC(C2CC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640534	0	43	-1.0	-53.22	326.77	5.97	-47.25
O=C(C1CCC(C2CC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640534	1	43	-1.0	-53.20	326.83	5.99	-47.21
CCCC(OCC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640536	0	39	-1.0	-55.47	311.23	4.05	-51.42
CCCC(OCC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640536	1	39	-1.0	-55.53	311.29	4.07	-51.46
COC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640537	0	34	-1.0	-51.12	278.29	1.86	-49.26
COC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640537	1	34	-1.0	-51.10	278.35	1.89	-49.21
O=C(C1C2CC3=CC=CC=C3C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640538	0	38	-1.0	-54.02	305.10	6.38	-47.64
O=C(C1C2CC3=CC=CC=C3C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640538	1	38	-1.0	-54.04	305.16	6.41	-47.63
CCOC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004640539	0	37	-1.0	-54.85	298.80	4.17	-50.68
CCOC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004640539	1	37	-1.0	-54.86	298.85	4.20	-50.66
CSC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640540	0	34	-1.0	-50.95	296.95	3.90	-47.05
CSC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640540	1	34	-1.0	-51.01	297.01	3.93	-47.08
O=C(C=CC1=CC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640541	0	31	-1.0	-52.68	278.43	4.23	-48.45
O=C(C=CC1=CC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640541	1	31	-1.0	-52.68	278.49	4.26	-48.42
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640542	0	39	-1.0	-41.70	305.26	4.98	-36.72
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640542	1	39	-1.0	-41.69	305.32	4.98	-36.71
O=C(C1=CN(C2CC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640543	0	34	-1.0	-52.86	284.45	2.91	-49.95
O=C(C1=CN(C2CC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640543	1	34	-1.0	-52.89	284.40	2.90	-49.99
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=NC=C1	REAL250004640544	0	38	-1.0	-50.63	309.42	4.15	-46.48
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=NC=C1	REAL250004640544	1	38	-1.0	-50.66	309.48	4.17	-46.49
O=C([C@@H]1COC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640545	0	29	-1.0	-58.41	250.60	-1.81	-60.22
O=C([C@@H]1COC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640545	1	29	-1.0	-58.40	250.65	-1.78	-60.18
O=C(CC1=CSC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640546	0	29	-1.0	-54.90	262.77	1.83	-53.07
O=C(CC1=CSC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640546	1	29	-1.0	-54.90	262.82	1.86	-53.04
O=C(CN1C=CC(C(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640547	0	33	-1.0	-61.46	294.07	2.90	-58.56
O=C(CN1C=CC(C(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640547	1	33	-1.0	-61.50	294.13	2.92	-58.58
CC1=CN2C=CN=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640548	0	36	-1.0	-69.39	306.92	5.12	-64.27
CC1=CN2C=CN=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640548	1	36	-1.0	-69.40	306.98	5.15	-64.25
O=C(C1CCCC2(CC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640549	0	40	-1.0	-53.24	307.55	5.21	-48.03
O=C(C1CCCC2(CC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640549	1	40	-1.0	-53.26	307.60	5.23	-48.03
CCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640550	0	36	-1.0	-51.04	293.04	3.01	-48.03
CCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640550	1	36	-1.0	-51.06	292.99	2.99	-48.07
CC1=CN=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640551	0	33	-1.0	-56.35	280.17	4.20	-52.15
CC1=CN=CN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640551	1	33	-1.0	-56.34	280.12	4.17	-52.17
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004640552	0	37	-1.0	-53.44	298.72	3.62	-49.82
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004640552	1	37	-1.0	-53.47	298.78	3.64	-49.83
CCC1=CNC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640553	0	36	-1.0	-44.81	287.45	0.65	-44.16
CCC1=CNC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640553	1	36	-1.0	-44.79	287.51	0.67	-44.12
O=C(C(O)CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640554	0	37	-1.0	-52.72	306.25	3.14	-49.58
O=C(C(O)CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640554	1	37	-1.0	-52.74	306.31	3.15	-49.59
CN1N=CC(Cl)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640555	0	30	-1.0	-46.32	277.70	2.13	-44.19
CN1N=CC(Cl)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640555	1	30	-1.0	-46.31	277.64	2.12	-44.19
CC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1	REAL250004640556	0	39	-1.0	-53.53	322.07	6.00	-47.53
CC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1	REAL250004640556	1	39	-1.0	-53.57	322.13	6.02	-47.55
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640557	0	34	-1.0	-52.04	288.09	1.21	-50.83
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640557	1	34	-1.0	-52.06	288.15	1.23	-50.83
CCN1N=CC(Cl)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640558	0	33	-1.0	-47.78	298.99	2.95	-44.83
CCN1N=CC(Cl)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640558	1	33	-1.0	-47.74	298.93	2.94	-44.80
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCC1	REAL250004640559	0	37	-1.0	-57.22	290.17	3.36	-53.86
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC1	REAL250004640559	1	37	-1.0	-57.25	290.23	3.37	-53.88
CCCCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004640560	0	44	-1.0	-51.71	327.18	5.67	-46.04
CCCCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004640560	1	44	-1.0	-51.69	327.23	5.69	-46.00
CCN1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640561	0	33	-1.0	-56.65	278.96	4.61	-52.04
CCN1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640561	1	33	-1.0	-56.61	278.90	4.58	-52.03
O=C(C1CCC2(CC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640562	0	40	-1.0	-53.24	307.47	5.19	-48.05
O=C(C1CCC2(CC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640562	1	40	-1.0	-53.28	307.53	5.21	-48.07
CN1C=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640563	0	30	-1.0	-57.24	272.43	2.52	-54.72
CN1C=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640563	1	30	-1.0	-57.26	272.38	2.50	-54.76
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640564	0	38	-1.0	-54.34	317.66	4.47	-49.87
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640564	1	38	-1.0	-54.34	317.72	4.49	-49.85
O=C(C1=C(Cl)SC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640565	0	27	-1.0	-53.58	257.41	3.11	-50.47
O=C(C1=C(Cl)SC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640565	1	27	-1.0	-53.61	257.47	3.12	-50.49
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CS1	REAL250004640566	0	34	-1.0	-50.27	296.84	5.01	-45.26
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CS1	REAL250004640566	1	34	-1.0	-50.27	296.90	5.04	-45.23
CC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640567	0	31	-1.0	-52.47	259.47	1.52	-50.95
CC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640567	1	31	-1.0	-52.46	259.53	1.55	-50.91
CN1C=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640568	0	35	-1.0	-57.64	297.51	1.94	-55.70
CN1C=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640568	1	35	-1.0	-57.65	297.56	1.96	-55.69
CCOCCOCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640569	0	43	-1.0	-58.15	351.72	2.72	-55.43
CCOCCOCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640569	1	43	-1.0	-58.16	351.78	2.74	-55.42
CSC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004640570	0	34	-1.0	-50.14	295.81	3.69	-46.45
CSC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004640570	1	34	-1.0	-50.15	295.87	3.70	-46.45
O=C(C1=CC(Cl)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640571	0	26	-1.0	-44.09	247.58	1.73	-42.36
O=C(C1=CC(Cl)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640571	1	26	-1.0	-44.06	247.52	1.70	-42.36
O=C([C@H]1COC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640572	0	29	-1.0	-57.55	250.42	-1.82	-59.37
O=C([C@H]1COC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640572	1	29	-1.0	-57.52	250.47	-1.79	-59.31
CN1C(=O)NCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640573	0	33	-1.0	-59.05	275.28	-0.61	-59.66
CN1C(=O)NCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640573	1	33	-1.0	-59.04	275.34	-0.59	-59.63
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640574	0	37	-1.0	-45.41	287.96	3.22	-42.19
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640574	1	37	-1.0	-45.40	288.02	3.24	-42.16
O=C(CC1=CC(C2CC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640575	0	36	-1.0	-55.03	306.35	4.34	-50.69
O=C(CC1=CC(C2CC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640575	1	36	-1.0	-55.03	306.41	4.37	-50.66
CC1=NOC(C2(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CC2)=C1	REAL250004640576	0	36	-1.0	-50.98	305.53	3.99	-46.99
CC1=NOC(C2(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CC2)=C1	REAL250004640576	1	36	-1.0	-50.99	305.58	4.00	-46.99
CC1CN(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640578	0	39	-1.0	-53.58	300.17	1.03	-52.55
CC1CN(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640578	1	39	-1.0	-53.59	300.23	1.04	-52.55
CN1C=NC2=CN=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C21	REAL250004640579	0	35	-1.0	-51.36	290.36	2.98	-48.38
CN1C=NC2=CN=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C21	REAL250004640579	1	35	-1.0	-51.36	290.42	2.99	-48.37
O=C(C=CCN1C=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640581	0	33	-1.0	-59.07	288.69	4.71	-54.36
O=C(C=CCN1C=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640581	1	33	-1.0	-59.04	288.63	4.69	-54.35
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640582	0	34	-1.0	-60.42	287.54	3.58	-56.84
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640582	1	34	-1.0	-60.41	287.60	3.61	-56.80
CC1=CC=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640583	0	33	-1.0	-59.63	281.24	2.54	-57.09
CC1=CC=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640583	1	33	-1.0	-59.62	281.30	2.57	-57.05
O=C(C=CC=C(Cl)Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640584	0	28	-1.0	-52.12	274.97	3.89	-48.23
O=C(C=CC=C(Cl)Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640584	1	28	-1.0	-52.12	275.03	3.90	-48.22
CC1=C(CO)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640585	0	34	-1.0	-57.92	289.42	0.21	-57.71
CC1=C(CO)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640585	1	34	-1.0	-57.94	289.47	0.24	-57.70
CN1CCCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004640586	0	40	-1.0	-64.67	307.87	2.89	-61.78
CN1CCCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004640586	1	40	-1.0	-64.66	307.92	2.91	-61.75
CN1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004640588	0	32	-1.0	-62.61	274.19	3.06	-59.55
CN1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL250004640588	1	32	-1.0	-62.63	274.13	3.03	-59.60
O=C(CC=CCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640589	0	40	-1.0	-54.07	334.84	6.88	-47.19
O=C(CC=CCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640589	1	40	-1.0	-54.08	334.89	6.90	-47.18
CN1CCOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004640590	0	35	-1.0	-56.49	284.51	1.00	-55.49
CN1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004640590	1	35	-1.0	-56.51	284.57	1.02	-55.49
O=C(CC1CCCS1(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640591	0	36	-1.0	-67.74	300.61	0.50	-67.24
O=C(CC1CCCS1(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640591	1	36	-1.0	-67.76	300.67	0.53	-67.23
CC1=C(C)NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640593	0	33	-1.0	-51.97	276.35	2.25	-49.72
CC1=C(C)NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640593	1	33	-1.0	-51.96	276.41	2.27	-49.69
CC1=NN=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640594	0	34	-1.0	-52.15	292.75	-1.60	-53.75
CC1=NN=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640594	1	34	-1.0	-52.14	292.81	-1.58	-53.72
O=C(C1=NN=C(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640595	0	32	-1.0	-50.18	278.90	-0.77	-50.95
O=C(C1=NN=C(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640595	1	32	-1.0	-50.18	278.96	-0.74	-50.92
O=C(C1=CC=CN2N=NN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640596	0	31	-1.0	-59.70	276.36	2.04	-57.66
O=C(C1=CC=CN2N=NN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640596	1	31	-1.0	-59.71	276.30	2.02	-57.69
O=C(C1=CC(F)=CNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640597	0	30	-1.0	-56.69	255.51	0.22	-56.47
O=C(C1=CC(F)=CNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640597	1	30	-1.0	-56.68	255.58	0.21	-56.47
C#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640598	0	32	-1.0	-42.75	272.27	4.25	-38.50
C#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640598	1	32	-1.0	-42.83	272.33	4.25	-38.58
N#CC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOC1	REAL250004640599	0	32	-1.0	-43.73	266.40	0.65	-43.08
N#CC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOC1	REAL250004640599	1	32	-1.0	-43.70	266.46	0.68	-43.02
O=CC1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640600	0	32	-1.0	-56.20	280.23	3.34	-52.86
O=CC1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640600	1	32	-1.0	-56.18	280.29	3.36	-52.82
O=CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640601	0	35	-1.0	-54.38	302.52	4.40	-49.98
O=CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640601	1	35	-1.0	-54.35	302.58	4.42	-49.93
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CN=CC=N1	REAL250004640602	0	34	-1.0	-57.13	280.22	1.12	-56.01
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CN=CC=N1	REAL250004640602	1	34	-1.0	-57.11	280.28	1.14	-55.97
O=C(CC(F)(F)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640603	0	29	-1.0	-52.45	269.17	2.99	-49.46
O=C(CC(F)(F)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640603	1	29	-1.0	-52.47	269.22	3.02	-49.45
O=CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL250004640604	0	32	-1.0	-56.80	279.49	3.33	-53.47
O=CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL250004640604	1	32	-1.0	-56.84	279.55	3.35	-53.49
O=C(C1=CSN=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640605	0	26	-1.0	-51.44	251.73	1.73	-49.71
O=C(C1=CSN=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640605	1	26	-1.0	-51.45	251.67	1.72	-49.73
O=C(CCOC1COC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640606	0	35	-1.0	-50.17	292.64	0.29	-49.88
O=C(CCOC1COC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640606	1	35	-1.0	-50.14	292.69	0.32	-49.82
O=C(C1=CSC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640607	0	27	-1.0	-54.13	257.63	3.07	-51.06
O=C(C1=CSC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640607	1	27	-1.0	-54.11	257.68	3.08	-51.03
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640608	0	41	-1.0	-54.75	323.42	3.89	-50.86
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640608	1	41	-1.0	-54.76	323.48	3.91	-50.85
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)(C)C	REAL250004640609	0	44	-1.0	-51.65	318.93	5.01	-46.64
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)(C)C	REAL250004640609	1	44	-1.0	-51.66	318.98	5.04	-46.62
CCC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640610	0	36	-1.0	-50.26	294.91	5.07	-45.19
CCC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640610	1	36	-1.0	-50.26	294.97	5.09	-45.17
COCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CS1	REAL250004640611	0	34	-1.0	-55.72	294.90	2.35	-53.37
COCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CS1	REAL250004640611	1	34	-1.0	-55.72	294.96	2.36	-53.36
CN1C=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL250004640612	0	37	-1.0	-46.67	297.99	4.75	-41.92
CN1C=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL250004640612	1	37	-1.0	-46.68	297.93	4.77	-41.91
O=C(CC1CCC(F)(F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640613	0	39	-1.0	-50.11	310.22	5.07	-45.04
O=C(CC1CCC(F)(F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640613	1	39	-1.0	-50.13	310.28	5.09	-45.04
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640614	0	40	-1.0	-53.16	327.67	6.64	-46.52
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640614	1	40	-1.0	-53.20	327.73	6.67	-46.53
O=C(C1=CC=C(C(F)F)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640615	0	30	-1.0	-49.69	270.95	3.14	-46.55
O=C(C1=CC=C(C(F)F)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640615	1	30	-1.0	-49.73	271.01	3.17	-46.56
O=C(C1=C(C(F)F)N=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640616	0	29	-1.0	-56.24	260.29	-0.40	-56.64
O=C(C1=C(C(F)F)N=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640616	1	29	-1.0	-56.23	260.35	-0.38	-56.61
O=C(C1=CC=CC(C#CCO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640617	0	36	-1.0	-56.47	311.24	2.36	-54.11
O=C(C1=CC=CC(C#CCO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640617	1	36	-1.0	-56.49	311.30	2.38	-54.11
O=C(C1=CC(=O)N=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640618	0	29	-1.0	-53.46	245.61	-0.79	-54.25
O=C(C1=CC(=O)N=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640618	1	29	-1.0	-53.50	245.65	-0.80	-54.30
O=C(CN1CCOC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640619	0	32	-1.0	-57.88	274.50	1.46	-56.42
O=C(CN1CCOC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640619	1	32	-1.0	-57.88	274.56	1.49	-56.39
O=C(CCCN1C=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640620	0	35	-1.0	-61.31	297.96	4.91	-56.40
O=C(CCCN1C=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640620	1	35	-1.0	-61.28	297.91	4.88	-56.40
CC1=C(C=O)C(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004640621	0	36	-1.0	-61.90	295.63	2.91	-58.99
CC1=C(C=O)C(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004640621	1	36	-1.0	-61.88	295.69	2.92	-58.96
O=C(CN1CCNC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640622	0	36	-1.0	-52.57	286.43	-2.34	-54.91
O=C(CN1CCNC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640622	1	36	-1.0	-52.59	286.49	-2.32	-54.91
CCCC=CC(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640623	0	37	-1.0	-51.83	304.01	2.29	-49.54
CCCC=CC(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640623	1	37	-1.0	-51.76	304.07	2.31	-49.45
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=NN1	REAL250004640624	0	30	-1.0	-49.25	277.49	1.32	-47.93
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=NN1	REAL250004640624	1	30	-1.0	-49.19	277.55	1.34	-47.85
CC1=NC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640625	0	32	-1.0	-56.73	276.66	0.27	-56.46
CC1=NC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640625	1	32	-1.0	-56.77	276.72	0.29	-56.48
CC1=NC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640626	0	33	-1.0	-53.11	295.48	3.13	-49.98
CC1=NC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640626	1	33	-1.0	-53.11	295.54	3.15	-49.96
O=C(C1=CC=NC2=CC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640627	0	32	-1.0	-54.49	281.45	2.61	-51.88
O=C(C1=CC=NC2=CC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640627	1	32	-1.0	-54.51	281.40	2.60	-51.91
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640628	0	29	-1.0	-54.08	266.12	2.32	-51.76
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640628	1	29	-1.0	-54.12	266.18	2.35	-51.77
O=C(C1=NC=CN=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640630	0	28	-1.0	-55.47	256.04	1.34	-54.13
O=C(C1=NC=CN=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640630	1	28	-1.0	-55.45	255.98	1.32	-54.13
O=C(C1=NC2=CC=NN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640631	0	32	-1.0	-50.48	276.01	3.43	-47.05
O=C(C1=NC2=CC=NN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640631	1	32	-1.0	-50.45	275.95	3.41	-47.04
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N(C)C1=O	REAL250004640632	0	34	-1.0	-56.93	282.31	2.34	-54.59
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N(C)C1=O	REAL250004640632	1	34	-1.0	-56.95	282.37	2.35	-54.60
CC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1C	REAL250004640633	0	33	-1.0	-52.43	270.70	2.57	-49.86
CC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1C	REAL250004640633	1	33	-1.0	-52.46	270.75	2.58	-49.88
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640634	0	31	-1.0	-65.86	265.76	-0.95	-66.81
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640634	1	31	-1.0	-65.75	265.78	-0.93	-66.68
O=CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640636	0	36	-1.0	-58.11	311.41	4.88	-53.23
O=CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640636	1	36	-1.0	-58.07	311.47	4.90	-53.17
O=C(C1=CN2CCOCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640642	0	35	-1.0	-55.59	289.76	2.21	-53.38
O=C(C1=CN2CCOCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640642	1	35	-1.0	-55.59	289.81	2.24	-53.35
O=C(C1=NC(C2CC2)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640643	0	33	-1.0	-58.02	287.47	2.62	-55.40
O=C(C1=NC(C2CC2)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640643	1	33	-1.0	-58.04	287.53	2.64	-55.40
CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640644	0	37	-1.0	-60.63	298.90	2.32	-58.31
CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640644	1	37	-1.0	-60.62	298.96	2.34	-58.28
CN(C)C(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640645	0	36	-1.0	-50.75	297.03	1.94	-48.81
CN(C)C(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640645	1	36	-1.0	-50.75	297.09	1.97	-48.78
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640646	0	34	-1.0	-51.44	290.70	4.23	-47.21
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640646	1	34	-1.0	-51.47	290.75	4.26	-47.21
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640647	0	35	-1.0	-72.88	289.84	-0.22	-73.10
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640647	1	35	-1.0	-72.87	289.90	-0.20	-73.07
O=C(C1=CN(C2CC2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640648	0	34	-1.0	-55.66	286.39	5.07	-50.59
O=C(C1=CN(C2CC2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640648	1	34	-1.0	-55.69	286.34	5.05	-50.64
CCC(NC(C)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640649	0	36	-1.0	-47.83	286.89	0.48	-47.35
CCC(NC(C)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640649	1	36	-1.0	-47.81	286.94	0.51	-47.30
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1F	REAL250004640650	0	33	-1.0	-40.01	275.49	3.81	-36.20
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1F	REAL250004640650	1	33	-1.0	-40.06	275.56	3.81	-36.25
O=C([C@H]1CCC(=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640651	0	30	-1.0	-63.68	253.70	2.87	-60.81
O=C([C@H]1CCC(=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640651	1	30	-1.0	-63.70	253.76	2.90	-60.80
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640652	0	37	-1.0	-52.03	301.96	2.61	-49.42
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640652	1	37	-1.0	-52.08	302.02	2.62	-49.46
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C2C=C1	REAL250004640653	0	36	-1.0	-56.36	303.44	5.58	-50.78
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C2C=C1	REAL250004640653	1	36	-1.0	-56.34	303.38	5.56	-50.78
CN1C(=O)OCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640654	0	32	-1.0	-55.83	266.21	0.79	-55.04
CN1C(=O)OCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640654	1	32	-1.0	-55.85	266.27	0.81	-55.04
O=C(C1=NC=C2C=CC=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640655	0	33	-1.0	-57.98	278.96	4.95	-53.03
O=C(C1=NC=C2C=CC=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640655	1	33	-1.0	-57.96	278.90	4.93	-53.03
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640656	0	33	-1.0	-52.86	280.19	3.93	-48.93
CC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640656	1	33	-1.0	-52.84	280.25	3.96	-48.88
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL250004640658	0	36	-1.0	-59.58	303.24	4.18	-55.40
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL250004640658	1	36	-1.0	-59.57	303.18	4.15	-55.42
CC1OC(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1C	REAL250004640659	0	40	-1.0	-54.67	313.57	3.01	-51.66
CC1OC(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1C	REAL250004640659	1	40	-1.0	-54.68	313.63	3.02	-51.66
CN1C(=O)CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004640660	0	35	-1.0	-56.00	301.93	1.59	-54.41
CN1C(=O)CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004640660	1	35	-1.0	-55.96	301.98	1.61	-54.35
O=C(C1=COC(C(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640661	0	30	-1.0	-56.34	268.35	2.80	-53.54
O=C(C1=COC(C(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640661	1	30	-1.0	-56.29	268.41	2.83	-53.46
O=C(C1CC(C2CC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640662	0	37	-1.0	-54.17	298.72	5.13	-49.04
O=C(C1CC(C2CC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640662	1	37	-1.0	-54.16	298.78	5.16	-49.00
CSCCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640663	0	42	-1.0	-52.33	349.97	6.03	-46.30
CSCCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640663	1	42	-1.0	-52.34	350.03	6.06	-46.28
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640664	0	34	-1.0	-51.99	296.99	4.93	-47.06
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640664	1	34	-1.0	-51.99	297.05	4.95	-47.04
O=C(CC1C(=O)N=CNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640665	0	33	-1.0	-68.63	282.05	0.73	-67.90
O=C(CC1C(=O)N=CNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640665	1	33	-1.0	-68.61	282.10	0.76	-67.85
CC(=C(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004640666	0	34	-1.0	-47.71	277.80	4.33	-43.38
CC(=C(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004640666	1	34	-1.0	-47.73	277.85	4.36	-43.37
O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640667	0	31	-1.0	-57.14	260.59	-0.49	-57.63
O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640667	1	31	-1.0	-57.11	260.65	-0.46	-57.57
CC1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1C1CC1	REAL250004640669	0	37	-1.0	-53.42	302.09	5.25	-48.17
CC1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1C1CC1	REAL250004640669	1	37	-1.0	-53.46	302.15	5.28	-48.18
O=C(C1CCCC12CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640670	0	37	-1.0	-53.79	288.91	4.87	-48.92
O=C(C1CCCC12CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640670	1	37	-1.0	-53.80	288.96	4.89	-48.91
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004640671	0	36	-1.0	-50.47	294.03	1.76	-48.71
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004640671	1	36	-1.0	-50.47	294.09	1.78	-48.69
O=C(CC1CC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640672	0	38	-1.0	-57.76	314.19	4.80	-52.96
O=C(CC1CC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640672	1	38	-1.0	-57.77	314.25	4.83	-52.94
COCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640673	0	37	-1.0	-52.71	309.50	1.27	-51.44
COCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640673	1	37	-1.0	-52.67	309.44	1.26	-51.41
CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640674	0	37	-1.0	-69.71	299.20	2.32	-67.39
CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640674	1	37	-1.0	-69.72	299.26	2.35	-67.37
O=C(CC1(C2=CC=CC=C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640675	0	40	-1.0	-53.32	322.52	6.43	-46.89
O=C(CC1(C2=CC=CC=C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640675	1	40	-1.0	-53.34	322.58	6.45	-46.89
COC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640676	0	33	-1.0	-60.01	276.06	3.32	-56.69
COC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640676	1	33	-1.0	-60.02	276.00	3.30	-56.72
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)O1	REAL250004640677	0	37	-1.0	-55.30	287.89	2.56	-52.74
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)O1	REAL250004640677	1	37	-1.0	-55.30	287.95	2.59	-52.71
O=C(C1CC2CC1C1CC12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640678	0	38	-1.0	-57.51	287.85	4.96	-52.55
O=C(C1CC2CC1C1CC12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640678	1	38	-1.0	-57.48	287.90	4.99	-52.49
CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=N1	REAL250004640679	0	36	-1.0	-55.82	294.64	2.84	-52.98
CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=N1	REAL250004640679	1	36	-1.0	-55.81	294.70	2.85	-52.96
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640680	0	33	-1.0	-53.02	295.13	3.21	-49.81
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640680	1	33	-1.0	-53.01	295.08	3.18	-49.83
O=C(C1=CC2=NC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640681	0	35	-1.0	-56.24	292.90	3.95	-52.29
O=C(C1=CC2=NC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640681	1	35	-1.0	-56.23	292.84	3.93	-52.30
O=C(C1=CN=CC(C(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640682	0	32	-1.0	-52.97	277.91	2.64	-50.33
O=C(C1=CN=CC(C(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640682	1	32	-1.0	-52.97	277.85	2.61	-50.36
O=C(C1=C2N=CC=CN2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640683	0	32	-1.0	-70.98	276.63	4.90	-66.08
O=C(C1=C2N=CC=CN2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640683	1	32	-1.0	-70.96	276.57	4.87	-66.09
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004640684	0	37	-1.0	-54.55	311.68	5.28	-49.27
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004640684	1	37	-1.0	-54.52	311.74	5.30	-49.22
CCOC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCOC1	REAL250004640685	0	41	-1.0	-51.97	317.47	1.83	-50.14
CCOC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCOC1	REAL250004640685	1	41	-1.0	-51.97	317.52	1.84	-50.13
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C(C)(C)C	REAL250004640686	0	44	-1.0	-53.29	311.78	4.82	-48.47
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C(C)(C)C	REAL250004640686	1	44	-1.0	-53.25	311.83	4.82	-48.43
O=C(C=CCCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640687	0	40	-1.0	-52.86	334.38	6.82	-46.04
O=C(C=CCCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640687	1	40	-1.0	-52.85	334.44	6.85	-46.00
COC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL250004640688	0	33	-1.0	-56.90	282.63	2.13	-54.77
COC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL250004640688	1	33	-1.0	-56.92	282.57	2.10	-54.82
CC1=NN(CC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640689	0	39	-1.0	-52.67	318.09	3.71	-48.96
CC1=NN(CC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640689	1	39	-1.0	-52.67	318.15	3.72	-48.95
CC1=CN=C(F)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640690	0	32	-1.0	-57.48	273.41	2.40	-55.08
CC1=CN=C(F)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640690	1	32	-1.0	-57.52	273.36	2.38	-55.14
CC1=CC(F)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640691	0	32	-1.0	-47.31	272.16	2.36	-44.95
CC1=CC(F)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640691	1	32	-1.0	-47.29	272.22	2.38	-44.91
COC1=NSC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640692	0	30	-1.0	-54.99	268.77	0.13	-54.86
COC1=NSC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640692	1	30	-1.0	-54.98	268.71	0.11	-54.87
O=C(C=CC1=CC=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640693	0	35	-1.0	-55.56	299.25	2.31	-53.25
O=C(C=CC1=CC=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640693	1	35	-1.0	-55.58	299.31	2.33	-53.25
CCOC1CC2(CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640694	0	41	-1.0	-56.84	332.38	4.31	-52.53
CCOC1CC2(CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640694	1	41	-1.0	-56.85	332.44	4.34	-52.51
N#CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004640695	0	28	-1.0	-48.97	253.48	2.12	-46.85
N#CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004640695	1	28	-1.0	-49.00	253.54	2.14	-46.86
O=C(C1=CN(C(F)F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640696	0	30	-1.0	-52.44	266.88	1.49	-50.95
O=C(C1=CN(C(F)F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640696	1	30	-1.0	-52.47	266.83	1.47	-51.00
CCCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640697	0	36	-1.0	-53.01	306.33	4.83	-48.18
CCCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640697	1	36	-1.0	-52.96	306.39	4.86	-48.10
CCOCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640698	0	42	-1.0	-54.22	339.27	4.05	-50.17
CCOCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640698	1	42	-1.0	-54.22	339.32	4.08	-50.14
O=C(C1=NC=C2CCCCN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640699	0	37	-1.0	-53.46	295.81	4.52	-48.94
O=C(C1=NC=C2CCCCN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640699	1	37	-1.0	-53.45	295.75	4.50	-48.95
NC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640700	0	31	-1.0	-52.20	258.89	0.98	-51.22
NC1=CC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640700	1	31	-1.0	-52.22	258.83	0.95	-51.27
O=C(C1CCC12CCOCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640701	0	41	-1.0	-51.44	302.62	3.11	-48.33
O=C(C1CCC12CCOCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640701	1	41	-1.0	-51.47	302.68	3.14	-48.33
O=C(C1=CN2C=CN=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640702	0	32	-1.0	-47.62	266.04	4.00	-43.62
O=C(C1=CN2C=CN=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640702	1	32	-1.0	-47.56	265.96	4.00	-43.56
CCOC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCC1	REAL250004640703	0	43	-1.0	-56.83	332.44	5.20	-51.63
CCOC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCC1	REAL250004640703	1	43	-1.0	-56.82	332.50	5.21	-51.61
CC1CC1C1CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640704	0	37	-1.0	-53.25	301.28	5.25	-48.00
CC1CC1C1CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640704	1	37	-1.0	-53.26	301.33	5.28	-47.98
CCN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004640705	0	36	-1.0	-52.48	293.13	2.75	-49.73
CCN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004640705	1	36	-1.0	-52.48	293.19	2.77	-49.71
CN1CCCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640707	1	38	-1.0	-52.73	290.37	1.63	-51.10
CN1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640707	1	38	-1.0	-52.73	290.43	1.65	-51.08
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(Cl)CC2CCC1O2	REAL250004640708	0	35	-1.0	-52.44	284.11	2.21	-50.23
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(Cl)CC2CCC1O2	REAL250004640708	1	35	-1.0	-52.44	284.17	2.23	-50.21
O=C(C1CC2(CSC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640710	0	35	-1.0	-52.80	294.35	4.41	-48.39
O=C(C1CC2(CSC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640710	1	35	-1.0	-52.81	294.41	4.43	-48.38
O=C(C1=CN(CC2CC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640711	0	37	-1.0	-53.36	307.11	3.79	-49.57
O=C(C1=CN(CC2CC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640711	1	37	-1.0	-53.37	307.06	3.77	-49.60
O=C(C1=C2N=CNC2=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640712	0	31	-1.0	-61.26	268.93	3.36	-57.90
O=C(C1=C2N=CNC2=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640712	1	31	-1.0	-61.28	268.87	3.34	-57.94
CC1(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640713	0	35	-1.0	-58.56	294.39	-0.90	-59.46
CC1(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640713	1	35	-1.0	-58.58	294.45	-0.87	-59.45
C=CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004640714	0	37	-1.0	-52.25	304.08	5.50	-46.75
C=CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004640714	1	37	-1.0	-52.27	304.13	5.52	-46.75
O=C(C1CCCN2N=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640715	0	36	-1.0	-58.25	294.62	3.71	-54.54
O=C(C1CCCN2N=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640715	1	36	-1.0	-58.27	294.68	3.73	-54.54
CN(C)C(=O)C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640716	0	34	-1.0	-50.78	286.75	1.73	-49.05
CN(C)C(=O)C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640716	1	34	-1.0	-50.74	286.81	1.76	-48.98
O=C(C1=CC=CN2N=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640717	0	32	-1.0	-58.55	281.62	4.35	-54.20
O=C(C1=CC=CN2N=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640717	1	32	-1.0	-58.51	281.56	4.34	-54.17
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640718	0	38	-1.0	-58.62	290.60	3.59	-55.03
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640718	1	38	-1.0	-58.62	290.65	3.61	-55.01
CSC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640719	0	32	-1.0	-55.36	281.83	2.14	-53.22
CSC1=NC=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640719	1	32	-1.0	-55.39	281.78	2.12	-53.27
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640720	0	34	-1.0	-55.66	283.50	1.55	-54.11
CNC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640720	1	34	-1.0	-55.65	283.44	1.52	-54.13
CN1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004640721	0	37	-1.0	-71.52	299.30	3.65	-67.87
CN1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004640721	1	37	-1.0	-71.52	299.36	3.68	-67.84
CC1=CC(C)=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640722	0	36	-1.0	-52.42	309.74	5.14	-47.28
CC1=CC(C)=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640722	1	36	-1.0	-52.41	309.80	5.16	-47.25
O=C(CC1=CC=C(F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640723	0	32	-1.0	-54.80	279.11	3.13	-51.67
O=C(CC1=CC=C(F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640723	1	32	-1.0	-54.78	279.17	3.16	-51.62
CC1=CN=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640724	0	32	-1.0	-54.08	281.92	2.88	-51.20
CC1=CN=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640724	1	32	-1.0	-54.06	281.86	2.85	-51.21
O=C(C=CC1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640725	0	34	-1.0	-57.97	293.79	5.18	-52.79
O=C(C=CC1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640725	1	34	-1.0	-58.01	293.85	5.20	-52.81
O=C(C=CC1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640726	0	34	-1.0	-52.25	294.65	5.23	-47.02
O=C(C=CC1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640726	1	34	-1.0	-52.28	294.71	5.25	-47.03
NC1=CC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640727	0	32	-1.0	-47.51	281.41	2.27	-45.24
NC1=CC(Cl)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640727	1	32	-1.0	-47.54	281.47	2.28	-45.26
NC1=CC(F)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640728	0	32	-1.0	-47.46	271.09	1.82	-45.64
NC1=CC(F)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640728	1	32	-1.0	-47.50	271.15	1.83	-45.67
[N-]=[N+]=NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640729	0	32	-1.0	-38.63	273.05	0.78	-37.85
[N-]=[N+]=NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640729	1	32	-1.0	-38.61	273.12	0.79	-37.82
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640730	0	32	-1.0	-55.45	278.64	1.47	-53.98
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640730	1	32	-1.0	-55.41	278.70	1.49	-53.92
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004640731	0	35	-1.0	-54.19	302.22	0.83	-53.36
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004640731	1	35	-1.0	-54.22	302.28	0.86	-53.36
O=C(C1=CC=CN2N=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640732	0	33	-1.0	-54.34	286.94	3.65	-50.69
O=C(C1=CC=CN2N=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640732	1	33	-1.0	-54.29	286.88	3.64	-50.65
O=C(CO)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640733	0	34	-1.0	-67.15	290.79	-2.11	-69.26
O=C(CO)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640733	1	34	-1.0	-67.19	290.85	-2.08	-69.27
O=C(CNC(=O)N1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640734	0	39	-1.0	-50.89	317.61	1.34	-49.55
O=C(CNC(=O)N1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640734	1	39	-1.0	-50.91	317.67	1.36	-49.55
O=C(CC1CCNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640735	0	34	-1.0	-69.72	277.67	1.34	-68.38
O=C(CC1CCNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640735	1	34	-1.0	-69.75	277.73	1.36	-68.39
O=C(C1=COC2=CC(O)=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640736	0	34	-1.0	-55.23	292.72	1.23	-54.00
O=C(C1=COC2=CC(O)=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640736	1	34	-1.0	-55.21	292.66	1.21	-54.00
O=C(C1=CN=C2C=CNC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640737	0	33	-1.0	-58.13	276.60	1.69	-56.44
O=C(C1=CN=C2C=CNC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640737	1	33	-1.0	-58.12	276.55	1.66	-56.46
COC1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL250004640738	0	34	-1.0	-59.08	286.32	1.92	-57.16
COC1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004640738	1	34	-1.0	-59.15	286.37	1.93	-57.22
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004640739	0	37	-1.0	-53.78	301.86	2.02	-51.76
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004640739	1	37	-1.0	-53.81	301.91	2.05	-51.76
NC1=NN=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640740	0	30	-1.0	-60.01	274.69	-0.08	-60.09
NC1=NN=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640740	1	30	-1.0	-59.99	274.74	-0.06	-60.05
NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004640741	0	31	-1.0	-52.48	260.83	0.53	-51.95
NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004640741	1	31	-1.0	-52.51	260.89	0.56	-51.95
CCCC(CC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640742	0	38	-1.0	-51.81	298.48	4.27	-47.54
CCCC(CC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640742	1	38	-1.0	-51.80	298.54	4.28	-47.52
O=C(C1C2(CC2)C12CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640743	0	35	-1.0	-53.47	294.66	5.38	-48.09
O=C(C1C2(CC2)C12CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640743	1	35	-1.0	-53.48	294.72	5.41	-48.07
O=C(C1=C(C(F)F)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640744	0	30	-1.0	-51.55	269.77	3.50	-48.05
O=C(C1=C(C(F)F)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640744	1	30	-1.0	-51.60	269.83	3.52	-48.08
CCOC(=O)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004640745	0	41	-1.0	-52.93	329.37	4.39	-48.54
CCOC(=O)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004640745	1	41	-1.0	-52.92	329.43	4.41	-48.51
CC1(C)CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC1	REAL250004640746	0	43	-1.0	-56.47	330.16	4.68	-51.79
CC1(C)CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC1	REAL250004640746	1	43	-1.0	-56.53	330.22	4.71	-51.82
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(F)F	REAL250004640747	0	38	-1.0	-50.18	296.99	4.29	-45.89
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(F)F	REAL250004640747	1	38	-1.0	-50.20	297.05	4.32	-45.88
O=C(C1CCC=CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640748	0	37	-1.0	-53.07	282.05	4.32	-48.75
O=C(C1CCC=CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640748	1	37	-1.0	-53.06	282.11	4.35	-48.71
CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004640749	0	37	-1.0	-56.50	296.94	4.65	-51.85
CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004640749	1	37	-1.0	-56.55	296.99	4.66	-51.89
O=C(CN1N=CC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640750	0	35	-1.0	-62.66	302.87	3.46	-59.20
O=C(CN1N=CC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640750	1	35	-1.0	-62.66	302.81	3.43	-59.23
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640751	0	40	-1.0	-56.75	311.40	2.95	-53.80
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640751	1	40	-1.0	-56.78	311.46	2.97	-53.81
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640752	0	36	-1.0	-60.91	291.27	3.57	-57.34
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640752	1	36	-1.0	-60.88	291.33	3.60	-57.28
O=C(C=CC1=CSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640753	0	31	-1.0	-53.26	278.23	4.11	-49.15
O=C(C=CC1=CSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640753	1	31	-1.0	-53.21	278.29	4.14	-49.07
O=C(CC1=CC=C(Cl)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640754	0	32	-1.0	-54.34	289.45	3.55	-50.79
O=C(CC1=CC=C(Cl)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640754	1	32	-1.0	-54.34	289.51	3.57	-50.77
CCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640755	0	36	-1.0	-50.89	293.09	2.72	-48.17
CCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640755	1	36	-1.0	-50.92	293.14	2.73	-48.19
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004640756	0	38	-1.0	-50.72	314.36	2.00	-48.72
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004640756	1	38	-1.0	-50.73	314.31	1.97	-48.76
NC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640757	0	31	-1.0	-54.85	263.62	0.63	-54.22
NC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640757	1	31	-1.0	-54.87	263.68	0.65	-54.22
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640758	0	37	-1.0	-53.07	303.74	5.49	-47.58
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640758	1	37	-1.0	-53.06	303.79	5.52	-47.54
CC1(C)COC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640759	0	43	-1.0	-50.65	337.78	3.90	-46.75
CC1(C)COC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640759	1	43	-1.0	-50.62	337.84	3.93	-46.69
CC(C)(C)C12CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)(C1)C2	REAL250004640760	0	43	-1.0	-53.23	336.63	5.88	-47.35
CC(C)(C)C12CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)(C1)C2	REAL250004640760	1	43	-1.0	-53.21	336.69	5.90	-47.31
O=C(C1=CN2CCCCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640761	0	37	-1.0	-56.50	298.85	4.58	-51.92
O=C(C1=CN2CCCCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640761	1	37	-1.0	-56.50	298.91	4.60	-51.90
O=C(COC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640762	0	33	-1.0	-56.56	285.72	2.05	-54.51
O=C(COC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640762	1	33	-1.0	-56.54	285.66	2.02	-54.52
O=C(C1=CC=CC2=C1OCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640763	0	35	-1.0	-61.05	287.36	3.55	-57.50
O=C(C1=CC=CC2=C1OCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640763	1	35	-1.0	-61.07	287.41	3.58	-57.49
O=C(C1=CC(=O)C=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640764	0	30	-1.0	-51.61	250.02	0.69	-50.92
O=C(C1=CC(=O)C=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640764	1	30	-1.0	-51.58	250.08	0.69	-50.89
O=C(C1=CN=C(F)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640765	0	29	-1.0	-46.41	268.21	2.23	-44.18
O=C(C1=CN=C(F)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640765	1	29	-1.0	-46.40	268.15	2.20	-44.20
CN1N=C(C2CC2)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640766	0	37	-1.0	-50.20	302.34	3.49	-46.71
CN1N=C(C2CC2)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640766	1	37	-1.0	-50.24	302.39	3.51	-46.73
O=C(C1=CSN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640767	0	26	-1.0	-50.62	235.69	1.30	-49.32
O=C(C1=CSN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640767	1	26	-1.0	-50.59	235.63	1.28	-49.31
CC1=CN(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640768	0	34	-1.0	-59.51	278.54	3.92	-55.59
CC1=CN(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640768	1	34	-1.0	-59.51	278.60	3.94	-55.57
COC1=NC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640769	0	32	-1.0	-50.05	275.79	-0.38	-50.43
COC1=NC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640769	1	32	-1.0	-50.02	275.74	-0.40	-50.42
O=C(C1=CN(C2CCC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640770	0	37	-1.0	-53.47	297.60	3.24	-50.23
O=C(C1=CN(C2CCC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640770	1	37	-1.0	-53.43	297.55	3.22	-50.21
O=C(C1=CC=C(F)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640771	0	27	-1.0	-46.93	242.30	2.15	-44.78
O=C(C1=CC=C(F)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640771	1	27	-1.0	-46.90	242.36	2.17	-44.73
O=C(C1=CC=NN1C1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640772	0	37	-1.0	-51.45	297.71	3.63	-47.82
O=C(C1=CC=NN1C1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640772	1	37	-1.0	-51.44	297.65	3.62	-47.82
O=C(C1=CC(C(F)F)=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640773	0	31	-1.0	-51.51	278.28	3.39	-48.12
O=C(C1=CC(C(F)F)=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640773	1	31	-1.0	-51.53	278.33	3.42	-48.11
CC1COC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640774	0	34	-1.0	-57.08	274.20	2.79	-54.29
CC1COC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640774	1	34	-1.0	-57.10	274.25	2.81	-54.29
O=C(C1CC2CCC(C1)S2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640775	0	38	-1.0	-59.65	256.18	4.39	-55.26
O=C(C1CC2CCC(C1)S2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640775	1	38	-1.0	-59.65	256.22	4.39	-55.26
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640776	0	38	-1.0	-54.11	301.13	3.33	-50.78
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640776	1	38	-1.0	-54.13	301.19	3.35	-50.78
O=C(C1=CSC=C1C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640777	0	30	-1.0	-60.48	272.32	3.49	-56.99
O=C(C1=CSC=C1C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640777	1	30	-1.0	-60.49	272.38	3.51	-56.98
O=C(CCC1=CC=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640778	0	37	-1.0	-51.89	311.74	2.61	-49.28
O=C(CCC1=CC=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640778	1	37	-1.0	-51.90	311.80	2.64	-49.26
O=C(C1=CC=CC(O)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640779	0	31	-1.0	-42.73	259.73	0.26	-42.47
O=C(C1=CC=CC(O)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640779	1	31	-1.0	-42.71	259.81	0.26	-42.45
CC1=CC(O)=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640780	0	37	-1.0	-52.96	307.04	2.30	-50.66
CC1=CC(O)=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640780	1	37	-1.0	-52.92	307.10	2.33	-50.59
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640781	0	36	-1.0	-57.50	288.25	4.31	-53.19
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640781	1	36	-1.0	-57.51	288.31	4.32	-53.19
CC1(C)OC[C@H](C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640782	0	39	-1.0	-54.42	321.87	2.63	-51.79
CC1(C)OC[C@H](C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640782	1	39	-1.0	-54.41	321.93	2.65	-51.76
O=C(C1=CS(=O)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640783	0	33	-1.0	-68.66	284.29	1.03	-67.63
O=C(C1=CS(=O)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640783	1	33	-1.0	-68.65	284.35	1.05	-67.60
CN1C(=O)CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640784	0	37	-1.0	-56.45	291.75	2.09	-54.36
CN1C(=O)CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640784	1	37	-1.0	-56.44	291.80	2.12	-54.32
CCN1CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640785	0	35	-1.0	-56.01	282.23	0.28	-55.73
CCN1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640785	1	35	-1.0	-55.99	282.29	0.31	-55.68
O=C(COC1=NSC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640786	0	30	-1.0	-54.32	275.49	1.08	-53.24
O=C(COC1=NSC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640786	1	30	-1.0	-54.32	275.44	1.05	-53.27
CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004640787	0	32	-1.0	-50.93	273.84	3.07	-47.86
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004640787	1	32	-1.0	-50.94	273.90	3.09	-47.85
CC(C)CN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640788	0	39	-1.0	-57.14	319.95	4.38	-52.76
CC(C)CN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640788	1	39	-1.0	-57.14	319.89	4.36	-52.78
O=C(CCCCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640789	0	42	-1.0	-52.39	343.62	7.04	-45.35
O=C(CCCCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640789	1	42	-1.0	-52.40	343.68	7.07	-45.33
CC1(C)COC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640790	0	40	-1.0	-55.41	316.00	3.78	-51.63
CC1(C)COC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640790	1	40	-1.0	-55.44	316.05	3.80	-51.64
O=C(CCN1CCC(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640791	1	38	-1.0	-51.95	306.38	1.80	-50.15
O=C(CCN1CCC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640791	1	38	-1.0	-51.99	306.43	1.82	-50.17
O=C(C1=CC=NC(CO)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640792	0	33	-1.0	-56.23	276.43	-0.78	-57.01
O=C(C1=CC=NC(CO)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640792	1	33	-1.0	-56.25	276.49	-0.76	-57.01
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1O	REAL250004640793	0	33	-1.0	-55.41	277.67	1.97	-53.44
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1O	REAL250004640793	1	33	-1.0	-55.42	277.73	1.99	-53.43
CN(C)CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640794	0	38	-1.0	-52.32	312.93	1.68	-50.64
CN(C)CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640794	1	38	-1.0	-52.32	312.99	1.70	-50.62
O=C(CCCCCO)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640798	0	36	-1.0	-55.33	295.16	0.67	-54.66
O=C(CCCCCO)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640798	1	36	-1.0	-55.32	295.22	0.70	-54.62
CCCCC(O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640799	0	42	-1.0	-50.72	336.38	2.32	-48.40
CCCCC(O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640799	1	42	-1.0	-50.76	336.43	2.34	-48.42
CC1=CN2N=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2N=C1	REAL250004640800	0	35	-1.0	-63.40	297.45	3.14	-60.26
CC1=CN2N=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2N=C1	REAL250004640800	1	35	-1.0	-63.39	297.39	3.13	-60.26
O=C(CC1CCC2(CCC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640801	0	41	-1.0	-60.47	323.42	4.71	-55.76
O=C(CC1CCC2(CCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640801	1	41	-1.0	-60.49	323.48	4.74	-55.75
C=C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640802	0	37	-1.0	-52.82	288.47	4.33	-48.49
C=C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640802	1	37	-1.0	-52.84	288.53	4.36	-48.48
O=C(C1CCOC2(CCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640803	0	41	-1.0	-54.56	312.82	3.43	-51.13
O=C(C1CCOC2(CCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640803	1	41	-1.0	-54.53	312.87	3.45	-51.08
O=C(C1CCC=CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640804	0	40	-1.0	-52.35	299.81	4.97	-47.38
O=C(C1CCC=CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640804	1	40	-1.0	-52.39	299.87	4.99	-47.40
CN1N=C2CCCC2=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640805	0	37	-1.0	-50.88	306.15	3.48	-47.40
CN1N=C2CCCC2=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640805	1	37	-1.0	-50.92	306.21	3.50	-47.42
O=C(C1=CC=NN1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640806	0	34	-1.0	-52.45	281.10	3.05	-49.40
O=C(C1=CC=NN1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640806	1	34	-1.0	-52.46	281.04	3.03	-49.43
CC1=CN=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640807	0	32	-1.0	-47.79	272.19	2.45	-45.34
CC1=CN=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640807	1	32	-1.0	-47.72	272.14	2.43	-45.29
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCO1	REAL250004640808	0	37	-1.0	-57.22	287.08	3.11	-54.11
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCO1	REAL250004640808	1	37	-1.0	-57.22	287.14	3.14	-54.08
O=C(C1CC2(C1)CC(F)(F)C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640809	0	37	-1.0	-50.85	307.22	4.96	-45.89
O=C(C1CC2(C1)CC(F)(F)C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640809	1	37	-1.0	-50.88	307.28	4.99	-45.89
NC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640810	0	30	-1.0	-58.94	265.95	0.38	-58.56
NC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640810	1	30	-1.0	-58.88	265.89	0.35	-58.53
CC1=NC(C)=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004640811	0	35	-1.0	-54.54	305.52	3.17	-51.37
CC1=NC(C)=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004640811	1	35	-1.0	-54.52	305.57	3.20	-51.32
O=C(COCC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640812	0	36	-1.0	-57.11	306.47	3.39	-53.72
O=C(COCC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640812	1	36	-1.0	-57.11	306.53	3.42	-53.69
O=C(C1=CC=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640813	0	26	-1.0	-49.73	236.90	1.23	-48.50
O=C(C1=CC=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640813	1	26	-1.0	-49.71	236.84	1.21	-48.50
CCN1C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640814	0	34	-1.0	-50.58	292.92	4.50	-46.08
CCN1C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640814	1	34	-1.0	-50.54	292.98	4.52	-46.02
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640815	0	39	-1.0	-63.09	312.32	4.53	-58.56
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640815	1	39	-1.0	-63.07	312.33	4.55	-58.52
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640816	0	33	-1.0	-63.30	282.90	3.10	-60.20
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640816	1	33	-1.0	-63.33	282.92	3.13	-60.20
O=C(CC(F)(F)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640817	0	29	-1.0	-60.28	263.42	2.89	-57.39
O=C(CC(F)(F)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640817	1	29	-1.0	-60.30	263.48	2.92	-57.38
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640818	0	37	-1.0	-64.59	294.98	0.01	-64.58
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640818	1	37	-1.0	-64.61	295.04	0.04	-64.57
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640819	0	37	-1.0	-52.61	289.80	4.50	-48.11
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640819	1	37	-1.0	-52.59	289.86	4.53	-48.06
C#CCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640820	0	29	-1.0	-55.80	269.53	3.56	-52.24
C#CCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640820	1	29	-1.0	-55.81	269.58	3.58	-52.23
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640821	0	40	-1.0	-54.73	327.58	6.80	-47.93
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640821	1	40	-1.0	-54.71	327.64	6.83	-47.88
CC(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640822	0	34	-1.0	-44.86	282.32	1.62	-43.24
CC(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640822	1	34	-1.0	-44.84	282.39	1.63	-43.21
O=C(C1C2CCC(=O)C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640823	0	33	-1.0	-51.65	275.65	3.36	-48.29
O=C(C1C2CCC(=O)C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640823	1	33	-1.0	-51.63	275.70	3.38	-48.25
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL250004640824	0	38	-1.0	-56.20	306.95	4.62	-51.58
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL250004640824	1	38	-1.0	-56.24	307.01	4.65	-51.59
CC1=NNC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C12	REAL250004640825	0	36	-1.0	-58.17	299.55	2.91	-55.26
CC1=NNC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C12	REAL250004640825	1	36	-1.0	-58.19	299.50	2.88	-55.31
CN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004640826	1	42	-1.0	-51.78	323.77	-0.58	-52.36
O=C(CC1=NN=C(C2CC2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640827	0	36	-1.0	-62.68	304.88	3.45	-59.23
O=C(CC1=NN=C(C2CC2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640827	1	36	-1.0	-62.67	304.94	3.47	-59.20
O=C(CN1N=NC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640828	0	35	-1.0	-57.83	302.63	2.74	-55.09
O=C(CN1N=NC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640828	1	35	-1.0	-57.84	302.58	2.71	-55.13
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004640829	0	37	-1.0	-50.34	310.74	4.93	-45.41
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004640829	1	37	-1.0	-50.35	310.80	4.94	-45.41
CCOC1C(C)C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640830	0	37	-1.0	-49.77	304.92	3.14	-46.63
CCOC1C(C)C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640830	1	37	-1.0	-49.74	304.98	3.17	-46.57
CCCCCC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640831	0	42	-1.0	-48.41	342.70	2.48	-45.93
CCCCCC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640831	1	42	-1.0	-48.39	342.76	2.50	-45.89
O=C(CCN1C=NN=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640832	0	31	-1.0	-52.34	270.21	1.85	-50.49
O=C(CCN1C=NN=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640832	1	31	-1.0	-52.32	270.16	1.82	-50.50
NC1=CC=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640833	0	32	-1.0	-54.23	274.68	0.85	-53.38
NC1=CC=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640833	1	32	-1.0	-54.23	274.62	0.82	-53.41
O=C(CC1(O)CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640834	0	38	-1.0	-55.66	297.93	0.52	-55.14
O=C(CC1(O)CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640834	1	38	-1.0	-55.65	297.99	0.54	-55.11
O=C(C1=CC=C2NC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640835	0	33	-1.0	-58.00	279.88	2.73	-55.27
O=C(C1=CC=C2NC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640835	1	33	-1.0	-57.93	279.83	2.71	-55.22
CN1C=NC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640836	0	34	-1.0	-57.89	292.67	4.59	-53.30
CN1C=NC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640836	1	34	-1.0	-57.88	292.73	4.62	-53.26
O=C(CC1CC=CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640837	0	37	-1.0	-53.60	291.09	4.86	-48.74
O=C(CC1CC=CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640837	1	37	-1.0	-53.56	291.15	4.88	-48.68
O=C(C1=C(C(F)F)SC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640838	0	30	-1.0	-51.32	272.49	3.57	-47.75
O=C(C1=C(C(F)F)SC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640838	1	30	-1.0	-51.32	272.54	3.59	-47.73
O=C(CC1=CC=C(O)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640839	0	35	-1.0	-56.07	301.04	-0.26	-56.33
O=C(CC1=CC=C(O)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640839	1	35	-1.0	-56.03	301.10	-0.24	-56.27
O=C(CN1CCC(CO)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640840	0	42	-1.0	-53.04	326.39	-0.63	-53.67
O=C(CN1CCC(CO)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640840	1	42	-1.0	-53.06	326.45	-0.60	-53.66
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C=O	REAL250004640842	0	32	-1.0	-62.63	279.97	1.51	-61.12
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C=O	REAL250004640842	1	32	-1.0	-62.64	279.91	1.49	-61.15
O=C(C1=CS(=O)(=O)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640843	0	34	-1.0	-67.28	294.49	0.03	-67.25
O=C(C1=CS(=O)(=O)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640843	1	34	-1.0	-67.32	294.54	0.05	-67.27
O=C(C1CCC2(CC1)N=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640844	0	36	-1.0	-54.48	288.92	-1.52	-56.00
O=C(C1CCC2(CC1)N=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640844	1	36	-1.0	-54.52	288.98	-1.50	-56.02
CC1CN2CCN1CC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640845	1	41	-1.0	-53.91	301.70	-1.33	-55.24
CC1CN2CCN1CC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640845	1	41	-1.0	-53.94	301.76	-1.30	-55.24
O=C(C1=NC=CC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640846	0	34	-1.0	-65.01	287.85	3.55	-61.46
O=C(C1=NC=CC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640846	1	34	-1.0	-65.01	287.80	3.53	-61.48
CC1=CC=CN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL250004640847	0	37	-1.0	-60.32	304.41	5.83	-54.49
CC1=CC=CN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL250004640847	1	37	-1.0	-60.30	304.35	5.82	-54.48
CC(C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004640848	0	43	-1.0	-53.57	329.19	3.89	-49.68
CC(C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004640848	1	43	-1.0	-53.57	329.25	3.90	-49.67
O=C(C1=CC=CC2=C1CCOC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640849	0	38	-1.0	-53.69	302.37	3.62	-50.07
O=C(C1=CC=CC2=C1CCOC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640849	1	38	-1.0	-53.68	302.43	3.63	-50.05
O=C(CC1CCCC1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640850	0	36	-1.0	-48.54	293.44	4.43	-44.11
O=C(CC1CCCC1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640850	1	36	-1.0	-48.56	293.49	4.45	-44.11
O=C(CC1CCC(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640851	0	41	-1.0	-56.78	326.29	4.92	-51.86
O=C(CC1CCC(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640851	1	41	-1.0	-56.74	326.35	4.95	-51.79
COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640852	0	36	-1.0	-56.71	304.89	1.66	-55.05
COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640852	1	36	-1.0	-56.75	304.94	1.69	-55.06
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640853	0	40	-1.0	-54.61	293.02	4.92	-49.69
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640853	1	40	-1.0	-54.62	293.08	4.94	-49.68
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004640854	0	31	-1.0	-56.79	271.95	2.48	-54.31
O=CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004640854	1	31	-1.0	-56.80	271.89	2.45	-54.35
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C=O	REAL250004640855	0	33	-1.0	-57.71	280.47	2.74	-54.97
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C=O	REAL250004640855	1	33	-1.0	-57.71	280.53	2.75	-54.96
O=CC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640856	0	31	-1.0	-46.74	263.54	0.92	-45.82
O=CC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640856	1	31	-1.0	-46.73	263.48	0.91	-45.82
CC(C)N1C=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640857	0	36	-1.0	-52.84	293.68	4.38	-48.46
CC(C)N1C=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640857	1	36	-1.0	-52.83	293.62	4.35	-48.48
CC1=CC=C(C#N)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640858	0	34	-1.0	-51.69	291.55	4.63	-47.06
CC1=CC=C(C#N)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640858	1	34	-1.0	-51.72	291.61	4.64	-47.08
O=C(C1=C2CCCNC2=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640859	0	36	-1.0	-51.51	287.87	1.19	-50.32
O=C(C1=C2CCCNC2=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640859	1	36	-1.0	-51.51	287.93	1.21	-50.30
O=C(C1=C2C=CC=CC2=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640860	0	32	-1.0	-50.87	276.39	3.53	-47.34
O=C(C1=C2C=CC=CC2=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640860	1	32	-1.0	-50.85	276.33	3.50	-47.35
O=C(C1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640861	0	32	-1.0	-54.06	272.40	0.48	-53.58
O=C(C1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640861	1	32	-1.0	-54.09	272.34	0.45	-53.64
CC1=NNC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640862	0	36	-1.0	-51.31	302.48	2.40	-48.91
CC1=NNC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640862	1	36	-1.0	-51.31	302.54	2.43	-48.88
O=C(C1=CC2=NNC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640863	0	32	-1.0	-47.73	264.98	-0.17	-47.90
O=C(C1=CC2=NNC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640863	1	32	-1.0	-47.74	264.91	-0.17	-47.91
O=C(C1=CC=C(CO)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640864	0	33	-1.0	-53.16	276.25	-0.79	-53.95
O=C(C1=CC=C(CO)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640864	1	33	-1.0	-53.20	276.30	-0.76	-53.96
CC1(O)CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640865	0	43	-1.0	-51.46	328.58	2.36	-49.10
CC1(O)CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640865	1	43	-1.0	-51.46	328.64	2.38	-49.08
CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640866	0	38	-1.0	-48.99	295.54	-2.02	-51.01
CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640866	1	38	-1.0	-48.99	295.60	-2.00	-50.99
C=C(CCC(=O)OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640867	0	36	-1.0	-55.77	310.11	3.58	-52.19
C=C(CCC(=O)OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640867	1	36	-1.0	-55.73	310.17	3.60	-52.13
O=C(CC1C=CS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640868	0	34	-1.0	-54.17	292.80	0.09	-54.08
O=C(CC1C=CS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640868	1	34	-1.0	-54.12	292.86	0.12	-54.00
O=C(C1=CSC2=CN=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640869	0	30	-1.0	-46.91	276.62	4.13	-42.78
O=C(C1=CSC2=CN=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640869	1	30	-1.0	-46.90	276.68	4.15	-42.75
CN1C=CN=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640870	0	36	-1.0	-52.01	300.38	3.76	-48.25
CN1C=CN=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640870	1	36	-1.0	-52.00	300.43	3.79	-48.21
O=C(C1=CN(CCO)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640871	0	34	-1.0	-53.33	287.25	-1.13	-54.46
O=C(C1=CN(CCO)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640871	1	34	-1.0	-53.32	287.19	-1.15	-54.47
COC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CN=C1F	REAL250004640872	0	33	-1.0	-38.95	274.29	1.74	-37.21
COC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CN=C1F	REAL250004640872	1	33	-1.0	-38.93	274.23	1.73	-37.20
CC1=CC(Cl)=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640873	0	32	-1.0	-50.65	286.87	3.80	-46.85
CC1=CC(Cl)=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640873	1	32	-1.0	-50.71	286.92	3.83	-46.88
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C=O)O1	REAL250004640874	0	32	-1.0	-54.46	275.00	2.89	-51.57
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C=O)O1	REAL250004640874	1	32	-1.0	-54.48	275.06	2.90	-51.58
O=C(C1=CC2=CNC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640875	0	33	-1.0	-75.29	281.35	2.74	-72.55
O=C(C1=CC2=CNC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640875	1	33	-1.0	-75.31	281.29	2.71	-72.60
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640876	0	37	-1.0	-52.74	309.79	3.63	-49.11
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640876	1	37	-1.0	-52.80	309.85	3.65	-49.15
O=C(C1=CC2=CC=CN2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640877	0	33	-1.0	-58.45	280.51	6.01	-52.44
O=C(C1=CC2=CC=CN2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640877	1	33	-1.0	-58.48	280.45	5.99	-52.49
C=CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL250004640878	0	43	-1.0	-51.14	315.67	5.45	-45.69
C=CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL250004640878	1	43	-1.0	-51.18	315.72	5.47	-45.71
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640879	0	36	-1.0	-49.67	306.36	4.03	-45.64
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640879	1	36	-1.0	-49.67	306.42	4.05	-45.62
O=C(C1=CC(Cl)=NC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640880	0	29	-1.0	-49.95	269.08	2.31	-47.64
O=C(C1=CC(Cl)=NC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640880	1	29	-1.0	-49.96	269.02	2.30	-47.66
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)OC2=CC=C1	REAL250004640881	0	36	-1.0	-52.31	303.81	5.07	-47.24
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)OC2=CC=C1	REAL250004640881	1	36	-1.0	-52.34	303.87	5.10	-47.24
CC(C)N1C=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004640882	0	39	-1.0	-59.46	321.52	3.80	-55.66
CC(C)N1C=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004640882	1	39	-1.0	-59.45	321.57	3.83	-55.62
O=C(C1=CC2=NC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640883	0	32	-1.0	-54.49	277.76	2.63	-51.86
O=C(C1=CC2=NC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640883	1	32	-1.0	-54.48	277.70	2.61	-51.87
CC1=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=N1	REAL250004640884	0	33	-1.0	-53.11	292.92	2.93	-50.18
CC1=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=N1	REAL250004640884	1	33	-1.0	-53.12	292.98	2.96	-50.16
CC1=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004640885	0	35	-1.0	-53.83	297.63	3.58	-50.25
CC1=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004640885	1	35	-1.0	-53.83	297.68	3.60	-50.23
O=C(C=CC1=CN=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640887	0	33	-1.0	-51.86	289.53	3.45	-48.41
O=C(C=CC1=CN=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640887	1	33	-1.0	-51.86	289.59	3.48	-48.38
CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640888	0	32	-1.0	-51.30	274.24	1.40	-49.90
CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640888	1	32	-1.0	-51.31	274.19	1.37	-49.94
CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640889	0	37	-1.0	-52.24	294.61	2.47	-49.77
CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640889	1	37	-1.0	-52.27	294.67	2.50	-49.77
CC1=CC=CC=C1C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640890	0	39	-1.0	-55.28	307.94	5.39	-49.89
CC1=CC=CC=C1C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640890	1	39	-1.0	-55.27	307.99	5.42	-49.85
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC=N1	REAL250004640891	0	32	-1.0	-50.90	275.94	1.02	-49.88
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC=N1	REAL250004640891	1	32	-1.0	-50.85	275.89	1.00	-49.85
O=C([C@@H]1CSCC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640892	0	32	-1.0	-51.14	276.53	0.19	-50.95
O=C([C@@H]1CSCC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640892	1	32	-1.0	-51.16	276.59	0.22	-50.94
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)F	REAL250004640894	0	35	-1.0	-51.95	282.42	3.75	-48.20
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)F	REAL250004640894	1	35	-1.0	-51.97	282.48	3.77	-48.20
CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640895	0	34	-1.0	-59.08	282.36	1.93	-57.15
CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640895	1	34	-1.0	-59.09	282.42	1.96	-57.13
O=C(C1CCCCC1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640896	0	36	-1.0	-56.28	287.06	4.18	-52.10
O=C(C1CCCCC1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640896	1	36	-1.0	-56.28	287.12	4.19	-52.09
CC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL250004640897	0	35	-1.0	-53.30	286.24	4.06	-49.24
CC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL250004640897	1	35	-1.0	-53.27	286.18	4.04	-49.23
O=C(C=CCl)NCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640898	0	34	-1.0	-58.99	309.05	1.15	-57.84
O=C(C=CCl)NCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640898	1	34	-1.0	-59.01	309.11	1.18	-57.83
O=C(C1=C2C=COC2=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640899	0	32	-1.0	-57.06	273.81	3.09	-53.97
O=C(C1=C2C=COC2=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640899	1	32	-1.0	-57.08	273.75	3.07	-54.01
CC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL250004640900	0	35	-1.0	-54.85	287.24	3.93	-50.92
CC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL250004640900	1	35	-1.0	-54.84	287.30	3.96	-50.88
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CNC2=N1	REAL250004640902	0	35	-1.0	-76.21	301.79	2.60	-73.61
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CNC2=N1	REAL250004640902	1	35	-1.0	-76.19	301.73	2.59	-73.60
O=C(C1CCC2=CNN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640903	0	34	-1.0	-56.26	276.07	2.11	-54.15
O=C(C1CCC2=CNN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640903	1	34	-1.0	-56.25	276.13	2.13	-54.12
O=C(CC1CCCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640904	0	40	-1.0	-56.36	303.08	3.18	-53.18
O=C(CC1CCCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640904	1	40	-1.0	-56.35	303.14	3.21	-53.14
C=CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004640905	0	34	-1.0	-53.46	288.62	2.77	-50.69
C=CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004640905	1	34	-1.0	-53.44	288.56	2.76	-50.68
O=C(C1CCCC2=C1NN=C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640906	0	37	-1.0	-55.19	299.24	2.56	-52.63
O=C(C1CCCC2=C1NN=C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640906	1	37	-1.0	-55.13	299.30	2.58	-52.55
CC1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)CC1	REAL250004640907	0	40	-1.0	-55.02	317.19	6.03	-48.99
CC1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)CC1	REAL250004640907	1	40	-1.0	-55.01	317.25	6.05	-48.96
CN1C=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004640908	0	32	-1.0	-62.75	275.26	1.22	-61.53
CN1C=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004640908	1	32	-1.0	-62.70	275.32	1.24	-61.46
CC1=NOC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640909	0	35	-1.0	-52.56	297.56	3.64	-48.92
CC1=NOC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640909	1	35	-1.0	-52.61	297.62	3.67	-48.94
O=C(C1=NOC(C2CCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640910	0	36	-1.0	-50.18	300.50	4.40	-45.78
O=C(C1=NOC(C2CCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640910	1	36	-1.0	-50.25	300.56	4.41	-45.84
CC1(C)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004640911	0	42	-1.0	-52.94	321.93	5.29	-47.65
CC1(C)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004640911	1	42	-1.0	-52.94	321.98	5.31	-47.63
CC1(C)CC2(CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2)C1	REAL250004640912	0	43	-1.0	-53.25	332.24	5.81	-47.44
CC1(C)CC2(CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2)C1	REAL250004640912	1	43	-1.0	-53.25	332.30	5.84	-47.41
NC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640913	0	32	-1.0	-50.05	269.90	1.73	-48.32
NC1=CC=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640913	1	32	-1.0	-50.04	269.96	1.75	-48.29
O=C(CC1=CN=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640914	0	31	-1.0	-54.34	268.95	2.70	-51.64
O=C(CC1=CN=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640914	1	31	-1.0	-54.28	268.89	2.68	-51.60
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN=N1	REAL250004640915	0	31	-1.0	-51.69	262.16	1.33	-50.36
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN=N1	REAL250004640915	1	31	-1.0	-51.67	262.21	1.36	-50.31
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC(C)(C)C1	REAL250004640916	0	45	-1.0	-52.64	335.75	5.61	-47.03
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC(C)(C)C1	REAL250004640916	1	45	-1.0	-52.60	335.81	5.63	-46.97
O=C(C1=CN2C=CN=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640917	0	32	-1.0	-53.29	276.92	3.17	-50.12
O=C(C1=CN2C=CN=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640917	1	32	-1.0	-53.30	276.86	3.14	-50.16
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL250004640918	0	38	-1.0	-58.55	311.89	2.84	-55.71
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL250004640918	1	38	-1.0	-58.56	311.95	2.86	-55.70
CC[C@H](C)[C@H](O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640919	0	36	-1.0	-49.65	277.16	1.57	-48.08
CC[C@H](C)[C@H](O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640919	1	36	-1.0	-49.64	277.22	1.57	-48.07
CC(C)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004640920	0	44	-1.0	-51.71	322.70	5.40	-46.31
CC(C)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004640920	1	44	-1.0	-51.74	322.75	5.40	-46.34
CC1(C)C2CCC(C2)C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640921	0	43	-1.0	-53.48	310.00	5.35	-48.13
CC1(C)C2CCC(C2)C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640921	1	43	-1.0	-53.54	310.06	5.37	-48.17
O=C(C1=CC=C(F)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640922	0	31	-1.0	-41.98	268.48	0.45	-41.53
O=C(C1=CC=C(F)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640922	1	31	-1.0	-42.01	268.55	0.45	-41.56
O=C(C1=CC=C(Cl)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640924	1	31	-1.0	-41.56	278.26	0.93	-40.63
O=C(C1=CC=C(Cl)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640924	1	31	-1.0	-41.54	278.34	0.94	-40.60
CN1C=CC2=C1C=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N2	REAL250004640926	0	35	-1.0	-55.79	291.27	3.67	-52.12
CN1C=CC2=C1C=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N2	REAL250004640926	1	35	-1.0	-55.75	291.22	3.64	-52.11
C[C@@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=NN=N1	REAL250004640928	0	31	-1.0	-55.16	262.41	1.32	-53.84
C[C@@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=NN=N1	REAL250004640928	1	31	-1.0	-55.17	262.35	1.29	-53.88
CNC(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640929	0	33	-1.0	-50.78	278.83	0.00	-50.78
CNC(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640929	1	33	-1.0	-50.79	278.89	0.03	-50.76
C=C(F)C1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1	REAL250004640930	0	37	-1.0	-53.48	295.55	4.52	-48.96
C=C(F)C1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1	REAL250004640930	1	37	-1.0	-53.42	295.60	4.54	-48.88
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL250004640931	0	31	-1.0	-38.08	270.42	3.53	-34.55
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL250004640931	1	31	-1.0	-38.07	270.48	3.53	-34.54
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL250004640932	0	33	-1.0	-59.33	282.67	-1.35	-60.68
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL250004640932	1	33	-1.0	-59.30	282.61	-1.38	-60.68
O=C(CC(O)C1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640933	0	40	-1.0	-55.30	314.29	2.63	-52.67
O=C(CC(O)C1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640933	1	40	-1.0	-55.28	314.35	2.65	-52.63
NC(=O)C1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640934	0	33	-1.0	-65.75	283.48	-0.48	-66.23
NC(=O)C1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640934	1	33	-1.0	-65.80	283.42	-0.50	-66.30
CC1(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCC1	REAL250004640935	0	40	-1.0	-56.38	312.89	4.49	-51.89
CC1(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCC1	REAL250004640935	1	40	-1.0	-56.39	312.95	4.52	-51.87
O=C(C1=CC2=CC=CC=C2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640936	0	35	-1.0	-57.40	294.72	5.04	-52.36
O=C(C1=CC2=CC=CC=C2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640936	1	35	-1.0	-57.38	294.65	5.02	-52.36
O=C(CCC1CC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640937	0	36	-1.0	-51.72	302.24	4.70	-47.02
O=C(CCC1CC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640937	1	36	-1.0	-51.78	302.30	4.73	-47.05
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1F	REAL250004640938	0	32	-1.0	-50.92	275.33	3.33	-47.59
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1F	REAL250004640938	1	32	-1.0	-50.94	275.27	3.31	-47.63
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640939	0	35	-1.0	-50.39	281.27	2.48	-47.91
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640939	1	35	-1.0	-50.36	281.33	2.51	-47.85
CC1(C)CC1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640940	0	39	-1.0	-51.81	312.37	5.16	-46.65
CC1(C)CC1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640940	1	39	-1.0	-51.86	312.43	5.19	-46.67
O=C(COC1=CC=C(F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640941	0	33	-1.0	-53.20	292.12	2.11	-51.09
O=C(COC1=CC=C(F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640941	1	33	-1.0	-53.18	292.07	2.09	-51.09
CC1(C)COCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004640942	0	41	-1.0	-57.95	321.68	2.95	-55.00
CC1(C)COCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640942	1	41	-1.0	-57.95	321.73	2.97	-54.98
CC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL250004640943	0	40	-1.0	-54.93	301.99	2.67	-52.26
CC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL250004640943	1	40	-1.0	-54.95	302.05	2.70	-52.25
O=C(CCCCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640944	0	35	-1.0	-50.94	301.87	4.40	-46.54
O=C(CCCCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640944	1	35	-1.0	-50.93	301.93	4.42	-46.51
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640945	0	34	-1.0	-53.19	290.65	2.26	-50.93
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640945	1	34	-1.0	-53.16	290.70	2.28	-50.88
CN1N=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640946	0	33	-1.0	-47.07	287.58	2.07	-45.00
CN1N=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640946	1	33	-1.0	-47.06	287.54	2.05	-45.01
COC1CCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640947	0	37	-1.0	-53.05	294.48	2.41	-50.64
COC1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640947	1	37	-1.0	-53.10	294.54	2.44	-50.66
O=C(C1CC2CCCC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640948	0	37	-1.0	-53.63	287.95	4.66	-48.97
O=C(C1CC2CCCC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640948	1	37	-1.0	-53.67	288.01	4.69	-48.98
COC(=O)[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640949	0	36	-1.0	-59.16	300.19	3.59	-55.57
COC(=O)[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640949	1	36	-1.0	-59.18	300.25	3.62	-55.56
CCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004640950	0	32	-1.0	-53.04	282.09	2.89	-50.15
CCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004640950	1	32	-1.0	-52.99	282.15	2.92	-50.07
O=C(C1=NNC=C1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640951	0	34	-1.0	-57.27	282.77	2.76	-54.51
O=C(C1=NNC=C1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640951	1	34	-1.0	-57.29	282.83	2.79	-54.50
O=C(C1CCC2CC2CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640952	0	40	-1.0	-53.39	299.25	5.09	-48.30
O=C(C1CCC2CC2CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640952	1	40	-1.0	-53.37	299.31	5.11	-48.26
O=C(CC1CCC=CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640953	0	40	-1.0	-51.33	305.40	5.36	-45.97
O=C(CC1CCC=CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640953	1	40	-1.0	-51.33	305.45	5.39	-45.94
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640954	0	35	-1.0	-66.04	297.98	1.95	-64.09
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640954	1	35	-1.0	-66.01	298.04	1.97	-64.04
O=C(C1=CCCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640955	0	35	-1.0	-41.21	266.69	1.40	-39.81
O=C(C1=CCCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640955	1	35	-1.0	-41.22	266.75	1.41	-39.81
CC1(C)CCC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640956	0	40	-1.0	-52.67	311.77	5.02	-47.65
CC1(C)CCC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640956	1	40	-1.0	-52.67	311.82	5.04	-47.63
O=C(C=CC1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640957	0	33	-1.0	-53.32	283.10	3.40	-49.92
O=C(C=CC1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640957	1	33	-1.0	-53.29	283.16	3.42	-49.87
O=C(C1=CC=C(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640958	0	34	-1.0	-51.96	289.30	4.45	-47.51
O=C(C1=CC=C(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640958	1	34	-1.0	-51.96	289.36	4.47	-47.49
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C(F)F	REAL250004640959	0	33	-1.0	-52.91	289.39	2.68	-50.23
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C(F)F	REAL250004640959	1	33	-1.0	-52.87	289.44	2.71	-50.16
O=CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004640960	0	29	-1.0	-56.17	256.31	2.03	-54.14
O=CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004640960	1	29	-1.0	-56.19	256.36	2.05	-54.14
O=C(C1=CN=C2SCCN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640961	0	32	-1.0	-53.06	277.61	2.77	-50.29
O=C(C1=CN=C2SCCN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640961	1	32	-1.0	-53.04	277.55	2.75	-50.29
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640962	0	38	-1.0	-54.87	293.69	5.25	-49.62
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640962	1	38	-1.0	-54.83	293.74	5.27	-49.56
CC1CC2CC2CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640963	0	40	-1.0	-54.92	297.83	5.09	-49.83
CC1CC2CC2CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640963	1	40	-1.0	-54.91	297.89	5.11	-49.80
CN1C=CC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640964	0	33	-1.0	-67.85	285.90	3.12	-64.73
CN1C=CC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640964	1	33	-1.0	-67.84	285.96	3.14	-64.70
O=C(CC1=NOC(C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640965	0	36	-1.0	-57.87	307.09	4.43	-53.44
O=C(CC1=NOC(C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640965	1	36	-1.0	-57.86	307.15	4.46	-53.40
CCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1	REAL250004640966	0	33	-1.0	-55.13	277.85	2.45	-52.68
CCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1	REAL250004640966	1	33	-1.0	-55.10	277.90	2.48	-52.62
O=C(C=CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640967	0	34	-1.0	-53.68	288.24	5.16	-48.52
O=C(C=CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640967	1	34	-1.0	-53.71	288.30	5.17	-48.54
O=C(C=CC1=CC=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640968	0	34	-1.0	-51.97	294.64	5.23	-46.74
O=C(C=CC1=CC=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640968	1	34	-1.0	-51.96	294.70	5.25	-46.71
O=C(C1=CC=CC(F)=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640969	1	31	-1.0	-38.02	259.41	1.61	-36.41
O=C(C1=CC=CC(F)=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640969	1	31	-1.0	-38.04	259.48	1.61	-36.43
COC1=CC(C#N)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640970	0	35	-1.0	-55.15	300.57	4.26	-50.89
COC1=CC(C#N)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640970	1	35	-1.0	-55.10	300.62	4.28	-50.82
COC1=CC(=O)NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640971	0	34	-1.0	-53.00	293.41	0.15	-52.85
COC1=CC(=O)NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640971	1	34	-1.0	-53.00	293.47	0.17	-52.83
CC1=CC=CC(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640972	0	35	-1.0	-48.34	293.78	4.49	-43.85
CC1=CC=CC(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640972	1	35	-1.0	-48.33	293.84	4.52	-43.81
O=C(COC1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640973	0	43	-1.0	-55.76	326.99	5.11	-50.65
O=C(COC1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640973	1	43	-1.0	-55.78	327.05	5.14	-50.64
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640974	0	40	-1.0	-54.22	299.57	5.25	-48.97
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640974	1	40	-1.0	-54.22	299.63	5.28	-48.94
CC1(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)CC1	REAL250004640976	0	40	-1.0	-42.42	311.65	5.56	-36.86
CC1(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CC1	REAL250004640976	1	40	-1.0	-42.42	311.72	5.54	-36.88
O=C(C1=CC=C(OC2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640977	0	38	-1.0	-43.10	305.07	4.10	-39.00
O=C(C1=CC=C(OC2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640977	1	38	-1.0	-43.08	305.12	4.11	-38.97
O=C(C1=NC=CC2=NC=NC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640978	0	33	-1.0	-51.08	279.71	2.86	-48.22
O=C(C1=NC=CC2=NC=NC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640978	1	33	-1.0	-51.08	279.65	2.84	-48.24
O=C(C1=NC2=CNN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640979	0	32	-1.0	-57.42	274.68	1.38	-56.04
O=C(C1=NC2=CNN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640979	1	32	-1.0	-57.41	274.62	1.35	-56.06
O=C(C(O)C1(O)CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640980	0	39	-1.0	-53.54	297.95	-2.18	-55.72
O=C(C(O)C1(O)CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640980	1	39	-1.0	-53.52	298.02	-2.16	-55.68
O=C(C1=CC=C(CO)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640981	0	33	-1.0	-54.87	281.42	0.06	-54.81
O=C(C1=CC=C(CO)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640981	1	33	-1.0	-54.87	281.36	0.03	-54.84
CC1=NOC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640982	0	32	-1.0	-55.96	275.41	2.64	-53.32
CC1=NOC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640982	1	32	-1.0	-56.02	275.47	2.66	-53.36
CN1N=CC(Cl)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640983	0	33	-1.0	-52.01	296.88	2.70	-49.31
CN1N=CC(Cl)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640983	1	33	-1.0	-51.98	296.94	2.73	-49.25
O=C(C1=CN2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640984	0	36	-1.0	-56.88	291.79	2.49	-54.39
O=C(C1=CN2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640984	1	36	-1.0	-56.88	291.85	2.51	-54.37
CCN1C(=O)NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640985	0	34	-1.0	-54.83	281.70	1.24	-53.59
CCN1C(=O)NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640985	1	34	-1.0	-54.85	281.76	1.25	-53.60
CNC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640986	0	34	-1.0	-51.80	280.37	2.00	-49.80
CNC1=NC=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640986	1	34	-1.0	-51.85	280.43	2.02	-49.83
COC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640987	0	34	-1.0	-55.99	281.76	2.67	-53.32
COC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640987	1	34	-1.0	-56.00	281.81	2.69	-53.31
O=C(CC1CCC2CC2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640988	0	40	-1.0	-52.09	306.81	5.55	-46.54
O=C(CC1CCC2CC2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640988	1	40	-1.0	-52.12	306.87	5.58	-46.54
CC1=NSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004640989	0	29	-1.0	-49.79	258.55	1.80	-47.99
CC1=NSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004640989	1	29	-1.0	-49.77	258.61	1.82	-47.95
CC(C)C(O)C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640990	0	36	-1.0	-47.31	294.32	1.06	-46.25
CC(C)C(O)C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640990	1	36	-1.0	-47.24	294.38	1.09	-46.15
C#CC1(O)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640991	0	33	-1.0	-53.89	283.39	0.66	-53.23
C#CC1(O)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640991	1	33	-1.0	-53.87	283.45	0.68	-53.19
O=C(C1=C2C=CC=CN2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640992	0	33	-1.0	-63.07	279.88	5.75	-57.32
O=C(C1=C2C=CC=CN2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640992	1	33	-1.0	-63.05	279.82	5.72	-57.33
CC1=CC=CN2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL250004640993	0	36	-1.0	-58.44	303.90	4.52	-53.92
CC1=CC=CN2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL250004640993	1	36	-1.0	-58.45	303.85	4.49	-53.96
CN1N=CC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL250004640994	0	35	-1.0	-43.63	288.84	0.91	-42.72
CN1N=CC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL250004640994	1	35	-1.0	-43.68	288.78	0.91	-42.77
CC1(C2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=NO2)CC1	REAL250004640996	0	35	-1.0	-54.53	299.12	1.87	-52.66
CC1(C2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=NO2)CC1	REAL250004640996	1	35	-1.0	-54.49	299.07	1.84	-52.65
CCOCCOCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640997	0	40	-1.0	-51.18	330.31	1.94	-49.24
CCOCCOCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640997	1	40	-1.0	-51.18	330.37	1.97	-49.21
CC1(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL250004640998	0	41	-1.0	-57.33	319.01	2.72	-54.61
CC1(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL250004640998	1	41	-1.0	-57.36	319.06	2.74	-54.62
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640999	0	38	-1.0	-53.97	306.90	3.37	-50.60
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640999	1	38	-1.0	-53.92	306.95	3.40	-50.52
CC1=CSC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641000	0	33	-1.0	-51.93	291.13	4.45	-47.48
CC1=CSC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641000	1	33	-1.0	-51.88	291.19	4.48	-47.40
O=C(C#CC1CCCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641001	0	36	-1.0	-52.08	301.60	3.24	-48.84
O=C(C#CC1CCCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641001	1	36	-1.0	-52.05	301.66	3.27	-48.78
O=C(CC1CC(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641003	0	33	-1.0	-50.57	273.67	3.83	-46.74
O=C(CC1CC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641003	1	33	-1.0	-50.61	273.73	3.86	-46.75
O=C(C1CC2(CC2(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641004	0	34	-1.0	-57.47	291.55	4.51	-52.96
O=C(C1CC2(CC2(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641004	1	34	-1.0	-57.50	291.61	4.53	-52.97
O=C(CSC1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641005	0	33	-1.0	-53.90	295.91	3.59	-50.31
O=C(CSC1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641005	1	33	-1.0	-53.88	295.85	3.57	-50.31
O=C(C1=CN2N=CN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641006	0	32	-1.0	-39.58	266.05	3.47	-36.11
O=C(C1=CN2N=CN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641006	1	32	-1.0	-39.60	265.99	3.47	-36.13
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(C=O)=C1	REAL250004641007	0	33	-1.0	-53.67	279.85	2.23	-51.44
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(C=O)=C1	REAL250004641007	1	33	-1.0	-53.67	279.91	2.25	-51.42
O=C(C1CCS1(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641008	0	30	-1.0	-64.67	263.49	-1.12	-65.79
O=C(C1CCS1(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641008	1	30	-1.0	-64.65	263.55	-1.09	-65.74
O=C(CC(O)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641009	0	34	-1.0	-55.19	282.18	1.56	-53.63
O=C(CC(O)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641009	1	34	-1.0	-55.20	282.23	1.58	-53.62
O=C(C1=C2NCCCN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641010	0	36	-1.0	-54.74	292.70	1.06	-53.68
O=C(C1=C2NCCCN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641010	1	36	-1.0	-54.77	292.65	1.05	-53.72
CC1=NSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004641011	0	31	-1.0	-49.79	267.52	-0.08	-49.87
CC1=NSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004641011	1	31	-1.0	-49.75	267.58	-0.06	-49.81
O=C(C=CC1=NC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641012	0	30	-1.0	-54.47	274.74	2.32	-52.15
O=C(C=CC1=NC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641012	1	30	-1.0	-54.48	274.80	2.33	-52.15
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL250004641013	0	37	-1.0	-42.61	300.77	3.28	-39.33
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL250004641013	1	37	-1.0	-42.62	300.84	3.30	-39.32
COC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CS1	REAL250004641014	0	31	-1.0	-57.89	272.64	2.78	-55.11
COC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CS1	REAL250004641014	1	31	-1.0	-57.84	272.70	2.81	-55.03
O=C(C1C(F)(F)C12CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641015	0	34	-1.0	-49.23	287.94	4.53	-44.70
O=C(C1C(F)(F)C12CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641015	1	34	-1.0	-49.24	288.00	4.55	-44.69
COCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCC1	REAL250004641016	0	43	-1.0	-50.62	328.49	3.92	-46.70
COCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCC1	REAL250004641016	1	43	-1.0	-50.61	328.55	3.95	-46.66
O=C(C1=CC=CC(CCl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641017	0	33	-1.0	-40.20	283.62	4.35	-35.85
O=C(C1=CC=CC(CCl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641017	1	33	-1.0	-40.21	283.69	4.34	-35.87
N#CC1=C(N)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004641018	0	33	-1.0	-54.16	295.37	1.36	-52.80
N#CC1=C(N)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004641018	1	33	-1.0	-54.13	295.31	1.33	-52.80
CCCC(C(=O)OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641019	0	38	-1.0	-49.90	305.39	3.77	-46.13
CCCC(C(=O)OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641019	1	38	-1.0	-49.91	305.44	3.80	-46.11
O=C(CCC[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641020	0	31	-1.0	-57.91	269.84	2.86	-55.05
O=C(CCC[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641020	1	31	-1.0	-57.91	269.90	2.89	-55.02
C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641021	0	45	-1.0	-53.39	332.68	5.95	-47.44
C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641021	1	45	-1.0	-53.39	332.74	5.96	-47.43
CC1=CC(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004641022	0	36	-1.0	-56.47	309.93	3.25	-53.22
CC1=CC(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004641022	1	36	-1.0	-56.44	309.98	3.28	-53.16
CCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=N1	REAL250004641023	0	39	-1.0	-55.28	316.12	3.60	-51.68
CCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=N1	REAL250004641023	1	39	-1.0	-55.23	316.18	3.61	-51.62
CCCN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004641024	0	39	-1.0	-51.95	314.63	3.51	-48.44
CCCN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004641024	1	39	-1.0	-51.91	314.69	3.52	-48.39
O=C(C#CC1CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641025	0	38	-1.0	-52.19	310.67	5.62	-46.57
O=C(C#CC1CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641025	1	38	-1.0	-52.17	310.72	5.65	-46.52
O=C(C1=NNC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641026	0	27	-1.0	-55.73	249.56	1.16	-54.57
O=C(C1=NNC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641026	1	27	-1.0	-55.66	249.62	1.18	-54.48
O=C(C(O)C1(O)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641027	0	35	-1.0	-48.32	276.02	-0.98	-49.30
O=C(C(O)C1(O)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641027	1	35	-1.0	-48.32	276.08	-0.96	-49.28
CC(O)C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641029	0	30	-1.0	-47.46	257.27	0.56	-46.90
CC(O)C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641029	1	30	-1.0	-47.49	257.33	0.59	-46.90
CC(CN1C=CN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641030	0	36	-1.0	-49.23	292.67	4.44	-44.79
CC(CN1C=CN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641030	1	36	-1.0	-49.26	292.72	4.47	-44.79
O=C(N1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641031	0	36	-1.0	-55.51	290.33	4.55	-50.96
O=C(N1CC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641031	1	36	-1.0	-55.60	290.39	4.57	-51.03
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004641032	0	38	-1.0	-52.64	295.27	4.00	-48.64
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004641032	1	38	-1.0	-52.61	295.33	4.01	-48.60
O=C(C1=CC=CC2=CC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641033	0	33	-1.0	-58.07	286.59	3.46	-54.61
O=C(C1=CC=CC2=CC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641033	1	33	-1.0	-58.04	286.54	3.45	-54.59
COC(=O)C1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641034	0	39	-1.0	-58.82	318.58	4.04	-54.78
COC(=O)C1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641034	1	39	-1.0	-58.78	318.64	4.07	-54.71
O=C(C1=COC2=C1COC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641035	0	32	-1.0	-54.89	269.36	1.15	-53.74
O=C(C1=COC2=C1COC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641035	1	32	-1.0	-54.88	269.42	1.17	-53.71
CC(C)N1C=NN=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641036	0	38	-1.0	-57.51	315.15	4.83	-52.68
CC(C)N1C=NN=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641036	1	38	-1.0	-57.50	315.20	4.85	-52.65
O=C(C1=CC=C(C2CCC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641037	0	39	-1.0	-51.24	311.39	4.21	-47.03
O=C(C1=CC=C(C2CCC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641037	1	39	-1.0	-51.28	311.45	4.24	-47.04
N#CC1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004641038	0	31	-1.0	-57.64	280.77	2.54	-55.10
N#CC1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004641038	1	31	-1.0	-57.61	280.71	2.51	-55.10
O=C(CCC1=CON=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641039	0	32	-1.0	-52.25	275.69	2.90	-49.35
O=C(CCC1=CON=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641039	1	32	-1.0	-52.28	275.64	2.87	-49.41
CC1=CC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641040	0	39	-1.0	-50.54	315.50	4.47	-46.07
CC1=CC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641040	1	39	-1.0	-50.47	315.57	4.48	-45.99
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004641041	0	33	-1.0	-57.48	276.60	2.44	-55.04
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004641041	1	33	-1.0	-57.50	276.65	2.47	-55.03
O=C(C1C2CCOCC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641042	0	35	-1.0	-55.39	271.14	3.88	-51.51
O=C(C1C2CCOCC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641042	1	35	-1.0	-55.38	271.19	3.90	-51.48
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641043	0	36	-1.0	-52.74	301.28	4.21	-48.53
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641043	1	36	-1.0	-52.72	301.34	4.23	-48.49
CC1=CC=C(C(C)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641044	0	42	-1.0	-50.86	335.48	6.59	-44.27
CC1=CC=C(C(C)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641044	1	42	-1.0	-50.86	335.53	6.61	-44.25
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)CC1CC1	REAL250004641045	0	33	-1.0	-44.87	280.81	3.97	-40.90
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)CC1CC1	REAL250004641045	1	33	-1.0	-44.90	280.87	3.99	-40.91
O=C(C#CC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641046	0	33	-1.0	-53.63	283.80	2.62	-51.01
O=C(C#CC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641046	1	33	-1.0	-53.63	283.86	2.65	-50.98
COC1=NOC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641047	0	33	-1.0	-55.36	287.19	0.27	-55.09
COC1=NOC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641047	1	33	-1.0	-55.38	287.25	0.29	-55.09
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C)O1	REAL250004641048	0	36	-1.0	-52.65	294.78	4.08	-48.57
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C)O1	REAL250004641048	1	36	-1.0	-52.64	294.84	4.09	-48.55
CN1N=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C21	REAL250004641049	0	35	-1.0	-51.94	291.18	1.91	-50.03
CN1N=NC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C21	REAL250004641049	1	35	-1.0	-51.92	291.12	1.90	-50.02
O=C(C1=CC=C(Cl)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641050	0	28	-1.0	-49.75	253.94	2.33	-47.42
O=C(C1=CC=C(Cl)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641050	1	28	-1.0	-49.79	254.00	2.35	-47.44
CC1=C(C)NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641051	0	34	-1.0	-55.54	279.19	3.14	-52.40
CC1=C(C)NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641051	1	34	-1.0	-55.57	279.25	3.16	-52.41
CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004641052	0	36	-1.0	-51.53	294.81	4.08	-47.45
CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004641052	1	36	-1.0	-51.52	294.87	4.10	-47.42
CC1OCCC1(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641053	0	34	-1.0	-48.95	267.66	1.67	-47.28
CC1OCCC1(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641053	1	34	-1.0	-48.93	267.72	1.68	-47.25
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641054	0	37	-1.0	-58.36	311.10	3.74	-54.62
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641054	1	37	-1.0	-58.35	311.15	3.76	-54.59
O=C(C1CCCC2=C1NC=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641055	0	37	-1.0	-53.19	298.52	3.64	-49.55
O=C(C1CCCC2=C1NC=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641055	1	37	-1.0	-53.18	298.58	3.66	-49.52
O=C(C1CCN2N=CN=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641056	0	36	-1.0	-51.78	290.45	3.69	-48.09
O=C(C1CCN2N=CN=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641056	1	36	-1.0	-51.79	290.51	3.72	-48.07
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCOC1	REAL250004641057	0	41	-1.0	-54.44	317.28	2.44	-52.00
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCOC1	REAL250004641057	1	41	-1.0	-54.39	317.34	2.46	-51.93
CN1C=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL250004641058	0	37	-1.0	-46.20	297.96	4.76	-41.44
CN1C=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL250004641058	1	37	-1.0	-46.19	297.90	4.77	-41.42
CCC(C)(C)CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641059	0	44	-1.0	-51.95	331.70	5.42	-46.53
CCC(C)(C)CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641059	1	44	-1.0	-52.01	331.76	5.45	-46.56
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641060	0	40	-1.0	-52.96	327.65	6.65	-46.31
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641060	1	40	-1.0	-53.02	327.71	6.68	-46.34
CCCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL250004641061	0	39	-1.0	-52.02	317.18	4.85	-47.17
CCCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL250004641061	1	39	-1.0	-51.99	317.23	4.87	-47.12
CN1C=CC2=CC=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C21	REAL250004641062	0	36	-1.0	-59.14	303.69	3.49	-55.65
CN1C=CC2=CC=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C21	REAL250004641062	1	36	-1.0	-59.16	303.63	3.47	-55.69
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC=N1	REAL250004641063	0	32	-1.0	-51.57	270.16	0.09	-51.48
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC=N1	REAL250004641063	1	32	-1.0	-51.56	270.22	0.12	-51.44
O=C(C1=CCCS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641064	0	29	-1.0	-52.69	251.87	2.87	-49.82
O=C(C1=CCCS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641064	1	29	-1.0	-52.65	251.93	2.88	-49.77
O=C(C1=CC2=NC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641065	0	34	-1.0	-54.06	287.06	2.08	-51.98
O=C(C1=CC2=NC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641065	1	34	-1.0	-54.07	287.00	2.05	-52.02
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=CS1	REAL250004641066	0	29	-1.0	-53.29	257.00	2.29	-51.00
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=CS1	REAL250004641066	1	29	-1.0	-53.28	256.94	2.26	-51.02
O=C(C1=CSC2=NC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641067	0	30	-1.0	-47.84	276.74	3.49	-44.35
O=C(C1=CSC2=NC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641067	1	30	-1.0	-47.83	276.68	3.46	-44.37
CSC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004641068	0	36	-1.0	-55.08	285.80	3.64	-51.44
CSC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004641068	1	36	-1.0	-55.10	285.86	3.65	-51.45
NC(=O)C1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004641069	0	32	-1.0	-48.41	280.39	-2.27	-50.68
NC(=O)C1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004641069	1	32	-1.0	-48.38	280.33	-2.30	-50.68
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=N1	REAL250004641070	0	35	-1.0	-52.14	288.83	3.00	-49.14
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=N1	REAL250004641070	1	35	-1.0	-52.12	288.89	3.03	-49.09
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004641071	0	36	-1.0	-54.09	297.28	4.97	-49.12
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004641071	1	36	-1.0	-54.12	297.34	4.98	-49.14
O=C(C1CCCC2=NC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641072	0	36	-1.0	-59.30	294.29	3.96	-55.34
O=C(C1CCCC2=NC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641072	1	36	-1.0	-59.30	294.35	3.97	-55.33
O=C(CC1(O)CCCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641073	0	38	-1.0	-51.84	295.41	0.88	-50.96
O=C(CC1(O)CCCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641073	1	38	-1.0	-51.84	295.47	0.90	-50.94
N#CC1=CNN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641074	0	28	-1.0	-63.00	254.81	1.11	-61.89
N#CC1=CNN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641074	1	28	-1.0	-63.01	254.87	1.14	-61.87
O=C(C=CC1=COC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641075	0	30	-1.0	-54.75	266.06	-0.04	-54.79
O=C(C=CC1=COC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641075	1	30	-1.0	-54.79	266.12	-0.01	-54.80
O=C(CCC1=NNC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641076	0	33	-1.0	-54.90	280.58	1.83	-53.07
O=C(CCC1=NNC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641076	1	33	-1.0	-54.91	280.63	1.86	-53.05
CN1C=CN=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641077	0	33	-1.0	-56.99	284.63	3.50	-53.49
CN1C=CN=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641077	1	33	-1.0	-56.99	284.57	3.47	-53.52
CCC1=CNC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641078	0	34	-1.0	-60.42	277.04	2.91	-57.51
CCC1=CNC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641078	1	34	-1.0	-60.40	277.09	2.93	-57.47
O=C(CC1(O)CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641079	0	35	-1.0	-51.70	279.83	-0.38	-52.08
O=C(CC1(O)CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641079	1	35	-1.0	-51.73	279.89	-0.36	-52.09
CN(C)C(=O)C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641080	0	34	-1.0	-50.78	286.75	1.73	-49.05
CN(C)C(=O)C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641080	1	34	-1.0	-50.74	286.81	1.76	-48.98
O=C(C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC1CC1	REAL250004641081	0	35	-1.0	-50.43	301.83	1.51	-48.92
O=C(C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC1CC1	REAL250004641081	1	35	-1.0	-50.46	301.89	1.53	-48.93
CC1=CN(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL250004641082	0	36	-1.0	-58.29	298.48	2.95	-55.34
CC1=CN(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL250004641082	1	36	-1.0	-58.28	298.42	2.93	-55.35
O=C(C=CC1=CC=C(F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641083	0	33	-1.0	-52.48	289.52	3.34	-49.14
O=C(C=CC1=CC=C(F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641083	1	33	-1.0	-52.46	289.58	3.37	-49.09
O=C(COC1=NOC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641084	0	30	-1.0	-56.46	266.09	0.73	-55.73
O=C(COC1=NOC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641084	1	30	-1.0	-56.47	266.03	0.71	-55.76
O=C(C1=CC2=NC=NN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641086	0	32	-1.0	-53.52	281.26	4.27	-49.25
O=C(C1=CC2=NC=NN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641086	1	32	-1.0	-53.49	281.21	4.26	-49.23
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641087	0	38	-1.0	-56.57	284.02	2.39	-54.18
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641087	1	38	-1.0	-56.57	284.08	2.40	-54.17
CN1N=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CN=C21	REAL250004641088	0	34	-1.0	-50.30	290.59	3.41	-46.89
CN1N=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CN=C21	REAL250004641088	1	34	-1.0	-50.28	290.53	3.38	-46.90
O=C(CC1(CO)CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641089	0	37	-1.0	-50.29	292.22	0.84	-49.45
O=C(CC1(CO)CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641089	1	37	-1.0	-50.28	292.28	0.86	-49.42
CC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641090	0	33	-1.0	-39.12	275.48	4.35	-34.77
CC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641090	1	33	-1.0	-39.19	275.54	4.36	-34.83
CCC(CCOC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641091	0	39	-1.0	-55.75	303.35	2.30	-53.45
CCC(CCOC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641091	1	39	-1.0	-55.82	303.41	2.33	-53.49
CC1=NC(N)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641092	0	33	-1.0	-49.42	274.97	1.50	-47.92
CC1=NC(N)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641092	1	33	-1.0	-49.38	275.03	1.51	-47.87
O=C(C1=CC=C(F)C(O)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641093	1	31	-1.0	-40.72	266.66	0.36	-40.36
O=C(C1=CC=C(F)C(O)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641093	1	31	-1.0	-40.70	266.72	0.36	-40.34
O=C(C1=COC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641094	0	34	-1.0	-51.99	289.19	3.92	-48.07
O=C(C1=COC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641094	1	34	-1.0	-51.98	289.25	3.94	-48.04
CN1N=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641095	0	33	-1.0	-56.39	279.51	2.18	-54.21
CN1N=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641095	1	33	-1.0	-56.41	279.57	2.21	-54.20
CC1(C#CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCO1	REAL250004641096	0	36	-1.0	-56.28	304.09	3.24	-53.04
CC1(C#CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCO1	REAL250004641096	1	36	-1.0	-56.27	304.14	3.27	-53.00
O=C(C1CSC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641097	0	29	-1.0	-56.33	259.77	-0.63	-56.96
O=C(C1CSC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641097	1	29	-1.0	-56.31	259.83	-0.61	-56.92
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL250004641098	0	31	-1.0	-59.11	271.96	-2.70	-61.81
NC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL250004641098	1	31	-1.0	-59.12	272.02	-2.67	-61.79
CC1(C)C(O)CC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641099	0	40	-1.0	-52.42	314.41	1.44	-50.98
CC1(C)C(O)CC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641099	1	40	-1.0	-52.43	314.47	1.46	-50.97
O=C(C1=CC2(C1)CCOC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641100	0	36	-1.0	-53.09	290.71	2.57	-50.52
O=C(C1=CC2(C1)CCOC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641100	1	36	-1.0	-53.08	290.77	2.60	-50.48
O=C(C1=CC=NN1CCF)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641101	0	33	-1.0	-50.09	277.85	2.41	-47.68
O=C(C1=CC=NN1CCF)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641101	1	33	-1.0	-50.10	277.80	2.39	-47.71
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=CS1	REAL250004641102	0	32	-1.0	-53.75	277.25	3.05	-50.70
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=CS1	REAL250004641102	1	32	-1.0	-53.71	277.19	3.02	-50.69
O=C(C1=CN=C2SC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641103	0	30	-1.0	-55.46	267.06	3.15	-52.31
O=C(C1=CN=C2SC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641103	1	30	-1.0	-55.50	267.00	3.12	-52.38
CC1=NC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004641104	0	35	-1.0	-51.24	307.35	3.41	-47.83
CC1=NC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004641104	1	35	-1.0	-51.25	307.41	3.44	-47.81
CCCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641105	0	36	-1.0	-56.66	300.14	3.61	-53.05
CCCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641105	1	36	-1.0	-56.63	300.08	3.58	-53.05
O=C(C1=NC(F)=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641106	0	29	-1.0	-51.14	267.52	3.22	-47.92
O=C(C1=NC(F)=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641106	1	29	-1.0	-51.15	267.46	3.19	-47.96
O=C(CN1N=CC2=NC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641107	0	35	-1.0	-57.06	302.66	2.36	-54.70
O=C(CN1N=CC2=NC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641107	1	35	-1.0	-57.04	302.60	2.33	-54.71
CCC(C)N1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641108	0	39	-1.0	-51.40	309.80	3.61	-47.79
CCC(C)N1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641108	1	39	-1.0	-51.41	309.75	3.59	-47.82
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641109	0	32	-1.0	-47.77	268.53	2.99	-44.78
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641109	1	32	-1.0	-47.84	268.59	3.01	-44.83
CCN1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641110	0	34	-1.0	-53.70	276.10	3.99	-49.71
CCN1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641110	1	34	-1.0	-53.72	276.16	4.01	-49.71
CC1=C(O)C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004641111	0	37	-1.0	-53.33	297.92	2.04	-51.29
CC1=C(O)C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004641111	1	37	-1.0	-53.29	297.98	2.05	-51.24
CC(=CN1C=CN=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641112	0	33	-1.0	-50.38	284.55	2.40	-47.98
CC(=CN1C=CN=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641112	1	33	-1.0	-50.40	284.61	2.41	-47.99
O=C(C(F)=CC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641113	0	31	-1.0	-47.77	266.26	3.78	-43.99
O=C(C(F)=CC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641113	1	31	-1.0	-47.79	266.32	3.82	-43.97
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641114	0	34	-1.0	-49.39	283.82	4.34	-45.05
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641114	1	34	-1.0	-49.36	283.88	4.35	-45.01
O=C(C1=CC2=C(CCCC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641115	0	37	-1.0	-52.93	299.40	4.70	-48.23
O=C(C1=CC2=C(CCCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641115	1	37	-1.0	-52.95	299.45	4.73	-48.22
CC1=CC=C2C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CNC2=C1	REAL250004641116	0	37	-1.0	-61.93	303.79	4.30	-57.63
CC1=CC=C2C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CNC2=C1	REAL250004641116	1	37	-1.0	-61.92	303.74	4.28	-57.64
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N(C)C=N1	REAL250004641117	0	33	-1.0	-52.00	281.90	3.55	-48.45
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N(C)C=N1	REAL250004641117	1	33	-1.0	-52.01	281.95	3.57	-48.44
COC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641118	0	31	-1.0	-48.84	265.73	-1.69	-50.53
COC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641118	1	31	-1.0	-48.84	265.79	-1.67	-50.51
CC1CC(=O)NC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641119	0	34	-1.0	-56.85	281.20	0.13	-56.72
CC1CC(=O)NC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641119	1	34	-1.0	-56.87	281.25	0.15	-56.72
CCC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL250004641120	0	41	-1.0	-54.95	320.44	4.56	-50.39
CCC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL250004641120	1	41	-1.0	-54.95	320.50	4.58	-50.37
COCC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641121	0	33	-1.0	-48.25	285.29	0.97	-47.28
COCC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641121	1	33	-1.0	-48.30	285.35	1.02	-47.28
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL250004641122	0	32	-1.0	-48.91	281.73	2.82	-46.09
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL250004641122	1	32	-1.0	-48.96	281.67	2.80	-46.16
O=C(C1CC2(C1)CCOC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641123	0	38	-1.0	-52.90	301.42	2.79	-50.11
O=C(C1CC2(C1)CCOC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641123	1	38	-1.0	-52.96	301.48	2.81	-50.15
O=C(C1=CC=C2CCCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641124	0	36	-1.0	-54.51	294.01	4.56	-49.95
O=C(C1=CC=C2CCCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641124	1	36	-1.0	-54.52	294.07	4.59	-49.93
CC(C)(C)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641125	0	40	-1.0	-60.14	322.52	4.10	-56.04
CC(C)(C)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641125	1	40	-1.0	-60.13	322.58	4.12	-56.01
O=C(C1=COC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641126	0	37	-1.0	-56.25	294.93	4.39	-51.86
O=C(C1=COC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641126	1	37	-1.0	-56.26	294.98	4.41	-51.85
CCC1(CC)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641127	0	42	-1.0	-53.52	319.73	5.22	-48.30
CCC1(CC)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641127	1	42	-1.0	-53.49	319.79	5.25	-48.24
CC(C)(C)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641128	0	38	-1.0	-46.97	313.07	3.78	-43.19
CC(C)(C)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641128	1	38	-1.0	-46.99	313.01	3.75	-43.24
CC1=NC2=NC=NN2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641129	0	34	-1.0	-53.94	297.61	5.30	-48.64
CC1=NC2=NC=NN2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641129	1	34	-1.0	-53.94	297.67	5.31	-48.63
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[C@@H]21	REAL250004641130	0	40	-1.0	-56.19	303.44	5.04	-51.15
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[C@@H]21	REAL250004641130	1	40	-1.0	-56.22	303.50	5.06	-51.16
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641131	0	36	-1.0	-56.93	301.62	4.15	-52.78
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641131	1	36	-1.0	-56.93	301.67	4.17	-52.76
COC1=CC=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641132	0	33	-1.0	-56.43	275.08	1.95	-54.48
COC1=CC=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641132	1	33	-1.0	-56.48	275.14	1.96	-54.52
CC(=O)OCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641133	0	35	-1.0	-54.63	297.73	3.44	-51.19
CC(=O)OCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641133	1	35	-1.0	-54.61	297.78	3.46	-51.15
CC(=O)NC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641134	0	42	-1.0	-48.17	325.73	1.84	-46.33
CC(=O)NC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641134	1	42	-1.0	-48.17	325.79	1.85	-46.32
CC1=C(C)OC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641135	0	38	-1.0	-52.81	317.78	1.55	-51.26
CC1=C(C)OC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641135	1	38	-1.0	-52.83	317.84	1.57	-51.26
O=C(C1=CC=CC2=C1CNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641136	0	35	-1.0	-52.14	293.16	0.99	-51.15
O=C(C1=CC=CC2=C1CNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641136	1	35	-1.0	-52.15	293.22	1.00	-51.15
O=C(C1=CN(C2COC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641137	0	34	-1.0	-50.08	288.76	-0.39	-50.47
O=C(C1=CN(C2COC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641137	1	34	-1.0	-50.07	288.71	-0.41	-50.48
O=C(C1=NN(CCF)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641138	0	33	-1.0	-55.55	285.23	2.99	-52.56
O=C(C1=NN(CCF)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641138	1	33	-1.0	-55.54	285.17	2.96	-52.58
O=C(CCC1=CC=C(F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641139	0	35	-1.0	-50.65	301.96	3.66	-46.99
O=C(CCC1=CC=C(F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641139	1	35	-1.0	-50.68	301.90	3.64	-47.04
CC1=NC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004641140	0	32	-1.0	-54.55	285.94	2.64	-51.91
CC1=NC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004641140	1	32	-1.0	-54.52	285.99	2.67	-51.85
O=C(C1=CN=C2CCCCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641141	0	38	-1.0	-52.43	306.53	3.26	-49.17
O=C(C1=CN=C2CCCCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641141	1	38	-1.0	-52.36	306.59	3.29	-49.07
CC1=C(C)NC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641142	0	37	-1.0	-53.83	312.26	3.19	-50.64
CC1=C(C)NC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641142	1	37	-1.0	-53.82	312.31	3.21	-50.61
CS(C)(=O)=NC(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641143	0	32	-1.0	-66.19	283.54	-1.67	-67.86
CS(C)(=O)=NC(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641143	1	32	-1.0	-66.13	283.60	-1.65	-67.78
O=C(C#CC1CCC(=O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641144	0	37	-1.0	-54.82	308.82	4.49	-50.33
O=C(C#CC1CCC(=O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641144	1	37	-1.0	-54.82	308.87	4.52	-50.30
CC(C(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)F	REAL250004641145	0	32	-1.0	-48.63	275.23	3.31	-45.32
CC(C(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)F	REAL250004641145	1	32	-1.0	-48.67	275.28	3.33	-45.34
CC1=CNC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641146	0	36	-1.0	-54.39	302.03	2.74	-51.65
CC1=CNC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641146	1	36	-1.0	-54.36	302.09	2.76	-51.60
CCCC(CC)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641148	0	41	-1.0	-51.53	315.25	5.09	-46.44
CCCC(CC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641148	1	41	-1.0	-51.54	315.31	5.12	-46.42
O=C(C1=COC2=C1CSC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641149	0	32	-1.0	-54.26	281.19	3.32	-50.94
O=C(C1=COC2=C1CSC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641149	1	32	-1.0	-54.26	281.25	3.34	-50.92
CC1=CC=C2OC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL250004641150	0	36	-1.0	-59.24	299.69	4.69	-54.55
CC1=CC=C2OC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL250004641150	1	36	-1.0	-59.19	299.63	4.67	-54.52
CC1=CC=C2C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=COC2=C1	REAL250004641151	0	36	-1.0	-56.12	303.06	4.76	-51.36
CC1=CC=C2C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=COC2=C1	REAL250004641151	1	36	-1.0	-56.11	303.00	4.75	-51.36
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641152	0	38	-1.0	-59.58	309.92	-1.07	-60.65
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641152	1	38	-1.0	-59.59	309.98	-1.04	-60.63
O=C(C1C(F)(F)C12CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641153	0	31	-1.0	-49.45	275.18	4.05	-45.40
O=C(C1C(F)(F)C12CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641153	1	31	-1.0	-49.49	275.24	4.07	-45.42
O=C(C(F)C1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641154	0	33	-1.0	-50.75	288.40	4.71	-46.04
O=C(C(F)C1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641154	1	33	-1.0	-50.77	288.45	4.72	-46.05
C=CCOC(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641155	0	35	-1.0	-48.95	303.52	0.25	-48.70
C=CCOC(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641155	1	35	-1.0	-48.99	303.57	0.28	-48.71
COCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC=C1	REAL250004641156	0	34	-1.0	-52.25	288.18	1.83	-50.42
COCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC=C1	REAL250004641156	1	34	-1.0	-52.25	288.24	1.85	-50.40
O=C(C1=CN(CCCF)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641157	0	35	-1.0	-53.53	302.33	2.29	-51.24
O=C(C1=CN(CCCF)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641157	1	35	-1.0	-53.51	302.27	2.26	-51.25
O=C(C1CC2C=CCC(C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641158	0	41	-1.0	-52.36	266.28	5.02	-47.34
O=C(C1CC2C=CCC(C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641158	1	41	-1.0	-52.42	266.32	5.02	-47.40
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641159	0	33	-1.0	-43.67	269.74	0.46	-43.21
COC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641159	1	33	-1.0	-43.66	269.68	0.45	-43.21
O=C(C[C@H]1COC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641160	0	32	-1.0	-54.41	270.40	-0.90	-55.31
O=C(C[C@H]1COC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641160	1	32	-1.0	-54.40	270.46	-0.87	-55.27
O=C(CC1=CC=NC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641161	0	32	-1.0	-50.65	288.51	3.32	-47.33
O=C(CC1=CC=NC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641161	1	32	-1.0	-50.64	288.57	3.34	-47.30
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641162	0	35	-1.0	-52.71	295.11	1.25	-51.46
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641162	1	35	-1.0	-52.67	295.05	1.22	-51.45
O=C(COC1CCCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641163	0	38	-1.0	-54.95	306.76	2.31	-52.64
O=C(COC1CCCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641163	1	38	-1.0	-54.92	306.82	2.34	-52.58
CC(C)(C)C1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641164	0	45	-1.0	-51.11	323.39	5.16	-45.95
CC(C)(C)C1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641164	1	45	-1.0	-51.14	323.44	5.18	-45.96
CC(C)NC(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641165	0	33	-1.0	-45.91	275.79	0.17	-45.74
CC(C)NC(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641165	1	33	-1.0	-45.93	275.84	0.19	-45.74
CC1=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004641166	0	39	-1.0	-55.98	323.02	3.62	-52.36
CC1=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004641166	1	39	-1.0	-55.95	323.08	3.64	-52.31
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL250004641167	0	30	-1.0	-51.73	263.79	1.94	-49.79
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL250004641167	1	30	-1.0	-51.73	263.73	1.91	-49.82
CC1(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(F)F	REAL250004641168	0	33	-1.0	-47.92	276.27	3.73	-44.19
CC1(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(F)F	REAL250004641168	1	33	-1.0	-47.91	276.33	3.76	-44.15
O=C(C(F)CC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641169	0	33	-1.0	-49.55	277.49	3.97	-45.58
O=C(C(F)CC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641169	1	33	-1.0	-49.57	277.55	3.99	-45.58
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641170	0	35	-1.0	-45.65	286.37	0.52	-45.13
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641170	1	35	-1.0	-45.68	286.43	0.52	-45.16
O=C(C1=NC=C(Cl)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641171	0	28	-1.0	-53.72	260.97	2.44	-51.28
O=C(C1=NC=C(Cl)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641171	1	28	-1.0	-53.74	260.91	2.42	-51.32
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)S(N)(=O)=O	REAL250004641172	0	31	-1.0	-64.30	269.65	-3.32	-67.62
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)S(N)(=O)=O	REAL250004641172	1	31	-1.0	-64.32	269.71	-3.30	-67.62
CC1=CNC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641173	0	34	-1.0	-53.87	292.54	2.69	-51.18
CC1=CNC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641173	1	34	-1.0	-53.82	292.60	2.72	-51.10
O=C(C(O)C1CCCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641174	0	43	-1.0	-51.99	314.41	2.98	-49.01
O=C(C(O)C1CCCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641174	1	43	-1.0	-52.02	314.47	2.99	-49.03
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL250004641175	0	39	-1.0	-51.61	304.91	5.10	-46.51
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004641175	1	39	-1.0	-51.64	304.96	5.12	-46.52
O=C(C1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641176	0	38	-1.0	-55.02	304.45	3.63	-51.39
O=C(C1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641176	1	38	-1.0	-55.03	304.51	3.66	-51.37
O=C(C1=CC2(C1)CCOCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641177	0	39	-1.0	-53.46	310.08	3.46	-50.00
O=C(C1=CC2(C1)CCOCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641177	1	39	-1.0	-53.50	310.13	3.48	-50.02
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CC=N1	REAL250004641178	0	36	-1.0	-48.44	297.73	3.02	-45.42
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CC=N1	REAL250004641178	1	36	-1.0	-48.44	297.67	3.00	-45.44
O=C(C1CC2(CC(=O)N2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641179	0	35	-1.0	-52.20	291.13	-0.17	-52.37
O=C(C1CC2(CC(=O)N2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641179	1	35	-1.0	-52.23	291.19	-0.14	-52.37
O=C(C1CCC2=NN=NN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641180	0	35	-1.0	-51.22	284.16	1.40	-49.82
O=C(C1CCC2=NN=NN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641180	1	35	-1.0	-51.16	284.22	1.43	-49.73
O=C(CCOC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641181	0	34	-1.0	-49.87	285.12	2.51	-47.36
O=C(CCOC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641181	1	34	-1.0	-49.90	285.18	2.53	-47.37
COCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641182	0	34	-1.0	-54.35	283.40	-0.01	-54.36
COCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641182	1	34	-1.0	-54.38	283.34	-0.02	-54.40
CC1=C(C)NC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641183	0	39	-1.0	-54.42	321.69	3.27	-51.15
CC1=C(C)NC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641183	1	39	-1.0	-54.40	321.74	3.30	-51.10
O=C(CN1N=NN=C1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641184	0	35	-1.0	-57.04	301.04	2.54	-54.50
O=C(CN1N=NN=C1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641184	1	35	-1.0	-57.05	301.10	2.56	-54.49
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1CCO	REAL250004641185	0	36	-1.0	-52.65	297.65	-2.12	-54.77
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1CCO	REAL250004641185	1	36	-1.0	-52.61	297.59	-2.14	-54.75
CCN1C=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641186	0	33	-1.0	-57.05	293.75	3.38	-53.67
CCN1C=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641186	1	33	-1.0	-57.04	293.69	3.35	-53.69
CC1(C)OC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641187	0	35	-1.0	-54.94	286.99	1.95	-52.99
CC1(C)OC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641187	1	35	-1.0	-54.99	287.05	1.98	-53.01
O=C(C=CC1=CC=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641188	0	32	-1.0	-51.76	280.59	3.44	-48.32
O=C(C=CC1=CC=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641188	1	32	-1.0	-51.77	280.65	3.47	-48.30
CC(C)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL250004641189	0	35	-1.0	-50.75	294.83	1.43	-49.32
CC(C)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL250004641189	1	35	-1.0	-50.75	294.89	1.45	-49.30
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCOCC1	REAL250004641190	0	43	-1.0	-51.97	328.18	3.51	-48.46
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCOCC1	REAL250004641190	1	43	-1.0	-51.97	328.23	3.51	-48.46
N#C[C@@]1(O)C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641191	0	32	-1.0	-52.80	276.71	-0.19	-52.99
N#C[C@@]1(O)C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641191	1	32	-1.0	-52.77	276.77	-0.16	-52.93
O=C(CCC1CCC(=O)NC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641192	0	40	-1.0	-55.15	318.75	1.65	-53.50
O=C(CCC1CCC(=O)NC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641192	1	40	-1.0	-55.12	318.81	1.68	-53.44
O=C(C(F)CC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641193	0	39	-1.0	-49.82	308.45	4.98	-44.84
O=C(C(F)CC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641193	1	39	-1.0	-49.81	308.51	5.01	-44.80
O=C(C1CC2(C1)CCCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641194	0	38	-1.0	-50.51	302.18	3.02	-47.49
O=C(C1CC2(C1)CCCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641194	1	38	-1.0	-50.46	302.24	3.04	-47.42
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641195	0	35	-1.0	-59.13	292.96	1.02	-58.11
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641195	1	35	-1.0	-59.16	293.02	1.05	-58.11
NC(=O)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641196	0	30	-1.0	-49.26	269.28	-2.03	-51.29
NC(=O)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641196	1	30	-1.0	-49.23	269.22	-2.05	-51.28
COC1C[C@@H]2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[C@H]12	REAL250004641197	0	41	-1.0	-54.54	315.84	3.65	-50.89
COC1C[C@@H]2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[C@H]12	REAL250004641197	1	41	-1.0	-54.49	315.90	3.67	-50.82
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C2O1	REAL250004641198	0	36	-1.0	-57.75	300.24	4.71	-53.04
CC1=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C2O1	REAL250004641198	1	36	-1.0	-57.68	300.19	4.69	-52.99
O=C([C@H]1CCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641199	0	37	-1.0	-55.23	301.95	5.61	-49.62
O=C([C@H]1CCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641199	1	37	-1.0	-55.25	302.01	5.62	-49.63
O=C(C1=C2C=CN=C2NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641200	0	33	-1.0	-57.76	284.42	3.20	-54.56
O=C(C1=C2C=CNC2=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641200	1	33	-1.0	-56.91	277.59	2.86	-54.05
O=C(C1=C2C=CN=C2NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641200	1	33	-1.0	-57.80	284.36	3.18	-54.62
O=C(C1=C2C=CNC2=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641200	1	33	-1.0	-56.91	277.53	2.84	-54.07
O=C(C1CCC2(CCC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641201	0	43	-1.0	-53.71	319.95	5.56	-48.15
O=C(C1CCC2(CCC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641201	1	43	-1.0	-53.72	320.01	5.58	-48.14
O=C(C1=C2C=CSC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641202	0	33	-1.0	-54.86	286.72	4.91	-49.95
O=C(C1=C2C=CSC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641202	1	33	-1.0	-54.84	286.66	4.89	-49.95
O=C(C1=CC=C2C=CSC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641203	0	33	-1.0	-41.40	281.22	4.39	-37.01
O=C(C1=CC=C2C=CSC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641203	1	33	-1.0	-41.39	281.16	4.39	-37.00
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=N1	REAL250004641204	0	36	-1.0	-53.58	299.42	0.88	-52.70
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=N1	REAL250004641204	1	36	-1.0	-53.64	299.47	0.91	-52.73
COCCC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641205	0	42	-1.0	-50.22	320.33	3.13	-47.09
COCCC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641205	1	42	-1.0	-50.22	320.38	3.15	-47.07
O=C(C1=COC(C(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641206	0	29	-1.0	-51.25	265.53	0.35	-50.90
O=C(C1=COC(C(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641206	1	29	-1.0	-51.29	265.59	0.38	-50.91
CCSC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641207	0	33	-1.0	-54.06	279.81	3.46	-50.60
CCSC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641207	1	33	-1.0	-54.07	279.87	3.49	-50.58
O=C(CC1COCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641208	0	35	-1.0	-55.91	284.26	1.62	-54.29
O=C(CC1COCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641208	1	35	-1.0	-55.91	284.31	1.64	-54.27
CCC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641209	0	39	-1.0	-53.79	303.02	4.67	-49.12
CCC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641209	1	39	-1.0	-53.78	303.08	4.69	-49.09
CC(C)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)(F)F	REAL250004641210	0	38	-1.0	-47.54	296.18	4.14	-43.40
CC(C)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)(F)F	REAL250004641210	1	38	-1.0	-47.52	296.24	4.16	-43.36
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(F)F	REAL250004641211	0	32	-1.0	-52.95	268.41	3.27	-49.68
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(F)F	REAL250004641211	1	32	-1.0	-52.96	268.47	3.30	-49.66
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)C=N1	REAL250004641212	0	35	-1.0	-50.73	286.54	3.01	-47.72
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)C=N1	REAL250004641212	1	35	-1.0	-50.72	286.60	3.03	-47.69
O=C(C1CCCC2=CC=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641213	0	37	-1.0	-53.49	299.59	3.20	-50.29
O=C(C1CCCC2=CC=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641213	1	37	-1.0	-53.51	299.65	3.22	-50.29
O=C(C1=CN=C2CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641214	0	36	-1.0	-54.16	291.05	3.64	-50.52
O=C(C1=CN=C2CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641214	1	36	-1.0	-54.20	291.11	3.66	-50.54
CC1=NC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641215	0	38	-1.0	-48.47	312.07	3.79	-44.68
CC1=NC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641215	1	38	-1.0	-48.47	312.13	3.81	-44.66
CC1(C)CCOC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641216	0	40	-1.0	-56.16	309.51	3.54	-52.62
CC1(C)CCOC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641216	1	40	-1.0	-56.12	309.57	3.56	-52.56
CC1=NN=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1C	REAL250004641217	0	38	-1.0	-59.61	316.00	4.30	-55.31
CC1=NN=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1C	REAL250004641217	1	38	-1.0	-59.66	316.06	4.33	-55.33
CCC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=N1	REAL250004641218	0	37	-1.0	-48.33	302.36	2.68	-45.65
CCC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=N1	REAL250004641218	1	37	-1.0	-48.32	302.42	2.71	-45.61
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641219	0	41	-1.0	-55.07	308.61	3.26	-51.81
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641219	1	41	-1.0	-55.09	308.66	3.29	-51.80
O=C(C1=CC=NC2=NC=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641220	0	33	-1.0	-61.00	281.80	1.35	-59.65
O=C(C1=CC=NC2=NC=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641220	1	33	-1.0	-60.98	281.74	1.33	-59.65
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641221	0	37	-1.0	-58.21	291.86	4.59	-53.62
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641221	1	37	-1.0	-58.23	291.92	4.62	-53.61
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC(C)=N1	REAL250004641222	0	34	-1.0	-50.38	287.11	3.07	-47.31
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC(C)=N1	REAL250004641222	1	34	-1.0	-50.38	287.16	3.09	-47.29
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NS1	REAL250004641223	0	29	-1.0	-48.66	256.95	1.98	-46.68
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NS1	REAL250004641223	1	29	-1.0	-48.66	257.01	2.00	-46.66
O=C(C=CC1=CN=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641224	0	32	-1.0	-53.30	280.46	1.78	-51.52
O=C(C=CC1=CN=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641224	1	32	-1.0	-53.31	280.52	1.80	-51.51
CCCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004641225	0	35	-1.0	-52.60	303.59	3.67	-48.93
CCCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004641225	1	35	-1.0	-52.66	303.65	3.70	-48.96
CC1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL250004641226	0	33	-1.0	-46.67	299.50	2.70	-43.97
CC1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL250004641226	1	33	-1.0	-46.66	299.56	2.72	-43.94
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004641227	0	40	-1.0	-53.06	319.23	4.30	-48.76
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004641227	1	40	-1.0	-53.09	319.28	4.31	-48.78
O=C(C1=CN=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641228	0	29	-1.0	-46.25	258.30	1.78	-44.47
O=C(C1=CN=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641228	1	29	-1.0	-46.26	258.24	1.75	-44.51
COC(=O)C(OC)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641229	0	33	-1.0	-57.67	278.69	2.17	-55.50
COC(=O)C(OC)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641229	1	33	-1.0	-57.66	278.74	2.19	-55.47
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641230	0	36	-1.0	-59.46	300.56	4.02	-55.44
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641230	1	36	-1.0	-59.43	300.61	4.04	-55.39
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1	REAL250004641231	0	39	-1.0	-54.31	316.88	3.56	-50.75
CC(C)(C)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1	REAL250004641231	1	39	-1.0	-54.33	316.93	3.58	-50.75
O=C([C@@H]1CCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641232	0	37	-1.0	-53.78	300.80	5.65	-48.13
O=C([C@@H]1CCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641232	1	37	-1.0	-53.73	300.86	5.67	-48.06
CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL250004641233	0	36	-1.0	-42.54	290.67	2.82	-39.72
CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004641233	1	36	-1.0	-42.59	290.74	2.82	-39.77
O=C(C1=CC=C2CCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641234	0	35	-1.0	-54.22	286.61	3.39	-50.83
O=C(C1=CC=C2CCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641234	1	35	-1.0	-54.21	286.67	3.41	-50.80
COC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1F	REAL250004641235	0	33	-1.0	-61.93	282.72	2.16	-59.77
COC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1F	REAL250004641235	1	33	-1.0	-61.90	282.66	2.14	-59.76
N#CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641236	0	31	-1.0	-65.79	278.06	2.58	-63.21
N#CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641236	1	31	-1.0	-65.80	278.00	2.56	-63.24
O=C(CC1C[C@@H]2COC[C@H]12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641237	0	38	-1.0	-50.99	296.43	2.91	-48.08
O=C(CC1C[C@@H]2COC[C@H]12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641237	1	38	-1.0	-50.98	296.49	2.93	-48.05
O=C(CN1N=NC(C2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641238	0	35	-1.0	-59.92	303.00	2.19	-57.73
O=C(CN1N=NC(C2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641238	1	35	-1.0	-59.89	303.06	2.21	-57.68
CCN1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641239	0	32	-1.0	-61.01	273.54	3.72	-57.29
CCN1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641239	1	32	-1.0	-61.01	273.48	3.69	-57.32
N#CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641240	0	31	-1.0	-56.83	270.79	1.96	-54.87
N#CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641240	1	31	-1.0	-56.88	270.74	1.94	-54.94
CC(C)CC(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641241	0	35	-1.0	-52.94	282.36	3.67	-49.27
CC(C)CC(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641241	1	35	-1.0	-52.94	282.42	3.70	-49.24
C=C(Cl)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641242	0	30	-1.0	-51.05	270.55	3.55	-47.50
C=C(Cl)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641242	1	30	-1.0	-51.09	270.61	3.57	-47.52
CC(CC1CCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641243	0	39	-1.0	-53.18	301.00	4.80	-48.38
CC(CC1CCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641243	1	39	-1.0	-53.22	301.06	4.83	-48.39
O=C(CCCC1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641244	0	39	-1.0	-52.17	310.40	5.32	-46.85
O=C(CCCC1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641244	1	39	-1.0	-52.15	310.45	5.34	-46.81
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004641245	0	35	-1.0	-51.86	281.52	2.45	-49.41
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004641245	1	35	-1.0	-51.85	281.46	2.43	-49.42
NC1=CC=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641246	0	32	-1.0	-49.59	280.21	2.17	-47.42
NC1=CC=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641246	1	32	-1.0	-49.56	280.27	2.19	-47.37
NC1=C(Cl)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641247	0	32	-1.0	-48.74	279.18	2.32	-46.42
NC1=C(Cl)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641247	1	32	-1.0	-48.74	279.24	2.35	-46.39
NC1=CC(F)=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641248	0	32	-1.0	-46.61	277.42	1.86	-44.75
NC1=CC(F)=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641248	1	32	-1.0	-46.61	277.48	1.87	-44.74
NC1=C(F)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641249	0	32	-1.0	-49.18	270.26	1.83	-47.35
NC1=C(F)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641249	1	32	-1.0	-49.21	270.31	1.86	-47.35
CC1=CC=C(F)C(N)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641250	0	35	-1.0	-50.31	297.10	2.35	-47.96
CC1=CC=C(F)C(N)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641250	1	35	-1.0	-50.31	297.15	2.37	-47.94
CC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004641251	0	35	-1.0	-49.60	289.00	2.59	-47.01
CC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004641251	1	35	-1.0	-49.58	289.05	2.60	-46.98
CC1=C(F)C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004641252	0	35	-1.0	-47.61	287.91	2.55	-45.06
CC1=C(F)C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004641252	1	35	-1.0	-47.63	287.97	2.57	-45.06
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(N)C=C1F	REAL250004641253	0	35	-1.0	-47.52	291.36	2.45	-45.07
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(N)C=C1F	REAL250004641253	1	35	-1.0	-47.54	291.42	2.46	-45.08
CC1=C(F)C=CC(N)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641254	0	35	-1.0	-47.62	296.94	2.28	-45.34
CC1=C(F)C=CC(N)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641254	1	35	-1.0	-47.65	297.00	2.31	-45.34
O=C(CC1=CC=C(O)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641255	0	33	-1.0	-55.77	283.73	0.19	-55.58
O=C(CC1=CC=C(O)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641255	1	33	-1.0	-55.80	283.78	0.22	-55.58
C=CN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641256	0	31	-1.0	-52.80	262.29	2.44	-50.36
C=CN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641256	1	31	-1.0	-52.76	262.23	2.43	-50.33
O=C(NC1=NC=CN1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641258	0	31	-1.0	-46.93	267.99	1.69	-45.24
O=C(NC1=NC=CN1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641258	1	31	-1.0	-47.00	267.93	1.67	-45.33
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL250004641259	1	40	-1.0	-52.66	310.74	3.85	-48.81
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL250004641259	1	40	-1.0	-52.61	310.80	3.87	-48.74
O=C(C(F)=CC1=CNC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641260	0	31	-1.0	-55.72	272.13	3.09	-52.63
O=C(C(F)=CC1=CNC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641260	1	31	-1.0	-55.69	272.19	3.11	-52.58
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004641261	0	32	-1.0	-60.92	271.55	2.62	-58.30
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004641261	1	32	-1.0	-60.90	271.60	2.64	-58.26
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004641262	0	34	-1.0	-54.30	280.28	3.24	-51.06
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004641262	1	34	-1.0	-54.32	280.34	3.25	-51.07
O=C(C=CCOC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641263	0	38	-1.0	-55.06	321.45	4.86	-50.20
O=C(C=CCOC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641263	1	38	-1.0	-55.07	321.51	4.88	-50.19
O=C(CC1CC(=O)NC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641264	0	36	-1.0	-59.43	298.22	0.24	-59.19
O=C(CC1CC(=O)NC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641264	1	36	-1.0	-59.39	298.28	0.26	-59.13
CN1NC(=O)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641265	0	31	-1.0	-49.58	264.77	-0.56	-50.14
CN1NC(=O)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641265	1	31	-1.0	-49.57	264.83	-0.54	-50.11
O=C(C1=CC=NC2=NNC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641266	0	32	-1.0	-43.85	265.54	1.09	-42.76
O=C(C1=CC=NC2=NNC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641266	1	32	-1.0	-43.80	265.47	1.08	-42.72
O=C(CC1=CC=CC(F)=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641267	0	34	-1.0	-53.42	295.31	1.95	-51.47
O=C(CC1=CC=CC(F)=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641267	1	34	-1.0	-53.43	295.37	1.97	-51.46
CN1C(=S)NN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641268	0	30	-1.0	-44.77	268.99	2.87	-41.90
CN1C(=S)NN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641268	1	30	-1.0	-44.76	269.05	2.89	-41.87
O=C(C1=CC2=CNN=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641269	0	30	-1.0	-55.37	268.73	1.37	-54.00
O=C(C1=CC2=CNN=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641269	1	30	-1.0	-55.35	268.79	1.39	-53.96
CCC1(C)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641270	0	37	-1.0	-53.93	294.99	4.62	-49.31
CCC1(C)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641270	1	37	-1.0	-53.93	295.04	4.64	-49.29
O=C(C[C@@H]1CCC[C@H]1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641271	0	37	-1.0	-56.49	293.61	0.98	-55.51
O=C(C[C@@H]1CCC[C@H]1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641271	1	37	-1.0	-56.49	293.67	1.00	-55.49
O=C(C[C@@H]1COC[C@H]1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641272	0	35	-1.0	-58.35	284.49	-1.60	-59.95
O=C(C[C@@H]1COC[C@H]1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641272	1	35	-1.0	-58.35	284.54	-1.57	-59.92
CC1=NC=C2C=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN21	REAL250004641273	1	36	-1.0	-50.96	307.67	5.09	-45.87
C#CC[C@]1(O)C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641274	0	36	-1.0	-54.20	301.50	1.49	-52.71
C#CC[C@]1(O)C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641274	1	36	-1.0	-54.21	301.55	1.52	-52.69
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641275	0	33	-1.0	-52.95	297.52	3.63	-49.32
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641275	1	33	-1.0	-52.95	297.58	3.65	-49.30
O=C(CC1CCC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641276	0	35	-1.0	-56.84	285.79	3.42	-53.42
O=C(CC1CCC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641276	1	35	-1.0	-56.84	285.85	3.44	-53.40
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CN=C1	REAL250004641277	0	36	-1.0	-54.27	294.45	4.42	-49.85
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CN=C1	REAL250004641277	1	36	-1.0	-54.27	294.51	4.43	-49.84
CCC(F)(F)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641278	0	32	-1.0	-58.65	271.04	3.36	-55.29
CCC(F)(F)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641278	1	32	-1.0	-58.68	271.09	3.39	-55.29
O=C(C1CCC2(C1)N=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641279	0	33	-1.0	-56.87	272.90	-1.89	-58.76
O=C(C1CCC2(C1)N=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641279	1	33	-1.0	-56.83	272.96	-1.86	-58.69
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641280	0	36	-1.0	-55.71	298.63	5.65	-50.06
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641280	1	36	-1.0	-55.70	298.57	5.63	-50.07
CCN1CCOCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641281	0	42	-1.0	-53.71	320.78	0.69	-53.02
CCN1CCOCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641281	1	42	-1.0	-53.79	320.84	0.71	-53.08
O=C(C1=CN=C2OC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641282	0	32	-1.0	-54.55	272.89	0.86	-53.69
O=C(C1=CN=C2OC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641282	1	32	-1.0	-54.53	272.83	0.84	-53.69
C=CCC(C)(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641283	0	39	-1.0	-50.40	301.59	4.67	-45.73
C=CCC(C)(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641283	1	39	-1.0	-50.42	301.64	4.70	-45.72
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)OC	REAL250004641284	0	36	-1.0	-51.72	287.92	2.93	-48.79
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)OC	REAL250004641284	1	36	-1.0	-51.70	287.98	2.95	-48.75
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641285	0	43	-1.0	-54.42	335.74	4.03	-50.39
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641285	1	43	-1.0	-54.45	335.80	4.06	-50.39
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCC1	REAL250004641286	0	42	-1.0	-51.79	319.04	5.56	-46.23
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC1	REAL250004641286	1	42	-1.0	-51.76	319.09	5.58	-46.18
CC1=NC=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641287	0	36	-1.0	-54.38	300.99	3.89	-50.49
CC1=NC=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641287	1	36	-1.0	-54.36	301.05	3.91	-50.45
CC1=CN=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641288	0	36	-1.0	-53.03	301.09	3.91	-49.12
CC1=CN=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641288	1	36	-1.0	-53.02	301.15	3.93	-49.09
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL250004641289	0	36	-1.0	-51.55	293.17	1.19	-50.36
COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL250004641289	1	36	-1.0	-51.59	293.11	1.16	-50.43
CC(=CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641290	0	34	-1.0	-53.97	283.32	4.14	-49.83
CC(=CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641290	1	34	-1.0	-53.99	283.37	4.15	-49.84
O=C(C1CC2CCC(C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641291	0	40	-1.0	-57.45	261.48	4.87	-52.58
O=C(C1CC2CCC(C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641291	1	40	-1.0	-57.43	261.54	4.89	-52.54
CC1(C)C(=O)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641292	0	35	-1.0	-49.01	282.21	2.88	-46.13
CC1(C)C(=O)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641292	1	35	-1.0	-49.05	282.26	2.91	-46.14
CCCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC=N1	REAL250004641293	0	35	-1.0	-51.66	291.64	0.86	-50.80
CCCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC=N1	REAL250004641293	1	35	-1.0	-51.67	291.70	0.89	-50.78
CC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641294	0	35	-1.0	-53.66	286.05	4.00	-49.66
CC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641294	1	35	-1.0	-53.72	286.10	4.03	-49.69
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641295	0	36	-1.0	-54.51	296.40	2.28	-52.23
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641295	1	36	-1.0	-54.54	296.34	2.25	-52.29
CCCC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641296	0	42	-1.0	-52.73	343.62	6.89	-45.84
CCCC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641296	1	42	-1.0	-52.73	343.68	6.92	-45.81
O=C(C1=CNC(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641297	0	27	-1.0	-50.84	251.54	1.69	-49.15
O=C(C1=CNC(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641297	1	27	-1.0	-50.85	251.60	1.72	-49.13
C=CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL250004641298	0	41	-1.0	-49.78	307.35	3.11	-46.67
C=CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL250004641298	1	41	-1.0	-49.78	307.40	3.13	-46.65
O=C(C1=C2C=CNC2=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641299	0	33	-1.0	-58.82	276.98	1.75	-57.07
O=C(C1=C2C=CNC2=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641299	1	33	-1.0	-58.88	276.92	1.73	-57.15
CN1N=NC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641300	0	32	-1.0	-44.74	281.99	0.89	-43.85
CN1N=NC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641300	1	32	-1.0	-44.70	281.93	0.86	-43.84
O=CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004641301	0	33	-1.0	-58.17	287.73	1.97	-56.20
O=CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004641301	1	33	-1.0	-58.18	287.79	2.00	-56.18
O=C(C1=CC=CN2C=NN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641302	0	32	-1.0	-65.95	280.92	5.20	-60.75
O=C(C1=CC=CN2C=NN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641302	1	32	-1.0	-65.99	280.87	5.19	-60.80
CCCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004641303	0	37	-1.0	-53.18	302.33	4.03	-49.15
CCCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004641303	1	37	-1.0	-53.17	302.39	4.06	-49.11
N#CC1CCCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641304	0	40	-1.0	-52.65	319.26	5.22	-47.43
N#CC1CCCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641304	1	40	-1.0	-52.70	319.31	5.25	-47.45
O=C(CCC1=NC=C(F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641305	0	34	-1.0	-51.88	297.07	2.74	-49.14
O=C(CCC1=NC=C(F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641305	1	34	-1.0	-51.91	297.13	2.76	-49.15
O=C(C1=CN=CC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641306	0	39	-1.0	-52.31	306.20	4.17	-48.14
O=C(C1=CN=CC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641306	1	39	-1.0	-52.34	306.26	4.19	-48.15
CC1=CC=CN2N=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C12	REAL250004641307	0	36	-1.0	-56.57	295.38	4.03	-52.54
CC1=CC=CN2N=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C12	REAL250004641307	1	36	-1.0	-56.57	295.32	4.00	-52.57
O=C(C1=CC=CC2=CN=NN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641308	0	32	-1.0	-61.13	280.46	2.26	-58.87
O=C(C1=CC=CC2=CN=NN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641308	1	32	-1.0	-61.12	280.40	2.24	-58.88
CC1=C2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CN2N=C1	REAL250004641309	0	35	-1.0	-50.72	297.89	4.10	-46.62
CC1=C2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CN2N=C1	REAL250004641309	1	35	-1.0	-50.70	297.83	4.08	-46.62
COC(=O)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641310	0	32	-1.0	-60.09	266.27	3.00	-57.09
COC(=O)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641310	1	32	-1.0	-60.10	266.33	3.02	-57.08
O=C(C1=CC=C(C(F)F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641311	0	32	-1.0	-51.74	280.89	3.60	-48.14
O=C(C1=CC=C(C(F)F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641311	1	32	-1.0	-51.75	280.83	3.57	-48.18
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641312	0	35	-1.0	-56.39	290.03	3.20	-53.19
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641312	1	35	-1.0	-56.37	290.08	3.23	-53.14
CC1=CC=CN=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641313	0	36	-1.0	-53.94	303.25	4.16	-49.78
CC1=CC=CN=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641313	1	36	-1.0	-53.99	303.31	4.18	-49.81
CCC1=CSC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641314	0	33	-1.0	-51.89	279.34	4.01	-47.88
CCC1=CSC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641314	1	33	-1.0	-51.91	279.40	4.02	-47.89
CC(C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641315	0	39	-1.0	-55.06	306.69	4.85	-50.21
CC(C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641315	1	39	-1.0	-55.06	306.75	4.88	-50.18
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NNC1=O	REAL250004641316	0	32	-1.0	-47.73	273.67	0.35	-47.38
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NNC1=O	REAL250004641316	1	32	-1.0	-47.79	273.72	0.38	-47.41
O=C(C1=C2C=CC=CN2N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641317	0	32	-1.0	-58.24	275.27	2.57	-55.67
O=C(C1=C2C=CC=CN2N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641317	1	32	-1.0	-58.20	275.21	2.56	-55.64
CC1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1C	REAL250004641318	0	45	-1.0	-52.62	330.11	5.79	-46.83
CC1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1C	REAL250004641318	1	45	-1.0	-52.64	330.16	5.82	-46.82
O=C(C1=NC=CC2=NC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641319	0	34	-1.0	-52.58	284.68	3.10	-49.48
O=C(C1=NC=CC2=NC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641319	1	34	-1.0	-52.55	284.62	3.07	-49.48
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL250004641320	0	31	-1.0	-59.90	265.80	2.54	-57.36
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL250004641320	1	31	-1.0	-59.92	265.86	2.56	-57.36
O=C(C1=CN(CC(F)F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641321	0	33	-1.0	-54.34	288.80	2.49	-51.85
O=C(C1=CN(CC(F)F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641321	1	33	-1.0	-54.27	288.74	2.48	-51.79
CN1C=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL250004641322	0	32	-1.0	-65.08	278.75	2.38	-62.70
CN1C=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL250004641322	1	32	-1.0	-65.05	278.69	2.37	-62.68
CC1=CC=C(C=CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641323	0	40	-1.0	-53.59	331.71	6.66	-46.93
CC1=CC=C(C=CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641323	1	40	-1.0	-53.59	331.77	6.69	-46.90
O=C(C=CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641324	0	34	-1.0	-53.68	288.24	5.16	-48.52
O=C(C=CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641324	1	34	-1.0	-53.71	288.30	5.17	-48.54
O=C(C1CCCN2C=NN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641325	0	36	-1.0	-56.73	294.27	4.58	-52.15
O=C(C1CCCN2C=NN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641325	1	36	-1.0	-56.80	294.32	4.60	-52.20
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL250004641326	0	31	-1.0	-51.60	274.04	1.65	-49.95
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL250004641326	1	31	-1.0	-51.63	273.98	1.62	-50.01
CC(C)(C)OC(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641327	0	38	-1.0	-59.07	306.11	4.62	-54.45
CC(C)(C)OC(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641327	1	38	-1.0	-59.10	306.16	4.65	-54.45
COC1=CC=C(C#CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641328	0	36	-1.0	-53.51	316.29	4.66	-48.85
COC1=CC=C(C#CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641328	1	36	-1.0	-53.52	316.35	4.69	-48.83
O=C(C1=CC2=CN=CN=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641329	0	32	-1.0	-49.84	273.10	3.17	-46.67
O=C(C1=CC2=CN=CN=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641329	1	32	-1.0	-49.80	273.05	3.15	-46.65
CC(C)(C)C(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641330	0	40	-1.0	-48.91	321.39	4.19	-44.72
CC(C)(C)C(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641330	1	40	-1.0	-48.87	321.44	4.21	-44.66
O=C(C1=CN=CC(F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641331	0	28	-1.0	-47.54	249.78	0.84	-46.70
O=C(C1=CN=CC(F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641331	1	28	-1.0	-47.55	249.73	0.82	-46.73
CC1=NC(C#N)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641332	0	33	-1.0	-47.99	286.69	2.76	-45.23
CC1=NC(C#N)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641332	1	33	-1.0	-47.98	286.75	2.78	-45.20
O=C(C1=CC(C2CC2)=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641333	0	36	-1.0	-54.84	297.97	4.83	-50.01
O=C(C1=CC(C2CC2)=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641333	1	36	-1.0	-54.84	298.02	4.86	-49.98
CC(C)(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641334	0	38	-1.0	-54.90	310.86	1.17	-53.73
CC(C)(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641334	1	38	-1.0	-54.90	310.80	1.15	-53.75
O=C(C1=CC2=CC=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641335	0	35	-1.0	-55.69	288.58	5.38	-50.31
O=C(C1=CC2=CC=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641335	1	35	-1.0	-55.72	288.64	5.40	-50.32
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641336	0	32	-1.0	-54.74	270.01	3.40	-51.34
CC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641336	1	32	-1.0	-54.76	270.07	3.43	-51.33
CC1(F)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641337	0	33	-1.0	-48.57	273.10	3.62	-44.95
CC1(F)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641337	1	33	-1.0	-48.60	273.16	3.65	-44.95
C=CCCC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641338	0	45	-1.0	-52.16	337.00	5.77	-46.39
C=CCCC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641338	1	45	-1.0	-52.17	337.05	5.79	-46.38
C=CCC(CC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641339	0	42	-1.0	-50.46	318.17	5.39	-45.07
C=CCC(CC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641339	1	42	-1.0	-50.45	318.22	5.40	-45.05
CC(C)(C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004641340	0	40	-1.0	-46.26	316.41	3.27	-42.99
CC(C)(C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004641340	1	40	-1.0	-46.29	316.46	3.30	-42.99
CC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641341	0	34	-1.0	-58.00	273.17	2.88	-55.12
CC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641341	1	34	-1.0	-58.00	273.23	2.90	-55.10
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CC2=NN1	REAL250004641342	0	35	-1.0	-56.31	296.54	2.07	-54.24
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CC2=NN1	REAL250004641342	1	35	-1.0	-56.30	296.60	2.10	-54.20
O=C(C1=CN=C2N=CC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641343	0	32	-1.0	-56.96	270.71	4.51	-52.45
O=C(C1=CN=C2N=CC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641343	1	32	-1.0	-56.97	270.65	4.50	-52.47
C[C@@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004641344	0	36	-1.0	-54.13	297.27	4.96	-49.17
C[C@@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004641344	1	36	-1.0	-54.13	297.32	4.98	-49.15
O=C(C1=CC=NN1CC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641345	0	37	-1.0	-50.65	302.09	3.84	-46.81
O=C(C1=CC=NN1CC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641345	1	37	-1.0	-50.67	302.04	3.83	-46.84
O=C(C1CCC(F)(F)CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641346	0	34	-1.0	-59.30	280.75	3.00	-56.30
O=C(C1CCC(F)(F)CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641346	1	34	-1.0	-59.30	280.81	3.02	-56.28
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C[C@H](C)O1	REAL250004641347	0	40	-1.0	-54.80	309.53	3.05	-51.75
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C[C@H](C)O1	REAL250004641347	1	40	-1.0	-54.84	309.59	3.08	-51.76
O=C(C1CC2(CC2F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641348	0	34	-1.0	-55.52	284.75	4.42	-51.10
O=C(C1CC2(CC2F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641348	1	34	-1.0	-55.57	284.80	4.44	-51.13
O=C(C1=NN2CC(F)CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641349	0	34	-1.0	-55.38	287.58	2.89	-52.49
O=C(C1=NN2CC(F)CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641349	1	34	-1.0	-55.33	287.64	2.91	-52.42
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2)O1	REAL250004641350	0	34	-1.0	-54.49	285.85	2.95	-51.54
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2)O1	REAL250004641350	1	34	-1.0	-54.50	285.91	2.97	-51.53
CC1=CC=CC([C@@H](C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641351	0	39	-1.0	-55.16	312.26	5.55	-49.61
CC1=CC=CC([C@@H](C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641351	1	39	-1.0	-55.20	312.32	5.58	-49.62
COC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004641352	0	36	-1.0	-48.75	297.88	0.94	-47.81
COC1=CC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004641352	1	36	-1.0	-48.79	297.94	0.96	-47.83
O=C(C[C@@H]1CC=CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641353	0	37	-1.0	-52.24	291.18	4.87	-47.37
O=C(C[C@@H]1CC=CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641353	1	37	-1.0	-52.23	291.23	4.89	-47.34
CCC1=CNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641354	0	34	-1.0	-55.79	280.25	3.38	-52.41
CCC1=CNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641354	1	34	-1.0	-55.81	280.30	3.39	-52.42
O=C(C1=C2CCCCC2=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641355	0	38	-1.0	-55.92	298.10	4.42	-51.50
O=C(C1=C2CCCCC2=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641355	1	38	-1.0	-55.93	298.16	4.45	-51.48
COCCOCC=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641356	0	38	-1.0	-57.42	320.73	1.53	-55.89
COCCOCC=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641356	1	38	-1.0	-57.42	320.78	1.56	-55.86
O=C(C=CC1CCCO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641357	0	35	-1.0	-55.49	288.46	2.50	-52.99
O=C(C=CC1CCCO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641357	1	35	-1.0	-55.51	288.52	2.52	-52.99
CC1=CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641358	0	37	-1.0	-51.10	293.51	4.65	-46.45
CC1=CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641358	1	37	-1.0	-51.14	293.56	4.66	-46.48
CC[C@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL250004641359	0	41	-1.0	-51.70	307.44	4.68	-47.02
CC[C@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL250004641359	1	41	-1.0	-51.66	307.49	4.70	-46.96
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=C1	REAL250004641360	0	33	-1.0	-51.57	288.66	4.36	-47.21
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=C1	REAL250004641360	1	33	-1.0	-51.58	288.71	4.39	-47.19
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=NC=N1	REAL250004641361	0	35	-1.0	-47.63	292.74	4.31	-43.32
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=NC=N1	REAL250004641361	1	35	-1.0	-47.66	292.68	4.29	-43.37
CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1C	REAL250004641362	0	39	-1.0	-56.23	320.83	3.68	-52.55
CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1C	REAL250004641362	1	39	-1.0	-56.24	320.88	3.70	-52.54
CC(=O)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL250004641363	0	31	-1.0	-56.29	283.54	2.00	-54.29
CC(=O)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL250004641363	1	31	-1.0	-56.35	283.60	2.03	-54.32
O=C(C1=CN2N=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641364	0	33	-1.0	-53.98	286.57	3.63	-50.35
O=C(C1=CN2N=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641364	1	33	-1.0	-54.04	286.51	3.61	-50.43
O=C(C1CCCC2=NN=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641365	0	36	-1.0	-57.67	292.77	4.49	-53.18
O=C(C1CCCC2=NN=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641365	1	36	-1.0	-57.68	292.82	4.50	-53.18
CC1(C)CCCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641366	0	43	-1.0	-57.56	328.11	4.73	-52.83
CC1(C)CCCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641366	1	43	-1.0	-57.57	328.17	4.76	-52.81
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CN=C1	REAL250004641367	0	36	-1.0	-62.26	297.74	2.62	-59.64
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CN=C1	REAL250004641367	1	36	-1.0	-62.21	297.69	2.59	-59.62
CCN1C(=O)CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641368	0	37	-1.0	-56.54	295.04	2.43	-54.11
CCN1C(=O)CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641368	1	37	-1.0	-56.57	295.10	2.46	-54.11
O=C(C1=CC=NC2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641369	0	36	-1.0	-41.82	282.12	3.11	-38.71
O=C(C1=CC=NC2=C1CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641369	1	36	-1.0	-41.84	282.17	3.12	-38.72
O=C(CCC1=CC=CC(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641370	0	36	-1.0	-56.35	305.29	2.26	-54.09
O=C(CCC1=CC=CC(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641370	1	36	-1.0	-56.35	305.34	2.29	-54.06
CCC1=C(C)SC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641371	0	36	-1.0	-52.41	298.84	4.69	-47.72
CCC1=C(C)SC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641371	1	36	-1.0	-52.42	298.90	4.71	-47.71
O=C(C1CCOC(=O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641372	0	36	-1.0	-59.37	289.59	3.17	-56.20
O=C(C1CCOC(=O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641372	1	36	-1.0	-59.34	289.65	3.19	-56.15
O=C(CCCCCF)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641373	0	35	-1.0	-53.89	290.32	4.15	-49.74
O=C(CCCCCF)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641373	1	35	-1.0	-53.90	290.38	4.18	-49.72
CCN1N=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL250004641374	0	35	-1.0	-50.98	291.04	1.88	-49.10
CCN1N=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL250004641374	1	35	-1.0	-51.03	291.10	1.91	-49.12
O=C(C1CC(=O)CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641375	0	30	-1.0	-55.77	253.86	1.15	-54.62
O=C(C1CC(=O)CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641375	1	30	-1.0	-55.79	253.92	1.17	-54.62
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN(C)C1=O	REAL250004641376	0	36	-1.0	-50.11	303.53	3.32	-46.79
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN(C)C1=O	REAL250004641376	1	36	-1.0	-50.12	303.59	3.34	-46.78
O=C(CC1CCCC(F)(F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641377	0	39	-1.0	-58.09	310.22	5.06	-53.03
O=C(CC1CCCC(F)(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641377	1	39	-1.0	-58.05	310.28	5.09	-52.96
CC1=NN=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641378	0	31	-1.0	-56.95	270.10	1.06	-55.89
CC1=NN=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641378	1	31	-1.0	-56.97	270.16	1.09	-55.88
O=C(CC1CC(C(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641379	0	36	-1.0	-50.99	298.84	4.59	-46.40
O=C(CC1CC(C(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641379	1	36	-1.0	-51.00	298.89	4.62	-46.38
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL250004641380	0	30	-1.0	-54.22	277.07	3.78	-50.44
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL250004641380	1	30	-1.0	-54.24	277.13	3.80	-50.44
CN1N=NC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641381	0	32	-1.0	-59.39	273.64	0.99	-58.40
CN1N=NC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641381	1	32	-1.0	-59.39	273.69	1.01	-58.38
O=C(N1CCC[C@H]1C1=N[N-]N=N1)[C@]12C[C@H]1[C@H](F)C2	REAL250004641382	0	31	-1.0	-55.87	261.80	3.62	-52.25
O=C(N1CCC[C@H]1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL250004641382	1	31	-1.0	-55.90	261.86	3.64	-52.26
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641383	0	35	-1.0	-51.35	281.14	2.01	-49.34
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641383	1	35	-1.0	-51.35	281.21	2.00	-49.35
O=C(C1=CC=C(CC2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641384	0	40	-1.0	-41.34	319.57	6.07	-35.27
O=C(C1=CC=C(CC2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641384	1	40	-1.0	-41.32	319.64	6.08	-35.24
O=C(C1=NC=C(F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641385	0	28	-1.0	-53.94	250.60	2.03	-51.91
O=C(C1=NC=C(F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641385	1	28	-1.0	-53.91	250.54	2.00	-51.91
O=C(C1=CN=C2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641386	0	39	-1.0	-53.48	308.50	4.23	-49.25
O=C(C1=CN=C2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641386	1	39	-1.0	-53.46	308.56	4.25	-49.21
CC1(C)COCCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641387	0	40	-1.0	-53.31	296.41	2.85	-50.46
CC1(C)COCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641387	1	40	-1.0	-53.31	296.47	2.85	-50.46
O=C(C1=CC=CC2=NN=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641388	0	32	-1.0	-50.24	280.50	4.89	-45.35
O=C(C1=CC=CC2=NN=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641388	1	32	-1.0	-50.26	280.44	4.89	-45.37
CN1N=CC(C(F)F)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641389	0	33	-1.0	-52.22	295.57	2.56	-49.66
CN1N=CC(C(F)F)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641389	1	33	-1.0	-52.22	295.51	2.54	-49.68
CC1(C)CCCOC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641390	0	43	-1.0	-56.09	323.01	4.39	-51.70
CC1(C)CCCOC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641390	1	43	-1.0	-56.10	323.07	4.42	-51.68
CC1(C)OCC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641391	0	41	-1.0	-50.24	330.57	2.84	-47.40
CC1(C)OCC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641391	1	41	-1.0	-50.29	330.62	2.87	-47.42
CC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004641392	0	31	-1.0	-58.09	271.56	0.68	-57.41
CC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004641392	1	31	-1.0	-58.09	271.62	0.70	-57.39
O=C(C1=CC=C2C=COC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641393	0	33	-1.0	-43.43	271.51	3.35	-40.08
O=C(C1=CC=C2C=COC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641393	1	33	-1.0	-43.44	271.45	3.36	-40.08
C#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641394	0	32	-1.0	-42.77	272.40	4.24	-38.53
C#CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641394	1	32	-1.0	-42.75	272.33	4.26	-38.49
CC1=C(C)NC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641395	0	36	-1.0	-65.38	302.73	1.89	-63.49
CC1=C(C)NC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641395	1	36	-1.0	-65.32	302.79	1.91	-63.41
CCN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL250004641396	0	36	-1.0	-57.49	298.40	3.32	-54.17
CCN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL250004641396	1	36	-1.0	-57.48	298.46	3.34	-54.14
CCCN1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641397	0	37	-1.0	-54.25	297.35	4.73	-49.52
CCCN1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641397	1	37	-1.0	-54.26	297.41	4.76	-49.50
O=C(CC1CC2CC2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641398	0	37	-1.0	-52.48	292.98	5.07	-47.41
O=C(CC1CC2CC2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641398	1	37	-1.0	-52.51	293.04	5.10	-47.41
CCC1=NON=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641399	0	31	-1.0	-44.45	266.64	2.16	-42.29
CCC1=NON=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641399	1	31	-1.0	-44.42	266.71	2.19	-42.23
O=C(C1=CN2N=NC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641400	0	32	-1.0	-54.96	281.25	2.33	-52.63
O=C(C1=CN2N=NC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641400	1	32	-1.0	-54.90	281.19	2.32	-52.58
O=C(C1=CN(CCO)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641401	0	33	-1.0	-50.62	285.66	-1.97	-52.59
O=C(C1=CN(CCO)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641401	1	33	-1.0	-50.64	285.61	-1.99	-52.63
O=C(CCNC1=CN=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641402	0	36	-1.0	-54.32	304.29	1.66	-52.66
O=C(CCNC1=CN=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641402	1	36	-1.0	-54.32	304.23	1.64	-52.68
O=C(CC1CC2(CCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641403	0	40	-1.0	-53.24	315.94	5.60	-47.64
O=C(CC1CC2(CCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641403	1	40	-1.0	-53.27	315.99	5.63	-47.64
O=C(C1CCCC(F)(F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641404	0	39	-1.0	-52.71	299.86	4.48	-48.23
O=C(C1CCCC(F)(F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641404	1	39	-1.0	-52.72	299.92	4.51	-48.21
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641405	0	37	-1.0	-54.63	307.52	3.18	-51.45
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641405	1	37	-1.0	-54.66	307.57	3.20	-51.46
O=C(C1=NOC(CF)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641406	0	29	-1.0	-52.01	258.93	2.42	-49.59
O=C(C1=NOC(CF)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641406	1	29	-1.0	-52.01	258.99	2.45	-49.56
O=C(C1CCC2=CC=NN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641407	0	37	-1.0	-51.07	300.36	3.12	-47.95
O=C(C1CCC2=CC=NN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641407	1	37	-1.0	-51.08	300.42	3.13	-47.95
O=C(C1=CC=CC2=NON=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641408	0	31	-1.0	-61.15	268.34	2.39	-58.76
O=C(C1=CC=CC2=NON=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641408	1	31	-1.0	-61.14	268.29	2.37	-58.77
CN1C=C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004641409	0	34	-1.0	-57.58	293.00	2.40	-55.18
CN1C=C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004641409	1	34	-1.0	-57.60	292.95	2.37	-55.23
CCC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641410	0	32	-1.0	-47.12	273.85	2.61	-44.51
CCC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641410	1	32	-1.0	-47.12	273.90	2.65	-44.47
O=C(C=CC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641411	0	33	-1.0	-53.11	283.27	3.41	-49.70
O=C(C=CC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641411	1	33	-1.0	-53.08	283.33	3.43	-49.65
O=C(C1CC(=O)CC12CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641412	0	39	-1.0	-50.76	305.19	4.40	-46.36
O=C(C1CC(=O)CC12CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641412	1	39	-1.0	-50.73	305.25	4.41	-46.32
CC1=CNC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL250004641413	0	36	-1.0	-47.91	292.99	2.83	-45.08
CC1=CNC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL250004641413	1	36	-1.0	-47.95	292.93	2.83	-45.12
O=C(C1CC2=CC=CN=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641414	0	36	-1.0	-51.48	291.65	3.75	-47.73
O=C(C1CC2=CC=CN=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641414	1	36	-1.0	-51.47	291.70	3.77	-47.70
O=C(C1CC(C2CC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641415	0	35	-1.0	-59.18	294.84	3.90	-55.28
O=C(C1CC(C2CC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641415	1	35	-1.0	-59.20	294.89	3.93	-55.27
O=C(C1COC(=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641416	0	28	-1.0	-60.75	244.34	2.01	-58.74
O=C(C1COC(=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641416	1	28	-1.0	-60.76	244.40	2.03	-58.73
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCOC1	REAL250004641417	0	37	-1.0	-50.73	285.38	1.93	-48.80
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCOC1	REAL250004641417	1	37	-1.0	-50.73	285.43	1.95	-48.78
O=C(C1COC2COCC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641418	0	36	-1.0	-51.62	285.11	0.21	-51.41
O=C(C1COC2COCC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641418	1	36	-1.0	-51.63	285.16	0.23	-51.40
CC1CCOC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641419	0	37	-1.0	-58.04	295.93	3.31	-54.73
CC1CCOC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641419	1	37	-1.0	-58.07	295.99	3.34	-54.73
COC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004641420	0	43	-1.0	-56.91	335.57	3.88	-53.03
COC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004641420	1	43	-1.0	-56.95	335.63	3.91	-53.04
O=C(C1CCC2(CC2(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641421	0	37	-1.0	-51.41	303.83	4.85	-46.56
O=C(C1CCC2(CC2(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641421	1	37	-1.0	-51.39	303.89	4.87	-46.52
O=C(C1CCCC2C1C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641422	0	37	-1.0	-58.65	295.06	4.73	-53.92
O=C(C1CCCC2C1C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641422	1	37	-1.0	-58.62	295.12	4.75	-53.87
C=C1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL250004641423	0	38	-1.0	-53.26	307.90	5.32	-47.94
C=C1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL250004641423	1	38	-1.0	-53.25	307.96	5.35	-47.90
O=C(C1CCC2C1C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641424	0	34	-1.0	-50.95	281.47	4.20	-46.75
O=C(C1CCC2C1C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641424	1	34	-1.0	-50.99	281.53	4.22	-46.77
CC1=C(Cl)C=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641425	0	33	-1.0	-53.56	297.58	3.03	-50.53
CC1=C(Cl)C=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641425	1	33	-1.0	-53.55	297.64	3.05	-50.50
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL250004641426	0	35	-1.0	-49.49	286.79	1.69	-47.80
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL250004641426	1	35	-1.0	-49.46	286.72	1.69	-47.77
O=C(CC12CCC(CC1)C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641427	0	40	-1.0	-53.54	302.70	5.26	-48.28
O=C(CC12CCC(CC1)C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641427	1	40	-1.0	-53.55	302.75	5.27	-48.28
O=C(C1CC=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641428	0	38	-1.0	-54.83	306.04	5.85	-48.98
O=C(C1CC=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641428	1	38	-1.0	-54.85	306.09	5.88	-48.97
CCCOCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641429	0	39	-1.0	-54.66	317.76	3.29	-51.37
CCCOCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641429	1	39	-1.0	-54.64	317.81	3.32	-51.32
O=C(C1=CN2C=NN=C2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641430	0	31	-1.0	-50.45	269.39	4.04	-46.41
O=C(C1=CN2C=NN=C2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641430	1	31	-1.0	-50.47	269.33	4.01	-46.46
CN1N=CC(C#N)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641431	0	31	-1.0	-47.75	282.49	1.87	-45.88
CN1N=CC(C#N)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641431	1	31	-1.0	-47.74	282.43	1.85	-45.89
O=C(C1=CC=CC2=NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641432	0	35	-1.0	-54.17	290.25	3.91	-50.26
O=C(C1=CC=CC2=NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641432	1	35	-1.0	-54.16	290.19	3.90	-50.26
CC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641433	0	38	-1.0	-45.58	295.91	4.55	-41.03
CC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641433	1	38	-1.0	-45.55	295.98	4.55	-41.00
CC(C)C(C)C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641434	0	44	-1.0	-51.56	324.63	5.20	-46.36
CC(C)C(C)C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641434	1	44	-1.0	-51.51	324.69	5.23	-46.28
COC1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL250004641435	0	41	-1.0	-53.73	327.82	3.76	-49.97
COC1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL250004641435	1	41	-1.0	-53.74	327.88	3.78	-49.96
CO[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[C@@H]12	REAL250004641436	0	35	-1.0	-56.88	288.63	2.49	-54.39
CO[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[C@@H]12	REAL250004641436	1	35	-1.0	-56.86	288.69	2.52	-54.34
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CO1	REAL250004641437	0	40	-1.0	-50.59	306.20	2.86	-47.73
CC1(C)CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CO1	REAL250004641437	1	40	-1.0	-50.64	306.25	2.87	-47.77
O=C(CC1CCCNC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641438	0	40	-1.0	-68.16	311.52	1.52	-66.64
O=C(CC1CCCNC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641438	1	40	-1.0	-68.10	311.58	1.55	-66.55
CN1C=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL250004641439	0	36	-1.0	-67.50	300.36	4.93	-62.57
CN1C=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL250004641439	1	36	-1.0	-67.47	300.30	4.91	-62.56
CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCO1	REAL250004641440	0	37	-1.0	-55.02	290.38	3.41	-51.61
CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCO1	REAL250004641440	1	37	-1.0	-55.03	290.44	3.44	-51.59
O=C(C1=NC2=CC=CNC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641441	0	33	-1.0	-73.46	281.55	2.60	-70.86
O=C(C1=NC2=CC=CNC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641441	1	33	-1.0	-73.45	281.49	2.57	-70.88
O=C(C1C2C3CC1C(=O)C32)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641442	0	34	-1.0	-67.02	277.11	3.55	-63.47
O=C(C1C2C3CC1C(=O)C32)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641442	1	34	-1.0	-67.05	277.17	3.58	-63.47
O=C(C1=CC=CN2N=NC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641443	0	32	-1.0	-53.83	281.68	2.36	-51.47
O=C(C1=CC=CN2N=NC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641443	1	32	-1.0	-53.81	281.62	2.35	-51.46
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL250004641444	0	35	-1.0	-54.90	291.34	1.63	-53.27
COCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL250004641444	1	35	-1.0	-54.93	291.39	1.65	-53.28
O=C(CC1CC2(CC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641445	0	37	-1.0	-52.78	299.42	5.14	-47.64
O=C(CC1CC2(CC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641445	1	37	-1.0	-52.75	299.47	5.17	-47.58
CC1=NN(C)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641446	0	36	-1.0	-56.70	302.15	2.78	-53.92
CC1=NN(C)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641446	1	36	-1.0	-56.68	302.20	2.81	-53.87
CCC(C)CC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641447	0	41	-1.0	-54.87	313.31	4.75	-50.12
CCC(C)CC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641447	1	41	-1.0	-54.87	313.37	4.77	-50.10
CC(C)N(C)C(=O)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641448	0	42	-1.0	-50.56	334.62	3.47	-47.09
CC(C)N(C)C(=O)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641448	1	42	-1.0	-50.52	334.68	3.49	-47.03
O=C(CC1=CSC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641449	0	30	-1.0	-51.92	286.28	4.22	-47.70
O=C(CC1=CSC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641449	1	30	-1.0	-51.91	286.34	4.24	-47.67
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(F)(F)F	REAL250004641450	0	35	-1.0	-53.99	291.71	4.02	-49.97
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(F)(F)F	REAL250004641450	1	35	-1.0	-53.99	291.77	4.05	-49.94
CC1(C)CC2(CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641451	0	40	-1.0	-53.61	316.72	5.45	-48.16
CC1(C)CC2(CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641451	1	40	-1.0	-53.60	316.78	5.48	-48.12
O=C(C1CCCC12CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641452	0	40	-1.0	-55.05	302.02	5.44	-49.61
O=C(C1CCCC12CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641452	1	40	-1.0	-55.07	302.08	5.47	-49.60
CC1COC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL250004641453	0	38	-1.0	-60.41	308.19	4.16	-56.25
CC1COC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL250004641453	1	38	-1.0	-60.39	308.25	4.18	-56.21
C#CC1=CC=C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL250004641454	0	36	-1.0	-57.06	315.42	5.78	-51.28
C#CC1=CC=C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL250004641454	1	36	-1.0	-57.00	315.48	5.81	-51.19
CC1=NN=C2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CN12	REAL250004641455	0	36	-1.0	-67.42	294.72	3.93	-63.49
CC1=NN=C2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CN12	REAL250004641455	1	36	-1.0	-67.42	294.78	3.96	-63.46
CC12CC(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)(C1)CO2	REAL250004641456	0	38	-1.0	-55.38	302.29	2.85	-52.53
CC12CC(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)(C1)CO2	REAL250004641456	1	38	-1.0	-55.35	302.34	2.87	-52.48
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641457	0	43	-1.0	-52.75	316.56	5.59	-47.16
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641457	1	43	-1.0	-52.76	316.62	5.62	-47.14
O=C(CCC12CCC(CC1)C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641458	0	43	-1.0	-51.64	327.86	5.99	-45.65
O=C(CCC12CCC(CC1)C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641458	1	43	-1.0	-51.65	327.92	6.02	-45.63
O=C(CC12CC(C1)C(=O)NC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641459	0	38	-1.0	-56.35	302.54	1.19	-55.16
O=C(CC12CC(C1)C(=O)NC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641459	1	38	-1.0	-56.38	302.60	1.22	-55.16
CC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C#N	REAL250004641460	0	33	-1.0	-37.80	279.88	1.98	-35.82
CC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C#N	REAL250004641460	1	33	-1.0	-37.74	279.94	1.96	-35.78
O=C([C@@H]1CCC(=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641461	0	30	-1.0	-63.52	256.03	2.90	-60.62
O=C([C@@H]1CCC(=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641461	1	30	-1.0	-63.56	256.08	2.93	-60.63
O=C(C(F)C1CCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641462	0	33	-1.0	-50.08	270.17	3.66	-46.42
O=C(C(F)C1CCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641462	1	33	-1.0	-50.08	270.22	3.69	-46.39
O=C(C(F)C1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641463	0	34	-1.0	-56.08	275.32	1.72	-54.36
O=C(C(F)C1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641463	1	34	-1.0	-56.05	275.38	1.74	-54.31
CCC1(C)CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641464	0	40	-1.0	-57.79	311.37	4.18	-53.61
CCC1(C)CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641464	1	40	-1.0	-57.82	311.43	4.20	-53.62
O=C(C1CC2(CCC2)CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641465	0	38	-1.0	-58.14	300.37	3.92	-54.22
O=C(C1CC2(CCC2)CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641465	1	38	-1.0	-58.13	300.43	3.95	-54.18
O=C(CC1CCCCC1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641466	0	39	-1.0	-48.74	308.63	5.01	-43.73
O=C(CC1CCCCC1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641466	1	39	-1.0	-48.73	308.69	5.04	-43.69
O=C(C1CC2(CC(F)C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641467	0	37	-1.0	-55.48	300.98	4.88	-50.60
O=C(C1CC2(CC(F)C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641467	1	37	-1.0	-55.46	301.04	4.91	-50.55
O=C(C1=CC2=CN=NN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641468	0	32	-1.0	-51.29	280.64	2.44	-48.85
O=C(C1=CC2=CN=NN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641468	1	32	-1.0	-51.29	280.59	2.43	-48.86
O=C(C1CCCC2=NC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641469	0	39	-1.0	-52.99	311.37	4.33	-48.66
O=C(C1CCCC2=NC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641469	1	39	-1.0	-53.03	311.43	4.35	-48.68
CN1C=C(SCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004641470	0	34	-1.0	-54.84	303.00	3.01	-51.83
CN1C=C(SCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004641470	1	34	-1.0	-54.87	302.94	2.99	-51.88
O=C(CC1CC2(CCC2)CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641471	0	41	-1.0	-55.56	322.72	4.48	-51.08
O=C(CC1CC2(CCC2)CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641471	1	41	-1.0	-55.54	322.78	4.50	-51.04
O=C(C1=CC=C(CCF)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641472	0	36	-1.0	-39.75	293.81	4.60	-35.15
O=C(C1=CC=C(CCF)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641472	1	36	-1.0	-39.77	293.89	4.61	-35.16
O=C(C1CC2=CSC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641473	0	34	-1.0	-51.94	289.93	4.53	-47.41
O=C(C1CC2=CSC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641473	1	34	-1.0	-51.97	289.99	4.55	-47.42
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC2=N1	REAL250004641474	0	36	-1.0	-50.49	307.60	4.99	-45.50
CC1=CN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC2=N1	REAL250004641474	1	36	-1.0	-50.50	307.66	5.01	-45.49
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641475	0	31	-1.0	-38.87	267.80	-1.11	-39.98
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641475	1	31	-1.0	-38.84	267.86	-1.11	-39.95
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641476	0	38	-1.0	-58.63	303.14	0.75	-57.88
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641476	1	38	-1.0	-58.64	303.20	0.78	-57.86
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641477	0	38	-1.0	-49.59	310.17	0.69	-48.90
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641477	1	38	-1.0	-49.58	310.23	0.71	-48.87
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641478	0	36	-1.0	-48.59	297.05	0.48	-48.11
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641478	1	36	-1.0	-48.66	297.11	0.51	-48.15
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641479	0	32	-1.0	-47.62	275.66	-0.42	-48.04
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641479	1	32	-1.0	-47.64	275.72	-0.40	-48.04
[N-]=[N+]=NC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641480	0	35	-1.0	-51.15	289.77	0.04	-51.11
[N-]=[N+]=NC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641480	1	35	-1.0	-51.13	289.82	0.07	-51.06
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C2C=CNC2=N1	REAL250004641481	0	35	-1.0	-55.65	294.79	3.55	-52.10
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C2C=CNC2=N1	REAL250004641481	1	35	-1.0	-55.65	294.74	3.53	-52.12
CC1(C)CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641482	0	45	-1.0	-52.08	316.73	5.13	-46.95
CC1(C)CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641482	1	45	-1.0	-52.11	316.79	5.15	-46.96
CC(C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641483	0	45	-1.0	-55.78	325.43	5.49	-50.29
CC(C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641483	1	45	-1.0	-55.76	325.48	5.51	-50.25
COC1=CN=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641484	0	32	-1.0	-51.93	273.40	0.62	-51.31
COC1=CN=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641484	1	32	-1.0	-51.96	273.34	0.59	-51.37
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641485	0	33	-1.0	-49.17	282.34	3.96	-45.21
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641485	1	33	-1.0	-49.17	282.39	3.98	-45.19
CC1CC(=O)NCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641486	0	37	-1.0	-58.92	285.75	0.70	-58.22
CC1CC(=O)NCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641486	1	37	-1.0	-58.96	285.81	0.73	-58.23
CC1(C)C(C)(C)C1(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641487	0	39	-1.0	-47.90	300.51	4.37	-43.53
CC1(C)C(C)(C)C1(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641487	1	39	-1.0	-47.91	300.59	4.39	-43.52
COC1(C#N)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641488	0	35	-1.0	-52.86	296.12	2.00	-50.86
COC1(C#N)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641488	1	35	-1.0	-52.87	296.18	2.02	-50.85
C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641489	0	34	-1.0	-56.70	269.20	1.48	-55.22
C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641489	1	34	-1.0	-56.76	269.26	1.52	-55.24
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CO1	REAL250004641490	0	40	-1.0	-53.91	315.33	3.23	-50.68
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CO1	REAL250004641490	1	40	-1.0	-53.90	315.38	3.26	-50.64
O=C(CC1CCC(=O)NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641491	0	36	-1.0	-68.16	295.96	1.63	-66.53
O=C(CC1CCC(=O)NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641491	1	36	-1.0	-68.18	296.02	1.66	-66.52
O=C(C1CCCCC(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641492	0	38	-1.0	-60.08	293.63	3.59	-56.49
O=C(C1CCCCC(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641492	1	38	-1.0	-60.11	293.69	3.61	-56.50
CC1=C2NN=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=CC=C1	REAL250004641493	0	36	-1.0	-56.54	302.03	3.52	-53.02
CC1=C2NN=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=CC=C1	REAL250004641493	1	36	-1.0	-56.54	301.97	3.49	-53.05
O=C(C1CCC2(CCC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641494	0	38	-1.0	-57.99	301.66	4.16	-53.83
O=C(C1CCC2(CCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641494	1	38	-1.0	-57.99	301.72	4.18	-53.81
O=C(C1=CC=CC2=C1COC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641495	0	35	-1.0	-55.67	285.76	2.83	-52.84
O=C(C1=CC=CC2=C1COC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641495	1	35	-1.0	-55.68	285.81	2.85	-52.83
CC1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641496	0	42	-1.0	-53.30	307.66	4.92	-48.38
CC1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641496	1	42	-1.0	-53.29	307.71	4.93	-48.36
O=C([C@@H]1C[C@@H]1C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641497	0	30	-1.0	-58.52	251.97	3.36	-55.16
O=C([C@@H]1C[C@@H]1C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641497	1	30	-1.0	-58.59	252.03	3.39	-55.20
O=C(C1=NC2=NC=CN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641498	0	32	-1.0	-55.33	275.16	5.65	-49.68
O=C(C1=NC2=NC=CN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641498	1	32	-1.0	-55.30	275.10	5.63	-49.67
COC(=O)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641499	0	39	-1.0	-59.77	313.28	4.02	-55.75
COC(=O)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641499	1	39	-1.0	-59.75	313.33	4.04	-55.71
CC1=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL250004641500	0	30	-1.0	-55.21	271.08	1.69	-53.52
CC1=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL250004641500	1	30	-1.0	-55.25	271.14	1.72	-53.53
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[C@@H]12	REAL250004641501	0	33	-1.0	-54.00	285.34	0.13	-53.87
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[C@@H]12	REAL250004641501	1	33	-1.0	-53.97	285.40	0.16	-53.81
O=C(C1=CC(C2CCC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641502	0	36	-1.0	-46.78	297.96	3.82	-42.96
O=C(C1=CC(C2CCC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641502	1	36	-1.0	-46.78	298.02	3.86	-42.92
CC(C)C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641503	0	37	-1.0	-59.64	304.45	3.67	-55.97
CC(C)C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641503	1	37	-1.0	-59.65	304.51	3.70	-55.95
CC(C)(C#N)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641504	0	36	-1.0	-57.39	295.24	3.77	-53.62
CC(C)(C#N)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641504	1	36	-1.0	-57.38	295.29	3.79	-53.59
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641505	0	32	-1.0	-37.39	272.63	0.77	-36.62
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641505	1	32	-1.0	-37.36	272.69	0.77	-36.59
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL250004641506	0	32	-1.0	-53.04	287.93	-0.49	-53.53
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004641506	1	32	-1.0	-53.05	287.99	-0.47	-53.52
[N-]=[N+]=NCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641507	0	31	-1.0	-53.97	270.86	-0.89	-54.86
[N-]=[N+]=NCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641507	1	31	-1.0	-53.97	270.91	-0.87	-54.84
[N-]=[N+]=NCCCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641508	0	40	-1.0	-51.96	335.38	1.45	-50.51
[N-]=[N+]=NCCCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641508	1	40	-1.0	-51.95	335.44	1.47	-50.48
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641509	0	35	-1.0	-39.55	296.61	0.35	-39.20
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641509	1	35	-1.0	-39.53	296.67	0.35	-39.18
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL250004641510	0	35	-1.0	-55.06	299.97	2.14	-52.92
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL250004641510	1	35	-1.0	-55.01	300.03	2.16	-52.85
CCOCC(N=[N+]=[N-])C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641511	0	35	-1.0	-48.57	300.79	-1.64	-50.21
CCOCC(N=[N+]=[N-])C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641511	1	35	-1.0	-48.63	300.83	-1.61	-50.24
CN1C=C(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL250004641512	0	33	-1.0	-48.35	291.21	2.42	-45.93
CN1C=C(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL250004641512	1	33	-1.0	-48.35	291.16	2.40	-45.95
O=C(C1CC(C2CCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641513	0	40	-1.0	-53.04	314.60	5.61	-47.43
O=C(C1CC(C2CCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641513	1	40	-1.0	-53.00	314.65	5.64	-47.36
C#CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641514	0	36	-1.0	-59.65	315.42	5.78	-53.87
C#CC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641514	1	36	-1.0	-59.69	315.48	5.80	-53.89
O=C(C1CCCC2(CCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641515	0	43	-1.0	-53.94	324.47	5.72	-48.22
O=C(C1CCCC2(CCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641515	1	43	-1.0	-53.91	324.53	5.74	-48.17
CNC(=O)NC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641516	0	35	-1.0	-49.37	288.00	-1.46	-50.83
CNC(=O)NC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641516	1	35	-1.0	-49.41	288.06	-1.44	-50.85
CNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641517	0	35	-1.0	-49.42	288.00	-1.46	-50.88
CNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641517	1	35	-1.0	-49.43	288.06	-1.43	-50.86
CNC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641518	0	35	-1.0	-50.43	291.55	-1.35	-51.78
CNC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641518	1	35	-1.0	-50.46	291.61	-1.35	-51.81
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCS1	REAL250004641519	0	37	-1.0	-51.39	290.10	4.44	-46.95
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCS1	REAL250004641519	1	37	-1.0	-51.43	290.16	4.47	-46.96
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641520	0	38	-1.0	-56.74	313.02	4.13	-52.61
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641520	1	38	-1.0	-56.77	313.08	4.15	-52.62
CC(C)(F)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641521	0	35	-1.0	-49.66	284.74	3.77	-45.89
CC(C)(F)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641521	1	35	-1.0	-49.67	284.80	3.79	-45.88
O=C(CC1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641522	0	35	-1.0	-56.58	300.98	1.57	-55.01
O=C(CC1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641522	1	35	-1.0	-56.61	301.04	1.59	-55.02
COC1CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641523	0	40	-1.0	-55.53	322.35	3.49	-52.04
COC1CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641523	1	40	-1.0	-55.51	322.41	3.51	-52.00
CCCCC[C@@H](O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641524	0	42	-1.0	-55.85	335.91	3.16	-52.69
CCCCC[C@@H](O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641524	1	42	-1.0	-55.86	335.96	3.19	-52.67
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004641525	0	36	-1.0	-54.87	306.73	4.76	-50.11
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004641525	1	36	-1.0	-54.87	306.68	4.75	-50.12
CCC1=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004641526	0	35	-1.0	-51.27	291.07	3.69	-47.58
CCC1=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004641526	1	35	-1.0	-51.25	291.13	3.71	-47.54
O=C(C1CCCCNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641527	0	37	-1.0	-47.67	275.71	0.94	-46.73
O=C(C1CCCCNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641527	1	37	-1.0	-47.68	275.77	0.95	-46.73
O=C(CC1=C2NC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641528	0	36	-1.0	-63.05	305.63	2.85	-60.20
O=C(CC1=C2NC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641528	1	36	-1.0	-63.05	305.69	2.87	-60.18
COCC(C)(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641529	0	37	-1.0	-50.49	296.62	0.61	-49.88
COCC(C)(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641529	1	37	-1.0	-50.46	296.68	0.62	-49.84
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CS1	REAL250004641530	0	33	-1.0	-52.50	280.34	4.04	-48.46
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CS1	REAL250004641530	1	33	-1.0	-52.55	280.40	4.05	-48.50
CCCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL250004641532	0	38	-1.0	-50.86	317.24	2.93	-47.93
CCCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL250004641532	1	38	-1.0	-50.82	317.18	2.90	-47.92
COC(=O)[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL250004641533	0	39	-1.0	-55.48	310.79	4.15	-51.33
COC(=O)[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL250004641533	1	39	-1.0	-55.46	310.84	4.18	-51.28
CCC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641534	0	34	-1.0	-59.24	284.22	3.16	-56.08
CCC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641534	1	34	-1.0	-59.27	284.28	3.18	-56.09
CC1=NOC2(CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2)C1	REAL250004641535	0	38	-1.0	-65.32	311.19	3.14	-62.18
CC1=NOC2(CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2)C1	REAL250004641535	1	38	-1.0	-65.33	311.25	3.16	-62.17
CCCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL250004641536	0	39	-1.0	-57.12	319.46	3.96	-53.16
CCCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL250004641536	1	39	-1.0	-57.11	319.51	3.97	-53.14
CCCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641537	0	39	-1.0	-49.96	315.37	3.53	-46.43
CCCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641537	1	39	-1.0	-49.96	315.42	3.55	-46.41
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL250004641539	0	38	-1.0	-50.89	313.77	4.39	-46.50
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL250004641539	1	38	-1.0	-50.88	313.82	4.42	-46.46
CC1=C(C2CC2)ON=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641540	0	36	-1.0	-50.86	301.66	4.50	-46.36
CC1=C(C2CC2)ON=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641540	1	36	-1.0	-50.87	301.72	4.51	-46.36
O=C(C(F)C1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641541	0	37	-1.0	-53.70	292.46	2.51	-51.19
O=C(C(F)C1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641541	1	37	-1.0	-53.73	292.52	2.53	-51.20
CCC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641542	0	35	-1.0	-54.89	291.49	4.16	-50.73
CCC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641542	1	35	-1.0	-54.90	291.55	4.19	-50.71
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SN=C1	REAL250004641543	0	29	-1.0	-49.56	254.71	1.89	-47.67
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SN=C1	REAL250004641543	1	29	-1.0	-49.59	254.65	1.87	-47.72
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC2=NNN=C21	REAL250004641544	0	35	-1.0	-51.39	293.07	1.45	-49.94
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC2=NNN=C21	REAL250004641544	1	35	-1.0	-51.37	293.12	1.48	-49.89
CC1(C)NC(=O)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641545	0	37	-1.0	-53.71	291.81	0.33	-53.38
CC1(C)NC(=O)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641545	1	37	-1.0	-53.68	291.87	0.34	-53.34
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641546	0	35	-1.0	-57.52	282.30	0.45	-57.07
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641546	1	35	-1.0	-57.52	282.36	0.47	-57.05
CC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)O1	REAL250004641547	0	40	-1.0	-51.55	309.78	3.10	-48.45
CC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)O1	REAL250004641547	1	40	-1.0	-51.56	309.83	3.12	-48.44
O=C(C1=COC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641548	0	27	-1.0	-49.18	249.74	2.23	-46.95
O=C(C1=COC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641548	1	27	-1.0	-49.21	249.80	2.24	-46.97
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(F)=C1	REAL250004641549	0	30	-1.0	-48.45	265.02	3.28	-45.17
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(F)=C1	REAL250004641549	1	30	-1.0	-48.45	265.07	3.30	-45.15
CC1(C)[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)[C@@H]1C(F)F	REAL250004641550	0	36	-1.0	-55.82	285.49	4.26	-51.56
CC1(C)[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)[C@@H]1C(F)F	REAL250004641550	1	36	-1.0	-55.84	285.55	4.27	-51.57
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL250004641551	0	35	-1.0	-49.49	286.79	1.69	-47.80
CN1N=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL250004641551	1	35	-1.0	-49.46	286.72	1.69	-47.77
COC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=N1	REAL250004641552	0	35	-1.0	-48.28	292.43	-1.20	-49.48
COC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=N1	REAL250004641552	1	35	-1.0	-48.24	292.49	-1.18	-49.42
COC(=O)CC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641553	0	39	-1.0	-48.72	322.92	4.37	-44.35
COC(=O)CC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641553	1	39	-1.0	-48.73	322.98	4.40	-44.33
CC(CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641554	0	38	-1.0	-51.68	309.88	3.97	-47.71
CC(CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641554	1	38	-1.0	-51.66	309.93	3.99	-47.67
O=C(C1C2C3CC1CC32)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641555	0	35	-1.0	-54.69	276.56	4.62	-50.07
O=C(C1C2C3CC1CC32)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641555	1	35	-1.0	-54.70	276.62	4.64	-50.06
O=C(C1CC(N2C=CN=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641556	0	37	-1.0	-56.97	304.22	4.94	-52.03
O=C(C1CC(N2C=CN=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641556	1	37	-1.0	-56.95	304.28	4.97	-51.98
CC(C)CCCOCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641557	0	42	-1.0	-55.29	335.86	4.91	-50.38
CC(C)CCCOCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641557	1	42	-1.0	-55.29	335.91	4.94	-50.35
CC1=CC=CC(C(O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL250004641558	0	37	-1.0	-52.79	302.48	3.04	-49.75
CC1=CC=CC(C(O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL250004641558	1	37	-1.0	-52.79	302.53	3.05	-49.74
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1C	REAL250004641559	0	34	-1.0	-61.42	278.35	3.66	-57.76
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1C	REAL250004641559	1	34	-1.0	-61.43	278.41	3.67	-57.76
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL250004641560	0	36	-1.0	-42.96	292.52	4.59	-38.37
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL250004641560	1	36	-1.0	-42.96	292.58	4.61	-38.35
O=C(CC1=CN=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641561	0	28	-1.0	-54.14	258.02	1.32	-52.82
O=C(CC1=CN=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641561	1	28	-1.0	-54.17	258.07	1.35	-52.82
CCOC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CS1	REAL250004641562	0	34	-1.0	-58.93	295.13	3.37	-55.56
CCOC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CS1	REAL250004641562	1	34	-1.0	-58.96	295.19	3.38	-55.58
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641564	0	37	-1.0	-53.04	306.23	5.98	-47.06
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641564	1	37	-1.0	-53.03	306.29	6.00	-47.03
CCC(=CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641565	0	40	-1.0	-53.08	323.22	6.17	-46.91
CCC(=CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641565	1	40	-1.0	-53.10	323.28	6.19	-46.91
COCCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004641566	0	35	-1.0	-52.15	316.65	2.60	-49.55
COCCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004641566	1	35	-1.0	-52.11	316.59	2.59	-49.52
CN(CC1=NN(C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004641567	0	35	-1.0	-49.59	300.05	3.31	-46.28
CN(CC1=NN(C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004641567	1	35	-1.0	-49.61	300.11	3.32	-46.29
CN(CC1=NN(C)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004641568	0	35	-1.0	-42.85	307.74	3.70	-39.15
CN(CC1=NN(C)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004641568	1	35	-1.0	-42.81	307.81	3.71	-39.10
C=C1CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004641569	0	36	-1.0	-52.21	305.20	5.97	-46.24
C=C1CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004641569	1	36	-1.0	-52.02	305.68	5.95	-46.07
C=C1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004641570	0	33	-1.0	-35.02	291.50	2.85	-32.17
C=C1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004641570	1	33	-1.0	-35.07	291.57	2.85	-32.22
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CC[C@H](C2CC2)O1	REAL250004641571	0	40	-1.0	-47.19	326.97	3.20	-43.99
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CC[C@H](C2CC2)O1	REAL250004641571	1	40	-1.0	-47.19	327.03	3.22	-43.97
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004641572	0	39	-1.0	-46.96	328.66	3.52	-43.44
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004641572	1	39	-1.0	-47.00	328.72	3.54	-43.46
CN1N=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2C1=O	REAL250004641573	0	36	-1.0	-52.01	302.78	2.85	-49.16
CN1N=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2C1=O	REAL250004641573	1	36	-1.0	-51.99	302.84	2.87	-49.12
CNC(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004641574	0	37	-1.0	-56.68	320.96	0.66	-56.02
CNC(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004641574	1	37	-1.0	-56.70	321.01	0.67	-56.03
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CNC(=O)C1	REAL250004641575	0	30	-1.0	-50.60	259.16	1.80	-48.80
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CNC(=O)C1	REAL250004641575	1	30	-1.0	-50.43	259.27	1.81	-48.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CNC(=O)C1	REAL250004641576	0	27	-1.0	-36.17	247.32	-0.71	-36.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CNC(=O)C1	REAL250004641576	1	27	-1.0	-36.13	247.39	-0.71	-36.84
O=C(CCCC1=N[N-]N=N1)NOCCOC1=CC=CC=C1	REAL250004641577	0	37	-1.0	-55.13	322.38	4.40	-50.73
O=C(CCCC1=NN=N[N-]1)NOCCOC1=CC=CC=C1	REAL250004641577	1	37	-1.0	-55.15	322.44	4.41	-50.74
O=C(NCC1CCC2CC21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004641578	0	39	-1.0	-52.94	317.43	6.75	-46.19
O=C(NCC1CCC2CC21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004641578	1	39	-1.0	-52.72	317.53	6.77	-45.95
O=C(NCC1CCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004641579	0	36	-1.0	-34.87	303.65	3.63	-31.24
O=C(NCC1CCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004641579	1	36	-1.0	-34.80	303.72	3.64	-31.16
N#CC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004641580	0	37	-1.0	-52.44	314.04	6.01	-46.43
N#CC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004641580	1	37	-1.0	-52.43	314.10	6.02	-46.41
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(=O)C1C2	REAL250004641581	0	38	-1.0	-54.65	294.87	4.17	-50.48
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(=O)C1C2	REAL250004641581	1	38	-1.0	-54.63	294.93	4.19	-50.44
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004641582	0	32	-1.0	-50.17	281.88	2.72	-47.45
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004641582	1	32	-1.0	-50.22	281.93	2.74	-47.48
COC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004641583	0	32	-1.0	-38.00	289.62	2.75	-35.25
COC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004641583	1	32	-1.0	-37.95	289.69	2.76	-35.19
CN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004641584	0	36	-1.0	-47.04	285.81	2.55	-44.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004641584	1	36	-1.0	-47.06	285.86	2.57	-44.49
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL250004641585	0	36	-1.0	-35.55	293.58	2.94	-32.61
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL250004641585	1	36	-1.0	-35.51	293.65	2.97	-32.54
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)CO	REAL250004641586	0	44	-1.0	-46.99	327.01	1.36	-45.63
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)CO	REAL250004641586	1	44	-1.0	-46.98	327.07	1.38	-45.60
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CCOCC2)CC1	REAL250004641587	0	41	-1.0	-46.59	336.81	3.37	-43.22
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CCOCC2)CC1	REAL250004641587	1	41	-1.0	-46.62	336.87	3.39	-43.23
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004641588	0	38	-1.0	-46.94	306.12	4.16	-42.78
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004641588	1	38	-1.0	-46.94	306.17	4.18	-42.76
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004641589	0	38	-1.0	-35.09	312.19	3.78	-31.31
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004641589	1	38	-1.0	-35.06	312.25	3.79	-31.27
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1COCCO1	REAL250004641590	0	41	-1.0	-47.84	325.58	2.70	-45.14
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1COCCO1	REAL250004641590	1	41	-1.0	-47.90	325.63	2.71	-45.19
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCO1	REAL250004641591	0	43	-1.0	-50.06	335.39	1.61	-48.45
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCO1	REAL250004641591	1	43	-1.0	-50.10	335.45	1.62	-48.48
CC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004641592	0	36	-1.0	-47.54	294.31	0.69	-46.85
CC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004641592	1	36	-1.0	-47.59	294.37	0.70	-46.89
CC1(CO)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004641593	0	36	-1.0	-38.82	300.25	0.99	-37.83
CC1(CO)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004641593	1	36	-1.0	-38.79	300.32	0.99	-37.80
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)COCCO2	REAL250004641594	0	38	-1.0	-51.14	304.06	1.71	-49.43
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)COCCO2	REAL250004641594	1	38	-1.0	-51.13	304.11	1.72	-49.41
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC(=O)NCC2O	REAL250004641595	0	38	-1.0	-58.34	316.87	-2.11	-60.45
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC(=O)NCC2O	REAL250004641595	1	38	-1.0	-58.38	316.93	-2.09	-60.47
CC1CCC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004641596	0	35	-1.0	-46.65	283.20	4.37	-42.28
CC1CCC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004641596	1	35	-1.0	-46.67	283.26	4.39	-42.28
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CC(CO)C[C@H]12	REAL250004641597	0	40	-1.0	-47.77	310.26	1.89	-45.88
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CC(CO)C[C@H]12	REAL250004641597	1	40	-1.0	-47.75	310.31	1.91	-45.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1CS(=O)(=O)C1	REAL250004641598	0	35	-1.0	-54.29	305.52	-0.83	-55.12
CC(NC(=O)CCCC1=NN=N[N-]1)C1CS(=O)(=O)C1	REAL250004641598	1	35	-1.0	-54.32	305.57	-0.82	-55.14
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004641599	0	35	-1.0	-55.96	305.00	4.57	-51.39
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004641599	1	35	-1.0	-55.94	304.95	4.55	-51.39
CC1=CC=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004641600	0	37	-1.0	-46.65	310.83	3.07	-43.58
CC1=CC=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004641600	1	37	-1.0	-46.66	310.89	3.09	-43.57
CCC(C)(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004641601	0	40	-1.0	-46.12	305.01	3.64	-42.48
CCC(C)(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004641601	1	40	-1.0	-46.13	305.06	3.65	-42.48
CCC(C)(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004641602	0	40	-1.0	-34.78	315.60	3.43	-31.35
CCC(C)(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004641602	1	40	-1.0	-34.78	315.67	3.44	-31.34
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCO2)C1	REAL250004641603	0	37	-1.0	-50.00	298.62	2.91	-47.09
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCO2)C1	REAL250004641603	1	37	-1.0	-50.01	298.68	2.93	-47.08
O=C(CCCC1=N[N-]N=N1)NCC1(O)CC2CCC1CC2	REAL250004641604	0	43	-1.0	-47.50	326.27	1.77	-45.73
O=C(CCCC1=NN=N[N-]1)NCC1(O)CC2CCC1CC2	REAL250004641604	1	43	-1.0	-47.54	326.34	1.78	-45.76
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC12CC2	REAL250004641605	0	39	-1.0	-53.52	305.33	7.32	-46.20
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC12CC2	REAL250004641605	1	39	-1.0	-53.36	305.42	7.32	-46.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC12CC2	REAL250004641606	0	36	-1.0	-35.41	291.40	5.11	-30.30
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC12CC2	REAL250004641606	1	36	-1.0	-35.35	291.47	5.11	-30.24
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)C12CCC2	REAL250004641607	0	37	-1.0	-50.73	293.08	1.15	-49.58
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C12CCC2	REAL250004641607	1	37	-1.0	-50.75	293.14	1.16	-49.59
CCN(C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004641608	0	31	-1.0	-45.76	274.98	4.20	-41.56
CCN(C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004641608	1	31	-1.0	-45.72	274.91	4.19	-41.53
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)(F)CO1	REAL250004641609	0	36	-1.0	-49.35	306.19	1.79	-47.56
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)(F)CO1	REAL250004641609	1	36	-1.0	-49.38	306.25	1.80	-47.58
O=C(NC1CC12CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004641610	0	36	-1.0	-52.73	303.00	6.22	-46.51
O=C(NC1CC12CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004641610	1	36	-1.0	-52.64	303.47	6.20	-46.44
O=C(NC1CC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004641611	0	33	-1.0	-34.97	289.24	3.09	-31.88
O=C(NC1CC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004641611	1	33	-1.0	-34.92	289.31	3.10	-31.82
COC1CC2(CC2NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004641612	0	37	-1.0	-48.04	312.12	2.26	-45.78
COC1CC2(CC2NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004641612	1	37	-1.0	-48.07	312.18	2.28	-45.79
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1CCC1	REAL250004641613	0	42	-1.0	-47.92	330.31	7.21	-40.71
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1CCC1	REAL250004641613	1	42	-1.0	-47.93	330.37	7.23	-40.70
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C2OCCC2=C1	REAL250004641614	0	36	-1.0	-48.28	305.85	2.83	-45.45
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C2OCCC2=C1	REAL250004641614	1	36	-1.0	-48.31	305.91	2.84	-45.47
NC(=O)C1CC2CC(NC(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004641615	0	40	-1.0	-58.05	324.51	0.24	-57.81
NC(=O)C1CC2CC(NC(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004641615	1	40	-1.0	-58.06	324.56	0.25	-57.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1COC1	REAL250004641617	0	34	-1.0	-49.31	291.80	1.36	-47.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1COC1	REAL250004641617	1	34	-1.0	-49.31	291.75	1.34	-47.97
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(CO)C1	REAL250004641618	0	34	-1.0	-49.09	284.27	-2.84	-51.93
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(CO)C1	REAL250004641618	1	34	-1.0	-49.12	284.33	-2.82	-51.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(CO)C1	REAL250004641619	0	34	-1.0	-39.84	292.63	-2.72	-42.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(CO)C1	REAL250004641619	1	34	-1.0	-39.84	292.70	-2.72	-42.56
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CN=CC=N1	REAL250004641620	0	32	-1.0	-48.71	289.95	-0.10	-48.81
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CN=CC=N1	REAL250004641620	1	32	-1.0	-48.72	290.00	-0.09	-48.81
CC1=CN(C)N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004641621	0	35	-1.0	-49.99	302.87	1.80	-48.19
CC1=CN(C)N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004641621	1	35	-1.0	-49.96	302.92	1.82	-48.14
CC1=CN(C)N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004641622	0	35	-1.0	-39.63	313.45	1.58	-38.05
CC1=CN(C)N=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004641622	1	35	-1.0	-39.57	313.52	1.60	-37.97
O=C(C1=CC=C2CCCC2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641623	0	40	-1.0	-51.17	316.80	6.27	-44.90
O=C(C1=CC=C2CCCC2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641623	1	40	-1.0	-51.19	316.86	6.28	-44.91
O=C(CCC1=CC=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641624	0	36	-1.0	-39.39	313.73	5.49	-33.90
O=C(CCC1=CC=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641624	1	36	-1.0	-39.36	313.79	5.50	-33.86
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004641625	0	32	-1.0	-47.54	275.14	3.09	-44.45
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004641625	1	32	-1.0	-47.53	275.20	3.10	-44.43
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1	REAL250004641626	0	40	-1.0	-41.42	326.38	6.42	-35.00
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1	REAL250004641626	1	40	-1.0	-41.44	326.44	6.44	-35.00
O=C(C1=CC=CC(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641627	0	33	-1.0	-48.61	277.63	4.40	-44.21
O=C(C1=CC=CC(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641627	1	33	-1.0	-48.65	277.69	4.41	-44.24
CC1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004641628	0	36	-1.0	-52.05	292.62	5.01	-47.04
CC1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004641628	1	36	-1.0	-52.09	292.68	5.03	-47.06
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CCC1=NOC(C)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641735	0	38	-1.0	-40.25	322.26	4.46	-35.79
CCC1=NOC(C)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641735	1	38	-1.0	-40.26	322.32	4.48	-35.78
CN1C=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004641736	0	33	-1.0	-50.88	276.30	2.20	-48.68
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NC(=O)NCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641737	0	35	-1.0	-49.18	295.78	-1.87	-51.05
NC(=O)NCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641737	1	35	-1.0	-49.18	295.85	-1.86	-51.04
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CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)SN=N1	REAL250004641739	0	31	-1.0	-45.52	272.17	1.79	-43.73
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CCC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004641774	0	42	-1.0	-39.79	339.07	6.66	-33.13
CCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004641774	1	42	-1.0	-39.77	339.13	6.67	-33.10
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CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004641776	0	35	-1.0	-52.99	287.76	3.21	-49.78
CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004641776	1	35	-1.0	-53.00	287.82	3.23	-49.77
CN1C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641777	0	34	-1.0	-50.66	276.20	3.90	-46.76
CN1C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641777	1	34	-1.0	-50.67	276.25	3.91	-46.76
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CC1=NOC(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004641779	0	37	-1.0	-41.42	315.04	1.99	-39.43
CC1=NOC(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004641779	1	37	-1.0	-41.44	315.09	2.01	-39.43
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CC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL250004641782	0	42	-1.0	-40.12	322.51	6.58	-33.54
CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL250004641782	1	42	-1.0	-40.14	322.56	6.60	-33.54
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CC(C)(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641786	0	38	-1.0	-38.55	295.25	4.50	-34.05
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CC(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004641913	1	39	-1.0	-39.11	310.18	5.44	-33.67
CC1CCCCC1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641914	0	45	-1.0	-38.93	332.26	6.07	-32.86
CC1CCCCC1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641914	1	45	-1.0	-38.96	332.32	6.08	-32.88
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=CO1	REAL250004641915	0	32	-1.0	-48.14	271.35	0.92	-47.22
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=CO1	REAL250004641915	1	32	-1.0	-48.14	271.28	0.91	-47.23
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CCC1=NC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004641917	0	35	-1.0	-49.98	302.16	3.14	-46.84
CCC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004641917	1	35	-1.0	-49.97	302.22	3.15	-46.82
O=C(CCCN1C=CN=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641918	0	39	-1.0	-46.72	325.49	5.97	-40.75
O=C(CCCN1C=CN=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641918	1	39	-1.0	-46.73	325.55	5.99	-40.74
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CN1N=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641923	0	33	-1.0	-48.18	271.46	2.27	-45.91
CN1N=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641923	1	33	-1.0	-48.15	271.41	2.26	-45.89
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COCCOCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641925	0	40	-1.0	-41.28	331.21	1.91	-39.37
COCCOCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641925	1	40	-1.0	-41.28	331.27	1.92	-39.36
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004641926	0	36	-1.0	-40.96	301.11	4.73	-36.23
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004641926	1	36	-1.0	-40.97	301.16	4.74	-36.23
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O=C(CC(F)(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641928	1	29	-1.0	-41.70	259.53	3.03	-38.67
O=C(C1CNC(=O)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641929	0	34	-1.0	-43.09	279.04	-0.06	-43.15
O=C(C1CNC(=O)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641929	1	34	-1.0	-43.12	279.10	-0.05	-43.17
CCCOCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641930	0	36	-1.0	-53.13	298.05	3.70	-49.43
CCCOCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641930	1	36	-1.0	-53.13	298.11	3.72	-49.41
CCCCOC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641931	0	42	-1.0	-42.15	334.60	5.03	-37.12
CCCCOC(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641931	1	42	-1.0	-42.12	334.66	5.05	-37.07
CC(C)CCOCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641932	0	42	-1.0	-53.01	337.12	5.00	-48.01
CC(C)CCOCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641932	1	42	-1.0	-53.02	337.18	5.01	-48.01
CC(C)CCOC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641933	0	45	-1.0	-42.01	352.16	5.56	-36.45
CC(C)CCOC(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641933	1	45	-1.0	-42.03	352.22	5.57	-36.46
COCCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641934	0	39	-1.0	-40.42	318.73	3.23	-37.19
COCCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641934	1	39	-1.0	-40.44	318.79	3.24	-37.20
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NC(=O)CCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641935	1	36	-1.0	-50.14	301.30	0.24	-49.90
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CN1C=C(C(=O)C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004641941	1	35	-1.0	-48.46	299.92	2.43	-46.03
CCC(OC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641942	0	36	-1.0	-42.00	287.55	3.17	-38.83
CCC(OC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641942	1	36	-1.0	-42.00	287.60	3.19	-38.81
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O=C(CCN1CCOCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641943	1	42	-1.0	-40.53	330.45	1.07	-39.46
O=C(CCC1=CC=CC=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641944	0	38	-1.0	-41.76	317.66	4.62	-37.14
O=C(CCC1=CC=CC=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641944	1	38	-1.0	-41.78	317.71	4.63	-37.15
O=C(CCN1C=CN=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641945	0	36	-1.0	-41.72	303.94	5.17	-36.55
O=C(CCN1C=CN=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641945	1	36	-1.0	-41.77	304.00	5.18	-36.59
CCCC1=NNC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641946	0	39	-1.0	-52.99	314.51	2.99	-50.00
CCCC1=NNC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641946	1	39	-1.0	-53.03	314.57	3.01	-50.02
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C(F)(F)F)CC1	REAL250004641947	0	33	-1.0	-40.00	284.25	3.85	-36.15
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C(F)(F)F)CC1	REAL250004641947	1	33	-1.0	-40.04	284.31	3.86	-36.18
CN1C=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004641948	0	36	-1.0	-44.62	304.93	3.40	-41.22
CN1C=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004641948	1	36	-1.0	-44.64	304.88	3.38	-41.26
CCN1N=C(C)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641949	0	39	-1.0	-48.75	314.98	3.65	-45.10
CCN1N=C(C)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641949	1	39	-1.0	-48.75	315.04	3.67	-45.08
O=C(COC1=CC=CN=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641950	0	36	-1.0	-53.98	305.84	3.68	-50.30
O=C(COC1=CC=CN=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641950	1	36	-1.0	-54.00	305.79	3.67	-50.33
CCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641951	0	38	-1.0	-40.01	283.86	3.73	-36.28
CCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641951	1	38	-1.0	-40.00	283.92	3.74	-36.26
O=C(C1CCCCCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641952	0	42	-1.0	-39.01	315.32	5.42	-33.59
O=C(C1CCCCCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641952	1	42	-1.0	-39.07	315.37	5.44	-33.63
COC(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641953	0	36	-1.0	-40.82	294.86	3.21	-37.61
COC(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641953	1	36	-1.0	-40.84	294.92	3.23	-37.61
O=C(C1=CC=CC(F)=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641954	0	33	-1.0	-57.98	287.40	4.59	-53.39
O=C(C1=CC=CC(F)=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641954	1	33	-1.0	-57.99	287.45	4.61	-53.38
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL250004641955	0	40	-1.0	-39.53	296.21	2.56	-36.97
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL250004641955	1	40	-1.0	-39.54	296.26	2.58	-36.96
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004641956	0	39	-1.0	-39.25	293.54	4.48	-34.77
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004641956	1	39	-1.0	-39.21	293.60	4.49	-34.72
CC1CCCC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004641957	0	45	-1.0	-39.34	335.71	6.24	-33.10
CC1CCCC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004641957	1	45	-1.0	-39.31	335.77	6.26	-33.05
N#CC1=CC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004641958	0	37	-1.0	-42.88	322.96	5.98	-36.90
N#CC1=CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004641958	1	37	-1.0	-42.87	323.02	6.00	-36.87
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1CCOCC1	REAL250004641959	0	42	-1.0	-40.35	325.59	0.95	-39.40
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1CCOCC1	REAL250004641959	1	42	-1.0	-40.35	325.65	0.96	-39.39
CC(=O)NC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641960	0	39	-1.0	-39.42	304.78	1.79	-37.63
CC(=O)NC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641960	1	39	-1.0	-39.42	304.84	1.81	-37.61
CCCC(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641961	0	41	-1.0	-39.20	320.01	5.38	-33.82
CCCC(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641961	1	41	-1.0	-39.20	320.07	5.40	-33.80
CC1=CC=CC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004641962	0	39	-1.0	-41.36	323.50	6.26	-35.10
CC1=CC=CC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004641962	1	39	-1.0	-41.38	323.55	6.27	-35.11
CCOCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641963	0	36	-1.0	-39.22	297.58	2.65	-36.57
CCOCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641963	1	36	-1.0	-39.22	297.64	2.66	-36.56
CCSC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004641964	0	42	-1.0	-40.76	331.66	5.51	-35.25
CCSC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004641964	1	42	-1.0	-40.76	331.71	5.53	-35.23
CC(C)CC(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641965	0	44	-1.0	-39.12	337.37	5.90	-33.22
CC(C)CC(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641965	1	44	-1.0	-39.11	337.43	5.92	-33.19
CNC(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004641966	0	37	-1.0	-40.07	310.64	1.20	-38.87
CNC(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004641966	1	37	-1.0	-40.12	310.70	1.21	-38.91
CC1=CC=C(F)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004641967	0	36	-1.0	-54.97	302.51	5.26	-49.71
CC1=CC=C(F)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004641967	1	36	-1.0	-55.00	302.57	5.27	-49.73
O=C(CCN1CCCC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641968	0	40	-1.0	-47.30	328.11	3.66	-43.64
O=C(CCN1CCCC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641968	1	40	-1.0	-47.34	328.17	3.67	-43.67
CC1=CC=C(C)C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004641969	0	42	-1.0	-41.35	340.25	6.74	-34.61
CC1=CC=C(C)C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004641969	1	42	-1.0	-41.37	340.31	6.76	-34.61
O=C(C1CCCOC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641970	0	37	-1.0	-40.11	293.19	2.56	-37.55
O=C(C1CCCOC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641970	1	37	-1.0	-40.07	293.24	2.58	-37.49
NC(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004641971	0	34	-1.0	-40.06	288.83	-0.31	-40.37
NC(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004641971	1	34	-1.0	-40.06	288.89	-0.29	-40.35
O=C(C1=CSC=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641972	0	29	-1.0	-49.73	261.32	2.26	-47.47
O=C(C1=CSC=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641972	1	29	-1.0	-49.73	261.26	2.24	-47.49
CCNC(=O)CCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641973	0	42	-1.0	-49.89	344.66	2.55	-47.34
CCNC(=O)CCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641973	1	42	-1.0	-49.91	344.71	2.56	-47.35
CCNC(=O)CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641974	0	39	-1.0	-42.00	323.16	1.76	-40.24
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CCOC(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004642201	1	45	-1.0	-40.54	350.70	5.33	-35.21
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COC(=O)CC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642203	0	38	-1.0	-39.67	313.31	3.78	-35.89
COC(=O)CC(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642203	1	38	-1.0	-39.74	313.36	3.79	-35.95
CC1=C(C)OC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642204	0	36	-1.0	-48.85	301.70	4.37	-44.48
CC1=C(C)OC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642204	1	36	-1.0	-48.87	301.76	4.39	-44.48
C=CCC(CC=C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642205	0	40	-1.0	-39.19	325.92	5.55	-33.64
C=CCC(CC=C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642205	1	40	-1.0	-39.23	325.98	5.56	-33.67
CCC[C@@H](NC(N)=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642206	0	41	-1.0	-41.62	327.92	-0.77	-42.39
CCC[C@@H](NC(N)=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642206	1	41	-1.0	-41.63	327.98	-0.75	-42.38
CC1=CC(C)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N1	REAL250004642207	0	37	-1.0	-51.72	298.90	3.96	-47.76
CC1=CC(C)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N1	REAL250004642207	1	37	-1.0	-51.73	298.96	3.97	-47.76
CCC1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL250004642208	0	40	-1.0	-42.41	316.91	4.50	-37.91
CCC1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642208	1	40	-1.0	-42.42	316.96	4.52	-37.90
CCC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004642209	0	42	-1.0	-39.42	310.76	4.98	-34.44
CCC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004642209	1	42	-1.0	-39.40	310.82	5.00	-34.40
CC(C)CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004642210	0	45	-1.0	-39.74	332.07	5.74	-34.00
CC(C)CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642210	1	45	-1.0	-39.73	332.13	5.75	-33.98
CC1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1F	REAL250004642211	0	36	-1.0	-56.22	301.61	5.20	-51.02
CC1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1F	REAL250004642211	1	36	-1.0	-56.22	301.66	5.22	-51.00
O=C(C(C1CC1)C1CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642212	0	40	-1.0	-38.70	316.59	5.78	-32.92
O=C(C(C1CC1)C1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642212	1	40	-1.0	-38.71	316.64	5.80	-32.91
CSCCC(O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642213	0	37	-1.0	-40.89	313.31	2.31	-38.58
CSCCC(O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642213	1	37	-1.0	-40.88	313.36	2.32	-38.56
O=C([C@@H](O)C1=CC=CC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642214	0	37	-1.0	-39.91	301.14	3.17	-36.74
O=C([C@@H](O)C1=CC=CC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642214	1	37	-1.0	-39.96	301.19	3.18	-36.78
O=C([C@H](O)C1=CC=CC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642215	0	37	-1.0	-40.48	303.24	3.28	-37.20
O=C([C@H](O)C1=CC=CC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642215	1	37	-1.0	-40.52	303.29	3.29	-37.23
CC(C)(C)C(O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642216	0	39	-1.0	-39.26	296.73	2.34	-36.92
CC(C)(C)C(O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642216	1	39	-1.0	-39.27	296.78	2.36	-36.91
CC1=CC(C)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C)=C1	REAL250004642218	0	42	-1.0	-40.94	341.57	6.47	-34.47
CC1=CC(C)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)=C1	REAL250004642218	1	42	-1.0	-40.92	341.63	6.49	-34.43
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O=C(C1=NNC=C1[N+](=O)[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL250004642219	1	32	-1.0	-59.99	281.08	3.10	-56.89
CNC(=O)NCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642220	0	35	-1.0	-42.39	295.58	-1.09	-43.48
CNC(=O)NCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642220	1	35	-1.0	-42.43	295.64	-1.08	-43.51
CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004642221	0	35	-1.0	-49.59	292.49	4.20	-45.39
CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004642221	1	35	-1.0	-49.58	292.43	4.19	-45.39
O=C(C1=CC=C2N=CNC2=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642222	0	35	-1.0	-51.78	296.55	4.22	-47.56
O=C(C1=CC=C2N=CNC2=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642222	1	35	-1.0	-51.74	296.61	4.23	-47.51
O=C(C1=CC=C2N=CN=C2N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642222	1	35	-1.0	-49.53	302.64	3.60	-45.93
O=C(C1=CC=C2N=CN=C2N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642222	1	35	-1.0	-49.57	302.70	3.62	-45.95
CC1=CC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL250004642223	0	36	-1.0	-43.88	304.73	4.55	-39.33
CC1=CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642223	1	36	-1.0	-43.84	304.79	4.56	-39.28
CCCC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004642224	0	44	-1.0	-39.53	330.26	5.49	-34.04
CCCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004642224	1	44	-1.0	-39.54	330.32	5.51	-34.03
CC(C)C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004642225	0	38	-1.0	-46.42	317.43	4.51	-41.91
CC(C)C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004642225	1	38	-1.0	-46.40	317.49	4.52	-41.88
CCC(C)C(O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642226	0	39	-1.0	-38.78	303.01	2.44	-36.34
CCC(C)C(O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642226	1	39	-1.0	-38.74	303.07	2.45	-36.29
NC(=O)NC(CO)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642227	0	36	-1.0	-43.52	302.21	-5.20	-48.72
NC(=O)NC(CO)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642227	1	36	-1.0	-43.51	302.27	-5.19	-48.70
CN1CCOCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642228	0	39	-1.0	-39.92	305.98	0.14	-39.78
CN1CCOCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642228	1	39	-1.0	-39.92	306.04	0.16	-39.76
CC(C)N1C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642229	0	40	-1.0	-40.99	316.87	5.35	-35.64
CC(C)N1C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642229	1	40	-1.0	-41.03	316.92	5.37	-35.66
CC1CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC1=O	REAL250004642230	0	41	-1.0	-44.03	321.72	4.55	-39.48
CC1CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1=O	REAL250004642230	1	41	-1.0	-44.04	321.77	4.57	-39.47
O=C(C1=CN=C2C=CC=CN12)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642231	0	36	-1.0	-53.79	296.88	4.76	-49.03
O=C(C1=CN=C2C=CC=CN12)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642231	1	36	-1.0	-53.79	296.82	4.75	-49.04
CCCC(CCC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642232	0	44	-1.0	-39.65	342.19	5.93	-33.72
CCCC(CCC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642232	1	44	-1.0	-39.65	342.24	5.95	-33.70
CC1CC(=O)CCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642233	0	41	-1.0	-42.05	318.05	4.41	-37.64
CC1CC(=O)CCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642233	1	41	-1.0	-42.04	318.11	4.42	-37.62
CC1(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL250004642234	0	45	-1.0	-38.19	329.81	6.06	-32.13
CC1(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL250004642234	1	45	-1.0	-38.21	329.86	6.08	-32.13
CC1=NN=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642235	0	34	-1.0	-47.77	283.99	2.29	-45.48
CC1=NN=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642235	1	34	-1.0	-47.76	284.06	2.30	-45.46
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(O)CCSCC1	REAL250004642236	0	38	-1.0	-38.42	305.72	1.93	-36.49
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(O)CCSCC1	REAL250004642236	1	38	-1.0	-38.48	305.78	1.95	-36.53
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCO1	REAL250004642237	0	38	-1.0	-40.11	302.90	3.85	-36.26
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCO1	REAL250004642237	1	38	-1.0	-40.08	302.96	3.86	-36.22
CCN1CCOCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642238	0	42	-1.0	-39.92	324.75	0.93	-38.99
CCN1CCOCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642238	1	42	-1.0	-39.95	324.81	0.94	-39.01
COCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642239	0	39	-1.0	-38.88	301.18	2.49	-36.39
COCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642239	1	39	-1.0	-38.95	301.23	2.51	-36.44
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CCOCC1	REAL250004642240	0	43	-1.0	-40.40	330.87	3.74	-36.66
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CCOCC1	REAL250004642240	1	43	-1.0	-40.40	330.93	3.76	-36.64
O=C(CN1CCOCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642242	0	39	-1.0	-40.19	308.47	0.51	-39.68
O=C(CN1CCOCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642242	1	39	-1.0	-40.21	308.53	0.53	-39.68
CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(O)=C1	REAL250004642243	0	37	-1.0	-52.59	306.86	3.17	-49.42
CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(O)=C1	REAL250004642243	1	37	-1.0	-52.60	306.92	3.19	-49.41
O=C(C1=CC=C(O)C=C1O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642244	0	35	-1.0	-52.94	296.46	-0.32	-53.26
O=C(C1=CC=C(O)C=C1O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642244	1	35	-1.0	-52.96	296.51	-0.31	-53.27
O=C(C1=CC(F)=CC=C1O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642245	0	34	-1.0	-49.46	291.89	2.57	-46.89
O=C(C1=CC(F)=CC=C1O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642245	1	34	-1.0	-49.49	291.95	2.58	-46.91
CSC(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642246	0	36	-1.0	-40.94	302.61	4.39	-36.55
CSC(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642246	1	36	-1.0	-40.94	302.66	4.41	-36.53
CN1C(=O)C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642247	0	36	-1.0	-49.27	304.00	3.17	-46.10
CN1C(=O)C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642247	1	36	-1.0	-49.30	304.05	3.18	-46.12
NC(=O)NC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642248	0	36	-1.0	-48.91	304.29	-1.27	-50.18
NC(=O)NC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642248	1	36	-1.0	-48.97	304.35	-1.25	-50.22
CN1C=NN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004642249	0	36	-1.0	-52.04	310.71	4.00	-48.04
CN1C=NN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004642249	1	36	-1.0	-52.09	310.77	4.02	-48.07
CCC1=CC=CN=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642250	0	38	-1.0	-49.09	305.08	4.93	-44.16
CCC1=CC=CN=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642250	1	38	-1.0	-49.04	305.03	4.92	-44.12
COCCC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642251	0	40	-1.0	-40.51	324.96	3.40	-37.11
COCCC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642251	1	40	-1.0	-40.53	325.02	3.41	-37.12
CCCN1C=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004642252	0	38	-1.0	-47.72	318.46	2.96	-44.76
CCCN1C=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004642252	1	38	-1.0	-47.67	318.40	2.95	-44.72
CC1=CC(F)=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642253	0	36	-1.0	-47.62	299.71	5.20	-42.42
CC1=CC(F)=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642253	1	36	-1.0	-47.60	299.77	5.21	-42.39
CCC(SC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642254	0	36	-1.0	-39.20	302.50	4.25	-34.95
CCC(SC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642254	1	36	-1.0	-39.20	302.56	4.26	-34.94
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C=CC=C1	REAL250004642255	0	37	-1.0	-41.10	306.18	5.13	-35.97
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C=CC=C1	REAL250004642255	1	37	-1.0	-41.15	306.24	5.14	-36.01
CC(=O)CCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642256	0	43	-1.0	-48.49	328.57	4.40	-44.09
CC(=O)CCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642256	1	43	-1.0	-48.54	328.62	4.41	-44.13
CCN(CC(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004642257	1	41	-1.0	-40.15	320.66	3.06	-37.09
CCN(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642257	1	41	-1.0	-40.10	320.72	3.08	-37.02
O=C(C1=C(C2CC2)ON=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642258	0	36	-1.0	-47.09	299.95	4.31	-42.78
O=C(C1=C(C2CC2)ON=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642258	1	36	-1.0	-47.12	300.01	4.32	-42.80
O=C(C1=CC2=NC=CN2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642259	0	36	-1.0	-52.71	308.20	5.29	-47.42
O=C(C1=CC2=NC=CN2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642259	1	36	-1.0	-52.69	308.25	5.30	-47.39
CC(=O)C(C)(C)CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642260	0	43	-1.0	-47.34	338.21	4.80	-42.54
CC(=O)C(C)(C)CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642260	1	43	-1.0	-47.34	338.27	4.82	-42.52
C=CC(=O)NCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642261	0	37	-1.0	-48.47	315.01	1.46	-47.01
C=CC(=O)NCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642261	1	37	-1.0	-48.49	315.07	1.47	-47.02
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CC1(OCC(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642262	1	40	-1.0	-42.36	319.30	4.77	-37.59
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CC1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642354	1	39	-1.0	-39.62	301.25	4.92	-34.70
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CCC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL250004642356	0	45	-1.0	-39.17	320.98	5.36	-33.81
CCC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL250004642356	1	45	-1.0	-39.13	321.04	5.38	-33.75
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CN1N=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL250004642360	0	35	-1.0	-50.38	286.38	1.22	-49.16
CN1N=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL250004642360	1	35	-1.0	-50.30	286.32	1.20	-49.10
CCCC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004642361	0	38	-1.0	-46.93	318.27	2.34	-44.59
CCCC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004642361	1	38	-1.0	-46.95	318.33	2.35	-44.60
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CCC(C)(CC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642364	0	41	-1.0	-40.11	299.37	4.20	-35.91
CCC(C)(CC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642364	1	41	-1.0	-40.10	299.43	4.22	-35.88
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O=C(C1=CSC(=O)N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642365	1	30	-1.0	-44.89	268.05	0.86	-44.03
CC(C)(O)C(F)(F)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642366	0	36	-1.0	-37.05	293.47	1.91	-35.14
CC(C)(O)C(F)(F)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642366	1	36	-1.0	-37.07	293.52	1.93	-35.14
CC1=CN=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(O)=C1	REAL250004642367	0	36	-1.0	-51.92	301.28	2.74	-49.18
CC1=CN=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(O)=C1	REAL250004642367	1	36	-1.0	-51.92	301.33	2.76	-49.16
COC(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642368	0	36	-1.0	-40.12	306.62	3.73	-36.39
COC(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642368	1	36	-1.0	-40.10	306.68	3.74	-36.36
CC#CCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642369	0	37	-1.0	-42.91	312.66	5.63	-37.28
CC#CCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642369	1	37	-1.0	-42.90	312.72	5.65	-37.25
C#CCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642370	0	37	-1.0	-39.31	293.11	4.29	-35.02
C#CCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642370	1	37	-1.0	-39.30	293.17	4.31	-34.99
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCOC1	REAL250004642372	0	37	-1.0	-38.76	284.87	1.93	-36.83
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCOC1	REAL250004642372	1	37	-1.0	-38.78	284.93	1.95	-36.83
CC(CCC(C)(C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642373	0	47	-1.0	-39.53	357.10	6.22	-33.31
CC(CCC(C)(C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642373	1	47	-1.0	-39.55	357.16	6.23	-33.32
COCCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642374	0	42	-1.0	-42.05	317.54	2.79	-39.26
COCCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642374	1	42	-1.0	-42.02	317.60	2.80	-39.22
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O=C(C1C=CCCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642375	1	37	-1.0	-39.94	295.30	4.92	-35.02
COC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004642376	0	37	-1.0	-38.33	291.15	2.89	-35.44
COC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642376	1	37	-1.0	-38.31	291.21	2.91	-35.40
COC1=NOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642377	0	33	-1.0	-43.83	286.28	0.18	-43.65
COC1=NOC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642377	1	33	-1.0	-43.83	286.22	0.16	-43.67
CCOC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004642378	0	36	-1.0	-46.32	308.12	0.32	-46.00
CCOC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004642378	1	36	-1.0	-46.32	308.07	0.29	-46.03
NC(=O)C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004642379	0	34	-1.0	-58.30	292.88	-0.67	-58.97
NC(=O)C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004642379	1	34	-1.0	-58.28	292.94	-0.65	-58.93
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CCCC(C)(CC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642500	1	44	-1.0	-40.20	321.09	4.98	-35.22
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CSCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642502	1	39	-1.0	-38.73	309.49	4.29	-34.44
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CCCCC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642505	0	41	-1.0	-39.58	323.37	5.31	-34.27
CCCCC(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642505	1	41	-1.0	-39.57	323.42	5.33	-34.24
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CC(CC(N)=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642507	0	36	-1.0	-41.42	295.51	-0.09	-41.51
CC(CC(N)=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642507	1	36	-1.0	-41.50	295.57	-0.08	-41.58
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CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C(C=O)N1	REAL250004642508	1	36	-1.0	-53.13	300.09	2.48	-50.65
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COC(C)(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642511	0	39	-1.0	-41.97	304.57	3.86	-38.11
COC(C)(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642511	1	39	-1.0	-41.97	304.63	3.88	-38.09
CNC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004642512	0	37	-1.0	-53.67	300.94	2.24	-51.43
CNC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004642512	1	37	-1.0	-53.63	300.89	2.23	-51.40
CC1=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)NC=N1	REAL250004642514	0	36	-1.0	-45.18	302.44	3.65	-41.53
CC1=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)NC=N1	REAL250004642514	1	36	-1.0	-45.23	302.49	3.66	-41.57
O=C(C1=NC=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642515	0	29	-1.0	-53.65	259.00	1.60	-52.05
O=C(C1=NC=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642515	1	29	-1.0	-53.61	258.94	1.59	-52.02
CC1=C(C)SC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642516	0	35	-1.0	-47.98	304.23	3.64	-44.34
CC1=C(C)SC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642516	1	35	-1.0	-48.06	304.29	3.66	-44.40
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C(C#N)O1	REAL250004642517	0	34	-1.0	-46.37	293.36	3.78	-42.59
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C(C#N)O1	REAL250004642517	1	34	-1.0	-46.40	293.42	3.80	-42.60
O=C(CC1CCC(F)(F)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642518	0	39	-1.0	-42.74	318.19	5.42	-37.32
O=C(CC1CCC(F)(F)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642518	1	39	-1.0	-42.76	318.25	5.43	-37.33
CC(C)(C#N)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642519	0	36	-1.0	-38.90	294.54	4.10	-34.80
CC(C)(C#N)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642519	1	36	-1.0	-38.86	294.60	4.12	-34.74
CCC(C)(OC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642520	0	39	-1.0	-38.21	296.72	3.01	-35.20
CCC(C)(OC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642520	1	39	-1.0	-38.18	296.77	3.02	-35.16
O=C(C1CCC(F)(F)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642521	0	36	-1.0	-39.62	294.86	4.42	-35.20
O=C(C1CCC(F)(F)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642521	1	36	-1.0	-39.61	294.92	4.43	-35.18
CC1(C)CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL250004642522	0	40	-1.0	-43.09	315.27	4.37	-38.72
CC1(C)CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642522	1	40	-1.0	-43.14	315.32	4.39	-38.75
CCN1C=CN=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642523	0	36	-1.0	-48.57	297.26	4.56	-44.01
CCN1C=CN=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642523	1	36	-1.0	-48.56	297.21	4.54	-44.02
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)NC=C1	REAL250004642524	0	34	-1.0	-51.85	277.04	3.45	-48.40
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)NC=C1	REAL250004642524	1	34	-1.0	-51.84	277.10	3.46	-48.38
CCC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CO1	REAL250004642525	0	36	-1.0	-49.78	294.24	4.07	-45.71
CCC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CO1	REAL250004642525	1	36	-1.0	-49.80	294.30	4.09	-45.71
C#CC1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642526	0	34	-1.0	-49.47	293.60	3.80	-45.67
C#CC1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642526	1	34	-1.0	-49.49	293.66	3.81	-45.68
O=C(C1=CC=CN=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642527	0	32	-1.0	-57.96	275.98	2.68	-55.28
O=C(C1=CC=CN=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642527	1	32	-1.0	-57.99	275.93	2.67	-55.32
O=C(C1=CN=CC(O)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642528	0	33	-1.0	-50.32	277.34	-0.25	-50.57
O=C(C1=CN=CC(O)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642528	1	33	-1.0	-50.33	277.40	-0.23	-50.56
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC=N1	REAL250004642529	0	35	-1.0	-50.31	288.01	3.24	-47.07
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC=N1	REAL250004642529	1	35	-1.0	-50.35	288.07	3.25	-47.10
O=C(CCC1=NC=CN1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642530	0	36	-1.0	-42.31	302.85	3.07	-39.24
O=C(CCC1=NC=CN1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642530	1	36	-1.0	-42.34	302.91	3.08	-39.26
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL250004642531	0	38	-1.0	-44.29	312.15	4.10	-40.19
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL250004642531	1	38	-1.0	-44.35	312.21	4.12	-40.23
O=C(C1=C2NC=CC=C2N=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642532	0	36	-1.0	-58.67	298.13	2.64	-56.03
O=C(C1=C2NC=CC=C2N=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642532	1	36	-1.0	-58.68	298.18	2.66	-56.02
O=C(C1CCC(O)CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642533	0	40	-1.0	-42.76	312.26	1.80	-40.96
O=C(C1CCC(O)CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642533	1	40	-1.0	-42.78	312.32	1.81	-40.97
O=C(C1=CC=CC(CO)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642534	0	37	-1.0	-54.51	304.22	1.70	-52.81
O=C(C1=CC=CC(CO)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642534	1	37	-1.0	-54.51	304.28	1.71	-52.80
O=C(C1=CN=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642535	0	29	-1.0	-50.50	258.83	1.69	-48.81
O=C(C1=CN=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642535	1	29	-1.0	-50.57	258.77	1.67	-48.90
O=C(CC1CCCOC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642536	0	40	-1.0	-41.74	312.91	3.48	-38.26
O=C(CC1CCCOC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642536	1	40	-1.0	-41.74	312.97	3.50	-38.24
O=C(CCC1=CN=CC=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642537	0	37	-1.0	-42.02	312.45	2.75	-39.27
O=C(CCC1=CN=CC=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642537	1	37	-1.0	-42.00	312.50	2.76	-39.24
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CN1C	REAL250004642538	0	37	-1.0	-53.68	296.24	4.54	-49.14
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CN1C	REAL250004642538	1	37	-1.0	-53.64	296.30	4.55	-49.09
CC(C)N1C=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642539	0	39	-1.0	-51.18	321.26	5.76	-45.42
CC(C)N1C=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642539	1	39	-1.0	-51.16	321.20	5.74	-45.42
C=CC(C)(O)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642540	0	37	-1.0	-39.06	297.14	2.55	-36.51
C=CC(C)(O)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642540	1	37	-1.0	-39.09	297.20	2.57	-36.52
CC(=O)CSCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642541	0	35	-1.0	-61.06	309.54	3.80	-57.26
CC(=O)CSCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642541	1	35	-1.0	-61.04	309.60	3.82	-57.22
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)SCCO1	REAL250004642542	0	36	-1.0	-47.09	294.45	3.24	-43.85
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)SCCO1	REAL250004642542	1	36	-1.0	-47.11	294.51	3.26	-43.85
CC1COCCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642543	0	40	-1.0	-40.34	312.73	3.08	-37.26
CC1COCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642543	1	40	-1.0	-40.33	312.78	3.09	-37.24
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NS1	REAL250004642544	0	32	-1.0	-48.09	282.46	3.34	-44.75
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NS1	REAL250004642544	1	32	-1.0	-48.10	282.52	3.36	-44.74
CC(C)C1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CO1	REAL250004642545	0	39	-1.0	-50.01	314.22	4.70	-45.31
CC(C)C1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CO1	REAL250004642545	1	39	-1.0	-50.06	314.28	4.72	-45.34
CCC1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642546	0	38	-1.0	-50.86	309.30	4.05	-46.81
CCC1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642546	1	38	-1.0	-50.88	309.24	4.04	-46.84
CC(C)(C(N)=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642547	0	36	-1.0	-49.13	285.22	-0.49	-49.62
CC(C)(C(N)=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642547	1	36	-1.0	-49.20	285.28	-0.48	-49.68
CSC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004642548	0	37	-1.0	-38.14	305.45	4.56	-33.58
CSC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642548	1	37	-1.0	-38.17	305.51	4.57	-33.60
CC(=O)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL250004642549	0	35	-1.0	-47.39	304.60	3.50	-43.89
CC(=O)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642549	1	35	-1.0	-47.38	304.66	3.52	-43.86
O=C(CC1=NC=CC=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642551	0	35	-1.0	-44.00	302.39	3.75	-40.25
O=C(CC1=NC=CC=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642551	1	35	-1.0	-44.05	302.45	3.77	-40.28
CS(=O)(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642552	0	36	-1.0	-41.29	307.74	0.66	-40.63
CS(=O)(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642552	1	36	-1.0	-41.32	307.79	0.67	-40.65
CC1=CC=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642553	0	34	-1.0	-54.96	288.25	3.36	-51.60
CC1=CC=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642553	1	34	-1.0	-54.99	288.31	3.37	-51.62
CC(C)(O)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642554	0	36	-1.0	-39.08	286.49	2.03	-37.05
CC(C)(O)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642554	1	36	-1.0	-39.08	286.54	2.05	-37.03
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CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C(F)F	REAL250004642562	1	35	-1.0	-39.21	279.36	3.45	-35.76
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COC1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642570	0	35	-1.0	-46.00	297.89	0.54	-45.46
COC1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642570	1	35	-1.0	-45.97	297.83	0.52	-45.45
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CSC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642573	0	34	-1.0	-38.17	295.15	4.22	-33.95
CSC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642573	1	34	-1.0	-38.18	295.21	4.24	-33.94
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CC(C)[C@H](O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642576	0	36	-1.0	-40.38	284.12	1.71	-38.67
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CCC(C)CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642577	1	41	-1.0	-39.47	320.91	5.33	-34.14
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CCOC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004642579	0	43	-1.0	-37.85	325.33	4.47	-33.38
CCOC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004642579	1	43	-1.0	-37.85	325.38	4.49	-33.36
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CC1=NOC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642581	0	35	-1.0	-45.32	299.00	3.78	-41.54
CC1=NOC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642581	1	35	-1.0	-45.36	299.05	3.79	-41.57
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CCC1OCCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642583	0	40	-1.0	-38.98	314.01	3.22	-35.76
CCC1OCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642583	1	40	-1.0	-38.97	314.07	3.23	-35.74
COC(=O)COCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642584	0	36	-1.0	-62.93	311.06	3.39	-59.54
COC(=O)COCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642584	1	36	-1.0	-62.97	311.12	3.41	-59.56
CC(C)(C)CCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642585	0	47	-1.0	-39.57	361.79	6.63	-32.94
CC(C)(C)CCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642585	1	47	-1.0	-39.56	361.85	6.64	-32.92
CC(C)[C@@H](O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642586	0	36	-1.0	-38.62	283.13	1.48	-37.14
CC(C)[C@@H](O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642586	1	36	-1.0	-38.60	283.19	1.49	-37.11
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CC(O)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004642589	0	37	-1.0	-39.24	292.11	1.42	-37.82
CC(O)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642589	1	37	-1.0	-39.26	292.17	1.43	-37.83
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CC(C)(C)OCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642591	0	45	-1.0	-41.86	353.39	4.55	-37.31
CC(C)(C)OCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642591	1	45	-1.0	-41.83	353.44	4.56	-37.27
CC1(C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004642592	0	39	-1.0	-39.32	308.97	4.97	-34.35
CC1(C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642592	1	39	-1.0	-39.37	309.03	4.99	-34.38
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CS1	REAL250004642593	0	33	-1.0	-51.27	284.14	4.13	-47.14
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CS1	REAL250004642593	1	33	-1.0	-51.32	284.20	4.15	-47.17
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CC1=COC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1C	REAL250004642595	0	36	-1.0	-48.63	297.93	4.24	-44.39
CC1=COC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1C	REAL250004642595	1	36	-1.0	-48.63	297.99	4.25	-44.38
CCC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CN1	REAL250004642596	0	37	-1.0	-52.66	297.91	3.67	-48.99
CCC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CN1	REAL250004642596	1	37	-1.0	-52.65	297.96	3.68	-48.97
CC(C)C1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CN1	REAL250004642597	0	40	-1.0	-42.83	317.96	4.24	-38.59
CC(C)C1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CN1	REAL250004642597	1	40	-1.0	-42.79	318.02	4.25	-38.54
CCC(C)(C#N)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642598	0	36	-1.0	-42.14	288.53	3.28	-38.86
CCC(C)(C#N)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642598	1	36	-1.0	-42.16	288.59	3.29	-38.87
O=C(COC(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642599	0	30	-1.0	-50.99	266.30	2.30	-48.69
O=C(COC(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642599	1	30	-1.0	-51.00	266.36	2.31	-48.69
CC1=NC=CC=C1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642600	0	38	-1.0	-43.09	313.89	4.26	-38.83
CC1=NC=CC=C1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642600	1	38	-1.0	-43.11	313.95	4.27	-38.84
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COCC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC1	REAL250004642603	0	40	-1.0	-41.77	313.66	3.04	-38.73
COCC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642603	1	40	-1.0	-41.76	313.72	3.05	-38.71
CN1N=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642604	0	32	-1.0	-47.93	275.11	1.16	-46.77
CN1N=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642604	1	32	-1.0	-47.91	275.05	1.14	-46.77
O=C(C1=CN2C=NC=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642605	0	36	-1.0	-49.02	308.69	6.13	-42.89
O=C(C1=CN2C=NC=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642605	1	36	-1.0	-49.05	308.75	6.14	-42.91
O=C(C1COC(=O)N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642606	0	32	-1.0	-47.28	273.66	-0.87	-48.15
O=C(C1COC(=O)N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642606	1	32	-1.0	-47.29	273.72	-0.86	-48.15
CC1=COC(C)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642607	0	36	-1.0	-41.33	305.91	4.25	-37.08
CC1=COC(C)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642607	1	36	-1.0	-41.32	305.96	4.26	-37.06
COC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL250004642608	0	41	-1.0	-37.76	307.84	1.35	-36.41
COC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL250004642608	1	41	-1.0	-37.78	307.90	1.37	-36.41
CC(C)C1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)OC=C1	REAL250004642609	0	39	-1.0	-49.45	317.47	4.89	-44.56
CC(C)C1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)OC=C1	REAL250004642609	1	39	-1.0	-49.47	317.53	4.90	-44.57
O=C(C1=CC=NC2=NNN=C21)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642610	0	34	-1.0	-59.51	291.41	1.14	-58.37
O=C(C1=CC=NC2=NNN=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642610	1	34	-1.0	-59.52	291.46	1.16	-58.36
CC1=NC=CN1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642611	0	36	-1.0	-45.62	303.65	4.43	-41.19
CC1=NC=CN1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642611	1	36	-1.0	-45.65	303.71	4.45	-41.20
CN1N=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1Cl	REAL250004642612	0	33	-1.0	-48.41	296.15	3.15	-45.26
CN1N=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1Cl	REAL250004642612	1	33	-1.0	-48.37	296.09	3.13	-45.24
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CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642640	0	42	-1.0	-39.68	333.61	6.07	-33.61
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642640	1	42	-1.0	-39.69	333.67	6.09	-33.60
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CC1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1C	REAL250004642643	0	45	-1.0	-40.26	329.78	5.76	-34.50
CC1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1C	REAL250004642643	1	45	-1.0	-40.24	329.84	5.77	-34.47
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CC(C)CCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642645	0	41	-1.0	-39.59	324.12	5.44	-34.15
CC(C)CCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642645	1	41	-1.0	-39.61	324.18	5.46	-34.15
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CCOC1=NOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642648	0	36	-1.0	-43.67	308.14	1.13	-42.54
CCOC1=NOC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642648	1	36	-1.0	-43.64	308.08	1.12	-42.52
CC(C)(CCC(=O)N1CCC(CC2=N[N-]N=N2)C1)[N+](=O)[O-]	REAL250004642649	0	40	-1.0	-45.28	325.10	4.61	-40.67
CC(C)(CCC(=O)N1CCC(CC2=NN=N[N-]2)C1)[N+](=O)[O-]	REAL250004642649	1	40	-1.0	-45.28	325.15	4.63	-40.65
CC1=CN=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642650	0	35	-1.0	-48.66	288.37	3.36	-45.30
CC1=CN=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642650	1	35	-1.0	-48.63	288.31	3.34	-45.29
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NC(=O)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N1	REAL250004642652	0	35	-1.0	-52.67	296.49	-0.50	-53.17
NC(=O)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N1	REAL250004642652	1	35	-1.0	-52.69	296.55	-0.49	-53.18
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N#CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CS1	REAL250004642654	0	31	-1.0	-53.44	283.15	3.90	-49.54
N#CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CS1	REAL250004642654	1	31	-1.0	-53.44	283.20	3.91	-49.53
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CCC1CCCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642656	0	42	-1.0	-39.17	322.04	5.51	-33.66
CCC1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642656	1	42	-1.0	-39.16	322.10	5.53	-33.63
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CC1CCCC1(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642660	0	42	-1.0	-39.28	306.73	5.25	-34.03
CC1CCCC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642660	1	42	-1.0	-39.28	306.78	5.27	-34.01
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C(C#N)N1	REAL250004642661	0	35	-1.0	-48.74	297.36	3.21	-45.53
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C(C#N)N1	REAL250004642661	1	35	-1.0	-48.78	297.42	3.22	-45.56
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O=C(C1=CC(=O)NN=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642664	0	32	-1.0	-47.46	281.34	0.28	-47.18
O=C(C1=CC(=O)NN=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642664	1	32	-1.0	-47.46	281.40	0.30	-47.16
CC1=NOC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004642665	0	34	-1.0	-45.97	284.10	3.13	-42.84
CC1=NOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642665	1	34	-1.0	-45.97	284.16	3.15	-42.82
O=C([C@@H]1CNC(=O)O1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642666	0	32	-1.0	-48.80	271.72	-0.53	-49.33
O=C([C@@H]1CNC(=O)O1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642666	1	32	-1.0	-48.81	271.78	-0.51	-49.32
C[Si](C)(C)CCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642667	0	44	-1.0	-40.90	357.02	8.00	-32.90
C[Si](C)(C)CCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642667	1	44	-1.0	-40.86	357.08	8.01	-32.85
CC1=NN=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004642668	0	31	-1.0	-46.22	279.60	1.76	-44.46
CC1=NN=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004642668	1	31	-1.0	-46.26	279.66	1.78	-44.48
CC(F)(F)C(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642669	0	38	-1.0	-45.33	293.12	3.88	-41.45
CC(F)(F)C(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642669	1	38	-1.0	-45.40	293.18	3.89	-41.51
O=C(CSC1CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642670	0	34	-1.0	-41.14	297.17	4.76	-36.38
O=C(CSC1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642670	1	34	-1.0	-41.13	297.22	4.78	-36.35
CC1=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=NN1C	REAL250004642671	0	39	-1.0	-45.42	324.29	3.85	-41.57
CC1=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=NN1C	REAL250004642671	1	39	-1.0	-45.36	324.35	3.87	-41.49
CC1=CC(C#N)=CN=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642672	0	36	-1.0	-46.52	307.92	4.63	-41.89
CC1=CC(C#N)=CN=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642672	1	36	-1.0	-46.51	307.87	4.62	-41.89
O=C([C@H]1C[C@@H]1C1CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642673	0	37	-1.0	-39.76	305.76	5.59	-34.17
O=C([C@H]1C[C@@H]1C1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642673	1	37	-1.0	-39.80	305.82	5.60	-34.20
CC1=NN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004642674	0	36	-1.0	-48.32	304.22	3.57	-44.75
CC1=NN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004642674	1	36	-1.0	-48.34	304.28	3.59	-44.75
COC1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004642675	0	43	-1.0	-42.43	334.73	3.95	-38.48
COC1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642675	1	43	-1.0	-42.50	334.79	3.96	-38.54
CNC(=O)NCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642676	0	38	-1.0	-49.46	317.71	-0.43	-49.89
CNC(=O)NCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642676	1	38	-1.0	-49.47	317.77	-0.42	-49.89
CCN1N=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642677	0	35	-1.0	-47.56	296.92	1.99	-45.57
CCN1N=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642677	1	35	-1.0	-47.59	296.86	1.98	-45.61
CCOC1=NNC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642678	0	37	-1.0	-47.08	309.25	0.08	-47.00
CCOC1=NNC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642678	1	37	-1.0	-47.10	309.31	0.09	-47.01
O=C(C1CC2=CC=CC=C2C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642679	0	40	-1.0	-40.16	320.38	6.47	-33.69
O=C(C1CC2=CC=CC=C2C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642679	1	40	-1.0	-40.13	320.45	6.48	-33.65
O=C(C1=NC=CN2C=CN=C12)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642680	0	35	-1.0	-61.25	297.75	4.26	-56.99
O=C(C1=NC=CN2C=CN=C12)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642680	1	35	-1.0	-61.24	297.69	4.24	-57.00
CCCC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NO1	REAL250004642681	0	38	-1.0	-46.60	318.12	4.65	-41.95
CCCC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NO1	REAL250004642681	1	38	-1.0	-46.60	318.17	4.67	-41.93
N#CC1=CSC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642682	0	31	-1.0	-61.67	280.94	3.72	-57.95
N#CC1=CSC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642682	1	31	-1.0	-61.70	280.99	3.73	-57.97
O=C(CC1=NC=CN1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642683	0	33	-1.0	-48.57	280.65	2.32	-46.25
O=C(CC1=NC=CN1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642683	1	33	-1.0	-48.60	280.71	2.34	-46.26
O=C(CCC1=NOC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642684	0	35	-1.0	-42.00	298.43	3.68	-38.32
O=C(CCC1=NOC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642684	1	35	-1.0	-41.97	298.50	3.70	-38.27
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C(C)(F)F	REAL250004642685	0	35	-1.0	-44.95	289.87	3.89	-41.06
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)(F)F	REAL250004642685	1	35	-1.0	-44.95	289.93	3.91	-41.04
CC(O)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CCC1	REAL250004642686	0	40	-1.0	-38.30	308.49	2.42	-35.88
CC(O)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004642686	1	40	-1.0	-38.33	308.55	2.44	-35.89
CCN1N=NC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642687	0	35	-1.0	-46.29	288.46	1.71	-44.58
CCN1N=NC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642687	1	35	-1.0	-46.32	288.40	1.70	-44.62
CC1=NC(C)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N1	REAL250004642688	0	36	-1.0	-51.53	293.85	2.94	-48.59
CC1=NC(C)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N1	REAL250004642688	1	36	-1.0	-51.53	293.91	2.95	-48.58
CCN1N=C(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642689	0	38	-1.0	-47.32	315.45	2.57	-44.75
CCN1N=C(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642689	1	38	-1.0	-47.33	315.51	2.58	-44.75
O=CC1=CNC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642690	0	33	-1.0	-62.47	283.25	2.52	-59.95
O=CC1=CNC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642690	1	33	-1.0	-62.51	283.31	2.53	-59.98
O=C(CC1=CN=CC(O)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642691	0	36	-1.0	-44.60	307.95	0.94	-43.66
O=C(CC1=CN=CC(O)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642691	1	36	-1.0	-44.61	308.01	0.96	-43.65
COC1=CN=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004642692	0	35	-1.0	-53.12	296.36	2.05	-51.07
COC1=CN=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004642692	1	35	-1.0	-53.11	296.30	2.03	-51.08
O=C(C1CC2CCC1CC2)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642693	0	43	-1.0	-38.76	315.82	5.75	-33.01
O=C(C1CC2CCC1CC2)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642693	1	43	-1.0	-38.81	315.88	5.77	-33.04
COCN1C=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642694	0	37	-1.0	-50.42	312.37	1.47	-48.95
COCN1C=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642694	1	37	-1.0	-50.42	312.32	1.46	-48.96
C=CCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642695	0	39	-1.0	-39.74	298.87	4.31	-35.43
C=CCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642695	1	39	-1.0	-39.75	298.93	4.33	-35.42
N#CC1(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642696	0	34	-1.0	-49.19	289.97	4.17	-45.02
N#CC1(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642696	1	34	-1.0	-49.18	290.03	4.19	-44.99
CC1=CSC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642697	0	33	-1.0	-50.14	285.27	4.17	-45.97
CC1=CSC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642697	1	33	-1.0	-50.15	285.33	4.18	-45.97
CCCC(OC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642698	0	39	-1.0	-41.90	309.02	3.94	-37.96
CCCC(OC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642698	1	39	-1.0	-41.89	309.08	3.95	-37.94
O=C(C1=NC=CC=C1Cl)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642699	0	32	-1.0	-51.37	283.59	4.07	-47.30
O=C(C1=NC=CC=C1Cl)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642699	1	32	-1.0	-51.35	283.53	4.06	-47.29
O=C(C1=C(C2CC2)OC=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642700	0	36	-1.0	-49.23	303.15	2.48	-46.75
O=C(C1=C(C2CC2)OC=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642700	1	36	-1.0	-49.20	303.09	2.47	-46.73
O=C(C1=C(F)C=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642701	0	30	-1.0	-54.77	268.80	3.60	-51.17
O=C(C1=C(F)C=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642701	1	30	-1.0	-54.77	268.86	3.61	-51.16
COCC(C)C(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642702	0	42	-1.0	-41.22	330.63	3.35	-37.87
COCC(C)C(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642702	1	42	-1.0	-41.26	330.68	3.36	-37.90
CCC[C@@H]1C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642703	0	39	-1.0	-39.26	316.24	5.51	-33.75
CCC[C@@H]1C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642703	1	39	-1.0	-39.22	316.30	5.53	-33.69
CN1C=CC(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642704	0	39	-1.0	-43.32	326.29	4.08	-39.24
CN1C=CC(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642704	1	39	-1.0	-43.29	326.35	4.09	-39.20
COC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004642705	0	40	-1.0	-40.91	304.95	4.18	-36.73
COC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642705	1	40	-1.0	-40.90	305.01	4.20	-36.70
COC1CCCCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642706	0	43	-1.0	-41.99	330.80	5.30	-36.69
COC1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642706	1	43	-1.0	-42.03	330.85	5.32	-36.71
CC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(C)O1	REAL250004642707	0	35	-1.0	-47.55	293.28	1.63	-45.92
CC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(C)O1	REAL250004642707	1	35	-1.0	-47.53	293.34	1.64	-45.89
CCC(O)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642708	0	36	-1.0	-42.80	294.22	1.76	-41.04
CCC(O)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642708	1	36	-1.0	-42.81	294.28	1.78	-41.03
CC(C)N1C=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004642709	0	38	-1.0	-47.41	315.72	2.71	-44.70
CC(C)N1C=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004642709	1	38	-1.0	-47.40	315.66	2.70	-44.70
O=C(CCCC1CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642710	0	39	-1.0	-39.83	316.67	5.72	-34.11
O=C(CCCC1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642710	1	39	-1.0	-39.85	316.73	5.74	-34.11
O=C(CCC1=NC=CC=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642711	0	37	-1.0	-43.45	313.43	3.59	-39.86
O=C(CCC1=NC=CC=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642711	1	37	-1.0	-43.43	313.50	3.61	-39.82
O=C(C1=CC2=CN=CC=C2O1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642712	0	35	-1.0	-46.72	300.47	3.55	-43.17
O=C(C1=CC2=CN=CC=C2O1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642712	1	35	-1.0	-46.72	300.41	3.53	-43.19
O=C(CCC1=CN=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642713	0	35	-1.0	-40.83	308.28	3.64	-37.19
O=C(CCC1=CN=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642713	1	35	-1.0	-40.82	308.22	3.63	-37.19
CC(C)(CC(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004642714	0	42	-1.0	-38.29	318.95	5.74	-32.55
CC(C)(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642714	1	42	-1.0	-38.29	319.01	5.76	-32.53
CCC1=NC(C)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL250004642715	0	38	-1.0	-46.84	314.96	1.70	-45.14
CCC1=NC(C)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642715	1	38	-1.0	-46.85	315.02	1.72	-45.13
CN1N=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642716	0	31	-1.0	-48.96	269.90	0.69	-48.27
CN1N=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642716	1	31	-1.0	-48.94	269.84	0.67	-48.27
O=C(C1=NOC(CO)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642717	0	33	-1.0	-49.60	286.54	-0.25	-49.85
O=C(C1=NOC(CO)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642717	1	33	-1.0	-49.62	286.60	-0.24	-49.86
O=C(CC1=CC=NC(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642718	0	35	-1.0	-44.29	303.40	3.77	-40.52
O=C(CC1=CC=NC(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642718	1	35	-1.0	-44.32	303.46	3.78	-40.54
CC1=CC=C(O)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642719	0	37	-1.0	-50.29	304.73	2.28	-48.01
CC1=CC=C(O)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642719	1	37	-1.0	-50.30	304.78	2.29	-48.01
COCC1=NOC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642720	0	36	-1.0	-53.31	302.53	1.63	-51.68
COCC1=NOC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642720	1	36	-1.0	-53.31	302.59	1.64	-51.67
COC(=O)CC(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642721	0	41	-1.0	-45.85	331.64	4.63	-41.22
COC(=O)CC(C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642721	1	41	-1.0	-45.90	331.70	4.64	-41.26
O=C(C1=C(C2CC2)N=CO1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642722	0	36	-1.0	-49.03	303.08	1.84	-47.19
O=C(C1=C(C2CC2)N=CO1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642722	1	36	-1.0	-49.03	303.14	1.86	-47.17
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(F)CCCCC1	REAL250004642723	0	39	-1.0	-38.40	301.03	4.76	-33.64
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(F)CCCCC1	REAL250004642723	1	39	-1.0	-38.36	301.09	4.77	-33.59
N#CC1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642724	0	33	-1.0	-48.63	292.03	3.84	-44.79
N#CC1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642724	1	33	-1.0	-48.65	291.97	3.83	-44.82
CC(=O)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N1	REAL250004642725	0	36	-1.0	-50.40	303.29	3.11	-47.29
CC(=O)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N1	REAL250004642725	1	36	-1.0	-50.36	303.35	3.13	-47.23
O=C(CC1CCCC(=O)N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642726	0	40	-1.0	-46.00	319.81	2.19	-43.81
O=C(CC1CCCC(=O)N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642726	1	40	-1.0	-46.01	319.86	2.21	-43.80
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CNC1=CN=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004642824	0	36	-1.0	-50.24	300.79	1.34	-48.90
CNC1=CN=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004642824	1	36	-1.0	-50.22	300.73	1.31	-48.91
CC1CCCCC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642825	0	42	-1.0	-39.76	308.39	5.20	-34.56
CC1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642825	1	42	-1.0	-39.76	308.45	5.21	-34.55
NC1=NN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004642826	0	34	-1.0	-50.97	292.52	4.00	-46.97
NC1=NN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004642826	1	34	-1.0	-50.96	292.46	3.99	-46.97
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1(F)Cl	REAL250004642828	0	33	-1.0	-40.73	290.67	4.24	-36.49
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1(F)Cl	REAL250004642828	1	33	-1.0	-40.74	290.73	4.26	-36.48
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1F	REAL250004642829	0	33	-1.0	-38.25	276.00	3.78	-34.47
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1F	REAL250004642829	1	33	-1.0	-38.23	276.06	3.80	-34.43
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CN1CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)NC1=O	REAL250004642831	1	36	-1.0	-47.13	299.25	0.30	-46.83
CCC(CC)(CO)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642832	0	42	-1.0	-43.42	309.63	0.93	-42.49
CCC(CC)(CO)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642832	1	42	-1.0	-43.44	309.68	0.94	-42.50
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CC1=C(C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642833	1	43	-1.0	-38.87	333.56	6.10	-32.77
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CON1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642835	0	42	-1.0	-39.87	333.35	2.78	-37.09
CON1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642835	1	42	-1.0	-39.87	333.41	2.79	-37.08
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL250004642837	0	38	-1.0	-41.71	313.60	4.25	-37.46
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL250004642837	1	38	-1.0	-41.73	313.66	4.26	-37.47
O=C(C1CC2(CCC2)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642838	0	40	-1.0	-38.85	317.51	5.68	-33.17
O=C(C1CC2(CCC2)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642838	1	40	-1.0	-38.87	317.56	5.69	-33.18
COC1=CC=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642839	0	36	-1.0	-51.61	300.85	2.88	-48.73
COC1=CC=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642839	1	36	-1.0	-51.57	300.79	2.86	-48.71
CCN1C=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004642840	0	36	-1.0	-52.40	301.39	3.67	-48.73
CCN1C=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642840	1	36	-1.0	-52.37	301.33	3.65	-48.72
O=C(C=CC1CCCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642841	0	40	-1.0	-49.92	320.14	5.76	-44.16
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COC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642842	0	34	-1.0	-38.28	284.33	2.14	-36.14
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CCC(CO)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642880	0	36	-1.0	-41.57	290.53	0.42	-41.15
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CC(CC(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C=CN=C1	REAL250004642884	0	39	-1.0	-41.21	319.63	5.52	-35.69
CC(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C=CN=C1	REAL250004642884	1	39	-1.0	-41.20	319.69	5.54	-35.66
CCN1C=CC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004642885	0	39	-1.0	-47.87	325.64	4.21	-43.66
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CCC1=NOC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642887	0	35	-1.0	-50.84	290.36	3.31	-47.53
CCC1=NOC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642887	1	35	-1.0	-50.83	290.42	3.33	-47.50
CC(=O)NCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642888	0	42	-1.0	-48.38	325.23	1.90	-46.48
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CSCC1(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642890	0	40	-1.0	-39.39	335.43	5.77	-33.62
CSCC1(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642890	1	40	-1.0	-39.38	335.49	5.80	-33.58
CCCC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642891	0	41	-1.0	-40.03	305.37	4.49	-35.54
CCCC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642891	1	41	-1.0	-40.03	305.42	4.50	-35.53
CC1(C)OCC2CC21C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642892	0	41	-1.0	-42.31	318.81	3.41	-38.90
CC1(C)OCC2CC21C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642892	1	41	-1.0	-42.33	318.87	3.43	-38.90
CC(=CC(=O)N1CCC(CC2=N[N-]N=N2)C1)C(C)(C)C	REAL250004642893	0	42	-1.0	-48.69	324.84	5.49	-43.20
CC(=CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)(C)C	REAL250004642893	1	42	-1.0	-48.65	324.90	5.50	-43.15
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CN1C=C(C=CC(=O)N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004642895	0	36	-1.0	-53.98	311.87	2.56	-51.42
CN1C=C(C=CC(=O)N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004642895	1	36	-1.0	-53.95	311.93	2.57	-51.38
CNC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CS1	REAL250004642896	0	34	-1.0	-48.96	298.94	2.34	-46.62
CNC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CS1	REAL250004642896	1	34	-1.0	-48.98	298.89	2.32	-46.66
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CSC(C)(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642898	0	36	-1.0	-42.02	286.20	3.57	-38.45
CSC(C)(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642898	1	36	-1.0	-42.02	286.26	3.58	-38.44
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CC(C)(O)C(O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642900	0	37	-1.0	-40.68	292.13	-1.11	-41.79
CC(C)(O)C(O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642900	1	37	-1.0	-40.70	292.19	-1.09	-41.79
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC(=O)C1	REAL250004642901	0	35	-1.0	-39.79	284.24	3.08	-36.71
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COC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CO1	REAL250004642932	0	33	-1.0	-46.71	286.27	-0.62	-47.33
COC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CO1	REAL250004642932	1	33	-1.0	-46.69	286.21	-0.63	-47.32
CC1=CCC(C)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642933	0	43	-1.0	-39.85	320.53	5.42	-34.43
CC1=CCC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642933	1	43	-1.0	-39.87	320.59	5.43	-34.44
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CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642934	1	43	-1.0	-38.89	342.93	4.38	-34.51
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CC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642936	1	32	-1.0	-47.78	275.58	0.35	-47.43
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CC1=COC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642937	1	33	-1.0	-52.74	273.73	3.22	-49.52
COCC(OC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642938	0	37	-1.0	-40.90	300.37	1.89	-39.01
COCC(OC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642938	1	37	-1.0	-40.92	300.42	1.91	-39.01
C[C@H](C(=O)N1CCC(CC2=N[N-]N=N2)C1)N(C)C	REAL250004642941	1	37	-1.0	-39.82	291.77	1.23	-38.59
C[C@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)N(C)C	REAL250004642941	1	37	-1.0	-39.77	291.83	1.24	-38.53
CCC(C)(C)C(O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642942	0	42	-1.0	-39.11	310.88	2.87	-36.24
CCC(C)(C)C(O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642942	1	42	-1.0	-39.11	310.93	2.88	-36.23
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CC1=NN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)O1	REAL250004642945	0	35	-1.0	-48.13	306.37	0.40	-47.73
CC1=NN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)O1	REAL250004642945	1	35	-1.0	-48.14	306.43	0.41	-47.73
CC(CC(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CO1	REAL250004642946	0	39	-1.0	-39.71	320.89	5.07	-34.64
CC(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CO1	REAL250004642946	1	39	-1.0	-39.70	320.95	5.09	-34.61
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CN1CCC(C)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004642948	0	40	-1.0	-49.36	313.40	2.53	-46.83
CN1CCC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004642948	1	40	-1.0	-49.41	313.46	2.54	-46.87
CN1CC(O)CC1(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642949	1	42	-1.0	-41.95	313.00	-1.77	-43.72
CN1CC(O)CC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642949	1	42	-1.0	-41.97	313.06	-1.75	-43.72
CCCC(OCC)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642950	0	42	-1.0	-41.91	330.89	4.87	-37.04
CCCC(OCC)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642950	1	42	-1.0	-41.93	330.95	4.89	-37.04
COC1CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004642951	0	37	-1.0	-39.15	302.12	2.86	-36.29
COC1CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642951	1	37	-1.0	-39.16	302.17	2.87	-36.29
CCOC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1CC1	REAL250004642952	0	40	-1.0	-41.31	320.35	4.97	-36.34
CCOC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642952	1	40	-1.0	-41.30	320.41	4.98	-36.32
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CC(C)C1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642954	0	42	-1.0	-52.04	331.58	6.28	-45.76
CC(C)C1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642954	1	42	-1.0	-52.07	331.64	6.30	-45.77
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CC1C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1C1CC1	REAL250004643057	1	40	-1.0	-39.77	323.82	6.16	-33.61
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COC1=CC=CN=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643063	1	36	-1.0	-55.11	298.48	4.13	-50.98
CC1CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C)O1	REAL250004643064	0	40	-1.0	-39.85	313.02	3.40	-36.45
CC1CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)O1	REAL250004643064	1	40	-1.0	-39.84	313.08	3.42	-36.42
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CC1CCC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004643231	1	45	-1.0	-39.30	325.80	5.53	-33.77
CC(C)CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)COC1	REAL250004643232	0	43	-1.0	-39.89	319.27	3.69	-36.20
CC(C)CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)COC1	REAL250004643232	1	43	-1.0	-39.91	319.33	3.71	-36.20
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CC1=NOC(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004643234	0	38	-1.0	-42.14	320.40	4.56	-37.58
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CC1(C)C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL250004643235	0	45	-1.0	-39.86	345.06	6.24	-33.62
CC1(C)C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL250004643235	1	45	-1.0	-39.90	345.12	6.25	-33.65
NC1=CC=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643236	0	35	-1.0	-45.98	294.07	2.64	-43.34
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CC[C@H](C)[C@H](O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643240	0	39	-1.0	-38.38	300.96	2.10	-36.28
CC[C@H](C)[C@H](O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643240	1	39	-1.0	-38.45	301.01	2.12	-36.33
CC(C)CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C(C)C	REAL250004643241	0	47	-1.0	-39.57	344.74	5.88	-33.69
CC(C)CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C(C)C	REAL250004643241	1	47	-1.0	-39.55	344.80	5.90	-33.65
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C[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004643247	0	34	-1.0	-48.47	288.73	2.22	-46.25
C[C@@H](C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004643247	1	34	-1.0	-48.41	288.68	2.21	-46.20
CNC(=O)CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643248	0	36	-1.0	-42.46	301.67	0.91	-41.55
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC(F)(F)C1	REAL250004643249	0	39	-1.0	-44.29	306.39	4.68	-39.61
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC(F)(F)C1	REAL250004643249	1	39	-1.0	-44.28	306.44	4.69	-39.59
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCC(=O)C1	REAL250004643412	0	38	-1.0	-39.73	296.36	3.55	-36.18
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC(=O)C1	REAL250004643412	1	38	-1.0	-39.76	296.42	3.57	-36.19
CC1=NC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004643413	0	35	-1.0	-42.73	308.77	3.56	-39.17
CC1=NC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004643413	1	35	-1.0	-42.76	308.83	3.58	-39.18
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CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C=NN=N1	REAL250004643416	0	37	-1.0	-46.91	297.49	3.05	-43.86
CC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C=NN=N1	REAL250004643416	1	37	-1.0	-46.90	297.43	3.04	-43.86
COCC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC=CC1	REAL250004643417	0	41	-1.0	-41.54	318.92	3.58	-37.96
COCC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC=CC1	REAL250004643417	1	41	-1.0	-41.57	318.97	3.59	-37.98
CCCC(CC)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643419	0	44	-1.0	-39.19	334.11	5.90	-33.29
CCCC(CC)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643419	1	44	-1.0	-39.17	334.16	5.91	-33.26
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COCC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)OC=C1	REAL250004643422	0	37	-1.0	-48.33	310.90	2.69	-45.64
COCC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)OC=C1	REAL250004643422	1	37	-1.0	-48.36	310.96	2.70	-45.66
COC1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004643423	0	36	-1.0	-49.34	295.93	1.89	-47.45
COC1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004643423	1	36	-1.0	-49.33	295.87	1.88	-47.45
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CN1C=CN=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643425	0	33	-1.0	-48.27	275.74	3.68	-44.59
CN1C=CN=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643425	1	33	-1.0	-48.31	275.68	3.67	-44.64
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CC(C)NC(=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643427	0	36	-1.0	-43.57	298.35	0.99	-42.58
CC(C)NC(=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643427	1	36	-1.0	-43.56	298.41	1.00	-42.56
CN1N=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1F	REAL250004643428	0	33	-1.0	-47.94	286.61	2.74	-45.20
CN1N=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1F	REAL250004643428	1	33	-1.0	-47.87	286.55	2.73	-45.14
CC1(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1(F)F	REAL250004643429	0	36	-1.0	-40.30	298.63	4.64	-35.66
CC1(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1(F)F	REAL250004643429	1	36	-1.0	-40.35	298.69	4.65	-35.70
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CCC1(C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643463	1	42	-1.0	-39.17	326.23	5.61	-33.56
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CC(CC1CCC1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643485	1	42	-1.0	-39.55	325.97	5.78	-33.77
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CC(C)C(C)C(C)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643636	0	47	-1.0	-39.03	347.15	6.10	-32.93
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CC1(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCO1	REAL250004643641	1	40	-1.0	-40.65	309.47	4.34	-36.31
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CC1=NN(C)C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004643647	0	39	-1.0	-45.21	324.26	3.68	-41.53
CC1=NN(C)C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004643647	1	39	-1.0	-45.22	324.32	3.69	-41.53
CCC(C)CC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643648	0	44	-1.0	-38.98	336.16	5.66	-33.32
CCC(C)CC(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643648	1	44	-1.0	-39.00	336.21	5.68	-33.32
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CC1(C)CC2(CC2C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643650	0	43	-1.0	-39.34	339.77	6.33	-33.01
CC1(C)CC2(CC2C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643650	1	43	-1.0	-39.33	339.82	6.34	-32.99
O=C(C1CCCC12CCC2)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643651	0	43	-1.0	-39.45	325.41	6.08	-33.37
O=C(C1CCCC12CCC2)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643651	1	43	-1.0	-39.43	325.46	6.09	-33.34
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CC12CC(CC(=O)N3CCC(CC4=N[N-]N=N4)C3)(C1)CO2	REAL250004643654	0	41	-1.0	-42.09	325.10	3.72	-38.37
CC12CC(CC(=O)N3CCC(CC4=NN=N[N-]4)C3)(C1)CO2	REAL250004643654	1	41	-1.0	-42.08	325.16	3.74	-38.34
C[C@@H]1C[C@@]2(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C[C@@H]12	REAL250004643655	0	37	-1.0	-39.89	299.58	5.05	-34.84
C[C@@H]1C[C@@]2(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C[C@@H]12	REAL250004643655	1	37	-1.0	-39.88	299.63	5.06	-34.82
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CCC1=NOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643712	1	37	-1.0	-45.72	305.37	4.04	-41.68
O=C(C(F)C1CCOCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643713	0	40	-1.0	-39.37	315.38	3.40	-35.97
O=C(C(F)C1CCOCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643713	1	40	-1.0	-39.40	315.44	3.42	-35.98
CCC1=CC=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004643714	0	38	-1.0	-50.02	314.04	4.96	-45.06
CCC1=CC=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004643714	1	38	-1.0	-50.05	314.09	4.97	-45.08
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)SN=C1	REAL250004643715	0	32	-1.0	-46.77	276.97	2.90	-43.87
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)SN=C1	REAL250004643715	1	32	-1.0	-46.81	276.91	2.88	-43.93
CC(C)(CCC#N)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643716	0	39	-1.0	-46.55	304.72	4.23	-42.32
CC(C)(CCC#N)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643716	1	39	-1.0	-46.51	304.78	4.25	-42.26
CC(C)(F)C(C)(F)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643717	0	38	-1.0	-39.86	298.92	4.16	-35.70
CC(C)(F)C(C)(F)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643717	1	38	-1.0	-39.88	298.97	4.18	-35.70
N#CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC2CC2C1	REAL250004643718	0	38	-1.0	-40.94	306.74	4.79	-36.15
N#CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC2CC2C1	REAL250004643718	1	38	-1.0	-40.94	306.80	4.80	-36.14
O=C([C@H]1CC(=O)N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643719	0	31	-1.0	-45.59	266.29	-1.13	-46.72
O=C([C@H]1CC(=O)N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643719	1	31	-1.0	-45.59	266.34	-1.11	-46.70
CC1(C)NC(=O)CC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643720	0	40	-1.0	-41.52	314.41	1.25	-40.27
CC1(C)NC(=O)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643720	1	40	-1.0	-41.54	314.47	1.26	-40.28
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643721	0	38	-1.0	-45.18	308.25	1.56	-43.62
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643721	1	38	-1.0	-45.22	308.31	1.57	-43.65
CC1CC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C)O1	REAL250004643722	0	43	-1.0	-39.23	338.21	4.16	-35.07
CC1CC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)O1	REAL250004643722	1	43	-1.0	-39.26	338.26	4.17	-35.09
O=C(C1=COC(Cl)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643723	0	30	-1.0	-50.51	271.89	3.13	-47.38
O=C(C1=COC(Cl)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643723	1	30	-1.0	-50.51	271.94	3.15	-47.36
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)SC(F)=C1	REAL250004643724	0	33	-1.0	-46.04	286.98	4.32	-41.72
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)SC(F)=C1	REAL250004643724	1	33	-1.0	-46.08	287.04	4.33	-41.75
CC1(C)[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)[C@@H]1C(F)F	REAL250004643725	0	39	-1.0	-42.74	309.26	5.15	-37.59
CC1(C)[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)[C@@H]1C(F)F	REAL250004643725	1	39	-1.0	-42.74	309.32	5.16	-37.58
O=C(C1C2C3CC1CC32)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643726	0	38	-1.0	-39.81	294.15	5.26	-34.55
O=C(C1C2C3CC1CC32)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643726	1	38	-1.0	-39.78	294.20	5.28	-34.50
CC(C)CCCOCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643727	0	45	-1.0	-52.98	358.62	5.77	-47.21
CC(C)CCCOCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643727	1	45	-1.0	-53.02	358.68	5.79	-47.23
O=C(C=CC1CCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643728	0	37	-1.0	-49.85	303.22	5.21	-44.64
O=C(C=CC1CCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643728	1	37	-1.0	-49.87	303.28	5.23	-44.64
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CN1C	REAL250004643729	0	37	-1.0	-53.12	301.09	4.60	-48.52
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CN1C	REAL250004643729	1	37	-1.0	-53.14	301.14	4.61	-48.53
O=C(CC1=CN=NS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643730	0	31	-1.0	-43.90	280.82	2.24	-41.66
O=C(CC1=CN=NS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643730	1	31	-1.0	-43.94	280.88	2.26	-41.68
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643732	0	40	-1.0	-40.88	329.33	6.90	-33.98
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643732	1	40	-1.0	-40.84	329.39	6.91	-33.93
O=C(CCCC1=N[N-]N=N1)NC1CC1C1CCCC1	REAL250004643733	0	39	-1.0	-45.90	310.43	5.08	-40.82
O=C(CCCC1=NN=N[N-]1)NC1CC1C1CCCC1	REAL250004643733	1	39	-1.0	-45.92	310.49	5.10	-40.82
O=C(NC1CC1C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004643734	0	39	-1.0	-34.96	321.18	4.86	-30.10
O=C(NC1CC1C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004643734	1	39	-1.0	-34.92	321.24	4.86	-30.06
CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@@H](C)CC	REAL250004643735	0	43	-1.0	-44.87	346.74	4.47	-40.40
CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@@H](C)CC	REAL250004643735	1	43	-1.0	-44.96	346.80	4.48	-40.48
CCC(=O)N1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004643736	0	39	-1.0	-50.19	322.41	2.03	-48.16
CCC(=O)N1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004643736	1	39	-1.0	-50.21	322.47	2.04	-48.17
CCOCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643737	0	30	-1.0	-36.13	277.42	3.93	-32.20
CCOCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643737	1	30	-1.0	-36.14	277.46	3.93	-32.21
CC(C)=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643738	0	30	-1.0	-34.97	271.35	4.67	-30.30
CC(C)=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643738	1	30	-1.0	-34.95	271.38	4.67	-30.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004643739	0	30	-1.0	-37.16	278.22	6.00	-31.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004643739	1	30	-1.0	-37.31	277.25	5.97	-31.34
CC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643740	0	32	-1.0	-34.17	281.06	5.06	-29.11
CC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643740	1	32	-1.0	-34.18	281.10	5.06	-29.12
CC(C)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643741	0	35	-1.0	-34.11	303.40	5.75	-28.36
CC(C)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643741	1	35	-1.0	-34.08	303.44	5.75	-28.33
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCO1	REAL250004643742	0	31	-1.0	-35.68	278.96	4.19	-31.49
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCO1	REAL250004643742	1	31	-1.0	-35.65	279.00	4.19	-31.46
CSCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643743	0	27	-1.0	-35.32	265.90	4.13	-31.19
CSCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643743	1	27	-1.0	-35.27	265.94	4.13	-31.14
CSCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643744	0	30	-1.0	-34.23	287.57	4.94	-29.29
CSCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643744	1	30	-1.0	-34.19	287.61	4.94	-29.25
CC(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643745	0	31	-1.0	-37.87	287.54	4.38	-33.49
CC(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643745	1	31	-1.0	-37.90	287.58	4.38	-33.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CO1	REAL250004643746	0	27	-1.0	-38.55	262.45	4.01	-34.54
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CO1	REAL250004643746	1	27	-1.0	-38.56	262.49	4.01	-34.55
CC(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643747	0	30	-1.0	-37.57	281.52	1.38	-36.19
CC(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643747	1	30	-1.0	-37.56	281.56	1.39	-36.17
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)F	REAL250004643748	0	23	-1.0	-32.97	234.13	3.14	-29.83
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)F	REAL250004643748	1	23	-1.0	-32.93	234.18	3.14	-29.79
CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643749	0	26	-1.0	-34.48	241.81	3.67	-30.81
CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643749	1	26	-1.0	-34.49	241.86	3.68	-30.81
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1	REAL250004643750	0	27	-1.0	-35.11	252.33	4.44	-30.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1	REAL250004643750	1	27	-1.0	-35.10	252.37	4.45	-30.65
COCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643751	0	27	-1.0	-36.06	255.56	2.97	-33.09
COCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643751	1	27	-1.0	-36.05	255.60	2.97	-33.08
CC1CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643752	0	30	-1.0	-35.25	273.73	5.11	-30.14
CC1CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643752	1	30	-1.0	-35.22	273.77	5.12	-30.10
CC=CC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643753	0	31	-1.0	-36.29	291.55	5.74	-30.55
CC=CC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643753	1	31	-1.0	-36.24	291.60	5.74	-30.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1	REAL250004643754	0	30	-1.0	-34.86	268.55	4.96	-29.90
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL250004643754	1	30	-1.0	-34.87	268.59	4.96	-29.91
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL250004643755	0	33	-1.0	-34.29	285.62	5.56	-28.73
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC1	REAL250004643755	1	33	-1.0	-34.37	285.66	5.56	-28.81
CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643756	0	29	-1.0	-34.32	264.33	4.47	-29.85
CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643756	1	29	-1.0	-34.30	264.38	4.47	-29.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC=C1	REAL250004643757	0	27	-1.0	-36.62	261.62	3.98	-32.64
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC=C1	REAL250004643757	1	27	-1.0	-36.49	260.63	3.96	-32.53
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CN1	REAL250004643758	0	28	-1.0	-35.98	265.32	3.80	-32.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CN1	REAL250004643758	1	28	-1.0	-35.99	265.37	3.80	-32.19
CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643759	0	32	-1.0	-34.29	285.84	5.25	-29.04
CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643759	1	32	-1.0	-34.27	285.88	5.25	-29.02
CCCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643760	0	35	-1.0	-34.21	307.33	6.03	-28.18
CCCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643760	1	35	-1.0	-34.17	307.37	6.03	-28.14
CC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643761	0	35	-1.0	-33.64	296.03	5.58	-28.06
CC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643761	1	35	-1.0	-33.66	296.07	5.58	-28.08
CC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643762	0	29	-1.0	-34.54	262.19	4.34	-30.20
CC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643762	1	29	-1.0	-34.51	262.24	4.34	-30.17
CCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643763	0	32	-1.0	-34.56	280.32	4.99	-29.57
CCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643763	1	32	-1.0	-34.54	280.36	4.99	-29.55
O=C(CC1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643764	0	30	-1.0	-34.38	273.79	5.24	-29.14
O=C(CC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643764	1	30	-1.0	-34.39	273.83	5.24	-29.15
COC(=O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643765	0	29	-1.0	-38.70	274.78	4.55	-34.15
COC(=O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643765	1	29	-1.0	-38.69	274.83	4.55	-34.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC=C1	REAL250004643766	0	27	-1.0	-42.31	261.04	2.45	-39.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC=C1	REAL250004643766	1	27	-1.0	-42.38	260.04	2.43	-39.95
CCC(CC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643767	0	35	-1.0	-34.72	295.63	5.54	-29.18
CCC(CC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643767	1	35	-1.0	-34.78	295.67	5.54	-29.24
CSC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643768	0	30	-1.0	-35.11	284.45	4.70	-30.41
CSC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643768	1	30	-1.0	-35.05	284.50	4.70	-30.35
CCOC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643769	0	33	-1.0	-35.87	296.89	4.63	-31.24
CCOC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643769	1	33	-1.0	-35.85	296.94	4.63	-31.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNN=C1	REAL250004643770	0	27	-1.0	-37.94	260.33	2.43	-35.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNN=C1	REAL250004643770	1	27	-1.0	-37.96	260.37	2.44	-35.52
COCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643771	0	33	-1.0	-35.75	298.01	3.54	-32.21
COCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643771	1	33	-1.0	-35.75	298.05	3.54	-32.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC=C1	REAL250004643772	0	26	-1.0	-41.78	256.98	3.26	-38.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NOC=C1	REAL250004643772	1	26	-1.0	-41.81	256.93	3.26	-38.55
COC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643773	0	30	-1.0	-35.84	275.67	3.66	-32.18
COC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643773	1	30	-1.0	-35.79	275.71	3.67	-32.12
CCC=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643774	0	33	-1.0	-36.05	291.51	5.76	-30.29
CCC=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643774	1	33	-1.0	-36.00	291.55	5.77	-30.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL250004643775	0	31	-1.0	-33.81	275.74	2.94	-30.87
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL250004643775	1	31	-1.0	-33.74	275.78	2.95	-30.79
COC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643776	0	30	-1.0	-35.84	275.67	3.66	-32.18
COC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643776	1	30	-1.0	-35.79	275.71	3.67	-32.12
CC(C)OCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643777	0	33	-1.0	-36.06	297.69	4.66	-31.40
CC(C)OCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643777	1	33	-1.0	-36.04	297.73	4.66	-31.38
CCCOCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643778	0	33	-1.0	-35.94	298.91	4.73	-31.21
CCCOCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643778	1	33	-1.0	-35.95	298.96	4.73	-31.22
CCC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643779	0	33	-1.0	-34.55	295.01	4.50	-30.05
CCC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643779	1	33	-1.0	-34.53	295.07	4.50	-30.03
COC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643780	0	33	-1.0	-35.17	295.65	4.22	-30.95
COC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643780	1	33	-1.0	-35.19	295.69	4.23	-30.96
C=CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643781	0	30	-1.0	-34.30	277.15	5.03	-29.27
C=CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643781	1	30	-1.0	-34.29	277.19	5.03	-29.26
CCOCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643782	0	33	-1.0	-34.47	298.37	3.74	-30.73
CCOCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643782	1	33	-1.0	-34.43	298.41	3.74	-30.69
COCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643783	0	30	-1.0	-34.46	276.51	2.77	-31.69
COCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643783	1	30	-1.0	-34.42	276.55	2.77	-31.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COCC1	REAL250004643784	0	29	-1.0	-36.38	269.51	3.54	-32.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COCC1	REAL250004643784	1	29	-1.0	-36.38	269.55	3.54	-32.84
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC=C1	REAL250004643785	0	28	-1.0	-40.67	265.74	3.87	-36.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNC=C1	REAL250004643785	1	28	-1.0	-40.63	265.79	3.88	-36.75
CN(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643786	1	31	-1.0	-34.63	276.38	2.04	-32.59
CCCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643787	0	35	-1.0	-34.18	302.23	5.76	-28.42
CCCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643787	1	35	-1.0	-34.19	302.28	5.76	-28.43
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC=N1	REAL250004643788	0	27	-1.0	-45.10	260.14	3.50	-41.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNC=N1	REAL250004643788	1	27	-1.0	-45.13	260.18	3.50	-41.63
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC=N1	REAL250004643789	0	26	-1.0	-41.51	256.24	0.57	-40.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC=N1	REAL250004643789	1	26	-1.0	-41.29	257.24	0.58	-40.71
CC(C#N)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643790	0	27	-1.0	-34.85	262.04	3.98	-30.87
CC(C#N)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643790	1	27	-1.0	-34.86	262.08	3.98	-30.88
COCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643791	0	33	-1.0	-34.42	295.03	3.46	-30.96
COCC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643791	1	33	-1.0	-34.38	295.07	3.46	-30.92
C=CCOCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643792	0	31	-1.0	-36.32	290.32	4.51	-31.81
C=CCOCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643792	1	31	-1.0	-36.33	290.36	4.51	-31.82
O=C(CCC1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643793	0	33	-1.0	-34.15	295.94	6.02	-28.13
O=C(CCC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643793	1	33	-1.0	-34.16	295.98	6.03	-28.13
CC(C)C(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643794	0	35	-1.0	-34.35	296.22	5.56	-28.79
CC(C)C(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643794	1	35	-1.0	-34.28	296.26	5.56	-28.72
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC=CC1	REAL250004643795	0	31	-1.0	-34.37	278.39	5.47	-28.90
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC=CC1	REAL250004643795	1	31	-1.0	-34.35	278.43	5.48	-28.87
O=C(CC1CCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643796	0	33	-1.0	-34.51	290.74	5.75	-28.76
O=C(CC1CCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643796	1	33	-1.0	-34.46	290.78	5.76	-28.70
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1	REAL250004643797	0	33	-1.0	-34.63	292.11	5.82	-28.81
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1	REAL250004643797	1	33	-1.0	-34.57	292.16	5.84	-28.73
CC=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643798	0	30	-1.0	-36.30	271.08	4.99	-31.31
CC=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643798	1	30	-1.0	-36.28	271.12	4.99	-31.29
CC(C)=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643799	0	33	-1.0	-36.32	286.81	5.67	-30.65
CC(C)=C(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643799	1	33	-1.0	-36.30	286.86	5.67	-30.63
CSC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643800	0	28	-1.0	-36.35	278.44	4.62	-31.73
CSC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643800	1	28	-1.0	-36.34	278.48	4.63	-31.71
C=CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643801	0	33	-1.0	-34.36	298.65	5.81	-28.55
C=CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643801	1	33	-1.0	-34.33	298.69	5.81	-28.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CCCC1	REAL250004643802	0	31	-1.0	-36.75	279.33	5.56	-31.19
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CCCC1	REAL250004643802	1	31	-1.0	-36.66	279.37	5.57	-31.09
O=C(C=C1CCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643803	0	31	-1.0	-36.60	280.98	5.66	-30.94
O=C(C=C1CCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643803	1	31	-1.0	-36.60	281.03	5.67	-30.93
CC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL250004643804	0	33	-1.0	-34.56	289.57	5.60	-28.96
CC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL250004643804	1	33	-1.0	-34.50	289.61	5.61	-28.89
CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643805	0	27	-1.0	-33.54	253.96	1.45	-32.09
CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643805	1	27	-1.0	-33.51	254.00	1.45	-32.06
CC1(C)C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643806	0	33	-1.0	-34.85	288.93	5.66	-29.19
CC1(C)C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643806	1	33	-1.0	-35.12	289.99	5.69	-29.43
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCO1	REAL250004643807	0	28	-1.0	-36.30	260.30	3.21	-33.09
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCO1	REAL250004643807	1	28	-1.0	-36.25	260.35	3.21	-33.04
O=C(CO)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643808	0	24	-1.0	-37.43	233.31	0.69	-36.74
O=C(CO)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643808	1	24	-1.0	-37.44	233.35	0.69	-36.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(=O)C1	REAL250004643809	0	29	-1.0	-34.66	272.30	4.06	-30.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(=O)C1	REAL250004643809	1	29	-1.0	-34.68	272.34	4.07	-30.61
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CO1	REAL250004643810	0	26	-1.0	-37.24	257.28	0.70	-36.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CO1	REAL250004643810	1	26	-1.0	-37.20	257.23	0.71	-36.49
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC=N1	REAL250004643811	0	26	-1.0	-44.12	254.83	3.09	-41.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC=N1	REAL250004643811	1	26	-1.0	-44.12	254.88	3.09	-41.03
CC1(C)CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643812	0	33	-1.0	-34.87	288.93	5.66	-29.21
CC1(C)CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643812	1	33	-1.0	-34.82	288.97	5.67	-29.15
O=C(CCCCO)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643813	0	33	-1.0	-35.97	297.25	1.90	-34.07
O=C(CCCCO)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643813	1	33	-1.0	-35.98	297.30	1.92	-34.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CCCO1	REAL250004643814	0	31	-1.0	-36.67	277.94	4.15	-32.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCCO1	REAL250004643814	1	31	-1.0	-36.67	277.98	4.16	-32.51
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CCCO1	REAL250004643815	0	31	-1.0	-36.90	277.83	4.12	-32.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CCCO1	REAL250004643815	1	31	-1.0	-36.86	277.87	4.13	-32.73
N#CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643816	0	24	-1.0	-36.94	242.30	3.38	-33.56
N#CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643816	1	24	-1.0	-36.98	242.34	3.38	-33.60
C#CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643817	0	28	-1.0	-34.63	270.12	4.98	-29.65
C#CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643817	1	28	-1.0	-34.66	270.16	4.99	-29.67
C#CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643818	0	31	-1.0	-35.92	291.62	5.77	-30.15
C#CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643818	1	31	-1.0	-35.93	291.66	5.77	-30.16
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL250004643819	0	33	-1.0	-34.33	293.29	5.70	-28.63
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL250004643819	1	33	-1.0	-34.31	293.35	5.70	-28.61
CCC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643820	0	35	-1.0	-34.15	299.29	5.73	-28.42
CCC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643820	1	35	-1.0	-34.13	299.33	5.73	-28.40
CC#CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643821	0	25	-1.0	-38.48	249.95	4.32	-34.16
CC#CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643821	1	25	-1.0	-38.45	249.99	4.33	-34.12
C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643822	0	30	-1.0	-35.05	274.72	5.13	-29.92
C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643822	1	30	-1.0	-35.01	274.77	5.13	-29.88
CC(C)C(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643823	0	32	-1.0	-35.31	289.24	4.97	-30.34
CC(C)C(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643823	1	32	-1.0	-35.25	289.28	4.98	-30.27
C[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643824	0	27	-1.0	-37.08	252.44	1.47	-35.61
C[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643824	1	27	-1.0	-37.10	252.48	1.47	-35.63
C[C@@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643825	0	27	-1.0	-34.60	253.00	1.42	-33.18
C[C@@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643825	1	27	-1.0	-34.59	253.05	1.42	-33.17
C[C@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643826	0	30	-1.0	-35.02	273.71	5.11	-29.91
C[C@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643826	1	30	-1.0	-35.32	274.77	5.14	-30.18
C=C(CO)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643827	0	28	-1.0	-34.98	263.28	1.03	-33.95
C=C(CO)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643827	1	28	-1.0	-34.96	263.33	1.03	-33.93
CC(C)(O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643828	0	33	-1.0	-36.20	289.83	2.70	-33.50
CC(C)(O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643828	1	33	-1.0	-36.18	289.86	2.70	-33.48
CC=C(CC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643829	0	33	-1.0	-36.59	292.19	5.69	-30.90
CC=C(CC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643829	1	33	-1.0	-36.75	291.15	5.67	-31.08
CC(C)[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643830	0	33	-1.0	-33.50	290.23	2.96	-30.54
CC(C)[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643830	1	33	-1.0	-33.46	290.27	2.96	-30.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)C1CC1	REAL250004643831	0	31	-1.0	-33.87	280.61	3.22	-30.65
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)C1CC1	REAL250004643831	1	31	-1.0	-33.83	280.66	3.22	-30.61
CC(C)[C@@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643832	0	33	-1.0	-34.53	287.63	3.29	-31.24
CC(C)[C@@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643832	1	33	-1.0	-34.54	287.68	3.30	-31.24
CON=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643833	0	27	-1.0	-34.82	265.28	2.26	-32.56
CON=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643833	1	27	-1.0	-34.81	265.32	2.28	-32.53
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=CN1	REAL250004643834	0	27	-1.0	-42.21	261.31	2.73	-39.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=CN1	REAL250004643834	1	27	-1.0	-42.15	261.36	2.74	-39.41
CC(C)C#CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643835	0	31	-1.0	-37.55	292.21	5.73	-31.82
CC(C)C#CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643835	1	31	-1.0	-37.45	292.26	5.73	-31.72
CC[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643836	0	33	-1.0	-34.85	295.11	5.88	-28.97
CC[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643836	1	33	-1.0	-34.86	295.15	5.88	-28.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1(F)F	REAL250004643837	0	27	-1.0	-34.36	264.84	4.66	-29.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1(F)F	REAL250004643837	1	27	-1.0	-34.34	264.89	4.67	-29.67
COCC#CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643838	0	29	-1.0	-39.80	283.59	3.39	-36.41
COCC#CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643838	1	29	-1.0	-38.24	283.63	3.39	-34.85
CCC(C)=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643839	0	33	-1.0	-35.70	293.96	5.75	-29.95
CCC(C)=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643839	1	33	-1.0	-35.71	294.02	5.76	-29.95
CCC1CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643840	0	33	-1.0	-34.93	296.13	5.90	-29.03
CCC1CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643840	1	33	-1.0	-34.94	296.17	5.91	-29.03
C=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643841	0	28	-1.0	-33.65	264.19	2.19	-31.46
C=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643841	1	28	-1.0	-33.61	264.23	2.19	-31.42
N#CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643842	0	30	-1.0	-39.26	285.19	4.98	-34.28
N#CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643842	1	30	-1.0	-39.26	285.23	4.99	-34.27
CC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643843	0	26	-1.0	-35.45	254.61	3.88	-31.57
CC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643843	1	26	-1.0	-35.46	254.66	3.88	-31.58
CCC(O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643844	0	33	-1.0	-36.50	295.01	2.77	-33.73
CCC(O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643844	1	33	-1.0	-36.46	295.05	2.77	-33.69
CC1CC1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643845	0	33	-1.0	-34.52	295.15	5.91	-28.61
CC1CC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643845	1	33	-1.0	-34.53	295.19	5.92	-28.61
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(=O)N1	REAL250004643846	0	28	-1.0	-35.84	266.74	0.12	-35.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(=O)N1	REAL250004643846	1	28	-1.0	-35.80	266.78	0.13	-35.67
O=C(C#CC1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643847	0	29	-1.0	-37.83	280.86	5.88	-31.95
O=C(C#CC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643847	1	29	-1.0	-37.71	280.90	5.88	-31.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC12CC2	REAL250004643848	0	31	-1.0	-35.32	285.80	5.93	-29.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC12CC2	REAL250004643848	1	31	-1.0	-35.32	285.84	5.94	-29.38
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1(F)CC1	REAL250004643849	0	27	-1.0	-35.48	259.66	4.52	-30.96
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1(F)CC1	REAL250004643849	1	27	-1.0	-35.48	259.69	4.53	-30.95
CC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643850	0	27	-1.0	-36.54	261.37	4.37	-32.17
CC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643850	1	27	-1.0	-36.53	261.41	4.37	-32.16
CCC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643851	0	30	-1.0	-36.46	281.67	5.11	-31.35
CCC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643851	1	30	-1.0	-36.44	281.72	5.11	-31.33
COC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643852	0	31	-1.0	-36.94	279.80	2.61	-34.33
COC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643852	1	31	-1.0	-36.89	279.84	2.61	-34.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CSC1	REAL250004643853	0	28	-1.0	-32.65	269.43	4.62	-28.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CSC1	REAL250004643853	1	28	-1.0	-32.65	269.48	4.63	-28.02
CCC(CO)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643854	0	33	-1.0	-33.29	290.36	1.78	-31.51
CCC(CO)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643854	1	33	-1.0	-33.28	290.40	1.79	-31.49
CCC(C#N)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643855	0	30	-1.0	-39.65	282.54	4.62	-35.03
CCC(C#N)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643855	1	30	-1.0	-39.57	282.58	4.63	-34.94
CC=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643856	0	31	-1.0	-33.85	285.90	3.04	-30.81
CC=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643856	1	31	-1.0	-33.80	285.94	3.04	-30.76
CCCC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643857	0	33	-1.0	-35.55	298.98	5.85	-29.70
CCCC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643857	1	33	-1.0	-35.53	299.02	5.85	-29.68
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C	REAL250004643858	1	34	-1.0	-34.45	288.91	2.42	-32.03
CC(CF)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643859	0	29	-1.0	-33.14	268.17	4.47	-28.67
CC(CF)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643859	1	29	-1.0	-33.15	268.22	4.47	-28.68
C[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C	REAL250004643860	1	34	-1.0	-34.75	289.93	2.40	-32.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1C[C@@H](O)C1	REAL250004643861	0	31	-1.0	-37.41	279.99	1.53	-35.88
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1C[C@@H](O)C1	REAL250004643861	1	31	-1.0	-37.35	280.03	1.54	-35.81
CC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643862	0	27	-1.0	-35.87	256.39	4.31	-31.56
CC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643862	1	27	-1.0	-35.80	256.43	4.31	-31.49
CCC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643863	0	30	-1.0	-35.67	277.48	5.07	-30.60
CCC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643863	1	30	-1.0	-35.64	277.52	5.07	-30.57
NC(=O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643864	0	24	-1.0	-38.49	238.16	-0.98	-39.47
NC(=O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643864	1	24	-1.0	-38.47	238.21	-0.97	-39.44
CC(Cl)=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643865	0	27	-1.0	-35.76	268.37	4.82	-30.94
CC(Cl)=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643865	1	27	-1.0	-35.72	268.41	4.82	-30.90
C=C1CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643866	0	28	-1.0	-35.80	266.93	5.03	-30.77
C=C1CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643866	1	28	-1.0	-35.77	266.97	5.05	-30.72
NC(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643867	0	30	-1.0	-39.32	280.52	0.53	-38.79
NC(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643867	1	30	-1.0	-39.30	280.56	0.53	-38.77
COCC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643868	0	31	-1.0	-36.62	289.75	3.35	-33.27
COCC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643868	1	31	-1.0	-36.59	289.79	3.35	-33.24
C=CC=CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643869	0	31	-1.0	-34.78	291.00	5.67	-29.11
C=CC=CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643869	1	31	-1.0	-34.76	291.04	5.67	-29.09
O=C(COC1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643870	0	31	-1.0	-36.48	286.76	4.68	-31.80
O=C(COC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643870	1	31	-1.0	-36.46	286.80	4.68	-31.78
C=C(CC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643871	0	30	-1.0	-36.18	274.43	4.95	-31.23
C=C(CC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643871	1	30	-1.0	-36.20	274.47	4.95	-31.25
CCC[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643872	0	33	-1.0	-34.24	294.96	3.04	-31.20
CCC[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643872	1	33	-1.0	-34.22	295.01	3.04	-31.18
CCOC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643873	0	31	-1.0	-37.83	289.45	3.94	-33.89
CCOC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643873	1	31	-1.0	-37.82	289.50	3.94	-33.88
O=C(C=CCO)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643874	0	28	-1.0	-37.91	267.49	0.95	-36.96
O=C(C=CCO)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643874	1	28	-1.0	-37.94	267.54	0.95	-36.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1F	REAL250004643875	0	30	-1.0	-36.05	276.20	5.07	-30.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1F	REAL250004643875	1	30	-1.0	-36.01	276.24	5.07	-30.94
C=C(CCC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643876	0	33	-1.0	-36.39	295.92	5.73	-30.66
C=C(CCC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643876	1	33	-1.0	-36.40	295.97	5.73	-30.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1CF	REAL250004643877	0	30	-1.0	-35.59	281.32	5.27	-30.32
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1CF	REAL250004643877	1	30	-1.0	-35.52	281.36	5.28	-30.24
N#C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643878	0	28	-1.0	-34.64	273.33	4.86	-29.78
N#C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643878	1	28	-1.0	-34.63	273.37	4.87	-29.76
N#C[C@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643879	0	28	-1.0	-41.38	270.32	4.78	-36.60
N#C[C@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643879	1	28	-1.0	-41.36	270.37	4.78	-36.58
C=C(C)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643880	0	33	-1.0	-34.25	298.76	5.69	-28.56
C=C(C)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643880	1	33	-1.0	-34.24	298.80	5.69	-28.55
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)=C1CC1	REAL250004643881	0	31	-1.0	-36.98	284.53	5.91	-31.07
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)=C1CC1	REAL250004643881	1	31	-1.0	-36.95	284.57	5.91	-31.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(F)C1	REAL250004643882	0	30	-1.0	-34.10	275.12	5.05	-29.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(F)C1	REAL250004643882	1	30	-1.0	-34.03	275.17	5.05	-28.98
CCC(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643883	0	29	-1.0	-33.00	270.64	4.49	-28.51
CCC(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643883	1	29	-1.0	-32.98	270.69	4.50	-28.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=CN1	REAL250004643884	0	27	-1.0	-42.21	261.31	2.73	-39.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=CN1	REAL250004643884	1	27	-1.0	-42.15	261.36	2.74	-39.41
C=C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)C	REAL250004643885	0	33	-1.0	-36.12	280.44	6.07	-30.05
C=C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)C	REAL250004643885	1	33	-1.0	-36.12	280.45	6.07	-30.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1F	REAL250004643886	0	27	-1.0	-33.26	259.13	4.54	-28.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1F	REAL250004643886	1	27	-1.0	-33.28	259.18	4.54	-28.74
O=C(C=CC1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643887	0	31	-1.0	-35.58	287.34	5.85	-29.73
O=C(C=CC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643887	1	31	-1.0	-35.58	287.38	5.85	-29.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C=CCC1	REAL250004643888	0	31	-1.0	-35.44	277.43	5.46	-29.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C=CCC1	REAL250004643888	1	31	-1.0	-35.40	277.48	5.46	-29.94
CCCC(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643889	0	33	-1.0	-33.39	295.90	3.06	-30.33
CCCC(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643889	1	33	-1.0	-33.41	295.95	3.06	-30.35
C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643890	0	30	-1.0	-35.05	274.72	5.13	-29.92
C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643890	1	30	-1.0	-35.01	274.77	5.13	-29.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1(O)CC1	REAL250004643891	0	28	-1.0	-34.75	261.66	1.39	-33.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1(O)CC1	REAL250004643891	1	28	-1.0	-34.72	261.70	1.40	-33.32
CN(C)C(=O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643892	0	30	-1.0	-39.67	275.69	2.51	-37.16
CN(C)C(=O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643892	1	30	-1.0	-39.67	275.74	2.51	-37.16
CCSCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643893	0	30	-1.0	-35.26	287.37	5.02	-30.24
CCSCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643893	1	30	-1.0	-35.29	287.41	5.02	-30.27
CO[C@H](C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643894	0	30	-1.0	-35.71	274.71	3.62	-32.09
CO[C@H](C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643894	1	30	-1.0	-35.68	274.76	3.62	-32.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CC1(F)F	REAL250004643895	0	27	-1.0	-37.72	266.34	4.62	-33.10
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CC1(F)F	REAL250004643895	1	27	-1.0	-37.68	266.39	4.63	-33.05
C[C@H]1C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)[C@H]1C	REAL250004643896	0	33	-1.0	-34.99	283.46	5.63	-29.36
C[C@H]1C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)[C@H]1C	REAL250004643896	1	33	-1.0	-34.94	283.52	5.63	-29.31
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CC1(F)F	REAL250004643897	0	27	-1.0	-34.53	263.82	4.64	-29.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC1(F)F	REAL250004643897	1	27	-1.0	-34.48	263.86	4.64	-29.84
[N-]=[N+]=NCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643898	0	25	-1.0	-33.50	251.95	-0.34	-33.84
[N-]=[N+]=NCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643898	1	25	-1.0	-33.47	251.99	-0.34	-33.81
[N-]=[N+]=NCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643899	0	28	-1.0	-33.10	272.97	0.31	-32.79
[N-]=[N+]=NCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643899	1	28	-1.0	-33.07	273.02	0.32	-32.75
C#CCOCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643900	0	29	-1.0	-38.16	283.20	4.47	-33.69
C#CCOCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643900	1	29	-1.0	-38.15	283.24	4.47	-33.68
C#C[C@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643901	0	29	-1.0	-36.81	276.21	5.63	-31.18
C#C[C@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643901	1	29	-1.0	-36.80	276.25	5.64	-31.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CC(=O)N1	REAL250004643902	0	28	-1.0	-36.77	266.29	0.02	-36.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CC(=O)N1	REAL250004643902	1	28	-1.0	-36.70	266.34	0.02	-36.68
CC1=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N(C)N=C1	REAL250004643903	0	35	-1.0	-54.27	303.16	5.31	-48.96
CC1=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N(C)N=C1	REAL250004643903	1	35	-1.0	-53.93	303.76	5.29	-48.64
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C)N=C1	REAL250004643904	0	32	-1.0	-35.97	281.94	2.30	-33.67
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N(C)N=C1	REAL250004643904	1	32	-1.0	-35.99	281.88	2.29	-33.70
CN1C=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)C=N1	REAL250004643905	0	39	-1.0	-53.02	324.55	4.72	-48.30
CN1C=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)C=N1	REAL250004643905	1	39	-1.0	-53.00	324.49	4.70	-48.30
CN(CCC1=CNC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004643906	0	35	-1.0	-53.95	298.05	3.89	-50.06
CN(CCC1=CNC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004643906	1	35	-1.0	-51.05	298.05	3.92	-47.13
CN(CCC1=CN=CN1)C(=O)CCCC1=N[N-]N=N1	REAL250004643906	1	35	-1.0	-53.95	298.05	3.89	-50.06
CN(CCC1=CNC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004643907	0	35	-1.0	-39.97	305.68	4.30	-35.67
CN(CCC1=CNC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004643907	1	35	-1.0	-39.93	305.74	4.32	-35.61
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=NNN=C2C=C1	REAL250004643908	0	34	-1.0	-53.89	289.69	1.80	-52.09
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=NNN=C2C=C1	REAL250004643908	1	34	-1.0	-53.89	289.75	1.81	-52.08
NC1=CNN=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004643909	0	38	-1.0	-51.64	317.01	0.72	-50.92
NC1=CNN=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004643909	1	38	-1.0	-51.70	317.06	0.74	-50.96
O=C(CCCC1=NN=N[N-]1)NCCN1C=C2C=CC=CC2=N1	REAL250004643910	0	38	-1.0	-58.36	328.45	3.71	-54.65
O=C(CCCC1=N[N-]N=N1)NCCN1C=C2C=CC=CC2=N1	REAL250004643910	1	38	-1.0	-58.34	328.39	3.70	-54.64
CC1OCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004643911	0	36	-1.0	-53.91	285.13	4.06	-49.85
CC1OCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004643911	1	36	-1.0	-53.58	285.14	4.07	-49.51
CC1OCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004643912	0	33	-1.0	-35.02	270.53	1.83	-33.19
CC1OCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004643912	1	33	-1.0	-34.99	270.60	1.83	-33.16
O=C(CCCC1=N[N-]N=N1)N1CCCC1(CO)CO	REAL250004643913	0	37	-1.0	-49.50	295.82	-0.93	-50.43
O=C(CCCC1=NN=N[N-]1)N1CCCC1(CO)CO	REAL250004643913	1	37	-1.0	-49.49	295.87	-0.91	-50.40
CC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004643914	0	34	-1.0	-55.76	285.49	3.34	-52.42
CC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004643914	1	34	-1.0	-55.76	285.55	3.36	-52.40
CC(=O)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004643915	0	34	-1.0	-40.50	293.06	3.59	-36.91
CC(=O)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004643915	1	34	-1.0	-40.48	293.13	3.59	-36.89
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CC=C2C=C1	REAL250004643916	0	37	-1.0	-50.08	320.40	3.77	-46.31
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CC=C2C=C1	REAL250004643916	1	37	-1.0	-50.10	320.45	3.78	-46.32
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC2=CNN=C21	REAL250004643917	0	39	-1.0	-50.21	315.87	3.32	-46.89
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC2=CNN=C21	REAL250004643917	1	39	-1.0	-50.28	315.92	3.33	-46.95
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=C2NC=CC=C12	REAL250004643918	0	38	-1.0	-60.57	326.90	3.55	-57.02
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=C2NC=CC=C12	REAL250004643918	1	38	-1.0	-60.60	326.96	3.56	-57.04
CC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL250004643919	0	23	-1.0	-34.73	227.09	3.00	-31.73
CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL250004643919	1	23	-1.0	-34.68	227.14	3.00	-31.68
CCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL250004643920	0	26	-1.0	-34.40	246.38	3.78	-30.62
CCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL250004643920	1	26	-1.0	-34.39	247.43	3.80	-30.59
O=C(CO)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL250004643921	0	24	-1.0	-37.36	237.87	0.79	-36.57
O=C(CO)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL250004643921	1	24	-1.0	-37.37	237.92	0.80	-36.57
O=C(CCCC1=N[N-]N=N1)N1CCOC12CCOCC2	REAL250004643922	0	38	-1.0	-45.79	289.22	1.34	-44.45
O=C(CCCC1=NN=N[N-]1)N1CCOC12CCOCC2	REAL250004643922	1	38	-1.0	-45.79	289.28	1.35	-44.44
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCOC1	REAL250004643923	0	37	-1.0	-51.25	295.90	2.75	-48.50
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCOC1	REAL250004643923	1	37	-1.0	-51.26	295.96	2.76	-48.50
CCN1C=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004643924	0	35	-1.0	-53.85	300.46	7.40	-46.45
CCN1C=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004643924	1	35	-1.0	-53.66	300.56	7.40	-46.26
CCN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004643925	0	32	-1.0	-39.76	286.79	4.29	-35.47
CCN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004643925	1	32	-1.0	-39.79	286.73	4.28	-35.51
COC1=NSC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004643926	0	29	-1.0	-47.68	270.60	-0.74	-48.42
COC1=NSC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004643926	1	29	-1.0	-47.69	270.54	-0.75	-48.44
O=C(C1=CC=C2CCCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643927	1	39	-1.0	-42.37	307.22	5.93	-36.44
O=C(CCC1=CC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643928	1	35	-1.0	-40.42	299.77	5.01	-35.41
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004643929	1	31	-1.0	-41.47	261.34	2.79	-38.68
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1	REAL250004643930	1	39	-1.0	-40.79	312.38	5.96	-34.83
O=C(C1=CC=CC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643931	1	32	-1.0	-42.74	269.31	4.13	-38.61
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004643932	1	35	-1.0	-41.79	285.19	4.76	-37.03
O=C(C1=CC=C([N+](=O)[O-])O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643933	1	31	-1.0	-40.53	274.99	2.96	-37.57
O=C(C1=CC=CC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643934	1	32	-1.0	-43.85	278.45	4.57	-39.28
O=C(C1=CC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643935	1	31	-1.0	-43.30	258.16	3.15	-40.15
CC1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004643936	1	36	-1.0	-42.39	301.51	4.61	-37.78
O=C(C1CC2C=CC1C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643937	1	37	-1.0	-40.17	283.54	4.68	-35.49
CC1=CC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643938	1	38	-1.0	-42.18	304.94	5.60	-36.58
O=C(C1=COCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643939	1	32	-1.0	-42.46	266.17	1.20	-41.26
O=C(C1=CNC(=O)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643940	1	32	-1.0	-45.70	272.54	1.16	-44.54
O=C(CN1C=CC=CC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643941	1	35	-1.0	-49.33	292.36	3.68	-45.65
CC1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004643942	1	39	-1.0	-41.72	318.37	6.28	-35.44
O=C(C1=CC=CN=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643943	1	31	-1.0	-45.84	274.94	2.78	-43.06
O=C(C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643944	1	32	-1.0	-41.70	263.79	4.09	-37.61
O=C(CC1=CC=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643945	1	35	-1.0	-44.98	293.63	5.16	-39.82
O=C(CCC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643946	1	38	-1.0	-41.01	309.53	5.91	-35.10
O=C(C1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643947	1	38	-1.0	-40.46	289.38	4.55	-35.91
CC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643948	1	35	-1.0	-50.09	288.63	0.45	-49.64
CC(C)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643949	1	37	-1.0	-40.72	288.69	4.18	-36.54
CC(=O)NC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004643950	1	41	-1.0	-41.04	311.58	1.49	-39.55
O=C(C1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643951	1	33	-1.0	-44.07	261.15	2.52	-41.55
O=C(CN1C(=O)CNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643952	1	34	-1.0	-50.71	288.51	-0.42	-51.13
O=C(C1=CC=C(CO)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643953	1	36	-1.0	-43.83	295.83	1.40	-42.43
CC1=CC=CC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643954	1	39	-1.0	-42.07	314.54	6.12	-35.95
CC1=CC=CC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004643955	1	39	-1.0	-42.06	318.38	6.26	-35.80
O=C(CN1C(=O)CCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643956	1	35	-1.0	-49.72	293.85	2.11	-47.61
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N1C	REAL250004643957	1	39	-1.0	-44.21	308.77	4.75	-39.46
CC1=NC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004643958	1	34	-1.0	-45.09	293.61	2.98	-42.11
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CC(C)(C)SCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643960	1	38	-1.0	-42.08	307.52	4.59	-37.49
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CC(=O)NC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643969	1	35	-1.0	-42.52	284.84	0.39	-42.13
CC(NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643970	0	34	-1.0	-41.99	278.06	-2.38	-44.37
CC(NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643970	1	34	-1.0	-41.95	278.23	-2.39	-44.34
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CC(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643974	0	33	-1.0	-41.77	272.66	2.80	-38.97
CC(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643974	1	33	-1.0	-41.72	272.83	2.80	-38.92
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CC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004643976	1	33	-1.0	-42.33	274.26	1.89	-40.44
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CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004643979	0	35	-1.0	-41.87	284.26	4.75	-37.12
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COC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643981	0	36	-1.0	-45.67	292.51	3.76	-41.91
COC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643981	1	36	-1.0	-45.65	292.68	3.76	-41.89
CC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643982	0	32	-1.0	-42.32	266.33	-0.24	-42.56
CC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643982	1	32	-1.0	-42.28	266.50	-0.24	-42.52
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL250004643983	0	32	-1.0	-40.37	272.01	3.73	-36.64
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC=C1	REAL250004643983	1	32	-1.0	-40.38	272.18	3.73	-36.65
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004643984	0	32	-1.0	-40.58	274.18	3.82	-36.76
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004643984	1	32	-1.0	-40.55	274.34	3.81	-36.74
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COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004643987	0	36	-1.0	-41.60	293.07	3.41	-38.19
COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004643987	1	36	-1.0	-41.58	293.23	3.40	-38.18
O=C(C1=CC=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643988	0	32	-1.0	-46.05	266.57	4.07	-41.98
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CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004643990	0	38	-1.0	-41.59	305.75	5.52	-36.07
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004643990	1	38	-1.0	-41.56	305.91	5.51	-36.05
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COC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004643992	0	36	-1.0	-44.34	292.21	3.36	-40.98
COC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004643992	1	36	-1.0	-44.32	292.38	3.36	-40.96
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CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=C1	REAL250004643994	0	38	-1.0	-41.53	303.49	5.37	-36.16
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=C1	REAL250004643994	1	38	-1.0	-41.47	303.65	5.36	-36.11
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N#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004643996	0	33	-1.0	-42.25	284.47	4.50	-37.75
N#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004643996	1	33	-1.0	-42.23	284.64	4.49	-37.74
O=C(C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643997	0	35	-1.0	-40.82	270.40	3.95	-36.87
O=C(C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643997	1	35	-1.0	-40.78	270.57	3.94	-36.84
CC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643998	0	35	-1.0	-41.58	281.38	4.73	-36.85
CC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004643998	1	35	-1.0	-41.49	281.54	4.72	-36.77
CC1=CC=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004643999	0	38	-1.0	-41.39	303.46	5.36	-36.03
CC1=CC=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004643999	1	38	-1.0	-41.37	303.63	5.35	-36.02
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004644000	0	38	-1.0	-41.47	306.40	5.41	-36.06
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004644000	1	38	-1.0	-41.42	306.57	5.41	-36.01
O=C(CCC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644001	0	41	-1.0	-40.70	314.61	5.55	-35.15
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CC1=NOC(C)=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644008	0	37	-1.0	-44.93	305.46	3.92	-41.01
CC1=NOC(C)=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644008	1	37	-1.0	-44.90	305.62	3.91	-40.99
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O=C(CCC1=CSC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644011	1	35	-1.0	-40.65	299.52	4.84	-35.81
O=C(CC1C=CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644012	0	36	-1.0	-41.22	283.81	4.67	-36.55
O=C(CC1C=CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644012	1	36	-1.0	-41.14	283.98	4.67	-36.47
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)S1	REAL250004644013	0	35	-1.0	-40.68	295.90	4.60	-36.08
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)S1	REAL250004644013	1	35	-1.0	-40.65	296.07	4.59	-36.06
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CO1	REAL250004644014	0	32	-1.0	-41.73	265.09	2.96	-38.77
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CO1	REAL250004644014	1	32	-1.0	-41.71	265.25	2.96	-38.75
NC(=O)NCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644015	0	40	-1.0	-50.29	324.69	-0.77	-51.06
NC(=O)NCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644015	1	40	-1.0	-50.29	324.85	-0.77	-51.06
O=C(C1=CSC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644016	0	29	-1.0	-41.25	253.49	3.03	-38.22
O=C(C1=CSC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644016	1	29	-1.0	-41.18	253.66	3.03	-38.15
O=C(C1=CC(F)=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644017	0	32	-1.0	-42.48	275.98	4.22	-38.26
O=C(C1=CC(F)=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644017	1	32	-1.0	-42.40	276.15	4.21	-38.19
O=C(CCC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644018	0	37	-1.0	-42.14	304.24	4.14	-38.00
O=C(CCC1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644018	1	37	-1.0	-42.14	304.41	4.14	-38.00
CC(C)(C)C(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644019	0	41	-1.0	-41.53	325.36	1.80	-39.73
CC(C)(C)C(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644019	1	41	-1.0	-41.49	325.52	1.80	-39.69
O=C(C1=CC2=CC=CC=C2N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644020	0	36	-1.0	-41.49	293.93	4.54	-36.95
O=C(C1=CC2=CC=CC=C2N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644020	1	36	-1.0	-41.54	294.09	4.53	-37.01
O=C(CN1CCCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644021	0	36	-1.0	-50.91	293.04	2.74	-48.17
O=C(CN1CCCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644021	1	36	-1.0	-50.90	293.21	2.74	-48.16
CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004644022	0	38	-1.0	-42.69	309.42	5.80	-36.89
CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004644022	1	38	-1.0	-42.65	309.59	5.80	-36.85
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SN=N1	REAL250004644023	0	33	-1.0	-38.39	284.36	2.03	-36.36
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SN=N1	REAL250004644023	1	33	-1.0	-38.35	284.52	2.02	-36.33
O=C(C1=CN2C=CC=CC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644024	0	35	-1.0	-46.65	290.86	5.46	-41.19
O=C(C1=CN2C=CC=CC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644024	1	35	-1.0	-46.62	291.03	5.46	-41.16
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1F	REAL250004644025	0	35	-1.0	-40.25	289.61	4.79	-35.46
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1F	REAL250004644025	1	35	-1.0	-40.24	289.77	4.78	-35.46
O=C(CN1CCSC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644026	0	34	-1.0	-52.70	291.89	2.43	-50.27
O=C(CN1CCSC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644026	1	34	-1.0	-52.67	292.06	2.42	-50.25
CC(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644027	0	36	-1.0	-49.49	294.16	3.58	-45.91
CC(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644027	1	36	-1.0	-49.46	294.33	3.59	-45.87
CC1=CC(OCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004644028	0	35	-1.0	-44.65	296.71	1.97	-42.68
CC1=CC(OCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004644028	1	35	-1.0	-44.59	296.88	1.97	-42.62
CC1=NNC(C)=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644029	0	38	-1.0	-44.96	308.36	2.66	-42.30
CC1=NNC(C)=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644029	1	38	-1.0	-44.89	308.53	2.65	-42.24
O=C(CN1C=NN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644030	0	30	-1.0	-55.09	256.75	1.60	-53.49
O=C(CN1C=NN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644030	1	30	-1.0	-55.12	256.92	1.60	-53.52
CC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644031	0	31	-1.0	-39.38	261.22	2.32	-37.06
CC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644031	1	31	-1.0	-39.41	261.38	2.31	-37.10
CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644032	0	35	-1.0	-40.35	295.69	4.61	-35.74
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644032	1	35	-1.0	-40.30	295.86	4.60	-35.70
CC1=NOC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644033	0	34	-1.0	-38.94	287.18	3.21	-35.73
CC1=NOC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644033	1	34	-1.0	-38.89	287.35	3.22	-35.67
CCC1=NOC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644034	0	37	-1.0	-38.81	308.72	3.97	-34.84
CCC1=NOC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644034	1	37	-1.0	-38.73	308.88	3.96	-34.77
CN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644035	0	32	-1.0	-43.16	266.11	1.83	-41.33
CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644035	1	32	-1.0	-43.07	266.28	1.83	-41.24
NC(=O)NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644036	0	34	-1.0	-50.73	281.69	-2.36	-53.09
NC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644036	1	34	-1.0	-50.68	281.86	-2.35	-53.03
O=C(CN1CSCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644037	0	34	-1.0	-49.11	292.29	2.44	-46.67
O=C(CN1CSCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644037	1	34	-1.0	-49.09	292.46	2.44	-46.65
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SN=N1	REAL250004644038	0	30	-1.0	-38.54	262.44	1.32	-37.22
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SN=N1	REAL250004644038	1	30	-1.0	-38.52	262.60	1.33	-37.19
CN1C=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644039	0	36	-1.0	-45.70	300.43	3.45	-42.25
CN1C=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644039	1	36	-1.0	-45.72	300.60	3.45	-42.27
O=C(C1=CC=NC(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644040	0	31	-1.0	-39.87	273.30	2.69	-37.18
O=C(C1=CC=NC(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644040	1	31	-1.0	-39.85	273.47	2.68	-37.17
COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644041	0	35	-1.0	-40.71	288.68	0.66	-40.05
COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644041	1	35	-1.0	-40.66	288.84	0.66	-40.00
O=C(C1=CC2=NNN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644042	0	34	-1.0	-43.87	282.96	1.33	-42.54
O=C(C1=CC2=NNN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644042	1	34	-1.0	-43.83	283.13	1.32	-42.51
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1C	REAL250004644043	0	36	-1.0	-42.36	283.97	3.99	-38.37
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1C	REAL250004644043	1	36	-1.0	-42.35	284.14	3.98	-38.37
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=C1	REAL250004644044	0	32	-1.0	-41.60	262.87	3.14	-38.46
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=C1	REAL250004644044	1	32	-1.0	-41.54	263.03	3.13	-38.41
CN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004644045	0	36	-1.0	-40.24	296.35	1.58	-38.66
CN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004644045	1	36	-1.0	-40.20	296.52	1.58	-38.62
O=C(C1CC=CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644046	0	36	-1.0	-40.17	281.07	4.46	-35.71
O=C(C1CC=CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644046	1	36	-1.0	-40.13	281.24	4.46	-35.67
O=C(CCC1=CC=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644047	0	35	-1.0	-42.08	290.16	4.05	-38.03
O=C(CCC1=CC=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644047	1	35	-1.0	-42.07	290.33	4.04	-38.03
O=C(C1=CC(Cl)=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644048	0	30	-1.0	-42.24	264.29	2.94	-39.30
O=C(C1=CC(Cl)=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644048	1	30	-1.0	-42.16	264.46	2.93	-39.23
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644049	0	32	-1.0	-45.90	277.40	3.16	-42.74
O=C(C1=CC([N+](=O)[O-])=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644049	1	32	-1.0	-45.89	277.57	3.15	-42.74
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004644050	0	36	-1.0	-42.66	283.72	3.61	-39.05
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004644050	1	36	-1.0	-42.64	283.89	3.60	-39.04
CC1=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004644051	0	38	-1.0	-41.87	313.04	4.57	-37.30
CC1=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004644051	1	38	-1.0	-41.84	313.20	4.57	-37.27
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL250004644052	0	38	-1.0	-41.35	299.10	5.30	-36.05
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL250004644052	1	38	-1.0	-41.29	299.27	5.29	-36.00
O=C(C1=CN=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644053	0	30	-1.0	-42.96	252.43	1.32	-41.64
O=C(C1=CN=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644053	1	30	-1.0	-42.93	252.60	1.32	-41.61
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL250004644054	0	38	-1.0	-42.28	301.19	5.27	-37.01
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL250004644054	1	38	-1.0	-42.25	301.36	5.27	-36.98
O=C(CC1CC2CCC1C2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644055	0	42	-1.0	-41.04	312.93	5.69	-35.35
O=C(CC1CC2CCC1C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644055	1	42	-1.0	-41.00	313.10	5.70	-35.30
COCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644056	0	36	-1.0	-41.89	299.94	2.21	-39.68
COCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644056	1	36	-1.0	-41.85	300.11	2.22	-39.63
CN1C=C(Cl)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644057	0	33	-1.0	-40.78	283.96	4.03	-36.75
CN1C=C(Cl)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644057	1	33	-1.0	-40.74	284.12	4.02	-36.72
O=C(CN1C=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644058	0	32	-1.0	-47.38	268.20	2.50	-44.88
O=C(CN1C=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644058	1	32	-1.0	-47.27	268.37	2.50	-44.77
O=C(C1=CC(F)=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644059	0	32	-1.0	-39.11	275.70	4.21	-34.90
O=C(C1=CC(F)=CC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644059	1	32	-1.0	-39.10	275.86	4.20	-34.90
CC(=O)C1=CNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644060	0	35	-1.0	-51.72	290.23	2.85	-48.87
CC(=O)C1=CNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644060	1	35	-1.0	-51.70	290.40	2.84	-48.86
O=C(CC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644061	0	38	-1.0	-40.86	291.46	4.78	-36.08
O=C(CC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644061	1	38	-1.0	-40.84	291.63	4.77	-36.07
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004644062	0	35	-1.0	-41.25	287.54	3.81	-37.44
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004644062	1	35	-1.0	-41.19	287.71	3.80	-37.39
CC1=NN(C)C(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644063	0	38	-1.0	-44.00	311.32	3.10	-40.90
CC1=NN(C)C(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644063	1	38	-1.0	-43.93	311.49	3.10	-40.83
CC1=CC=C(F)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644064	0	35	-1.0	-40.25	288.47	4.76	-35.49
CC1=CC=C(F)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644064	1	35	-1.0	-40.26	288.63	4.75	-35.51
CCOC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644065	0	36	-1.0	-41.72	299.32	0.09	-41.63
CCOC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644065	1	36	-1.0	-41.66	299.48	0.09	-41.57
CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644066	0	35	-1.0	-40.41	287.77	3.94	-36.47
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644066	1	35	-1.0	-40.36	287.93	3.94	-36.42
O=C(C1=CC=C(Cl)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644067	0	29	-1.0	-38.51	261.79	3.08	-35.43
O=C(C1=CC=C(Cl)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644067	1	29	-1.0	-38.46	261.95	3.08	-35.38
CCOC(=O)NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644068	0	39	-1.0	-47.47	321.50	0.79	-46.68
CCOC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644068	1	39	-1.0	-47.43	321.66	0.78	-46.65
O=C(C1CC2CCC1C2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644069	0	39	-1.0	-41.21	289.54	4.81	-36.40
O=C(C1CC2CCC1C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644069	1	39	-1.0	-41.16	289.70	4.81	-36.35
CCCC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644070	0	38	-1.0	-39.91	306.80	3.04	-36.87
CCCC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644070	1	38	-1.0	-39.87	306.97	3.03	-36.84
O=C(CC1=CC=NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644071	0	34	-1.0	-43.93	282.89	3.36	-40.57
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CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644072	0	34	-1.0	-41.39	278.18	2.78	-38.61
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644072	1	34	-1.0	-41.41	278.35	2.78	-38.63
CN1C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644073	0	33	-1.0	-42.17	265.08	3.50	-38.67
CN1C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644073	1	33	-1.0	-42.17	265.25	3.50	-38.67
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CC1=NOC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644075	0	36	-1.0	-42.54	300.99	1.53	-41.01
CC1=NOC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644075	1	36	-1.0	-42.52	301.16	1.52	-41.00
CC1=C(C)SC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644076	0	35	-1.0	-40.60	294.78	4.48	-36.12
CC1=C(C)SC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644076	1	35	-1.0	-40.56	294.94	4.49	-36.07
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CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004644078	0	35	-1.0	-43.28	284.43	2.30	-40.98
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004644078	1	35	-1.0	-43.23	284.59	2.29	-40.94
CCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644079	0	37	-1.0	-40.93	292.46	4.45	-36.48
CCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644079	1	37	-1.0	-40.91	292.62	4.45	-36.46
CC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644080	0	37	-1.0	-39.84	281.20	4.03	-35.81
CC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644080	1	37	-1.0	-39.83	281.36	4.02	-35.81
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COC1=NC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644085	0	35	-1.0	-46.42	290.13	1.17	-45.25
COC1=NC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644085	1	35	-1.0	-46.37	290.30	1.16	-45.21
CCCCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644086	0	38	-1.0	-42.32	315.49	5.06	-37.26
CCCCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644086	1	38	-1.0	-42.25	315.65	5.06	-37.19
CCCCCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644087	0	46	-1.0	-40.87	356.95	6.79	-34.08
CCCCCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644087	1	46	-1.0	-40.78	357.12	6.80	-33.98
CCCCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644088	0	43	-1.0	-40.86	335.45	6.01	-34.85
CCCCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644088	1	43	-1.0	-40.83	335.62	6.01	-34.82
CCCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644089	0	40	-1.0	-40.97	313.96	5.23	-35.74
CCCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644089	1	40	-1.0	-40.94	314.12	5.23	-35.71
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O=C(C1=CC=CNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644092	1	32	-1.0	-51.34	264.50	1.05	-50.29
CC(C)SCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644093	0	35	-1.0	-42.32	290.80	4.12	-38.20
CC(C)SCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644093	1	35	-1.0	-42.31	290.96	4.12	-38.19
O=C(C1=C2N=CC=CN2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644094	0	34	-1.0	-52.68	286.40	2.99	-49.69
O=C(C1=C2N=CC=CN2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644094	1	34	-1.0	-52.64	286.57	2.98	-49.66
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644095	0	34	-1.0	-43.34	279.22	3.76	-39.58
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644095	1	34	-1.0	-43.33	279.38	3.77	-39.56
O=C(C1=C2C=NNC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644096	0	35	-1.0	-45.09	290.24	2.71	-42.38
O=C(C1=C2C=NNC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644096	1	35	-1.0	-45.02	290.41	2.70	-42.32
O=C(C1=CC=CC=C1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644097	0	33	-1.0	-43.95	274.18	1.59	-42.36
O=C(C1=CC=CC=C1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644097	1	33	-1.0	-43.93	274.35	1.59	-42.34
O=C(C1=CC2=CNN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644098	0	35	-1.0	-47.68	290.04	2.80	-44.88
O=C(C1=CC2=CNN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644098	1	35	-1.0	-47.64	290.21	2.79	-44.85
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1O	REAL250004644099	0	36	-1.0	-43.74	294.14	2.36	-41.38
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1O	REAL250004644099	1	36	-1.0	-43.70	294.31	2.36	-41.34
O=C(C1=CC(C2CC2)=NN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644100	0	36	-1.0	-40.14	293.73	3.01	-37.13
O=C(C1=CC(C2CC2)=NN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644100	1	36	-1.0	-40.14	293.89	3.01	-37.13
CC1=CC=C(O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644101	0	36	-1.0	-43.42	295.61	2.24	-41.18
CC1=CC=C(O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644101	1	36	-1.0	-43.34	295.77	2.23	-41.11
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1O	REAL250004644102	0	36	-1.0	-43.63	293.95	1.97	-41.66
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1O	REAL250004644102	1	36	-1.0	-43.56	294.11	1.96	-41.60
CN1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL250004644103	0	39	-1.0	-43.83	306.01	2.58	-41.25
CN1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1=O	REAL250004644103	1	39	-1.0	-43.81	306.18	2.58	-41.23
CN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004644104	0	35	-1.0	-46.37	293.06	3.08	-43.29
CN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004644104	1	35	-1.0	-46.32	293.23	3.07	-43.25
CCN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL250004644105	0	39	-1.0	-43.53	309.23	2.82	-40.71
CCN1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1=O	REAL250004644105	1	39	-1.0	-43.53	309.40	2.83	-40.70
N#CCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644106	0	30	-1.0	-49.21	271.84	3.22	-45.99
N#CCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644106	1	30	-1.0	-49.16	272.01	3.22	-45.94
CS(=O)(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644107	0	34	-1.0	-48.43	291.59	-0.33	-48.76
CS(=O)(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644107	1	34	-1.0	-48.36	291.76	-0.33	-48.69
CN1N=CC=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644108	0	36	-1.0	-43.69	299.38	3.23	-40.46
CN1N=CC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644108	1	36	-1.0	-43.63	299.54	3.23	-40.40
CNC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644109	0	37	-1.0	-41.17	295.74	3.08	-38.09
CNC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644109	1	37	-1.0	-41.09	295.91	3.08	-38.01
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004644110	0	35	-1.0	-46.26	285.50	2.76	-43.50
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004644110	1	35	-1.0	-46.22	285.66	2.75	-43.47
CCC1=NNC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644111	0	35	-1.0	-44.10	285.82	1.89	-42.21
CCC1=NNC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644111	1	35	-1.0	-44.04	285.98	1.88	-42.16
O=C(CN1C=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644112	0	31	-1.0	-49.22	262.99	3.93	-45.29
O=C(CN1C=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644112	1	31	-1.0	-49.22	263.16	3.93	-45.29
O=C(CSC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644113	0	29	-1.0	-40.45	270.76	3.19	-37.26
O=C(CSC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644113	1	29	-1.0	-40.39	270.92	3.19	-37.20
CC(C)OCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644114	0	38	-1.0	-40.33	303.76	2.91	-37.42
CC(C)OCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644114	1	38	-1.0	-40.28	303.93	2.91	-37.37
O=C(CN1C=CC=NC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644115	0	34	-1.0	-54.71	287.13	1.53	-53.18
O=C(CN1C=CC=NC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644115	1	34	-1.0	-54.64	287.29	1.52	-53.12
CCC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644116	0	35	-1.0	-40.21	285.27	2.27	-37.94
CCC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644116	1	35	-1.0	-40.22	285.43	2.26	-37.96
O=C(C1COCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644117	0	34	-1.0	-42.57	268.29	1.26	-41.31
O=C(C1COCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644117	1	34	-1.0	-42.53	268.45	1.27	-41.26
CCCCCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644118	0	44	-1.0	-43.23	348.53	5.61	-37.62
CCCCCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644118	1	44	-1.0	-43.20	348.70	5.62	-37.58
COC(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644119	0	31	-1.0	-47.97	259.90	3.08	-44.89
COC(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644119	1	31	-1.0	-47.91	260.07	3.08	-44.83
O=C(CCC1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644120	0	39	-1.0	-41.02	306.11	3.21	-37.81
O=C(CCC1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644120	1	39	-1.0	-40.99	306.28	3.20	-37.79
COCCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644121	0	36	-1.0	-42.53	306.16	2.55	-39.98
COCCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644121	1	36	-1.0	-42.51	306.33	2.55	-39.96
O=C(CN1CCCCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644122	0	39	-1.0	-49.67	308.50	3.38	-46.29
O=C(CN1CCCCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644122	1	39	-1.0	-49.67	308.66	3.37	-46.30
O=C(CN1CCCNC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644123	0	38	-1.0	-52.38	303.26	1.27	-51.11
O=C(CN1CCCNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644123	1	38	-1.0	-52.36	303.42	1.26	-51.10
CC(=O)N(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644124	0	35	-1.0	-46.83	285.55	2.13	-44.70
CC(=O)N(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644124	1	35	-1.0	-46.82	285.72	2.13	-44.69
CCC(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644125	0	37	-1.0	-40.67	285.28	3.91	-36.76
CCC(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644125	1	37	-1.0	-40.64	285.44	3.92	-36.72
CN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL250004644126	0	36	-1.0	-45.31	289.31	1.90	-43.41
CN1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1=O	REAL250004644126	1	36	-1.0	-45.27	289.47	1.90	-43.37
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1C#N	REAL250004644127	0	35	-1.0	-41.53	297.80	4.00	-37.53
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1C#N	REAL250004644127	1	35	-1.0	-41.47	297.97	4.00	-37.47
CC1=NNC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644128	0	32	-1.0	-44.11	264.19	1.14	-42.97
CC1=NNC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644128	1	32	-1.0	-44.10	264.36	1.14	-42.96
O=C(C1=CSN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644129	0	27	-1.0	-41.91	242.04	1.01	-40.90
O=C(C1=CSN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644129	1	27	-1.0	-41.86	242.21	1.01	-40.85
COC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004644130	0	35	-1.0	-40.70	289.82	0.80	-39.90
COC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004644130	1	35	-1.0	-40.66	289.98	0.79	-39.87
CCCCC(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644131	0	43	-1.0	-40.78	321.92	5.26	-35.52
CCCCC(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644131	1	43	-1.0	-40.76	322.09	5.26	-35.50
COC(=O)N(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644132	0	36	-1.0	-46.28	298.21	2.05	-44.23
COC(=O)N(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644132	1	36	-1.0	-46.23	298.37	2.05	-44.18
CCC(=O)NC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644133	0	38	-1.0	-42.21	304.98	1.21	-41.00
CCC(=O)NC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644133	1	38	-1.0	-42.16	305.14	1.20	-40.96
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O=C(C1=CC=CC=[N+]1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL250004644134	1	32	-1.0	-67.51	267.68	3.81	-63.70
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=N1	REAL250004644135	0	31	-1.0	-40.90	267.01	1.85	-39.05
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC=N1	REAL250004644135	1	31	-1.0	-40.84	267.17	1.85	-38.99
O=C(C1=C2C=CNC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644136	0	36	-1.0	-47.19	295.16	4.12	-43.07
O=C(C1=C2C=CNC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644136	1	36	-1.0	-47.16	295.32	4.11	-43.05
CCOCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644137	0	38	-1.0	-43.39	305.03	2.95	-40.44
CCOCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644137	1	38	-1.0	-43.35	305.20	2.94	-40.41
O=C(COCC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644138	0	36	-1.0	-43.88	294.25	4.06	-39.82
O=C(COCC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644138	1	36	-1.0	-43.87	294.41	4.06	-39.81
O=C(CC1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644139	0	36	-1.0	-45.08	284.10	3.14	-41.94
O=C(CC1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644139	1	36	-1.0	-45.08	284.26	3.14	-41.94
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL250004644140	0	34	-1.0	-54.95	283.52	-0.20	-55.15
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL250004644140	1	34	-1.0	-54.95	283.68	-0.20	-55.15
CC1=CNC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644141	0	33	-1.0	-45.83	270.14	2.66	-43.17
CC1=CNC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644141	1	33	-1.0	-45.78	270.30	2.67	-43.11
CSC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644142	0	32	-1.0	-41.82	266.34	3.00	-38.82
CSC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644142	1	32	-1.0	-41.76	266.51	2.99	-38.77
CCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644143	0	35	-1.0	-43.07	279.08	2.94	-40.13
CCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644143	1	35	-1.0	-43.07	279.25	2.94	-40.13
O=C(C1=CC=C2C=CNC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644144	0	36	-1.0	-43.84	295.02	4.12	-39.72
O=C(C1=CC=C2C=CNC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644144	1	36	-1.0	-43.86	295.19	4.12	-39.74
NC(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004644145	0	34	-1.0	-53.25	285.26	-1.36	-54.61
NC(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004644145	1	34	-1.0	-53.22	285.42	-1.36	-54.58
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004644146	0	38	-1.0	-42.75	307.35	3.08	-39.67
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004644146	1	38	-1.0	-42.70	307.52	3.09	-39.61
CC(C)C1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644147	0	38	-1.0	-39.83	304.13	2.79	-37.04
CC(C)C1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644147	1	38	-1.0	-39.82	304.30	2.78	-37.04
O=C(CCC1=CC=NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644148	0	37	-1.0	-42.32	304.29	4.17	-38.15
O=C(CCC1=CC=NC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644148	1	37	-1.0	-42.27	304.46	4.16	-38.11
CN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CC1=O	REAL250004644149	0	35	-1.0	-44.10	286.35	2.82	-41.28
CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CC1=O	REAL250004644149	1	35	-1.0	-44.06	286.51	2.81	-41.25
O=C(C1=CC(=O)N[N-]1)N1CCN(C2=NNN=N2)CC1	REAL250004644150	1	30	-1.0	-39.35	254.66	-0.99	-40.34
N#CCC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644151	0	36	-1.0	-48.76	305.11	5.24	-43.52
N#CCC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644151	1	36	-1.0	-48.77	305.27	5.23	-43.54
O=C(C1CCC(=O)NC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644152	0	36	-1.0	-43.44	286.16	0.55	-42.89
O=C(C1CCC(=O)NC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644152	1	36	-1.0	-43.39	286.33	0.55	-42.84
COCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644153	0	35	-1.0	-43.35	283.18	1.98	-41.37
COCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644153	1	35	-1.0	-43.35	283.34	1.97	-41.38
O=C(C1=NNC2=C1CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644154	0	36	-1.0	-44.62	288.53	3.00	-41.62
O=C(C1=NNC2=C1CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644154	1	36	-1.0	-44.57	288.70	2.99	-41.58
CC(F)(F)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644155	0	34	-1.0	-40.29	282.12	3.82	-36.47
CC(F)(F)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644155	1	34	-1.0	-40.24	282.29	3.81	-36.43
O=C(COC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644156	0	39	-1.0	-43.39	307.60	4.52	-38.87
O=C(COC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644156	1	39	-1.0	-43.33	307.77	4.51	-38.82
O=C(COC1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644157	0	42	-1.0	-43.40	324.48	5.16	-38.24
O=C(COC1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644157	1	42	-1.0	-43.33	324.65	5.15	-38.18
CC1=NC=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644158	0	33	-1.0	-39.92	272.44	2.71	-37.21
CC1=NC=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644158	1	33	-1.0	-39.90	272.61	2.70	-37.20
CCC1=NC=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644159	0	36	-1.0	-39.83	293.96	3.44	-36.39
CCC1=NC=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644159	1	36	-1.0	-39.80	294.13	3.43	-36.37
C=CCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644160	0	33	-1.0	-42.74	285.30	4.04	-38.70
C=CCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644160	1	33	-1.0	-42.66	285.47	4.04	-38.62
CCOC1CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644161	0	36	-1.0	-44.48	290.82	4.11	-40.37
CCOC1CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644161	1	36	-1.0	-44.41	290.98	4.10	-40.31
CC1=NC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644162	0	33	-1.0	-41.09	274.49	2.91	-38.18
CC1=NC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644162	1	33	-1.0	-40.98	274.66	2.91	-38.07
O=C(C1=C(Cl)N=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644163	0	28	-1.0	-43.20	264.32	1.68	-41.52
O=C(C1=C(Cl)N=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644163	1	28	-1.0	-43.21	264.49	1.68	-41.53
CCSCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644164	0	35	-1.0	-40.08	294.16	4.25	-35.83
CCSCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644164	1	35	-1.0	-40.04	294.33	4.25	-35.79
COC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644165	0	33	-1.0	-41.86	277.45	-0.84	-42.70
COC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644165	1	33	-1.0	-41.83	277.62	-0.84	-42.67
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644166	0	32	-1.0	-39.77	277.65	4.04	-35.73
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644166	1	32	-1.0	-39.72	277.81	4.04	-35.68
O=C(C1=NSN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644167	0	27	-1.0	-39.28	241.44	0.72	-38.56
O=C(C1=NSN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644167	1	27	-1.0	-39.25	241.61	0.71	-38.54
O=C(C1=CN=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644168	0	27	-1.0	-39.00	241.70	0.62	-38.38
O=C(C1=CN=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644168	1	27	-1.0	-38.97	241.86	0.62	-38.35
CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644169	0	37	-1.0	-45.37	304.46	3.94	-41.43
CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644169	1	37	-1.0	-45.29	304.62	3.95	-41.34
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)N1	REAL250004644170	0	35	-1.0	-49.40	285.77	1.62	-47.78
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(=O)N1	REAL250004644170	1	35	-1.0	-49.34	285.94	1.63	-47.71
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004644171	0	46	-1.0	-40.32	335.18	5.71	-34.61
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL250004644171	1	46	-1.0	-40.31	335.35	5.71	-34.60
CCCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644172	0	35	-1.0	-42.36	293.99	4.28	-38.08
CCCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644172	1	35	-1.0	-42.34	294.16	4.28	-38.06
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644173	0	36	-1.0	-40.18	284.43	4.84	-35.34
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644173	1	36	-1.0	-40.16	284.60	4.83	-35.33
O=C(C1=CN=C2NC=CC=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644174	0	35	-1.0	-53.00	294.80	3.64	-49.36
O=C(C1=CN=C2NC=CC=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644174	1	35	-1.0	-52.94	294.97	3.64	-49.30
O=C(C1=CN=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644175	0	28	-1.0	-41.08	248.19	1.24	-39.84
O=C(C1=CN=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644175	1	28	-1.0	-41.04	248.36	1.24	-39.80
O=C(C=C(C1CC1)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644176	0	40	-1.0	-40.18	312.13	6.14	-34.04
O=C(C=C(C1CC1)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644176	1	40	-1.0	-40.15	312.29	6.14	-34.01
CC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644177	0	32	-1.0	-40.16	263.86	1.52	-38.64
CC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644177	1	32	-1.0	-40.19	264.03	1.51	-38.68
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1	REAL250004644177	1	32	-1.0	-43.52	265.07	1.69	-41.83
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004644178	0	39	-1.0	-40.69	316.92	6.38	-34.31
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004644178	1	39	-1.0	-40.62	317.09	6.38	-34.24
CC1=CN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644179	0	35	-1.0	-48.95	290.05	3.15	-45.80
CC1=CN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644179	1	35	-1.0	-48.92	290.22	3.15	-45.77
O=C(C=C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644180	0	36	-1.0	-40.64	281.73	4.69	-35.95
O=C(C=C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644180	1	36	-1.0	-40.64	281.90	4.68	-35.96
CC1=NN(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644181	0	35	-1.0	-40.97	281.95	2.43	-38.54
CC1=NN(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644181	1	35	-1.0	-40.94	282.12	2.43	-38.51
CN1C=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644182	0	38	-1.0	-44.88	312.18	3.70	-41.18
CN1C=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644182	1	38	-1.0	-44.83	312.35	3.70	-41.13
CCC=C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644183	0	35	-1.0	-42.90	271.20	3.70	-39.20
CCC=C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644183	1	35	-1.0	-42.86	271.37	3.70	-39.16
CCCCSC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644184	0	41	-1.0	-41.47	330.81	5.47	-36.00
CCCCSC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644184	1	41	-1.0	-41.41	330.97	5.46	-35.95
CC1=CN(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644185	0	38	-1.0	-42.59	312.28	3.78	-38.81
CC1=CN(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644185	1	38	-1.0	-42.59	312.44	3.77	-38.82
CCOCCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644186	0	42	-1.0	-45.77	334.56	3.17	-42.60
CCOCCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644186	1	42	-1.0	-45.72	334.73	3.16	-42.56
CC(C)COC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644187	0	41	-1.0	-42.91	320.68	4.42	-38.49
CC(C)COC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644187	1	41	-1.0	-42.86	320.85	4.42	-38.44
O=C(CCC1=NC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644188	0	34	-1.0	-41.51	294.20	3.05	-38.46
O=C(CCC1=NC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644188	1	34	-1.0	-41.45	294.36	3.04	-38.41
CC(C)CCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644189	0	41	-1.0	-42.23	333.06	5.57	-36.66
CC(C)CCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644189	1	41	-1.0	-42.19	333.22	5.57	-36.62
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004644190	0	39	-1.0	-42.75	297.76	3.89	-38.86
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004644190	1	39	-1.0	-42.69	297.93	3.89	-38.80
CCCC(C)=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644191	0	38	-1.0	-40.48	299.75	4.95	-35.53
CCCC(C)=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644191	1	38	-1.0	-40.43	299.91	4.95	-35.48
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644192	0	31	-1.0	-41.04	269.18	1.90	-39.14
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644192	1	31	-1.0	-40.99	269.34	1.89	-39.10
CCOC(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644193	0	38	-1.0	-42.49	293.57	3.55	-38.94
CCOC(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644193	1	38	-1.0	-42.45	293.74	3.55	-38.90
O=C(C1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644194	0	33	-1.0	-42.15	257.87	1.24	-40.91
O=C(C1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644194	1	33	-1.0	-42.06	258.04	1.23	-40.83
CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644195	0	35	-1.0	-42.22	300.13	5.04	-37.18
CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644195	1	35	-1.0	-42.16	300.30	5.03	-37.13
O=C(C=C1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644196	0	39	-1.0	-40.83	297.75	5.24	-35.59
O=C(C=C1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644196	1	39	-1.0	-40.79	297.92	5.23	-35.56
CS(=O)(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644197	0	31	-1.0	-56.68	269.53	-0.83	-57.51
CS(=O)(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644197	1	31	-1.0	-56.61	269.70	-0.84	-57.45
CCS(=O)(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644198	0	34	-1.0	-56.13	290.96	0.04	-56.09
CCS(=O)(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644198	1	34	-1.0	-56.07	291.12	0.05	-56.02
O=C(C1=CC=CC2=C1CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644199	0	39	-1.0	-42.76	308.66	5.99	-36.77
O=C(C1=CC=CC2=C1CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644199	1	39	-1.0	-42.74	308.83	5.98	-36.76
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL250004644200	0	35	-1.0	-40.94	292.94	4.52	-36.42
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC=C1	REAL250004644200	1	35	-1.0	-40.92	293.11	4.51	-36.41
CC(OCC1CC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644201	0	39	-1.0	-43.46	310.32	4.49	-38.97
CC(OCC1CC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644201	1	39	-1.0	-43.44	310.49	4.49	-38.95
CC(C)OCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644202	0	35	-1.0	-43.39	282.81	3.21	-40.18
CC(C)OCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644202	1	35	-1.0	-43.35	282.98	3.21	-40.14
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644203	0	38	-1.0	-40.18	295.89	4.96	-35.22
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644203	1	38	-1.0	-40.20	296.06	4.95	-35.25
CC1CCCCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644204	0	44	-1.0	-40.58	318.27	5.66	-34.92
CC1CCCCC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644204	1	44	-1.0	-40.54	318.43	5.65	-34.89
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=CO1	REAL250004644205	0	31	-1.0	-42.80	257.27	0.80	-42.00
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CO1	REAL250004644205	1	31	-1.0	-42.73	257.44	0.79	-41.94
O=C(CC(C1CC1)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644206	0	42	-1.0	-40.72	323.41	6.36	-34.36
O=C(CC(C1CC1)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644206	1	42	-1.0	-40.65	323.57	6.37	-34.28
CCC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644207	0	34	-1.0	-40.47	291.64	2.71	-37.76
CCC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644207	1	34	-1.0	-40.44	291.81	2.71	-37.73
O=C(CCCN1C=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644208	0	38	-1.0	-48.40	311.35	5.48	-42.92
O=C(CCCN1C=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644208	1	38	-1.0	-48.37	311.51	5.49	-42.88
C=CCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644209	0	36	-1.0	-43.45	296.85	3.83	-39.62
C=CCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644209	1	36	-1.0	-43.40	297.01	3.84	-39.56
O=C(CCC1=CSC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644210	0	34	-1.0	-42.36	293.72	2.96	-39.40
O=C(CCC1=CSC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644210	1	34	-1.0	-42.33	293.88	2.95	-39.38
O=C(C1=CC=NC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644212	0	31	-1.0	-40.28	264.03	2.24	-38.04
O=C(C1=CC=NC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644212	1	31	-1.0	-40.23	264.19	2.24	-37.99
CN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644213	0	32	-1.0	-41.07	260.02	1.84	-39.23
CN1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644213	1	32	-1.0	-41.04	260.19	1.84	-39.20
O=C(CCCN1C=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644214	0	38	-1.0	-49.38	311.86	3.88	-45.50
O=C(CCCN1C=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644214	1	38	-1.0	-49.31	312.03	3.88	-45.43
COCCOCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644215	0	39	-1.0	-42.51	317.11	1.42	-41.09
COCCOCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644215	1	39	-1.0	-42.49	317.28	1.43	-41.06
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004644216	0	35	-1.0	-45.32	284.48	3.98	-41.34
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004644216	1	35	-1.0	-45.28	284.65	3.97	-41.31
O=C(CC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644218	0	28	-1.0	-43.08	245.39	2.55	-40.53
O=C(CC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644218	1	28	-1.0	-43.04	245.55	2.55	-40.49
O=C(C1CNC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644219	0	33	-1.0	-43.33	265.07	-0.50	-43.83
O=C(C1CNC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644219	1	33	-1.0	-43.28	265.23	-0.49	-43.77
CCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644220	0	35	-1.0	-43.44	284.04	3.27	-40.17
CCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644220	1	35	-1.0	-43.37	284.20	3.27	-40.10
CCCCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644221	0	41	-1.0	-42.90	322.08	4.52	-38.38
CCCCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644221	1	41	-1.0	-42.91	322.25	4.51	-38.40
CC(C)CCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644222	0	41	-1.0	-43.33	323.10	4.56	-38.77
CC(C)CCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644222	1	41	-1.0	-43.27	323.27	4.57	-38.70
CC(C)CCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644223	0	44	-1.0	-42.78	339.65	5.04	-37.74
CC(C)CCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644223	1	44	-1.0	-42.80	339.81	5.03	-37.77
COCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644224	0	38	-1.0	-41.84	304.63	2.74	-39.10
COCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644224	1	38	-1.0	-41.81	304.80	2.74	-39.07
NC(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644225	0	35	-1.0	-51.65	287.14	-0.26	-51.91
NC(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644225	1	35	-1.0	-51.58	287.31	-0.26	-51.84
C=CCCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644226	0	39	-1.0	-42.89	313.39	4.30	-38.59
C=CCCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644226	1	39	-1.0	-42.91	313.56	4.29	-38.62
O=C(C1=CN2C=NN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644227	0	34	-1.0	-45.66	289.09	5.53	-40.13
O=C(C1=CN2C=NN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644227	1	34	-1.0	-45.60	289.26	5.52	-40.08
O=C(C=CC1=CSC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644228	0	32	-1.0	-43.46	283.20	2.79	-40.67
O=C(C=CC1=CSC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644228	1	32	-1.0	-43.41	283.36	2.79	-40.62
CN1C=C(C(=O)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644229	0	34	-1.0	-42.57	286.09	1.83	-40.74
CN1C=C(C(=O)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644229	1	34	-1.0	-42.50	286.26	1.84	-40.66
CCC(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644230	0	35	-1.0	-41.68	277.99	2.81	-38.87
CCC(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644230	1	35	-1.0	-41.67	278.16	2.80	-38.87
O=C(CCN1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644231	0	41	-1.0	-41.60	316.50	0.61	-40.99
O=C(CCN1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644231	1	41	-1.0	-41.65	316.34	0.62	-41.03
O=C(CCC1=CC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644232	0	37	-1.0	-42.91	303.59	4.15	-38.76
O=C(CCC1=CC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644232	1	37	-1.0	-42.90	303.76	4.16	-38.74
O=C(CCN1C=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644233	0	35	-1.0	-43.12	289.89	4.70	-38.42
O=C(CCN1C=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644233	1	35	-1.0	-43.04	290.06	4.70	-38.34
CCCC1=NNC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644234	0	38	-1.0	-44.10	307.22	2.65	-41.45
CCCC1=NNC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644234	1	38	-1.0	-44.05	307.39	2.64	-41.41
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CC1	REAL250004644235	0	32	-1.0	-38.66	269.71	3.43	-35.23
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C(F)(F)F)CC1	REAL250004644235	1	32	-1.0	-38.64	269.88	3.42	-35.22
CN1C=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644236	0	35	-1.0	-45.73	290.79	2.90	-42.83
CN1C=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644236	1	35	-1.0	-45.67	290.95	2.90	-42.77
CCN1N=C(C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644237	0	38	-1.0	-40.94	303.78	3.29	-37.65
CCN1N=C(C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644237	1	38	-1.0	-40.92	303.95	3.28	-37.64
O=C(COC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644238	0	35	-1.0	-45.22	291.77	3.24	-41.98
O=C(COC1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644238	1	35	-1.0	-45.18	291.94	3.25	-41.93
CCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644239	0	37	-1.0	-40.71	272.68	3.32	-37.39
CCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644239	1	37	-1.0	-40.66	272.85	3.31	-37.35
O=C(C1CCCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644240	0	41	-1.0	-39.45	295.15	4.77	-34.68
O=C(C1CCCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644240	1	41	-1.0	-39.40	295.31	4.76	-34.64
COC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644241	0	35	-1.0	-43.04	280.77	2.71	-40.33
COC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644241	1	35	-1.0	-42.98	280.93	2.71	-40.27
O=C(C1=CC=CC(F)=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644242	0	32	-1.0	-47.44	275.87	4.22	-43.22
O=C(C1=CC=CC(F)=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644242	1	32	-1.0	-47.41	276.03	4.21	-43.20
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004644243	0	39	-1.0	-40.54	283.72	2.06	-38.48
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004644243	1	39	-1.0	-40.51	283.89	2.06	-38.45
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004644244	0	38	-1.0	-40.52	281.36	4.07	-36.45
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004644244	1	38	-1.0	-40.47	281.53	4.07	-36.40
CC1CCCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644245	0	44	-1.0	-40.62	328.68	6.01	-34.61
CC1CCCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644245	1	44	-1.0	-40.56	328.85	6.01	-34.55
N#CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004644246	0	36	-1.0	-44.54	308.87	5.50	-39.04
N#CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004644246	1	36	-1.0	-44.46	309.03	5.50	-38.96
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1CCOCC1	REAL250004644247	0	41	-1.0	-41.22	305.53	0.22	-41.00
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1CCOCC1	REAL250004644247	1	41	-1.0	-41.18	305.69	0.21	-40.97
CC(=O)NC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644248	0	38	-1.0	-38.30	291.18	1.65	-36.65
CC(=O)NC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644248	1	38	-1.0	-38.23	291.34	1.64	-36.59
CCCC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644249	0	40	-1.0	-40.49	305.91	4.91	-35.58
CCCC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644249	1	40	-1.0	-40.46	306.08	4.91	-35.55
CC1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644250	0	38	-1.0	-42.67	309.42	5.78	-36.89
CC1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644250	1	38	-1.0	-42.61	309.59	5.79	-36.82
CCOCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644251	0	35	-1.0	-40.41	283.49	2.16	-38.25
CCOCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644251	1	35	-1.0	-40.37	283.65	2.16	-38.21
CCSC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004644252	0	41	-1.0	-42.14	316.16	5.09	-37.05
CCSC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004644252	1	41	-1.0	-42.10	316.32	5.09	-37.01
CC(C)CC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644253	0	43	-1.0	-40.44	323.06	5.41	-35.03
CC(C)CC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644253	1	43	-1.0	-40.35	323.23	5.42	-34.93
CNC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644254	0	36	-1.0	-41.97	295.90	0.72	-41.25
CNC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644254	1	36	-1.0	-41.98	296.07	0.72	-41.26
CC1=CC=C(F)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644255	0	35	-1.0	-45.14	292.45	4.87	-40.27
CC1=CC=C(F)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644255	1	35	-1.0	-45.07	292.61	4.86	-40.21
O=C(CCN1CCCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644256	0	39	-1.0	-45.87	314.06	3.19	-42.68
O=C(CCN1CCCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644256	1	39	-1.0	-45.85	314.23	3.19	-42.66
O=C(C1CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644257	0	36	-1.0	-40.18	279.61	2.17	-38.01
O=C(C1CCCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644257	1	36	-1.0	-40.14	279.77	2.16	-37.98
NC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644258	0	33	-1.0	-40.01	273.71	-0.76	-40.77
NC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644258	1	33	-1.0	-39.94	273.87	-0.77	-40.71
O=C(C1=CSC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644259	0	28	-1.0	-43.63	247.32	1.94	-41.69
O=C(C1=CSC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644259	1	28	-1.0	-43.61	247.49	1.93	-41.68
CCNC(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644260	0	41	-1.0	-51.42	330.56	2.06	-49.36
CCNC(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644260	1	41	-1.0	-51.38	330.72	2.07	-49.31
CCNC(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644261	0	38	-1.0	-43.02	309.06	1.28	-41.74
CCNC(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644261	1	38	-1.0	-43.00	309.23	1.28	-41.72
CCCNC(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644262	0	41	-1.0	-42.77	330.56	2.05	-40.72
CCCNC(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644262	1	41	-1.0	-42.77	330.73	2.05	-40.72
O=C(C1=COCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644263	0	31	-1.0	-42.62	248.68	1.64	-40.98
O=C(C1=COCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644263	1	31	-1.0	-42.59	248.85	1.64	-40.95
CCC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644264	0	35	-1.0	-42.07	286.92	0.56	-41.51
CCC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644264	1	35	-1.0	-42.07	287.09	0.57	-41.50
CNC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644265	0	39	-1.0	-39.24	305.19	1.04	-38.20
CNC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644265	1	39	-1.0	-39.22	305.35	1.03	-38.19
COC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL250004644266	0	33	-1.0	-46.19	282.47	2.67	-43.52
COC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC=C1	REAL250004644266	1	33	-1.0	-46.18	282.64	2.66	-43.52
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004644267	0	37	-1.0	-42.35	289.36	1.57	-40.78
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004644267	1	37	-1.0	-42.32	289.52	1.56	-40.76
O=C(C1=CN2C=CN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644268	0	35	-1.0	-43.28	294.43	4.81	-38.47
O=C(C1=CN2C=CN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644268	1	35	-1.0	-43.27	294.60	4.80	-38.47
CN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644269	0	32	-1.0	-45.25	266.11	2.50	-42.75
CN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644269	1	32	-1.0	-45.24	266.28	2.49	-42.75
COCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644270	0	36	-1.0	-46.06	296.16	1.72	-44.34
COCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644270	1	36	-1.0	-46.04	296.33	1.72	-44.32
CCCC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644271	0	37	-1.0	-40.68	286.35	4.02	-36.66
CCCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644271	1	37	-1.0	-40.64	286.52	4.01	-36.63
CC(C)C1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004644272	0	38	-1.0	-44.45	305.73	3.55	-40.90
CC(C)C1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004644272	1	38	-1.0	-44.44	305.89	3.56	-40.88
O=C(C1=CN2C=CC=CC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644273	0	36	-1.0	-44.35	294.81	5.74	-38.61
O=C(C1=CN2C=CC=CC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644273	1	36	-1.0	-44.32	294.98	5.73	-38.59
CN(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(=O)C1CC1	REAL250004644274	0	39	-1.0	-46.69	316.29	3.64	-43.05
CN(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(=O)C1CC1	REAL250004644274	1	39	-1.0	-46.68	316.45	3.64	-43.04
COCC(=O)NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644275	0	39	-1.0	-53.16	321.78	0.61	-52.55
COCC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644275	1	39	-1.0	-53.10	321.95	0.61	-52.49
NC(=O)CSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644276	0	33	-1.0	-52.05	288.49	-0.44	-52.49
NC(=O)CSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644276	1	33	-1.0	-52.02	288.66	-0.44	-52.46
CC1=NON=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644277	0	30	-1.0	-37.15	254.04	1.95	-35.20
CC1=NON=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644277	1	30	-1.0	-37.12	254.21	1.95	-35.17
O=C(C1=C2C=CC=CN2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644279	0	35	-1.0	-47.04	291.48	3.86	-43.18
O=C(C1=C2C=CC=CN2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644279	1	35	-1.0	-47.03	291.65	3.85	-43.18
C#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644281	0	33	-1.0	-42.27	285.28	4.33	-37.94
C#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644281	1	33	-1.0	-42.21	285.45	4.32	-37.89
O=C(CC1CCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644282	0	36	-1.0	-47.09	289.40	0.82	-46.27
O=C(CC1CCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644282	1	36	-1.0	-47.02	289.57	0.82	-46.20
O=C(C1CCC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644283	0	39	-1.0	-42.17	310.67	6.03	-36.14
O=C(C1CCC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644283	1	39	-1.0	-42.11	310.83	6.03	-36.08
O=C([C@H]1CCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644284	0	33	-1.0	-47.42	268.93	-0.08	-47.50
O=C([C@H]1CCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644284	1	33	-1.0	-47.36	269.09	-0.09	-47.45
COC(=O)NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644286	0	36	-1.0	-47.76	299.64	-0.14	-47.90
COC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644286	1	36	-1.0	-47.72	299.80	-0.15	-47.87
O=C(C1=CC=C(F)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644287	0	31	-1.0	-39.99	264.87	2.18	-37.81
O=C(C1=CC=C(F)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644287	1	31	-1.0	-39.95	265.04	2.17	-37.78
COC(=O)NC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644288	0	39	-1.0	-38.54	303.59	1.17	-37.37
COC(=O)NC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644288	1	39	-1.0	-38.51	303.76	1.18	-37.33
O=C(C1=CC=C2NC=CC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644289	0	36	-1.0	-45.80	292.93	4.07	-41.73
O=C(C1=CC=C2NC=CC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644289	1	36	-1.0	-45.76	293.10	4.06	-41.70
COC(=O)NCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644290	0	39	-1.0	-45.32	321.13	0.67	-44.65
COC(=O)NCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644290	1	39	-1.0	-45.29	321.30	0.66	-44.63
O=C(C1=CC(=O)N[N-]1)N1CCN(C2=NNN=N2)CC1	REAL250004644291	1	30	-1.0	-39.35	254.66	-0.99	-40.34
CN1C=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004644292	0	35	-1.0	-59.48	292.38	3.05	-56.43
CN1C=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004644292	1	35	-1.0	-59.43	292.54	3.04	-56.39
C#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644293	0	33	-1.0	-42.79	283.90	3.23	-39.56
C#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644293	1	33	-1.0	-42.80	284.06	3.23	-39.57
O=C(CC1=CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644294	0	39	-1.0	-41.20	303.86	5.34	-35.86
O=C(CC1=CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644294	1	39	-1.0	-41.13	304.03	5.34	-35.79
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004644295	0	32	-1.0	-45.56	264.89	2.31	-43.25
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004644295	1	32	-1.0	-45.56	265.05	2.32	-43.24
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004644296	0	43	-1.0	-39.80	314.29	5.24	-34.56
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004644296	1	43	-1.0	-39.75	314.46	5.24	-34.51
COCC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644297	0	35	-1.0	-39.36	281.03	1.77	-37.59
COCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644297	1	35	-1.0	-39.29	281.19	1.76	-37.53
CC(C)(C)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644298	0	43	-1.0	-40.76	326.19	5.36	-35.40
CC(C)(C)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644298	1	43	-1.0	-40.72	326.36	5.36	-35.36
C=CCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644299	0	33	-1.0	-43.96	275.44	3.04	-40.92
C=CCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644299	1	33	-1.0	-43.92	275.61	3.05	-40.87
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004644300	0	35	-1.0	-40.21	290.35	4.80	-35.41
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004644300	1	35	-1.0	-40.13	290.52	4.80	-35.33
O=C(COCC1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644301	0	40	-1.0	-46.96	319.54	2.89	-44.07
O=C(COCC1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644301	1	40	-1.0	-46.90	319.70	2.90	-44.00
O=C(C1=COC2=CC=CC=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644302	0	35	-1.0	-45.18	292.33	4.61	-40.57
O=C(C1=COC2=CC=CC=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644302	1	35	-1.0	-45.17	292.49	4.60	-40.57
O=C(C=CC1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644303	0	40	-1.0	-41.68	314.93	3.59	-38.09
O=C(C=CC1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644303	1	40	-1.0	-41.63	315.10	3.58	-38.05
CC1=NN(C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644304	0	35	-1.0	-45.09	285.91	2.44	-42.65
CC1=NN(C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644304	1	35	-1.0	-45.03	286.08	2.43	-42.60
CSC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644305	0	33	-1.0	-39.53	288.05	3.62	-35.91
CSC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644305	1	33	-1.0	-39.49	288.22	3.62	-35.87
CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644306	0	35	-1.0	-43.33	286.75	2.67	-40.66
CCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644306	1	35	-1.0	-43.29	286.92	2.66	-40.63
COC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644307	0	34	-1.0	-41.61	285.35	-1.29	-42.90
COC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644307	1	34	-1.0	-41.56	285.51	-1.29	-42.85
CCCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644308	0	38	-1.0	-43.44	305.54	4.05	-39.39
CCCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644308	1	38	-1.0	-43.40	305.70	4.05	-39.35
CC(C)(C)C(=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644309	0	36	-1.0	-37.70	282.90	3.12	-34.58
CC(C)(C)C(=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644309	1	36	-1.0	-37.67	283.07	3.11	-34.56
CN1CCCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644310	1	40	-1.0	-40.48	299.71	2.07	-38.41
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CCCCCC(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644312	0	44	-1.0	-43.93	344.63	3.59	-40.34
CCCCCC(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644312	1	44	-1.0	-43.86	344.79	3.59	-40.27
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CC1=NC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644314	1	34	-1.0	-42.17	276.40	2.90	-39.27
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CSCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644315	1	35	-1.0	-38.98	290.97	3.82	-35.16
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CC1=CC(=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004644316	1	35	-1.0	-64.04	294.36	2.52	-61.52
CC1=CC=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644317	0	34	-1.0	-40.99	277.44	2.93	-38.06
CC1=CC=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644317	1	34	-1.0	-40.95	277.61	2.92	-38.03
CCN1CCOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644318	0	41	-1.0	-41.30	312.39	1.44	-39.86
CCN1CCOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644318	1	41	-1.0	-41.29	312.56	1.45	-39.84
CC1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644319	0	41	-1.0	-39.91	299.77	4.88	-35.03
CC1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644319	1	41	-1.0	-39.84	299.93	4.87	-34.97
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CC(C)C1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=CO1	REAL250004644321	0	37	-1.0	-42.70	298.86	2.20	-40.50
CC(C)C1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CO1	REAL250004644321	1	37	-1.0	-42.66	299.03	2.19	-40.47
CN(C)C(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644322	0	41	-1.0	-51.98	326.84	3.18	-48.80
CN(C)C(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644322	1	41	-1.0	-51.93	327.01	3.18	-48.75
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O=C(COC1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644323	1	40	-1.0	-44.78	315.80	2.74	-42.04
CCCCC(CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644324	0	46	-1.0	-40.51	345.45	6.31	-34.20
CCCCC(CC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644324	1	46	-1.0	-40.46	345.61	6.31	-34.15
CC(C)C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644325	0	37	-1.0	-40.68	283.08	3.84	-36.84
CC(C)C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644325	1	37	-1.0	-40.64	283.25	3.83	-36.81
O=C(C1CCSCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644326	0	36	-1.0	-40.66	288.94	4.20	-36.46
O=C(C1CCSCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644326	1	36	-1.0	-40.63	289.11	4.20	-36.43
CC(C)N1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644327	0	38	-1.0	-44.08	305.80	3.83	-40.25
CC(C)N1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644327	1	38	-1.0	-44.04	305.97	3.82	-40.22
CC1CCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644328	0	44	-1.0	-40.76	321.65	5.79	-34.97
CC1CCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644328	1	44	-1.0	-40.71	321.82	5.79	-34.92
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004644329	0	40	-1.0	-40.62	286.90	3.98	-36.64
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004644329	1	40	-1.0	-40.56	287.07	3.97	-36.59
CC(CC1CCCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644330	0	44	-1.0	-41.15	326.62	5.83	-35.32
CC(CC1CCCC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644330	1	44	-1.0	-41.15	326.79	5.83	-35.32
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O=C(CCC1CCCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644331	1	42	-1.0	-41.89	324.18	4.05	-37.84
N#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644332	0	32	-1.0	-42.29	278.88	3.54	-38.75
N#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644332	1	32	-1.0	-42.27	279.04	3.53	-38.74
CC(C)C1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644333	0	37	-1.0	-38.89	301.39	3.48	-35.41
CC(C)C1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644333	1	37	-1.0	-38.85	301.56	3.47	-35.38
COC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644334	0	35	-1.0	-43.16	264.63	2.08	-41.08
COC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644334	1	35	-1.0	-43.15	264.79	2.09	-41.06
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CC1=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004644337	0	34	-1.0	-47.02	284.17	3.30	-43.72
CC1=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004644337	1	34	-1.0	-46.93	284.34	3.31	-43.62
O=C(CC1(O)CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644338	0	42	-1.0	-39.50	311.95	3.42	-36.08
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CC(OC1CCCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644339	0	42	-1.0	-43.01	320.73	4.88	-38.13
CC(OC1CCCC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644339	1	42	-1.0	-42.95	320.90	4.87	-38.08
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NC1=NC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644341	0	32	-1.0	-41.85	271.20	-0.68	-42.53
NC1=NC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644341	1	32	-1.0	-41.82	271.37	-0.69	-42.51
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O=C(NC1CC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644342	1	33	-1.0	-38.94	274.11	0.43	-38.51
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=NN1C	REAL250004644343	0	34	-1.0	-44.68	276.94	1.48	-43.20
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=NN1C	REAL250004644343	1	34	-1.0	-44.65	277.10	1.47	-43.18
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL250004644344	0	35	-1.0	-41.76	293.72	4.67	-37.09
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL250004644344	1	35	-1.0	-41.71	293.89	4.66	-37.05
CC(C)(C)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644345	0	40	-1.0	-40.52	304.69	4.59	-35.93
CC(C)(C)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644345	1	40	-1.0	-40.51	304.86	4.59	-35.92
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644346	0	33	-1.0	-38.44	269.83	3.11	-35.33
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644346	1	33	-1.0	-38.39	270.00	3.12	-35.27
O=C(C1=CC=C(Cl)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644347	0	31	-1.0	-40.45	274.40	3.69	-36.76
O=C(C1=CC=C(Cl)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644347	1	31	-1.0	-40.39	274.56	3.68	-36.71
O=C(CC1(O)CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644348	0	39	-1.0	-40.51	297.30	2.47	-38.04
O=C(CC1(O)CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644348	1	39	-1.0	-40.52	297.47	2.47	-38.05
O=C(C1CC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644349	0	36	-1.0	-40.63	292.31	5.58	-35.05
O=C(C1CC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644349	1	36	-1.0	-40.61	292.47	5.58	-35.03
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CSC=C1	REAL250004644350	0	35	-1.0	-41.27	293.73	4.54	-36.73
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CSC=C1	REAL250004644350	1	35	-1.0	-41.24	293.89	4.53	-36.71
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=CO1	REAL250004644351	0	34	-1.0	-42.96	278.45	1.54	-41.42
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CO1	REAL250004644351	1	34	-1.0	-42.94	278.61	1.53	-41.41
O=C(C1=NC=CN2C=CN=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644353	0	34	-1.0	-51.91	285.23	3.80	-48.11
O=C(C1=NC=CN2C=CN=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644353	1	34	-1.0	-51.90	285.39	3.79	-48.11
CCCCSCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644354	0	41	-1.0	-39.74	337.16	5.82	-33.92
CCCCSCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644354	1	41	-1.0	-39.74	337.32	5.83	-33.91
O=C(C=CC1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644355	0	42	-1.0	-40.73	323.98	5.99	-34.74
O=C(C=CC1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644355	1	42	-1.0	-40.72	324.15	5.99	-34.73
CC1CCC(=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644356	0	42	-1.0	-40.40	318.43	5.76	-34.64
CC1CCC(=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644356	1	42	-1.0	-40.33	318.60	5.76	-34.57
CSCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644357	0	38	-1.0	-41.64	315.69	4.91	-36.73
CSCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644357	1	38	-1.0	-41.61	315.86	4.91	-36.70
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CCOC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644360	0	38	-1.0	-39.93	311.15	4.22	-35.71
CCOC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644360	1	38	-1.0	-39.91	311.32	4.22	-35.69
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CC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644362	0	41	-1.0	-39.96	299.77	4.89	-35.07
CC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644362	1	41	-1.0	-39.93	299.94	4.88	-35.05
COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004644364	0	34	-1.0	-41.29	284.83	-0.05	-41.34
COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004644364	1	34	-1.0	-41.29	285.01	-0.03	-41.32
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O=C(C1=CC=NC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644365	1	31	-1.0	-43.66	265.07	2.41	-41.25
O=C(C(O)C1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644366	0	40	-1.0	-39.79	298.53	0.35	-39.44
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O=C(C1CCCCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644368	1	44	-1.0	-39.67	304.23	5.10	-34.57
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL250004644369	0	35	-1.0	-44.29	286.51	4.37	-39.92
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL250004644369	1	35	-1.0	-44.26	286.68	4.36	-39.90
CC1=CC(F)=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644370	0	35	-1.0	-39.72	291.44	4.82	-34.90
CC1=CC(F)=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644370	1	35	-1.0	-39.69	291.60	4.83	-34.86
O=C(CC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644371	0	35	-1.0	-41.08	275.76	4.19	-36.89
O=C(CC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644371	1	35	-1.0	-41.06	275.93	4.19	-36.87
CC1CCC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644372	0	42	-1.0	-40.98	327.23	4.05	-36.93
CC1CCC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644372	1	42	-1.0	-40.91	327.39	4.04	-36.87
CCC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644373	0	40	-1.0	-39.79	295.39	4.49	-35.30
CCC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644373	1	40	-1.0	-39.73	295.56	4.49	-35.24
O=C(C1CCCS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644374	0	33	-1.0	-43.08	271.36	3.73	-39.35
O=C(C1CCCS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644374	1	33	-1.0	-42.99	271.52	3.73	-39.26
COCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004644375	0	35	-1.0	-42.25	294.48	1.81	-40.44
COCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004644375	1	35	-1.0	-42.17	294.65	1.81	-40.36
O=C(C1=CC=NC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644376	0	31	-1.0	-42.15	273.64	2.81	-39.34
O=C(C1=CC=NC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644376	1	31	-1.0	-42.12	273.81	2.82	-39.30
O=C(CCC1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644377	0	42	-1.0	-42.21	321.29	3.69	-38.52
O=C(CCC1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644377	1	42	-1.0	-42.17	321.46	3.69	-38.48
CC1=CC=C(C(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644378	0	38	-1.0	-44.19	308.47	5.19	-39.00
CC1=CC=C(C(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644378	1	38	-1.0	-44.15	308.63	5.19	-38.96
CN1CCOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644379	0	38	-1.0	-42.20	293.57	0.63	-41.57
CN1CCOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644379	1	38	-1.0	-42.18	293.73	0.62	-41.56
CC1=NC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644380	0	34	-1.0	-40.36	279.03	0.42	-39.94
CC1=NC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644380	1	34	-1.0	-40.32	279.20	0.42	-39.90
CN(C)C(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644381	0	35	-1.0	-51.90	281.44	3.08	-48.82
CN(C)C(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644381	1	35	-1.0	-51.87	281.60	3.08	-48.79
O=C(CCCC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644382	0	44	-1.0	-41.01	335.16	6.27	-34.74
O=C(CCCC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644382	1	44	-1.0	-40.97	335.33	6.28	-34.69
CCCCCCC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644383	0	46	-1.0	-40.55	351.65	6.40	-34.15
CCCCCCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644383	1	46	-1.0	-40.53	351.82	6.39	-34.14
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004644384	0	31	-1.0	-41.66	262.46	2.93	-38.73
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004644384	1	31	-1.0	-41.56	262.62	2.93	-38.63
CCCCCC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644385	0	46	-1.0	-40.48	348.96	6.49	-33.99
CCCCCC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644385	1	46	-1.0	-40.46	349.12	6.48	-33.98
O=C(C1=CC=CC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644386	0	32	-1.0	-45.56	273.01	1.01	-44.55
O=C(C1=CC=CC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644386	1	32	-1.0	-45.51	273.17	1.01	-44.50
O=C(CCC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644387	0	38	-1.0	-40.89	297.69	4.99	-35.90
O=C(CCC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644387	1	38	-1.0	-40.88	297.85	4.99	-35.89
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004644388	0	41	-1.0	-40.74	309.74	5.12	-35.62
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004644388	1	41	-1.0	-40.70	309.91	5.11	-35.59
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004644389	0	35	-1.0	-45.14	291.26	4.82	-40.32
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004644389	1	35	-1.0	-45.10	291.43	4.82	-40.28
NC(=O)C1=CNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644390	0	34	-1.0	-53.17	284.28	-0.84	-54.01
NC(=O)C1=CNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644390	1	34	-1.0	-53.15	284.45	-0.85	-54.00
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644391	0	35	-1.0	-40.63	275.81	3.83	-36.80
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644391	1	35	-1.0	-40.60	275.97	3.82	-36.78
CC1=CSC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644392	0	32	-1.0	-41.33	272.33	3.76	-37.57
CC1=CSC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644392	1	32	-1.0	-41.29	272.49	3.75	-37.54
O=C(C1=C2NC=CC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644393	0	36	-1.0	-43.10	295.57	4.13	-38.97
O=C(C1=C2NC=CC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644393	1	36	-1.0	-43.06	295.73	4.12	-38.94
N#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644394	0	30	-1.0	-40.16	274.97	3.64	-36.52
N#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644394	1	30	-1.0	-40.14	275.13	3.64	-36.50
CC1=CC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644395	0	35	-1.0	-41.08	284.48	3.96	-37.12
CC1=CC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644395	1	35	-1.0	-41.03	284.65	3.96	-37.07
O=C(CCN1C=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644396	0	36	-1.0	-40.57	295.16	4.97	-35.60
O=C(CCN1C=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644396	1	36	-1.0	-40.50	295.33	4.97	-35.53
C=CCOCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644397	0	39	-1.0	-43.59	317.93	3.52	-40.07
C=CCOCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644397	1	39	-1.0	-43.53	318.10	3.52	-40.01
CC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644398	0	34	-1.0	-41.18	278.95	2.84	-38.34
CC1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644398	1	34	-1.0	-41.16	279.12	2.84	-38.32
O=C(CCC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644399	0	31	-1.0	-40.05	267.59	3.27	-36.78
O=C(CCC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644399	1	31	-1.0	-40.01	267.76	3.28	-36.73
O=C(C1CC12CCOCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644400	0	40	-1.0	-41.33	307.73	3.59	-37.74
O=C(C1CC12CCOCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644400	1	40	-1.0	-41.32	307.89	3.58	-37.74
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=N1	REAL250004644401	0	31	-1.0	-41.42	257.41	-0.19	-41.61
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=N1	REAL250004644401	1	31	-1.0	-41.39	257.58	-0.20	-41.59
CN1CCCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644402	1	40	-1.0	-40.35	299.41	2.08	-38.27
O=C(C1C2CCCC21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644403	0	36	-1.0	-40.73	283.19	4.78	-35.95
O=C(C1C2CCCC21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644403	1	36	-1.0	-40.66	283.36	4.78	-35.88
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644404	0	35	-1.0	-40.93	277.16	4.13	-36.80
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644404	1	35	-1.0	-40.91	277.32	4.13	-36.78
NC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644405	0	38	-1.0	-49.64	300.60	0.01	-49.63
NC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644405	1	38	-1.0	-49.60	300.77	0.01	-49.59
O=C(CC1CCCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644406	0	44	-1.0	-40.66	319.56	5.79	-34.87
O=C(CC1CCCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644406	1	44	-1.0	-40.56	319.73	5.78	-34.78
N#CC1=CNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644407	0	31	-1.0	-45.95	268.37	2.86	-43.09
N#CC1=CNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644407	1	31	-1.0	-45.92	268.54	2.86	-43.06
O=C(C#CC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644408	0	34	-1.0	-41.13	295.77	5.77	-35.36
O=C(C#CC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644408	1	34	-1.0	-41.10	295.94	5.77	-35.33
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CN(C)N=C1	REAL250004644409	0	38	-1.0	-45.08	307.06	3.26	-41.82
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CN(C)N=C1	REAL250004644409	1	38	-1.0	-45.04	307.22	3.26	-41.78
CCCCCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644410	0	46	-1.0	-40.78	337.18	5.64	-35.14
CCCCCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644410	1	46	-1.0	-40.76	337.34	5.63	-35.13
O=C(CCC1=COC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644411	0	35	-1.0	-42.29	290.11	3.86	-38.43
O=C(CCC1=COC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644411	1	35	-1.0	-42.22	290.28	3.87	-38.35
CC(C)CC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644412	0	43	-1.0	-40.34	307.15	5.05	-35.29
CC(C)CC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644412	1	43	-1.0	-40.29	307.31	5.05	-35.24
O=C(CCC1CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644413	0	42	-1.0	-41.63	321.28	3.73	-37.90
O=C(CCC1CCCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644413	1	42	-1.0	-41.59	321.45	3.72	-37.87
CC1=CC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644414	0	34	-1.0	-42.79	282.51	2.88	-39.91
CC1=CC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644414	1	34	-1.0	-42.76	282.68	2.87	-39.89
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644415	0	38	-1.0	-40.64	285.33	4.08	-36.56
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644415	1	38	-1.0	-40.59	285.49	4.08	-36.51
CC1(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(C)C	REAL250004644416	0	41	-1.0	-40.03	308.54	5.00	-35.03
CC1(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(C)C	REAL250004644416	1	41	-1.0	-39.97	308.70	5.00	-34.97
O=C(CCC1=NN=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644417	0	34	-1.0	-47.89	283.40	3.33	-44.56
O=C(CCC1=NN=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644417	1	34	-1.0	-47.88	283.57	3.33	-44.55
CNS(=O)(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644418	0	33	-1.0	-52.23	284.43	-2.39	-54.62
CNS(=O)(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644418	1	33	-1.0	-52.18	284.60	-2.40	-54.58
CSC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644419	0	30	-1.0	-40.99	262.52	3.02	-37.97
CSC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644419	1	30	-1.0	-40.96	262.69	3.01	-37.95
O=C(CCC1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644420	0	39	-1.0	-41.82	304.57	2.94	-38.88
O=C(CCC1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644420	1	39	-1.0	-41.77	304.73	2.94	-38.83
N#CC1=CSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644421	0	30	-1.0	-43.03	273.36	3.41	-39.62
N#CC1=CSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644421	1	30	-1.0	-43.00	273.53	3.40	-39.60
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)C(F)F	REAL250004644422	0	28	-1.0	-38.37	249.09	2.45	-35.92
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)C(F)F	REAL250004644422	1	28	-1.0	-38.34	249.25	2.45	-35.89
O=C(CN1C=CN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644423	0	31	-1.0	-51.19	262.08	1.21	-49.98
O=C(CN1C=CN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644423	1	31	-1.0	-51.13	262.25	1.21	-49.92
O=C(C1=NC=NC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644424	0	30	-1.0	-40.03	268.12	3.34	-36.69
O=C(C1=NC=NC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644424	1	30	-1.0	-40.02	268.28	3.33	-36.69
O=CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644425	0	32	-1.0	-44.25	271.91	2.00	-42.25
O=CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644425	1	32	-1.0	-44.22	272.08	1.99	-42.23
COC1=CSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644426	0	33	-1.0	-41.49	282.88	2.36	-39.13
COC1=CSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644426	1	33	-1.0	-41.43	283.05	2.35	-39.08
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1	REAL250004644427	0	33	-1.0	-43.52	268.90	2.65	-40.87
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1	REAL250004644427	1	33	-1.0	-43.49	269.06	2.65	-40.84
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644428	0	35	-1.0	-41.16	267.41	3.52	-37.64
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644428	1	35	-1.0	-41.20	267.58	3.51	-37.69
C=CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644429	0	35	-1.0	-41.36	283.81	4.26	-37.10
C=CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644429	1	35	-1.0	-41.32	283.98	4.25	-37.07
CC(C)CCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644430	0	46	-1.0	-40.84	353.02	6.52	-34.32
CC(C)CCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644430	1	46	-1.0	-40.78	353.19	6.52	-34.26
CC1=CC=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644431	0	38	-1.0	-42.36	312.08	4.87	-37.49
CC1=CC=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644431	1	38	-1.0	-42.32	312.25	4.86	-37.46
COC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644432	0	35	-1.0	-41.71	288.24	2.00	-39.71
COC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644432	1	35	-1.0	-41.69	288.41	2.00	-39.69
O=C(COC1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644433	0	37	-1.0	-46.10	297.98	1.94	-44.16
O=C(COC1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644433	1	37	-1.0	-46.08	298.14	1.95	-44.13
O=C(C1CC12CCCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644434	0	39	-1.0	-40.15	303.48	5.25	-34.90
O=C(C1CC12CCCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644434	1	39	-1.0	-40.11	303.65	5.24	-34.87
O=CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL250004644435	0	31	-1.0	-42.78	275.59	2.88	-39.90
O=CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004644435	1	31	-1.0	-42.74	275.76	2.88	-39.86
O=C(C1CC(F)(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644436	0	32	-1.0	-40.40	267.56	3.55	-36.85
O=C(C1CC(F)(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644436	1	32	-1.0	-40.32	267.73	3.55	-36.77
O=C(C1=CC(=O)NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644437	0	32	-1.0	-51.56	267.69	0.99	-50.57
O=C(C1=CC(=O)NC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644437	1	32	-1.0	-51.49	267.85	0.98	-50.51
CCCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644438	0	38	-1.0	-40.94	299.87	4.66	-36.28
CCCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644438	1	38	-1.0	-40.91	300.03	4.66	-36.25
CCC(CC)(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644439	0	43	-1.0	-40.51	303.59	4.22	-36.29
CCC(CC)(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644439	1	43	-1.0	-40.52	303.76	4.23	-36.29
COCCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644440	0	42	-1.0	-42.03	319.60	3.17	-38.86
COCCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644440	1	42	-1.0	-42.01	319.76	3.16	-38.85
CC1=NNC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644441	0	35	-1.0	-45.37	289.82	2.01	-43.36
CC1=NNC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644441	1	35	-1.0	-45.33	289.98	2.01	-43.32
CN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644442	0	33	-1.0	-44.49	269.87	3.73	-40.76
CN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644442	1	33	-1.0	-44.44	270.03	3.73	-40.71
COCC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644443	0	38	-1.0	-42.66	299.12	2.60	-40.06
COCC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644443	1	38	-1.0	-42.66	299.29	2.60	-40.06
O=C(CC1CCCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644444	0	39	-1.0	-42.83	302.14	4.03	-38.80
O=C(CC1CCCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644444	1	39	-1.0	-42.83	302.30	4.02	-38.81
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCO1	REAL250004644445	0	36	-1.0	-39.26	276.59	2.29	-36.97
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCO1	REAL250004644445	1	36	-1.0	-39.20	276.75	2.28	-36.92
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)COC1	REAL250004644446	0	36	-1.0	-42.02	277.99	1.42	-40.60
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)COC1	REAL250004644446	1	36	-1.0	-41.98	278.15	1.42	-40.56
CC(C)N1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644447	0	38	-1.0	-41.18	302.09	3.42	-37.76
CC(C)N1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644447	1	38	-1.0	-41.10	302.25	3.41	-37.69
O=C(CC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644448	0	34	-1.0	-44.95	282.85	3.34	-41.61
O=C(CC1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644448	1	34	-1.0	-44.89	283.02	3.34	-41.55
O=C(CC1=CC=C(O)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644449	0	36	-1.0	-44.57	299.03	2.26	-42.31
O=C(CC1=CC=C(O)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644449	1	36	-1.0	-44.49	299.20	2.26	-42.23
CC1=CC=CC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644450	0	38	-1.0	-41.21	306.48	5.32	-35.89
CC1=CC=CC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644450	1	38	-1.0	-41.22	306.64	5.33	-35.89
O=C(C1CCNC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644452	0	36	-1.0	-46.17	286.11	0.60	-45.57
O=C(C1CCNC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644452	1	36	-1.0	-46.11	286.28	0.59	-45.52
CC1(C)CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644453	0	44	-1.0	-40.26	323.12	5.43	-34.83
CC1(C)CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644453	1	44	-1.0	-40.23	323.29	5.43	-34.80
O=C(C(F)=C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644454	0	36	-1.0	-39.08	285.73	4.69	-34.39
O=C(C(F)=C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644454	1	36	-1.0	-39.03	285.90	4.68	-34.35
CCC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644455	0	38	-1.0	-41.42	301.56	5.39	-36.03
CCC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644455	1	38	-1.0	-41.39	301.73	5.39	-36.00
CCC1(C)CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644456	0	38	-1.0	-40.62	291.39	4.67	-35.95
CCC1(C)CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644456	1	38	-1.0	-40.57	291.56	4.66	-35.91
CCCC(C)(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644457	0	38	-1.0	-39.19	291.42	1.05	-38.14
CCCC(C)(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644457	1	38	-1.0	-39.17	291.59	1.05	-38.12
O=C(C1=CC=CC2=NC=CN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644458	0	35	-1.0	-45.48	293.76	4.57	-40.91
O=C(C1=CC=CC2=NC=CN21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644458	1	35	-1.0	-45.40	293.92	4.57	-40.83
O=C(C1CC12CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644459	0	36	-1.0	-40.90	285.01	4.79	-36.11
O=C(C1CC12CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644459	1	36	-1.0	-40.86	285.17	4.79	-36.07
CC1=CC=CC(F)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644460	0	35	-1.0	-42.42	293.33	4.87	-37.55
CC1=CC=CC(F)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644460	1	35	-1.0	-42.41	293.49	4.86	-37.55
O=C(C1=CN=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644461	0	31	-1.0	-39.97	263.93	2.26	-37.71
O=C(C1=CN=CC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644461	1	31	-1.0	-39.97	264.09	2.26	-37.71
CCCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644462	0	41	-1.0	-40.92	306.17	4.82	-36.10
CCCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644462	1	41	-1.0	-40.88	306.34	4.82	-36.06
CCC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC	REAL250004644463	0	38	-1.0	-40.23	295.63	4.91	-35.32
CCC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CC	REAL250004644463	1	38	-1.0	-40.19	295.79	4.91	-35.28
CC1=CC(=O)NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644464	0	35	-1.0	-45.26	291.21	1.69	-43.57
CC1=CC(=O)NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644464	1	35	-1.0	-45.20	291.37	1.69	-43.51
N#CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644466	0	32	-1.0	-52.01	284.32	3.35	-48.66
N#CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644466	1	32	-1.0	-51.95	284.49	3.35	-48.60
CC1CC(C#N)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644467	0	36	-1.0	-38.00	290.92	3.77	-34.23
CC1CC(C#N)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644467	1	36	-1.0	-37.93	291.09	3.76	-34.17
O=C(C1=CNC(C2CC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644468	0	36	-1.0	-44.93	295.03	3.85	-41.08
O=C(C1=CNC(C2CC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644468	1	36	-1.0	-44.90	295.20	3.85	-41.05
CC1CCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644469	0	41	-1.0	-40.86	312.58	5.40	-35.46
CC1CCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644469	1	41	-1.0	-40.82	312.75	5.40	-35.42
CCC(CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644470	0	40	-1.0	-40.53	298.55	4.66	-35.87
CCC(CC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644470	1	40	-1.0	-40.51	298.71	4.66	-35.85
CC=C(C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC	REAL250004644471	0	39	-1.0	-41.05	311.82	5.32	-35.73
CC=C(C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CC	REAL250004644471	1	39	-1.0	-41.01	311.99	5.32	-35.69
CC1CCC(=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644472	0	39	-1.0	-40.38	302.34	5.32	-35.06
CC1CCC(=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644472	1	39	-1.0	-40.38	302.51	5.31	-35.07
CC(C)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644473	0	38	-1.0	-40.81	286.27	4.19	-36.62
CC(C)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644473	1	38	-1.0	-40.82	286.43	4.18	-36.64
O=C(C1CCSC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644474	0	33	-1.0	-42.65	267.15	3.50	-39.15
O=C(C1CCSC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644474	1	33	-1.0	-42.61	267.31	3.50	-39.11
CC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644475	0	35	-1.0	-40.41	273.32	3.92	-36.49
CC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644475	1	35	-1.0	-40.37	273.50	3.92	-36.45
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)=C1CCCC1	REAL250004644476	0	39	-1.0	-41.12	307.26	5.18	-35.94
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)=C1CCCC1	REAL250004644476	1	39	-1.0	-41.08	307.42	5.17	-35.91
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCCCC1	REAL250004644477	0	39	-1.0	-38.72	288.24	1.59	-37.13
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCCCC1	REAL250004644477	1	39	-1.0	-38.69	288.41	1.59	-37.10
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCCC1	REAL250004644478	0	36	-1.0	-39.88	276.61	0.88	-39.00
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCCC1	REAL250004644478	1	36	-1.0	-39.81	276.77	0.87	-38.94
COCC(C)(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644479	0	36	-1.0	-39.21	285.60	-0.88	-40.09
COCC(C)(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644479	1	36	-1.0	-39.20	285.76	-0.88	-40.08
O=C(CC1CCSCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644480	0	39	-1.0	-41.52	307.73	5.05	-36.47
O=C(CC1CCSCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644480	1	39	-1.0	-41.51	307.90	5.05	-36.46
CCOC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004644481	0	44	-1.0	-42.08	334.89	4.87	-37.21
CCOC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004644481	1	44	-1.0	-41.98	335.05	4.86	-37.12
CN1C=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644482	0	32	-1.0	-46.51	265.62	4.19	-42.32
CN1C=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644482	1	32	-1.0	-46.41	265.79	4.18	-42.23
COC(=O)CC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644483	0	37	-1.0	-40.90	298.95	3.31	-37.59
COC(=O)CC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644483	1	37	-1.0	-40.92	299.12	3.30	-37.62
CC1=C(C)OC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644484	0	35	-1.0	-41.14	287.19	3.93	-37.21
CC1=C(C)OC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644484	1	35	-1.0	-41.12	287.36	3.92	-37.20
C=CCC(CC=C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644485	0	39	-1.0	-40.04	312.09	5.07	-34.97
C=CCC(CC=C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644485	1	39	-1.0	-40.03	312.25	5.07	-34.96
CCC[C@@H](NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644486	0	40	-1.0	-48.59	312.35	0.23	-48.36
CCC[C@@H](NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644486	1	40	-1.0	-48.57	312.51	0.22	-48.35
CC1=CC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644487	0	36	-1.0	-40.74	295.78	3.18	-37.56
CC1=CC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644487	1	36	-1.0	-40.69	295.95	3.17	-37.52
CCC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644488	0	39	-1.0	-44.13	302.88	4.07	-40.06
CCC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644488	1	39	-1.0	-44.09	303.04	4.07	-40.02
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004644489	0	41	-1.0	-40.46	298.10	4.53	-35.93
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004644489	1	41	-1.0	-40.41	298.27	4.53	-35.88
CC(C)CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644490	0	44	-1.0	-39.88	319.18	5.23	-34.65
CC(C)CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644490	1	44	-1.0	-39.87	319.35	5.23	-34.64
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1F	REAL250004644491	0	35	-1.0	-46.17	291.35	4.85	-41.32
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1F	REAL250004644491	1	35	-1.0	-46.16	291.52	4.84	-41.32
O=C(C(C1CC1)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644492	0	39	-1.0	-40.26	308.57	5.58	-34.68
O=C(C(C1CC1)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644492	1	39	-1.0	-40.26	308.74	5.57	-34.69
CSCCC(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644493	0	36	-1.0	-41.45	300.44	1.81	-39.64
CSCCC(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644493	1	36	-1.0	-41.40	300.60	1.80	-39.60
O=C([C@@H](O)C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644494	0	36	-1.0	-40.33	290.26	2.83	-37.50
O=C([C@@H](O)C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644494	1	36	-1.0	-40.30	290.43	2.83	-37.47
O=C([C@H](O)C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644495	0	36	-1.0	-40.71	290.00	2.77	-37.94
O=C([C@H](O)C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644495	1	36	-1.0	-40.66	290.17	2.77	-37.89
O=C(C1=NNC(=O)[N-]C1=O)N1CCN(C2=NNN=N2)CC1	REAL250004644496	1	31	-1.0	-45.69	267.69	-3.33	-49.02
CC1(C)C[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644497	0	35	-1.0	-40.37	274.29	4.07	-36.30
CC1(C)C[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644497	1	35	-1.0	-40.34	274.46	4.06	-36.28
O=C(C1=NNC=C1[N+](=O)[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL250004644498	0	31	-1.0	-50.01	266.83	2.72	-47.29
O=C(C1=NNC=C1[N+](=O)[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL250004644498	1	31	-1.0	-49.98	266.99	2.71	-47.27
CNC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644499	0	34	-1.0	-43.37	281.48	-1.60	-44.97
CNC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644499	1	34	-1.0	-43.34	281.65	-1.60	-44.94
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644500	0	34	-1.0	-43.03	279.09	3.84	-39.19
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644500	1	34	-1.0	-43.02	279.26	3.83	-39.19
O=C(C1=CC=C2N=CNC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644501	0	34	-1.0	-45.05	283.61	3.81	-41.24
O=C(C1=CC=C2N=CNC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644501	1	34	-1.0	-44.98	283.78	3.80	-41.18
O=C(C1=CC=C2N=CN=C2N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644501	1	34	-1.0	-45.55	289.14	3.07	-42.48
CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644502	0	35	-1.0	-44.68	290.68	4.08	-40.60
CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644502	1	35	-1.0	-44.60	290.84	4.08	-40.52
CCCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004644503	0	43	-1.0	-40.37	311.27	5.02	-35.35
CCCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004644503	1	43	-1.0	-40.36	311.43	5.02	-35.34
CC(C)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004644504	0	37	-1.0	-40.50	303.14	4.18	-36.32
CC(C)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004644504	1	37	-1.0	-40.46	303.30	4.18	-36.28
CCC(C)C(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644505	0	38	-1.0	-40.24	289.00	1.88	-38.36
CCC(C)C(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644505	1	38	-1.0	-40.24	289.17	1.88	-38.36
NC(=O)NC(CO)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644506	0	35	-1.0	-43.89	288.64	-5.67	-49.56
NC(=O)NC(CO)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644506	1	35	-1.0	-43.83	288.81	-5.68	-49.51
O=C(C1CC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644507	0	31	-1.0	-41.92	256.55	2.43	-39.49
O=C(C1CC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644507	1	31	-1.0	-41.88	256.71	2.43	-39.45
CN1CCOCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644508	0	38	-1.0	-40.28	292.92	-0.29	-40.57
CN1CCOCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644508	1	38	-1.0	-40.23	293.09	-0.29	-40.52
CC(C)N1C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644509	0	39	-1.0	-42.27	305.73	4.93	-37.34
CC(C)N1C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644509	1	39	-1.0	-42.25	305.89	4.93	-37.32
CC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004644510	0	40	-1.0	-44.66	311.99	4.31	-40.35
CC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004644510	1	40	-1.0	-44.59	312.16	4.30	-40.29
O=C(C1=CN=C2C=CC=CN12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644511	0	35	-1.0	-46.02	286.11	4.33	-41.69
O=C(C1=CN=C2C=CC=CN12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644511	1	35	-1.0	-45.93	286.28	4.32	-41.61
CCCC(CCC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644512	0	43	-1.0	-40.96	321.92	5.24	-35.72
CCCC(CCC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644512	1	43	-1.0	-40.95	322.09	5.24	-35.71
CC1CC(=O)CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644513	0	40	-1.0	-44.72	309.98	4.13	-40.59
CC1CC(=O)CCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644513	1	40	-1.0	-44.72	310.14	4.12	-40.60
CC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004644514	0	44	-1.0	-39.92	315.78	5.65	-34.27
CC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004644514	1	44	-1.0	-39.88	315.95	5.64	-34.24
CC1=NN=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644515	0	33	-1.0	-42.64	272.59	1.91	-40.73
CC1=NN=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644515	1	33	-1.0	-42.58	272.75	1.90	-40.68
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCSCC1	REAL250004644516	0	37	-1.0	-39.28	290.72	1.38	-37.90
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCSCC1	REAL250004644516	1	37	-1.0	-39.26	290.89	1.37	-37.89
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCO1	REAL250004644517	0	37	-1.0	-41.70	293.68	3.15	-38.55
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCO1	REAL250004644517	1	37	-1.0	-41.66	293.84	3.15	-38.51
CCN1CCOCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644518	0	41	-1.0	-40.58	309.42	0.31	-40.27
CCN1CCOCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644518	1	41	-1.0	-40.51	309.58	0.31	-40.20
COCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644519	0	38	-1.0	-39.16	288.65	1.90	-37.26
COCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644519	1	38	-1.0	-39.13	288.81	1.90	-37.23
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL250004644520	0	42	-1.0	-41.12	315.85	3.25	-37.87
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL250004644520	1	42	-1.0	-41.09	316.01	3.26	-37.83
O=C(CN1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644522	0	38	-1.0	-42.01	294.49	0.06	-41.95
O=C(CN1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644522	1	38	-1.0	-41.94	294.65	0.06	-41.88
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(O)=C1	REAL250004644523	0	36	-1.0	-43.84	295.20	2.67	-41.17
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(O)=C1	REAL250004644523	1	36	-1.0	-43.80	295.37	2.67	-41.13
O=C(C1=CC=C(O)C=C1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644524	0	34	-1.0	-44.78	284.84	-0.83	-45.61
O=C(C1=CC=C(O)C=C1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644524	1	34	-1.0	-44.76	285.01	-0.83	-45.59
O=C(C1=CC(F)=CC=C1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644525	0	33	-1.0	-41.77	280.62	1.63	-40.14
O=C(C1=CC(F)=CC=C1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644525	1	33	-1.0	-41.74	280.79	1.62	-40.12
CSC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644526	0	35	-1.0	-43.56	288.51	3.92	-39.64
CSC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644526	1	35	-1.0	-43.52	288.68	3.92	-39.60
CN1C(=O)C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644527	0	35	-1.0	-41.33	291.28	2.75	-38.58
CN1C(=O)C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644527	1	35	-1.0	-41.29	291.44	2.74	-38.55
NC(=O)NC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644528	0	35	-1.0	-48.27	287.93	-0.99	-49.26
NC(=O)NC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644528	1	35	-1.0	-48.28	288.09	-1.00	-49.28
CN1C=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004644529	0	35	-1.0	-54.95	296.64	3.52	-51.43
CN1C=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004644529	1	35	-1.0	-54.93	296.81	3.51	-51.42
CCC1=CC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644530	0	37	-1.0	-44.60	300.19	3.81	-40.79
CCC1=CC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644530	1	37	-1.0	-44.61	300.36	3.80	-40.81
COCCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644531	0	39	-1.0	-42.31	312.04	2.94	-39.37
COCCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644531	1	39	-1.0	-42.23	312.20	2.94	-39.29
CCCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004644532	0	37	-1.0	-43.94	304.18	2.60	-41.34
CCCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004644532	1	37	-1.0	-43.92	304.35	2.60	-41.32
CC1=CC(F)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644533	0	35	-1.0	-40.12	288.49	4.75	-35.37
CC1=CC(F)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644533	1	35	-1.0	-40.05	288.66	4.75	-35.30
CCC(SC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644534	0	35	-1.0	-42.30	287.15	3.70	-38.60
CCC(SC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644534	1	35	-1.0	-42.28	287.32	3.69	-38.59
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CC=C1	REAL250004644535	0	36	-1.0	-42.83	289.98	4.60	-38.23
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CC=C1	REAL250004644535	1	36	-1.0	-42.81	290.14	4.60	-38.21
CC(=O)CCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644536	0	42	-1.0	-49.44	317.38	3.99	-45.45
CC(=O)CCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644536	1	42	-1.0	-49.40	317.55	3.98	-45.42
CCN(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644537	1	40	-1.0	-41.36	300.48	2.49	-38.87
O=C(C1=CC2=NC=CN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644538	0	35	-1.0	-44.07	294.59	4.82	-39.25
O=C(C1=CC2=NC=CN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644538	1	35	-1.0	-44.03	294.76	4.82	-39.21
CC(=O)C(C)(C)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644539	0	42	-1.0	-48.52	323.68	4.32	-44.20
CC(=O)C(C)(C)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644539	1	42	-1.0	-48.48	323.84	4.32	-44.16
CC1(OCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644540	0	39	-1.0	-43.27	305.21	4.30	-38.97
CC1(OCC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644540	1	39	-1.0	-43.29	305.37	4.29	-39.00
O=C(C1CCCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644541	0	36	-1.0	-42.90	277.39	3.24	-39.66
O=C(C1CCCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644541	1	36	-1.0	-42.87	277.56	3.25	-39.62
NC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644542	0	33	-1.0	-40.69	283.00	-0.79	-41.48
NC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644542	1	33	-1.0	-40.64	283.17	-0.79	-41.43
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644543	0	36	-1.0	-41.74	276.16	4.33	-37.41
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644543	1	36	-1.0	-41.75	276.33	4.34	-37.41
CC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004644544	0	33	-1.0	-44.00	276.65	-0.21	-44.21
CC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004644544	1	33	-1.0	-43.98	276.82	-0.21	-44.19
CCC(C)OCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644545	0	38	-1.0	-43.33	303.59	4.01	-39.32
CCC(C)OCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644545	1	38	-1.0	-43.27	303.76	4.02	-39.25
CC(C)C(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644546	0	38	-1.0	-43.77	296.85	1.79	-41.98
CC(C)C(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644546	1	38	-1.0	-43.69	297.02	1.79	-41.90
O=C(CC1COC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644548	0	35	-1.0	-45.28	284.52	3.24	-42.04
O=C(CC1COC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644548	1	35	-1.0	-45.24	284.69	3.24	-42.00
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004644549	0	33	-1.0	-41.07	274.14	3.59	-37.48
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004644549	1	33	-1.0	-41.06	274.31	3.59	-37.47
O=C(CC1=CC=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644551	0	32	-1.0	-44.24	268.77	3.26	-40.98
O=C(CC1=CC=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644551	1	32	-1.0	-44.19	268.93	3.25	-40.94
O=C(C1=CC2=C(C=CO2)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644552	0	33	-1.0	-43.25	274.33	2.63	-40.62
O=C(C1=CC2=C(C=CO2)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644552	1	33	-1.0	-43.22	274.50	2.62	-40.60
O=C(C1=CC2=CN=CN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644553	0	35	-1.0	-43.31	295.24	5.69	-37.62
O=C(C1=CC2=CN=CN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644553	1	35	-1.0	-43.41	295.07	5.70	-37.71
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)S1	REAL250004644554	0	34	-1.0	-42.83	286.44	3.42	-39.41
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)S1	REAL250004644554	1	34	-1.0	-42.76	286.61	3.41	-39.35
CC1(C)CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644555	0	35	-1.0	-40.40	274.60	4.08	-36.32
CC1(C)CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644555	1	35	-1.0	-40.32	274.76	4.08	-36.24
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=N1	REAL250004644556	0	34	-1.0	-40.88	288.50	2.57	-38.31
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC=N1	REAL250004644556	1	34	-1.0	-40.83	288.67	2.57	-38.26
N#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644557	0	31	-1.0	-40.64	268.60	2.70	-37.94
N#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644557	1	31	-1.0	-40.59	268.76	2.69	-37.90
O=C(C1=C2NC=NC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644558	0	35	-1.0	-44.44	289.99	3.74	-40.70
O=C(C1=C2NC=NC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644558	1	35	-1.0	-44.40	290.15	3.74	-40.66
CCOC=C(C#N)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644559	0	34	-1.0	-42.12	294.01	2.52	-39.60
CCOC=C(C#N)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644559	1	34	-1.0	-42.08	294.18	2.51	-39.57
O=C(CCCN1C=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644560	0	39	-1.0	-45.34	316.66	5.79	-39.55
O=C(CCCN1C=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644560	1	39	-1.0	-45.27	316.83	5.79	-39.48
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(CC1)C2	REAL250004644561	0	39	-1.0	-40.01	285.89	4.50	-35.51
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(CC1)C2	REAL250004644561	1	39	-1.0	-39.96	286.05	4.49	-35.47
O=C(COCC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644562	0	32	-1.0	-46.81	282.11	2.92	-43.89
O=C(COCC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644562	1	32	-1.0	-46.76	282.28	2.92	-43.84
CCC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004644564	0	34	-1.0	-41.67	282.86	1.45	-40.22
CCC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004644564	1	34	-1.0	-41.70	283.03	1.44	-40.26
CC1=CC=NC=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644565	0	38	-1.0	-42.91	309.54	4.36	-38.55
CC1=CC=NC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644565	1	38	-1.0	-42.84	309.70	4.35	-38.49
COC(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644566	0	37	-1.0	-48.57	304.92	3.70	-44.87
COC(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644566	1	37	-1.0	-48.51	305.09	3.70	-44.81
O=C(C1=CC=C(F)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644567	0	31	-1.0	-40.65	264.05	3.27	-37.38
O=C(C1=CC=C(F)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644567	1	31	-1.0	-40.62	264.22	3.26	-37.36
O=C(C1=CC=NC(C2CC2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644568	0	38	-1.0	-41.58	307.24	4.31	-37.27
O=C(C1=CC=NC(C2CC2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644568	1	38	-1.0	-41.60	307.41	4.32	-37.28
CCC(C)=C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644569	0	38	-1.0	-41.13	299.66	4.40	-36.73
CCC(C)=C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644569	1	38	-1.0	-41.08	299.83	4.41	-36.67
CC1=NSC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644570	0	31	-1.0	-40.54	266.77	2.43	-38.11
CC1=NSC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644570	1	31	-1.0	-40.52	266.94	2.42	-38.10
O=C(C1CCCCS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644571	0	36	-1.0	-42.31	289.81	4.37	-37.94
O=C(C1CCCCS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644571	1	36	-1.0	-42.31	289.98	4.37	-37.94
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)COC1	REAL250004644572	0	33	-1.0	-39.87	259.47	0.85	-39.02
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)COC1	REAL250004644572	1	33	-1.0	-39.84	259.64	0.85	-38.99
O=C(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)NC1CC1	REAL250004644573	0	36	-1.0	-51.47	295.70	2.87	-48.60
O=C(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)NC1CC1	REAL250004644573	1	36	-1.0	-51.43	295.86	2.86	-48.57
C#CCNC(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644574	0	34	-1.0	-51.03	291.30	2.49	-48.54
C#CCNC(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644574	1	34	-1.0	-50.94	291.47	2.49	-48.45
CC1CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644575	0	38	-1.0	-40.70	285.84	4.38	-36.32
CC1CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644575	1	38	-1.0	-40.65	286.00	4.37	-36.28
CC1OCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644576	0	36	-1.0	-40.22	279.26	1.98	-38.24
CC1OCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644576	1	36	-1.0	-40.15	279.43	1.98	-38.17
CCC(C)CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644577	0	46	-1.0	-40.81	349.75	6.39	-34.42
CCC(C)CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644577	1	46	-1.0	-40.80	349.92	6.39	-34.41
COCCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644578	0	39	-1.0	-45.70	317.71	2.34	-43.36
COCCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644578	1	39	-1.0	-45.68	317.88	2.34	-43.34
CCCCCC(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644579	0	46	-1.0	-40.81	343.42	6.04	-34.77
CCCCCC(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644579	1	46	-1.0	-40.76	343.58	6.04	-34.72
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004644580	0	42	-1.0	-40.26	299.93	2.58	-37.68
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004644580	1	42	-1.0	-40.24	300.09	2.58	-37.66
O=C(C1=NN(C(F)F)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644581	0	32	-1.0	-41.76	279.11	2.68	-39.08
O=C(C1=NN(C(F)F)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644581	1	32	-1.0	-41.73	279.27	2.67	-39.06
O=C(C1CCC=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644582	0	34	-1.0	-42.45	269.13	3.53	-38.92
O=C(C1CCC=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644582	1	34	-1.0	-42.40	269.28	3.53	-38.87
CC(C)(C)OCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644583	0	38	-1.0	-43.14	296.83	3.61	-39.53
CC(C)(C)OCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644583	1	38	-1.0	-43.11	297.00	3.61	-39.50
N#CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004644584	0	31	-1.0	-46.38	269.28	2.21	-44.17
N#CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004644584	1	31	-1.0	-46.34	269.44	2.21	-44.13
COCCCC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644585	0	41	-1.0	-41.37	320.83	3.13	-38.24
COCCCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644585	1	41	-1.0	-41.34	321.00	3.12	-38.22
CCC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644586	0	37	-1.0	-42.90	300.94	4.56	-38.34
CCC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644586	1	37	-1.0	-42.85	301.11	4.56	-38.29
O=C(C=C1CCSCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644587	0	37	-1.0	-40.74	297.71	4.77	-35.97
O=C(C=C1CCSCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644587	1	37	-1.0	-40.73	297.88	4.76	-35.97
CCCC(CCC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644588	0	46	-1.0	-40.45	341.50	6.19	-34.26
CCCC(CCC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644588	1	46	-1.0	-40.40	341.66	6.19	-34.21
O=C(CCCC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644589	0	34	-1.0	-44.07	289.09	4.05	-40.02
O=C(CCCC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644589	1	34	-1.0	-44.04	289.26	4.06	-39.98
CCCC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CCC	REAL250004644590	0	44	-1.0	-40.00	338.67	6.46	-33.54
CCCC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CCC	REAL250004644590	1	44	-1.0	-39.98	338.84	6.45	-33.53
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1O	REAL250004644591	0	36	-1.0	-42.67	293.86	1.98	-40.69
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1O	REAL250004644591	1	36	-1.0	-42.64	294.03	1.97	-40.67
O=C(C1=CC=C2C=CNC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644592	0	35	-1.0	-44.81	288.86	4.24	-40.57
O=C(C1=CC=C2C=CNC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644592	1	35	-1.0	-44.79	289.03	4.23	-40.56
CSC(C)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644593	0	38	-1.0	-40.59	310.43	4.67	-35.92
CSC(C)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644593	1	38	-1.0	-40.53	310.60	4.67	-35.86
C#CCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644594	0	36	-1.0	-41.99	298.24	4.97	-37.02
C#CCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644594	1	36	-1.0	-41.92	298.41	4.97	-36.95
O=C(C1=CC=C2C=CC=NN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644595	0	35	-1.0	-47.08	290.15	4.29	-42.79
O=C(C1=CC=C2C=CC=NN21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644595	1	35	-1.0	-47.06	290.31	4.28	-42.78
O=C(C1=CC=C(O)C=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644596	0	33	-1.0	-45.86	282.04	1.36	-44.50
O=C(C1=CC=C(O)C=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644596	1	33	-1.0	-45.82	282.20	1.35	-44.47
COCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644597	0	36	-1.0	-41.90	285.21	2.88	-39.02
COCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644597	1	36	-1.0	-41.84	285.38	2.87	-38.97
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004644598	0	36	-1.0	-40.00	293.06	2.59	-37.41
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004644598	1	36	-1.0	-39.95	293.23	2.59	-37.36
CCC1=NN(C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644599	0	38	-1.0	-44.92	307.70	3.16	-41.76
CCC1=NN(C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644599	1	38	-1.0	-44.89	307.86	3.15	-41.74
O=C(C1=CC2=C(CCC2)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644600	0	37	-1.0	-42.46	292.86	4.25	-38.21
O=C(C1=CC2=C(CCC2)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644600	1	37	-1.0	-42.45	293.03	4.25	-38.20
CC(Cl)(Cl)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644601	0	28	-1.0	-37.06	253.75	2.85	-34.21
CC(Cl)(Cl)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644601	1	28	-1.0	-37.02	253.92	2.85	-34.17
COCC(=O)N(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644602	0	39	-1.0	-54.06	318.62	2.32	-51.74
COCC(=O)N(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644602	1	39	-1.0	-54.04	318.79	2.32	-51.72
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCSC1	REAL250004644603	0	34	-1.0	-39.58	272.05	0.69	-38.89
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCSC1	REAL250004644603	1	34	-1.0	-39.51	272.22	0.68	-38.83
O=C(C1SCCS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644604	0	31	-1.0	-41.86	270.01	3.63	-38.23
O=C(C1SCCS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644604	1	31	-1.0	-41.82	270.17	3.62	-38.20
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)N=N1	REAL250004644605	0	36	-1.0	-42.23	293.92	2.47	-39.76
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N=N1	REAL250004644605	1	36	-1.0	-42.17	294.08	2.46	-39.71
CCOC(=O)C(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644606	0	40	-1.0	-46.20	311.33	4.67	-41.53
CCOC(=O)C(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644606	1	40	-1.0	-46.16	311.50	4.67	-41.49
O=C(C1=CNC2=NC=NC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644607	0	34	-1.0	-46.97	283.29	2.92	-44.05
O=C(C1=CNC2=NC=NC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644607	1	34	-1.0	-46.88	283.45	2.91	-43.97
CC1=CN=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644608	0	34	-1.0	-45.22	294.72	3.04	-42.18
CC1=CN=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644608	1	34	-1.0	-45.17	294.88	3.03	-42.14
CC1(C)CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644609	0	44	-1.0	-40.32	323.19	5.43	-34.89
CC1(C)CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644609	1	44	-1.0	-40.27	323.36	5.42	-34.85
O=C(C1=CC=CC(F)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644610	0	31	-1.0	-42.81	264.39	3.08	-39.73
O=C(C1=CC=CC(F)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644610	1	31	-1.0	-42.75	264.55	3.09	-39.66
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL250004644611	0	35	-1.0	-44.69	294.05	1.78	-42.91
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(=O)N1	REAL250004644611	1	35	-1.0	-44.61	294.22	1.77	-42.84
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=NC=N1	REAL250004644612	0	34	-1.0	-46.67	279.01	3.98	-42.69
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=NC=N1	REAL250004644612	1	34	-1.0	-46.66	279.18	3.97	-42.69
O=C([C@@H]1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644613	0	33	-1.0	-43.55	260.36	2.50	-41.05
O=C([C@@H]1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644613	1	33	-1.0	-43.54	260.52	2.50	-41.04
O=C([C@H]1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644614	0	33	-1.0	-44.12	261.00	2.52	-41.60
O=C([C@H]1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644614	1	33	-1.0	-44.09	261.16	2.52	-41.57
COC(=O)N[C@@H](C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644615	0	36	-1.0	-40.19	296.13	-0.14	-40.33
COC(=O)N[C@@H](C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644615	1	36	-1.0	-40.12	296.30	-0.15	-40.27
N#CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004644616	0	36	-1.0	-49.08	305.10	5.25	-43.83
N#CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004644616	1	36	-1.0	-49.04	305.26	5.24	-43.80
C#CCOCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644617	0	34	-1.0	-41.88	289.27	2.71	-39.17
C#CCOCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644617	1	34	-1.0	-41.84	289.44	2.71	-39.13
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004644618	0	44	-1.0	-39.96	312.61	5.01	-34.95
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004644618	1	44	-1.0	-39.89	312.78	5.01	-34.88
C=C(C)C(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)OCC	REAL250004644619	0	42	-1.0	-41.29	335.09	4.84	-36.45
C=C(C)C(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)OCC	REAL250004644619	1	42	-1.0	-41.26	335.26	4.84	-36.42
CC(O)(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644620	0	39	-1.0	-43.14	300.04	2.54	-40.60
CC(O)(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644620	1	39	-1.0	-43.11	300.21	2.54	-40.57
CCC(CC)C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644621	0	43	-1.0	-40.63	315.32	4.92	-35.71
CCC(CC)C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644621	1	43	-1.0	-40.61	315.48	4.91	-35.70
CC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL250004644622	0	39	-1.0	-41.39	300.88	2.90	-38.49
CC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCO1	REAL250004644622	1	39	-1.0	-41.31	301.04	2.91	-38.40
CC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644623	0	38	-1.0	-40.39	288.39	4.43	-35.96
CC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644623	1	38	-1.0	-40.36	288.56	4.43	-35.93
O=C(C1=CC=C(O)C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644624	0	33	-1.0	-43.81	280.09	1.31	-42.50
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004644625	0	44	-1.0	-40.31	308.18	4.93	-35.38
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004644625	1	44	-1.0	-40.29	308.35	4.92	-35.37
O=C(C1=CN=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644626	0	30	-1.0	-40.43	252.38	2.02	-38.41
O=C(C1=CN=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644626	1	30	-1.0	-40.45	252.55	2.01	-38.44
O=C(C1=NC=CC=C1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644627	0	32	-1.0	-44.66	268.88	1.26	-43.40
O=C(C1=NC=CC=C1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644627	1	32	-1.0	-44.57	269.05	1.25	-43.32
O=C(C1CC12CCOC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644628	0	37	-1.0	-41.24	291.26	2.79	-38.45
O=C(C1CC12CCOC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644628	1	37	-1.0	-41.23	291.43	2.79	-38.44
CN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1N	REAL250004644629	0	34	-1.0	-43.08	279.78	0.73	-42.35
CN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1N	REAL250004644629	1	34	-1.0	-43.00	279.94	0.73	-42.27
CCCC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004644630	0	37	-1.0	-41.39	304.00	2.19	-39.20
CCCC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004644630	1	37	-1.0	-41.34	304.17	2.19	-39.15
O=C(C1=CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644631	0	34	-1.0	-41.62	275.03	2.06	-39.56
O=C(C1=CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644631	1	34	-1.0	-41.57	275.20	2.05	-39.52
O=C(C1=COC(C2CC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644632	0	35	-1.0	-41.81	292.47	2.24	-39.57
O=C(C1=COC(C2CC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644632	1	35	-1.0	-41.75	292.64	2.24	-39.51
CCC(C)(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644633	0	40	-1.0	-40.73	288.49	3.76	-36.97
CCC(C)(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644633	1	40	-1.0	-40.64	288.66	3.76	-36.88
O=C(C1=CSC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644634	0	29	-1.0	-41.45	263.66	-0.05	-41.50
O=C(C1=CSC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644634	1	29	-1.0	-41.46	263.83	-0.05	-41.51
CC(C)(O)C(F)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644635	0	35	-1.0	-38.78	281.98	1.38	-37.40
CC(C)(O)C(F)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644635	1	35	-1.0	-38.68	282.14	1.38	-37.30
CC1=CN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(O)=C1	REAL250004644636	0	35	-1.0	-43.98	290.32	1.90	-42.08
CC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(O)=C1	REAL250004644636	1	35	-1.0	-43.91	290.49	1.89	-42.02
COC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644637	0	35	-1.0	-40.38	289.29	3.29	-37.09
COC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644637	1	35	-1.0	-40.33	289.46	3.30	-37.03
CC#CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644638	0	36	-1.0	-44.46	298.61	5.17	-39.29
CC#CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644638	1	36	-1.0	-44.41	298.78	5.16	-39.25
C#CCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644639	0	36	-1.0	-40.05	281.64	3.90	-36.15
C#CCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644639	1	36	-1.0	-40.03	281.80	3.89	-36.14
O=C(C1=C2C=CC=NN2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644640	0	34	-1.0	-48.72	287.09	2.13	-46.59
O=C(C1=C2C=CC=NN2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644640	1	34	-1.0	-48.67	287.26	2.12	-46.55
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOC1	REAL250004644641	0	36	-1.0	-43.60	271.64	1.48	-42.12
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOC1	REAL250004644641	1	36	-1.0	-43.54	271.80	1.48	-42.06
CC(CCC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644642	0	46	-1.0	-40.52	342.39	5.74	-34.78
CC(CCC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644642	1	46	-1.0	-40.45	342.56	5.74	-34.71
COCCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644643	0	41	-1.0	-42.78	306.35	2.38	-40.40
COCCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644643	1	41	-1.0	-42.75	306.52	2.37	-40.38
O=C(C1C=CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644644	0	36	-1.0	-40.33	280.60	4.44	-35.89
O=C(C1C=CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644644	1	36	-1.0	-40.27	280.77	4.44	-35.83
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644645	0	36	-1.0	-38.86	281.06	2.35	-36.51
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644645	1	36	-1.0	-38.83	281.22	2.35	-36.48
COC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644646	0	32	-1.0	-38.47	271.83	-0.39	-38.86
COC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644646	1	32	-1.0	-38.41	272.00	-0.39	-38.80
CCOC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004644647	0	35	-1.0	-42.00	294.16	0.30	-41.70
CCOC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004644647	1	35	-1.0	-41.95	294.33	0.29	-41.66
NC(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004644648	0	33	-1.0	-44.22	281.72	-1.08	-45.30
NC(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004644648	1	33	-1.0	-44.20	281.89	-1.09	-45.29
O=C(CC1=CC=CC(O)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644649	0	36	-1.0	-44.55	299.05	2.27	-42.28
O=C(CC1=CC=CC(O)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644649	1	36	-1.0	-44.53	299.21	2.27	-42.26
O=C(C1=CC=CC2=NNN=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644650	0	34	-1.0	-49.69	284.71	1.42	-48.27
O=C(C1=CC=CC2=NNN=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644650	1	34	-1.0	-49.70	284.88	1.41	-48.29
CCNC(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644651	0	35	-1.0	-51.59	285.53	1.99	-49.60
CCNC(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644651	1	35	-1.0	-51.57	285.70	1.99	-49.58
CNC(=O)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644652	0	38	-1.0	-51.92	309.07	1.22	-50.70
CNC(=O)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644652	1	38	-1.0	-51.86	309.24	1.22	-50.64
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCCC1	REAL250004644653	0	44	-1.0	-38.97	292.25	4.86	-34.11
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCCC1	REAL250004644653	1	44	-1.0	-38.96	292.42	4.85	-34.11
CCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C	REAL250004644654	0	38	-1.0	-44.51	307.14	3.69	-40.82
CCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C	REAL250004644654	1	38	-1.0	-44.50	307.31	3.69	-40.81
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCOC1	REAL250004644655	0	39	-1.0	-41.52	284.57	2.20	-39.32
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCOC1	REAL250004644655	1	39	-1.0	-41.48	284.73	2.21	-39.27
C#CCCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644656	0	39	-1.0	-43.15	319.74	5.75	-37.40
C#CCCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644656	1	39	-1.0	-43.11	319.90	5.75	-37.36
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCC1	REAL250004644657	0	33	-1.0	-39.03	259.60	0.36	-38.67
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCC1	REAL250004644657	1	33	-1.0	-38.96	259.76	0.36	-38.60
CC1CC(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644658	0	44	-1.0	-40.27	330.38	5.74	-34.53
CC1CC(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644658	1	44	-1.0	-40.23	330.54	5.74	-34.49
CC1(C)CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644659	0	41	-1.0	-40.19	308.38	4.94	-35.25
CC1(C)CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644659	1	41	-1.0	-40.17	308.55	4.94	-35.23
CCCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644660	0	38	-1.0	-43.03	308.24	3.43	-39.60
CCCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644660	1	38	-1.0	-43.01	308.41	3.42	-39.59
COC(C)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644661	0	38	-1.0	-40.94	302.67	2.73	-38.21
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CN1C=NC=C1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644719	0	38	-1.0	-43.75	309.96	5.06	-38.69
CN1C=NC=C1CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644719	1	38	-1.0	-43.66	310.13	5.05	-38.61
CC(C)C(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644720	0	34	-1.0	-40.47	268.81	3.48	-36.99
CC(C)C(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644720	1	34	-1.0	-40.48	268.98	3.48	-37.00
CC1OC(=O)NC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644721	0	34	-1.0	-47.79	273.96	-0.49	-48.28
CC1OC(=O)NC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644721	1	34	-1.0	-47.75	274.12	-0.50	-48.25
CC(C)(CO)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644722	0	35	-1.0	-40.19	267.49	-0.39	-40.58
CC(C)(CO)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644722	1	35	-1.0	-40.12	267.66	-0.40	-40.52
CCN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644723	0	35	-1.0	-41.09	282.69	2.71	-38.38
CCN1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644723	1	35	-1.0	-41.07	282.86	2.70	-38.37
O=C(C1=CCCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644724	0	39	-1.0	-41.29	288.89	4.67	-36.62
O=C(C1=CCCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644724	1	39	-1.0	-41.24	289.06	4.67	-36.57
O=C(C1=C(O)C=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644725	1	33	-1.0	-45.42	284.56	1.51	-43.91
CC1=CN=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644726	0	37	-1.0	-44.04	304.28	3.96	-40.08
CC1=CN=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644726	1	37	-1.0	-43.96	304.45	3.96	-40.00
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N(C)C=C1	REAL250004644727	0	36	-1.0	-42.60	295.68	4.28	-38.32
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N(C)C=C1	REAL250004644727	1	36	-1.0	-42.54	295.84	4.27	-38.27
CC(C)C(C)(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644728	0	38	-1.0	-39.18	282.14	0.83	-38.35
CC(C)C(C)(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644728	1	38	-1.0	-39.19	282.30	0.82	-38.37
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004644729	0	38	-1.0	-41.53	295.64	3.35	-38.18
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004644729	1	38	-1.0	-41.44	295.80	3.34	-38.10
CN1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004644730	0	36	-1.0	-43.11	289.97	1.91	-41.20
CN1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004644730	1	36	-1.0	-43.05	290.13	1.91	-41.14
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004644731	0	42	-1.0	-38.71	303.20	3.48	-35.23
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004644731	1	42	-1.0	-38.69	303.36	3.49	-35.20
CC1(C)CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644732	0	41	-1.0	-40.26	301.59	5.25	-35.01
CC1(C)CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644732	1	41	-1.0	-40.26	301.75	5.24	-35.02
CCOC1CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644733	0	42	-1.0	-43.96	331.03	4.16	-39.80
CCOC1CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644733	1	42	-1.0	-43.94	331.20	4.15	-39.79
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCOCC1	REAL250004644734	0	37	-1.0	-40.67	284.16	-0.82	-41.49
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCOCC1	REAL250004644734	1	37	-1.0	-40.62	284.33	-0.83	-41.45
CN1C=NC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644735	0	35	-1.0	-47.99	288.58	4.23	-43.76
CN1C=NC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644735	1	35	-1.0	-47.98	288.74	4.22	-43.76
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CNC(=O)C1	REAL250004644736	0	36	-1.0	-48.57	277.29	-0.29	-48.86
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CNC(=O)C1	REAL250004644736	1	36	-1.0	-48.53	277.46	-0.29	-48.82
CC(C)(O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644737	0	38	-1.0	-41.02	297.84	0.90	-40.12
CC(C)(O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644737	1	38	-1.0	-40.97	298.00	0.90	-40.07
CN1N=CC=C1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644738	0	38	-1.0	-43.02	309.63	3.45	-39.57
CN1N=CC=C1CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644738	1	38	-1.0	-42.97	309.79	3.45	-39.52
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCCC1	REAL250004644739	0	35	-1.0	-39.76	272.85	3.85	-35.91
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCCC1	REAL250004644739	1	35	-1.0	-39.72	273.02	3.84	-35.88
O=C(C1=CC=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644740	0	30	-1.0	-41.43	252.45	2.97	-38.46
O=C(C1=CC=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644740	1	30	-1.0	-41.38	252.62	2.99	-38.39
N#CC1=CC(O)=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644741	0	34	-1.0	-44.05	294.62	1.59	-42.46
N#CC1=CC(O)=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644741	1	34	-1.0	-44.00	294.79	1.59	-42.41
CC1=CN=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644742	0	37	-1.0	-43.59	300.07	3.83	-39.76
CC1=CN=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644742	1	37	-1.0	-43.57	300.24	3.82	-39.75
O=C(CC1C=CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644743	0	39	-1.0	-41.89	300.18	5.27	-36.62
O=C(CC1C=CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644743	1	39	-1.0	-41.86	300.34	5.27	-36.59
CC1CCCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644744	0	41	-1.0	-40.65	305.60	5.19	-35.46
CC1CCCC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644744	1	41	-1.0	-40.60	305.77	5.18	-35.42
CN1C(=O)CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644745	0	36	-1.0	-47.61	291.17	2.36	-45.25
CN1C(=O)CCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644745	1	36	-1.0	-47.56	291.35	2.36	-45.20
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004644746	0	31	-1.0	-42.17	261.34	0.68	-41.49
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004644746	1	31	-1.0	-42.17	261.51	0.68	-41.49
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004644747	0	38	-1.0	-41.05	300.76	5.44	-35.61
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004644747	1	38	-1.0	-41.02	300.93	5.43	-35.59
C[C@H](NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644748	0	34	-1.0	-41.67	278.23	-2.37	-44.04
C[C@H](NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644748	1	34	-1.0	-41.63	278.40	-2.38	-44.01
CC(=O)OC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644749	0	37	-1.0	-40.11	290.23	3.27	-36.84
CC(=O)OC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644749	1	37	-1.0	-40.02	290.40	3.27	-36.75
O=C(C1=CSC(Cl)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644750	0	28	-1.0	-41.56	264.39	2.42	-39.14
O=C(C1=CSC(Cl)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644750	1	28	-1.0	-41.53	264.55	2.42	-39.11
CC1=CC(C)=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644751	0	37	-1.0	-43.18	300.74	4.44	-38.74
CC1=CC(C)=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644751	1	37	-1.0	-43.13	300.91	4.43	-38.70
O=C(C1CCC(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644752	0	35	-1.0	-41.22	276.79	4.01	-37.21
O=C(C1CCC(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644752	1	35	-1.0	-41.16	276.96	4.01	-37.15
CN1C=C(C(O)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644753	0	36	-1.0	-44.66	294.52	0.43	-44.23
CN1C=C(C(O)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644753	1	36	-1.0	-44.62	294.68	0.43	-44.19
O=C(C1=CC(C2CC2)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644754	0	35	-1.0	-39.10	290.97	3.69	-35.41
O=C(C1=CC(C2CC2)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644754	1	35	-1.0	-39.09	291.13	3.69	-35.40
O=C([C@H]1CCCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644755	0	36	-1.0	-46.96	284.78	0.80	-46.16
O=C([C@H]1CCCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644755	1	36	-1.0	-46.90	284.95	0.79	-46.11
CC1=C(C#N)C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644756	0	36	-1.0	-44.45	299.82	4.96	-39.49
CC1=C(C#N)C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644756	1	36	-1.0	-44.42	299.99	4.95	-39.47
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCC1	REAL250004644757	0	32	-1.0	-37.93	258.26	3.31	-34.62
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCC1	REAL250004644757	1	32	-1.0	-37.86	258.41	3.32	-34.54
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C#N	REAL250004644758	0	36	-1.0	-44.95	302.86	4.96	-39.99
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C#N	REAL250004644758	1	36	-1.0	-44.94	303.03	4.95	-39.99
CCOCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644759	0	39	-1.0	-43.15	311.16	3.30	-39.85
CCOCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644759	1	39	-1.0	-43.11	311.32	3.29	-39.82
CC1CC(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644760	0	39	-1.0	-42.14	295.50	3.57	-38.57
CC1CC(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644760	1	39	-1.0	-42.04	295.67	3.56	-38.48
O=C(COC1=CSC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644761	0	33	-1.0	-43.66	287.71	3.99	-39.67
O=C(COC1=CSC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644761	1	33	-1.0	-43.65	287.88	3.99	-39.66
CCC1CCCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644762	0	44	-1.0	-40.68	325.56	5.65	-35.03
CCC1CCCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644762	1	44	-1.0	-40.63	325.73	5.64	-34.99
CC1CCC(O)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644763	0	42	-1.0	-39.63	308.14	1.91	-37.72
CC1CCC(O)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644763	1	42	-1.0	-39.58	308.30	1.90	-37.68
O=C(C1=CON=C1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644764	0	35	-1.0	-42.71	293.15	3.92	-38.79
O=C(C1=CON=C1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644764	1	35	-1.0	-42.69	293.32	3.91	-38.78
CCCC(C)(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644765	0	43	-1.0	-41.12	309.67	4.55	-36.57
CCCC(C)(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644765	1	43	-1.0	-41.07	309.84	4.55	-36.52
O=C(C1=CC=C(F)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644766	0	31	-1.0	-40.65	264.05	3.27	-37.38
O=C(C1=CC=C(F)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644766	1	31	-1.0	-40.62	264.22	3.26	-37.36
CSCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644767	0	38	-1.0	-38.89	297.04	3.82	-35.07
CSCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644767	1	38	-1.0	-38.87	297.20	3.81	-35.06
O=C(C=CC1=CN=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644768	0	32	-1.0	-42.39	282.15	2.87	-39.52
O=C(C=CC1=CN=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644768	1	32	-1.0	-42.33	282.31	2.86	-39.47
O=C([C@H]1C[C@@H]1C(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644769	0	32	-1.0	-45.04	272.21	3.81	-41.23
O=C([C@H]1C[C@@H]1C(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644769	1	32	-1.0	-44.98	272.38	3.80	-41.18
CCCCC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644770	0	40	-1.0	-40.61	308.66	4.84	-35.77
CCCCC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644770	1	40	-1.0	-40.58	308.83	4.83	-35.75
CC(CC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644771	0	35	-1.0	-41.93	280.28	-0.60	-42.53
CC(CC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644771	1	35	-1.0	-41.89	280.45	-0.60	-42.49
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(C=O)N1	REAL250004644772	0	35	-1.0	-44.53	292.83	2.15	-42.38
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(C=O)N1	REAL250004644772	1	35	-1.0	-44.47	293.00	2.15	-42.32
CN1N=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644773	0	31	-1.0	-40.73	255.09	0.40	-40.33
CN1N=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644773	1	31	-1.0	-40.62	255.25	0.39	-40.23
O=C(C1CCCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644774	0	39	-1.0	-41.21	293.62	2.72	-38.49
O=C(C1CCCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644774	1	39	-1.0	-41.18	293.79	2.72	-38.46
COC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644775	0	38	-1.0	-42.47	290.35	3.34	-39.13
COC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644775	1	38	-1.0	-42.42	290.52	3.35	-39.07
CNC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004644776	0	36	-1.0	-43.21	293.24	1.99	-41.22
CNC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004644776	1	36	-1.0	-43.18	293.41	1.98	-41.20
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)NC=N1	REAL250004644778	0	35	-1.0	-47.32	288.39	3.19	-44.13
CC1=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)NC=N1	REAL250004644778	1	35	-1.0	-47.25	288.56	3.18	-44.07
O=C(C1=NC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644779	0	28	-1.0	-41.38	248.33	2.08	-39.30
O=C(C1=NC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644779	1	28	-1.0	-41.38	248.50	2.07	-39.31
CC1=C(C)SC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644780	0	34	-1.0	-41.53	290.14	3.41	-38.12
CC1=C(C)SC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644780	1	34	-1.0	-41.53	290.31	3.40	-38.13
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(C#N)O1	REAL250004644781	0	33	-1.0	-39.98	285.80	3.50	-36.48
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(C#N)O1	REAL250004644781	1	33	-1.0	-39.92	285.96	3.50	-36.42
CC(C)(C#N)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644782	0	35	-1.0	-40.29	280.45	3.62	-36.67
CC(C)(C#N)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644782	1	35	-1.0	-40.25	280.62	3.62	-36.63
CCC(C)(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644783	0	38	-1.0	-43.06	283.05	2.73	-40.33
CCC(C)(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644783	1	38	-1.0	-43.03	283.22	2.73	-40.30
O=C(C1CCC(F)(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644784	0	35	-1.0	-40.01	283.35	4.11	-35.90
O=C(C1CCC(F)(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644784	1	35	-1.0	-39.97	283.52	4.10	-35.87
CC1(C)CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644785	0	39	-1.0	-43.24	301.74	3.89	-39.35
CC1(C)CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644785	1	39	-1.0	-43.19	301.91	3.88	-39.31
CCN1C=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644786	0	35	-1.0	-43.42	282.38	4.27	-39.15
CCN1C=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644786	1	35	-1.0	-43.39	282.55	4.26	-39.13
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC=C1	REAL250004644787	0	33	-1.0	-42.66	267.39	3.03	-39.63
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC=C1	REAL250004644787	1	33	-1.0	-42.65	267.56	3.03	-39.62
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CO1	REAL250004644788	0	35	-1.0	-41.37	286.93	3.75	-37.62
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CO1	REAL250004644788	1	35	-1.0	-41.36	287.09	3.75	-37.61
C#CC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644789	0	33	-1.0	-41.95	284.82	3.38	-38.57
C#CC1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644789	1	33	-1.0	-41.92	284.99	3.38	-38.54
O=C(C1=CC=CN=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644790	0	31	-1.0	-48.06	264.36	2.27	-45.79
O=C(C1=CC=CN=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644790	1	31	-1.0	-48.04	264.53	2.27	-45.77
O=C(C1=CN=CC(O)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644791	0	32	-1.0	-42.21	268.55	-0.67	-42.88
O=C(C1=CN=CC(O)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644791	1	32	-1.0	-42.19	268.72	-0.67	-42.86
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004644792	0	34	-1.0	-41.52	279.20	2.92	-38.60
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004644792	1	34	-1.0	-41.48	279.37	2.91	-38.57
O=C(CCC1=NC=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644793	0	35	-1.0	-44.50	288.79	2.61	-41.89
O=C(CCC1=NC=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644793	1	35	-1.0	-44.49	288.96	2.61	-41.88
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=N1	REAL250004644794	0	37	-1.0	-44.72	296.19	3.51	-41.21
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=N1	REAL250004644794	1	37	-1.0	-44.65	296.36	3.50	-41.15
O=C(C1=C2NC=CC=C2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644795	0	35	-1.0	-55.37	294.45	2.48	-52.89
O=C(C1=C2NC=CC=C2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644795	1	35	-1.0	-55.35	294.62	2.47	-52.88
O=C(C1CCC(O)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644796	0	39	-1.0	-43.67	298.25	1.35	-42.32
O=C(C1CCC(O)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644796	1	39	-1.0	-43.64	298.41	1.34	-42.30
O=C(C1=CC=CC(CO)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644797	0	36	-1.0	-44.83	295.68	1.39	-43.44
O=C(C1=CC=CC(CO)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644797	1	36	-1.0	-44.81	295.84	1.39	-43.42
O=C(C1=CN=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644798	0	28	-1.0	-41.08	248.19	1.24	-39.84
O=C(C1=CN=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644798	1	28	-1.0	-41.04	248.36	1.24	-39.80
O=C(CC1CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644799	0	39	-1.0	-43.15	298.85	3.03	-40.12
O=C(CC1CCCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644799	1	39	-1.0	-43.08	299.02	3.02	-40.06
O=C(CCC1=CN=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644800	0	36	-1.0	-43.15	298.38	2.29	-40.86
O=C(CCC1=CN=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644800	1	36	-1.0	-43.10	298.55	2.29	-40.81
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1C	REAL250004644801	0	36	-1.0	-44.44	288.65	4.25	-40.19
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1C	REAL250004644801	1	36	-1.0	-44.38	288.82	4.24	-40.14
CC(C)N1C=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644802	0	38	-1.0	-45.10	307.00	5.48	-39.62
CC(C)N1C=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644802	1	38	-1.0	-45.10	307.17	5.47	-39.63
C=CC(C)(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644803	0	36	-1.0	-40.57	282.95	2.05	-38.52
C=CC(C)(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644803	1	36	-1.0	-40.54	283.12	2.05	-38.49
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SCCO1	REAL250004644804	0	35	-1.0	-41.60	290.90	2.97	-38.63
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SCCO1	REAL250004644804	1	35	-1.0	-41.58	291.07	2.96	-38.62
CC1COCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644805	0	39	-1.0	-41.16	298.89	2.65	-38.51
CC1COCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644805	1	39	-1.0	-41.13	299.06	2.65	-38.48
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NS1	REAL250004644806	0	31	-1.0	-41.60	268.59	2.95	-38.65
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NS1	REAL250004644806	1	31	-1.0	-41.58	268.75	2.95	-38.63
CC(C)C1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CO1	REAL250004644807	0	38	-1.0	-41.98	306.15	4.37	-37.61
CC(C)C1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CO1	REAL250004644807	1	38	-1.0	-41.99	306.32	4.36	-37.63
CCC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644808	0	37	-1.0	-40.88	300.44	3.61	-37.27
CCC1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644808	1	37	-1.0	-40.90	300.60	3.61	-37.29
CC(C)(C(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644809	0	35	-1.0	-50.98	269.91	0.33	-50.65
CC(C)(C(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644809	1	35	-1.0	-50.91	270.07	0.32	-50.59
CSC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644810	0	36	-1.0	-38.89	291.79	4.07	-34.82
CSC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644810	1	36	-1.0	-38.88	291.95	4.08	-34.80
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644811	0	34	-1.0	-39.69	290.44	3.14	-36.55
CC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644811	1	34	-1.0	-39.65	290.61	3.14	-36.51
O=C(CC1=NC=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644813	0	34	-1.0	-45.22	288.33	3.28	-41.94
O=C(CC1=NC=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644813	1	34	-1.0	-45.14	288.50	3.28	-41.86
CC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644814	0	33	-1.0	-46.12	276.74	2.58	-43.54
CC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644814	1	33	-1.0	-46.10	276.90	2.58	-43.52
CC(C)(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644815	0	35	-1.0	-43.58	274.96	1.20	-42.38
CC(C)(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644815	1	35	-1.0	-43.58	275.13	1.20	-42.38
O=C(CCOCC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644816	0	35	-1.0	-43.49	296.50	2.48	-41.01
O=C(CCOCC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644816	1	35	-1.0	-43.45	296.67	2.48	-40.97
CC1C(=O)CCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644817	0	40	-1.0	-42.81	314.68	4.46	-38.35
CC1C(=O)CCC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644817	1	40	-1.0	-42.74	314.85	4.45	-38.29
O=C(CCC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644818	0	31	-1.0	-42.35	262.12	3.16	-39.19
O=C(CCC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644818	1	31	-1.0	-42.32	262.29	3.16	-39.16
CC=C(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644819	0	35	-1.0	-40.47	268.75	3.67	-36.80
CC=C(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644819	1	35	-1.0	-40.44	268.92	3.68	-36.76
CN1C=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644820	0	32	-1.0	-42.95	261.00	3.16	-39.79
CN1C=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644820	1	32	-1.0	-42.96	261.17	3.15	-39.81
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644821	0	36	-1.0	-41.59	285.53	3.59	-38.00
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644821	1	36	-1.0	-41.49	285.70	3.59	-37.90
O=C(C[C@@H]1CCCC[C@H]1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644822	0	42	-1.0	-42.73	317.73	2.10	-40.63
O=C(C[C@@H]1CCCC[C@H]1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644822	1	42	-1.0	-42.70	317.90	2.11	-40.59
O=C(C[C@H]1CCCC[C@@H]1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644823	0	42	-1.0	-41.57	317.73	2.12	-39.45
O=C(C[C@H]1CCCC[C@@H]1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644823	1	42	-1.0	-41.51	317.89	2.11	-39.40
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)F	REAL250004644824	0	34	-1.0	-39.19	267.44	2.94	-36.25
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)F	REAL250004644824	1	34	-1.0	-39.15	267.61	2.93	-36.22
CN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C#N	REAL250004644825	0	33	-1.0	-45.06	286.07	1.99	-43.07
CN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C#N	REAL250004644825	1	33	-1.0	-45.02	286.24	1.99	-43.03
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004644826	0	39	-1.0	-39.31	293.43	2.89	-36.42
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004644826	1	39	-1.0	-39.26	293.59	2.88	-36.38
CN1C=CC(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644827	0	37	-1.0	-44.53	305.53	5.33	-39.20
CN1C=CC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644827	1	37	-1.0	-44.51	305.70	5.32	-39.19
CCC(C)C(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644828	0	41	-1.0	-42.71	310.45	3.85	-38.86
CCC(C)C(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644828	1	41	-1.0	-42.67	310.62	3.86	-38.81
O=C(C1=NC=C(Cl)S1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644829	0	28	-1.0	-40.53	265.21	1.71	-38.82
O=C(C1=NC=C(Cl)S1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644829	1	28	-1.0	-40.50	265.38	1.71	-38.79
O=C(C1=NC=C(F)C=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644830	0	31	-1.0	-41.21	270.95	3.19	-38.02
O=C(C1=NC=C(F)C=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644830	1	31	-1.0	-41.19	271.11	3.18	-38.01
COC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644831	0	34	-1.0	-39.57	282.91	0.18	-39.39
COC1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644831	1	34	-1.0	-39.52	283.07	0.18	-39.34
O=C(C[C@H]1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644832	0	36	-1.0	-42.62	282.32	2.17	-40.45
O=C(C[C@H]1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644832	1	36	-1.0	-42.57	282.48	2.17	-40.40
O=C(C1=C(Cl)OC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644833	0	29	-1.0	-42.78	262.01	2.78	-40.00
O=C(C1=C(Cl)OC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644833	1	29	-1.0	-42.77	262.17	2.77	-40.00
CSC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644834	0	33	-1.0	-39.86	281.81	3.78	-36.08
CSC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644834	1	33	-1.0	-39.81	281.97	3.78	-36.03
O=C(C1=CC([O-])=CS1)N1CCN(C2=NNN=N2)CC1	REAL250004644835	1	30	-1.0	-51.09	264.19	0.82	-50.27
CN1C=CC=C1C(=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644836	0	35	-1.0	-41.71	285.34	3.53	-38.18
CN1C=CC=C1C(=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644836	1	35	-1.0	-41.64	285.50	3.52	-38.12
CC(C)[C@H](O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644837	0	35	-1.0	-39.55	266.77	0.90	-38.65
CC(C)[C@H](O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644837	1	35	-1.0	-39.50	266.94	0.89	-38.61
CCC(C)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644838	0	40	-1.0	-40.80	306.79	4.86	-35.94
CCC(C)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644838	1	40	-1.0	-40.73	306.96	4.86	-35.87
O=C(C1=C2CCCC2=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644839	0	36	-1.0	-42.41	290.15	4.39	-38.02
O=C(C1=C2CCCC2=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644839	1	36	-1.0	-42.44	290.32	4.38	-38.06
CCOC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004644840	0	42	-1.0	-38.74	312.20	3.80	-34.94
CCOC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004644840	1	42	-1.0	-38.71	312.36	3.80	-34.91
O=C(C(O)C1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644841	0	35	-1.0	-43.19	285.41	0.99	-42.20
O=C(C(O)C1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644841	1	35	-1.0	-43.16	285.57	0.98	-42.18
CC1=NOC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644842	0	34	-1.0	-45.61	284.94	3.32	-42.29
CC1=NOC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644842	1	34	-1.0	-45.59	285.11	3.31	-42.28
O=C(C(O)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644843	0	33	-1.0	-40.41	263.59	1.16	-39.25
O=C(C(O)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644843	1	33	-1.0	-40.38	263.75	1.16	-39.22
CCC1OCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644844	0	39	-1.0	-42.15	295.84	2.99	-39.16
CCC1OCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644844	1	39	-1.0	-42.13	296.00	2.99	-39.14
COC(=O)COCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644845	0	35	-1.0	-52.14	297.09	2.98	-49.16
COC(=O)COCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644845	1	35	-1.0	-52.05	297.25	2.98	-49.07
CC(C)(C)CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644846	0	46	-1.0	-40.91	347.69	6.14	-34.77
CC(C)(C)CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644846	1	46	-1.0	-40.85	347.86	6.14	-34.71
CC(C)[C@@H](O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644847	0	35	-1.0	-40.70	268.41	1.41	-39.29
CC(C)[C@@H](O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644847	1	35	-1.0	-40.67	268.57	1.41	-39.26
O=C(C1=C(F)C=CN=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644848	0	31	-1.0	-44.01	275.02	2.47	-41.54
O=C(C1=C(F)C=CN=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644848	1	31	-1.0	-43.96	275.19	2.47	-41.49
O=C(C1=NN2C=CC=NC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644849	0	34	-1.0	-47.70	286.26	3.45	-44.25
O=C(C1=NN2C=CC=NC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644849	1	34	-1.0	-47.63	286.43	3.44	-44.19
CC(O)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644850	0	36	-1.0	-39.30	278.14	0.90	-38.40
CC(O)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644850	1	36	-1.0	-39.31	278.30	0.89	-38.42
O=C(C1CCC2=CC=CN=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644851	0	38	-1.0	-44.00	304.37	4.27	-39.73
O=C(C1CCC2=CC=CN=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644851	1	38	-1.0	-44.02	304.54	4.26	-39.76
CC(C)(C)OCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644852	0	44	-1.0	-43.28	339.29	4.06	-39.22
CC(C)(C)OCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644852	1	44	-1.0	-43.21	339.46	4.06	-39.15
CC1(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644853	0	38	-1.0	-40.28	294.54	4.45	-35.83
CC1(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644853	1	38	-1.0	-40.26	294.71	4.45	-35.81
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL250004644854	0	32	-1.0	-41.30	274.01	3.80	-37.50
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004644854	1	32	-1.0	-41.24	274.17	3.80	-37.44
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644855	0	31	-1.0	-40.63	272.38	2.62	-38.01
O=C(C1=CC([N+](=O)[O-])=NN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644855	1	31	-1.0	-40.61	272.55	2.62	-37.99
CC1=COC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL250004644856	0	35	-1.0	-41.32	282.75	3.77	-37.55
CC1=COC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL250004644856	1	35	-1.0	-41.33	282.92	3.76	-37.57
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1	REAL250004644857	0	36	-1.0	-43.90	290.59	3.39	-40.51
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1	REAL250004644857	1	36	-1.0	-43.86	290.75	3.39	-40.47
CC(C)C1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1	REAL250004644858	0	39	-1.0	-44.28	309.99	3.93	-40.35
CC(C)C1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1	REAL250004644858	1	39	-1.0	-44.22	310.16	3.93	-40.29
CCC(C)(C#N)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644859	0	35	-1.0	-42.92	275.93	2.80	-40.12
CCC(C)(C#N)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644859	1	35	-1.0	-42.91	276.09	2.79	-40.12
O=C(COC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644860	0	29	-1.0	-42.81	252.28	1.86	-40.95
O=C(COC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644860	1	29	-1.0	-42.77	252.45	1.86	-40.91
CC1=NC=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644861	0	37	-1.0	-44.93	300.22	3.86	-41.07
CC1=NC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644861	1	37	-1.0	-44.90	300.38	3.85	-41.05
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644862	0	39	-1.0	-41.25	315.39	6.43	-34.82
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644862	1	39	-1.0	-41.21	315.55	6.43	-34.78
O=C(C1=C(Cl)C=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644863	0	29	-1.0	-42.28	268.43	3.60	-38.68
O=C(C1=C(Cl)C=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644863	1	29	-1.0	-42.29	268.59	3.59	-38.70
COCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004644864	0	39	-1.0	-41.18	297.14	3.06	-38.12
COCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004644864	1	39	-1.0	-41.16	297.31	3.06	-38.10
CN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644865	0	31	-1.0	-41.36	260.75	0.83	-40.53
CN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644865	1	31	-1.0	-41.30	260.92	0.82	-40.48
O=C(C1=CN2C=NC=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644866	1	35	-1.0	-42.72	295.11	5.66	-37.06
O=C(C1=CN2C=NC=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644866	1	35	-1.0	-42.79	294.94	5.67	-37.12
O=C(C1COC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644867	0	31	-1.0	-48.14	259.22	-1.39	-49.53
O=C(C1COC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644867	1	31	-1.0	-48.09	259.38	-1.39	-49.48
CC1=COC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644868	0	35	-1.0	-40.96	292.35	3.77	-37.19
CC1=COC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644868	1	35	-1.0	-40.92	292.51	3.78	-37.14
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004644869	0	40	-1.0	-39.46	300.33	1.25	-38.21
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004644869	1	40	-1.0	-39.40	300.50	1.24	-38.16
CC(C)C1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=C1	REAL250004644870	0	38	-1.0	-41.56	303.22	4.34	-37.22
CC(C)C1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=C1	REAL250004644870	1	38	-1.0	-41.54	303.38	4.35	-37.19
CC1=NC=CN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644871	0	35	-1.0	-46.82	289.72	3.94	-42.88
CC1=NC=CN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644871	1	35	-1.0	-46.85	289.55	3.95	-42.90
CN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1Cl	REAL250004644872	0	32	-1.0	-41.19	281.77	2.81	-38.38
CN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1Cl	REAL250004644872	1	32	-1.0	-41.16	281.94	2.82	-38.34
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN=C1F	REAL250004644873	0	34	-1.0	-41.38	284.25	2.85	-38.53
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN=C1F	REAL250004644873	1	34	-1.0	-41.35	284.41	2.85	-38.50
C=CC(C)(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644874	0	33	-1.0	-39.49	263.26	0.35	-39.14
C=CC(C)(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644874	1	33	-1.0	-39.46	263.43	0.34	-39.12
CN(C)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644875	1	37	-1.0	-39.77	280.72	2.79	-36.98
CN(C)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644875	1	37	-1.0	-39.78	280.89	2.78	-37.00
CN1[N-]C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL250004644876	1	33	-1.0	-41.92	277.48	0.71	-41.21
O=CN1CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644877	0	36	-1.0	-47.87	288.22	2.18	-45.69
O=CN1CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644877	1	36	-1.0	-47.81	288.39	2.17	-45.64
O=C(CCC1=NNN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644878	0	34	-1.0	-42.04	283.16	0.97	-41.07
O=C(CCC1=NNN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644878	1	34	-1.0	-42.02	283.33	0.97	-41.05
CC1=CNN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644879	0	32	-1.0	-44.37	261.35	1.81	-42.56
CC1=CNN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644879	1	32	-1.0	-44.36	261.52	1.80	-42.56
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CCC1	REAL250004644880	0	39	-1.0	-39.41	285.63	4.34	-35.07
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CCC1	REAL250004644880	1	39	-1.0	-39.34	285.79	4.34	-35.00
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CS1	REAL250004644881	0	32	-1.0	-41.09	272.96	3.80	-37.29
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CS1	REAL250004644881	1	32	-1.0	-41.07	273.13	3.80	-37.27
O=C(CC1(O)CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644882	0	36	-1.0	-41.32	282.79	2.20	-39.12
O=C(CC1(O)CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644882	1	36	-1.0	-41.25	282.95	2.20	-39.05
CN1N=CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644883	0	37	-1.0	-43.81	306.27	2.09	-41.72
CN1N=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644883	1	37	-1.0	-43.80	306.43	2.09	-41.71
O=C(CC1CCC2CC21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644884	0	39	-1.0	-40.42	299.44	5.45	-34.97
O=C(CC1CCC2CC21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644884	1	39	-1.0	-40.37	299.61	5.44	-34.93
CC1=NN=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644885	0	33	-1.0	-46.24	289.16	1.88	-44.36
CC1=NN=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644885	1	33	-1.0	-46.18	289.33	1.88	-44.30
O=C(CCC1=CN=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644886	0	36	-1.0	-42.75	299.01	3.92	-38.83
O=C(CCC1=CN=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644886	1	36	-1.0	-42.74	299.17	3.92	-38.82
CC[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644887	0	35	-1.0	-40.83	280.74	4.30	-36.53
CC[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644887	1	35	-1.0	-40.81	280.90	4.30	-36.51
O=C(C1CC1(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644888	0	29	-1.0	-42.56	249.47	3.07	-39.49
O=C(C1CC1(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644888	1	29	-1.0	-42.56	249.64	3.06	-39.50
O=C(CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644889	0	40	-1.0	-49.00	325.26	5.19	-43.81
O=C(CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644889	1	40	-1.0	-48.98	325.43	5.19	-43.79
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004644890	0	41	-1.0	-40.92	296.96	4.51	-36.41
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004644890	1	41	-1.0	-40.88	297.13	4.52	-36.36
O=C(C1=CNC2=NC=CC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644891	0	35	-1.0	-43.20	294.09	3.61	-39.59
O=C(C1=CNC2=NC=CC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644891	1	35	-1.0	-43.10	294.25	3.60	-39.50
O=C(CSC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644892	0	29	-1.0	-41.69	264.18	2.99	-38.70
O=C(CSC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644892	1	29	-1.0	-41.63	264.34	2.99	-38.64
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)=C1CCC1	REAL250004644893	0	36	-1.0	-40.38	291.31	4.68	-35.70
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)=C1CCC1	REAL250004644893	1	36	-1.0	-40.35	291.48	4.69	-35.66
CCC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644894	0	37	-1.0	-38.91	300.92	3.95	-34.96
CCC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644894	1	37	-1.0	-38.83	301.09	3.94	-34.89
O=C(C1CC1)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644895	0	38	-1.0	-39.82	310.32	4.57	-35.25
O=C(C1CC1)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644895	1	38	-1.0	-39.75	310.49	4.56	-35.19
O=C(C#CC1=CC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644896	0	31	-1.0	-40.63	285.51	4.84	-35.79
O=C(C#CC1=CC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644896	1	31	-1.0	-40.59	285.67	4.84	-35.75
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644897	0	41	-1.0	-40.62	321.48	5.62	-35.00
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644897	1	41	-1.0	-40.59	321.64	5.62	-34.97
O=C(CCC1CCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644898	0	39	-1.0	-46.75	310.83	1.52	-45.23
O=C(CCC1CCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644898	1	39	-1.0	-46.72	310.99	1.51	-45.21
CC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1C	REAL250004644899	0	44	-1.0	-39.87	326.88	5.61	-34.26
CC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1C	REAL250004644899	1	44	-1.0	-39.85	327.05	5.61	-34.24
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644900	0	37	-1.0	-41.13	290.94	2.56	-38.57
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644900	1	37	-1.0	-41.08	291.11	2.56	-38.52
CC(C)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644901	0	40	-1.0	-40.88	310.03	4.96	-35.92
CC(C)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644901	1	40	-1.0	-40.82	310.19	4.96	-35.86
CCCC1CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644902	0	44	-1.0	-40.46	331.57	5.98	-34.48
CCCC1CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644902	1	44	-1.0	-40.39	331.73	5.97	-34.42
CN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004644903	0	32	-1.0	-42.07	283.10	2.22	-39.85
CN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004644903	1	32	-1.0	-42.07	283.27	2.23	-39.84
CCOC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644904	0	35	-1.0	-38.32	293.69	0.56	-37.76
CCOC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644904	1	35	-1.0	-38.30	293.85	0.57	-37.73
CC(C)(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)[N+](=O)[O-]	REAL250004644905	0	39	-1.0	-46.98	311.34	4.17	-42.81
CC(C)(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)[N+](=O)[O-]	REAL250004644905	1	39	-1.0	-46.98	311.51	4.17	-42.81
CC1=CN=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644906	0	34	-1.0	-41.12	277.18	2.93	-38.19
CC1=CN=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644906	1	34	-1.0	-41.07	277.34	2.93	-38.14
O=C(CC1CC(=O)NC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644907	0	35	-1.0	-52.61	287.75	1.27	-51.34
O=C(CC1CC(=O)NC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644907	1	35	-1.0	-52.58	287.91	1.27	-51.31
NC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644908	0	34	-1.0	-44.16	284.64	-0.88	-45.04
NC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644908	1	34	-1.0	-44.11	284.81	-0.89	-45.00
O=C(C1=C2C=CNC2=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644909	0	35	-1.0	-46.99	290.03	3.09	-43.90
O=C(C1=C2C=CNC2=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644909	1	35	-1.0	-46.98	290.19	3.09	-43.89
N#CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL250004644910	0	30	-1.0	-43.81	273.15	3.58	-40.23
N#CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004644910	1	30	-1.0	-43.77	273.31	3.58	-40.19
O=C(C1=NSC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644911	0	28	-1.0	-41.84	246.96	2.19	-39.65
O=C(C1=NSC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644911	1	28	-1.0	-41.82	247.13	2.18	-39.64
CCC1CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644912	0	41	-1.0	-40.71	304.82	5.54	-35.17
CCC1CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644912	1	41	-1.0	-40.66	304.98	5.53	-35.13
C#CCOC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644913	0	34	-1.0	-45.75	284.87	3.49	-42.26
C#CCOC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644913	1	34	-1.0	-45.72	285.03	3.48	-42.24
CCC(C)=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644914	0	35	-1.0	-40.62	278.25	4.17	-36.45
CCC(C)=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644914	1	35	-1.0	-40.59	278.42	4.17	-36.42
O=C(C=CC1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644915	0	37	-1.0	-41.74	296.58	2.77	-38.97
O=C(C=CC1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644915	1	37	-1.0	-41.72	296.74	2.77	-38.95
O=C(C1=NN2CCCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644916	0	36	-1.0	-45.77	289.61	3.29	-42.48
O=C(C1=NN2CCCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644916	1	36	-1.0	-45.74	289.78	3.30	-42.44
CC1CCCC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644917	0	41	-1.0	-39.81	294.55	4.64	-35.17
CC1CCCC1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644917	1	41	-1.0	-39.79	294.71	4.63	-35.16
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(C#N)N1	REAL250004644918	0	34	-1.0	-42.73	289.95	2.87	-39.86
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(C#N)N1	REAL250004644918	1	34	-1.0	-42.65	290.12	2.86	-39.79
O=C(C1=C2CCCN2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644919	0	36	-1.0	-44.77	290.60	2.65	-42.12
O=C(C1=C2CCCN2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644919	1	36	-1.0	-44.72	290.76	2.64	-42.08
O=C(C=CC1=CNN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644920	0	33	-1.0	-45.63	277.57	2.15	-43.48
O=C(C=CC1=CNN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644920	1	33	-1.0	-45.56	277.74	2.14	-43.42
O=C(C1=CC(=O)NN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644921	0	31	-1.0	-40.61	267.40	-0.19	-40.80
O=C(C1=CC(=O)NN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644921	1	31	-1.0	-40.52	267.56	-0.20	-40.72
CC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644922	0	33	-1.0	-45.82	270.26	2.65	-43.17
CC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644922	1	33	-1.0	-45.83	270.44	2.65	-43.18
O=C([C@@H]1CNC(=O)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644923	0	31	-1.0	-49.68	257.55	-1.01	-50.69
O=C([C@@H]1CNC(=O)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644923	1	31	-1.0	-49.69	257.72	-1.02	-50.71
C[Si](C)(C)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644924	0	43	-1.0	-42.16	342.97	7.54	-34.62
C[Si](C)(C)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644924	1	43	-1.0	-42.13	343.14	7.53	-34.60
CC1=NN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004644925	0	30	-1.0	-41.80	265.32	1.43	-40.37
CC1=NN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004644925	1	30	-1.0	-41.76	265.49	1.43	-40.33
C=CC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644926	0	35	-1.0	-40.71	266.31	3.16	-37.55
C=CC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644926	1	35	-1.0	-40.66	266.47	3.15	-37.51
CC(F)(F)C(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644927	0	37	-1.0	-46.02	281.28	3.43	-42.59
CC(F)(F)C(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644927	1	37	-1.0	-45.97	281.45	3.44	-42.53
O=C(CSC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644928	0	33	-1.0	-42.12	283.08	4.31	-37.81
O=C(CSC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644928	1	33	-1.0	-42.03	283.24	4.31	-37.72
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004644929	0	38	-1.0	-45.57	310.20	3.40	-42.17
CC1=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004644929	1	38	-1.0	-45.51	310.36	3.39	-42.12
CC1=CC(C#N)=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644930	0	35	-1.0	-43.55	302.41	3.44	-40.11
CC1=CC(C#N)=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644930	1	35	-1.0	-43.52	302.58	3.43	-40.09
O=C([C@H]1C[C@@H]1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644931	0	36	-1.0	-41.09	291.41	5.11	-35.98
O=C([C@H]1C[C@@H]1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644931	1	36	-1.0	-41.07	291.57	5.10	-35.97
CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004644932	0	35	-1.0	-47.99	290.17	3.09	-44.90
CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004644932	1	35	-1.0	-47.98	290.34	3.08	-44.90
COC1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004644933	0	42	-1.0	-40.77	319.10	3.68	-37.09
COC1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004644933	1	42	-1.0	-40.73	319.27	3.68	-37.05
CNC(=O)NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644934	0	37	-1.0	-51.15	303.67	-0.89	-52.04
CNC(=O)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644934	1	37	-1.0	-51.08	303.83	-0.90	-51.98
CCN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644935	0	34	-1.0	-40.85	282.56	1.67	-39.18
CCN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644935	1	34	-1.0	-40.79	282.73	1.66	-39.13
CCOC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644936	0	36	-1.0	-40.14	297.30	-0.33	-40.47
CCOC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644936	1	36	-1.0	-40.10	297.47	-0.34	-40.44
O=C(C1CC2=CC=CC=C2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644937	0	39	-1.0	-41.08	306.77	6.00	-35.08
O=C(C1CC2=CC=CC=C2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644937	1	39	-1.0	-41.04	306.93	5.99	-35.05
O=C(C1=NC=CN2C=CN=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644938	0	34	-1.0	-51.91	285.23	3.80	-48.11
O=C(C1=NC=CN2C=CN=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644938	1	34	-1.0	-51.90	285.39	3.79	-48.11
CCCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004644939	0	37	-1.0	-40.51	303.84	4.33	-36.18
CCCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004644939	1	37	-1.0	-40.44	304.00	4.32	-36.12
N#CC1=CSC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644940	0	30	-1.0	-50.35	274.04	3.47	-46.88
N#CC1=CSC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644940	1	30	-1.0	-50.33	274.20	3.47	-46.86
CCC1CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644941	0	35	-1.0	-40.66	275.30	4.30	-36.36
CCC1CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644941	1	35	-1.0	-40.66	275.46	4.29	-36.37
O=C(CC1=NC=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644942	0	32	-1.0	-48.32	266.60	1.86	-46.46
O=C(CC1=NC=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644942	1	32	-1.0	-48.29	266.76	1.85	-46.44
O=C(CCC1=NOC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644943	0	34	-1.0	-43.98	284.38	3.22	-40.76
O=C(CCC1=NOC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644943	1	34	-1.0	-43.96	284.54	3.21	-40.75
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)(F)F	REAL250004644944	0	34	-1.0	-46.28	274.04	3.36	-42.92
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)(F)F	REAL250004644944	1	34	-1.0	-46.26	274.21	3.36	-42.90
CC(O)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004644945	0	39	-1.0	-39.51	295.74	1.93	-37.58
CC(O)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004644945	1	39	-1.0	-39.47	295.90	1.92	-37.55
CCN1N=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644946	0	34	-1.0	-40.56	276.88	1.24	-39.32
CCN1N=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644946	1	34	-1.0	-40.51	277.04	1.24	-39.27
CC1=NC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644947	0	35	-1.0	-41.29	289.80	2.10	-39.19
CC1=NC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644947	1	35	-1.0	-41.25	289.96	2.09	-39.16
CCN1N=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644948	0	37	-1.0	-41.05	301.62	2.27	-38.78
CCN1N=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644948	1	37	-1.0	-41.01	301.78	2.26	-38.75
O=C(CC1=CN=CC(O)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644949	0	35	-1.0	-46.26	293.90	0.47	-45.79
O=C(CC1=CN=CC(O)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644949	1	35	-1.0	-46.23	294.06	0.47	-45.76
COC1=CN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004644950	0	34	-1.0	-44.34	284.84	1.26	-43.08
COC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004644950	1	34	-1.0	-44.29	285.00	1.25	-43.04
O=C(C1CC2CCC1CC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644951	0	42	-1.0	-40.15	302.38	5.27	-34.88
O=C(C1CC2CCC1CC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644951	1	42	-1.0	-40.12	302.55	5.26	-34.86
COCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644952	0	36	-1.0	-42.70	298.09	1.13	-41.57
COCN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644952	1	36	-1.0	-42.69	298.26	1.12	-41.57
C=CCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644953	0	38	-1.0	-40.34	287.56	3.92	-36.42
C=CCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644953	1	38	-1.0	-40.28	287.72	3.91	-36.37
N#CC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644954	0	33	-1.0	-51.88	275.95	3.74	-48.14
N#CC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004644954	1	33	-1.0	-51.84	276.12	3.74	-48.10
CC1=CSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004644955	0	32	-1.0	-40.54	274.01	3.70	-36.84
CC1=CSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004644955	1	32	-1.0	-40.48	274.18	3.69	-36.79
CCCC(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644956	0	38	-1.0	-41.18	298.98	3.54	-37.64
CCCC(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644956	1	38	-1.0	-41.12	299.15	3.53	-37.59
O=C(C1=NC=CC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644957	0	31	-1.0	-43.78	272.95	3.51	-40.27
O=C(C1=NC=CC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644957	1	31	-1.0	-43.71	273.12	3.50	-40.21
O=C(C1=C(C2CC2)OC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644958	0	35	-1.0	-43.26	289.08	2.35	-40.91
O=C(C1=C(C2CC2)OC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644958	1	35	-1.0	-43.24	289.25	2.34	-40.90
O=C(C1=C(F)C=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644959	0	29	-1.0	-44.53	259.41	3.17	-41.36
O=C(C1=C(F)C=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644959	1	29	-1.0	-44.52	259.58	3.16	-41.36
COCC(C)C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644960	0	41	-1.0	-42.30	316.05	2.88	-39.42
COCC(C)C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644960	1	41	-1.0	-42.26	316.21	2.87	-39.39
CCC[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644961	0	38	-1.0	-40.73	302.24	5.07	-35.66
CCC[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644961	1	38	-1.0	-40.68	302.40	5.07	-35.61
CN1C=CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644962	0	38	-1.0	-44.92	312.23	3.62	-41.30
CN1C=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644962	1	38	-1.0	-44.85	312.39	3.62	-41.23
COC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644963	0	39	-1.0	-40.31	290.54	3.22	-37.09
COC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644963	1	39	-1.0	-40.28	290.70	3.22	-37.06
COC1CCCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644964	0	42	-1.0	-42.44	320.85	3.67	-38.77
COC1CCCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644964	1	42	-1.0	-42.42	321.01	3.66	-38.76
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004644965	0	34	-1.0	-41.96	279.47	1.50	-40.46
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004644965	1	34	-1.0	-41.91	279.64	1.50	-40.41
CCC(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644966	0	35	-1.0	-44.17	280.13	1.26	-42.91
CCC(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644966	1	35	-1.0	-44.12	280.30	1.26	-42.86
CC(C)N1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004644967	0	37	-1.0	-43.40	301.49	2.37	-41.03
CC(C)N1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004644967	1	37	-1.0	-43.37	301.65	2.36	-41.01
O=C(CCCC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644968	0	38	-1.0	-41.19	302.61	5.26	-35.93
O=C(CCCC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644968	1	38	-1.0	-41.20	302.77	5.25	-35.95
O=C(CCC1=NC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644969	0	36	-1.0	-44.44	299.34	3.11	-41.33
O=C(CCC1=NC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644969	1	36	-1.0	-44.38	299.51	3.11	-41.27
O=C(C1=CC2=CN=CC=C2O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644970	0	34	-1.0	-40.57	286.54	3.10	-37.47
O=C(C1=CC2=CN=CC=C2O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644970	1	34	-1.0	-40.57	286.71	3.09	-37.48
O=C(CCC1=CN=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644971	0	34	-1.0	-41.81	294.17	3.14	-38.67
O=C(CCC1=CN=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644971	1	34	-1.0	-41.76	294.33	3.15	-38.61
CC(C)(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644972	0	41	-1.0	-39.65	304.89	5.27	-34.38
CC(C)(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644972	1	41	-1.0	-39.63	305.06	5.26	-34.37
CCC1=NC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004644973	0	37	-1.0	-39.93	300.52	1.19	-38.74
CCC1=NC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004644973	1	37	-1.0	-39.89	300.68	1.19	-38.70
CN1N=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644974	0	30	-1.0	-43.14	255.54	0.34	-42.80
CN1N=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644974	1	30	-1.0	-43.08	255.70	0.34	-42.74
O=C(C1=NOC(CO)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644975	0	32	-1.0	-43.87	272.23	-0.59	-44.46
O=C(C1=NOC(CO)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644975	1	32	-1.0	-43.81	272.40	-0.59	-44.40
O=C(CC1=CC=NC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644976	0	34	-1.0	-44.89	289.28	3.28	-41.61
O=C(CC1=CC=NC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644976	1	34	-1.0	-44.80	289.45	3.28	-41.52
CC1=CC=C(O)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644977	0	36	-1.0	-42.12	293.07	1.84	-40.28
CC1=CC=C(O)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644977	1	36	-1.0	-42.10	293.23	1.83	-40.27
COCC1=NOC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644978	0	35	-1.0	-44.70	294.66	1.36	-43.34
COCC1=NOC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644978	1	35	-1.0	-44.68	294.83	1.37	-43.31
COC(=O)CC(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644979	0	40	-1.0	-47.62	317.54	4.15	-43.47
COC(=O)CC(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644979	1	40	-1.0	-47.57	317.71	4.15	-43.42
O=C(C1=C(C2CC2)N=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644980	0	35	-1.0	-42.03	289.01	1.44	-40.59
O=C(C1=C(C2CC2)N=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644980	1	35	-1.0	-41.96	289.18	1.43	-40.53
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCCCC1	REAL250004644981	0	38	-1.0	-39.59	288.48	4.35	-35.24
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCCCC1	REAL250004644981	1	38	-1.0	-39.54	288.65	4.34	-35.20
N#CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004644982	0	32	-1.0	-45.18	278.94	3.42	-41.76
N#CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004644982	1	32	-1.0	-45.15	279.11	3.42	-41.73
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004644983	0	35	-1.0	-43.66	291.45	2.74	-40.92
CC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004644983	1	35	-1.0	-43.57	291.62	2.74	-40.83
O=C(CC1CCCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644984	0	39	-1.0	-47.69	305.65	1.77	-45.92
O=C(CC1CCCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644984	1	39	-1.0	-47.71	305.81	1.77	-45.94
O=C(C1CCCSC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644985	0	36	-1.0	-40.17	289.88	4.26	-35.91
O=C(C1CCCSC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644985	1	36	-1.0	-40.14	290.04	4.26	-35.88
O=C(C1=NN2CCOC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644986	0	34	-1.0	-44.00	280.52	0.41	-43.59
O=C(C1=NN2CCOC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644986	1	34	-1.0	-43.96	280.69	0.40	-43.56
CC1CC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644987	0	35	-1.0	-41.08	280.27	4.34	-36.74
CC1CC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644987	1	35	-1.0	-41.02	280.43	4.34	-36.68
C#CC1=CC=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644988	0	37	-1.0	-44.12	313.18	6.19	-37.93
C#CC1=CC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644988	1	37	-1.0	-44.09	313.35	6.18	-37.91
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644989	0	34	-1.0	-52.63	280.75	-2.30	-54.93
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644989	1	34	-1.0	-52.56	280.91	-2.30	-54.86
C=CC(=O)N(CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644990	0	39	-1.0	-49.66	318.96	3.61	-46.05
C=CC(=O)N(CC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644990	1	39	-1.0	-49.66	319.13	3.61	-46.05
CN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004644991	0	31	-1.0	-44.63	261.12	0.97	-43.66
CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004644991	1	31	-1.0	-44.59	261.28	0.97	-43.62
NC(=O)C1CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644992	0	36	-1.0	-44.63	290.66	-0.01	-44.64
NC(=O)C1CCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644992	1	36	-1.0	-44.57	290.83	-0.02	-44.59
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(CO)=NO1	REAL250004644993	0	35	-1.0	-41.94	298.64	-0.13	-42.07
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(CO)=NO1	REAL250004644993	1	35	-1.0	-41.92	298.80	-0.14	-42.06
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004644994	0	38	-1.0	-40.22	280.44	3.97	-36.25
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004644994	1	38	-1.0	-40.16	280.60	3.96	-36.20
CC1=NSC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644995	0	34	-1.0	-38.58	294.30	3.21	-35.37
CC1=NSC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644995	1	34	-1.0	-38.54	294.47	3.20	-35.34
O=C(C1=CN(CCF)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644996	0	35	-1.0	-42.90	293.34	2.80	-40.10
O=C(C1=CN(CCF)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644996	1	35	-1.0	-42.86	293.51	2.79	-40.07
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCOC1	REAL250004644997	0	33	-1.0	-37.70	262.69	1.26	-36.44
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCOC1	REAL250004644997	1	33	-1.0	-37.67	262.86	1.26	-36.41
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CCF)CC1	REAL250004644998	0	35	-1.0	-40.08	282.39	3.97	-36.11
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CCF)CC1	REAL250004644998	1	35	-1.0	-40.08	282.56	3.96	-36.12
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1C	REAL250004644999	0	39	-1.0	-44.38	309.72	4.98	-39.40
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1C	REAL250004644999	1	39	-1.0	-44.36	309.89	4.97	-39.39
O=C(CN1C=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645000	0	32	-1.0	-46.91	268.82	4.12	-42.79
O=C(CN1C=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645000	1	32	-1.0	-46.88	268.99	4.12	-42.76
N#CC1=CC=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645001	0	32	-1.0	-46.89	277.96	2.51	-44.38
N#CC1=CC=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645001	1	32	-1.0	-46.85	278.13	2.51	-44.34
O=C(CN1C=C(Cl)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645002	0	32	-1.0	-47.92	285.23	2.98	-44.94
O=C(CN1C=C(Cl)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645002	1	32	-1.0	-47.88	285.40	2.99	-44.89
CC1=NN=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645003	0	33	-1.0	-50.03	280.12	-1.94	-51.97
CC1=NN=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645003	1	33	-1.0	-49.96	280.29	-1.95	-51.91
CC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004645004	0	41	-1.0	-40.08	305.73	5.23	-34.85
CC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004645004	1	41	-1.0	-39.98	305.90	5.22	-34.76
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CCOC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645006	0	39	-1.0	-42.85	309.65	3.31	-39.54
CCOC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645006	1	39	-1.0	-42.84	309.82	3.30	-39.54
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CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC(=O)N1	REAL250004645008	1	33	-1.0	-44.77	279.43	-0.54	-45.31
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CC(CC1=CNC=N1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645014	1	38	-1.0	-43.29	302.40	4.30	-38.99
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CC1(C)CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645019	0	42	-1.0	-40.62	319.84	5.39	-35.23
CC1(C)CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645019	1	42	-1.0	-40.57	320.01	5.38	-35.19
CC1CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645020	0	39	-1.0	-40.07	304.16	5.04	-35.03
CC1CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645020	1	39	-1.0	-40.02	304.33	5.04	-34.98
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CC(C)CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645022	0	43	-1.0	-40.92	331.52	5.74	-35.18
CC(C)CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645022	1	43	-1.0	-40.88	331.69	5.74	-35.14
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCO1	REAL250004645023	0	39	-1.0	-39.11	289.15	3.22	-35.89
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCO1	REAL250004645023	1	39	-1.0	-39.05	289.32	3.21	-35.84
COCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004645024	0	42	-1.0	-42.84	314.28	3.16	-39.68
COCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004645024	1	42	-1.0	-42.83	314.45	3.15	-39.68
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645025	0	38	-1.0	-49.41	290.04	5.33	-44.08
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645025	1	38	-1.0	-49.35	290.20	5.33	-44.02
CN1C(=O)CCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645026	0	39	-1.0	-43.22	310.32	2.93	-40.29
CN1C(=O)CCC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645026	1	39	-1.0	-43.15	310.49	2.93	-40.22
O=C(C1CCOC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645027	0	34	-1.0	-48.75	275.88	-0.31	-49.06
O=C(C1CCOC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645027	1	34	-1.0	-48.76	276.05	-0.32	-49.08
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC(=O)N1	REAL250004645028	0	39	-1.0	-46.54	305.30	1.11	-45.43
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC(=O)N1	REAL250004645028	1	39	-1.0	-46.48	305.47	1.10	-45.38
O=C(C1=CSC(CO)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645029	0	32	-1.0	-44.74	280.66	-0.73	-45.47
O=C(C1=CSC(CO)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645029	1	32	-1.0	-44.70	280.82	-0.73	-45.43
O=C(CCC1=CNN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645030	0	35	-1.0	-43.24	289.22	2.38	-40.86
O=C(CCC1=CNN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645030	1	35	-1.0	-43.15	289.39	2.39	-40.76
CCC1=NN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004645031	0	33	-1.0	-41.25	286.80	2.18	-39.07
CCC1=NN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004645031	1	33	-1.0	-41.21	286.97	2.18	-39.03
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004645032	0	38	-1.0	-40.99	294.65	4.63	-36.36
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004645032	1	38	-1.0	-40.96	294.81	4.62	-36.34
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC=C1C#N	REAL250004645033	0	35	-1.0	-41.25	298.26	4.05	-37.20
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC=C1C#N	REAL250004645033	1	35	-1.0	-41.22	298.42	4.04	-37.18
CCC(CC(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645034	0	37	-1.0	-41.47	290.94	3.94	-37.53
CCC(CC(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645034	1	37	-1.0	-41.42	291.10	3.94	-37.48
CCC(C)(C)OCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645035	0	41	-1.0	-43.11	313.65	4.26	-38.85
CCC(C)(C)OCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645035	1	41	-1.0	-43.10	313.82	4.27	-38.83
CC(C)(C)C1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645036	0	44	-1.0	-41.22	327.29	5.58	-35.64
CC(C)(C)C1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645036	1	44	-1.0	-41.18	327.46	5.57	-35.61
CC(C)(C)C#CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645037	0	36	-1.0	-40.66	298.12	4.68	-35.98
CC(C)(C)C#CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645037	1	36	-1.0	-40.60	298.29	4.68	-35.92
O=C(C1=CN=C2C=CC=NN12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645038	0	34	-1.0	-51.64	284.78	2.65	-48.99
O=C(C1=CN=C2C=CC=NN12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645038	1	34	-1.0	-51.62	284.95	2.64	-48.98
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CO)CCOCC1	REAL250004645039	0	40	-1.0	-43.62	294.71	-1.13	-44.75
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CO)CCOCC1	REAL250004645039	1	40	-1.0	-43.60	294.87	-1.13	-44.73
CC1=NON=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645040	0	33	-1.0	-50.20	279.31	1.62	-48.58
CC1=NON=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645040	1	33	-1.0	-50.13	279.48	1.61	-48.52
CC1=CN(C)N=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645041	0	35	-1.0	-45.08	284.16	3.14	-41.94
CC1=CN(C)N=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645041	1	35	-1.0	-45.05	284.32	3.13	-41.92
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645042	0	39	-1.0	-42.06	315.10	6.41	-35.65
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645042	1	39	-1.0	-42.03	315.26	6.41	-35.62
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCOC1	REAL250004645043	0	34	-1.0	-41.95	269.00	-1.69	-43.64
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(O)CCOC1	REAL250004645043	1	34	-1.0	-41.88	269.17	-1.69	-43.57
O=C(C1=CN=CC(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645044	0	31	-1.0	-39.70	274.26	2.69	-37.01
O=C(C1=CN=CC(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645044	1	31	-1.0	-39.65	274.43	2.70	-36.95
O=C(C(O)C1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645045	0	36	-1.0	-40.28	278.02	2.09	-38.19
O=C(C(O)C1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645045	1	36	-1.0	-40.29	278.18	2.09	-38.20
CCCC(CC(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645046	0	46	-1.0	-40.54	339.10	5.73	-34.81
CCCC(CC(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645046	1	46	-1.0	-40.48	339.26	5.72	-34.76
CCC(CC(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645047	0	43	-1.0	-40.69	323.07	5.24	-35.45
CCC(CC(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645047	1	43	-1.0	-40.66	323.24	5.23	-35.43
O=C(C1=CC2=CC=CNC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645048	0	35	-1.0	-57.25	290.00	4.21	-53.04
O=C(C1=CC2=CC=CNC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645048	1	35	-1.0	-57.17	290.16	4.20	-52.97
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC(=O)CC1	REAL250004645049	0	40	-1.0	-44.58	295.50	3.52	-41.06
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC(=O)CC1	REAL250004645049	1	40	-1.0	-44.55	295.67	3.51	-41.04
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N(C)N=C1	REAL250004645050	0	35	-1.0	-39.23	290.92	2.60	-36.63
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N(C)N=C1	REAL250004645050	1	35	-1.0	-39.20	291.08	2.60	-36.60
COCC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645051	0	41	-1.0	-41.55	312.76	3.21	-38.34
COCC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645051	1	41	-1.0	-41.51	312.92	3.21	-38.30
O=C(C1CCC(F)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645052	0	38	-1.0	-44.09	294.01	4.59	-39.50
O=C(C1CCC(F)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645052	1	38	-1.0	-44.11	294.18	4.58	-39.53
CCC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645053	0	37	-1.0	-43.15	299.88	4.56	-38.59
CCC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645053	1	37	-1.0	-43.12	300.05	4.56	-38.56
O=C(CC1CC(F)(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645054	0	35	-1.0	-43.41	289.05	4.36	-39.05
O=C(CC1CC(F)(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645054	1	35	-1.0	-43.36	289.21	4.37	-38.99
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1C	REAL250004645055	0	37	-1.0	-43.20	296.26	4.31	-38.89
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1C	REAL250004645055	1	37	-1.0	-43.21	296.43	4.32	-38.89
C=CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004645056	0	42	-1.0	-40.64	310.38	5.07	-35.57
C=CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004645056	1	42	-1.0	-40.58	310.54	5.07	-35.51
COC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004645057	0	36	-1.0	-44.33	300.37	0.67	-43.66
COC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004645057	1	36	-1.0	-44.31	300.53	0.66	-43.65
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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL250004645058	1	31	-1.0	-40.68	267.10	3.21	-37.47
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645059	0	33	-1.0	-43.59	274.30	2.33	-41.26
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645059	1	33	-1.0	-43.55	274.46	2.33	-41.22
CC(C)CC(C(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645060	0	41	-1.0	-47.56	321.83	0.59	-46.97
CC(C)CC(C(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645060	1	41	-1.0	-47.54	322.00	0.58	-46.96
CCCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CN1	REAL250004645061	0	39	-1.0	-44.05	312.08	4.15	-39.90
CCCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CN1	REAL250004645061	1	39	-1.0	-43.95	312.25	4.16	-39.79
COC(CC(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645062	0	41	-1.0	-40.98	316.76	4.10	-36.88
COC(CC(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645062	1	41	-1.0	-40.95	316.93	4.09	-36.86
O=C(C1CCC2CC2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645063	0	39	-1.0	-40.17	296.83	5.15	-35.02
O=C(C1CCC2CC2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645063	1	39	-1.0	-40.19	297.00	5.16	-35.03
CC1=C(F)C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645064	0	35	-1.0	-42.09	287.24	4.73	-37.36
CC1=C(F)C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645064	1	35	-1.0	-42.05	287.41	4.72	-37.33
CN1C=NC=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645065	0	36	-1.0	-45.54	297.35	4.72	-40.82
CN1C=NC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645065	1	36	-1.0	-45.50	297.51	4.72	-40.78
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1(F)F	REAL250004645066	0	32	-1.0	-41.43	268.24	3.28	-38.15
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1(F)F	REAL250004645066	1	32	-1.0	-41.35	268.41	3.28	-38.07
CN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004645067	0	39	-1.0	-43.44	304.74	2.49	-40.95
CN1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004645067	1	39	-1.0	-43.40	304.91	2.49	-40.91
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004645068	0	38	-1.0	-43.57	304.97	3.56	-40.01
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004645068	1	38	-1.0	-43.57	305.13	3.56	-40.01
C=CC(=O)N(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645069	0	36	-1.0	-50.87	296.93	2.66	-48.21
C=CC(=O)N(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645069	1	36	-1.0	-50.84	297.09	2.65	-48.19
O=C(CC1=NN=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645070	0	31	-1.0	-52.38	261.25	2.53	-49.85
O=C(CC1=NN=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645070	1	31	-1.0	-52.35	261.42	2.52	-49.83
COC1=NSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645071	0	32	-1.0	-38.64	281.27	-0.05	-38.69
COC1=NSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645071	1	32	-1.0	-38.63	281.43	-0.06	-38.69
O=C(C(F)=C1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645072	0	33	-1.0	-39.62	269.52	4.08	-35.54
O=C(C(F)=C1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645072	1	33	-1.0	-39.59	269.68	4.08	-35.51
CNC1=CN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004645073	0	35	-1.0	-43.07	287.70	0.93	-42.14
CNC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004645073	1	35	-1.0	-43.05	287.86	0.92	-42.13
CC1CCCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645074	0	41	-1.0	-39.52	296.02	4.82	-34.70
CC1CCCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645074	1	41	-1.0	-39.47	296.18	4.81	-34.66
NC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004645075	0	33	-1.0	-50.84	278.41	3.50	-47.34
NC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004645075	1	33	-1.0	-50.79	278.58	3.50	-47.29
O=C(C1CCCC(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645076	0	38	-1.0	-40.54	293.50	4.56	-35.98
O=C(C1CCCC(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645076	1	38	-1.0	-40.46	293.66	4.55	-35.91
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1(F)Cl	REAL250004645077	0	32	-1.0	-42.47	276.04	3.71	-38.76
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1(F)Cl	REAL250004645077	1	32	-1.0	-42.45	276.20	3.71	-38.74
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1F	REAL250004645078	0	32	-1.0	-38.86	261.46	3.21	-35.65
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1F	REAL250004645078	1	32	-1.0	-38.84	261.63	3.21	-35.63
C=C(C)C(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645079	0	38	-1.0	-40.25	282.68	3.75	-36.50
C=C(C)C(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645079	1	38	-1.0	-40.18	282.85	3.75	-36.43
CN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC1=O	REAL250004645080	0	35	-1.0	-47.77	284.49	-0.26	-48.03
CN1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC1=O	REAL250004645080	1	35	-1.0	-47.77	284.67	-0.26	-48.03
CCC(CC)(CO)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645081	0	41	-1.0	-43.46	297.45	0.50	-42.96
CCC(CC)(CO)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645081	1	41	-1.0	-43.43	297.62	0.49	-42.94
CC1=C(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645082	0	42	-1.0	-39.71	318.44	5.65	-34.06
CC1=C(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645082	1	42	-1.0	-39.65	318.60	5.64	-34.01
O=C(C1=CN2CCCC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645083	0	36	-1.0	-46.98	289.56	4.54	-42.44
O=C(C1=CN2CCCC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645083	1	36	-1.0	-46.93	289.73	4.53	-42.40
CON1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645084	0	41	-1.0	-41.18	319.01	2.32	-38.86
CON1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645084	1	41	-1.0	-41.21	319.18	2.31	-38.90
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=NC=C1	REAL250004645086	0	37	-1.0	-42.84	296.68	3.68	-39.16
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=NC=C1	REAL250004645086	1	37	-1.0	-42.77	296.85	3.68	-39.09
O=C(C1CC2(CCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645087	0	39	-1.0	-40.44	302.57	5.18	-35.26
O=C(C1CC2(CCC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645087	1	39	-1.0	-40.33	302.73	5.18	-35.15
COC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645088	0	35	-1.0	-44.06	287.70	2.46	-41.60
COC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645088	1	35	-1.0	-44.04	287.87	2.47	-41.57
CCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645089	0	35	-1.0	-44.84	287.10	3.32	-41.52
CCN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645089	1	35	-1.0	-44.87	287.27	3.31	-41.56
O=C(C=CC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645090	0	39	-1.0	-40.38	306.44	5.39	-34.99
O=C(C=CC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645090	1	39	-1.0	-40.33	306.60	5.38	-34.95
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645091	0	33	-1.0	-39.26	268.94	1.97	-37.29
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645091	1	33	-1.0	-39.19	269.11	1.97	-37.22
O=C(C1CCC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645092	0	34	-1.0	-41.88	271.25	2.89	-38.99
O=C(C1CCC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645092	1	34	-1.0	-41.84	271.42	2.89	-38.95
COCC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645094	0	39	-1.0	-40.23	311.97	3.25	-36.98
COCC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645094	1	39	-1.0	-40.18	312.14	3.24	-36.94
CN1C=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645095	0	35	-1.0	-49.38	290.01	2.86	-46.52
CN1C=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645095	1	35	-1.0	-49.33	290.18	2.86	-46.47
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CF)CCC1	REAL250004645096	0	35	-1.0	-38.86	270.79	3.56	-35.30
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CF)CCC1	REAL250004645096	1	35	-1.0	-38.78	270.96	3.56	-35.22
C=CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645097	0	35	-1.0	-44.00	295.52	2.39	-41.61
C=CCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645097	1	35	-1.0	-43.93	295.68	2.38	-41.55
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645098	0	44	-1.0	-40.60	337.34	6.02	-34.58
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645098	1	44	-1.0	-40.57	337.52	6.02	-34.55
CC1=NOC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645099	0	31	-1.0	-42.29	260.99	2.32	-39.97
CC1=NOC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645099	1	31	-1.0	-42.20	261.15	2.32	-39.88
O=C(C1CS(=O)(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645100	0	32	-1.0	-47.00	272.76	-0.75	-47.75
O=C(C1CS(=O)(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645100	1	32	-1.0	-46.96	272.93	-0.75	-47.71
O=C(C1CCCNC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645101	0	36	-1.0	-47.60	284.46	1.65	-45.95
O=C(C1CCCNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645101	1	36	-1.0	-47.58	284.63	1.65	-45.93
CN1C(=O)NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645102	0	33	-1.0	-45.32	279.36	0.94	-44.38
CN1C(=O)NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645102	1	33	-1.0	-45.25	279.53	0.94	-44.31
CCC=C(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645103	0	32	-1.0	-38.90	263.98	3.42	-35.48
CCC=C(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645103	1	32	-1.0	-38.88	264.14	3.42	-35.46
O=C(CC1CSC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645104	0	33	-1.0	-43.64	275.65	3.81	-39.83
O=C(CC1CSC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645104	1	33	-1.0	-43.59	275.82	3.81	-39.78
COC1=NN(C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645105	0	36	-1.0	-49.76	300.24	-0.16	-49.92
COC1=NN(C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645105	1	36	-1.0	-49.71	300.41	-0.16	-49.87
CSC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004645106	0	33	-1.0	-43.51	288.22	3.37	-40.14
CSC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004645106	1	33	-1.0	-43.48	288.39	3.36	-40.12
C#CCN1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645108	0	39	-1.0	-44.01	313.20	2.68	-41.33
C#CCN1CCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645108	1	39	-1.0	-44.01	313.37	2.67	-41.34
O=C(C1=CC=CC(C2CC2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645109	0	39	-1.0	-42.28	311.92	6.15	-36.13
O=C(C1=CC=CC(C2CC2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645109	1	39	-1.0	-42.23	312.09	6.16	-36.07
COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645110	0	33	-1.0	-39.36	277.34	2.65	-36.71
COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645110	1	33	-1.0	-39.28	277.50	2.65	-36.63
CC(C)(C)N1CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645111	1	43	-1.0	-37.86	298.28	0.91	-36.95
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC=N1	REAL250004645113	0	32	-1.0	-41.87	268.47	2.30	-39.57
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC=N1	REAL250004645113	1	32	-1.0	-41.83	268.63	2.29	-39.54
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC=N1	REAL250004645114	0	35	-1.0	-41.29	288.82	2.95	-38.34
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC=N1	REAL250004645114	1	35	-1.0	-41.26	288.99	2.95	-38.31
COC(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645115	0	33	-1.0	-41.73	263.23	1.21	-40.52
COC(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645115	1	33	-1.0	-41.68	263.39	1.21	-40.47
CN1C(Cl)=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645116	0	32	-1.0	-40.23	277.98	2.88	-37.35
CN1C(Cl)=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645116	1	32	-1.0	-40.23	278.15	2.87	-37.36
N#CCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645117	0	35	-1.0	-45.46	291.81	4.19	-41.27
N#CCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645117	1	35	-1.0	-45.40	291.98	4.19	-41.21
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CF)CC1	REAL250004645118	0	32	-1.0	-40.34	261.42	3.31	-37.03
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CF)CC1	REAL250004645118	1	32	-1.0	-40.28	261.59	3.30	-36.98
CC(=CC1=CC=NC=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645119	0	38	-1.0	-41.81	311.01	4.28	-37.53
CC(=CC1=CC=NC=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645119	1	38	-1.0	-41.76	311.18	4.27	-37.49
CC(=CC1=CC=CC=N1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645120	0	38	-1.0	-43.68	303.38	5.03	-38.65
CC(=CC1=CC=CC=N1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645120	1	38	-1.0	-43.67	303.55	5.02	-38.65
CC(=CC1=CC=CN=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645121	0	38	-1.0	-42.09	310.64	4.28	-37.81
CC(=CC1=CC=CN=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645121	1	38	-1.0	-42.09	310.80	4.27	-37.82
CC(=CC1=CC=CO1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645122	0	36	-1.0	-42.47	295.93	4.45	-38.02
CC(=CC1=CC=CO1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645122	1	36	-1.0	-42.45	296.09	4.44	-38.01
O=C(C1=COC(CO)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645123	0	33	-1.0	-44.06	276.74	-0.43	-44.49
O=C(C1=COC(CO)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645123	1	33	-1.0	-44.03	276.90	-0.43	-44.46
O=C(C1CSC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645124	0	30	-1.0	-39.83	253.68	2.98	-36.85
O=C(C1CSC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645124	1	30	-1.0	-39.75	253.84	2.98	-36.77
C[C@H]1CC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645125	0	41	-1.0	-40.42	310.05	5.16	-35.26
C[C@H]1CC[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645125	1	41	-1.0	-40.35	310.21	5.16	-35.19
CCC(CO)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645128	0	35	-1.0	-39.96	277.81	0.00	-39.96
CCC(CO)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645128	1	35	-1.0	-39.93	277.98	0.00	-39.93
O=C(CNC1=CC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645129	0	36	-1.0	-44.26	295.69	2.47	-41.79
O=C(CNC1=CC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645129	1	36	-1.0	-44.19	295.86	2.46	-41.73
O=C([C@@H]1C[C@H]1C1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645130	0	39	-1.0	-40.74	307.65	5.61	-35.13
O=C([C@@H]1C[C@H]1C1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645130	1	39	-1.0	-40.65	307.81	5.61	-35.04
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645131	0	40	-1.0	-41.30	296.69	5.18	-36.12
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645131	1	40	-1.0	-41.28	296.86	5.17	-36.11
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004645132	0	38	-1.0	-42.07	305.53	5.05	-37.02
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004645132	1	38	-1.0	-42.05	305.69	5.05	-37.00
CCN1C=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645133	0	38	-1.0	-49.14	311.55	3.73	-45.41
CCN1C=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645133	1	38	-1.0	-49.11	311.72	3.73	-45.38
O=C(N1CCN(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1COC2	REAL250004645134	0	34	-1.0	-41.51	270.13	1.87	-39.64
O=C(N1CCN(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1COC2	REAL250004645134	1	34	-1.0	-41.45	270.30	1.86	-39.59
CCC1=NOC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645135	0	34	-1.0	-42.20	282.48	3.06	-39.14
CCC1=NOC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645135	1	34	-1.0	-42.14	282.65	3.07	-39.07
CC(=O)NCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645136	0	41	-1.0	-49.41	313.93	1.40	-48.01
CC(=O)NCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645136	1	41	-1.0	-49.40	314.10	1.39	-48.01
O=C(C1CC1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645137	0	42	-1.0	-40.86	320.02	6.01	-34.85
O=C(C1CC1C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645137	1	42	-1.0	-40.84	320.19	6.00	-34.84
CSCC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645138	0	39	-1.0	-39.72	322.16	5.33	-34.39
CSCC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645138	1	39	-1.0	-39.71	322.32	5.32	-34.39
CCCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645139	0	40	-1.0	-40.79	294.18	4.08	-36.71
CCCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645139	1	40	-1.0	-40.76	294.35	4.07	-36.69
CC1(C)OCC2CC21C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645140	0	40	-1.0	-39.37	303.20	2.84	-36.53
CC1(C)OCC2CC21C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645140	1	40	-1.0	-39.33	303.36	2.83	-36.50
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004645141	0	41	-1.0	-39.87	310.91	5.06	-34.81
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004645141	1	41	-1.0	-39.82	311.07	5.06	-34.76
O=C(C1=C2C=CNC2=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645142	0	34	-1.0	-45.26	282.01	4.05	-41.21
O=C(C1=C2C=CNC2=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645142	1	34	-1.0	-45.25	282.18	4.04	-41.21
CN1C=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645143	0	35	-1.0	-48.00	297.49	2.13	-45.87
CN1C=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645143	1	35	-1.0	-47.98	297.65	2.13	-45.85
CNC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL250004645144	0	33	-1.0	-42.66	284.99	1.96	-40.70
CNC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004645144	1	33	-1.0	-42.68	285.16	1.96	-40.72
O=C(C1CC2(CC2(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645145	0	36	-1.0	-40.95	299.87	4.92	-36.03
O=C(C1CC2(CC2(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645145	1	36	-1.0	-40.96	300.03	4.92	-36.04
CSC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645146	0	35	-1.0	-42.57	275.22	3.15	-39.42
CSC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645146	1	35	-1.0	-42.50	275.39	3.17	-39.33
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(N2C=NN=N2)CC1	REAL250004645147	0	34	-1.0	-43.80	287.61	2.63	-41.17
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(N2C=NN=N2)CC1	REAL250004645147	1	34	-1.0	-43.77	287.78	2.63	-41.14
CC(C)(O)C(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645148	0	36	-1.0	-41.97	276.59	-1.57	-43.54
CC(C)(O)C(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645148	1	36	-1.0	-41.96	276.75	-1.56	-43.52
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(=O)C1	REAL250004645149	0	34	-1.0	-40.88	271.10	2.63	-38.25
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(=O)C1	REAL250004645149	1	34	-1.0	-40.86	271.27	2.63	-38.23
CCC(O)C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645150	0	38	-1.0	-43.82	296.23	0.80	-43.02
CCC(O)C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645150	1	38	-1.0	-43.78	296.40	0.79	-42.99
CCC1=CNC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645151	0	38	-1.0	-48.44	309.94	3.19	-45.25
CCC1=CNC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645151	1	38	-1.0	-48.38	310.11	3.19	-45.19
O=C(C1CC2CC2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645152	0	36	-1.0	-40.09	279.27	4.61	-35.48
O=C(C1CC2CC2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645152	1	36	-1.0	-40.05	279.43	4.62	-35.43
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL250004645153	0	36	-1.0	-41.30	296.56	4.46	-36.84
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL250004645153	1	36	-1.0	-41.29	296.73	4.46	-36.83
CC=CC(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645154	0	33	-1.0	-40.18	268.02	1.12	-39.06
CC=CC(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645154	1	33	-1.0	-40.15	268.19	1.12	-39.03
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCNC1=O	REAL250004645155	0	36	-1.0	-42.02	275.64	-0.21	-42.23
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCNC1=O	REAL250004645155	1	36	-1.0	-41.92	275.81	-0.21	-42.13
CC1=CC=NC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645156	0	37	-1.0	-43.58	300.31	3.88	-39.70
CC1=CC=NC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645156	1	37	-1.0	-43.51	300.48	3.88	-39.63
O=C(C1=CC=NN1C(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645157	0	32	-1.0	-42.47	271.49	2.04	-40.43
O=C(C1=CC=NN1C(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645157	1	32	-1.0	-42.40	271.66	2.03	-40.37
O=C(C1CCCC2CC21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645158	0	39	-1.0	-40.46	294.71	5.12	-35.34
O=C(C1CCCC2CC21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645158	1	39	-1.0	-40.41	294.88	5.11	-35.30
O=C(C1=CC=C(CF)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645159	0	35	-1.0	-42.95	290.83	4.90	-38.05
O=C(C1=CC=C(CF)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645159	1	35	-1.0	-42.91	291.00	4.89	-38.02
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCOC1	REAL250004645160	0	40	-1.0	-42.86	306.31	1.72	-41.14
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCOC1	REAL250004645160	1	40	-1.0	-42.79	306.48	1.72	-41.07
O=C(CCC1CC1(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645161	0	35	-1.0	-44.50	294.08	4.63	-39.87
O=C(CCC1CC1(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645161	1	35	-1.0	-44.49	294.24	4.63	-39.86
COCCCOCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645162	0	42	-1.0	-41.59	338.66	2.03	-39.56
COCCCOCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645162	1	42	-1.0	-41.57	338.83	2.03	-39.54
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=C1	REAL250004645163	0	35	-1.0	-44.01	289.32	3.90	-40.11
CC1=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=C1	REAL250004645163	1	35	-1.0	-43.97	289.48	3.90	-40.07
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004645164	0	38	-1.0	-48.00	293.54	3.17	-44.83
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004645164	1	38	-1.0	-47.96	293.71	3.16	-44.80
O=C(C1=CN=C2CCCN12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645165	0	36	-1.0	-41.14	286.33	3.89	-37.25
O=C(C1=CN=C2CCCN12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645165	1	36	-1.0	-41.11	286.50	3.88	-37.23
CCCCC(C)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645166	0	40	-1.0	-40.09	308.63	4.69	-35.40
CCCCC(C)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645166	1	40	-1.0	-40.10	308.79	4.68	-35.42
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(N)=N1	REAL250004645167	0	35	-1.0	-40.19	287.72	0.92	-39.27
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(N)=N1	REAL250004645167	1	35	-1.0	-40.17	287.89	0.92	-39.25
O=C(C1=CC=C(C2CC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645169	0	39	-1.0	-41.39	312.04	6.18	-35.21
O=C(C1=CC=C(C2CC2)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645169	1	39	-1.0	-41.34	312.21	6.17	-35.17
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004645170	0	42	-1.0	-42.00	311.78	4.08	-37.92
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004645170	1	42	-1.0	-41.90	311.95	4.07	-37.83
CC(CC1=CC=CO1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645171	0	38	-1.0	-41.22	305.48	4.35	-36.87
CC(CC1=CC=CO1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645171	1	38	-1.0	-41.23	305.64	4.35	-36.88
CC1(C)CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645172	0	38	-1.0	-39.99	287.00	4.31	-35.68
CC1(C)CCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645172	1	38	-1.0	-39.98	287.16	4.30	-35.68
CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645173	0	39	-1.0	-43.40	293.49	3.88	-39.52
CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645173	1	39	-1.0	-43.35	293.66	3.87	-39.48
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCO1	REAL250004645174	0	42	-1.0	-40.61	320.02	3.78	-36.83
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCO1	REAL250004645174	1	42	-1.0	-40.54	320.19	3.77	-36.77
O=C(C1=CN(C2CC2)N=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645175	0	35	-1.0	-43.56	291.30	2.54	-41.02
O=C(C1=CN(C2CC2)N=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645175	1	35	-1.0	-43.56	291.46	2.53	-41.03
CC(F)(F)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645176	0	35	-1.0	-37.60	284.02	3.94	-33.66
CC(F)(F)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645176	1	35	-1.0	-37.53	284.18	3.93	-33.60
O=C(COCC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645177	0	32	-1.0	-49.35	275.55	2.78	-46.57
O=C(COCC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645177	1	32	-1.0	-49.30	275.72	2.78	-46.52
CCCC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645178	0	35	-1.0	-41.20	283.05	4.24	-36.96
CCCC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645178	1	35	-1.0	-41.13	283.22	4.24	-36.89
CC1=CCC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645179	0	42	-1.0	-40.54	307.45	4.97	-35.57
CC1=CCC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645179	1	42	-1.0	-40.51	307.61	4.97	-35.54
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645180	0	42	-1.0	-39.90	328.85	3.91	-35.99
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645180	1	42	-1.0	-39.83	329.01	3.91	-35.92
O=C(C1=NC=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645181	0	31	-1.0	-45.67	264.53	3.12	-42.55
O=C(C1=NC=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645181	1	31	-1.0	-45.65	264.70	3.11	-42.54
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645182	0	31	-1.0	-40.68	261.51	-0.07	-40.75
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645182	1	31	-1.0	-40.68	261.68	-0.08	-40.76
CC1=COC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645183	0	32	-1.0	-43.62	264.98	2.90	-40.72
CC1=COC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645183	1	32	-1.0	-43.58	265.15	2.90	-40.68
COCC(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645184	0	36	-1.0	-41.61	291.16	1.24	-40.37
COCC(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645184	1	36	-1.0	-41.57	291.33	1.23	-40.34
C[C@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)N(C)C	REAL250004645187	1	36	-1.0	-41.53	277.73	0.86	-40.67
CCC(C)(C)C(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645188	0	41	-1.0	-40.20	296.61	2.29	-37.91
CCC(C)(C)C(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645188	1	41	-1.0	-40.15	296.77	2.30	-37.85
O=C(C1=CN=C(C2CC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645189	0	35	-1.0	-42.73	291.92	1.26	-41.47
O=C(C1=CN=C(C2CC2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645189	1	35	-1.0	-42.72	292.09	1.27	-41.45
CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)O1	REAL250004645190	0	34	-1.0	-51.07	292.32	-0.09	-51.16
CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(=O)O1	REAL250004645190	1	34	-1.0	-51.04	292.48	-0.10	-51.14
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL250004645191	0	38	-1.0	-41.00	306.79	4.60	-36.40
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL250004645191	1	38	-1.0	-40.93	306.96	4.60	-36.33
CN1CCC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004645192	0	39	-1.0	-45.46	297.42	2.09	-43.37
CN1CCC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004645192	1	39	-1.0	-45.43	297.59	2.09	-43.34
CN1CC(O)CC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645193	1	41	-1.0	-41.56	295.60	-1.96	-43.52
CCCC(OCC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645194	0	41	-1.0	-41.49	321.34	4.52	-36.97
CCCC(OCC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645194	1	41	-1.0	-41.46	321.51	4.51	-36.95
COC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645195	0	36	-1.0	-40.53	286.95	2.31	-38.22
COC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645195	1	36	-1.0	-40.53	287.11	2.30	-38.23
CCOC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004645196	0	39	-1.0	-42.42	306.05	4.46	-37.96
CCOC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004645196	1	39	-1.0	-42.38	306.21	4.46	-37.92
O=C(C=CC1=CC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645197	0	33	-1.0	-41.47	287.03	4.69	-36.78
O=C(C=CC1=CC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645197	1	33	-1.0	-41.39	287.20	4.69	-36.70
O=C(C1=CN(C2CC2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645198	0	36	-1.0	-43.23	294.96	3.32	-39.91
O=C(C1=CN(C2CC2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645198	1	36	-1.0	-43.18	295.13	3.31	-39.87
O=C([C@@H]1COC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645199	0	31	-1.0	-48.43	259.21	-1.39	-49.82
O=C([C@@H]1COC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645199	1	31	-1.0	-48.36	259.37	-1.39	-49.75
O=C(CC1=CSC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645200	0	31	-1.0	-44.83	271.50	2.30	-42.53
O=C(CC1=CSC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645200	1	31	-1.0	-44.78	271.67	2.29	-42.49
O=C(C1CCCC2(CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645201	0	42	-1.0	-40.40	320.17	5.83	-34.57
O=C(C1CCCC2(CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645201	1	42	-1.0	-40.36	320.33	5.83	-34.53
CCCN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645202	0	38	-1.0	-41.04	304.18	3.45	-37.59
CCCN1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645202	1	38	-1.0	-41.03	304.35	3.45	-37.58
CC1=CN=CN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645203	0	35	-1.0	-46.48	290.09	4.63	-41.85
CC1=CN=CN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645203	1	35	-1.0	-46.50	289.92	4.64	-41.86
CN1N=CC(Cl)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645204	0	32	-1.0	-38.42	286.36	2.47	-35.95
CN1N=CC(Cl)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645204	1	32	-1.0	-38.43	286.52	2.46	-35.97
CCOC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004645205	0	39	-1.0	-38.90	303.13	3.40	-35.50
CCOC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004645205	1	39	-1.0	-38.86	303.29	3.39	-35.47
CCC(F)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645206	0	31	-1.0	-37.38	257.33	2.88	-34.50
CCC(F)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645206	1	31	-1.0	-37.33	257.49	2.88	-34.45
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004645207	0	39	-1.0	-42.77	295.65	3.61	-39.16
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004645207	1	39	-1.0	-42.79	295.82	3.60	-39.19
CCCCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645208	0	46	-1.0	-39.94	332.07	5.96	-33.98
CCCCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645208	1	46	-1.0	-39.92	332.24	5.96	-33.96
CCN1C=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645209	0	35	-1.0	-45.92	287.43	5.10	-40.82
CCN1C=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645209	1	35	-1.0	-45.89	287.59	5.10	-40.79
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645210	0	34	-1.0	-39.97	273.53	2.24	-37.73
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645210	1	34	-1.0	-39.95	273.70	2.23	-37.72
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645211	0	36	-1.0	-40.07	281.51	4.69	-35.38
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645211	1	36	-1.0	-40.03	281.68	4.68	-35.35
O=C(C1CCC2(CC2)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645212	0	42	-1.0	-40.27	320.31	5.81	-34.46
O=C(C1CCC2(CC2)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645212	1	42	-1.0	-40.29	320.48	5.81	-34.48
CN1C=C(Cl)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645213	0	32	-1.0	-45.18	280.93	2.99	-42.19
CN1C=C(Cl)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645213	1	32	-1.0	-45.13	281.10	2.98	-42.15
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O=C(C1=C(Cl)SC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645214	1	29	-1.0	-42.67	270.20	3.64	-39.03
CC1=NC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645215	0	33	-1.0	-43.14	276.49	1.16	-41.98
CC1=NC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645215	1	33	-1.0	-43.15	276.66	1.15	-42.00
C=C1CC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645216	0	36	-1.0	-39.75	281.51	4.04	-35.71
C=C1CC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645216	1	36	-1.0	-39.70	281.68	4.04	-35.66
O=C(C1CC2(CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645217	0	36	-1.0	-40.38	286.06	4.72	-35.66
O=C(C1CC2(CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645217	1	36	-1.0	-40.32	286.23	4.72	-35.60
CN1C=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645218	0	37	-1.0	-47.94	306.19	2.40	-45.54
CN1C=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645218	1	37	-1.0	-47.89	306.36	2.40	-45.49
O=C(C1=CC(Cl)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645219	0	28	-1.0	-37.25	255.97	2.01	-35.24
O=C(C1=CC(Cl)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645219	1	28	-1.0	-37.21	256.14	2.02	-35.19
O=C([C@H]1COC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645220	0	31	-1.0	-48.41	259.18	-1.38	-49.79
O=C([C@H]1COC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645220	1	31	-1.0	-48.35	259.34	-1.38	-49.73
CN1C(=O)NCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645221	0	35	-1.0	-47.50	282.73	-0.27	-47.77
CN1C(=O)NCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645221	1	35	-1.0	-47.48	282.90	-0.27	-47.75
C[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)N(C)C	REAL250004645222	1	36	-1.0	-40.42	271.15	0.53	-39.89
CCC(C)(C)C(=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645223	0	39	-1.0	-37.71	296.74	3.47	-34.24
CCC(C)(C)C(=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645223	1	39	-1.0	-37.67	296.91	3.46	-34.21
O=C([C@H]1C[C@@H](O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645224	0	33	-1.0	-44.51	265.21	-0.07	-44.58
O=C([C@H]1C[C@@H](O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645224	1	33	-1.0	-44.52	265.38	-0.08	-44.60
CC1CN(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645225	0	41	-1.0	-41.99	315.98	1.39	-40.60
CC1CN(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645225	1	41	-1.0	-42.01	315.81	1.40	-40.61
O=C(C=CCN1C=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645227	0	35	-1.0	-49.95	297.19	5.13	-44.82
O=C(C=CCN1C=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645227	1	35	-1.0	-49.89	297.35	5.12	-44.77
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645228	0	36	-1.0	-47.73	296.69	4.04	-43.69
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645228	1	36	-1.0	-47.65	296.86	4.03	-43.62
CC1=CC=NN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645229	0	35	-1.0	-47.58	289.14	2.95	-44.63
CC1=CC=NN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645229	1	35	-1.0	-47.54	289.31	2.94	-44.60
CC(Cl)=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645230	0	29	-1.0	-42.64	252.79	3.21	-39.43
CC(Cl)=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645230	1	29	-1.0	-42.59	252.96	3.21	-39.38
CC1=C(CO)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645231	0	36	-1.0	-44.41	297.92	0.53	-43.88
CC1=C(CO)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645231	1	36	-1.0	-44.38	298.09	0.52	-43.86
CN1C=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004645233	0	34	-1.0	-49.60	282.86	3.48	-46.12
CN1C=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004645233	1	34	-1.0	-49.55	283.03	3.48	-46.07
CN1CCOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004645234	0	37	-1.0	-45.94	293.25	1.41	-44.53
CN1CCOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004645234	1	37	-1.0	-45.89	293.42	1.41	-44.48
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=N2)CC1	REAL250004645235	0	38	-1.0	-40.41	308.16	4.51	-35.90
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=N2)CC1	REAL250004645235	1	38	-1.0	-40.36	308.32	4.50	-35.86
CC1=NN=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645237	0	36	-1.0	-44.34	301.52	-1.16	-45.50
CC1=NN=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645237	1	36	-1.0	-44.28	301.68	-1.16	-45.44
O=C(C1=NN=C(C2CC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645238	0	34	-1.0	-40.98	287.75	-0.19	-41.17
O=C(C1=NN=C(C2CC2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645238	1	34	-1.0	-40.96	287.92	-0.20	-41.16
O=C(C1=CC(F)=CNC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645239	0	32	-1.0	-53.11	278.30	1.24	-51.87
O=C(C1=CC(F)=CNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645239	1	32	-1.0	-53.09	278.46	1.24	-51.85
C#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004645240	0	34	-1.0	-41.89	290.89	5.30	-36.59
C#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004645240	1	34	-1.0	-41.86	291.05	5.29	-36.57
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOC1	REAL250004645241	0	34	-1.0	-42.17	274.02	1.05	-41.12
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOC1	REAL250004645241	1	34	-1.0	-42.14	274.18	1.04	-41.10
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CN=CC=N1	REAL250004645242	0	36	-1.0	-44.89	290.99	1.62	-43.27
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CN=CC=N1	REAL250004645242	1	36	-1.0	-44.82	291.15	1.61	-43.21
O=C(C1=C(F)C=NC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645243	0	31	-1.0	-41.46	275.16	2.62	-38.84
O=C(C1=C(F)C=NC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645243	1	31	-1.0	-41.38	275.33	2.61	-38.77
O=C(C1=CSN=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645244	0	28	-1.0	-43.32	263.47	2.24	-41.08
O=C(C1=CSN=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645244	1	28	-1.0	-43.31	263.64	2.23	-41.08
O=C(CCOC1COC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645245	0	37	-1.0	-41.33	301.29	0.74	-40.59
O=C(CCOC1COC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645245	1	37	-1.0	-41.28	301.46	0.74	-40.54
O=C(C1=CSC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645246	0	29	-1.0	-43.24	270.19	3.62	-39.62
O=C(C1=CSC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645246	1	29	-1.0	-43.21	270.36	3.62	-39.59
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004645247	0	46	-1.0	-40.03	327.38	5.41	-34.62
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004645247	1	46	-1.0	-39.99	327.55	5.42	-34.57
O=C(C1=CC=C(C(F)F)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645248	0	32	-1.0	-40.30	278.98	3.42	-36.88
O=C(C1=CC=C(C(F)F)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645248	1	32	-1.0	-40.28	279.14	3.42	-36.86
O=C(C1=C(C(F)F)N=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645249	0	31	-1.0	-44.13	268.81	-0.04	-44.17
O=C(C1=C(C(F)F)N=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645249	1	31	-1.0	-44.09	268.98	-0.05	-44.14
NC(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645250	0	32	-1.0	-43.21	265.64	-1.05	-44.26
NC(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645250	1	32	-1.0	-43.17	265.81	-1.04	-44.21
O=C(CN1CCOC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645251	0	34	-1.0	-53.99	283.26	1.90	-52.09
O=C(CN1CCOC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645251	1	34	-1.0	-53.94	283.43	1.89	-52.05
O=C(CCCN1C=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645252	0	37	-1.0	-50.35	306.65	5.34	-45.01
O=C(CCCN1C=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645252	1	37	-1.0	-50.30	306.82	5.34	-44.96
O=C(CN1CCNC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645253	0	38	-1.0	-45.58	300.86	-1.52	-47.10
O=C(CN1CCNC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645253	1	38	-1.0	-45.52	301.02	-1.53	-47.05
CCCC=CC(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645254	0	39	-1.0	-40.47	308.74	2.58	-37.89
CCCC=CC(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645254	1	39	-1.0	-40.41	308.91	2.57	-37.84
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(Cl)=NN1	REAL250004645255	0	32	-1.0	-44.42	286.30	1.72	-42.70
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(Cl)=NN1	REAL250004645255	1	32	-1.0	-44.38	286.47	1.72	-42.66
CC1=NC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645256	0	34	-1.0	-46.62	285.42	0.73	-45.89
CC1=NC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645256	1	34	-1.0	-46.57	285.59	0.72	-45.85
O=C(CC1=CON=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645257	0	31	-1.0	-44.64	262.96	2.51	-42.13
O=C(CC1=CON=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645257	1	31	-1.0	-44.62	263.12	2.51	-42.11
O=C(C1=CC=NC2=CC=NN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645258	0	34	-1.0	-49.54	289.88	3.01	-46.53
O=C(C1=CC=NC2=CC=NN21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645258	1	34	-1.0	-49.52	290.04	3.01	-46.51
O=C(C1=NC=CN=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645260	0	30	-1.0	-44.20	267.93	1.58	-42.62
O=C(C1=NC=CN=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645260	1	30	-1.0	-44.16	268.09	1.57	-42.59
O=C(C1=NC2=CC=NN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645261	0	34	-1.0	-42.66	285.06	3.87	-38.79
O=C(C1=NC2=CC=NN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645261	1	34	-1.0	-42.60	285.23	3.86	-38.74
CN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N(C)C1=O	REAL250004645262	0	36	-1.0	-45.79	301.76	2.98	-42.81
CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N(C)C1=O	REAL250004645262	1	36	-1.0	-45.77	301.93	2.97	-42.80
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1C	REAL250004645263	0	35	-1.0	-43.18	280.70	2.96	-40.22
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1C	REAL250004645263	1	35	-1.0	-43.17	280.86	2.95	-40.22
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645264	0	33	-1.0	-46.39	273.06	-0.41	-46.80
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645264	1	33	-1.0	-46.33	273.23	-0.42	-46.75
CCOC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645267	0	41	-1.0	-42.51	312.97	4.15	-38.36
CCOC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645267	1	41	-1.0	-42.40	313.14	4.15	-38.25
CC(=O)N[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645268	0	41	-1.0	-41.59	314.44	1.81	-39.78
CC(=O)N[C@@H](C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645268	1	41	-1.0	-41.49	314.61	1.80	-39.69
CC(C)[C@H](NC=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645269	0	38	-1.0	-41.65	293.13	1.15	-40.50
CC(C)[C@H](NC=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645269	1	38	-1.0	-41.60	293.29	1.14	-40.46
CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645270	0	39	-1.0	-53.29	303.52	3.89	-49.40
CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645270	1	39	-1.0	-53.28	303.69	3.89	-49.39
CN(C)C(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645271	0	38	-1.0	-42.99	304.93	2.40	-40.59
CN(C)C(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645271	1	38	-1.0	-42.94	305.10	2.40	-40.54
CC1=CC=CC(O)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645272	0	36	-1.0	-43.52	297.80	2.00	-41.52
CC1=CC=CC(O)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645272	1	36	-1.0	-43.49	297.96	2.00	-41.49
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645273	0	36	-1.0	-41.09	299.85	4.69	-36.40
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645273	1	36	-1.0	-41.05	300.02	4.68	-36.37
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645274	0	37	-1.0	-56.80	298.93	0.18	-56.62
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645274	1	37	-1.0	-56.78	299.10	0.19	-56.59
O=C(C1=CN(C2CC2)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645275	0	36	-1.0	-45.20	294.83	5.57	-39.63
O=C(C1=CN(C2CC2)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645275	1	36	-1.0	-44.93	295.34	5.59	-39.34
CCC(NC(C)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645276	0	38	-1.0	-41.73	296.98	0.96	-40.77
CCC(NC(C)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645276	1	38	-1.0	-41.70	297.14	0.95	-40.75
O=C([C@H]1CCC(=O)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645277	0	32	-1.0	-51.04	263.22	3.29	-47.75
O=C([C@H]1CCC(=O)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645277	1	32	-1.0	-51.02	263.38	3.29	-47.73
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2(CC2)C1	REAL250004645278	0	37	-1.0	-37.77	302.21	4.48	-33.29
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2(CC2)C1	REAL250004645278	1	37	-1.0	-37.72	302.38	4.49	-33.23
CN1C(=O)OCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645279	0	34	-1.0	-47.10	275.63	1.19	-45.91
CN1C(=O)OCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645279	1	34	-1.0	-47.05	275.80	1.18	-45.87
O=C(C1=NC=C2C=CC=CN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645280	0	35	-1.0	-46.46	287.83	5.45	-41.01
O=C(C1=NC=C2C=CC=CN21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645280	1	35	-1.0	-46.44	287.99	5.45	-40.99
CC(C)C1=NOC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645281	0	37	-1.0	-42.25	302.94	3.63	-38.62
CC(C)C1=NOC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645281	1	37	-1.0	-42.23	303.10	3.64	-38.59
CC1=CC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004645282	0	35	-1.0	-40.66	293.09	4.58	-36.08
CC1=CC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004645282	1	35	-1.0	-40.62	293.26	4.57	-36.05
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC1CCCC2	REAL250004645283	0	39	-1.0	-39.93	291.08	4.74	-35.19
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CC1CCCC2	REAL250004645283	1	39	-1.0	-39.85	291.25	4.74	-35.11
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C(F)F)CCC1	REAL250004645284	0	35	-1.0	-39.26	277.17	3.67	-35.59
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C(F)F)CCC1	REAL250004645284	1	35	-1.0	-39.19	277.33	3.67	-35.52
O=C(N1CCN(C2=NN=N[N-]2)CC1)[C@]12CCC[C@H]1OCC2	REAL250004645285	0	40	-1.0	-40.57	297.36	2.81	-37.76
O=C(N1CCN(C2=N[N-]N=N2)CC1)[C@]12CCC[C@H]1OCC2	REAL250004645285	1	40	-1.0	-40.51	297.53	2.80	-37.71
CC1OC(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1C	REAL250004645286	0	42	-1.0	-41.05	314.74	3.31	-37.74
CC1OC(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1C	REAL250004645286	1	42	-1.0	-41.02	314.91	3.30	-37.72
CCOC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645287	0	38	-1.0	-39.72	290.39	2.65	-37.07
CCOC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645287	1	38	-1.0	-39.68	290.56	2.65	-37.03
O=C(C1=COC(C(F)F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645288	0	32	-1.0	-41.74	278.47	3.20	-38.54
O=C(C1=COC(C(F)F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645288	1	32	-1.0	-41.71	278.64	3.20	-38.51
O=C(C1CC(C2CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645289	0	39	-1.0	-41.07	306.38	5.51	-35.56
O=C(C1CC(C2CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645289	1	39	-1.0	-41.01	306.55	5.51	-35.50
O=C(CC1=CN=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645290	0	32	-1.0	-47.59	267.39	2.61	-44.98
O=C(CC1=CN=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645290	1	32	-1.0	-47.58	267.56	2.60	-44.98
CC(=C(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004645291	0	36	-1.0	-40.95	295.65	4.71	-36.24
CC(=C(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004645291	1	36	-1.0	-40.92	295.82	4.71	-36.21
O=C([C@@H]1CCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645292	0	33	-1.0	-46.63	268.80	-0.08	-46.71
O=C([C@@H]1CCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645292	1	33	-1.0	-46.61	268.96	-0.09	-46.70
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCOCC1	REAL250004645293	0	36	-1.0	-39.89	279.96	1.96	-37.93
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCOCC1	REAL250004645293	1	36	-1.0	-39.87	280.13	1.96	-37.91
CC1C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1C1CC1	REAL250004645294	0	39	-1.0	-40.73	310.08	5.69	-35.04
CC1C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1C1CC1	REAL250004645294	1	39	-1.0	-40.71	310.25	5.68	-35.03
O=C(C1CCCC12CC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645295	0	39	-1.0	-40.21	294.71	5.44	-34.77
O=C(C1CCCC12CC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645295	1	39	-1.0	-40.15	294.88	5.43	-34.72
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2CCC1C2	REAL250004645296	0	42	-1.0	-40.69	300.64	4.95	-35.74
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2CCC1C2	REAL250004645296	1	42	-1.0	-40.63	300.81	4.94	-35.69
CCC(C#N)(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645297	0	38	-1.0	-42.70	291.70	3.26	-39.44
CCC(C#N)(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645297	1	38	-1.0	-42.64	291.87	3.26	-39.38
CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645298	0	39	-1.0	-53.21	307.03	2.72	-50.49
CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645298	1	39	-1.0	-53.17	307.18	2.72	-50.45
O=C(C1=CC=CN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645299	0	30	-1.0	-43.94	252.71	1.75	-42.19
O=C(C1=CC=CN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645299	1	30	-1.0	-43.92	252.87	1.74	-42.18
COC1=CC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645300	0	35	-1.0	-46.68	287.51	3.31	-43.37
COC1=CC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645300	1	35	-1.0	-46.67	287.68	3.30	-43.37
CC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)O1	REAL250004645301	0	39	-1.0	-40.36	301.50	2.82	-37.54
CC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)O1	REAL250004645301	1	39	-1.0	-40.34	301.67	2.82	-37.52
O=C(C1CC2CC1C1CC12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645302	0	40	-1.0	-41.21	296.85	5.39	-35.82
O=C(C1CC2CC1C1CC12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645302	1	40	-1.0	-41.19	297.01	5.40	-35.79
CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004645303	0	38	-1.0	-44.62	308.76	3.34	-41.28
CCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004645303	1	38	-1.0	-44.60	308.92	3.33	-41.27
N#CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004645304	0	35	-1.0	-47.38	303.83	3.63	-43.75
N#CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004645304	1	35	-1.0	-47.34	303.99	3.64	-43.70
O=C(C1=C2N=CC=CN2C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645305	0	34	-1.0	-56.69	285.44	5.44	-51.25
O=C(C1=C2N=CC=CN2C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645305	1	34	-1.0	-56.71	285.61	5.43	-51.28
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C(C)(C)C	REAL250004645306	0	46	-1.0	-40.28	325.23	5.11	-35.17
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C(C)(C)C	REAL250004645306	1	46	-1.0	-40.23	325.40	5.10	-35.13
COCC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645307	0	33	-1.0	-43.18	273.82	1.74	-41.44
COCC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645307	1	33	-1.0	-43.17	273.98	1.74	-41.43
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCNC1=O	REAL250004645308	0	39	-1.0	-45.53	293.05	0.24	-45.29
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCNC1=O	REAL250004645308	1	39	-1.0	-45.49	293.21	0.23	-45.26
CC1=CN=C(F)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645309	0	34	-1.0	-46.43	286.03	2.91	-43.52
CC1=CN=C(F)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645309	1	34	-1.0	-46.41	286.19	2.91	-43.50
CC1=CC(F)=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645310	0	34	-1.0	-39.46	282.66	2.81	-36.65
CC1=CC(F)=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645310	1	34	-1.0	-39.43	282.83	2.80	-36.63
COC1=NSC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645311	0	32	-1.0	-45.15	280.26	0.25	-44.90
COC1=NSC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645311	1	32	-1.0	-45.11	280.42	0.24	-44.87
N#CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004645312	0	30	-1.0	-41.54	264.34	2.61	-38.93
N#CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004645312	1	30	-1.0	-41.52	264.51	2.61	-38.91
O=C(C1=CN(C(F)F)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645313	0	32	-1.0	-43.50	277.81	1.93	-41.57
O=C(C1=CN(C(F)F)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645313	1	32	-1.0	-43.47	277.98	1.92	-41.55
CCOCCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645314	0	44	-1.0	-42.94	347.98	4.49	-38.45
CCOCCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645314	1	44	-1.0	-42.93	348.15	4.49	-38.44
NC1=CC=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645315	0	33	-1.0	-42.20	276.39	0.26	-41.94
NC1=CC=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645315	1	33	-1.0	-42.14	276.56	0.25	-41.89
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N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCOC1	REAL250004645316	1	37	-1.0	-43.77	290.79	1.73	-42.04
CC1=CON=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645317	0	31	-1.0	-42.55	257.62	2.60	-39.95
CC1=CON=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645317	1	31	-1.0	-42.49	257.79	2.60	-39.89
O=C(C1=CN2C=CN=C2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645318	0	34	-1.0	-45.38	284.15	5.09	-40.29
O=C(C1=CN2C=CN=C2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645318	1	34	-1.0	-45.26	284.32	5.09	-40.17
CC1CC1C1CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645319	0	39	-1.0	-41.09	305.64	5.67	-35.42
CC1CC1C1CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645319	1	39	-1.0	-41.03	305.81	5.67	-35.36
N#CCC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645320	0	36	-1.0	-49.05	301.95	5.17	-43.88
N#CCC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645320	1	36	-1.0	-49.03	302.11	5.17	-43.86
CCN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL250004645321	0	38	-1.0	-42.91	305.05	3.17	-39.74
CCN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL250004645321	1	38	-1.0	-42.93	305.22	3.16	-39.77
O=C(C1CC2(CSC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645322	0	37	-1.0	-42.44	302.42	4.80	-37.64
O=C(C1CC2(CSC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645322	1	37	-1.0	-42.41	302.58	4.80	-37.61
CC(C)C1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NO1	REAL250004645323	0	37	-1.0	-39.68	300.99	3.78	-35.90
CC(C)C1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NO1	REAL250004645323	1	37	-1.0	-39.65	301.15	3.78	-35.87
CC1(CCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645324	0	37	-1.0	-46.12	303.15	-0.47	-46.59
CC1(CCCC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645324	1	37	-1.0	-46.10	303.31	-0.47	-46.57
C=CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004645325	0	39	-1.0	-40.79	318.59	6.09	-34.70
C=CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004645325	1	39	-1.0	-40.77	318.76	6.08	-34.69
CN(C)C(=O)C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645326	0	36	-1.0	-43.46	296.15	2.13	-41.33
CN(C)C(=O)C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645326	1	36	-1.0	-43.42	296.31	2.13	-41.29
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CNC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004645330	0	36	-1.0	-43.86	292.99	1.93	-41.93
CNC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004645330	1	36	-1.0	-43.84	293.16	1.92	-41.92
CN1CCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004645331	0	39	-1.0	-54.43	308.97	4.02	-50.41
CN1CCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004645331	1	39	-1.0	-54.38	309.14	4.01	-50.37
CCC1CCCC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645332	0	44	-1.0	-39.81	313.87	5.23	-34.58
CCC1CCCC1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645332	1	44	-1.0	-39.74	314.04	5.23	-34.51
O=C(CC1=CC=C(F)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645333	0	34	-1.0	-45.25	287.87	3.60	-41.65
O=C(CC1=CC=C(F)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645333	1	34	-1.0	-45.24	288.04	3.59	-41.65
NC1=CC(F)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645334	0	34	-1.0	-39.44	282.23	2.19	-37.25
NC1=CC(F)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645334	1	34	-1.0	-39.40	282.40	2.19	-37.21
[N-]=[N+]=NC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004645335	0	34	-1.0	-39.52	292.05	1.85	-37.67
[N-]=[N+]=NC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004645335	1	34	-1.0	-39.47	292.22	1.85	-37.62
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645336	0	34	-1.0	-44.41	291.34	1.93	-42.48
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645336	1	34	-1.0	-44.39	291.50	1.93	-42.46
O=C(C1=CC=CN2N=CC=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645337	0	35	-1.0	-47.05	295.39	4.06	-42.99
O=C(C1=CC=CN2N=CC=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645337	1	35	-1.0	-46.99	295.55	4.06	-42.93
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O=C(CO)NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645338	1	36	-1.0	-55.01	299.70	-1.67	-56.68
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NC1=NN=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004645341	0	32	-1.0	-48.74	283.43	0.38	-48.36
NC1=NN=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004645341	1	32	-1.0	-48.70	283.60	0.37	-48.33
NC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004645342	0	33	-1.0	-42.21	272.81	1.05	-41.16
NC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004645342	1	33	-1.0	-42.23	272.98	1.04	-41.19
CCCC(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645343	0	40	-1.0	-40.79	300.42	4.47	-36.32
CCCC(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645343	1	40	-1.0	-40.76	300.59	4.48	-36.28
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CCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL250004645346	0	39	-1.0	-44.00	310.73	5.16	-38.84
CCN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL250004645346	1	39	-1.0	-43.99	310.90	5.16	-38.83
CC1=COC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645347	0	32	-1.0	-40.94	266.26	3.02	-37.92
CC1=COC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645347	1	32	-1.0	-40.90	266.43	3.02	-37.88
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(F)(F)C1	REAL250004645348	0	35	-1.0	-39.28	278.31	3.66	-35.62
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(F)(F)C1	REAL250004645348	1	35	-1.0	-39.23	278.48	3.65	-35.58
CC(C)OC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004645349	0	42	-1.0	-39.43	316.74	4.05	-35.38
CC(C)OC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004645349	1	42	-1.0	-39.43	316.90	4.05	-35.38
C[C@@]1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC(=O)N1	REAL250004645350	0	36	-1.0	-42.37	280.72	0.75	-41.62
C[C@@]1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC(=O)N1	REAL250004645350	1	36	-1.0	-42.29	280.88	0.75	-41.54
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645351	0	38	-1.0	-48.94	302.41	4.52	-44.42
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645351	1	38	-1.0	-48.86	302.58	4.51	-44.35
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CCC1=NN(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645353	0	38	-1.0	-40.88	303.83	3.17	-37.71
CCC1=NN(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645353	1	38	-1.0	-40.88	303.99	3.16	-37.72
NC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645354	0	33	-1.0	-43.58	273.08	1.03	-42.55
NC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645354	1	33	-1.0	-43.61	273.25	1.03	-42.58
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O=C(C[C@@H]1C[C@H]1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645355	1	39	-1.0	-41.26	312.67	5.94	-35.32
C=CC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645356	0	38	-1.0	-39.34	289.83	4.40	-34.94
C=CC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645356	1	38	-1.0	-39.33	290.00	4.40	-34.93
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COC1=NC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645362	1	34	-1.0	-42.74	284.83	0.12	-42.62
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CC1(C)COC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645373	1	42	-1.0	-44.79	324.73	4.21	-40.58
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CC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1O	REAL250004645376	1	35	-1.0	-44.40	289.34	1.95	-42.45
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CC1=CN=C(F)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645383	0	34	-1.0	-39.59	282.71	2.90	-36.69
CC1=CN=C(F)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645383	1	34	-1.0	-39.57	282.87	2.89	-36.68
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCO1	REAL250004645384	0	39	-1.0	-43.46	300.79	2.79	-40.67
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCO1	REAL250004645384	1	39	-1.0	-43.46	300.96	2.78	-40.68
NC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645385	0	32	-1.0	-48.20	274.65	0.79	-47.41
NC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645385	1	32	-1.0	-48.17	274.81	0.78	-47.39
O=C(C1=CC=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645386	0	28	-1.0	-39.45	247.87	1.74	-37.71
O=C(C1=CC=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645386	1	28	-1.0	-39.46	248.03	1.73	-37.73
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CC2)CCC1	REAL250004645387	0	39	-1.0	-40.67	290.20	5.28	-35.39
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CC2)CCC1	REAL250004645387	1	39	-1.0	-40.64	290.35	5.29	-35.35
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CC2)CC1	REAL250004645388	0	36	-1.0	-41.14	272.01	4.47	-36.67
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CC2)CC1	REAL250004645388	1	36	-1.0	-41.07	272.18	4.47	-36.60
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCSC1	REAL250004645389	0	37	-1.0	-40.72	293.32	2.66	-38.06
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCSC1	REAL250004645389	1	37	-1.0	-40.69	293.48	2.65	-38.04
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645390	0	35	-1.0	-49.35	291.11	3.93	-45.42
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645390	1	35	-1.0	-49.34	291.27	3.93	-45.41
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645391	0	40	-1.0	-42.01	307.85	3.22	-38.79
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645391	1	40	-1.0	-41.94	308.01	3.22	-38.72
O=C(CC(F)(F)C(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645392	0	31	-1.0	-47.06	272.15	3.34	-43.72
O=C(CC(F)(F)C(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645392	1	31	-1.0	-47.01	272.32	3.34	-43.67
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645393	0	39	-1.0	-50.77	304.13	0.47	-50.30
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645393	1	39	-1.0	-50.74	304.30	0.46	-50.28
C[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645394	0	39	-1.0	-40.23	298.40	4.94	-35.29
C[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645394	1	39	-1.0	-40.18	298.57	4.93	-35.25
C#CCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645395	0	31	-1.0	-44.77	278.27	4.00	-40.77
C#CCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645395	1	31	-1.0	-44.72	278.44	4.00	-40.72
O=C(C1=NC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645396	0	30	-1.0	-46.00	255.09	1.99	-44.01
O=C(C1=NC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645396	1	30	-1.0	-45.97	255.25	1.98	-43.99
N#CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CS1	REAL250004645397	0	30	-1.0	-48.45	273.17	3.50	-44.95
N#CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CS1	REAL250004645397	1	30	-1.0	-48.44	273.34	3.50	-44.94
O=C(C1C2CCC(=O)C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645398	0	35	-1.0	-41.96	276.68	3.48	-38.48
O=C(C1C2CCC(=O)C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645398	1	35	-1.0	-41.94	276.85	3.48	-38.46
CC1=NOC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645399	0	36	-1.0	-41.87	287.14	2.27	-39.60
CC1=NOC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645399	1	36	-1.0	-41.84	287.31	2.26	-39.58
CCOC1C(C)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645400	0	39	-1.0	-39.47	312.84	3.59	-35.88
CCOC1C(C)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645400	1	39	-1.0	-39.44	313.01	3.58	-35.86
O=C(CCN1C=NN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645401	0	33	-1.0	-46.76	278.93	2.29	-44.47
O=C(CCN1C=NN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645401	1	33	-1.0	-46.73	279.09	2.28	-44.45
NC1=CC=NN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645402	0	34	-1.0	-45.37	283.41	1.26	-44.11
NC1=CC=NN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645402	1	34	-1.0	-45.30	283.57	1.25	-44.05
O=C(CC1(O)CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645403	0	40	-1.0	-44.25	306.26	0.93	-43.32
O=C(CC1(O)CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645403	1	40	-1.0	-44.23	306.42	0.92	-43.31
O=C(C1=CC=C2NC=CC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645404	0	35	-1.0	-46.56	289.37	3.12	-43.44
O=C(C1=CC=C2NC=CC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645404	1	35	-1.0	-46.56	289.54	3.11	-43.45
O=C(N1CCN(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1CCC2	REAL250004645405	0	36	-1.0	-40.98	278.81	4.35	-36.63
O=C(N1CCN(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1CCC2	REAL250004645405	1	36	-1.0	-40.93	278.97	4.35	-36.58
CN1C=NC(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645406	0	36	-1.0	-46.79	301.32	5.05	-41.74
CN1C=NC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645406	1	36	-1.0	-46.76	301.49	5.04	-41.72
O=C(CC1CC=CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645407	0	39	-1.0	-41.45	299.86	5.32	-36.13
O=C(CC1CC=CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645407	1	39	-1.0	-41.44	300.02	5.32	-36.12
O=C(C1=C[N-]N=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004645408	1	31	-1.0	-39.60	268.37	0.50	-39.10
O=C(C1CCC2(CC1)N=N2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645409	0	38	-1.0	-42.61	302.46	-0.86	-43.47
O=C(C1CCC2(CC1)N=N2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645409	1	38	-1.0	-42.57	302.63	-0.87	-43.44
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645410	0	42	-1.0	-40.31	304.05	5.41	-34.90
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645410	1	42	-1.0	-40.31	304.22	5.41	-34.90
C=C(CC(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645411	0	38	-1.0	-41.40	303.43	4.49	-36.91
C=C(CC(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645411	1	38	-1.0	-41.36	303.59	4.49	-36.87
CC(C)N1C=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645412	0	38	-1.0	-43.14	302.20	4.86	-38.28
CC(C)N1C=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645412	1	38	-1.0	-43.15	302.37	4.85	-38.30
CC1=CC=C(C#N)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645413	0	36	-1.0	-42.56	302.89	5.09	-37.47
CC1=CC=C(C#N)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645413	1	36	-1.0	-42.55	303.06	5.08	-37.47
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CCC1	REAL250004645414	0	36	-1.0	-40.62	274.45	3.94	-36.68
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CCC1	REAL250004645414	1	36	-1.0	-40.52	274.61	3.93	-36.59
CCCCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645415	0	41	-1.0	-41.05	321.36	5.44	-35.61
CCCCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645415	1	41	-1.0	-41.03	321.53	5.44	-35.59
O=C(C1=C2C=CC=CC2=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645416	0	34	-1.0	-41.65	284.90	3.83	-37.82
O=C(C1=C2C=CC=CC2=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645416	1	34	-1.0	-41.61	285.06	3.82	-37.79
O=C(C1=CC=C2OC=NC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645417	0	34	-1.0	-46.78	285.30	1.01	-45.77
O=C(C1=CC=C2OC=NC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645417	1	34	-1.0	-46.76	285.46	1.00	-45.76
CCC[C@H](O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645418	0	35	-1.0	-40.27	277.04	1.34	-38.93
CCC[C@H](O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645418	1	35	-1.0	-40.25	277.21	1.33	-38.92
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)CO	REAL250004645419	0	29	-1.0	-41.21	247.07	0.14	-41.07
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)CO	REAL250004645419	1	29	-1.0	-41.19	247.24	0.14	-41.05
CC1=NNC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645420	0	38	-1.0	-43.01	311.25	2.84	-40.17
CC1=NNC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645420	1	38	-1.0	-42.93	311.41	2.85	-40.08
O=C(C1=CC2=NNC=C2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645421	0	34	-1.0	-46.37	281.79	0.88	-45.49
O=C(C1=CC2=NNC=C2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645421	1	34	-1.0	-46.36	281.96	0.88	-45.48
O=C(C1=CC=C(CO)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645422	0	35	-1.0	-42.40	287.34	-0.38	-42.78
O=C(C1=CC=C(CO)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645422	1	35	-1.0	-42.38	287.51	-0.39	-42.77
CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645423	0	40	-1.0	-41.41	305.27	-0.93	-42.34
CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645423	1	40	-1.0	-41.36	305.43	-0.94	-42.30
C=C(CCC(=O)OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645424	0	38	-1.0	-44.84	319.99	4.01	-40.83
C=C(CCC(=O)OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645424	1	38	-1.0	-44.89	320.16	4.01	-40.88
CCOC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645426	0	33	-1.0	-41.46	273.54	2.34	-39.12
CCOC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645426	1	33	-1.0	-41.48	273.71	2.33	-39.15
CN1C=CN=C1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645427	0	38	-1.0	-43.59	309.07	4.23	-39.36
CN1C=CN=C1CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645427	1	38	-1.0	-43.53	309.24	4.22	-39.31
O=C(C1=CN(CCO)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645428	0	36	-1.0	-43.54	298.17	-0.69	-44.23
O=C(C1=CN(CCO)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645428	1	36	-1.0	-43.50	298.34	-0.69	-44.19
CC1=COC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645429	0	31	-1.0	-43.56	261.32	-0.43	-43.99
CC1=COC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645429	1	31	-1.0	-43.54	261.49	-0.44	-43.98
CCC(C)(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645430	0	35	-1.0	-39.65	270.04	0.29	-39.36
CCC(C)(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645430	1	35	-1.0	-39.60	270.21	0.29	-39.31
CC(C)(C)CC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645431	0	46	-1.0	-39.75	314.42	4.70	-35.05
CC(C)(C)CC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645431	1	46	-1.0	-39.72	314.59	4.69	-35.03
O=C(C1=CC2=CNC=CC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645432	0	35	-1.0	-61.55	289.86	3.20	-58.35
O=C(C1=CC2=CNC=CC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645432	1	35	-1.0	-61.50	290.02	3.19	-58.31
C=CC(CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645433	0	38	-1.0	-40.80	299.51	4.71	-36.09
C=CC(CC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645433	1	38	-1.0	-40.77	299.67	4.71	-36.06
O=C(C1=CC2=CC=CN2C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645434	0	35	-1.0	-45.13	291.45	6.31	-38.82
O=C(C1=CC2=CC=CN2C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645434	1	35	-1.0	-45.13	291.61	6.30	-38.83
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645435	0	38	-1.0	-41.16	315.49	4.47	-36.69
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645435	1	38	-1.0	-41.13	315.66	4.48	-36.65
O=C(C1=CC2=NC=CC=C2O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645436	0	34	-1.0	-42.70	286.24	2.90	-39.80
O=C(C1=CC2=NC=CC=C2O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645436	1	34	-1.0	-42.71	286.40	2.90	-39.81
CC1=CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004645437	0	37	-1.0	-42.28	306.27	4.03	-38.25
CC1=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004645437	1	37	-1.0	-42.22	306.44	4.03	-38.19
CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645439	0	34	-1.0	-44.47	282.69	1.85	-42.62
CCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645439	1	34	-1.0	-44.44	282.85	1.85	-42.59
CC[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645440	0	39	-1.0	-40.01	302.01	2.80	-37.21
CC[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645440	1	39	-1.0	-39.98	302.18	2.81	-37.17
COC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004645441	0	34	-1.0	-41.05	284.79	1.44	-39.61
COC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004645441	1	34	-1.0	-40.99	284.96	1.44	-39.55
O=C([C@@H]1CSCC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645442	0	34	-1.0	-42.11	283.99	0.59	-41.52
O=C([C@@H]1CSCC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645442	1	34	-1.0	-42.06	284.16	0.60	-41.46
CC(C)(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)F	REAL250004645444	0	37	-1.0	-40.40	291.15	4.17	-36.23
CC(C)(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)F	REAL250004645444	1	37	-1.0	-40.36	291.32	4.18	-36.18
CN1C(=O)CC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645445	0	36	-1.0	-47.75	290.60	2.39	-45.36
CN1C(=O)CC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645445	1	36	-1.0	-47.67	290.77	2.38	-45.29
O=C(C1CCCCC1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645446	0	38	-1.0	-42.97	294.66	4.58	-38.39
O=C(C1CCCCC1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645446	1	38	-1.0	-42.91	294.82	4.59	-38.32
CC1(C)C(C)(C)C1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645447	0	44	-1.0	-40.15	315.18	4.86	-35.29
CC1(C)C(C)(C)C1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645447	1	44	-1.0	-40.14	315.34	4.87	-35.27
CC1=CN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=C1	REAL250004645448	0	37	-1.0	-44.36	303.02	3.70	-40.66
CC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=C1	REAL250004645448	1	37	-1.0	-44.33	303.18	3.69	-40.64
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CC1	REAL250004645449	0	36	-1.0	-40.28	272.23	3.91	-36.37
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CC1	REAL250004645449	1	36	-1.0	-40.26	272.39	3.91	-36.35
CC(C)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)COC1	REAL250004645450	0	39	-1.0	-41.71	283.04	1.94	-39.77
CC(C)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)COC1	REAL250004645450	1	39	-1.0	-41.66	283.21	1.95	-39.71
O=C(C1=C2C=COC2=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645451	0	34	-1.0	-45.48	282.87	3.52	-41.96
O=C(C1=C2C=COC2=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645451	1	34	-1.0	-45.50	283.03	3.51	-41.99
CC1=CN=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL250004645452	0	37	-1.0	-42.93	296.70	4.33	-38.60
CC1=CN=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL250004645452	1	37	-1.0	-42.89	296.87	4.34	-38.55
O=C(C1CCC2=CNN=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645453	0	36	-1.0	-45.17	281.90	2.59	-42.58
O=C(C1CCC2=CNN=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645453	1	36	-1.0	-45.13	282.07	2.60	-42.53
O=C(CC1CCCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645454	0	42	-1.0	-41.63	310.91	3.43	-38.20
O=C(CC1CCCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645454	1	42	-1.0	-41.60	311.08	3.42	-38.18
C=CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004645455	0	36	-1.0	-43.18	299.55	3.21	-39.97
C=CCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004645455	1	36	-1.0	-43.15	299.72	3.21	-39.94
CC1CCC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645456	0	44	-1.0	-39.96	313.26	5.00	-34.96
CC1CCC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645456	1	44	-1.0	-39.92	313.43	5.00	-34.92
CC(C)CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)COC1	REAL250004645457	0	42	-1.0	-42.90	312.96	2.61	-40.29
CC(C)CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)COC1	REAL250004645457	1	42	-1.0	-42.89	313.12	2.61	-40.28
CN1C=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645458	0	34	-1.0	-52.01	284.07	1.67	-50.34
CN1C=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645458	1	34	-1.0	-51.96	284.24	1.66	-50.30
CC1=NOC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645459	0	37	-1.0	-42.30	306.29	4.08	-38.22
CC1=NOC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645459	1	37	-1.0	-42.27	306.46	4.08	-38.19
CC1(C)C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(C)C	REAL250004645460	0	44	-1.0	-41.02	330.95	5.75	-35.27
CC1(C)C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(C)C	REAL250004645460	1	44	-1.0	-41.02	331.11	5.76	-35.26
NC1=CC=C(F)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645461	0	34	-1.0	-39.89	283.56	2.24	-37.65
NC1=CC=C(F)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645461	1	34	-1.0	-39.86	283.72	2.23	-37.63
O=C(CC1=CN=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645462	0	33	-1.0	-45.16	277.62	3.11	-42.05
O=C(CC1=CN=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645462	1	33	-1.0	-45.14	277.78	3.12	-42.02
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN=N1	REAL250004645463	0	33	-1.0	-40.96	273.98	1.75	-39.21
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN=N1	REAL250004645463	1	33	-1.0	-40.93	274.15	1.75	-39.18
O=C(C1=CN2C=CN=CC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645464	0	34	-1.0	-44.58	285.36	3.68	-40.90
O=C(C1=CN2C=CN=CC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645464	1	34	-1.0	-44.54	285.53	3.68	-40.86
CC[C@H](C)[C@H](O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645465	0	38	-1.0	-39.04	282.91	1.86	-37.18
CC[C@H](C)[C@H](O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645465	1	38	-1.0	-38.99	283.08	1.86	-37.13
CC(C)CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645466	0	46	-1.0	-40.03	336.41	5.55	-34.48
CC(C)CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645466	1	46	-1.0	-39.95	336.57	5.54	-34.41
O=C(C1=CC=C(F)C(O)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645467	0	33	-1.0	-42.77	280.08	1.30	-41.47
O=C(C1=CC=C(F)C(O)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645467	1	33	-1.0	-42.73	280.25	1.29	-41.44
C[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=NN=N1	REAL250004645471	0	33	-1.0	-45.69	273.48	1.70	-43.99
C[C@@H](C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=NN=N1	REAL250004645471	1	33	-1.0	-45.69	273.65	1.70	-43.99
CNC(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645472	0	35	-1.0	-43.41	287.57	0.44	-42.97
CNC(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645472	1	35	-1.0	-43.32	287.74	0.44	-42.88
C=C(F)C1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004645473	0	39	-1.0	-42.27	304.28	4.98	-37.29
C=C(F)C1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004645473	1	39	-1.0	-42.24	304.45	4.97	-37.27
O=C(CC(O)C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645474	0	42	-1.0	-43.99	323.17	3.08	-40.91
O=C(CC(O)C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645474	1	42	-1.0	-44.01	323.34	3.07	-40.94
CC1(OCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004645475	0	42	-1.0	-43.01	321.57	4.92	-38.09
CC1(OCC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004645475	1	42	-1.0	-42.96	321.74	4.92	-38.04
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1F	REAL250004645476	0	34	-1.0	-42.43	284.79	3.72	-38.71
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1F	REAL250004645476	1	34	-1.0	-42.36	284.96	3.71	-38.65
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645477	0	37	-1.0	-39.92	289.18	2.94	-36.98
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645477	1	37	-1.0	-39.88	289.35	2.94	-36.94
CC1(C)CC1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645478	0	41	-1.0	-40.77	321.11	5.60	-35.17
CC1(C)CC1CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645478	1	41	-1.0	-40.72	321.27	5.60	-35.12
CC1(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL250004645479	0	42	-1.0	-41.33	314.47	3.31	-38.02
CC1(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCO1	REAL250004645479	1	42	-1.0	-41.28	314.64	3.30	-37.98
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645480	0	42	-1.0	-41.18	320.12	5.89	-35.29
O=C([C@@H]1CCC[C@H]1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645480	1	42	-1.0	-41.15	320.28	5.89	-35.26
COC1CCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645481	0	39	-1.0	-39.91	303.82	2.95	-36.96
COC1CCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645481	1	39	-1.0	-39.85	303.98	2.94	-36.91
O=C(C1CC2CCCC21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645482	0	39	-1.0	-40.92	296.34	5.08	-35.84
O=C(C1CC2CCCC21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645482	1	39	-1.0	-40.91	296.51	5.07	-35.84
COC(=O)[C@H]1C[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645483	0	38	-1.0	-46.90	309.10	4.01	-42.89
COC(=O)[C@H]1C[C@@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645483	1	38	-1.0	-46.85	309.26	4.01	-42.84
CCC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL250004645484	0	34	-1.0	-42.58	290.73	3.38	-39.20
CCC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL250004645484	1	34	-1.0	-42.58	290.90	3.38	-39.20
O=C(C1=NNC=C1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645485	0	36	-1.0	-45.01	291.21	3.24	-41.77
O=C(C1=NNC=C1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645485	1	36	-1.0	-44.96	291.38	3.24	-41.72
O=C(C1CCC2CC2CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645486	0	42	-1.0	-40.47	302.39	5.39	-35.08
O=C(C1CCC2CC2CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645486	1	42	-1.0	-40.45	302.55	5.38	-35.07
O=C(CC1CCC=CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645487	0	42	-1.0	-40.44	313.97	5.80	-34.64
O=C(CC1CCC=CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645487	1	42	-1.0	-40.39	314.14	5.80	-34.59
O=C(C1=CCCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645488	0	37	-1.0	-41.11	291.38	2.73	-38.38
O=C(C1=CCCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645488	1	37	-1.0	-41.05	291.55	2.72	-38.33
CC1(C)CCC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645489	0	42	-1.0	-40.88	317.29	5.31	-35.57
CC1(C)CCC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645489	1	42	-1.0	-40.83	317.46	5.30	-35.53
O=C(C=CC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645490	0	35	-1.0	-43.48	291.73	3.84	-39.64
O=C(C=CC1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645490	1	35	-1.0	-43.45	291.89	3.83	-39.62
O=C(C1=CC=C(C2CC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645491	0	36	-1.0	-40.51	298.16	4.88	-35.63
O=C(C1=CC=C(C2CC2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645491	1	36	-1.0	-40.45	298.33	4.87	-35.58
CC1(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645492	0	38	-1.0	-40.86	297.46	4.84	-36.02
CC1(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645492	1	38	-1.0	-40.82	297.63	4.83	-35.99
NC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645493	0	30	-1.0	-41.23	254.31	-2.84	-44.07
NC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645493	1	30	-1.0	-41.24	254.47	-2.84	-44.08
O=C(C1CCC1F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645494	0	32	-1.0	-39.27	259.46	3.42	-35.85
O=C(C1CCC1F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645494	1	32	-1.0	-39.30	259.63	3.41	-35.89
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645495	0	40	-1.0	-40.86	302.59	5.68	-35.18
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645495	1	40	-1.0	-40.82	302.76	5.68	-35.14
CC1CC2CC2CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645496	0	42	-1.0	-39.28	313.67	5.69	-33.59
CC1CC2CC2CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645496	1	42	-1.0	-39.26	313.84	5.68	-33.58
CN1C=CC(=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645497	0	35	-1.0	-53.07	286.34	3.42	-49.65
CN1C=CC(=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645497	1	35	-1.0	-53.00	286.50	3.43	-49.57
CCC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004645498	0	35	-1.0	-45.06	286.68	3.00	-42.06
CCC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004645498	1	35	-1.0	-44.98	286.85	3.00	-41.98
O=C(C=CC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645499	0	36	-1.0	-42.07	296.85	5.60	-36.47
O=C(C=CC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645499	1	36	-1.0	-42.02	297.02	5.59	-36.43
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645501	0	42	-1.0	-40.52	307.63	5.67	-34.85
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645501	1	42	-1.0	-40.50	307.79	5.66	-34.84
O=C(C1=NC2=CNN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645502	0	34	-1.0	-45.46	284.23	1.76	-43.70
O=C(C1=NC2=CNN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645502	1	34	-1.0	-45.45	284.40	1.75	-43.70
O=C(C1=CC=C(CO)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645503	0	35	-1.0	-44.84	290.50	0.49	-44.35
O=C(C1=CC=C(CO)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645503	1	35	-1.0	-44.80	290.66	0.48	-44.32
CC1=NOC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645504	0	34	-1.0	-45.76	284.82	3.11	-42.65
CC1=NOC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645504	1	34	-1.0	-45.74	284.99	3.11	-42.63
CCN1C(=O)NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645505	0	36	-1.0	-42.78	300.73	1.86	-40.92
CCN1C(=O)NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645505	1	36	-1.0	-42.74	300.90	1.85	-40.89
CNC1=NC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645506	0	36	-1.0	-42.23	294.06	2.49	-39.74
CNC1=NC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645506	1	36	-1.0	-42.21	294.23	2.48	-39.73
COC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645507	0	36	-1.0	-43.40	288.97	2.94	-40.46
COC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645507	1	36	-1.0	-43.32	289.14	2.94	-40.38
O=C(CC1CCC2CC2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645508	0	42	-1.0	-41.07	315.61	6.00	-35.07
O=C(CC1CCC2CC2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645508	1	42	-1.0	-41.08	315.77	6.00	-35.08
CC1=NSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645509	0	31	-1.0	-39.44	269.55	2.34	-37.10
CC1=NSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645509	1	31	-1.0	-39.39	269.71	2.34	-37.05
C=C(CCC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645510	0	35	-1.0	-41.38	286.03	3.98	-37.40
C=C(CCC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645510	1	35	-1.0	-41.33	286.20	3.97	-37.36
C#CC1(O)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645511	0	35	-1.0	-42.60	291.96	1.04	-41.56
C#CC1(O)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645511	1	35	-1.0	-42.53	292.12	1.04	-41.49
O=C(C1=C2C=CC=CN2C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645512	0	35	-1.0	-50.13	288.70	6.29	-43.84
O=C(C1=C2C=CC=CN2C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645512	1	35	-1.0	-50.08	288.87	6.28	-43.80
CCOCCOCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645514	0	42	-1.0	-42.48	338.97	2.39	-40.09
CCOCCOCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645514	1	42	-1.0	-42.47	339.14	2.39	-40.08
O=C([C@@H]1C[C@H]1CF)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645515	0	32	-1.0	-43.08	265.94	3.67	-39.41
O=C([C@@H]1C[C@H]1CF)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645515	1	32	-1.0	-43.05	266.11	3.67	-39.38
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645516	0	40	-1.0	-40.41	314.56	4.01	-36.40
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645516	1	40	-1.0	-40.39	314.73	4.01	-36.38
CC(C)(CF)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645517	0	34	-1.0	-38.34	261.91	2.85	-35.49
CC(C)(CF)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645517	1	34	-1.0	-38.32	262.07	2.84	-35.48
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCNC(=O)C1	REAL250004645518	0	39	-1.0	-44.04	290.17	0.50	-43.54
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCNC(=O)C1	REAL250004645518	1	39	-1.0	-44.03	290.34	0.50	-43.53
CC1=CSC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645519	0	35	-1.0	-41.99	299.88	4.90	-37.09
CC1=CSC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645519	1	35	-1.0	-41.97	300.04	4.90	-37.07
O=C(C#CC1CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645520	0	38	-1.0	-40.48	310.56	3.66	-36.82
O=C(C#CC1CCCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645520	1	38	-1.0	-40.44	310.73	3.66	-36.78
O=C(C1CC=CCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645522	0	34	-1.0	-42.74	269.39	3.14	-39.60
O=C(C1CC=CCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645522	1	34	-1.0	-42.70	269.55	3.14	-39.56
O=C(CC1CC(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645523	0	35	-1.0	-41.20	282.48	4.30	-36.90
O=C(CC1CC(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645523	1	35	-1.0	-41.15	282.65	4.30	-36.85
O=C(C1CC2(CC2(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645524	0	36	-1.0	-40.95	299.87	4.92	-36.03
O=C(C1CC2(CC2(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645524	1	36	-1.0	-40.96	300.03	4.92	-36.04
O=C(C1=CN2N=CN=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645525	0	34	-1.0	-44.74	284.72	4.51	-40.23
O=C(C1=CN2N=CN=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645525	1	34	-1.0	-44.74	284.89	4.50	-40.24
O=C(C1CCS1(=O)=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645526	0	32	-1.0	-49.75	271.56	0.43	-49.32
O=C(C1CCS1(=O)=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645526	1	32	-1.0	-49.68	271.73	0.42	-49.26
O=C(CC(O)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645527	0	36	-1.0	-44.06	290.95	2.01	-42.05
O=C(CC(O)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645527	1	36	-1.0	-44.01	291.12	2.00	-42.01
CC1=NSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1N	REAL250004645528	0	33	-1.0	-40.28	281.09	0.39	-39.89
CC1=NSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1N	REAL250004645528	1	33	-1.0	-40.24	281.26	0.38	-39.86
O=C(C1=CC=CC=C1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645529	0	39	-1.0	-42.82	309.72	6.08	-36.74
O=C(C1=CC=CC=C1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645529	1	39	-1.0	-42.78	309.88	6.07	-36.71
O=C(C=CC1=NC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645530	0	32	-1.0	-41.68	284.44	2.93	-38.75
O=C(C=CC1=NC=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645530	1	32	-1.0	-41.64	284.61	2.93	-38.71
COC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CS1	REAL250004645531	0	33	-1.0	-45.34	285.67	2.58	-42.76
COC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CS1	REAL250004645531	1	33	-1.0	-45.33	285.83	2.57	-42.76
O=C(C1C(F)(F)C12CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645532	0	36	-1.0	-42.25	296.21	4.95	-37.30
O=C(C1C(F)(F)C12CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645532	1	36	-1.0	-42.22	296.38	4.94	-37.28
C=C(C)CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645533	0	38	-1.0	-41.31	305.41	4.90	-36.41
C=C(C)CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645533	1	38	-1.0	-41.31	305.58	4.91	-36.40
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CC1	REAL250004645534	0	34	-1.0	-38.10	276.39	3.55	-34.55
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CC1	REAL250004645534	1	34	-1.0	-38.04	276.56	3.55	-34.49
CCCC(C(=O)OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645535	0	40	-1.0	-42.11	319.62	4.10	-38.01
CCCC(C(=O)OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645535	1	40	-1.0	-42.05	319.78	4.10	-37.95
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O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(N2C=CN=N2)CC1	REAL250004645593	0	35	-1.0	-41.26	292.42	2.36	-38.90
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(N2C=CN=N2)CC1	REAL250004645593	1	35	-1.0	-41.21	292.59	2.36	-38.85
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(CC1)CC2	REAL250004645594	0	42	-1.0	-39.80	299.45	4.87	-34.93
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(CC1)CC2	REAL250004645594	1	42	-1.0	-39.77	299.62	4.87	-34.90
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645595	0	40	-1.0	-40.83	294.63	3.00	-37.83
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645595	1	40	-1.0	-40.76	294.79	2.99	-37.77
O=C(CC1(CO)CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645596	0	39	-1.0	-40.25	301.25	1.28	-38.97
O=C(CC1(CO)CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645596	1	39	-1.0	-40.19	301.42	1.28	-38.91
CCC(CCOC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645597	0	41	-1.0	-42.82	312.60	2.77	-40.05
CCC(CCOC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645597	1	41	-1.0	-42.82	312.76	2.77	-40.05
CC1=NC(N)=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645598	0	35	-1.0	-40.89	286.48	2.00	-38.89
CC1=NC(N)=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645598	1	35	-1.0	-40.87	286.64	2.00	-38.87
C=C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645599	0	35	-1.0	-40.66	281.29	3.75	-36.91
C=C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645599	1	35	-1.0	-40.62	281.46	3.74	-36.88
CN1N=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645600	0	35	-1.0	-46.31	288.27	2.65	-43.66
CN1N=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645600	1	35	-1.0	-46.24	288.44	2.64	-43.60
O=C(C1CSC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645601	0	31	-1.0	-47.03	268.06	-0.21	-47.24
O=C(C1CSC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645601	1	31	-1.0	-46.99	268.23	-0.22	-47.21
NC(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1	REAL250004645602	0	33	-1.0	-47.33	280.80	-2.16	-49.49
NC(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1	REAL250004645602	1	33	-1.0	-47.31	280.97	-2.17	-49.48
CC1(C)C(O)CC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645603	0	42	-1.0	-41.38	322.99	1.87	-39.51
CC1(C)C(O)CC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645603	1	42	-1.0	-41.34	323.15	1.87	-39.47
O=C(C1=CC2(C1)CCOC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645604	0	38	-1.0	-42.03	298.87	3.02	-39.01
O=C(C1=CC2(C1)CCOC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645604	1	38	-1.0	-41.99	299.04	3.02	-38.97
O=C(C1=CC=NN1CCF)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645605	0	35	-1.0	-41.04	289.28	2.83	-38.21
O=C(C1=CC=NN1CCF)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645605	1	35	-1.0	-40.99	289.45	2.82	-38.17
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=CS1	REAL250004645606	0	34	-1.0	-43.20	285.20	3.51	-39.69
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CS1	REAL250004645606	1	34	-1.0	-43.14	285.37	3.50	-39.64
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL250004645607	0	34	-1.0	-41.24	265.66	2.48	-38.76
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCO1	REAL250004645607	1	34	-1.0	-41.23	265.83	2.48	-38.75
CCCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645608	0	38	-1.0	-44.53	308.60	4.06	-40.47
CCCN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645608	1	38	-1.0	-44.49	308.77	4.06	-40.43
C[C@H](CC(F)(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645609	0	34	-1.0	-38.81	278.26	3.48	-35.33
C[C@H](CC(F)(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645609	1	34	-1.0	-38.81	278.43	3.48	-35.33
CCN1C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645610	0	36	-1.0	-42.46	287.05	4.41	-38.05
CCN1C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645610	1	36	-1.0	-42.39	287.21	4.41	-37.98
CC(=CN1C=CN=N1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645611	0	35	-1.0	-44.75	283.40	2.58	-42.17
CC(=CN1C=CN=N1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645611	1	35	-1.0	-44.68	283.57	2.57	-42.11
O=C(C(F)=CC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645612	0	33	-1.0	-38.86	274.98	4.24	-34.62
O=C(C(F)=CC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645612	1	33	-1.0	-38.79	275.15	4.23	-34.56
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645613	0	36	-1.0	-40.46	287.93	4.58	-35.88
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645613	1	36	-1.0	-40.41	288.09	4.58	-35.83
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N(C)C=N1	REAL250004645614	0	35	-1.0	-40.80	290.75	3.93	-36.87
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N(C)C=N1	REAL250004645614	1	35	-1.0	-40.78	290.91	3.93	-36.85
COC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645615	0	33	-1.0	-40.20	275.45	-1.28	-41.48
COC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645615	1	33	-1.0	-40.16	275.61	-1.29	-41.45
CC1CC(=O)NC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645616	0	36	-1.0	-45.13	280.40	0.23	-44.90
CC1CC(=O)NC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645616	1	36	-1.0	-45.10	280.56	0.23	-44.87
COCC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645617	0	35	-1.0	-39.32	293.77	1.30	-38.02
COCC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645617	1	35	-1.0	-39.28	293.94	1.29	-37.99
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC12CCC2	REAL250004645618	0	37	-1.0	-39.77	305.29	4.85	-34.92
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC12CCC2	REAL250004645618	1	37	-1.0	-39.72	305.46	4.84	-34.88
O=C(C1CC2(C1)CCOC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645619	0	40	-1.0	-42.14	308.87	3.16	-38.98
O=C(C1CC2(C1)CCOC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645619	1	40	-1.0	-42.10	309.04	3.15	-38.95
O=C(C1=CC=C2CCCC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645620	0	38	-1.0	-42.85	303.51	4.97	-37.88
O=C(C1=CC=C2CCCC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645620	1	38	-1.0	-42.80	303.68	4.96	-37.84
CCC1(CC)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645621	0	44	-1.0	-40.14	328.67	5.65	-34.49
CCC1(CC)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645621	1	44	-1.0	-40.08	328.83	5.64	-34.44
O=C(CN1N=CN=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645622	0	30	-1.0	-47.89	258.33	1.25	-46.64
O=C(CN1N=CN=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645622	1	30	-1.0	-47.81	258.50	1.24	-46.57
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@@H]21	REAL250004645623	0	42	-1.0	-41.75	311.48	5.44	-36.31
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@@H]21	REAL250004645623	1	42	-1.0	-41.73	311.64	5.44	-36.29
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645624	0	38	-1.0	-44.63	310.73	4.61	-40.02
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645624	1	38	-1.0	-44.62	310.90	4.60	-40.02
CC(C)=CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645625	0	38	-1.0	-40.73	301.64	4.89	-35.84
CC(C)=CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645625	1	38	-1.0	-40.70	301.80	4.89	-35.81
COC1=CC=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645626	0	35	-1.0	-44.97	287.53	2.10	-42.87
COC1=CC=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645626	1	35	-1.0	-44.91	287.69	2.09	-42.82
CC(=O)OCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645627	0	37	-1.0	-45.15	306.53	3.89	-41.26
CC(=O)OCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645627	1	37	-1.0	-45.10	306.70	3.88	-41.22
O=C(C1=NN(CCF)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645628	0	35	-1.0	-44.71	293.69	3.45	-41.26
O=C(C1=NN(CCF)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645628	1	35	-1.0	-44.64	293.86	3.44	-41.20
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC(=O)C1	REAL250004645629	0	37	-1.0	-41.14	283.80	3.15	-37.99
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC(=O)C1	REAL250004645629	1	37	-1.0	-41.10	283.97	3.14	-37.96
CC1=NC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004645630	0	34	-1.0	-44.43	294.71	3.09	-41.34
CC1=NC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004645630	1	34	-1.0	-44.39	294.88	3.09	-41.30
CC(=O)CC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645631	0	39	-1.0	-40.41	293.53	3.39	-37.02
CC(=O)CC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645631	1	39	-1.0	-40.37	293.70	3.39	-36.98
CC1=CNC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645632	0	38	-1.0	-44.66	310.72	3.21	-41.45
CC1=CNC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645632	1	38	-1.0	-44.64	310.88	3.20	-41.44
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=NN=N1	REAL250004645633	0	36	-1.0	-51.29	282.52	2.08	-49.21
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=NN=N1	REAL250004645633	1	36	-1.0	-51.26	282.68	2.09	-49.17
COCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CC1	REAL250004645634	0	40	-1.0	-42.60	306.31	3.00	-39.60
COCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CC1	REAL250004645634	1	40	-1.0	-42.55	306.47	3.01	-39.54
CCCC(CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645635	0	43	-1.0	-40.39	320.02	5.42	-34.97
CCCC(CC)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645635	1	43	-1.0	-40.39	320.19	5.42	-34.97
O=C(C1C(F)(F)C12CC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645636	0	33	-1.0	-40.26	283.17	4.47	-35.79
O=C(C1C(F)(F)C12CC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645636	1	33	-1.0	-40.25	283.34	4.47	-35.78
C=CCOC(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645637	0	37	-1.0	-41.61	312.22	0.66	-40.95
C=CCOC(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645637	1	37	-1.0	-41.51	312.39	0.67	-40.84
COCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=C1	REAL250004645638	0	36	-1.0	-41.39	297.06	2.28	-39.11
COCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=C1	REAL250004645638	1	36	-1.0	-41.34	297.22	2.27	-39.07
COC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645639	0	35	-1.0	-42.05	287.08	1.45	-40.60
COC1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645639	1	35	-1.0	-42.04	287.25	1.45	-40.59
O=C(C[C@H]1COC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645640	0	34	-1.0	-47.60	279.68	-0.52	-48.12
O=C(C[C@H]1COC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645640	1	34	-1.0	-47.58	279.84	-0.53	-48.11
CN1C=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645641	0	32	-1.0	-43.48	261.40	3.40	-40.08
CN1C=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645641	1	32	-1.0	-43.43	261.57	3.39	-40.04
O=C(COC1CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645642	0	40	-1.0	-43.60	315.53	2.75	-40.85
O=C(COC1CCCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645642	1	40	-1.0	-43.58	315.70	2.75	-40.83
CC(C)NC(=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645643	0	35	-1.0	-39.01	284.78	0.49	-38.52
CC(C)NC(=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645643	1	35	-1.0	-39.01	284.95	0.49	-38.52
CN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1F	REAL250004645644	0	32	-1.0	-40.90	272.54	2.43	-38.47
CN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1F	REAL250004645644	1	32	-1.0	-40.85	272.71	2.43	-38.42
CC1(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(F)F	REAL250004645645	0	35	-1.0	-41.85	284.52	4.16	-37.69
CC1(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(F)F	REAL250004645645	1	35	-1.0	-41.79	284.69	4.16	-37.63
O=C(C(F)CC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645646	0	35	-1.0	-41.06	286.21	4.45	-36.61
O=C(C(F)CC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645646	1	35	-1.0	-41.05	286.38	4.44	-36.61
O=C(C1=NC=C(Cl)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645647	0	30	-1.0	-41.72	271.90	2.46	-39.26
O=C(C1=NC=C(Cl)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645647	1	30	-1.0	-41.71	272.07	2.45	-39.26
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)S(N)(=O)=O	REAL250004645648	0	33	-1.0	-51.72	278.37	-2.94	-54.66
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)S(N)(=O)=O	REAL250004645648	1	33	-1.0	-51.68	278.53	-2.94	-54.62
CC1=CNC(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645649	0	36	-1.0	-44.42	301.11	3.11	-41.31
CC1=CNC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645649	1	36	-1.0	-44.37	301.27	3.11	-41.26
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004645650	0	41	-1.0	-40.31	313.32	5.51	-34.80
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004645650	1	41	-1.0	-40.29	313.48	5.50	-34.79
CC(=CC1CC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645651	0	36	-1.0	-40.35	293.25	4.76	-35.59
CC(=CC1CC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645651	1	36	-1.0	-40.32	293.41	4.75	-35.57
CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004645652	0	38	-1.0	-38.43	306.64	3.38	-35.05
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004645652	1	38	-1.0	-38.40	306.81	3.37	-35.03
O=C(C1CC2(CC(=O)N2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645653	0	37	-1.0	-46.64	299.96	0.27	-46.37
O=C(C1CC2(CC(=O)N2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645653	1	37	-1.0	-46.63	300.12	0.26	-46.37
O=C(CCOC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645654	0	36	-1.0	-40.54	293.86	2.94	-37.60
O=C(CCOC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645654	1	36	-1.0	-40.54	294.03	2.94	-37.60
COCN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645655	0	36	-1.0	-43.24	294.29	0.41	-42.83
COCN1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645655	1	36	-1.0	-43.16	294.46	0.40	-42.76
CC1(C)OC[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645656	0	37	-1.0	-42.17	294.03	2.33	-39.84
CC1(C)OC[C@@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645656	1	37	-1.0	-42.13	294.20	2.34	-39.79
O=C(C=CC1=CC=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645657	0	34	-1.0	-42.83	289.18	3.87	-38.96
O=C(C=CC1=CC=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645657	1	34	-1.0	-42.84	289.34	3.88	-38.96
CC(C)C1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL250004645658	0	37	-1.0	-41.33	303.68	2.04	-39.29
CC(C)C1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL250004645658	1	37	-1.0	-41.29	303.85	2.03	-39.26
N#C[C@@]1(O)C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645659	0	34	-1.0	-42.11	284.90	0.19	-41.92
N#C[C@@]1(O)C[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645659	1	34	-1.0	-42.08	285.07	0.19	-41.89
C=CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645660	0	36	-1.0	-41.42	290.68	4.43	-36.99
C=CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645660	1	36	-1.0	-41.40	290.85	4.42	-36.98
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CCCOC1	REAL250004645661	0	36	-1.0	-40.31	280.44	2.00	-38.31
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CCCOC1	REAL250004645661	1	36	-1.0	-40.30	280.61	2.00	-38.30
C=CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CC1	REAL250004645662	0	40	-1.0	-40.55	304.77	5.12	-35.43
C=CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CC1	REAL250004645662	1	40	-1.0	-40.50	304.94	5.11	-35.39
O=C(C(F)CC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645663	0	41	-1.0	-40.94	317.30	5.46	-35.48
O=C(C(F)CC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645663	1	41	-1.0	-40.90	317.47	5.45	-35.45
O=C(C1CC2(C1)CCCO2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645664	0	40	-1.0	-39.90	310.45	3.44	-36.46
O=C(C1CC2(C1)CCCO2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645664	1	40	-1.0	-39.83	310.62	3.43	-36.40
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CCCO2)CC1	REAL250004645665	0	40	-1.0	-42.66	306.71	3.90	-38.76
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CCCO2)CC1	REAL250004645665	1	40	-1.0	-42.66	306.88	3.91	-38.75
CCCC(O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645666	0	35	-1.0	-40.68	277.20	1.35	-39.33
CCCC(O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645666	1	35	-1.0	-40.67	277.37	1.34	-39.33
NC(=O)C1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645667	0	32	-1.0	-40.38	277.69	-1.74	-42.12
NC(=O)C1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645667	1	32	-1.0	-40.42	277.86	-1.74	-42.16
COCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CCC1	REAL250004645668	0	40	-1.0	-42.45	307.43	3.01	-39.44
COCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CCC1	REAL250004645668	1	40	-1.0	-42.40	307.59	3.01	-39.39
O=C([C@H]1CCC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645669	0	39	-1.0	-42.32	310.65	6.03	-36.29
O=C([C@H]1CCC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645669	1	39	-1.0	-42.26	310.82	6.03	-36.23
O=C(C1=C2C=CN=C2NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645670	0	35	-1.0	-48.13	293.79	3.63	-44.50
O=C(C1=C2C=CNC2=NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645670	1	35	-1.0	-46.09	290.16	3.39	-42.70
O=C(C1=C2C=CN=C2NC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645670	1	35	-1.0	-48.08	293.96	3.63	-44.45
O=C(C1=C2C=CNC2=NC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645670	1	35	-1.0	-46.04	290.32	3.38	-42.66
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(F)C1	REAL250004645671	0	35	-1.0	-42.94	273.83	3.60	-39.34
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(F)C1	REAL250004645671	1	35	-1.0	-42.88	273.99	3.60	-39.28
CC1CCC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645672	0	41	-1.0	-41.16	301.12	4.61	-36.55
CC1CCC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645672	1	41	-1.0	-41.13	301.29	4.61	-36.52
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=CO1	REAL250004645673	0	38	-1.0	-41.57	313.80	4.55	-37.02
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=CO1	REAL250004645673	1	38	-1.0	-41.48	313.96	4.55	-36.93
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCCC1CCC2	REAL250004645674	0	42	-1.0	-41.19	302.66	5.09	-36.10
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCCC1CCC2	REAL250004645674	1	42	-1.0	-41.14	302.83	5.09	-36.05
COCCC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645675	0	44	-1.0	-40.66	329.07	3.56	-37.10
COCCC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645675	1	44	-1.0	-40.57	329.24	3.56	-37.01
O=C(C1=COC(C(F)F)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645676	0	31	-1.0	-42.32	274.37	0.98	-41.34
O=C(C1=COC(C(F)F)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645676	1	31	-1.0	-42.24	274.53	0.98	-41.26
CCSC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645677	0	35	-1.0	-41.74	287.81	3.89	-37.85
CCSC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645677	1	35	-1.0	-41.74	287.97	3.89	-37.85
O=C(CC1COCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645678	0	37	-1.0	-44.53	292.99	2.04	-42.49
O=C(CC1COCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645678	1	37	-1.0	-44.51	293.15	2.04	-42.47
CCC1(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645679	0	41	-1.0	-40.23	303.82	4.80	-35.43
CCC1(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645679	1	41	-1.0	-40.19	303.99	4.79	-35.40
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)F	REAL250004645680	0	34	-1.0	-41.26	277.13	3.71	-37.55
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)F	REAL250004645680	1	34	-1.0	-41.22	277.30	3.71	-37.51
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)C=N1	REAL250004645681	0	37	-1.0	-40.54	297.88	3.55	-36.99
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)C=N1	REAL250004645681	1	37	-1.0	-40.52	298.05	3.55	-36.97
O=C(C1=CN=C2CCCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645682	0	38	-1.0	-41.97	302.15	4.05	-37.92
O=C(C1=CN=C2CCCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645682	1	38	-1.0	-41.94	302.32	4.04	-37.90
CC1(C)CCOC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645683	0	42	-1.0	-43.62	318.22	4.05	-39.57
CC1(C)CCOC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645683	1	42	-1.0	-43.55	318.39	4.04	-39.51
CC1=NC=NC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645684	0	36	-1.0	-39.16	297.08	3.30	-35.86
CC1=NC=NC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645684	1	36	-1.0	-39.12	297.25	3.29	-35.83
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL250004645685	0	36	-1.0	-40.92	296.18	3.53	-37.39
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL250004645685	1	36	-1.0	-40.87	296.35	3.53	-37.34
O=C(C1=CN=NN1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645686	0	35	-1.0	-41.18	286.95	1.99	-39.19
O=C(C1=CN=NN1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645686	1	35	-1.0	-41.16	287.12	1.99	-39.17
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NS1	REAL250004645687	0	31	-1.0	-39.59	268.86	2.48	-37.11
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NS1	REAL250004645687	1	31	-1.0	-39.51	269.03	2.47	-37.04
O=C(C=CC1=CN=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645688	0	34	-1.0	-43.23	289.04	2.21	-41.02
O=C(C=CC1=CN=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645688	1	34	-1.0	-43.17	289.21	2.21	-40.96
O=C(C1=CN=C(F)C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645689	0	31	-1.0	-39.19	270.20	2.27	-36.92
O=C(C1=CN=C(F)C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645689	1	31	-1.0	-39.21	270.36	2.27	-36.94
COC(=O)C(OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645690	0	35	-1.0	-44.44	289.71	2.56	-41.88
COC(=O)C(OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645690	1	35	-1.0	-44.40	289.87	2.55	-41.85
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645691	0	38	-1.0	-47.64	300.36	3.64	-44.00
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645691	1	38	-1.0	-47.60	300.51	3.64	-43.96
O=C([C@@H]1CCC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645692	0	39	-1.0	-41.82	310.58	6.07	-35.75
O=C([C@@H]1CCC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645692	1	39	-1.0	-41.73	310.75	6.06	-35.67
N#CCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645693	0	33	-1.0	-53.06	286.52	3.05	-50.01
N#CCN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645693	1	33	-1.0	-52.97	286.69	3.04	-49.93
O=C(CC1C[C@@H]2COC[C@H]12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645694	0	40	-1.0	-41.19	305.30	3.33	-37.86
O=C(CC1C[C@@H]2COC[C@H]12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645694	1	40	-1.0	-41.17	305.46	3.33	-37.84
CCN1C=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645695	0	34	-1.0	-48.53	281.97	4.24	-44.29
CCN1C=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645695	1	34	-1.0	-48.53	282.13	4.23	-44.30
N#CCN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645696	0	33	-1.0	-44.45	280.81	2.38	-42.07
N#CCN1N=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645696	1	33	-1.0	-44.43	280.97	2.38	-42.05
CC(C)CC(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645697	0	37	-1.0	-40.67	293.04	4.17	-36.50
CC(C)CC(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645697	1	37	-1.0	-40.62	293.21	4.17	-36.45
C=C(Cl)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645698	0	32	-1.0	-39.89	279.29	3.98	-35.91
C=C(Cl)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645698	1	32	-1.0	-39.85	279.46	3.98	-35.87
CC(CC1CCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645699	0	41	-1.0	-40.74	309.87	5.20	-35.54
CC(CC1CCC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645699	1	41	-1.0	-40.73	310.04	5.20	-35.53
O=C(CCCC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645700	0	41	-1.0	-41.01	319.19	5.75	-35.26
O=C(CCCC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645700	1	41	-1.0	-40.98	319.35	5.75	-35.23
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1N	REAL250004645701	0	37	-1.0	-40.90	293.78	2.93	-37.97
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1N	REAL250004645701	1	37	-1.0	-40.92	293.95	2.92	-38.00
NC1=CC=CC(F)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645702	0	34	-1.0	-45.04	287.15	2.18	-42.86
NC1=CC=CC(F)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645702	1	34	-1.0	-45.04	287.31	2.18	-42.86
NC1=C(F)C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645703	0	34	-1.0	-41.18	281.38	2.24	-38.94
NC1=C(F)C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645703	1	34	-1.0	-41.15	281.54	2.23	-38.92
O=C(CC1=CC=C(O)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645704	0	35	-1.0	-47.20	292.49	0.67	-46.53
O=C(CC1=CC=C(O)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645704	1	35	-1.0	-47.15	292.65	0.66	-46.49
O=C(C(F)=CC1=CNC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645706	0	33	-1.0	-47.01	281.11	3.53	-43.48
O=C(C(F)=CC1=CNC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645706	1	33	-1.0	-46.94	281.27	3.54	-43.40
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C	REAL250004645707	0	34	-1.0	-48.61	280.47	2.86	-45.75
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C	REAL250004645707	1	34	-1.0	-48.55	280.64	2.86	-45.69
CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004645708	0	36	-1.0	-41.42	290.65	3.70	-37.72
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004645708	1	36	-1.0	-41.43	290.82	3.70	-37.73
CN1NC(=O)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645709	0	33	-1.0	-42.53	275.81	-0.08	-42.61
CN1NC(=O)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645709	1	33	-1.0	-42.45	275.97	-0.09	-42.54
O=C(C1=CC=NC2=NNC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645710	0	34	-1.0	-46.29	285.94	2.13	-44.16
O=C(C1=CC=NC2=NNC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645710	1	34	-1.0	-46.25	286.11	2.14	-44.11
CN1C(=S)NN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645711	0	32	-1.0	-40.04	277.77	3.37	-36.67
CN1C(=S)NN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645711	1	32	-1.0	-39.97	277.93	3.36	-36.61
CCC1(C)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645712	0	39	-1.0	-41.61	302.39	4.95	-36.66
CCC1(C)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645712	1	39	-1.0	-41.63	302.56	4.94	-36.69
O=C(C[C@@H]1CCC[C@H]1O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645713	0	39	-1.0	-43.81	302.65	1.39	-42.42
O=C(C[C@@H]1CCC[C@H]1O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645713	1	39	-1.0	-43.77	302.82	1.38	-42.39
C#CC[C@]1(O)C[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645714	0	38	-1.0	-45.12	308.00	3.14	-41.98
C#CC[C@]1(O)C[C@@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645714	1	38	-1.0	-45.09	308.17	3.14	-41.95
O=C(CC1CCC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645715	0	37	-1.0	-46.60	294.02	3.85	-42.75
O=C(CC1CCC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645715	1	37	-1.0	-46.55	294.18	3.85	-42.70
CC1(C)CC(O)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645716	0	39	-1.0	-38.48	300.83	1.65	-36.83
CC1(C)CC(O)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645716	1	39	-1.0	-38.47	300.99	1.66	-36.81
CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004645717	0	38	-1.0	-41.23	307.01	4.91	-36.32
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004645717	1	38	-1.0	-41.18	307.17	4.90	-36.28
CCC(F)(F)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645718	0	34	-1.0	-46.28	279.76	3.80	-42.48
CCC(F)(F)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645718	1	34	-1.0	-46.25	279.93	3.80	-42.45
O=C(C1=CN=C2OC=CC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645719	0	34	-1.0	-43.88	283.83	1.22	-42.66
O=C(C1=CN=C2OC=CC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645719	1	34	-1.0	-43.89	284.00	1.22	-42.67
C=CCC(C)(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645720	0	41	-1.0	-40.01	310.31	5.10	-34.91
C=CCC(C)(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645720	1	41	-1.0	-39.95	310.47	5.10	-34.85
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)OC	REAL250004645721	0	38	-1.0	-42.57	296.66	3.36	-39.21
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)OC	REAL250004645721	1	38	-1.0	-42.54	296.82	3.36	-39.18
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004645722	0	44	-1.0	-40.52	327.73	5.98	-34.54
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004645722	1	44	-1.0	-40.46	327.90	5.98	-34.48
CC1=NC=CC=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645723	0	38	-1.0	-43.35	309.57	4.35	-39.00
CC1=NC=CC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645723	1	38	-1.0	-43.35	309.74	4.34	-39.01
CC1=CN=CC=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645724	0	38	-1.0	-42.32	309.67	4.36	-37.96
CC1=CN=CC=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645724	1	38	-1.0	-42.29	309.84	4.35	-37.94
O=C(C1CC2CCC(C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645725	0	42	-1.0	-39.60	305.19	5.29	-34.31
O=C(C1CC2CCC(C2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645725	1	42	-1.0	-39.54	305.36	5.28	-34.26
CC1(C)C(=O)CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645726	0	37	-1.0	-40.27	291.44	3.29	-36.98
CC1(C)C(=O)CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645726	1	37	-1.0	-40.25	291.60	3.28	-36.97
CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645727	0	38	-1.0	-40.70	299.83	4.85	-35.85
CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645727	1	38	-1.0	-40.64	299.99	4.84	-35.80
CCCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC=N1	REAL250004645728	0	37	-1.0	-41.15	300.06	1.20	-39.95
CCCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC=N1	REAL250004645728	1	37	-1.0	-41.09	300.23	1.20	-39.89
CC1=CC=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645729	0	37	-1.0	-44.79	303.69	3.54	-41.25
CC1=CC=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645729	1	37	-1.0	-44.78	303.85	3.54	-41.24
O=C(C1=C2C=CNC2=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645730	0	35	-1.0	-46.57	289.61	2.24	-44.33
O=C(C1=C2C=CNC2=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645730	1	35	-1.0	-46.51	289.78	2.24	-44.27
CC12CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)(C1)CO2	REAL250004645731	0	37	-1.0	-39.21	288.27	2.28	-36.93
CC12CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)(C1)CO2	REAL250004645731	1	37	-1.0	-39.19	288.44	2.27	-36.92
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC(CO1)CCC2	REAL250004645732	0	40	-1.0	-39.99	295.01	3.37	-36.62
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CC(CO1)CCC2	REAL250004645732	1	40	-1.0	-39.99	295.18	3.37	-36.62
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC(C1)CO2	REAL250004645733	0	34	-1.0	-39.83	269.52	2.34	-37.49
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CC(C1)CO2	REAL250004645733	1	34	-1.0	-39.72	269.68	2.35	-37.37
O=CC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004645734	0	35	-1.0	-47.39	296.74	2.42	-44.97
O=CC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004645734	1	35	-1.0	-47.37	296.91	2.42	-44.95
O=C(C1=CC=CN2C=NN=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645735	0	34	-1.0	-60.22	289.65	5.61	-54.61
O=C(C1=CC=CN2C=NN=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645735	1	34	-1.0	-60.18	289.82	5.61	-54.57
CCCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004645736	0	39	-1.0	-41.26	312.15	4.49	-36.77
CCCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004645736	1	39	-1.0	-41.27	312.32	4.48	-36.79
O=C([C@@H]1CC=CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645737	0	36	-1.0	-39.80	280.88	4.45	-35.35
O=C([C@@H]1CC=CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645737	1	36	-1.0	-39.74	281.05	4.45	-35.29
O=C(CC1CC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645738	0	34	-1.0	-45.85	278.46	3.31	-42.54
O=C(CC1CC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645738	1	34	-1.0	-45.83	278.63	3.30	-42.53
O=C(C1=CC=CC2=CN=NN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645739	0	34	-1.0	-57.00	289.13	2.64	-54.36
O=C(C1=CC=CC2=CN=NN21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645739	1	34	-1.0	-56.98	289.30	2.63	-54.35
CN(C)C(=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645740	0	32	-1.0	-39.77	265.72	0.62	-39.15
CN(C)C(=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645740	1	32	-1.0	-39.73	265.89	0.63	-39.10
C#CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCC1	REAL250004645741	0	40	-1.0	-43.07	305.92	5.10	-37.97
C#CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCC1	REAL250004645741	1	40	-1.0	-43.04	306.08	5.10	-37.94
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(N2C=NC=N2)CC1	REAL250004645742	0	35	-1.0	-38.92	292.24	4.55	-34.37
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(N2C=NC=N2)CC1	REAL250004645742	1	35	-1.0	-38.87	292.41	4.54	-34.33
CC1=CC=CN=C1C=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645743	0	38	-1.0	-43.21	311.84	4.59	-38.62
CC1=CC=CN=C1C=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645743	1	38	-1.0	-43.19	312.01	4.59	-38.60
CCC1=CSC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645744	0	35	-1.0	-41.27	294.64	4.54	-36.73
CCC1=CSC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645744	1	35	-1.0	-41.18	294.81	4.54	-36.64
CC(C)C1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645745	0	41	-1.0	-40.74	315.48	5.30	-35.44
CC(C)C1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645745	1	41	-1.0	-40.72	315.65	5.30	-35.42
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NNC1=O	REAL250004645746	0	34	-1.0	-40.46	283.15	0.76	-39.70
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NNC1=O	REAL250004645746	1	34	-1.0	-40.45	283.32	0.76	-39.69
O=C(C1=C2C=CC=CN2N=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645747	0	34	-1.0	-48.86	284.12	3.05	-45.81
O=C(C1=C2C=CC=CN2N=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645747	1	34	-1.0	-48.83	284.28	3.05	-45.78
CC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004645748	0	33	-1.0	-46.12	276.74	2.58	-43.54
CC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004645748	1	33	-1.0	-46.10	276.90	2.58	-43.52
CN1C=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004645749	0	34	-1.0	-55.82	287.20	2.77	-53.05
CN1C=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004645749	1	34	-1.0	-55.80	287.37	2.77	-53.03
CC(C)(CC#N)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645750	0	35	-1.0	-40.46	275.21	3.01	-37.45
CC(C)(CC#N)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645750	1	35	-1.0	-40.43	275.37	3.01	-37.42
O=C(C=CC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645751	0	36	-1.0	-42.07	296.85	5.60	-36.47
O=C(C=CC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645751	1	36	-1.0	-42.02	297.02	5.59	-36.43
COC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1C	REAL250004645752	0	38	-1.0	-40.05	306.05	3.86	-36.19
COC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1C	REAL250004645752	1	38	-1.0	-40.01	306.21	3.86	-36.15
CC1(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645753	0	34	-1.0	-39.70	281.70	-1.22	-40.92
CC1(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645753	1	34	-1.0	-39.65	281.86	-1.23	-40.88
CC(C)(C)OC(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645754	0	40	-1.0	-46.87	314.81	5.05	-41.82
CC(C)(C)OC(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645754	1	40	-1.0	-46.83	314.98	5.05	-41.78
O=C(C1=CC2=CN=CN=C2N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645755	0	34	-1.0	-41.23	283.49	3.63	-37.60
O=C(C1=CC2=CN=CN=C2N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645755	1	34	-1.0	-41.20	283.65	3.62	-37.58
CC(C)(C)C(=O)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645756	0	42	-1.0	-40.95	330.03	4.64	-36.31
CC(C)(C)C(=O)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645756	1	42	-1.0	-40.86	330.20	4.64	-36.22
O=C(C1=CN=CC(F)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645757	0	30	-1.0	-39.94	258.83	1.27	-38.67
O=C(C1=CN=CC(F)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645757	1	30	-1.0	-39.89	259.00	1.27	-38.62
C#CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCO1	REAL250004645758	0	38	-1.0	-43.98	297.78	3.87	-40.11
C#CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCO1	REAL250004645758	1	38	-1.0	-43.94	297.94	3.87	-40.07
CC1=NC(C#N)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645759	0	35	-1.0	-42.84	298.34	3.26	-39.58
CC1=NC(C#N)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645759	1	35	-1.0	-42.85	298.50	3.25	-39.60
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CC12CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)(C1)OC2	REAL250004645763	0	37	-1.0	-39.24	291.33	2.87	-36.37
CC12CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)(C1)OC2	REAL250004645763	1	37	-1.0	-39.18	291.50	2.87	-36.31
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CC1(F)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645766	1	35	-1.0	-38.94	281.24	4.02	-34.92
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CCSCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645767	1	32	-1.0	-42.56	272.66	3.48	-39.08
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CC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645769	1	36	-1.0	-43.75	281.88	3.31	-40.44
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CC1OC2(C)CC1(C(=O)N1CCN(C3=N[N-]N=N3)CC1)C2	REAL250004645771	1	40	-1.0	-40.23	306.75	2.91	-37.32
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CC12CCC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)(CO1)C2	REAL250004645776	1	40	-1.0	-39.69	302.12	2.85	-36.84
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CC1(C)CC1(C#N)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645778	0	36	-1.0	-39.47	294.37	4.05	-35.42
CC1(C)CC1(C#N)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645778	1	36	-1.0	-39.40	294.53	4.04	-35.36
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CCC1=CNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645782	0	36	-1.0	-42.87	290.59	3.86	-39.01
CCC1=CNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645782	1	36	-1.0	-42.84	290.75	3.85	-38.99
COCCOCC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645783	0	40	-1.0	-45.60	329.30	1.97	-43.63
COCCOCC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645783	1	40	-1.0	-45.55	329.46	1.97	-43.58
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CC1=CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645785	0	39	-1.0	-40.30	301.83	5.08	-35.22
CC1=CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645785	1	39	-1.0	-40.25	302.00	5.07	-35.18
CC[C@H](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004645786	0	43	-1.0	-40.32	314.64	5.11	-35.21
CC[C@H](CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004645786	1	43	-1.0	-40.27	314.81	5.11	-35.16
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL250004645787	0	35	-1.0	-41.69	297.39	4.81	-36.88
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CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=NC=N1	REAL250004645789	0	37	-1.0	-40.70	302.54	5.02	-35.68
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=NC=N1	REAL250004645789	1	37	-1.0	-40.66	302.71	5.01	-35.65
C#CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOC1	REAL250004645790	0	38	-1.0	-42.35	296.54	2.52	-39.83
C#CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOC1	REAL250004645790	1	38	-1.0	-42.35	296.71	2.53	-39.82
CCC=CC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645791	0	36	-1.0	-41.41	296.72	4.89	-36.52
CCC=CC=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645791	1	36	-1.0	-41.34	296.88	4.89	-36.45
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CCN1C(=O)CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645793	0	39	-1.0	-47.02	309.23	3.23	-43.79
CCN1C(=O)CCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645793	1	39	-1.0	-47.03	309.40	3.24	-43.79
O=C(CC1CC=CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645794	0	36	-1.0	-41.56	284.05	4.67	-36.89
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O=C(C1=CC=NC2=C1CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645795	1	38	-1.0	-41.79	304.41	4.20	-37.59
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1	REAL250004645796	0	33	-1.0	-43.66	269.28	2.57	-41.09
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1	REAL250004645796	1	33	-1.0	-43.63	269.45	2.56	-41.07
O=C(C1CCOC(=O)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645797	0	38	-1.0	-48.58	298.32	3.62	-44.96
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CCN1N=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL250004645799	0	37	-1.0	-44.08	299.12	2.36	-41.72
CCN1N=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL250004645799	1	37	-1.0	-44.00	299.29	2.35	-41.65
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CC1=NN=NN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645801	0	33	-1.0	-52.58	277.97	1.45	-51.13
CC1=NN=NN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645801	1	33	-1.0	-52.49	278.13	1.44	-51.05
CN1N=NC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645802	0	34	-1.0	-49.55	282.40	1.44	-48.11
CN1N=NC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645802	1	34	-1.0	-49.51	282.56	1.44	-48.07
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CC1(C)COCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645805	0	42	-1.0	-39.47	304.44	3.03	-36.44
CC1(C)COCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645805	1	42	-1.0	-39.46	304.61	3.02	-36.44
O=C(C1=CC=CC2=NN=CN21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645806	0	34	-1.0	-48.93	288.59	5.23	-43.70
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CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004645807	0	33	-1.0	-47.82	280.32	1.11	-46.71
CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004645807	1	33	-1.0	-47.70	280.49	1.10	-46.60
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O=C(C1=CC=C2C=COC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645808	1	35	-1.0	-44.28	291.09	4.42	-39.86
C#CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645809	0	34	-1.0	-44.16	290.01	5.24	-38.92
C#CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645809	1	34	-1.0	-44.15	290.17	5.25	-38.90
CCN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL250004645810	0	38	-1.0	-44.58	306.91	3.81	-40.77
CCN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL250004645810	1	38	-1.0	-44.51	307.07	3.81	-40.70
CCCN1C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645811	0	39	-1.0	-42.53	308.52	5.16	-37.37
CCCN1C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645811	1	39	-1.0	-42.51	308.69	5.16	-37.35
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O=C(C1=CCCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645813	0	34	-1.0	-40.77	274.77	2.05	-38.72
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CCC1=NON=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645814	0	33	-1.0	-36.93	275.28	2.69	-34.24
CCC1=NON=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645814	1	33	-1.0	-36.88	275.45	2.68	-34.20
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O=C(CC1CC2(CCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645816	0	42	-1.0	-41.23	324.64	6.04	-35.19
O=C(CC1CC2(CCC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645816	1	42	-1.0	-41.21	324.81	6.04	-35.17
O=C(C1=NOC(CF)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645817	0	31	-1.0	-42.50	267.40	2.89	-39.61
O=C(C1=NOC(CF)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645817	1	31	-1.0	-42.45	267.57	2.90	-39.55
CN1C=C(OCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004645818	0	36	-1.0	-46.90	301.68	2.80	-44.10
CN1C=C(OCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004645818	1	36	-1.0	-46.85	301.85	2.80	-44.05
C=CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL250004645819	0	36	-1.0	-40.68	275.09	4.42	-36.26
C=CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL250004645819	1	36	-1.0	-40.64	275.26	4.43	-36.21
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(C1)OC2	REAL250004645820	0	37	-1.0	-40.05	278.21	2.10	-37.95
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(C1)OC2	REAL250004645820	1	37	-1.0	-39.99	278.38	2.11	-37.88
CCC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645821	0	34	-1.0	-39.23	282.29	2.93	-36.30
CCC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645821	1	34	-1.0	-39.21	282.46	2.93	-36.28
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645822	0	44	-1.0	-40.64	323.13	5.54	-35.10
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645822	1	44	-1.0	-40.58	323.30	5.53	-35.05
C[C@@H]1C[C@]2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@H]12	REAL250004645823	0	36	-1.0	-40.74	283.80	4.56	-36.18
C[C@@H]1C[C@]2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@H]12	REAL250004645823	1	36	-1.0	-40.69	283.97	4.55	-36.14
O=C(C=CC1=CC=NC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645824	0	35	-1.0	-42.96	291.86	3.84	-39.12
O=C(C=CC1=CC=NC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645824	1	35	-1.0	-42.91	292.02	3.84	-39.07
O=C(C1CC2=CC=CN=C2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645825	0	38	-1.0	-43.71	301.44	4.20	-39.51
O=C(C1CC2=CC=CN=C2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645825	1	38	-1.0	-43.63	301.61	4.20	-39.43
O=C(C1CC(C2CC2)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645826	0	37	-1.0	-47.51	301.67	4.24	-43.27
O=C(C1CC(C2CC2)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645826	1	37	-1.0	-47.50	301.83	4.24	-43.26
O=C(C1COC(=O)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645827	0	30	-1.0	-49.66	253.64	2.41	-47.25
O=C(C1COC(=O)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645827	1	30	-1.0	-49.61	253.80	2.41	-47.20
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCOC1	REAL250004645828	0	39	-1.0	-41.60	300.00	2.54	-39.06
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCOC1	REAL250004645828	1	39	-1.0	-41.52	300.17	2.53	-38.99
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645829	0	36	-1.0	-40.41	276.14	4.47	-35.94
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645829	1	36	-1.0	-40.31	276.30	4.48	-35.83
O=C(C1COC2COCC21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645830	0	38	-1.0	-40.57	291.80	0.60	-39.97
O=C(C1COC2COCC21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645830	1	38	-1.0	-40.55	291.96	0.61	-39.94
CC1CCOC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645831	0	39	-1.0	-43.83	304.32	3.70	-40.13
CC1CCOC1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645831	1	39	-1.0	-43.76	304.48	3.70	-40.06
C=C1CC2(C1)CC(C(=O)N1CCN(C3=NN=N[N-]3)CC1)C2	REAL250004645832	0	40	-1.0	-40.70	316.04	5.72	-34.98
C=C1CC2(C1)CC(C(=O)N1CCN(C3=N[N-]N=N3)CC1)C2	REAL250004645832	1	40	-1.0	-40.69	316.20	5.72	-34.97
O=C(C1CCC2C1C2(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645833	0	36	-1.0	-43.77	284.93	4.52	-39.25
O=C(C1CCC2C1C2(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645833	1	36	-1.0	-43.73	285.10	4.52	-39.21
O=C(CC12CCC(CC1)C2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645834	0	42	-1.0	-41.07	311.54	5.70	-35.37
O=C(CC12CCC(CC1)C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645834	1	42	-1.0	-41.05	311.71	5.69	-35.36
CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004645835	0	33	-1.0	-42.09	269.10	2.96	-39.13
CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004645835	1	33	-1.0	-42.08	269.26	2.97	-39.11
CCCOCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645836	0	41	-1.0	-43.16	326.53	3.75	-39.41
CCCOCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645836	1	41	-1.0	-43.09	326.69	3.74	-39.35
CN1N=CC(C#N)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645837	0	33	-1.0	-40.03	291.09	2.19	-37.84
CN1N=CC(C#N)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645837	1	33	-1.0	-39.97	291.26	2.19	-37.78
CC(C)C(C)C(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645838	0	46	-1.0	-40.29	333.06	5.61	-34.68
CC(C)C(C)C(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645838	1	46	-1.0	-40.22	333.22	5.61	-34.61
CO[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004645839	0	37	-1.0	-43.39	298.09	2.92	-40.47
CO[C@@H]1C[C@@]2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004645839	1	37	-1.0	-43.31	298.25	2.92	-40.39
CC1(C)CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CO1	REAL250004645840	0	42	-1.0	-40.16	314.75	3.33	-36.83
CC1(C)CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CO1	REAL250004645840	1	42	-1.0	-40.19	314.91	3.32	-36.87
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCCC1C2(F)F	REAL250004645841	0	36	-1.0	-42.24	291.03	4.50	-37.74
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCCC1C2(F)F	REAL250004645841	1	36	-1.0	-42.19	291.20	4.49	-37.70
O=C(C1=C(C2CC2)C=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645842	0	36	-1.0	-42.14	292.02	4.47	-37.67
O=C(C1=C(C2CC2)C=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645842	1	36	-1.0	-42.06	292.19	4.47	-37.59
CC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCO1	REAL250004645843	0	39	-1.0	-42.27	295.22	3.80	-38.47
CC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCO1	REAL250004645843	1	39	-1.0	-42.23	295.39	3.80	-38.43
O=C(C1=NC2=CC=CNC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645844	0	35	-1.0	-58.69	290.41	3.12	-55.57
O=C(C1=NC2=CC=CNC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645844	1	35	-1.0	-58.68	290.57	3.11	-55.57
O=C(C1C2C3CC1C(=O)C32)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645845	0	36	-1.0	-46.11	286.00	4.02	-42.09
O=C(C1C2C3CC1C(=O)C32)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645845	1	36	-1.0	-46.10	286.17	4.01	-42.09
O=C(C1=CC=CN2N=NC=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645846	0	34	-1.0	-50.61	290.41	2.79	-47.82
O=C(C1=CC=CN2N=NC=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645846	1	34	-1.0	-50.58	290.57	2.78	-47.80
COCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N1	REAL250004645847	0	37	-1.0	-42.49	301.68	2.11	-40.38
COCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N1	REAL250004645847	1	37	-1.0	-42.45	301.84	2.10	-40.35
O=C(CC1CC2(CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645848	0	39	-1.0	-41.43	308.22	5.60	-35.83
O=C(CC1CC2(CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645848	1	39	-1.0	-41.39	308.39	5.59	-35.80
CC1=NN(C)C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645849	0	38	-1.0	-46.52	310.94	3.24	-43.28
CC1=NN(C)C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645849	1	38	-1.0	-46.48	311.11	3.23	-43.25
CCC(C)CC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645850	0	43	-1.0	-40.38	322.55	5.23	-35.15
CCC(C)CC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645850	1	43	-1.0	-40.35	322.72	5.22	-35.13
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(F)(CC1)C2	REAL250004645851	0	39	-1.0	-40.87	295.43	4.63	-36.24
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(F)(CC1)C2	REAL250004645851	1	39	-1.0	-40.79	295.60	4.63	-36.16
CC1(C)CC2(CC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645852	0	42	-1.0	-40.75	323.53	5.90	-34.85
CC1(C)CC2(CC2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645852	1	42	-1.0	-40.75	323.69	5.89	-34.86
O=C(C1CCCC12CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645853	0	42	-1.0	-39.87	309.93	5.69	-34.18
O=C(C1CCCC12CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645853	1	42	-1.0	-39.80	310.10	5.68	-34.12
C=C1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)(C(F)F)C1	REAL250004645854	0	36	-1.0	-39.22	292.34	4.21	-35.01
C=C1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)(C(F)F)C1	REAL250004645854	1	36	-1.0	-39.17	292.50	4.21	-34.96
O=C([C@H]1CC1(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645855	0	29	-1.0	-43.00	250.95	3.00	-40.00
O=C([C@H]1CC1(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645855	1	29	-1.0	-42.95	251.12	3.00	-39.95
CC12CC(CC(=O)N3CCN(C4=NN=N[N-]4)CC3)(C1)CO2	REAL250004645856	0	40	-1.0	-43.81	310.62	3.33	-40.48
CC12CC(CC(=O)N3CCN(C4=N[N-]N=N4)CC3)(C1)CO2	REAL250004645856	1	40	-1.0	-43.73	310.79	3.33	-40.40
C[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004645857	0	36	-1.0	-41.00	285.65	4.58	-36.42
C[C@@H]1C[C@@]2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004645857	1	36	-1.0	-40.97	285.82	4.58	-36.39
CC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C#N	REAL250004645858	0	35	-1.0	-40.53	298.72	3.20	-37.33
CC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C#N	REAL250004645858	1	35	-1.0	-40.47	298.89	3.19	-37.28
O=C([C@@H]1CCC(=O)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645859	0	32	-1.0	-47.47	263.00	3.28	-44.19
O=C([C@@H]1CCC(=O)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645859	1	32	-1.0	-47.42	263.16	3.27	-44.15
O=C(C(F)C1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645860	0	35	-1.0	-41.21	279.05	4.14	-37.07
O=C(C(F)C1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645860	1	35	-1.0	-41.14	279.22	4.14	-37.00
O=C(C(F)C1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645861	0	36	-1.0	-42.29	284.67	2.17	-40.12
O=C(C(F)C1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645861	1	36	-1.0	-42.28	284.83	2.17	-40.11
CCC1(C)CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645862	0	42	-1.0	-44.24	318.64	4.60	-39.64
CCC1(C)CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004645862	1	42	-1.0	-44.23	318.81	4.59	-39.64
O=C(C1CC2(CCC2)CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645863	0	40	-1.0	-43.27	307.13	4.27	-39.00
O=C(C1CC2(CCC2)CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645863	1	40	-1.0	-43.21	307.29	4.29	-38.92
O=C(C1CC2(CC(F)C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645864	0	39	-1.0	-41.17	309.09	5.29	-35.88
O=C(C1CC2(CC(F)C2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645864	1	39	-1.0	-41.12	309.26	5.28	-35.84
O=C(C1=CC2=CN=NN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645865	0	34	-1.0	-43.90	289.37	2.85	-41.05
O=C(C1=CC2=CN=NN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645865	1	34	-1.0	-43.86	289.54	2.84	-41.02
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC(C1)OC2	REAL250004645866	0	34	-1.0	-39.66	266.46	1.65	-38.01
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CC(C1)OC2	REAL250004645866	1	34	-1.0	-39.58	266.63	1.65	-37.93
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645867	0	34	-1.0	-40.45	284.03	-0.04	-40.49
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645867	1	34	-1.0	-40.44	284.19	-0.04	-40.48
[N-]=[N+]=NC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645868	0	37	-1.0	-42.04	300.45	0.60	-41.44
[N-]=[N+]=NC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645868	1	37	-1.0	-42.00	300.61	0.60	-41.40
COC1=CN=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645869	0	34	-1.0	-42.57	282.44	1.00	-41.57
COC1=CN=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645869	1	34	-1.0	-42.56	282.61	1.00	-41.56
C[C@H]1C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@H]1C	REAL250004645870	0	35	-1.0	-40.67	275.61	4.09	-36.58
C[C@H]1C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)[C@H]1C	REAL250004645870	1	35	-1.0	-40.64	275.77	4.08	-36.56
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645871	0	35	-1.0	-40.03	291.46	4.41	-35.62
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645871	1	35	-1.0	-39.96	291.63	4.41	-35.55
CC1CC(=O)NCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645872	0	39	-1.0	-43.08	299.04	1.02	-42.06
CC1CC(=O)NCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645872	1	39	-1.0	-43.05	299.20	1.01	-42.04
CC1(C)C(C)(C)C1(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645873	0	41	-1.0	-40.23	308.32	4.63	-35.60
CC1(C)C(C)(C)C1(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645873	1	41	-1.0	-40.16	308.48	4.63	-35.53
COC1(C#N)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645874	0	37	-1.0	-43.20	305.18	2.43	-40.77
COC1(C#N)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645874	1	37	-1.0	-43.16	305.34	2.43	-40.73
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645875	0	36	-1.0	-42.97	274.21	1.79	-41.18
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645875	1	36	-1.0	-42.94	274.38	1.79	-41.15
CC1(C)CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CO1	REAL250004645876	0	42	-1.0	-43.43	324.04	3.67	-39.76
CC1(C)CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CO1	REAL250004645876	1	42	-1.0	-43.36	324.20	3.67	-39.69
O=C(C1CCCCC(=O)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645877	0	40	-1.0	-41.43	303.73	4.03	-37.40
O=C(C1CCCCC(=O)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645877	1	40	-1.0	-41.40	303.89	4.02	-37.38
O=C(C1CCC2(CCC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645878	0	40	-1.0	-43.68	308.09	4.56	-39.12
O=C(C1CCC2(CCC2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645878	1	40	-1.0	-43.61	308.25	4.56	-39.05
CC1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645879	0	44	-1.0	-39.52	314.69	5.33	-34.19
CC1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004645879	1	44	-1.0	-39.44	314.87	5.33	-34.11
O=C([C@@H]1CC1(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645880	0	29	-1.0	-43.75	249.16	3.05	-40.70
O=C([C@@H]1CC1(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645880	1	29	-1.0	-43.71	249.32	3.05	-40.66
O=C([C@@H]1C[C@@H]1C(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645881	0	32	-1.0	-45.65	260.83	3.76	-41.89
O=C([C@@H]1C[C@@H]1C(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645881	1	32	-1.0	-45.62	260.99	3.76	-41.86
O=C(C1=NC2=NC=CN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645882	0	34	-1.0	-48.19	285.07	6.06	-42.13
O=C(C1=NC2=NC=CN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645882	1	34	-1.0	-48.15	285.23	6.05	-42.10
CC1=C(Cl)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1	REAL250004645883	0	32	-1.0	-43.91	279.91	2.20	-41.71
CC1=C(Cl)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1	REAL250004645883	1	32	-1.0	-43.87	280.07	2.21	-41.66
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(=O)C1	REAL250004645884	0	32	-1.0	-42.31	271.47	2.21	-40.10
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(=O)C1	REAL250004645884	1	32	-1.0	-42.21	271.63	2.20	-40.01
CC12CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)(C1)CCO2	REAL250004645885	0	40	-1.0	-39.56	300.80	2.85	-36.71
CC12CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)(C1)CCO2	REAL250004645885	1	40	-1.0	-39.53	300.97	2.84	-36.69
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004645886	0	35	-1.0	-42.25	294.83	0.57	-41.68
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004645886	1	35	-1.0	-42.23	294.99	0.56	-41.67
CC(C)C1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645887	0	39	-1.0	-44.67	311.16	4.06	-40.61
CC(C)C1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645887	1	39	-1.0	-44.64	311.32	4.06	-40.58
CC(C)(C#N)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645888	0	38	-1.0	-46.89	303.98	4.20	-42.69
CC(C)(C#N)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645888	1	38	-1.0	-46.82	304.14	4.20	-42.62
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645889	0	34	-1.0	-41.28	290.33	1.76	-39.52
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645889	1	34	-1.0	-41.27	290.49	1.77	-39.50
[N-]=[N+]=NCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645890	0	30	-1.0	-40.03	258.10	-1.26	-41.29
[N-]=[N+]=NCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645890	1	30	-1.0	-39.98	258.26	-1.26	-41.24
[N-]=[N+]=NCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645891	0	33	-1.0	-43.78	279.64	-0.43	-44.21
[N-]=[N+]=NCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645891	1	33	-1.0	-43.71	279.81	-0.44	-44.15
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645892	0	37	-1.0	-38.90	309.00	-1.22	-40.12
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645892	1	37	-1.0	-38.86	309.17	-1.22	-40.08
O=C(C1CC(C2CCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645893	0	42	-1.0	-40.57	323.13	6.05	-34.52
O=C(C1CC(C2CCC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645893	1	42	-1.0	-40.52	323.30	6.04	-34.48
CNC(=O)NC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645894	0	37	-1.0	-43.50	299.54	-0.93	-44.43
CNC(=O)NC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645894	1	37	-1.0	-43.48	299.71	-0.94	-44.42
CNC(=O)N[C@@H](C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645895	0	37	-1.0	-41.92	300.16	-0.92	-42.84
CNC(=O)N[C@@H](C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645895	1	37	-1.0	-41.91	300.33	-0.93	-42.84
CNC(=O)N[C@H](C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645896	0	37	-1.0	-43.49	299.78	-0.94	-44.43
CNC(=O)N[C@H](C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645896	1	37	-1.0	-43.45	299.95	-0.94	-44.39
CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645897	0	40	-1.0	-41.73	304.28	-1.48	-43.21
CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645897	1	40	-1.0	-41.72	304.45	-1.49	-43.21
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CCCC1	REAL250004645898	0	39	-1.0	-41.05	289.93	4.45	-36.60
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CCCC1	REAL250004645898	1	39	-1.0	-41.04	290.10	4.44	-36.60
CC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCS1	REAL250004645899	0	39	-1.0	-40.35	298.76	4.89	-35.46
CC1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCS1	REAL250004645899	1	39	-1.0	-40.30	298.92	4.89	-35.41
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CCC2)CC1	REAL250004645900	0	39	-1.0	-41.58	292.50	4.84	-36.74
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CCC2)CC1	REAL250004645900	1	39	-1.0	-41.51	292.67	4.83	-36.68
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=NC=C2)CC1	REAL250004645901	0	38	-1.0	-41.50	307.41	4.22	-37.28
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=NC=C2)CC1	REAL250004645901	1	38	-1.0	-41.40	307.58	4.21	-37.19
CC(C)(F)CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645902	0	37	-1.0	-41.68	293.47	4.22	-37.46
CC(C)(F)CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645902	1	37	-1.0	-41.62	293.63	4.22	-37.40
COC1CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645903	0	42	-1.0	-42.73	331.10	3.92	-38.81
COC1CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645903	1	42	-1.0	-42.65	331.27	3.92	-38.73
CCCCC[C@@H](O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645904	0	44	-1.0	-44.09	344.67	3.61	-40.48
CCCCC[C@@H](O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645904	1	44	-1.0	-44.07	344.84	3.61	-40.46
CCC1=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004645905	0	37	-1.0	-41.20	300.55	4.22	-36.98
CCC1=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL250004645905	1	37	-1.0	-41.14	300.71	4.21	-36.93
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(F)CC2(CCC2)C1	REAL250004645906	0	39	-1.0	-37.55	307.26	5.18	-32.37
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(F)CC2(CCC2)C1	REAL250004645906	1	39	-1.0	-37.47	307.43	5.18	-32.29
O=C(C1CCCCNC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645907	0	39	-1.0	-37.62	284.92	1.07	-36.55
O=C(C1CCCCNC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645907	1	39	-1.0	-37.61	285.08	1.06	-36.55
O=C(CN1C=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645908	0	31	-1.0	-49.22	262.99	3.93	-45.29
O=C(CN1C=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645908	1	31	-1.0	-49.22	263.16	3.93	-45.29
COCC(C)(O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645909	0	39	-1.0	-45.65	307.24	0.58	-45.07
COCC(C)(O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645909	1	39	-1.0	-45.66	307.41	0.58	-45.08
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CS1	REAL250004645910	0	35	-1.0	-40.91	292.02	4.55	-36.36
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CS1	REAL250004645910	1	35	-1.0	-40.90	292.19	4.55	-36.35
CCC1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645912	0	36	-1.0	-45.56	290.96	3.51	-42.05
CCC1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645912	1	36	-1.0	-45.55	291.14	3.51	-42.04
O=C(C(F)C1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645913	0	39	-1.0	-42.51	301.72	2.96	-39.55
O=C(C(F)C1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645913	1	39	-1.0	-42.46	301.89	2.95	-39.51
CCC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004645914	0	37	-1.0	-42.90	300.94	4.56	-38.34
CCC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004645914	1	37	-1.0	-42.85	301.11	4.56	-38.29
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SN=C1	REAL250004645915	0	31	-1.0	-39.67	267.54	2.40	-37.27
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SN=C1	REAL250004645915	1	31	-1.0	-39.66	267.70	2.39	-37.27
CC(C)(CCC#N)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645916	0	38	-1.0	-47.74	293.54	3.82	-43.92
CC(C)(CCC#N)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645916	1	38	-1.0	-47.71	293.70	3.81	-43.90
CC(C)(F)C(C)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645917	0	37	-1.0	-40.50	285.27	3.71	-36.79
CC(C)(F)C(C)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645917	1	37	-1.0	-40.43	285.44	3.70	-36.73
N#CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2CC2C1	REAL250004645918	0	37	-1.0	-37.48	294.51	4.34	-33.14
N#CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2CC2C1	REAL250004645918	1	37	-1.0	-37.45	294.68	4.34	-33.11
C#CCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645919	0	31	-1.0	-46.39	268.32	3.00	-43.39
C#CCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645919	1	31	-1.0	-46.36	268.49	3.01	-43.35
O=C([C@H]1CC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645920	0	30	-1.0	-46.52	252.53	-1.28	-47.80
O=C([C@H]1CC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645920	1	30	-1.0	-46.46	252.69	-1.28	-47.74
CC1(C)NC(=O)CC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645921	0	39	-1.0	-43.46	299.48	0.68	-42.78
CC1(C)NC(=O)CC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645921	1	39	-1.0	-43.38	299.65	0.68	-42.70
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645922	0	37	-1.0	-45.34	290.54	0.86	-44.48
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645922	1	37	-1.0	-45.32	290.71	0.86	-44.46
CC1CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)O1	REAL250004645923	0	42	-1.0	-41.60	318.87	3.57	-38.03
CC1CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)O1	REAL250004645923	1	42	-1.0	-41.57	319.04	3.56	-38.01
O=C(C1=COC(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645924	0	29	-1.0	-39.77	260.51	2.72	-37.05
O=C(C1=COC(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645924	1	29	-1.0	-39.75	260.68	2.71	-37.04
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(F)=C1	REAL250004645925	0	32	-1.0	-38.55	278.68	3.85	-34.70
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(F)=C1	REAL250004645925	1	32	-1.0	-38.51	278.85	3.84	-34.67
O=C(C1C2C3CC1CC32)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645926	0	37	-1.0	-41.24	282.65	4.86	-36.38
O=C(C1C2C3CC1CC32)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645926	1	37	-1.0	-41.25	282.81	4.85	-36.40
CC(C)CCCOCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645927	0	44	-1.0	-43.26	344.60	5.34	-37.92
CC(C)CCCOCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645927	1	44	-1.0	-43.24	344.77	5.34	-37.90
O=C(C=CC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645928	0	36	-1.0	-41.06	288.87	4.81	-36.25
O=C(C=CC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645928	1	36	-1.0	-41.06	289.04	4.81	-36.25
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN1C	REAL250004645929	0	36	-1.0	-45.99	290.90	4.18	-41.81
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN1C	REAL250004645929	1	36	-1.0	-45.96	291.07	4.17	-41.79
O=C(CC1=CN=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645930	0	30	-1.0	-45.64	266.77	1.79	-43.85
O=C(CC1=CN=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645930	1	30	-1.0	-45.59	266.94	1.78	-43.81
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645932	0	39	-1.0	-41.25	315.39	6.43	-34.82
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645932	1	39	-1.0	-41.21	315.55	6.43	-34.78
CN(NC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004645933	0	39	-1.0	-44.82	323.74	2.57	-42.25
CN(NC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004645933	1	39	-1.0	-44.86	323.80	2.58	-42.28
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004645934	0	38	-1.0	-46.52	305.68	1.26	-45.26
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004645934	1	38	-1.0	-46.55	305.74	1.27	-45.28
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC2=CC=CC=C2C1	REAL250004645935	0	42	-1.0	-48.67	333.26	7.08	-41.59
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC2=CC=CC=C2C1	REAL250004645935	1	42	-1.0	-48.66	333.32	7.09	-41.57
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H]1O	REAL250004645936	0	36	-1.0	-39.86	294.71	2.51	-37.35
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@H]1O	REAL250004645936	1	36	-1.0	-38.56	295.48	2.46	-36.10
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004645937	0	33	-1.0	-37.08	282.17	0.27	-36.81
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004645937	1	33	-1.0	-37.01	282.24	0.27	-36.74
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCCC[C@H]1O	REAL250004645938	0	39	-1.0	-48.59	302.42	0.71	-47.88
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCCC[C@H]1O	REAL250004645938	1	39	-1.0	-48.59	302.48	0.73	-47.86
CC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004645939	0	32	-1.0	-50.20	283.00	2.92	-47.28
CC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004645939	1	32	-1.0	-50.23	283.06	2.94	-47.29
CC(=O)OC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004645940	0	32	-1.0	-39.85	290.86	2.94	-36.91
CC(=O)OC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004645940	1	32	-1.0	-39.85	290.92	2.96	-36.89
CC1(C)C2CCC(C2)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004645941	0	42	-1.0	-47.22	315.85	4.80	-42.42
CC1(C)C2CCC(C2)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004645941	1	42	-1.0	-47.20	315.91	4.82	-42.38
O=C(CCCC1=N[N-]N=N1)NC1(CCCO)CC1	REAL250004645942	0	36	-1.0	-48.42	303.46	0.14	-48.28
O=C(CCCC1=NN=N[N-]1)NC1(CCCO)CC1	REAL250004645942	1	36	-1.0	-48.51	303.52	0.16	-48.35
O=C(NC1(CCCO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645943	0	36	-1.0	-38.59	314.08	-0.06	-38.65
O=C(NC1(CCCO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645943	1	36	-1.0	-38.59	314.15	-0.05	-38.64
CC12CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)(C1)C2	REAL250004645944	0	36	-1.0	-55.21	300.92	5.62	-49.59
CC12CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)(C1)C2	REAL250004645944	1	36	-1.0	-54.98	300.59	5.69	-49.29
CC12CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)C2	REAL250004645945	0	33	-1.0	-35.96	286.76	2.55	-33.41
CC12CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)C2	REAL250004645945	1	33	-1.0	-35.92	286.83	2.56	-33.36
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CCOC1	REAL250004645946	0	41	-1.0	-46.84	307.32	1.61	-45.23
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CCOC1	REAL250004645946	1	41	-1.0	-46.89	307.38	1.63	-45.26
CCC1=NN(C)C(CC)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004645947	0	41	-1.0	-51.88	344.73	3.80	-48.08
CCC1=NN(C)C(CC)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004645947	1	41	-1.0	-51.97	344.79	3.82	-48.15
CC1(C)COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004645948	0	39	-1.0	-49.03	298.01	3.69	-45.34
CC1(C)COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004645948	1	39	-1.0	-49.03	298.07	3.70	-45.33
CC[C@@H](C(=O)OC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004645950	0	37	-1.0	-47.62	307.27	4.35	-43.27
CC[C@@H](C(=O)OC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004645950	1	37	-1.0	-47.62	307.33	4.37	-43.25
O=C(CCCC1=N[N-]N=N1)N1CCC2COCCC21	REAL250004645951	0	37	-1.0	-48.20	292.54	2.80	-45.40
O=C(CCCC1=NN=N[N-]1)N1CCC2COCCC21	REAL250004645951	1	37	-1.0	-48.19	292.60	2.81	-45.38
CCC1=CC=CC(OC)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004645952	0	39	-1.0	-49.87	327.67	4.40	-45.47
CCC1=CC=CC(OC)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004645952	1	39	-1.0	-49.87	327.73	4.41	-45.46
CC1CC2=CC=CC=C2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004645953	0	39	-1.0	-49.81	322.96	5.32	-44.49
CC1CC2=CC=CC=C2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004645953	1	39	-1.0	-49.79	323.02	5.33	-44.46
CCOC1=CC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004645954	0	36	-1.0	-49.27	309.26	3.77	-45.50
CCOC1=CC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004645954	1	36	-1.0	-49.29	309.31	3.78	-45.51
CC1=NOC(C2(NC(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL250004645955	0	34	-1.0	-53.36	301.13	0.34	-53.02
CC1=NOC(C2(NC(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL250004645955	1	34	-1.0	-53.39	301.19	0.36	-53.03
O=C(CCCC1=N[N-]N=N1)NCC1CC2C=CC1C2	REAL250004645956	0	37	-1.0	-47.32	297.54	4.01	-43.31
O=C(CCCC1=NN=N[N-]1)NCC1CC2C=CC1C2	REAL250004645956	1	37	-1.0	-47.33	297.59	4.03	-43.30
O=C(NCC1CC2C=CC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645957	0	37	-1.0	-34.87	308.61	3.83	-31.04
O=C(NCC1CC2C=CC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645957	1	37	-1.0	-34.88	308.66	3.84	-31.04
C=CCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004645958	0	38	-1.0	-48.03	314.57	5.47	-42.56
C=CCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004645958	1	38	-1.0	-48.01	314.63	5.49	-42.52
C=CCCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645959	0	38	-1.0	-35.98	322.26	5.87	-30.11
C=CCCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645959	1	38	-1.0	-35.98	322.33	5.90	-30.08
O=C(CCCC1=N[N-]N=N1)NC1(CCO)COC1	REAL250004645960	0	34	-1.0	-50.93	279.89	-1.46	-52.39
O=C(CCCC1=NN=N[N-]1)NC1(CCO)COC1	REAL250004645960	1	34	-1.0	-50.94	279.95	-1.45	-52.39
O=C(NC1(CCO)COC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645961	0	34	-1.0	-38.61	290.47	-1.65	-40.26
O=C(NC1(CCO)COC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645961	1	34	-1.0	-38.63	290.54	-1.63	-40.26
CC1=C(C)CC(C)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004645962	0	42	-1.0	-46.47	320.73	4.99	-41.48
CC1=C(C)CC(C)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004645962	1	42	-1.0	-46.50	320.79	5.00	-41.50
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC(F)=CC=C21	REAL250004645963	0	34	-1.0	-44.78	299.32	2.74	-42.04
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC(F)=CC=C21	REAL250004645963	1	34	-1.0	-44.74	299.38	2.76	-41.98
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(CO)C2	REAL250004645964	0	40	-1.0	-50.27	310.86	1.96	-48.31
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(CO)C2	REAL250004645964	1	40	-1.0	-50.27	310.91	1.97	-48.30
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CN=CC=C21	REAL250004645965	0	38	-1.0	-49.63	307.31	3.39	-46.24
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CN=CC=C21	REAL250004645965	1	38	-1.0	-49.67	307.37	3.40	-46.27
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)NC(=O)NC2=O	REAL250004645966	0	32	-1.0	-54.50	286.26	-2.95	-57.45
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)NC(=O)NC2=O	REAL250004645966	1	32	-1.0	-54.48	286.32	-2.93	-57.41
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(COC2)O1	REAL250004645967	0	38	-1.0	-49.67	315.05	0.29	-49.38
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(COC2)O1	REAL250004645967	1	38	-1.0	-49.65	315.11	0.30	-49.35
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1=CC=CO1	REAL250004645968	0	36	-1.0	-47.93	312.58	3.86	-44.07
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1=CC=CO1	REAL250004645968	1	36	-1.0	-47.93	312.64	3.87	-44.06
CC(CC1CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004645969	0	38	-1.0	-53.43	316.92	6.57	-46.86
CC(CC1CC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004645969	1	38	-1.0	-53.26	317.02	6.59	-46.67
CC(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645970	0	35	-1.0	-35.56	303.14	3.46	-32.10
CC(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645970	1	35	-1.0	-35.51	303.21	3.47	-32.04
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1(CO)C2	REAL250004645971	0	37	-1.0	-49.26	291.98	2.98	-46.28
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1(CO)C2	REAL250004645971	1	37	-1.0	-49.23	292.03	3.00	-46.23
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004645972	0	32	-1.0	-48.04	272.06	3.71	-44.33
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004645972	1	32	-1.0	-48.06	272.12	3.72	-44.34
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(F)(F)C1	REAL250004645973	0	32	-1.0	-35.54	279.63	4.11	-31.43
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(F)(F)C1	REAL250004645973	1	32	-1.0	-35.46	279.69	4.14	-31.32
COC1CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004645974	0	36	-1.0	-51.22	292.28	2.50	-48.72
COC1CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004645974	1	36	-1.0	-51.19	292.33	2.51	-48.68
COC1CCC1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004645975	0	36	-1.0	-37.79	299.82	2.93	-34.86
COC1CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004645975	1	36	-1.0	-37.76	299.88	2.94	-34.82
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC2CC1[C@H](CO)C2	REAL250004645976	0	40	-1.0	-47.68	313.82	1.38	-46.30
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC2CC1[C@H](CO)C2	REAL250004645976	1	40	-1.0	-47.73	313.88	1.40	-46.33
O=C(CCCC1=N[N-]N=N1)NCC1=CON=C1C1CC1	REAL250004645977	0	35	-1.0	-47.26	307.36	3.07	-44.19
O=C(CCCC1=NN=N[N-]1)NCC1=CON=C1C1CC1	REAL250004645977	1	35	-1.0	-47.29	307.41	3.09	-44.20
CC1(C)CC(C)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004645978	0	38	-1.0	-46.56	297.53	3.33	-43.23
CC1(C)CC(C)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004645978	1	38	-1.0	-46.60	297.59	3.34	-43.26
CC1(C)CC(C)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004645979	0	38	-1.0	-35.36	308.13	3.11	-32.25
CC1(C)CC(C)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004645979	1	38	-1.0	-35.36	308.19	3.12	-32.24
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCC1	REAL250004645980	0	39	-1.0	-50.17	306.21	5.42	-44.75
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCC1	REAL250004645980	1	39	-1.0	-50.20	306.27	5.44	-44.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C1CCCC1	REAL250004645981	0	39	-1.0	-38.08	315.83	5.19	-32.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C1CCCC1	REAL250004645981	1	39	-1.0	-38.06	315.90	5.20	-32.86
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H]2OCC[C@H]21	REAL250004645982	0	34	-1.0	-57.88	280.56	4.25	-53.63
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@H]2OCC[C@H]21	REAL250004645982	1	34	-1.0	-43.10	281.21	4.28	-38.82
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2OCC[C@H]21	REAL250004645983	0	31	-1.0	-40.10	268.25	1.55	-38.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2OCC[C@H]21	REAL250004645983	1	31	-1.0	-40.09	268.31	1.56	-38.53
O=C(CCCC1=N[N-]N=N1)N1CCCCCNC(=O)CC1	REAL250004645984	0	42	-1.0	-48.92	321.26	3.26	-45.66
O=C(CCCC1=NN=N[N-]1)N1CCCCCNC(=O)CC1	REAL250004645984	1	42	-1.0	-48.96	321.32	3.27	-45.69
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CS(=O)(=O)C2	REAL250004645985	0	36	-1.0	-55.74	313.74	-0.37	-56.11
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CS(=O)(=O)C2	REAL250004645985	1	36	-1.0	-55.71	313.80	-0.35	-56.06
NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC(CO)C1	REAL250004645986	0	37	-1.0	-59.58	310.83	-4.14	-63.72
NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC(CO)C1	REAL250004645986	1	37	-1.0	-59.61	310.89	-4.12	-63.73
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CC(C)(C)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004646024	1	45	-1.0	-44.01	336.09	4.88	-39.13
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2=CC=CC=C2)N=C1	REAL250004646261	1	34	-1.0	-48.94	303.94	3.79	-45.15
CN1C(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004646262	0	30	-1.0	-46.50	269.54	3.59	-42.91
CN1C(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL250004646262	1	30	-1.0	-46.53	269.64	3.61	-42.92
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COC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004646949	1	32	-1.0	-50.92	293.03	1.47	-49.45
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2O1	REAL250004646956	1	36	-1.0	-51.87	314.37	4.90	-46.97
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CC(C)C1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004646961	0	36	-1.0	-51.70	302.17	2.08	-49.62
CC(C)C1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004646961	1	36	-1.0	-51.69	302.23	2.10	-49.59
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COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004646979	1	31	-1.0	-45.99	277.86	2.00	-43.99
CCC(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004646980	0	39	-1.0	-47.83	321.73	5.20	-42.63
CCC(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004646980	1	39	-1.0	-47.82	321.80	5.20	-42.62
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CCOC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004647032	1	39	-1.0	-49.08	314.60	3.03	-46.05
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CCS(=O)(=O)NCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647034	0	31	-1.0	-57.67	285.83	-3.31	-60.98
CCS(=O)(=O)NCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647034	1	31	-1.0	-57.69	285.90	-3.30	-60.99
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COC(=O)CC(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647035	1	32	-1.0	-44.92	278.23	1.65	-43.27
CC(C)C1=NN=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004647036	0	35	-1.0	-47.30	315.12	-1.70	-49.00
CC(C)C1=NN=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004647036	1	35	-1.0	-47.30	315.19	-1.70	-49.00
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CC(OC1CCCCCC1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647038	0	43	-1.0	-49.44	330.67	4.36	-45.08
CC(OC1CCCCCC1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647038	1	43	-1.0	-49.41	330.74	4.36	-45.05
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CCC1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004647041	0	34	-1.0	-53.31	285.75	2.34	-50.97
CCC1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004647041	1	34	-1.0	-53.28	285.81	2.35	-50.93
O=C(CC1=CN=C2NC=CC=C12)NC1(C2=N[N-]N=N2)CC1	REAL250004647042	0	33	-1.0	-58.05	293.46	2.61	-55.44
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CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1F	REAL250004647043	0	30	-1.0	-56.02	267.89	3.22	-52.80
CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1F	REAL250004647043	1	30	-1.0	-55.98	267.98	3.21	-52.77
CC(C)(C)C1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647044	0	42	-1.0	-47.62	343.77	5.63	-41.99
CC(C)(C)C1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647044	1	42	-1.0	-47.61	343.84	5.64	-41.97
CC(C)OC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647045	0	36	-1.0	-44.81	307.16	1.74	-43.07
CC(C)OC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647045	1	36	-1.0	-44.79	307.09	1.73	-43.06
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CC1=NN(C)C(C)=C1OCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647046	1	37	-1.0	-50.93	325.39	2.19	-48.74
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CSCCC(O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647049	0	31	-1.0	-46.79	283.89	0.24	-46.55
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1CC(C)C	REAL250004647060	0	39	-1.0	-49.66	325.24	3.15	-46.51
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1CC(C)C	REAL250004647060	1	39	-1.0	-49.63	325.33	3.14	-46.49
CSC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004647061	0	31	-1.0	-45.25	288.03	3.68	-41.57
CSC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004647061	1	31	-1.0	-45.30	288.09	3.69	-41.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2N=CNC2=N1	REAL250004647062	0	29	-1.0	-52.25	265.88	1.45	-50.80
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2N=CN=C2N1	REAL250004647062	1	29	-1.0	-51.07	263.52	1.47	-49.60
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2N=CNC2=N1	REAL250004647062	1	29	-1.0	-52.28	265.79	1.45	-50.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2N=CN=C2N1	REAL250004647062	1	29	-1.0	-51.07	263.43	1.48	-49.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2N=S=NC2=C1	REAL250004647063	0	28	-1.0	-49.09	267.23	0.97	-48.12
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2N=S=NC2=C1	REAL250004647063	1	28	-1.0	-49.11	267.30	0.97	-48.14
CN(C)CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004647064	0	34	-1.0	-47.63	299.55	-0.56	-48.19
CN(C)CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004647064	1	34	-1.0	-47.61	299.62	-0.54	-48.15
O=C(CSCC(F)(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004647065	0	27	-1.0	-50.55	271.31	2.07	-48.48
O=C(CSCC(F)(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004647065	1	27	-1.0	-50.57	271.39	2.07	-48.50
CCCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004647066	0	38	-1.0	-46.10	298.34	3.92	-42.18
CCCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004647066	1	38	-1.0	-46.07	298.41	3.92	-42.15
CC(C)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004647067	0	32	-1.0	-47.49	285.59	1.99	-45.50
CC(C)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004647067	1	32	-1.0	-47.47	285.66	2.01	-45.46
CN1CCOCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647069	0	33	-1.0	-48.98	274.16	-2.20	-51.18
CN1CCOCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647069	1	33	-1.0	-49.00	274.28	-2.21	-51.21
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=C1F	REAL250004647070	0	33	-1.0	-45.70	290.10	3.97	-41.73
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=C1F	REAL250004647070	1	33	-1.0	-45.72	290.16	3.97	-41.75
CC(C)N1C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647071	0	34	-1.0	-54.10	286.03	3.74	-50.36
CC(C)N1C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647071	1	34	-1.0	-54.15	286.12	3.74	-50.41
CC1=C(C)NC(=O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647072	0	32	-1.0	-65.98	283.04	0.17	-65.81
CC1=C(C)NC(=O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647072	1	32	-1.0	-66.00	283.13	0.17	-65.83
O=C(CC(O)C1=CC=CC(F)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647073	0	34	-1.0	-49.34	302.47	1.88	-47.46
O=C(CC(O)C1=CC=CC(F)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647073	1	34	-1.0	-49.36	302.54	1.89	-47.47
COC(=O)C1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647074	0	31	-1.0	-45.37	290.56	-0.46	-45.83
COC(=O)C1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647074	1	31	-1.0	-45.38	290.49	-0.48	-45.86
CC1(CCC(=O)NC2(C3=N[N-]N=N3)CC2)CCC(=O)N1	REAL250004647075	0	37	-1.0	-49.73	308.09	0.34	-49.39
CC1(CCC(=O)NC2(C3=NN=N[N-]3)CC2)CCC(=O)N1	REAL250004647075	1	37	-1.0	-49.73	308.17	0.34	-49.39
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CN2C(=O)NN=C12	REAL250004647076	0	30	-1.0	-50.86	273.80	1.19	-49.67
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CN2C(=O)NN=C12	REAL250004647076	1	30	-1.0	-50.82	273.89	1.18	-49.64
CC1=CC=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647077	0	30	-1.0	-47.94	274.28	3.69	-44.25
CC1=CC=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647077	1	30	-1.0	-47.93	274.36	3.69	-44.24
CC1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004647078	0	35	-1.0	-50.00	290.89	2.50	-47.50
CC1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004647078	1	35	-1.0	-50.02	290.96	2.50	-47.52
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2C=CC=CN12	REAL250004647079	0	30	-1.0	-55.76	261.55	3.33	-52.43
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2C=CC=CN12	REAL250004647079	1	30	-1.0	-55.76	261.48	3.31	-52.45
CC(C)[C@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647080	0	42	-1.0	-49.03	325.07	4.50	-44.53
CC(C)[C@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647080	1	42	-1.0	-49.07	325.16	4.49	-44.58
CCN1C=C(C(=O)C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647081	0	32	-1.0	-47.02	290.02	1.12	-45.90
CCN1C=C(C(=O)C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647081	1	32	-1.0	-46.99	290.09	1.12	-45.87
CC1CC(=O)CCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647082	0	35	-1.0	-54.20	290.34	2.20	-52.00
CC1CC(=O)CCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647082	1	35	-1.0	-54.21	290.41	2.19	-52.02
CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004647083	0	30	-1.0	-52.09	274.29	3.60	-48.49
CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004647083	1	30	-1.0	-52.08	274.38	3.59	-48.49
CC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004647084	0	39	-1.0	-48.19	295.05	3.68	-44.51
CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004647084	1	39	-1.0	-48.13	295.12	3.71	-44.42
CC1(C)OCC(C)(C(=O)NC2(C3=N[N-]N=N3)CC2)CO1	REAL250004647085	0	38	-1.0	-55.05	303.44	1.63	-53.42
CC1(C)OCC(C)(C(=O)NC2(C3=NN=N[N-]3)CC2)CO1	REAL250004647085	1	38	-1.0	-55.02	303.51	1.63	-53.39
CCC(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647086	0	42	-1.0	-47.63	333.46	5.42	-42.21
CCC(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647086	1	42	-1.0	-47.63	333.53	5.41	-42.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=CC=CC=C2S1	REAL250004647087	0	29	-1.0	-55.10	277.36	1.96	-53.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=CC=CC=C2S1	REAL250004647087	1	29	-1.0	-55.07	277.30	1.93	-53.14
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL250004647088	0	37	-1.0	-46.57	293.77	1.67	-44.90
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL250004647088	1	37	-1.0	-46.65	293.83	1.67	-44.98
CC1=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL250004647089	0	33	-1.0	-56.14	292.04	2.90	-53.24
CC1=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL250004647089	1	33	-1.0	-56.11	291.95	2.91	-53.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(CCO)C(=O)CC1	REAL250004647090	0	35	-1.0	-45.72	307.80	-2.61	-48.33
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(CCO)C(=O)CC1	REAL250004647090	1	35	-1.0	-45.75	307.87	-2.61	-48.36
COC(=O)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647091	0	39	-1.0	-51.40	315.38	3.37	-48.03
COC(=O)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647091	1	39	-1.0	-51.40	315.42	3.39	-48.01
O=C(CN1CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004647092	0	33	-1.0	-49.31	273.75	-1.84	-51.15
O=C(CN1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004647092	1	33	-1.0	-49.31	273.82	-1.81	-51.12
CC(CN1CCOCC1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647093	0	39	-1.0	-46.56	314.06	-0.25	-46.81
CC(CN1CCOCC1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647093	1	39	-1.0	-46.60	314.13	-0.24	-46.84
COC(=O)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647094	0	32	-1.0	-49.91	293.13	1.50	-48.41
COC(=O)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647094	1	32	-1.0	-49.89	293.06	1.50	-48.39
CN(C)S(=O)(=O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647095	0	34	-1.0	-50.35	305.84	-1.59	-51.94
CN(C)S(=O)(=O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647095	1	34	-1.0	-50.32	305.91	-1.59	-51.91
CN1C=C([N+](=O)[O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647096	0	29	-1.0	-61.27	272.52	1.89	-59.38
CN1C=C([N+](=O)[O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647096	1	29	-1.0	-61.28	272.43	1.91	-59.37
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(O)=C1	REAL250004647097	0	31	-1.0	-53.33	273.26	1.70	-51.63
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(O)=C1	REAL250004647097	1	31	-1.0	-53.33	273.35	1.69	-51.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(O)C=C1O	REAL250004647098	0	29	-1.0	-53.82	262.83	-1.78	-55.60
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(O)C=C1O	REAL250004647098	1	29	-1.0	-53.87	262.92	-1.79	-55.66
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC=C1O	REAL250004647099	0	28	-1.0	-47.72	258.28	1.10	-46.62
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CC=C1O	REAL250004647099	1	28	-1.0	-47.72	258.37	1.10	-46.62
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(C=C1O)OCO2	REAL250004647101	0	31	-1.0	-49.71	277.08	-0.34	-50.05
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(C=C1O)OCO2	REAL250004647101	1	31	-1.0	-49.73	277.16	-0.34	-50.07
CCC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1O	REAL250004647102	0	34	-1.0	-53.77	293.56	2.50	-51.27
CCC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1O	REAL250004647102	1	34	-1.0	-53.75	293.65	2.49	-51.26
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(O)=C1O	REAL250004647103	0	32	-1.0	-53.91	282.62	-0.55	-54.46
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(O)=C1O	REAL250004647103	1	32	-1.0	-53.92	282.71	-0.56	-54.48
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(O)=C1C	REAL250004647104	0	34	-1.0	-51.25	288.88	2.29	-48.96
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(O)=C1C	REAL250004647104	1	34	-1.0	-51.25	288.97	2.28	-48.97
CC(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(O)=C1	REAL250004647105	0	37	-1.0	-52.58	311.99	2.95	-49.63
CC(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(O)=C1	REAL250004647105	1	37	-1.0	-52.57	312.08	2.94	-49.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004647106	0	33	-1.0	-53.38	295.96	2.50	-50.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004647106	1	33	-1.0	-53.31	295.88	2.48	-50.83
C=CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004647107	0	37	-1.0	-47.56	317.23	5.13	-42.43
C=CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004647107	1	37	-1.0	-47.58	317.31	5.13	-42.45
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(O)C=CC=C1Cl	REAL250004647108	0	28	-1.0	-52.56	273.18	0.11	-52.45
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(O)C=CC=C1Cl	REAL250004647108	1	28	-1.0	-52.57	273.24	0.12	-52.45
CCC1=CC=C(O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647109	0	34	-1.0	-52.55	294.75	2.48	-50.07
CCC1=CC=C(O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647109	1	34	-1.0	-52.56	294.84	2.47	-50.09
CC(C)C1=CC=C(O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647110	0	37	-1.0	-52.37	312.01	2.95	-49.42
CC(C)C1=CC=C(O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647110	1	37	-1.0	-52.39	312.10	2.94	-49.45
COC1=CC(C)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1O	REAL250004647111	0	35	-1.0	-53.42	302.46	1.46	-51.96
COC1=CC(C)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1O	REAL250004647111	1	35	-1.0	-53.41	302.55	1.45	-51.96
N#CC1=CC=C(NCC(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004647112	0	32	-1.0	-49.10	296.03	1.10	-48.00
N#CC1=CC=C(NCC(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004647112	1	32	-1.0	-49.08	295.96	1.10	-47.98
CN1C(=O)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647113	0	30	-1.0	-52.88	261.66	1.14	-51.74
CN1C(=O)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647113	1	30	-1.0	-52.66	261.90	1.15	-51.51
CN(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1CCSC1	REAL250004647114	1	36	-1.0	-46.95	298.02	0.90	-46.05
CN(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCSC1	REAL250004647114	1	36	-1.0	-47.00	298.10	0.90	-46.10
NS(=O)(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CO1	REAL250004647115	0	29	-1.0	-52.99	282.07	-4.38	-57.37
NS(=O)(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CO1	REAL250004647115	1	29	-1.0	-53.00	282.14	-4.37	-57.37
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004647116	0	33	-1.0	-58.31	299.15	4.20	-54.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004647116	1	33	-1.0	-58.31	299.08	4.17	-54.14
CC1=CN2C(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL250004647117	0	33	-1.0	-54.78	282.98	3.97	-50.81
CC1=CN2C(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL250004647117	1	33	-1.0	-54.84	282.92	3.95	-50.89
NC(=O)NC1(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647118	0	30	-1.0	-65.25	267.83	-3.48	-68.73
NC(=O)NC1(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647118	1	30	-1.0	-65.29	267.90	-3.47	-68.76
CN(C)C1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647119	0	33	-1.0	-51.36	288.46	0.52	-50.84
CN(C)C1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647119	1	33	-1.0	-51.35	288.39	0.50	-50.85
CN1C=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004647120	0	30	-1.0	-62.06	276.17	1.77	-60.29
CN1C=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004647120	1	30	-1.0	-62.08	276.24	1.77	-60.31
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CC1=CC=CC=C1C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647122	1	33	-1.0	-44.73	290.13	3.79	-40.94
CCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004647123	0	32	-1.0	-48.38	287.25	0.44	-47.94
CCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004647123	1	32	-1.0	-48.39	287.16	0.45	-47.94
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CC1=CC(F)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647125	0	30	-1.0	-48.08	263.78	3.23	-44.85
CC1=CC(F)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647125	1	30	-1.0	-48.12	263.86	3.23	-44.89
CC(C)OC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647126	0	36	-1.0	-48.73	314.12	1.21	-47.52
CC(C)OC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647126	1	36	-1.0	-48.72	314.05	1.19	-47.53
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O=C(NC1(C2=NN=N[N-]2)CC1)C1CCN2C=NC=C2C1	REAL250004647128	1	34	-1.0	-46.98	287.48	3.51	-43.47
CCN(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1CC1	REAL250004647129	1	35	-1.0	-47.60	286.23	0.82	-46.78
CCN(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CC1	REAL250004647129	1	35	-1.0	-47.60	286.31	0.81	-46.79
CC(C)C1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004647130	0	32	-1.0	-48.59	293.65	1.74	-46.85
CC(C)C1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004647130	1	32	-1.0	-48.62	293.74	1.74	-46.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NC=CN2C=C1	REAL250004647131	0	30	-1.0	-54.28	269.73	3.20	-51.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NC=CN2C=C1	REAL250004647131	1	30	-1.0	-54.25	269.80	3.19	-51.06
CC(=O)C(C)(C)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647132	0	37	-1.0	-56.63	303.58	2.50	-54.13
CC(=O)C(C)(C)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647132	1	37	-1.0	-56.66	303.66	2.50	-54.16
C=CC(=O)NCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647133	0	31	-1.0	-56.94	280.82	-0.84	-57.78
C=CC(=O)NCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647133	1	31	-1.0	-56.94	280.89	-0.83	-57.77
CC1(OCC(=O)NC2(C3=N[N-]N=N3)CC2)CCC1	REAL250004647134	0	34	-1.0	-49.55	285.25	2.47	-47.08
CC1(OCC(=O)NC2(C3=NN=N[N-]3)CC2)CCC1	REAL250004647134	1	34	-1.0	-49.56	285.32	2.48	-47.08
CCCCN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004647135	0	39	-1.0	-49.01	329.25	3.18	-45.83
CCCCN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004647135	1	39	-1.0	-49.03	329.34	3.17	-45.86
CC1=NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL250004647136	0	35	-1.0	-49.27	305.87	3.62	-45.65
CC1=NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL250004647136	1	35	-1.0	-49.28	305.81	3.62	-45.66
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CC1=C(CCCC(=O)NC2(C3=NN=N[N-]3)CC2)SC=C1	REAL250004647138	1	36	-1.0	-47.43	319.37	4.55	-42.88
C=CC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647139	0	38	-1.0	-53.67	314.01	2.16	-51.51
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NC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004647140	0	28	-1.0	-47.25	265.89	-2.64	-49.89
NC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004647140	1	28	-1.0	-47.27	265.98	-2.64	-49.91
CC1=C2NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=CC=C1	REAL250004647141	0	34	-1.0	-49.63	298.09	3.08	-46.55
CC1=C2NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=CC=C1	REAL250004647141	1	34	-1.0	-49.59	298.00	3.09	-46.50
CCC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004647142	0	37	-1.0	-56.12	311.73	1.58	-54.54
CCC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647142	1	37	-1.0	-56.10	311.81	1.57	-54.53
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C=NC2=CC=CC=C21	REAL250004647143	0	36	-1.0	-51.26	311.91	4.44	-46.82
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C=NC2=CC=CC=C21	REAL250004647143	1	36	-1.0	-51.28	311.98	4.45	-46.83
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CC(=O)N1	REAL250004647144	0	30	-1.0	-47.93	263.80	0.03	-47.90
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CC(=O)N1	REAL250004647144	1	30	-1.0	-47.95	263.89	0.03	-47.92
CC1=NC(Cl)=CC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647145	0	32	-1.0	-47.70	295.83	2.40	-45.30
CC1=NC(Cl)=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647145	1	32	-1.0	-47.75	295.91	2.41	-45.34
CC(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647146	0	35	-1.0	-45.69	297.19	2.69	-43.00
CC(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647146	1	35	-1.0	-45.70	297.27	2.70	-43.00
CC1=C(C2CC2C(=O)NC2(C3=N[N-]N=N3)CC2)SC=C1	REAL250004647147	0	34	-1.0	-49.05	298.28	4.38	-44.67
CC1=C(C2CC2C(=O)NC2(C3=NN=N[N-]3)CC2)SC=C1	REAL250004647147	1	34	-1.0	-49.05	298.35	4.38	-44.67
O=C(CSCC1=CSC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004647148	0	30	-1.0	-52.01	296.64	1.65	-50.36
O=C(CSCC1=CSC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004647148	1	30	-1.0	-52.03	296.70	1.65	-50.38
CC1=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004647149	0	39	-1.0	-46.40	331.79	5.44	-40.96
CC1=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004647149	1	39	-1.0	-46.40	331.86	5.44	-40.96
O=C(CC1=CC=C(C(F)F)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647150	0	33	-1.0	-48.91	299.75	4.18	-44.73
O=C(CC1=CC=C(C(F)F)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647150	1	33	-1.0	-48.96	299.82	4.18	-44.78
CC1(C)CCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647151	0	42	-1.0	-46.61	321.39	4.47	-42.14
CC1(C)CCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647151	1	42	-1.0	-46.56	321.46	4.48	-42.08
CC(=O)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647152	0	32	-1.0	-57.53	283.35	3.04	-54.49
CC(=O)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647152	1	32	-1.0	-57.54	283.41	3.05	-54.49
O=C(CC1=CSC2=NC=CN12)NC1(C2=NN=N[N-]2)CC1	REAL250004647153	0	30	-1.0	-49.96	284.56	2.91	-47.05
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CN1C(=O)NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C21	REAL250004647154	0	34	-1.0	-50.74	301.09	1.51	-49.23
CN1C(=O)NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C21	REAL250004647154	1	34	-1.0	-50.77	301.16	1.50	-49.27
CC1=NN=C2CCC(C(=O)NC3(C4=N[N-]N=N4)CC3)CN12	REAL250004647155	0	36	-1.0	-48.70	302.63	3.29	-45.41
CC1=NN=C2CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)CN12	REAL250004647155	1	36	-1.0	-48.75	302.69	3.29	-45.46
CC1=CC(Cl)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647156	0	30	-1.0	-47.96	274.11	3.68	-44.28
CC1=CC(Cl)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647156	1	30	-1.0	-47.98	274.19	3.68	-44.30
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O=C(CSCC1=CSC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004647157	1	30	-1.0	-52.03	296.70	1.65	-50.38
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O=C(CC1COC(=O)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647158	1	30	-1.0	-50.94	264.66	1.38	-49.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(C=C1O)CCCC2	REAL250004647159	0	38	-1.0	-50.47	314.60	3.53	-46.94
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(C=C1O)CCCC2	REAL250004647159	1	38	-1.0	-50.51	314.69	3.53	-46.98
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)C1(O)CCC1	REAL250004647160	0	31	-1.0	-47.23	273.99	-1.07	-48.30
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)C1(O)CCC1	REAL250004647160	1	31	-1.0	-47.22	273.89	-1.07	-48.29
CC(CCC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004647161	0	39	-1.0	-49.15	325.06	5.23	-43.92
CC(CCC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004647161	1	39	-1.0	-49.19	325.13	5.24	-43.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1OC(=O)N2	REAL250004647162	0	30	-1.0	-64.28	274.40	0.48	-63.80
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1OC(=O)N2	REAL250004647162	1	30	-1.0	-64.24	274.31	0.48	-63.76
CC1=CC=C(F)C(OCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647163	0	34	-1.0	-55.22	304.32	3.93	-51.29
CC1=CC=C(F)C(OCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647163	1	34	-1.0	-55.27	304.39	3.93	-51.34
CN(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004647164	0	35	-1.0	-56.26	298.77	2.99	-53.27
CN(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004647164	1	35	-1.0	-56.26	298.86	2.99	-53.27
CCOC(=O)NCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647165	0	37	-1.0	-49.74	322.86	-0.24	-49.98
CCOC(=O)NCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647165	1	37	-1.0	-49.76	322.94	-0.24	-50.00
CC1(C)CCCCC1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647166	0	42	-1.0	-48.61	314.18	4.08	-44.53
CC1(C)CCCCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647166	1	42	-1.0	-48.62	314.28	4.07	-44.55
O=C(CC1CSCCS1)NC1(C2=N[N-]N=N2)CC1	REAL250004647167	0	32	-1.0	-48.87	289.98	3.04	-45.83
O=C(CC1CSCCS1)NC1(C2=NN=N[N-]2)CC1	REAL250004647167	1	32	-1.0	-48.91	290.07	3.03	-45.88
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(C=CO2)N1	REAL250004647168	0	28	-1.0	-51.48	257.32	0.50	-50.98
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(C=CO2)N1	REAL250004647168	1	28	-1.0	-51.48	257.23	0.51	-50.97
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CN=CN2C=C1	REAL250004647169	0	30	-1.0	-50.05	269.31	4.05	-46.00
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CN=CN2C=C1	REAL250004647169	1	30	-1.0	-50.06	269.38	4.07	-45.99
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1CCSCC1	REAL250004647170	0	36	-1.0	-48.37	301.00	0.89	-47.48
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1CCSCC1	REAL250004647170	1	36	-1.0	-48.39	301.08	0.89	-47.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CCCCN2N=C1	REAL250004647171	0	34	-1.0	-50.86	287.11	1.90	-48.96
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CCCCN2N=C1	REAL250004647171	1	34	-1.0	-50.85	287.20	1.89	-48.96
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CC(CCCC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647203	1	42	-1.0	-47.01	348.44	6.21	-40.80
COCCCOCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647204	0	34	-1.0	-52.75	297.62	0.51	-52.24
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CCCCCC(CC)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647205	1	41	-1.0	-47.56	326.06	4.40	-43.16
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CC1=CC=CC(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647221	0	36	-1.0	-48.49	301.97	4.32	-44.17
CC1=CC=CC(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647221	1	36	-1.0	-48.52	302.05	4.34	-44.18
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CC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004647224	1	32	-1.0	-52.92	288.87	2.98	-49.94
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CCCC(CCC)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647227	1	41	-1.0	-46.80	325.21	4.47	-42.33
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CCCC(=CC(=O)NC1(C2=N[N-]N=N2)CC1)CCC	REAL250004647229	0	39	-1.0	-45.04	320.07	4.68	-40.36
CCCC(=CC(=O)NC1(C2=NN=N[N-]2)CC1)CCC	REAL250004647229	1	39	-1.0	-45.04	320.14	4.68	-40.36
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CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1O	REAL250004647232	0	31	-1.0	-48.32	274.15	0.55	-47.77
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1O	REAL250004647232	1	31	-1.0	-48.36	274.22	0.54	-47.82
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CC1=CC(O)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647234	0	31	-1.0	-48.10	274.52	0.44	-47.66
CC1=CC(O)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647234	1	31	-1.0	-48.09	274.59	0.45	-47.64
CN1C=NC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN=C21	REAL250004647235	0	32	-1.0	-52.88	285.55	3.15	-49.73
CN1C=NC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN=C21	REAL250004647235	1	32	-1.0	-52.89	285.48	3.13	-49.76
CSC(C)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647236	0	33	-1.0	-48.64	290.34	2.85	-45.79
CSC(C)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647236	1	33	-1.0	-48.65	290.42	2.87	-45.78
COC1=C(C)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004647237	0	37	-1.0	-47.22	314.25	3.47	-43.75
COC1=C(C)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004647237	1	37	-1.0	-47.24	314.30	3.46	-43.78
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CC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004647242	1	31	-1.0	-47.76	269.66	1.13	-46.63
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CCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL250004647243	1	33	-1.0	-52.49	290.01	0.86	-51.63
CCC1=NN(C)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647244	0	33	-1.0	-53.23	287.67	1.59	-51.64
CCC1=NN(C)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647244	1	33	-1.0	-53.18	287.76	1.58	-51.60
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1C(C)C	REAL250004647246	0	36	-1.0	-49.82	306.03	2.31	-47.51
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1C(C)C	REAL250004647246	1	36	-1.0	-49.86	306.12	2.30	-47.56
CC1=CC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004647247	0	37	-1.0	-48.40	320.60	5.13	-43.27
CC1=CC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004647247	1	37	-1.0	-48.43	320.68	5.13	-43.30
COC(=O)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647248	0	29	-1.0	-45.12	278.54	0.51	-44.61
COC(=O)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647248	1	29	-1.0	-45.14	278.47	0.49	-44.65
COCC(=O)N(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647249	0	34	-1.0	-52.99	298.76	0.55	-52.44
COCC(=O)N(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647249	1	34	-1.0	-53.03	298.83	0.56	-52.47
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL250004647250	0	31	-1.0	-45.45	287.59	2.48	-42.97
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL250004647250	1	31	-1.0	-45.46	287.65	2.49	-42.97
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N#CC1=CC=C(C2CC2C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647252	0	35	-1.0	-47.64	308.30	4.98	-42.66
N#CC1=CC=C(C2CC2C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647252	1	35	-1.0	-47.63	308.37	4.99	-42.64
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)N=N1	REAL250004647253	0	31	-1.0	-49.85	269.55	0.92	-48.93
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)N=N1	REAL250004647253	1	31	-1.0	-49.85	269.63	0.92	-48.93
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COC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1F	REAL250004647258	1	31	-1.0	-59.31	276.95	1.87	-57.44
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL250004647259	0	36	-1.0	-51.73	317.78	4.48	-47.25
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=CC=CC=C2O1	REAL250004647259	1	36	-1.0	-51.71	317.71	4.47	-47.24
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CC1=CN=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004647261	0	29	-1.0	-51.18	274.28	1.21	-49.97
CC1=CN=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004647261	1	29	-1.0	-51.18	274.34	1.21	-49.97
CC1(C)CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004647262	0	39	-1.0	-46.93	302.94	3.77	-43.16
CC1(C)CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647262	1	39	-1.0	-46.98	303.01	3.77	-43.21
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C(=O)NN=C2C=C1	REAL250004647263	1	30	-1.0	-50.98	275.20	1.02	-49.96
CC(=O)CCCCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647264	0	40	-1.0	-50.76	338.56	4.12	-46.64
CC(=O)CCCCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647264	1	40	-1.0	-50.80	338.64	4.12	-46.68
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004647265	0	34	-1.0	-48.19	299.07	3.46	-44.73
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004647265	1	34	-1.0	-48.21	299.13	3.47	-44.74
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(=O)N1	REAL250004647266	0	30	-1.0	-53.85	268.53	0.12	-53.73
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL250004647266	1	30	-1.0	-53.88	268.60	0.13	-53.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=C(Cl)C=C1F	REAL250004647267	0	27	-1.0	-47.57	270.15	3.15	-44.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=C(Cl)C=C1F	REAL250004647267	1	27	-1.0	-47.58	270.24	3.15	-44.43
CN1N=CC([N+](=O)[O-])=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647268	0	29	-1.0	-46.00	276.92	0.76	-45.24
CN1N=CC([N+](=O)[O-])=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647268	1	29	-1.0	-46.01	276.85	0.78	-45.23
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(N(C)C)=N1	REAL250004647269	0	34	-1.0	-50.68	304.55	2.05	-48.63
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(N(C)C)=N1	REAL250004647269	1	34	-1.0	-50.69	304.64	2.04	-48.65
CC1=C(C#N)C(CC(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004647270	0	30	-1.0	-52.07	285.87	1.92	-50.15
CC1=C(C#N)C(CC(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004647270	1	30	-1.0	-52.12	285.94	1.92	-50.20
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1CCC2=CC=CC=C21	REAL250004647271	0	39	-1.0	-48.99	314.46	2.85	-46.14
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL250004647271	1	39	-1.0	-49.02	314.53	2.85	-46.17
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NNC=C2C1	REAL250004647272	0	34	-1.0	-47.99	287.19	1.38	-46.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NNC=C2C1	REAL250004647272	1	34	-1.0	-48.03	287.25	1.39	-46.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CC2=CC=CN=C21	REAL250004647273	0	32	-1.0	-56.70	288.60	3.39	-53.31
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC2=CC=CN=C21	REAL250004647273	1	32	-1.0	-56.71	288.52	3.40	-53.31
O=C(CCC1=CN=CC(F)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647274	0	32	-1.0	-45.30	290.30	2.41	-42.89
O=C(CCC1=CN=CC(F)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647274	1	32	-1.0	-45.28	290.23	2.40	-42.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2CCCCC2C1	REAL250004647275	0	43	-1.0	-48.90	322.83	5.09	-43.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2CCCCC2C1	REAL250004647275	1	43	-1.0	-48.86	322.89	5.10	-43.76
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(F)=C1	REAL250004647276	0	27	-1.0	-43.47	265.70	3.20	-40.27
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(F)=C1	REAL250004647276	1	27	-1.0	-43.49	265.77	3.19	-40.30
COC(=O)N[C@@H](C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647277	0	31	-1.0	-45.92	276.79	-1.80	-47.72
COC(=O)N[C@@H](C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647277	1	31	-1.0	-45.93	276.87	-1.80	-47.73
N#CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647278	0	31	-1.0	-55.73	285.37	3.81	-51.92
N#CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647278	1	31	-1.0	-55.71	285.43	3.80	-51.91
CC(C)(C)SCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647279	0	39	-1.0	-49.71	330.43	4.31	-45.40
CC(C)(C)SCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647279	1	39	-1.0	-49.74	330.51	4.31	-45.43
CC1=NOC(C)=C1C(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647280	0	38	-1.0	-45.10	313.59	3.15	-41.95
CC1=NOC(C)=C1C(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647280	1	38	-1.0	-45.14	313.66	3.14	-42.00
CC(C)(CCC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004647281	0	42	-1.0	-49.32	336.81	5.44	-43.88
CC(C)(CCC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004647281	1	42	-1.0	-49.34	336.89	5.44	-43.90
CC1=NNC(C)=C1C(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647282	0	39	-1.0	-47.11	316.42	1.89	-45.22
CC1=NNC(C)=C1C(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647282	1	39	-1.0	-47.11	316.35	1.89	-45.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(N2C=CN=N2)=C1	REAL250004647283	0	33	-1.0	-62.45	295.58	2.53	-59.92
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(N2C=CN=N2)=C1	REAL250004647283	1	33	-1.0	-62.44	295.51	2.52	-59.92
C=C(C)C(CC(=O)NC1(C2=N[N-]N=N2)CC1)OCC	REAL250004647284	0	37	-1.0	-47.26	314.96	3.02	-44.24
C=C(C)C(CC(=O)NC1(C2=NN=N[N-]2)CC1)OCC	REAL250004647284	1	37	-1.0	-47.26	315.03	3.02	-44.24
CC(O)(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1CC1	REAL250004647285	0	34	-1.0	-44.99	277.87	0.94	-44.05
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COC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCC1	REAL250004647377	0	34	-1.0	-51.64	280.92	1.76	-49.88
COC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCC1	REAL250004647377	1	34	-1.0	-51.61	281.00	1.76	-49.85
CC1OCCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647378	0	34	-1.0	-44.62	276.90	1.21	-43.41
CC1OCCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647378	1	34	-1.0	-44.66	276.97	1.21	-43.45
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)CCCO1	REAL250004647379	0	35	-1.0	-44.68	289.90	2.60	-42.08
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)CCCO1	REAL250004647379	1	35	-1.0	-44.67	289.97	2.60	-42.07
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CNN=C1[N+](=O)[O-]	REAL250004647380	0	26	-1.0	-61.66	248.71	1.53	-60.13
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CCN1C=C([N+](=O)[O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647382	0	32	-1.0	-61.22	293.44	2.76	-58.46
CCN1C=C([N+](=O)[O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647382	1	32	-1.0	-61.23	293.37	2.73	-58.50
CC1=CSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004647383	0	27	-1.0	-50.08	268.74	2.63	-47.45
CC1=CSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004647383	1	27	-1.0	-50.13	268.83	2.63	-47.50
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O=C(CCC1=CC=NC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004647390	1	31	-1.0	-48.07	278.20	2.14	-45.93
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C(Cl)S1	REAL250004647391	0	26	-1.0	-45.92	264.47	0.79	-45.13
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C(Cl)S1	REAL250004647391	1	26	-1.0	-45.91	264.37	0.79	-45.12
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CC1=CN2C=CN=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C2=N1	REAL250004647393	0	32	-1.0	-62.64	288.85	2.10	-60.54
CC1=CN2C=CN=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C2=N1	REAL250004647393	1	32	-1.0	-62.61	288.76	2.10	-60.51
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(=O)OC	REAL250004647394	0	32	-1.0	-52.21	274.70	2.68	-49.53
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)OC	REAL250004647394	1	32	-1.0	-52.23	274.77	2.69	-49.54
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CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(O)=C1	REAL250004647395	1	34	-1.0	-52.81	294.83	2.46	-50.35
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COC1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647398	0	37	-1.0	-44.45	299.68	1.88	-42.57
COC1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647398	1	37	-1.0	-44.49	299.74	1.90	-42.59
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CCN1C=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647401	0	33	-1.0	-52.20	291.56	1.98	-50.22
CCN1C=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647401	1	33	-1.0	-52.19	291.49	1.97	-50.22
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CC(C)N1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647403	0	33	-1.0	-47.96	288.24	1.78	-46.18
CC(C)N1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647403	1	33	-1.0	-47.96	288.18	1.77	-46.19
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CC1=CC=C2C(C(=O)NC3(C4=NN=N[N-]4)CC3)=CSC2=C1	REAL250004647507	0	33	-1.0	-52.60	298.89	4.49	-48.11
CC1=CC=C2C(C(=O)NC3(C4=N[N-]N=N4)CC3)=CSC2=C1	REAL250004647507	1	33	-1.0	-52.53	298.80	4.49	-48.04
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CC(C)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647510	0	37	-1.0	-46.97	312.31	2.00	-44.97
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CC1C(C(=O)NC2(C3=NN=N[N-]3)CC2)C1C1=CC=CC=C1	REAL250004647536	1	37	-1.0	-46.31	313.00	5.20	-41.11
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CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=N1	REAL250004647541	0	32	-1.0	-47.67	278.56	1.94	-45.73
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=N1	REAL250004647541	1	32	-1.0	-47.65	278.63	1.94	-45.71
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CCC1=CSC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647546	0	32	-1.0	-51.48	295.31	1.78	-49.70
CCC1=CSC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647546	1	32	-1.0	-51.50	295.38	1.79	-49.71
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CN1N=CC2=C1CC(C(=O)NC1(C3=N[N-]N=N3)CC1)CC2	REAL250004647549	0	37	-1.0	-47.33	308.48	2.68	-44.65
CN1N=CC2=C1CC(C(=O)NC1(C3=NN=N[N-]3)CC1)CC2	REAL250004647549	1	37	-1.0	-47.35	308.55	2.68	-44.67
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CC1=NC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL250004647552	0	32	-1.0	-52.78	286.70	0.30	-52.48
CC1=NC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL250004647552	1	32	-1.0	-52.78	286.77	0.29	-52.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=CC=CC=C2N=N1	REAL250004647553	0	30	-1.0	-57.33	276.98	0.80	-56.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=CC=CC=C2N=N1	REAL250004647553	1	30	-1.0	-57.33	276.91	0.78	-56.55
CC1=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C2O1	REAL250004647554	0	32	-1.0	-63.13	285.50	0.36	-62.77
CC1=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C2O1	REAL250004647554	1	32	-1.0	-63.14	285.42	0.37	-62.77
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1CO	REAL250004647555	0	34	-1.0	-53.08	291.03	0.69	-52.39
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1CO	REAL250004647555	1	34	-1.0	-53.11	291.10	0.71	-52.40
CN1C=NC2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C21	REAL250004647556	0	33	-1.0	-49.76	283.59	3.68	-46.08
CN1C=NC2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C21	REAL250004647556	1	33	-1.0	-49.76	283.52	3.69	-46.07
COC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004647557	0	29	-1.0	-45.82	278.81	0.56	-45.26
COC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004647557	1	29	-1.0	-45.79	278.72	0.57	-45.22
CC(C)N1C=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647558	0	33	-1.0	-52.40	289.68	3.03	-49.37
CC(C)N1C=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647558	1	33	-1.0	-52.37	289.61	3.00	-49.37
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)S(C)(=O)=O	REAL250004647559	0	35	-1.0	-51.68	301.00	-0.99	-52.67
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)S(C)(=O)=O	REAL250004647559	1	35	-1.0	-51.65	301.06	-0.98	-52.63
CC(=O)CSCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647560	0	29	-1.0	-57.70	275.43	1.56	-56.14
CC(=O)CSCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647560	1	29	-1.0	-57.76	275.50	1.56	-56.20
COC1=CC=CN=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647561	0	33	-1.0	-50.69	290.50	0.83	-49.86
COC1=CC=CN=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647561	1	33	-1.0	-50.70	290.57	0.84	-49.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Br)OC=C1	REAL250004647562	0	24	-1.0	-49.48	245.45	1.18	-48.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Br)OC=C1	REAL250004647562	1	24	-1.0	-49.47	245.54	1.18	-48.29
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SCCO1	REAL250004647563	0	30	-1.0	-48.33	268.18	1.35	-46.98
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SCCO1	REAL250004647563	1	30	-1.0	-48.31	268.25	1.36	-46.95
O=C(NC1(C2=N[N-]N=N2)CC1)C(=O)C1=CC=C(O)C=C1	REAL250004647564	0	30	-1.0	-43.84	274.37	-0.35	-44.19
O=C(NC1(C2=NN=N[N-]2)CC1)C(=O)C1=CC=C(O)C=C1	REAL250004647564	1	30	-1.0	-43.85	274.43	-0.36	-44.21
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1Cl	REAL250004647565	0	30	-1.0	-55.31	282.45	3.66	-51.65
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1Cl	REAL250004647565	1	30	-1.0	-55.28	282.54	3.66	-51.62
CC1COCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647566	0	34	-1.0	-50.26	276.99	0.92	-49.34
CC1COCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647566	1	34	-1.0	-50.27	277.07	0.91	-49.36
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CCCC(C2)C1	REAL250004647567	0	40	-1.0	-46.02	300.42	4.15	-41.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CCCC(C2)C1	REAL250004647567	1	40	-1.0	-46.02	300.49	4.16	-41.86
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NS1	REAL250004647568	0	26	-1.0	-49.26	251.09	0.78	-48.48
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NS1	REAL250004647568	1	26	-1.0	-49.24	251.16	0.80	-48.44
CCC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647569	0	32	-1.0	-46.83	281.12	2.26	-44.57
CCC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647569	1	32	-1.0	-46.84	281.05	2.27	-44.57
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CC1=CC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C=O	REAL250004647597	1	35	-1.0	-54.62	298.74	3.34	-51.28
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CC(C)(C)N1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004647600	0	35	-1.0	-48.68	303.98	0.77	-47.91
CC(C)(C)N1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004647600	1	35	-1.0	-48.74	303.91	0.74	-48.00
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CC(C)N1CCOC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004647602	0	39	-1.0	-50.82	308.85	0.08	-50.74
CC(C)N1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647602	1	39	-1.0	-50.79	308.94	0.07	-50.72
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)C=C1Cl	REAL250004647603	0	33	-1.0	-48.23	292.93	4.28	-43.95
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)C=C1Cl	REAL250004647603	1	33	-1.0	-48.21	293.01	4.29	-43.92
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CN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C#N	REAL250004647604	1	28	-1.0	-52.79	266.41	0.38	-52.41
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CN1C=CC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647606	0	32	-1.0	-50.77	286.22	3.56	-47.21
CN1C=CC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647606	1	32	-1.0	-50.78	286.29	3.56	-47.22
COC1=CC(C)=CN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647607	0	33	-1.0	-55.17	289.27	1.98	-53.19
COC1=CC(C)=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647607	1	33	-1.0	-55.13	289.18	1.99	-53.14
CN1C=C(C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647608	0	35	-1.0	-49.16	314.21	1.80	-47.36
CN1C=C(C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647608	1	35	-1.0	-49.15	314.27	1.81	-47.34
CCC(C)C(OC)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647609	0	36	-1.0	-48.22	297.44	2.46	-45.76
CCC(C)C(OC)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647609	1	36	-1.0	-48.23	297.50	2.47	-45.76
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(Cl)S1	REAL250004647611	1	23	-1.0	-48.68	247.44	0.18	-48.50
N#CC(CCC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647612	0	37	-1.0	-42.89	328.47	5.04	-37.85
N#CC(CCC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647612	1	37	-1.0	-42.90	328.54	5.05	-37.85
CC(C)(C)OC(=O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647613	0	38	-1.0	-45.93	318.24	3.14	-42.79
CC(C)(C)OC(=O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647613	1	38	-1.0	-45.97	318.32	3.14	-42.83
CCOC(=O)C1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCC1	REAL250004647614	0	39	-1.0	-55.86	325.03	4.09	-51.77
CCOC(=O)C1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCC1	REAL250004647614	1	39	-1.0	-55.88	325.11	4.07	-51.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C(F)C=C1F	REAL250004647616	0	26	-1.0	-49.43	250.90	0.94	-48.49
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(F)C=C1F	REAL250004647616	1	26	-1.0	-49.44	250.84	0.91	-48.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(O)=CC=C1Cl	REAL250004647617	0	28	-1.0	-51.34	266.57	0.17	-51.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(O)=CC=C1Cl	REAL250004647617	1	28	-1.0	-51.39	266.66	0.17	-51.22
COC(=CC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647618	0	35	-1.0	-47.84	302.81	3.84	-44.00
COC(=CC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647618	1	35	-1.0	-47.83	302.89	3.83	-44.00
COC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647619	0	29	-1.0	-45.94	267.37	-2.54	-48.48
COC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647619	1	29	-1.0	-45.94	267.28	-2.53	-48.47
CC1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004647620	0	33	-1.0	-46.01	300.11	4.32	-41.69
CC1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004647620	1	33	-1.0	-46.03	300.18	4.33	-41.70
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CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL250004647623	0	30	-1.0	-51.43	276.96	3.69	-47.74
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL250004647623	1	30	-1.0	-51.42	277.04	3.68	-47.74
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2N=C1	REAL250004647624	0	32	-1.0	-47.52	283.48	3.02	-44.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2N=C1	REAL250004647624	1	32	-1.0	-47.47	283.41	3.01	-44.46
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCS(=O)(=O)C1	REAL250004647626	0	33	-1.0	-50.71	287.41	-1.05	-51.76
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COCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC=N1	REAL250004647672	0	30	-1.0	-50.52	280.52	-0.70	-51.22
COCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC=N1	REAL250004647672	1	30	-1.0	-50.53	280.59	-0.68	-51.21
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CCOC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647723	0	30	-1.0	-44.13	276.25	-1.12	-45.25
CCOC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647723	1	30	-1.0	-44.10	276.18	-1.15	-45.25
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NC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004647728	0	29	-1.0	-51.82	267.18	-2.99	-54.81
NC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004647728	1	29	-1.0	-51.86	267.25	-2.97	-54.83
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COC(CC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647734	0	37	-1.0	-48.81	321.23	4.24	-44.57
COC(CC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647734	1	37	-1.0	-48.84	321.30	4.25	-44.59
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COC1=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1O	REAL250004647738	0	35	-1.0	-51.05	307.41	0.44	-50.61
COC1=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1O	REAL250004647738	1	35	-1.0	-51.08	307.48	0.45	-50.63
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C(C#N)N1	REAL250004647739	0	29	-1.0	-47.70	269.20	1.22	-46.48
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C(C#N)N1	REAL250004647739	1	29	-1.0	-47.72	269.29	1.21	-46.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CCCN2N=C1	REAL250004647740	0	31	-1.0	-52.47	271.80	1.06	-51.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CCCN2N=C1	REAL250004647740	1	31	-1.0	-52.46	271.89	1.04	-51.42
C[Si](C)(C)CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647741	0	38	-1.0	-48.68	322.83	5.71	-42.97
C[Si](C)(C)CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647741	1	38	-1.0	-48.68	322.91	5.71	-42.97
CN1C=C(C=C(C#N)C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647742	0	32	-1.0	-45.79	294.10	1.78	-44.01
CN1C=C(C=C(C#N)C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647742	1	32	-1.0	-45.80	294.16	1.77	-44.03
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NC=CN2C1	REAL250004647743	0	34	-1.0	-46.25	287.95	2.76	-43.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NC=CN2C1	REAL250004647743	1	34	-1.0	-46.26	288.02	2.76	-43.50
N#CC1=C(F)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL250004647744	0	28	-1.0	-43.49	275.69	3.09	-40.40
N#CC1=C(F)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL250004647744	1	28	-1.0	-43.54	275.76	3.08	-40.46
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647745	0	34	-1.0	-51.58	298.35	3.70	-47.88
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647745	1	34	-1.0	-51.63	298.41	3.73	-47.90
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(CC(O)CO)N=C1	REAL250004647746	0	35	-1.0	-54.74	311.83	-4.20	-58.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(CC(O)CO)N=C1	REAL250004647746	1	35	-1.0	-54.72	311.76	-4.20	-58.92
CC1=NN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004647747	0	25	-1.0	-47.40	247.80	-0.77	-48.17
CC1=NN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004647747	1	25	-1.0	-47.42	247.87	-0.74	-48.16
CCN1N=C(C)C(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004647748	0	39	-1.0	-52.91	329.82	2.92	-49.99
CCN1N=C(C)C(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004647748	1	39	-1.0	-52.92	329.89	2.93	-49.99
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004647749	0	32	-1.0	-48.71	290.58	3.11	-45.60
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004647749	1	32	-1.0	-48.70	290.52	3.11	-45.59
CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1C	REAL250004647750	0	33	-1.0	-49.02	288.90	1.55	-47.47
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1C	REAL250004647750	1	33	-1.0	-49.06	288.97	1.55	-47.51
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2OCCCN2N=C1	REAL250004647751	0	32	-1.0	-56.43	279.81	-0.32	-56.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2OCCCN2N=C1	REAL250004647751	1	32	-1.0	-56.43	279.72	-0.32	-56.75
CC1=CC(C#N)=CN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647752	0	30	-1.0	-46.42	276.82	1.86	-44.56
CC1=CC(C#N)=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647752	1	30	-1.0	-46.36	276.75	1.84	-44.52
CC1=CC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004647753	0	34	-1.0	-46.46	304.17	4.52	-41.94
CC1=CC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004647753	1	34	-1.0	-46.43	304.23	4.52	-41.91
COC1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004647754	0	37	-1.0	-50.65	300.94	1.76	-48.89
COC1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647754	1	37	-1.0	-50.61	301.04	1.75	-48.86
CNC(=O)NCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647755	0	32	-1.0	-57.76	283.53	-2.71	-60.47
CNC(=O)NCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647755	1	32	-1.0	-57.78	283.60	-2.72	-60.50
CCOC1=NNC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647756	0	31	-1.0	-46.91	280.28	-2.28	-49.19
CCOC1=NNC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647756	1	31	-1.0	-46.90	280.37	-2.29	-49.19
CN(C)C1=CC(C#N)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647757	0	36	-1.0	-46.37	314.38	3.40	-42.97
CN(C)C1=CC(C#N)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647757	1	36	-1.0	-46.37	314.45	3.42	-42.95
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=CN=CN2C1	REAL250004647758	0	34	-1.0	-47.39	287.21	3.48	-43.91
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=CN=CN2C1	REAL250004647758	1	34	-1.0	-47.43	287.29	3.47	-43.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2=CC=CC=C2C1	REAL250004647759	0	34	-1.0	-49.40	289.99	4.25	-45.15
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2=CC=CC=C2C1	REAL250004647759	1	34	-1.0	-49.37	290.08	4.24	-45.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CN2C=CN=C12	REAL250004647760	0	29	-1.0	-62.40	266.55	1.49	-60.91
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CN2C=CN=C12	REAL250004647760	1	29	-1.0	-62.39	266.48	1.47	-60.92
CC(C)(C)N1C=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647761	0	35	-1.0	-56.95	303.08	2.78	-54.17
CC(C)(C)N1C=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647761	1	35	-1.0	-56.98	303.02	2.75	-54.23
CCCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004647762	0	32	-1.0	-47.39	286.29	2.13	-45.26
CCCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004647762	1	32	-1.0	-47.39	286.35	2.16	-45.23
NC1=NC(Cl)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647763	0	28	-1.0	-46.40	265.08	0.26	-46.14
NC1=NC(Cl)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647763	1	28	-1.0	-46.35	265.02	0.26	-46.09
CCC1=CC=C(C#CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647764	0	35	-1.0	-47.75	317.61	5.42	-42.33
CCC1=CC=C(C#CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647764	1	35	-1.0	-47.49	317.67	5.43	-42.06
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004647765	0	33	-1.0	-52.11	296.68	0.71	-51.40
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(C2=CC=CC=C2)N=CO1	REAL250004647765	1	33	-1.0	-52.13	296.54	0.72	-51.41
CN1C=NC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C21	REAL250004647766	0	33	-1.0	-56.94	291.34	3.98	-52.96
CN1C=NC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C21	REAL250004647766	1	33	-1.0	-56.92	291.27	3.98	-52.94
COC1=CC(Cl)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647767	0	31	-1.0	-46.95	289.33	2.45	-44.50
COC1=CC(Cl)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647767	1	31	-1.0	-47.02	289.40	2.44	-44.58
C#CCCOC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004647768	0	36	-1.0	-48.52	321.67	4.19	-44.33
C#CCCOC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004647768	1	36	-1.0	-48.56	321.73	4.20	-44.36
CCN1N=C(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647769	0	32	-1.0	-47.99	284.00	0.07	-47.92
CCN1N=C(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647769	1	32	-1.0	-47.99	284.09	0.06	-47.93
O=C(CC1=CN=CC(O)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647770	0	30	-1.0	-50.48	273.45	-1.33	-51.81
O=C(CC1=CN=CC(O)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647770	1	30	-1.0	-50.51	273.52	-1.32	-51.83
CN1C=NN(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004647771	0	33	-1.0	-54.01	297.20	2.28	-51.73
CN1C=NN(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004647771	1	33	-1.0	-53.99	297.27	2.28	-51.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004647772	0	33	-1.0	-53.92	297.89	1.30	-52.62
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC(C2=NC=CN2)=C1	REAL250004647772	1	33	-1.0	-53.95	297.96	1.31	-52.64
O=C(CN1N=NC2=C1CCCC2)NC1(C2=N[N-]N=N2)CC1	REAL250004647773	0	36	-1.0	-58.54	305.14	1.77	-56.77
O=C(CN1N=NC2=C1CCCC2)NC1(C2=NN=N[N-]2)CC1	REAL250004647773	1	36	-1.0	-58.57	305.21	1.78	-56.79
CC1=NC=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647774	0	34	-1.0	-48.31	299.98	2.10	-46.21
CC1=NC=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647774	1	34	-1.0	-48.36	300.05	2.11	-46.25
O=C(CCN1C=NC=CC1=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647775	0	32	-1.0	-48.31	287.82	2.11	-46.20
O=C(CCN1C=NC=CC1=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647775	1	32	-1.0	-48.32	287.75	2.10	-46.22
CC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004647776	0	29	-1.0	-55.70	278.00	2.19	-53.51
CC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004647776	1	29	-1.0	-55.72	278.07	2.19	-53.53
O=C(CC1CCCS(=O)(=O)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647777	0	36	-1.0	-63.38	306.21	-0.49	-63.87
O=C(CC1CCCS(=O)(=O)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647777	1	36	-1.0	-63.37	306.30	-0.49	-63.86
COC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004647778	0	29	-1.0	-53.43	265.66	-0.75	-54.18
COC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004647778	1	29	-1.0	-53.43	265.57	-0.73	-54.16
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CCC1CC2	REAL250004647779	0	37	-1.0	-48.36	285.62	3.63	-44.73
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CCC1CC2	REAL250004647779	1	37	-1.0	-48.33	285.71	3.63	-44.70
COCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647780	0	31	-1.0	-51.00	281.03	-1.06	-52.06
COCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647780	1	31	-1.0	-50.99	280.94	-1.04	-52.03
CC(OCC1=CC=NC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647781	0	36	-1.0	-52.38	317.06	2.61	-49.77
CC(OCC1=CC=NC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647781	1	36	-1.0	-52.39	317.13	2.61	-49.78
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CN1C(C)C	REAL250004647782	0	37	-1.0	-52.04	309.16	4.00	-48.04
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CN1C(C)C	REAL250004647782	1	37	-1.0	-52.06	309.25	4.00	-48.06
O=C(CC1=CNC2=CN=CC=C12)NC1(C2=N[N-]N=N2)CC1	REAL250004647783	0	33	-1.0	-54.31	294.21	1.61	-52.70
O=C(CC1=CNC2=CN=CC=C12)NC1(C2=NN=N[N-]2)CC1	REAL250004647783	1	33	-1.0	-54.31	294.27	1.61	-52.70
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CC=C1Cl	REAL250004647784	0	26	-1.0	-51.38	252.87	1.29	-50.09
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CC=C1Cl	REAL250004647784	1	26	-1.0	-51.35	252.78	1.30	-50.05
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CCCNC2=N1	REAL250004647785	0	32	-1.0	-57.00	281.01	1.46	-55.54
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CCCNC2=N1	REAL250004647785	1	32	-1.0	-57.04	280.92	1.47	-55.57
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(C2CC2)OC=N1	REAL250004647786	0	30	-1.0	-50.46	271.55	-0.52	-50.98
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(C2CC2)OC=N1	REAL250004647786	1	30	-1.0	-50.42	271.48	-0.53	-50.95
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(F)C=CS1	REAL250004647787	0	24	-1.0	-53.81	240.26	1.57	-52.24
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(F)C=CS1	REAL250004647787	1	24	-1.0	-53.83	240.35	1.57	-52.26
COCC(C)C(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647788	0	36	-1.0	-48.03	294.08	1.30	-46.73
COCC(C)C(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647788	1	36	-1.0	-48.05	294.16	1.31	-46.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=CC=CC(O)=C21	REAL250004647789	0	35	-1.0	-49.82	297.31	1.80	-48.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=CC=CC(O)=C21	REAL250004647789	1	35	-1.0	-49.78	297.39	1.81	-47.97
CN1C=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647790	0	33	-1.0	-50.88	291.79	1.81	-49.07
CN1C=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647790	1	33	-1.0	-50.85	291.86	1.81	-49.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C(=O)CCCC2=C1	REAL250004647791	0	36	-1.0	-48.37	307.82	4.23	-44.14
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C(=O)CCCC2=C1	REAL250004647791	1	36	-1.0	-48.39	307.89	4.24	-44.15
COC1CCCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647792	0	37	-1.0	-51.26	299.29	2.76	-48.50
COC1CCCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647792	1	37	-1.0	-51.28	299.37	2.78	-48.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC=C1Cl	REAL250004647793	0	27	-1.0	-47.87	261.96	3.09	-44.78
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CC=C1Cl	REAL250004647793	1	27	-1.0	-47.90	262.05	3.09	-44.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004647794	0	33	-1.0	-48.06	299.10	2.04	-46.02
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CCC1=NC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004647801	1	32	-1.0	-47.39	283.19	-0.67	-48.06
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COC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1C	REAL250004647806	0	34	-1.0	-48.70	300.39	2.47	-46.23
COC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1C	REAL250004647806	1	34	-1.0	-48.68	300.46	2.45	-46.23
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CCS(=O)(=O)NC(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647807	1	34	-1.0	-51.31	303.64	-2.62	-53.93
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COCC1=NOC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647810	0	30	-1.0	-51.94	273.80	-0.42	-52.36
COCC1=NOC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647810	1	30	-1.0	-51.97	273.87	-0.41	-52.38
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COC(=O)CC(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647812	0	35	-1.0	-54.42	297.46	2.33	-52.09
COC(=O)CC(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647812	1	35	-1.0	-54.43	297.53	2.34	-52.09
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CC1=CC=C2SC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=C1	REAL250004647821	0	33	-1.0	-49.56	303.48	4.59	-44.97
CC1=CC=C2SC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=C1	REAL250004647821	1	33	-1.0	-49.56	303.57	4.57	-44.99
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CCCC2)C=C1	REAL250004647824	1	38	-1.0	-47.48	323.89	5.96	-41.52
C#CC1=CC=CC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647825	0	32	-1.0	-49.50	292.73	4.38	-45.12
C#CC1=CC=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647825	1	32	-1.0	-49.55	292.80	4.39	-45.16
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O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CC(=O)NC(=O)N1	REAL250004647827	0	29	-1.0	-58.76	262.37	-3.95	-62.71
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CC(=O)NC(=O)N1	REAL250004647827	1	29	-1.0	-58.78	262.44	-3.94	-62.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CON=C1C(F)(F)F	REAL250004647828	0	26	-1.0	-53.02	256.93	0.91	-52.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CON=C1C(F)(F)F	REAL250004647828	1	26	-1.0	-53.08	256.85	0.92	-52.16
CN(C)C1=NC(N)=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647829	0	34	-1.0	-49.68	302.24	3.42	-46.26
CN(C)C1=NC(N)=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647829	1	34	-1.0	-49.68	302.18	3.41	-46.27
O=C(C=CCN1CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004647830	0	37	-1.0	-47.19	310.73	-0.52	-47.71
O=C(C=CCN1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004647830	1	37	-1.0	-47.20	310.80	-0.52	-47.72
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NN=CN2C1	REAL250004647831	0	33	-1.0	-50.72	282.24	3.30	-47.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NN=CN2C1	REAL250004647831	1	33	-1.0	-50.74	282.32	3.32	-47.42
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCCCC(=O)C1	REAL250004647832	0	38	-1.0	-52.76	296.25	2.85	-49.91
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCCCC(=O)C1	REAL250004647832	1	38	-1.0	-52.76	296.33	2.87	-49.89
CC(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004647833	0	35	-1.0	-49.08	300.72	2.65	-46.43
CC(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004647833	1	35	-1.0	-49.04	300.63	2.66	-46.38
CN(C)S(=O)(=O)NCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647834	0	33	-1.0	-53.75	299.08	-3.78	-57.53
CN(C)S(=O)(=O)NCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647834	1	33	-1.0	-53.79	299.15	-3.77	-57.56
C=CC(=O)N(CC)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647835	0	34	-1.0	-50.45	298.87	1.86	-48.59
C=CC(=O)N(CC)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647835	1	34	-1.0	-50.44	298.95	1.86	-48.58
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O=C(CC1=CN=CC=C1Cl)NC1(C2=N[N-]N=N2)CC1	REAL250004647836	1	29	-1.0	-48.18	276.93	1.95	-46.23
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2NC(=O)NC2=C1	REAL250004647837	0	30	-1.0	-46.09	272.77	-1.32	-47.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2NC(=O)NC2=C1	REAL250004647837	1	30	-1.0	-46.12	272.83	-1.31	-47.43
CCOC(=O)C(C)(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647838	0	38	-1.0	-44.07	316.60	3.14	-40.93
CCOC(=O)C(C)(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647838	1	38	-1.0	-44.09	316.67	3.14	-40.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC(C(F)(F)F)=C1	REAL250004647839	0	29	-1.0	-46.98	278.71	1.98	-45.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(C(F)(F)F)=C1	REAL250004647839	1	29	-1.0	-46.95	278.64	1.98	-44.97
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1NC(=O)N2	REAL250004647840	0	31	-1.0	-56.33	276.62	-0.50	-56.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1NC(=O)N2	REAL250004647840	1	31	-1.0	-56.34	276.53	-0.49	-56.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(C2=CC=CC=C2)N1	REAL250004647841	0	34	-1.0	-50.32	304.80	2.96	-47.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(C2=CC=CC=C2)N1	REAL250004647841	1	34	-1.0	-50.27	304.89	2.95	-47.32
CC1=NSC(C)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647842	0	29	-1.0	-44.84	272.56	1.47	-43.37
CC1=NSC(C)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647842	1	29	-1.0	-44.86	272.61	1.47	-43.39
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CCOC(=O)C(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(C)=O	REAL250004647845	0	37	-1.0	-51.64	326.27	2.47	-49.17
CCOC(=O)C(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(C)=O	REAL250004647845	1	37	-1.0	-51.66	326.34	2.48	-49.18
CC1=C2SC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=CC=C1	REAL250004647846	0	33	-1.0	-50.03	302.41	4.56	-45.47
CC1=C2SC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=CC=C1	REAL250004647846	1	33	-1.0	-50.05	302.50	4.54	-45.51
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CCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1O	REAL250004647848	0	34	-1.0	-48.40	294.83	1.33	-47.07
CCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1O	REAL250004647848	1	34	-1.0	-48.39	294.92	1.32	-47.07
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COC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004647850	1	31	-1.0	-48.25	286.83	0.84	-47.41
CN1C=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CN=C21	REAL250004647851	0	32	-1.0	-62.53	286.23	3.13	-59.40
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CCCC1=NC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004647852	1	35	-1.0	-46.78	304.68	0.11	-46.67
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CC1(C)CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647882	1	37	-1.0	-47.02	294.88	3.81	-43.21
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL250004647883	1	38	-1.0	-52.40	313.69	3.92	-48.48
CC(CC1=CN(C)N=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647884	0	36	-1.0	-49.99	307.54	2.33	-47.66
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CN1C(=O)CCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647888	1	34	-1.0	-49.06	286.02	0.60	-48.46
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCC(=O)N1	REAL250004647890	1	34	-1.0	-52.43	286.15	-0.51	-52.94
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CCON1CCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647892	1	42	-1.0	-46.97	332.84	1.67	-45.30
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CCC(CC(F)F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647895	0	32	-1.0	-48.77	270.91	2.29	-46.48
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CC(C)(C)C1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647897	1	39	-1.0	-44.43	306.95	3.87	-40.56
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COCC(C)(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647919	0	36	-1.0	-47.66	292.66	1.41	-46.25
COCC(C)(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647919	1	36	-1.0	-47.68	292.74	1.42	-46.26
CCCCCCOC(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647920	0	42	-1.0	-49.68	347.35	4.53	-45.15
CCCCCCOC(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647920	1	42	-1.0	-49.69	347.42	4.54	-45.15
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C[C@]1(C(=O)NC2(C3=N[N-]N=N3)CC2)C[C@@H]1C1=CC=CC=C1	REAL250004647926	0	37	-1.0	-49.39	308.03	5.08	-44.31
C[C@]1(C(=O)NC2(C3=NN=N[N-]3)CC2)C[C@@H]1C1=CC=CC=C1	REAL250004647926	1	37	-1.0	-49.36	308.11	5.09	-44.27
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CCCN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1=O	REAL250004647929	1	37	-1.0	-47.74	313.23	1.83	-45.91
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CC1=CC(Cl)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647936	0	29	-1.0	-46.35	269.81	1.67	-44.68
CC1=CC(Cl)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647936	1	29	-1.0	-46.36	269.88	1.69	-44.67
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COC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647940	1	36	-1.0	-48.37	300.16	2.54	-45.83
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CC(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004647944	0	38	-1.0	-48.80	316.82	3.06	-45.74
CC(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004647944	1	38	-1.0	-48.80	316.73	3.07	-45.73
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COC(=O)C1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647947	0	32	-1.0	-54.82	295.48	1.45	-53.37
COC(=O)C1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647947	1	32	-1.0	-54.82	295.39	1.46	-53.36
CNC1=CC=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647948	0	32	-1.0	-51.55	290.53	1.82	-49.73
CNC1=CC=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647948	1	32	-1.0	-51.54	290.62	1.81	-49.73
CC1=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C	REAL250004647949	0	30	-1.0	-54.26	282.37	1.25	-53.01
CC1=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C	REAL250004647949	1	30	-1.0	-54.26	282.44	1.27	-52.99
CN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004647950	0	34	-1.0	-46.93	285.91	0.87	-46.06
CN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004647950	1	34	-1.0	-46.95	285.98	0.87	-46.08
CCN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004647951	0	37	-1.0	-46.93	306.96	1.87	-45.06
CCN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004647951	1	37	-1.0	-46.92	307.03	1.87	-45.05
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004647952	0	33	-1.0	-44.30	284.59	1.76	-42.54
CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004647952	1	33	-1.0	-44.34	284.52	1.75	-42.59
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CC(=CC1CCC(C)CC1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647955	0	43	-1.0	-47.20	332.56	5.30	-41.90
CC(=CC1CCC(C)CC1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647955	1	43	-1.0	-47.17	332.64	5.29	-41.88
COC1=NSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647956	0	27	-1.0	-45.23	263.67	-1.66	-46.89
COC1=NSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647956	1	27	-1.0	-45.20	263.58	-1.65	-46.85
COC1=CC2=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N2C=C1	REAL250004647957	0	34	-1.0	-51.73	293.75	2.47	-49.26
COC1=CC2=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N2C=C1	REAL250004647957	1	34	-1.0	-51.70	293.68	2.47	-49.23
CC1=C2OC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C2=CC=C1	REAL250004647958	0	33	-1.0	-55.13	293.24	3.51	-51.62
CC1=C2OC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C2=CC=C1	REAL250004647958	1	33	-1.0	-55.14	293.15	3.51	-51.63
CCC(CC1=CC=CC=C1C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647959	0	42	-1.0	-46.64	337.72	6.10	-40.54
CCC(CC1=CC=CC=C1C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647959	1	42	-1.0	-46.60	337.79	6.11	-40.49
CNC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647960	0	30	-1.0	-51.00	269.66	-1.44	-52.44
CNC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647960	1	30	-1.0	-51.03	269.60	-1.46	-52.49
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=CN=CC=C2C=C1	REAL250004647962	1	31	-1.0	-49.20	281.35	1.18	-48.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC(F)C1	REAL250004647963	0	33	-1.0	-50.94	275.52	2.86	-48.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC(F)C1	REAL250004647963	1	33	-1.0	-50.94	275.61	2.85	-48.09
CC(C)(C)N1N=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004647964	0	38	-1.0	-49.73	311.97	1.34	-48.39
CC(C)(C)N1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004647964	1	38	-1.0	-49.68	311.88	1.36	-48.32
CN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)NC1=O	REAL250004647965	0	30	-1.0	-55.01	265.44	-2.04	-57.05
CN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)NC1=O	REAL250004647965	1	30	-1.0	-55.00	265.53	-2.06	-57.06
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC=CC(O)=C21	REAL250004647966	0	34	-1.0	-56.43	295.37	3.19	-53.24
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC=CC(O)=C21	REAL250004647966	1	34	-1.0	-56.40	295.28	3.19	-53.21
CC1=C(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647969	0	37	-1.0	-46.69	298.24	3.95	-42.74
CC1=C(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647969	1	37	-1.0	-46.69	298.32	3.95	-42.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2CCCC2=N1	REAL250004647970	0	31	-1.0	-54.99	272.16	2.07	-52.92
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2CCCC2=N1	REAL250004647970	1	31	-1.0	-55.01	272.23	2.10	-52.91
CON1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647971	0	36	-1.0	-46.50	292.10	0.02	-46.48
CON1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647971	1	36	-1.0	-46.48	292.16	0.02	-46.46
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=NC=C1	REAL250004647973	0	32	-1.0	-46.93	278.10	2.10	-44.83
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=NC=C1	REAL250004647973	1	32	-1.0	-46.95	278.17	2.11	-44.84
COC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004647974	0	30	-1.0	-52.13	270.06	0.11	-52.02
COC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004647974	1	30	-1.0	-52.12	269.97	0.11	-52.01
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2CCCCC2=C1	REAL250004647975	0	35	-1.0	-49.85	293.93	3.85	-46.00
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2CCCCC2=C1	REAL250004647975	1	35	-1.0	-49.86	294.00	3.86	-46.00
CCNC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004647977	0	31	-1.0	-48.94	289.51	0.39	-48.55
CCNC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004647977	1	31	-1.0	-48.94	289.42	0.40	-48.54
NC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL250004647978	0	30	-1.0	-47.90	276.78	0.47	-47.43
NC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL250004647978	1	30	-1.0	-47.86	276.71	0.47	-47.39
COCC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647979	0	34	-1.0	-47.42	287.71	1.67	-45.75
COCC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647979	1	34	-1.0	-47.46	287.78	1.67	-45.79
CN1N=C(C2CC2)N=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647980	0	36	-1.0	-51.48	316.15	2.76	-48.72
CN1N=C(C2CC2)N=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647980	1	36	-1.0	-51.46	316.22	2.76	-48.70
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CC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1(F)Cl	REAL250004647982	0	30	-1.0	-42.65	277.29	2.88	-39.77
CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1(F)Cl	REAL250004647982	1	30	-1.0	-42.66	277.35	2.91	-39.75
O=C(CC1=C2C=CC=CN2N=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647983	0	33	-1.0	-51.85	295.38	3.12	-48.73
O=C(CC1=C2C=CC=CN2N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647983	1	33	-1.0	-51.87	295.32	3.11	-48.76
CC1CCN2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2C1	REAL250004647984	0	37	-1.0	-51.15	307.53	2.49	-48.66
CC1CCN2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2C1	REAL250004647984	1	37	-1.0	-51.20	307.60	2.51	-48.69
O=C(CC1=CC=C2OCCCC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004647985	0	38	-1.0	-50.19	321.28	3.94	-46.25
O=C(CC1=CC=C2OCCCC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004647985	1	38	-1.0	-50.18	321.34	3.94	-46.24
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC2=CC=C(F)C=C12	REAL250004647986	0	30	-1.0	-56.34	278.14	2.91	-53.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC2=CC=C(F)C=C12	REAL250004647986	1	30	-1.0	-56.33	278.23	2.91	-53.42
CC(C)CN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647987	0	36	-1.0	-48.57	299.92	2.72	-45.85
CC(C)CN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647987	1	36	-1.0	-48.56	299.85	2.73	-45.83
CC(C)(C)OC(=O)CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647988	0	41	-1.0	-54.63	339.74	3.92	-50.71
CC(C)(C)OC(=O)CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647988	1	41	-1.0	-54.66	339.82	3.92	-50.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CCOCC2=C1	REAL250004647989	0	32	-1.0	-52.96	281.35	-0.46	-53.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CCOCC2=C1	REAL250004647989	1	32	-1.0	-52.97	281.44	-0.48	-53.45
CC(C)=CCCC(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647990	0	42	-1.0	-46.44	337.82	5.12	-41.32
CC(C)=CCCC(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647990	1	42	-1.0	-46.42	337.88	5.11	-41.31
CC1(C)CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL250004647991	0	38	-1.0	-47.30	319.49	3.88	-43.42
CC1(C)CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL250004647991	1	38	-1.0	-47.29	319.56	3.89	-43.40
CC(C)(C)OC(=O)COCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647992	0	39	-1.0	-58.77	331.87	3.10	-55.67
CC(C)(C)OC(=O)COCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647992	1	39	-1.0	-58.82	331.94	3.10	-55.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC=NC=C21	REAL250004647993	0	32	-1.0	-59.69	278.14	2.78	-56.91
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC=NC=C21	REAL250004647993	1	32	-1.0	-59.64	278.07	2.76	-56.88
C=CCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004647994	0	30	-1.0	-48.74	278.55	0.23	-48.51
C=CCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004647994	1	30	-1.0	-48.71	278.46	0.24	-48.47
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CCC2)N=N1	REAL250004647995	0	33	-1.0	-48.30	289.29	0.80	-47.50
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CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647996	0	39	-1.0	-47.64	317.77	4.24	-43.40
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647996	1	39	-1.0	-47.66	317.85	4.25	-43.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC(O)=CC=C21	REAL250004647997	0	34	-1.0	-57.37	294.36	1.78	-55.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC(O)=CC=C21	REAL250004647997	1	34	-1.0	-57.32	294.29	1.76	-55.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(O)C2=NC=CC=C2C=C1	REAL250004647998	0	33	-1.0	-57.25	292.73	1.53	-55.72
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O=C(NC1(C2=N[N-]N=N2)CC1)C1CS(=O)(=O)C1	REAL250004648000	0	27	-1.0	-51.21	253.28	-2.47	-53.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1CS(=O)(=O)C1	REAL250004648000	1	27	-1.0	-51.22	253.35	-2.46	-53.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCNC1=O	REAL250004648001	0	31	-1.0	-53.83	263.18	-0.89	-54.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCNC1=O	REAL250004648001	1	31	-1.0	-53.88	263.26	-0.90	-54.78
COC1=NN(C)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648002	0	31	-1.0	-59.63	280.09	-1.44	-61.07
COC1=NN(C)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648002	1	31	-1.0	-59.62	280.00	-1.45	-61.07
CSC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CO1	REAL250004648004	0	28	-1.0	-48.99	269.93	1.82	-47.17
CSC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CO1	REAL250004648004	1	28	-1.0	-48.98	270.00	1.83	-47.15
CC1=NN(C(C)C)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648005	0	36	-1.0	-52.08	306.33	2.25	-49.83
CC1=NN(C(C)C)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648005	1	36	-1.0	-52.07	306.42	2.24	-49.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)F)N=C1	REAL250004648006	0	29	-1.0	-45.24	272.68	1.72	-43.52
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)F)N=C1	REAL250004648006	1	29	-1.0	-45.24	272.75	1.72	-43.52
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2OCCOC2=CS1	REAL250004648007	0	30	-1.0	-54.28	277.92	0.99	-53.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2OCCOC2=CS1	REAL250004648007	1	30	-1.0	-54.31	278.01	0.98	-53.33
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648009	0	37	-1.0	-46.90	325.46	4.99	-41.91
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648009	1	37	-1.0	-46.92	325.53	4.99	-41.93
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648010	0	34	-1.0	-51.22	305.20	-0.18	-51.40
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648010	1	34	-1.0	-51.19	305.27	-0.15	-51.34
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(CCF)C(=O)C=C1	REAL250004648011	0	32	-1.0	-44.70	293.91	0.66	-44.04
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(CCF)C(=O)C=C1	REAL250004648011	1	32	-1.0	-44.66	294.00	0.65	-44.01
CC(C)(C)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648012	0	39	-1.0	-48.11	318.25	4.95	-43.16
CC(C)(C)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648012	1	39	-1.0	-48.10	318.32	4.96	-43.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(C2CC2)=C1	REAL250004648013	0	34	-1.0	-49.24	292.33	4.73	-44.51
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C2CC2)=C1	REAL250004648013	1	34	-1.0	-49.17	292.40	4.72	-44.45
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2OCCOC2=N1	REAL250004648014	0	32	-1.0	-51.10	284.42	-1.27	-52.37
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2OCCOC2=N1	REAL250004648014	1	32	-1.0	-51.03	284.35	-1.29	-52.32
O=C(CCCC1=CC=C(F)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648015	0	36	-1.0	-48.28	316.88	4.97	-43.31
O=C(CCCC1=CC=C(F)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648015	1	36	-1.0	-48.29	316.95	4.97	-43.32
CC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1C	REAL250004648016	0	33	-1.0	-61.96	297.19	1.62	-60.34
CC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1C	REAL250004648016	1	33	-1.0	-61.95	297.25	1.62	-60.33
O=C(CC1OCC2=CC=CC=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004648017	0	35	-1.0	-51.66	302.06	3.23	-48.43
O=C(CC1OCC2=CC=CC=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004648017	1	35	-1.0	-51.70	302.15	3.22	-48.48
COC1=CN2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004648018	0	34	-1.0	-52.40	299.98	1.49	-50.91
COC1=CN2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2C=C1	REAL250004648018	1	34	-1.0	-52.36	299.89	1.51	-50.85
O=C(CCC1CCCCCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648019	0	42	-1.0	-45.93	321.66	4.69	-41.24
O=C(CCC1CCCCCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648019	1	42	-1.0	-45.94	321.73	4.69	-41.25
CC1(C)CC2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2O1	REAL250004648020	0	38	-1.0	-58.72	319.49	4.66	-54.06
CC1(C)CC2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2O1	REAL250004648020	1	38	-1.0	-58.73	319.58	4.65	-54.08
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCS1(=O)=O	REAL250004648021	0	30	-1.0	-56.00	268.41	-0.49	-56.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCS1(=O)=O	REAL250004648021	1	30	-1.0	-56.01	268.48	-0.48	-56.49
NC1=NC(C2CC2)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648022	0	34	-1.0	-46.94	295.31	1.26	-45.68
NC1=NC(C2CC2)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648022	1	34	-1.0	-46.94	295.40	1.26	-45.68
CN1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL250004648023	0	39	-1.0	-48.23	314.06	3.38	-44.85
CN1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL250004648023	1	39	-1.0	-48.21	314.13	3.38	-44.83
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CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004648056	0	33	-1.0	-45.72	285.13	3.25	-42.47
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004648056	1	33	-1.0	-45.75	285.20	3.26	-42.49
CCN1C=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648057	0	33	-1.0	-52.75	291.13	1.93	-50.82
CCN1C=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648057	1	33	-1.0	-52.73	291.20	1.94	-50.79
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CSC1=CC=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648058	1	30	-1.0	-53.04	275.09	1.76	-51.28
CCC1=NC=CN1C(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648059	0	39	-1.0	-44.24	325.90	3.80	-40.44
CCC1=NC=CN1C(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648059	1	39	-1.0	-44.24	325.97	3.80	-40.44
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CSC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648061	0	30	-1.0	-48.60	283.43	1.94	-46.66
CSC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648061	1	30	-1.0	-48.58	283.36	1.92	-46.66
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL250004648062	0	33	-1.0	-45.25	300.03	4.38	-40.87
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL250004648062	1	33	-1.0	-45.26	300.10	4.38	-40.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC1C1CCCC1	REAL250004648063	0	37	-1.0	-46.63	296.23	4.14	-42.49
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COC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004648064	0	30	-1.0	-46.14	275.87	1.19	-44.95
COC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004648064	1	30	-1.0	-46.14	275.94	1.19	-44.95
CSCC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648065	0	34	-1.0	-46.90	297.81	3.74	-43.16
CSCC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648065	1	34	-1.0	-46.93	297.88	3.74	-43.19
NC(=O)C1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648066	0	30	-1.0	-59.35	280.50	-1.86	-61.21
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CC(C)(C)N1N=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648067	0	34	-1.0	-50.36	299.93	0.28	-50.08
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COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1C#N	REAL250004648070	0	32	-1.0	-47.51	292.75	2.34	-45.17
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1C#N	REAL250004648070	1	32	-1.0	-47.50	292.82	2.34	-45.16
CC1=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N=CN2C=C1	REAL250004648071	0	33	-1.0	-59.59	292.81	4.45	-55.14
CC1=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N=CN2C=C1	REAL250004648071	1	33	-1.0	-59.61	292.72	4.45	-55.16
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N#CC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004648073	0	37	-1.0	-53.82	299.96	3.14	-50.68
N#CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004648073	1	37	-1.0	-53.86	300.03	3.15	-50.71
COC1=NOC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648074	0	33	-1.0	-47.19	296.90	-0.31	-47.50
COC1=NOC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648074	1	33	-1.0	-47.22	296.97	-0.30	-47.52
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CN1C=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004648076	0	30	-1.0	-52.17	278.20	0.38	-51.79
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CCCCCC1=NNC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648077	1	39	-1.0	-47.16	332.82	2.62	-44.54
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CNC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004648078	1	28	-1.0	-49.62	267.93	-0.43	-50.05
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648079	0	31	-1.0	-50.53	290.02	2.04	-48.49
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648079	1	31	-1.0	-50.54	290.08	2.07	-48.47
CC1(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL250004648080	0	45	-1.0	-45.63	339.61	4.78	-40.85
CC1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL250004648080	1	45	-1.0	-45.66	339.68	4.79	-40.87
O=C(CN1C=C(C2CC2)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648081	0	34	-1.0	-55.89	298.73	2.88	-53.01
O=C(CN1C=C(C2CC2)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648081	1	34	-1.0	-55.86	298.66	2.87	-52.99
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1COCC2	REAL250004648082	0	35	-1.0	-52.85	291.12	2.64	-50.21
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1COCC2	REAL250004648082	1	35	-1.0	-52.83	291.21	2.63	-50.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(CC2(F)F)C1	REAL250004648083	0	31	-1.0	-45.06	279.37	3.15	-41.91
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(CC2(F)F)C1	REAL250004648083	1	31	-1.0	-45.09	279.44	3.17	-41.92
COC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004648084	0	33	-1.0	-46.53	301.02	2.08	-44.45
COC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004648084	1	33	-1.0	-46.51	301.11	2.08	-44.43
O=C(NC1(C2=N[N-]N=N2)CC1)C(CO)C1=CC=CC=C1	REAL250004648085	0	34	-1.0	-48.47	292.63	1.01	-47.46
O=C(NC1(C2=NN=N[N-]2)CC1)C(CO)C1=CC=CC=C1	REAL250004648085	1	34	-1.0	-48.47	292.70	1.01	-47.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2N=C(CO)NC2=CC=C1	REAL250004648086	0	34	-1.0	-62.59	300.76	-1.10	-63.69
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2N=C(CO)NC2=CC=C1	REAL250004648086	1	34	-1.0	-62.61	300.67	-1.09	-63.70
CCC1=CNC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648087	0	33	-1.0	-52.41	289.50	1.38	-51.03
CCC1=CNC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648087	1	33	-1.0	-52.44	289.56	1.38	-51.06
O=C(CC1=CN=CC2=CC=CC=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004648088	0	35	-1.0	-52.22	305.04	3.66	-48.56
O=C(CC1=CN=CC2=CC=CC=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004648088	1	35	-1.0	-52.22	305.12	3.67	-48.55
CC(=CC(=O)NC1(C2=N[N-]N=N2)CC1)CN1CCOCC1	REAL250004648089	0	40	-1.0	-45.92	325.17	0.07	-45.85
CC(=CC(=O)NC1(C2=NN=N[N-]2)CC1)CN1CCOCC1	REAL250004648089	1	40	-1.0	-45.94	325.23	0.07	-45.87
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN=C(C2=CC=CO2)O1	REAL250004648090	0	29	-1.0	-50.45	279.59	-3.36	-53.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN=C(C2=CC=CO2)O1	REAL250004648090	1	29	-1.0	-50.46	279.68	-3.37	-53.83
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2C=CC=NC2=N1	REAL250004648091	0	28	-1.0	-61.14	264.03	2.66	-58.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2C=CC=NC2=N1	REAL250004648091	1	28	-1.0	-61.14	263.94	2.67	-58.47
CC(=CC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL250004648092	0	31	-1.0	-46.19	277.12	2.71	-43.48
CC(=CC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL250004648092	1	31	-1.0	-46.23	277.19	2.69	-43.54
CC1=NNC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C12	REAL250004648093	0	33	-1.0	-49.13	291.67	1.94	-47.19
CC1=NNC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C12	REAL250004648093	1	33	-1.0	-49.18	291.60	1.94	-47.24
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CNC(=S)N1C1CC1	REAL250004648094	0	32	-1.0	-54.61	287.04	2.69	-51.92
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CNC(=S)N1C1CC1	REAL250004648094	1	32	-1.0	-54.65	287.10	2.71	-51.94
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C2=CC=CN=C2)=N1	REAL250004648095	0	32	-1.0	-49.29	298.29	-0.84	-50.13
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C2=CC=CN=C2)=N1	REAL250004648095	1	32	-1.0	-49.27	298.20	-0.83	-50.10
CC1=CC=NC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648096	0	32	-1.0	-50.01	279.19	2.01	-48.00
CC1=CC=NC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648096	1	32	-1.0	-50.09	279.27	2.02	-48.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CSC2=NC=N1	REAL250004648097	0	28	-1.0	-46.83	268.83	1.83	-45.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CSC2=NC=N1	REAL250004648097	1	28	-1.0	-46.90	268.75	1.83	-45.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1C(F)F	REAL250004648098	0	27	-1.0	-51.21	254.13	0.41	-50.80
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1C(F)F	REAL250004648098	1	27	-1.0	-51.16	254.07	0.38	-50.78
CC1=NN(C(C)CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648099	0	36	-1.0	-44.72	306.45	2.34	-42.38
CC1=NN(C(C)CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648099	1	36	-1.0	-44.77	306.52	2.34	-42.43
O=C(CCCC1=CC=CN=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648100	0	35	-1.0	-50.65	305.30	3.12	-47.53
O=C(CCCC1=CC=CN=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648100	1	35	-1.0	-50.65	305.37	3.12	-47.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(CF)C=C1	REAL250004648101	0	30	-1.0	-49.44	271.10	3.45	-45.99
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(CF)C=C1	REAL250004648101	1	30	-1.0	-49.42	271.17	3.45	-45.97
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCOC1	REAL250004648102	0	35	-1.0	-52.02	293.42	0.42	-51.60
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCOC1	REAL250004648102	1	35	-1.0	-52.03	293.49	0.43	-51.60
CC(C)(C)N1N=NC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648103	0	37	-1.0	-53.07	320.51	0.89	-52.18
CC(C)(C)N1N=NC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648103	1	37	-1.0	-53.08	320.58	0.90	-52.18
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2COCCC2=C1	REAL250004648104	0	35	-1.0	-48.92	296.71	2.74	-46.18
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2COCCC2=C1	REAL250004648104	1	35	-1.0	-48.96	296.78	2.74	-46.22
O=C(CCC1CC1(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004648105	0	30	-1.0	-46.22	272.71	2.80	-43.42
O=C(CCC1CC1(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004648105	1	30	-1.0	-46.25	272.78	2.81	-43.44
COCCCOCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648106	0	37	-1.0	-46.75	318.57	0.23	-46.52
COCCCOCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648106	1	37	-1.0	-46.74	318.64	0.23	-46.51
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648107	0	38	-1.0	-47.20	324.11	3.95	-43.25
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648107	1	38	-1.0	-47.18	324.18	3.96	-43.22
COCC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648108	0	33	-1.0	-48.67	293.29	0.55	-48.12
COCC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648108	1	33	-1.0	-48.66	293.22	0.55	-48.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2CCCN12	REAL250004648109	0	31	-1.0	-54.67	268.62	2.01	-52.66
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2CCCN12	REAL250004648109	1	31	-1.0	-54.71	268.69	2.03	-52.68
CC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(N)=N1	REAL250004648110	0	30	-1.0	-46.71	264.80	-0.43	-47.14
CC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(N)=N1	REAL250004648110	1	30	-1.0	-46.74	264.89	-0.44	-47.18
O=C(CCC1CC1(Cl)Cl)NC1(C2=N[N-]N=N2)CC1	REAL250004648111	0	30	-1.0	-45.15	292.11	3.67	-41.48
O=C(CCC1CC1(Cl)Cl)NC1(C2=NN=N[N-]2)CC1	REAL250004648111	1	30	-1.0	-45.14	292.18	3.67	-41.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CCCCN2C=C1	REAL250004648113	0	35	-1.0	-54.48	291.63	3.71	-50.77
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CCCCN2C=C1	REAL250004648113	1	35	-1.0	-54.47	291.70	3.73	-50.74
CCNC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648114	0	31	-1.0	-49.87	289.26	0.51	-49.36
CCNC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648114	1	31	-1.0	-49.87	289.17	0.52	-49.35
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CC2)C=C1	REAL250004648115	0	34	-1.0	-48.01	292.31	4.74	-43.27
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CC2)C=C1	REAL250004648115	1	34	-1.0	-48.03	292.38	4.73	-43.30
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004648116	0	37	-1.0	-47.41	297.57	3.35	-44.06
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004648116	1	37	-1.0	-47.19	300.51	3.33	-43.86
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648117	0	37	-1.0	-48.62	313.34	5.06	-43.56
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648117	1	37	-1.0	-48.68	313.43	5.05	-43.63
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2=CC=CC=C2CO1	REAL250004648118	0	35	-1.0	-52.51	299.65	3.67	-48.84
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2=CC=CC=C2CO1	REAL250004648118	1	35	-1.0	-52.50	299.72	3.68	-48.82
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL250004648119	0	40	-1.0	-48.87	321.24	3.72	-45.15
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL250004648119	1	40	-1.0	-48.89	321.32	3.71	-45.18
CC(CC1=CC=CO1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648120	0	33	-1.0	-46.59	286.95	2.83	-43.76
CC(CC1=CC=CO1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648120	1	33	-1.0	-46.61	287.02	2.84	-43.77
CC1CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL250004648121	0	35	-1.0	-48.42	300.04	3.25	-45.17
CC1CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL250004648121	1	35	-1.0	-48.43	300.11	3.24	-45.19
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(C1)CCCCC2	REAL250004648122	0	40	-1.0	-47.55	314.05	4.39	-43.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(C1)CCCCC2	REAL250004648122	1	40	-1.0	-47.56	314.14	4.39	-43.17
COCC1=CSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648123	0	31	-1.0	-50.14	290.46	1.23	-48.91
COCC1=CSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648123	1	31	-1.0	-50.17	290.55	1.22	-48.95
CC[C@@H]1CCO[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648124	0	34	-1.0	-52.21	277.20	2.69	-49.52
CC[C@@H]1CCO[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648124	1	34	-1.0	-52.24	277.28	2.70	-49.54
CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCO1	REAL250004648125	0	37	-1.0	-47.99	298.62	1.89	-46.10
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCO1	REAL250004648125	1	37	-1.0	-47.98	298.69	1.90	-46.08
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NOC2=C1COCC2	REAL250004648126	0	31	-1.0	-49.43	274.80	0.11	-49.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NOC2=C1COCC2	REAL250004648126	1	31	-1.0	-49.43	274.89	0.11	-49.32
CC1=CN2C=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=N1	REAL250004648127	0	33	-1.0	-54.58	291.65	3.80	-50.78
CC1=CN2C=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=N1	REAL250004648127	1	33	-1.0	-54.57	291.72	3.79	-50.78
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CC2)N=N1	REAL250004648128	0	30	-1.0	-48.55	273.99	0.35	-48.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2CC2)N=N1	REAL250004648128	1	30	-1.0	-48.54	273.90	0.35	-48.19
O=C(CC1NC(=O)C2=CC=CC=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004648129	0	35	-1.0	-57.72	307.52	0.95	-56.77
O=C(CC1NC(=O)C2=CC=CC=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004648129	1	35	-1.0	-57.74	307.61	0.93	-56.81
CNC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL250004648130	0	32	-1.0	-46.45	282.36	1.54	-44.91
CNC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL250004648130	1	32	-1.0	-46.44	282.42	1.55	-44.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2C(C1)C2(F)F	REAL250004648131	0	34	-1.0	-54.27	285.18	3.47	-50.80
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2C(C1)C2(F)F	REAL250004648131	1	34	-1.0	-54.25	285.25	3.49	-50.76
COC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CO1	REAL250004648132	0	27	-1.0	-47.69	254.67	-3.88	-51.57
COC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CO1	REAL250004648132	1	27	-1.0	-47.69	254.60	-3.90	-51.59
CC1=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=NC=C1Cl	REAL250004648133	0	32	-1.0	-48.43	296.81	2.79	-45.64
CC1=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=NC=C1Cl	REAL250004648133	1	32	-1.0	-48.42	296.88	2.79	-45.63
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648134	0	37	-1.0	-46.23	308.51	2.16	-44.07
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648134	1	37	-1.0	-46.23	308.58	2.17	-44.06
COC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648135	0	38	-1.0	-53.73	316.67	1.54	-52.19
COC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648135	1	38	-1.0	-53.79	316.74	1.54	-52.25
O=C(CCC1=CC=CN=C1Cl)NC1(C2=NN=N[N-]2)CC1	REAL250004648136	0	32	-1.0	-50.68	296.71	2.64	-48.04
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CSC1=CC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648163	1	31	-1.0	-47.08	288.43	2.38	-44.70
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CC(C)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648165	0	36	-1.0	-49.11	303.31	4.54	-44.57
CC(C)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648165	1	36	-1.0	-49.11	303.38	4.53	-44.58
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COCCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648167	1	37	-1.0	-49.80	323.83	1.08	-48.72
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CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=NC=C1	REAL250004648169	0	35	-1.0	-46.68	297.73	2.81	-43.87
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=NC=C1	REAL250004648169	1	35	-1.0	-46.67	297.79	2.81	-43.86
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CC1=CC=CC=C1COCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648172	0	37	-1.0	-52.02	318.22	4.39	-47.63
CC1=CC=CC=C1COCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648172	1	37	-1.0	-52.00	318.28	4.39	-47.61
CC1=CC=CC(COCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648173	0	37	-1.0	-51.29	323.46	4.36	-46.93
CC1=CC=CC(COCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648173	1	37	-1.0	-51.29	323.52	4.37	-46.92
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O=C(CN1C=CC(C(F)F)=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648175	1	30	-1.0	-54.50	282.45	1.58	-52.92
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CC1=CN2C=CN=C2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648177	0	33	-1.0	-55.89	290.02	4.29	-51.60
CC1=CN2C=CN=C2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648177	1	33	-1.0	-55.91	290.11	4.28	-51.63
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CCCN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648179	0	33	-1.0	-48.11	286.92	1.81	-46.30
CCCN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648179	1	33	-1.0	-48.11	286.84	1.82	-46.29
CC1=CC=C(COCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648180	0	37	-1.0	-52.34	323.76	4.36	-47.98
CC1=CC=C(COCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648180	1	37	-1.0	-52.40	323.84	4.36	-48.04
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COC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648182	0	34	-1.0	-53.96	285.94	2.43	-51.53
COC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648182	1	34	-1.0	-53.95	286.01	2.45	-51.50
CCC1=CNC(=O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648183	0	33	-1.0	-59.52	283.97	1.48	-58.04
CCC1=CNC(=O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648183	1	33	-1.0	-59.51	284.04	1.48	-58.03
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CN1N=CC(Cl)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648185	1	27	-1.0	-44.73	265.33	0.63	-44.10
CC1=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004648186	0	36	-1.0	-48.09	310.39	4.63	-43.46
CC1=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004648186	1	36	-1.0	-48.13	310.46	4.64	-43.49
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(N2CCCC2)=C1	REAL250004648187	0	39	-1.0	-51.29	320.66	3.15	-48.14
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(N2CCCC2)=C1	REAL250004648187	1	39	-1.0	-51.31	320.72	3.16	-48.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CC(=O)NC2=NC=C1	REAL250004648188	0	31	-1.0	-50.79	278.34	0.14	-50.65
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CCN1N=CC(Cl)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648189	0	30	-1.0	-49.70	274.55	2.04	-47.66
CCN1N=CC(Cl)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648189	1	30	-1.0	-49.64	274.46	2.04	-47.60
COC(=O)C1=C(C)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648190	0	33	-1.0	-45.71	302.05	1.92	-43.79
COC(=O)C1=C(C)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648190	1	33	-1.0	-45.73	302.14	1.91	-43.82
COC(=O)C1=CN(CC(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004648191	0	33	-1.0	-52.81	304.63	1.43	-51.38
COC(=O)C1=CN(CC(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004648191	1	33	-1.0	-52.77	304.56	1.43	-51.34
NC(=O)C1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648192	0	32	-1.0	-47.93	300.05	-1.08	-49.01
NC(=O)C1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648192	1	32	-1.0	-47.94	300.12	-1.08	-49.02
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004648193	0	34	-1.0	-45.51	284.72	2.61	-42.90
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004648193	1	34	-1.0	-45.51	284.79	2.63	-42.88
CSC1=CC=C(O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648194	0	32	-1.0	-49.90	292.00	2.05	-47.85
CSC1=CC=C(O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648194	1	32	-1.0	-49.90	292.10	2.04	-47.86
CCCCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004648195	0	41	-1.0	-47.62	319.30	4.63	-42.99
CCCCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004648195	1	41	-1.0	-47.62	319.36	4.61	-43.01
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CC2)CC1	REAL250004648196	0	37	-1.0	-44.12	298.59	4.18	-39.94
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2(CC2)CC1	REAL250004648196	1	37	-1.0	-44.09	298.66	4.19	-39.90
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=CC(F)=CC=C21	REAL250004648197	0	34	-1.0	-44.19	295.17	4.46	-39.73
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=CC(F)=CC=C21	REAL250004648197	1	34	-1.0	-44.17	295.24	4.45	-39.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004648198	0	40	-1.0	-49.02	333.47	5.86	-43.16
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004648198	1	40	-1.0	-49.00	333.55	5.88	-43.12
CCOCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648199	0	37	-1.0	-46.92	324.25	1.28	-45.64
CCOCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648199	1	37	-1.0	-46.97	324.18	1.26	-45.71
CN1C=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648200	0	27	-1.0	-53.83	263.46	0.81	-53.02
CN1C=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648200	1	27	-1.0	-53.80	263.39	0.80	-53.00
CCOC1=CC=CC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648201	0	38	-1.0	-49.32	328.82	4.04	-45.28
CCOC1=CC=CC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648201	1	38	-1.0	-49.33	328.89	4.04	-45.29
COC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648202	0	35	-1.0	-49.29	307.20	3.12	-46.17
COC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648202	1	35	-1.0	-49.27	307.28	3.12	-46.15
O=C(CC1=CC=C(F)C(Cl)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648203	0	30	-1.0	-45.73	290.17	3.87	-41.86
O=C(CC1=CC=C(F)C(Cl)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648203	1	30	-1.0	-45.72	290.24	3.87	-41.85
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Cl)SC=C1	REAL250004648204	0	24	-1.0	-51.33	248.03	2.02	-49.31
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Cl)SC=C1	REAL250004648204	1	24	-1.0	-51.35	248.11	2.02	-49.33
CC(=CC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL250004648205	0	31	-1.0	-45.10	286.32	3.69	-41.41
CC(=CC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL250004648205	1	31	-1.0	-45.07	286.39	3.68	-41.39
CN1C=C(CCC(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004648206	0	32	-1.0	-53.34	285.76	0.59	-52.75
CN1C=C(CCC(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004648206	1	32	-1.0	-53.36	285.82	0.59	-52.77
CCOCCOCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648207	0	40	-1.0	-53.01	340.37	1.35	-51.66
CCOCCOCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648207	1	40	-1.0	-53.03	340.45	1.35	-51.68
CSC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004648208	0	31	-1.0	-47.63	288.78	2.48	-45.15
CSC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004648208	1	31	-1.0	-47.61	288.84	2.50	-45.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=NO1	REAL250004648209	0	23	-1.0	-41.92	238.91	0.35	-41.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=NO1	REAL250004648209	1	23	-1.0	-41.87	238.82	0.35	-41.52
CN1C(=O)NCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648210	0	30	-1.0	-54.87	263.20	-2.02	-56.89
CN1C(=O)NCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648210	1	30	-1.0	-54.87	263.29	-2.04	-56.91
CCC(C)(C)C(=O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648211	0	34	-1.0	-41.71	279.12	1.88	-39.83
CCC(C)(C)C(=O)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648211	1	34	-1.0	-41.73	279.19	1.87	-39.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(C(F)(F)F)C=NN1	REAL250004648213	0	27	-1.0	-48.67	261.11	0.03	-48.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(C(F)(F)F)C=NN1	REAL250004648213	1	27	-1.0	-48.67	261.20	0.03	-48.64
O=C(CC1=CC(C2CC2)=NO1)NC1(C2=N[N-]N=N2)CC1	REAL250004648214	0	33	-1.0	-49.19	294.67	2.99	-46.20
O=C(CC1=CC(C2CC2)=NO1)NC1(C2=NN=N[N-]2)CC1	REAL250004648214	1	33	-1.0	-49.20	294.74	2.99	-46.21
CC1=NOC(C2(C(=O)NC3(C4=N[N-]N=N4)CC3)CC2)=C1	REAL250004648216	0	33	-1.0	-47.17	297.37	2.76	-44.41
CC1=NOC(C2(C(=O)NC3(C4=NN=N[N-]4)CC3)CC2)=C1	REAL250004648216	1	33	-1.0	-47.21	297.44	2.76	-44.45
CC1CN(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648218	0	36	-1.0	-49.82	292.86	-0.28	-50.10
CC1CN(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648218	1	36	-1.0	-49.84	292.92	-0.27	-50.11
CN1C=NC2=CN=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C21	REAL250004648219	0	32	-1.0	-48.49	275.37	1.84	-46.65
CN1C=NC2=CN=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C21	REAL250004648219	1	32	-1.0	-48.55	275.46	1.84	-46.71
O=C(C=CCN1C=NC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648221	0	30	-1.0	-52.79	277.93	3.38	-49.41
O=C(C=CCN1C=NC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648221	1	30	-1.0	-52.80	277.86	3.37	-49.43
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004648222	0	31	-1.0	-55.70	276.82	2.14	-53.56
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004648222	1	31	-1.0	-55.72	276.92	2.14	-53.58
O=C(CCC1=NN=C(C2CC2)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648223	0	35	-1.0	-47.27	312.48	-1.31	-48.58
O=C(CCC1=NN=C(C2CC2)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004648223	1	35	-1.0	-47.29	312.54	-1.31	-48.60
CC(=O)NC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004648224	0	33	-1.0	-51.27	294.63	1.23	-50.04
CC(=O)NC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004648224	1	33	-1.0	-51.29	294.56	1.21	-50.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C2C(F)=CC=CN21	REAL250004648225	0	30	-1.0	-49.48	276.86	3.07	-46.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C2C(F)=CC=CN21	REAL250004648225	1	30	-1.0	-49.50	276.77	3.08	-46.42
O=C(C=CC=C(Cl)Cl)NC1(C2=N[N-]N=N2)CC1	REAL250004648226	0	25	-1.0	-46.14	264.28	2.58	-43.56
O=C(C=CC=C(Cl)Cl)NC1(C2=NN=N[N-]2)CC1	REAL250004648226	1	25	-1.0	-46.15	264.35	2.59	-43.56
CC1=C(CO)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648227	0	31	-1.0	-54.05	281.17	-1.28	-55.33
CC1=C(CO)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648227	1	31	-1.0	-54.02	281.27	-1.29	-55.31
CN1CCCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004648228	0	37	-1.0	-50.87	299.61	1.60	-49.27
CN1CCCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004648228	1	37	-1.0	-50.92	299.70	1.59	-49.33
CN1C=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004648230	0	29	-1.0	-57.50	265.62	1.08	-56.42
CN1C=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004648230	1	29	-1.0	-57.45	265.53	1.08	-56.37
O=C(CC=CCC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648231	0	37	-1.0	-49.35	323.45	5.51	-43.84
O=C(CC=CCC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648231	1	37	-1.0	-49.36	323.53	5.51	-43.85
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC(C2=CN=CC=N2)=NO1	REAL250004648232	0	30	-1.0	-50.89	287.98	-2.69	-53.58
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC(C2=CN=CC=N2)=NO1	REAL250004648232	1	30	-1.0	-50.91	288.07	-2.69	-53.60
CN1CCOC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004648233	0	32	-1.0	-57.32	275.48	-0.15	-57.47
CN1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004648233	1	32	-1.0	-57.32	275.54	-0.13	-57.45
O=C(CC1CCCS1(=O)=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648234	0	33	-1.0	-70.53	288.49	-0.90	-71.43
O=C(CC1CCCS1(=O)=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648234	1	33	-1.0	-70.56	288.58	-0.90	-71.46
CC1=CC=C(C(=O)C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648235	0	36	-1.0	-46.18	321.39	4.39	-41.79
CC1=CC=C(C(=O)C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648235	1	36	-1.0	-46.17	321.46	4.39	-41.78
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2NC=NC2=C1F	REAL250004648236	0	30	-1.0	-65.01	273.20	2.22	-62.79
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2NC=NC2=C1F	REAL250004648236	1	30	-1.0	-64.99	273.28	2.22	-62.77
CC1=NN=C(CCC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648238	0	31	-1.0	-47.53	281.07	-2.96	-50.49
CC1=NN=C(CCC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648238	1	31	-1.0	-47.56	281.14	-2.96	-50.52
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN=C(C2CC2)O1	REAL250004648239	0	29	-1.0	-47.69	270.26	-2.74	-50.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN=C(C2CC2)O1	REAL250004648239	1	29	-1.0	-47.71	270.35	-2.74	-50.45
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CN2N=NN=C12	REAL250004648240	0	28	-1.0	-53.58	259.07	0.95	-52.63
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CN2N=NN=C12	REAL250004648240	1	28	-1.0	-53.59	258.97	0.95	-52.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CNC1=O	REAL250004648241	0	27	-1.0	-57.90	249.03	-0.07	-57.97
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CNC1=O	REAL250004648241	1	27	-1.0	-57.87	249.10	-0.08	-57.95
C#CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648242	0	29	-1.0	-48.22	270.33	3.83	-44.39
C#CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648242	1	29	-1.0	-48.25	270.40	3.82	-44.43
O=CC1=CC=C(F)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648243	0	29	-1.0	-58.71	270.81	2.31	-56.40
O=CC1=CC=C(F)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648243	1	29	-1.0	-58.68	270.90	2.31	-56.37
O=CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648244	0	32	-1.0	-49.05	290.85	3.04	-46.01
O=CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648244	1	32	-1.0	-49.05	290.92	3.04	-46.01
O=CC1=CNC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C12	REAL250004648245	0	33	-1.0	-57.30	296.45	2.44	-54.86
O=CC1=CNC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C12	REAL250004648245	1	33	-1.0	-57.27	296.38	2.45	-54.82
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL250004648246	0	34	-1.0	-49.70	301.10	-2.62	-52.32
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL250004648246	1	34	-1.0	-49.70	301.01	-2.61	-52.31
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CN=CC=N1	REAL250004648247	0	31	-1.0	-51.39	272.91	0.03	-51.36
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CN=CC=N1	REAL250004648247	1	31	-1.0	-51.41	272.97	0.04	-51.37
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2SC=CC2=C1	REAL250004648248	0	29	-1.0	-47.00	274.55	2.12	-44.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2SC=CC2=C1	REAL250004648248	1	29	-1.0	-46.95	274.47	2.10	-44.85
O=C(CC(F)(F)C(F)(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004648249	0	26	-1.0	-48.12	257.79	1.62	-46.50
O=C(CC(F)(F)C(F)(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004648249	1	26	-1.0	-48.17	257.87	1.62	-46.55
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C(F)(F)F)=N1	REAL250004648250	0	26	-1.0	-44.10	263.28	-1.75	-45.85
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C(F)(F)F)=N1	REAL250004648250	1	26	-1.0	-44.08	263.22	-1.78	-45.86
COC1=CC=C(C=O)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648251	0	33	-1.0	-59.04	293.48	2.80	-56.24
COC1=CC=C(C=O)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648251	1	33	-1.0	-59.07	293.57	2.79	-56.28
O=CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004648252	0	29	-1.0	-47.58	270.90	2.44	-45.14
O=CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004648252	1	29	-1.0	-47.60	270.97	2.43	-45.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CSN=C1Cl	REAL250004648253	0	23	-1.0	-50.13	242.28	0.57	-49.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CSN=C1Cl	REAL250004648253	1	23	-1.0	-50.09	242.19	0.58	-49.51
CS(=O)(=O)N1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648254	0	32	-1.0	-51.12	293.39	-2.39	-53.51
CS(=O)(=O)N1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648254	1	32	-1.0	-51.17	293.46	-2.38	-53.55
O=C(CCOC1COC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648255	0	32	-1.0	-45.21	280.89	-1.06	-46.27
O=C(CCOC1COC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648255	1	32	-1.0	-45.20	280.96	-1.05	-46.25
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CSC=C1Cl	REAL250004648256	0	24	-1.0	-51.43	248.09	1.96	-49.47
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CSC=C1Cl	REAL250004648256	1	24	-1.0	-51.44	248.17	1.95	-49.49
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004648257	0	38	-1.0	-48.09	312.67	2.58	-45.51
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004648257	1	38	-1.0	-48.06	312.73	2.59	-45.47
CCC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004648258	0	41	-1.0	-46.00	305.82	3.61	-42.39
CCC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004648258	1	41	-1.0	-46.09	305.89	3.62	-42.47
CCC1=CC=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648259	0	33	-1.0	-47.02	283.56	4.00	-43.02
CCC1=CC=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648259	1	33	-1.0	-47.07	283.63	4.00	-43.07
COCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CS1	REAL250004648260	0	31	-1.0	-52.08	284.91	1.26	-50.82
COCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CS1	REAL250004648260	1	31	-1.0	-52.05	285.00	1.25	-50.80
CN1C=CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C21	REAL250004648261	0	34	-1.0	-50.30	295.83	4.40	-45.90
CN1C=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C21	REAL250004648261	1	34	-1.0	-50.31	295.77	4.38	-45.93
COC(=O)C1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648262	0	33	-1.0	-52.98	297.51	1.01	-51.97
COC(=O)C1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648262	1	33	-1.0	-52.93	297.43	1.02	-51.91
COC(=O)[C@@H]1O[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C[C@H]1C	REAL250004648263	0	37	-1.0	-56.70	320.08	2.79	-53.91
COC(=O)[C@@H]1O[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C[C@H]1C	REAL250004648263	1	37	-1.0	-56.72	320.15	2.79	-53.93
O=C(C=CC1=CC=C(Cl)S1)NC1(C2=N[N-]N=N2)CC1	REAL250004648264	0	28	-1.0	-45.71	284.93	3.56	-42.15
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O=C(NC1(C2=N[N-]N=N2)CC1)C1CNC(=O)C2=CC=CC=C21	REAL250004648265	0	35	-1.0	-54.59	302.85	0.86	-53.73
O=C(NC1(C2=NN=N[N-]2)CC1)C1CNC(=O)C2=CC=CC=C21	REAL250004648265	1	35	-1.0	-54.59	302.94	0.86	-53.73
O=C(CC1CCC(F)(F)CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648266	0	36	-1.0	-47.18	298.54	3.72	-43.46
O=C(CC1CCC(F)(F)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648266	1	36	-1.0	-47.13	298.60	3.72	-43.41
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648267	0	37	-1.0	-49.04	316.94	5.20	-43.84
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648267	1	37	-1.0	-49.03	317.03	5.20	-43.83
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C#CCO)=C1	REAL250004648270	1	33	-1.0	-52.01	302.64	1.45	-50.56
O=C(CN1CCOC1=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648271	0	29	-1.0	-51.57	262.84	0.10	-51.47
O=C(CN1CCOC1=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648271	1	29	-1.0	-51.58	262.91	0.10	-51.48
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O=C(CCCN1C=NC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648272	1	32	-1.0	-54.64	286.21	3.53	-51.11
CC1=C(C=O)C(C)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004648273	0	33	-1.0	-49.48	289.11	1.28	-48.20
CC1=C(C=O)C(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004648273	1	33	-1.0	-49.52	289.20	1.27	-48.25
O=C(CN1CCNC(=O)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648274	0	33	-1.0	-56.90	279.74	-3.29	-60.19
O=C(CN1CCNC(=O)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648274	1	33	-1.0	-56.94	279.81	-3.28	-60.22
CCCC=CC(O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648275	0	34	-1.0	-45.95	293.13	1.30	-44.65
CCCC=CC(O)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648275	1	34	-1.0	-45.96	293.19	1.31	-44.65
COC1=CC(CO)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648276	0	35	-1.0	-56.07	303.15	0.37	-55.70
COC1=CC(CO)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648276	1	35	-1.0	-56.11	303.24	0.37	-55.74
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(Cl)=NN1	REAL250004648277	0	27	-1.0	-50.80	265.40	-0.02	-50.82
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(Cl)=NN1	REAL250004648277	1	27	-1.0	-50.79	265.47	-0.02	-50.81
CC1CCC2=NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN2C1	REAL250004648278	0	37	-1.0	-52.46	311.16	3.26	-49.20
CC1CCC2=NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN2C1	REAL250004648278	1	37	-1.0	-52.42	311.25	3.24	-49.18
CC1=NC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648279	0	30	-1.0	-47.33	284.75	1.82	-45.51
CC1=NC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648279	1	30	-1.0	-47.39	284.81	1.83	-45.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC2=CC=NN21	REAL250004648280	0	29	-1.0	-49.48	263.42	1.72	-47.76
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC2=CC=NN21	REAL250004648280	1	29	-1.0	-49.49	263.34	1.73	-47.76
NC(=O)C1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648281	0	33	-1.0	-51.28	299.44	-1.63	-52.91
NC(=O)C1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648281	1	33	-1.0	-51.29	299.38	-1.64	-52.93
O=CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648282	0	26	-1.0	-51.42	259.74	1.34	-50.08
O=CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648282	1	26	-1.0	-51.45	259.82	1.36	-50.09
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CN=C1Cl	REAL250004648284	0	25	-1.0	-51.41	247.79	-0.63	-52.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CN=C1Cl	REAL250004648284	1	25	-1.0	-51.40	247.70	-0.62	-52.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=CC=NN2C=C1	REAL250004648285	0	29	-1.0	-47.76	267.73	1.47	-46.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=CC=NN2C=C1	REAL250004648285	1	29	-1.0	-47.74	267.64	1.48	-46.26
CN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N(C)C1=O	REAL250004648286	0	31	-1.0	-54.24	275.20	1.25	-52.99
CN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N(C)C1=O	REAL250004648286	1	31	-1.0	-54.25	275.28	1.24	-53.01
O=CC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648287	0	33	-1.0	-52.74	300.94	3.53	-49.21
O=CC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648287	1	33	-1.0	-52.74	301.02	3.53	-49.21
O=CC1=CC(F)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL250004648288	0	29	-1.0	-51.72	276.27	2.36	-49.36
O=CC1=CC(F)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL250004648288	1	29	-1.0	-51.73	276.35	2.35	-49.38
CC1CCN2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N=C2C1	REAL250004648289	0	37	-1.0	-52.80	310.78	3.24	-49.56
CC1CCN2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N=C2C1	REAL250004648289	1	37	-1.0	-52.85	310.85	3.26	-49.59
O=C(CC1=CC=CC2=CN=CC=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004648295	0	35	-1.0	-49.18	304.94	3.67	-45.51
O=C(CC1=CC=CC2=CN=CC=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004648295	1	35	-1.0	-49.18	305.01	3.68	-45.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2CCOCC2=N1	REAL250004648296	0	32	-1.0	-53.30	280.90	0.28	-53.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2CCOCC2=N1	REAL250004648296	1	32	-1.0	-53.32	280.97	0.30	-53.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC(C2CC2)=CS1	REAL250004648297	0	30	-1.0	-54.13	280.71	1.60	-52.53
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC(C2CC2)=CS1	REAL250004648297	1	30	-1.0	-54.14	280.78	1.63	-52.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004648298	0	39	-1.0	-52.24	330.80	4.64	-47.60
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004648298	1	39	-1.0	-52.30	330.89	4.63	-47.67
CC(=O)N1CCC[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648299	0	34	-1.0	-55.18	285.60	2.25	-52.93
CC(=O)N1CCC[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648299	1	34	-1.0	-55.22	285.67	2.25	-52.97
CN(C)C(=O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648300	0	33	-1.0	-47.34	285.25	0.59	-46.75
CN(C)C(=O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648300	1	33	-1.0	-47.36	285.33	0.59	-46.77
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004648301	0	31	-1.0	-47.07	279.85	2.92	-44.15
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004648301	1	31	-1.0	-47.10	279.91	2.93	-44.17
NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648302	0	32	-1.0	-67.74	281.64	-1.57	-69.31
NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648302	1	32	-1.0	-67.75	281.72	-1.57	-69.32
O=C(CC1=CC2=CC=NC=C2C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648303	0	35	-1.0	-48.89	308.58	3.79	-45.10
O=C(CC1=CC2=CC=NC=C2C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648303	1	35	-1.0	-48.91	308.64	3.79	-45.12
N#CC1=CC=C(COCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648304	0	35	-1.0	-51.99	322.90	4.09	-47.90
N#CC1=CC=C(COCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648304	1	35	-1.0	-51.99	322.97	4.10	-47.89
O=C(COCC1=CC(=O)NC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648305	0	34	-1.0	-68.06	304.60	0.71	-67.35
O=C(COCC1=CC(=O)NC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648305	1	34	-1.0	-68.09	304.67	0.71	-67.38
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CC2)C=N1	REAL250004648306	0	31	-1.0	-52.20	277.98	3.11	-49.09
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2CC2)C=N1	REAL250004648306	1	31	-1.0	-52.20	277.89	3.11	-49.09
CCC(NC(C)=O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648307	0	33	-1.0	-46.54	279.25	-0.53	-47.07
CCC(NC(C)=O)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648307	1	33	-1.0	-46.57	279.32	-0.52	-47.09
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1F	REAL250004648308	0	30	-1.0	-56.66	274.15	3.29	-53.37
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1F	REAL250004648308	1	30	-1.0	-56.63	274.24	3.28	-53.35
CNC1=NC(C)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648309	0	34	-1.0	-50.22	291.42	1.64	-48.58
CNC1=NC(C)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648309	1	34	-1.0	-50.25	291.51	1.63	-48.62
CC1=CN2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N=C2C=C1	REAL250004648310	0	33	-1.0	-53.24	294.95	3.63	-49.61
CC1=CN2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N=C2C=C1	REAL250004648310	1	33	-1.0	-53.22	294.86	3.63	-49.59
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NC=CC=C2S1	REAL250004648311	0	29	-1.0	-52.89	277.12	2.03	-50.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NC=CC=C2S1	REAL250004648311	1	29	-1.0	-52.91	277.03	2.04	-50.87
CN1C(=O)OCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648312	0	29	-1.0	-56.51	259.88	-0.57	-57.08
CN1C(=O)OCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648312	1	29	-1.0	-56.48	259.97	-0.56	-57.04
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C2C=CC=CN21	REAL250004648313	0	30	-1.0	-54.19	270.44	3.01	-51.18
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C2C=CC=CN21	REAL250004648313	1	30	-1.0	-54.19	270.35	3.02	-51.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1CC1CCC1	REAL250004648314	0	37	-1.0	-48.45	308.90	3.26	-45.19
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1CC1CCC1	REAL250004648314	1	37	-1.0	-48.46	308.82	3.26	-45.20
CC1=CC(C)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648315	0	30	-1.0	-48.75	273.89	2.98	-45.77
CC1=CC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648315	1	30	-1.0	-48.72	273.98	2.97	-45.75
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)F)=C1F	REAL250004648317	1	30	-1.0	-62.78	280.66	3.47	-59.31
CC1(Br)CC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648318	0	27	-1.0	-44.19	255.42	2.41	-41.78
CC1(Br)CC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648318	1	27	-1.0	-44.19	255.49	2.43	-41.76
O=C(CCC1=NN=C(C(F)F)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648319	0	31	-1.0	-47.61	294.14	-2.69	-50.30
O=C(CCC1=NN=C(C(F)F)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004648319	1	31	-1.0	-47.65	294.21	-2.69	-50.34
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL250004648320	0	33	-1.0	-55.42	294.62	2.47	-52.95
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL250004648320	1	33	-1.0	-55.42	294.53	2.47	-52.95
CC1OC(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)C1C	REAL250004648321	0	37	-1.0	-51.03	290.71	1.46	-49.57
CC1OC(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)C1C	REAL250004648321	1	37	-1.0	-51.02	290.78	1.47	-49.55
CN1C(=O)CN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004648322	0	32	-1.0	-58.23	290.35	0.27	-57.96
CN1C(=O)CN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004648322	1	32	-1.0	-58.26	290.41	0.27	-57.99
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C(F)F)=C1	REAL250004648323	1	27	-1.0	-50.45	260.61	1.73	-48.72
CSCCCCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648324	0	39	-1.0	-47.79	338.60	4.66	-43.13
CSCCCCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648324	1	39	-1.0	-47.83	338.67	4.67	-43.16
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CSC=C1	REAL250004648325	0	31	-1.0	-45.77	286.23	3.61	-42.16
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CC(=C(F)C(=O)NC1(C2=NN=N[N-]2)CC1)C1CC1	REAL250004648330	1	31	-1.0	-41.80	267.65	3.13	-38.67
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COC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648334	0	33	-1.0	-50.21	280.69	0.75	-49.46
COC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648334	1	33	-1.0	-50.24	280.76	0.73	-49.51
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CC1=CC(C)=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004648337	0	40	-1.0	-47.81	333.38	5.54	-42.27
CC1=CC(C)=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004648337	1	40	-1.0	-47.81	333.45	5.54	-42.27
O=C(C=CC1=CC=C2NC=CC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648338	0	35	-1.0	-51.23	308.81	3.86	-47.37
O=C(C=CC1=CC=C2NC=CC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648338	1	35	-1.0	-51.21	308.88	3.86	-47.35
COCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648339	0	34	-1.0	-47.01	302.40	0.31	-46.70
COCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648339	1	34	-1.0	-47.02	302.33	0.30	-46.72
COCCN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648340	0	37	-1.0	-48.76	319.93	0.69	-48.07
COCCN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648340	1	37	-1.0	-48.78	320.02	0.68	-48.10
CC(=O)N1CCC[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648341	0	34	-1.0	-62.05	287.95	1.04	-61.01
CC(=O)N1CCC[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648341	1	34	-1.0	-62.14	288.02	1.05	-61.09
CC1(C)[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CC=C1	REAL250004648342	0	40	-1.0	-48.50	328.48	5.60	-42.90
CC1(C)[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CC=C1	REAL250004648342	1	40	-1.0	-48.55	328.54	5.59	-42.96
COC1=CC(C)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648343	0	37	-1.0	-52.46	308.55	3.24	-49.22
COC1=CC(C)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648343	1	37	-1.0	-52.40	308.60	3.24	-49.16
O=C(CC1(C2=CC=CC=C2)CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648344	0	37	-1.0	-50.55	306.83	5.31	-45.24
O=C(CC1(C2=CC=CC=C2)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648344	1	37	-1.0	-50.56	306.90	5.31	-45.25
CCC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NC2=CC=C1	REAL250004648345	0	37	-1.0	-50.07	319.32	3.84	-46.23
CCC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NC2=CC=C1	REAL250004648345	1	37	-1.0	-50.08	319.23	3.84	-46.24
COC1=CC=CN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648346	0	30	-1.0	-55.56	267.83	1.35	-54.21
COC1=CC=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648346	1	30	-1.0	-55.58	267.74	1.36	-54.22
CC1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)O1	REAL250004648347	0	34	-1.0	-48.32	279.25	1.19	-47.13
CC1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)O1	REAL250004648347	1	34	-1.0	-48.32	279.32	1.22	-47.10
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CC1C1CC12	REAL250004648348	0	35	-1.0	-46.00	271.10	3.43	-42.57
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CC1C1CC12	REAL250004648348	1	35	-1.0	-46.02	271.16	3.43	-42.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2=CC=C(Cl)C=C21	REAL250004648349	0	31	-1.0	-45.68	289.41	4.25	-41.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2=CC=C(Cl)C=C21	REAL250004648349	1	31	-1.0	-45.69	289.50	4.25	-41.44
CCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004648350	0	33	-1.0	-53.00	287.69	1.73	-51.27
CCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004648350	1	33	-1.0	-53.01	287.78	1.72	-51.29
N#CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648351	0	30	-1.0	-51.17	283.03	1.84	-49.33
N#CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648351	1	30	-1.0	-51.17	282.96	1.83	-49.34
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NC=CC=C2C=C1	REAL250004648352	0	32	-1.0	-53.68	283.24	3.03	-50.65
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NC=CC=C2C=C1	REAL250004648352	1	32	-1.0	-53.61	283.17	3.02	-50.59
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=CC(C(F)F)=C1	REAL250004648353	0	29	-1.0	-46.51	270.50	1.69	-44.82
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=CC(C(F)F)=C1	REAL250004648353	1	29	-1.0	-46.52	270.43	1.69	-44.83
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(NC2CC2)S1	REAL250004648354	0	32	-1.0	-49.64	299.47	1.46	-48.18
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(NC2CC2)S1	REAL250004648354	1	32	-1.0	-49.64	299.38	1.45	-48.19
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2N=CC=CN2C=N1	REAL250004648355	0	29	-1.0	-66.36	268.12	2.95	-63.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2N=CC=CN2C=N1	REAL250004648355	1	29	-1.0	-66.37	268.03	2.95	-63.42
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C#N)C=C1	REAL250004648356	0	34	-1.0	-46.41	304.10	4.24	-42.17
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C#N)C=C1	REAL250004648356	1	34	-1.0	-46.46	304.17	4.24	-42.22
CCOC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCOC1	REAL250004648357	0	38	-1.0	-52.23	315.27	1.37	-50.86
CCOC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCOC1	REAL250004648357	1	38	-1.0	-52.29	315.35	1.39	-50.90
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C(C)(C)C	REAL250004648358	0	41	-1.0	-46.99	303.03	3.49	-43.50
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C(C)(C)C	REAL250004648358	1	41	-1.0	-47.01	303.10	3.49	-43.52
CC(C)(C)CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648359	0	42	-1.0	-48.29	339.65	5.66	-42.63
CC(C)(C)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648359	1	42	-1.0	-48.28	339.72	5.65	-42.63
CCOC1COCCC1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648360	0	41	-1.0	-46.38	330.92	1.45	-44.93
CCOC1COCCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648360	1	41	-1.0	-46.38	331.01	1.44	-44.94
O=C(C=CCCC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648361	0	37	-1.0	-47.10	323.63	5.51	-41.59
O=C(C=CCCC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648361	1	37	-1.0	-47.10	323.70	5.51	-41.59
O=C(C=CCOC1CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648362	0	39	-1.0	-49.04	329.44	1.24	-47.80
O=C(C=CCOC1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648362	1	39	-1.0	-49.01	329.51	1.24	-47.77
O=C(C=CC1=CC=C(Cl)N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648363	0	30	-1.0	-46.86	289.23	2.48	-44.38
O=C(C=CC1=CC=C(Cl)N=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648363	1	30	-1.0	-46.91	289.30	2.48	-44.43
CC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(C(F)F)=C1	REAL250004648364	0	33	-1.0	-46.77	300.04	1.95	-44.82
CC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(C(F)F)=C1	REAL250004648364	1	33	-1.0	-46.79	300.11	1.96	-44.83
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648365	0	39	-1.0	-53.15	326.94	3.79	-49.36
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648365	1	39	-1.0	-53.11	327.01	3.79	-49.32
COC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004648366	0	30	-1.0	-52.91	274.00	0.14	-52.77
COC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004648366	1	30	-1.0	-52.90	273.93	0.11	-52.79
CC1=NN(CC(C)C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648367	0	36	-1.0	-44.45	310.11	2.67	-41.78
CC1=NN(CC(C)C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648367	1	36	-1.0	-44.52	310.19	2.69	-41.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CN(C2CC2)C1=O	REAL250004648368	0	34	-1.0	-61.93	291.68	2.79	-59.14
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CN(C2CC2)C1=O	REAL250004648368	1	34	-1.0	-61.92	291.75	2.81	-59.11
O=C(CN1CCCCC(=O)C1=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648369	0	36	-1.0	-56.66	304.56	1.49	-55.17
O=C(CN1CCCCC(=O)C1=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648369	1	36	-1.0	-56.63	304.63	1.49	-55.14
CC1=CN=C(F)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648370	0	29	-1.0	-56.20	263.76	1.34	-54.86
CC1=CN=C(F)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648370	1	29	-1.0	-56.20	263.69	1.32	-54.88
CC1=CC(F)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648371	0	29	-1.0	-46.36	259.36	1.19	-45.17
CC1=CC(F)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648371	1	29	-1.0	-46.39	259.42	1.21	-45.18
O=C(CC1=NC(F)=C(F)C=C1F)NC1(C2=N[N-]N=N2)CC1	REAL250004648372	0	29	-1.0	-45.87	280.63	1.46	-44.41
O=C(CC1=NC(F)=C(F)C=C1F)NC1(C2=NN=N[N-]2)CC1	REAL250004648372	1	29	-1.0	-45.85	280.69	1.46	-44.39
COC1=NSC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648373	0	27	-1.0	-53.25	259.61	-0.63	-53.88
COC1=NSC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648373	1	27	-1.0	-53.22	259.52	-0.63	-53.85
C=CC(=O)NC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648374	0	35	-1.0	-61.97	310.62	2.05	-59.92
C=CC(=O)NC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648374	1	35	-1.0	-61.94	310.69	2.07	-59.87
O=C(C=CC1=CC=CC(O)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648375	0	32	-1.0	-48.84	288.51	0.96	-47.88
O=C(C=CC1=CC=CC(O)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648375	1	32	-1.0	-48.85	288.58	0.97	-47.88
CCOC1CC2(CC2C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648376	0	38	-1.0	-52.11	320.33	2.84	-49.27
CCOC1CC2(CC2C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648376	1	38	-1.0	-52.10	320.39	2.87	-49.23
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648377	0	38	-1.0	-61.81	323.76	-0.69	-62.50
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648377	1	38	-1.0	-61.80	323.83	-0.69	-62.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C(F)F)N=C1	REAL250004648378	0	27	-1.0	-47.46	260.65	0.53	-46.93
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C(F)F)N=C1	REAL250004648378	1	27	-1.0	-47.47	260.58	0.52	-46.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(C(F)(F)F)=NC=N1	REAL250004648379	0	28	-1.0	-44.83	275.63	1.69	-43.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(C(F)(F)F)=NC=N1	REAL250004648379	1	28	-1.0	-44.74	275.57	1.67	-43.07
CCCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648380	0	33	-1.0	-48.83	299.88	3.87	-44.96
CCCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648380	1	33	-1.0	-48.79	299.96	3.87	-44.92
CCOCCCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648381	0	39	-1.0	-49.39	327.89	2.68	-46.71
CCOCCCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648381	1	39	-1.0	-49.43	327.97	2.69	-46.74
O=C(CCCOC1CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648382	0	41	-1.0	-51.44	337.99	1.40	-50.04
O=C(CCCOC1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648382	1	41	-1.0	-51.47	338.07	1.40	-50.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C2CCCCN21	REAL250004648383	0	34	-1.0	-50.23	287.24	2.58	-47.65
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C2CCCCN21	REAL250004648383	1	34	-1.0	-50.23	287.15	2.59	-47.64
CCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C2CC2)=N1	REAL250004648384	0	37	-1.0	-54.26	319.21	3.29	-50.97
CCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C2CC2)=N1	REAL250004648384	1	37	-1.0	-54.26	319.30	3.28	-50.98
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL250004648385	0	39	-1.0	-47.35	328.31	3.02	-44.33
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL250004648385	1	39	-1.0	-47.34	328.38	3.01	-44.33
COCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL250004648386	0	34	-1.0	-44.77	300.84	2.57	-42.20
COCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL250004648386	1	34	-1.0	-44.81	300.90	2.58	-42.23
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004648387	0	34	-1.0	-47.61	300.55	4.74	-42.87
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004648387	1	34	-1.0	-47.60	300.48	4.72	-42.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC12CCOCC2	REAL250004648388	0	38	-1.0	-47.41	287.92	2.01	-45.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC12CCOCC2	REAL250004648388	1	38	-1.0	-47.43	288.00	2.02	-45.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C=CN=C2N=C1	REAL250004648389	0	29	-1.0	-48.35	264.14	3.78	-44.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2C=CN=C2N=C1	REAL250004648389	1	29	-1.0	-48.30	264.05	3.76	-44.54
CCOC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL250004648390	0	41	-1.0	-50.02	333.46	2.31	-47.71
CCOC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL250004648390	1	41	-1.0	-50.01	333.53	2.32	-47.69
CCOC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004648391	0	40	-1.0	-49.49	315.60	3.95	-45.54
CCOC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004648391	1	40	-1.0	-49.56	315.80	3.96	-45.60
CC1(C)CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2O1	REAL250004648392	0	38	-1.0	-52.37	320.42	3.87	-48.50
CC1(C)CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2O1	REAL250004648392	1	38	-1.0	-52.39	320.48	3.86	-48.53
CCN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648393	0	33	-1.0	-49.82	285.42	1.61	-48.21
CCN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648393	1	33	-1.0	-49.85	285.51	1.61	-48.24
CN1CCCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648395	0	35	-1.0	-46.35	282.13	0.43	-45.92
CN1CCCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648395	1	35	-1.0	-46.38	282.20	0.43	-45.95
CSC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1	REAL250004648396	0	30	-1.0	-54.61	281.59	-0.15	-54.76
CSC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1	REAL250004648396	1	30	-1.0	-54.61	281.65	-0.14	-54.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1(Cl)CC2CCC1O2	REAL250004648397	0	32	-1.0	-48.63	277.68	0.97	-47.66
O=C(NC1(C2=NN=N[N-]2)CC1)C1(Cl)CC2CCC1O2	REAL250004648397	1	32	-1.0	-48.65	277.78	0.97	-47.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(CSC2)C1	REAL250004648399	0	32	-1.0	-49.28	283.01	2.95	-46.33
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(CSC2)C1	REAL250004648399	1	32	-1.0	-49.31	283.10	2.94	-46.37
COC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1O	REAL250004648400	0	35	-1.0	-50.25	307.84	0.45	-49.80
COC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1O	REAL250004648400	1	35	-1.0	-50.21	307.90	0.45	-49.76
CC(C)(C)C1=CSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648401	0	35	-1.0	-54.11	310.64	2.15	-51.96
CC(C)(C)C1=CSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648401	1	35	-1.0	-54.08	310.58	2.12	-51.96
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CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)NC(=O)N1	REAL250004648403	0	33	-1.0	-49.84	294.09	-1.98	-51.82
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)NC(=O)N1	REAL250004648403	1	33	-1.0	-49.87	294.16	-1.98	-51.85
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2N=CNC2=NC=N1	REAL250004648404	1	28	-1.0	-57.56	260.20	1.36	-56.20
C=CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004648405	0	34	-1.0	-46.20	298.20	4.41	-41.79
C=CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004648405	1	34	-1.0	-46.22	298.27	4.41	-41.81
CCC(O)CN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004648406	0	36	-1.0	-51.88	317.47	-1.93	-53.81
CCC(O)CN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004648406	1	36	-1.0	-51.89	317.39	-1.92	-53.81
O=C(CC1=NC(C2CC2)=CS1)NC1(C2=N[N-]N=N2)CC1	REAL250004648407	0	33	-1.0	-48.00	302.78	2.48	-45.52
O=C(CC1=NC(C2CC2)=CS1)NC1(C2=NN=N[N-]2)CC1	REAL250004648407	1	33	-1.0	-48.02	302.86	2.50	-45.52
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCN2N=CN=C12	REAL250004648408	0	33	-1.0	-47.30	281.20	2.73	-44.57
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCN2N=CN=C12	REAL250004648408	1	33	-1.0	-47.30	281.27	2.72	-44.58
CCCCCCC(O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648409	0	45	-1.0	-46.17	367.94	2.52	-43.65
CCCCCCC(O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648409	1	45	-1.0	-46.20	368.01	2.52	-43.68
CN(C)C(=O)C=CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648410	0	31	-1.0	-46.75	276.00	0.39	-46.36
CN(C)C(=O)C=CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648410	1	31	-1.0	-46.72	276.07	0.40	-46.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CN2N=CN=C12	REAL250004648411	0	29	-1.0	-53.13	264.22	3.49	-49.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CN2N=CN=C12	REAL250004648411	1	29	-1.0	-53.13	264.13	3.50	-49.63
CC1CCC2=NNC=C2C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648412	0	37	-1.0	-46.77	299.20	2.06	-44.71
CC1CCC2=NNC=C2C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648412	1	37	-1.0	-46.78	299.27	2.07	-44.71
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004648413	0	35	-1.0	-53.80	283.19	2.26	-51.54
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004648413	1	35	-1.0	-53.76	283.28	2.25	-51.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(CC2CC2)S1	REAL250004648414	0	33	-1.0	-48.31	304.47	2.70	-45.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(CC2CC2)S1	REAL250004648414	1	33	-1.0	-48.28	304.56	2.69	-45.59
CSC1=NC=CN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648415	0	29	-1.0	-51.37	273.59	0.16	-51.21
CSC1=NC=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648415	1	29	-1.0	-51.31	273.50	0.17	-51.14
CNC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004648416	0	31	-1.0	-51.67	275.27	-0.43	-52.10
CNC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004648416	1	31	-1.0	-51.65	275.18	-0.42	-52.07
O=C(CCCC(=O)C1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648417	0	38	-1.0	-58.68	331.01	4.71	-53.97
O=C(CCCC(=O)C1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648417	1	38	-1.0	-58.75	331.09	4.71	-54.04
CN1CCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004648418	0	34	-1.0	-60.49	288.63	2.09	-58.40
CN1CCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004648418	1	34	-1.0	-60.47	288.71	2.09	-58.38
CC1=CC(C)=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648419	0	33	-1.0	-46.58	298.84	3.81	-42.77
CC1=CC(C)=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648419	1	33	-1.0	-46.61	298.91	3.81	-42.80
O=C(CC1=CC=C(F)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648420	0	29	-1.0	-53.81	266.99	1.77	-52.04
O=C(CC1=CC=C(F)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648420	1	29	-1.0	-53.84	267.07	1.79	-52.05
CC1=CN=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648421	0	29	-1.0	-52.55	271.86	1.82	-50.73
CC1=CN=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648421	1	29	-1.0	-52.54	271.80	1.80	-50.74
O=C(C=CC1=CC=CC=C1F)NC1(C2=N[N-]N=N2)CC1	REAL250004648422	0	31	-1.0	-50.97	283.00	3.86	-47.11
O=C(C=CC1=CC=CC=C1F)NC1(C2=NN=N[N-]2)CC1	REAL250004648422	1	31	-1.0	-50.94	283.07	3.86	-47.08
O=C(C=CC1=CC=C2OCOC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648423	0	34	-1.0	-49.22	303.52	2.50	-46.72
O=C(C=CC1=CC=C2OCOC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648423	1	34	-1.0	-49.23	303.59	2.50	-46.73
O=C(C=CC1=CC=C(F)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648424	0	31	-1.0	-47.43	284.20	3.87	-43.56
O=C(C=CC1=CC=C(F)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648424	1	31	-1.0	-47.44	284.27	3.88	-43.56
COC(=O)C1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648425	0	33	-1.0	-60.12	303.47	1.42	-58.70
COC(=O)C1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648425	1	33	-1.0	-60.11	303.40	1.41	-58.70
NC1=CC(Cl)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648426	0	29	-1.0	-45.82	268.99	1.22	-44.60
NC1=CC(Cl)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648426	1	29	-1.0	-45.88	269.08	1.21	-44.67
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648427	0	31	-1.0	-45.53	280.42	1.37	-44.16
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648427	1	31	-1.0	-45.57	280.51	1.36	-44.21
NC1=CC(F)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648428	0	29	-1.0	-45.93	258.68	0.77	-45.16
NC1=CC(F)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648428	1	29	-1.0	-45.95	258.77	0.76	-45.19
[N-]=[N+]=NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648429	0	29	-1.0	-45.16	271.24	0.43	-44.73
[N-]=[N+]=NC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648429	1	29	-1.0	-45.20	271.31	0.42	-44.78
C=CC(=O)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648430	0	35	-1.0	-57.31	312.19	2.08	-55.23
C=CC(=O)NC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648430	1	35	-1.0	-57.32	312.25	2.07	-55.25
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CCC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648462	1	33	-1.0	-50.45	283.09	1.95	-48.50
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CC(C)(C)C1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CO1	REAL250004648464	0	35	-1.0	-47.69	305.88	-0.26	-47.95
CC(C)(C)C1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CO1	REAL250004648464	1	35	-1.0	-47.70	305.79	-0.25	-47.95
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CC1(C)COC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648467	0	40	-1.0	-45.46	325.75	2.58	-42.88
CC1(C)COC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648467	1	40	-1.0	-45.45	325.82	2.59	-42.86
CC(C)(CC(=O)NC1(C2=N[N-]N=N2)CC1)CC(F)(F)F	REAL250004648468	0	35	-1.0	-47.60	288.97	3.01	-44.59
CC(C)(CC(=O)NC1(C2=NN=N[N-]2)CC1)CC(F)(F)F	REAL250004648468	1	35	-1.0	-47.55	289.04	3.00	-44.55
CC(C)(C)C12CC(C(=O)NC3(C4=N[N-]N=N4)CC3)(C1)C2	REAL250004648469	0	40	-1.0	-49.49	328.17	4.52	-44.97
CC(C)(C)C12CC(C(=O)NC3(C4=NN=N[N-]4)CC3)(C1)C2	REAL250004648469	1	40	-1.0	-49.48	328.24	4.55	-44.93
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CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C=CC(C2CC2)=N1	REAL250004648471	0	37	-1.0	-54.99	317.81	3.30	-51.69
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C=CC(C2CC2)=N1	REAL250004648471	1	37	-1.0	-55.06	317.88	3.30	-51.76
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CC1=CC(O)=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648497	1	34	-1.0	-47.68	295.42	0.95	-46.73
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CC1(C)OC[C@H](C=CC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648500	1	36	-1.0	-50.47	311.23	1.16	-49.31
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CN1C(=O)CCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648502	0	34	-1.0	-54.57	280.18	0.77	-53.80
CN1C(=O)CCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648502	1	34	-1.0	-54.61	280.26	0.76	-53.85
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CC(C)CN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648504	0	36	-1.0	-53.06	307.19	2.70	-50.36
CC(C)CN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648504	1	36	-1.0	-53.04	307.10	2.72	-50.32
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CC1(C)COC(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648506	0	37	-1.0	-53.86	304.36	2.30	-51.56
CC1(C)COC(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648506	1	37	-1.0	-53.87	304.45	2.29	-51.58
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COC(=O)C1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004648509	0	29	-1.0	-50.51	287.64	0.28	-50.23
COC(=O)C1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004648509	1	29	-1.0	-50.49	287.55	0.29	-50.20
CC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1O	REAL250004648510	0	30	-1.0	-53.80	269.06	-0.01	-53.81
CC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1O	REAL250004648510	1	30	-1.0	-53.81	269.13	0.01	-53.80
CN(C)CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648511	0	35	-1.0	-48.61	305.35	0.25	-48.36
CN(C)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648511	1	35	-1.0	-48.63	305.44	0.24	-48.39
CCCCC(O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648515	0	39	-1.0	-46.29	324.94	0.96	-45.33
CCCCC(O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648515	1	39	-1.0	-46.28	325.01	0.96	-45.32
CCN1N=C(C2CC2)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648516	0	37	-1.0	-48.74	314.10	3.20	-45.54
CCN1N=C(C2CC2)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648516	1	37	-1.0	-48.74	314.17	3.21	-45.53
CC1=CN2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2N=C1	REAL250004648517	0	32	-1.0	-60.92	288.70	2.05	-58.87
CC1=CN2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2N=C1	REAL250004648517	1	32	-1.0	-60.91	288.61	2.07	-58.84
O=C(CC1CCC2(CCC2)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648518	0	38	-1.0	-52.48	312.36	2.70	-49.78
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O=C(NC1(C2=N[N-]N=N2)CC1)C1CCOC2(CCC2)C1	REAL250004648519	0	38	-1.0	-48.49	305.00	2.23	-46.26
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCOC2(CCC2)C1	REAL250004648519	1	38	-1.0	-48.53	305.07	2.24	-46.29
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O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC=CCCC1	REAL250004648520	1	37	-1.0	-46.95	287.93	3.60	-43.35
CN1N=C2CCCC2=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648521	0	34	-1.0	-50.65	293.44	1.99	-48.66
CN1N=C2CCCC2=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648521	1	34	-1.0	-50.66	293.50	2.00	-48.66
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1C1CC1	REAL250004648522	0	31	-1.0	-49.96	272.28	1.87	-48.09
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1C1CC1	REAL250004648522	1	31	-1.0	-49.95	272.21	1.88	-48.07
CC1=CN=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648523	0	29	-1.0	-45.57	260.80	1.34	-44.23
CC1=CN=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648523	1	29	-1.0	-45.66	260.73	1.34	-44.32
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCO1	REAL250004648524	0	34	-1.0	-54.53	280.46	2.03	-52.50
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCO1	REAL250004648524	1	34	-1.0	-54.55	280.55	2.02	-52.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(C1)CC(F)(F)C2	REAL250004648525	0	34	-1.0	-47.98	296.41	3.65	-44.33
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(C1)CC(F)(F)C2	REAL250004648525	1	34	-1.0	-47.94	296.48	3.65	-44.29
N#CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NC2=CC=CC=C21	REAL250004648526	0	32	-1.0	-55.57	296.28	2.86	-52.71
N#CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC2=CC=CC=C21	REAL250004648526	1	32	-1.0	-55.52	296.19	2.86	-52.66
NC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004648527	0	27	-1.0	-52.69	254.27	-0.97	-53.66
NC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004648527	1	27	-1.0	-52.68	254.20	-0.97	-53.65
CNC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL250004648528	0	32	-1.0	-52.80	290.35	1.82	-50.98
CNC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL250004648528	1	32	-1.0	-52.85	290.44	1.82	-51.03
CC1=NC(C)=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648529	0	32	-1.0	-49.25	293.05	1.78	-47.47
CC1=NC(C)=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648529	1	32	-1.0	-49.24	293.12	1.78	-47.46
O=C(COCC1=CC=CC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648530	0	33	-1.0	-51.06	294.81	2.00	-49.06
O=C(COCC1=CC=CC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648530	1	33	-1.0	-51.06	294.88	2.00	-49.06
COC1=CC=C(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648531	0	36	-1.0	-47.47	316.09	0.81	-46.66
COC1=CC=C(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648531	1	36	-1.0	-47.46	316.02	0.81	-46.65
CCN1C=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648532	0	31	-1.0	-47.74	287.34	3.34	-44.40
CCN1C=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648532	1	31	-1.0	-47.74	287.42	3.34	-44.40
CC1C2=CNN=C2CCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648533	0	37	-1.0	-48.00	302.86	1.94	-46.06
CC1C2=CNN=C2CCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648533	1	37	-1.0	-48.03	302.93	1.94	-46.09
CC(C)(C)OC(=O)NOCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648534	0	38	-1.0	-57.63	326.80	0.78	-56.85
CC(C)(C)OC(=O)NOCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648534	1	38	-1.0	-57.63	326.88	0.79	-56.84
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648535	0	36	-1.0	-56.70	302.98	3.74	-52.96
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648535	1	36	-1.0	-56.70	303.05	3.73	-52.97
COC1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=NN21	REAL250004648536	0	34	-1.0	-56.99	299.92	1.01	-55.98
COC1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=NN21	REAL250004648536	1	34	-1.0	-56.96	299.83	1.01	-55.95
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648537	0	30	-1.0	-56.55	270.87	1.95	-54.60
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648537	1	30	-1.0	-56.50	270.96	1.94	-54.56
COC(=O)C1=CC(C)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648538	0	33	-1.0	-45.54	302.05	2.01	-43.53
COC(=O)C1=CC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648538	1	33	-1.0	-45.60	302.14	2.01	-43.59
CC1CCC2=C(C1)C(C(=O)NC1(C3=N[N-]N=N3)CC1)=NN2	REAL250004648539	0	37	-1.0	-53.08	307.95	1.95	-51.13
CC1CCC2=C(C1)C(C(=O)NC1(C3=NN=N[N-]3)CC1)=NN2	REAL250004648539	1	37	-1.0	-53.03	308.04	1.94	-51.09
O=C(CC(F)(F)C(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004648540	0	26	-1.0	-55.20	252.06	1.52	-53.68
O=C(CC(F)(F)C(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004648540	1	26	-1.0	-55.21	252.13	1.53	-53.68
NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648541	0	34	-1.0	-58.53	287.40	-1.10	-59.63
NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648541	1	34	-1.0	-58.54	287.47	-1.10	-59.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NSC2=CC=CC=C21	REAL250004648542	0	29	-1.0	-50.15	273.81	2.51	-47.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NSC2=CC=CC=C21	REAL250004648542	1	29	-1.0	-50.14	273.72	2.51	-47.63
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648543	0	37	-1.0	-50.91	315.94	5.31	-45.60
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648543	1	37	-1.0	-50.97	316.03	5.30	-45.67
CC(=O)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648544	0	31	-1.0	-54.04	281.07	1.33	-52.71
CC(=O)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648544	1	31	-1.0	-54.07	281.13	1.32	-52.75
COC1=CC(OC)=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648545	0	33	-1.0	-48.62	300.58	-3.00	-51.62
COC1=CC(OC)=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648545	1	33	-1.0	-48.69	300.49	-2.99	-51.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CCCC(=O)C2=C1	REAL250004648546	0	33	-1.0	-56.87	293.44	1.01	-55.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CCCC(=O)C2=C1	REAL250004648546	1	33	-1.0	-56.88	293.53	0.98	-55.90
CC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004648547	0	35	-1.0	-50.09	298.72	3.69	-46.40
CC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004648547	1	35	-1.0	-50.07	298.78	3.71	-46.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(C2=CC=CC=N2)=NO1	REAL250004648548	0	34	-1.0	-54.57	307.31	2.21	-52.36
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(C2=CC=CC=N2)=NO1	REAL250004648548	1	34	-1.0	-54.56	307.25	2.21	-52.35
CCN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C1CC1	REAL250004648549	0	37	-1.0	-53.19	320.72	3.15	-50.04
CCN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C1CC1	REAL250004648549	1	37	-1.0	-53.18	320.81	3.13	-50.05
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648550	0	39	-1.0	-53.09	311.40	3.85	-49.24
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648550	1	39	-1.0	-53.10	311.48	3.86	-49.24
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648551	0	37	-1.0	-47.56	322.37	4.74	-42.82
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648551	1	37	-1.0	-47.58	322.43	4.75	-42.83
CC1=NNC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C12	REAL250004648552	0	33	-1.0	-55.76	289.51	1.89	-53.87
CC1=NNC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C12	REAL250004648552	1	33	-1.0	-55.76	289.42	1.90	-53.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCOC2(CCCC2)C1	REAL250004648553	0	41	-1.0	-50.51	319.09	2.75	-47.76
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCOC2(CCCC2)C1	REAL250004648553	1	41	-1.0	-50.51	319.17	2.74	-47.77
CN(CC(=O)NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL250004648554	1	39	-1.0	-46.89	311.51	-1.77	-48.66
O=C(CC1=NN=C(C2CC2)N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648555	0	33	-1.0	-55.81	293.19	2.08	-53.73
O=C(CC1=NN=C(C2CC2)N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648555	1	33	-1.0	-55.87	293.26	2.08	-53.79
O=C(CN1N=NC2=CC=CC=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004648556	0	32	-1.0	-51.52	290.97	1.40	-50.12
O=C(CN1N=NC2=CC=CC=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004648556	1	32	-1.0	-51.47	290.91	1.39	-50.08
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=C1C#N	REAL250004648557	0	34	-1.0	-45.74	302.17	4.02	-41.72
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=C1C#N	REAL250004648557	1	34	-1.0	-45.79	302.24	4.02	-41.77
CCOC1C(C)C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648558	0	34	-1.0	-49.24	287.00	1.92	-47.32
CCOC1C(C)C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648558	1	34	-1.0	-49.25	287.07	1.92	-47.33
CCCCCC(=O)NCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648559	0	39	-1.0	-45.50	331.33	1.14	-44.36
CCCCCC(=O)NCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648559	1	39	-1.0	-45.48	331.41	1.14	-44.34
CCNC1=NC(C)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648560	0	34	-1.0	-49.11	306.24	1.14	-47.97
CCNC1=NC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648560	1	34	-1.0	-49.10	306.32	1.14	-47.96
C=CCNC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648561	0	32	-1.0	-49.53	302.06	1.06	-48.47
C=CCNC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648561	1	32	-1.0	-49.53	301.97	1.08	-48.45
COC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NC2=CC=C1	REAL250004648562	0	35	-1.0	-53.14	306.47	1.74	-51.40
COC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NC2=CC=C1	REAL250004648562	1	35	-1.0	-53.12	306.38	1.74	-51.38
CC1=CC(C)=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1	REAL250004648563	0	36	-1.0	-63.44	309.70	1.35	-62.09
CC1=CC(C)=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1	REAL250004648563	1	36	-1.0	-63.48	309.77	1.36	-62.12
O=C(CC1(O)CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648564	0	35	-1.0	-50.61	285.46	-1.11	-51.72
O=C(CC1(O)CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648564	1	35	-1.0	-50.64	285.53	-1.08	-51.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2NC=CC2=N1	REAL250004648565	0	30	-1.0	-54.64	271.65	0.77	-53.87
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2NC=CC2=N1	REAL250004648565	1	30	-1.0	-54.60	271.56	0.78	-53.82
CN1C=NC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648566	0	31	-1.0	-52.70	282.01	3.28	-49.42
CN1C=NC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648566	1	31	-1.0	-52.69	282.08	3.28	-49.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(C(F)F)SC=C1	REAL250004648567	0	27	-1.0	-55.64	262.09	2.51	-53.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(C(F)F)SC=C1	REAL250004648567	1	27	-1.0	-55.68	262.18	2.50	-53.18
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648568	0	40	-1.0	-47.07	341.19	6.33	-40.74
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648568	1	40	-1.0	-47.08	341.26	6.34	-40.74
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004648569	0	33	-1.0	-53.16	301.43	3.11	-50.05
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004648569	1	33	-1.0	-53.16	301.36	3.11	-50.05
CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1Cl	REAL250004648570	0	33	-1.0	-48.65	303.04	4.41	-44.24
CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1Cl	REAL250004648570	1	33	-1.0	-48.68	303.10	4.41	-44.27
O=C(CC1=CC=C(O)C(O)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648571	0	32	-1.0	-51.50	289.35	-1.62	-53.12
O=C(CC1=CC=C(O)C(O)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648571	1	32	-1.0	-51.51	289.42	-1.62	-53.13
O=C(CN1CCC(CO)CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648572	0	39	-1.0	-50.92	314.41	-2.08	-53.00
O=C(CN1CCC(CO)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648572	1	39	-1.0	-50.93	314.50	-2.08	-53.01
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C=O	REAL250004648573	0	29	-1.0	-50.00	268.96	-0.14	-50.14
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C=O	REAL250004648573	1	29	-1.0	-49.98	268.87	-0.10	-50.08
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CS(=O)(=O)CCC1	REAL250004648574	0	31	-1.0	-60.30	277.13	-1.13	-61.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CS(=O)(=O)CCC1	REAL250004648574	1	31	-1.0	-60.28	277.20	-1.14	-61.42
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CC1)N=N2	REAL250004648575	0	33	-1.0	-45.61	281.35	-2.54	-48.15
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2(CC1)N=N2	REAL250004648575	1	33	-1.0	-45.60	281.41	-2.54	-48.14
CC1CN2CCN1CC2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648576	1	38	-1.0	-48.58	291.02	-2.59	-51.17
CC1CN2CCN1CC2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648576	1	38	-1.0	-48.58	291.09	-2.57	-51.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CCCC(O)C2=C1	REAL250004648577	0	35	-1.0	-53.96	300.81	-1.40	-55.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CCCC(O)C2=C1	REAL250004648577	1	35	-1.0	-53.98	300.90	-1.41	-55.39
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2N=CNC2=CC=C1F	REAL250004648578	0	30	-1.0	-62.40	279.19	2.05	-60.35
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2N=CNC2=CC=C1F	REAL250004648578	1	30	-1.0	-62.45	279.10	2.06	-60.39
CC1=CC(C)=NN1CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648579	0	39	-1.0	-51.54	334.01	3.18	-48.36
CC1=CC(C)=NN1CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648579	1	39	-1.0	-51.58	334.08	3.18	-48.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CC2=CC=CN=C21	REAL250004648580	0	31	-1.0	-60.26	279.58	1.57	-58.69
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CC2=CC=CN=C21	REAL250004648580	1	31	-1.0	-60.21	279.49	1.58	-58.63
CC1=CC=CN2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C12	REAL250004648581	0	34	-1.0	-53.19	298.04	4.86	-48.33
CC1=CC=CN2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C12	REAL250004648581	1	34	-1.0	-53.19	297.97	4.86	-48.33
CC(C)C1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCO1	REAL250004648582	0	40	-1.0	-48.60	318.32	2.43	-46.17
CC(C)C1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCO1	REAL250004648582	1	40	-1.0	-48.64	318.39	2.45	-46.19
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1CCOC2	REAL250004648583	0	35	-1.0	-50.71	291.13	2.59	-48.12
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1CCOC2	REAL250004648583	1	35	-1.0	-50.69	291.22	2.58	-48.11
O=C(CC1CCCC1(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004648584	0	33	-1.0	-56.47	280.39	2.89	-53.58
O=C(CC1CCCC1(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004648584	1	33	-1.0	-56.46	280.47	2.88	-53.58
COC1(C(=O)NC2(C3=N[N-]N=N3)CC2)CS(=O)(=O)C1	REAL250004648585	0	31	-1.0	-49.65	275.23	-2.64	-52.29
COC1(C(=O)NC2(C3=NN=N[N-]3)CC2)CS(=O)(=O)C1	REAL250004648585	1	31	-1.0	-49.69	275.29	-2.63	-52.32
O=C(CC1CCC(C2CC2)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648586	0	38	-1.0	-55.36	314.59	3.48	-51.88
O=C(CC1CCC(C2CC2)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004648586	1	38	-1.0	-55.39	314.69	3.47	-51.92
COC1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648587	0	33	-1.0	-50.51	293.19	0.32	-50.19
COC1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648587	1	33	-1.0	-50.52	293.26	0.31	-50.21
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004648588	0	37	-1.0	-46.25	290.62	4.09	-42.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004648588	1	37	-1.0	-46.29	290.69	4.11	-42.18
O=CC1=CNC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C12	REAL250004648589	0	33	-1.0	-53.67	298.28	2.43	-51.24
O=CC1=CNC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C12	REAL250004648589	1	33	-1.0	-53.69	298.21	2.43	-51.26
O=CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004648590	0	28	-1.0	-51.51	263.64	0.51	-51.00
O=CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004648590	1	28	-1.0	-51.53	263.55	0.52	-51.01
CN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C=O	REAL250004648591	0	30	-1.0	-52.67	274.20	1.74	-50.93
CN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C=O	REAL250004648591	1	30	-1.0	-52.68	274.27	1.75	-50.93
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(C1)CS(=O)(=O)C2	REAL250004648593	0	34	-1.0	-53.10	302.07	-0.78	-53.88
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(C1)CS(=O)(=O)C2	REAL250004648593	1	34	-1.0	-53.13	302.16	-0.79	-53.92
O=CC1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648594	0	28	-1.0	-45.56	260.46	0.59	-44.97
O=CC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648594	1	28	-1.0	-45.57	260.39	0.57	-45.00
CC(C)N1C=CN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648595	0	33	-1.0	-49.61	285.12	2.44	-47.17
CC(C)N1C=CN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648595	1	33	-1.0	-49.56	285.03	2.44	-47.12
COC1=NSC(OC)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648596	0	31	-1.0	-52.33	295.70	-2.15	-54.48
COC1=NSC(OC)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648596	1	31	-1.0	-52.32	295.63	-2.17	-54.49
CC1=CC=C(C#N)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648597	0	31	-1.0	-49.85	278.78	3.44	-46.41
CC1=CC=C(C#N)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648597	1	31	-1.0	-49.89	278.85	3.45	-46.44
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CCCNC2=NN1	REAL250004648598	0	33	-1.0	-48.68	280.95	-0.35	-49.03
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CCCNC2=NN1	REAL250004648598	1	33	-1.0	-48.69	281.02	-0.32	-49.01
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CC=CC2=NO1	REAL250004648599	0	29	-1.0	-47.95	267.71	2.14	-45.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CC=CC2=NO1	REAL250004648599	1	29	-1.0	-47.96	267.62	2.14	-45.82
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2OC=NC2=C1	REAL250004648600	0	29	-1.0	-53.18	264.78	-0.46	-53.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2OC=NC2=C1	REAL250004648600	1	29	-1.0	-53.17	264.71	-0.46	-53.63
CC1=NNC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648601	0	33	-1.0	-46.69	290.81	1.04	-45.65
CC1=NNC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648601	1	33	-1.0	-46.69	290.87	1.05	-45.64
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CC1(O)CCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648604	0	40	-1.0	-46.85	316.91	1.01	-45.84
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CC(C)[C@H](NC(N)=O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648605	0	35	-1.0	-48.51	289.30	-2.93	-51.44
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CC1=CC(Cl)=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648617	0	29	-1.0	-47.93	278.24	1.85	-46.08
CC1=CC(Cl)=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648617	1	29	-1.0	-47.90	278.31	1.88	-46.02
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CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C(C=O)O1	REAL250004648620	1	29	-1.0	-47.73	267.88	1.11	-46.62
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O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004648622	1	31	-1.0	-52.53	282.38	2.00	-50.53
CC1=C(C)N2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004648623	0	36	-1.0	-55.39	309.37	3.38	-52.01
CC1=C(C)N2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2C=C1	REAL250004648623	1	36	-1.0	-55.42	309.28	3.40	-52.02
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648624	0	34	-1.0	-48.90	299.02	2.19	-46.71
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648624	1	34	-1.0	-48.96	299.10	2.18	-46.78
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CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL250004648626	0	35	-1.0	-61.24	299.93	3.84	-57.40
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL250004648626	1	35	-1.0	-61.27	299.83	3.85	-57.42
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C=CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004648628	1	40	-1.0	-46.61	304.11	3.95	-42.66
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648629	0	33	-1.0	-46.33	295.63	2.59	-43.74
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648629	1	33	-1.0	-46.32	295.72	2.58	-43.74
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=NC=C1F	REAL250004648630	0	26	-1.0	-47.73	259.82	1.26	-46.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=NC=C1F	REAL250004648630	1	26	-1.0	-47.70	259.73	1.27	-46.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2OC=CC2=CC(F)=C1	REAL250004648631	0	30	-1.0	-52.96	276.44	3.50	-49.46
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2OC=CC2=CC(F)=C1	REAL250004648631	1	30	-1.0	-53.01	276.35	3.51	-49.50
CC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)OC2=CC=C1	REAL250004648632	0	33	-1.0	-49.15	295.22	3.55	-45.60
CC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)OC2=CC=C1	REAL250004648632	1	33	-1.0	-49.13	295.32	3.54	-45.59
CC(C)N1C=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648633	0	36	-1.0	-52.86	309.79	2.45	-50.41
CC(C)N1C=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648633	1	36	-1.0	-52.87	309.86	2.45	-50.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NC=CC=C2O1	REAL250004648634	0	29	-1.0	-51.11	269.19	1.08	-50.03
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NC=CC=C2O1	REAL250004648634	1	29	-1.0	-51.09	269.10	1.09	-50.00
CC1=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)SC=N1	REAL250004648635	0	30	-1.0	-47.27	282.27	1.63	-45.64
CC1=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)SC=N1	REAL250004648635	1	30	-1.0	-47.27	282.34	1.63	-45.64
O=C(C=CC1=CC=C(Cl)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648636	0	31	-1.0	-47.09	294.51	4.33	-42.76
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CC1=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004648637	0	32	-1.0	-49.59	286.08	2.23	-47.36
CC1=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004648637	1	32	-1.0	-49.61	286.15	2.24	-47.37
O=C(C=CC1=CN=CC(F)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648639	0	30	-1.0	-46.35	278.79	2.11	-44.24
O=C(C=CC1=CN=CC(F)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648639	1	30	-1.0	-46.34	278.86	2.12	-44.22
CC[C@@H]1OCC[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648640	0	34	-1.0	-43.90	283.39	1.21	-42.69
CC[C@@H]1OCC[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648640	1	34	-1.0	-43.90	283.46	1.22	-42.68
CC1=CC=CC=C1C(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648641	0	36	-1.0	-49.85	300.71	4.38	-45.47
CC1=CC=CC=C1C(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648641	1	36	-1.0	-49.83	300.79	4.37	-45.46
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004648642	0	29	-1.0	-47.54	267.30	-0.95	-48.49
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004648642	1	29	-1.0	-47.55	267.24	-0.98	-48.53
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CSCC(=O)N1	REAL250004648643	0	29	-1.0	-45.84	267.37	-1.03	-46.87
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CC1=C(OCC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)C=CO1	REAL250004648645	0	33	-1.0	-56.46	299.24	2.51	-53.95
CC1=C(OCC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)C=CO1	REAL250004648645	1	33	-1.0	-56.44	299.30	2.52	-53.92
CC(C)(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(F)F	REAL250004648646	0	32	-1.0	-43.54	270.73	2.39	-41.15
CC(C)(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(F)F	REAL250004648646	1	32	-1.0	-43.57	270.80	2.39	-41.18
CN1C(=O)CC[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648647	0	31	-1.0	-55.16	271.95	0.55	-54.61
CN1C(=O)CC[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648647	1	31	-1.0	-55.13	272.04	0.54	-54.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCCC1F	REAL250004648648	0	33	-1.0	-52.64	273.46	2.81	-49.83
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCCC1F	REAL250004648648	1	33	-1.0	-52.66	273.53	2.82	-49.84
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)O1	REAL250004648649	0	27	-1.0	-44.11	268.40	1.74	-42.37
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)O1	REAL250004648649	1	27	-1.0	-44.09	268.49	1.73	-42.36
CCC1=NOC(COCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648650	0	35	-1.0	-55.67	315.11	-0.10	-55.77
CCC1=NOC(COCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648650	1	35	-1.0	-55.71	315.18	-0.09	-55.80
CC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=C1	REAL250004648651	0	32	-1.0	-49.84	277.45	2.10	-47.74
CC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=C1	REAL250004648651	1	32	-1.0	-49.85	277.38	2.08	-47.77
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004648652	1	33	-1.0	-51.17	299.91	2.64	-48.53
O=C(C=CCl)NCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648653	0	31	-1.0	-54.20	297.70	-0.22	-54.42
O=C(C=CCl)NCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648653	1	31	-1.0	-54.21	297.77	-0.22	-54.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=COC2=CC=N1	REAL250004648654	0	29	-1.0	-52.82	265.56	1.12	-51.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=COC2=CC=N1	REAL250004648654	1	29	-1.0	-52.83	265.47	1.12	-51.71
CCCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(=O)N1	REAL250004648655	0	36	-1.0	-52.69	312.31	1.63	-51.06
CCCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL250004648655	1	36	-1.0	-52.69	312.38	1.64	-51.05
CCOC1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648656	0	36	-1.0	-50.66	315.06	1.22	-49.44
CCOC1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648656	1	36	-1.0	-50.66	315.13	1.22	-49.44
CC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004648657	0	32	-1.0	-50.77	279.69	2.00	-48.77
CC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004648657	1	32	-1.0	-50.74	279.78	1.99	-48.75
CC1=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CNC2=N1	REAL250004648659	0	32	-1.0	-75.21	285.34	1.37	-73.84
CC1=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CNC2=N1	REAL250004648659	1	32	-1.0	-75.18	285.25	1.38	-73.80
CC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL250004648660	0	35	-1.0	-57.43	312.69	2.69	-54.74
CC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL250004648660	1	35	-1.0	-57.46	312.76	2.71	-54.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(CC2CC2)S1	REAL250004648661	0	34	-1.0	-48.78	310.09	4.66	-44.12
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C=CCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648664	1	31	-1.0	-47.63	281.46	1.80	-45.83
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O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2=CNN=C21	REAL250004648666	1	34	-1.0	-50.22	285.40	1.46	-48.76
CC1(C2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)CC1	REAL250004648667	0	37	-1.0	-49.63	309.63	5.11	-44.52
CC1(C2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)CC1	REAL250004648667	1	37	-1.0	-49.62	309.70	5.11	-44.51
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC(F)=C1	REAL250004648668	0	33	-1.0	-47.72	296.55	4.01	-43.71
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CC(F)=C1	REAL250004648668	1	33	-1.0	-47.73	296.61	4.01	-43.72
CC1=NOC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648669	0	32	-1.0	-48.62	286.10	2.28	-46.34
CC1=NOC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648669	1	32	-1.0	-48.65	286.16	2.29	-46.36
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NOC(C2CCC2)=C1	REAL250004648670	0	33	-1.0	-47.13	291.86	2.69	-44.44
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NOC(C2CCC2)=C1	REAL250004648670	1	33	-1.0	-47.12	291.95	2.69	-44.43
CC1(C)C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1(C)C	REAL250004648671	0	39	-1.0	-47.10	310.66	3.95	-43.15
CC1(C)C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1(C)C	REAL250004648671	1	39	-1.0	-47.12	310.73	3.96	-43.16
CC1(C)CC2(CC(C(=O)NC3(C4=N[N-]N=N4)CC3)C2)C1	REAL250004648672	0	40	-1.0	-45.66	320.52	4.48	-41.18
CC1(C)CC2(CC(C(=O)NC3(C4=NN=N[N-]4)CC3)C2)C1	REAL250004648672	1	40	-1.0	-45.70	320.59	4.48	-41.22
NC1=CC=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648673	0	29	-1.0	-46.14	258.70	0.77	-45.37
NC1=CC=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648673	1	29	-1.0	-46.17	258.79	0.76	-45.41
C[C@@H]1C[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL250004648674	0	42	-1.0	-45.89	323.35	4.35	-41.54
C[C@@H]1C[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL250004648674	1	42	-1.0	-45.90	323.42	4.35	-41.55
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C=CN=CC2=N1	REAL250004648675	0	29	-1.0	-50.32	268.42	1.22	-49.10
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2C=CN=CC2=N1	REAL250004648675	1	29	-1.0	-50.28	268.33	1.24	-49.04
CC(C)(C)C1=NNC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648676	0	35	-1.0	-44.33	304.32	1.14	-43.19
CC(C)(C)C1=NNC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648676	1	35	-1.0	-44.35	304.41	1.12	-43.23
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(OC)=N1	REAL250004648677	0	34	-1.0	-53.00	300.24	-0.76	-53.76
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(OC)=N1	REAL250004648677	1	34	-1.0	-52.94	300.15	-0.74	-53.68
CC(C)CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004648678	0	41	-1.0	-47.80	319.42	3.88	-43.92
CC(C)CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004648678	1	41	-1.0	-47.80	319.49	3.89	-43.91
CC1(C)C2CCC(C2)C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648679	0	40	-1.0	-50.50	298.05	4.24	-46.26
CC1(C)C2CCC(C2)C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648679	1	40	-1.0	-50.50	298.10	4.25	-46.25
NC(=O)C1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648680	0	34	-1.0	-59.03	302.12	0.08	-58.95
NC(=O)C1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648680	1	34	-1.0	-59.05	302.19	0.09	-58.96
NC1=CC(F)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1Cl	REAL250004648681	0	29	-1.0	-52.20	276.88	1.05	-51.15
NC1=CC(F)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1Cl	REAL250004648681	1	29	-1.0	-52.17	276.96	1.05	-51.12
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(O)=C1	REAL250004648682	0	28	-1.0	-47.32	259.32	-0.15	-47.47
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(O)=C1	REAL250004648682	1	28	-1.0	-47.33	259.39	-0.15	-47.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(O)=C1	REAL250004648684	1	28	-1.0	-46.88	269.12	0.33	-46.55
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(O)=C1	REAL250004648684	1	28	-1.0	-46.94	269.19	0.35	-46.59
CN1C=CC2=C1C=C(C(=O)NC1(C3=NN=N[N-]3)CC1)N2	REAL250004648685	0	32	-1.0	-52.77	284.07	1.99	-50.78
CN1C=CC2=C1C=C(C(=O)NC1(C3=N[N-]N=N3)CC1)N2	REAL250004648685	1	32	-1.0	-52.78	283.97	2.00	-50.78
O=C(CC(C(F)F)N1C=CC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648686	0	33	-1.0	-50.67	294.56	2.17	-48.50
O=C(CC(C(F)F)N1C=CC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648686	1	33	-1.0	-50.70	294.51	2.17	-48.53
C=C(F)C1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCC1	REAL250004648687	0	34	-1.0	-49.42	283.98	3.04	-46.38
C=C(F)C1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCC1	REAL250004648687	1	34	-1.0	-49.44	284.07	3.04	-46.40
N#CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004648688	0	28	-1.0	-52.72	268.36	2.97	-49.75
N#CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004648688	1	28	-1.0	-52.71	268.46	2.96	-49.75
NC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004648689	0	30	-1.0	-53.14	274.30	-2.29	-55.43
NC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004648689	1	30	-1.0	-53.16	274.23	-2.30	-55.46
O=C(CC(C(F)F)N1C=CN=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648690	0	33	-1.0	-45.38	294.37	3.23	-42.15
O=C(CC(C(F)F)N1C=CN=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648690	1	33	-1.0	-45.38	294.44	3.24	-42.14
O=C(CC(O)C1CCCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648691	0	37	-1.0	-48.76	303.06	1.28	-47.48
O=C(CC(O)C1CCCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648691	1	37	-1.0	-48.77	303.13	1.28	-47.49
NC(=O)C1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648692	0	30	-1.0	-60.77	275.24	-2.43	-63.20
NC(=O)C1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648692	1	30	-1.0	-60.81	275.15	-2.44	-63.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C2=CC=CN=C12	REAL250004648693	0	32	-1.0	-56.33	287.82	3.37	-52.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C2=CC=CN=C12	REAL250004648693	1	32	-1.0	-56.34	287.73	3.38	-52.96
CC1(OCC(=O)NC2(C3=N[N-]N=N3)CC2)CCCC1	REAL250004648694	0	37	-1.0	-49.38	300.73	3.09	-46.29
CC1(OCC(=O)NC2(C3=NN=N[N-]3)CC2)CCCC1	REAL250004648694	1	37	-1.0	-49.38	300.81	3.11	-46.27
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C(Cl)C=C1Cl	REAL250004648695	0	26	-1.0	-46.54	269.24	1.80	-44.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(Cl)C=C1Cl	REAL250004648695	1	26	-1.0	-46.48	269.17	1.77	-44.71
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2C=N1	REAL250004648696	0	32	-1.0	-53.50	286.14	3.07	-50.43
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2C=N1	REAL250004648696	1	32	-1.0	-53.47	286.07	3.05	-50.42
O=C(CCC1CC(F)(F)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648697	0	33	-1.0	-46.40	290.54	3.34	-43.06
O=C(CCC1CC(F)(F)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648697	1	33	-1.0	-46.43	290.61	3.35	-43.08
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1F	REAL250004648698	0	29	-1.0	-48.14	267.10	1.35	-46.79
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1F	REAL250004648698	1	29	-1.0	-48.17	267.01	1.36	-46.81
O=C(COC1=CC=C(F)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004648699	0	30	-1.0	-48.37	280.67	0.71	-47.66
O=C(COC1=CC=C(F)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648699	1	30	-1.0	-48.37	280.60	0.70	-47.67
CC1(C)COCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004648700	0	38	-1.0	-53.83	310.03	1.46	-52.37
CC1(C)COCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648700	1	38	-1.0	-53.80	310.12	1.45	-52.35
CC1(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCO1	REAL250004648701	0	37	-1.0	-45.94	294.42	1.61	-44.33
CC1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCO1	REAL250004648701	1	37	-1.0	-45.96	294.48	1.62	-44.34
O=C(CCCCC(F)(F)F)NC1(C2=N[N-]N=N2)CC1	REAL250004648702	0	32	-1.0	-46.84	290.50	3.03	-43.81
O=C(CCCCC(F)(F)F)NC1(C2=NN=N[N-]2)CC1	REAL250004648702	1	32	-1.0	-46.86	290.57	3.03	-43.83
O=C(NC1(C2=N[N-]N=N2)CC1)[C@H]1C[C@@H](OC(F)F)C1	REAL250004648703	0	31	-1.0	-49.32	279.85	0.82	-48.50
O=C(NC1(C2=NN=N[N-]2)CC1)[C@H]1C[C@@H](OC(F)F)C1	REAL250004648703	1	31	-1.0	-49.34	279.95	0.81	-48.53
CN1N=CC=C1C(F)(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648704	0	30	-1.0	-43.77	277.63	0.94	-42.83
CN1N=CC=C1C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648704	1	30	-1.0	-43.77	277.56	0.92	-42.85
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)C1=CSC=N1	REAL250004648705	0	26	-1.0	-47.81	260.83	1.09	-46.72
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CSC=N1	REAL250004648705	1	26	-1.0	-47.76	260.75	1.07	-46.69
CC(C)(C)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648706	0	38	-1.0	-50.14	319.58	3.37	-46.77
CC(C)(C)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648706	1	38	-1.0	-50.12	319.49	3.38	-46.74
COC1CCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648707	0	34	-1.0	-50.26	282.60	1.33	-48.93
COC1CCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648707	1	34	-1.0	-50.27	282.66	1.34	-48.93
COC(=O)[C@H]1C[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648708	0	33	-1.0	-54.43	289.15	2.13	-52.30
COC(=O)[C@H]1C[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648708	1	33	-1.0	-54.42	289.24	2.13	-52.29
CCCCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648709	0	35	-1.0	-48.32	315.87	2.70	-45.62
CCCCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648709	1	35	-1.0	-48.36	315.95	2.69	-45.67
CCC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004648710	0	29	-1.0	-49.98	273.33	0.93	-49.05
CCC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004648710	1	29	-1.0	-49.98	273.40	0.96	-49.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NNC=C1C1CC1	REAL250004648711	0	31	-1.0	-53.44	274.14	1.08	-52.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NNC=C1C1CC1	REAL250004648711	1	31	-1.0	-53.46	274.23	1.06	-52.40
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2CC2CC1	REAL250004648712	0	37	-1.0	-43.97	281.38	3.80	-40.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2CC2CC1	REAL250004648712	1	37	-1.0	-43.96	281.45	3.80	-40.16
O=C(CC1CCC=CCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648713	0	37	-1.0	-46.46	293.51	4.00	-42.46
O=C(CC1CCC=CCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648713	1	37	-1.0	-46.48	293.59	4.01	-42.47
CC(=O)N1CSC[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648714	0	32	-1.0	-58.78	286.01	1.99	-56.79
CC(=O)N1CSC[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648714	1	32	-1.0	-58.83	286.08	1.99	-56.84
CC1(C)CCC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648715	0	37	-1.0	-46.56	294.79	3.82	-42.74
CC1(C)CCC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648715	1	37	-1.0	-46.57	294.85	3.82	-42.75
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL250004648716	0	30	-1.0	-50.37	282.89	-0.33	-50.70
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL250004648716	1	30	-1.0	-50.36	282.80	-0.32	-50.68
CCC1=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CNC2=N1	REAL250004648717	0	35	-1.0	-74.87	305.95	2.25	-72.62
CCC1=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CNC2=N1	REAL250004648717	1	35	-1.0	-74.90	305.86	2.26	-72.64
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1CCCCCCC1	REAL250004648718	0	43	-1.0	-48.11	319.56	2.17	-45.94
O=C(NC1(C2=NN=N[N-]2)CC1)C(O)C1CCCCCCC1	REAL250004648718	1	43	-1.0	-48.11	319.61	2.19	-45.92
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C2CCCCC2=N1	REAL250004648719	0	39	-1.0	-48.62	317.04	3.80	-44.82
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C2CCCCC2=N1	REAL250004648719	1	39	-1.0	-48.66	317.13	3.79	-44.87
O=C(C=CC1=CC=CN=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648720	0	30	-1.0	-47.84	272.37	2.05	-45.79
O=C(C=CC1=CC=CN=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648720	1	30	-1.0	-47.86	272.43	2.06	-45.80
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CC2)O1	REAL250004648721	0	31	-1.0	-48.70	280.30	2.91	-45.79
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CC2)O1	REAL250004648721	1	31	-1.0	-48.78	280.36	2.93	-45.85
COC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=C1	REAL250004648722	0	37	-1.0	-48.97	313.83	3.09	-45.88
COC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=C1	REAL250004648722	1	37	-1.0	-48.96	313.89	3.10	-45.86
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C(F)F	REAL250004648723	0	30	-1.0	-49.84	280.39	0.99	-48.85
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C(F)F	REAL250004648723	1	30	-1.0	-49.84	280.46	1.01	-48.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(C(F)F)=C1	REAL250004648724	0	30	-1.0	-49.07	282.29	3.59	-45.48
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(C(F)F)=C1	REAL250004648724	1	30	-1.0	-49.06	282.36	3.58	-45.48
CC(C)CC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648725	0	35	-1.0	-48.42	311.11	2.39	-46.03
CC(C)CC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648725	1	35	-1.0	-48.42	311.20	2.38	-46.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2CCCC(=O)C2=C1	REAL250004648726	0	35	-1.0	-52.10	302.34	2.42	-49.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2CCCC(=O)C2=C1	REAL250004648726	1	35	-1.0	-52.09	302.41	2.43	-49.66
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2SCCN12	REAL250004648727	0	29	-1.0	-52.98	268.35	1.64	-51.34
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2SCCN12	REAL250004648727	1	29	-1.0	-52.98	268.26	1.65	-51.33
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)F)C(F)=C1	REAL250004648728	0	30	-1.0	-43.69	281.26	3.58	-40.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)F)C(F)=C1	REAL250004648728	1	30	-1.0	-43.71	281.33	3.60	-40.11
O=C(NC1(C2=N[N-]N=N2)CC1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004648729	0	35	-1.0	-49.03	282.72	3.79	-45.24
O=C(NC1(C2=NN=N[N-]2)CC1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004648729	1	35	-1.0	-49.04	282.81	3.80	-45.24
CC1CC2CC2CC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648730	0	37	-1.0	-47.46	288.74	3.79	-43.67
CC1CC2CC2CC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648730	1	37	-1.0	-47.49	288.81	3.80	-43.69
CN1C=CC(=O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648731	0	30	-1.0	-62.51	265.97	1.79	-60.72
CN1C=CC(=O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648731	1	30	-1.0	-62.50	266.04	1.81	-60.69
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2SC=NC2=C1	REAL250004648732	0	29	-1.0	-51.86	274.20	2.01	-49.85
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2SC=NC2=C1	REAL250004648732	1	29	-1.0	-51.87	274.13	2.01	-49.86
O=C(CC1=NOC(C2CC2)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648733	0	33	-1.0	-51.30	295.38	3.08	-48.22
O=C(CC1=NOC(C2CC2)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648733	1	33	-1.0	-51.29	295.45	3.08	-48.21
O=C(C=CC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648734	0	31	-1.0	-47.52	277.49	3.82	-43.70
O=C(C=CC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648734	1	31	-1.0	-47.52	277.56	3.82	-43.70
O=C(C=CC1=CC=CC=C1Cl)NC1(C2=N[N-]N=N2)CC1	REAL250004648735	0	31	-1.0	-49.70	291.74	4.25	-45.45
O=C(C=CC1=CC=CC=C1Cl)NC1(C2=NN=N[N-]2)CC1	REAL250004648735	1	31	-1.0	-49.67	291.80	4.25	-45.42
O=C(C=CC1=CC=CC(F)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648736	0	31	-1.0	-47.81	283.90	3.88	-43.93
O=C(C=CC1=CC=CC(F)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648736	1	31	-1.0	-47.83	283.97	3.89	-43.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1O	REAL250004648737	1	28	-1.0	-54.24	258.08	1.11	-53.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(F)=C1O	REAL250004648737	1	28	-1.0	-54.25	258.18	1.10	-53.15
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648738	0	32	-1.0	-56.93	294.61	3.60	-53.33
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648738	1	32	-1.0	-56.90	294.68	3.61	-53.29
COC1=CC(C#N)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648739	0	32	-1.0	-52.39	291.12	3.45	-48.94
COC1=CC(C#N)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648739	1	32	-1.0	-52.37	291.21	3.44	-48.93
O=CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(Cl)S1	REAL250004648740	0	26	-1.0	-51.17	270.93	1.87	-49.30
O=CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(Cl)S1	REAL250004648740	1	26	-1.0	-51.16	271.01	1.87	-49.29
COC1=CC(=O)NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648741	0	31	-1.0	-51.40	273.44	-0.93	-52.33
COC1=CC(=O)NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648741	1	31	-1.0	-51.39	273.51	-0.92	-52.31
CC1=CC=CC(C(=O)C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648742	0	32	-1.0	-43.20	284.99	3.15	-40.05
CC1=CC=CC(C(=O)C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648742	1	32	-1.0	-43.24	285.05	3.14	-40.10
CCCCS(=O)(=O)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648743	0	35	-1.0	-64.26	313.86	-0.22	-64.48
CCCCS(=O)(=O)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648743	1	35	-1.0	-64.32	313.94	-0.21	-64.53
O=C(COC1CCCCCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648744	0	40	-1.0	-49.11	316.38	3.78	-45.33
O=C(COC1CCCCCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648744	1	40	-1.0	-49.12	316.45	3.78	-45.34
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1CCCCC2	REAL250004648745	0	40	-1.0	-52.95	313.84	5.14	-47.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1CCCCC2	REAL250004648745	1	40	-1.0	-52.94	313.90	5.15	-47.79
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004648746	0	37	-1.0	-48.53	287.84	3.78	-44.75
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004648746	1	37	-1.0	-48.52	287.91	3.80	-44.72
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC(F)=C1O	REAL250004648747	1	28	-1.0	-49.30	264.12	1.14	-48.16
CC1(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL250004648748	0	37	-1.0	-47.42	308.97	5.13	-42.29
CC1(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL250004648748	1	37	-1.0	-47.43	309.05	5.14	-42.29
CC(C)CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648749	0	36	-1.0	-48.87	316.73	4.36	-44.51
CC(C)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648749	1	36	-1.0	-48.89	316.82	4.35	-44.54
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(OC2CC2)C=C1	REAL250004648750	0	35	-1.0	-45.83	301.91	3.61	-42.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(OC2CC2)C=C1	REAL250004648750	1	35	-1.0	-45.84	301.98	3.62	-42.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CC2=NC=NC=C21	REAL250004648751	0	30	-1.0	-48.06	270.87	0.92	-47.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CC2=NC=NC=C21	REAL250004648751	1	30	-1.0	-48.03	270.80	0.89	-47.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004648752	0	36	-1.0	-51.05	310.97	4.33	-46.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250004648752	1	36	-1.0	-51.13	311.06	4.34	-46.79
O=C(CCC1=C2C=CC=CC2=NN1)NC1(C2=N[N-]N=N2)CC1	REAL250004648753	0	36	-1.0	-47.59	315.86	2.71	-44.88
O=C(CCC1=C2C=CC=CC2=NN1)NC1(C2=NN=N[N-]2)CC1	REAL250004648753	1	36	-1.0	-47.57	315.93	2.71	-44.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250004648754	0	26	-1.0	-46.02	268.21	1.11	-44.91
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250004648754	1	26	-1.0	-46.02	268.30	1.11	-44.91
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=CNN=C2C=C1	REAL250004648755	0	29	-1.0	-53.30	266.42	-0.56	-53.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=CNN=C2C=C1	REAL250004648755	1	29	-1.0	-53.24	266.33	-0.55	-53.79
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1(O)CCOCC1	REAL250004648756	0	36	-1.0	-49.28	288.75	-3.41	-52.69
O=C(NC1(C2=NN=N[N-]2)CC1)C(O)C1(O)CCOCC1	REAL250004648756	1	36	-1.0	-49.23	288.82	-3.41	-52.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(CO)C=N1	REAL250004648757	0	30	-1.0	-51.14	273.18	-1.93	-53.07
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(CO)C=N1	REAL250004648757	1	30	-1.0	-51.13	273.09	-1.92	-53.05
COC1=C(Cl)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648758	0	31	-1.0	-52.81	288.24	3.64	-49.17
COC1=C(Cl)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648758	1	31	-1.0	-52.84	288.33	3.63	-49.21
CC1=CC=CC(NC(=O)C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648759	0	34	-1.0	-43.88	302.29	1.56	-42.32
CC1=CC=CC(NC(=O)C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648759	1	34	-1.0	-43.84	302.36	1.56	-42.28
CC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C2CCCCN12	REAL250004648760	0	37	-1.0	-55.04	308.04	3.17	-51.87
CC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C2CCCCN12	REAL250004648760	1	37	-1.0	-55.06	308.13	3.17	-51.89
N#CC1=C2CCCCN2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648761	0	36	-1.0	-52.02	305.83	4.42	-47.60
N#CC1=C2CCCCN2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648761	1	36	-1.0	-52.04	305.89	4.43	-47.61
CN1N=CC(Cl)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648762	0	30	-1.0	-50.43	284.79	1.35	-49.08
CN1N=CC(Cl)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648762	1	30	-1.0	-50.48	284.86	1.36	-49.12
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NNC(=O)N2C1	REAL250004648763	0	34	-1.0	-51.38	292.92	0.45	-50.93
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NNC(=O)N2C1	REAL250004648763	1	34	-1.0	-51.40	292.98	0.45	-50.95
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2CCOCC2=C1	REAL250004648764	0	33	-1.0	-50.34	285.76	1.46	-48.88
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2CCOCC2=C1	REAL250004648764	1	33	-1.0	-50.33	285.83	1.47	-48.86
CCN1C(=O)NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648765	0	31	-1.0	-53.04	274.69	0.13	-52.91
CCN1C(=O)NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648765	1	31	-1.0	-53.09	274.78	0.12	-52.97
CC1=CC(C(=O)C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1F	REAL250004648766	0	32	-1.0	-40.71	290.26	3.17	-37.54
CC1=CC(C(=O)C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1F	REAL250004648766	1	32	-1.0	-40.70	290.33	3.17	-37.53
O=C(NC1(C2=N[N-]N=N2)CC1)C(CC1=CC=CC=C1)C1CC1	REAL250004648767	0	40	-1.0	-51.42	334.98	5.88	-45.54
O=C(NC1(C2=NN=N[N-]2)CC1)C(CC1=CC=CC=C1)C1CC1	REAL250004648767	1	40	-1.0	-51.45	335.08	5.88	-45.57
CNC1=NC=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648768	0	31	-1.0	-49.98	269.82	1.04	-48.94
CNC1=NC=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648768	1	31	-1.0	-50.00	269.91	1.03	-48.97
O=C(CC1CCC2CC2C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648769	0	37	-1.0	-48.84	295.09	4.06	-44.78
O=C(CC1CCC2CC2C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648769	1	37	-1.0	-48.86	295.18	4.06	-44.80
CC1=NSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648770	0	26	-1.0	-46.29	251.96	0.73	-45.56
CC1=NSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648770	1	26	-1.0	-46.30	252.05	0.72	-45.58
O=C(CCC1=CC=C(CO)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648771	0	37	-1.0	-48.65	321.78	1.45	-47.20
O=C(CCC1=CC=C(CO)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648771	1	37	-1.0	-48.65	321.85	1.45	-47.20
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(Cl)C=C1Cl	REAL250004648772	0	26	-1.0	-45.55	267.71	1.68	-43.87
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(Cl)C=C1Cl	REAL250004648772	1	26	-1.0	-45.57	267.62	1.69	-43.88
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648773	0	35	-1.0	-55.48	312.22	2.75	-52.73
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648773	1	35	-1.0	-55.46	312.15	2.74	-52.72
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1(O)CCCCC1	REAL250004648774	0	43	-1.0	-48.91	325.22	1.77	-47.14
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1(O)CCCCC1	REAL250004648774	1	43	-1.0	-48.96	325.31	1.77	-47.19
CC(C)C(O)C(F)(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648775	0	33	-1.0	-43.33	283.61	0.64	-42.69
CC(C)C(O)C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648775	1	33	-1.0	-43.35	283.54	0.63	-42.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CC=CN2C=N1	REAL250004648776	0	30	-1.0	-58.84	271.37	3.80	-55.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CC=CN2C=N1	REAL250004648776	1	30	-1.0	-58.85	271.28	3.80	-55.05
CC1=CC=CN2N=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C12	REAL250004648777	0	33	-1.0	-54.89	295.07	2.80	-52.09
CC1=CC=CN2N=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C12	REAL250004648777	1	33	-1.0	-54.91	294.99	2.81	-52.10
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CCNC(=O)C2=C1	REAL250004648778	0	35	-1.0	-61.68	302.75	1.10	-60.58
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CCNC(=O)C2=C1	REAL250004648778	1	35	-1.0	-61.63	302.82	1.09	-60.54
CN1N=CC2=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C21	REAL250004648779	0	32	-1.0	-46.72	286.76	0.68	-46.04
CN1N=CC2=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C21	REAL250004648779	1	32	-1.0	-46.65	286.68	0.67	-45.98
CC1=CC2=CC=NC=C2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648780	0	35	-1.0	-58.53	299.43	3.43	-55.10
CC1=CC2=CC=NC=C2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648780	1	35	-1.0	-58.50	299.36	3.41	-55.09
CC(C)(C)OCCOCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648781	0	43	-1.0	-47.18	353.18	1.73	-45.45
CC(C)(C)OCCOCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648781	1	43	-1.0	-47.18	353.26	1.73	-45.45
CN(C)C(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CSC=N1	REAL250004648782	0	34	-1.0	-48.48	302.35	-0.49	-48.97
CN(C)C(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CSC=N1	REAL250004648782	1	34	-1.0	-48.51	302.42	-0.47	-48.98
CC1(C2=NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=NO2)CC1	REAL250004648784	0	32	-1.0	-51.24	290.11	0.16	-51.08
CC1(C2=NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=NO2)CC1	REAL250004648784	1	32	-1.0	-51.25	290.05	0.14	-51.11
CCOCCOCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648785	0	37	-1.0	-47.18	318.88	0.58	-46.60
CCOCCOCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648785	1	37	-1.0	-47.19	318.95	0.59	-46.60
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CCC(=O)NC2=C1	REAL250004648786	0	35	-1.0	-53.27	302.96	1.81	-51.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CCC(=O)NC2=C1	REAL250004648786	1	35	-1.0	-53.26	303.03	1.80	-51.46
CC1=CC=CN2C(CC(=O)NC3(C4=N[N-]N=N4)CC3)=CN=C12	REAL250004648787	0	36	-1.0	-52.47	315.10	4.29	-48.18
CC1=CC=CN2C(CC(=O)NC3(C4=NN=N[N-]4)CC3)=CN=C12	REAL250004648787	1	36	-1.0	-52.49	315.17	4.30	-48.19
CC1(OCC(=O)NC2(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004648788	0	38	-1.0	-49.58	306.90	1.32	-48.26
CC1(OCC(=O)NC2(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004648788	1	38	-1.0	-49.61	306.97	1.33	-48.28
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(CO)C2=CC=CC=C2O1	REAL250004648789	0	34	-1.0	-52.86	303.38	0.25	-52.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(CO)C2=CC=CC=C2O1	REAL250004648789	1	34	-1.0	-52.88	303.47	0.24	-52.64
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1CCCO1	REAL250004648790	0	35	-1.0	-47.49	296.59	2.05	-45.44
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1CCCO1	REAL250004648790	1	35	-1.0	-47.55	296.66	2.05	-45.50
CC1=CSC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648791	0	30	-1.0	-47.88	279.01	3.09	-44.79
CC1=CSC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648791	1	30	-1.0	-47.86	279.08	3.11	-44.75
O=C(C#CC1CCCOC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648792	0	33	-1.0	-46.74	289.52	1.87	-44.87
O=C(C#CC1CCCOC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648792	1	33	-1.0	-46.70	289.58	1.87	-44.83
C=CCCCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648794	0	40	-1.0	-48.56	341.82	6.20	-42.36
C=CCCCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648794	1	40	-1.0	-48.54	341.89	6.19	-42.35
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CC2(F)F)CC1	REAL250004648795	0	37	-1.0	-47.46	303.97	4.16	-43.30
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CCOC(=O)C1=NNC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648797	0	33	-1.0	-49.04	303.62	0.45	-48.59
CCOC(=O)C1=NNC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648797	1	33	-1.0	-49.04	303.71	0.45	-48.59
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O=C(CSC1=CC=CC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004648798	1	30	-1.0	-48.50	284.18	2.20	-46.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2N=CN=C2C=C1	REAL250004648799	0	29	-1.0	-48.93	265.03	3.07	-45.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2N=CN=C2C=C1	REAL250004648799	1	29	-1.0	-48.91	264.96	3.08	-45.83
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC(C=O)=C1	REAL250004648800	0	30	-1.0	-51.58	272.60	0.58	-51.00
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NC(C=O)=C1	REAL250004648800	1	30	-1.0	-51.59	272.69	0.58	-51.01
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCS1(=O)=O	REAL250004648801	0	27	-1.0	-54.51	253.03	-2.56	-57.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCS1(=O)=O	REAL250004648801	1	27	-1.0	-54.51	253.10	-2.55	-57.06
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CC1=NSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004648803	0	28	-1.0	-46.44	260.94	-1.13	-47.57
CC1=NSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004648803	1	28	-1.0	-46.44	261.03	-1.13	-47.57
O=C(C=CC1=NC=CS1)NC1(C2=N[N-]N=N2)CC1	REAL250004648804	0	27	-1.0	-46.30	265.11	1.17	-45.13
O=C(C=CC1=NC=CS1)NC1(C2=NN=N[N-]2)CC1	REAL250004648804	1	27	-1.0	-46.33	265.18	1.18	-45.15
O=C(C=CC1=CC=C(F)C=C1F)NC1(C2=N[N-]N=N2)CC1	REAL250004648805	0	31	-1.0	-48.67	289.39	3.93	-44.74
O=C(C=CC1=CC=C(F)C=C1F)NC1(C2=NN=N[N-]2)CC1	REAL250004648805	1	31	-1.0	-48.67	289.46	3.93	-44.74
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004648806	0	34	-1.0	-48.70	292.59	2.69	-46.01
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004648806	1	34	-1.0	-48.75	292.65	2.68	-46.07
COC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CS1	REAL250004648807	0	28	-1.0	-54.92	264.21	1.90	-53.02
COC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CS1	REAL250004648807	1	28	-1.0	-54.93	264.30	1.89	-53.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1C(F)(F)C12CCC2	REAL250004648808	0	31	-1.0	-50.87	276.37	3.07	-47.80
O=C(NC1(C2=NN=N[N-]2)CC1)C1C(F)(F)C12CCC2	REAL250004648808	1	31	-1.0	-50.88	276.46	3.06	-47.82
COCC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCCC1	REAL250004648809	0	40	-1.0	-48.89	316.80	2.44	-46.45
COCC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCCC1	REAL250004648809	1	40	-1.0	-48.86	316.87	2.47	-46.39
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(CCl)=C1	REAL250004648810	0	30	-1.0	-48.05	280.64	3.90	-44.15
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(CCl)=C1	REAL250004648810	1	30	-1.0	-48.04	280.71	3.92	-44.12
N#CC1=C(N)N(CC(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004648811	0	30	-1.0	-53.56	283.30	0.01	-53.55
N#CC1=C(N)N(CC(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004648811	1	30	-1.0	-53.51	283.22	-0.00	-53.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2C=CNC(=O)C2=C1	REAL250004648812	0	30	-1.0	-59.86	278.94	-0.83	-60.69
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2C=CNC(=O)C2=C1	REAL250004648812	1	30	-1.0	-59.84	279.03	-0.84	-60.68
CCCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(=O)OC	REAL250004648813	0	35	-1.0	-52.76	297.58	3.46	-49.30
CCCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)OC	REAL250004648813	1	35	-1.0	-52.78	297.64	3.47	-49.31
CC(=O)NC1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648814	0	40	-1.0	-46.72	322.74	1.61	-45.11
CC(=O)NC1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648814	1	40	-1.0	-46.72	322.80	1.63	-45.09
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC(C(F)(F)F)N1	REAL250004648815	0	32	-1.0	-49.28	284.03	-0.59	-49.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC(C(F)(F)F)N1	REAL250004648815	1	32	-1.0	-49.25	284.09	-0.56	-49.81
C[C@H](CC1CCCCC1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648816	0	42	-1.0	-48.59	325.61	4.69	-43.90
C[C@H](CC1CCCCC1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648816	1	42	-1.0	-48.56	325.69	4.69	-43.87
CC1=CC(COCC(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004648817	0	33	-1.0	-50.72	298.24	1.87	-48.85
CC1=CC(COCC(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004648817	1	33	-1.0	-50.73	298.31	1.87	-48.86
CC1=CC=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN=C12	REAL250004648818	0	35	-1.0	-48.12	304.45	3.86	-44.26
CC1=CC=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN=C12	REAL250004648818	1	35	-1.0	-48.14	304.38	3.85	-44.29
CCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004648819	0	36	-1.0	-52.41	309.20	2.49	-49.92
CCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004648819	1	36	-1.0	-52.39	309.28	2.48	-49.91
CCCN1N=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004648820	0	36	-1.0	-49.07	307.75	2.40	-46.67
CCCN1N=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004648820	1	36	-1.0	-49.06	307.84	2.39	-46.67
COC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=C1	REAL250004648821	0	38	-1.0	-48.18	324.42	3.65	-44.53
COC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=C1	REAL250004648821	1	38	-1.0	-48.18	324.48	3.65	-44.53
CC(C)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1	REAL250004648822	0	40	-1.0	-49.27	318.42	0.96	-48.31
CC(C)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1	REAL250004648822	1	40	-1.0	-49.37	318.49	0.96	-48.41
O=C(C#CC1CCCCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648823	0	35	-1.0	-47.14	298.58	4.25	-42.89
O=C(C#CC1CCCCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648823	1	35	-1.0	-47.19	298.65	4.25	-42.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Cl)C=NN1	REAL250004648824	0	24	-1.0	-47.04	239.87	-0.50	-47.54
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Cl)C=NN1	REAL250004648824	1	24	-1.0	-47.05	239.97	-0.50	-47.55
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1(O)CCC1	REAL250004648825	0	32	-1.0	-46.89	270.43	-2.72	-49.61
O=C(NC1(C2=NN=N[N-]2)CC1)C(O)C1(O)CCC1	REAL250004648825	1	32	-1.0	-46.90	270.49	-2.74	-49.64
CC(CN1C=CN=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648827	0	33	-1.0	-45.34	285.07	3.11	-42.23
CC(CN1C=CN=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648827	1	33	-1.0	-45.36	285.14	3.11	-42.25
O=C(NC1(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1	REAL250004648828	0	33	-1.0	-48.63	285.63	3.66	-44.97
O=C(NC1(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1	REAL250004648828	1	33	-1.0	-48.62	285.70	3.65	-44.97
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648829	0	40	-1.0	-47.81	324.04	1.61	-46.20
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648829	1	40	-1.0	-47.80	324.11	1.61	-46.19
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(C1)CC1(CCC1)C2	REAL250004648830	0	41	-1.0	-49.51	331.94	5.17	-44.34
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(C1)CC1(CCC1)C2	REAL250004648830	1	41	-1.0	-49.51	332.02	5.18	-44.33
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC=NN21	REAL250004648831	1	30	-1.0	-52.74	268.19	2.59	-50.15
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COC(=O)C1(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648833	0	36	-1.0	-46.90	302.90	2.53	-44.37
COC(=O)C1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648833	1	36	-1.0	-46.92	302.97	2.53	-44.39
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC2=C1COC2	REAL250004648835	0	29	-1.0	-53.78	262.15	-0.09	-53.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC2=C1COC2	REAL250004648835	1	29	-1.0	-53.79	262.22	-0.07	-53.86
CC(C)N1C=NN=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648836	0	35	-1.0	-51.03	303.46	3.47	-47.56
CC(C)N1C=NN=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648836	1	35	-1.0	-51.03	303.52	3.47	-47.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CCC2)N=C1	REAL250004648837	0	36	-1.0	-47.06	303.66	3.38	-43.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CCC2)N=C1	REAL250004648837	1	36	-1.0	-47.06	303.73	3.40	-43.66
N#CC1=CN(CC(=O)NC2(C3=NN=N[N-]3)CC2)N=C1	REAL250004648838	0	28	-1.0	-51.83	269.11	1.20	-50.63
N#CC1=CN(CC(=O)NC2(C3=N[N-]N=N3)CC2)N=C1	REAL250004648838	1	28	-1.0	-51.84	269.05	1.19	-50.65
CC1=CN2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)SC2=N1	REAL250004648839	0	30	-1.0	-46.81	284.98	2.97	-43.84
CC1=CN2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)SC2=N1	REAL250004648839	1	30	-1.0	-46.78	285.07	2.96	-43.82
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1=CC=CC(Cl)=C1	REAL250004648840	0	31	-1.0	-44.07	291.06	1.84	-42.23
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O=C(CC1=CC=C(C2CCC2)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648841	0	40	-1.0	-47.54	333.33	5.90	-41.64
O=C(CC1=CC=C(C2CCC2)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648841	1	40	-1.0	-47.57	333.40	5.90	-41.67
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004648842	0	34	-1.0	-52.08	299.25	2.12	-49.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(O)C=CC=C2C=C1	REAL250004648842	1	34	-1.0	-52.10	299.19	2.13	-49.97
CC1=CC(C2CC2)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648843	0	36	-1.0	-48.08	303.87	3.45	-44.63
CC1=CC(C2CC2)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648843	1	36	-1.0	-48.07	303.94	3.45	-44.62
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CNC(=O)NC2=C1	REAL250004648844	0	34	-1.0	-53.18	296.40	-0.31	-53.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CNC(=O)NC2=C1	REAL250004648844	1	34	-1.0	-53.16	296.47	-0.29	-53.45
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL250004648845	0	33	-1.0	-48.79	290.10	2.90	-45.89
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL250004648845	1	33	-1.0	-48.80	290.17	2.91	-45.89
CC1=CC=C(C(C)CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648846	0	39	-1.0	-46.46	323.82	5.24	-41.22
CC1=CC=C(C(C)CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648846	1	39	-1.0	-46.54	323.89	5.24	-41.30
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)CC1CC1	REAL250004648847	0	30	-1.0	-40.70	271.02	2.82	-37.88
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)CC1CC1	REAL250004648847	1	30	-1.0	-40.69	270.95	2.80	-37.89
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)C1=CN=CS1	REAL250004648848	0	26	-1.0	-43.65	263.76	0.73	-42.92
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CN=CS1	REAL250004648848	1	26	-1.0	-43.64	263.69	0.72	-42.92
CC1=C(C)C2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N2)O1	REAL250004648849	0	34	-1.0	-51.46	300.15	2.00	-49.46
CC1=C(C)C2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N2)O1	REAL250004648849	1	34	-1.0	-51.43	300.25	1.99	-49.44
COC1=NOC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648850	0	30	-1.0	-49.81	275.50	-1.09	-50.90
COC1=NOC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648850	1	30	-1.0	-49.81	275.57	-1.09	-50.90
COCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1	REAL250004648851	0	33	-1.0	-58.60	293.25	-1.45	-60.05
COCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1	REAL250004648851	1	33	-1.0	-58.65	293.32	-1.44	-60.09
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C(C)O1	REAL250004648852	0	33	-1.0	-49.12	288.10	2.90	-46.22
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C(C)O1	REAL250004648852	1	33	-1.0	-49.11	288.18	2.88	-46.23
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CC2(F)F)N=C1	REAL250004648853	0	31	-1.0	-50.02	288.07	2.00	-48.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2CC2(F)F)N=C1	REAL250004648853	1	31	-1.0	-50.00	288.00	2.00	-48.00
CN1N=NC2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C21	REAL250004648854	0	32	-1.0	-52.21	279.66	0.77	-51.44
CN1N=NC2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C21	REAL250004648854	1	32	-1.0	-52.19	279.58	0.77	-51.42
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CCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004648856	0	33	-1.0	-48.31	289.71	2.93	-45.38
CCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004648856	1	33	-1.0	-48.28	289.80	2.91	-45.37
CC1OCCC1(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648857	0	31	-1.0	-47.30	267.50	0.31	-46.99
CC1OCCC1(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648857	1	31	-1.0	-47.32	267.59	0.30	-47.02
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648858	0	34	-1.0	-55.11	300.40	2.29	-52.82
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648858	1	34	-1.0	-55.11	300.48	2.28	-52.83
COC1=CN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004648859	0	34	-1.0	-51.39	292.20	1.67	-49.72
COC1=CN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004648859	1	34	-1.0	-51.40	292.27	1.69	-49.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC2=C1NC=N2	REAL250004648860	0	34	-1.0	-49.62	282.53	2.73	-46.89
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2=C1NC=N2	REAL250004648860	1	34	-1.0	-49.64	282.61	2.74	-46.90
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCN2N=CN=C2C1	REAL250004648861	0	33	-1.0	-47.81	283.63	2.64	-45.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCN2N=CN=C2C1	REAL250004648861	1	33	-1.0	-47.84	283.70	2.64	-45.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC2=C1C(=O)NCC2	REAL250004648862	0	32	-1.0	-70.16	283.02	0.52	-69.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC2=C1C(=O)NCC2	REAL250004648862	1	32	-1.0	-70.16	283.11	0.53	-69.63
O=C(COCCC1=CC=CS1)NC1(C2=N[N-]N=N2)CC1	REAL250004648863	0	34	-1.0	-49.49	313.78	3.57	-45.92
O=C(COCCC1=CC=CS1)NC1(C2=NN=N[N-]2)CC1	REAL250004648863	1	34	-1.0	-49.51	313.84	3.57	-45.94
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCOC1	REAL250004648864	0	38	-1.0	-50.99	309.54	1.10	-49.89
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCOC1	REAL250004648864	1	38	-1.0	-50.99	309.62	1.09	-49.90
CN1C=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C21	REAL250004648865	0	34	-1.0	-53.20	296.82	4.39	-48.81
CN1C=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C21	REAL250004648865	1	34	-1.0	-53.19	296.75	4.40	-48.79
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(F)C=C2OC=CC2=C1	REAL250004648866	0	30	-1.0	-54.25	274.89	2.93	-51.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(F)C=C2OC=CC2=C1	REAL250004648866	1	30	-1.0	-54.27	274.98	2.92	-51.35
CC(=O)N[C@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648867	0	40	-1.0	-54.18	328.45	1.21	-52.97
CC(=O)N[C@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648867	1	40	-1.0	-54.16	328.53	1.21	-52.95
CCC(C)(C)CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648868	0	41	-1.0	-47.06	320.32	4.05	-43.01
CCC(C)(C)CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648868	1	41	-1.0	-47.08	320.40	4.06	-43.02
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004648869	0	37	-1.0	-48.84	316.94	5.22	-43.62
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004648869	1	37	-1.0	-48.82	317.03	5.21	-43.61
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCNS1(=O)=O	REAL250004648870	0	32	-1.0	-53.60	284.37	-3.43	-57.03
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCNS1(=O)=O	REAL250004648870	1	32	-1.0	-53.56	284.46	-3.44	-57.00
CC1OC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C1C	REAL250004648871	0	38	-1.0	-47.59	319.75	3.86	-43.73
CC1OC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C1C	REAL250004648871	1	38	-1.0	-47.53	319.82	3.87	-43.66
CCCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)O1	REAL250004648872	0	36	-1.0	-48.60	309.25	3.65	-44.95
CCCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)O1	REAL250004648872	1	36	-1.0	-48.61	309.32	3.67	-44.94
CN1C=CC2=CC=NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C21	REAL250004648873	0	33	-1.0	-56.80	290.16	1.96	-54.84
CN1C=CC2=CC=NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C21	REAL250004648873	1	33	-1.0	-56.80	290.09	1.97	-54.83
O=C(C=CC1=CC=C(C(F)F)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648874	0	31	-1.0	-47.37	294.70	3.12	-44.25
O=C(C=CC1=CC=C(C(F)F)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004648874	1	31	-1.0	-47.32	294.77	3.12	-44.20
O=C(CCC1=CC=C(Cl)N=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648875	0	32	-1.0	-47.17	300.75	2.76	-44.41
O=C(CCC1=CC=C(Cl)N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648875	1	32	-1.0	-47.16	300.68	2.76	-44.40
CC(C)(C)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648876	0	38	-1.0	-46.72	314.69	3.14	-43.58
CC(C)(C)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648876	1	38	-1.0	-46.69	314.62	3.15	-43.54
O=C(C=C1C2CC3CC(C2)CC1C3)NC1(C2=N[N-]N=N2)CC1	REAL250004648877	0	42	-1.0	-51.67	318.36	4.90	-46.77
O=C(C=C1C2CC3CC(C2)CC1C3)NC1(C2=NN=N[N-]2)CC1	REAL250004648877	1	42	-1.0	-51.65	318.43	4.91	-46.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC12CCOCC2	REAL250004648878	0	41	-1.0	-51.03	313.75	2.47	-48.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC12CCOCC2	REAL250004648878	1	41	-1.0	-51.06	313.82	2.49	-48.57
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NC=CC=C2N=C1	REAL250004648879	0	31	-1.0	-51.04	279.36	1.14	-49.90
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NC=CC=C2N=C1	REAL250004648879	1	31	-1.0	-51.00	279.30	1.14	-49.86
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=CS1	REAL250004648880	0	26	-1.0	-49.83	247.02	0.29	-49.54
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=CS1	REAL250004648880	1	26	-1.0	-49.78	246.95	0.26	-49.52
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CSC2=NC=CN12	REAL250004648881	0	27	-1.0	-48.52	255.25	1.96	-46.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CSC2=NC=CN12	REAL250004648881	1	27	-1.0	-48.51	255.18	1.94	-46.57
O=C(CC1=CC2=CC=CN=C2C=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648882	0	35	-1.0	-52.31	308.76	3.68	-48.63
O=C(CC1=CC2=CC=CN=C2C=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648882	1	35	-1.0	-52.29	308.70	3.67	-48.62
CSC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004648883	0	33	-1.0	-46.29	288.51	2.66	-43.63
CSC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004648883	1	33	-1.0	-46.28	288.57	2.66	-43.62
NC(=O)C1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004648884	0	29	-1.0	-45.90	271.77	-4.24	-50.14
NC(=O)C1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004648884	1	29	-1.0	-45.91	271.70	-4.27	-50.18
CN1N=C(C2CCC2)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648885	0	37	-1.0	-50.46	307.94	3.00	-47.46
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CC1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N=CC=C12	REAL250004648929	0	35	-1.0	-54.62	297.57	3.36	-51.26
CC1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N=CC=C12	REAL250004648929	1	35	-1.0	-54.64	297.51	3.35	-51.29
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CCC(=O)N1CSC[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648941	1	35	-1.0	-56.55	305.43	2.82	-53.73
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CC1=CC(F)=CC=C1C(O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648945	0	34	-1.0	-43.99	291.58	2.20	-41.79
CC1=CC(F)=CC=C1C(O)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648945	1	34	-1.0	-44.03	291.65	2.21	-41.82
CC1=CC=C2C(C(=O)NC3(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL250004648946	0	34	-1.0	-58.65	296.91	3.16	-55.49
CC1=CC=C2C(C(=O)NC3(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL250004648946	1	34	-1.0	-58.68	296.82	3.16	-55.52
CC1CC(=O)NC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648947	0	31	-1.0	-52.33	264.26	-0.91	-53.24
CC1CC(=O)NC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648947	1	31	-1.0	-52.32	264.32	-0.89	-53.21
CCC1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004648948	0	38	-1.0	-46.93	308.26	3.36	-43.57
CCC1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004648948	1	38	-1.0	-46.91	308.33	3.36	-43.55
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=COC2=CC=C1F	REAL250004648949	0	30	-1.0	-55.95	280.72	2.75	-53.20
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COCC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648950	0	30	-1.0	-45.65	276.60	-0.36	-46.01
COCC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648950	1	30	-1.0	-45.66	276.69	-0.37	-46.03
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O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(C1)CCOC2	REAL250004648953	0	35	-1.0	-50.12	289.60	1.30	-48.82
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(C1)CCOC2	REAL250004648953	1	35	-1.0	-50.10	289.69	1.29	-48.81
COCC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004648954	0	41	-1.0	-47.14	318.38	0.47	-46.67
COCC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004648954	1	41	-1.0	-47.18	318.47	0.48	-46.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CCCC2=N1	REAL250004648955	0	33	-1.0	-50.88	285.74	2.65	-48.23
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CCCC2=N1	REAL250004648955	1	33	-1.0	-50.88	285.83	2.64	-48.24
CC(C)(C)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648956	0	37	-1.0	-55.39	312.93	2.88	-52.51
CC(C)(C)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648956	1	37	-1.0	-55.42	312.99	2.90	-52.52
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL250004648957	0	32	-1.0	-56.51	283.66	0.76	-55.75
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL250004648957	1	32	-1.0	-56.47	283.60	0.75	-55.72
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC2=C1CCCC2	REAL250004648958	0	34	-1.0	-53.27	288.19	3.19	-50.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC2=C1CCCC2	REAL250004648958	1	34	-1.0	-53.30	288.28	3.19	-50.11
CCC1(CC)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648959	0	39	-1.0	-44.65	308.02	3.92	-40.73
CCC1(CC)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648959	1	39	-1.0	-44.66	308.09	3.93	-40.73
CC(C)(C)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648960	0	35	-1.0	-44.87	303.99	2.39	-42.48
CC(C)(C)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648960	1	35	-1.0	-44.83	303.92	2.37	-42.46
CC1=NC2=NC=NN2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648961	0	31	-1.0	-49.01	279.66	4.43	-44.58
CC1=NC2=NC=NN2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648961	1	31	-1.0	-48.98	279.74	4.42	-44.56
CC1(C)[C@@H]2C[C@@H](C(=O)NC3(C4=N[N-]N=N4)CC3)C[C@@H]21	REAL250004648962	0	37	-1.0	-46.82	295.66	3.91	-42.91
CC1(C)[C@@H]2C[C@@H](C(=O)NC3(C4=NN=N[N-]4)CC3)C[C@@H]21	REAL250004648962	1	37	-1.0	-46.81	295.72	3.91	-42.90
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O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL250004648963	1	33	-1.0	-52.41	290.99	2.70	-49.71
CC1=CC(C2CCC2)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648964	0	39	-1.0	-48.84	318.90	3.78	-45.06
CC1=CC(C2CCC2)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648964	1	39	-1.0	-48.92	318.98	3.78	-45.14
COC1=CC=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648965	0	30	-1.0	-53.26	265.67	1.27	-51.99
COC1=CC=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648965	1	30	-1.0	-53.22	265.76	1.26	-51.96
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CCNC(=O)C2=C1	REAL250004648966	0	32	-1.0	-58.89	287.87	-2.14	-61.03
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CCNC(=O)C2=C1	REAL250004648966	1	32	-1.0	-58.86	287.78	-2.13	-60.99
CC1=CC2=NC=CN=C2C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648967	0	34	-1.0	-51.06	294.80	1.60	-49.46
CC1=CC2=NC=CN=C2C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648967	1	34	-1.0	-51.06	294.73	1.60	-49.46
CC(=O)OCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648968	0	32	-1.0	-50.41	286.39	2.06	-48.35
CC(=O)OCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648968	1	32	-1.0	-50.42	286.47	2.06	-48.36
CC(=O)NC(CC(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648969	0	39	-1.0	-51.23	318.81	2.05	-49.18
CC(=O)NC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648969	1	39	-1.0	-51.21	318.88	2.06	-49.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2C(CC1)C2(F)F	REAL250004648970	0	37	-1.0	-53.74	294.98	4.09	-49.65
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2C(CC1)C2(F)F	REAL250004648970	1	37	-1.0	-53.74	295.05	4.11	-49.63
CC1=C(C)OC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648971	0	35	-1.0	-47.96	307.01	0.23	-47.73
CC1=C(C)OC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648971	1	35	-1.0	-47.97	307.08	0.24	-47.73
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1CNC2=O	REAL250004648972	0	32	-1.0	-50.32	283.36	-0.09	-50.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1CNC2=O	REAL250004648972	1	32	-1.0	-50.31	283.43	-0.06	-50.37
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004648973	0	41	-1.0	-51.88	332.33	4.68	-47.20
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004648973	1	41	-1.0	-51.88	332.39	4.69	-47.19
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(CC2CCC2)C=C1	REAL250004648974	0	40	-1.0	-48.33	334.24	6.15	-42.18
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(CC2CCC2)C=C1	REAL250004648974	1	40	-1.0	-48.33	334.31	6.15	-42.18
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2COC2)N=N1	REAL250004648975	0	31	-1.0	-47.62	280.28	-2.09	-49.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2COC2)N=N1	REAL250004648975	1	31	-1.0	-47.59	280.19	-2.09	-49.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(CCF)C=C1	REAL250004648976	0	30	-1.0	-51.88	276.62	1.26	-50.62
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(CCF)C=C1	REAL250004648976	1	30	-1.0	-51.85	276.53	1.28	-50.57
O=C(CCC1=CC=C(F)N=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648977	0	32	-1.0	-47.89	290.30	2.28	-45.61
O=C(CCC1=CC=C(F)N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648977	1	32	-1.0	-47.84	290.23	2.28	-45.56
CC1(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC(C)(C)O1	REAL250004648978	0	43	-1.0	-47.27	334.66	3.00	-44.27
CC1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC(C)(C)O1	REAL250004648978	1	43	-1.0	-47.24	334.74	3.00	-44.24
CC1=NC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004648979	0	29	-1.0	-48.40	273.85	1.28	-47.12
CC1=NC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004648979	1	29	-1.0	-48.41	273.92	1.30	-47.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2CCCCC2=N1	REAL250004648980	0	35	-1.0	-49.01	297.88	1.33	-47.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2CCCCC2=N1	REAL250004648980	1	35	-1.0	-49.06	297.95	1.35	-47.71
CC1=C(C)NC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648981	0	34	-1.0	-49.17	301.52	1.87	-47.30
CC1=C(C)NC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648981	1	34	-1.0	-49.18	301.59	1.88	-47.30
CS(C)(=O)=NC(=O)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648982	0	29	-1.0	-61.92	274.74	-2.92	-64.84
CS(C)(=O)=NC(=O)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648982	1	29	-1.0	-61.91	274.81	-2.93	-64.84
O=C(C=CCCCCCCCO)NC1(C2=N[N-]N=N2)CC1	REAL250004648983	0	43	-1.0	-48.63	361.14	2.28	-46.35
O=C(C=CCCCCCCCO)NC1(C2=NN=N[N-]2)CC1	REAL250004648983	1	43	-1.0	-48.64	361.21	2.27	-46.37
O=C(C#CC1CCC(=O)CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004648984	0	34	-1.0	-51.46	301.42	3.35	-48.11
O=C(C#CC1CCC(=O)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648984	1	34	-1.0	-51.47	301.48	3.35	-48.12
COC(=O)[C@@H]1[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1(F)F	REAL250004648985	0	30	-1.0	-44.76	286.46	1.94	-42.82
COC(=O)[C@@H]1[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1(F)F	REAL250004648985	1	30	-1.0	-44.74	286.53	1.94	-42.80
CC(C(F)C(=O)NC1(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004648986	0	29	-1.0	-44.82	265.14	2.01	-42.81
CC(C(F)C(=O)NC1(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004648986	1	29	-1.0	-44.84	265.20	2.01	-42.83
CC1=CNC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648987	0	33	-1.0	-49.27	289.41	1.37	-47.90
CC1=CNC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648987	1	33	-1.0	-49.29	289.48	1.39	-47.90
CCC1=NC=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004648988	0	31	-1.0	-46.23	290.97	1.65	-44.58
CCC1=NC=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004648988	1	31	-1.0	-46.26	291.03	1.67	-44.59
CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N2)S1	REAL250004648989	0	31	-1.0	-50.07	288.85	2.30	-47.77
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N2)S1	REAL250004648989	1	31	-1.0	-50.05	288.76	2.30	-47.75
CCCC(CC)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648991	0	38	-1.0	-47.01	303.64	3.71	-43.30
CCCC(CC)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648991	1	38	-1.0	-46.99	303.71	3.70	-43.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC2=C1CSC2	REAL250004648992	0	29	-1.0	-51.74	272.70	2.11	-49.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC2=C1CSC2	REAL250004648992	1	29	-1.0	-51.75	272.79	2.10	-49.65
CC1=CC=C2OC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C2=C1	REAL250004648993	0	33	-1.0	-55.61	293.22	3.50	-52.11
CC1=CC=C2OC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C2=C1	REAL250004648993	1	33	-1.0	-55.59	293.13	3.51	-52.08
CC1=CC=C2C(C(=O)NC3(C4=NN=N[N-]4)CC3)=COC2=C1	REAL250004648994	0	33	-1.0	-54.63	293.19	3.51	-51.12
CC1=CC=C2C(C(=O)NC3(C4=N[N-]N=N4)CC3)=COC2=C1	REAL250004648994	1	33	-1.0	-54.60	293.10	3.52	-51.08
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648995	0	35	-1.0	-63.43	298.92	-2.50	-65.93
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648995	1	35	-1.0	-63.46	298.99	-2.48	-65.94
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O=C(CC1=CC2=CC=CC=C2N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004648996	1	35	-1.0	-52.95	308.76	3.66	-49.29
CC(C)(C)C1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004648997	0	37	-1.0	-52.50	321.69	0.96	-51.54
CC(C)(C)C1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004648997	1	37	-1.0	-52.44	321.62	0.95	-51.49
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C=CCOC(=O)NCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649001	1	32	-1.0	-45.84	292.21	-1.09	-46.93
COCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)OC=C1	REAL250004649002	0	31	-1.0	-49.08	279.13	0.30	-48.78
COCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)OC=C1	REAL250004649002	1	31	-1.0	-49.05	279.20	0.33	-48.72
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N#CC1=C2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN2N=C1	REAL250004649004	0	30	-1.0	-46.61	285.75	2.02	-44.59
N#CC1=C2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN2N=C1	REAL250004649004	1	30	-1.0	-46.64	285.68	2.01	-44.63
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COC1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649007	1	30	-1.0	-47.07	266.65	0.11	-46.96
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COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CC(F)(F)C1	REAL250004649011	0	34	-1.0	-50.04	299.86	2.82	-47.22
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CC(F)(F)C1	REAL250004649011	1	34	-1.0	-50.08	299.93	2.82	-47.26
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CC(C)(C)C1(C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649013	0	42	-1.0	-48.54	320.79	4.08	-44.46
CC(C)(C)C1(C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649013	1	42	-1.0	-48.54	320.85	4.10	-44.44
CN1CCC2=CC(CC(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C21	REAL250004649014	0	39	-1.0	-49.30	328.35	3.15	-46.15
CN1CCC2=CC(CC(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C21	REAL250004649014	1	39	-1.0	-49.32	328.42	3.15	-46.17
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CC1(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)C1(F)F	REAL250004649017	1	30	-1.0	-42.75	264.69	2.41	-40.34
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CC(C(=O)NC1(C2=N[N-]N=N2)CC1)S(N)(=O)=O	REAL250004649020	0	28	-1.0	-59.24	261.39	-4.63	-63.87
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)S(N)(=O)=O	REAL250004649020	1	28	-1.0	-59.24	261.46	-4.61	-63.85
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CC1=CNC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649023	0	31	-1.0	-49.21	281.81	1.36	-47.85
CC1=CNC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649023	1	31	-1.0	-49.21	281.87	1.36	-47.85
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N#CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004649027	0	31	-1.0	-46.02	293.43	3.72	-42.30
N#CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004649027	1	31	-1.0	-46.04	293.50	3.73	-42.31
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O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2(C1)CCOCC2	REAL250004649029	1	36	-1.0	-47.07	301.65	2.23	-44.84
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C=CC=N1	REAL250004649030	0	33	-1.0	-46.81	283.43	2.01	-44.80
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C=CC=N1	REAL250004649030	1	33	-1.0	-46.80	283.36	2.01	-44.79
CCOCC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004649031	0	33	-1.0	-51.47	307.36	0.20	-51.27
CCOCC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004649031	1	33	-1.0	-51.52	307.43	0.22	-51.30
CC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL250004649032	0	32	-1.0	-49.41	288.89	3.12	-46.29
CC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL250004649032	1	32	-1.0	-49.42	288.96	3.11	-46.31
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(CC(=O)N2)C1	REAL250004649033	0	32	-1.0	-54.00	280.34	-1.46	-55.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(CC(=O)N2)C1	REAL250004649033	1	32	-1.0	-54.03	280.43	-1.47	-55.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NN=NN2C1	REAL250004649034	0	32	-1.0	-46.61	276.75	0.36	-46.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NN=NN2C1	REAL250004649034	1	32	-1.0	-46.64	276.81	0.36	-46.28
COCN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649035	0	31	-1.0	-51.76	274.18	-0.82	-52.58
COCN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649035	1	31	-1.0	-51.76	274.11	-0.85	-52.61
CC1=C(C)NC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649036	0	36	-1.0	-49.96	310.01	1.91	-48.05
CC1=C(C)NC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649036	1	36	-1.0	-49.99	310.08	1.92	-48.07
O=C(CN1N=NN=C1C1CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004649037	0	32	-1.0	-50.38	290.22	1.23	-49.15
O=C(CN1N=NN=C1C1CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004649037	1	32	-1.0	-50.37	290.29	1.23	-49.14
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1=CC=C(F)C(F)=C1	REAL250004649038	0	31	-1.0	-46.84	287.52	1.49	-45.35
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NC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1CCO	REAL250004649039	0	33	-1.0	-49.38	291.46	-3.24	-52.62
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1CCO	REAL250004649039	1	33	-1.0	-49.38	291.37	-3.21	-52.59
CCN1C=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649040	0	30	-1.0	-53.41	284.78	1.66	-51.75
CCN1C=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649040	1	30	-1.0	-53.40	284.71	1.65	-51.75
CC1(C)OC[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004649041	0	32	-1.0	-51.30	277.06	0.54	-50.76
CC1(C)OC[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004649041	1	32	-1.0	-51.32	277.15	0.53	-50.79
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O=C(C=CC1=CC=NC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649042	1	29	-1.0	-47.50	270.11	2.12	-45.38
COC1=NSC(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649043	0	31	-1.0	-45.94	297.55	-0.15	-46.09
COC1=NSC(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649043	1	31	-1.0	-45.97	297.62	-0.14	-46.11
CC(C)C1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CO1	REAL250004649044	0	32	-1.0	-47.93	285.97	-0.82	-48.75
CC(C)C1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CO1	REAL250004649044	1	32	-1.0	-47.95	286.03	-0.80	-48.75
COC1(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1	REAL250004649045	0	34	-1.0	-46.14	288.75	2.02	-44.12
COC1(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1	REAL250004649045	1	34	-1.0	-46.14	288.65	2.02	-44.12
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL250004649046	0	40	-1.0	-46.11	311.54	2.10	-44.01
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL250004649046	1	40	-1.0	-46.15	311.61	2.11	-44.04
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O=C(NC1(C2=NN=N[N-]2)CC1)C(F)CC1CCCC1	REAL250004649048	1	36	-1.0	-43.90	297.91	3.69	-40.21
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CC(C)N1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL250004649051	0	40	-1.0	-45.96	319.92	2.38	-43.58
CC(C)N1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL250004649051	1	40	-1.0	-46.01	319.98	2.38	-43.63
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CNC(=O)C2=C1	REAL250004649052	0	32	-1.0	-60.74	285.33	0.12	-60.62
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CNC(=O)C2=C1	REAL250004649052	1	32	-1.0	-60.76	285.40	0.11	-60.65
NC(=O)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649053	0	27	-1.0	-46.96	260.22	-3.42	-50.38
NC(=O)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649053	1	27	-1.0	-47.00	260.16	-3.43	-50.43
O=C(CC1CCCC2(CCC2)O1)NC1(C2=N[N-]N=N2)CC1	REAL250004649054	0	41	-1.0	-51.79	327.55	3.98	-47.81
O=C(CC1CCCC2(CCC2)O1)NC1(C2=NN=N[N-]2)CC1	REAL250004649054	1	41	-1.0	-51.80	327.64	3.97	-47.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1CNC(=O)CC12CCC2	REAL250004649055	0	38	-1.0	-56.05	305.81	0.59	-55.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1CNC(=O)CC12CCC2	REAL250004649055	1	38	-1.0	-56.06	305.88	0.59	-55.47
COC1C[C@@H]2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)C[C@H]12	REAL250004649056	0	38	-1.0	-52.61	307.93	2.17	-50.44
COC1C[C@@H]2CC(C(=O)NC3(C4=NN=N[N-]4)CC3)C[C@H]12	REAL250004649056	1	38	-1.0	-52.57	308.01	2.16	-50.41
CC1=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C2O1	REAL250004649057	0	33	-1.0	-55.05	290.15	3.65	-51.40
CC1=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C2O1	REAL250004649057	1	33	-1.0	-54.99	290.06	3.66	-51.33
O=C(NC1(C2=N[N-]N=N2)CC1)[C@H]1CCC2=CC=CC=C21	REAL250004649058	0	34	-1.0	-47.29	285.95	4.63	-42.66
O=C(NC1(C2=NN=N[N-]2)CC1)[C@H]1CCC2=CC=CC=C21	REAL250004649058	1	34	-1.0	-47.31	286.03	4.64	-42.67
CC1(C)C2CCC1(CC(=O)NC1(C3=N[N-]N=N3)CC1)CC2	REAL250004649059	0	43	-1.0	-49.01	320.23	4.43	-44.58
CC1(C)C2CCC1(CC(=O)NC1(C3=NN=N[N-]3)CC1)CC2	REAL250004649059	1	43	-1.0	-49.02	320.32	4.42	-44.60
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CN=C2NC=C1	REAL250004649060	0	30	-1.0	-65.41	267.38	1.88	-63.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CN=C2NC=C1	REAL250004649060	1	30	-1.0	-65.37	267.28	1.88	-63.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CNC2=NC=C1	REAL250004649060	1	30	-1.0	-54.23	267.56	1.76	-52.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CNC2=NC=C1	REAL250004649060	1	30	-1.0	-54.20	267.47	1.78	-52.42
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CCC2)CC1	REAL250004649061	0	40	-1.0	-44.15	311.05	4.52	-39.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2(CCC2)CC1	REAL250004649061	1	40	-1.0	-44.15	311.11	4.54	-39.61
CCC1=CC2=C(OCC2)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649062	0	38	-1.0	-56.99	320.86	4.71	-52.28
CCC1=CC2=C(OCC2)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649062	1	38	-1.0	-57.02	320.95	4.70	-52.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CSC2=CC=C1	REAL250004649063	0	30	-1.0	-52.10	275.77	3.82	-48.28
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CSC2=CC=C1	REAL250004649063	1	30	-1.0	-52.10	275.68	3.83	-48.27
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(OCC2CC2)=C1	REAL250004649064	0	38	-1.0	-51.53	326.14	4.44	-47.09
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(OCC2CC2)=C1	REAL250004649064	1	38	-1.0	-51.53	326.21	4.43	-47.10
CC(F)(F)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649065	0	33	-1.0	-49.20	296.33	4.15	-45.05
CC(F)(F)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649065	1	33	-1.0	-49.12	296.40	4.15	-44.97
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C=CSC2=C1	REAL250004649066	0	30	-1.0	-48.79	279.05	4.02	-44.77
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C=CSC2=C1	REAL250004649066	1	30	-1.0	-48.82	278.98	4.01	-44.81
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=N1	REAL250004649067	0	33	-1.0	-44.98	291.09	-0.04	-45.02
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=N1	REAL250004649067	1	33	-1.0	-44.95	291.15	-0.02	-44.97
CC1=NC=C2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)CCC2=N1	REAL250004649068	0	38	-1.0	-46.70	319.16	2.94	-43.76
CC1=NC=C2CC(C(=O)NC3(C4=NN=N[N-]4)CC3)CCC2=N1	REAL250004649068	1	38	-1.0	-46.70	319.22	2.94	-43.76
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)OC1=CC=CC=C1	REAL250004649069	0	31	-1.0	-46.14	286.15	3.33	-42.81
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)OC1=CC=CC=C1	REAL250004649069	1	31	-1.0	-46.09	286.08	3.33	-42.76
COCCC(C)(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649070	0	39	-1.0	-45.92	308.96	1.76	-44.16
COCCC(C)(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649070	1	39	-1.0	-45.93	309.04	1.76	-44.17
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C(F)F)=N1	REAL250004649071	0	26	-1.0	-49.09	256.80	-1.93	-51.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C(F)F)=N1	REAL250004649071	1	26	-1.0	-49.09	256.87	-1.90	-50.99
O=C(CC1COCCO1)NC1(C2=N[N-]N=N2)CC1	REAL250004649072	0	32	-1.0	-53.21	272.59	0.13	-53.08
O=C(CC1COCCO1)NC1(C2=NN=N[N-]2)CC1	REAL250004649072	1	32	-1.0	-53.23	272.69	0.13	-53.10
CC(C)(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(C)(F)F	REAL250004649073	0	35	-1.0	-43.85	284.81	2.77	-41.08
CC(C)(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(C)(F)F	REAL250004649073	1	35	-1.0	-43.89	284.89	2.77	-41.12
O=C(CCC=CBr)NC1(C2=N[N-]N=N2)CC1	REAL250004649074	0	27	-1.0	-45.47	263.65	2.36	-43.11
O=C(CCC=CBr)NC1(C2=NN=N[N-]2)CC1	REAL250004649074	1	27	-1.0	-45.49	263.73	2.36	-43.13
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(C)C=N1	REAL250004649075	0	32	-1.0	-49.31	274.72	1.87	-47.44
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(C)C=N1	REAL250004649075	1	32	-1.0	-49.32	274.78	1.88	-47.44
CC1=CC(F)=CC(C(C)C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649076	0	36	-1.0	-47.15	311.15	4.59	-42.56
CC1=CC(F)=CC(C(C)C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649076	1	36	-1.0	-47.16	311.21	4.59	-42.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC2=CC=NN21	REAL250004649077	0	34	-1.0	-51.64	286.91	2.22	-49.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2=CC=NN21	REAL250004649077	1	34	-1.0	-51.66	287.00	2.21	-49.45
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2CCCC2=C1	REAL250004649078	0	33	-1.0	-48.09	283.65	2.72	-45.37
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2CCCC2=C1	REAL250004649078	1	33	-1.0	-48.10	283.72	2.72	-45.38
CC1=NC(C2CC2)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649079	0	35	-1.0	-48.03	300.10	2.83	-45.20
CC1=NC(C2CC2)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649079	1	35	-1.0	-47.99	300.17	2.83	-45.16
CC1(C)CCOC1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649080	0	37	-1.0	-52.28	297.45	2.07	-50.21
CC1(C)CCOC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649080	1	37	-1.0	-52.27	297.52	2.10	-50.17
CC1=NN=C(CCC(=O)NC2(C3=N[N-]N=N3)CC2)N1C	REAL250004649081	0	35	-1.0	-49.44	303.51	2.94	-46.50
CC1=NN=C(CCC(=O)NC2(C3=NN=N[N-]3)CC2)N1C	REAL250004649081	1	35	-1.0	-49.39	303.58	2.95	-46.44
CCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004649082	0	34	-1.0	-47.61	291.07	1.75	-45.86
CCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004649082	1	34	-1.0	-47.62	291.15	1.75	-45.87
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004649083	0	38	-1.0	-50.16	296.43	1.91	-48.25
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004649083	1	38	-1.0	-50.17	296.49	1.92	-48.25
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CC1C1C2C1(F)F	REAL250004649084	0	35	-1.0	-46.14	285.14	3.73	-42.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CC1C1C2C1(F)F	REAL250004649084	1	35	-1.0	-46.13	285.21	3.73	-42.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC2=NC=CN=C12	REAL250004649085	0	30	-1.0	-59.15	272.50	0.42	-58.73
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC2=NC=CN=C12	REAL250004649085	1	30	-1.0	-59.12	272.41	0.44	-58.68
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004649086	0	34	-1.0	-53.73	285.75	3.53	-50.20
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004649086	1	34	-1.0	-53.72	285.84	3.52	-50.20
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL250004649087	0	31	-1.0	-47.32	278.44	1.13	-46.19
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL250004649087	1	31	-1.0	-47.30	278.51	1.15	-46.15
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=C(F)C=CC2=NN1	REAL250004649088	0	30	-1.0	-50.90	276.56	1.26	-49.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=C(F)C=CC2=NN1	REAL250004649088	1	30	-1.0	-50.86	276.48	1.27	-49.59
CCC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004649089	0	33	-1.0	-44.80	308.62	1.96	-42.84
CCC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004649089	1	33	-1.0	-44.80	308.69	1.94	-42.86
O=C(CSC1=CC=CC(F)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649090	0	31	-1.0	-49.04	292.70	3.84	-45.20
O=C(CSC1=CC=CC(F)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649090	1	31	-1.0	-49.08	292.77	3.84	-45.24
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(=O)NC2=NC=CC=C21	REAL250004649091	0	34	-1.0	-51.85	297.70	0.58	-51.27
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(=O)NC2=NC=CC=C21	REAL250004649091	1	34	-1.0	-51.84	297.63	0.56	-51.28
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NS1	REAL250004649092	0	26	-1.0	-45.71	246.28	0.96	-44.75
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NS1	REAL250004649092	1	26	-1.0	-45.69	246.37	0.95	-44.74
CC1=CC(C)=C2NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=C1	REAL250004649093	0	37	-1.0	-49.69	319.46	3.75	-45.94
CC1=CC(C)=C2NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=C1	REAL250004649093	1	37	-1.0	-49.67	319.36	3.75	-45.92
CC1=NC2=C(NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)S1	REAL250004649094	0	30	-1.0	-51.10	283.74	0.36	-50.74
CC1=NC2=C(NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)S1	REAL250004649094	1	30	-1.0	-51.16	283.82	0.35	-50.81
CC1(C)OCC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NN=C21	REAL250004649095	0	35	-1.0	-48.18	302.28	-0.43	-48.61
CC1(C)OCC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NN=C21	REAL250004649095	1	35	-1.0	-48.19	302.37	-0.44	-48.63
O=C(C=CC1=CN=CC=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649096	0	29	-1.0	-48.07	269.72	0.46	-47.61
O=C(C=CC1=CN=CC=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649096	1	29	-1.0	-48.07	269.79	0.46	-47.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CCCC2)N=C1	REAL250004649097	0	37	-1.0	-46.83	310.09	3.04	-43.79
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2CCCC2)N=C1	REAL250004649097	1	37	-1.0	-46.79	310.02	3.02	-43.77
O=C(CCN1C=CC2=CC=CN=C21)NC1(C2=NN=N[N-]2)CC1	REAL250004649098	0	36	-1.0	-47.60	316.77	4.48	-43.12
O=C(CCN1C=CC2=CC=CN=C21)NC1(C2=N[N-]N=N2)CC1	REAL250004649098	1	36	-1.0	-47.57	316.70	4.48	-43.09
CCCC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004649099	0	32	-1.0	-49.69	294.83	1.71	-47.98
CCCC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004649099	1	32	-1.0	-49.74	294.90	1.74	-48.00
CC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL250004649100	0	30	-1.0	-50.74	276.52	1.71	-49.03
CC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL250004649100	1	30	-1.0	-50.80	276.59	1.71	-49.09
CC(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004649101	0	37	-1.0	-49.88	311.89	2.64	-47.24
CC(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004649101	1	37	-1.0	-49.86	311.98	2.63	-47.23
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(F)C(F)=C1	REAL250004649102	0	26	-1.0	-43.38	250.91	0.85	-42.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(F)C(F)=C1	REAL250004649102	1	26	-1.0	-43.37	250.84	0.83	-42.54
COC1=CC=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NC2=N1	REAL250004649103	0	34	-1.0	-48.39	303.69	0.21	-48.18
COC1=CC=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NC2=N1	REAL250004649103	1	34	-1.0	-48.36	303.78	0.20	-48.16
COC(=O)C(OC)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649104	0	30	-1.0	-47.77	273.40	1.02	-46.75
COC(=O)C(OC)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649104	1	30	-1.0	-47.83	273.47	1.02	-46.81
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649105	0	33	-1.0	-54.10	292.16	1.99	-52.11
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649105	1	33	-1.0	-54.12	292.24	2.00	-52.12
CC(C)(C)C1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004649106	0	36	-1.0	-49.84	307.38	1.65	-48.19
CC(C)(C)C1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004649106	1	36	-1.0	-49.85	307.47	1.65	-48.20
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CCC2=CC=CC=C21	REAL250004649107	0	34	-1.0	-47.36	288.55	4.25	-43.11
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC2=CC=CC=C21	REAL250004649107	1	34	-1.0	-47.37	288.63	4.25	-43.12
CCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004649108	0	33	-1.0	-56.44	289.08	2.37	-54.07
CCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004649108	1	33	-1.0	-56.45	289.15	2.38	-54.07
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CCOC2=C1	REAL250004649109	0	32	-1.0	-52.19	278.96	2.48	-49.71
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CCOC2=C1	REAL250004649109	1	32	-1.0	-52.19	279.03	2.48	-49.71
COC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1F	REAL250004649110	0	30	-1.0	-57.55	274.10	0.18	-57.37
COC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1F	REAL250004649110	1	30	-1.0	-57.56	274.03	0.15	-57.41
N#CCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649111	0	28	-1.0	-62.42	269.45	0.86	-61.56
N#CCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649111	1	28	-1.0	-62.40	269.36	0.88	-61.52
O=C(CC1C[C@@H]2COC[C@H]12)NC1(C2=N[N-]N=N2)CC1	REAL250004649112	0	35	-1.0	-47.39	284.58	1.38	-46.01
O=C(CC1C[C@@H]2COC[C@H]12)NC1(C2=NN=N[N-]2)CC1	REAL250004649112	1	35	-1.0	-47.41	284.68	1.38	-46.03
COC1=CC=C(C(C)=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004649113	0	38	-1.0	-46.07	326.74	3.94	-42.13
COC1=CC=C(C(C)=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004649113	1	38	-1.0	-46.08	326.82	3.94	-42.14
O=C(CN1N=NC(C2CC2)=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649114	0	32	-1.0	-52.73	290.88	0.87	-51.86
O=C(CN1N=NC(C2CC2)=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649114	1	32	-1.0	-52.78	290.96	0.88	-51.90
CC1=CC(=O)N(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004649115	0	35	-1.0	-48.28	309.39	2.72	-45.56
CC1=CC(=O)N(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004649115	1	35	-1.0	-48.28	309.46	2.73	-45.55
N#CCN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649116	0	28	-1.0	-54.07	264.77	0.82	-53.25
N#CCN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649116	1	28	-1.0	-54.07	264.69	0.83	-53.24
O=C(CC1=NN=C2COCCN12)NC1(C2=N[N-]N=N2)CC1	REAL250004649117	0	34	-1.0	-53.52	296.39	0.76	-52.76
O=C(CC1=NN=C2COCCN12)NC1(C2=NN=N[N-]2)CC1	REAL250004649117	1	34	-1.0	-53.50	296.45	0.77	-52.73
CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649118	0	32	-1.0	-50.20	269.28	1.31	-48.89
CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649118	1	32	-1.0	-50.14	269.21	1.28	-48.86
NC1=CC=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649119	0	29	-1.0	-45.81	269.00	1.22	-44.59
NC1=CC=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649119	1	29	-1.0	-45.82	269.09	1.21	-44.61
NC1=C(Cl)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649120	0	29	-1.0	-49.25	265.69	1.08	-48.17
NC1=C(Cl)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649120	1	29	-1.0	-49.24	265.75	1.10	-48.14
NC1=CC(F)=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649121	0	29	-1.0	-43.21	265.81	0.81	-42.40
NC1=CC(F)=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649121	1	29	-1.0	-43.24	265.89	0.81	-42.43
NC1=C(F)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649122	0	29	-1.0	-50.13	256.76	0.60	-49.53
NC1=C(F)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649122	1	29	-1.0	-50.13	256.83	0.62	-49.51
CC1=CC=C(F)C(N)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649123	0	32	-1.0	-45.35	284.49	1.03	-44.32
CC1=CC=C(F)C(N)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649123	1	32	-1.0	-45.39	284.56	1.04	-44.35
CC1=CC(F)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649124	0	32	-1.0	-45.66	278.23	1.53	-44.13
CC1=CC(F)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649124	1	32	-1.0	-45.65	278.30	1.54	-44.11
CC1=CC(Cl)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649125	0	32	-1.0	-45.52	288.54	1.98	-43.54
CC1=CC(Cl)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649125	1	32	-1.0	-45.52	288.61	1.97	-43.55
CC1=CC(Cl)=C(N)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649126	0	32	-1.0	-47.16	288.22	1.94	-45.22
CC1=CC(Cl)=C(N)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649126	1	32	-1.0	-47.17	288.31	1.93	-45.24
NC1=CC(F)=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649127	0	29	-1.0	-43.00	275.67	1.27	-41.73
NC1=CC(F)=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649127	1	29	-1.0	-43.04	275.75	1.26	-41.78
CC1=C(F)C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649128	0	32	-1.0	-46.46	276.54	1.46	-45.00
CC1=C(F)C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649128	1	32	-1.0	-46.45	276.61	1.47	-44.98
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(N)=C1Cl	REAL250004649129	0	32	-1.0	-47.78	286.40	1.83	-45.95
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(N)=C1Cl	REAL250004649129	1	32	-1.0	-47.76	286.47	1.84	-45.92
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(N)C=C1F	REAL250004649130	0	32	-1.0	-45.56	279.41	1.42	-44.14
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(N)C=C1F	REAL250004649130	1	32	-1.0	-45.57	279.49	1.42	-44.15
NC1=C(Cl)C=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649131	0	29	-1.0	-44.00	273.66	1.33	-42.67
NC1=C(Cl)C=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649131	1	29	-1.0	-44.03	273.73	1.33	-42.70
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(N)=C1F	REAL250004649132	0	33	-1.0	-51.75	285.91	-0.08	-51.83
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(N)=C1F	REAL250004649132	1	33	-1.0	-51.78	285.98	-0.06	-51.84
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CC(Cl)=C1F	REAL250004649133	0	29	-1.0	-46.91	274.70	1.25	-45.66
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CC(Cl)=C1F	REAL250004649133	1	29	-1.0	-46.92	274.77	1.26	-45.66
CC1=C(F)C=CC(N)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649134	0	32	-1.0	-48.44	284.82	0.93	-47.51
CC1=C(F)C=CC(N)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649134	1	32	-1.0	-48.48	284.89	0.94	-47.54
O=C(CC1=CC=C(O)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649135	0	30	-1.0	-55.10	271.61	-1.17	-56.27
O=C(CC1=CC=C(O)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649135	1	30	-1.0	-55.10	271.69	-1.15	-56.25
O=C(NC1=NC=CN1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649137	0	28	-1.0	-43.50	259.19	0.30	-43.20
O=C(NC1=NC=CN1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649137	1	28	-1.0	-43.46	259.12	0.31	-43.15
O=C(NC1(C2=N[N-]N=N2)CC1)C12CC(C1)CN2C1CC1	REAL250004649138	0	37	-1.0	-49.37	298.15	1.26	-48.11
O=C(NC1(C2=NN=N[N-]2)CC1)C12CC(C1)CN2C1CC1	REAL250004649138	1	37	-1.0	-49.39	298.22	1.25	-48.14
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)=CC1=CNC=N1	REAL250004649139	0	28	-1.0	-51.78	263.53	1.86	-49.92
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)=CC1=CNC=N1	REAL250004649139	1	28	-1.0	-51.75	263.60	1.87	-49.88
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2=CC=CC=C2NC1=O	REAL250004649140	0	35	-1.0	-46.80	303.41	1.47	-45.33
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2=CC=CC=C2NC1=O	REAL250004649140	1	35	-1.0	-46.80	303.50	1.47	-45.33
O=C(C=CCOC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649141	0	35	-1.0	-48.79	310.70	3.53	-45.26
O=C(C=CCOC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649141	1	35	-1.0	-48.80	310.77	3.55	-45.25
O=C(CC1CC(=O)NC(=O)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649142	0	33	-1.0	-53.80	286.61	-1.13	-54.93
O=C(CC1CC(=O)NC(=O)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649142	1	33	-1.0	-53.82	286.68	-1.13	-54.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC2=NNC=C21	REAL250004649143	0	29	-1.0	-51.45	263.41	0.48	-50.97
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC2=NNC=C21	REAL250004649143	1	29	-1.0	-51.43	263.32	0.50	-50.93
O=C(CC1=CC=CC(F)=C1O)NC1(C2=N[N-]N=N2)CC1	REAL250004649144	0	31	-1.0	-49.51	283.19	0.59	-48.92
O=C(CC1=CC=CC(F)=C1O)NC1(C2=NN=N[N-]2)CC1	REAL250004649144	1	31	-1.0	-49.55	283.27	0.60	-48.95
CN1C(=S)NN=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649145	0	27	-1.0	-42.87	260.37	1.19	-41.68
CN1C(=S)NN=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649145	1	27	-1.0	-42.89	260.46	1.18	-41.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CC(O)CC(C2)C1	REAL250004649146	0	41	-1.0	-51.20	313.75	1.17	-50.03
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CC(O)CC(C2)C1	REAL250004649146	1	41	-1.0	-51.17	313.84	1.17	-50.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(C2=CC=NC=C2)=NN1	REAL250004649147	0	33	-1.0	-48.06	299.71	0.77	-47.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(C2=CC=NC=C2)=NN1	REAL250004649147	1	33	-1.0	-48.04	299.80	0.76	-47.28
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CNN=C2S1	REAL250004649148	0	27	-1.0	-52.33	261.73	0.34	-51.99
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CNN=C2S1	REAL250004649148	1	27	-1.0	-52.34	261.83	0.32	-52.02
CC1=CN2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)CCC2=N1	REAL250004649149	0	37	-1.0	-46.58	309.87	3.35	-43.23
CC1=CN2CC(C(=O)NC3(C4=NN=N[N-]4)CC3)CCC2=N1	REAL250004649149	1	37	-1.0	-46.61	309.94	3.36	-43.25
O=C(C[C@@H]1CCC[C@H]1O)NC1(C2=N[N-]N=N2)CC1	REAL250004649150	0	34	-1.0	-50.21	282.62	-0.38	-50.59
O=C(C[C@@H]1CCC[C@H]1O)NC1(C2=NN=N[N-]2)CC1	REAL250004649150	1	34	-1.0	-50.22	282.69	-0.38	-50.60
O=C(C[C@@H]1COC[C@H]1O)NC1(C2=N[N-]N=N2)CC1	REAL250004649151	0	32	-1.0	-55.27	272.70	-3.10	-58.37
O=C(C[C@@H]1COC[C@H]1O)NC1(C2=NN=N[N-]2)CC1	REAL250004649151	1	32	-1.0	-55.30	272.78	-3.10	-58.40
CC1=NC=C2C=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN21	REAL250004649152	1	33	-1.0	-47.26	291.39	3.89	-43.37
C#CC[C@]1(O)C[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649153	0	33	-1.0	-53.69	290.48	0.02	-53.67
C#CC[C@]1(O)C[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649153	1	33	-1.0	-53.66	290.57	0.01	-53.65
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649154	0	30	-1.0	-47.43	285.59	2.15	-45.28
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649154	1	30	-1.0	-47.44	285.65	2.17	-45.27
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004649155	0	33	-1.0	-55.04	283.33	3.39	-51.65
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL250004649155	1	33	-1.0	-55.03	283.39	3.40	-51.63
O=C(NC1(C2=NN=N[N-]2)CC1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL250004649156	0	33	-1.0	-52.35	287.43	4.18	-48.17
O=C(NC1(C2=N[N-]N=N2)CC1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL250004649156	1	33	-1.0	-52.35	287.34	4.18	-48.17
CCN1CCOCC1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649157	0	39	-1.0	-51.89	307.94	-0.91	-52.80
CCN1CCOCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649157	1	39	-1.0	-51.92	308.02	-0.93	-52.85
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC(F)=CC=C21	REAL250004649158	0	33	-1.0	-54.65	289.76	4.69	-49.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC(F)=CC=C21	REAL250004649158	1	33	-1.0	-54.60	289.70	4.67	-49.93
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2OC=CC2=C1	REAL250004649159	0	29	-1.0	-48.93	264.94	-0.07	-49.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2OC=CC2=C1	REAL250004649159	1	29	-1.0	-48.89	264.85	-0.08	-48.97
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1C1CC1(F)F	REAL250004649160	0	31	-1.0	-51.00	284.19	2.23	-48.77
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1C1CC1(F)F	REAL250004649160	1	31	-1.0	-50.96	284.10	2.23	-48.73
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649161	0	40	-1.0	-54.32	324.59	2.57	-51.75
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649161	1	40	-1.0	-54.30	324.66	2.59	-51.71
CCC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004649162	0	39	-1.0	-45.81	307.34	4.19	-41.62
CCC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004649162	1	39	-1.0	-45.82	307.40	4.19	-41.63
CC1=NC=CC=C1C=CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649163	0	33	-1.0	-48.29	290.22	2.56	-45.73
CC1=NC=CC=C1C=CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649163	1	33	-1.0	-48.32	290.29	2.56	-45.76
CC1=CN=CC=C1C=CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649164	0	33	-1.0	-47.24	290.35	2.58	-44.66
CC1=CN=CC=C1C=CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649164	1	33	-1.0	-47.24	290.42	2.58	-44.66
O=C(C=CC1=CC=NC(Cl)=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649165	0	30	-1.0	-47.59	289.41	2.50	-45.09
O=C(C=CC1=CC=NC(Cl)=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649165	1	30	-1.0	-47.61	289.47	2.50	-45.11
COC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649166	0	33	-1.0	-50.44	281.30	0.09	-50.35
COC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649166	1	33	-1.0	-50.45	281.22	0.09	-50.36
COC1=CC=C(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649167	0	36	-1.0	-47.27	307.36	0.34	-46.93
COC1=CC=C(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649167	1	36	-1.0	-47.31	307.43	0.35	-46.96
CC(=CC1=CC=CS1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649168	0	31	-1.0	-46.97	276.96	3.26	-43.71
CC(=CC1=CC=CS1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649168	1	31	-1.0	-47.02	277.03	3.28	-43.74
COC1=CSC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1OC	REAL250004649169	0	32	-1.0	-53.60	295.81	1.48	-52.12
COC1=CSC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1OC	REAL250004649169	1	32	-1.0	-53.65	295.90	1.48	-52.17
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CCC(C2)C1	REAL250004649170	0	37	-1.0	-44.13	262.33	3.90	-40.23
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CCC(C2)C1	REAL250004649170	1	37	-1.0	-44.18	262.36	3.91	-40.27
CC1=CC2=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL250004649171	0	35	-1.0	-48.15	305.79	3.67	-44.48
CC1=CC2=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL250004649171	1	35	-1.0	-48.20	305.86	3.66	-44.54
COC1=C(F)C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1F	REAL250004649172	0	31	-1.0	-54.60	287.02	2.07	-52.53
COC1=C(F)C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1F	REAL250004649172	1	31	-1.0	-54.63	287.11	2.06	-52.57
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=CC(C2=COC=C2)=C1	REAL250004649173	0	33	-1.0	-47.96	297.22	2.45	-45.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=CC(C2=COC=C2)=C1	REAL250004649173	1	33	-1.0	-47.95	297.16	2.45	-45.50
CC1(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL250004649174	0	36	-1.0	-53.76	302.64	-0.49	-54.25
CC1(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL250004649174	1	36	-1.0	-53.79	302.71	-0.49	-54.28
CCCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)OC=N1	REAL250004649175	0	32	-1.0	-48.19	282.99	-0.65	-48.84
CCCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)OC=N1	REAL250004649175	1	32	-1.0	-48.16	283.07	-0.67	-48.83
COC1=CC(F)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1N	REAL250004649176	0	33	-1.0	-46.52	287.11	0.17	-46.35
COC1=CC(F)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1N	REAL250004649176	1	33	-1.0	-46.51	287.19	0.16	-46.35
CC1=CC=C(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649177	0	32	-1.0	-51.18	276.55	1.90	-49.28
CC1=CC=C(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649177	1	32	-1.0	-51.18	276.62	1.92	-49.26
O=C(NC1(C2=NN=N[N-]2)CC1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL250004649178	0	33	-1.0	-55.79	286.55	1.02	-54.77
O=C(NC1(C2=N[N-]N=N2)CC1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL250004649178	1	33	-1.0	-55.77	286.48	1.01	-54.76
CCCC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004649179	0	39	-1.0	-47.32	331.96	5.53	-41.79
CCCC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004649179	1	39	-1.0	-47.35	332.03	5.53	-41.82
CC(C)N1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004649180	0	36	-1.0	-56.30	306.35	2.78	-53.52
CC(C)N1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004649180	1	36	-1.0	-56.26	306.41	2.78	-53.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(Cl)N1	REAL250004649181	0	24	-1.0	-46.06	242.08	-0.20	-46.26
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(Cl)N1	REAL250004649181	1	24	-1.0	-46.06	242.16	-0.21	-46.27
C=CC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCOCC1	REAL250004649182	0	38	-1.0	-47.10	295.37	1.59	-45.51
C=CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCOCC1	REAL250004649182	1	38	-1.0	-47.10	295.44	1.62	-45.48
CN1C=CC(N2C=NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)=N1	REAL250004649183	0	34	-1.0	-59.30	310.20	3.73	-55.57
CN1C=CC(N2C=NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)=N1	REAL250004649183	1	34	-1.0	-59.31	310.11	3.73	-55.58
CC(=CC1=CC=C(F)C=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649184	0	34	-1.0	-47.19	295.56	4.46	-42.73
CC(=CC1=CC=C(F)C=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649184	1	34	-1.0	-47.28	295.63	4.44	-42.84
CCCCC1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004649185	0	35	-1.0	-49.82	316.33	2.49	-47.33
CCCCC1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004649185	1	35	-1.0	-49.85	316.40	2.52	-47.33
O=C(CF)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004649186	0	32	-1.0	-54.42	291.92	3.26	-51.16
O=C(CF)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004649186	1	32	-1.0	-54.37	291.98	3.26	-51.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CNC2=CN=C1	REAL250004649187	0	30	-1.0	-55.43	266.92	0.73	-54.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CNC2=CN=C1	REAL250004649187	1	30	-1.0	-55.42	266.83	0.74	-54.68
CN1N=NC=C1C(F)(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649188	0	29	-1.0	-42.50	272.25	-0.27	-42.77
CN1N=NC=C1C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649188	1	29	-1.0	-42.48	272.18	-0.27	-42.75
O=CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004649189	0	30	-1.0	-49.62	275.62	0.61	-49.01
O=CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004649189	1	30	-1.0	-49.63	275.69	0.63	-49.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NNC(=O)N2C=C1	REAL250004649190	0	30	-1.0	-47.34	275.30	0.92	-46.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NNC(=O)N2C=C1	REAL250004649190	1	30	-1.0	-47.36	275.37	0.93	-46.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CN2C=NN=C12	REAL250004649191	0	29	-1.0	-59.52	263.61	4.10	-55.42
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CN2C=NN=C12	REAL250004649191	1	29	-1.0	-59.47	263.52	4.11	-55.36
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NC2=C(C)C=CC=C12	REAL250004649192	0	37	-1.0	-49.20	315.71	3.76	-45.44
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC2=C(C)C=CC=C12	REAL250004649192	1	37	-1.0	-49.23	315.63	3.76	-45.47
CCCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N1	REAL250004649193	0	34	-1.0	-50.03	295.05	2.38	-47.65
CCCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N1	REAL250004649193	1	34	-1.0	-50.05	295.14	2.37	-47.68
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649194	0	36	-1.0	-55.00	306.78	4.48	-50.52
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649194	1	36	-1.0	-55.03	306.71	4.46	-50.57
N#CC1CCCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649195	0	37	-1.0	-57.22	303.88	3.46	-53.76
N#CC1CCCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649195	1	37	-1.0	-57.20	303.97	3.45	-53.75
O=C(CC1CCN2C=NC=C2C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649196	0	37	-1.0	-56.99	306.23	4.11	-52.88
O=C(CC1CCN2C=NC=C2C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649196	1	37	-1.0	-57.02	306.32	4.10	-52.92
O=C(CCCCCN1C=NN=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649197	0	37	-1.0	-57.72	323.06	2.84	-54.88
O=C(CCCCCN1C=NN=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649197	1	37	-1.0	-57.73	323.00	2.84	-54.89
O=C(CCC1=NC=C(F)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649198	0	31	-1.0	-46.86	285.38	1.38	-45.48
O=C(CCC1=NC=C(F)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649198	1	31	-1.0	-46.88	285.45	1.38	-45.50
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2NC(=O)NCC2=C1	REAL250004649199	0	34	-1.0	-49.85	297.41	-0.28	-50.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2NC(=O)NCC2=C1	REAL250004649199	1	34	-1.0	-49.92	297.47	-0.28	-50.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CCOC2)C=C1	REAL250004649200	0	38	-1.0	-47.96	317.25	3.24	-44.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CCOC2)C=C1	REAL250004649200	1	38	-1.0	-48.03	317.34	3.25	-44.78
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=CC2=C1CCCC2	REAL250004649201	0	36	-1.0	-49.77	294.78	3.19	-46.58
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=CC2=C1CCCC2	REAL250004649201	1	36	-1.0	-49.77	294.85	3.21	-46.56
CC1=CC=CN2N=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C12	REAL250004649202	0	33	-1.0	-54.73	283.25	2.90	-51.83
CC1=CC=CN2N=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C12	REAL250004649202	1	33	-1.0	-54.76	283.18	2.90	-51.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=CN=NN21	REAL250004649203	0	29	-1.0	-55.42	262.06	1.21	-54.21
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=CN=NN21	REAL250004649203	1	29	-1.0	-55.40	261.99	1.19	-54.21
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NC2=CC(C)=CC=C21	REAL250004649204	0	37	-1.0	-49.19	315.85	3.78	-45.41
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC2=CC(C)=CC=C21	REAL250004649204	1	37	-1.0	-49.21	315.76	3.78	-45.43
CC1=C2N=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CN2N=C1	REAL250004649205	0	32	-1.0	-48.03	289.62	2.14	-45.89
CC1=C2N=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CN2N=C1	REAL250004649205	1	32	-1.0	-48.04	289.53	2.15	-45.89
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2SN=CC2=CC=C1	REAL250004649206	0	29	-1.0	-59.29	273.10	2.69	-56.60
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2SN=CC2=CC=C1	REAL250004649206	1	29	-1.0	-59.33	273.01	2.69	-56.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)F)C=N1	REAL250004649207	0	29	-1.0	-48.09	272.65	1.61	-46.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)F)C=N1	REAL250004649207	1	29	-1.0	-48.10	272.56	1.62	-46.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL250004649208	0	32	-1.0	-52.69	280.87	1.52	-51.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL250004649208	1	32	-1.0	-52.67	280.94	1.54	-51.13
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC2=C1N=CS2	REAL250004649209	0	33	-1.0	-49.01	289.81	2.57	-46.44
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2=C1N=CS2	REAL250004649209	1	33	-1.0	-49.05	289.89	2.56	-46.49
CC1(C)CCC(F)(F)CC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649210	0	39	-1.0	-45.62	304.27	3.68	-41.94
CC1(C)CCC(F)(F)CC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649210	1	39	-1.0	-45.61	304.36	3.67	-41.94
CC1=CC=CN=C1C=CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649211	0	33	-1.0	-48.59	292.50	2.83	-45.76
CC1=CC=CN=C1C=CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649211	1	33	-1.0	-48.62	292.57	2.84	-45.78
CCC1=CSC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649212	0	30	-1.0	-49.60	271.71	2.85	-46.75
CCC1=CSC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649212	1	30	-1.0	-49.55	271.82	2.85	-46.70
COC1=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NN=C2C=C1	REAL250004649213	0	34	-1.0	-55.13	299.40	0.50	-54.63
COC1=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NN=C2C=C1	REAL250004649213	1	34	-1.0	-55.15	299.31	0.51	-54.64
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NNC1=O	REAL250004649214	0	29	-1.0	-45.23	265.00	-1.34	-46.57
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NNC1=O	REAL250004649214	1	29	-1.0	-45.21	265.07	-1.32	-46.53
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CC=CN2N=N1	REAL250004649215	0	29	-1.0	-55.51	266.38	0.87	-54.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CC=CN2N=N1	REAL250004649215	1	29	-1.0	-55.49	266.32	0.84	-54.65
CC1CCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1C	REAL250004649216	0	42	-1.0	-48.21	315.06	4.20	-44.01
CC1CCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1C	REAL250004649216	1	42	-1.0	-48.23	315.15	4.20	-44.03
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=CC2=NC=CC=C21	REAL250004649217	0	31	-1.0	-50.88	274.69	0.93	-49.95
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=CC2=NC=CC=C21	REAL250004649217	1	31	-1.0	-50.84	274.62	0.92	-49.92
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)CCN1C=CN=N1	REAL250004649218	0	32	-1.0	-48.39	295.69	1.01	-47.38
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)CCN1C=CN=N1	REAL250004649218	1	32	-1.0	-48.41	295.62	1.00	-47.41
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)CCN1C=CC=N1	REAL250004649219	0	33	-1.0	-45.68	301.88	2.23	-43.45
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)CCN1C=CC=N1	REAL250004649219	1	33	-1.0	-45.65	301.81	2.22	-43.43
O=C(CC1CCS(=O)(=O)CC1)NC1(C2=N[N-]N=N2)CC1	REAL250004649220	0	36	-1.0	-51.10	306.04	-0.39	-51.49
O=C(CC1CCS(=O)(=O)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004649220	1	36	-1.0	-51.13	306.11	-0.39	-51.52
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(CC(F)F)N=C1	REAL250004649221	0	30	-1.0	-48.36	280.54	1.58	-46.78
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(CC(F)F)N=C1	REAL250004649221	1	30	-1.0	-48.35	280.47	1.57	-46.78
CN1C=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004649222	0	29	-1.0	-60.20	259.16	1.12	-59.08
CN1C=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004649222	1	29	-1.0	-60.21	259.09	1.11	-59.10
CC1=CC=C(C=CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004649223	0	37	-1.0	-47.93	320.02	5.30	-42.63
CC1=CC=C(C=CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004649223	1	37	-1.0	-47.92	320.09	5.31	-42.61
O=C(C=CC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649224	0	31	-1.0	-47.52	277.49	3.82	-43.70
O=C(C=CC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649224	1	31	-1.0	-47.52	277.56	3.82	-43.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCN2C=NN=C12	REAL250004649225	0	33	-1.0	-58.24	281.18	3.44	-54.80
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCN2C=NN=C12	REAL250004649225	1	33	-1.0	-58.25	281.27	3.43	-54.82
CC(C)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1F	REAL250004649226	0	36	-1.0	-56.45	306.38	4.46	-51.99
CC(C)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1F	REAL250004649226	1	36	-1.0	-56.51	306.47	4.45	-52.06
CC(C)C1=CC=C(F)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649227	0	36	-1.0	-53.68	307.74	4.50	-49.18
CC(C)C1=CC=C(F)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649227	1	36	-1.0	-53.69	307.83	4.50	-49.19
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004649228	0	33	-1.0	-57.00	292.84	4.83	-52.17
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004649228	1	33	-1.0	-57.01	292.75	4.83	-52.18
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)C1=CN=CC=N1	REAL250004649229	0	28	-1.0	-46.50	265.51	0.44	-46.06
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CN=CC=N1	REAL250004649229	1	28	-1.0	-46.49	265.44	0.43	-46.06
CC(C)(C)OC(=O)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649230	0	35	-1.0	-53.98	294.73	3.24	-50.74
CC(C)(C)OC(=O)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649230	1	35	-1.0	-54.03	294.80	3.24	-50.79
COC1=CC=C(C#CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL250004649231	0	33	-1.0	-48.02	304.18	3.30	-44.72
COC1=CC=C(C#CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL250004649231	1	33	-1.0	-48.37	304.25	3.30	-45.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CN=CN=C2N1	REAL250004649232	0	29	-1.0	-47.11	266.40	1.53	-45.58
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CN=CN=C2N1	REAL250004649232	1	29	-1.0	-47.11	266.31	1.53	-45.58
CC(C)(C)C(=O)CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649233	0	37	-1.0	-45.41	309.94	2.83	-42.58
CC(C)(C)C(=O)CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649233	1	37	-1.0	-45.40	310.02	2.83	-42.57
CC1=NC(C#N)=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649234	0	30	-1.0	-50.09	273.79	1.69	-48.40
CC1=NC(C#N)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649234	1	30	-1.0	-50.05	273.87	1.69	-48.36
CCN1C(C)=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1=O	REAL250004649235	0	36	-1.0	-63.01	319.00	2.56	-60.45
CCN1C(C)=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1=O	REAL250004649235	1	36	-1.0	-63.03	319.06	2.56	-60.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(C2CC2)=CC=N1	REAL250004649236	0	33	-1.0	-50.58	289.68	2.88	-47.70
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(C2CC2)=CC=N1	REAL250004649236	1	33	-1.0	-50.58	289.77	2.87	-47.71
CC(C)(C)C1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004649237	0	35	-1.0	-51.62	304.57	0.08	-51.54
CC(C)(C)C1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004649237	1	35	-1.0	-51.61	304.48	0.10	-51.51
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2C1	REAL250004649238	0	32	-1.0	-48.21	283.52	4.38	-43.83
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2C1	REAL250004649238	1	32	-1.0	-48.19	283.59	4.38	-43.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2C(=C1)C=CNC2=O	REAL250004649239	0	32	-1.0	-53.76	289.85	0.08	-53.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2C(=C1)C=CNC2=O	REAL250004649239	1	32	-1.0	-53.80	289.92	0.08	-53.72
C=CCCC(CC(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649240	0	42	-1.0	-50.56	327.26	4.80	-45.76
C=CCCC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649240	1	42	-1.0	-50.57	327.32	4.80	-45.77
C=CCC(CC(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649241	0	39	-1.0	-45.86	315.13	4.22	-41.64
C=CCC(CC(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649241	1	39	-1.0	-45.83	315.20	4.22	-41.61
CC(C)(C)C1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004649242	0	37	-1.0	-42.84	307.19	1.72	-41.12
CC(C)(C)C1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004649242	1	37	-1.0	-42.83	307.27	1.72	-41.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2CCOC(=O)C2=C1	REAL250004649243	0	34	-1.0	-59.60	298.88	3.58	-56.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2CCOC(=O)C2=C1	REAL250004649243	1	34	-1.0	-59.59	298.95	3.57	-56.02
CC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N=CC2=NN1	REAL250004649244	0	32	-1.0	-52.73	288.35	0.12	-52.61
CC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N=CC2=NN1	REAL250004649244	1	32	-1.0	-52.79	288.44	0.12	-52.67
CNC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004649245	0	39	-1.0	-55.05	317.94	0.60	-54.45
CNC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004649245	1	39	-1.0	-55.02	318.01	0.58	-54.44
CC1=CC2=CC=CN=C2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649246	0	35	-1.0	-60.63	303.56	3.97	-56.66
CC1=CC2=CC=CN=C2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649246	1	35	-1.0	-60.63	303.47	3.98	-56.65
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2N=CC=CN12	REAL250004649247	0	29	-1.0	-56.85	261.60	3.49	-53.36
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2N=CC=CN12	REAL250004649247	1	29	-1.0	-56.86	261.53	3.48	-53.38
C[C@@H](C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL250004649248	0	33	-1.0	-50.13	290.31	3.80	-46.33
C[C@@H](C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL250004649248	1	33	-1.0	-50.14	290.40	3.79	-46.35
CCC(CC(=O)NC1(C2=N[N-]N=N2)CC1)CC(F)(F)F	REAL250004649249	0	35	-1.0	-46.16	297.96	3.28	-42.88
CCC(CC(=O)NC1(C2=NN=N[N-]2)CC1)CC(F)(F)F	REAL250004649249	1	35	-1.0	-46.15	298.03	3.28	-42.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1CC1CC1	REAL250004649250	0	34	-1.0	-48.32	297.11	2.62	-45.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1CC1CC1	REAL250004649250	1	34	-1.0	-48.31	297.04	2.63	-45.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC(F)(F)CO1	REAL250004649251	0	31	-1.0	-52.79	273.24	1.75	-51.04
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC(F)(F)CO1	REAL250004649251	1	31	-1.0	-52.76	273.33	1.75	-51.01
C[C@@H]1C[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL250004649252	0	37	-1.0	-49.42	301.91	2.00	-47.42
C[C@@H]1C[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL250004649252	1	37	-1.0	-49.42	301.97	2.01	-47.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(F)=C1F	REAL250004649253	0	27	-1.0	-53.11	270.02	3.15	-49.96
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(F)=C1F	REAL250004649253	1	27	-1.0	-53.16	270.11	3.14	-50.02
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C(F)C(F)=C1F	REAL250004649254	0	29	-1.0	-43.20	270.91	0.92	-42.28
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C(F)C(F)=C1F	REAL250004649254	1	29	-1.0	-43.20	270.99	0.91	-42.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2(CC2F)C1	REAL250004649255	0	31	-1.0	-48.79	272.98	3.09	-45.70
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2(CC2F)C1	REAL250004649255	1	31	-1.0	-48.80	273.06	3.10	-45.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CC(F)CC2=C1	REAL250004649256	0	31	-1.0	-55.80	278.95	1.22	-54.58
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CC(F)CC2=C1	REAL250004649256	1	31	-1.0	-55.79	279.04	1.20	-54.59
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N2)O1	REAL250004649257	0	31	-1.0	-51.26	279.13	1.34	-49.92
CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N2)O1	REAL250004649257	1	31	-1.0	-51.23	279.22	1.33	-49.90
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CC2=CC=CC=C21	REAL250004649258	0	36	-1.0	-52.61	300.07	5.23	-47.38
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CC2=CC=CC=C21	REAL250004649258	1	36	-1.0	-52.63	300.01	5.21	-47.42
COC1=CC=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649259	0	36	-1.0	-48.52	315.37	0.86	-47.66
COC1=CC=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649259	1	36	-1.0	-48.60	315.44	0.87	-47.73
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=C1CCOC2	REAL250004649260	0	35	-1.0	-55.28	300.68	0.28	-55.00
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=C1CCOC2	REAL250004649260	1	35	-1.0	-55.28	300.77	0.26	-55.02
CC1=CC=CC([C@@H](C)C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649261	0	36	-1.0	-51.51	304.80	4.40	-47.11
CC1=CC=CC([C@@H](C)C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649261	1	36	-1.0	-51.51	304.89	4.39	-47.12
COC1=CC(C)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004649262	0	33	-1.0	-47.94	285.70	-0.14	-48.08
COC1=CC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004649262	1	33	-1.0	-47.99	285.77	-0.11	-48.10
CN1C(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC2=C1C=CS2	REAL250004649263	0	31	-1.0	-53.78	281.51	3.51	-50.27
CN1C(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC2=C1C=CS2	REAL250004649263	1	31	-1.0	-53.74	281.45	3.51	-50.23
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1CC(F)F	REAL250004649264	0	33	-1.0	-49.78	299.39	1.91	-47.87
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1CC(F)F	REAL250004649264	1	33	-1.0	-49.77	299.49	1.90	-47.87
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1C1CCC1	REAL250004649265	0	37	-1.0	-50.17	309.98	3.06	-47.11
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1C1CCC1	REAL250004649265	1	37	-1.0	-50.19	310.07	3.05	-47.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CCCCC2=CN1	REAL250004649266	0	35	-1.0	-52.62	290.90	2.78	-49.84
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CCCCC2=CN1	REAL250004649266	1	35	-1.0	-52.63	290.99	2.77	-49.86
COCCOCC=CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649267	0	35	-1.0	-50.90	309.97	0.22	-50.68
COCCOCC=CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649267	1	35	-1.0	-50.89	310.04	0.22	-50.67
CC[C@H](CC(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004649268	0	38	-1.0	-44.73	289.41	3.27	-41.46
CC[C@H](CC(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004649268	1	38	-1.0	-44.73	289.48	3.28	-41.45
CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)SC=C1	REAL250004649269	0	30	-1.0	-47.95	276.52	3.00	-44.95
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)SC=C1	REAL250004649269	1	30	-1.0	-47.96	276.59	3.02	-44.94
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C=NC=N1	REAL250004649270	0	32	-1.0	-51.90	274.69	3.15	-48.75
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C=NC=N1	REAL250004649270	1	32	-1.0	-51.92	274.63	3.16	-48.76
CC1=NN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=C1C	REAL250004649271	0	36	-1.0	-50.18	308.74	2.36	-47.82
CC1=NN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=C1C	REAL250004649271	1	36	-1.0	-50.17	308.81	2.37	-47.80
CC(=O)C1=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004649272	0	28	-1.0	-53.73	274.38	0.07	-53.66
CC(=O)C1=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004649272	1	28	-1.0	-53.77	274.47	0.06	-53.71
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2N=CC=C2C=C1	REAL250004649273	0	30	-1.0	-50.32	270.31	2.41	-47.91
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2N=CC=C2C=C1	REAL250004649273	1	30	-1.0	-50.31	270.24	2.42	-47.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC2=NN=CN21	REAL250004649274	0	33	-1.0	-55.62	276.36	3.26	-52.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2=NN=CN21	REAL250004649274	1	33	-1.0	-55.64	276.44	3.27	-52.37
CC1(C)CCCC(CC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004649275	0	40	-1.0	-50.49	316.46	3.24	-47.25
CC1(C)CCCC(CC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004649275	1	40	-1.0	-50.51	316.55	3.24	-47.27
COC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL250004649276	0	33	-1.0	-54.85	294.87	1.66	-53.19
COC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL250004649276	1	33	-1.0	-54.81	294.80	1.66	-53.15
CCN1C(=O)CCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649277	0	34	-1.0	-53.33	286.58	1.68	-51.65
CCN1C(=O)CCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649277	1	34	-1.0	-53.31	286.65	1.68	-51.63
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC2=C1CCC2	REAL250004649278	0	33	-1.0	-50.26	280.91	2.58	-47.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC2=C1CCC2	REAL250004649278	1	33	-1.0	-50.24	280.99	2.58	-47.66
CCSC1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004649279	0	40	-1.0	-46.61	323.70	4.66	-41.95
CCSC1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004649279	1	40	-1.0	-46.62	323.75	4.68	-41.94
CC1=CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)=CC(C)=N1	REAL250004649280	0	38	-1.0	-47.31	327.27	3.57	-43.74
CC1=CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)=CC(C)=N1	REAL250004649280	1	38	-1.0	-47.33	327.34	3.58	-43.75
CC1=CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL250004649281	0	36	-1.0	-49.51	310.62	5.55	-43.96
CC1=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL250004649281	1	36	-1.0	-49.56	310.55	5.56	-44.00
O=C(CCC1=CC=CC(=O)N1)NC1(C2=N[N-]N=N2)CC1	REAL250004649282	0	33	-1.0	-52.16	293.61	0.90	-51.26
O=C(CCC1=CC=CC(=O)N1)NC1(C2=NN=N[N-]2)CC1	REAL250004649282	1	33	-1.0	-52.19	293.68	0.91	-51.28
CC1=NN(C2CCC2)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649283	0	37	-1.0	-52.17	311.48	2.85	-49.32
CC1=NN(C2CCC2)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649283	1	37	-1.0	-52.22	311.57	2.84	-49.38
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CNC=C1Br	REAL250004649284	0	25	-1.0	-56.11	249.76	1.01	-55.10
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CNC=C1Br	REAL250004649284	1	25	-1.0	-56.14	249.85	1.01	-55.13
CCC1=C(C)SC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649285	0	33	-1.0	-49.91	291.41	3.56	-46.35
CCC1=C(C)SC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649285	1	33	-1.0	-49.88	291.50	3.56	-46.32
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(OC(F)(F)F)C1	REAL250004649286	0	31	-1.0	-44.49	286.03	1.17	-43.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(OC(F)(F)F)C1	REAL250004649286	1	31	-1.0	-44.47	286.11	1.18	-43.29
CS(=O)(=O)C1=COC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649287	0	30	-1.0	-58.61	289.93	-2.06	-60.67
CS(=O)(=O)C1=COC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649287	1	30	-1.0	-58.68	290.00	-2.03	-60.71
O=C(CC1=CC=C2COCCC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649288	0	38	-1.0	-48.18	321.31	3.40	-44.78
O=C(CC1=CC=C2COCCC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649288	1	38	-1.0	-48.17	321.38	3.41	-44.76
O=C(CC1=CC=C2CCOCC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649289	0	38	-1.0	-49.38	321.29	3.40	-45.98
O=C(CC1=CC=C2CCOCC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649289	1	38	-1.0	-49.37	321.36	3.40	-45.97
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCOC(=O)CC1	REAL250004649290	0	33	-1.0	-49.87	276.46	2.06	-47.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCOC(=O)CC1	REAL250004649290	1	33	-1.0	-49.90	276.52	2.07	-47.83
CCN1N=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1C	REAL250004649291	0	32	-1.0	-48.60	282.49	0.21	-48.39
CCN1N=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1C	REAL250004649291	1	32	-1.0	-48.58	282.58	0.21	-48.37
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CN(C)C1=O	REAL250004649292	0	33	-1.0	-46.99	287.38	2.14	-44.85
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CN(C)C1=O	REAL250004649292	1	33	-1.0	-47.04	287.45	2.13	-44.91
O=C(CC1CCCC(F)(F)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649293	0	36	-1.0	-53.81	298.57	3.58	-50.23
O=C(CC1CCCC(F)(F)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649293	1	36	-1.0	-53.73	298.67	3.58	-50.15
O=C(CC1CC(C(F)F)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649294	0	33	-1.0	-50.02	289.00	3.13	-46.89
O=C(CC1CC(C(F)F)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649294	1	33	-1.0	-50.06	289.07	3.16	-46.90
CC1=CC(Cl)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL250004649295	0	27	-1.0	-49.95	270.71	2.81	-47.14
CC1=CC(Cl)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL250004649295	1	27	-1.0	-49.94	270.80	2.80	-47.14
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC(=O)N(C2CC2)C1	REAL250004649296	0	38	-1.0	-48.37	313.33	2.33	-46.04
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC(=O)N(C2CC2)C1	REAL250004649296	1	38	-1.0	-48.38	313.40	2.34	-46.04
N#CC1=CN=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649297	0	27	-1.0	-50.89	272.74	1.42	-49.47
N#CC1=CN=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649297	1	27	-1.0	-50.88	272.65	1.43	-49.45
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1C(=O)NC2	REAL250004649298	0	32	-1.0	-69.01	279.61	1.48	-67.53
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1C(=O)NC2	REAL250004649298	1	32	-1.0	-69.01	279.70	1.47	-67.54
CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1Cl	REAL250004649299	0	33	-1.0	-44.85	297.54	4.43	-40.42
CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1Cl	REAL250004649299	1	33	-1.0	-44.84	297.60	4.44	-40.40
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(CC2CC2)C=C1	REAL250004649300	0	37	-1.0	-48.48	317.63	5.64	-42.84
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(CC2CC2)C=C1	REAL250004649300	1	37	-1.0	-48.45	317.70	5.64	-42.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2CCCCC2=C1	REAL250004649301	0	36	-1.0	-46.18	300.08	3.31	-42.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2CCCCC2=C1	REAL250004649301	1	36	-1.0	-46.18	300.15	3.32	-42.86
O=C(C=CC1=CC=C2OCOC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649302	0	34	-1.0	-49.22	303.52	2.50	-46.72
O=C(C=CC1=CC=C2OCOC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649302	1	34	-1.0	-49.23	303.59	2.50	-46.73
CC1(C)COCCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649303	0	37	-1.0	-47.54	287.67	1.38	-46.16
CC1(C)COCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649303	1	37	-1.0	-47.57	287.75	1.38	-46.19
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=NN=CN21	REAL250004649304	0	29	-1.0	-56.70	258.15	3.70	-53.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=NN=CN21	REAL250004649304	1	29	-1.0	-56.68	258.07	3.69	-52.99
C=CCOCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004649305	0	43	-1.0	-44.98	343.79	3.68	-41.30
C=CCOCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004649305	1	43	-1.0	-44.96	343.86	3.68	-41.28
CN1N=CC(C(F)F)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649306	0	30	-1.0	-55.80	271.48	1.38	-54.42
CN1N=CC(C(F)F)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649306	1	30	-1.0	-55.80	271.41	1.37	-54.43
CC1=NN(C2CCC2)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649307	0	37	-1.0	-50.92	307.84	3.27	-47.65
CC1=NN(C2CCC2)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649307	1	37	-1.0	-50.95	307.90	3.27	-47.68
CC1(C)CCCOC1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649308	0	40	-1.0	-50.24	311.23	2.88	-47.36
CC1(C)CCCOC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649308	1	40	-1.0	-50.25	311.30	2.90	-47.35
CC(=O)NC(COC(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649309	0	40	-1.0	-50.31	335.40	0.64	-49.67
CC(=O)NC(COC(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649309	1	40	-1.0	-50.31	335.46	0.64	-49.67
CC1(C)OCC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004649310	0	38	-1.0	-45.23	318.67	1.49	-43.74
CC1(C)OCC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004649310	1	38	-1.0	-45.23	318.74	1.51	-43.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C=COC2=C1	REAL250004649311	0	30	-1.0	-50.86	270.21	3.00	-47.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C=COC2=C1	REAL250004649311	1	30	-1.0	-50.88	270.14	2.99	-47.89
C#CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649312	0	29	-1.0	-49.79	269.42	3.83	-45.96
C#CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649312	1	29	-1.0	-49.77	269.35	3.82	-45.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C(F)C2=CC=CC=C21	REAL250004649313	0	32	-1.0	-47.35	286.56	3.10	-44.25
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(F)C2=CC=CC=C21	REAL250004649313	1	32	-1.0	-47.30	286.50	3.07	-44.23
CC1=C(C)NC(=O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649314	0	33	-1.0	-58.11	280.46	1.20	-56.91
CC1=C(C)NC(=O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649314	1	33	-1.0	-58.08	280.53	1.20	-56.88
CCN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL250004649315	0	33	-1.0	-53.64	289.77	1.64	-52.00
CCN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL250004649315	1	33	-1.0	-53.60	289.86	1.63	-51.97
CCCN1C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649316	0	34	-1.0	-51.04	291.75	3.57	-47.47
CCCN1C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649316	1	34	-1.0	-51.02	291.82	3.58	-47.44
CC(C)(C)N1C=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004649317	0	39	-1.0	-52.13	330.42	3.12	-49.01
CC(C)(C)N1C=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004649317	1	39	-1.0	-52.13	330.35	3.12	-49.01
CC1=NNC2=C1CC(C(=O)NC1(C3=N[N-]N=N3)CC1)CC2	REAL250004649319	0	37	-1.0	-49.90	307.43	1.96	-47.94
CC1=NNC2=C1CC(C(=O)NC1(C3=NN=N[N-]3)CC1)CC2	REAL250004649319	1	37	-1.0	-49.90	307.49	1.95	-47.95
CC1=C2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)CCC2=NN1	REAL250004649319	1	37	-1.0	-47.98	307.00	1.95	-46.03
NS(=O)(=O)C1=COC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649320	0	29	-1.0	-56.17	283.33	-4.63	-60.80
NS(=O)(=O)C1=COC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649320	1	29	-1.0	-56.17	283.40	-4.60	-60.77
N#CC1=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL250004649321	0	31	-1.0	-55.11	291.57	2.64	-52.47
N#CC1=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL250004649321	1	31	-1.0	-55.12	291.48	2.66	-52.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2N=NC=C2C=C1	REAL250004649322	0	29	-1.0	-51.16	264.85	1.14	-50.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2N=NC=C2C=C1	REAL250004649322	1	29	-1.0	-51.11	264.79	1.13	-49.98
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(CCO)N=N1	REAL250004649323	0	30	-1.0	-48.22	277.17	-3.67	-51.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(CCO)N=N1	REAL250004649323	1	30	-1.0	-48.21	277.08	-3.67	-51.88
O=C(CCNC1=CN=CN=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649324	0	33	-1.0	-48.77	292.55	0.29	-48.48
O=C(CCNC1=CN=CN=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649324	1	33	-1.0	-48.79	292.48	0.29	-48.50
O=C(CC1CC2(CCC2)C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649325	0	37	-1.0	-47.06	304.34	4.24	-42.82
O=C(CC1CC2(CCC2)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649325	1	37	-1.0	-47.05	304.41	4.24	-42.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC(F)(F)CC1	REAL250004649326	0	36	-1.0	-45.17	288.23	3.43	-41.74
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC(F)(F)CC1	REAL250004649326	1	36	-1.0	-45.12	288.30	3.42	-41.70
O=C(C[C@@H](O)C1=CC=CC=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649327	0	34	-1.0	-49.93	295.43	1.81	-48.12
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COC1=CN=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649440	1	29	-1.0	-48.99	265.06	-1.06	-50.05
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649441	0	30	-1.0	-45.67	271.60	2.52	-43.15
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649441	1	30	-1.0	-45.70	271.69	2.51	-43.19
CC1CC(=O)NCC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649442	0	34	-1.0	-49.21	281.89	-0.62	-49.83
CC1CC(=O)NCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649442	1	34	-1.0	-49.20	281.95	-0.61	-49.81
NC(=O)C1=CC(F)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649443	0	31	-1.0	-53.73	284.03	-0.51	-54.24
NC(=O)C1=CC(F)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649443	1	31	-1.0	-53.75	284.10	-0.52	-54.27
CC1(C)C(C)(C)C1(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649444	0	36	-1.0	-44.17	289.48	3.27	-40.90
CC1(C)C(C)(C)C1(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649444	1	36	-1.0	-44.19	289.55	3.28	-40.91
COC1(C#N)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649445	0	32	-1.0	-44.61	285.38	0.65	-43.96
COC1(C#N)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649445	1	32	-1.0	-44.59	285.45	0.65	-43.94
CC1(C)CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)CO1	REAL250004649446	0	37	-1.0	-52.04	303.33	1.73	-50.31
CC1(C)CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)CO1	REAL250004649446	1	37	-1.0	-52.00	303.41	1.76	-50.24
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(F)=C1F	REAL250004649447	0	31	-1.0	-43.12	284.06	2.06	-41.06
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(F)=C1F	REAL250004649447	1	31	-1.0	-43.14	284.13	2.08	-41.06
O=C(CC1CCC(=O)NC1=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649448	0	33	-1.0	-54.87	284.37	0.14	-54.73
O=C(CC1CCC(=O)NC1=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649448	1	33	-1.0	-54.89	284.46	0.13	-54.76
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCCC(=O)C1	REAL250004649449	0	35	-1.0	-54.06	286.53	2.50	-51.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCCC(=O)C1	REAL250004649449	1	35	-1.0	-54.12	286.60	2.50	-51.62
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C2=NNC=C2)=C1	REAL250004649450	0	34	-1.0	-58.89	302.07	2.67	-56.22
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(C2=NNC=C2)=C1	REAL250004649450	1	34	-1.0	-58.92	302.00	2.66	-56.26
CC1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NN=C21	REAL250004649451	0	33	-1.0	-50.77	291.63	1.83	-48.94
CC1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NN=C21	REAL250004649451	1	33	-1.0	-50.77	291.54	1.83	-48.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CCOCC2)O1	REAL250004649452	0	39	-1.0	-51.96	315.81	1.80	-50.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2(CCOCC2)O1	REAL250004649452	1	39	-1.0	-51.92	315.88	1.80	-50.12
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2(CCC2)O1	REAL250004649453	0	35	-1.0	-51.08	291.76	2.92	-48.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2(CCC2)O1	REAL250004649453	1	35	-1.0	-51.11	291.83	2.92	-48.19
CC(F)(F)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649454	0	32	-1.0	-47.14	294.08	2.55	-44.59
CC(F)(F)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649454	1	32	-1.0	-47.12	294.01	2.53	-44.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC2=C1COC2	REAL250004649455	0	32	-1.0	-52.94	276.50	1.81	-51.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC2=C1COC2	REAL250004649455	1	32	-1.0	-52.90	276.59	1.80	-51.10
CC1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004649456	0	39	-1.0	-46.14	300.05	4.00	-42.14
CC1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004649456	1	39	-1.0	-46.17	300.12	4.01	-42.16
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Cl	REAL250004649457	0	33	-1.0	-45.30	297.42	4.30	-41.00
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Cl	REAL250004649457	1	33	-1.0	-45.26	297.48	4.30	-40.96
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=NC=CN2C=C1	REAL250004649458	0	29	-1.0	-53.37	266.89	3.68	-49.69
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=NC=CN2C=C1	REAL250004649458	1	29	-1.0	-53.35	266.81	3.68	-49.67
CCCN1C=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649459	0	33	-1.0	-52.79	306.28	2.41	-50.38
CCCN1C=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649459	1	33	-1.0	-52.78	306.21	2.39	-50.39
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(Cl)N=C1C	REAL250004649460	0	32	-1.0	-53.56	289.31	2.34	-51.22
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(Cl)N=C1C	REAL250004649460	1	32	-1.0	-53.57	289.39	2.33	-51.24
COC(=O)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649461	0	36	-1.0	-58.72	305.28	2.71	-56.01
COC(=O)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649461	1	36	-1.0	-58.71	305.38	2.70	-56.01
CC1=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1	REAL250004649462	0	27	-1.0	-51.84	262.10	0.00	-51.84
CC1=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1	REAL250004649462	1	27	-1.0	-51.85	262.17	0.01	-51.84
NC(=O)C1=CC=C(F)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649463	0	31	-1.0	-58.32	282.05	-0.62	-58.94
NC(=O)C1=CC=C(F)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649463	1	31	-1.0	-58.29	282.14	-0.62	-58.91
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL250004649464	0	30	-1.0	-50.66	276.20	-1.08	-51.74
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL250004649464	1	30	-1.0	-50.65	276.28	-1.07	-51.72
[N-]=[N+]=NC12CCC(C(=O)NC3(C4=N[N-]N=N4)CC3)(CC1)C2	REAL250004649465	0	36	-1.0	-50.20	304.57	-0.41	-50.61
[N-]=[N+]=NC12CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)(CC1)C2	REAL250004649465	1	36	-1.0	-50.18	304.63	-0.39	-50.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(C2CCC2)=NO1	REAL250004649466	0	33	-1.0	-44.67	288.94	2.45	-42.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(C2CCC2)=NO1	REAL250004649466	1	33	-1.0	-44.69	289.00	2.47	-42.22
CC(C)C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649467	0	34	-1.0	-54.90	293.82	2.38	-52.52
CC(C)C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649467	1	34	-1.0	-54.91	293.88	2.38	-52.53
CC1=CC(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CC2)=CS1	REAL250004649468	0	30	-1.0	-43.91	289.98	3.20	-40.71
CC1=CC(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CC2)=CS1	REAL250004649468	1	30	-1.0	-43.92	289.92	3.20	-40.72
[N-]=[N+]=NC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649469	0	29	-1.0	-45.91	269.67	0.34	-45.57
[N-]=[N+]=NC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649469	1	29	-1.0	-45.91	269.74	0.34	-45.57
[N-]=[N+]=NCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL250004649470	0	29	-1.0	-49.81	279.28	-2.02	-51.83
[N-]=[N+]=NCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004649470	1	29	-1.0	-49.84	279.37	-2.02	-51.86
[N-]=[N+]=NCCCCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649471	0	37	-1.0	-47.47	324.00	0.08	-47.39
[N-]=[N+]=NCCCCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649471	1	37	-1.0	-47.46	324.08	0.08	-47.38
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649472	0	32	-1.0	-49.47	293.63	-0.10	-49.57
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649472	1	32	-1.0	-49.45	293.70	-0.08	-49.53
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(N=[N+]=[N-])=C1	REAL250004649473	0	32	-1.0	-52.53	290.56	1.18	-51.35
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(N=[N+]=[N-])=C1	REAL250004649473	1	32	-1.0	-52.52	290.65	1.17	-51.35
CCOCC(N=[N+]=[N-])C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649474	0	32	-1.0	-43.35	291.67	-2.85	-46.20
CCOCC(N=[N+]=[N-])C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649474	1	32	-1.0	-43.34	291.74	-2.85	-46.19
CN1C=C(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004649475	0	30	-1.0	-46.66	281.81	1.23	-45.43
CN1C=C(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004649475	1	30	-1.0	-46.61	281.74	1.23	-45.38
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(C2CCC2)C1	REAL250004649476	0	37	-1.0	-48.58	303.84	4.18	-44.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(C2CCC2)C1	REAL250004649476	1	37	-1.0	-48.60	303.91	4.20	-44.40
C#CC1=CC=CC(OCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649477	0	33	-1.0	-53.85	303.94	4.40	-49.45
C#CC1=CC=CC(OCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649477	1	33	-1.0	-53.84	304.01	4.40	-49.44
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCC2(CCC2)C1	REAL250004649478	0	40	-1.0	-49.28	312.10	4.36	-44.92
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2(CCC2)C1	REAL250004649478	1	40	-1.0	-49.28	312.17	4.37	-44.91
CNC(=O)NC(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649479	0	32	-1.0	-48.31	280.45	-2.48	-50.79
CNC(=O)NC(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649479	1	32	-1.0	-48.31	280.51	-2.47	-50.78
CNC(=O)N[C@@H](C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649480	0	32	-1.0	-46.73	280.82	-2.60	-49.33
CNC(=O)N[C@@H](C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649480	1	32	-1.0	-46.78	280.90	-2.60	-49.38
CNC(=O)N[C@H](C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649481	0	32	-1.0	-49.81	280.41	-2.61	-52.42
CNC(=O)N[C@H](C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649481	1	32	-1.0	-49.82	280.49	-2.63	-52.45
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC2CCCCCCC21	REAL250004649482	0	43	-1.0	-47.49	314.95	4.80	-42.69
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC2CCCCCCC21	REAL250004649482	1	43	-1.0	-47.50	315.02	4.80	-42.70
CC1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CCS1	REAL250004649483	0	34	-1.0	-48.26	289.30	3.21	-45.05
CC1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CCS1	REAL250004649483	1	34	-1.0	-48.34	289.38	3.19	-45.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN2CC3(CC3)CC2=C1	REAL250004649484	0	35	-1.0	-52.89	304.41	2.45	-50.44
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN2CC3(CC3)CC2=C1	REAL250004649484	1	35	-1.0	-52.89	304.50	2.44	-50.45
O=C(CC1=CC=C2OC=NC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649485	0	32	-1.0	-55.45	288.87	0.21	-55.24
O=C(CC1=CC=C2OC=NC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649485	1	32	-1.0	-55.44	288.95	0.23	-55.21
COC1CC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649486	0	37	-1.0	-49.35	310.76	2.13	-47.22
COC1CC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649486	1	37	-1.0	-49.36	310.82	2.13	-47.23
CCCCC[C@@H](O)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649487	0	39	-1.0	-49.27	323.80	1.80	-47.47
CCCCC[C@@H](O)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649487	1	39	-1.0	-49.30	323.87	1.81	-47.49
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N2C=CC=CC2=N1	REAL250004649488	0	33	-1.0	-52.31	294.61	3.29	-49.02
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N2C=CC=CC2=N1	REAL250004649488	1	33	-1.0	-52.27	294.54	3.26	-49.01
CC(C)CC1=NC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004649489	0	37	-1.0	-46.89	317.85	2.53	-44.36
CC(C)CC1=NC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004649489	1	37	-1.0	-46.88	317.95	2.52	-44.36
CCC1=C(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL250004649490	0	32	-1.0	-48.27	283.45	2.05	-46.22
CCC1=C(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL250004649490	1	32	-1.0	-48.29	283.54	2.04	-46.25
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1(C2=N[N-]N=N2)CC1)C(C)C	REAL250004649491	0	39	-1.0	-54.17	322.40	3.20	-50.97
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1(C2=NN=N[N-]2)CC1)C(C)C	REAL250004649491	1	39	-1.0	-54.13	322.48	3.19	-50.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCCCNC1=O	REAL250004649492	0	34	-1.0	-41.68	263.80	-0.21	-41.89
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCCNC1=O	REAL250004649492	1	34	-1.0	-41.68	263.85	-0.21	-41.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2NC(=O)CCC2=CC=C1	REAL250004649493	0	35	-1.0	-61.65	296.49	1.93	-59.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2NC(=O)CCC2=CC=C1	REAL250004649493	1	35	-1.0	-61.65	296.56	1.95	-59.70
O=C(CC1=C2NC=CC=C2N=C1)NC1(C2=N[N-]N=N2)CC1	REAL250004649494	0	33	-1.0	-67.04	293.52	1.49	-65.55
O=C(CC1=C2NC=CC=C2N=C1)NC1(C2=NN=N[N-]2)CC1	REAL250004649494	1	33	-1.0	-67.03	293.59	1.51	-65.52
COCC(C)(O)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649495	0	34	-1.0	-52.56	287.16	-1.23	-53.79
COCC(C)(O)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649495	1	34	-1.0	-52.56	287.23	-1.22	-53.78
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC2=C1CCCC2	REAL250004649496	0	38	-1.0	-51.02	311.38	3.37	-47.65
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NC2=C1CCCC2	REAL250004649496	1	38	-1.0	-51.05	311.46	3.36	-47.69
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CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CS1	REAL250004649498	0	30	-1.0	-48.94	272.72	2.97	-45.97
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CS1	REAL250004649498	1	30	-1.0	-48.98	272.80	2.96	-46.02
CCCCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL250004649500	0	35	-1.0	-48.45	308.74	1.22	-47.23
CCCCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL250004649500	1	35	-1.0	-48.47	308.65	1.23	-47.24
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CC1=C(C2CC2)ON=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649509	1	33	-1.0	-47.86	293.01	2.79	-45.07
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CCC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649512	0	32	-1.0	-51.23	282.85	2.19	-49.04
CCC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649512	1	32	-1.0	-51.18	282.92	2.21	-48.97
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SN=C1	REAL250004649513	0	26	-1.0	-46.59	248.14	0.80	-45.79
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SN=C1	REAL250004649513	1	26	-1.0	-46.61	248.06	0.80	-45.81
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CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC2=NNN=C21	REAL250004649517	0	32	-1.0	-46.16	283.42	0.56	-45.60
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC2=NNN=C21	REAL250004649517	1	32	-1.0	-46.19	283.35	0.55	-45.64
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CC1(C)NC(=O)CC1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649520	0	34	-1.0	-51.45	285.68	-1.02	-52.47
CC1(C)NC(=O)CC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649520	1	34	-1.0	-51.48	285.75	-1.03	-52.51
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CC1=C(C(N)=O)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649522	0	34	-1.0	-60.37	287.30	-0.02	-60.39
CC1=C(C(N)=O)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649522	1	34	-1.0	-60.37	287.37	-0.02	-60.39
CC1CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(C)O1	REAL250004649523	0	37	-1.0	-47.82	298.54	1.60	-46.22
CC1CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(C)O1	REAL250004649523	1	37	-1.0	-47.84	298.63	1.61	-46.23
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(Cl)=C1	REAL250004649524	0	24	-1.0	-46.54	242.55	1.22	-45.32
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(Cl)=C1	REAL250004649524	1	24	-1.0	-46.50	242.62	1.24	-45.26
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2C=CC=CC2=NS1	REAL250004649525	0	29	-1.0	-50.84	273.97	2.43	-48.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2C=CC=CC2=NS1	REAL250004649525	1	29	-1.0	-50.84	273.88	2.44	-48.40
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(F)=C1	REAL250004649526	0	27	-1.0	-44.88	258.47	2.31	-42.57
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(F)=C1	REAL250004649526	1	27	-1.0	-44.94	258.56	2.31	-42.63
CC1(C)[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)[C@@H]1C(F)F	REAL250004649527	0	33	-1.0	-51.28	271.00	2.96	-48.32
CC1(C)[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)[C@@H]1C(F)F	REAL250004649527	1	33	-1.0	-51.24	271.11	2.96	-48.28
CN1N=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C21	REAL250004649528	0	32	-1.0	-67.97	285.90	1.15	-66.82
CN1N=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C21	REAL250004649528	1	32	-1.0	-67.97	285.81	1.15	-66.82
COC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)=N1	REAL250004649529	0	32	-1.0	-48.34	279.82	-2.12	-50.46
COC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)=N1	REAL250004649529	1	32	-1.0	-48.33	279.90	-2.13	-50.46
COC(=O)CC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004649530	0	36	-1.0	-47.18	309.44	2.92	-44.26
COC(=O)CC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004649530	1	36	-1.0	-47.14	309.53	2.94	-44.20
CC(CC1=CC=NC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649531	0	35	-1.0	-46.92	299.45	2.82	-44.10
CC(CC1=CC=NC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649531	1	35	-1.0	-46.93	299.52	2.82	-44.11
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(N2C=CN=C2)C1	REAL250004649532	0	34	-1.0	-53.30	292.80	3.48	-49.82
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(N2C=CN=C2)C1	REAL250004649532	1	34	-1.0	-53.34	292.87	3.50	-49.84
CC(C)CCCOCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649533	0	39	-1.0	-50.28	324.51	3.50	-46.78
CC(C)CCCOCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649533	1	39	-1.0	-50.30	324.59	3.51	-46.79
CC1=CC=CC(C(O)C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004649534	0	34	-1.0	-44.77	295.74	2.00	-42.77
CC1=CC=CC(C(O)C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004649534	1	34	-1.0	-44.82	295.81	2.01	-42.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(CCCC2=O)N1	REAL250004649535	0	34	-1.0	-59.89	296.39	1.84	-58.05
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(CCCC2=O)N1	REAL250004649535	1	34	-1.0	-59.92	296.48	1.83	-58.09
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(CN2C=CC=N2)=C1	REAL250004649536	0	34	-1.0	-56.11	309.83	2.47	-53.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(CN2C=CC=N2)=C1	REAL250004649536	1	34	-1.0	-56.15	309.77	2.44	-53.71
N#CC1=CNC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C12	REAL250004649537	0	32	-1.0	-60.81	295.75	3.12	-57.69
N#CC1=CNC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C12	REAL250004649537	1	32	-1.0	-60.76	295.68	3.13	-57.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CNC(C2=CC=CC=C2)=C1	REAL250004649538	0	35	-1.0	-53.59	307.81	4.04	-49.55
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CNC(C2=CC=CC=C2)=C1	REAL250004649538	1	35	-1.0	-53.57	307.74	4.04	-49.53
CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004649539	0	33	-1.0	-54.49	290.46	4.03	-50.46
CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004649539	1	33	-1.0	-54.48	290.55	4.02	-50.46
O=C(CC1=CN=NS1)NC1(C2=N[N-]N=N2)CC1	REAL250004649540	0	25	-1.0	-49.15	246.33	-0.04	-49.19
O=C(CC1=CN=NS1)NC1(C2=NN=N[N-]2)CC1	REAL250004649540	1	25	-1.0	-49.13	246.39	-0.03	-49.16
CCOC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=CS1	REAL250004649541	0	31	-1.0	-56.09	286.05	2.81	-53.28
CCOC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CS1	REAL250004649541	1	31	-1.0	-56.06	286.13	2.81	-53.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2NC=CC2=CC(F)=C1	REAL250004649542	0	31	-1.0	-47.38	278.63	2.76	-44.62
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2NC=CC2=CC(F)=C1	REAL250004649542	1	31	-1.0	-47.37	278.54	2.77	-44.60
CCC1=NNC(CC)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649543	0	39	-1.0	-48.44	327.87	2.26	-46.18
CCC1=NNC(CC)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649543	1	39	-1.0	-48.38	327.80	2.25	-46.13
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004649546	0	34	-1.0	-46.68	295.48	4.66	-42.02
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004649546	1	34	-1.0	-46.66	295.55	4.66	-42.00
CCC(=CC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649547	0	37	-1.0	-48.29	307.90	5.04	-43.25
CCC(=CC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649547	1	37	-1.0	-48.29	307.97	5.03	-43.26
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CN=C1	REAL250004649549	0	37	-1.0	-49.01	316.97	3.26	-45.75
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CN=C1	REAL250004649549	1	37	-1.0	-49.00	316.91	3.24	-45.76
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NNC=N1	REAL250004649550	0	34	-1.0	-49.40	285.98	1.84	-47.56
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NNC=N1	REAL250004649550	1	34	-1.0	-49.35	286.04	1.85	-47.50
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNC=N1	REAL250004649551	0	34	-1.0	-40.48	296.57	1.53	-38.95
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNC=N1	REAL250004649551	1	34	-1.0	-40.45	296.64	1.54	-38.91
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC2=C1CCCC2	REAL250004649552	0	38	-1.0	-48.64	308.51	4.25	-44.39
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC2=C1CCCC2	REAL250004649552	1	38	-1.0	-48.61	308.57	4.26	-44.35
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NC=CC=C2C1	REAL250004649554	0	38	-1.0	-49.59	314.60	3.50	-46.09
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NC=CC=C2C1	REAL250004649554	1	38	-1.0	-49.59	314.66	3.52	-46.07
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004649555	0	34	-1.0	-47.57	291.61	2.54	-45.03
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004649555	1	34	-1.0	-47.57	291.67	2.56	-45.01
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C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NC=C1	REAL250004649556	1	34	-1.0	-36.57	302.27	2.36	-34.21
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CC(C)(C)OC(=O)CONC(=O)CCCC1=NN=N[N-]1	REAL250004649563	1	38	-1.0	-57.01	322.02	4.05	-52.96
CN(CC(CO)CO)C(=O)CCCC1=N[N-]N=N1	REAL250004649564	0	36	-1.0	-47.45	290.71	-0.93	-48.38
CN(CC(CO)CO)C(=O)CCCC1=NN=N[N-]1	REAL250004649564	1	36	-1.0	-47.43	290.77	-0.92	-48.35
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CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004649566	1	39	-1.0	-46.02	304.72	2.33	-43.69
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C#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004649567	1	37	-1.0	-47.10	303.44	5.44	-41.66
C#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004649568	0	37	-1.0	-36.33	311.06	5.67	-30.66
C#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004649568	1	37	-1.0	-36.31	311.13	5.67	-30.64
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=N1	REAL250004649569	0	31	-1.0	-48.90	290.92	2.06	-46.84
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=N1	REAL250004649569	1	31	-1.0	-48.93	290.97	2.07	-46.86
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCC(C)C1	REAL250004649570	0	41	-1.0	-47.82	328.82	4.46	-43.36
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC(C)C1	REAL250004649570	1	41	-1.0	-47.83	328.87	4.47	-43.36
CC1=CC=CC(CC(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004649571	0	41	-1.0	-48.77	340.27	5.91	-42.86
CC1=CC=CC(CC(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004649571	1	41	-1.0	-48.78	340.33	5.92	-42.86
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004649572	0	36	-1.0	-48.44	306.70	4.90	-43.54
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004649572	1	36	-1.0	-48.40	306.76	4.91	-43.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1CCC2	REAL250004649573	0	39	-1.0	-46.33	323.31	5.30	-41.03
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1CCC2	REAL250004649573	1	39	-1.0	-46.31	323.37	5.32	-40.99
NC(=O)C1=CNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004649574	0	30	-1.0	-58.52	268.71	-2.09	-60.61
NC(=O)C1=CNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004649574	1	30	-1.0	-58.52	268.77	-2.07	-60.59
NC(=O)C1=CNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649575	0	30	-1.0	-50.26	279.28	-2.29	-52.55
NC(=O)C1=CNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649575	1	30	-1.0	-50.19	279.35	-2.28	-52.47
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC=C1	REAL250004649576	0	31	-1.0	-47.36	273.70	1.65	-45.71
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC=C1	REAL250004649576	1	31	-1.0	-47.37	273.76	1.67	-45.70
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NOC=C1	REAL250004649577	0	34	-1.0	-52.39	298.06	4.57	-47.82
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NOC=C1	REAL250004649577	1	34	-1.0	-52.26	298.16	4.60	-47.66
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=C1	REAL250004649578	0	31	-1.0	-39.41	284.30	1.45	-37.96
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=C1	REAL250004649578	1	31	-1.0	-39.37	284.36	1.47	-37.90
CC1(C)CCCC1(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004649579	0	42	-1.0	-48.35	313.36	2.51	-45.84
CC1(C)CCCC1(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004649579	1	42	-1.0	-48.37	313.41	2.52	-45.85
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004649581	0	41	-1.0	-49.62	336.69	4.83	-44.79
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004649581	1	41	-1.0	-49.67	336.75	4.84	-44.83
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004649582	0	34	-1.0	-46.25	302.90	4.70	-41.55
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004649582	1	34	-1.0	-46.28	302.96	4.71	-41.57
C=CC(C)(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004649583	0	38	-1.0	-51.60	304.29	6.46	-45.14
C=CC(C)(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004649583	1	38	-1.0	-51.44	304.34	6.49	-44.95
C=CC(C)(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649584	0	35	-1.0	-35.57	286.52	2.58	-32.99
C=CC(C)(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649584	1	35	-1.0	-35.50	286.58	2.59	-32.91
C[C@H](COC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004649585	0	41	-1.0	-45.63	327.88	2.58	-43.05
C[C@H](COC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004649585	1	41	-1.0	-45.66	327.94	2.60	-43.06
O=C(CCCC1=N[N-]N=N1)NCC1CC1CC1=CC=CC=C1	REAL250004649586	0	42	-1.0	-47.42	351.03	6.38	-41.04
O=C(CCCC1=NN=N[N-]1)NCC1CC1CC1=CC=CC=C1	REAL250004649586	1	42	-1.0	-47.42	351.09	6.40	-41.02
CCOC(=O)C(CCOC)NC(=O)CCCC1=N[N-]N=N1	REAL250004649587	0	41	-1.0	-50.05	349.87	2.43	-47.62
CCOC(=O)C(CCOC)NC(=O)CCCC1=NN=N[N-]1	REAL250004649587	1	41	-1.0	-50.12	349.93	2.44	-47.68
O=C(CCCC1=N[N-]N=N1)NCC1OCC2=CC=CC=C21	REAL250004649588	0	37	-1.0	-47.94	314.46	2.88	-45.06
O=C(CCCC1=NN=N[N-]1)NCC1OCC2=CC=CC=C21	REAL250004649588	1	37	-1.0	-47.95	314.52	2.89	-45.06
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CCOCC1	REAL250004649589	0	43	-1.0	-48.27	334.84	3.11	-45.16
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CCOCC1	REAL250004649589	1	43	-1.0	-48.30	334.90	3.13	-45.17
CC(C)CC(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004649590	0	41	-1.0	-46.76	324.79	1.01	-45.75
CC(C)CC(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004649590	1	41	-1.0	-46.79	324.85	1.02	-45.77
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004649591	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004649591	1	36	-1.0	-48.42	306.75	4.91	-43.51
COC(CO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004649592	0	36	-1.0	-57.59	307.37	0.17	-57.42
COC(CO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004649592	1	36	-1.0	-57.38	307.43	0.19	-57.19
COC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649593	0	33	-1.0	-39.29	293.70	-2.99	-42.28
COC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649593	1	33	-1.0	-39.24	293.77	-2.98	-42.22
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCC(=O)NC2=N1	REAL250004649594	0	33	-1.0	-55.78	290.99	4.38	-51.40
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCC(=O)NC2=N1	REAL250004649594	1	33	-1.0	-55.78	290.93	4.37	-51.41
CC1(C(CO)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004649595	0	36	-1.0	-45.88	294.61	0.28	-45.60
CC1(C(CO)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004649595	1	36	-1.0	-45.91	294.67	0.30	-45.61
CC1(C(CO)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004649596	0	36	-1.0	-36.07	306.62	0.32	-35.75
CC1(C(CO)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004649596	1	36	-1.0	-36.06	306.69	0.34	-35.72
O=C(CCCC1=N[N-]N=N1)N1CC=CCC12CCOC2	REAL250004649597	0	38	-1.0	-47.45	294.91	2.93	-44.52
O=C(CCCC1=NN=N[N-]1)N1CC=CCC12CCOC2	REAL250004649597	1	38	-1.0	-47.50	294.97	2.94	-44.56
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCCC2)C1	REAL250004649599	0	45	-1.0	-47.33	338.47	6.63	-40.70
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCCC2)C1	REAL250004649599	1	45	-1.0	-47.33	338.53	6.64	-40.69
CC(C)(C)CC1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004649600	0	41	-1.0	-49.48	318.27	5.06	-44.42
CC(C)(C)CC1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004649600	1	41	-1.0	-49.52	318.33	5.07	-44.45
O=C(CCCC1=N[N-]N=N1)N1CC23COCC2(COC3)C1	REAL250004649601	0	39	-1.0	-49.11	307.24	0.80	-48.31
O=C(CCCC1=NN=N[N-]1)N1CC23COCC2(COC3)C1	REAL250004649601	1	39	-1.0	-49.12	307.31	0.81	-48.31
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCO2)CCC1	REAL250004649602	0	40	-1.0	-50.76	315.04	4.46	-46.30
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCO2)CCC1	REAL250004649602	1	40	-1.0	-50.81	315.10	4.47	-46.34
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1C	REAL250004649603	0	39	-1.0	-47.47	309.34	3.30	-44.17
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1C	REAL250004649603	1	39	-1.0	-47.48	309.40	3.32	-44.16
CC1=NC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004649604	0	31	-1.0	-47.24	272.35	2.35	-44.89
CC1=NC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004649604	1	31	-1.0	-47.24	272.40	2.37	-44.87
CC1=NC(F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649605	0	31	-1.0	-34.97	282.91	2.14	-32.83
CC1=NC(F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649605	1	31	-1.0	-34.95	282.98	2.16	-32.79
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004649606	0	36	-1.0	-47.63	295.11	1.24	-46.39
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004649606	1	36	-1.0	-47.67	295.17	1.25	-46.42
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCOC1	REAL250004649607	0	40	-1.0	-53.38	314.17	3.71	-49.67
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCOC1	REAL250004649607	1	40	-1.0	-53.41	314.23	3.72	-49.69
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004649608	0	41	-1.0	-52.33	334.32	4.23	-48.10
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004649608	1	41	-1.0	-52.36	334.38	4.25	-48.11
COC(=O)C[C@@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004649609	0	41	-1.0	-49.40	322.16	5.68	-43.72
COC(=O)C[C@@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004649609	1	41	-1.0	-49.44	322.21	5.69	-43.75
COC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1COC	REAL250004649610	0	43	-1.0	-49.27	344.16	2.04	-47.23
COC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1COC	REAL250004649610	1	43	-1.0	-49.25	344.22	2.06	-47.19
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004649613	0	35	-1.0	-48.34	312.69	4.14	-44.20
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004649613	1	35	-1.0	-48.38	312.75	4.15	-44.23
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004649614	0	38	-1.0	-44.95	311.20	3.42	-41.53
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004649614	1	38	-1.0	-44.97	311.27	3.43	-41.54
CC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649615	0	30	-1.0	-40.58	274.47	0.91	-39.67
CC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649615	1	30	-1.0	-40.60	274.54	0.92	-39.68
CCCN(CCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004649616	0	38	-1.0	-49.09	311.65	1.68	-47.41
CCCN(CCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004649616	1	38	-1.0	-49.12	311.71	1.69	-47.43
CCCN(CCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649617	0	38	-1.0	-38.44	317.93	2.39	-36.05
CCCN(CCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649617	1	38	-1.0	-38.41	318.00	2.40	-36.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(O)=C1	REAL250004649618	0	30	-1.0	-48.44	270.52	0.57	-47.87
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(O)=C1	REAL250004649618	1	30	-1.0	-48.47	270.58	0.59	-47.88
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=CS1	REAL250004649620	0	32	-1.0	-45.41	288.70	3.17	-42.24
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=CS1	REAL250004649620	1	32	-1.0	-45.37	288.76	3.19	-42.18
CC1(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL250004649621	0	39	-1.0	-47.60	319.48	5.85	-41.75
CC1(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL250004649621	1	39	-1.0	-47.56	319.54	5.86	-41.70
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CC1O	REAL250004649622	0	39	-1.0	-46.29	300.54	1.68	-44.61
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CC1O	REAL250004649622	1	39	-1.0	-46.29	300.59	1.68	-44.61
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CC1(C2=CC=CC=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004649628	1	39	-1.0	-47.27	323.44	6.40	-40.87
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CC(=O)NCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649659	1	38	-1.0	-45.45	308.39	-1.70	-47.15
CC(C)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649660	0	40	-1.0	-37.46	308.08	2.05	-35.41
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CSCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649662	0	32	-1.0	-39.83	271.60	0.78	-39.05
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CC(C)(C)SCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649664	0	41	-1.0	-38.70	326.91	2.45	-36.25
CC(C)(C)SCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649664	1	41	-1.0	-38.69	326.97	2.46	-36.23
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CC(NC(N)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649670	0	37	-1.0	-42.03	297.46	-4.55	-46.58
CC(NC(N)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649670	1	37	-1.0	-42.06	297.52	-4.54	-46.60
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CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL250004649676	1	38	-1.0	-39.52	304.88	2.95	-36.57
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CCCCC(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649759	0	46	-1.0	-37.82	348.88	3.67	-34.15
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CCOC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649769	0	38	-1.0	-39.54	297.42	0.75	-38.79
CCOC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649769	1	38	-1.0	-39.55	297.48	0.76	-38.79
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CCOC(=O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649771	0	37	-1.0	-44.14	302.34	2.19	-41.95
CCOC(=O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649771	1	37	-1.0	-44.09	302.39	2.20	-41.89
CC(C)(C#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649772	0	35	-1.0	-41.02	280.64	0.54	-40.48
CC(C)(C#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649772	1	35	-1.0	-40.99	280.70	0.55	-40.44
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CCOC(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649799	0	41	-1.0	-39.18	313.08	1.39	-37.79
CCOC(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649799	1	41	-1.0	-39.18	313.14	1.40	-37.78
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CC(OCC1CC1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649803	1	42	-1.0	-47.20	329.95	2.36	-44.84
COC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649804	0	35	-1.0	-39.56	275.57	-0.20	-39.76
COC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649804	1	35	-1.0	-39.54	275.63	-0.19	-39.73
CC(C)OCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649805	0	38	-1.0	-39.86	302.36	1.06	-38.80
CC(C)OCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649805	1	38	-1.0	-39.89	302.42	1.07	-38.82
CC(CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CC1	REAL250004649806	0	41	-1.0	-37.66	316.42	3.13	-34.53
CC(CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004649806	1	41	-1.0	-37.64	316.48	3.14	-34.50
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CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N1C=CN=C1	REAL250004649813	0	38	-1.0	-41.44	305.03	2.17	-39.27
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CCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649827	1	40	-1.0	-37.33	291.33	1.09	-36.24
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COC(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649829	0	38	-1.0	-39.70	301.34	0.90	-38.80
COC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649829	1	38	-1.0	-39.70	301.40	0.90	-38.80
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCOCC1	REAL250004649830	0	42	-1.0	-37.91	304.34	0.27	-37.64
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCOCC1	REAL250004649830	1	42	-1.0	-37.85	304.40	0.28	-37.57
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCC1	REAL250004649831	0	41	-1.0	-43.44	302.18	2.24	-41.20
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCC1	REAL250004649831	1	41	-1.0	-43.40	302.25	2.24	-41.16
CC(=O)NC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649832	0	41	-1.0	-36.47	310.38	-0.52	-36.99
CC(=O)NC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649832	1	41	-1.0	-36.50	310.44	-0.51	-37.01
CCCC(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649833	0	43	-1.0	-37.21	325.47	2.77	-34.44
CCCC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649833	1	43	-1.0	-37.20	325.53	2.77	-34.43
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CC(C)CC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649836	1	46	-1.0	-37.00	342.76	3.29	-33.71
CNC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004649837	0	39	-1.0	-42.30	316.50	-1.06	-43.36
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CCNC(=O)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649842	0	41	-1.0	-42.01	328.62	-0.86	-42.87
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C#CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N=C1	REAL250004649857	0	36	-1.0	-41.92	305.45	2.56	-39.36
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CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004649945	0	38	-1.0	-38.42	287.97	1.72	-36.70
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COCC(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649957	0	41	-1.0	-38.83	318.68	0.46	-38.37
COCC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649957	1	41	-1.0	-38.86	318.74	0.46	-38.40
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CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCO1	REAL250004649959	0	39	-1.0	-38.61	297.14	0.48	-38.13
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CCCC(C)(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649967	1	41	-1.0	-41.62	310.85	-1.13	-42.75
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CCCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004649970	1	44	-1.0	-38.42	327.84	3.07	-35.35
CCC(=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)CC	REAL250004649971	0	41	-1.0	-37.64	315.48	2.73	-34.91
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CC1CCC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004649974	1	44	-1.0	-38.12	333.20	3.59	-34.53
CCC(CC)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649975	0	43	-1.0	-37.21	321.99	2.61	-34.60
CCC(CC)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649975	1	43	-1.0	-37.21	322.05	2.62	-34.59
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CC=C(C=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)CC	REAL250004649976	1	42	-1.0	-38.67	330.45	3.16	-35.51
CC1CCC(=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004649977	0	42	-1.0	-43.15	322.61	3.52	-39.63
CC1CCC(=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004649977	1	42	-1.0	-43.17	322.67	3.52	-39.65
CC(C)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004649978	0	41	-1.0	-38.03	309.01	2.24	-35.79
CC(C)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004649978	1	41	-1.0	-37.98	309.07	2.24	-35.74
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CC1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004649980	0	38	-1.0	-37.89	294.65	2.17	-35.72
CC1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004649980	1	38	-1.0	-37.90	294.71	2.18	-35.72
CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)=C1CCCC1	REAL250004649981	0	42	-1.0	-44.51	316.34	3.22	-41.29
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)=C1CCCC1	REAL250004649981	1	42	-1.0	-44.52	316.40	3.22	-41.30
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(O)CCCCC1	REAL250004649982	0	42	-1.0	-42.53	308.75	-0.23	-42.76
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CCCCC1	REAL250004649982	1	42	-1.0	-42.56	308.82	-0.23	-42.79
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(O)CCCC1	REAL250004649983	0	39	-1.0	-38.15	297.16	-0.92	-39.07
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CCCC1	REAL250004649983	1	39	-1.0	-38.18	297.22	-0.92	-39.10
COCC(C)(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649984	0	39	-1.0	-40.97	304.78	-3.21	-44.18
COCC(C)(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649984	1	39	-1.0	-40.96	304.84	-3.20	-44.16
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004649985	0	35	-1.0	-38.45	275.06	1.32	-37.13
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004649985	1	35	-1.0	-38.44	275.12	1.33	-37.11
CN1C=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004649986	0	35	-1.0	-47.85	286.24	2.39	-45.46
CN1C=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004649986	1	35	-1.0	-47.86	286.18	2.39	-45.47
COC(=O)CC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649987	0	40	-1.0	-39.42	319.18	1.48	-37.94
COC(=O)CC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649987	1	40	-1.0	-39.40	319.23	1.48	-37.92
CC1=C(C)OC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004649988	0	38	-1.0	-40.23	307.75	2.12	-38.11
CC1=C(C)OC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004649988	1	38	-1.0	-40.25	307.81	2.12	-38.13
C=CCC(CC=C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649989	0	42	-1.0	-37.42	327.91	2.75	-34.67
C=CCC(CC=C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649989	1	42	-1.0	-37.46	327.97	2.76	-34.70
CC1=CC(C)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N1	REAL250004649990	0	39	-1.0	-39.85	316.34	1.37	-38.48
CC1=CC(C)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N1	REAL250004649990	1	39	-1.0	-39.91	316.40	1.38	-38.53
CCC1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004649991	0	42	-1.0	-47.29	323.28	2.29	-45.00
CCC1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004649991	1	42	-1.0	-47.28	323.34	2.30	-44.98
CCC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCC1	REAL250004649992	0	44	-1.0	-38.19	318.30	2.81	-35.38
CCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCC1	REAL250004649992	1	44	-1.0	-38.20	318.36	2.81	-35.39
O=C(C(C1CC1)C1CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649993	0	42	-1.0	-37.69	327.92	3.74	-33.95
O=C(C(C1CC1)C1CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649993	1	42	-1.0	-37.72	327.98	3.74	-33.98
CC(C)(C)C(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649994	0	41	-1.0	-36.56	297.97	-0.47	-37.03
CC(C)(C)C(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649994	1	41	-1.0	-36.58	298.03	-0.46	-37.04
CC1(C)C[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649995	0	38	-1.0	-38.07	294.85	2.25	-35.82
CC1(C)C[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649995	1	38	-1.0	-38.05	294.91	2.25	-35.80
CNC(=O)NCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649996	0	37	-1.0	-42.25	301.04	-3.74	-45.99
CNC(=O)NCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649996	1	37	-1.0	-42.21	301.10	-3.73	-45.94
O=C(C1CCO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649997	0	33	-1.0	-41.22	264.26	-0.18	-41.40
O=C(C1CCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649997	1	33	-1.0	-41.23	264.32	-0.18	-41.41
CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N=C1	REAL250004649998	0	37	-1.0	-44.36	300.07	1.99	-42.37
CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N=C1	REAL250004649998	1	37	-1.0	-44.36	300.00	1.99	-42.37
CC1=CC=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004649999	0	38	-1.0	-42.12	311.23	2.28	-39.84
CC1=CC=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004649999	1	38	-1.0	-42.13	311.29	2.29	-39.84
CCCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)C	REAL250004650000	0	46	-1.0	-37.28	333.19	3.06	-34.22
CCCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)C	REAL250004650000	1	46	-1.0	-37.32	333.25	3.07	-34.25
CCC(C)C(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650001	0	41	-1.0	-37.31	305.91	-0.48	-37.79
CCC(C)C(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650001	1	41	-1.0	-37.34	305.97	-0.47	-37.81
NC(=O)NC(CO)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650002	0	38	-1.0	-43.29	308.07	-7.82	-51.11
NC(=O)NC(CO)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650002	1	38	-1.0	-43.32	308.13	-7.82	-51.14
O=C(C1CC(=O)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650003	0	34	-1.0	-39.05	276.60	0.33	-38.72
O=C(C1CC(=O)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650003	1	34	-1.0	-39.02	276.66	0.33	-38.69
CN1CCOCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650004	0	41	-1.0	-38.84	312.70	-2.12	-40.96
CN1CCOCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650004	1	41	-1.0	-38.85	312.76	-2.11	-40.96
CC(C)(F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650005	0	34	-1.0	-38.38	267.76	0.36	-38.02
CC(C)(F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650005	1	34	-1.0	-38.40	267.82	0.36	-38.04
O=C(C1=CN=CO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650006	0	31	-1.0	-39.83	259.11	-2.97	-42.80
O=C(C1=CN=CO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650006	1	31	-1.0	-39.82	259.05	-2.97	-42.79
CCCC(CCC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650007	0	46	-1.0	-37.41	341.61	3.06	-34.35
CCCC(CCC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650007	1	46	-1.0	-37.44	341.67	3.06	-34.38
CC1=NN=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650008	0	36	-1.0	-40.09	293.14	0.10	-39.99
CC1=NN=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650008	1	36	-1.0	-40.08	293.20	0.11	-39.97
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCO1	REAL250004650009	0	40	-1.0	-39.50	313.35	1.74	-37.76
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCO1	REAL250004650009	1	40	-1.0	-39.49	313.41	1.74	-37.75
COCC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650010	0	41	-1.0	-37.08	308.36	-0.28	-37.36
COCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650010	1	41	-1.0	-37.05	308.42	-0.27	-37.32
O=C(CN1CCOCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650012	0	41	-1.0	-39.21	315.04	-1.73	-40.94
O=C(CN1CCOCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650012	1	41	-1.0	-39.22	315.10	-1.73	-40.95
CSC(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650013	0	38	-1.0	-39.89	309.09	2.12	-37.77
CSC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650013	1	38	-1.0	-39.87	309.14	2.12	-37.75
NC(=O)NC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650014	0	38	-1.0	-46.69	308.48	-2.80	-49.49
NC(=O)NC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650014	1	38	-1.0	-46.67	308.54	-2.79	-49.46
COCCC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650015	0	42	-1.0	-39.09	330.14	1.07	-38.02
COCCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650015	1	42	-1.0	-39.09	330.20	1.07	-38.02
CCC(SC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650016	0	38	-1.0	-43.60	307.69	1.88	-41.72
CCC(SC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650016	1	38	-1.0	-43.60	307.75	1.88	-41.72
CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N1C=CC=C1	REAL250004650017	0	39	-1.0	-46.19	307.90	2.40	-43.79
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)N1C=CC=C1	REAL250004650017	1	39	-1.0	-46.24	307.96	2.41	-43.83
CCN(CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CC1	REAL250004650018	1	43	-1.0	-38.05	319.99	0.33	-37.72
CCN(CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004650018	1	43	-1.0	-38.05	320.05	0.33	-37.72
O=C(C1=NNC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650019	0	31	-1.0	-48.89	258.58	0.30	-48.59
O=C(C1=NNC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650019	1	31	-1.0	-48.92	258.64	0.30	-48.62
C=CC(=O)NCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650020	0	39	-1.0	-45.35	320.47	-1.17	-46.52
C=CC(=O)NCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650020	1	39	-1.0	-45.38	320.53	-1.16	-46.54
CC1(OCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650021	0	42	-1.0	-40.51	325.76	2.50	-38.01
CC1(OCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004650021	1	42	-1.0	-40.52	325.82	2.50	-38.02
O=C(C1CCCCO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650022	0	39	-1.0	-40.14	297.94	1.44	-38.70
O=C(C1CCCCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650022	1	39	-1.0	-40.17	298.01	1.44	-38.73
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650023	0	39	-1.0	-44.92	296.92	2.19	-42.73
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004650023	1	39	-1.0	-44.96	296.98	2.19	-42.77
CC1=NNC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1=O	REAL250004650024	0	36	-1.0	-44.04	296.20	-2.37	-46.41
CC1=NNC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1=O	REAL250004650024	1	36	-1.0	-44.00	296.26	-2.37	-46.37
CCC(C)OCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650025	0	41	-1.0	-39.78	323.13	1.88	-37.90
CCC(C)OCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650025	1	41	-1.0	-39.80	323.19	1.88	-37.92
CC(C)C(O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650026	0	41	-1.0	-39.77	316.36	-0.37	-40.14
CC(C)C(O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650026	1	41	-1.0	-39.80	316.42	-0.36	-40.16
O=C(CC1COC(=O)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650028	0	38	-1.0	-42.89	305.46	1.56	-41.33
O=C(CC1COC(=O)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650028	1	38	-1.0	-42.89	305.52	1.56	-41.33
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=NC=N1	REAL250004650029	0	36	-1.0	-42.19	294.74	1.80	-40.39
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=NC=N1	REAL250004650029	1	36	-1.0	-42.19	294.80	1.80	-40.39
O=C(CC1=CC=CO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650031	0	35	-1.0	-41.63	289.32	1.46	-40.17
O=C(CC1=CC=CO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650031	1	35	-1.0	-41.64	289.38	1.46	-40.18
CCCC(O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650032	0	41	-1.0	-40.00	321.19	-0.11	-40.11
CCCC(O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650032	1	41	-1.0	-40.04	321.25	-0.10	-40.14
CC1(C)CC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650033	0	38	-1.0	-38.02	295.12	2.26	-35.76
CC1(C)CC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650033	1	38	-1.0	-37.98	295.17	2.27	-35.71
N#CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N1	REAL250004650034	0	34	-1.0	-42.06	289.15	0.89	-41.17
N#CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N1	REAL250004650034	1	34	-1.0	-42.08	289.21	0.90	-41.18
CCOC=C(C#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650035	0	37	-1.0	-43.80	313.48	0.35	-43.45
CCOC=C(C#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650035	1	37	-1.0	-43.78	313.54	0.35	-43.43
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCC(CC1)C2	REAL250004650036	0	42	-1.0	-37.83	308.10	2.44	-35.39
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCC(CC1)C2	REAL250004650036	1	42	-1.0	-37.82	308.16	2.45	-35.37
CCC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CO1	REAL250004650037	0	37	-1.0	-41.45	303.42	-0.36	-41.81
CCC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CO1	REAL250004650037	1	37	-1.0	-41.44	303.48	-0.35	-41.79
COC(=O)CCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650038	0	40	-1.0	-43.79	324.48	1.57	-42.22
COC(=O)CCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650038	1	40	-1.0	-43.79	324.54	1.57	-42.22
O=C(C1=CC=C(F)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650039	0	34	-1.0	-41.79	285.04	1.42	-40.37
O=C(C1=CC=C(F)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650039	1	34	-1.0	-41.80	284.97	1.42	-40.38
CCC(C)=C(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650040	0	41	-1.0	-38.34	319.78	2.66	-35.68
CCC(C)=C(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650040	1	41	-1.0	-38.33	319.84	2.67	-35.66
O=C(CCCCO)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650041	0	38	-1.0	-39.44	301.93	-1.80	-41.24
O=C(CCCCO)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650041	1	38	-1.0	-39.38	302.00	-1.79	-41.17
CC1=NSC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650042	0	34	-1.0	-38.18	287.57	0.62	-37.56
CC1=NSC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650042	1	34	-1.0	-38.24	287.63	0.62	-37.62
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CSC(C)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650054	0	41	-1.0	-39.00	329.99	2.53	-36.47
CSC(C)CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650054	1	41	-1.0	-39.00	330.05	2.54	-36.46
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CC(Cl)(Cl)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650057	0	31	-1.0	-36.85	273.29	0.72	-36.13
CC(Cl)(Cl)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650057	1	31	-1.0	-36.85	273.35	0.72	-36.13
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CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N1C=NC=N1	REAL250004650060	0	37	-1.0	-42.80	300.82	2.18	-40.62
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)N1C=NC=N1	REAL250004650060	1	37	-1.0	-42.80	300.88	2.18	-40.62
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C#CCOCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650064	0	37	-1.0	-39.51	308.83	0.57	-38.94
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CC1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650068	0	41	-1.0	-43.39	309.09	2.62	-40.77
CC1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650068	1	41	-1.0	-43.39	309.15	2.63	-40.76
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O=C(C1CC12CCOC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650071	1	40	-1.0	-39.52	314.36	0.56	-38.96
CN1N=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1N	REAL250004650072	0	37	-1.0	-42.56	300.38	-1.07	-43.63
CN1N=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1N	REAL250004650072	1	37	-1.0	-42.59	300.32	-1.07	-43.66
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CCC(C)(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650074	0	43	-1.0	-37.40	307.18	1.57	-35.83
CCC(C)(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650074	1	43	-1.0	-37.42	307.24	1.58	-35.84
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COC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650076	0	38	-1.0	-40.01	309.90	1.50	-38.51
COC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650076	1	38	-1.0	-40.05	309.96	1.51	-38.54
CC#CCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650077	0	39	-1.0	-40.58	318.12	3.01	-37.57
CC#CCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650077	1	39	-1.0	-40.58	318.18	3.01	-37.57
C#CCC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650078	0	39	-1.0	-37.24	300.08	1.68	-35.56
C#CCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650078	1	39	-1.0	-37.30	300.14	1.69	-35.61
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCOC1	REAL250004650079	0	39	-1.0	-42.93	292.11	-0.65	-43.58
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCOC1	REAL250004650079	1	39	-1.0	-42.94	292.17	-0.65	-43.59
COCCC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650080	0	44	-1.0	-46.74	325.62	0.22	-46.52
COCCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650080	1	44	-1.0	-46.74	325.68	0.23	-46.51
O=C(C1C=CCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650081	0	39	-1.0	-42.67	301.22	2.65	-40.02
O=C(C1C=CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650081	1	39	-1.0	-42.67	301.28	2.66	-40.01
COC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650082	0	39	-1.0	-38.08	301.07	0.69	-37.39
COC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004650082	1	39	-1.0	-38.01	301.12	0.70	-37.31
COC1=NOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004650083	0	35	-1.0	-38.66	292.46	-2.19	-40.85
COC1=NOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004650083	1	35	-1.0	-38.64	292.40	-2.21	-40.85
CCNC(=O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650084	0	38	-1.0	-47.42	306.11	0.19	-47.23
CCNC(=O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650084	1	38	-1.0	-47.44	306.16	0.19	-47.25
CNC(=O)CCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650085	0	41	-1.0	-47.01	328.63	-0.92	-47.93
CNC(=O)CCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650085	1	41	-1.0	-46.99	328.69	-0.91	-47.90
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCOC1	REAL250004650086	0	42	-1.0	-40.46	307.98	1.11	-39.35
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCOC1	REAL250004650086	1	42	-1.0	-40.46	308.04	1.11	-39.35
C#CCCCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650087	0	42	-1.0	-39.44	339.29	3.61	-35.83
C#CCCCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650087	1	42	-1.0	-39.45	339.35	3.62	-35.83
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CC1(C)CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650089	0	44	-1.0	-37.32	330.89	2.91	-34.41
CC1(C)CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650089	1	44	-1.0	-37.31	330.95	2.91	-34.40
COC(C)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650090	0	41	-1.0	-38.79	322.23	0.60	-38.19
COC(C)CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650090	1	41	-1.0	-38.81	322.29	0.60	-38.21
CCC(C)C(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650091	0	43	-1.0	-37.46	320.99	2.25	-35.21
CCC(C)C(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650091	1	43	-1.0	-37.45	321.05	2.26	-35.19
CC(C)OCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650092	0	44	-1.0	-39.45	344.82	1.53	-37.92
CC(C)OCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650092	1	44	-1.0	-39.45	344.88	1.54	-37.91
CN1C(=O)CC[C@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650093	0	39	-1.0	-42.37	306.96	-0.16	-42.53
CN1C(=O)CC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650093	1	39	-1.0	-42.38	307.03	-0.15	-42.53
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COC1(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650095	0	42	-1.0	-40.24	322.03	1.89	-38.35
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CC1OCCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650096	1	42	-1.0	-47.19	312.37	1.63	-45.56
C#CCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650097	0	36	-1.0	-39.81	296.29	2.05	-37.76
C#CCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650097	1	36	-1.0	-39.80	296.36	2.06	-37.74
CC(=O)OC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650098	0	38	-1.0	-42.10	312.31	1.87	-40.23
CC(=O)OC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650098	1	38	-1.0	-42.14	312.37	1.88	-40.26
CC1(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650099	0	38	-1.0	-37.98	298.76	2.36	-35.62
CC1(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650099	1	38	-1.0	-37.95	298.81	2.36	-35.59
CCC(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650101	0	40	-1.0	-37.23	303.97	2.01	-35.22
CCC(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650101	1	40	-1.0	-37.25	304.04	2.02	-35.23
CC(F)(F)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650102	0	34	-1.0	-41.84	279.42	0.95	-40.89
CC(F)(F)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650102	1	34	-1.0	-41.81	279.48	0.96	-40.85
CCC(C(=O)OC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650103	0	40	-1.0	-42.36	317.30	1.24	-41.12
CCC(C(=O)OC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650103	1	40	-1.0	-42.34	317.36	1.24	-41.10
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCCC1	REAL250004650104	0	44	-1.0	-43.56	312.40	2.61	-40.95
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCCC1	REAL250004650104	1	44	-1.0	-43.53	312.46	2.61	-40.92
O=C(CCN1C=CN=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650105	0	37	-1.0	-43.81	303.74	-0.28	-44.09
O=C(CCN1C=CN=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650105	1	37	-1.0	-43.78	303.80	-0.27	-44.05
O=C(CC1OCCCO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650106	0	40	-1.0	-40.64	313.88	0.72	-39.92
O=C(CC1OCCCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650106	1	40	-1.0	-40.68	313.94	0.72	-39.96
O=C(CC1OCCO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650107	0	37	-1.0	-40.90	295.68	-0.22	-41.12
O=C(CC1OCCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650107	1	37	-1.0	-40.88	295.75	-0.21	-41.09
C=CC(C)(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650108	0	41	-1.0	-37.39	300.74	1.61	-35.78
C=CC(C)(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650108	1	41	-1.0	-37.41	300.80	1.61	-35.80
C[C@@H]1C[C@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650109	0	35	-1.0	-38.46	279.93	1.74	-36.72
C[C@@H]1C[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650109	1	35	-1.0	-38.48	279.99	1.74	-36.74
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CO1	REAL250004650110	0	35	-1.0	-39.42	284.90	0.77	-38.65
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CO1	REAL250004650110	1	35	-1.0	-39.45	284.96	0.77	-38.68
O=C(C=CC1=CC=CN1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650111	0	37	-1.0	-46.63	301.41	1.34	-45.29
O=C(C=CC1=CC=CN1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650111	1	37	-1.0	-46.63	301.47	1.35	-45.28
O=C(CCC1=CNC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650112	0	38	-1.0	-43.41	308.24	1.31	-42.10
O=C(CCC1=CNC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650112	1	38	-1.0	-43.44	308.30	1.32	-42.12
O=C(CCC1=CN=CN1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650112	1	38	-1.0	-42.07	308.30	1.29	-40.78
O=C(C=CC1=CNC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650113	0	36	-1.0	-48.75	298.14	1.19	-47.56
O=C(C=CC1=CNC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650113	1	36	-1.0	-48.77	298.20	1.20	-47.57
CC(=O)N1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650114	0	39	-1.0	-43.06	313.98	-0.34	-43.40
CC(=O)N1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650114	1	39	-1.0	-43.04	314.04	-0.34	-43.38
O=C(NCC1CC1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650115	0	39	-1.0	-39.59	315.25	-0.91	-40.50
O=C(NCC1CC1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650115	1	39	-1.0	-39.60	315.31	-0.91	-40.51
O=C(C1=CCCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650116	0	39	-1.0	-38.59	304.28	2.64	-35.95
O=C(C1=CCCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650116	1	39	-1.0	-38.63	304.34	2.64	-35.99
CC(C)C1(C)CC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650117	0	44	-1.0	-37.30	325.86	3.00	-34.30
CC(C)C1(C)CC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650117	1	44	-1.0	-37.27	325.92	3.00	-34.27
O=C(CC1=COC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650118	0	35	-1.0	-40.22	288.26	0.93	-39.29
O=C(CC1=COC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650118	1	35	-1.0	-40.19	288.32	0.94	-39.25
O=C(CC1=CN=CS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650119	0	34	-1.0	-40.92	293.28	0.56	-40.36
O=C(CC1=CN=CS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650119	1	34	-1.0	-40.93	293.35	0.56	-40.37
CC(C)C(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650120	0	43	-1.0	-37.52	306.52	1.55	-35.97
CC(C)C(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650120	1	43	-1.0	-37.58	306.58	1.55	-36.03
CC1=NNN=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650121	0	34	-1.0	-41.19	275.72	-1.85	-43.04
CC1=NNN=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650121	1	34	-1.0	-41.19	275.78	-1.84	-43.03
CC1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CO1	REAL250004650122	0	39	-1.0	-38.27	300.72	0.29	-37.98
CC1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CO1	REAL250004650122	1	39	-1.0	-38.26	300.76	0.31	-37.95
CC(C)C(F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650123	0	37	-1.0	-37.71	289.39	1.67	-36.04
CC(C)C(F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650123	1	37	-1.0	-37.77	289.45	1.68	-36.09
CC1OC(=O)NC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650124	0	37	-1.0	-43.46	290.96	-2.41	-45.87
CC1OC(=O)NC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650124	1	37	-1.0	-43.41	291.02	-2.41	-45.82
CC(C)(CO)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650125	0	38	-1.0	-37.71	286.11	-2.68	-40.39
CC(C)(CO)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650125	1	38	-1.0	-37.74	286.17	-2.67	-40.41
CCN1N=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650126	0	38	-1.0	-39.04	303.22	0.90	-38.14
CCN1N=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650126	1	38	-1.0	-39.02	303.16	0.90	-38.12
O=C(C1=CCCCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650127	0	42	-1.0	-38.36	318.38	2.82	-35.54
O=C(C1=CCCCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650127	1	42	-1.0	-38.37	318.44	2.83	-35.54
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N(C)C=C1	REAL250004650128	0	39	-1.0	-40.92	316.23	2.47	-38.45
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N(C)C=C1	REAL250004650128	1	39	-1.0	-40.92	316.29	2.48	-38.44
CC(C)C(C)(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650129	0	41	-1.0	-37.83	302.58	-1.01	-38.84
CC(C)C(C)(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650129	1	41	-1.0	-37.79	302.64	-1.01	-38.80
COC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)C	REAL250004650130	0	41	-1.0	-39.53	310.41	1.37	-38.16
COC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)C	REAL250004650130	1	41	-1.0	-39.57	310.47	1.37	-38.20
CN1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1=O	REAL250004650131	0	39	-1.0	-43.96	304.21	-0.28	-44.24
CN1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1=O	REAL250004650131	1	39	-1.0	-43.98	304.27	-0.28	-44.26
CC1(C)CCCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650132	0	44	-1.0	-37.69	321.86	2.86	-34.83
CC1(C)CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650132	1	44	-1.0	-37.70	321.92	2.87	-34.83
CC(C)(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650133	0	35	-1.0	-41.15	273.75	-2.21	-43.36
CC(C)(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650133	1	35	-1.0	-41.16	273.81	-2.20	-43.36
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(O)CCOCC1	REAL250004650134	0	40	-1.0	-38.64	304.72	-2.62	-41.26
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CCOCC1	REAL250004650134	1	40	-1.0	-38.61	304.78	-2.62	-41.23
CN1C=NC=C1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650135	0	38	-1.0	-44.30	309.13	2.42	-41.88
CN1C=NC=C1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650135	1	38	-1.0	-44.33	309.19	2.43	-41.90
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CNC(=O)C1	REAL250004650136	0	39	-1.0	-41.44	299.05	-2.39	-43.83
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CNC(=O)C1	REAL250004650136	1	39	-1.0	-41.47	299.12	-2.38	-43.85
CC(C)(O)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650137	0	41	-1.0	-38.40	317.39	-1.24	-39.64
CC(C)(O)CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650137	1	41	-1.0	-38.40	317.46	-1.23	-39.63
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(F)CCCC1	REAL250004650138	0	38	-1.0	-40.64	292.44	2.01	-38.63
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(F)CCCC1	REAL250004650138	1	38	-1.0	-40.64	292.50	2.02	-38.62
C[C@H]1C[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650139	0	35	-1.0	-43.53	279.66	1.71	-41.82
C[C@H]1C[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650139	1	35	-1.0	-43.50	279.72	1.72	-41.78
O=C(C1=CC=NC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650140	0	33	-1.0	-42.59	273.11	1.20	-41.39
O=C(C1=CC=NC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650140	1	33	-1.0	-42.60	273.05	1.19	-41.41
O=C(CC1C=CCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650141	0	42	-1.0	-38.77	320.76	3.48	-35.29
O=C(CC1C=CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650141	1	42	-1.0	-38.80	320.82	3.49	-35.31
CC1CCCC1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650142	0	44	-1.0	-37.94	326.16	3.38	-34.56
CC1CCCC1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650142	1	44	-1.0	-37.94	326.22	3.38	-34.56
CN1C(=O)CCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650143	0	39	-1.0	-42.27	310.33	0.22	-42.05
CN1C(=O)CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650143	1	39	-1.0	-42.23	310.39	0.22	-42.01
CC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CO1	REAL250004650144	0	34	-1.0	-41.80	281.92	-1.12	-42.92
CC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CO1	REAL250004650144	1	34	-1.0	-41.81	281.99	-1.12	-42.93
C[C@H](NC(N)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650145	0	37	-1.0	-43.52	298.22	-4.19	-47.71
C[C@H](NC(N)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650145	1	37	-1.0	-43.56	298.28	-4.19	-47.75
CC(=O)OC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650146	0	40	-1.0	-38.49	310.68	1.47	-37.02
CC(=O)OC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650146	1	40	-1.0	-38.48	310.74	1.47	-37.01
O=C(C1CCC(F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650147	0	38	-1.0	-40.43	296.34	1.86	-38.57
O=C(C1CCC(F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650147	1	38	-1.0	-40.40	296.40	1.86	-38.54
O=C([C@H]1CCCC(=O)N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650148	0	39	-1.0	-42.95	305.35	-1.01	-43.96
O=C([C@H]1CCCC(=O)N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650148	1	39	-1.0	-42.96	305.41	-1.00	-43.96
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(F)CCC1	REAL250004650149	0	35	-1.0	-40.68	278.36	1.53	-39.15
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(F)CCC1	REAL250004650149	1	35	-1.0	-40.65	278.42	1.53	-39.12
CCOCC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650150	0	42	-1.0	-41.14	332.28	1.46	-39.68
CCOCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650150	1	42	-1.0	-41.16	332.34	1.46	-39.70
CC1CC(C)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004650151	0	42	-1.0	-40.58	319.42	2.06	-38.52
CC1CC(C)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004650151	1	42	-1.0	-40.59	319.48	2.06	-38.53
CCCC(C)(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650152	0	46	-1.0	-37.38	328.66	2.34	-35.04
CCCC(C)(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650152	1	46	-1.0	-37.41	328.72	2.34	-35.07
O=C(C1=CC=C(F)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650153	0	34	-1.0	-41.79	285.04	1.42	-40.37
O=C(C1=CC=C(F)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650153	1	34	-1.0	-41.80	284.97	1.42	-40.38
CSCC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650154	0	41	-1.0	-36.83	316.64	1.63	-35.20
CSCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650154	1	41	-1.0	-36.83	316.70	1.64	-35.19
O=C([C@H]1C[C@@H]1C(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650155	0	35	-1.0	-41.35	292.72	1.98	-39.37
O=C([C@H]1C[C@@H]1C(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650155	1	35	-1.0	-41.36	292.78	1.99	-39.37
CCCCC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650156	0	43	-1.0	-37.84	329.58	3.04	-34.80
CCCCC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650156	1	43	-1.0	-37.81	329.64	3.04	-34.77
CC(CC(N)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650157	0	38	-1.0	-41.55	301.39	-2.39	-43.94
CC(CC(N)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650157	1	38	-1.0	-41.58	301.45	-2.40	-43.98
CN1N=NC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650158	0	34	-1.0	-39.70	275.67	-1.42	-41.12
CN1N=NC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650158	1	34	-1.0	-39.69	275.61	-1.42	-41.11
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CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)NC=N1	REAL250004650162	1	38	-1.0	-43.91	309.01	1.39	-42.52
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CC(C)(C#N)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650164	0	38	-1.0	-38.01	300.00	1.48	-36.53
CC(C)(C#N)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650164	1	38	-1.0	-38.00	300.06	1.49	-36.51
CCC(C)(OC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650165	0	41	-1.0	-46.46	303.73	0.92	-45.54
CCC(C)(OC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650165	1	41	-1.0	-46.45	303.79	0.93	-45.52
CC1(C)CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004650166	0	42	-1.0	-40.56	322.30	2.09	-38.47
CC1(C)CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004650166	1	42	-1.0	-40.56	322.36	2.09	-38.47
CCN1C=CN=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650167	0	38	-1.0	-43.69	302.32	2.14	-41.55
CCN1C=CN=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650167	1	38	-1.0	-43.72	302.26	2.13	-41.59
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)NC=C1	REAL250004650168	0	36	-1.0	-40.11	293.89	0.78	-39.33
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)NC=C1	REAL250004650168	1	36	-1.0	-40.09	293.95	0.78	-39.31
CCC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=CO1	REAL250004650169	0	38	-1.0	-43.31	307.50	1.95	-41.36
CCC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CO1	REAL250004650169	1	38	-1.0	-43.30	307.56	1.95	-41.35
C#CC1=CN=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004650170	0	36	-1.0	-40.45	304.42	1.54	-38.91
C#CC1=CN=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004650170	1	36	-1.0	-40.44	304.48	1.55	-38.89
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CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC=N1	REAL250004650173	0	37	-1.0	-39.19	298.72	0.76	-38.43
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004650173	1	37	-1.0	-39.22	298.78	0.77	-38.45
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O=C(CC1CCCOC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650177	0	42	-1.0	-39.98	319.44	1.23	-38.75
O=C(CC1CCCOC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650177	1	42	-1.0	-39.94	319.50	1.23	-38.71
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=CN1C	REAL250004650178	0	39	-1.0	-42.79	309.21	2.44	-40.35
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CN1C	REAL250004650178	1	39	-1.0	-42.78	309.27	2.44	-40.34
C=CC(C)(O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650179	0	39	-1.0	-37.56	303.59	0.25	-37.31
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CC(=O)CSCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650180	0	37	-1.0	-45.70	314.96	1.27	-44.43
CC(=O)CSCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650180	1	37	-1.0	-45.68	315.02	1.27	-44.41
CC1COCCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650181	0	42	-1.0	-45.36	318.44	0.48	-44.88
CC1COCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650181	1	42	-1.0	-45.34	318.50	0.50	-44.84
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=NS1	REAL250004650182	0	34	-1.0	-41.30	289.14	1.14	-40.16
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=NS1	REAL250004650182	1	34	-1.0	-41.29	289.20	1.15	-40.14
CC(C)(C(N)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650183	0	38	-1.0	-45.93	287.46	-3.08	-49.01
CC(C)(C(N)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650183	1	38	-1.0	-45.95	287.52	-3.07	-49.02
CSC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650184	0	39	-1.0	-37.87	313.01	2.26	-35.61
CSC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004650184	1	39	-1.0	-37.89	313.07	2.27	-35.62
CC1=CC=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL250004650185	0	36	-1.0	-48.61	296.28	0.43	-48.18
CC1=CC=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL250004650185	1	36	-1.0	-48.65	296.34	0.43	-48.22
CC(C)(O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650186	0	38	-1.0	-39.76	294.51	-0.94	-40.70
CC(C)(O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650186	1	38	-1.0	-39.78	294.57	-0.93	-40.71
O=C(CCC(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650187	0	34	-1.0	-39.02	281.67	1.02	-38.00
O=C(CCC(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650187	1	34	-1.0	-38.99	281.73	1.03	-37.96
CC=C(CC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650188	0	38	-1.0	-38.44	300.90	1.82	-36.62
CC=C(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650188	1	38	-1.0	-38.40	300.96	1.83	-36.57
CN1C=NC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650189	0	35	-1.0	-42.18	280.77	1.36	-40.82
CN1C=NC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650189	1	35	-1.0	-42.20	280.83	1.37	-40.83
COC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CC1	REAL250004650190	0	39	-1.0	-38.87	306.08	1.79	-37.08
COC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004650190	1	39	-1.0	-38.81	306.13	1.79	-37.02
CC(C)(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(F)F	REAL250004650191	0	37	-1.0	-43.82	286.48	0.81	-43.01
CC(C)(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(F)F	REAL250004650191	1	37	-1.0	-43.85	286.54	0.82	-43.03
COC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCC1	REAL250004650192	0	42	-1.0	-41.00	313.09	1.28	-39.72
COC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCC1	REAL250004650192	1	42	-1.0	-41.01	313.15	1.28	-39.73
CCC(C)C(OC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650193	0	44	-1.0	-39.55	330.91	2.05	-37.50
CCC(C)C(OC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650193	1	44	-1.0	-39.54	330.97	2.05	-37.49
O=C(C[C@H]1CCOC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650195	0	39	-1.0	-39.78	303.05	0.45	-39.33
O=C(C[C@H]1CCOC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650195	1	39	-1.0	-39.77	303.11	0.46	-39.31
O=C(C1=C(Cl)OC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650196	0	32	-1.0	-44.61	282.57	0.98	-43.63
O=C(C1=C(Cl)OC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650196	1	32	-1.0	-44.59	282.63	0.98	-43.61
CSC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650197	0	36	-1.0	-37.74	298.38	1.51	-36.23
CSC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650197	1	36	-1.0	-37.72	298.44	1.52	-36.20
CC(C)[C@H](O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650199	0	38	-1.0	-37.74	285.22	-0.73	-38.47
CC(C)[C@H](O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650199	1	38	-1.0	-37.73	285.28	-0.72	-38.45
CCC(C)CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650200	0	43	-1.0	-37.44	326.31	2.71	-34.73
CCC(C)CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650200	1	43	-1.0	-37.41	326.37	2.71	-34.70
CC1=NOC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004650201	0	37	-1.0	-43.03	305.50	1.51	-41.52
CC1=NOC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004650201	1	37	-1.0	-43.02	305.56	1.51	-41.51
O=C(C(O)C1CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650202	0	36	-1.0	-37.95	284.13	-0.64	-38.59
O=C(C(O)C1CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650202	1	36	-1.0	-37.90	284.20	-0.64	-38.54
CCC1OCCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650203	0	42	-1.0	-37.82	325.08	1.12	-36.70
CCC1OCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650203	1	42	-1.0	-37.80	325.14	1.12	-36.68
COC(=O)COCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650204	0	38	-1.0	-47.18	316.60	0.82	-46.36
COC(=O)COCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650204	1	38	-1.0	-47.16	316.66	0.83	-46.33
CC(C)[C@@H](O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650205	0	38	-1.0	-43.55	290.98	-0.88	-44.43
CC(C)[C@@H](O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650205	1	38	-1.0	-43.57	291.04	-0.88	-44.45
CC(O)(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CC1	REAL250004650206	0	39	-1.0	-41.42	298.69	-0.91	-42.33
CC(O)(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004650206	1	39	-1.0	-41.42	298.75	-0.90	-42.32
CC1(C)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650207	0	41	-1.0	-37.43	307.10	2.12	-35.31
CC1(C)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650207	1	41	-1.0	-37.43	307.16	2.12	-35.31
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CS1	REAL250004650208	0	35	-1.0	-43.73	294.77	1.69	-42.04
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CS1	REAL250004650208	1	35	-1.0	-43.74	294.83	1.69	-42.05
CC1=COC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1C	REAL250004650209	0	38	-1.0	-40.27	304.78	2.02	-38.25
CC1=COC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1C	REAL250004650209	1	38	-1.0	-40.27	304.84	2.02	-38.25
CCC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=CN1	REAL250004650210	0	39	-1.0	-45.56	308.82	1.53	-44.03
CCC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CN1	REAL250004650210	1	39	-1.0	-45.51	308.88	1.53	-43.98
CCC(C)(C#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650211	0	38	-1.0	-41.97	295.58	0.66	-41.31
CCC(C)(C#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650211	1	38	-1.0	-41.99	295.64	0.67	-41.32
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O=C(COC(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650212	1	32	-1.0	-40.21	271.89	-0.27	-40.48
COCC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC1	REAL250004650213	0	42	-1.0	-39.99	317.52	1.28	-38.71
COCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004650213	1	42	-1.0	-40.00	317.58	1.28	-38.72
CN1N=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL250004650214	0	34	-1.0	-40.47	280.64	-1.31	-41.78
CN1N=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL250004650214	1	34	-1.0	-40.48	280.58	-1.31	-41.79
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O=C(C1COC(=O)N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650215	1	34	-1.0	-44.62	280.15	-3.18	-47.80
CC1=COC(C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650216	0	38	-1.0	-40.57	312.94	1.96	-38.61
CC1=COC(C)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650216	1	38	-1.0	-40.60	313.00	1.97	-38.63
CON=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650217	0	32	-1.0	-44.63	268.85	-1.51	-46.14
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CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CCC1	REAL250004650315	0	41	-1.0	-38.10	313.49	2.78	-35.32
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004650315	1	41	-1.0	-38.11	313.55	2.78	-35.33
CCC(C)(C)OCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650316	0	44	-1.0	-39.69	333.21	2.13	-37.56
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CC1CCCCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650336	0	44	-1.0	-42.59	316.60	3.02	-39.57
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COC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650347	1	36	-1.0	-37.99	288.18	-0.22	-38.21
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COCC1(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650350	0	42	-1.0	-38.72	331.76	1.54	-37.18
COCC1(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650350	1	42	-1.0	-38.72	331.82	1.55	-37.17
CN1C=CC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL250004650351	0	38	-1.0	-45.76	310.62	1.08	-44.68
CN1C=CC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL250004650351	1	38	-1.0	-45.74	310.68	1.08	-44.66
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CC1=NOC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650353	0	34	-1.0	-39.50	281.54	0.51	-38.99
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CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)NC=N1	REAL250004650361	1	35	-1.0	-41.44	289.08	0.50	-40.94
CCC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)NC=N1	REAL250004650362	0	38	-1.0	-44.60	304.03	1.62	-42.98
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COC(OC)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650363	0	36	-1.0	-45.32	284.34	-0.53	-45.85
COC(OC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650363	1	36	-1.0	-45.30	284.40	-0.53	-45.83
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C[C@H]1CC[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650368	0	44	-1.0	-43.49	328.42	2.93	-40.56
C[C@H]1CC[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650368	1	44	-1.0	-43.51	328.48	2.94	-40.57
CCC(CO)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650369	0	38	-1.0	-41.08	294.26	-1.86	-42.94
CCC(CO)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650369	1	38	-1.0	-41.07	294.33	-1.86	-42.93
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CCC1=NOC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650372	0	37	-1.0	-39.37	303.04	1.26	-38.11
CCC1=NOC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650372	1	37	-1.0	-39.39	303.10	1.26	-38.13
CCC(C#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650373	0	35	-1.0	-39.36	284.55	0.60	-38.76
CCC(C#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650373	1	35	-1.0	-39.38	284.61	0.60	-38.78
CCCC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650374	0	43	-1.0	-37.36	312.76	1.85	-35.51
CCCC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650374	1	43	-1.0	-37.33	312.82	1.86	-35.47
CC(=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)(C)C	REAL250004650375	0	44	-1.0	-37.87	330.47	2.90	-34.97
CC(=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)(C)C	REAL250004650375	1	44	-1.0	-37.89	330.53	2.90	-34.99
CSC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650376	0	38	-1.0	-39.49	295.99	1.23	-38.26
CSC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650376	1	38	-1.0	-39.46	296.04	1.23	-38.23
CC(C)(O)C(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650377	0	39	-1.0	-38.86	295.71	-3.78	-42.64
CC(C)(O)C(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650377	1	39	-1.0	-38.87	295.77	-3.77	-42.64
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC(=O)C1	REAL250004650378	0	37	-1.0	-38.93	291.28	0.84	-38.09
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC(=O)C1	REAL250004650378	1	37	-1.0	-38.95	291.34	0.84	-38.11
CCC(O)C(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650379	0	41	-1.0	-39.98	315.63	-1.18	-41.16
CCC(O)C(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650379	1	41	-1.0	-39.97	315.69	-1.18	-41.15
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CC=CC(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650381	0	36	-1.0	-37.88	286.45	-0.81	-38.69
CC=CC(O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650381	1	36	-1.0	-37.93	286.51	-0.81	-38.74
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCNC1=O	REAL250004650382	0	39	-1.0	-43.97	296.01	-2.31	-46.28
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCNC1=O	REAL250004650382	1	39	-1.0	-43.91	296.07	-2.31	-46.22
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CC1=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)OC=C1	REAL250004650384	0	38	-1.0	-41.59	309.89	2.10	-39.49
CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)OC=C1	REAL250004650384	1	38	-1.0	-41.61	309.95	2.10	-39.51
CCCCC(C)(F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650385	0	43	-1.0	-37.94	328.93	2.85	-35.09
CCCCC(C)(F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650385	1	43	-1.0	-37.93	328.99	2.85	-35.08
CC1(C)CCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650387	0	41	-1.0	-37.74	307.54	2.50	-35.24
CC1(C)CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650387	1	41	-1.0	-37.76	307.60	2.50	-35.26
CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650388	0	42	-1.0	-40.32	314.70	2.31	-38.01
CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650388	1	42	-1.0	-40.35	314.76	2.31	-38.04
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COC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CO1	REAL250004650390	0	35	-1.0	-43.10	292.92	-2.44	-45.54
COC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CO1	REAL250004650390	1	35	-1.0	-43.10	292.86	-2.45	-45.55
CCCC=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650391	0	38	-1.0	-44.10	302.56	2.08	-42.02
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CC1=NC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004650393	0	34	-1.0	-39.46	282.07	-1.88	-41.34
CC1=NC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004650393	1	34	-1.0	-39.44	282.13	-1.87	-41.31
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CCCC(CC)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650473	1	43	-1.0	-37.50	319.69	2.28	-35.22
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CCCC(O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650637	0	38	-1.0	-37.25	296.28	-0.80	-38.05
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CC1CCC(C)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650639	0	44	-1.0	-38.29	322.05	2.82	-35.47
CC1CCC(C)(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650639	1	44	-1.0	-38.31	322.11	2.83	-35.48
CCSC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650640	0	38	-1.0	-39.10	308.91	1.80	-37.30
CCSC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650640	1	38	-1.0	-39.10	308.97	1.81	-37.29
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CCC1(C)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650642	0	44	-1.0	-37.28	331.04	2.92	-34.36
CCC1(C)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650642	1	44	-1.0	-37.28	331.10	2.92	-34.36
CC(CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(F)F	REAL250004650643	0	37	-1.0	-38.93	296.69	1.57	-37.36
CC(CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(F)F	REAL250004650643	1	37	-1.0	-38.91	296.75	1.58	-37.33
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CCC(F)(F)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650662	0	37	-1.0	-41.73	299.32	1.66	-40.07
CCC(F)(F)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650662	1	37	-1.0	-41.78	299.38	1.67	-40.11
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CCC(CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)OC	REAL250004650665	0	41	-1.0	-38.89	316.10	1.22	-37.67
CCC(CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)OC	REAL250004650665	1	41	-1.0	-38.89	316.16	1.23	-37.66
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CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650667	1	41	-1.0	-37.82	319.14	2.69	-35.13
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CC12CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)(C1)CO2	REAL250004650669	0	40	-1.0	-38.51	308.81	0.46	-38.05
CC12CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)(C1)CO2	REAL250004650669	1	40	-1.0	-38.49	308.88	0.47	-38.02
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CN(C)C(=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650673	0	35	-1.0	-43.04	285.64	-1.47	-44.51
CN(C)C(=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650673	1	35	-1.0	-43.03	285.70	-1.46	-44.49
COC(=O)C(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650674	0	37	-1.0	-42.74	300.38	0.49	-42.25
COC(=O)C(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650674	1	37	-1.0	-42.72	300.44	0.49	-42.23
CC(C)C1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650675	0	44	-1.0	-38.34	336.12	3.51	-34.83
CC(C)C1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650675	1	44	-1.0	-38.32	336.18	3.51	-34.81
CC1=CC=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL250004650676	0	36	-1.0	-48.61	296.28	0.43	-48.18
CC1=CC=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL250004650676	1	36	-1.0	-48.65	296.34	0.43	-48.22
CC(C)(CC#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650677	0	38	-1.0	-38.39	293.80	0.80	-37.59
CC(C)(CC#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650677	1	38	-1.0	-38.41	293.86	0.81	-37.60
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CC1(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)N=N1	REAL250004650679	0	37	-1.0	-38.28	301.21	-3.38	-41.66
CC1(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)N=N1	REAL250004650679	1	37	-1.0	-38.30	301.27	-3.37	-41.67
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CC12CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)(C1)OC2	REAL250004650681	0	40	-1.0	-39.58	311.90	1.05	-38.53
CC12CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)(C1)OC2	REAL250004650681	1	40	-1.0	-39.58	311.96	1.05	-38.53
CC1=CC=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL250004650682	0	37	-1.0	-42.32	300.02	2.00	-40.32
CC1=CC=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004650682	1	37	-1.0	-42.29	300.09	2.00	-40.29
CC1(F)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650683	0	38	-1.0	-37.21	300.66	1.87	-35.34
CC1(F)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650683	1	38	-1.0	-37.24	300.72	1.88	-35.36
CCSCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650684	0	35	-1.0	-39.08	292.05	1.34	-37.74
CCSCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650684	1	35	-1.0	-39.10	292.11	1.35	-37.75
CC1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL250004650685	0	39	-1.0	-40.82	302.44	1.50	-39.32
CC1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL250004650685	1	39	-1.0	-40.83	302.51	1.51	-39.32
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CC1(C)CC1(C#N)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650688	0	39	-1.0	-42.96	314.11	1.86	-41.10
CC1(C)CC1(C#N)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650688	1	39	-1.0	-42.94	314.17	1.86	-41.08
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CCC1=CNC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL250004650690	1	39	-1.0	-45.70	310.19	1.71	-43.99
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CCN(C(=O)CCCC1=N[N-]N=N1)C1CN(C)C1	REAL250004650770	0	37	-1.0	-47.21	287.41	0.54	-46.67
CCN(C(=O)CCCC1=NN=N[N-]1)C1CN(C)C1	REAL250004650770	1	37	-1.0	-47.22	287.47	0.56	-46.66
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CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CN(C)C1	REAL250004650771	1	37	-1.0	-34.96	297.01	1.61	-33.35
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CN(CCC1=NC=CC(=O)N1)C(=O)CCCC1=N[N-]N=N1	REAL250004650773	0	37	-1.0	-53.60	316.63	2.61	-50.99
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CC(C)NC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004650774	1	40	-1.0	-51.00	337.00	-0.86	-51.86
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CN(CC1CCSCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004650776	1	39	-1.0	-48.52	314.45	5.47	-43.05
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C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004650777	1	35	-1.0	-46.69	303.08	4.40	-42.29
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COC(=O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=N[N-]N=N1	REAL250004650781	0	39	-1.0	-59.05	321.53	4.85	-54.20
COC(=O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=NN=N[N-]1	REAL250004650781	1	39	-1.0	-59.03	321.58	4.87	-54.16
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004650782	0	43	-1.0	-48.90	342.38	1.26	-47.64
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004650782	1	43	-1.0	-48.91	342.44	1.28	-47.63
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COC1=CC(C#N)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650784	0	34	-1.0	-47.03	302.57	3.16	-43.87
COC1=CC(C#N)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650784	1	34	-1.0	-47.02	302.63	3.18	-43.84
CC1=NSC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650785	0	28	-1.0	-47.29	255.14	1.71	-45.58
CC1=NSC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650785	1	28	-1.0	-47.32	255.20	1.72	-45.60
CC1=NSC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650786	0	28	-1.0	-34.45	265.72	1.49	-32.96
CC1=NSC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650786	1	28	-1.0	-34.46	265.79	1.50	-32.96
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O=C(CCCC1=N[N-]N=N1)NC1=NN=C(C2CCCC2)N1	REAL250004650788	0	38	-1.0	-46.17	311.90	5.85	-40.32
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O=C(CCCC1=NN=N[N-]1)N1C2C=CC(C2)C1CO	REAL250004650789	1	35	-1.0	-50.87	284.12	2.92	-47.95
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CC1(C)CC(CO)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650791	0	39	-1.0	-49.64	309.10	2.93	-46.71
CC1(C)CC(CO)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650791	1	39	-1.0	-49.68	309.15	2.94	-46.74
CN(CC1=CN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004650792	0	35	-1.0	-46.69	290.12	4.68	-42.01
CN(CC1=CN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004650792	1	35	-1.0	-46.69	290.17	4.69	-42.00
CN(CC1=CN=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650793	0	35	-1.0	-38.26	298.44	5.08	-33.18
CN(CC1=CN=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650793	1	35	-1.0	-38.26	298.52	5.08	-33.18
COC(=O)C1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004650794	0	34	-1.0	-54.37	302.96	2.26	-52.11
COC(=O)C1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004650794	1	34	-1.0	-54.38	302.90	2.24	-52.14
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC1CC1	REAL250004650795	0	36	-1.0	-47.26	307.82	0.67	-46.59
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC1CC1	REAL250004650795	1	36	-1.0	-47.27	307.88	0.68	-46.59
CN1N=C(C2CC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650796	0	36	-1.0	-50.69	305.06	4.10	-46.59
CN1N=C(C2CC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650796	1	36	-1.0	-50.76	305.12	4.12	-46.64
CC(C)CC1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650797	0	38	-1.0	-49.15	305.81	4.74	-44.41
CC(C)CC1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650797	1	38	-1.0	-49.17	305.87	4.76	-44.41
CC(C)CC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650798	0	38	-1.0	-37.82	313.71	4.68	-33.14
CC(C)CC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650798	1	38	-1.0	-37.76	313.78	4.70	-33.06
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CC(C)(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650802	0	42	-1.0	-48.27	323.55	1.75	-46.52
CC(C)(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650802	1	42	-1.0	-48.25	323.61	1.77	-46.48
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2C[C@@]21CO	REAL250004650803	0	37	-1.0	-47.89	291.46	2.92	-44.97
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2C[C@@]21CO	REAL250004650803	1	37	-1.0	-47.90	291.51	2.94	-44.96
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CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004650808	1	33	-1.0	-57.94	298.65	0.53	-57.41
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O=C(CCCC1=N[N-]N=N1)N1CC(CO)C(CCO)C1	REAL250004650810	0	40	-1.0	-48.98	320.02	-2.11	-51.09
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C(CCO)C1	REAL250004650810	1	40	-1.0	-49.01	320.08	-2.09	-51.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)C1	REAL250004650811	0	33	-1.0	-39.88	274.43	1.94	-37.94
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)C1	REAL250004650811	1	33	-1.0	-56.56	275.13	1.95	-54.61
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)C1	REAL250004650812	0	30	-1.0	-37.47	260.87	-0.27	-37.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)C1	REAL250004650812	1	30	-1.0	-37.42	260.94	-0.27	-37.69
O=C(CCCC1=N[N-]N=N1)NC1CCOCC12CCCC2	REAL250004650813	0	43	-1.0	-46.41	328.80	3.47	-42.94
O=C(CCCC1=NN=N[N-]1)NC1CCOCC12CCCC2	REAL250004650813	1	43	-1.0	-46.43	328.85	3.49	-42.94
CC1CCCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650814	0	42	-1.0	-47.35	327.95	1.65	-45.70
CC1CCCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650814	1	42	-1.0	-47.38	328.01	1.67	-45.71
CC(C)(C)CC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004650815	0	44	-1.0	-46.66	340.39	1.93	-44.73
CC(C)(C)CC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004650815	1	44	-1.0	-46.68	340.45	1.95	-44.73
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)CO1	REAL250004650816	0	42	-1.0	-46.11	316.01	4.45	-41.66
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)CO1	REAL250004650816	1	42	-1.0	-46.09	316.06	4.47	-41.62
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](F)C[C@H]1C(F)(F)F	REAL250004650817	0	32	-1.0	-48.74	282.08	4.04	-44.70
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](F)C[C@H]1C(F)(F)F	REAL250004650817	1	32	-1.0	-48.72	282.14	4.06	-44.66
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)CCO1	REAL250004650818	0	39	-1.0	-46.63	304.65	4.19	-42.44
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)CCO1	REAL250004650818	1	39	-1.0	-46.63	304.71	4.20	-42.43
CC(C)(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004650819	0	38	-1.0	-47.87	313.64	3.21	-44.66
CC(C)(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004650819	1	38	-1.0	-47.88	313.70	3.22	-44.66
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CN=C2)=C1	REAL250004650820	0	35	-1.0	-51.42	305.32	2.51	-48.91
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CN=C2)=C1	REAL250004650820	1	35	-1.0	-51.40	305.38	2.52	-48.88
COC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650821	0	36	-1.0	-48.74	300.87	1.48	-47.26
COC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650821	1	36	-1.0	-48.73	300.93	1.49	-47.24
COC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004650822	0	36	-1.0	-36.48	311.47	1.28	-35.20
COC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650822	1	36	-1.0	-36.46	311.54	1.28	-35.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=C(F)C(F)=C1	REAL250004650823	0	32	-1.0	-46.73	298.09	3.66	-43.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=C(F)C(F)=C1	REAL250004650823	1	32	-1.0	-46.78	298.15	3.68	-43.10
CCOC(=O)[C@H]1[C@@H](O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650824	0	39	-1.0	-58.12	327.89	1.50	-56.62
CCOC(=O)[C@H]1[C@@H](O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650824	1	39	-1.0	-58.11	327.95	1.52	-56.59
N#CCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650825	0	27	-1.0	-62.00	256.65	4.22	-57.78
N#CCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650825	1	27	-1.0	-61.77	256.72	4.24	-57.53
COCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650827	0	42	-1.0	-48.42	329.58	3.92	-44.50
COCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650827	1	42	-1.0	-48.45	329.64	3.94	-44.51
C#CCOCCONC(=O)CCCC1=N[N-]N=N1	REAL250004650828	0	32	-1.0	-55.57	293.81	2.36	-53.21
C#CCOCCONC(=O)CCCC1=NN=N[N-]1	REAL250004650828	1	32	-1.0	-55.59	293.87	2.37	-53.22
C#CCOCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650829	0	32	-1.0	-41.25	304.40	2.15	-39.10
C#CCOCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650829	1	32	-1.0	-41.20	304.47	2.16	-39.04
CC(C)CC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004650830	0	41	-1.0	-46.28	324.40	0.82	-45.46
CC(C)CC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004650830	1	41	-1.0	-46.30	324.46	0.83	-45.47
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1CCC1	REAL250004650831	0	39	-1.0	-47.38	314.63	6.10	-41.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1CCC1	REAL250004650831	1	39	-1.0	-47.38	314.69	6.12	-41.26
O=C(CCCC1=N[N-]N=N1)NC12CCOC1CCCC2	REAL250004650832	0	40	-1.0	-45.21	305.78	2.80	-42.41
O=C(CCCC1=NN=N[N-]1)NC12CCOC1CCCC2	REAL250004650832	1	40	-1.0	-45.23	305.83	2.81	-42.42
CC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004650833	0	35	-1.0	-46.02	297.16	4.70	-41.32
CC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004650833	1	35	-1.0	-46.00	297.22	4.72	-41.28
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCOC2	REAL250004650834	0	40	-1.0	-46.48	299.10	3.31	-43.17
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCOC2	REAL250004650834	1	40	-1.0	-46.54	299.16	3.32	-43.22
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCC2	REAL250004650835	0	39	-1.0	-45.56	296.13	5.05	-40.51
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCC2	REAL250004650835	1	39	-1.0	-45.55	296.18	5.07	-40.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC12CCC2	REAL250004650836	0	39	-1.0	-34.72	303.84	5.28	-29.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC12CCC2	REAL250004650836	1	39	-1.0	-34.69	303.91	5.28	-29.41
CCC1(CC)COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650837	0	42	-1.0	-45.04	307.48	3.48	-41.56
CCC1(CC)COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650837	1	42	-1.0	-45.10	307.54	3.49	-41.61
O=C(CCCC1=NN=N[N-]1)N1CC(N2C=C(Cl)C=N2)C1	REAL250004650838	0	33	-1.0	-50.29	303.04	3.26	-47.03
O=C(CCCC1=N[N-]N=N1)N1CC(N2C=C(Cl)C=N2)C1	REAL250004650838	1	33	-1.0	-50.28	302.98	3.25	-47.03
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)C12CCC2	REAL250004650839	0	40	-1.0	-58.76	306.71	1.80	-56.96
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)C12CCC2	REAL250004650839	1	40	-1.0	-58.79	306.77	1.82	-56.97
CN1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004650840	0	33	-1.0	-52.65	282.29	0.58	-52.07
CN1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004650840	1	33	-1.0	-52.65	282.34	0.59	-52.06
CN1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004650841	0	33	-1.0	-40.30	292.96	0.36	-39.94
CN1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004650841	1	33	-1.0	-40.26	293.03	0.37	-39.89
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)CCO1	REAL250004650842	0	33	-1.0	-56.78	281.88	0.50	-56.28
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)CCO1	REAL250004650842	1	33	-1.0	-56.78	281.93	0.52	-56.26
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCCCC1	REAL250004650843	0	45	-1.0	-49.79	335.59	6.73	-43.06
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCCCC1	REAL250004650843	1	45	-1.0	-49.83	335.66	6.73	-43.10
CC(C)N1C=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650844	0	35	-1.0	-55.98	296.16	6.03	-49.95
CC(C)N1C=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650844	1	35	-1.0	-55.93	296.10	6.01	-49.92
CC(C)N1C=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650845	0	35	-1.0	-41.00	306.74	5.81	-35.19
CC(C)N1C=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650845	1	35	-1.0	-41.05	306.67	5.80	-35.25
COCC(CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004650846	0	44	-1.0	-48.02	341.80	3.04	-44.98
COCC(CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004650846	1	44	-1.0	-48.06	341.85	3.06	-45.00
O=C(CCCC1=N[N-]N=N1)NCC1CCCSCC1	REAL250004650847	0	39	-1.0	-47.16	312.68	4.17	-42.99
O=C(CCCC1=NN=N[N-]1)NCC1CCCSCC1	REAL250004650847	1	39	-1.0	-47.15	312.73	4.19	-42.96
CS(=O)(=O)C[C@@H]1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650848	0	35	-1.0	-52.91	309.49	0.24	-52.67
CS(=O)(=O)C[C@@H]1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650848	1	35	-1.0	-52.93	309.55	0.25	-52.68
CCC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650849	0	35	-1.0	-49.77	303.31	3.69	-46.08
CCC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650849	1	35	-1.0	-49.82	303.37	3.70	-46.12
COC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004650850	0	39	-1.0	-47.95	326.11	3.61	-44.34
COC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004650850	1	39	-1.0	-47.96	326.16	3.63	-44.33
C#CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650851	0	37	-1.0	-46.73	295.13	5.38	-41.35
C#CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650851	1	37	-1.0	-46.76	295.19	5.39	-41.37
C#CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650852	0	37	-1.0	-36.48	303.00	5.63	-30.85
C#CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650852	1	37	-1.0	-36.43	303.06	5.64	-30.79
CSC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004650853	0	33	-1.0	-46.08	304.33	2.81	-43.27
CSC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004650853	1	33	-1.0	-46.06	304.39	2.83	-43.23
CCCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004650854	0	43	-1.0	-44.66	350.43	4.64	-40.02
CCCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004650854	1	43	-1.0	-44.64	350.49	4.66	-39.98
O=C(CCCC1=N[N-]N=N1)NC1CCCC1C1CC1	REAL250004650855	0	39	-1.0	-46.46	308.55	5.39	-41.07
O=C(CCCC1=NN=N[N-]1)NC1CCCC1C1CC1	REAL250004650855	1	39	-1.0	-46.47	308.62	5.40	-41.07
O=C(NC1CCCC1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650856	0	39	-1.0	-35.19	319.14	5.18	-30.01
O=C(NC1CCCC1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650856	1	39	-1.0	-35.15	319.22	5.18	-29.97
CCCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650857	0	35	-1.0	-49.03	296.72	3.66	-45.37
CCCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650857	1	35	-1.0	-49.03	296.66	3.65	-45.38
CCCN1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650858	0	35	-1.0	-35.70	307.40	3.44	-32.26
CCCN1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650858	1	35	-1.0	-35.72	307.33	3.43	-32.29
O=C(CCCC1=N[N-]N=N1)NCCN1CC2(COC2)C1	REAL250004650859	0	39	-1.0	-49.42	322.26	-1.89	-51.31
O=C(CCCC1=NN=N[N-]1)NCCN1CC2(COC2)C1	REAL250004650859	1	39	-1.0	-49.47	322.31	-1.88	-51.35
COC(=O)C=CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004650860	0	35	-1.0	-48.05	308.51	2.61	-45.44
COC(=O)C=CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004650860	1	35	-1.0	-48.03	308.57	2.63	-45.40
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004650862	0	42	-1.0	-48.80	324.74	7.03	-41.77
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004650862	1	42	-1.0	-48.80	324.79	7.04	-41.76
COC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)OC	REAL250004650863	0	36	-1.0	-52.47	303.29	2.43	-50.04
COC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)OC	REAL250004650863	1	36	-1.0	-52.26	303.56	2.42	-49.84
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004650864	0	33	-1.0	-37.99	289.17	-0.64	-38.63
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004650864	1	33	-1.0	-37.94	289.24	-0.64	-38.58
CN(CC(=O)C(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004650865	0	39	-1.0	-51.71	318.31	4.66	-47.05
CN(CC(=O)C(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004650865	1	39	-1.0	-51.68	318.37	4.67	-47.01
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(=O)OC	REAL250004650866	0	38	-1.0	-47.29	316.12	0.68	-46.61
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(=O)OC	REAL250004650866	1	38	-1.0	-47.29	316.18	0.70	-46.59
COC1(OC)CC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650867	0	43	-1.0	-48.97	351.48	2.23	-46.74
COC1(OC)CC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650867	1	43	-1.0	-48.98	351.53	2.25	-46.73
CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCCC1=N[N-]N=N1	REAL250004650868	0	43	-1.0	-47.36	324.99	4.22	-43.14
CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCCC1=NN=N[N-]1	REAL250004650868	1	43	-1.0	-47.37	325.05	4.23	-43.14
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]1CCCO	REAL250004650869	0	39	-1.0	-49.60	313.56	1.66	-47.94
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]1CCCO	REAL250004650869	1	39	-1.0	-49.63	313.61	1.68	-47.95
CN(CC1(O)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650870	0	36	-1.0	-42.35	298.27	3.85	-38.50
CN(CC1(O)CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650870	1	36	-1.0	-42.16	298.37	3.89	-38.27
CN(CC1(O)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650871	0	33	-1.0	-35.89	283.56	1.75	-34.14
CN(CC1(O)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650871	1	33	-1.0	-35.88	283.62	1.76	-34.12
CC(C)OC[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004650872	0	38	-1.0	-45.74	313.85	2.19	-43.55
CC(C)OC[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004650872	1	38	-1.0	-45.73	313.91	2.21	-43.52
CC(C)OC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650873	0	38	-1.0	-35.94	324.44	1.99	-33.95
CC(C)OC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650873	1	38	-1.0	-35.89	324.51	2.01	-33.88
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004650874	0	45	-1.0	-48.51	337.92	4.81	-43.70
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004650874	1	45	-1.0	-48.58	337.98	4.83	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1(OCCO)CCCC1	REAL250004650875	0	43	-1.0	-47.08	341.79	-0.12	-47.20
O=C(CCCC1=NN=N[N-]1)NCC1(OCCO)CCCC1	REAL250004650875	1	43	-1.0	-47.09	341.85	-0.10	-47.19
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C1)O2	REAL250004650876	0	37	-1.0	-46.48	281.14	3.57	-42.91
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C1)O2	REAL250004650876	1	37	-1.0	-46.48	281.20	3.58	-42.90
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)C1CCO	REAL250004650877	0	37	-1.0	-53.91	294.32	-2.52	-56.43
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C1CCO	REAL250004650877	1	37	-1.0	-53.92	294.38	-2.50	-56.42
CC1CC(C)(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004650878	0	38	-1.0	-52.81	308.10	5.92	-46.89
CC1CC(C)(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004650878	1	38	-1.0	-52.60	308.18	5.92	-46.68
CC1CC(C)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004650879	0	35	-1.0	-35.13	292.76	2.77	-32.36
CC1CC(C)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650879	1	35	-1.0	-35.14	292.82	2.77	-32.37
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(F)(F)CC1	REAL250004650880	0	36	-1.0	-54.72	291.50	1.76	-52.96
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(F)(F)CC1	REAL250004650880	1	36	-1.0	-54.74	291.56	1.78	-52.96
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)C	REAL250004650881	0	40	-1.0	-44.88	328.98	3.65	-41.23
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)C	REAL250004650881	1	40	-1.0	-44.88	329.03	3.67	-41.21
CCN(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004650882	0	42	-1.0	-49.51	340.41	3.58	-45.93
CCN(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004650882	1	42	-1.0	-49.55	340.46	3.59	-45.96
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1CO	REAL250004650883	0	36	-1.0	-50.41	295.64	1.04	-49.37
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1CO	REAL250004650883	1	36	-1.0	-50.39	295.69	1.06	-49.33
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1CO	REAL250004650884	0	36	-1.0	-39.67	303.51	1.10	-38.57
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1CO	REAL250004650884	1	36	-1.0	-39.68	303.58	1.11	-38.57
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2OCCO[C@H]2C1	REAL250004650885	0	38	-1.0	-49.40	301.11	1.98	-47.42
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2OCCO[C@H]2C1	REAL250004650885	1	38	-1.0	-49.37	301.17	2.00	-47.37
COC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1COC	REAL250004650886	0	43	-1.0	-48.66	349.62	2.20	-46.46
COC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1COC	REAL250004650886	1	43	-1.0	-48.67	349.68	2.21	-46.46
COC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004650887	0	33	-1.0	-47.72	281.00	2.79	-44.93
COC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004650887	1	33	-1.0	-47.68	281.06	2.81	-44.87
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650888	0	33	-1.0	-37.79	292.47	2.56	-35.23
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650888	1	33	-1.0	-37.85	292.40	2.55	-35.30
CC1=CNC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004650889	0	35	-1.0	-57.52	298.26	2.94	-54.58
CC1=CNC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004650889	1	35	-1.0	-57.56	298.32	2.96	-54.60
CC1=CNC(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004650890	0	35	-1.0	-43.58	306.22	3.35	-40.23
CC1=CNC(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004650890	1	35	-1.0	-43.55	306.29	3.36	-40.19
C=CCC(C)(CC=C)NC(=O)CCCC1=N[N-]N=N1	REAL250004650891	0	39	-1.0	-46.53	312.84	4.26	-42.27
C=CCC(C)(CC=C)NC(=O)CCCC1=NN=N[N-]1	REAL250004650891	1	39	-1.0	-46.51	312.90	4.28	-42.23
C=CCC(C)(CC=C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650892	0	39	-1.0	-35.34	323.42	4.07	-31.27
C=CCC(C)(CC=C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650892	1	39	-1.0	-35.33	323.49	4.08	-31.25
CC(C)CNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004650893	0	41	-1.0	-46.90	338.08	1.31	-45.59
CC(C)CNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004650893	1	41	-1.0	-46.92	338.13	1.32	-45.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC(F)=CC=C21	REAL250004650894	0	35	-1.0	-47.76	302.96	5.85	-41.91
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC(F)=CC=C21	REAL250004650894	1	35	-1.0	-47.84	303.02	5.86	-41.98
COC(=O)C(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004650896	0	37	-1.0	-48.27	313.45	2.53	-45.74
COC(=O)C(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004650896	1	37	-1.0	-48.29	313.51	2.55	-45.74
CC1(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=NN2)CC1	REAL250004650897	0	36	-1.0	-48.14	302.50	3.33	-44.81
CC1(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=NN2)CC1	REAL250004650897	1	36	-1.0	-48.14	302.56	3.35	-44.79
CC1=CC(C)=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004650898	0	36	-1.0	-49.76	312.42	1.90	-47.86
CC1=CC(C)=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004650898	1	36	-1.0	-49.78	312.48	1.92	-47.86
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CC=CC(F)=C1	REAL250004650899	0	34	-1.0	-47.06	305.09	3.44	-43.62
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CC=CC(F)=C1	REAL250004650899	1	34	-1.0	-47.07	305.15	3.45	-43.62
CC1=CC=CC(C(=O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004650900	0	37	-1.0	-46.54	320.08	4.03	-42.51
CC1=CC=CC(C(=O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004650900	1	37	-1.0	-46.58	320.14	4.05	-42.53
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC=N1	REAL250004650901	0	37	-1.0	-48.88	316.28	3.26	-45.62
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC=N1	REAL250004650901	1	37	-1.0	-48.91	316.33	3.27	-45.64
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1CCC1	REAL250004650902	0	34	-1.0	-45.63	288.88	2.59	-43.04
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1CCC1	REAL250004650902	1	34	-1.0	-45.65	288.93	2.61	-43.04
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004650903	0	34	-1.0	-38.43	299.47	2.38	-36.05
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004650903	1	34	-1.0	-38.39	299.53	2.39	-36.00
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CN=CO2)CC1	REAL250004650904	0	38	-1.0	-51.32	313.07	2.07	-49.25
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CN=CO2)CC1	REAL250004650904	1	38	-1.0	-51.31	313.02	2.05	-49.26
CC1CC(=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650905	0	34	-1.0	-48.81	280.62	3.29	-45.52
CC1CC(=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650905	1	34	-1.0	-48.77	280.68	3.31	-45.46
CC1CC(=O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004650906	0	34	-1.0	-39.13	288.05	3.53	-35.60
CC1CC(=O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650906	1	34	-1.0	-39.12	288.12	3.54	-35.58
O=C(CCCC1=NN=N[N-]1)NCC(C(F)F)N1C=CC=N1	REAL250004650907	0	35	-1.0	-50.33	305.44	2.38	-47.95
O=C(CCCC1=N[N-]N=N1)NCC(C(F)F)N1C=CC=N1	REAL250004650907	1	35	-1.0	-50.28	305.38	2.36	-47.92
O=C(NCC(O)CF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650908	0	32	-1.0	-52.19	282.67	0.99	-51.20
O=C(NCC(O)CF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650908	1	32	-1.0	-52.01	282.73	1.01	-51.00
O=C(NCC(O)CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650909	0	29	-1.0	-38.29	268.81	-2.16	-40.45
O=C(NCC(O)CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650909	1	29	-1.0	-38.25	268.88	-2.15	-40.40
CC(NC(=O)CCCC1=N[N-]N=N1)C1(C)OCCO1	REAL250004650910	0	37	-1.0	-47.86	302.30	0.92	-46.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1(C)OCCO1	REAL250004650910	1	37	-1.0	-47.89	302.36	0.93	-46.96
COCC1(O)CCOCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004650911	0	41	-1.0	-47.40	329.26	-1.99	-49.39
COCC1(O)CCOCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004650911	1	41	-1.0	-47.41	329.32	-1.97	-49.38
CC1(C)C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650912	0	39	-1.0	-58.21	293.64	1.23	-56.98
CC1(C)C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650912	1	39	-1.0	-58.22	293.70	1.25	-56.97
CC(C)OC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004650913	0	41	-1.0	-46.70	323.25	2.43	-44.27
CC(C)OC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004650913	1	41	-1.0	-46.65	323.31	2.44	-44.21
CC1(C)CC(=O)OC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004650914	0	38	-1.0	-50.62	314.58	2.74	-47.88
CC1(C)CC(=O)OC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004650914	1	38	-1.0	-50.62	314.64	2.75	-47.87
O=C(CCO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004650915	0	40	-1.0	-52.82	323.94	-0.04	-52.86
O=C(CCO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004650915	1	40	-1.0	-52.84	324.00	-0.03	-52.87
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650916	0	41	-1.0	-47.57	312.18	4.99	-42.58
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650916	1	41	-1.0	-47.57	312.24	5.00	-42.57
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CC(F)=N1	REAL250004650917	0	36	-1.0	-52.64	315.47	1.46	-51.18
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CC(F)=N1	REAL250004650917	1	36	-1.0	-52.62	315.42	1.44	-51.18
CC(C)CCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650918	0	38	-1.0	-55.59	317.85	6.54	-49.05
CC(C)CCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650918	1	38	-1.0	-55.40	317.93	6.56	-48.84
CC(C)CCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650919	0	35	-1.0	-35.77	303.70	3.44	-32.33
CC(C)CCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650919	1	35	-1.0	-35.78	303.77	3.45	-32.33
CC(CC1(O)CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004650920	0	43	-1.0	-47.56	333.60	0.62	-46.94
CC(CC1(O)CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004650920	1	43	-1.0	-47.54	333.66	0.64	-46.90
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H]1CCCO	REAL250004650921	0	39	-1.0	-49.41	313.84	1.67	-47.74
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1CCCO	REAL250004650921	1	39	-1.0	-49.41	313.90	1.68	-47.73
O=C(CCCC1=N[N-]N=N1)NCCCCCCCO	REAL250004650922	0	41	-1.0	-48.53	338.09	1.01	-47.52
O=C(CCCC1=NN=N[N-]1)NCCCCCCCO	REAL250004650922	1	41	-1.0	-48.52	338.14	1.02	-47.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCOC2=C1	REAL250004650923	0	34	-1.0	-48.54	289.15	3.20	-45.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCOC2=C1	REAL250004650923	1	34	-1.0	-48.51	289.21	3.22	-45.29
O=C(CCCC1=N[N-]N=N1)NCC1CC1C1CCCC1	REAL250004650924	0	42	-1.0	-46.79	329.73	5.02	-41.77
O=C(CCCC1=NN=N[N-]1)NCC1CC1C1CCCC1	REAL250004650924	1	42	-1.0	-46.78	329.78	5.03	-41.75
COC1CN(C(=O)CCCC2=N[N-]N=N2)CC12CC2	REAL250004650925	0	37	-1.0	-46.46	306.39	3.26	-43.20
COC1CN(C(=O)CCCC2=NN=N[N-]2)CC12CC2	REAL250004650925	1	37	-1.0	-46.50	306.45	3.28	-43.22
C[C@H](CF)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650927	0	31	-1.0	-54.93	270.66	4.36	-50.57
C[C@H](CF)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650927	1	31	-1.0	-54.76	270.76	4.38	-50.38
C[C@H](CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650928	0	28	-1.0	-37.47	256.87	1.24	-36.23
C[C@H](CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650928	1	28	-1.0	-37.45	256.94	1.25	-36.20
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004650929	0	39	-1.0	-50.80	324.88	1.57	-49.23
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004650929	1	39	-1.0	-50.81	324.94	1.59	-49.22
O=C(CCCC1=N[N-]N=N1)NCCCC1=CSC=C1	REAL250004650930	0	35	-1.0	-46.85	312.07	3.95	-42.90
O=C(CCCC1=NN=N[N-]1)NCCCC1=CSC=C1	REAL250004650930	1	35	-1.0	-46.90	312.13	3.97	-42.93
CN(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004650931	0	32	-1.0	-50.48	281.69	1.59	-48.89
CN(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004650931	1	32	-1.0	-50.45	281.63	1.58	-48.87
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004650932	0	32	-1.0	-39.59	292.29	1.36	-38.23
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CC1=NN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)N1	REAL250004650940	0	34	-1.0	-61.36	293.18	2.95	-58.41
CC1=NN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)N1	REAL250004650940	1	34	-1.0	-61.35	293.24	2.97	-58.38
CC1=NN=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004650941	0	34	-1.0	-46.94	300.88	3.35	-43.59
CC1=NN=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004650941	1	34	-1.0	-46.90	300.94	3.36	-43.54
C[C@H]1C[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)[C@@H](C)C1	REAL250004650942	0	41	-1.0	-46.32	303.10	5.04	-41.28
C[C@H]1C[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)[C@@H](C)C1	REAL250004650942	1	41	-1.0	-46.28	303.16	5.05	-41.23
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CN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004650943	1	31	-1.0	-48.49	273.88	-0.15	-48.64
CN1N=NC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650944	0	34	-1.0	-51.77	298.19	2.74	-49.03
CN1N=NC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650944	1	34	-1.0	-51.62	298.29	2.76	-48.86
CN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650945	0	31	-1.0	-39.44	284.41	-0.37	-39.81
CN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650945	1	31	-1.0	-39.41	284.48	-0.37	-39.78
CC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN21	REAL250004650946	0	36	-1.0	-49.36	297.16	4.14	-45.22
CC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN21	REAL250004650946	1	36	-1.0	-49.37	297.22	4.16	-45.21
COC(=O)C[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650947	0	38	-1.0	-49.44	313.68	4.20	-45.24
COC(=O)C[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650947	1	38	-1.0	-49.41	313.74	4.21	-45.20
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004650948	0	40	-1.0	-52.90	324.35	3.45	-49.45
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004650948	1	40	-1.0	-52.96	324.41	3.46	-49.50
CC(CC1=NC=CN1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004650949	0	38	-1.0	-50.52	321.36	3.40	-47.12
CC(CC1=NC=CN1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004650949	1	38	-1.0	-50.54	321.42	3.42	-47.12
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCOC2	REAL250004650950	0	42	-1.0	-47.79	315.28	0.85	-46.94
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCOC2	REAL250004650950	1	42	-1.0	-47.80	315.34	0.86	-46.94
CCNC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650951	0	37	-1.0	-50.28	319.48	0.66	-49.62
CCNC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650951	1	37	-1.0	-50.30	319.54	0.67	-49.63
COC(=O)C[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004650952	0	38	-1.0	-49.38	313.60	4.26	-45.12
COC(=O)C[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004650952	1	38	-1.0	-49.40	313.66	4.28	-45.12
CNC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004650953	0	35	-1.0	-50.28	289.99	0.87	-49.41
CNC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004650953	1	35	-1.0	-50.30	290.04	0.89	-49.41
CNC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650954	0	35	-1.0	-41.94	296.87	1.21	-40.73
CNC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650954	1	35	-1.0	-41.91	296.93	1.22	-40.69
CC(C)(O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004650955	0	38	-1.0	-47.29	310.56	0.04	-47.25
CC(C)(O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004650955	1	38	-1.0	-47.33	310.62	0.06	-47.27
CC(C)(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650956	0	38	-1.0	-36.70	321.16	-0.16	-36.86
CC(C)(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650956	1	38	-1.0	-36.66	321.22	-0.15	-36.81
CCC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004650957	0	42	-1.0	-47.10	338.36	7.20	-39.90
CCC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004650957	1	42	-1.0	-47.10	338.42	7.21	-39.89
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1F	REAL250004650958	0	38	-1.0	-45.81	304.70	4.16	-41.65
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1F	REAL250004650958	1	38	-1.0	-45.83	304.76	4.18	-41.65
CC1N(C(=O)CCCC2=N[N-]N=N2)CCC1(C)C	REAL250004650959	0	38	-1.0	-47.50	294.99	4.47	-43.03
CC1N(C(=O)CCCC2=NN=N[N-]2)CCC1(C)C	REAL250004650959	1	38	-1.0	-47.55	295.05	4.48	-43.07
CC1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(C)C	REAL250004650960	0	38	-1.0	-36.20	302.07	4.71	-31.49
CC1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(C)C	REAL250004650960	1	38	-1.0	-36.15	302.13	4.72	-31.43
CC1=NNC2=C1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004650962	0	36	-1.0	-51.73	287.60	3.09	-48.64
CC1=NNC2=C1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004650962	1	36	-1.0	-51.73	287.66	3.10	-48.63
CC(C)(O)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650963	0	39	-1.0	-48.54	313.61	0.90	-47.64
CC(C)(O)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650963	1	39	-1.0	-48.50	313.67	0.91	-47.59
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004650964	0	33	-1.0	-57.76	300.82	0.54	-57.22
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004650964	1	33	-1.0	-57.82	300.87	0.55	-57.27
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O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C(F)(F)C1	REAL250004650965	1	33	-1.0	-53.93	278.73	0.75	-53.18
CN1C[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650966	1	35	-1.0	-50.79	290.20	-3.67	-54.46
CN1C[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650966	1	35	-1.0	-50.76	290.25	-3.66	-54.42
CN1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004650967	0	35	-1.0	-37.34	300.90	-3.87	-41.21
CN1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650967	1	35	-1.0	-37.34	300.96	-3.87	-41.21
CN(C)C(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004650968	0	42	-1.0	-58.32	327.10	3.08	-55.24
CN(C)C(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004650968	1	42	-1.0	-58.32	327.16	3.09	-55.23
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1CC1	REAL250004650969	0	39	-1.0	-47.30	311.49	5.32	-41.98
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1CC1	REAL250004650969	1	39	-1.0	-47.35	311.55	5.34	-42.01
O=C(N[C@@H]1CCC[C@@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650970	0	39	-1.0	-35.26	321.78	4.92	-30.34
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CC(C)N(CCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004650971	0	38	-1.0	-49.28	303.08	1.29	-47.99
CC(C)N(CCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004650971	1	38	-1.0	-49.32	303.14	1.31	-48.01
CC(C)N(CCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650972	0	38	-1.0	-38.30	308.88	1.97	-36.33
CC(C)N(CCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650972	1	38	-1.0	-38.28	308.95	1.97	-36.31
CN1CCN(C(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004650973	0	41	-1.0	-46.41	332.08	-0.42	-46.83
CN1CCN(C(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004650973	1	41	-1.0	-46.41	332.14	-0.41	-46.82
O=C(CCCC1=N[N-]N=N1)N1CCOC[C@H]1CO	REAL250004650974	0	34	-1.0	-46.12	273.20	-1.43	-47.55
O=C(CCCC1=NN=N[N-]1)N1CCOC[C@H]1CO	REAL250004650974	1	34	-1.0	-46.12	273.25	-1.42	-47.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC[C@H]1CO	REAL250004650975	0	34	-1.0	-36.09	278.07	0.21	-35.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC[C@H]1CO	REAL250004650975	1	34	-1.0	-36.08	278.14	0.22	-35.86
C[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)[C@@H]1CO	REAL250004650976	0	39	-1.0	-46.06	293.23	3.12	-42.94
C[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)[C@@H]1CO	REAL250004650976	1	39	-1.0	-46.09	293.29	3.13	-42.96
O=C(CCCC1=N[N-]N=N1)NCCN1CCOC1=O	REAL250004650977	0	34	-1.0	-58.10	295.45	0.63	-57.47
O=C(CCCC1=NN=N[N-]1)NCCN1CCOC1=O	REAL250004650977	1	34	-1.0	-58.12	295.51	0.65	-57.47
CN1C=CC(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004650978	0	41	-1.0	-54.73	337.04	3.31	-51.42
CN1C=CC(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004650978	1	41	-1.0	-54.74	336.98	3.29	-51.45
CN(C)C(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650979	0	37	-1.0	-50.86	317.12	2.21	-48.65
CN(C)C(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650979	1	37	-1.0	-50.82	317.18	2.23	-48.59
C#CCOC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004650980	0	35	-1.0	-55.46	308.59	4.98	-50.48
C#CCOC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004650980	1	35	-1.0	-55.20	309.07	4.93	-50.27
C#CCOC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004650981	0	32	-1.0	-38.23	296.07	2.47	-35.76
C#CCOC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650981	1	32	-1.0	-38.22	296.13	2.48	-35.74
CC1=NC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004650982	0	34	-1.0	-50.48	299.03	1.17	-49.31
CC1=NC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004650982	1	34	-1.0	-50.50	299.09	1.18	-49.32
O=C(NCC#CC1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650983	0	34	-1.0	-51.14	303.09	6.39	-44.75
O=C(NCC#CC1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650983	1	34	-1.0	-50.93	303.18	6.42	-44.51
O=C(NCC#CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650984	0	31	-1.0	-35.64	289.30	3.29	-32.35
O=C(NCC#CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650984	1	31	-1.0	-35.67	289.37	3.30	-32.37
O=C(CCCC1=N[N-]N=N1)N1CC=CCC12CCCCC2	REAL250004650985	0	43	-1.0	-45.20	314.69	6.46	-38.74
O=C(CCCC1=NN=N[N-]1)N1CC=CCC12CCCCC2	REAL250004650985	1	43	-1.0	-45.22	314.75	6.47	-38.75
O=C(CCCC1=N[N-]N=N1)NC1CC12CCC1=CC=CC=C12	REAL250004650986	0	40	-1.0	-46.63	330.64	6.15	-40.48
O=C(CCCC1=NN=N[N-]1)NC1CC12CCC1=CC=CC=C12	REAL250004650986	1	40	-1.0	-46.58	330.70	6.17	-40.41
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1N1C=CC=N1	REAL250004650987	0	39	-1.0	-49.00	317.19	3.79	-45.21
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1N1C=CC=N1	REAL250004650987	1	39	-1.0	-48.95	317.13	3.77	-45.18
CCC(C)(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004650988	0	40	-1.0	-52.88	308.26	6.09	-46.79
CCC(C)(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004650988	1	40	-1.0	-52.60	308.32	6.11	-46.49
CCC(C)(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004650989	0	37	-1.0	-35.24	294.48	2.96	-32.28
CCC(C)(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004650989	1	37	-1.0	-35.27	294.55	2.97	-32.30
CCN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004650990	0	37	-1.0	-58.20	318.78	1.57	-56.63
CCN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004650990	1	37	-1.0	-58.22	318.84	1.58	-56.64
CNC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650991	0	34	-1.0	-50.97	297.99	-0.19	-51.16
CNC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650991	1	34	-1.0	-50.95	298.05	-0.18	-51.13
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NC=CC(=O)N2)C1	REAL250004650992	0	35	-1.0	-54.11	306.21	1.84	-52.27
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NC=CC(=O)N2)C1	REAL250004650992	1	35	-1.0	-54.11	306.27	1.85	-52.26
COC(=O)[C@]12CC[C@H]1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004650993	0	39	-1.0	-50.39	314.45	5.46	-44.93
COC(=O)[C@]12CC[C@H]1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004650993	1	39	-1.0	-50.40	314.51	5.48	-44.92
O=C(CCCC1=N[N-]N=N1)N1C[C@@]2(CO)CC[C@@]2(CO)C1	REAL250004650994	0	41	-1.0	-51.89	329.07	-1.42	-53.31
O=C(CCCC1=NN=N[N-]1)N1C[C@@]2(CO)CC[C@@]2(CO)C1	REAL250004650994	1	41	-1.0	-51.88	329.12	-1.40	-53.28
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](C2CC2)[C@H](O)C1	REAL250004650995	0	37	-1.0	-47.62	305.10	1.60	-46.02
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](C2CC2)[C@H](O)C1	REAL250004650995	1	37	-1.0	-47.61	305.16	1.61	-46.00
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1CCO	REAL250004650996	0	42	-1.0	-49.24	326.17	1.68	-47.56
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1CCO	REAL250004650996	1	42	-1.0	-49.28	326.23	1.70	-47.58
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2(CC2)C1	REAL250004650997	0	42	-1.0	-46.01	332.68	5.19	-40.82
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2(CC2)C1	REAL250004650997	1	42	-1.0	-46.06	332.74	5.20	-40.86
CC1(CNC(=O)CCCC2=N[N-]N=N2)C=CCCC1	REAL250004650998	0	39	-1.0	-45.98	307.02	4.37	-41.61
CC1(CNC(=O)CCCC2=NN=N[N-]2)C=CCCC1	REAL250004650998	1	39	-1.0	-45.98	307.08	4.38	-41.60
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CCCC1	REAL250004650999	0	39	-1.0	-35.04	317.61	4.15	-30.89
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CCCC1	REAL250004650999	1	39	-1.0	-35.04	317.68	4.16	-30.88
COCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651000	0	40	-1.0	-47.81	323.69	1.84	-45.97
COCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651000	1	40	-1.0	-47.82	323.74	1.85	-45.97
CCN1N=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651001	0	38	-1.0	-47.61	320.00	2.70	-44.91
CCN1N=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651001	1	38	-1.0	-47.66	320.06	2.72	-44.94
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCC2	REAL250004651002	0	39	-1.0	-48.35	301.00	5.34	-43.01
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCC2	REAL250004651002	1	39	-1.0	-48.36	301.06	5.35	-43.01
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC12CCCC2	REAL250004651003	0	39	-1.0	-37.27	307.75	5.54	-31.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC12CCCC2	REAL250004651003	1	39	-1.0	-37.25	307.82	5.54	-31.71
CN(CC(F)(F)CO)C(=O)CCCC1=N[N-]N=N1	REAL250004651004	0	32	-1.0	-53.22	277.67	0.19	-53.03
CN(CC(F)(F)CO)C(=O)CCCC1=NN=N[N-]1	REAL250004651004	1	32	-1.0	-53.22	277.73	0.20	-53.02
CN(CC(F)(F)CO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651005	0	32	-1.0	-41.37	285.78	0.59	-40.78
CN(CC(F)(F)CO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651005	1	32	-1.0	-41.36	285.85	0.60	-40.76
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCCOC2	REAL250004651006	0	43	-1.0	-45.31	312.73	3.75	-41.56
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCCOC2	REAL250004651006	1	43	-1.0	-45.34	312.79	3.76	-41.58
CNS(=O)(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651007	0	36	-1.0	-55.54	315.36	-1.21	-56.75
CNS(=O)(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651007	1	36	-1.0	-55.55	315.42	-1.20	-56.75
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004651008	0	38	-1.0	-48.36	321.99	4.92	-43.44
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004651008	1	38	-1.0	-48.39	322.05	4.94	-43.45
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(O)=CC=C2C1	REAL250004651009	0	37	-1.0	-48.64	306.49	2.90	-45.74
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(O)=CC=C2C1	REAL250004651009	1	37	-1.0	-48.66	306.55	2.92	-45.74
CCN1C=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004651010	0	39	-1.0	-51.58	334.00	-0.29	-51.87
CCN1C=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004651010	1	39	-1.0	-51.57	333.95	-0.30	-51.87
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004651011	0	40	-1.0	-52.94	324.35	3.45	-49.49
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004651011	1	40	-1.0	-52.91	324.41	3.46	-49.45
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004651012	0	39	-1.0	-47.32	304.67	1.95	-45.37
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004651012	1	39	-1.0	-47.31	304.72	1.97	-45.34
CC(C)CC1(CN(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651013	0	44	-1.0	-47.01	336.93	6.72	-40.29
CC(C)CC1(CN(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651013	1	44	-1.0	-46.99	336.99	6.73	-40.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC=CC(=O)C2=C1	REAL250004651014	0	34	-1.0	-65.19	300.22	3.49	-61.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC=CC(=O)C2=C1	REAL250004651014	1	34	-1.0	-65.17	300.28	3.50	-61.67
CC1=NN2C=C(NC(=O)CCCC3=N[N-]N=N3)C=NC2=C1	REAL250004651015	0	34	-1.0	-51.74	300.03	2.82	-48.92
CC1=NN2C=C(NC(=O)CCCC3=NN=N[N-]3)C=NC2=C1	REAL250004651015	1	34	-1.0	-51.72	300.09	2.83	-48.89
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1O	REAL250004651016	0	33	-1.0	-46.86	295.44	0.72	-46.14
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1O	REAL250004651016	1	33	-1.0	-46.82	295.50	0.74	-46.08
O=C(CCCC1=N[N-]N=N1)NC1CCC1N1CCOCC1	REAL250004651017	0	42	-1.0	-46.24	333.54	1.33	-44.91
O=C(CCCC1=NN=N[N-]1)NC1CCC1N1CCOCC1	REAL250004651017	1	42	-1.0	-46.24	333.60	1.34	-44.90
CC1CC2=CC=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004651018	0	42	-1.0	-48.70	324.44	7.09	-41.61
CC1CC2=CC=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004651018	1	42	-1.0	-48.72	324.50	7.11	-41.61
CC1(O)CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004651019	0	36	-1.0	-50.41	289.74	0.26	-50.15
CC1(O)CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004651019	1	36	-1.0	-50.46	289.80	0.27	-50.19
CC1(O)CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651020	0	36	-1.0	-37.51	300.33	0.05	-37.46
CC1(O)CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651020	1	36	-1.0	-37.47	300.40	0.05	-37.42
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@@H]1CO	REAL250004651021	0	34	-1.0	-48.57	281.25	-2.30	-50.87
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@@H]1CO	REAL250004651021	1	34	-1.0	-48.58	281.31	-2.29	-50.87
O=C(N[C@@H]1COC[C@@H]1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651022	0	34	-1.0	-35.77	291.83	-2.52	-38.29
O=C(N[C@@H]1COC[C@@H]1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651022	1	34	-1.0	-35.76	291.90	-2.51	-38.27
CN1N=C(C2CC2)N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651023	0	38	-1.0	-48.46	328.53	3.13	-45.33
CN1N=C(C2CC2)N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651023	1	38	-1.0	-48.50	328.58	3.14	-45.36
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004651024	0	39	-1.0	-47.23	304.08	1.99	-45.24
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004651024	1	39	-1.0	-47.25	304.13	2.00	-45.25
CCC(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004651025	0	37	-1.0	-59.40	313.94	-0.00	-59.40
CCC(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004651025	1	37	-1.0	-59.43	314.00	0.02	-59.41
CC(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651026	0	39	-1.0	-48.43	310.13	1.48	-46.95
CC(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651026	1	39	-1.0	-48.44	310.19	1.50	-46.94
CN(O)C(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651027	0	33	-1.0	-54.03	292.46	0.43	-53.60
CN(O)C(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651027	1	33	-1.0	-53.81	292.52	0.45	-53.36
CN(O)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651028	0	30	-1.0	-41.15	278.30	-2.67	-43.82
CN(O)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651028	1	30	-1.0	-41.07	278.37	-2.66	-43.73
O=C(CCCC1=N[N-]N=N1)NCCC1=NN=CS1	REAL250004651029	0	30	-1.0	-53.33	279.81	0.31	-53.02
O=C(CCCC1=NN=N[N-]1)NCCC1=NN=CS1	REAL250004651029	1	30	-1.0	-53.34	279.87	0.33	-53.01
COC(=O)C(C)=CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651030	0	35	-1.0	-47.73	304.40	2.44	-45.29
COC(=O)C(C)=CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651030	1	35	-1.0	-47.75	304.46	2.45	-45.30
O=C(CCCC1=N[N-]N=N1)NN1CCC(O)CC1	REAL250004651031	0	35	-1.0	-50.80	288.91	-0.94	-51.74
O=C(CCCC1=NN=N[N-]1)NN1CCC(O)CC1	REAL250004651031	1	35	-1.0	-50.82	288.97	-0.92	-51.74
O=C(NN1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651032	0	35	-1.0	-37.82	299.50	-1.17	-38.99
O=C(NN1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651032	1	35	-1.0	-37.80	299.57	-1.15	-38.95
C[C@@]1(NC(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL250004651033	0	39	-1.0	-50.40	322.52	5.17	-45.23
C[C@@]1(NC(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL250004651033	1	39	-1.0	-50.36	322.58	5.19	-45.17
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=C(F)C=C1F	REAL250004651034	0	34	-1.0	-48.77	307.33	2.50	-46.27
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=C(F)C=C1F	REAL250004651034	1	34	-1.0	-48.75	307.38	2.52	-46.23
C=CCCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651035	0	38	-1.0	-38.66	315.27	7.33	-31.33
C=CCCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651035	1	38	-1.0	-38.55	315.37	7.35	-31.20
C=CCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651036	0	35	-1.0	-35.82	300.76	5.09	-30.73
C=CCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651036	1	35	-1.0	-35.81	300.84	5.12	-30.69
COC(=O)C12COC(CN1C(=O)CCCC1=N[N-]N=N1)C2	REAL250004651037	0	37	-1.0	-51.43	307.73	3.12	-48.31
COC(=O)C12COC(CN1C(=O)CCCC1=NN=N[N-]1)C2	REAL250004651037	1	37	-1.0	-51.48	307.79	3.14	-48.34
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCO2)C1	REAL250004651038	0	40	-1.0	-50.53	311.70	3.77	-46.76
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCO2)C1	REAL250004651038	1	40	-1.0	-50.53	311.75	3.79	-46.74
O=C(CCCC1=N[N-]N=N1)NCCN1CCOCC1=O	REAL250004651039	0	37	-1.0	-53.42	311.95	-0.23	-53.65
O=C(CCCC1=NN=N[N-]1)NCCN1CCOCC1=O	REAL250004651039	1	37	-1.0	-53.39	312.01	-0.21	-53.60
C#CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651040	0	33	-1.0	-63.54	310.05	-0.58	-64.12
C#CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651040	1	33	-1.0	-63.51	310.11	-0.57	-64.08
CC(NC(=O)CCCC1=N[N-]N=N1)C1CSC1	REAL250004651041	0	33	-1.0	-47.64	286.43	2.90	-44.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1CSC1	REAL250004651041	1	33	-1.0	-47.66	286.48	2.91	-44.75
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CSC1	REAL250004651042	0	33	-1.0	-36.63	297.85	2.78	-33.85
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CSC1	REAL250004651042	1	33	-1.0	-36.63	297.92	2.81	-33.82
CC(NC(=O)CCCC1=N[N-]N=N1)C1CSC1	REAL250004651043	0	33	-1.0	-47.64	286.43	2.90	-44.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1CSC1	REAL250004651043	1	33	-1.0	-47.66	286.48	2.91	-44.75
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CSC1	REAL250004651044	0	33	-1.0	-36.63	297.85	2.78	-33.85
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CSC1	REAL250004651044	1	33	-1.0	-36.63	297.92	2.81	-33.82
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CNC(=O)C2	REAL250004651045	0	37	-1.0	-55.13	308.12	0.01	-55.12
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CNC(=O)C2	REAL250004651045	1	37	-1.0	-55.17	308.17	0.03	-55.14
CN(C)C(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651046	0	36	-1.0	-57.24	301.23	2.08	-55.16
CN(C)C(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651046	1	36	-1.0	-57.21	301.28	2.09	-55.12
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2OC(=O)O[C@H]2C1	REAL250004651047	0	31	-1.0	-61.63	270.42	2.63	-59.00
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2OC(=O)O[C@H]2C1	REAL250004651047	1	31	-1.0	-61.68	270.48	2.64	-59.04
O=C(NCC1CC(F)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651048	0	35	-1.0	-52.13	298.77	5.51	-46.62
O=C(NCC1CC(F)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651048	1	35	-1.0	-51.95	298.84	5.51	-46.44
O=C(NCC1CC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651049	0	32	-1.0	-36.34	284.61	2.42	-33.92
O=C(NCC1CC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651049	1	32	-1.0	-36.29	284.68	2.42	-33.87
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(C2CC2)O1	REAL250004651050	0	43	-1.0	-46.50	346.80	3.95	-42.55
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(C2CC2)O1	REAL250004651050	1	43	-1.0	-46.52	346.86	3.97	-42.55
CCC1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651051	0	41	-1.0	-48.01	334.74	5.37	-42.64
CCC1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651051	1	41	-1.0	-48.03	334.80	5.38	-42.65
COC(=O)C1CCC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651052	0	41	-1.0	-53.94	326.83	5.78	-48.16
COC(=O)C1CCC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651052	1	41	-1.0	-53.96	326.89	5.79	-48.17
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2COC[C@H]12	REAL250004651053	0	34	-1.0	-47.29	277.91	1.68	-45.61
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2COC[C@H]12	REAL250004651053	1	34	-1.0	-47.27	277.97	1.69	-45.58
O=C(N[C@@H]1C[C@@H]2COC[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651054	0	34	-1.0	-37.76	282.98	1.89	-35.87
O=C(N[C@@H]1C[C@@H]2COC[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651054	1	34	-1.0	-37.74	283.04	1.90	-35.84
O=C(CCCC1=N[N-]N=N1)NCC(CO)C(F)(F)F	REAL250004651055	0	32	-1.0	-47.53	283.24	-0.66	-48.19
O=C(CCCC1=NN=N[N-]1)NCC(CO)C(F)(F)F	REAL250004651055	1	32	-1.0	-47.52	283.30	-0.64	-48.16
O=C(CCCC1=N[N-]N=N1)NC1C2CCOCC21	REAL250004651056	0	34	-1.0	-46.25	275.47	2.30	-43.95
O=C(CCCC1=NN=N[N-]1)NC1C2CCOCC21	REAL250004651056	1	34	-1.0	-46.26	275.52	2.32	-43.94
O=C(NC1C2CCOCC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651057	0	34	-1.0	-37.13	286.06	2.10	-35.03
O=C(NC1C2CCOCC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651057	1	34	-1.0	-37.08	286.13	2.11	-34.97
COC1(OC)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651058	0	40	-1.0	-47.59	329.21	1.43	-46.16
COC1(OC)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651058	1	40	-1.0	-47.58	329.27	1.45	-46.13
COC(=O)CC(C)N(OC)C(=O)CCCC1=N[N-]N=N1	REAL250004651059	0	38	-1.0	-52.14	317.65	3.73	-48.41
COC(=O)CC(C)N(OC)C(=O)CCCC1=NN=N[N-]1	REAL250004651059	1	38	-1.0	-52.17	317.71	3.74	-48.43
O=C(CCCC1=N[N-]N=N1)N1CCCC2(COC2)C1	REAL250004651061	0	37	-1.0	-50.69	294.37	2.58	-48.11
O=C(CCCC1=NN=N[N-]1)N1CCCC2(COC2)C1	REAL250004651061	1	37	-1.0	-50.70	294.43	2.60	-48.10
O=C(NC1=CC=C(O)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651062	0	33	-1.0	-54.44	289.18	3.35	-51.09
O=C(NC1=CC=C(O)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651062	1	33	-1.0	-54.22	289.20	3.38	-50.84
O=C(NC1=CC=C(O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651063	0	30	-1.0	-37.00	274.62	0.28	-36.72
O=C(NC1=CC=C(O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651063	1	30	-1.0	-36.95	274.69	0.29	-36.66
CN1C=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)N=N1	REAL250004651064	0	38	-1.0	-58.03	317.58	3.70	-54.33
CN1C=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)N=N1	REAL250004651064	1	38	-1.0	-58.08	317.64	3.71	-54.37
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004651065	0	35	-1.0	-47.12	301.02	5.99	-41.13
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004651065	1	35	-1.0	-47.04	301.07	6.00	-41.04
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651066	0	41	-1.0	-47.66	337.70	3.84	-43.82
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651066	1	41	-1.0	-47.65	337.76	3.85	-43.80
O=C(CCCC1=N[N-]N=N1)NCC1(CC(F)F)CCC1	REAL250004651067	0	38	-1.0	-47.20	313.58	3.89	-43.31
O=C(CCCC1=NN=N[N-]1)NCC1(CC(F)F)CCC1	REAL250004651067	1	38	-1.0	-47.25	313.64	3.91	-43.34
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1F	REAL250004651068	0	33	-1.0	-46.82	282.16	1.92	-44.90
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1F	REAL250004651068	1	33	-1.0	-46.84	282.22	1.94	-44.90
CO[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1F	REAL250004651069	0	33	-1.0	-35.67	289.93	2.10	-33.57
CO[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1F	REAL250004651069	1	33	-1.0	-35.67	290.00	2.10	-33.57
CC(C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651070	0	40	-1.0	-45.40	304.41	4.57	-40.83
CC(C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651070	1	40	-1.0	-45.44	304.47	4.58	-40.86
CC(C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651071	0	40	-1.0	-35.13	315.00	4.35	-30.78
CC(C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651071	1	40	-1.0	-35.08	315.07	4.36	-30.72
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)CO	REAL250004651072	0	38	-1.0	-47.13	299.64	0.06	-47.07
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)CO	REAL250004651072	1	38	-1.0	-47.13	299.70	0.08	-47.05
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)CO	REAL250004651073	0	38	-1.0	-36.66	310.24	-0.14	-36.80
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)CO	REAL250004651073	1	38	-1.0	-36.60	310.31	-0.12	-36.72
O=C(CCCC1=N[N-]N=N1)NCC1=CN=CC2=C1CCC2	REAL250004651074	0	38	-1.0	-46.93	318.98	3.56	-43.37
O=C(CCCC1=NN=N[N-]1)NCC1=CN=CC2=C1CCC2	REAL250004651074	1	38	-1.0	-46.92	319.04	3.58	-43.34
COC(=O)CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651075	0	37	-1.0	-48.25	310.91	2.64	-45.61
COC(=O)CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651075	1	37	-1.0	-48.22	310.97	2.66	-45.56
CC(C)(C#CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004651076	0	40	-1.0	-45.43	340.51	6.22	-39.21
CC(C)(C#CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004651076	1	40	-1.0	-45.47	340.57	6.23	-39.24
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004651077	0	39	-1.0	-48.61	323.08	1.45	-47.16
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004651077	1	39	-1.0	-48.61	323.14	1.46	-47.15
CCC1(F)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651078	0	35	-1.0	-41.79	294.60	5.94	-35.85
CCC1(F)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651078	1	35	-1.0	-42.55	295.23	5.97	-36.58
CCC1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651079	0	32	-1.0	-38.92	282.86	3.41	-35.51
CCC1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651079	1	32	-1.0	-38.97	282.93	3.42	-35.55
C#CC1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651080	0	31	-1.0	-60.19	273.35	5.69	-54.50
C#CC1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651080	1	31	-1.0	-59.96	273.11	5.71	-54.25
C#CC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651081	0	28	-1.0	-39.54	260.97	3.16	-36.38
C#CC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651081	1	28	-1.0	-39.48	261.04	3.16	-36.32
O=C(NC1=NNC(C2CC2)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651083	0	32	-1.0	-40.56	292.32	4.19	-36.37
O=C(NC1=NNC(C2CC2)=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651083	1	32	-1.0	-40.50	292.38	4.21	-36.29
O=C(CCCC1=N[N-]N=N1)N1CCC12CCCOC2	REAL250004651084	0	37	-1.0	-52.55	295.87	3.86	-48.69
O=C(CCCC1=NN=N[N-]1)N1CCC12CCCOC2	REAL250004651084	1	37	-1.0	-52.59	295.93	3.87	-48.72
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CF)=C1	REAL250004651085	0	32	-1.0	-48.29	281.27	4.17	-44.12
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CF)=C1	REAL250004651085	1	32	-1.0	-48.30	281.33	4.18	-44.12
O=C(NC1=CC=CC(CF)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651086	0	32	-1.0	-36.87	291.92	3.97	-32.90
O=C(NC1=CC=CC(CF)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651086	1	32	-1.0	-36.87	291.86	3.95	-32.92
CC1=CC=CC=C1C(CF)NC(=O)CCCC1=N[N-]N=N1	REAL250004651087	0	38	-1.0	-49.60	317.22	5.00	-44.60
CC1=CC=CC=C1C(CF)NC(=O)CCCC1=NN=N[N-]1	REAL250004651087	1	38	-1.0	-49.59	317.28	5.02	-44.57
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C(O)=C1	REAL250004651088	0	31	-1.0	-50.77	274.79	-1.58	-52.35
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C(O)=C1	REAL250004651088	1	31	-1.0	-50.76	274.85	-1.56	-52.32
O=C(NC1=CC=C(O)C(O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651089	0	31	-1.0	-39.96	285.37	-1.79	-41.75
O=C(NC1=CC=C(O)C(O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651089	1	31	-1.0	-39.94	285.43	-1.78	-41.72
CN1CCOCC1(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651091	0	42	-1.0	-49.30	321.08	-3.22	-52.52
CN1CCOCC1(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651091	1	42	-1.0	-49.35	321.14	-3.21	-52.56
CC1=NN=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004651092	0	37	-1.0	-49.02	307.48	1.96	-47.06
CC1=NN=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004651092	1	37	-1.0	-48.99	307.54	1.98	-47.01
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)N1	REAL250004651093	0	38	-1.0	-58.85	317.82	3.65	-55.20
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)N1	REAL250004651093	1	38	-1.0	-58.84	317.88	3.67	-55.17
CC1=CN=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN12	REAL250004651094	0	36	-1.0	-48.22	296.57	4.11	-44.11
CC1=CN=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN12	REAL250004651094	1	36	-1.0	-48.21	296.63	4.12	-44.09
CC1=NN=C([C@@H](CO)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004651095	0	35	-1.0	-50.91	305.37	-1.81	-52.72
CC1=NN=C([C@@H](CO)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004651095	1	35	-1.0	-50.96	305.42	-1.80	-52.76
O=C(CCCC1=N[N-]N=N1)N1CCOC[C@H]1C(F)(F)F	REAL250004651096	0	33	-1.0	-49.67	276.48	2.17	-47.50
O=C(CCCC1=NN=N[N-]1)N1CCOC[C@H]1C(F)(F)F	REAL250004651096	1	33	-1.0	-49.69	276.54	2.19	-47.50
O=C(CCCC1=N[N-]N=N1)N1CCOC[C@@H]1C(F)(F)F	REAL250004651097	0	33	-1.0	-49.70	276.33	2.16	-47.54
O=C(CCCC1=NN=N[N-]1)N1CCOC[C@@H]1C(F)(F)F	REAL250004651097	1	33	-1.0	-49.66	276.39	2.18	-47.48
CC(C)(C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651098	0	47	-1.0	-46.99	361.12	6.65	-40.34
CC(C)(C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651098	1	47	-1.0	-46.99	361.18	6.67	-40.32
O=C(CCCC1=N[N-]N=N1)N1CCC(C(O)CO)CC1	REAL250004651099	0	40	-1.0	-52.66	316.57	-1.50	-54.16
O=C(CCCC1=NN=N[N-]1)N1CCC(C(O)CO)CC1	REAL250004651099	1	40	-1.0	-52.69	316.63	-1.49	-54.18
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(CC2)CO1	REAL250004651100	0	34	-1.0	-39.98	288.60	5.92	-34.06
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(CC2)CO1	REAL250004651100	1	34	-1.0	-39.87	288.69	5.92	-33.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2)CO1	REAL250004651101	0	31	-1.0	-38.49	275.93	3.08	-35.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2)CO1	REAL250004651101	1	31	-1.0	-38.45	276.00	3.09	-35.36
O=C(CCCC1=N[N-]N=N1)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	REAL250004651102	0	40	-1.0	-46.49	308.29	2.61	-43.88
O=C(CCCC1=NN=N[N-]1)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	REAL250004651102	1	40	-1.0	-46.50	308.35	2.63	-43.87
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)CC1CO	REAL250004651103	0	40	-1.0	-49.52	316.26	3.63	-45.89
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)CC1CO	REAL250004651103	1	40	-1.0	-49.57	316.32	3.65	-45.92
O=C(CCCC1=N[N-]N=N1)N1C2CCC(C2)C1CO	REAL250004651104	0	37	-1.0	-51.53	292.02	3.02	-48.51
O=C(CCCC1=NN=N[N-]1)N1C2CCC(C2)C1CO	REAL250004651104	1	37	-1.0	-51.56	292.07	3.04	-48.52
CC1(C)C(CO)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651105	0	39	-1.0	-47.68	304.68	1.28	-46.40
CC1(C)C(CO)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651105	1	39	-1.0	-47.64	304.74	1.30	-46.34
CCC1CC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651106	0	42	-1.0	-46.20	326.73	5.95	-40.25
CCC1CC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651106	1	42	-1.0	-46.21	326.79	5.96	-40.25
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCOC2)O1	REAL250004651107	0	41	-1.0	-49.17	331.31	0.88	-48.29
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCOC2)O1	REAL250004651107	1	41	-1.0	-49.16	331.37	0.90	-48.26
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CN=N1	REAL250004651108	0	35	-1.0	-54.30	304.12	0.48	-53.82
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CN=N1	REAL250004651108	1	35	-1.0	-54.31	304.07	0.46	-53.85
CC1=NOC(C(CO)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651109	0	34	-1.0	-46.96	301.28	-3.39	-50.35
CC1=NOC(C(CO)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651109	1	34	-1.0	-46.94	301.34	-3.37	-50.31
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004651111	0	32	-1.0	-45.62	290.95	3.22	-42.40
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004651111	1	32	-1.0	-45.64	291.00	3.23	-42.41
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C2=CC=CC=C12	REAL250004651112	0	36	-1.0	-50.37	305.50	2.95	-47.42
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C2=CC=CC=C12	REAL250004651112	1	36	-1.0	-50.37	305.56	2.97	-47.40
CC1(CNC(=O)CCCC2=N[N-]N=N2)COCCO1	REAL250004651113	0	37	-1.0	-46.91	298.36	0.41	-46.50
CC1(CNC(=O)CCCC2=NN=N[N-]2)COCCO1	REAL250004651113	1	37	-1.0	-46.92	298.42	0.42	-46.50
O=C(CCCC1=N[N-]N=N1)NC1=NC(N2CCCC2)=NN1	REAL250004651114	0	37	-1.0	-47.53	307.74	4.53	-43.00
O=C(CCCC1=NN=N[N-]1)NC1=NC(N2CCCC2)=NN1	REAL250004651114	1	37	-1.0	-47.53	307.80	4.54	-42.99
C[C@@]1(C(N)=O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651115	0	36	-1.0	-54.91	294.46	0.68	-54.23
C[C@@]1(C(N)=O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651115	1	36	-1.0	-54.89	294.52	0.69	-54.20
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NN=N1	REAL250004651116	0	33	-1.0	-54.40	291.66	1.42	-52.98
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NN=N1	REAL250004651116	1	33	-1.0	-54.37	291.61	1.41	-52.96
O=C(CCCC1=N[N-]N=N1)N1CCCC(C(F)F)C1	REAL250004651117	0	35	-1.0	-46.32	288.29	4.39	-41.93
O=C(CCCC1=NN=N[N-]1)N1CCCC(C(F)F)C1	REAL250004651117	1	35	-1.0	-46.36	288.35	4.41	-41.95
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC(=O)N1	REAL250004651118	0	33	-1.0	-52.88	281.64	-0.82	-53.70
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC(=O)N1	REAL250004651118	1	33	-1.0	-52.94	281.70	-0.81	-53.75
O=C(NC[C@H]1CCC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651119	0	33	-1.0	-42.80	292.08	-0.99	-43.79
O=C(NC[C@H]1CCC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651119	1	33	-1.0	-42.76	292.14	-0.98	-43.74
CN(C)C(=O)C1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651120	0	40	-1.0	-55.72	317.80	2.42	-53.30
CN(C)C(=O)C1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651120	1	40	-1.0	-55.74	317.86	2.43	-53.31
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)C1	REAL250004651121	0	35	-1.0	-47.18	290.73	3.24	-43.94
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)C1	REAL250004651121	1	35	-1.0	-47.16	290.79	3.26	-43.90
O=C(NCC1CCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651122	0	35	-1.0	-36.61	301.71	3.03	-33.58
O=C(NCC1CCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651122	1	35	-1.0	-36.56	301.77	3.03	-33.53
COC(=O)C1(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651123	0	35	-1.0	-50.88	300.54	3.84	-47.04
COC(=O)C1(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651123	1	35	-1.0	-50.87	300.60	3.86	-47.01
O=C(CCCC1=N[N-]N=N1)NCCC1COCCO1	REAL250004651124	0	37	-1.0	-50.26	306.06	0.49	-49.77
O=C(CCCC1=NN=N[N-]1)NCCC1COCCO1	REAL250004651124	1	37	-1.0	-50.29	306.12	0.50	-49.79
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CCC2)C1	REAL250004651125	0	40	-1.0	-47.21	313.42	1.94	-45.27
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CCC2)C1	REAL250004651125	1	40	-1.0	-47.23	313.47	1.95	-45.28
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004651126	0	34	-1.0	-47.13	276.88	0.82	-46.31
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004651126	1	34	-1.0	-47.11	276.93	0.83	-46.28
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004651127	0	34	-1.0	-35.09	284.64	1.08	-34.01
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004651127	1	34	-1.0	-35.02	284.70	1.08	-33.94
COC(=O)C1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004651128	0	35	-1.0	-48.11	303.74	1.91	-46.20
COC(=O)C1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004651128	1	35	-1.0	-48.10	303.68	1.89	-46.21
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCCC2)C=C1	REAL250004651129	0	42	-1.0	-47.84	336.79	6.54	-41.30
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCCC2)C=C1	REAL250004651129	1	42	-1.0	-47.84	336.84	6.55	-41.29
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)C1	REAL250004651130	0	35	-1.0	-47.18	290.73	3.24	-43.94
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)C1	REAL250004651130	1	35	-1.0	-47.16	290.79	3.26	-43.90
O=C(NCC1CCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651131	0	35	-1.0	-36.61	301.71	3.03	-33.58
O=C(NCC1CCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651131	1	35	-1.0	-36.56	301.77	3.03	-33.53
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC=NC1=O	REAL250004651132	0	34	-1.0	-64.56	299.32	0.39	-64.17
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC=NC1=O	REAL250004651132	1	34	-1.0	-64.55	299.38	0.41	-64.14
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]1C1=NNC=N1	REAL250004651133	0	35	-1.0	-55.12	296.74	3.28	-51.84
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]1C1=NNC=N1	REAL250004651133	1	35	-1.0	-55.15	296.79	3.30	-51.85
O=C(CCCC1=N[N-]N=N1)N1CC(N2C=C(CO)N=N2)C1	REAL250004651134	0	36	-1.0	-56.86	312.62	-1.02	-57.88
O=C(CCCC1=NN=N[N-]1)N1CC(N2C=C(CO)N=N2)C1	REAL250004651134	1	36	-1.0	-56.87	312.68	-1.00	-57.87
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C2=NNC=C2)C1	REAL250004651135	0	34	-1.0	-54.56	297.00	-1.24	-55.80
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C2=NNC=C2)C1	REAL250004651135	1	34	-1.0	-54.56	297.06	-1.23	-55.79
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CCO)N=C1	REAL250004651136	0	36	-1.0	-49.28	314.91	-1.20	-50.48
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CCO)N=C1	REAL250004651136	1	36	-1.0	-49.27	314.85	-1.22	-50.49
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H]1C1=NOC=C1	REAL250004651139	0	35	-1.0	-53.04	296.87	3.88	-49.16
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1C1=NOC=C1	REAL250004651139	1	35	-1.0	-53.10	296.93	3.89	-49.21
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]1C1=NOC=C1	REAL250004651140	0	35	-1.0	-53.10	296.83	3.86	-49.24
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]1C1=NOC=C1	REAL250004651140	1	35	-1.0	-53.11	296.89	3.87	-49.24
CC1=NC=CN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651141	0	33	-1.0	-58.48	286.37	4.86	-53.62
CC1=NC=CN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651141	1	33	-1.0	-58.21	286.47	4.86	-53.35
CC1=NC=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651142	0	30	-1.0	-38.87	272.65	1.73	-37.14
CC1=NC=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651142	1	30	-1.0	-38.87	272.72	1.73	-37.14
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)N1	REAL250004651144	0	38	-1.0	-58.89	317.82	3.65	-55.24
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)N1	REAL250004651144	1	38	-1.0	-58.91	317.87	3.67	-55.24
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NC=CC=C2C=C1	REAL250004651145	0	34	-1.0	-49.72	294.51	3.76	-45.96
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NC=CC=C2C=C1	REAL250004651145	1	34	-1.0	-49.69	294.45	3.74	-45.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(O)=C1F	REAL250004651146	1	30	-1.0	-45.60	275.96	0.68	-44.92
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(O)=C1F	REAL250004651146	1	30	-1.0	-45.61	276.01	0.70	-44.91
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(F)F)N=C1	REAL250004651147	0	31	-1.0	-48.95	281.30	2.51	-46.44
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(F)F)N=C1	REAL250004651147	1	31	-1.0	-48.93	281.36	2.52	-46.41
CON(CCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651148	0	33	-1.0	-39.29	290.88	0.16	-39.13
CON(CCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651148	1	33	-1.0	-39.25	290.95	0.17	-39.08
CC1(C)[C@@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004651149	0	39	-1.0	-45.99	308.62	4.27	-41.72
CC1(C)[C@@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004651149	1	39	-1.0	-45.98	308.68	4.29	-41.69
CC1(C)[C@@H]2C[C@@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004651150	0	39	-1.0	-35.02	319.47	4.08	-30.94
CC1(C)[C@@H]2C[C@@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004651150	1	39	-1.0	-35.03	319.54	4.09	-30.94
CN(CCCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004651151	0	40	-1.0	-50.11	334.37	5.38	-44.73
CN(CCCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004651151	1	40	-1.0	-50.10	334.43	5.40	-44.70
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004651152	0	41	-1.0	-44.69	336.28	4.32	-40.37
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004651152	1	41	-1.0	-44.69	336.34	4.33	-40.36
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL250004651154	0	35	-1.0	-46.57	300.48	4.38	-42.19
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL250004651154	1	35	-1.0	-46.62	300.54	4.39	-42.23
CC1(C)SCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651155	0	39	-1.0	-48.16	318.48	3.87	-44.29
CC1(C)SCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651155	1	39	-1.0	-48.17	318.54	3.88	-44.29
COC(=O)CCC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651156	0	41	-1.0	-51.05	343.73	4.13	-46.92
COC(=O)CCC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651156	1	41	-1.0	-51.03	343.79	4.15	-46.88
NC(=O)[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651157	0	36	-1.0	-54.99	292.40	0.25	-54.74
NC(=O)[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651157	1	36	-1.0	-55.01	292.46	0.27	-54.74
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004651158	0	33	-1.0	-47.13	280.26	0.21	-46.92
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](F)[C@H](CO)C1	REAL250004651158	1	33	-1.0	-47.14	280.32	0.22	-46.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004651159	0	33	-1.0	-36.72	287.70	0.44	-36.28
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004651159	1	33	-1.0	-36.69	287.77	0.45	-36.24
CN1C(=O)C[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)CC[C@H]21	REAL250004651160	0	40	-1.0	-52.66	313.10	3.12	-49.54
CN1C(=O)C[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC[C@H]21	REAL250004651160	1	40	-1.0	-52.69	313.16	3.13	-49.56
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCC2)CC1	REAL250004651161	0	40	-1.0	-46.39	301.04	4.55	-41.84
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCC2)CC1	REAL250004651161	1	40	-1.0	-46.42	301.10	4.56	-41.86
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004651162	0	38	-1.0	-45.00	314.49	3.40	-41.60
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004651162	1	38	-1.0	-45.04	314.54	3.41	-41.63
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC=CCO2	REAL250004651163	0	35	-1.0	-46.75	292.76	2.83	-43.92
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC=CCO2	REAL250004651163	1	35	-1.0	-46.74	292.81	2.85	-43.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CC=CCO2	REAL250004651164	0	35	-1.0	-39.53	299.17	2.61	-36.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CC=CCO2	REAL250004651164	1	35	-1.0	-39.52	299.23	2.62	-36.90
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCCO2	REAL250004651165	0	37	-1.0	-49.71	299.73	2.86	-46.85
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCCO2	REAL250004651165	1	37	-1.0	-49.68	299.79	2.88	-46.80
COC(=O)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651166	0	32	-1.0	-53.94	289.06	1.30	-52.64
COC(=O)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651166	1	32	-1.0	-53.99	289.11	1.32	-52.67
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCOCC2	REAL250004651167	0	43	-1.0	-46.41	311.60	3.99	-42.42
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCOCC2	REAL250004651167	1	43	-1.0	-46.43	311.66	4.01	-42.42
COCC(F)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651168	0	35	-1.0	-55.64	303.92	3.37	-52.27
COCC(F)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651168	1	35	-1.0	-55.41	303.99	3.40	-52.01
COCC(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651169	0	32	-1.0	-38.35	289.77	0.28	-38.07
COCC(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651169	1	32	-1.0	-38.34	289.83	0.29	-38.05
CC1=NN=C(CCCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004651170	0	36	-1.0	-51.68	323.27	1.80	-49.88
CC1=NN=C(CCCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004651170	1	36	-1.0	-51.67	323.33	1.82	-49.85
CCC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004651171	0	42	-1.0	-46.84	338.37	7.20	-39.64
CCC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004651171	1	42	-1.0	-46.88	338.42	7.21	-39.67
C=CCC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004651172	0	42	-1.0	-47.86	349.67	6.11	-41.75
C=CCC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004651172	1	42	-1.0	-47.84	349.73	6.13	-41.71
N#CC1=CC=C(F)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651173	0	32	-1.0	-49.39	296.22	3.45	-45.94
N#CC1=CC=C(F)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651173	1	32	-1.0	-49.37	296.28	3.46	-45.91
NC(=O)C1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651174	0	35	-1.0	-55.55	304.43	-0.25	-55.80
NC(=O)C1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651174	1	35	-1.0	-55.60	304.49	-0.24	-55.84
N#CC1=CC(F)=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651175	0	32	-1.0	-47.60	297.16	3.44	-44.16
N#CC1=CC(F)=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651175	1	32	-1.0	-47.61	297.22	3.45	-44.16
CCC[C@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651176	0	40	-1.0	-53.15	329.34	3.71	-49.44
CCC[C@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651176	1	40	-1.0	-53.20	329.40	3.73	-49.47
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1CCCC1	REAL250004651177	0	42	-1.0	-49.33	328.61	5.97	-43.36
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1CCCC1	REAL250004651177	1	42	-1.0	-49.36	328.67	5.98	-43.38
CC1=CC=C(C2C(C)CN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004651178	0	42	-1.0	-50.17	343.47	7.10	-43.07
CC1=CC=C(C2C(C)CN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004651178	1	42	-1.0	-50.17	343.53	7.11	-43.06
CCC1=C(C)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004651179	0	34	-1.0	-52.67	301.67	4.00	-48.67
CCC1=C(C)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004651179	1	34	-1.0	-52.71	301.72	4.02	-48.69
CC(CC(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651180	0	35	-1.0	-59.01	286.62	0.80	-58.21
CC(CC(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651180	1	35	-1.0	-59.01	286.68	0.81	-58.20
CC(CC(N)=O)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651181	0	35	-1.0	-46.09	294.59	1.03	-45.06
CC(CC(N)=O)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651181	1	35	-1.0	-46.13	294.65	1.03	-45.10
COC(=O)C1C(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651182	0	38	-1.0	-53.77	316.73	4.39	-49.38
COC(=O)C1C(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651182	1	38	-1.0	-53.78	316.78	4.40	-49.38
O=C(CCCC1=N[N-]N=N1)NCC1CC=CCO1	REAL250004651183	0	34	-1.0	-46.89	285.91	1.48	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1CC=CCO1	REAL250004651183	1	34	-1.0	-46.89	285.97	1.49	-45.40
O=C(NCC1CC=CCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651184	0	34	-1.0	-36.41	296.76	1.23	-35.18
O=C(NCC1CC=CCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651184	1	34	-1.0	-36.36	296.83	1.23	-35.13
O=C(CCCC1=N[N-]N=N1)NCC1C(F)(F)C12CCC2	REAL250004651185	0	36	-1.0	-48.04	311.28	4.09	-43.95
O=C(CCCC1=NN=N[N-]1)NCC1C(F)(F)C12CCC2	REAL250004651185	1	36	-1.0	-48.09	311.33	4.10	-43.99
CC1=CC(C)=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004651186	0	42	-1.0	-48.45	334.15	6.95	-41.50
CC1=CC(C)=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004651186	1	42	-1.0	-48.48	334.20	6.97	-41.51
CC1=CSC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651187	0	35	-1.0	-47.34	309.05	5.37	-41.97
CC1=CSC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651187	1	35	-1.0	-47.30	309.11	5.38	-41.92
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004651188	0	34	-1.0	-48.54	290.40	3.02	-45.52
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004651188	1	34	-1.0	-48.53	290.46	3.04	-45.49
CCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL250004651189	0	34	-1.0	-36.14	301.01	2.82	-33.32
CCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL250004651189	1	34	-1.0	-36.07	301.08	2.82	-33.25
COC1=C(F)C=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651190	0	36	-1.0	-48.81	311.41	4.63	-44.18
COC1=C(F)C=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651190	1	36	-1.0	-48.80	311.47	4.65	-44.15
COC(=O)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004651191	0	40	-1.0	-52.91	324.35	3.45	-49.46
COC(=O)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004651191	1	40	-1.0	-52.92	324.41	3.46	-49.46
CC[C@H](C)[C@@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651192	0	43	-1.0	-53.25	346.07	4.29	-48.96
CC[C@H](C)[C@@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651192	1	43	-1.0	-53.28	346.13	4.30	-48.98
CNC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004651193	0	32	-1.0	-57.33	298.90	0.32	-57.01
CNC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004651193	1	32	-1.0	-57.27	298.84	0.30	-56.97
CNC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651194	0	36	-1.0	-59.34	314.04	0.69	-58.65
CNC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651194	1	36	-1.0	-59.33	313.99	0.68	-58.65
N#C[C@@H]1CSCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651195	0	28	-1.0	-50.92	260.16	2.83	-48.09
N#C[C@@H]1CSCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651195	1	28	-1.0	-50.95	260.21	2.84	-48.11
N#C[C@@H]1CSCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651196	0	28	-1.0	-38.21	268.25	3.15	-35.06
N#C[C@@H]1CSCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651196	1	28	-1.0	-38.19	268.31	3.15	-35.04
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1CCO	REAL250004651197	0	36	-1.0	-49.70	308.59	0.08	-49.62
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1CCO	REAL250004651197	1	36	-1.0	-49.67	308.64	0.10	-49.57
COC(=O)[C@@H](O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651198	0	35	-1.0	-51.40	306.62	-0.46	-51.86
COC(=O)[C@@H](O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651198	1	35	-1.0	-51.42	306.68	-0.44	-51.86
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CSN=C2C=C1	REAL250004651199	0	31	-1.0	-50.78	284.84	3.27	-47.51
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CSN=C2C=C1	REAL250004651199	1	31	-1.0	-50.76	284.78	3.26	-47.50
O=C(CCCC1=N[N-]N=N1)NNC(=O)CCN1C=CN=C1	REAL250004651200	0	36	-1.0	-50.10	318.39	2.49	-47.61
O=C(CCCC1=NN=N[N-]1)NNC(=O)CCN1C=CN=C1	REAL250004651200	1	36	-1.0	-50.11	318.45	2.51	-47.60
CCC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004651201	0	42	-1.0	-48.28	331.67	6.92	-41.36
CCC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004651201	1	42	-1.0	-48.35	331.72	6.94	-41.41
CCC1(CC)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651202	0	41	-1.0	-46.70	319.47	4.11	-42.59
CCC1(CC)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651202	1	41	-1.0	-46.74	319.53	4.13	-42.61
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CCC[C@]2(CO)C1	REAL250004651203	0	43	-1.0	-47.51	334.61	1.50	-46.01
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CCC[C@]2(CO)C1	REAL250004651203	1	43	-1.0	-47.55	334.67	1.52	-46.03
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2OCC[C@@H]2C1	REAL250004651204	0	40	-1.0	-46.83	305.47	3.66	-43.17
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2OCC[C@@H]2C1	REAL250004651204	1	40	-1.0	-46.82	305.53	3.67	-43.15
O=C(CCCC1=N[N-]N=N1)NCCCOC(F)(F)F	REAL250004651205	0	32	-1.0	-46.66	292.68	0.87	-45.79
O=C(CCCC1=NN=N[N-]1)NCCCOC(F)(F)F	REAL250004651205	1	32	-1.0	-46.67	292.74	0.89	-45.78
CCC[C@@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651206	0	40	-1.0	-53.19	329.34	3.71	-49.48
CCC[C@@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651206	1	40	-1.0	-53.19	329.39	3.73	-49.46
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004651207	0	35	-1.0	-45.43	300.23	2.56	-42.87
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004651207	1	35	-1.0	-45.47	300.28	2.58	-42.89
CC1=C2N=CC(NC(=O)CCCC3=NN=N[N-]3)=CN2N=C1	REAL250004651208	0	34	-1.0	-51.70	300.06	2.92	-48.78
CC1=C2N=CC(NC(=O)CCCC3=N[N-]N=N3)=CN2N=C1	REAL250004651208	1	34	-1.0	-51.71	300.00	2.90	-48.81
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=C(O)C=C2C=C1	REAL250004651209	0	36	-1.0	-50.38	310.45	2.77	-47.61
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=C(O)C=C2C=C1	REAL250004651209	1	36	-1.0	-50.41	310.51	2.79	-47.62
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H]2OCCC[C@H]12	REAL250004651210	0	37	-1.0	-46.86	292.31	2.18	-44.68
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2OCCC[C@H]12	REAL250004651210	1	37	-1.0	-46.89	292.36	2.19	-44.70
N#CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004651211	0	32	-1.0	-50.36	296.66	3.40	-46.96
N#CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004651211	1	32	-1.0	-50.40	296.71	3.42	-46.98
CC1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004651212	0	32	-1.0	-47.34	280.05	1.11	-46.23
CC1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004651212	1	32	-1.0	-47.36	280.11	1.12	-46.24
CC1=NC=CN=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651213	0	32	-1.0	-37.50	290.65	0.89	-36.61
CC1=NC=CN=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651213	1	32	-1.0	-37.47	290.71	0.89	-36.58
COC(=O)C1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=C1	REAL250004651214	0	35	-1.0	-51.44	313.16	2.21	-49.23
COC(=O)C1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=C1	REAL250004651214	1	35	-1.0	-51.46	313.22	2.22	-49.24
CN(CC1COC(C)(C)OC1)C(=O)CCCC1=N[N-]N=N1	REAL250004651215	0	43	-1.0	-48.86	332.28	3.32	-45.54
CN(CC1COC(C)(C)OC1)C(=O)CCCC1=NN=N[N-]1	REAL250004651215	1	43	-1.0	-48.86	332.34	3.34	-45.52
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC2CCC2)N=C1	REAL250004651216	0	39	-1.0	-53.24	324.72	4.04	-49.20
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC2CCC2)N=C1	REAL250004651216	1	39	-1.0	-53.21	324.67	4.02	-49.19
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CN2C=CN=C12	REAL250004651217	0	35	-1.0	-54.57	305.58	3.98	-50.59
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CN2C=CN=C12	REAL250004651217	1	35	-1.0	-54.59	305.64	4.00	-50.59
CC(C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651218	0	38	-1.0	-47.44	308.04	4.74	-42.70
CC(C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651218	1	38	-1.0	-47.48	308.10	4.75	-42.73
CC(C)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651219	0	38	-1.0	-36.72	316.01	4.68	-32.04
CC(C)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651219	1	38	-1.0	-36.69	316.08	4.69	-32.00
CC1=NOC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004651220	0	34	-1.0	-49.00	293.00	2.23	-46.77
CC1=NOC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004651220	1	34	-1.0	-49.07	293.06	2.25	-46.82
CC1=NOC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL250004651221	0	34	-1.0	-38.46	301.03	2.16	-36.30
CC1=NOC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL250004651221	1	34	-1.0	-38.39	301.10	2.17	-36.22
NC1=NC=CC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL250004651222	0	36	-1.0	-50.55	309.12	2.98	-47.57
NC1=NC=CC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL250004651222	1	36	-1.0	-50.55	309.17	3.00	-47.55
CC(C)[C@H](CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651223	0	38	-1.0	-52.00	312.39	2.41	-49.59
CC(C)[C@H](CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651223	1	38	-1.0	-51.80	312.49	2.43	-49.37
CC(C)[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651224	0	35	-1.0	-36.32	297.81	-0.63	-36.95
CC(C)[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651224	1	35	-1.0	-36.33	297.88	-0.61	-36.94
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004651225	0	45	-1.0	-46.77	351.54	3.34	-43.43
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004651225	1	45	-1.0	-46.84	351.59	3.35	-43.49
O=C(CCCC1=N[N-]N=N1)NCCC[C@@H]1NC(=O)NC1=O	REAL250004651226	0	37	-1.0	-55.29	320.02	-2.52	-57.81
O=C(CCCC1=NN=N[N-]1)NCCC[C@@H]1NC(=O)NC1=O	REAL250004651226	1	37	-1.0	-55.31	320.08	-2.51	-57.82
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=C2)N=N1	REAL250004651227	0	35	-1.0	-47.73	305.41	4.18	-43.55
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=C2)N=N1	REAL250004651227	1	35	-1.0	-47.75	305.36	4.17	-43.58
O=C(CCCC1=N[N-]N=N1)NNC1=CN=C(Cl)C=N1	REAL250004651228	0	29	-1.0	-45.80	278.88	0.85	-44.95
O=C(CCCC1=NN=N[N-]1)NNC1=CN=C(Cl)C=N1	REAL250004651228	1	29	-1.0	-45.79	278.94	0.87	-44.92
CC(F)(F)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651229	0	32	-1.0	-49.40	279.84	3.54	-45.86
CC(F)(F)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651229	1	32	-1.0	-49.40	279.90	3.55	-45.85
CC(F)(F)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651230	0	32	-1.0	-36.99	287.85	3.47	-33.52
CC(F)(F)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651230	1	32	-1.0	-36.94	287.92	3.48	-33.46
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@@H](CO)C[C@@H]21	REAL250004651231	0	37	-1.0	-51.34	300.53	1.24	-50.10
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@@H](CO)C[C@@H]21	REAL250004651231	1	37	-1.0	-51.36	300.59	1.26	-50.10
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004651233	0	35	-1.0	-47.76	306.06	4.18	-43.58
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004651233	1	35	-1.0	-47.77	306.12	4.19	-43.58
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC=C1Cl	REAL250004651234	0	31	-1.0	-46.59	288.82	2.13	-44.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC=C1Cl	REAL250004651234	1	31	-1.0	-46.57	288.87	2.15	-44.42
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004651235	0	36	-1.0	-57.19	297.14	0.11	-57.08
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004651235	1	36	-1.0	-57.20	297.20	0.13	-57.07
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2OCCC[C@H]12	REAL250004651236	0	37	-1.0	-45.83	287.95	3.14	-42.69
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2OCCC[C@H]12	REAL250004651236	1	37	-1.0	-45.83	288.01	3.16	-42.67
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651237	0	40	-1.0	-46.65	336.66	3.51	-43.14
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651237	1	40	-1.0	-46.69	336.72	3.52	-43.17
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1C2CCCC21	REAL250004651238	0	39	-1.0	-38.76	301.23	7.35	-31.41
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1C2CCCC21	REAL250004651238	1	39	-1.0	-38.63	301.34	7.36	-31.27
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C2CCCC21	REAL250004651239	0	36	-1.0	-36.15	288.44	5.49	-30.66
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C2CCCC21	REAL250004651239	1	36	-1.0	-36.14	288.51	5.49	-30.65
C=C[C@@H]1CCC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651240	0	39	-1.0	-45.97	310.62	4.72	-41.25
C=C[C@@H]1CCC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651240	1	39	-1.0	-45.99	310.68	4.73	-41.26
C=C[C@@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651241	0	39	-1.0	-35.32	321.21	4.52	-30.80
C=C[C@@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651241	1	39	-1.0	-35.34	321.28	4.53	-30.81
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(CCCC2)C1	REAL250004651242	0	45	-1.0	-47.12	339.20	5.27	-41.85
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(CCCC2)C1	REAL250004651242	1	45	-1.0	-47.16	339.26	5.29	-41.87
C=C[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651243	0	37	-1.0	-46.12	302.52	2.41	-43.71
C=C[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651243	1	37	-1.0	-46.13	302.58	2.42	-43.71
COCC1=C(C)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651244	0	39	-1.0	-47.82	321.45	3.80	-44.02
COCC1=C(C)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651244	1	39	-1.0	-47.84	321.51	3.82	-44.02
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004651245	0	32	-1.0	-46.18	289.88	1.96	-44.22
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004651245	1	32	-1.0	-46.16	289.94	1.97	-44.19
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2CC1C2	REAL250004651246	0	33	-1.0	-56.78	270.68	5.97	-50.81
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2CC1C2	REAL250004651246	1	33	-1.0	-57.31	270.30	5.95	-51.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1C2	REAL250004651247	0	30	-1.0	-37.52	259.20	3.52	-34.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1C2	REAL250004651247	1	30	-1.0	-37.50	259.28	3.53	-33.97
COC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004651248	0	39	-1.0	-46.19	313.65	3.20	-42.99
COC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004651248	1	39	-1.0	-46.19	313.71	3.21	-42.98
O=C(CCCC1=NN=N[N-]1)NCCN1C=C(Cl)C=N1	REAL250004651249	0	32	-1.0	-52.99	298.70	1.98	-51.01
O=C(CCCC1=N[N-]N=N1)NCCN1C=C(Cl)C=N1	REAL250004651249	1	32	-1.0	-52.96	298.65	1.96	-51.00
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)C1=CC=CC=C1	REAL250004651250	0	36	-1.0	-47.68	308.04	1.17	-46.51
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)C1=CC=CC=C1	REAL250004651250	1	36	-1.0	-47.70	308.10	1.19	-46.51
CO[C@@H]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]12	REAL250004651251	0	40	-1.0	-49.70	315.43	3.70	-46.00
CO[C@@H]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]12	REAL250004651251	1	40	-1.0	-49.71	315.49	3.71	-46.00
CC1(C)C2CCC1(NC(=O)CCCC1=N[N-]N=N1)CC2	REAL250004651252	0	42	-1.0	-47.36	315.83	4.11	-43.25
CC1(C)C2CCC1(NC(=O)CCCC1=NN=N[N-]1)CC2	REAL250004651252	1	42	-1.0	-47.34	315.88	4.12	-43.22
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C2CC2)=C1	REAL250004651253	0	39	-1.0	-46.12	328.30	5.58	-40.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C2CC2)=C1	REAL250004651253	1	39	-1.0	-46.09	328.36	5.59	-40.50
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C1=CC=CC=C1	REAL250004651254	0	36	-1.0	-47.81	308.53	1.08	-46.73
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C1=CC=CC=C1	REAL250004651254	1	36	-1.0	-47.84	308.59	1.09	-46.75
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CC[C@H]1O2	REAL250004651255	0	34	-1.0	-49.16	274.51	1.75	-47.41
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CC[C@H]1O2	REAL250004651255	1	34	-1.0	-49.16	274.56	1.77	-47.39
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651256	0	34	-1.0	-36.04	285.57	1.56	-34.48
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651256	1	34	-1.0	-36.00	285.64	1.58	-34.42
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)N2CCOCC12	REAL250004651257	0	38	-1.0	-48.86	300.12	1.45	-47.41
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)N2CCOCC12	REAL250004651257	1	38	-1.0	-48.86	300.17	1.46	-47.40
COC(=O)C[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651258	0	41	-1.0	-48.90	321.76	5.66	-43.24
COC(=O)C[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651258	1	41	-1.0	-48.91	321.81	5.67	-43.24
C=C1CON(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651259	0	31	-1.0	-50.60	270.11	5.11	-45.49
C=C1CON(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651259	1	31	-1.0	-50.46	270.19	5.11	-45.35
C=C1CON(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651260	0	28	-1.0	-38.33	257.48	2.25	-36.08
C=C1CON(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651260	1	28	-1.0	-38.35	257.55	2.26	-36.09
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CCO)N=C1	REAL250004651261	0	36	-1.0	-49.28	314.91	-1.20	-50.48
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CCO)N=C1	REAL250004651261	1	36	-1.0	-49.27	314.85	-1.22	-50.49
CC1=NN(CCO)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651262	0	39	-1.0	-49.18	336.18	-0.66	-49.84
CC1=NN(CCO)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651262	1	39	-1.0	-49.23	336.23	-0.65	-49.88
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCCNC1=O	REAL250004651263	0	36	-1.0	-57.09	285.79	0.77	-56.32
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCCNC1=O	REAL250004651263	1	36	-1.0	-57.12	285.84	0.79	-56.33
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651264	0	36	-1.0	-55.89	303.84	3.79	-52.10
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651264	1	36	-1.0	-55.75	303.94	3.79	-51.96
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651265	0	33	-1.0	-36.60	290.16	0.65	-35.95
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651265	1	33	-1.0	-36.56	290.22	0.66	-35.90
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651266	0	33	-1.0	-50.66	283.38	3.12	-47.54
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651266	1	33	-1.0	-50.44	283.46	3.12	-47.32
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651267	0	30	-1.0	-37.97	269.20	0.02	-37.95
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651267	1	30	-1.0	-37.95	269.27	0.03	-37.92
CCC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651268	0	34	-1.0	-47.25	287.81	3.19	-44.06
CCC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651268	1	34	-1.0	-47.25	287.87	3.20	-44.05
CCC1=NC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651269	0	34	-1.0	-35.58	297.74	2.94	-32.64
CCC1=NC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651269	1	34	-1.0	-35.57	297.81	2.95	-32.62
C=C1COCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651270	0	34	-1.0	-51.64	292.31	3.38	-48.26
C=C1COCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651270	1	34	-1.0	-51.45	292.41	3.38	-48.07
C=C1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651271	0	31	-1.0	-35.42	278.45	0.25	-35.17
C=C1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651271	1	31	-1.0	-35.37	278.52	0.26	-35.11
CO[C@@H]1CN(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651272	1	38	-1.0	-49.75	311.92	-1.36	-51.11
CO[C@@H]1CN(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651272	1	38	-1.0	-49.74	311.98	-1.35	-51.09
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCC1	REAL250004651273	0	42	-1.0	-49.31	323.96	1.11	-48.20
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCC1	REAL250004651273	1	42	-1.0	-49.31	324.02	1.13	-48.18
COC[C@H]1[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)CC[C@H]12	REAL250004651274	0	40	-1.0	-50.53	320.53	4.00	-46.53
COC[C@H]1[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC[C@H]12	REAL250004651274	1	40	-1.0	-50.50	320.59	4.01	-46.49
C#CCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651275	0	34	-1.0	-47.15	296.28	3.28	-43.87
C#CCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651275	1	34	-1.0	-47.11	296.34	3.29	-43.82
C#CCOCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651276	0	34	-1.0	-37.78	304.22	3.66	-34.12
C#CCOCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651276	1	34	-1.0	-37.70	304.28	3.69	-34.01
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CC=N1	REAL250004651277	0	33	-1.0	-52.23	290.55	1.44	-50.79
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CC=N1	REAL250004651277	1	33	-1.0	-52.22	290.61	1.46	-50.76
O=C(NCCC1=NC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651278	0	33	-1.0	-39.98	301.15	1.24	-38.74
O=C(NCCC1=NC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651278	1	33	-1.0	-39.98	301.21	1.25	-38.73
CC1=NC2=C(CCC(NC(=O)CCCC3=N[N-]N=N3)C2)N1	REAL250004651279	0	39	-1.0	-56.35	321.19	2.64	-53.71
CC1=NC2=C(CC(NC(=O)CCCC3=N[N-]N=N3)CC2)N1	REAL250004651279	1	39	-1.0	-51.57	321.19	2.64	-48.93
CC1=NC2=C(CCC(NC(=O)CCCC3=NN=N[N-]3)C2)N1	REAL250004651279	1	39	-1.0	-56.37	321.25	2.66	-53.71
CC1=NC2=C(CC(NC(=O)CCCC3=NN=N[N-]3)CC2)N1	REAL250004651279	1	39	-1.0	-51.55	321.25	2.66	-48.89
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(O)C1C2	REAL250004651281	0	40	-1.0	-51.01	302.74	1.75	-49.26
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(O)C1C2	REAL250004651281	1	40	-1.0	-51.03	302.79	1.76	-49.27
CC1(C)[C@@H]2C[C@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004651283	0	39	-1.0	-46.93	308.62	4.28	-42.65
CC1(C)[C@@H]2C[C@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004651283	1	39	-1.0	-46.95	308.68	4.29	-42.66
CC1(C)[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004651284	0	39	-1.0	-34.86	319.29	4.05	-30.81
CC1(C)[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004651284	1	39	-1.0	-34.86	319.36	4.06	-30.80
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2OCOC2=C1	REAL250004651285	0	31	-1.0	-51.44	274.27	-0.99	-52.43
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2OCOC2=C1	REAL250004651285	1	31	-1.0	-51.46	274.21	-1.00	-52.46
COCC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651286	0	43	-1.0	-46.66	326.92	1.51	-45.15
COCC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651286	1	43	-1.0	-46.64	326.97	1.52	-45.12
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2CC2(F)F)C=C1	REAL250004651287	0	33	-1.0	-52.22	298.13	3.82	-48.40
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2CC2(F)F)C=C1	REAL250004651287	1	33	-1.0	-52.18	298.08	3.81	-48.37
CC(C)(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651288	0	41	-1.0	-45.58	312.91	0.37	-45.21
CC(C)(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651288	1	41	-1.0	-45.58	312.97	0.38	-45.20
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651290	1	38	-1.0	-36.09	302.97	1.98	-34.11
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651290	1	38	-1.0	-36.08	303.04	1.98	-34.10
CNC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004651291	0	33	-1.0	-48.71	282.97	1.26	-47.45
CNC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004651291	1	33	-1.0	-48.73	283.03	1.27	-47.46
CNC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004651292	0	33	-1.0	-36.97	293.54	1.05	-35.92
CNC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004651292	1	33	-1.0	-36.96	293.61	1.06	-35.90
CC1(O)CON(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651293	0	34	-1.0	-54.32	288.38	1.86	-52.46
CC1(O)CON(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651293	1	34	-1.0	-54.18	288.47	1.85	-52.33
CC1(O)CON(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651294	0	31	-1.0	-40.65	275.65	-0.96	-41.61
CC1(O)CON(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651294	1	31	-1.0	-40.61	275.72	-0.94	-41.55
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004651295	0	35	-1.0	-63.09	302.19	-0.13	-63.22
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004651295	1	35	-1.0	-63.06	302.24	-0.12	-63.18
CC(C)C1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651296	0	42	-1.0	-49.27	314.73	2.44	-46.83
CC(C)C1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651296	1	42	-1.0	-49.29	314.79	2.46	-46.83
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)OCCO2	REAL250004651297	0	34	-1.0	-53.76	293.82	2.23	-51.53
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)OCCO2	REAL250004651297	1	34	-1.0	-53.74	293.76	2.21	-51.53
CCSCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651298	0	35	-1.0	-54.58	310.12	5.45	-49.13
CCSCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651298	1	35	-1.0	-54.42	310.19	5.47	-48.95
CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651299	0	32	-1.0	-35.68	295.97	2.36	-33.32
CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651299	1	32	-1.0	-35.68	296.03	2.37	-33.31
CC(NC(=O)CCCC1=N[N-]N=N1)C1(O)CCCCC1	REAL250004651300	0	42	-1.0	-46.24	321.56	1.86	-44.38
CC(NC(=O)CCCC1=NN=N[N-]1)C1(O)CCCCC1	REAL250004651300	1	42	-1.0	-46.24	321.62	1.87	-44.37
CC1(C)C2CCC1(CNC(=O)CCCC1=N[N-]N=N1)CC2	REAL250004651301	0	45	-1.0	-45.88	338.69	4.90	-40.98
CC1(C)C2CCC1(CNC(=O)CCCC1=NN=N[N-]1)CC2	REAL250004651301	1	45	-1.0	-45.85	338.75	4.91	-40.94
CC1=CC=CC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651302	0	38	-1.0	-45.91	313.72	4.53	-41.38
CC1=CC=CC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651302	1	38	-1.0	-45.91	313.77	4.54	-41.37
CC1(C)CCC(CO)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651303	0	42	-1.0	-46.57	328.55	0.89	-45.68
CC1(C)CCC(CO)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651303	1	42	-1.0	-46.59	328.61	0.90	-45.69
CC1=CC=CC(C2C(C)CN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651304	0	42	-1.0	-50.05	343.51	7.09	-42.96
CC1=CC=CC(C2C(C)CN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651304	1	42	-1.0	-50.05	343.57	7.11	-42.94
C=CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCC1	REAL250004651305	0	39	-1.0	-52.94	310.17	6.43	-46.51
C=CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCC1	REAL250004651305	1	39	-1.0	-52.73	310.28	6.46	-46.27
C=CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004651306	0	36	-1.0	-35.70	296.39	3.35	-32.35
C=CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004651306	1	36	-1.0	-35.70	296.46	3.35	-32.35
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)O1	REAL250004651307	0	33	-1.0	-48.39	290.95	3.21	-45.18
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)O1	REAL250004651307	1	33	-1.0	-48.42	291.01	3.23	-45.19
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NS1	REAL250004651308	0	28	-1.0	-54.38	261.14	2.96	-51.42
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NS1	REAL250004651308	1	28	-1.0	-54.35	261.20	2.97	-51.38
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NS1	REAL250004651309	0	28	-1.0	-39.50	271.72	2.73	-36.77
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NS1	REAL250004651309	1	28	-1.0	-39.47	271.79	2.74	-36.73
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=C2)C1	REAL250004651310	0	35	-1.0	-52.75	296.45	3.66	-49.09
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=C2)C1	REAL250004651310	1	35	-1.0	-52.75	296.50	3.67	-49.08
O=C(CCCC1=N[N-]N=N1)NCC#CC1=CC=CN=C1	REAL250004651311	0	33	-1.0	-47.51	301.58	3.19	-44.32
O=C(CCCC1=NN=N[N-]1)NCC#CC1=CC=CN=C1	REAL250004651311	1	33	-1.0	-47.51	301.64	3.21	-44.30
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NNC=C2)C1	REAL250004651312	0	33	-1.0	-51.99	284.84	1.98	-50.01
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NNC=C2)C1	REAL250004651312	1	33	-1.0	-52.01	284.89	1.99	-50.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NNC=C2)C1	REAL250004651313	0	33	-1.0	-39.90	292.82	1.91	-37.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NNC=C2)C1	REAL250004651313	1	33	-1.0	-39.84	292.89	1.92	-37.92
CC1(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL250004651314	0	38	-1.0	-51.14	308.55	-0.13	-51.27
CC1(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL250004651314	1	38	-1.0	-51.12	308.61	-0.11	-51.23
C[C@H](C1=CC=CN=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651317	0	37	-1.0	-49.17	301.96	4.19	-44.98
C[C@H](C1=CC=CN=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651317	1	37	-1.0	-49.14	301.90	4.18	-44.96
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004651318	0	35	-1.0	-52.47	295.74	2.36	-50.11
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004651318	1	35	-1.0	-52.49	295.79	2.37	-50.12
CCC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1C	REAL250004651319	0	35	-1.0	-39.14	306.29	2.15	-36.99
CCC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NN1C	REAL250004651319	1	35	-1.0	-39.08	306.35	2.16	-36.92
CC1=NC=CN=C1[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651320	0	36	-1.0	-47.01	305.65	1.19	-45.82
CC1=NC=CN=C1[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651320	1	36	-1.0	-47.05	305.71	1.20	-45.85
CC1=NC=CN=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651321	0	36	-1.0	-47.00	305.78	1.18	-45.82
CC1=NC=CN=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651321	1	36	-1.0	-47.04	305.84	1.19	-45.85
O=C(CCCC1=N[N-]N=N1)N(C1CC1)[C@@H]1COC[C@H]1O	REAL250004651322	0	38	-1.0	-46.54	304.24	-0.16	-46.70
O=C(CCCC1=NN=N[N-]1)N(C1CC1)[C@@H]1COC[C@H]1O	REAL250004651322	1	38	-1.0	-46.55	304.30	-0.14	-46.69
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CCOCC2	REAL250004651323	0	43	-1.0	-47.43	338.91	3.07	-44.36
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CCOCC2	REAL250004651323	1	43	-1.0	-47.42	338.96	3.09	-44.33
CC(C)(C)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651324	0	45	-1.0	-46.28	331.07	4.31	-41.97
CC(C)(C)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651324	1	45	-1.0	-46.29	331.13	4.33	-41.96
C=C(C)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651325	0	38	-1.0	-46.76	316.38	4.22	-42.54
C=C(C)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651325	1	38	-1.0	-46.74	316.44	4.24	-42.50
C=C(C)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651326	0	38	-1.0	-35.29	326.94	4.02	-31.27
C=C(C)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651326	1	38	-1.0	-35.28	327.01	4.04	-31.24
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1COCCO1	REAL250004651327	0	34	-1.0	-47.25	285.22	-0.32	-47.57
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1COCCO1	REAL250004651327	1	34	-1.0	-47.24	285.28	-0.30	-47.54
O=C(NC[C@@H]1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651328	0	34	-1.0	-36.98	295.82	-0.52	-37.50
O=C(NC[C@@H]1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651328	1	34	-1.0	-36.98	295.89	-0.51	-37.49
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCSC2	REAL250004651329	0	40	-1.0	-45.41	305.34	5.39	-40.02
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCSC2	REAL250004651329	1	40	-1.0	-45.45	305.40	5.41	-40.04
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2C(=O)CCC2=C1	REAL250004651330	0	38	-1.0	-49.86	327.23	4.46	-45.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2C(=O)CCC2=C1	REAL250004651330	1	38	-1.0	-49.87	327.29	4.47	-45.40
COC(=O)C1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651331	0	41	-1.0	-46.67	326.02	4.86	-41.81
COC(=O)C1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651331	1	41	-1.0	-46.67	326.08	4.88	-41.79
CC(O)(CCNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004651332	0	35	-1.0	-48.35	304.88	-0.41	-48.76
CC(O)(CCNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004651332	1	35	-1.0	-48.32	304.94	-0.40	-48.72
CCC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004651333	0	42	-1.0	-49.53	332.47	7.39	-42.14
CCC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004651333	1	42	-1.0	-49.56	332.53	7.40	-42.16
CC(C)[C@@H]1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651334	0	39	-1.0	-45.11	293.08	2.85	-42.26
CC(C)[C@@H]1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651334	1	39	-1.0	-45.10	293.14	2.86	-42.24
CC12COC(=O)N1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004651335	0	38	-1.0	-50.55	308.70	2.67	-47.88
CC12COC(=O)N1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004651335	1	38	-1.0	-50.59	308.75	2.69	-47.90
CCOC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004651336	0	41	-1.0	-52.77	340.83	4.71	-48.06
CCOC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004651336	1	41	-1.0	-52.74	340.89	4.72	-48.02
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12CCC2	REAL250004651337	0	42	-1.0	-46.69	321.82	5.12	-41.57
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12CCC2	REAL250004651337	1	42	-1.0	-46.74	321.87	5.14	-41.60
COCC1=NOC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651338	0	35	-1.0	-49.15	309.56	0.52	-48.63
COCC1=NOC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651338	1	35	-1.0	-49.15	309.61	0.53	-48.62
CC1(NC(=O)CCCC2=N[N-]N=N2)CC2CCC(C1)S2	REAL250004651339	0	40	-1.0	-46.91	305.49	4.23	-42.68
CC1(NC(=O)CCCC2=NN=N[N-]2)CC2CCC(C1)S2	REAL250004651339	1	40	-1.0	-46.92	305.55	4.25	-42.67
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004651340	0	35	-1.0	-50.49	312.34	2.38	-48.11
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004651340	1	35	-1.0	-50.50	312.40	2.39	-48.11
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C2CC2)N=C1	REAL250004651341	0	39	-1.0	-48.92	330.50	3.57	-45.35
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C2CC2)N=C1	REAL250004651341	1	39	-1.0	-48.97	330.44	3.56	-45.41
NC(=O)NC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651343	0	35	-1.0	-55.86	299.26	-2.56	-58.42
NC(=O)NC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651343	1	35	-1.0	-55.82	299.32	-2.54	-58.36
CCC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004651344	0	42	-1.0	-47.14	331.81	6.99	-40.15
CCC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004651344	1	42	-1.0	-47.11	331.87	7.00	-40.11
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CCC1	REAL250004651345	0	39	-1.0	-49.01	315.91	1.12	-47.89
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CCC1	REAL250004651345	1	39	-1.0	-49.06	315.97	1.14	-47.92
CC1=NN=C2C(C)N(C(=O)CCCC3=N[N-]N=N3)CCN12	REAL250004651348	0	38	-1.0	-55.54	306.98	4.54	-51.00
CC1=NN=C2C(C)N(C(=O)CCCC3=NN=N[N-]3)CCN12	REAL250004651348	1	38	-1.0	-55.59	307.04	4.55	-51.04
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CC=CC1	REAL250004651349	0	34	-1.0	-47.36	294.22	1.21	-46.15
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CC=CC1	REAL250004651349	1	34	-1.0	-47.35	294.28	1.22	-46.13
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CC1	REAL250004651350	0	34	-1.0	-40.63	304.78	1.01	-39.62
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CC1	REAL250004651350	1	34	-1.0	-40.60	304.85	1.02	-39.58
O=C(CCCC1=N[N-]N=N1)N1CCC2CC1CO2	REAL250004651351	0	34	-1.0	-45.82	268.65	2.42	-43.40
O=C(CCCC1=NN=N[N-]1)N1CCC2CC1CO2	REAL250004651351	1	34	-1.0	-45.82	268.71	2.43	-43.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC1CO2	REAL250004651352	0	34	-1.0	-34.69	276.13	2.70	-31.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC1CO2	REAL250004651352	1	34	-1.0	-34.72	276.20	2.71	-32.01
CC1C2=NC=CN2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651353	0	36	-1.0	-52.08	290.87	4.06	-48.02
CC1C2=NC=CN2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651353	1	36	-1.0	-52.07	290.93	4.07	-48.00
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NNN=C2)C1	REAL250004651354	0	35	-1.0	-51.59	295.22	1.40	-50.19
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NNN=C2)C1	REAL250004651354	1	35	-1.0	-51.61	295.28	1.41	-50.20
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1F	REAL250004651355	0	35	-1.0	-58.78	288.55	5.94	-52.84
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@@H]1F	REAL250004651355	1	35	-1.0	-58.50	289.30	5.88	-52.62
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1F	REAL250004651356	0	32	-1.0	-37.73	275.22	3.76	-33.97
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1F	REAL250004651356	1	32	-1.0	-37.75	275.28	3.76	-33.99
CC1(CNC(=O)CCCC2=N[N-]N=N2)CSC1	REAL250004651357	0	33	-1.0	-46.55	283.11	2.79	-43.76
CC1(CNC(=O)CCCC2=NN=N[N-]2)CSC1	REAL250004651357	1	33	-1.0	-46.54	283.17	2.81	-43.73
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CSC1	REAL250004651358	0	33	-1.0	-35.89	293.71	2.58	-33.31
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CSC1	REAL250004651358	1	33	-1.0	-35.87	293.78	2.60	-33.27
N#CC1(C(N)=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651359	0	34	-1.0	-56.24	297.02	-0.49	-56.73
N#CC1(C(N)=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651359	1	34	-1.0	-56.28	297.08	-0.48	-56.76
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCCC(C1)C2	REAL250004651360	0	45	-1.0	-46.01	335.79	5.25	-40.76
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCCC(C1)C2	REAL250004651360	1	45	-1.0	-46.02	335.85	5.26	-40.76
CC12CC(C(O)CC1)N(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004651361	0	40	-1.0	-51.60	311.87	2.10	-49.50
CC12CC(C(O)CC1)N(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004651361	1	40	-1.0	-51.61	311.93	2.12	-49.49
O=C(CCCC1=N[N-]N=N1)N1CC23CCCC2(COC3)C1	REAL250004651362	0	41	-1.0	-47.61	315.55	3.31	-44.30
O=C(CCCC1=NN=N[N-]1)N1CC23CCCC2(COC3)C1	REAL250004651362	1	41	-1.0	-47.61	315.61	3.32	-44.29
CC1(CNC(=O)CCCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004651363	0	35	-1.0	-52.56	298.86	-0.74	-53.30
CC1(CNC(=O)CCCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004651363	1	35	-1.0	-52.61	298.92	-0.73	-53.34
O=C(NC1C2CCCCC21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651364	0	39	-1.0	-53.69	314.46	6.61	-47.08
O=C(NC1C2CCCCC21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651364	1	39	-1.0	-53.58	314.53	6.63	-46.95
O=C(NC1C2CCCCC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651365	0	36	-1.0	-35.09	300.20	3.53	-31.56
O=C(NC1C2CCCCC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651365	1	36	-1.0	-35.13	300.26	3.53	-31.60
CCCNC(=O)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651366	0	38	-1.0	-47.12	319.20	0.57	-46.55
CCCNC(=O)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651366	1	38	-1.0	-47.18	319.26	0.59	-46.59
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)(CCO)C1	REAL250004651367	0	40	-1.0	-48.65	320.21	-2.10	-50.75
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)(CCO)C1	REAL250004651367	1	40	-1.0	-48.67	320.27	-2.08	-50.75
CC1=CC(O)=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651368	0	33	-1.0	-51.92	288.04	1.42	-50.50
CC1=CC(O)=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651368	1	33	-1.0	-51.94	288.10	1.43	-50.51
CC(NC(=O)CCCC1=N[N-]N=N1)C12CC(C1)CO2	REAL250004651369	0	37	-1.0	-45.54	304.08	1.97	-43.57
CC(NC(=O)CCCC1=NN=N[N-]1)C12CC(C1)CO2	REAL250004651369	1	37	-1.0	-45.53	304.13	1.98	-43.55
CC1(C)CCOC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651370	0	39	-1.0	-46.79	310.32	1.62	-45.17
CC1(C)CCOC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651370	1	39	-1.0	-46.82	310.38	1.63	-45.19
C[C@H](CS(N)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004651371	0	33	-1.0	-58.15	293.74	-3.23	-61.38
C[C@H](CS(N)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004651371	1	33	-1.0	-58.18	293.80	-3.21	-61.39
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)CS1(=O)=O	REAL250004651372	0	35	-1.0	-52.09	299.41	-0.95	-53.04
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)CS1(=O)=O	REAL250004651372	1	35	-1.0	-52.05	299.47	-0.93	-52.98
C[C@@H](CS(N)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004651373	0	33	-1.0	-58.25	294.86	-3.36	-61.61
C[C@@H](CS(N)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004651373	1	33	-1.0	-58.27	294.92	-3.35	-61.62
O=C(CCCC1=N[N-]N=N1)NN1CC2CCCC2C1	REAL250004651374	0	38	-1.0	-48.30	301.47	3.17	-45.13
O=C(CCCC1=NN=N[N-]1)NN1CC2CCCC2C1	REAL250004651374	1	38	-1.0	-48.35	301.53	3.18	-45.17
O=C(NN1CC2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651375	0	38	-1.0	-35.81	312.14	2.97	-32.84
O=C(NN1CC2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651375	1	38	-1.0	-35.81	312.20	2.97	-32.84
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004651376	0	33	-1.0	-50.33	283.29	-1.22	-51.55
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004651376	1	33	-1.0	-50.38	283.35	-1.20	-51.58
NC(=O)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004651377	0	33	-1.0	-41.54	296.43	-1.23	-42.77
NC(=O)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004651377	1	33	-1.0	-41.50	296.51	-1.23	-42.73
C#C[C@]1(C)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651378	0	37	-1.0	-56.66	304.35	7.06	-49.60
C#C[C@]1(C)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651378	1	37	-1.0	-56.29	303.85	7.05	-49.24
C#C[C@]1(C)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651379	0	34	-1.0	-38.17	292.52	4.86	-33.31
C#C[C@]1(C)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651379	1	34	-1.0	-38.11	292.58	4.87	-33.24
CCN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004651380	0	38	-1.0	-52.98	312.35	6.38	-46.60
CCN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004651380	1	38	-1.0	-53.04	312.40	6.40	-46.64
CC(CC1=CC=CC=C1O)NC(=O)CCCC1=N[N-]N=N1	REAL250004651381	0	39	-1.0	-52.09	329.96	2.39	-49.70
CC(CC1=CC=CC=C1O)NC(=O)CCCC1=NN=N[N-]1	REAL250004651381	1	39	-1.0	-52.11	330.01	2.40	-49.71
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004651382	0	43	-1.0	-52.86	339.94	4.15	-48.71
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004651382	1	43	-1.0	-52.84	340.00	4.16	-48.68
CC1=NOC(C(NC(=O)CCCC2=N[N-]N=N2)C(C)C)=N1	REAL250004651383	0	39	-1.0	-45.43	323.28	0.94	-44.49
CC1=NOC(C(NC(=O)CCCC2=NN=N[N-]2)C(C)C)=N1	REAL250004651383	1	39	-1.0	-45.44	323.33	0.96	-44.48
CN(CC(O)CF)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651384	0	35	-1.0	-41.79	294.66	3.85	-37.94
CN(CC(O)CF)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651384	1	35	-1.0	-41.61	294.76	3.87	-37.74
CN(CC(O)CF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651385	0	32	-1.0	-40.48	282.02	0.66	-39.82
CN(CC(O)CF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651385	1	32	-1.0	-40.45	282.09	0.69	-39.76
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CC2(F)F)N=C1	REAL250004651386	0	33	-1.0	-49.86	295.31	2.72	-47.14
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CC2(F)F)N=C1	REAL250004651386	1	33	-1.0	-49.84	295.25	2.71	-47.13
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(COCC2)N1	REAL250004651387	0	34	-1.0	-46.65	286.46	2.74	-43.91
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(COCC2)N1	REAL250004651387	1	34	-1.0	-46.67	286.51	2.76	-43.91
CN(CCCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004651388	0	37	-1.0	-60.05	322.40	0.90	-59.15
CN(CCCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004651388	1	37	-1.0	-60.01	322.46	0.92	-59.09
COC(=O)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004651389	0	43	-1.0	-52.87	339.94	4.15	-48.72
COC(=O)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004651389	1	43	-1.0	-52.88	340.00	4.16	-48.72
NC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651390	0	31	-1.0	-50.90	276.06	-2.02	-52.92
NC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651390	1	31	-1.0	-50.91	276.12	-2.01	-52.92
NC(=O)OC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651391	0	31	-1.0	-40.66	284.04	-2.09	-42.75
NC(=O)OC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651391	1	31	-1.0	-40.65	284.11	-2.08	-42.73
O=C(NC1CCNC1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651392	0	33	-1.0	-65.11	284.65	1.19	-63.92
O=C(NC1CCNC1=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651392	1	33	-1.0	-64.89	284.75	1.19	-63.70
O=C(NC1CCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651393	0	30	-1.0	-44.99	270.82	-1.93	-46.92
O=C(NC1CCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651393	1	30	-1.0	-44.94	270.89	-1.93	-46.87
NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651394	0	39	-1.0	-50.98	317.16	-0.17	-51.15
NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651394	1	39	-1.0	-50.96	317.22	-0.16	-51.12
CC(C)(C)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651395	0	41	-1.0	-46.03	311.79	4.84	-41.19
CC(C)(C)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651395	1	41	-1.0	-46.00	311.84	4.86	-41.14
CN(CCC(F)F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651396	0	34	-1.0	-38.82	293.62	6.26	-32.56
CN(CCC(F)F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651396	1	34	-1.0	-38.68	293.72	6.28	-32.40
CN(CCC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651397	0	31	-1.0	-39.00	279.11	4.02	-34.98
CN(CCC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651397	1	31	-1.0	-39.02	279.18	4.05	-34.97
CN(CC1CC(F)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004651398	0	35	-1.0	-49.40	290.41	4.72	-44.68
CN(CC1CC(F)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004651398	1	35	-1.0	-49.43	290.47	4.73	-44.70
CN(CC1CC(F)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651399	0	35	-1.0	-37.12	298.33	5.12	-32.00
CN(CC1CC(F)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651399	1	35	-1.0	-37.09	298.40	5.15	-31.94
N#CC[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651401	0	36	-1.0	-54.70	304.51	3.63	-51.07
N#CC[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651401	1	36	-1.0	-54.72	304.57	3.65	-51.07
N#CC[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651402	0	36	-1.0	-41.09	314.64	3.37	-37.72
N#CC[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651402	1	36	-1.0	-41.09	314.70	3.37	-37.72
COCC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651403	0	36	-1.0	-45.89	309.76	3.30	-42.59
COCC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651403	1	36	-1.0	-45.88	309.81	3.31	-42.57
CN1N=CC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004651404	0	38	-1.0	-50.03	322.35	2.57	-47.46
CN1N=CC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004651404	1	38	-1.0	-50.05	322.40	2.58	-47.47
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL250004651405	0	36	-1.0	-58.47	301.59	0.53	-57.94
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL250004651405	1	36	-1.0	-58.52	301.65	0.54	-57.98
C#CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004651406	0	34	-1.0	-45.68	295.92	3.26	-42.42
C#CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004651406	1	34	-1.0	-45.71	295.98	3.27	-42.44
C#CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651407	0	34	-1.0	-36.63	302.11	3.83	-32.80
C#CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651407	1	34	-1.0	-36.60	302.17	3.83	-32.77
CC=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651408	0	32	-1.0	-52.32	278.44	4.76	-47.56
CC=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651408	1	32	-1.0	-52.16	278.50	4.78	-47.38
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](O)[C@@H](O)CO1	REAL250004651409	0	32	-1.0	-47.30	272.33	-3.47	-50.77
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@@H](O)CO1	REAL250004651409	1	32	-1.0	-47.29	272.39	-3.46	-50.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)[C@@H](O)CO1	REAL250004651410	0	32	-1.0	-39.52	281.07	-2.88	-42.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@@H](O)CO1	REAL250004651410	1	32	-1.0	-39.46	281.14	-2.87	-42.33
O=C(CCCC1=N[N-]N=N1)NC1(CO)CC2CCC1CC2	REAL250004651411	0	43	-1.0	-46.75	320.91	1.50	-45.25
O=C(CCCC1=NN=N[N-]1)NC1(CO)CC2CCC1CC2	REAL250004651411	1	43	-1.0	-46.76	320.97	1.51	-45.25
C[C@@H](C(=O)N(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651414	0	38	-1.0	-50.74	301.63	2.44	-48.30
C[C@@H](C(=O)N(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651414	1	38	-1.0	-50.72	301.69	2.46	-48.26
CC(C)(C)OC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651415	0	41	-1.0	-50.72	339.01	3.95	-46.77
CC(C)(C)OC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651415	1	41	-1.0	-50.72	339.07	3.96	-46.76
CC[C@@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651416	0	37	-1.0	-53.03	307.84	2.96	-50.07
CC[C@@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651416	1	37	-1.0	-53.01	307.90	2.98	-50.03
O=C(CCCC1=NN=N[N-]1)NC1=C2C=COC2=CC=N1	REAL250004651417	0	31	-1.0	-53.65	276.41	3.43	-50.22
O=C(CCCC1=N[N-]N=N1)NC1=C2C=COC2=CC=N1	REAL250004651417	1	31	-1.0	-53.66	276.35	3.42	-50.24
C=CC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004651418	0	37	-1.0	-45.83	290.57	2.10	-43.73
C=CC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004651418	1	37	-1.0	-45.86	290.63	2.11	-43.75
C[C@H](CC(=O)OC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651419	0	43	-1.0	-52.22	348.90	4.38	-47.84
C[C@H](CC(=O)OC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651419	1	43	-1.0	-52.26	348.97	4.40	-47.86
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC(OC)C1	REAL250004651420	0	39	-1.0	-53.98	331.05	1.42	-52.56
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC(OC)C1	REAL250004651420	1	39	-1.0	-54.04	331.10	1.44	-52.60
COC(=O)[C@]1(NC(=O)CCCC2=N[N-]N=N2)C[C@@H](OC)C1	REAL250004651421	0	39	-1.0	-51.96	331.24	1.35	-50.61
COC(=O)[C@]1(NC(=O)CCCC2=NN=N[N-]2)C[C@@H](OC)C1	REAL250004651421	1	39	-1.0	-51.96	331.30	1.37	-50.59
COCCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004651422	0	39	-1.0	-45.01	319.64	4.22	-40.79
COCCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004651422	1	39	-1.0	-45.07	319.70	4.23	-40.84
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C(F)F)=C1	REAL250004651423	0	35	-1.0	-49.42	313.25	4.41	-45.01
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C(F)F)=C1	REAL250004651423	1	35	-1.0	-49.42	313.31	4.43	-44.99
O=C(CCCC1=N[N-]N=N1)NC[C@H]1COCCO1	REAL250004651425	0	34	-1.0	-47.13	284.92	-0.25	-47.38
O=C(CCCC1=NN=N[N-]1)NC[C@H]1COCCO1	REAL250004651425	1	34	-1.0	-47.14	284.98	-0.23	-47.37
O=C(NC[C@H]1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651426	0	34	-1.0	-36.99	295.52	-0.45	-37.44
O=C(NC[C@H]1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651426	1	34	-1.0	-36.96	295.59	-0.45	-37.41
CC1=CC=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)C=C1	REAL250004651427	0	42	-1.0	-47.89	339.45	7.69	-40.20
CC1=CC=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)C=C1	REAL250004651427	1	42	-1.0	-47.94	339.51	7.70	-40.24
CN1N=CC=C1CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004651428	0	39	-1.0	-47.14	315.20	4.46	-42.68
CN1N=CC=C1CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004651428	1	39	-1.0	-47.17	315.26	4.47	-42.70
O=C(CCCC1=N[N-]N=N1)NC1=CN=CC2=C1CCC2	REAL250004651429	0	35	-1.0	-51.16	292.45	3.46	-47.70
O=C(CCCC1=NN=N[N-]1)NC1=CN=CC2=C1CCC2	REAL250004651429	1	35	-1.0	-51.21	292.51	3.48	-47.73
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL250004651430	0	37	-1.0	-51.08	316.44	5.49	-45.59
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL250004651430	1	37	-1.0	-51.09	316.38	5.48	-45.61
CCN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1COC[C@H]1O	REAL250004651431	0	37	-1.0	-46.87	295.03	-0.67	-47.54
CCN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1COC[C@H]1O	REAL250004651431	1	37	-1.0	-46.90	295.09	-0.66	-47.56
CC(C)CCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004651432	0	44	-1.0	-46.44	356.76	3.35	-43.09
CC(C)CCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004651432	1	44	-1.0	-46.49	356.82	3.37	-43.12
CCC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651433	0	44	-1.0	-46.81	333.22	4.85	-41.96
CCC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651433	1	44	-1.0	-46.77	333.28	4.86	-41.91
CCOC(OCC)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651434	0	42	-1.0	-49.96	342.76	2.18	-47.78
CCOC(OCC)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651434	1	42	-1.0	-49.94	342.82	2.19	-47.75
CCOC(OCC)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651435	0	42	-1.0	-49.90	342.32	2.15	-47.75
CCOC(OCC)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651435	1	42	-1.0	-49.93	342.38	2.17	-47.76
COCC(C)(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651436	0	39	-1.0	-46.81	317.19	0.19	-46.62
COCC(C)(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651436	1	39	-1.0	-46.82	317.25	0.21	-46.61
C[C@@H](C1=CC=CN=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651437	0	37	-1.0	-51.16	300.74	4.02	-47.14
C[C@@H](C1=CC=CN=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651437	1	37	-1.0	-51.15	300.68	4.01	-47.14
CN1C=CC([C@@H]2C[C@H]2NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651438	0	36	-1.0	-53.91	311.54	2.67	-51.24
CN1C=CC([C@@H]2C[C@H]2NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651438	1	36	-1.0	-53.94	311.60	2.68	-51.26
CC1(C)CC(=O)NC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651439	0	39	-1.0	-51.45	317.37	0.15	-51.30
CC1(C)CC(=O)NC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651439	1	39	-1.0	-51.43	317.42	0.16	-51.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2OCCC2C1	REAL250004651440	0	40	-1.0	-48.58	316.04	2.44	-46.14
O=C(CCCC1=NN=N[N-]1)NC1CCC2OCCC2C1	REAL250004651440	1	40	-1.0	-48.61	316.10	2.45	-46.16
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(CO)CCC2	REAL250004651441	0	40	-1.0	-48.21	306.19	2.28	-45.93
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(CO)CCC2	REAL250004651441	1	40	-1.0	-48.24	306.25	2.29	-45.95
CC1(C)SCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651442	0	39	-1.0	-48.16	318.48	3.87	-44.29
CC1(C)SCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651442	1	39	-1.0	-48.17	318.54	3.88	-44.29
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=NO2)C1	REAL250004651443	0	32	-1.0	-48.13	270.48	3.42	-44.71
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=NO2)C1	REAL250004651443	1	32	-1.0	-48.15	270.54	3.43	-44.72
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C=NO2)C1	REAL250004651444	0	32	-1.0	-36.85	277.77	3.64	-33.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C=NO2)C1	REAL250004651444	1	32	-1.0	-36.85	277.84	3.65	-33.20
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCO2)CC1	REAL250004651445	0	37	-1.0	-47.17	295.93	2.25	-44.92
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCO2)CC1	REAL250004651445	1	37	-1.0	-47.13	295.99	2.25	-44.88
CC1(C)[C@H](CNC(=O)CCCC2=N[N-]N=N2)C[C@@H]1O	REAL250004651446	0	39	-1.0	-49.07	314.80	0.18	-48.89
CC1(C)[C@H](CNC(=O)CCCC2=NN=N[N-]2)C[C@@H]1O	REAL250004651446	1	39	-1.0	-49.13	314.86	0.19	-48.94
O=C(CCCC1=N[N-]N=N1)NC1CCCSCC1	REAL250004651447	0	36	-1.0	-46.42	293.96	3.39	-43.03
O=C(CCCC1=NN=N[N-]1)NC1CCCSCC1	REAL250004651447	1	36	-1.0	-46.39	294.02	3.41	-42.98
CC(CC1(O)CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004651448	0	39	-1.0	-47.72	315.38	1.69	-46.03
CC(CC1(O)CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004651448	1	39	-1.0	-47.76	315.44	1.70	-46.06
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004651449	0	45	-1.0	-47.18	325.81	6.15	-41.03
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004651449	1	45	-1.0	-47.19	325.86	6.16	-41.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(=O)C1	REAL250004651450	0	31	-1.0	-39.72	267.22	2.96	-36.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(=O)C1	REAL250004651450	1	31	-1.0	-39.69	267.28	2.97	-36.72
O=C(N[C@@H]1C[C@H]1CF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651451	0	32	-1.0	-56.29	282.06	5.01	-51.28
O=C(N[C@@H]1C[C@H]1CF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651451	1	32	-1.0	-55.58	281.73	5.07	-50.51
O=C(N[C@@H]1C[C@H]1CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651452	0	29	-1.0	-37.46	267.90	1.93	-35.53
O=C(N[C@@H]1C[C@H]1CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651452	1	29	-1.0	-37.41	267.97	1.95	-35.46
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1C2	REAL250004651453	0	39	-1.0	-46.93	297.19	4.05	-42.88
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1C2	REAL250004651453	1	39	-1.0	-46.92	297.25	4.07	-42.85
O=C(NC1CCC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651454	0	39	-1.0	-35.29	304.62	4.32	-30.97
O=C(NC1CCC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651454	1	39	-1.0	-35.31	304.69	4.33	-30.98
O=C(CCCC1=N[N-]N=N1)NCC12CC(CCC1)C(=O)N2	REAL250004651455	0	40	-1.0	-50.83	317.63	0.90	-49.93
O=C(CCCC1=NN=N[N-]1)NCC12CC(CCC1)C(=O)N2	REAL250004651455	1	40	-1.0	-50.87	317.69	0.91	-49.96
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=NC=C2C=C1	REAL250004651456	0	34	-1.0	-48.79	294.02	3.87	-44.92
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=NC=C2C=C1	REAL250004651456	1	34	-1.0	-48.81	294.07	3.88	-44.93
CN(CCNC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004651457	0	39	-1.0	-50.63	327.09	3.63	-47.00
CN(CCNC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004651457	1	39	-1.0	-50.69	327.15	3.65	-47.04
O=C(CCCC1=NN=N[N-]1)NCC1=CSN=C1	REAL250004651458	0	28	-1.0	-46.45	263.65	1.13	-45.32
O=C(CCCC1=N[N-]N=N1)NCC1=CSN=C1	REAL250004651458	1	28	-1.0	-46.40	263.59	1.11	-45.29
O=C(NCC1=CSN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651459	0	28	-1.0	-36.55	274.18	0.91	-35.64
O=C(NCC1=CSN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651459	1	28	-1.0	-36.50	274.25	0.91	-35.59
CC1(C2CN(C(=O)CCCC3=N[N-]N=N3)CCO2)N=N1	REAL250004651460	0	36	-1.0	-49.32	300.78	-2.23	-51.55
CC1(C2CN(C(=O)CCCC3=NN=N[N-]3)CCO2)N=N1	REAL250004651460	1	36	-1.0	-49.36	300.83	-2.22	-51.58
O=C(CCCC1=N[N-]N=N1)NC1(C2=NC=CN2)CC1	REAL250004651461	0	33	-1.0	-52.99	289.50	1.48	-51.51
O=C(CCCC1=NN=N[N-]1)NC1(C2=NC=CN2)CC1	REAL250004651461	1	33	-1.0	-52.97	289.55	1.49	-51.48
O=C(NC1(C2=NC=CN2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651462	0	33	-1.0	-37.52	300.25	1.44	-36.08
O=C(NC1(C2=NC=CN2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651462	1	33	-1.0	-37.47	300.31	1.44	-36.03
O=C(CCCC1=N[N-]N=N1)NCC1=CN2C=NC=C2C=C1	REAL250004651463	0	35	-1.0	-49.14	305.53	4.87	-44.27
O=C(CCCC1=NN=N[N-]1)NCC1=CN2C=NC=C2C=C1	REAL250004651463	1	35	-1.0	-49.15	305.58	4.89	-44.26
CC1=NC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CO1	REAL250004651464	0	34	-1.0	-55.74	294.32	0.93	-54.81
CC1=NC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CO1	REAL250004651464	1	34	-1.0	-55.72	294.37	0.95	-54.77
CC1=NC(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004651465	0	34	-1.0	-42.68	302.27	1.35	-41.33
CC1=NC(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004651465	1	34	-1.0	-42.69	302.34	1.36	-41.33
NC(=O)[C@]1(NC(=O)CCCC2=N[N-]N=N2)C[C@@H](O)C1	REAL250004651466	0	34	-1.0	-55.38	290.65	-4.72	-60.10
NC(=O)[C@]1(NC(=O)CCCC2=NN=N[N-]2)C[C@@H](O)C1	REAL250004651466	1	34	-1.0	-55.37	290.71	-4.71	-60.08
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC1(C2)N=N1	REAL250004651467	0	36	-1.0	-46.44	293.31	-0.79	-47.23
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC1(C2)N=N1	REAL250004651467	1	36	-1.0	-46.44	293.37	-0.77	-47.21
O=C(CCCC1=NN=N[N-]1)NCC(O)CN1C=CC=N1	REAL250004651468	0	36	-1.0	-50.66	313.89	-1.06	-51.72
O=C(CCCC1=N[N-]N=N1)NCC(O)CN1C=CC=N1	REAL250004651468	1	36	-1.0	-50.69	313.83	-1.08	-51.77
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCC1CO	REAL250004651469	0	40	-1.0	-51.12	323.01	-3.03	-54.15
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCC1CO	REAL250004651469	1	40	-1.0	-51.08	323.07	-3.01	-54.09
CC(C)CNC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651470	0	41	-1.0	-56.52	340.65	1.10	-55.42
CC(C)CNC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651470	1	41	-1.0	-56.55	340.70	1.12	-55.43
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2(F)F)C1	REAL250004651471	0	36	-1.0	-47.52	313.37	4.10	-43.42
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2(F)F)C1	REAL250004651471	1	36	-1.0	-47.53	313.43	4.11	-43.42
COC(=O)C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004651472	0	39	-1.0	-49.25	333.04	3.79	-45.46
COC(=O)C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004651472	1	39	-1.0	-49.28	333.10	3.81	-45.47
CC1=COC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651473	0	35	-1.0	-46.78	300.67	2.82	-43.96
CC1=COC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651473	1	35	-1.0	-46.79	300.72	2.84	-43.95
CC1=COC(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651474	0	35	-1.0	-36.42	311.26	2.62	-33.80
CC1=COC(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651474	1	35	-1.0	-36.36	311.33	2.62	-33.74
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C2SC=CN12	REAL250004651475	0	32	-1.0	-49.21	296.53	3.15	-46.06
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C2SC=CN12	REAL250004651475	1	32	-1.0	-49.21	296.48	3.14	-46.07
O=C(CCCC1=N[N-]N=N1)NCCCC(=O)NC1CCC1	REAL250004651476	0	42	-1.0	-50.52	348.65	1.82	-48.70
O=C(CCCC1=NN=N[N-]1)NCCCC(=O)NC1CCC1	REAL250004651476	1	42	-1.0	-50.52	348.71	1.83	-48.69
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=C(F)C=N1	REAL250004651477	0	36	-1.0	-50.11	315.49	1.58	-48.53
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=C(F)C=N1	REAL250004651477	1	36	-1.0	-50.10	315.43	1.56	-48.54
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004651479	0	34	-1.0	-46.40	289.63	2.20	-44.20
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004651479	1	34	-1.0	-46.37	289.57	2.19	-44.18
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004651480	0	34	-1.0	-37.74	300.23	2.01	-35.73
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004651480	1	34	-1.0	-37.73	300.16	1.98	-35.75
CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004651481	0	31	-1.0	-46.50	270.78	1.67	-44.83
CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004651481	1	31	-1.0	-46.48	270.72	1.66	-44.82
CCN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=N1	REAL250004651482	0	34	-1.0	-49.44	295.08	4.57	-44.87
CCN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=N1	REAL250004651482	1	34	-1.0	-49.25	295.18	4.60	-44.65
CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004651483	0	31	-1.0	-38.06	281.36	1.48	-36.58
CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004651483	1	31	-1.0	-38.08	281.30	1.45	-36.63
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C	REAL250004651484	0	40	-1.0	-53.00	314.67	6.17	-46.83
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C	REAL250004651484	1	40	-1.0	-52.80	314.78	6.19	-46.61
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004651485	0	37	-1.0	-35.13	300.89	3.06	-32.07
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004651485	1	37	-1.0	-35.09	300.96	3.07	-32.02
CN(C)S(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004651486	0	32	-1.0	-54.95	282.54	-0.33	-55.28
CN(C)S(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004651486	1	32	-1.0	-54.95	282.60	-0.31	-55.26
CN(C)S(C)(=O)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651487	0	32	-1.0	-47.57	294.31	-0.63	-48.20
CN(C)S(C)(=O)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651487	1	32	-1.0	-47.61	294.35	-0.63	-48.24
O=C(CCCC1=N[N-]N=N1)NCCN1N=CC=CC1=O	REAL250004651488	0	34	-1.0	-57.13	299.52	0.88	-56.25
O=C(CCCC1=NN=N[N-]1)NCCN1N=CC=CC1=O	REAL250004651488	1	34	-1.0	-57.13	299.58	0.90	-56.23
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)CCO2	REAL250004651489	0	37	-1.0	-46.69	298.42	1.86	-44.83
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)CCO2	REAL250004651489	1	37	-1.0	-46.73	298.48	1.88	-44.85
O=C(CCCC1=N[N-]N=N1)N1CC(O)C(F)(F)C1	REAL250004651490	0	30	-1.0	-47.54	266.94	-0.29	-47.83
O=C(CCCC1=NN=N[N-]1)N1CC(O)C(F)(F)C1	REAL250004651490	1	30	-1.0	-47.49	266.99	-0.28	-47.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)C(F)(F)C1	REAL250004651491	0	30	-1.0	-38.11	273.33	-0.06	-38.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)C(F)(F)C1	REAL250004651491	1	30	-1.0	-38.03	273.40	-0.05	-38.08
CC(C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651492	0	40	-1.0	-53.57	323.70	6.47	-47.10
CC(C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651492	1	40	-1.0	-53.36	323.79	6.47	-46.89
CC(C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651493	0	37	-1.0	-35.42	309.72	3.33	-32.09
CC(C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651493	1	37	-1.0	-35.38	309.79	3.35	-32.03
CS(=O)(CCO)=NC(=O)CCCC1=N[N-]N=N1	REAL250004651494	0	31	-1.0	-60.54	278.75	-2.92	-63.46
CS(=O)(CCO)=NC(=O)CCCC1=NN=N[N-]1	REAL250004651494	1	31	-1.0	-60.59	278.81	-2.90	-63.49
CS(=O)(CCO)=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651495	0	31	-1.0	-53.28	290.39	-3.22	-56.50
CS(=O)(CCO)=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651495	1	31	-1.0	-53.27	290.44	-3.24	-56.51
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004651496	0	38	-1.0	-46.32	317.50	4.68	-41.64
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004651496	1	38	-1.0	-46.32	317.56	4.70	-41.62
CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1C2	REAL250004651497	0	40	-1.0	-46.77	320.77	2.39	-44.38
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1C2	REAL250004651497	1	40	-1.0	-46.77	320.83	2.41	-44.36
O=C(CCCC1=N[N-]N=N1)N1CCN2N=CC(Cl)=C2C1	REAL250004651498	0	33	-1.0	-46.83	293.63	3.25	-43.58
O=C(CCCC1=NN=N[N-]1)N1CCN2N=CC(Cl)=C2C1	REAL250004651498	1	33	-1.0	-46.82	293.69	3.26	-43.56
COC(=O)C1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651499	0	41	-1.0	-47.39	327.73	5.06	-42.33
COC(=O)C1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651499	1	41	-1.0	-47.38	327.79	5.08	-42.30
COCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651500	0	37	-1.0	-49.40	307.51	-0.20	-49.60
COCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651500	1	37	-1.0	-49.45	307.56	-0.18	-49.63
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004651501	0	33	-1.0	-46.92	284.45	0.37	-46.55
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004651501	1	33	-1.0	-46.95	284.51	0.40	-46.55
CCC1=NNC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651502	0	35	-1.0	-51.74	298.83	4.05	-47.69
CCC1=NNC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651502	1	35	-1.0	-51.58	298.92	4.07	-47.51
CCC1=NNC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651503	0	32	-1.0	-35.66	285.03	0.94	-34.72
CCC1=NNC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651503	1	32	-1.0	-35.65	285.10	0.95	-34.70
CCC[C@@H]1C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651504	0	38	-1.0	-46.20	314.99	4.25	-41.95
CCC[C@@H]1C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651504	1	38	-1.0	-46.22	315.05	4.27	-41.95
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651505	0	38	-1.0	-34.63	325.60	4.05	-30.58
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651505	1	38	-1.0	-34.59	325.66	4.05	-30.54
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCCCC2C1	REAL250004651506	0	45	-1.0	-47.38	333.14	6.50	-40.88
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCCCC2C1	REAL250004651506	1	45	-1.0	-47.38	333.19	6.51	-40.87
CN(CC1CC(F)(F)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004651507	0	35	-1.0	-48.47	296.95	4.81	-43.66
CN(CC1CC(F)(F)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004651507	1	35	-1.0	-48.51	297.01	4.83	-43.68
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C2(COC2)C1	REAL250004651508	0	38	-1.0	-49.33	306.97	-0.93	-50.26
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C2(COC2)C1	REAL250004651508	1	38	-1.0	-49.29	307.02	-0.92	-50.21
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(=O)NC2C1	REAL250004651509	0	37	-1.0	-50.86	302.02	1.11	-49.75
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(=O)NC2C1	REAL250004651509	1	37	-1.0	-50.87	302.08	1.12	-49.75
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004651510	0	33	-1.0	-50.73	287.56	3.92	-46.81
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004651510	1	33	-1.0	-50.72	287.62	3.93	-46.79
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL250004651511	0	40	-1.0	-60.58	308.62	1.90	-58.68
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL250004651511	1	40	-1.0	-60.60	308.68	1.92	-58.68
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1C[C@@H](F)C1	REAL250004651512	0	35	-1.0	-49.25	295.46	3.39	-45.86
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1C[C@@H](F)C1	REAL250004651512	1	35	-1.0	-49.28	295.52	3.41	-45.87
O=C(NCC[C@@H]1C[C@@H](F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651513	0	35	-1.0	-36.64	306.05	3.20	-33.44
O=C(NCC[C@@H]1C[C@@H](F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651513	1	35	-1.0	-36.60	306.12	3.20	-33.40
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](CO)[C@H](C2CC2)C1	REAL250004651514	0	40	-1.0	-47.00	321.64	2.09	-44.91
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](CO)[C@H](C2CC2)C1	REAL250004651514	1	40	-1.0	-47.03	321.70	2.10	-44.93
O=C(CCCC1=N[N-]N=N1)NC[C@]12CCC[C@H]1CCO2	REAL250004651515	0	40	-1.0	-46.46	316.34	2.72	-43.74
O=C(CCCC1=NN=N[N-]1)NC[C@]12CCC[C@H]1CCO2	REAL250004651515	1	40	-1.0	-46.49	316.40	2.74	-43.75
COC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004651516	0	40	-1.0	-49.36	319.20	2.74	-46.62
COC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004651516	1	40	-1.0	-49.35	319.26	2.75	-46.60
O=C(CCCC1=N[N-]N=N1)N1CCC2OC(=O)OC2C1	REAL250004651517	0	34	-1.0	-52.16	284.07	2.95	-49.21
O=C(CCCC1=NN=N[N-]1)N1CCC2OC(=O)OC2C1	REAL250004651517	1	34	-1.0	-52.19	284.12	2.97	-49.22
O=C(CCCC1=N[N-]N=N1)N1CCOCC(C2CC2)C1	REAL250004651518	0	40	-1.0	-49.97	314.71	4.28	-45.69
O=C(CCCC1=NN=N[N-]1)N1CCOCC(C2CC2)C1	REAL250004651518	1	40	-1.0	-50.01	314.77	4.29	-45.72
O=C(CCCC1=N[N-]N=N1)NC12CCOC1CCCCC2	REAL250004651519	0	43	-1.0	-45.27	319.25	3.25	-42.02
O=C(CCCC1=NN=N[N-]1)NC12CCOC1CCCCC2	REAL250004651519	1	43	-1.0	-45.29	319.31	3.27	-42.02
CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651520	0	41	-1.0	-46.67	317.39	5.63	-41.04
CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651520	1	41	-1.0	-46.64	317.45	5.65	-40.99
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCOC1	REAL250004651521	0	37	-1.0	-47.66	299.40	-1.31	-48.97
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCOC1	REAL250004651521	1	37	-1.0	-47.68	299.46	-1.29	-48.97
COC(=O)C(C)(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004651522	0	40	-1.0	-51.57	318.36	3.42	-48.15
COC(=O)C(C)(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004651522	1	40	-1.0	-51.62	318.42	3.43	-48.19
O=C(CCCC1=N[N-]N=N1)NCC1=NSC=C1	REAL250004651524	0	28	-1.0	-47.34	263.67	1.03	-46.31
O=C(CCCC1=NN=N[N-]1)NCC1=NSC=C1	REAL250004651524	1	28	-1.0	-47.36	263.72	1.04	-46.32
O=C(NCC1=NSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651525	0	28	-1.0	-37.32	274.26	0.82	-36.50
O=C(NCC1=NSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651525	1	28	-1.0	-37.23	274.32	0.82	-36.41
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC1CC1	REAL250004651526	0	41	-1.0	-46.02	323.77	4.75	-41.27
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC1CC1	REAL250004651526	1	41	-1.0	-46.00	323.83	4.77	-41.23
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2=CON=C2C1	REAL250004651527	0	32	-1.0	-52.59	275.06	4.71	-47.88
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2=CON=C2C1	REAL250004651527	1	32	-1.0	-52.42	275.15	4.72	-47.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CON=C2C1	REAL250004651528	0	29	-1.0	-38.68	263.09	2.50	-36.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CON=C2C1	REAL250004651528	1	29	-1.0	-38.67	263.16	2.50	-36.17
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H](O)CCO1	REAL250004651529	0	37	-1.0	-49.61	305.44	-1.80	-51.41
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H](O)CCO1	REAL250004651529	1	37	-1.0	-49.65	305.50	-1.79	-51.44
COC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651530	0	36	-1.0	-56.00	301.85	5.40	-50.60
COC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651530	1	36	-1.0	-55.99	301.91	5.41	-50.58
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004651531	0	38	-1.0	-52.91	318.97	3.78	-49.13
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004651531	1	38	-1.0	-52.97	319.03	3.80	-49.17
COC(=O)C[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651532	0	43	-1.0	-52.24	342.78	4.23	-48.01
COC(=O)C[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651532	1	43	-1.0	-52.26	342.83	4.25	-48.01
CC1=CC=NC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651533	0	36	-1.0	-52.31	312.24	2.05	-50.26
CC1=CC=NC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651533	1	36	-1.0	-52.32	312.29	2.06	-50.26
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@@H]2CC[C@@H]21	REAL250004651534	0	39	-1.0	-53.23	299.18	7.04	-46.19
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@@H]2CC[C@@H]21	REAL250004651534	1	39	-1.0	-53.50	299.36	7.11	-46.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]2CC[C@@H]21	REAL250004651535	0	36	-1.0	-35.40	288.04	5.13	-30.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]2CC[C@@H]21	REAL250004651535	1	36	-1.0	-35.34	288.11	5.12	-30.22
COC(=O)C[C@@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651536	0	43	-1.0	-52.24	342.77	4.23	-48.01
COC(=O)C[C@@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651536	1	43	-1.0	-52.24	342.83	4.25	-47.99
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C(F)(F)F	REAL250004651537	0	35	-1.0	-46.89	301.88	3.75	-43.14
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C(F)(F)F	REAL250004651537	1	35	-1.0	-46.89	301.94	3.76	-43.13
CCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004651538	0	31	-1.0	-47.12	275.50	2.56	-44.56
CCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004651538	1	31	-1.0	-47.15	275.55	2.57	-44.58
O=C(CCCC1=N[N-]N=N1)NCC1C2CCCCC12	REAL250004651539	0	39	-1.0	-46.11	310.98	4.46	-41.65
O=C(CCCC1=NN=N[N-]1)NCC1C2CCCCC12	REAL250004651539	1	39	-1.0	-46.11	311.04	4.47	-41.64
O=C(NCC1C2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651540	0	39	-1.0	-34.76	321.73	4.24	-30.52
O=C(NCC1C2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651540	1	39	-1.0	-34.71	321.80	4.25	-30.46
CC1CC(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651541	0	39	-1.0	-50.71	313.70	0.83	-49.88
CC1CC(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651541	1	39	-1.0	-50.76	313.76	0.84	-49.92
O=C(CCCC1=N[N-]N=N1)N1C[C@H](F)C[C@H]1C(F)(F)F	REAL250004651542	0	32	-1.0	-50.95	282.06	4.04	-46.91
O=C(CCCC1=NN=N[N-]1)N1C[C@H](F)C[C@H]1C(F)(F)F	REAL250004651542	1	32	-1.0	-50.95	282.12	4.06	-46.89
O=C(CCCC1=N[N-]N=N1)NCC1=CN(C2COC2)N=N1	REAL250004651543	0	36	-1.0	-51.47	311.89	-0.94	-52.41
O=C(CCCC1=NN=N[N-]1)NCC1=CN(C2COC2)N=N1	REAL250004651543	1	36	-1.0	-51.48	311.95	-0.92	-52.40
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004651544	0	31	-1.0	-47.12	275.50	2.56	-44.56
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004651544	1	31	-1.0	-47.13	275.55	2.57	-44.56
O=C(CCCC1=N[N-]N=N1)NC1CCOCCC1(F)F	REAL250004651545	0	36	-1.0	-46.49	293.40	1.71	-44.78
O=C(CCCC1=NN=N[N-]1)NC1CCOCCC1(F)F	REAL250004651545	1	36	-1.0	-46.53	293.46	1.72	-44.81
O=C(CCCC1=N[N-]N=N1)NC1CCCCCC1(F)F	REAL250004651546	0	38	-1.0	-47.76	298.52	3.61	-44.15
O=C(CCCC1=NN=N[N-]1)NC1CCCCCC1(F)F	REAL250004651546	1	38	-1.0	-47.77	298.58	3.62	-44.15
CCCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651547	0	35	-1.0	-48.78	297.72	5.25	-43.53
CCCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651547	1	35	-1.0	-48.78	297.66	5.23	-43.55
CCCN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004651548	0	35	-1.0	-39.30	308.30	5.05	-34.25
CCCN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004651548	1	35	-1.0	-39.39	308.23	5.02	-34.37
CC(O)C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004651549	0	40	-1.0	-52.24	310.41	3.33	-48.91
CC(O)C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004651549	1	40	-1.0	-52.25	310.47	3.34	-48.91
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](F)C[C@@H]1C(F)(F)F	REAL250004651550	0	32	-1.0	-50.95	282.05	4.05	-46.90
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](F)C[C@@H]1C(F)(F)F	REAL250004651550	1	32	-1.0	-50.93	282.11	4.07	-46.86
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)C2	REAL250004651551	0	34	-1.0	-54.18	289.15	0.18	-54.00
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)C2	REAL250004651551	1	34	-1.0	-54.21	289.20	0.19	-54.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CNC(=O)C2	REAL250004651552	0	34	-1.0	-44.79	297.47	0.07	-44.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CNC(=O)C2	REAL250004651552	1	34	-1.0	-44.71	297.54	0.09	-44.62
CSC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651553	0	33	-1.0	-54.78	291.58	5.71	-49.07
CSC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651553	1	33	-1.0	-54.00	292.26	5.67	-48.33
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651554	0	30	-1.0	-35.88	279.35	3.23	-32.65
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651554	1	30	-1.0	-35.87	279.42	3.24	-32.63
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCC2)CC1	REAL250004651555	0	42	-1.0	-47.03	325.35	4.80	-42.23
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCC2)CC1	REAL250004651555	1	42	-1.0	-47.00	325.41	4.82	-42.18
CC12CCC(CC1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651556	0	39	-1.0	-55.52	308.11	7.35	-48.17
CC12CCC(CC1)N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651556	1	39	-1.0	-54.32	307.97	7.31	-47.01
CC12CCC(CC1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651557	0	36	-1.0	-37.53	291.69	4.94	-32.59
CC12CCC(CC1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651557	1	36	-1.0	-37.46	291.76	4.95	-32.51
C[C@@H](O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651558	0	37	-1.0	-48.74	298.87	-0.21	-48.95
C[C@@H](O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651558	1	37	-1.0	-48.76	298.93	-0.19	-48.95
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1F	REAL250004651559	0	35	-1.0	-49.93	282.44	4.26	-45.67
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1F	REAL250004651559	1	35	-1.0	-49.94	282.50	4.28	-45.66
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1F	REAL250004651560	0	35	-1.0	-37.66	290.12	4.51	-33.15
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1F	REAL250004651560	1	35	-1.0	-37.67	290.19	4.51	-33.16
NC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651561	0	33	-1.0	-48.64	289.22	0.37	-48.27
NC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651561	1	33	-1.0	-48.65	289.28	0.39	-48.26
NC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004651562	0	33	-1.0	-38.36	299.81	0.17	-38.19
NC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004651562	1	33	-1.0	-38.33	299.88	0.17	-38.16
CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C(N)=O)=N1	REAL250004651564	0	36	-1.0	-47.52	311.47	-1.03	-48.55
CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C(N)=O)=N1	REAL250004651564	1	36	-1.0	-47.44	311.41	-1.05	-48.49
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=NC=C2C=C1	REAL250004651565	0	37	-1.0	-48.98	311.15	4.78	-44.20
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=NC=C2C=C1	REAL250004651565	1	37	-1.0	-49.01	311.20	4.80	-44.21
COC(=O)C1=CN(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651566	0	35	-1.0	-55.27	311.29	3.11	-52.16
COC(=O)C1=CN(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651566	1	35	-1.0	-55.27	311.23	3.09	-52.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCCC1	REAL250004651567	0	39	-1.0	-49.25	318.38	4.99	-44.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCCC1	REAL250004651567	1	39	-1.0	-49.27	318.33	4.97	-44.30
C[C@H](O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651568	0	37	-1.0	-48.73	298.93	-0.17	-48.90
C[C@H](O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651568	1	37	-1.0	-48.72	298.99	-0.16	-48.88
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCOC1	REAL250004651569	0	39	-1.0	-46.22	305.01	2.13	-44.09
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCOC1	REAL250004651569	1	39	-1.0	-46.19	305.07	2.14	-44.05
O=C(CCCC1=N[N-]N=N1)NCCCOCC(F)F	REAL250004651570	0	35	-1.0	-50.15	309.21	1.58	-48.57
O=C(CCCC1=NN=N[N-]1)NCCCOCC(F)F	REAL250004651570	1	35	-1.0	-50.14	309.27	1.59	-48.55
C#CCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651571	0	36	-1.0	-53.61	301.20	5.76	-47.85
C#CCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651571	1	36	-1.0	-53.40	301.26	5.78	-47.62
C#CCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651572	0	33	-1.0	-35.71	287.04	2.66	-33.05
C#CCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651572	1	33	-1.0	-35.65	287.11	2.67	-32.98
O=C(CCCC1=N[N-]N=N1)NCC1CC(F)(F)CO1	REAL250004651573	0	33	-1.0	-46.89	289.39	0.95	-45.94
O=C(CCCC1=NN=N[N-]1)NCC1CC(F)(F)CO1	REAL250004651573	1	33	-1.0	-46.92	289.45	0.96	-45.96
O=C(CCCC1=N[N-]N=N1)NC1CCN(CCF)C1=O	REAL250004651574	0	36	-1.0	-60.80	311.06	1.70	-59.10
O=C(CCCC1=NN=N[N-]1)NC1CCN(CCF)C1=O	REAL250004651574	1	36	-1.0	-60.82	311.12	1.72	-59.10
CN(OC1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004651575	0	36	-1.0	-43.08	295.69	4.46	-38.62
CN(OC1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004651575	1	36	-1.0	-43.06	295.75	4.48	-38.58
CN(OC1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651576	0	36	-1.0	-35.92	303.90	4.85	-31.07
CN(OC1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651576	1	36	-1.0	-35.91	303.96	4.85	-31.06
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCC(=O)N2)CC1	REAL250004651577	0	40	-1.0	-52.07	315.43	2.21	-49.86
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCC(=O)N2)CC1	REAL250004651577	1	40	-1.0	-52.11	315.49	2.22	-49.89
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)F)CC1	REAL250004651578	0	38	-1.0	-48.96	306.43	5.09	-43.87
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)F)CC1	REAL250004651578	1	38	-1.0	-48.97	306.49	5.11	-43.86
C#CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651579	0	34	-1.0	-56.77	297.39	5.89	-50.88
C#CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651579	1	34	-1.0	-56.60	297.46	5.91	-50.69
C#CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651580	0	31	-1.0	-37.00	283.24	2.79	-34.21
C#CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651580	1	31	-1.0	-36.96	283.31	2.81	-34.15
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H]2CCCC[C@H]2C1	REAL250004651581	0	42	-1.0	-46.66	323.44	4.97	-41.69
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H]2CCCC[C@H]2C1	REAL250004651581	1	42	-1.0	-46.66	323.50	4.98	-41.68
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL250004651582	0	39	-1.0	-47.01	316.38	1.91	-45.10
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL250004651582	1	39	-1.0	-47.04	316.44	1.92	-45.12
CCC(CO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651583	0	38	-1.0	-52.20	311.02	2.63	-49.57
CCC(CO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651583	1	38	-1.0	-51.94	310.99	2.67	-49.27
CCC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651584	0	35	-1.0	-35.91	298.92	-0.85	-36.76
CCC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651584	1	35	-1.0	-35.91	298.98	-0.85	-36.76
CC1CCC(C#N)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651585	0	39	-1.0	-54.30	313.00	3.49	-50.81
CC1CCC(C#N)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651585	1	39	-1.0	-54.35	313.06	3.51	-50.84
C=CCC1(NC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004651586	0	37	-1.0	-47.34	302.58	4.33	-43.01
C=CCC1(NC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004651586	1	37	-1.0	-47.37	302.63	4.34	-43.03
C=CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CC1	REAL250004651587	0	37	-1.0	-35.86	313.15	4.10	-31.76
C=CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CC1	REAL250004651587	1	37	-1.0	-35.87	313.22	4.11	-31.76
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCCCC2C1	REAL250004651588	0	45	-1.0	-46.48	340.44	5.53	-40.95
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCCCC2C1	REAL250004651588	1	45	-1.0	-46.47	340.50	5.55	-40.92
CCCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651589	0	38	-1.0	-49.76	324.99	2.79	-46.97
CCCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651589	1	38	-1.0	-49.77	325.05	2.81	-46.96
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC(C2CC2)=N1	REAL250004651590	0	39	-1.0	-54.92	333.30	3.54	-51.38
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC(C2CC2)=N1	REAL250004651590	1	39	-1.0	-54.98	333.35	3.55	-51.43
COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651591	0	39	-1.0	-53.50	317.91	4.79	-48.71
COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651591	1	39	-1.0	-53.56	317.97	4.81	-48.75
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2COC[C@H]2O1	REAL250004651592	0	32	-1.0	-46.80	268.80	1.14	-45.66
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2COC[C@H]2O1	REAL250004651592	1	32	-1.0	-46.80	268.86	1.16	-45.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2COC[C@H]2O1	REAL250004651593	0	32	-1.0	-38.20	277.56	1.02	-37.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2COC[C@H]2O1	REAL250004651593	1	32	-1.0	-38.20	277.63	1.03	-37.17
CCN1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004651594	0	39	-1.0	-51.95	326.77	2.02	-49.93
CCN1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004651594	1	39	-1.0	-51.99	326.83	2.04	-49.95
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=CS1	REAL250004651595	0	36	-1.0	-47.48	320.94	1.05	-46.43
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=CS1	REAL250004651595	1	36	-1.0	-47.44	321.00	1.07	-46.37
C=C1[C@@H]2C[C@H](CC1NC(=O)CCCC1=N[N-]N=N1)C2(C)C	REAL250004651596	0	43	-1.0	-46.96	328.60	4.89	-42.07
C=C1[C@@H]2C[C@H](CC1NC(=O)CCCC1=NN=N[N-]1)C2(C)C	REAL250004651596	1	43	-1.0	-46.94	328.66	4.90	-42.04
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1O	REAL250004651597	0	36	-1.0	-47.38	286.63	1.06	-46.32
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1O	REAL250004651597	1	36	-1.0	-47.39	286.69	1.07	-46.32
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1O	REAL250004651598	0	36	-1.0	-36.76	294.24	1.31	-35.45
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1O	REAL250004651598	1	36	-1.0	-36.75	294.30	1.31	-35.44
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CCCC2)C1	REAL250004651599	0	43	-1.0	-47.33	328.11	2.61	-44.72
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CCCC2)C1	REAL250004651599	1	43	-1.0	-47.34	328.16	2.62	-44.72
O=C(CCCC1=N[N-]N=N1)N1CC(C2CC2(F)F)C1	REAL250004651600	0	33	-1.0	-51.76	291.78	4.35	-47.41
O=C(CCCC1=NN=N[N-]1)N1CC(C2CC2(F)F)C1	REAL250004651600	1	33	-1.0	-51.79	291.84	4.37	-47.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCC2	REAL250004651601	0	42	-1.0	-47.35	320.30	5.70	-41.65
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCC2	REAL250004651601	1	42	-1.0	-47.34	320.35	5.72	-41.62
CCCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004651602	0	34	-1.0	-52.44	304.33	3.98	-48.46
CCCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004651602	1	34	-1.0	-52.47	304.38	4.01	-48.46
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	REAL250004651603	0	35	-1.0	-51.24	286.99	-1.11	-52.35
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	REAL250004651603	1	35	-1.0	-51.27	287.04	-1.10	-52.37
CC1(NC(=O)CCCC2=N[N-]N=N2)CCC(O)CC1	REAL250004651604	0	39	-1.0	-47.05	299.88	0.87	-46.18
CC1(NC(=O)CCCC2=NN=N[N-]2)CCC(O)CC1	REAL250004651604	1	39	-1.0	-47.09	299.94	0.89	-46.20
C=C(CNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004651605	0	40	-1.0	-48.15	321.49	2.76	-45.39
C=C(CNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004651605	1	40	-1.0	-48.16	321.54	2.78	-45.38
CCCC1CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651606	0	38	-1.0	-56.53	305.12	6.81	-49.72
CCCC1CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651606	1	38	-1.0	-56.34	305.22	6.81	-49.53
CCCC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651607	0	35	-1.0	-37.31	292.22	4.16	-33.15
CCCC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651607	1	35	-1.0	-37.30	292.29	4.17	-33.13
CCC1(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651608	0	38	-1.0	-49.44	301.90	4.59	-44.85
CCC1(CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651608	1	38	-1.0	-49.48	301.96	4.60	-44.88
CCC1(CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651609	0	38	-1.0	-38.30	306.33	5.08	-33.22
CCC1(CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651609	1	38	-1.0	-38.30	306.39	5.08	-33.22
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004651610	0	30	-1.0	-48.01	281.08	2.16	-45.85
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004651610	1	30	-1.0	-48.05	281.14	2.18	-45.87
N#CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004651611	0	30	-1.0	-38.22	291.68	1.95	-36.27
N#CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004651611	1	30	-1.0	-38.18	291.74	1.96	-36.22
CC(C)C1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651612	0	45	-1.0	-47.11	332.98	2.25	-44.86
CC(C)C1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651612	1	45	-1.0	-47.12	333.04	2.27	-44.85
CC1=COC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651613	0	38	-1.0	-53.91	318.18	2.06	-51.85
CC1=COC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651613	1	38	-1.0	-53.90	318.24	2.07	-51.83
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1CCC1	REAL250004651614	0	39	-1.0	-49.06	314.93	5.54	-43.52
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1CCC1	REAL250004651614	1	39	-1.0	-49.05	314.99	5.55	-43.50
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1CC1CCC1	REAL250004651615	0	39	-1.0	-37.97	323.11	5.48	-32.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1CC1CCC1	REAL250004651615	1	39	-1.0	-37.93	323.18	5.49	-32.44
COC(=O)C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651616	0	38	-1.0	-47.60	320.18	4.28	-43.32
COC(=O)C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651616	1	38	-1.0	-47.63	320.24	4.29	-43.34
CC(=O)N1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651617	0	36	-1.0	-53.68	308.19	1.10	-52.58
CC(=O)N1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651617	1	36	-1.0	-53.71	308.25	1.11	-52.60
CC1=C(Cl)C=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651619	0	35	-1.0	-45.64	310.27	4.71	-40.93
CC1=C(Cl)C=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651619	1	35	-1.0	-45.67	310.33	4.72	-40.95
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C1CCC1	REAL250004651620	0	41	-1.0	-47.30	315.16	5.78	-41.52
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C1CCC1	REAL250004651620	1	41	-1.0	-47.32	315.22	5.79	-41.53
O=C(CCCC1=N[N-]N=N1)N1CCC(Cl)=C(Cl)C1	REAL250004651621	0	30	-1.0	-45.13	280.05	4.50	-40.63
O=C(CCCC1=NN=N[N-]1)N1CCC(Cl)=C(Cl)C1	REAL250004651621	1	30	-1.0	-45.11	280.11	4.51	-40.60
COCC1(NC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004651622	0	37	-1.0	-46.31	302.80	2.03	-44.28
COCC1(NC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004651622	1	37	-1.0	-46.35	302.85	2.05	-44.30
CCN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004651623	0	37	-1.0	-47.44	311.33	4.74	-42.70
CCN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004651623	1	37	-1.0	-47.43	311.27	4.73	-42.70
O=C(N[C@@H]1C[C@@H]1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651624	0	29	-1.0	-51.20	259.73	4.38	-46.82
O=C(N[C@@H]1C[C@@H]1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651624	1	29	-1.0	-51.17	260.20	4.37	-46.80
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(Cl)=C1F	REAL250004651625	0	31	-1.0	-48.56	296.07	2.16	-46.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(Cl)=C1F	REAL250004651625	1	31	-1.0	-48.55	296.13	2.18	-46.37
C#CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004651626	0	40	-1.0	-48.56	346.43	6.77	-41.79
C#CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004651626	1	40	-1.0	-48.57	346.48	6.79	-41.78
C#CC1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651627	0	37	-1.0	-52.72	313.75	6.59	-46.13
C#CC1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651627	1	37	-1.0	-52.54	313.85	6.59	-45.95
C#CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651628	0	34	-1.0	-35.94	300.36	3.55	-32.39
C#CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651628	1	34	-1.0	-35.88	300.43	3.55	-32.33
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCSC2)C1	REAL250004651629	0	37	-1.0	-49.34	303.04	4.72	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCSC2)C1	REAL250004651629	1	37	-1.0	-49.33	303.10	4.73	-44.60
CC[C@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651630	0	37	-1.0	-52.97	307.88	2.97	-50.00
CC[C@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651630	1	37	-1.0	-52.99	307.93	2.99	-50.00
COC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651631	0	41	-1.0	-48.53	331.65	4.20	-44.33
COC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651631	1	41	-1.0	-48.54	331.71	4.21	-44.33
CCC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004651632	0	42	-1.0	-46.95	334.72	2.86	-44.09
CCC1(C)CCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004651632	1	42	-1.0	-46.96	334.78	2.87	-44.09
CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004651633	0	38	-1.0	-48.29	322.65	6.57	-41.72
CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004651633	1	38	-1.0	-48.32	322.71	6.58	-41.74
C=CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004651634	0	33	-1.0	-52.83	289.62	2.54	-50.29
C=CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004651634	1	33	-1.0	-52.80	289.57	2.52	-50.28
C=CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004651635	0	33	-1.0	-39.30	300.20	2.33	-36.97
C=CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004651635	1	33	-1.0	-39.29	300.13	2.32	-36.97
CCC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651636	0	38	-1.0	-46.75	303.56	3.62	-43.13
CCC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651636	1	38	-1.0	-46.78	303.61	3.64	-43.14
CCC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651637	0	38	-1.0	-35.02	314.12	3.41	-31.61
CCC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651637	1	38	-1.0	-34.99	314.20	3.42	-31.57
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC12CC2	REAL250004651638	0	36	-1.0	-41.06	289.95	6.62	-34.44
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC12CC2	REAL250004651638	1	36	-1.0	-40.90	290.01	6.63	-34.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC12CC2	REAL250004651639	0	33	-1.0	-37.19	276.21	4.41	-32.78
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC12CC2	REAL250004651639	1	33	-1.0	-37.19	276.28	4.42	-32.77
COCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004651640	0	32	-1.0	-53.01	284.36	2.01	-51.00
COCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004651640	1	32	-1.0	-52.99	284.42	2.03	-50.96
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1CCC1	REAL250004651641	0	36	-1.0	-46.85	305.02	0.38	-46.47
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1CCC1	REAL250004651641	1	36	-1.0	-46.84	305.08	0.40	-46.44
O=C(CCCC1=N[N-]N=N1)N1C2CCC1(F)CCC2	REAL250004651642	0	36	-1.0	-53.46	283.76	4.66	-48.80
O=C(CCCC1=NN=N[N-]1)N1C2CCC1(F)CCC2	REAL250004651642	1	36	-1.0	-53.47	283.82	4.67	-48.80
CNC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004651643	0	36	-1.0	-47.13	310.20	0.16	-46.97
CNC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004651643	1	36	-1.0	-47.13	310.14	0.14	-46.99
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCC(=O)N2)C1	REAL250004651644	0	37	-1.0	-55.04	304.84	1.12	-53.92
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCC(=O)N2)C1	REAL250004651644	1	37	-1.0	-55.06	304.90	1.14	-53.92
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1CC(N)=O	REAL250004651645	0	36	-1.0	-58.95	313.82	-0.34	-59.29
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1CC(N)=O	REAL250004651645	1	36	-1.0	-58.94	313.88	-0.32	-59.26
CC1(CNC(=O)CCCC2=N[N-]N=N2)CN(C2CC2)C1=O	REAL250004651646	0	40	-1.0	-52.59	334.42	2.62	-49.97
CC1(CNC(=O)CCCC2=NN=N[N-]2)CN(C2CC2)C1=O	REAL250004651646	1	40	-1.0	-52.60	334.48	2.63	-49.97
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(C1)OCCO2	REAL250004651647	0	41	-1.0	-49.77	331.79	1.95	-47.82
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(C1)OCCO2	REAL250004651647	1	41	-1.0	-49.83	331.84	1.97	-47.86
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCC2)CC1	REAL250004651648	0	42	-1.0	-47.03	325.35	4.80	-42.23
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCC2)CC1	REAL250004651648	1	42	-1.0	-47.00	325.41	4.82	-42.18
CC1(NC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004651649	0	41	-1.0	-46.33	296.35	4.99	-41.34
CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004651649	1	41	-1.0	-46.36	296.41	5.00	-41.36
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(C2CCC2)S1	REAL250004651650	1	34	-1.0	-56.06	304.44	3.59	-52.47
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)C1(F)F	REAL250004651651	0	38	-1.0	-45.80	306.66	4.80	-41.00
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)C1(F)F	REAL250004651651	1	38	-1.0	-45.78	306.71	4.81	-40.97
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2OCO[C@H]2C1	REAL250004651652	0	32	-1.0	-47.84	265.32	0.68	-47.16
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2OCO[C@H]2C1	REAL250004651652	1	32	-1.0	-47.86	265.38	0.69	-47.17
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2OCO[C@H]2C1	REAL250004651653	0	32	-1.0	-37.11	272.47	0.90	-36.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2OCO[C@H]2C1	REAL250004651653	1	32	-1.0	-37.09	272.54	0.91	-36.18
N#CC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004651654	0	34	-1.0	-55.52	294.54	0.49	-55.03
N#CC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004651654	1	34	-1.0	-55.56	294.60	0.50	-55.06
N#CC[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004651655	0	34	-1.0	-45.39	301.69	0.79	-44.60
N#CC[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004651655	1	34	-1.0	-45.36	301.76	0.79	-44.57
COC(=O)CC[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651656	0	41	-1.0	-49.92	343.80	4.09	-45.83
COC(=O)CC[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651656	1	41	-1.0	-49.96	343.86	4.10	-45.86
COC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651657	0	41	-1.0	-51.08	336.08	3.79	-47.29
COC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651657	1	41	-1.0	-51.02	336.13	3.80	-47.22
COC(=O)C1N(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004651658	0	38	-1.0	-51.66	320.17	4.25	-47.41
COC(=O)C1N(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004651658	1	38	-1.0	-51.66	320.22	4.26	-47.40
O=C(CCCC1=N[N-]N=N1)N(CC1CCOCC1)C1CC1	REAL250004651659	0	43	-1.0	-47.35	332.11	4.70	-42.65
O=C(CCCC1=NN=N[N-]1)N(CC1CCOCC1)C1CC1	REAL250004651659	1	43	-1.0	-47.33	332.16	4.71	-42.62
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(C2)C1	REAL250004651660	0	42	-1.0	-47.67	316.01	4.55	-43.12
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCC(C2)C1	REAL250004651660	1	42	-1.0	-47.67	316.06	4.57	-43.10
O=C(CCCC1=N[N-]N=N1)N1C2CCC1C(O)CCC2	REAL250004651662	0	40	-1.0	-52.99	301.05	3.10	-49.89
O=C(CCCC1=NN=N[N-]1)N1C2CCC1C(O)CCC2	REAL250004651662	1	40	-1.0	-53.00	301.11	3.12	-49.88
CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)COC1	REAL250004651663	0	36	-1.0	-52.54	300.06	3.36	-49.18
CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)COC1	REAL250004651663	1	36	-1.0	-52.55	300.55	3.34	-49.21
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004651664	0	33	-1.0	-35.79	286.32	0.23	-35.56
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004651664	1	33	-1.0	-35.76	286.39	0.23	-35.53
CC(CCC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004651665	0	40	-1.0	-49.22	336.71	4.26	-44.96
CC(CCC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004651665	1	40	-1.0	-49.21	336.77	4.27	-44.94
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004651666	0	36	-1.0	-47.20	310.18	1.37	-45.83
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004651666	1	36	-1.0	-47.22	310.24	1.39	-45.83
CN(CC1=NN=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004651667	0	33	-1.0	-61.58	283.96	1.53	-60.05
CN(CC1=NN=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004651667	1	33	-1.0	-61.57	284.01	1.54	-60.03
CN(CCOC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004651668	0	36	-1.0	-45.89	300.86	3.52	-42.37
CN(CCOC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004651668	1	36	-1.0	-45.89	300.92	3.54	-42.35
CN(CCOC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651669	0	36	-1.0	-36.19	308.80	3.90	-32.29
CN(CCOC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651669	1	36	-1.0	-36.16	308.87	3.92	-32.24
CC(C)(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651670	0	45	-1.0	-47.94	345.65	4.75	-43.19
CC(C)(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651670	1	45	-1.0	-47.94	345.71	4.76	-43.18
COC(=O)C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004651671	0	39	-1.0	-54.58	327.49	0.72	-53.86
COC(=O)C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004651671	1	39	-1.0	-54.64	327.54	0.73	-53.91
COC(=O)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004651672	0	38	-1.0	-49.56	330.09	1.37	-48.19
COC(=O)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004651672	1	38	-1.0	-49.55	330.14	1.38	-48.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCOCC2=C1	REAL250004651673	0	37	-1.0	-49.40	306.99	3.45	-45.95
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCOCC2=C1	REAL250004651673	1	37	-1.0	-49.43	307.04	3.46	-45.97
O=C(CCCC1=NN=N[N-]1)NCC1=CSN=C1	REAL250004651674	0	28	-1.0	-46.45	263.65	1.13	-45.32
O=C(CCCC1=N[N-]N=N1)NCC1=CSN=C1	REAL250004651674	1	28	-1.0	-46.40	263.59	1.11	-45.29
O=C(NCC1=CSN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651675	0	28	-1.0	-36.55	274.18	0.91	-35.64
O=C(NCC1=CSN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651675	1	28	-1.0	-36.50	274.25	0.91	-35.59
C[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651676	0	36	-1.0	-47.04	290.63	1.10	-45.94
C[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651676	1	36	-1.0	-47.05	290.69	1.12	-45.93
C[C@@H]1CCO[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651677	0	36	-1.0	-36.80	301.18	0.90	-35.90
C[C@@H]1CCO[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651677	1	36	-1.0	-36.80	301.25	0.91	-35.89
O=C(CCCC1=N[N-]N=N1)NC1=CC(OC2CC2)=CC=N1	REAL250004651678	0	36	-1.0	-51.71	309.99	4.01	-47.70
O=C(CCCC1=NN=N[N-]1)NC1=CC(OC2CC2)=CC=N1	REAL250004651678	1	36	-1.0	-51.70	310.05	4.02	-47.68
CN1N=C(C2CCC2)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651679	0	38	-1.0	-55.44	320.83	6.20	-49.24
CN1N=C(C2CCC2)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651679	1	38	-1.0	-55.40	320.89	6.21	-49.19
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H]2COC[C@H]2C1	REAL250004651680	0	38	-1.0	-51.88	289.54	1.72	-50.16
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H]2COC[C@H]2C1	REAL250004651680	1	38	-1.0	-51.94	289.60	1.73	-50.21
O=C(CCCC1=N[N-]N=N1)N1CC=CCC12CCOCC2	REAL250004651681	0	41	-1.0	-45.97	306.12	4.07	-41.90
O=C(CCCC1=NN=N[N-]1)N1CC=CCC12CCOCC2	REAL250004651681	1	41	-1.0	-46.01	306.18	4.09	-41.92
CN1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004651682	0	36	-1.0	-51.30	304.80	0.85	-50.45
CN1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004651682	1	36	-1.0	-51.35	304.86	0.86	-50.49
CC(O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651683	0	42	-1.0	-48.07	327.37	2.36	-45.71
CC(O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651683	1	42	-1.0	-48.04	327.43	2.37	-45.67
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCC2	REAL250004651684	0	39	-1.0	-46.58	308.26	4.52	-42.06
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCC2	REAL250004651684	1	39	-1.0	-46.61	308.31	4.54	-42.07
O=C(NC1CCCC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651685	0	39	-1.0	-35.16	317.27	4.53	-30.63
O=C(NC1CCCC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651685	1	39	-1.0	-35.14	317.34	4.53	-30.61
COC1=CC=CC(N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651686	0	36	-1.0	-51.97	304.66	4.39	-47.58
COC1=CC=CC(N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651686	1	36	-1.0	-51.94	304.72	4.41	-47.53
COC(=O)C(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651687	0	41	-1.0	-49.07	327.94	5.20	-43.87
COC(=O)C(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651687	1	41	-1.0	-49.07	328.00	5.20	-43.87
COC(=O)CCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651688	0	40	-1.0	-51.38	335.73	4.94	-46.44
COC(=O)CCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651688	1	40	-1.0	-51.39	335.78	4.96	-46.43
CN(CC1=CC(Cl)=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004651689	0	34	-1.0	-51.14	308.67	4.26	-46.88
CN(CC1=CC(Cl)=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004651689	1	34	-1.0	-51.15	308.72	4.27	-46.88
COC(=O)C[C@@H](O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651690	0	35	-1.0	-50.24	305.66	-0.63	-50.87
COC(=O)C[C@@H](O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651690	1	35	-1.0	-50.26	305.72	-0.61	-50.87
CC(C)(C)OC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651691	0	45	-1.0	-47.98	345.77	4.74	-43.24
CC(C)(C)OC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651691	1	45	-1.0	-47.98	345.83	4.75	-43.23
CC1=NC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651692	0	34	-1.0	-50.00	290.06	4.36	-45.64
CC1=NC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651692	1	34	-1.0	-50.00	290.12	4.37	-45.63
CC1=NC=CC=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651693	0	34	-1.0	-37.28	296.17	4.64	-32.64
CC1=NC=CC=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651693	1	34	-1.0	-37.26	296.24	4.65	-32.61
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)(F)CC1	REAL250004651694	0	38	-1.0	-47.65	305.15	3.70	-43.95
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)(F)CC1	REAL250004651694	1	38	-1.0	-47.68	305.21	3.71	-43.97
COCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651695	0	35	-1.0	-46.69	308.93	0.75	-45.94
COCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651695	1	35	-1.0	-46.70	308.99	0.76	-45.94
N#CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651696	0	36	-1.0	-40.94	299.54	6.45	-34.49
N#CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651696	1	36	-1.0	-41.96	301.46	6.43	-35.53
N#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651697	0	33	-1.0	-44.18	291.32	4.10	-40.08
N#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651697	1	33	-1.0	-44.20	291.38	4.10	-40.10
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CC2(F)F)CC1	REAL250004651698	0	39	-1.0	-49.16	319.50	5.82	-43.34
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CC2(F)F)CC1	REAL250004651698	1	39	-1.0	-49.18	319.56	5.83	-43.35
O=C(CCCC1=NN=N[N-]1)NC1=NC=C2CCCCN21	REAL250004651699	0	36	-1.0	-56.98	298.29	6.17	-50.81
O=C(CCCC1=N[N-]N=N1)NC1=NC=C2CCCCN21	REAL250004651699	1	36	-1.0	-56.96	298.24	6.15	-50.81
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(F)C1	REAL250004651700	0	35	-1.0	-52.16	292.79	5.31	-46.85
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC(F)C1	REAL250004651700	1	35	-1.0	-51.99	292.86	5.33	-46.66
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)C1	REAL250004651701	0	32	-1.0	-35.29	279.76	2.29	-33.00
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)C1	REAL250004651701	1	32	-1.0	-35.27	279.83	2.29	-32.98
CC1(NC(=O)CCCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004651702	0	32	-1.0	-51.61	279.50	-1.44	-53.05
CC1(NC(=O)CCCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004651702	1	32	-1.0	-51.62	279.56	-1.43	-53.05
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1(O)CC1	REAL250004651703	0	36	-1.0	-52.72	305.51	2.42	-50.30
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1(O)CC1	REAL250004651703	1	36	-1.0	-52.58	305.60	2.44	-50.14
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(O)CC1	REAL250004651704	0	33	-1.0	-36.22	291.72	-0.69	-36.91
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(O)CC1	REAL250004651704	1	33	-1.0	-36.20	291.79	-0.68	-36.88
CC(F)(F)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651705	0	35	-1.0	-49.93	301.63	4.33	-45.60
CC(F)(F)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651705	1	35	-1.0	-49.92	301.69	4.35	-45.57
COCC(O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651706	0	37	-1.0	-51.98	308.47	-1.80	-53.78
COCC(O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651706	1	37	-1.0	-51.97	308.53	-1.79	-53.76
CO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651707	0	42	-1.0	-48.36	324.21	2.68	-45.68
CO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651707	1	42	-1.0	-48.38	324.27	2.70	-45.68
COCC(NC(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004651708	0	39	-1.0	-45.64	310.94	2.93	-42.71
COCC(NC(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004651708	1	39	-1.0	-45.68	311.00	2.95	-42.73
CC(C)C[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651709	0	40	-1.0	-53.46	323.45	6.47	-46.99
CC(C)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651709	1	40	-1.0	-53.20	323.94	6.45	-46.75
CC(C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651710	0	37	-1.0	-35.43	309.72	3.33	-32.10
CC(C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651710	1	37	-1.0	-35.40	309.79	3.35	-32.05
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CSC2	REAL250004651711	0	34	-1.0	-46.79	280.34	4.46	-42.33
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CSC2	REAL250004651711	1	34	-1.0	-46.80	280.40	4.47	-42.33
O=C(CCCC1=N[N-]N=N1)NCC1C(F)(F)C12CCCC2	REAL250004651712	0	39	-1.0	-47.62	326.52	4.54	-43.08
O=C(CCCC1=NN=N[N-]1)NCC1C(F)(F)C12CCCC2	REAL250004651712	1	39	-1.0	-47.64	326.57	4.56	-43.08
CCCC(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651713	0	40	-1.0	-46.85	312.92	5.29	-41.56
CCCC(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651713	1	40	-1.0	-46.87	312.97	5.31	-41.56
CCCC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651714	0	40	-1.0	-35.50	320.81	5.69	-29.81
CCCC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651714	1	40	-1.0	-35.48	320.88	5.70	-29.78
CC1=NC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004651715	0	33	-1.0	-48.28	282.89	1.92	-46.36
CC1=NC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004651715	1	33	-1.0	-48.33	282.95	1.93	-46.40
CC1=NC=CC=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651716	0	33	-1.0	-35.92	293.49	1.70	-34.22
CC1=NC=CC=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651716	1	33	-1.0	-35.87	293.56	1.70	-34.17
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC12CCC2	REAL250004651717	0	40	-1.0	-49.04	330.18	1.29	-47.75
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC12CCC2	REAL250004651717	1	40	-1.0	-49.04	330.23	1.31	-47.73
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCOC2)CC1	REAL250004651718	0	40	-1.0	-46.40	311.97	2.78	-43.62
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCOC2)CC1	REAL250004651718	1	40	-1.0	-46.42	312.02	2.79	-43.63
CO[C@@H]1CCO[C@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651719	0	40	-1.0	-48.56	327.06	0.56	-48.00
CO[C@@H]1CCO[C@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651719	1	40	-1.0	-48.61	327.12	0.57	-48.04
NC1=C(NC(=O)CCCC2=N[N-]N=N2)NC(=O)N=C1	REAL250004651720	0	30	-1.0	-61.47	263.07	-2.59	-64.06
NC1=C(NC(=O)CCCC2=NN=N[N-]2)NC(=O)N=C1	REAL250004651720	1	30	-1.0	-61.47	263.12	-2.57	-64.04
NC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC(=O)N=C1	REAL250004651721	0	30	-1.0	-44.57	273.64	-2.78	-47.35
NC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC(=O)N=C1	REAL250004651721	1	30	-1.0	-44.53	273.71	-2.78	-47.31
CC1=C(S(C)(=O)=NC(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004651722	0	34	-1.0	-55.28	305.16	1.23	-54.05
CC1=C(S(C)(=O)=NC(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004651722	1	34	-1.0	-55.28	305.22	1.25	-54.03
CN1C=CN=C1S(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004651723	0	34	-1.0	-54.27	303.51	0.90	-53.37
CN1C=CN=C1S(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004651723	1	34	-1.0	-54.26	303.57	0.92	-53.34
C=CCCS(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004651725	0	34	-1.0	-60.26	301.64	1.79	-58.47
C=CCCS(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004651725	1	34	-1.0	-60.29	301.70	1.80	-58.49
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004651726	0	42	-1.0	-45.47	326.66	1.54	-43.93
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004651726	1	42	-1.0	-45.49	326.72	1.55	-43.94
C#CCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651727	0	38	-1.0	-49.87	316.90	4.11	-45.76
C#CCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651727	1	38	-1.0	-49.87	316.96	4.13	-45.74
CC1=CNC(=O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651728	0	32	-1.0	-60.74	279.89	2.06	-58.68
CC1=CNC(=O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651728	1	32	-1.0	-60.79	279.95	2.08	-58.71
CC1=CNC(=O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004651729	0	32	-1.0	-48.45	291.23	1.57	-46.88
CC1=CNC(=O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004651729	1	32	-1.0	-48.46	291.29	1.58	-46.88
CN1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1=O	REAL250004651730	0	33	-1.0	-51.21	280.79	4.05	-47.16
CN1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1=O	REAL250004651730	1	33	-1.0	-50.47	281.42	4.08	-46.39
CN1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004651731	0	30	-1.0	-38.01	269.53	1.77	-36.24
CN1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004651731	1	30	-1.0	-37.99	269.60	1.77	-36.22
O=C(NC1(CO)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651732	0	36	-1.0	-54.19	298.26	2.14	-52.05
O=C(NC1(CO)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651732	1	36	-1.0	-54.00	298.36	2.14	-51.86
O=C(NC1(CO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651733	0	33	-1.0	-37.45	284.75	-1.11	-38.56
O=C(NC1(CO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651733	1	33	-1.0	-37.41	284.82	-1.10	-38.51
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)NN1	REAL250004651734	0	30	-1.0	-53.06	268.96	-2.01	-55.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)NN1	REAL250004651734	1	30	-1.0	-53.11	269.02	-2.00	-55.11
O=C(NCC1=CC(=O)NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651735	0	30	-1.0	-42.88	279.56	-2.23	-45.11
O=C(NCC1=CC(=O)NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651735	1	30	-1.0	-42.86	279.62	-2.22	-45.08
O=C(CCCC1=N[N-]N=N1)NCCN1CCNC1=S	REAL250004651736	0	35	-1.0	-61.77	309.99	1.59	-60.18
O=C(CCCC1=NN=N[N-]1)NCCN1CCNC1=S	REAL250004651736	1	35	-1.0	-61.78	310.05	1.60	-60.18
O=C(CCCC1=N[N-]N=N1)NCCCCC1=NC=CN1	REAL250004651738	0	38	-1.0	-54.10	322.97	2.49	-51.61
O=C(CCCC1=NN=N[N-]1)NCCCCC1=NC=CN1	REAL250004651738	1	38	-1.0	-54.12	323.03	2.50	-51.62
O=C(CCCC1=N[N-]N=N1)NCC1=C2CCCC2=NN1	REAL250004651739	0	36	-1.0	-47.34	304.44	1.72	-45.62
O=C(CCCC1=NN=N[N-]1)NCC1=C2CCCC2=NN1	REAL250004651739	1	36	-1.0	-47.37	304.50	1.73	-45.64
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NN=CN2)C1	REAL250004651740	0	32	-1.0	-56.14	279.37	3.28	-52.86
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NN=CN2)C1	REAL250004651740	1	32	-1.0	-56.14	279.42	3.29	-52.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NN=CN2)C1	REAL250004651741	0	32	-1.0	-42.67	287.47	3.15	-39.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NN=CN2)C1	REAL250004651741	1	32	-1.0	-42.69	287.54	3.17	-39.52
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CC2)N=C1	REAL250004651742	0	33	-1.0	-52.96	285.00	2.64	-50.32
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CC2)N=C1	REAL250004651742	1	33	-1.0	-52.90	284.94	2.63	-50.27
O=C(NC1=CN(C2CC2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651743	0	33	-1.0	-39.21	295.57	2.44	-36.77
O=C(NC1=CN(C2CC2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651743	1	33	-1.0	-39.26	295.50	2.43	-36.83
COC(=O)C1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651744	0	39	-1.0	-53.77	320.08	1.52	-52.25
COC(=O)C1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651744	1	39	-1.0	-53.74	320.14	1.53	-52.21
O=C(CCCC1=N[N-]N=N1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	REAL250004651745	0	43	-1.0	-45.97	315.55	2.28	-43.69
O=C(CCCC1=NN=N[N-]1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	REAL250004651745	1	43	-1.0	-46.01	315.61	2.30	-43.71
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2(C1)N=N2	REAL250004651746	0	32	-1.0	-55.92	274.25	-0.03	-55.95
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2(C1)N=N2	REAL250004651746	1	32	-1.0	-54.62	274.89	0.00	-54.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(C1)N=N2	REAL250004651747	0	29	-1.0	-35.41	263.02	-2.23	-37.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(C1)N=N2	REAL250004651747	1	29	-1.0	-35.39	263.08	-2.23	-37.62
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1	REAL250004651748	0	35	-1.0	-52.28	297.08	1.59	-50.69
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1	REAL250004651748	1	35	-1.0	-52.29	297.13	1.61	-50.68
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004651749	0	35	-1.0	-40.03	307.67	1.38	-38.65
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004651749	1	35	-1.0	-39.97	307.74	1.39	-38.58
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=NNC=N2)C1	REAL250004651750	0	36	-1.0	-55.05	303.71	1.89	-53.16
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=NNC=N2)C1	REAL250004651750	1	36	-1.0	-55.04	303.77	1.90	-53.14
CC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004651751	0	34	-1.0	-49.47	299.96	2.31	-47.16
CC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004651751	1	34	-1.0	-49.47	300.01	2.32	-47.15
CN1N=CC=C1[C@@H]1C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651752	0	39	-1.0	-50.29	331.66	3.25	-47.04
CN1N=CC=C1[C@@H]1C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651752	1	39	-1.0	-50.38	331.72	3.27	-47.11
CN(C)S(=O)(=NC(=O)CCCC1=N[N-]N=N1)N(C)C	REAL250004651753	0	37	-1.0	-54.32	315.15	-0.02	-54.34
CN(C)S(=O)(=NC(=O)CCCC1=NN=N[N-]1)N(C)C	REAL250004651753	1	37	-1.0	-54.37	315.21	0.00	-54.37
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1CC2(F)F	REAL250004651754	0	36	-1.0	-49.78	297.36	3.73	-46.05
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1CC2(F)F	REAL250004651754	1	36	-1.0	-49.77	297.43	3.74	-46.03
NC(=O)NCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651755	0	35	-1.0	-53.73	304.99	-6.47	-60.20
NC(=O)NCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651755	1	35	-1.0	-53.71	305.05	-6.46	-60.17
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCOC1	REAL250004651756	0	40	-1.0	-46.77	325.51	-0.96	-47.73
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCOC1	REAL250004651756	1	40	-1.0	-46.80	325.56	-0.95	-47.75
CC(C)CN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004651757	0	38	-1.0	-48.78	302.66	1.56	-47.22
CC(C)CN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004651757	1	38	-1.0	-48.82	302.72	1.58	-47.24
CC(C)CN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651758	0	38	-1.0	-35.91	310.91	2.20	-33.71
CC(C)CN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651758	1	38	-1.0	-35.88	310.98	2.20	-33.68
CC(C)N1C=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651759	0	41	-1.0	-47.97	341.69	3.44	-44.53
CC(C)N1C=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651759	1	41	-1.0	-48.02	341.74	3.45	-44.57
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C1CC1	REAL250004651760	0	38	-1.0	-46.91	294.39	5.13	-41.78
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C1CC1	REAL250004651760	1	38	-1.0	-46.94	294.45	5.15	-41.79
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C1CC1	REAL250004651761	0	38	-1.0	-35.77	301.85	5.91	-29.86
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C1CC1	REAL250004651761	1	38	-1.0	-35.74	301.91	5.93	-29.81
COC(C)(CCCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004651762	0	42	-1.0	-47.90	333.54	1.52	-46.38
COC(C)(CCCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004651762	1	42	-1.0	-47.92	333.59	1.54	-46.38
CCOC(OCC)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651763	0	42	-1.0	-49.87	342.93	2.23	-47.64
CCOC(OCC)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651763	1	42	-1.0	-49.89	342.99	2.25	-47.64
C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004651764	1	40	-1.0	-45.94	297.89	1.86	-44.08
C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004651764	1	40	-1.0	-45.96	297.95	1.88	-44.08
O=C(NCC[C@@H](O)CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651765	0	36	-1.0	-59.92	308.23	-1.48	-61.40
O=C(NCC[C@@H](O)CO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651765	1	36	-1.0	-59.70	308.32	-1.45	-61.15
O=C(NCC[C@@H](O)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651766	0	33	-1.0	-39.95	294.45	-4.58	-44.53
O=C(NCC[C@@H](O)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651766	1	33	-1.0	-39.97	294.51	-4.57	-44.54
O=C(CCCC1=N[N-]N=N1)NC1COC2CCCCC12	REAL250004651767	0	40	-1.0	-46.24	312.47	2.76	-43.48
O=C(CCCC1=NN=N[N-]1)NC1COC2CCCCC12	REAL250004651767	1	40	-1.0	-46.26	312.53	2.77	-43.49
CC1(C)C(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651768	0	39	-1.0	-47.31	313.77	0.25	-47.06
CC1(C)C(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651768	1	39	-1.0	-47.31	313.83	0.26	-47.05
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651769	0	36	-1.0	-56.96	299.29	2.29	-54.67
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651769	1	36	-1.0	-56.76	299.36	2.31	-54.45
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651770	0	33	-1.0	-36.77	285.17	-0.81	-37.58
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651770	1	33	-1.0	-36.72	285.24	-0.79	-37.51
CN(C(=O)CCCC1=N[N-]N=N1)C1CCSCC1	REAL250004651771	0	36	-1.0	-46.83	296.25	4.71	-42.12
CN(C(=O)CCCC1=NN=N[N-]1)C1CCSCC1	REAL250004651771	1	36	-1.0	-46.84	296.31	4.72	-42.12
COC[C@@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651772	0	38	-1.0	-50.79	326.46	1.51	-49.28
COC[C@@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651772	1	38	-1.0	-50.81	326.52	1.53	-49.28
CCOC(CNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004651773	0	39	-1.0	-46.54	322.61	1.45	-45.09
CCOC(CNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004651773	1	39	-1.0	-46.58	322.66	1.46	-45.12
CCOC(CCCNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004651774	0	45	-1.0	-49.31	365.62	2.87	-46.44
CCOC(CCCNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004651774	1	45	-1.0	-49.34	365.68	2.88	-46.46
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C(O)C=C1	REAL250004651775	0	37	-1.0	-49.80	319.54	-1.77	-51.57
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C(O)C=C1	REAL250004651775	1	37	-1.0	-49.82	319.60	-1.75	-51.57
COC(=O)C1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651776	0	35	-1.0	-46.90	308.55	1.94	-44.96
COC(=O)C1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651776	1	35	-1.0	-46.88	308.49	1.93	-44.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC=CC(O)=C21	REAL250004651777	0	36	-1.0	-49.11	304.54	3.50	-45.61
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=CC(O)=C21	REAL250004651777	1	36	-1.0	-49.12	304.60	3.52	-45.60
O=C(CCCC1=N[N-]N=N1)NC1=NNC(SCCO)=N1	REAL250004651778	0	33	-1.0	-53.34	306.30	0.87	-52.47
O=C(CCCC1=NN=N[N-]1)NC1=NNC(SCCO)=N1	REAL250004651778	1	33	-1.0	-53.41	306.35	0.88	-52.53
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C1)N=N2	REAL250004651779	0	29	-1.0	-53.95	260.43	-0.58	-54.53
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(C1)N=N2	REAL250004651779	1	29	-1.0	-53.21	259.79	-0.45	-53.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)N=N2	REAL250004651780	0	26	-1.0	-35.92	247.78	-3.10	-39.02
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)N=N2	REAL250004651780	1	26	-1.0	-35.88	247.85	-3.09	-38.97
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NC=CN2)C1	REAL250004651781	0	33	-1.0	-52.65	284.69	2.47	-50.18
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NC=CN2)C1	REAL250004651781	1	33	-1.0	-52.64	284.75	2.49	-50.15
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NC=CN2)C1	REAL250004651782	0	33	-1.0	-39.68	292.72	2.42	-37.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NC=CN2)C1	REAL250004651782	1	33	-1.0	-39.68	292.79	2.43	-37.25
NC(=O)C1C2=CNN=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651783	0	34	-1.0	-59.21	295.59	-0.72	-59.93
NC(=O)C1C2=CNN=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651783	1	34	-1.0	-59.22	295.65	-0.70	-59.92
NC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004651784	0	29	-1.0	-57.08	276.97	-1.18	-58.26
NC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004651784	1	29	-1.0	-57.04	276.91	-1.19	-58.23
CN1N=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651787	0	35	-1.0	-51.07	304.03	3.96	-47.11
CN1N=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651787	1	35	-1.0	-50.83	304.13	3.97	-46.86
CN1N=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651788	0	32	-1.0	-37.28	290.30	0.82	-36.46
CN1N=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651788	1	32	-1.0	-37.28	290.37	0.83	-36.45
N#CC1CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651789	0	30	-1.0	-52.76	273.66	3.22	-49.54
N#CC1CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651789	1	30	-1.0	-52.76	273.71	3.24	-49.52
O=C(CCCC1=N[N-]N=N1)NC1CN(C2=CC=CC=N2)C1	REAL250004651790	0	37	-1.0	-48.23	313.48	1.48	-46.75
O=C(CCCC1=NN=N[N-]1)NC1CN(C2=CC=CC=N2)C1	REAL250004651790	1	37	-1.0	-48.26	313.53	1.49	-46.77
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC(C2CC2)=N1	REAL250004651791	0	39	-1.0	-54.92	333.30	3.54	-51.38
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC(C2CC2)=N1	REAL250004651791	1	39	-1.0	-54.98	333.35	3.55	-51.43
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004651792	0	38	-1.0	-54.77	312.01	3.58	-51.19
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004651792	1	38	-1.0	-54.77	312.06	3.59	-51.18
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)C1=NNC=N1	REAL250004651793	0	32	-1.0	-51.19	283.85	-2.02	-53.21
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)C1=NNC=N1	REAL250004651793	1	32	-1.0	-51.21	283.91	-2.00	-53.21
O=C(NCC1=NOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651794	0	33	-1.0	-50.94	287.16	3.21	-47.73
O=C(NCC1=NOCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651794	1	33	-1.0	-50.77	287.64	3.20	-47.57
O=C(NCC1=NOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651795	0	30	-1.0	-40.41	273.41	0.08	-40.33
O=C(NCC1=NOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651795	1	30	-1.0	-40.39	273.48	0.09	-40.30
CC1(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL250004651796	0	38	-1.0	-50.26	307.74	-0.18	-50.44
CC1(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL250004651796	1	38	-1.0	-50.28	307.79	-0.16	-50.44
CC1(N2CCOCC2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651797	0	42	-1.0	-49.52	329.77	0.79	-48.73
CC1(N2CCOCC2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651797	1	42	-1.0	-49.51	329.83	0.80	-48.71
CC1=CC(O)=C(Cl)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651798	0	33	-1.0	-50.35	297.84	1.90	-48.45
CC1=CC(O)=C(Cl)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651798	1	33	-1.0	-50.38	297.90	1.91	-48.47
CCCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004651799	0	41	-1.0	-48.38	346.25	3.46	-44.92
CCCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004651799	1	41	-1.0	-48.35	346.31	3.47	-44.88
CC1=NC=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651800	0	34	-1.0	-50.00	290.06	4.36	-45.64
CC1=NC=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651800	1	34	-1.0	-50.00	290.12	4.37	-45.63
CC1=NC=CC=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651801	0	34	-1.0	-37.28	296.17	4.64	-32.64
CC1=NC=CC=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651801	1	34	-1.0	-37.26	296.24	4.65	-32.61
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CC(O)C2)CC1	REAL250004651802	0	42	-1.0	-51.10	329.21	-1.40	-52.50
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CC(O)C2)CC1	REAL250004651802	1	42	-1.0	-51.13	329.26	-1.38	-52.51
CC1=NC=C(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004651803	0	34	-1.0	-52.27	298.00	-0.17	-52.44
CC1=NC=C(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004651803	1	34	-1.0	-52.30	298.05	-0.16	-52.46
CC1=NC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004651804	0	34	-1.0	-39.49	308.59	-0.38	-39.87
CC1=NC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004651804	1	34	-1.0	-39.49	308.66	-0.37	-39.86
CC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651805	0	33	-1.0	-49.12	287.31	0.42	-48.70
CC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651805	1	33	-1.0	-49.17	287.37	0.43	-48.74
CC(=O)N1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651806	0	33	-1.0	-40.28	297.43	0.26	-40.02
CC(=O)N1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651806	1	33	-1.0	-40.23	297.50	0.27	-39.96
O=C(CCCC1=N[N-]N=N1)N1CC2(CCCC2)CC1CO	REAL250004651807	0	43	-1.0	-49.37	331.18	4.12	-45.25
O=C(CCCC1=NN=N[N-]1)N1CC2(CCCC2)CC1CO	REAL250004651807	1	43	-1.0	-49.38	331.24	4.13	-45.25
CC(C)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651808	0	44	-1.0	-47.03	337.32	4.88	-42.15
CC(C)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651808	1	44	-1.0	-47.04	337.38	4.89	-42.15
O=C(CCCC1=N[N-]N=N1)N1CCOCCC12CCC2	REAL250004651809	0	40	-1.0	-46.80	300.83	3.87	-42.93
O=C(CCCC1=NN=N[N-]1)N1CCOCCC12CCC2	REAL250004651809	1	40	-1.0	-46.83	300.88	3.89	-42.94
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2C=NC=CN12	REAL250004651810	0	31	-1.0	-51.91	274.06	3.02	-48.89
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2C=NC=CN12	REAL250004651810	1	31	-1.0	-51.93	274.00	3.01	-48.92
CC1(CO)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651811	0	36	-1.0	-63.76	296.31	2.45	-61.31
CC1(CO)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651811	1	36	-1.0	-63.50	296.41	2.48	-61.02
CC1(CO)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651812	0	33	-1.0	-41.88	284.43	-0.07	-41.95
CC1(CO)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651812	1	33	-1.0	-41.89	284.49	-0.07	-41.96
O=C(CCCC1=N[N-]N=N1)NCCCC1=NC=CN1	REAL250004651813	0	35	-1.0	-50.75	301.47	1.71	-49.04
O=C(CCCC1=NN=N[N-]1)NCCCC1=NC=CN1	REAL250004651813	1	35	-1.0	-50.78	301.53	1.72	-49.06
O=C(NCCCC1=NC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651814	0	35	-1.0	-40.97	312.06	1.51	-39.46
O=C(NCCCC1=NC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651814	1	35	-1.0	-40.97	312.13	1.51	-39.46
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CS1	REAL250004651816	0	35	-1.0	-51.99	306.61	3.74	-48.25
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CS1	REAL250004651816	1	35	-1.0	-51.99	306.67	3.76	-48.23
O=C(CCCC1=NN=N[N-]1)NC1=NC=C2C=CC=CN21	REAL250004651817	0	32	-1.0	-57.69	281.90	6.61	-51.08
O=C(CCCC1=N[N-]N=N1)NC1=NC=C2C=CC=CN21	REAL250004651817	1	32	-1.0	-57.64	281.85	6.60	-51.04
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC1)N=N2	REAL250004651818	0	35	-1.0	-46.49	294.46	-2.25	-48.74
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC1)N=N2	REAL250004651818	1	35	-1.0	-46.48	294.52	-2.24	-48.72
O=C(NC1CCC2(CC1)N=N2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651819	0	35	-1.0	-35.63	305.05	-2.45	-38.08
O=C(NC1CCC2(CC1)N=N2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651819	1	35	-1.0	-35.63	305.12	-2.44	-38.07
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H](CN2C=CN=C2)C1	REAL250004651820	0	39	-1.0	-54.06	328.76	5.10	-48.96
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H](CN2C=CN=C2)C1	REAL250004651820	1	39	-1.0	-54.09	328.82	5.12	-48.97
COC(=O)C=CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651821	0	38	-1.0	-47.41	317.42	3.28	-44.13
COC(=O)C=CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651821	1	38	-1.0	-47.37	317.48	3.30	-44.07
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NNC=C2)C1	REAL250004651822	0	33	-1.0	-51.99	284.84	1.98	-50.01
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NNC=C2)C1	REAL250004651822	1	33	-1.0	-52.01	284.89	1.99	-50.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NNC=C2)C1	REAL250004651823	0	33	-1.0	-39.90	292.82	1.91	-37.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NNC=C2)C1	REAL250004651823	1	33	-1.0	-39.84	292.89	1.92	-37.92
O=C(CCCC1=N[N-]N=N1)NCC1=C2COCCC2=NN1	REAL250004651824	0	37	-1.0	-47.73	313.08	-0.15	-47.88
O=C(CCCC1=NN=N[N-]1)NCC1=C2COCCC2=NN1	REAL250004651824	1	37	-1.0	-47.77	313.14	-0.14	-47.91
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(C1)N=N2	REAL250004651825	0	35	-1.0	-48.59	294.49	-2.27	-50.86
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(C1)N=N2	REAL250004651825	1	35	-1.0	-48.60	294.54	-2.25	-50.85
O=C(NC1CCCC2(C1)N=N2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651826	0	35	-1.0	-36.42	305.08	-2.46	-38.88
O=C(NC1CCCC2(C1)N=N2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651826	1	35	-1.0	-36.37	305.14	-2.45	-38.82
CN(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651828	0	37	-1.0	-48.97	304.30	3.75	-45.22
CN(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651828	1	37	-1.0	-48.95	304.36	3.76	-45.19
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1CCCCC1	REAL250004651829	0	40	-1.0	-45.25	324.53	3.80	-41.45
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1CCCCC1	REAL250004651829	1	40	-1.0	-45.29	324.59	3.81	-41.48
CS(=O)(=O)C=CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651830	0	32	-1.0	-54.99	293.43	-1.36	-56.35
CS(=O)(=O)C=CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651830	1	32	-1.0	-55.04	293.48	-1.35	-56.39
CC(C)S(=O)(=NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004651831	0	39	-1.0	-62.10	319.95	2.85	-59.25
CC(C)S(=O)(=NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004651831	1	39	-1.0	-62.10	320.00	2.87	-59.23
CC[C@@H](COC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651832	0	38	-1.0	-50.89	310.07	4.02	-46.87
CC[C@@H](COC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651832	1	38	-1.0	-51.17	310.56	4.00	-47.17
CC[C@@H](COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651833	0	35	-1.0	-35.84	296.33	0.88	-34.96
CC[C@@H](COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651833	1	35	-1.0	-35.76	296.40	0.88	-34.88
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=C1	REAL250004651834	0	38	-1.0	-47.90	316.35	2.54	-45.36
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=C1	REAL250004651834	1	38	-1.0	-47.87	316.41	2.56	-45.31
CN(CC1=CC=CC(F)=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004651835	0	35	-1.0	-44.75	303.95	5.52	-39.23
CN(CC1=CC=CC(F)=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004651835	1	35	-1.0	-44.71	304.01	5.54	-39.17
CN(CC1=NC=CN1C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004651836	0	39	-1.0	-44.65	320.24	5.32	-39.33
CN(CC1=NC=CN1C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004651836	1	39	-1.0	-44.67	320.30	5.33	-39.34
CC(C)N(CC1=NC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004651837	0	41	-1.0	-44.23	322.91	5.57	-38.66
CC(C)N(CC1=NC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004651837	1	41	-1.0	-44.17	322.96	5.59	-38.58
CCN(CC1=NC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004651838	0	38	-1.0	-45.01	313.88	4.87	-40.14
CCN(CC1=NC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004651838	1	38	-1.0	-44.97	313.95	4.89	-40.08
O=C(CCCC1=N[N-]N=N1)N[C@@H](C1CC1)C(F)(F)F	REAL250004651839	0	32	-1.0	-47.11	282.66	3.03	-44.08
O=C(CCCC1=NN=N[N-]1)N[C@@H](C1CC1)C(F)(F)F	REAL250004651839	1	32	-1.0	-47.11	282.72	3.04	-44.07
O=C(CCCC1=N[N-]N=N1)N[C@H](C1CC1)C(F)(F)F	REAL250004651840	0	32	-1.0	-46.98	275.85	2.84	-44.14
O=C(CCCC1=NN=N[N-]1)N[C@H](C1CC1)C(F)(F)F	REAL250004651840	1	32	-1.0	-46.98	275.91	2.85	-44.13
C#CC1(O)CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651841	0	38	-1.0	-50.28	316.62	1.04	-49.24
C#CC1(O)CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651841	1	38	-1.0	-50.32	316.68	1.06	-49.26
COC(=O)C1(CF)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651842	0	38	-1.0	-54.90	322.31	4.11	-50.79
COC(=O)C1(CF)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651842	1	38	-1.0	-54.92	322.37	4.13	-50.79
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651843	0	42	-1.0	-49.90	345.74	2.71	-47.19
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651843	1	42	-1.0	-49.94	345.80	2.73	-47.21
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCC2)S1	REAL250004651844	0	32	-1.0	-54.34	285.39	3.94	-50.40
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCC2)S1	REAL250004651844	1	32	-1.0	-54.38	285.45	3.95	-50.43
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C2(CCC2)C1	REAL250004651845	0	40	-1.0	-48.54	316.41	1.73	-46.81
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C2(CCC2)C1	REAL250004651845	1	40	-1.0	-48.51	316.46	1.75	-46.76
CC(C)N1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004651846	0	42	-1.0	-52.49	347.21	2.66	-49.83
CC(C)N1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004651846	1	42	-1.0	-52.49	347.27	2.67	-49.82
CCC(CC)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651847	0	40	-1.0	-52.63	316.06	5.99	-46.64
CCC(CC)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651847	1	40	-1.0	-52.39	316.15	6.01	-46.38
CCC(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651848	0	37	-1.0	-34.86	302.52	2.99	-31.87
CCC(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651848	1	37	-1.0	-34.80	302.59	2.99	-31.81
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004651849	0	35	-1.0	-45.47	314.56	4.58	-40.89
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004651849	1	35	-1.0	-45.50	314.61	4.59	-40.91
CC1(C)CCOC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651850	0	42	-1.0	-49.50	331.25	2.47	-47.03
CC1(C)CCOC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651850	1	42	-1.0	-49.51	331.31	2.49	-47.02
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2)CO1	REAL250004651851	0	37	-1.0	-46.81	308.45	2.07	-44.74
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2)CO1	REAL250004651851	1	37	-1.0	-46.83	308.51	2.09	-44.74
CC(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004651852	0	41	-1.0	-46.16	313.73	5.42	-40.74
CC(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004651852	1	41	-1.0	-46.15	313.79	5.43	-40.72
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004651853	0	37	-1.0	-60.91	312.56	2.46	-58.45
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004651853	1	37	-1.0	-60.92	312.61	2.48	-58.44
CNC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651854	0	35	-1.0	-48.85	288.52	-0.35	-49.20
CNC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651854	1	35	-1.0	-48.84	288.58	-0.34	-49.18
CNC(=O)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651855	0	35	-1.0	-36.67	299.10	-0.57	-37.24
CNC(=O)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651855	1	35	-1.0	-36.65	299.17	-0.56	-37.21
C#CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004651856	0	35	-1.0	-48.96	301.52	3.19	-45.77
C#CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004651856	1	35	-1.0	-48.99	301.57	3.20	-45.79
C#CCN(CC=C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651857	0	31	-1.0	-36.50	283.11	5.19	-31.31
C#CCN(CC=C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651857	1	31	-1.0	-36.44	283.18	5.20	-31.24
C#CC(CC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004651858	0	38	-1.0	-49.74	319.13	2.44	-47.30
C#CC(CC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004651858	1	38	-1.0	-49.75	319.18	2.45	-47.30
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H](CO)C1	REAL250004651859	0	34	-1.0	-49.22	280.57	-1.18	-50.40
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H](CO)C1	REAL250004651859	1	34	-1.0	-49.22	280.62	-1.17	-50.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCO[C@@H](CO)C1	REAL250004651860	0	34	-1.0	-37.55	288.22	-0.92	-38.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCO[C@@H](CO)C1	REAL250004651860	1	34	-1.0	-37.56	288.29	-0.91	-38.47
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1CCC[C@H]1O	REAL250004651861	0	39	-1.0	-48.84	315.10	0.44	-48.40
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1CCC[C@H]1O	REAL250004651861	1	39	-1.0	-48.85	315.16	0.45	-48.40
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004651862	0	35	-1.0	-49.97	301.44	1.63	-48.34
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004651862	1	35	-1.0	-49.98	301.50	1.64	-48.34
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004651863	0	35	-1.0	-39.83	312.04	1.42	-38.41
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004651863	1	35	-1.0	-39.78	312.11	1.42	-38.36
CC(C)C[C@@H](CO)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651864	0	41	-1.0	-46.45	320.07	2.60	-43.85
CC(C)C[C@@H](CO)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651864	1	41	-1.0	-46.48	320.13	2.61	-43.87
CCN1C=CN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651865	0	38	-1.0	-57.69	315.20	4.72	-52.97
CCN1C=CN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651865	1	38	-1.0	-57.74	315.25	4.73	-53.01
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CN=C2S1	REAL250004651866	0	30	-1.0	-51.36	279.65	2.04	-49.32
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CN=C2S1	REAL250004651866	1	30	-1.0	-51.32	279.59	2.02	-49.30
COC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651867	0	36	-1.0	-56.06	294.68	4.24	-51.82
COC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651867	1	36	-1.0	-55.55	295.32	4.27	-51.28
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651868	0	33	-1.0	-36.04	283.44	2.02	-34.02
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651868	1	33	-1.0	-36.01	283.51	2.03	-33.98
CC[C@H](COC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651869	0	38	-1.0	-50.90	310.12	4.00	-46.90
CC[C@H](COC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651869	1	38	-1.0	-50.75	310.21	4.02	-46.73
CC[C@H](COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651870	0	35	-1.0	-35.83	296.33	0.88	-34.95
CC[C@H](COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651870	1	35	-1.0	-35.78	296.40	0.88	-34.90
CCCC=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651871	0	38	-1.0	-52.04	321.00	6.31	-45.73
CCCC=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651871	1	38	-1.0	-51.82	321.06	6.33	-45.49
CCCC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651872	0	35	-1.0	-34.86	306.84	3.21	-31.65
CCCC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651872	1	35	-1.0	-34.81	306.90	3.22	-31.59
CC1(C)CC(CCNC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004651873	0	42	-1.0	-57.90	336.66	0.77	-57.13
CC1(C)CC(CCNC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004651873	1	42	-1.0	-57.91	336.72	0.78	-57.13
CC1=CC=CC(C)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004651874	0	37	-1.0	-46.67	305.66	4.78	-41.89
CC1=CC=CC(C)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004651874	1	37	-1.0	-46.69	305.71	4.79	-41.90
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651875	0	41	-1.0	-46.44	325.44	4.47	-41.97
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651875	1	41	-1.0	-46.46	325.50	4.48	-41.98
O=C(CCCC1=N[N-]N=N1)N1CC(CO)CC(CO)C1	REAL250004651876	0	40	-1.0	-51.31	315.48	-1.50	-52.81
O=C(CCCC1=NN=N[N-]1)N1CC(CO)CC(CO)C1	REAL250004651876	1	40	-1.0	-51.33	315.54	-1.49	-52.82
CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004651877	0	36	-1.0	-47.53	303.29	5.69	-41.84
CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004651877	1	36	-1.0	-47.57	303.35	5.70	-41.87
O=C(CCCC1=N[N-]N=N1)NCC1CCC2C(C1)C2(F)F	REAL250004651878	0	39	-1.0	-49.39	318.08	4.62	-44.77
O=C(CCCC1=NN=N[N-]1)NCC1CCC2C(C1)C2(F)F	REAL250004651878	1	39	-1.0	-49.40	318.14	4.64	-44.76
CC1CN2N=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651879	0	36	-1.0	-48.67	294.60	3.28	-45.39
CC1CN2N=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651879	1	36	-1.0	-48.66	294.66	3.30	-45.36
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CO)C=C1O	REAL250004651880	0	34	-1.0	-49.67	295.34	-2.05	-51.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CO)C=C1O	REAL250004651880	1	34	-1.0	-49.67	295.40	-2.03	-51.70
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)C(F)(F)F	REAL250004651881	0	30	-1.0	-43.79	279.19	1.54	-42.25
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)C(F)(F)F	REAL250004651881	1	30	-1.0	-43.78	279.25	1.55	-42.23
CN1N=C(CO)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651882	0	33	-1.0	-54.54	285.70	-0.66	-55.20
CN1N=C(CO)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651882	1	33	-1.0	-54.54	285.76	-0.64	-55.18
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H](CN2C=CC=N2)C1	REAL250004651884	0	39	-1.0	-54.11	329.31	3.52	-50.59
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H](CN2C=CC=N2)C1	REAL250004651884	1	39	-1.0	-54.11	329.26	3.51	-50.60
O=C(CCCC1=N[N-]N=N1)NC1CC(CN2C=CN=C2)C1	REAL250004651885	0	39	-1.0	-52.74	328.66	5.16	-47.58
O=C(CCCC1=NN=N[N-]1)NC1CC(CN2C=CN=C2)C1	REAL250004651885	1	39	-1.0	-52.76	328.71	5.17	-47.59
O=C(CCCC1=NN=N[N-]1)NC1CC(CN2C=CC=N2)C1	REAL250004651886	0	39	-1.0	-50.75	328.87	3.58	-47.17
O=C(CCCC1=N[N-]N=N1)NC1CC(CN2C=CC=N2)C1	REAL250004651886	1	39	-1.0	-50.77	328.81	3.56	-47.21
O=C(CCCC1=NN=N[N-]1)NC1CC(CN2C=CN=N2)C1	REAL250004651887	0	38	-1.0	-54.55	322.71	2.32	-52.23
O=C(CCCC1=N[N-]N=N1)NC1CC(CN2C=CN=N2)C1	REAL250004651887	1	38	-1.0	-54.58	322.65	2.30	-52.28
O=C(CCCC1=N[N-]N=N1)NC1CN(C2=NCCS2)C1	REAL250004651888	0	36	-1.0	-47.78	317.67	1.09	-46.69
O=C(CCCC1=NN=N[N-]1)NC1CN(C2=NCCS2)C1	REAL250004651888	1	36	-1.0	-47.74	317.73	1.10	-46.64
O=C(CCCC1=N[N-]N=N1)NC1CC(C2=NC=CN2)C1	REAL250004651889	0	36	-1.0	-50.71	303.67	2.30	-48.41
O=C(CCCC1=NN=N[N-]1)NC1CC(C2=NC=CN2)C1	REAL250004651889	1	36	-1.0	-50.74	303.72	2.31	-48.43
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](CN2C=CC=N2)C1	REAL250004651890	0	39	-1.0	-52.60	329.18	3.55	-49.05
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](CN2C=CC=N2)C1	REAL250004651890	1	39	-1.0	-52.58	329.12	3.54	-49.04
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](CN2C=NC=N2)C1	REAL250004651891	0	38	-1.0	-54.68	323.93	4.99	-49.69
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](CN2C=NC=N2)C1	REAL250004651891	1	38	-1.0	-54.68	323.87	4.97	-49.71
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](CN2C=CN=C2)C1	REAL250004651892	0	39	-1.0	-52.84	328.69	5.15	-47.69
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](CN2C=CN=C2)C1	REAL250004651892	1	39	-1.0	-52.81	328.75	5.16	-47.65
CC(C)(O)C1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651893	0	38	-1.0	-48.26	327.90	-1.78	-50.04
CC(C)(O)C1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651893	1	38	-1.0	-48.25	327.96	-1.76	-50.01
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=NNC=C2)C1	REAL250004651894	0	37	-1.0	-52.55	308.78	1.31	-51.24
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=NNC=C2)C1	REAL250004651894	1	37	-1.0	-52.58	308.84	1.33	-51.25
O=C(CCCC1=N[N-]N=N1)N1CCCC(CC(F)F)C1	REAL250004651895	0	38	-1.0	-46.87	306.45	5.08	-41.79
O=C(CCCC1=NN=N[N-]1)N1CCCC(CC(F)F)C1	REAL250004651895	1	38	-1.0	-46.85	306.51	5.10	-41.75
CC(C)(C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004651896	0	45	-1.0	-47.63	335.12	3.43	-44.20
CC(C)(C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004651896	1	45	-1.0	-47.63	335.17	3.45	-44.18
C#CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651897	0	30	-1.0	-58.09	276.67	4.12	-53.97
C#CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651897	1	30	-1.0	-58.08	276.73	4.13	-53.95
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004651898	0	30	-1.0	-43.56	287.25	3.91	-39.65
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004651898	1	30	-1.0	-43.54	287.32	3.92	-39.62
CCCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651899	0	35	-1.0	-55.77	300.29	6.03	-49.74
CCCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651899	1	35	-1.0	-55.56	300.36	6.05	-49.51
CCCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651900	0	32	-1.0	-35.93	286.14	2.94	-32.99
CCCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651900	1	32	-1.0	-35.91	286.20	2.94	-32.97
CCC(C(=O)OC)N(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004651901	0	40	-1.0	-47.06	318.66	4.94	-42.12
CCC(C(=O)OC)N(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004651901	1	40	-1.0	-47.09	318.72	4.95	-42.14
C#CC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004651902	0	30	-1.0	-50.05	275.45	2.78	-47.27
C#CC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004651902	1	30	-1.0	-50.07	275.51	2.79	-47.28
C#CC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004651903	0	30	-1.0	-37.25	285.81	2.57	-34.68
C#CC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004651903	1	30	-1.0	-37.18	285.87	2.58	-34.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CC2)C=C1	REAL250004651904	0	36	-1.0	-48.40	302.49	5.46	-42.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CC2)C=C1	REAL250004651904	1	36	-1.0	-48.43	302.55	5.47	-42.96
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCOC2)N=N1	REAL250004651905	0	36	-1.0	-46.35	302.90	0.89	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCOC2)N=N1	REAL250004651905	1	36	-1.0	-46.33	302.84	0.87	-45.46
CC1(CNC(=O)CCCC2=N[N-]N=N2)NC(=O)NC1=O	REAL250004651906	0	34	-1.0	-52.39	296.43	-3.31	-55.70
CC1(CNC(=O)CCCC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004651906	1	34	-1.0	-52.43	296.49	-3.30	-55.73
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)C2(CCC2)C1	REAL250004651907	0	38	-1.0	-47.30	304.97	4.51	-42.79
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)C2(CCC2)C1	REAL250004651907	1	38	-1.0	-47.34	305.03	4.52	-42.82
O=C(CCCC1=N[N-]N=N1)N1COC2CCCCC2C1	REAL250004651908	0	40	-1.0	-47.11	310.04	3.31	-43.80
O=C(CCCC1=NN=N[N-]1)N1COC2CCCCC2C1	REAL250004651908	1	40	-1.0	-47.10	310.10	3.33	-43.77
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=CC=CC2=N1	REAL250004651909	0	32	-1.0	-51.04	279.21	4.81	-46.23
O=C(CCCC1=N[N-]N=N1)NC1=CN2C=CC=CC2=N1	REAL250004651909	1	32	-1.0	-51.02	279.15	4.79	-46.23
CCOC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651910	0	34	-1.0	-51.01	298.23	0.87	-50.14
CCOC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651910	1	34	-1.0	-50.97	298.17	0.86	-50.11
CC(C)OC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651911	0	37	-1.0	-50.23	318.18	1.79	-48.44
CC(C)OC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651911	1	37	-1.0	-50.25	318.12	1.78	-48.47
O=C(CCCC1=N[N-]N=N1)NC1=C2N=CC=CC2=NN1	REAL250004651913	0	31	-1.0	-49.44	274.27	1.38	-48.06
O=C(CCCC1=NN=N[N-]1)NC1=C2N=CC=CC2=NN1	REAL250004651913	1	31	-1.0	-49.42	274.33	1.40	-48.02
O=C(CCCC1=N[N-]N=N1)NC1=C2NC=CC=C2N=N1	REAL250004651913	1	31	-1.0	-80.29	276.31	1.60	-78.69
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=NC=C1CO	REAL250004651914	0	32	-1.0	-51.04	293.86	-0.37	-51.41
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=NC=C1CO	REAL250004651914	1	32	-1.0	-51.02	293.80	-0.38	-51.40
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)C(F)(F)CC1	REAL250004651915	0	34	-1.0	-51.66	286.16	3.77	-47.89
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)C(F)(F)CC1	REAL250004651915	1	34	-1.0	-51.67	286.21	3.78	-47.89
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H](C2=NC=CN2)C1	REAL250004651916	0	36	-1.0	-50.65	303.70	2.30	-48.35
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H](C2=NC=CN2)C1	REAL250004651916	1	36	-1.0	-50.66	303.76	2.31	-48.35
CN1N=CC=C1C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651917	0	34	-1.0	-47.25	298.82	1.23	-46.02
CN1N=CC=C1C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651917	1	34	-1.0	-47.26	298.88	1.25	-46.01
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1C(C)C	REAL250004651918	0	38	-1.0	-53.22	315.78	3.18	-50.04
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1C(C)C	REAL250004651918	1	38	-1.0	-53.22	315.84	3.19	-50.03
C=CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL250004651919	0	39	-1.0	-43.14	320.91	6.75	-36.39
C=CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL250004651919	1	39	-1.0	-43.01	321.00	6.76	-36.25
C=CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004651920	0	36	-1.0	-36.18	307.11	3.63	-32.55
C=CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004651920	1	36	-1.0	-36.21	307.18	3.64	-32.57
CCC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651921	0	39	-1.0	-47.76	297.44	3.37	-44.39
CCC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651921	1	39	-1.0	-47.78	297.50	3.39	-44.39
CCC1(C)COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004651922	0	42	-1.0	-46.08	317.82	2.95	-43.13
CCC1(C)COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004651922	1	42	-1.0	-46.08	317.88	2.97	-43.11
COC[C@H](CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004651923	0	36	-1.0	-46.80	303.40	-0.24	-47.04
COC[C@H](CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004651923	1	36	-1.0	-46.87	303.46	-0.23	-47.10
COC[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004651924	0	36	-1.0	-36.59	313.99	-0.46	-37.05
COC[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004651924	1	36	-1.0	-36.58	314.06	-0.45	-37.03
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)CC1	REAL250004651925	0	42	-1.0	-47.05	307.70	6.28	-40.77
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)CC1	REAL250004651925	1	42	-1.0	-47.06	307.76	6.30	-40.76
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004651926	0	39	-1.0	-48.92	305.69	3.81	-45.11
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004651926	1	39	-1.0	-48.92	305.75	3.82	-45.10
CCC(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651927	0	37	-1.0	-45.10	316.90	4.02	-41.08
CCC(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651927	1	37	-1.0	-45.14	316.96	4.04	-41.10
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC1C2CO	REAL250004651928	0	40	-1.0	-48.25	303.32	1.95	-46.30
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC1C2CO	REAL250004651928	1	40	-1.0	-48.30	303.38	1.97	-46.33
O=C(CCCC1=N[N-]N=N1)NCC1=C(O)C=C(O)C=C1O	REAL250004651929	0	35	-1.0	-51.53	309.47	-4.96	-56.49
O=C(CCCC1=NN=N[N-]1)NCC1=C(O)C=C(O)C=C1O	REAL250004651929	1	35	-1.0	-51.58	309.53	-4.95	-56.53
O=C(CCCC1=N[N-]N=N1)NCC(O)(CO)CO	REAL250004651930	0	34	-1.0	-49.29	288.81	-7.26	-56.55
O=C(CCCC1=NN=N[N-]1)NCC(O)(CO)CO	REAL250004651930	1	34	-1.0	-49.28	288.87	-7.24	-56.52
O=C(NCC(O)(CO)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651931	0	34	-1.0	-39.25	299.47	-7.66	-46.91
O=C(NCC(O)(CO)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651931	1	34	-1.0	-39.21	299.54	-7.65	-46.86
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H](CN2C=NC=N2)C1	REAL250004651932	0	38	-1.0	-56.36	324.13	4.95	-51.41
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H](CN2C=NC=N2)C1	REAL250004651932	1	38	-1.0	-56.32	324.07	4.93	-51.39
C=CCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651933	1	41	-1.0	-47.81	318.43	3.31	-44.50
C=CCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651933	1	41	-1.0	-47.84	318.48	3.33	-44.51
CCOC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651934	0	38	-1.0	-51.52	324.69	4.38	-47.14
CCOC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651934	1	38	-1.0	-51.56	324.75	4.39	-47.17
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCC(F)(F)CC2	REAL250004651935	0	39	-1.0	-49.08	319.18	5.29	-43.79
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCC(F)(F)CC2	REAL250004651935	1	39	-1.0	-49.10	319.23	5.31	-43.79
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCSCC2	REAL250004651936	0	37	-1.0	-48.74	306.38	4.80	-43.94
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCSCC2	REAL250004651936	1	37	-1.0	-48.74	306.44	4.81	-43.93
O=C(CCCC1=N[N-]N=N1)NCC1CC2C(C1)C2(F)F	REAL250004651937	0	36	-1.0	-47.29	304.06	3.94	-43.35
O=C(CCCC1=NN=N[N-]1)NCC1CC2C(C1)C2(F)F	REAL250004651937	1	36	-1.0	-47.29	304.11	3.95	-43.34
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004651938	0	36	-1.0	-48.29	302.56	3.41	-44.88
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004651938	1	36	-1.0	-48.30	302.61	3.43	-44.87
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCCCC1	REAL250004651939	0	34	-1.0	-61.75	287.04	1.70	-60.05
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCCCC1	REAL250004651939	1	34	-1.0	-61.77	287.10	1.72	-60.05
CC1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651940	0	38	-1.0	-46.07	304.43	3.79	-42.28
CC1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651940	1	38	-1.0	-46.11	304.49	3.80	-42.31
CC1CC(C)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651941	0	38	-1.0	-34.68	315.02	3.58	-31.10
CC1CC(C)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651941	1	38	-1.0	-34.71	315.09	3.58	-31.13
NC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651942	0	32	-1.0	-52.45	279.81	-2.23	-54.68
NC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651942	1	32	-1.0	-52.45	279.87	-2.22	-54.67
NC(=O)N1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651943	0	32	-1.0	-41.04	290.40	-2.44	-43.48
NC(=O)N1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651943	1	32	-1.0	-41.00	290.47	-2.43	-43.43
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=N1	REAL250004651944	0	36	-1.0	-48.95	302.43	2.20	-46.75
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=N1	REAL250004651944	1	36	-1.0	-48.99	302.48	2.22	-46.77
O=C(CCCC1=N[N-]N=N1)N1CCOCC(O)C1	REAL250004651945	0	34	-1.0	-50.90	275.27	-1.12	-52.02
O=C(CCCC1=NN=N[N-]1)N1CCOCC(O)C1	REAL250004651945	1	34	-1.0	-50.89	275.32	-1.11	-52.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC(O)C1	REAL250004651946	0	34	-1.0	-36.51	281.25	-0.08	-36.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC(O)C1	REAL250004651946	1	34	-1.0	-36.46	281.32	-0.06	-36.52
COCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651947	0	36	-1.0	-45.81	302.54	0.85	-44.96
COCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651947	1	36	-1.0	-45.82	302.59	0.87	-44.95
COCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651948	0	36	-1.0	-36.95	313.13	0.66	-36.29
COCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651948	1	36	-1.0	-36.91	313.20	0.68	-36.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004651949	0	35	-1.0	-48.17	302.97	4.38	-43.79
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004651949	1	35	-1.0	-48.19	303.03	4.39	-43.80
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NC2=C1CCCC2	REAL250004651950	0	39	-1.0	-58.70	318.52	6.80	-51.90
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NC2=C1CCCC2	REAL250004651950	1	39	-1.0	-58.72	318.57	6.82	-51.90
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004651951	0	34	-1.0	-50.61	277.93	0.83	-49.78
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004651951	1	34	-1.0	-50.62	277.99	0.85	-49.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004651952	0	34	-1.0	-37.89	285.29	1.00	-36.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004651952	1	34	-1.0	-37.84	285.36	1.01	-36.83
CC(CC(F)F)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651953	0	34	-1.0	-47.51	284.03	4.80	-42.71
CC(CC(F)F)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651953	1	34	-1.0	-47.53	284.08	4.81	-42.72
CC(CC(F)F)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651954	0	34	-1.0	-38.03	291.83	5.18	-32.85
CC(CC(F)F)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651954	1	34	-1.0	-38.04	291.90	5.21	-32.83
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1CCC1	REAL250004651955	0	39	-1.0	-49.81	327.00	0.89	-48.92
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1CCC1	REAL250004651955	1	39	-1.0	-49.82	327.06	0.91	-48.91
N#CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004651956	0	36	-1.0	-52.74	305.48	4.57	-48.17
N#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004651956	1	36	-1.0	-52.77	305.54	4.58	-48.19
C[C@H](CC1CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651957	0	38	-1.0	-53.49	316.41	6.70	-46.79
C[C@H](CC1CC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651957	1	38	-1.0	-53.30	316.51	6.72	-46.58
C[C@H](CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651958	0	35	-1.0	-35.61	302.63	3.58	-32.03
C[C@H](CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651958	1	35	-1.0	-35.59	302.70	3.60	-31.99
O=C(CCCC1=N[N-]N=N1)N1CCC12CCS(=O)(=O)C2	REAL250004651959	0	36	-1.0	-61.90	308.17	0.68	-61.22
O=C(CCCC1=NN=N[N-]1)N1CCC12CCS(=O)(=O)C2	REAL250004651959	1	36	-1.0	-61.93	308.23	0.69	-61.24
NC(=O)C1CNC(=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651960	0	34	-1.0	-52.32	283.14	-2.81	-55.13
NC(=O)C1CNC(=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651960	1	34	-1.0	-52.32	283.20	-2.80	-55.12
C=CCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651961	0	41	-1.0	-46.65	325.06	4.01	-42.64
C=CCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651961	1	41	-1.0	-46.67	325.12	4.02	-42.65
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NSN=C2C=C1	REAL250004651962	0	30	-1.0	-47.94	277.22	1.73	-46.21
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NSN=C2C=C1	REAL250004651962	1	30	-1.0	-47.91	277.17	1.71	-46.20
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(=O)NC2C1	REAL250004651963	0	40	-1.0	-51.99	317.24	1.82	-50.17
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(=O)NC2C1	REAL250004651963	1	40	-1.0	-52.00	317.30	1.83	-50.17
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004651964	0	38	-1.0	-46.06	313.92	4.84	-41.22
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004651964	1	38	-1.0	-46.11	313.97	4.85	-41.26
CCC=C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004651965	0	39	-1.0	-38.70	316.43	7.25	-31.45
CCC=C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004651965	1	39	-1.0	-38.51	316.47	7.25	-31.26
CCC=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004651966	0	36	-1.0	-35.86	303.24	5.03	-30.83
CCC=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004651966	1	36	-1.0	-35.78	303.31	5.04	-30.74
CCCCC(CC)NC(=O)CCCC1=N[N-]N=N1	REAL250004651967	0	40	-1.0	-46.19	317.27	4.40	-41.79
CCCCC(CC)NC(=O)CCCC1=NN=N[N-]1	REAL250004651967	1	40	-1.0	-46.19	317.32	4.42	-41.77
CCCCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651968	0	40	-1.0	-35.32	327.86	4.19	-31.13
CCCCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651968	1	40	-1.0	-35.33	327.92	4.20	-31.13
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2OC(=O)C[C@@H]12	REAL250004651969	0	33	-1.0	-57.62	283.37	2.32	-55.30
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2OC(=O)C[C@@H]12	REAL250004651969	1	33	-1.0	-57.64	283.43	2.33	-55.31
C=CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL250004651970	0	36	-1.0	-54.57	308.02	6.03	-48.54
C=CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL250004651970	1	36	-1.0	-54.33	308.09	6.05	-48.28
C=CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004651971	0	33	-1.0	-36.01	295.24	3.04	-32.97
C=CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004651971	1	33	-1.0	-36.03	295.31	3.04	-32.99
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(=O)NC2	REAL250004651972	0	40	-1.0	-47.63	300.39	2.21	-45.42
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(=O)NC2	REAL250004651972	1	40	-1.0	-47.65	300.45	2.22	-45.43
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CC=C1F	REAL250004651973	0	34	-1.0	-50.73	300.90	2.43	-48.30
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CC=C1F	REAL250004651973	1	34	-1.0	-50.74	300.96	2.45	-48.29
COC(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651974	0	38	-1.0	-53.16	322.70	3.31	-49.85
COC(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651974	1	38	-1.0	-53.19	322.76	3.32	-49.87
O=C(NC1C2C3CC1CC32)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651975	0	37	-1.0	-53.42	300.98	6.95	-46.47
O=C(NC1C2C3CC1CC32)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651975	1	37	-1.0	-53.31	301.45	6.95	-46.36
O=C(NC1C2C3CC1CC32)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651976	0	34	-1.0	-35.24	287.22	3.82	-31.42
O=C(NC1C2C3CC1CC32)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651976	1	34	-1.0	-35.22	287.29	3.84	-31.38
O=C(CCCC1=N[N-]N=N1)NCCCN1CCCNC1=O	REAL250004651977	0	41	-1.0	-54.74	337.24	0.83	-53.91
O=C(CCCC1=NN=N[N-]1)NCCCN1CCCNC1=O	REAL250004651977	1	41	-1.0	-54.79	337.30	0.85	-53.94
O=C(CCCC1=N[N-]N=N1)NC1CCCSCC1	REAL250004651978	0	36	-1.0	-46.42	293.96	3.39	-43.03
O=C(CCCC1=NN=N[N-]1)NC1CCCSCC1	REAL250004651978	1	36	-1.0	-46.39	294.02	3.41	-42.98
O=C(CCCC1=N[N-]N=N1)N1CCC(CCO)CC1	REAL250004651979	0	39	-1.0	-49.44	307.31	1.53	-47.91
O=C(CCCC1=NN=N[N-]1)N1CCC(CCO)CC1	REAL250004651979	1	39	-1.0	-49.46	307.37	1.54	-47.92
C=CCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651980	1	41	-1.0	-47.81	318.43	3.31	-44.50
C=CCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651980	1	41	-1.0	-47.84	318.48	3.33	-44.51
CC1=NN(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004651981	0	38	-1.0	-52.94	323.26	2.51	-50.43
CC1=NN(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004651981	1	38	-1.0	-53.00	323.32	2.53	-50.47
CCN1C=NN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651982	0	37	-1.0	-62.14	310.93	5.45	-56.69
CCN1C=NN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651982	1	37	-1.0	-62.15	310.99	5.47	-56.68
CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004651983	0	38	-1.0	-53.56	323.09	5.30	-48.26
CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004651983	1	38	-1.0	-53.57	323.15	5.31	-48.26
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)F)C1	REAL250004651984	0	35	-1.0	-50.13	296.86	4.46	-45.67
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)F)C1	REAL250004651984	1	35	-1.0	-50.14	296.92	4.47	-45.67
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(CO)C1=O	REAL250004651985	0	37	-1.0	-53.13	301.15	-0.67	-53.80
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(CO)C1=O	REAL250004651985	1	37	-1.0	-53.15	301.21	-0.66	-53.81
CC1=CN=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004651986	0	37	-1.0	-49.86	306.63	4.94	-44.92
CC1=CN=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004651986	1	37	-1.0	-49.87	306.69	4.95	-44.92
CC1(C)CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004651987	0	39	-1.0	-47.85	314.02	4.93	-42.92
CC1(C)CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004651987	1	39	-1.0	-47.86	314.07	4.95	-42.91
CC1(C)CC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL250004651988	0	39	-1.0	-36.72	321.29	4.91	-31.81
CC1(C)CC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL250004651988	1	39	-1.0	-36.72	321.35	4.92	-31.80
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)COCCO2	REAL250004651989	0	35	-1.0	-51.35	291.42	0.92	-50.43
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)COCCO2	REAL250004651989	1	35	-1.0	-51.36	291.47	0.93	-50.43
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=N2)=C1	REAL250004651990	0	35	-1.0	-54.42	307.05	2.59	-51.83
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CC=N2)=C1	REAL250004651990	1	35	-1.0	-54.45	307.11	2.60	-51.85
C#CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004651991	0	31	-1.0	-54.98	282.57	2.47	-52.51
C#CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004651991	1	31	-1.0	-54.96	282.51	2.46	-52.50
C#CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004651992	0	31	-1.0	-41.24	293.15	2.27	-38.97
C#CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004651992	1	31	-1.0	-41.28	293.08	2.26	-39.02
CC(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004651993	0	41	-1.0	-46.16	313.73	5.42	-40.74
CC(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004651993	1	41	-1.0	-46.15	313.79	5.43	-40.72
CCO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651994	0	45	-1.0	-48.36	346.28	3.66	-44.70
CCO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651994	1	45	-1.0	-48.38	346.34	3.67	-44.71
CCC1=C(C)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651995	0	35	-1.0	-54.26	296.81	2.93	-51.33
CCC1=C(C)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651995	1	35	-1.0	-54.28	296.87	2.94	-51.34
CCC1=C(C)NN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651996	0	35	-1.0	-40.88	308.31	2.75	-38.13
CCC1=C(C)NN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651996	1	35	-1.0	-40.86	308.38	2.77	-38.09
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=NC=CC=C21	REAL250004651997	0	38	-1.0	-48.36	307.58	3.39	-44.97
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=NC=CC=C21	REAL250004651997	1	38	-1.0	-48.36	307.64	3.41	-44.95
CCCCCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004651998	0	41	-1.0	-45.95	336.90	1.06	-44.89
CCCCCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004651998	1	41	-1.0	-45.99	336.96	1.08	-44.91
COC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004651999	0	33	-1.0	-45.15	291.17	2.97	-42.18
COC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004651999	1	33	-1.0	-45.10	291.23	2.98	-42.12
CC1CC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652000	0	42	-1.0	-45.65	320.96	5.74	-39.91
CC1CC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652000	1	42	-1.0	-45.62	321.01	5.76	-39.86
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004652001	0	36	-1.0	-46.41	277.14	2.33	-44.08
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004652001	1	36	-1.0	-46.41	277.20	2.34	-44.07
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004652002	0	36	-1.0	-36.27	290.14	3.40	-32.87
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004652002	1	36	-1.0	-36.26	290.21	3.42	-32.84
CC12CCCC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004652003	0	42	-1.0	-46.75	308.02	6.30	-40.45
CC12CCCC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004652003	1	42	-1.0	-46.76	308.08	6.32	-40.44
CC=CC=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652004	0	36	-1.0	-52.12	313.70	6.19	-45.93
CC=CC=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652004	1	36	-1.0	-51.94	313.77	6.21	-45.73
CC=CC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652005	0	33	-1.0	-35.10	299.55	3.10	-32.00
CC=CC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652005	1	33	-1.0	-35.03	299.61	3.11	-31.92
CC(C)N(CC1=CN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004652006	0	41	-1.0	-45.17	319.93	5.84	-39.33
CC(C)N(CC1=CN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004652006	1	41	-1.0	-45.13	319.99	5.85	-39.28
O=C(CCCC1=N[N-]N=N1)N1CCC2CC1C(=O)N2	REAL250004652007	0	34	-1.0	-54.38	275.91	0.69	-53.69
O=C(CCCC1=NN=N[N-]1)N1CCC2CC1C(=O)N2	REAL250004652007	1	34	-1.0	-54.43	275.97	0.70	-53.73
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC1C(=O)N2	REAL250004652008	0	34	-1.0	-42.29	283.36	1.05	-41.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC1C(=O)N2	REAL250004652008	1	34	-1.0	-42.25	283.42	1.06	-41.19
CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004652009	0	34	-1.0	-53.39	288.01	4.25	-49.14
CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004652009	1	34	-1.0	-53.44	288.07	4.27	-49.17
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL250004652010	0	34	-1.0	-39.88	298.60	4.04	-35.84
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL250004652010	1	34	-1.0	-39.86	298.67	4.05	-35.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CNN=C2)C=C1	REAL250004652011	0	36	-1.0	-51.04	310.42	3.32	-47.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CNN=C2)C=C1	REAL250004652011	1	36	-1.0	-51.03	310.48	3.34	-47.69
C[C@@H]1CCO[C@@H]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004652012	0	39	-1.0	-49.40	313.13	1.96	-47.44
C[C@@H]1CCO[C@@H]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004652012	1	39	-1.0	-49.42	313.19	1.97	-47.45
C[C@H](O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652013	0	36	-1.0	-48.82	304.00	1.61	-47.21
C[C@H](O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652013	1	36	-1.0	-48.80	304.05	1.64	-47.16
CNC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652014	0	35	-1.0	-52.82	301.74	-0.79	-53.61
CNC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652014	1	35	-1.0	-52.87	301.80	-0.78	-53.65
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004652015	0	42	-1.0	-48.01	333.05	6.94	-41.07
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004652015	1	42	-1.0	-48.06	333.11	6.96	-41.10
O=C(CCCC1=N[N-]N=N1)NC1=CNC2=CC=CC(F)=C12	REAL250004652016	0	33	-1.0	-47.23	289.61	3.48	-43.75
O=C(CCCC1=NN=N[N-]1)NC1=CNC2=CC=CC(F)=C12	REAL250004652016	1	33	-1.0	-47.24	289.67	3.49	-43.75
COC(=O)C1N(C(=O)CCCC2=N[N-]N=N2)CCC1(C)C	REAL250004652017	0	41	-1.0	-54.06	330.21	4.78	-49.28
COC(=O)C1N(C(=O)CCCC2=NN=N[N-]2)CCC1(C)C	REAL250004652017	1	41	-1.0	-54.07	330.27	4.79	-49.28
CN(CC1=NN(C)C=C1Cl)C(=O)CCCC1=N[N-]N=N1	REAL250004652018	0	35	-1.0	-52.70	316.36	3.79	-48.91
CN(CC1=NN(C)C=C1Cl)C(=O)CCCC1=NN=N[N-]1	REAL250004652018	1	35	-1.0	-52.73	316.41	3.81	-48.92
CCC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652019	0	37	-1.0	-48.06	308.83	3.44	-44.62
CCC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652019	1	37	-1.0	-48.10	308.89	3.45	-44.65
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CCCC1	REAL250004652020	0	35	-1.0	-48.30	291.43	3.37	-44.93
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CCCC1	REAL250004652020	1	35	-1.0	-48.26	291.49	3.38	-44.88
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC12CCC2	REAL250004652021	0	45	-1.0	-46.09	334.75	5.13	-40.96
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC12CCC2	REAL250004652021	1	45	-1.0	-46.09	334.81	5.15	-40.94
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=CN=CC2=N1	REAL250004652022	0	31	-1.0	-47.96	273.98	3.05	-44.91
O=C(CCCC1=N[N-]N=N1)NC1=CN2C=CN=CC2=N1	REAL250004652022	1	31	-1.0	-47.94	273.92	3.04	-44.90
CCN(CCOCCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004652023	0	42	-1.0	-46.45	344.09	2.90	-43.55
CCN(CCOCCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004652023	1	42	-1.0	-46.52	344.15	2.92	-43.60
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004652024	0	32	-1.0	-47.04	284.03	3.93	-43.11
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004652024	1	32	-1.0	-47.04	284.09	3.94	-43.10
CC1=NN(C(F)F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652025	0	32	-1.0	-50.73	289.33	1.91	-48.82
CC1=NN(C(F)F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652025	1	32	-1.0	-50.78	289.38	1.93	-48.85
CCN1C=NC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004652026	0	38	-1.0	-52.71	315.45	5.73	-46.98
CCN1C=NC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004652026	1	38	-1.0	-52.73	315.51	5.74	-46.99
CC12CCCCC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004652027	0	45	-1.0	-46.22	320.45	6.43	-39.79
CC12CCCCC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004652027	1	45	-1.0	-46.21	320.51	6.45	-39.76
CCN(CCOC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004652028	0	44	-1.0	-45.50	344.77	4.79	-40.71
CCN(CCOC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004652028	1	44	-1.0	-45.55	344.83	4.81	-40.74
CN1N=CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004652029	0	29	-1.0	-53.25	266.48	2.17	-51.08
CN1N=CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004652029	1	29	-1.0	-53.28	266.54	2.19	-51.09
CC(C)N1C=CN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004652031	0	41	-1.0	-57.16	334.82	5.32	-51.84
CC(C)N1C=CN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004652031	1	41	-1.0	-57.19	334.88	5.34	-51.85
CCS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004652032	0	36	-1.0	-61.60	299.81	2.03	-59.57
CCS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004652032	1	36	-1.0	-61.59	299.87	2.04	-59.55
C=CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004652033	0	39	-1.0	-54.87	313.10	7.24	-47.63
C=CC1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004652033	1	39	-1.0	-53.60	313.20	7.32	-46.28
C=CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004652034	0	36	-1.0	-35.42	298.55	4.96	-30.46
C=CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004652034	1	36	-1.0	-35.42	298.61	4.96	-30.46
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004652035	0	42	-1.0	-46.77	321.23	3.80	-42.97
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004652035	1	42	-1.0	-46.70	321.28	3.82	-42.88
O=C(CCCC1=N[N-]N=N1)N1CC(=O)NC2(CC2)C1	REAL250004652036	0	34	-1.0	-47.77	285.85	1.02	-46.75
O=C(CCCC1=NN=N[N-]1)N1CC(=O)NC2(CC2)C1	REAL250004652036	1	34	-1.0	-47.74	285.91	1.04	-46.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(=O)NC2(CC2)C1	REAL250004652037	0	34	-1.0	-39.33	293.27	1.26	-38.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(=O)NC2(CC2)C1	REAL250004652037	1	34	-1.0	-39.30	293.34	1.27	-38.03
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1C1CC1	REAL250004652038	1	41	-1.0	-46.36	320.17	3.13	-43.23
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1C1CC1	REAL250004652038	1	41	-1.0	-46.36	320.23	3.15	-43.21
COC(=O)C(CCC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004652039	0	43	-1.0	-50.10	354.90	4.51	-45.59
COC(=O)C(CCC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004652039	1	43	-1.0	-50.15	354.96	4.53	-45.62
COC(=O)C12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004652040	0	36	-1.0	-48.90	311.33	2.81	-46.09
COC(=O)C12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004652040	1	36	-1.0	-48.94	311.39	2.82	-46.12
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=NNC=C2)C1	REAL250004652041	0	37	-1.0	-57.32	313.71	-0.50	-57.82
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=NNC=C2)C1	REAL250004652041	1	37	-1.0	-57.34	313.77	-0.49	-57.83
COCC(C)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004652042	0	39	-1.0	-48.64	317.50	-1.31	-49.95
COCC(C)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004652042	1	39	-1.0	-48.63	317.56	-1.29	-49.92
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652043	0	36	-1.0	-57.06	290.74	2.84	-54.22
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652043	1	36	-1.0	-56.85	290.80	2.87	-53.98
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652044	0	33	-1.0	-37.59	276.86	0.66	-36.93
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652044	1	33	-1.0	-37.55	276.93	0.66	-36.89
CCC(CCC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004652045	0	40	-1.0	-48.11	329.73	3.64	-44.47
CCC(CCC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004652045	1	40	-1.0	-48.15	329.79	3.66	-44.49
CC(C)(C)C1=NOC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652047	0	40	-1.0	-46.57	325.74	3.86	-42.71
CC(C)(C)C1=NOC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652047	1	40	-1.0	-46.56	325.69	3.85	-42.71
CC1(C(F)F)COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004652048	0	36	-1.0	-47.74	289.62	2.69	-45.05
CC1(C(F)F)COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004652048	1	36	-1.0	-47.71	289.68	2.71	-45.00
CC(C)(C)C1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652049	0	40	-1.0	-47.68	324.73	3.90	-43.78
CC(C)(C)C1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652049	1	40	-1.0	-47.68	324.68	3.89	-43.79
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C(F)=C1	REAL250004652050	0	32	-1.0	-46.35	301.68	4.05	-42.30
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C(F)=C1	REAL250004652050	1	32	-1.0	-46.38	301.74	4.06	-42.32
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=CC(=O)N2)C1	REAL250004652051	0	36	-1.0	-53.19	300.26	2.61	-50.58
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=CC(=O)N2)C1	REAL250004652051	1	36	-1.0	-53.19	300.32	2.62	-50.57
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCCCCC1	REAL250004652052	0	37	-1.0	-63.15	298.19	2.40	-60.75
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCCCCC1	REAL250004652052	1	37	-1.0	-63.17	298.25	2.42	-60.75
O=C(CCCC1=N[N-]N=N1)NCC[C@@H](O)C1=CC=CC=C1	REAL250004652053	0	39	-1.0	-49.75	329.37	1.88	-47.87
O=C(CCCC1=NN=N[N-]1)NCC[C@@H](O)C1=CC=CC=C1	REAL250004652053	1	39	-1.0	-49.76	329.43	1.90	-47.86
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC2C=CC1C2	REAL250004652054	0	41	-1.0	-48.22	319.83	1.99	-46.23
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC2C=CC1C2	REAL250004652054	1	41	-1.0	-48.25	319.89	2.01	-46.24
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652055	0	35	-1.0	-46.66	297.10	4.43	-42.23
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652055	1	35	-1.0	-46.64	297.16	4.45	-42.19
CCC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652056	0	34	-1.0	-47.06	306.80	1.99	-45.07
CCC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652056	1	34	-1.0	-47.05	306.86	2.01	-45.04
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004652057	0	42	-1.0	-48.86	339.94	-0.65	-49.51
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004652057	1	42	-1.0	-48.84	339.99	-0.64	-49.48
CC1(C(O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652058	0	36	-1.0	-45.78	299.17	-0.15	-45.93
CC1(C(O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652058	1	36	-1.0	-45.79	299.23	-0.13	-45.92
CC1(C(O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004652059	0	36	-1.0	-35.91	311.11	-0.17	-36.08
CC1(C(O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004652059	1	36	-1.0	-35.89	311.17	-0.17	-36.06
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004652060	0	38	-1.0	-46.14	298.43	5.22	-40.92
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004652060	1	38	-1.0	-46.19	298.48	5.24	-40.95
CC1N(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004652061	0	32	-1.0	-47.38	271.77	3.70	-43.68
CC1N(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004652061	1	32	-1.0	-47.45	271.83	3.71	-43.74
CC1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(F)F	REAL250004652062	0	32	-1.0	-34.52	279.09	3.95	-30.57
CC1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL250004652062	1	32	-1.0	-34.55	279.16	3.95	-30.60
CC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652063	0	33	-1.0	-48.16	290.43	0.38	-47.78
CC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652063	1	33	-1.0	-48.17	290.49	0.39	-47.78
CC1=CN=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004652064	0	33	-1.0	-38.27	301.02	0.17	-38.10
CC1=CN=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004652064	1	33	-1.0	-38.24	301.09	0.17	-38.07
CC(C)(C)C(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004652065	0	45	-1.0	-48.82	356.83	-0.11	-48.93
CC(C)(C)C(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004652065	1	45	-1.0	-48.83	356.89	-0.09	-48.92
CC(C)(C)CC(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004652066	0	44	-1.0	-46.95	338.19	1.49	-45.46
CC(C)(C)CC(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004652066	1	44	-1.0	-46.95	338.25	1.50	-45.45
CC1(C2COCCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652067	0	40	-1.0	-44.70	303.09	3.58	-41.12
CC1(C2COCCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652067	1	40	-1.0	-44.68	303.15	3.60	-41.08
O=C(CCCC1=NN=N[N-]1)NCCCOC1=CC=CC=N1	REAL250004652068	0	38	-1.0	-50.71	328.10	1.29	-49.42
O=C(CCCC1=N[N-]N=N1)NCCCOC1=CC=CC=N1	REAL250004652068	1	38	-1.0	-50.64	328.05	1.27	-49.37
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC2=CC=CC=C21	REAL250004652069	0	39	-1.0	-49.01	312.23	5.16	-43.85
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC2=CC=CC=C21	REAL250004652069	1	39	-1.0	-49.03	312.29	5.17	-43.86
O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H](O)[C@@H]2CCC[C@@H]21	REAL250004652070	0	37	-1.0	-46.49	287.66	1.71	-44.78
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H](O)[C@@H]2CCC[C@@H]21	REAL250004652070	1	37	-1.0	-46.54	287.72	1.72	-44.82
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652071	0	34	-1.0	-52.82	294.24	-0.42	-53.24
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652071	1	34	-1.0	-52.75	294.30	-0.40	-53.15
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004652072	0	34	-1.0	-40.90	304.93	-0.73	-41.63
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004652072	1	34	-1.0	-40.95	305.00	-0.72	-41.67
COC1(OC)CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652073	0	43	-1.0	-47.01	342.59	2.25	-44.76
COC1(OC)CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652073	1	43	-1.0	-47.02	342.65	2.27	-44.75
CC1(C)CC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652074	0	36	-1.0	-47.73	289.19	0.78	-46.95
CC1(C)CC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652074	1	36	-1.0	-47.72	289.25	0.79	-46.93
CC1(C)CC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652075	0	36	-1.0	-36.54	296.43	1.04	-35.50
CC1(C)CC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652075	1	36	-1.0	-36.56	296.50	1.04	-35.52
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC12CCOCC2	REAL250004652076	0	41	-1.0	-49.32	306.83	0.56	-48.76
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC12CCOCC2	REAL250004652076	1	41	-1.0	-49.33	306.89	0.58	-48.75
C=C1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CC2)C1	REAL250004652077	0	37	-1.0	-46.11	296.10	5.28	-40.83
C=C1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CC2)C1	REAL250004652077	1	37	-1.0	-46.08	296.16	5.29	-40.79
C=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CC2)C1	REAL250004652078	0	37	-1.0	-35.06	304.08	5.56	-29.50
C=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CC2)C1	REAL250004652078	1	37	-1.0	-35.04	304.14	5.57	-29.47
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1CCCCC1	REAL250004652079	0	45	-1.0	-46.80	346.22	2.65	-44.15
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1CCCCC1	REAL250004652079	1	45	-1.0	-46.81	346.27	2.66	-44.15
CC1(C)OCC(CNC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004652080	0	40	-1.0	-47.05	318.74	1.40	-45.65
CC1(C)OCC(CNC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004652080	1	40	-1.0	-47.09	318.79	1.41	-45.68
N#CC12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004652082	0	35	-1.0	-48.92	305.16	1.43	-47.49
N#CC12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004652082	1	35	-1.0	-48.97	305.22	1.44	-47.53
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCCCC2	REAL250004652083	0	45	-1.0	-45.45	320.16	6.43	-39.02
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCCCC2	REAL250004652083	1	45	-1.0	-45.47	320.22	6.44	-39.03
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(F)CC12CC2	REAL250004652084	0	36	-1.0	-45.76	295.23	4.96	-40.80
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(F)CC12CC2	REAL250004652084	1	36	-1.0	-45.77	295.29	4.97	-40.80
NC(=O)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004652087	0	33	-1.0	-52.43	290.75	-2.73	-55.16
NC(=O)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004652087	1	33	-1.0	-52.46	290.80	-2.72	-55.18
NC(=O)OCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652088	0	33	-1.0	-40.30	301.34	-2.94	-43.24
NC(=O)OCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652088	1	33	-1.0	-40.25	301.41	-2.93	-43.18
CN(C)C(=O)CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004652089	0	44	-1.0	-52.46	361.70	3.08	-49.38
CN(C)C(=O)CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004652089	1	44	-1.0	-52.50	361.76	3.10	-49.40
CC1=NC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004652090	0	38	-1.0	-52.19	326.76	2.97	-49.22
CC1=NC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004652090	1	38	-1.0	-52.22	326.82	2.98	-49.24
CC1=NC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2N1	REAL250004652090	1	38	-1.0	-50.72	326.78	2.97	-47.75
CC1=NC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2N1	REAL250004652090	1	38	-1.0	-50.69	326.84	2.99	-47.70
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004652091	0	39	-1.0	-52.46	329.56	2.58	-49.88
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004652091	1	39	-1.0	-52.43	329.62	2.59	-49.84
O=C(CCCC1=N[N-]N=N1)N1CC2(CC2)CC1CO	REAL250004652092	0	37	-1.0	-49.55	300.60	3.18	-46.37
O=C(CCCC1=NN=N[N-]1)N1CC2(CC2)CC1CO	REAL250004652092	1	37	-1.0	-49.56	300.66	3.20	-46.36
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004652093	0	41	-1.0	-46.71	331.82	3.65	-43.06
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004652093	1	41	-1.0	-46.74	331.88	3.66	-43.08
COC(=O)C1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652094	0	38	-1.0	-50.73	318.38	3.52	-47.21
COC(=O)C1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652094	1	38	-1.0	-50.74	318.44	3.53	-47.21
C[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1(F)F	REAL250004652095	0	32	-1.0	-48.10	282.61	2.80	-45.30
C[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1(F)F	REAL250004652095	1	32	-1.0	-48.07	282.67	2.82	-45.25
C[C@@H]1[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(F)F	REAL250004652096	0	32	-1.0	-37.04	293.20	2.60	-34.44
C[C@@H]1[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(F)F	REAL250004652096	1	32	-1.0	-37.02	293.27	2.60	-34.42
C=CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004652097	0	41	-1.0	-44.76	341.84	4.43	-40.33
C=CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004652097	1	41	-1.0	-44.74	341.90	4.44	-40.30
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004652098	0	42	-1.0	-48.53	352.62	7.88	-40.65
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004652098	1	42	-1.0	-48.57	352.68	7.90	-40.67
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC(O)C1	REAL250004652099	0	36	-1.0	-53.47	309.22	-1.02	-54.49
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC(O)C1	REAL250004652099	1	36	-1.0	-53.51	309.28	-1.00	-54.51
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@H](C)O	REAL250004652100	0	35	-1.0	-44.77	295.53	-0.60	-45.37
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@H](C)O	REAL250004652100	1	35	-1.0	-44.79	295.59	-0.59	-45.38
O=C(CCCC1=N[N-]N=N1)NCCC1CC2(CCC2)C1	REAL250004652101	0	42	-1.0	-46.66	337.78	5.17	-41.49
O=C(CCCC1=NN=N[N-]1)NCCC1CC2(CCC2)C1	REAL250004652101	1	42	-1.0	-46.68	337.84	5.18	-41.50
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CN=C1Cl	REAL250004652102	0	34	-1.0	-52.22	308.37	2.79	-49.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CN=C1Cl	REAL250004652102	1	34	-1.0	-52.21	308.31	2.77	-49.44
CCOC(=O)[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004652103	0	35	-1.0	-46.36	305.81	-0.91	-47.27
CCOC(=O)[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004652103	1	35	-1.0	-46.38	305.87	-0.90	-47.28
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)N(C)N=C1	REAL250004652104	0	35	-1.0	-48.12	296.84	3.24	-44.88
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)N(C)N=C1	REAL250004652104	1	35	-1.0	-48.11	296.78	3.23	-44.88
CCC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C)N=C1	REAL250004652105	0	35	-1.0	-35.65	303.42	3.07	-32.58
CCC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N(C)N=C1	REAL250004652105	1	35	-1.0	-35.66	303.35	3.05	-32.61
CN1N=C2CCOCC2=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652106	0	37	-1.0	-48.85	303.79	1.85	-47.00
CN1N=C2CCOCC2=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652106	1	37	-1.0	-48.84	303.85	1.86	-46.98
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCCCC1	REAL250004652108	0	47	-1.0	-46.55	340.87	6.81	-39.74
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCCCC1	REAL250004652108	1	47	-1.0	-46.54	340.92	6.83	-39.71
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)C1	REAL250004652109	0	39	-1.0	-47.36	300.97	5.24	-42.12
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)C1	REAL250004652109	1	39	-1.0	-47.40	301.03	5.26	-42.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CCC2)C1	REAL250004652110	0	39	-1.0	-35.72	310.42	5.51	-30.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CCC2)C1	REAL250004652110	1	39	-1.0	-35.72	310.49	5.52	-30.20
COC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCC2CC21	REAL250004652111	0	39	-1.0	-47.96	314.83	4.66	-43.30
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC2CC21	REAL250004652111	1	39	-1.0	-47.98	314.89	4.67	-43.31
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004652112	0	35	-1.0	-48.80	299.62	2.43	-46.37
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004652112	1	35	-1.0	-48.84	299.68	2.44	-46.40
CC1=NC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004652113	0	35	-1.0	-38.96	309.35	2.18	-36.78
CC1=NC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004652113	1	35	-1.0	-38.97	309.42	2.19	-36.78
CC1(C)CC1(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004652114	0	39	-1.0	-49.21	318.22	0.32	-48.89
CC1(C)CC1(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004652114	1	39	-1.0	-49.23	318.27	0.34	-48.89
CCC1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652115	0	39	-1.0	-49.42	303.13	3.46	-45.96
CCC1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652115	1	39	-1.0	-49.41	303.18	3.48	-45.93
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C(=O)N1	REAL250004652116	0	34	-1.0	-46.55	293.44	3.05	-43.50
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C(=O)N1	REAL250004652116	1	34	-1.0	-46.56	293.49	3.07	-43.49
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(Cl)=C1	REAL250004652117	0	29	-1.0	-45.22	286.11	3.03	-42.19
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(Cl)=C1	REAL250004652117	1	29	-1.0	-45.23	286.16	3.04	-42.19
CC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004652118	0	36	-1.0	-46.72	290.01	2.77	-43.95
CC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004652118	1	36	-1.0	-46.73	290.06	2.79	-43.94
CC[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004652119	0	36	-1.0	-34.75	297.64	3.02	-31.73
CC[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004652119	1	36	-1.0	-34.69	297.71	3.04	-31.65
O=C(CCCC1=N[N-]N=N1)N1CC=CCC2(CCCC2)C1	REAL250004652120	0	43	-1.0	-47.37	322.01	6.57	-40.80
O=C(CCCC1=NN=N[N-]1)N1CC=CCC2(CCCC2)C1	REAL250004652120	1	43	-1.0	-47.39	322.07	6.58	-40.81
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CCOC2	REAL250004652121	0	40	-1.0	-47.93	322.61	2.34	-45.59
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CCOC2	REAL250004652121	1	40	-1.0	-47.93	322.67	2.35	-45.58
CCC1=NC=CN1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004652122	0	41	-1.0	-54.35	337.43	4.10	-50.25
CCC1=NC=CN1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004652122	1	41	-1.0	-54.36	337.48	4.11	-50.25
CN(C)[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004652125	1	38	-1.0	-46.30	306.57	-1.26	-47.56
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(O)C2	REAL250004652126	0	40	-1.0	-48.83	302.60	2.39	-46.44
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(O)C2	REAL250004652126	1	40	-1.0	-48.84	302.66	2.41	-46.43
CC1=NN=C([C@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2)O1	REAL250004652127	0	37	-1.0	-50.88	318.68	-1.45	-52.33
CC1=NN=C([C@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2)O1	REAL250004652127	1	37	-1.0	-50.89	318.74	-1.44	-52.33
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CNC=C2N=N1	REAL250004652128	0	31	-1.0	-79.00	276.34	1.79	-77.21
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CNC=C2N=N1	REAL250004652128	1	31	-1.0	-79.03	276.39	1.80	-77.23
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CN=CC2=NN1	REAL250004652128	1	31	-1.0	-48.90	274.29	1.48	-47.42
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CN=CC2=NN1	REAL250004652128	1	31	-1.0	-48.93	274.34	1.51	-47.42
O=C(CCCC1=N[N-]N=N1)N1CCN(CC(F)F)CC1	REAL250004652129	0	37	-1.0	-49.70	294.84	1.72	-47.98
O=C(CCCC1=NN=N[N-]1)N1CCN(CC(F)F)CC1	REAL250004652129	1	37	-1.0	-49.71	294.90	1.73	-47.98
COC(=O)C(C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004652130	0	32	-1.0	-57.48	288.00	2.81	-54.67
COC(=O)C(C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004652130	1	32	-1.0	-57.49	288.06	2.82	-54.67
COC(=O)C(C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652131	0	32	-1.0	-41.13	298.59	2.60	-38.53
COC(=O)C(C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652131	1	32	-1.0	-41.11	298.66	2.60	-38.51
CCC1=NC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652132	0	34	-1.0	-47.82	293.57	3.21	-44.61
CCC1=NC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652132	1	34	-1.0	-47.83	293.62	3.22	-44.61
CN(CCC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004652133	0	38	-1.0	-48.99	325.09	6.44	-42.55
CN(CCC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004652133	1	38	-1.0	-48.97	325.14	6.46	-42.51
COC1C2CCCC2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652134	0	40	-1.0	-47.80	317.63	3.07	-44.73
COC1C2CCCC2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652134	1	40	-1.0	-47.84	317.69	3.09	-44.75
CN(CCNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004652135	0	36	-1.0	-52.42	315.03	-1.54	-53.96
CN(CCNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004652135	1	36	-1.0	-52.44	315.09	-1.53	-53.97
O=C(CCCC1=N[N-]N=N1)NCC1=CC(C2CCC2)=NN1	REAL250004652136	0	39	-1.0	-46.28	326.20	2.36	-43.92
O=C(CCCC1=NN=N[N-]1)NCC1=CC(C2CCC2)=NN1	REAL250004652136	1	39	-1.0	-46.31	326.26	2.38	-43.93
O=C(CCCC1=NN=N[N-]1)NC1=CON=C1C1=CC=CC=C1	REAL250004652137	0	35	-1.0	-46.64	306.53	4.56	-42.08
O=C(CCCC1=N[N-]N=N1)NC1=CON=C1C1=CC=CC=C1	REAL250004652137	1	35	-1.0	-46.60	306.47	4.55	-42.05
O=C(NC1CC2(C1)N=N2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652138	0	29	-1.0	-35.52	269.56	-3.32	-38.84
O=C(NC1CC2(C1)N=N2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652138	1	29	-1.0	-35.51	269.63	-3.32	-38.83
CC(C)(C)OCCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004652139	0	45	-1.0	-48.25	344.99	5.67	-42.58
CC(C)(C)OCCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004652139	1	45	-1.0	-48.25	345.04	5.68	-42.57
O=C(CCCC1=N[N-]N=N1)N[C@@H](C1=CC=CC=C1)C(F)F	REAL250004652140	0	35	-1.0	-45.41	307.53	4.52	-40.89
O=C(CCCC1=NN=N[N-]1)N[C@@H](C1=CC=CC=C1)C(F)F	REAL250004652140	1	35	-1.0	-45.42	307.59	4.55	-40.87
C[C@@H]1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004652141	0	33	-1.0	-45.16	271.30	4.08	-41.08
C[C@@H]1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004652141	1	33	-1.0	-45.16	271.35	4.09	-41.07
C[C@@H]1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652142	0	33	-1.0	-33.92	279.75	4.25	-29.67
C[C@@H]1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652142	1	33	-1.0	-33.85	279.82	4.25	-29.60
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)NC(=O)NC2=O	REAL250004652143	0	35	-1.0	-50.61	299.74	-2.37	-52.98
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)NC(=O)NC2=O	REAL250004652143	1	35	-1.0	-50.64	299.79	-2.36	-53.00
CCC1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652144	0	41	-1.0	-45.26	310.68	5.47	-39.79
CCC1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652144	1	41	-1.0	-45.31	310.73	5.49	-39.82
C=CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004652145	0	42	-1.0	-48.29	351.64	7.78	-40.51
C=CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004652145	1	42	-1.0	-48.28	351.70	7.79	-40.49
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC2CCC1C2	REAL250004652146	0	43	-1.0	-49.17	327.86	1.43	-47.74
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC2CCC1C2	REAL250004652146	1	43	-1.0	-49.24	327.92	1.45	-47.79
O=C(CCCC1=N[N-]N=N1)N1CCCCC2(CCCC2)C1	REAL250004652147	0	45	-1.0	-47.15	328.31	6.97	-40.18
O=C(CCCC1=NN=N[N-]1)N1CCCCC2(CCCC2)C1	REAL250004652147	1	45	-1.0	-47.14	328.37	6.99	-40.15
CC1=NC(C(=O)CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004652148	0	33	-1.0	-48.19	307.45	1.28	-46.91
CC1=NC(C(=O)CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004652148	1	33	-1.0	-48.17	307.51	1.30	-46.87
CN1N=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004652149	0	35	-1.0	-50.08	302.50	3.29	-46.79
CN1N=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004652149	1	35	-1.0	-50.03	302.45	3.27	-46.76
CC1(C)COCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652150	0	42	-1.0	-47.36	321.85	2.27	-45.09
CC1(C)COCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652150	1	42	-1.0	-47.39	321.91	2.28	-45.11
COC[C@@H](CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004652151	0	36	-1.0	-47.21	304.31	-0.32	-47.53
COC[C@@H](CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004652151	1	36	-1.0	-47.23	304.36	-0.30	-47.53
COC[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004652152	0	36	-1.0	-36.53	315.02	-0.56	-37.09
COC[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004652152	1	36	-1.0	-36.48	315.09	-0.56	-37.04
CC1N(C(=O)CCCC2=N[N-]N=N2)CCCC1(C)C	REAL250004652153	0	41	-1.0	-47.61	305.24	5.38	-42.23
CC1N(C(=O)CCCC2=NN=N[N-]2)CCCC1(C)C	REAL250004652153	1	41	-1.0	-47.63	305.30	5.39	-42.24
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004652154	0	41	-1.0	-50.15	330.68	4.06	-46.09
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004652154	1	41	-1.0	-50.23	330.74	4.08	-46.15
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCC(=O)N2	REAL250004652155	0	34	-1.0	-55.15	289.78	0.29	-54.86
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCC(=O)N2	REAL250004652155	1	34	-1.0	-55.12	289.84	0.31	-54.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCC(=O)N2	REAL250004652156	0	34	-1.0	-44.46	297.90	0.19	-44.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCC(=O)N2	REAL250004652156	1	34	-1.0	-44.43	297.97	0.21	-44.22
CC1(C)CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004652157	0	42	-1.0	-46.76	332.29	4.78	-41.98
CC1(C)CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004652157	1	42	-1.0	-46.76	332.35	4.80	-41.96
CC1(C)C=CC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652158	0	39	-1.0	-47.39	310.86	4.09	-43.30
CC1(C)C=CC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652158	1	39	-1.0	-47.38	310.92	4.10	-43.28
CC1(C)C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004652159	0	39	-1.0	-35.55	321.44	3.88	-31.67
CC1(C)C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004652159	1	39	-1.0	-35.62	321.51	3.88	-31.74
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCCC2C1	REAL250004652160	0	42	-1.0	-46.44	314.84	5.53	-40.91
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCCC2C1	REAL250004652160	1	42	-1.0	-46.43	314.89	5.55	-40.88
CC(C)(C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004652161	0	38	-1.0	-49.73	307.67	-0.27	-50.00
CC(C)(C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004652161	1	38	-1.0	-49.76	307.72	-0.26	-50.02
O=C(CCCC1=N[N-]N=N1)NC1CCC2COCCC2C1	REAL250004652164	0	43	-1.0	-46.93	329.80	3.49	-43.44
O=C(CCCC1=NN=N[N-]1)NC1CCC2COCCC2C1	REAL250004652164	1	43	-1.0	-46.94	329.86	3.51	-43.43
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCCC2)C1	REAL250004652165	0	42	-1.0	-46.87	324.17	4.79	-42.08
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCCC2)C1	REAL250004652165	1	42	-1.0	-46.84	324.23	4.81	-42.03
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1CC2F	REAL250004652166	0	36	-1.0	-46.54	292.60	3.66	-42.88
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1CC2F	REAL250004652166	1	36	-1.0	-46.54	292.66	3.68	-42.86
CCOC[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652167	0	38	-1.0	-51.49	317.95	4.37	-47.12
CCOC[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652167	1	38	-1.0	-51.32	318.05	4.39	-46.93
CCOC[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652168	0	35	-1.0	-35.94	304.17	1.25	-34.69
CCOC[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652168	1	35	-1.0	-35.90	304.23	1.26	-34.64
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004652169	0	37	-1.0	-47.83	316.98	3.04	-44.79
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004652169	1	37	-1.0	-47.79	317.04	3.05	-44.74
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@@H](C)OC	REAL250004652170	0	38	-1.0	-45.01	317.96	1.16	-43.85
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@@H](C)OC	REAL250004652170	1	38	-1.0	-45.03	318.02	1.17	-43.86
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2CCCC2=N1	REAL250004652171	0	38	-1.0	-48.95	319.56	3.49	-45.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2CCCC2=N1	REAL250004652171	1	38	-1.0	-48.91	319.62	3.51	-45.40
O=C(CCCC1=N[N-]N=N1)NCC1CCCC12CCC2	REAL250004652172	0	42	-1.0	-46.34	326.48	4.75	-41.59
O=C(CCCC1=NN=N[N-]1)NCC1CCCC12CCC2	REAL250004652172	1	42	-1.0	-46.35	326.54	4.76	-41.59
CC(C)(C)OC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652173	0	45	-1.0	-48.52	358.04	3.63	-44.89
CC(C)(C)OC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652173	1	45	-1.0	-48.52	358.10	3.64	-44.88
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2NC(=O)C[C@@H]21	REAL250004652174	0	37	-1.0	-51.97	296.95	1.23	-50.74
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2NC(=O)C[C@@H]21	REAL250004652174	1	37	-1.0	-51.96	297.01	1.25	-50.71
CCC1=NOC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652175	0	31	-1.0	-46.33	271.06	2.12	-44.21
CCC1=NOC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652175	1	31	-1.0	-46.39	271.12	2.14	-44.25
CCC1=NOC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652176	0	34	-1.0	-50.68	295.42	5.04	-45.64
CCC1=NOC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652176	1	34	-1.0	-50.46	295.52	5.06	-45.40
CCC1=NOC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652177	0	31	-1.0	-34.08	281.63	1.92	-32.16
CCC1=NOC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652177	1	31	-1.0	-34.10	281.70	1.94	-32.16
CC12CCC(CC1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004652178	0	39	-1.0	-46.71	295.50	5.18	-41.53
CC12CCC(CC1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004652178	1	39	-1.0	-46.71	295.56	5.19	-41.52
CC12CCC(CC1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652179	0	39	-1.0	-36.19	301.92	5.47	-30.72
CC12CCC(CC1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652179	1	39	-1.0	-36.16	301.98	5.48	-30.68
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2CCCCC2=C1	REAL250004652180	0	42	-1.0	-46.08	341.78	5.97	-40.11
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2CCCCC2=C1	REAL250004652180	1	42	-1.0	-46.08	341.84	5.98	-40.10
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004652181	0	35	-1.0	-48.16	303.00	4.38	-43.78
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004652181	1	35	-1.0	-48.17	303.06	4.40	-43.77
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=NSC2=C1	REAL250004652182	0	31	-1.0	-54.49	284.54	3.51	-50.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=NSC2=C1	REAL250004652182	1	31	-1.0	-54.44	284.49	3.49	-50.95
O=C(CCCC1=N[N-]N=N1)N1CC2COCC(C1)C(=O)N2	REAL250004652183	0	38	-1.0	-49.46	295.85	0.95	-48.51
O=C(CCCC1=NN=N[N-]1)N1CC2COCC(C1)C(=O)N2	REAL250004652183	1	38	-1.0	-49.42	295.91	0.96	-48.46
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCC2)C1O	REAL250004652184	0	43	-1.0	-47.11	340.47	1.74	-45.37
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCC2)C1O	REAL250004652184	1	43	-1.0	-47.12	340.53	1.76	-45.36
CC1(C)CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652185	0	44	-1.0	-46.06	327.89	4.47	-41.59
CC1(C)CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652185	1	44	-1.0	-46.05	327.95	4.49	-41.56
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004652186	0	35	-1.0	-46.11	303.01	4.38	-41.73
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004652186	1	35	-1.0	-46.14	303.07	4.40	-41.74
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCOCC2=C1	REAL250004652187	0	34	-1.0	-49.71	287.70	1.32	-48.39
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCOCC2=C1	REAL250004652187	1	34	-1.0	-49.70	287.76	1.34	-48.36
O=C(CCCC1=N[N-]N=N1)NCC1=CON=C1C1CCC1	REAL250004652188	0	38	-1.0	-46.88	323.79	3.55	-43.33
O=C(CCCC1=NN=N[N-]1)NCC1=CON=C1C1CCC1	REAL250004652188	1	38	-1.0	-46.89	323.84	3.56	-43.33
CC(C)(C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652189	0	41	-1.0	-47.31	322.25	5.03	-42.28
CC(C)(C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652189	1	41	-1.0	-47.29	322.31	5.04	-42.25
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCSCC1	REAL250004652190	0	40	-1.0	-49.51	315.94	1.44	-48.07
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCSCC1	REAL250004652190	1	40	-1.0	-49.57	316.00	1.45	-48.12
CC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652191	0	39	-1.0	-47.07	300.46	1.29	-45.78
CC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652191	1	39	-1.0	-47.05	300.52	1.31	-45.74
CC(C)(CO)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004652192	0	39	-1.0	-47.72	312.12	-3.36	-51.08
CC(C)(CO)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004652192	1	39	-1.0	-47.72	312.18	-3.34	-51.06
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004652193	0	32	-1.0	-50.19	281.58	5.15	-45.04
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004652193	1	32	-1.0	-50.19	281.64	5.18	-45.01
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=C1	REAL250004652194	0	32	-1.0	-34.54	279.17	5.18	-29.36
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=C1	REAL250004652194	1	32	-1.0	-34.51	279.24	5.19	-29.32
C#CC(CC1CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652195	0	37	-1.0	-53.87	322.65	7.05	-46.82
C#CC(CC1CC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652195	1	37	-1.0	-53.69	322.74	7.08	-46.61
C#CC(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652196	0	34	-1.0	-36.20	308.35	4.05	-32.15
C#CC(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652196	1	34	-1.0	-36.20	308.42	4.05	-32.15
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652197	0	39	-1.0	-50.84	308.79	0.83	-50.01
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652197	1	39	-1.0	-50.85	308.85	0.84	-50.01
O=C(CCCC1=N[N-]N=N1)N1CCC12CCSCC2	REAL250004652198	0	37	-1.0	-48.65	295.95	4.66	-43.99
O=C(CCCC1=NN=N[N-]1)N1CCC12CCSCC2	REAL250004652198	1	37	-1.0	-48.65	296.01	4.67	-43.98
O=C(CCCC1=N[N-]N=N1)NCC1(C2CC2)CCCO1	REAL250004652199	0	40	-1.0	-47.02	315.00	2.94	-44.08
O=C(CCCC1=NN=N[N-]1)NCC1(C2CC2)CCCO1	REAL250004652199	1	40	-1.0	-47.01	315.06	2.96	-44.05
CC12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C(C)(C)O2	REAL250004652200	0	40	-1.0	-45.99	315.95	1.94	-44.05
CC12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C(C)(C)O2	REAL250004652200	1	40	-1.0	-45.99	316.01	1.96	-44.03
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CS(=O)(=O)C2	REAL250004652201	0	36	-1.0	-52.17	292.73	1.21	-50.96
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CS(=O)(=O)C2	REAL250004652201	1	36	-1.0	-52.20	292.79	1.22	-50.98
O=C(CCCC1=N[N-]N=N1)NC1CCCCCCCCC1	REAL250004652202	0	47	-1.0	-47.08	345.64	5.72	-41.36
O=C(CCCC1=NN=N[N-]1)NC1CCCCCCCCC1	REAL250004652202	1	47	-1.0	-47.09	345.70	5.74	-41.35
C#CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004652203	0	30	-1.0	-49.86	275.29	2.68	-47.18
C#CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004652203	1	30	-1.0	-49.88	275.35	2.70	-47.18
C#CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004652204	0	30	-1.0	-37.74	285.87	2.47	-35.27
C#CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004652204	1	30	-1.0	-37.71	285.94	2.49	-35.22
CC1(C)CCCOC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652205	0	42	-1.0	-46.51	323.61	2.42	-44.09
CC1(C)CCCOC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652205	1	42	-1.0	-46.52	323.67	2.44	-44.08
CN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004652206	0	36	-1.0	-47.24	292.24	2.98	-44.26
CN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004652206	1	36	-1.0	-47.25	292.30	2.99	-44.26
CN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652207	0	36	-1.0	-39.30	299.72	3.60	-35.70
CN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652207	1	36	-1.0	-39.31	299.78	3.62	-35.69
O=C(CCCC1=N[N-]N=N1)NC1=NC=NN1C1=CC=NC=C1	REAL250004652208	0	34	-1.0	-52.98	301.16	6.18	-46.80
O=C(CCCC1=NN=N[N-]1)NC1=NC=NN1C1=CC=NC=C1	REAL250004652208	1	34	-1.0	-53.00	301.22	6.19	-46.81
COC(=O)[C@@]1(NC(=O)CCCC2=N[N-]N=N2)C(C)[C@H]1C	REAL250004652209	0	38	-1.0	-49.41	321.08	3.42	-45.99
COC(=O)[C@@]1(NC(=O)CCCC2=NN=N[N-]2)C(C)[C@H]1C	REAL250004652209	1	38	-1.0	-49.41	321.14	3.44	-45.97
CN1CNC(=O)C12CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004652210	0	36	-1.0	-49.07	297.19	-1.69	-50.76
CN1CNC(=O)C12CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004652210	1	36	-1.0	-49.03	297.25	-1.68	-50.71
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CC[C@@H](CO)CC1	REAL250004652211	0	42	-1.0	-48.69	332.71	1.19	-47.50
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CC[C@@H](CO)CC1	REAL250004652211	1	42	-1.0	-48.67	332.76	1.20	-47.47
CC(C)C1=NC=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652212	0	36	-1.0	-48.34	301.86	3.54	-44.80
CC(C)C1=NC=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652212	1	36	-1.0	-48.37	301.92	3.56	-44.81
C[C@@H](O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652213	0	36	-1.0	-49.66	305.93	1.51	-48.15
C[C@@H](O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652213	1	36	-1.0	-49.66	305.99	1.52	-48.14
O=C(CCCC1=N[N-]N=N1)N[C@H](C1=CC=CC=C1)C(F)F	REAL250004652214	0	35	-1.0	-45.48	307.44	4.50	-40.98
O=C(CCCC1=NN=N[N-]1)N[C@H](C1=CC=CC=C1)C(F)F	REAL250004652214	1	35	-1.0	-45.57	307.50	4.51	-41.06
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCC1	REAL250004652215	0	39	-1.0	-46.91	317.54	0.81	-46.10
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCC1	REAL250004652215	1	39	-1.0	-46.93	317.60	0.82	-46.11
C#C[C@@]1(C)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652216	0	37	-1.0	-41.29	306.27	7.10	-34.19
C#C[C@@]1(C)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652216	1	37	-1.0	-41.10	306.38	7.11	-33.99
C#C[C@@]1(C)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652217	0	34	-1.0	-38.07	292.55	4.86	-33.21
C#C[C@@]1(C)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652217	1	34	-1.0	-38.07	292.62	4.86	-33.21
CCCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652218	0	44	-1.0	-46.58	346.90	5.50	-41.08
CCCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652218	1	44	-1.0	-46.57	346.95	5.52	-41.05
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)F	REAL250004652219	0	34	-1.0	-53.52	295.25	5.07	-48.45
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)F	REAL250004652219	1	34	-1.0	-53.34	295.31	5.09	-48.25
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004652220	0	31	-1.0	-36.24	281.55	1.97	-34.27
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004652220	1	31	-1.0	-36.26	281.62	1.98	-34.28
O=C(CCCC1=N[N-]N=N1)NCC=C1CCSCC1	REAL250004652221	0	37	-1.0	-47.00	311.69	4.02	-42.98
O=C(CCCC1=NN=N[N-]1)NCC=C1CCSCC1	REAL250004652221	1	37	-1.0	-47.01	311.75	4.04	-42.97
CNC(=O)C1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652222	0	42	-1.0	-56.10	329.99	2.52	-53.58
CNC(=O)C1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652222	1	42	-1.0	-56.10	330.05	2.53	-53.57
COC(=O)C1CC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652223	0	41	-1.0	-52.66	336.69	4.88	-47.78
COC(=O)C1CC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652223	1	41	-1.0	-52.66	336.76	4.89	-47.77
CC1=C(C)C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004652224	0	39	-1.0	-53.73	327.00	4.61	-49.12
CC1=C(C)C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004652224	1	39	-1.0	-53.71	327.05	4.62	-49.09
O=C(CCCC1=N[N-]N=N1)NCC1=C(C2CC2)OC=N1	REAL250004652225	0	35	-1.0	-48.78	307.10	0.42	-48.36
O=C(CCCC1=NN=N[N-]1)NCC1=C(C2CC2)OC=N1	REAL250004652225	1	35	-1.0	-48.79	307.15	0.44	-48.35
CC(C)CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652226	0	44	-1.0	-46.65	342.03	5.12	-41.53
CC(C)CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652226	1	44	-1.0	-46.63	342.09	5.14	-41.49
COCCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004652227	0	39	-1.0	-55.46	330.94	0.39	-55.07
COCCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004652227	1	39	-1.0	-55.46	331.00	0.41	-55.05
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(CCO)O1	REAL250004652228	0	43	-1.0	-47.24	338.47	0.98	-46.26
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(CCO)O1	REAL250004652228	1	43	-1.0	-47.26	338.52	1.00	-46.26
O=C(CCCC1=N[N-]N=N1)NCCCCC(F)(F)F	REAL250004652229	0	34	-1.0	-49.28	301.80	3.17	-46.11
O=C(CCCC1=NN=N[N-]1)NCCCCC(F)(F)F	REAL250004652229	1	34	-1.0	-49.32	301.86	3.18	-46.14
C#CCO[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652230	0	41	-1.0	-51.16	341.52	3.66	-47.50
C#CCO[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652230	1	41	-1.0	-51.15	341.57	3.68	-47.47
CC1C2=CC=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004652231	0	39	-1.0	-46.12	312.08	6.56	-39.56
CC1C2=CC=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004652231	1	39	-1.0	-46.11	312.13	6.57	-39.54
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2(F)F)CC1	REAL250004652232	0	39	-1.0	-47.62	311.47	5.77	-41.85
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2(F)F)CC1	REAL250004652232	1	39	-1.0	-47.61	311.53	5.79	-41.82
O=C(CCCC1=N[N-]N=N1)N1CCC12CS(=O)(=O)C2	REAL250004652233	0	33	-1.0	-59.79	286.73	0.99	-58.80
O=C(CCCC1=NN=N[N-]1)N1CCC12CS(=O)(=O)C2	REAL250004652233	1	33	-1.0	-59.81	286.79	1.00	-58.81
CC(C)(CO)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652234	0	45	-1.0	-48.90	335.01	2.41	-46.49
CC(C)(CO)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652234	1	45	-1.0	-48.91	335.07	2.43	-46.48
CO[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)[C@@H]1C	REAL250004652235	0	39	-1.0	-48.10	301.56	3.46	-44.64
CO[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)[C@@H]1C	REAL250004652235	1	39	-1.0	-48.10	301.62	3.47	-44.63
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652236	0	33	-1.0	-46.06	292.14	-0.30	-46.36
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652236	1	33	-1.0	-46.07	292.20	-0.29	-46.36
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2(O)CC2)C1	REAL250004652237	0	38	-1.0	-49.36	310.33	0.22	-49.14
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2(O)CC2)C1	REAL250004652237	1	38	-1.0	-49.39	310.39	0.23	-49.16
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652238	0	41	-1.0	-45.15	310.77	5.46	-39.69
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652238	1	41	-1.0	-45.19	310.83	5.47	-39.72
CC(C)C1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652239	0	44	-1.0	-45.23	327.46	5.94	-39.29
CC(C)C1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652239	1	44	-1.0	-45.25	327.52	5.95	-39.30
COCC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652240	0	37	-1.0	-54.76	325.82	-1.17	-55.93
COCC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652240	1	37	-1.0	-54.79	325.87	-1.16	-55.95
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CC1)OC2	REAL250004652241	0	43	-1.0	-46.45	332.66	3.11	-43.34
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CC1)OC2	REAL250004652241	1	43	-1.0	-46.46	332.72	3.12	-43.34
CSCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652242	0	34	-1.0	-47.14	315.37	0.15	-46.99
CSCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652242	1	34	-1.0	-47.14	315.43	0.16	-46.98
CCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004652243	0	33	-1.0	-48.06	292.14	-0.27	-48.33
CCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004652243	1	33	-1.0	-48.09	292.20	-0.26	-48.35
CC1CCC(C2CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004652244	0	45	-1.0	-46.55	340.37	6.77	-39.78
CC1CCC(C2CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004652244	1	45	-1.0	-46.61	340.43	6.78	-39.83
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004652245	0	37	-1.0	-46.57	301.14	-0.57	-47.14
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004652245	1	37	-1.0	-46.54	301.19	-0.56	-47.10
CC1(C)CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004652246	0	41	-1.0	-46.19	319.55	4.12	-42.07
CC1(C)CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004652246	1	41	-1.0	-46.23	319.61	4.13	-42.10
COC(=O)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652247	0	34	-1.0	-48.15	311.17	1.63	-46.52
COC(=O)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652247	1	34	-1.0	-48.15	311.23	1.65	-46.50
O=C(CCCC1=N[N-]N=N1)NCCC1=NC(C2CC2)=NO1	REAL250004652248	0	37	-1.0	-52.80	323.54	1.36	-51.44
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(C2CC2)=NO1	REAL250004652248	1	37	-1.0	-52.81	323.60	1.38	-51.43
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652249	0	39	-1.0	-46.04	332.38	0.70	-45.34
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652249	1	39	-1.0	-46.01	332.44	0.72	-45.29
COC12CC(C1)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004652250	0	37	-1.0	-48.02	292.96	3.27	-44.75
COC12CC(C1)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004652250	1	37	-1.0	-48.04	293.02	3.28	-44.76
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)C1C1=CC=CC=C1	REAL250004652251	0	38	-1.0	-51.90	323.58	5.98	-45.92
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)C1C1=CC=CC=C1	REAL250004652251	1	38	-1.0	-51.91	323.64	6.00	-45.91
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCCCC2C1	REAL250004652252	0	45	-1.0	-46.37	330.36	6.10	-40.27
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCCCC2C1	REAL250004652252	1	45	-1.0	-46.39	330.42	6.12	-40.27
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCSCC2	REAL250004652253	0	40	-1.0	-48.17	316.85	5.42	-42.75
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCSCC2	REAL250004652253	1	40	-1.0	-48.25	316.90	5.43	-42.82
CCC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652254	0	36	-1.0	-52.39	313.64	0.46	-51.93
CCC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652254	1	36	-1.0	-52.43	313.70	0.47	-51.96
CCCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652255	0	44	-1.0	-46.94	338.90	6.41	-40.53
CCCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652255	1	44	-1.0	-47.00	338.96	6.42	-40.58
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1C1CCC1	REAL250004652256	0	39	-1.0	-53.36	321.49	3.82	-49.54
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1C1CCC1	REAL250004652256	1	39	-1.0	-53.37	321.55	3.83	-49.54
CC1=NN(C2CCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004652257	0	39	-1.0	-48.32	321.33	3.71	-44.61
CC1=NN(C2CCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004652257	1	39	-1.0	-48.32	321.39	3.73	-44.59
CC(C)C(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004652258	0	40	-1.0	-54.68	320.66	4.94	-49.74
CC(C)C(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004652258	1	40	-1.0	-54.70	320.71	4.95	-49.75
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004652259	0	36	-1.0	-48.63	306.67	5.10	-43.53
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004652259	1	36	-1.0	-48.63	306.73	5.12	-43.51
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL250004652260	0	41	-1.0	-49.44	319.87	4.40	-45.04
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL250004652260	1	41	-1.0	-49.47	319.93	4.42	-45.05
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2CC2)C1	REAL250004652261	0	40	-1.0	-49.41	329.16	4.40	-45.01
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2CC2)C1	REAL250004652261	1	40	-1.0	-49.40	329.21	4.42	-44.98
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2CC2)C=C1	REAL250004652262	0	39	-1.0	-45.96	328.30	5.59	-40.37
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2CC2)C=C1	REAL250004652262	1	39	-1.0	-45.94	328.36	5.60	-40.34
CCC1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652263	0	35	-1.0	-47.88	288.57	4.16	-43.72
CCC1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652263	1	35	-1.0	-47.87	288.63	4.18	-43.69
CCC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004652264	0	35	-1.0	-37.92	296.60	4.35	-33.57
CCC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004652264	1	35	-1.0	-37.89	296.67	4.35	-33.54
O=C(CCCC1=N[N-]N=N1)NCC=CBr	REAL250004652265	0	26	-1.0	-45.37	253.45	1.73	-43.64
O=C(CCCC1=NN=N[N-]1)NCC=CBr	REAL250004652265	1	26	-1.0	-45.44	253.51	1.75	-43.69
O=C(CCCC1=N[N-]N=N1)NCC1CC(C(F)F)C1	REAL250004652266	0	35	-1.0	-50.28	299.17	3.37	-46.91
O=C(CCCC1=NN=N[N-]1)NCC1CC(C(F)F)C1	REAL250004652266	1	35	-1.0	-50.31	299.23	3.39	-46.92
CN(C)C1(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652267	0	38	-1.0	-51.38	310.89	-2.66	-54.04
CN(C)C1(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652267	1	38	-1.0	-51.39	310.95	-2.65	-54.04
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2F)C1	REAL250004652268	0	36	-1.0	-49.36	308.97	5.65	-43.71
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2F)C1	REAL250004652268	1	36	-1.0	-49.38	309.03	5.66	-43.72
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCO2)C1	REAL250004652269	0	37	-1.0	-51.65	294.55	2.84	-48.81
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCO2)C1	REAL250004652269	1	37	-1.0	-51.69	294.61	2.85	-48.84
O=C(CCCC1=N[N-]N=N1)N1CC2CC(F)(F)C2C1	REAL250004652270	0	33	-1.0	-46.43	278.89	4.08	-42.35
O=C(CCCC1=NN=N[N-]1)N1CC2CC(F)(F)C2C1	REAL250004652270	1	33	-1.0	-46.44	278.95	4.10	-42.34
O=C(CCCC1=N[N-]N=N1)NCC12COC(C1)CCC2	REAL250004652271	0	40	-1.0	-47.06	310.03	2.35	-44.71
O=C(CCCC1=NN=N[N-]1)NCC12COC(C1)CCC2	REAL250004652271	1	40	-1.0	-47.07	310.09	2.36	-44.71
COC1(OC)CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004652272	0	41	-1.0	-50.13	338.44	2.84	-47.29
COC1(OC)CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004652272	1	41	-1.0	-50.15	338.50	2.86	-47.29
COC(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652273	0	36	-1.0	-53.56	316.80	2.72	-50.84
COC(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652273	1	36	-1.0	-53.59	316.86	2.74	-50.85
COC(=O)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004652274	0	39	-1.0	-51.01	318.97	3.17	-47.84
COC(=O)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004652274	1	39	-1.0	-51.01	319.03	3.18	-47.83
CC(C)(C)O[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652275	0	45	-1.0	-48.00	345.77	4.74	-43.26
CC(C)(C)O[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652275	1	45	-1.0	-48.00	345.82	4.75	-43.25
CC(C)(C)O[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652276	0	45	-1.0	-47.98	345.63	4.73	-43.25
CC(C)(C)O[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652276	1	45	-1.0	-47.96	345.68	4.74	-43.22
C#CCN(CCF)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652277	0	33	-1.0	-52.35	287.62	6.56	-45.79
C#CCN(CCF)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652277	1	33	-1.0	-52.23	287.82	6.62	-45.61
C#CCN(CCF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652278	0	30	-1.0	-36.48	277.09	4.78	-31.70
C#CCN(CCF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652278	1	30	-1.0	-36.45	277.16	4.79	-31.66
C#CC(CC1CCCO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004652279	0	38	-1.0	-48.62	320.38	3.59	-45.03
C#CC(CC1CCCO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004652279	1	38	-1.0	-48.68	320.44	3.60	-45.08
C#CC(CC1CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004652280	0	37	-1.0	-47.79	314.26	4.79	-43.00
C#CC(CC1CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004652280	1	37	-1.0	-47.76	314.31	4.81	-42.95
C#CC(CC1CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652281	0	37	-1.0	-36.20	322.79	4.63	-31.57
C#CC(CC1CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652281	1	37	-1.0	-36.18	322.86	4.64	-31.54
O=C(NCC12CC(C1)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004652282	0	36	-1.0	-51.84	300.06	6.14	-45.70
O=C(NCC12CC(C1)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004652282	1	36	-1.0	-51.64	300.16	6.14	-45.50
O=C(NCC12CC(C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652283	0	33	-1.0	-34.73	286.31	3.02	-31.71
O=C(NCC12CC(C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652283	1	33	-1.0	-34.67	286.37	3.02	-31.65
CC1(C)CCCOC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004652284	0	45	-1.0	-48.41	344.79	3.19	-45.22
CC1(C)CCCOC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004652284	1	45	-1.0	-48.38	344.84	3.21	-45.17
CCCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652285	0	36	-1.0	-50.82	298.52	1.09	-49.73
CCCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652285	1	36	-1.0	-50.86	298.58	1.11	-49.75
CCCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004652286	0	36	-1.0	-39.31	306.81	0.94	-38.37
CCCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004652286	1	36	-1.0	-39.24	306.88	0.95	-38.29
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C1)CC=CC2	REAL250004652287	0	37	-1.0	-55.14	304.37	6.84	-48.30
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(C1)CC=CC2	REAL250004652287	1	37	-1.0	-55.22	303.90	6.84	-48.38
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CC=CC2	REAL250004652288	0	34	-1.0	-36.85	292.13	4.34	-32.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CC=CC2	REAL250004652288	1	34	-1.0	-36.83	292.19	4.35	-32.48
COC(=O)C12CC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004652289	0	36	-1.0	-52.83	308.81	4.18	-48.65
COC(=O)C12CC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004652289	1	36	-1.0	-52.86	308.87	4.19	-48.67
CCC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004652290	0	38	-1.0	-48.51	317.99	6.53	-41.98
CCC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004652290	1	38	-1.0	-48.50	318.04	6.54	-41.96
C#CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004652291	0	39	-1.0	-45.82	334.72	4.39	-41.43
C#CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004652291	1	39	-1.0	-45.85	334.78	4.40	-41.45
C#CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652292	0	30	-1.0	-52.60	276.60	4.23	-48.37
C#CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652292	1	30	-1.0	-52.69	276.65	4.24	-48.45
C#CC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004652293	0	30	-1.0	-39.79	287.18	4.01	-35.78
C#CC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004652293	1	30	-1.0	-39.79	287.25	4.01	-35.78
C#CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004652294	0	30	-1.0	-54.19	276.54	4.23	-49.96
C#CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004652294	1	30	-1.0	-54.25	276.60	4.24	-50.01
C#CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004652295	0	30	-1.0	-40.05	287.12	4.02	-36.03
C#CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004652295	1	30	-1.0	-40.01	287.19	4.02	-35.99
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CO1)C2	REAL250004652296	0	40	-1.0	-47.14	319.07	2.40	-44.74
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CO1)C2	REAL250004652296	1	40	-1.0	-47.13	319.13	2.42	-44.71
COC(=O)C1(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004652297	0	35	-1.0	-54.49	300.15	3.49	-51.00
COC(=O)C1(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004652297	1	35	-1.0	-54.50	300.20	3.50	-51.00
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCOCC1	REAL250004652298	0	43	-1.0	-46.75	337.89	0.54	-46.21
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCOCC1	REAL250004652298	1	43	-1.0	-46.75	337.95	0.55	-46.20
COCCN1C=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004652299	0	38	-1.0	-49.32	331.00	1.64	-47.68
COCCN1C=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004652299	1	38	-1.0	-49.37	331.05	1.65	-47.72
O=C(CCCC1=N[N-]N=N1)NNC1=NCCS1	REAL250004652300	0	29	-1.0	-46.21	266.62	0.24	-45.97
O=C(CCCC1=NN=N[N-]1)NNC1=NCCS1	REAL250004652300	1	29	-1.0	-46.21	266.68	0.26	-45.95
O=C(NNC1=NCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652301	0	29	-1.0	-36.18	277.22	0.02	-36.16
O=C(NNC1=NCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652301	1	29	-1.0	-36.11	277.28	0.02	-36.09
CC1=CN=C(C)N=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004652302	0	35	-1.0	-46.94	302.01	2.74	-44.20
CC1=CN=C(C)N=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004652302	1	35	-1.0	-46.94	302.06	2.75	-44.19
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004652303	0	37	-1.0	-46.97	308.30	4.18	-42.79
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004652303	1	37	-1.0	-46.97	308.35	4.20	-42.77
COCC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004652304	0	35	-1.0	-49.14	309.67	0.67	-48.47
COCC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004652304	1	35	-1.0	-49.16	309.73	0.68	-48.48
CC(F)(F)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652305	0	35	-1.0	-44.89	298.46	3.50	-41.39
CC(F)(F)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652305	1	35	-1.0	-44.89	298.52	3.52	-41.37
COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652306	0	39	-1.0	-51.83	321.42	1.00	-50.83
COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652306	1	39	-1.0	-51.85	321.48	1.02	-50.83
CN(CC1=CC(F)=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004652307	0	35	-1.0	-47.35	304.06	5.54	-41.81
CN(CC1=CC(F)=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004652307	1	35	-1.0	-47.39	304.12	5.55	-41.84
O=C(CCCC1=N[N-]N=N1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL250004652308	0	43	-1.0	-46.81	337.79	3.25	-43.56
O=C(CCCC1=NN=N[N-]1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL250004652308	1	43	-1.0	-46.82	337.85	3.26	-43.56
COC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652309	0	39	-1.0	-53.45	325.73	4.89	-48.56
COC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652309	1	39	-1.0	-53.45	325.79	4.90	-48.55
O=C(CCCC1=N[N-]N=N1)NCC(F)C1=CC=CC=C1	REAL250004652310	0	35	-1.0	-48.08	305.39	4.30	-43.78
O=C(CCCC1=NN=N[N-]1)NCC(F)C1=CC=CC=C1	REAL250004652310	1	35	-1.0	-48.06	305.44	4.31	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1CC(C(F)(F)F)C1	REAL250004652311	0	35	-1.0	-49.14	305.81	3.50	-45.64
O=C(CCCC1=NN=N[N-]1)NCC1CC(C(F)(F)F)C1	REAL250004652311	1	35	-1.0	-49.14	305.87	3.52	-45.62
CC(F)(F)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004652312	0	38	-1.0	-50.67	306.02	4.95	-45.72
CC(F)(F)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004652312	1	38	-1.0	-50.67	306.08	4.97	-45.70
COC1=CN=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004652313	0	38	-1.0	-51.08	320.82	3.09	-47.99
COC1=CN=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004652313	1	38	-1.0	-51.10	320.77	3.08	-48.02
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2CC2)C1	REAL250004652314	0	39	-1.0	-46.47	320.59	4.72	-41.75
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2CC2)C1	REAL250004652314	1	39	-1.0	-46.49	320.64	4.73	-41.76
O=C(NCC1CC(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652315	0	39	-1.0	-34.87	331.18	4.51	-30.36
O=C(NCC1CC(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652315	1	39	-1.0	-34.85	331.24	4.52	-30.33
O=C(CCCC1=N[N-]N=N1)N1CCOCC(CO)C1	REAL250004652316	0	37	-1.0	-52.20	295.43	-0.46	-52.66
O=C(CCCC1=NN=N[N-]1)N1CCOCC(CO)C1	REAL250004652316	1	37	-1.0	-52.25	295.49	-0.45	-52.70
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC12CCC2	REAL250004652317	0	37	-1.0	-48.20	294.87	1.23	-46.97
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC12CCC2	REAL250004652317	1	37	-1.0	-48.20	294.93	1.25	-46.95
CC(C)(C)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004652318	0	40	-1.0	-45.49	295.83	3.44	-42.05
CC(C)(C)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004652318	1	40	-1.0	-45.53	295.89	3.45	-42.08
CC(C)(C)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652319	0	40	-1.0	-34.94	306.42	3.23	-31.71
CC(C)(C)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652319	1	40	-1.0	-34.92	306.49	3.24	-31.68
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC2(CC2)C1	REAL250004652320	0	39	-1.0	-55.04	312.17	7.44	-47.60
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC2(CC2)C1	REAL250004652320	1	39	-1.0	-53.69	312.17	7.50	-46.19
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2(CC2)C1	REAL250004652321	0	36	-1.0	-35.25	298.77	5.31	-29.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2(CC2)C1	REAL250004652321	1	36	-1.0	-35.25	298.84	5.35	-29.90
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL250004652322	0	30	-1.0	-47.95	273.59	1.13	-46.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(F)=C1	REAL250004652323	0	31	-1.0	-53.64	279.37	3.11	-50.53
CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652324	0	34	-1.0	-52.02	294.36	3.70	-48.32
CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652325	0	31	-1.0	-44.07	271.86	0.99	-43.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=N1	REAL250004652326	0	30	-1.0	-50.28	269.88	1.34	-48.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2C=CC1C2	REAL250004652327	0	36	-1.0	-50.00	296.02	3.48	-46.52
CC(C)=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652328	0	31	-1.0	-48.66	267.68	1.89	-46.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COCCO1	REAL250004652329	0	31	-1.0	-55.69	271.12	0.62	-55.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC(=O)C=C1	REAL250004652330	0	31	-1.0	-52.17	277.59	-0.01	-52.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL250004652331	0	31	-1.0	-51.86	272.98	3.04	-48.82
CC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652332	0	33	-1.0	-50.25	275.81	2.10	-48.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL250004652333	0	37	-1.0	-40.74	298.67	3.30	-37.44
CC(=O)NCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652334	0	34	-1.0	-51.10	298.10	-0.94	-52.04
CC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652335	0	36	-1.0	-41.35	297.85	2.81	-38.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCO1	REAL250004652336	0	32	-1.0	-55.47	273.31	1.24	-54.23
CSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652337	0	28	-1.0	-43.24	260.35	1.18	-42.06
CSCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652338	0	31	-1.0	-40.80	282.02	1.99	-38.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=[N+]([O-])C=C1	REAL250004652339	0	31	-1.0	-59.40	280.12	1.68	-57.72
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652340	0	31	-1.0	-49.20	278.81	1.89	-47.31
CC(=O)NC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652341	0	34	-1.0	-42.55	295.59	-0.75	-43.30
CC(NC(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652342	0	33	-1.0	-43.35	288.50	-3.52	-46.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(=O)C=C1	REAL250004652343	0	30	-1.0	-47.78	274.83	-1.45	-49.23
CC(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652344	0	32	-1.0	-42.35	281.87	1.42	-40.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CS1	REAL250004652345	0	28	-1.0	-50.01	265.12	2.05	-47.96
CC1=CN=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004652346	0	32	-1.0	-49.85	286.60	0.09	-49.76
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL250004652347	0	34	-1.0	-51.80	294.08	3.73	-48.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CO1	REAL250004652348	0	28	-1.0	-49.90	256.90	1.07	-48.83
CC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652349	0	31	-1.0	-43.16	275.97	-1.56	-44.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004652350	0	24	-1.0	-42.17	229.88	0.22	-41.95
O=C(C=CC1=CC=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652351	0	32	-1.0	-50.82	290.12	2.45	-48.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1F	REAL250004652352	0	31	-1.0	-57.19	277.53	3.12	-54.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(=O)N1	REAL250004652353	0	32	-1.0	-48.58	279.57	-1.34	-49.92
CC1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652354	0	31	-1.0	-41.03	269.18	2.20	-38.83
CC=CC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652355	0	32	-1.0	-50.57	286.29	2.79	-47.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C[N+]([O-])=C1	REAL250004652356	0	31	-1.0	-69.81	279.97	1.67	-68.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL250004652357	0	31	-1.0	-41.17	264.02	2.04	-39.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL250004652358	0	34	-1.0	-41.10	280.34	2.64	-38.46
CC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652359	0	34	-1.0	-50.70	288.55	3.74	-46.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC=C1	REAL250004652360	0	30	-1.0	-51.06	267.87	1.29	-49.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1	REAL250004652361	0	31	-1.0	-50.33	279.07	3.13	-47.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1	REAL250004652362	0	30	-1.0	-50.35	267.96	1.27	-49.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOCC1	REAL250004652363	0	35	-1.0	-42.46	289.63	0.88	-41.58
O=C(CC1C=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652364	0	35	-1.0	-42.24	293.12	3.28	-38.96
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL250004652365	0	31	-1.0	-50.02	274.37	1.84	-48.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC=C1	REAL250004652366	0	28	-1.0	-51.87	264.03	1.98	-49.89
CC(=O)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652367	0	35	-1.0	-50.30	303.76	2.21	-48.09
O=C(CN1C=NN=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652368	0	29	-1.0	-68.86	266.07	0.29	-68.57
CC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652369	0	30	-1.0	-46.24	273.61	1.08	-45.16
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004652370	0	31	-1.0	-51.80	278.02	0.80	-51.00
NC(=O)NCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652371	0	33	-1.0	-51.70	291.02	-3.72	-55.42
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1C	REAL250004652372	0	35	-1.0	-42.84	295.00	3.19	-39.65
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL250004652373	0	31	-1.0	-49.56	274.78	1.75	-47.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC=C1	REAL250004652374	0	28	-1.0	-54.51	256.37	1.03	-53.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CCC1	REAL250004652375	0	35	-1.0	-49.78	290.51	3.20	-46.58
O=C(CCC1=CC=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652376	0	34	-1.0	-42.79	299.45	2.66	-40.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN1	REAL250004652377	0	29	-1.0	-53.56	259.82	0.85	-52.71
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL250004652378	0	35	-1.0	-48.97	300.60	2.72	-46.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC=N1	REAL250004652379	0	29	-1.0	-50.23	264.95	-0.52	-50.75
O=C(CN1C=CC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652380	0	31	-1.0	-60.93	277.52	1.18	-59.75
O=C(CC1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652381	0	37	-1.0	-50.88	300.78	3.35	-47.53
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)O1	REAL250004652382	0	34	-1.0	-49.69	296.30	2.67	-47.02
CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652383	0	34	-1.0	-48.67	300.29	2.67	-46.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCC1C2	REAL250004652384	0	38	-1.0	-41.26	299.69	3.49	-37.77
CC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652385	0	33	-1.0	-40.94	276.04	1.96	-38.98
O=C(CC1=CC=NC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652386	0	33	-1.0	-44.90	292.18	1.97	-42.93
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004652387	0	33	-1.0	-50.30	289.57	1.88	-48.42
CN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652388	0	32	-1.0	-43.32	276.09	2.66	-40.66
CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652389	0	33	-1.0	-41.53	280.28	2.30	-39.23
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C	REAL250004652390	0	34	-1.0	-51.25	293.55	1.29	-49.96
CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652391	0	36	-1.0	-41.42	301.78	3.08	-38.34
CC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652392	0	36	-1.0	-40.71	290.48	2.63	-38.08
CCCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652393	0	39	-1.0	-41.36	323.28	3.86	-37.50
O=C(CCN1C=CC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652394	0	34	-1.0	-43.37	299.69	1.72	-41.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CNC1=O	REAL250004652395	0	31	-1.0	-58.61	275.20	0.28	-58.33
CC(C)SCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652396	0	34	-1.0	-42.90	300.09	2.70	-40.20
CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652397	0	33	-1.0	-49.89	291.49	1.94	-47.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1O	REAL250004652398	0	32	-1.0	-54.39	281.81	1.49	-52.90
CCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652399	0	33	-1.0	-41.08	275.50	2.05	-39.03
N#CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652400	0	29	-1.0	-50.26	281.17	1.82	-48.44
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC=N1	REAL250004652401	0	34	-1.0	-55.24	295.84	1.63	-53.61
CCC1=NNC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652402	0	34	-1.0	-54.99	294.40	0.82	-54.17
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1	REAL250004652402	1	34	-1.0	-50.10	294.52	0.79	-49.31
O=C(CN1C=NC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652403	0	30	-1.0	-63.10	272.32	2.61	-60.49
O=C(CC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652404	0	31	-1.0	-51.03	268.51	2.28	-48.75
CC(C)OCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652405	0	37	-1.0	-40.92	313.09	1.54	-39.38
CCC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL250004652406	0	34	-1.0	-50.63	298.91	0.83	-49.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COCCO1	REAL250004652407	0	33	-1.0	-43.37	282.22	0.04	-43.33
COC(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652408	0	30	-1.0	-48.69	269.24	1.60	-47.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=C1	REAL250004652409	0	28	-1.0	-51.96	255.49	-0.48	-52.44
CC(=O)N(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652410	0	34	-1.0	-47.19	295.14	0.83	-46.36
CCC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652411	0	36	-1.0	-41.28	291.61	2.52	-38.76
CC1=NNC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652412	0	31	-1.0	-55.01	273.19	0.09	-54.92
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1	REAL250004652412	1	31	-1.0	-50.07	273.11	0.06	-50.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSN=N1	REAL250004652413	0	26	-1.0	-46.95	254.93	-0.58	-47.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=[N+]1[O-]	REAL250004652414	0	31	-1.0	-57.34	276.46	1.76	-55.58
CCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652415	0	37	-1.0	-43.98	314.31	1.56	-42.42
O=C(COCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652416	0	35	-1.0	-44.33	303.53	2.57	-41.76
O=C(CC1CCCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652417	0	35	-1.0	-44.79	293.59	1.62	-43.17
CC1=CNC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652418	0	32	-1.0	-57.23	278.67	1.61	-55.62
CSC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652419	0	31	-1.0	-42.86	279.07	1.74	-41.12
CCOC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652420	0	34	-1.0	-43.80	291.58	1.69	-42.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNN=C1	REAL250004652421	0	28	-1.0	-51.05	255.09	-0.51	-51.56
CCOC(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652422	0	33	-1.0	-48.35	291.09	2.53	-45.82
CC(C)(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652423	0	31	-1.0	-45.84	275.43	1.53	-44.31
COCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652425	0	34	-1.0	-43.91	292.46	0.59	-43.32
CC(F)(F)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652426	0	33	-1.0	-40.96	291.40	2.43	-38.53
CC1=NC=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652427	0	32	-1.0	-48.82	279.19	1.74	-47.08
C=CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652428	0	32	-1.0	-43.23	294.63	2.64	-40.59
CCOC1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652429	0	35	-1.0	-48.87	303.38	1.42	-47.45
CC1=NC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652430	0	32	-1.0	-47.32	286.77	1.10	-46.22
CCSCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652431	0	34	-1.0	-40.69	303.49	2.88	-37.81
COC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652432	0	32	-1.0	-42.91	286.79	-2.14	-45.05
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NSN=C1	REAL250004652433	0	26	-1.0	-46.03	253.64	-0.98	-47.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=NS1	REAL250004652434	0	26	-1.0	-48.35	255.23	-0.36	-48.71
CCCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652435	0	34	-1.0	-42.92	303.31	2.87	-40.05
CC(=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652436	0	35	-1.0	-49.36	294.47	3.52	-45.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC=C1	REAL250004652437	0	27	-1.0	-49.25	251.39	0.31	-48.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CS1	REAL250004652438	0	27	-1.0	-50.96	259.86	0.22	-50.74
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL250004652439	0	31	-1.0	-50.98	277.70	0.08	-50.90
CC1=CN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL250004652440	0	34	-1.0	-60.84	299.37	1.85	-58.99
O=C(C=C1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652441	0	35	-1.0	-50.30	292.28	3.35	-46.95
COC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652442	0	31	-1.0	-43.75	269.06	0.77	-42.98
CC1=NN(C)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652443	0	34	-1.0	-50.94	293.50	1.54	-49.40
CCC=C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652444	0	34	-1.0	-50.53	286.23	2.82	-47.71
CCCC(C)=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652445	0	37	-1.0	-48.99	310.39	3.59	-45.40
CCOC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652446	0	37	-1.0	-42.31	310.25	2.48	-39.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL250004652447	0	32	-1.0	-43.13	271.31	0.07	-43.06
O=C(C=C1CCCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652448	0	38	-1.0	-49.34	308.50	3.88	-45.46
CS(=O)(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652449	0	30	-1.0	-57.12	278.82	-2.27	-59.39
COC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652450	0	31	-1.0	-43.75	269.06	0.77	-42.98
CC(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652451	0	34	-1.0	-44.02	292.13	1.71	-42.31
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652452	0	37	-1.0	-41.04	305.45	3.56	-37.48
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CO1	REAL250004652453	0	30	-1.0	-48.38	269.68	-1.52	-49.90
C=CCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652454	0	35	-1.0	-43.80	306.17	2.35	-41.45
CCN(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652455	1	38	-1.0	-41.81	302.99	0.41	-41.40
CN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652456	0	31	-1.0	-49.78	273.18	0.80	-48.98
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CN=C1	REAL250004652457	0	34	-1.0	-46.75	295.48	2.87	-43.88
CC(C)N(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652458	1	38	-1.0	-41.40	305.22	0.45	-40.95
O=C(CC(F)(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652459	0	27	-1.0	-44.39	254.98	1.16	-43.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CNC(=O)C1	REAL250004652460	0	32	-1.0	-46.60	277.82	-1.67	-48.27
CCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652461	0	34	-1.0	-43.85	293.36	1.79	-42.06
COCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652462	0	37	-1.0	-42.37	313.96	1.37	-41.00
NC(=O)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652463	0	34	-1.0	-52.53	296.74	-1.64	-54.17
CCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652465	0	34	-1.0	-42.37	291.28	1.58	-40.79
O=C(CCN1C=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652466	0	34	-1.0	-44.26	299.18	3.31	-40.95
CN1C=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004652467	0	34	-1.0	-47.02	300.39	1.52	-45.50
CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652468	0	36	-1.0	-41.02	290.27	2.46	-38.56
COC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652469	0	34	-1.0	-42.53	290.10	1.28	-41.25
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL250004652470	0	37	-1.0	-40.74	297.90	3.23	-37.51
CCCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652471	0	39	-1.0	-41.20	315.24	3.53	-37.67
C=CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652472	0	31	-1.0	-41.25	271.60	2.08	-39.17
CCOCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652473	0	34	-1.0	-40.98	292.82	0.79	-40.19
COCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652474	0	31	-1.0	-41.10	270.96	-0.17	-41.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCOC1	REAL250004652475	0	35	-1.0	-49.52	289.76	0.92	-48.60
NC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652476	0	32	-1.0	-42.71	287.92	-2.01	-44.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC=N1	REAL250004652477	0	27	-1.0	-49.95	259.93	0.07	-49.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COCC1	REAL250004652478	0	30	-1.0	-50.44	264.27	0.59	-49.85
CCC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652479	0	34	-1.0	-42.87	296.25	-0.74	-43.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=C1	REAL250004652480	0	29	-1.0	-57.84	259.94	0.93	-56.91
CN(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652481	0	32	-1.0	-51.19	271.08	-0.92	-52.11
CN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652482	0	31	-1.0	-52.78	278.30	0.87	-51.91
COCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652483	0	35	-1.0	-46.94	305.49	0.23	-46.71
CCCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652484	0	36	-1.0	-41.18	297.00	2.80	-38.38
CC1=NON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652485	0	29	-1.0	-42.93	266.06	0.31	-42.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=N1	REAL250004652486	0	28	-1.0	-52.03	255.87	0.57	-51.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC=N1	REAL250004652487	0	27	-1.0	-49.36	251.97	-2.35	-51.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCC(=O)N1	REAL250004652488	0	32	-1.0	-48.06	279.64	-1.35	-49.41
CCCN(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652489	1	38	-1.0	-51.14	310.56	0.62	-50.52
CC(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652490	0	28	-1.0	-47.38	256.32	1.02	-46.36
O=C(CC1=CCCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652492	0	38	-1.0	-50.98	313.48	3.95	-47.03
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004652493	0	31	-1.0	-51.28	277.58	0.44	-50.84
COCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652494	0	34	-1.0	-40.49	290.21	0.52	-39.97
C=CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652495	0	32	-1.0	-44.35	284.76	1.56	-42.79
CC1=NN(C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652496	0	34	-1.0	-56.06	295.85	1.42	-54.64
CCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004652497	0	34	-1.0	-51.49	299.52	1.68	-49.81
CCCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652498	0	37	-1.0	-43.82	314.86	2.57	-41.25
CC(C)(C)C(=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652499	0	35	-1.0	-43.49	294.87	1.82	-41.67
CC1=NC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652500	0	33	-1.0	-52.13	284.11	1.95	-50.18
CSCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652501	0	34	-1.0	-40.25	299.97	2.55	-37.70
CC1=CC=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652502	0	33	-1.0	-49.46	284.08	1.98	-47.48
O=C(CCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652503	0	34	-1.0	-50.93	290.41	3.09	-47.84
CC(C)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652504	0	36	-1.0	-40.59	290.66	2.62	-37.97
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)(C)C	REAL250004652505	0	39	-1.0	-40.47	303.29	2.98	-37.49
COC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652506	0	34	-1.0	-43.69	282.06	1.20	-42.49
O=C(CC1=CC=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652507	0	33	-1.0	-45.77	292.41	1.94	-43.83
CN1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652508	0	36	-1.0	-52.94	298.11	0.22	-52.72
NC1=NC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652509	0	31	-1.0	-48.29	275.02	-1.40	-49.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)NC1CC1	REAL250004652510	0	32	-1.0	-44.43	286.15	-0.71	-45.14
CC(C)(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652511	0	39	-1.0	-41.16	314.02	3.21	-37.95
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652512	0	32	-1.0	-48.34	282.59	2.19	-46.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CC1	REAL250004652513	0	32	-1.0	-49.99	273.10	2.52	-47.47
O=C(CC1CCOC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652514	0	35	-1.0	-51.70	291.78	0.80	-50.90
O=C(CC1=NNC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652515	0	31	-1.0	-58.77	276.37	0.18	-58.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCO1	REAL250004652516	0	33	-1.0	-48.54	281.97	1.44	-47.10
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CO1	REAL250004652517	0	34	-1.0	-55.18	296.97	2.83	-52.35
O=C(CC1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652518	0	34	-1.0	-51.40	285.20	2.81	-48.59
CCC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652519	0	39	-1.0	-40.69	304.71	3.12	-37.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCS1	REAL250004652520	0	32	-1.0	-51.41	281.72	2.39	-49.02
CN(C)C(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652521	0	34	-1.0	-65.31	291.85	1.62	-63.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(=O)N1	REAL250004652522	0	31	-1.0	-49.63	277.82	0.03	-49.60
O=C(CCC1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652523	0	37	-1.0	-41.42	307.02	3.60	-37.82
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652524	0	34	-1.0	-40.62	285.54	2.85	-37.77
CC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652525	0	34	-1.0	-48.98	296.70	2.57	-46.41
O=C(CCN1C=CC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652526	0	35	-1.0	-41.65	304.49	3.60	-38.05
CC1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652527	0	33	-1.0	-50.20	289.40	1.91	-48.29
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=N1	REAL250004652528	0	30	-1.0	-49.33	269.64	-1.62	-50.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2CCCC21	REAL250004652529	0	35	-1.0	-41.09	286.03	3.49	-37.60
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652530	0	34	-1.0	-40.83	286.59	2.89	-37.94
N#CC1=CNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652531	0	30	-1.0	-57.18	281.18	1.31	-55.87
O=C(CCC1=COC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652532	0	34	-1.0	-42.75	299.44	2.50	-40.25
CC1=CC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652533	0	33	-1.0	-49.19	285.77	2.02	-47.17
CC=C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652534	0	31	-1.0	-50.69	265.82	2.03	-48.66
CC(C)=C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652535	0	34	-1.0	-49.65	281.53	2.74	-46.91
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652536	0	37	-1.0	-41.29	303.27	3.15	-38.14
CSC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652537	0	29	-1.0	-49.13	273.18	1.68	-47.45
O=C(CN1C=CN=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652538	0	30	-1.0	-66.72	271.37	-0.12	-66.84
O=CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004652539	0	31	-1.0	-54.67	284.41	0.47	-54.20
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CN1	REAL250004652540	0	32	-1.0	-52.15	278.43	1.49	-50.66
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652541	0	34	-1.0	-41.13	281.68	2.55	-38.58
C=CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652542	0	34	-1.0	-41.90	293.09	2.86	-39.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCCC2	REAL250004652543	0	38	-1.0	-41.02	310.30	4.04	-36.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)(F)C1	REAL250004652544	0	31	-1.0	-50.22	277.27	2.21	-48.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NC=C1	REAL250004652545	0	31	-1.0	-63.16	277.93	-0.02	-63.18
CCCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652546	0	37	-1.0	-40.79	311.82	3.53	-37.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCC1	REAL250004652547	0	32	-1.0	-50.31	274.08	2.63	-47.68
CC1=NNC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652548	0	34	-1.0	-56.55	299.14	0.64	-55.91
CC1=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL250004652548	1	34	-1.0	-47.63	298.59	0.73	-46.90
CN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652549	0	32	-1.0	-53.01	283.01	2.65	-50.36
O=C(C=C1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652550	0	32	-1.0	-51.06	276.43	2.76	-48.30
COCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652551	0	37	-1.0	-53.28	308.75	1.21	-52.07
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL250004652552	0	35	-1.0	-47.62	291.53	0.96	-46.66
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)COC1	REAL250004652553	0	35	-1.0	-49.24	290.41	0.75	-48.49
O=C(CC1=CC=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652554	0	33	-1.0	-45.77	292.41	1.94	-43.83
CCC1(C)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652555	0	37	-1.0	-41.04	301.77	3.33	-37.71
CCCC(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652556	0	37	-1.0	-39.96	306.47	-0.37	-40.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCC2	REAL250004652557	0	35	-1.0	-50.61	295.39	3.45	-47.16
CCC(=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC	REAL250004652558	0	37	-1.0	-40.51	306.97	3.55	-36.96
CC1CC(C#N)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652559	0	35	-1.0	-40.36	304.37	2.81	-37.55
CCC(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652560	0	39	-1.0	-41.48	307.68	3.23	-38.25
CC=C(C=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC	REAL250004652561	0	38	-1.0	-50.24	321.50	3.95	-46.29
CC1CCC(=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652562	0	38	-1.0	-50.29	313.81	3.98	-46.31
CC(C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652563	0	37	-1.0	-40.67	302.98	3.75	-36.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL250004652564	0	32	-1.0	-41.24	279.98	2.35	-38.89
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652565	0	34	-1.0	-41.37	285.31	2.68	-38.69
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)=C1CCCC1	REAL250004652566	0	38	-1.0	-50.82	308.71	4.05	-46.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CCCC1	REAL250004652567	0	35	-1.0	-41.53	288.65	-0.38	-41.91
COCC(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652568	0	35	-1.0	-40.12	299.80	-2.45	-42.57
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652569	0	31	-1.0	-50.08	265.98	2.13	-47.95
CN1C=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652570	0	31	-1.0	-52.34	278.30	2.29	-50.05
CC1=C(C)OC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652571	0	34	-1.0	-49.47	298.43	2.50	-46.97
C=CCC(CC=C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652572	0	38	-1.0	-40.93	317.57	3.75	-37.18
CC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004652573	0	35	-1.0	-51.93	299.98	2.08	-49.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C1CC1)C1CC1	REAL250004652574	0	38	-1.0	-40.53	316.39	4.50	-36.03
CC(C)(C)C(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652575	0	37	-1.0	-40.87	298.74	0.95	-39.92
CC1(C)C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652576	0	34	-1.0	-49.91	284.41	2.75	-47.16
CNC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652577	0	33	-1.0	-44.17	290.81	-2.91	-47.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCO1	REAL250004652578	0	29	-1.0	-43.30	254.81	0.23	-43.07
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL250004652579	0	33	-1.0	-49.69	291.61	1.97	-47.72
CC1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652580	0	34	-1.0	-55.57	299.97	2.70	-52.87
CCC(C)C(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652581	0	37	-1.0	-40.82	300.41	1.03	-39.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)C1	REAL250004652582	0	30	-1.0	-47.75	266.33	1.11	-46.64
CC(C)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652583	0	30	-1.0	-39.92	264.28	1.40	-38.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CO1	REAL250004652584	0	27	-1.0	-49.87	251.96	-2.24	-52.11
CC1=NN=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652585	0	32	-1.0	-52.58	279.15	0.87	-51.71
COCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652586	0	37	-1.0	-40.06	307.64	1.16	-38.90
O=C(CN1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652587	0	36	-1.0	-51.07	293.55	-0.01	-51.08
CSC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652588	0	34	-1.0	-42.77	297.84	2.54	-40.23
CCC(SC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652589	0	34	-1.0	-40.03	298.84	2.68	-37.35
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC=C1	REAL250004652590	0	35	-1.0	-43.73	300.80	3.48	-40.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=N1	REAL250004652591	0	27	-1.0	-56.43	250.57	0.19	-56.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCO1	REAL250004652592	0	35	-1.0	-54.47	290.97	2.04	-52.43
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652593	0	35	-1.0	-49.48	290.13	3.32	-46.16
CCC(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652594	0	37	-1.0	-43.91	312.90	2.52	-41.39
CC(C)C(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652595	0	37	-1.0	-44.25	303.89	0.56	-43.69
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004652596	1	38	-1.0	-39.85	303.13	0.36	-39.49
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NC=N1	REAL250004652597	0	32	-1.0	-47.12	286.88	1.75	-45.37
O=C(CC1=CC=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652598	0	31	-1.0	-44.99	278.32	1.86	-43.13
CCCC(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652599	0	37	-1.0	-44.71	310.96	0.60	-44.11
CC1(C)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652600	0	34	-1.0	-40.67	284.41	2.75	-37.92
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004652601	0	30	-1.0	-49.53	281.37	1.14	-48.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(CC1)C2	REAL250004652602	0	38	-1.0	-50.53	306.08	3.55	-46.98
CCC(C)=C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652603	0	37	-1.0	-49.39	302.29	3.46	-45.93
O=C(CCCCO)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652604	0	34	-1.0	-42.92	291.71	-1.03	-43.95
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)COC1	REAL250004652605	0	32	-1.0	-49.65	273.45	-0.14	-49.79
CC1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652606	0	37	-1.0	-50.49	300.73	3.23	-47.26
CC1OCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652607	0	35	-1.0	-42.36	292.96	0.83	-41.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC=CO1	REAL250004652608	0	33	-1.0	-42.95	283.43	2.30	-40.65
CC(C)(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652609	0	37	-1.0	-43.57	306.17	2.11	-41.46
N#CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004652610	0	30	-1.0	-58.56	281.09	1.18	-57.38
C#CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652611	0	35	-1.0	-42.58	307.56	3.60	-38.98
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652612	0	35	-1.0	-49.00	298.52	1.68	-47.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCCO1	REAL250004652613	0	32	-1.0	-44.07	273.54	1.18	-42.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCCO1	REAL250004652614	0	32	-1.0	-44.22	273.99	1.24	-42.98
C#CCOCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652615	0	33	-1.0	-42.56	298.60	1.34	-41.22
CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652616	0	37	-1.0	-41.10	302.18	3.24	-37.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CN=C1	REAL250004652617	0	29	-1.0	-50.08	262.90	1.08	-49.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC=C1O	REAL250004652618	1	31	-1.0	-52.79	279.02	-0.21	-53.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCOCC1	REAL250004652619	0	33	-1.0	-50.30	280.37	0.87	-49.43
CCC(C)(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652620	0	39	-1.0	-41.38	306.21	2.94	-38.44
CC#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652621	0	35	-1.0	-44.93	307.89	3.78	-41.15
C#CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652622	0	35	-1.0	-40.68	299.50	3.04	-37.64
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL250004652623	0	35	-1.0	-49.60	289.57	0.57	-49.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C=CCCC1	REAL250004652624	0	35	-1.0	-40.82	290.25	3.21	-37.61
COC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652625	0	35	-1.0	-39.22	292.81	0.78	-38.44
CCNC(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652626	0	34	-1.0	-64.57	295.16	0.52	-64.05
C#CCCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652627	0	38	-1.0	-43.76	329.06	4.38	-39.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CCC1	REAL250004652628	0	32	-1.0	-49.87	270.55	-1.01	-50.88
COC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652629	0	37	-1.0	-42.51	312.00	1.37	-41.14
CCC(C)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652630	0	39	-1.0	-40.71	308.84	3.25	-37.46
C#CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652631	0	29	-1.0	-41.60	264.56	2.04	-39.56
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004652632	0	38	-1.0	-50.28	310.22	3.89	-46.39
C#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652633	0	32	-1.0	-44.29	286.06	2.82	-41.47
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652634	0	34	-1.0	-50.82	288.61	2.79	-48.03
CCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652636	0	36	-1.0	-50.38	294.04	2.76	-47.62
CC(F)(F)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652637	0	30	-1.0	-47.08	269.46	1.70	-45.38
O=C(CC1OCCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652638	0	33	-1.0	-52.90	284.69	0.14	-52.76
C=CC(C)(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652639	0	37	-1.0	-40.81	298.63	3.37	-37.44
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652640	0	31	-1.0	-50.50	269.19	2.20	-48.30
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004652641	0	31	-1.0	-54.10	278.28	1.86	-52.24
O=C(C=CC1=CC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652642	0	33	-1.0	-52.88	292.58	2.16	-50.72
O=C(CCC1=CNC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652643	0	34	-1.0	-45.87	298.01	2.08	-43.79
O=C(CCC1=CN=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652643	1	34	-1.0	-45.54	298.07	2.06	-43.48
O=C(C=CC1=CNC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652644	0	32	-1.0	-54.19	289.32	2.00	-52.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCC1	REAL250004652645	0	35	-1.0	-50.17	288.91	3.26	-46.91
O=C(CC1=COC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652646	0	31	-1.0	-53.45	278.04	1.70	-51.75
CC(C)C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652647	0	39	-1.0	-40.80	302.79	2.91	-37.89
CC1=NNN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652648	0	30	-1.0	-46.53	268.79	-1.31	-47.84
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL250004652649	0	35	-1.0	-51.76	292.46	0.88	-50.88
CC(C)C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652650	0	33	-1.0	-41.06	283.81	2.05	-39.01
CC(C)(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652651	0	34	-1.0	-40.61	285.39	-1.23	-41.84
CCN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652652	0	34	-1.0	-40.76	294.08	1.64	-39.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCCC1	REAL250004652653	0	38	-1.0	-50.10	303.91	3.83	-46.27
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)C=C1	REAL250004652654	0	35	-1.0	-41.57	304.92	3.05	-38.52
CC(C)C(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652655	0	37	-1.0	-39.77	299.28	-0.43	-40.20
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004652656	0	37	-1.0	-43.28	305.44	2.00	-41.28
CC(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652657	0	31	-1.0	-40.14	268.15	-1.84	-41.98
CN1C=NC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652658	0	34	-1.0	-58.22	297.09	2.82	-55.40
CC(C)(O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652659	0	37	-1.0	-41.45	307.16	-0.48	-41.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCCC1	REAL250004652660	0	34	-1.0	-39.05	286.76	2.62	-36.43
C[C@H]1C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652661	0	31	-1.0	-50.28	269.47	2.19	-48.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC=N1	REAL250004652662	0	29	-1.0	-47.35	264.93	1.15	-46.20
O=C(CC1C=CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652663	0	38	-1.0	-51.68	309.47	3.90	-47.78
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004652664	0	30	-1.0	-48.43	273.68	-1.59	-50.02
C[C@H](NC(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652665	0	33	-1.0	-43.13	288.66	-3.50	-46.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(F)C1	REAL250004652666	0	34	-1.0	-40.66	286.96	2.70	-37.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCC1	REAL250004652667	0	31	-1.0	-39.68	270.48	2.07	-37.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@@H]1C(F)F	REAL250004652668	0	31	-1.0	-41.23	280.43	2.42	-38.81
CCCCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652669	0	39	-1.0	-41.09	318.50	3.59	-37.50
CC(CC(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652670	0	34	-1.0	-43.12	290.84	-1.83	-44.95
CN1N=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652671	0	30	-1.0	-41.66	265.98	-0.40	-42.06
COC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652672	0	37	-1.0	-43.24	299.82	1.91	-41.33
C=C(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652673	0	29	-1.0	-51.32	258.03	-1.92	-53.24
CC1=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL250004652674	0	34	-1.0	-57.52	297.68	1.80	-55.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CS1	REAL250004652675	0	27	-1.0	-47.81	261.07	0.16	-47.65
CC(C)(C#N)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652676	0	34	-1.0	-42.07	289.77	2.25	-39.82
CCC(C)(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652677	0	37	-1.0	-43.66	300.30	1.85	-41.81
CCN1C=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652678	0	34	-1.0	-48.59	295.81	2.40	-46.19
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=C1	REAL250004652679	0	32	-1.0	-52.82	278.06	1.53	-51.29
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL250004652680	0	34	-1.0	-50.07	295.86	2.62	-47.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(O)=C1	REAL250004652681	0	31	-1.0	-51.34	279.00	-1.60	-52.94
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=N1	REAL250004652682	0	33	-1.0	-50.99	289.75	1.89	-49.10
O=C(CCC1=NC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652683	0	34	-1.0	-44.91	298.09	1.22	-43.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CS1	REAL250004652684	0	27	-1.0	-50.96	259.86	0.22	-50.74
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CN1C	REAL250004652685	0	35	-1.0	-52.73	298.74	3.15	-49.58
C=CC(C)(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652686	0	35	-1.0	-41.22	292.40	0.62	-40.60
CC(C)(C(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652687	0	34	-1.0	-64.27	287.65	-0.56	-64.83
CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652688	0	32	-1.0	-55.42	287.46	1.15	-54.27
CC(C)(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652689	0	34	-1.0	-41.06	281.74	0.07	-40.99
O=C(CCC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652690	0	30	-1.0	-44.21	271.45	1.79	-42.42
CC=C(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652691	0	34	-1.0	-50.06	286.90	2.75	-47.31
CN1C=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652692	0	31	-1.0	-43.09	272.63	2.20	-40.89
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652693	0	35	-1.0	-52.40	299.90	2.45	-49.95
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004652694	0	33	-1.0	-40.74	285.66	2.16	-38.58
O=C(C[C@H]1CCOC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652695	0	35	-1.0	-43.94	291.49	0.80	-43.14
CSC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652696	0	32	-1.0	-39.21	292.72	2.56	-36.65
CC(C)[C@H](O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652697	0	34	-1.0	-41.06	284.30	0.04	-41.02
CCC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652698	0	39	-1.0	-41.29	316.08	3.46	-37.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(O)C1CC1	REAL250004652699	0	32	-1.0	-50.10	280.33	0.05	-50.05
CC(C)[C@@H](O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652700	0	34	-1.0	-49.39	283.62	0.38	-49.01
CC(O)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652701	0	35	-1.0	-39.85	293.15	-0.52	-40.37
CC1(C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652702	0	37	-1.0	-50.84	298.02	3.01	-47.83
CC1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL250004652703	0	34	-1.0	-49.32	296.17	2.42	-46.90
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CN1	REAL250004652704	0	35	-1.0	-52.29	299.77	2.22	-50.07
CCC(C)(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652705	0	34	-1.0	-42.73	292.31	2.01	-40.72
O=C(COC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652706	0	28	-1.0	-43.28	261.61	0.38	-42.90
CN1N=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652707	0	30	-1.0	-48.96	273.52	-0.80	-49.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC(=O)N1	REAL250004652708	0	30	-1.0	-61.14	269.68	-2.64	-63.78
CC1=COC(C)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652709	0	34	-1.0	-50.49	301.18	2.46	-48.03
CON=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652710	0	28	-1.0	-52.50	260.02	-0.68	-53.18
CC1=NC=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652711	0	34	-1.0	-48.53	299.13	2.61	-45.92
C=CC(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652712	0	32	-1.0	-40.05	277.87	-1.08	-41.13
CN(C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652713	0	36	-1.0	-39.55	299.45	0.38	-39.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CN1	REAL250004652714	0	28	-1.0	-48.94	256.04	-0.22	-49.16
CC(C)C#CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652715	0	32	-1.0	-49.84	286.96	2.79	-47.05
CC1=CNN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652716	0	31	-1.0	-44.10	273.97	0.21	-43.89
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CCC1	REAL250004652717	0	38	-1.0	-51.42	305.90	3.53	-47.89
O=C(CC1(O)CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652718	0	35	-1.0	-42.31	292.26	0.81	-41.50
O=C(CC1CCC2CC21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652719	0	38	-1.0	-41.09	308.73	4.05	-37.04
CC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652720	0	34	-1.0	-50.45	290.86	2.95	-47.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1(F)F	REAL250004652721	0	28	-1.0	-50.19	260.82	1.69	-48.50
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)=C1CCC1	REAL250004652722	0	35	-1.0	-51.24	294.23	3.52	-47.72
CC(C)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652723	0	39	-1.0	-41.41	319.35	3.59	-37.82
CC1=CN=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652724	0	33	-1.0	-49.89	284.17	1.97	-47.92
COCC#CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652725	0	30	-1.0	-52.25	278.34	0.44	-51.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NSC=C1	REAL250004652726	0	27	-1.0	-48.70	259.44	0.52	-48.18
C#CCOC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652727	0	33	-1.0	-46.46	297.36	2.24	-44.22
CCC(C)=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652728	0	34	-1.0	-49.15	288.89	2.81	-46.34
O=C(C=CC1=CNN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652729	0	32	-1.0	-53.28	288.24	0.79	-52.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NN=C1	REAL250004652730	0	30	-1.0	-54.32	272.90	-1.41	-55.73
CC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652731	0	32	-1.0	-60.96	282.96	1.31	-59.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CNC(=O)O1	REAL250004652732	0	30	-1.0	-65.38	269.73	-2.27	-67.65
C=CC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652733	0	34	-1.0	-40.94	284.80	2.36	-38.58
O=C(CSC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652734	0	32	-1.0	-53.22	292.40	2.90	-50.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@@H]1C1CC1	REAL250004652735	0	35	-1.0	-41.08	301.48	3.77	-37.31
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL250004652736	0	34	-1.0	-49.27	299.70	1.74	-47.53
CCC1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652737	0	34	-1.0	-50.24	285.39	2.97	-47.27
O=C(CC1=NC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652738	0	31	-1.0	-49.63	276.16	0.46	-49.17
C=CC(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652739	0	29	-1.0	-41.39	261.51	-0.94	-42.33
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)(F)F	REAL250004652740	0	33	-1.0	-46.01	284.20	2.18	-43.83
N#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652741	0	31	-1.0	-50.28	279.64	2.04	-48.24
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)N1	REAL250004652742	0	34	-1.0	-50.74	295.56	1.02	-49.72
CC1=NC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004652742	1	34	-1.0	-52.55	294.63	1.06	-51.49
CC(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652743	0	27	-1.0	-37.78	249.22	0.95	-36.83
O=CC1=CNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652744	0	31	-1.0	-64.24	284.27	0.62	-63.62
C=CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652745	0	37	-1.0	-40.76	305.20	3.07	-37.69
N#CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652746	0	32	-1.0	-64.27	285.28	2.38	-61.89
CCCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652747	0	37	-1.0	-42.30	312.78	2.36	-39.94
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652748	0	37	-1.0	-50.67	312.09	3.74	-46.93
CCC(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652749	0	34	-1.0	-44.83	289.46	-0.17	-45.00
O=C(CCCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652750	0	37	-1.0	-41.78	311.90	3.87	-37.91
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652751	0	29	-1.0	-47.79	267.45	1.76	-46.03
CN1N=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652752	0	29	-1.0	-50.37	268.14	-1.23	-51.60
CC1CC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652753	0	34	-1.0	-51.14	289.90	2.96	-48.18
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL250004652754	0	30	-1.0	-49.17	274.02	-0.63	-49.80
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004652755	0	37	-1.0	-51.11	299.19	3.21	-47.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCOC1	REAL250004652756	0	32	-1.0	-47.99	277.77	0.05	-47.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CCF)CC1	REAL250004652757	0	34	-1.0	-41.03	296.91	2.89	-38.14
O=C(CN1C=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652758	0	31	-1.0	-58.85	278.15	2.81	-56.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)N1	REAL250004652759	0	29	-1.0	-48.10	262.46	-2.80	-50.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCNC1=O	REAL250004652760	0	32	-1.0	-47.76	277.93	-1.65	-49.41
O=C(C=CC1=NC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652761	0	32	-1.0	-51.62	289.88	1.19	-50.43
CC1CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652762	0	38	-1.0	-50.12	309.56	3.89	-46.23
O=C(CC1CC(=O)N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652763	0	32	-1.0	-47.51	282.64	-1.94	-49.45
O=C(CCC1=CNN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652764	0	34	-1.0	-44.83	298.55	1.02	-43.81
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL250004652765	0	37	-1.0	-51.13	303.71	3.37	-47.76
O=C(C#CC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652766	0	30	-1.0	-50.22	276.35	2.97	-47.25
CC(C)(C)C#CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652767	0	35	-1.0	-49.77	307.09	3.32	-46.45
CC1=CN(C)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652768	0	34	-1.0	-52.57	296.75	1.54	-51.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CCOC1	REAL250004652769	0	33	-1.0	-52.11	279.43	-2.99	-55.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(O)C1CCC1	REAL250004652770	0	35	-1.0	-50.55	291.92	0.90	-49.65
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)N=C1	REAL250004652771	0	34	-1.0	-41.26	289.16	1.71	-39.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004652772	0	30	-1.0	-52.57	277.05	1.87	-50.70
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL250004652773	0	32	-1.0	-48.83	286.87	0.80	-48.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2CC2C1	REAL250004652774	0	38	-1.0	-40.39	305.54	3.93	-36.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CC2	REAL250004652775	0	32	-1.0	-51.10	280.26	2.99	-48.11
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1(F)F	REAL250004652776	0	31	-1.0	-54.11	276.91	2.32	-51.79
O=C(CC1=NN=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652777	0	30	-1.0	-67.27	270.80	1.14	-66.13
O=C(CC1=NNC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652777	1	30	-1.0	-58.51	271.92	0.59	-57.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)=C1CCC1	REAL250004652778	0	32	-1.0	-46.08	282.07	2.84	-43.24
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1F	REAL250004652779	0	31	-1.0	-44.61	270.14	2.22	-42.39
C=C(C)C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652780	0	37	-1.0	-40.83	301.36	2.88	-37.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)C1	REAL250004652781	0	38	-1.0	-41.02	313.16	3.88	-37.14
CCN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652782	0	34	-1.0	-52.52	299.60	1.71	-50.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CC1	REAL250004652783	0	28	-1.0	-46.64	254.37	1.58	-45.06
O=C(C=CC1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652784	0	38	-1.0	-50.35	316.47	4.01	-46.34
COC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652785	0	32	-1.0	-41.93	276.10	1.11	-40.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(=O)C1	REAL250004652786	0	33	-1.0	-50.71	284.49	1.72	-48.99
CN1C=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652787	0	34	-1.0	-59.79	299.33	1.51	-58.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CCC1	REAL250004652788	0	34	-1.0	-48.44	285.04	2.61	-45.83
CC1=NOC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652789	0	30	-1.0	-53.00	270.40	1.10	-51.90
CC=C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652790	0	28	-1.0	-45.75	256.12	1.42	-44.33
CCC=C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652791	0	31	-1.0	-45.42	276.42	2.16	-43.26
O=C(CC1CSC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652792	0	32	-1.0	-45.25	285.25	2.43	-42.82
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL250004652793	0	31	-1.0	-45.36	273.61	1.18	-44.18
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL250004652793	1	31	-1.0	-53.45	272.63	1.22	-52.23
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL250004652794	0	34	-1.0	-51.64	294.94	1.91	-49.73
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL250004652794	1	34	-1.0	-53.14	294.39	1.94	-51.20
COC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652795	0	32	-1.0	-43.20	275.26	-0.32	-43.52
N#CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652796	0	34	-1.0	-46.24	301.14	2.82	-43.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CC1	REAL250004652797	0	31	-1.0	-49.63	275.06	2.21	-47.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CSC1	REAL250004652798	0	29	-1.0	-41.17	264.16	1.68	-39.49
CCC(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652799	0	34	-1.0	-41.26	285.18	-1.16	-42.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004652800	0	38	-1.0	-50.70	317.81	4.26	-46.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1COC2	REAL250004652801	0	33	-1.0	-40.26	283.70	0.77	-39.49
CCC(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652802	0	31	-1.0	-42.52	277.28	1.69	-40.83
CCCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652803	0	39	-1.0	-41.12	311.77	3.23	-37.89
CSC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652804	0	34	-1.0	-43.07	292.97	2.32	-40.75
CC(C)(O)C(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652805	0	35	-1.0	-41.26	291.88	-2.79	-44.05
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(=O)C1	REAL250004652806	0	33	-1.0	-50.75	285.12	1.66	-49.09
CCC(O)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652807	0	37	-1.0	-44.37	304.94	0.55	-43.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CC2C1	REAL250004652808	0	35	-1.0	-40.70	289.99	3.29	-37.41
CC=CC(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652809	0	32	-1.0	-41.10	283.21	-0.08	-41.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CC21	REAL250004652810	0	38	-1.0	-50.66	305.80	3.89	-46.77
CC1=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL250004652811	0	34	-1.0	-55.33	297.71	2.49	-52.84
CC1(C)CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652812	0	37	-1.0	-50.19	298.68	3.23	-46.96
O=C(COCC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652813	0	31	-1.0	-49.97	284.88	1.29	-48.68
CCCC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652814	0	34	-1.0	-50.30	293.72	2.89	-47.41
CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652815	0	30	-1.0	-48.96	273.95	-1.50	-50.46
CC1=COC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652816	0	31	-1.0	-53.95	275.22	1.72	-52.23
COCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652817	0	35	-1.0	-42.49	300.78	0.20	-42.29
CN1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652818	0	36	-1.0	-52.60	297.96	0.08	-52.52
CN1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652819	0	36	-1.0	-42.79	298.54	0.27	-42.52
C[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004652820	1	35	-1.0	-51.05	282.71	-0.58	-51.63
COC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652821	0	35	-1.0	-40.76	297.68	1.03	-39.73
CC(CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652822	0	30	-1.0	-40.01	263.16	1.53	-38.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1COC(=O)N1	REAL250004652823	0	30	-1.0	-50.56	269.99	-2.69	-53.25
CC1=CN=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652824	0	34	-1.0	-59.19	298.17	3.27	-55.92
CCC(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652825	0	30	-1.0	-37.43	269.13	1.67	-35.76
CCN1C=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652826	0	34	-1.0	-51.81	300.37	3.17	-48.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004652827	0	33	-1.0	-40.81	283.36	0.90	-39.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004652828	0	35	-1.0	-41.01	291.72	3.37	-37.64
CC1=NC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652829	0	32	-1.0	-49.14	281.19	0.11	-49.03
C=C1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652830	0	35	-1.0	-49.93	295.12	3.08	-46.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC2)C1	REAL250004652831	0	35	-1.0	-40.94	296.38	3.43	-37.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1COC(=O)N1	REAL250004652832	0	30	-1.0	-60.61	270.00	-2.65	-63.26
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004652833	1	35	-1.0	-41.43	283.47	-0.49	-41.92
O=C(NC1=CC(N2N=N[N-]C2=O)=CC=C1)[C@H]1C[C@@H](O)C1	REAL250004652834	0	32	-1.0	-45.06	275.75	-1.39	-46.45
CCC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652835	0	31	-1.0	-50.43	272.23	2.11	-48.32
CC1=CC=NN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652836	0	34	-1.0	-58.18	299.28	1.65	-56.53
CC(Cl)=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652837	0	28	-1.0	-52.39	263.46	1.88	-50.51
CC1=C(C)NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652838	0	34	-1.0	-48.69	297.69	0.89	-47.80
C=C1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652839	0	29	-1.0	-41.21	261.64	2.09	-39.12
NC(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652840	0	31	-1.0	-44.05	274.97	-2.41	-46.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=CN1	REAL250004652841	1	30	-1.0	-66.14	273.48	-0.72	-66.86
O=C(CC1=CON=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652842	0	30	-1.0	-56.36	272.29	1.13	-55.23
CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1C	REAL250004652843	0	34	-1.0	-54.86	291.28	2.16	-52.70
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652844	0	32	-1.0	-61.02	280.50	-0.62	-61.64
CC[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004652845	1	38	-1.0	-40.03	302.72	0.37	-39.66
CC[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004652846	1	38	-1.0	-48.53	302.96	0.46	-48.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCC(=O)O1	REAL250004652847	0	31	-1.0	-64.88	275.93	1.93	-62.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC1CCCC2	REAL250004652848	0	38	-1.0	-50.61	305.63	3.84	-46.77
CCOC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652849	0	37	-1.0	-43.75	303.91	2.13	-41.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2CC2)C1	REAL250004652850	0	38	-1.0	-41.45	317.24	4.23	-37.22
O=C(CC1=CNC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652851	0	31	-1.0	-48.97	276.09	1.40	-47.57
O=C(CC1=CN=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652851	1	31	-1.0	-58.34	276.68	1.22	-57.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC(=O)N1	REAL250004652852	0	32	-1.0	-59.02	279.62	-1.35	-60.37
CC1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1C1CC1	REAL250004652853	0	38	-1.0	-40.49	314.68	4.37	-36.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC12CC2	REAL250004652854	0	38	-1.0	-50.20	311.33	3.83	-46.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=N1	REAL250004652855	0	29	-1.0	-49.25	264.94	0.21	-49.04
COCC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652856	0	32	-1.0	-53.18	284.49	0.39	-52.79
N#CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004652857	0	29	-1.0	-54.98	277.22	1.56	-53.42
NC1=CC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652858	0	32	-1.0	-48.59	280.47	-0.45	-49.04
CC1=CON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652859	0	30	-1.0	-42.57	270.50	0.98	-41.59
CC1CC1C1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652860	0	38	-1.0	-50.80	317.18	4.21	-46.59
CC1(C#CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652861	0	33	-1.0	-50.14	297.28	3.47	-46.67
C=CC=CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652862	0	32	-1.0	-42.14	285.45	2.72	-39.42
NC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=N1	REAL250004652863	0	32	-1.0	-51.56	283.31	0.03	-51.53
CCCC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652864	0	39	-1.0	-40.72	312.94	3.80	-36.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2(CC2)C12CC2	REAL250004652865	0	36	-1.0	-51.03	312.75	4.48	-46.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC=CCC1	REAL250004652866	0	38	-1.0	-40.88	304.71	3.78	-37.10
CC1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652867	0	31	-1.0	-49.60	279.07	1.75	-47.85
NC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652868	0	32	-1.0	-50.38	285.28	-0.78	-51.16
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652869	0	38	-1.0	-42.05	322.07	4.55	-37.50
C=CC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652870	0	37	-1.0	-40.40	299.14	3.03	-37.37
O=C(COC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652871	0	32	-1.0	-55.93	282.24	1.77	-54.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)C=CN1	REAL250004652872	0	31	-1.0	-64.52	277.87	0.81	-63.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSN=C1	REAL250004652873	0	27	-1.0	-51.47	258.88	0.68	-50.79
CC1=CN(C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652874	0	35	-1.0	-56.76	301.48	3.34	-53.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)O1	REAL250004652875	0	28	-1.0	-45.34	263.32	1.20	-44.14
CC1COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652876	0	35	-1.0	-54.87	293.84	1.81	-53.06
CCN1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652877	0	36	-1.0	-43.41	301.16	-0.41	-43.82
O=C(CCCCCO)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652878	0	37	-1.0	-44.58	313.20	-0.25	-44.83
C=C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652879	0	38	-1.0	-40.62	310.61	3.74	-36.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NS1	REAL250004652880	0	27	-1.0	-48.31	260.19	0.69	-47.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CCC1	REAL250004652881	0	38	-1.0	-50.30	305.90	3.98	-46.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CC1	REAL250004652882	0	35	-1.0	-41.20	289.77	3.72	-37.48
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652883	0	38	-1.0	-40.68	308.70	3.81	-36.87
C#CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652884	0	30	-1.0	-45.37	287.59	2.60	-42.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC=N1	REAL250004652885	0	29	-1.0	-55.23	265.77	0.53	-54.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2CCC(=O)C21	REAL250004652886	0	34	-1.0	-49.17	287.25	2.21	-46.96
C=C(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652887	0	31	-1.0	-49.59	269.14	2.01	-47.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1CCC2	REAL250004652888	0	35	-1.0	-50.90	292.25	3.31	-47.59
O=C(CC1CC=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652889	0	38	-1.0	-42.37	309.53	3.90	-38.47
C=C(CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652891	0	37	-1.0	-49.11	308.07	3.30	-45.81
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CCC1	REAL250004652892	0	35	-1.0	-49.82	292.07	3.05	-46.77
CCC[C@H](O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652893	0	34	-1.0	-50.58	290.06	0.13	-50.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)CO	REAL250004652894	0	28	-1.0	-40.47	258.75	-1.12	-41.59
CCOC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652895	0	32	-1.0	-48.81	284.20	1.00	-47.81
CC1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652896	0	30	-1.0	-53.82	274.09	-1.70	-55.52
CCC(C)(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652897	0	34	-1.0	-39.90	284.31	-1.16	-41.06
C=CC(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652898	0	37	-1.0	-41.63	308.84	3.33	-38.30
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL250004652899	0	35	-1.0	-51.03	291.45	3.08	-47.95
O=C(CC1=CN=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652900	0	32	-1.0	-46.39	286.94	1.75	-44.64
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN=N1	REAL250004652901	0	32	-1.0	-49.31	284.77	0.82	-48.49
CC[C@H](C)[C@H](O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652902	0	37	-1.0	-49.60	300.41	1.03	-48.57
O=C(C=CCO)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652905	0	29	-1.0	-54.61	262.25	-2.01	-56.62
CNC(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652906	0	34	-1.0	-44.09	296.90	-0.93	-45.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCCC21	REAL250004652907	0	38	-1.0	-41.33	301.85	3.78	-37.55
CC1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652908	0	37	-1.0	-50.87	306.76	3.45	-47.42
O=CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004652909	0	30	-1.0	-55.41	279.94	1.45	-53.96
NC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652910	0	29	-1.0	-49.63	267.11	-4.15	-53.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1F	REAL250004652911	0	31	-1.0	-52.03	270.97	2.12	-49.91
CCC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004652912	0	34	-1.0	-50.88	299.02	1.08	-49.80
COC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652913	0	35	-1.0	-44.72	300.11	1.62	-43.10
C#CC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652914	0	32	-1.0	-42.69	281.86	2.40	-40.29
C=C(CCC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652915	0	34	-1.0	-49.26	290.63	2.79	-46.47
C#CC1(O)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652916	0	34	-1.0	-52.20	302.29	-0.24	-52.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1CF	REAL250004652917	0	31	-1.0	-43.62	276.05	2.32	-41.30
CC(C)(CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652918	0	33	-1.0	-39.45	281.04	2.06	-37.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CCO1	REAL250004652919	0	33	-1.0	-54.23	283.36	1.89	-52.34
O=C(CC1CC(F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652920	0	34	-1.0	-55.45	291.74	2.91	-52.54
O=C(CC(O)C1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652921	0	35	-1.0	-44.62	296.95	0.80	-43.82
C=C(C)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652922	0	37	-1.0	-42.25	314.98	3.52	-38.73
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652923	0	29	-1.0	-43.29	269.08	1.94	-41.35
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL250004652924	0	33	-1.0	-41.58	291.73	2.62	-38.96
O=C(CCC[N+](=O)[O-])NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652925	0	32	-1.0	-48.36	287.88	1.93	-46.43
CC1(C)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652926	0	35	-1.0	-50.56	300.08	3.27	-47.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CO)CCC1	REAL250004652927	0	35	-1.0	-43.33	290.39	-0.13	-43.46
CC(O)C(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652928	0	31	-1.0	-39.32	277.84	-0.29	-39.61
N#C[C@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652929	0	29	-1.0	-65.34	264.78	1.84	-63.50
C=C(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652930	0	34	-1.0	-40.97	293.21	2.75	-38.22
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004652931	0	39	-1.0	-40.66	308.04	3.58	-37.08
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1C	REAL250004652932	0	34	-1.0	-52.77	297.90	1.33	-51.44
O=C(C#CC1CCCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652933	0	34	-1.0	-52.40	301.41	1.69	-50.71
CC1=C(C)NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652934	0	35	-1.0	-52.84	301.25	2.03	-50.81
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)=C1CC1	REAL250004652935	0	32	-1.0	-51.35	280.13	3.01	-48.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)COC1	REAL250004652936	0	30	-1.0	-41.06	262.86	-3.26	-44.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCS1	REAL250004652937	0	30	-1.0	-49.21	274.67	2.28	-46.93
CC(=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004652938	0	37	-1.0	-49.10	305.70	3.31	-45.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)C1	REAL250004652939	0	31	-1.0	-41.70	270.52	2.11	-39.59
CCC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652940	0	30	-1.0	-40.62	265.09	1.56	-39.06
N#CC1=CNN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652941	0	29	-1.0	-60.76	276.08	-0.02	-60.78
O=C(C=CC1=COC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652942	0	31	-1.0	-52.16	285.41	-0.93	-53.09
O=C(CCC1=NNC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652943	0	34	-1.0	-44.57	298.55	0.91	-43.66
CC1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652944	0	37	-1.0	-50.62	297.30	3.00	-47.62
CCC1=CNC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652945	0	35	-1.0	-57.05	300.71	2.37	-54.68
C#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL250004652946	0	36	-1.0	-40.37	305.53	3.56	-36.81
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C#N)C1	REAL250004652947	0	35	-1.0	-51.04	298.11	2.65	-48.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CO)CC1	REAL250004652948	0	32	-1.0	-45.19	280.27	-1.30	-46.49
O=C(CC1=CNN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652949	0	31	-1.0	-56.13	277.15	0.22	-55.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CN1	REAL250004652950	0	28	-1.0	-48.94	256.04	-0.22	-49.16
C=C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004652951	0	34	-1.0	-40.75	279.35	3.11	-37.64
CN1N=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652952	0	34	-1.0	-57.66	297.57	1.25	-56.41
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCO1	REAL250004652953	0	33	-1.0	-49.37	281.17	1.41	-47.96
CCN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652954	0	35	-1.0	-41.67	295.95	3.38	-38.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)=CC1CC1	REAL250004652955	0	32	-1.0	-45.47	287.38	2.99	-42.48
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)C=N1	REAL250004652956	0	34	-1.0	-44.12	289.46	2.98	-41.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1F	REAL250004652957	0	28	-1.0	-40.15	254.89	1.61	-38.54
O=C(CN1N=CN=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652958	0	29	-1.0	-59.89	267.62	-0.08	-59.97
CC(C)=CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652959	0	37	-1.0	-41.09	310.94	3.52	-37.57
O=C(C=CC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652960	0	32	-1.0	-50.53	282.83	2.95	-47.58
CN1C=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652961	0	31	-1.0	-48.60	274.05	1.52	-47.08
CC(C)NC(=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652962	0	34	-1.0	-44.53	296.94	-0.78	-45.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)CC1CC1	REAL250004652963	0	34	-1.0	-41.05	297.24	3.11	-37.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C=CCC1	REAL250004652964	0	32	-1.0	-49.62	273.21	2.53	-47.09
CC(=CC1CC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652965	0	35	-1.0	-50.77	296.46	3.58	-47.19
O=C(CCOC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652966	0	35	-1.0	-41.09	303.18	1.57	-39.52
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652967	0	35	-1.0	-41.03	303.40	3.32	-37.71
CCCC(O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652968	0	34	-1.0	-41.48	290.68	0.12	-41.36
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(F)C1	REAL250004652969	0	34	-1.0	-48.73	286.14	2.58	-46.15
CCSC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652970	0	34	-1.0	-42.78	300.54	2.63	-40.15
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004652971	0	33	-1.0	-52.90	287.22	2.32	-50.58
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652972	0	31	-1.0	-50.50	269.19	2.20	-48.30
CC(C)CC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652973	0	36	-1.0	-40.89	302.26	2.80	-38.09
C=C(Cl)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652974	0	31	-1.0	-41.50	288.62	2.61	-38.89
C=CN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652975	0	32	-1.0	-51.88	285.44	1.84	-50.04
CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004652976	0	35	-1.0	-51.84	303.47	2.15	-49.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CC1	REAL250004652977	0	29	-1.0	-49.17	256.39	-1.55	-50.72
CCC1(C)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652978	0	38	-1.0	-50.73	317.43	3.80	-46.93
CCC(F)(F)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652979	0	33	-1.0	-47.05	289.37	2.41	-44.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(C1)N=N2	REAL250004652980	0	34	-1.0	-41.52	293.27	-2.62	-44.14
CCC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)OC	REAL250004652981	0	37	-1.0	-42.98	306.73	1.74	-41.24
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652982	0	37	-1.0	-40.90	309.65	3.51	-37.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)CO2	REAL250004652983	0	33	-1.0	-48.29	280.85	0.75	-47.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC=CCC1	REAL250004652984	0	35	-1.0	-40.53	290.95	3.21	-37.32
O=C(CC1CC(=O)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652985	0	33	-1.0	-47.24	288.20	1.89	-45.35
CN(C)C(=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652986	0	31	-1.0	-44.46	270.02	-0.43	-44.89
COC(=O)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652987	0	33	-1.0	-47.37	289.17	2.26	-45.11
CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004652988	0	32	-1.0	-55.42	287.46	1.15	-54.27
CC(C)(CC#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652989	0	34	-1.0	-41.88	293.07	2.16	-39.72
CC1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL250004652990	0	33	-1.0	-40.37	290.95	-2.61	-42.98
CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652991	0	33	-1.0	-50.17	291.38	2.00	-48.17
CC1(F)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004652992	0	34	-1.0	-39.96	291.52	2.72	-37.24
CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652993	0	31	-1.0	-43.17	281.82	2.08	-41.09
CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004652994	0	35	-1.0	-55.45	294.87	1.96	-53.49
CC1(C)CC1(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652995	0	35	-1.0	-40.16	302.22	2.90	-37.26
O=C(C[C@@H]1CC=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652996	0	38	-1.0	-51.39	309.42	3.91	-47.48
CCC1=CNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004652997	0	35	-1.0	-53.32	303.43	2.29	-51.03
CC1=CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652998	0	38	-1.0	-49.67	311.04	3.83	-45.84
O=C(CC12CC(C1)C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652999	0	35	-1.0	-42.22	291.06	3.45	-38.77
CCC=CC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653000	0	35	-1.0	-50.48	307.39	3.55	-46.93
O=C(CC1CC=CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653001	0	35	-1.0	-42.15	293.33	3.28	-38.87
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004653002	0	32	-1.0	-57.59	281.87	1.50	-56.09
O=C(CCCCCF)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653003	0	36	-1.0	-43.65	308.37	3.22	-40.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)CO1	REAL250004653004	0	31	-1.0	-55.01	276.39	0.28	-54.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004653005	0	32	-1.0	-43.17	282.85	2.82	-40.35
O=C(CC1CC2CC2C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653006	0	38	-1.0	-51.79	311.07	4.14	-47.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCOC1	REAL250004653007	0	33	-1.0	-50.84	279.96	0.90	-49.94
C=CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004653008	0	35	-1.0	-49.97	291.78	3.43	-46.54
C[C@@H]1C[C@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@H]12	REAL250004653009	0	35	-1.0	-50.43	295.92	3.34	-47.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC(=O)O1	REAL250004653010	0	29	-1.0	-51.28	266.17	1.07	-50.21
CO[C@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653011	0	31	-1.0	-54.29	270.44	0.73	-53.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004653012	0	35	-1.0	-51.15	286.82	3.18	-47.97
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004653013	0	32	-1.0	-52.31	281.99	1.41	-50.90
O=C(CC1CC2(CC2)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653014	0	38	-1.0	-42.28	317.86	4.19	-38.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CC1(F)F	REAL250004653015	0	28	-1.0	-43.70	259.58	1.71	-41.99
C[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL250004653016	0	35	-1.0	-50.87	297.51	3.35	-47.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC(=O)O1	REAL250004653017	0	31	-1.0	-51.41	275.66	1.97	-49.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CCC1	REAL250004653018	0	34	-1.0	-40.98	288.08	2.80	-38.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)OC2	REAL250004653019	0	33	-1.0	-49.92	281.84	0.52	-49.40
C[C@H]1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H]1C	REAL250004653020	0	34	-1.0	-49.23	278.30	2.69	-46.54
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653021	0	35	-1.0	-54.25	289.74	0.73	-53.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC1(F)F	REAL250004653022	0	28	-1.0	-50.18	260.81	1.69	-48.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004653023	0	31	-1.0	-52.72	274.81	2.50	-50.22
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(=O)C1	REAL250004653024	0	31	-1.0	-44.75	285.82	1.24	-43.51
[N-]=[N+]=NCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653026	0	29	-1.0	-40.73	267.42	-2.63	-43.36
[N-]=[N+]=NCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653027	0	32	-1.0	-44.55	288.92	-1.83	-46.38
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CCCC1	REAL250004653028	0	38	-1.0	-40.57	305.88	3.63	-36.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC2)CC1	REAL250004653029	0	38	-1.0	-41.05	305.56	4.07	-36.98
CC(C)(F)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653030	0	36	-1.0	-41.21	302.79	2.84	-38.37
O=C(CN1C=NC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653031	0	30	-1.0	-63.10	272.32	2.61	-60.49
C#CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653032	0	30	-1.0	-46.91	277.65	1.52	-45.39
C#C[C@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653033	0	30	-1.0	-54.27	270.67	2.70	-51.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CC(=O)N1	REAL250004653034	0	29	-1.0	-48.65	261.76	-2.88	-51.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2C3CC1CC32	REAL250004653035	0	36	-1.0	-51.89	295.14	3.68	-48.21
O=C(C=CC1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004653036	0	35	-1.0	-50.32	299.55	3.46	-46.86
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL250004653037	0	35	-1.0	-57.62	301.94	3.12	-54.50
COC(=O)[C@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653038	0	38	-1.0	-45.86	313.37	3.60	-42.26
COC(=O)[C@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653038	1	38	-1.0	-45.87	313.43	3.62	-42.25
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1C	REAL250004653039	0	39	-1.0	-47.47	309.34	3.30	-44.17
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1C	REAL250004653039	1	39	-1.0	-47.48	309.40	3.32	-44.16
CC(C)(C#N)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653041	0	39	-1.0	-49.85	329.59	5.31	-44.54
CC(C)(C#N)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653041	1	39	-1.0	-49.82	329.65	5.33	-44.49
N#CC(C#N)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653042	0	37	-1.0	-53.55	314.72	4.63	-48.92
N#CC(C#N)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653042	1	37	-1.0	-53.55	314.78	4.65	-48.90
O=C(CCCC1=N[N-]N=N1)NC1(CCO)CCCSC1	REAL250004653043	0	40	-1.0	-51.97	317.84	1.42	-50.55
O=C(CCCC1=NN=N[N-]1)NC1(CCO)CCCSC1	REAL250004653043	1	40	-1.0	-52.02	317.89	1.43	-50.59
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H](O)[C@H](O)C1	REAL250004653044	0	34	-1.0	-56.58	284.01	-1.51	-58.09
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H](O)[C@H](O)C1	REAL250004653044	1	34	-1.0	-55.91	284.66	-1.48	-57.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)[C@H](O)C1	REAL250004653045	0	31	-1.0	-37.79	272.62	-3.73	-41.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H](O)C1	REAL250004653045	1	31	-1.0	-37.74	272.69	-3.72	-41.46
O=C(NC1CCC12CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653046	0	39	-1.0	-53.03	316.01	6.77	-46.26
O=C(NC1CCC12CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653046	1	39	-1.0	-52.83	316.11	6.76	-46.07
O=C(NC1CCC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653047	0	36	-1.0	-35.07	302.26	3.64	-31.43
O=C(NC1CCC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653047	1	36	-1.0	-34.98	302.33	3.65	-31.33
O=C(CCCC1=N[N-]N=N1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2	REAL250004653048	0	37	-1.0	-49.52	284.50	2.19	-47.33
O=C(CCCC1=NN=N[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2	REAL250004653048	1	37	-1.0	-49.51	284.56	2.21	-47.30
COCC1(NC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004653049	0	36	-1.0	-46.86	306.91	1.56	-45.30
COCC1(NC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004653049	1	36	-1.0	-46.88	306.97	1.58	-45.30
COC1=CC(C)=NC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653050	0	38	-1.0	-51.09	323.20	2.49	-48.60
COC1=CC(C)=NC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653050	1	38	-1.0	-51.14	323.26	2.50	-48.64
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN2N=CN=C12	REAL250004653051	0	31	-1.0	-59.34	277.71	3.69	-55.65
O=C(CCCC1=N[N-]N=N1)NC1=CC=CN2N=CN=C12	REAL250004653051	1	31	-1.0	-59.33	277.66	3.67	-55.66
CC12CCC(=O)N1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004653052	0	37	-1.0	-48.29	303.41	2.42	-45.87
CC12CCC(=O)N1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004653052	1	37	-1.0	-48.29	303.47	2.43	-45.86
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2C=CNC=C21	REAL250004653053	0	31	-1.0	-82.71	276.28	1.87	-80.84
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2C=CNC=C21	REAL250004653053	1	31	-1.0	-82.72	276.34	1.88	-80.84
CC(=O)C1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653054	0	34	-1.0	-46.90	295.09	4.28	-42.62
CC(=O)C1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653054	1	34	-1.0	-46.90	295.15	4.30	-42.60
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(=O)C2	REAL250004653055	0	38	-1.0	-47.43	293.22	4.38	-43.05
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(=O)C2	REAL250004653055	1	38	-1.0	-47.42	293.27	4.39	-43.03
CC1C2=CN=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653056	0	38	-1.0	-50.05	309.19	4.70	-45.35
CC1C2=CN=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653056	1	38	-1.0	-50.11	309.25	4.72	-45.39
C#CC(CC1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653057	0	41	-1.0	-48.26	333.40	4.24	-44.02
C#CC(CC1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653057	1	41	-1.0	-48.24	333.46	4.26	-43.98
CC1(NC(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL250004653058	0	42	-1.0	-48.13	329.00	6.02	-42.11
CC1(NC(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL250004653058	1	42	-1.0	-48.17	329.06	6.04	-42.13
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004653060	0	44	-1.0	-46.27	313.46	6.02	-40.25
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004653060	1	44	-1.0	-46.26	313.52	6.03	-40.23
COC1=NSC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653061	0	35	-1.0	-46.23	315.55	0.21	-46.02
COC1=NSC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653061	1	35	-1.0	-46.24	315.61	0.23	-46.01
O=C(CCCC1=N[N-]N=N1)NC1CCN2C(=O)NN=C2C1	REAL250004653062	0	36	-1.0	-53.59	305.24	0.76	-52.83
O=C(CCCC1=NN=N[N-]1)NC1CCN2C(=O)NN=C2C1	REAL250004653062	1	36	-1.0	-53.60	305.30	0.77	-52.83
COC1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653063	0	35	-1.0	-52.98	299.34	2.60	-50.38
COC1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653063	1	35	-1.0	-52.95	299.28	2.59	-50.36
COCC1(NC(=O)CCCC2=N[N-]N=N2)CC=CCC1	REAL250004653064	0	40	-1.0	-45.62	317.58	3.04	-42.58
COCC1(NC(=O)CCCC2=NN=N[N-]2)CC=CCC1	REAL250004653064	1	40	-1.0	-45.65	317.64	3.05	-42.60
CNC(=O)C1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653065	0	37	-1.0	-55.66	301.33	0.52	-55.14
CNC(=O)C1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653065	1	37	-1.0	-55.66	301.39	0.53	-55.13
O=C(CCCC1=NN=N[N-]1)NC1=CN=NN1C1CC1	REAL250004653066	0	32	-1.0	-52.06	280.42	2.29	-49.77
O=C(CCCC1=N[N-]N=N1)NC1=CN=NN1C1CC1	REAL250004653066	1	32	-1.0	-52.02	280.36	2.28	-49.74
O=C(NC1=CN=NN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653067	0	32	-1.0	-36.80	291.00	2.07	-34.73
O=C(NC1=CN=NN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653067	1	32	-1.0	-36.82	290.93	2.07	-34.75
CC(C)(CO)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653068	0	42	-1.0	-50.23	315.73	2.56	-47.67
CC(C)(CO)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653068	1	42	-1.0	-50.25	315.79	2.57	-47.68
CC12CCC(NC(=O)CCCC3=N[N-]N=N3)(CO1)C2	REAL250004653069	0	37	-1.0	-49.27	297.35	1.56	-47.71
CC12CCC(NC(=O)CCCC3=NN=N[N-]3)(CO1)C2	REAL250004653069	1	37	-1.0	-49.30	297.41	1.58	-47.72
C[C@H](ONC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004653070	0	35	-1.0	-53.16	307.19	3.54	-49.62
C[C@H](ONC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004653070	1	35	-1.0	-53.16	307.25	3.55	-49.61
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=N[N-]N=N1	REAL250004653071	0	40	-1.0	-48.36	321.47	3.94	-44.42
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=NN=N[N-]1	REAL250004653071	1	40	-1.0	-48.38	321.53	3.95	-44.43
CC1(CO)CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653072	0	36	-1.0	-47.03	299.81	1.05	-45.98
CC1(CO)CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653072	1	36	-1.0	-47.03	299.86	1.06	-45.97
O=C(CCCC1=N[N-]N=N1)N1CCOCCC12CC2	REAL250004653073	0	37	-1.0	-49.70	294.04	3.38	-46.32
O=C(CCCC1=NN=N[N-]1)N1CCOCCC12CC2	REAL250004653073	1	37	-1.0	-49.71	294.10	3.40	-46.31
O=C(CCCC1=N[N-]N=N1)NC1(CCC(F)(F)F)CC1	REAL250004653074	0	35	-1.0	-49.49	309.92	3.91	-45.58
O=C(CCCC1=NN=N[N-]1)NC1(CCC(F)(F)F)CC1	REAL250004653074	1	35	-1.0	-49.51	309.98	3.93	-45.58
CC(=O)C1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653075	0	37	-1.0	-59.93	313.55	4.68	-55.25
CC(=O)C1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653075	1	37	-1.0	-59.97	313.61	4.70	-55.27
NC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004653076	0	34	-1.0	-45.95	308.55	1.92	-44.03
NC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004653076	1	34	-1.0	-45.98	308.61	1.94	-44.04
COC(=O)CC1(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653077	0	38	-1.0	-47.03	316.11	4.50	-42.53
COC(=O)CC1(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653077	1	38	-1.0	-47.05	316.17	4.51	-42.54
O=C(CCCC1=N[N-]N=N1)NC12COC(C1)CCC2	REAL250004653078	0	37	-1.0	-45.92	286.44	1.52	-44.40
O=C(CCCC1=NN=N[N-]1)NC12COC(C1)CCC2	REAL250004653078	1	37	-1.0	-45.89	286.50	1.53	-44.36
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCC(C2)C1	REAL250004653079	0	42	-1.0	-46.56	304.03	6.17	-40.39
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCC(C2)C1	REAL250004653079	1	42	-1.0	-46.56	304.09	6.18	-40.38
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL250004653080	0	37	-1.0	-49.44	296.50	0.99	-48.45
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL250004653080	1	37	-1.0	-49.45	296.56	1.01	-48.44
C=CCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004653081	0	38	-1.0	-49.94	326.68	4.87	-45.07
C=CCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004653081	1	38	-1.0	-49.93	326.74	4.88	-45.05
CC1=CC(O)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004653082	0	33	-1.0	-48.42	298.76	1.73	-46.69
CC1=CC(O)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004653082	1	33	-1.0	-48.41	298.82	1.74	-46.67
CC1CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653083	0	32	-1.0	-46.64	272.38	3.69	-42.95
CC1CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653083	1	32	-1.0	-46.67	272.43	3.70	-42.97
CC1CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653084	0	32	-1.0	-35.63	279.21	3.85	-31.78
CC1CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653084	1	32	-1.0	-35.63	279.28	3.85	-31.78
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=NO2)CC1	REAL250004653086	0	38	-1.0	-51.86	312.57	4.79	-47.07
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=NO2)CC1	REAL250004653086	1	38	-1.0	-51.85	312.62	4.80	-47.05
CC(C)N(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004653087	0	41	-1.0	-53.16	325.76	3.68	-49.48
CC(C)N(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004653087	1	41	-1.0	-53.14	325.82	3.69	-49.45
CC1=CN=C(N(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004653088	0	31	-1.0	-54.31	277.67	4.35	-49.96
CC1=CN=C(N(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004653088	1	31	-1.0	-54.26	277.61	4.34	-49.92
CCOC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653089	0	36	-1.0	-46.53	310.06	-0.00	-46.53
CCOC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653089	1	36	-1.0	-46.48	310.00	-0.01	-46.49
CC1=CC=C2CCCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004653090	0	42	-1.0	-49.35	334.94	7.70	-41.65
CC1=CC=C2CCCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004653090	1	42	-1.0	-49.36	335.00	7.72	-41.64
COCCOCCONC(=O)CCCC1=N[N-]N=N1	REAL250004653091	0	37	-1.0	-54.47	321.65	1.18	-53.29
COCCOCCONC(=O)CCCC1=NN=N[N-]1	REAL250004653091	1	37	-1.0	-54.50	321.71	1.19	-53.31
O=C(CCCC1=NN=N[N-]1)NC1(C2=NC=CC=N2)CC1	REAL250004653092	0	34	-1.0	-52.45	299.03	2.27	-50.18
O=C(CCCC1=N[N-]N=N1)NC1(C2=NC=CC=N2)CC1	REAL250004653092	1	34	-1.0	-52.44	298.97	2.26	-50.18
C[C@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653093	0	38	-1.0	-46.36	296.34	4.41	-41.95
C[C@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653093	1	38	-1.0	-46.33	296.39	4.42	-41.91
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653094	0	38	-1.0	-35.28	306.92	4.21	-31.07
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653094	1	38	-1.0	-35.23	307.01	4.23	-31.00
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NNN=C2C1	REAL250004653095	0	35	-1.0	-51.65	293.37	0.29	-51.36
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NNN=C2C1	REAL250004653095	1	35	-1.0	-51.65	293.43	0.31	-51.34
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC(=O)C2=C1	REAL250004653096	0	35	-1.0	-64.27	304.12	2.61	-61.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC(=O)C2=C1	REAL250004653096	1	35	-1.0	-64.25	304.18	2.63	-61.62
CC1=CC2=CC=CN=C2C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653097	0	37	-1.0	-50.03	314.15	4.60	-45.43
CC1=CC2=CC=CN=C2C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653097	1	37	-1.0	-50.01	314.10	4.58	-45.43
O=C(CCCC1=N[N-]N=N1)N[C@H]1C(=O)O[C@H]2CCC[C@@H]12	REAL250004653098	0	36	-1.0	-47.60	296.21	3.73	-43.87
O=C(CCCC1=NN=N[N-]1)N[C@H]1C(=O)O[C@H]2CCC[C@@H]12	REAL250004653098	1	36	-1.0	-47.59	296.26	3.74	-43.85
CC1=CC2=C(C=N1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004653099	0	35	-1.0	-45.96	290.10	4.16	-41.80
CC1=CC2=C(C=N1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004653099	1	35	-1.0	-45.96	290.16	4.18	-41.78
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCSC1	REAL250004653100	0	34	-1.0	-44.41	287.29	-0.48	-44.89
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCSC1	REAL250004653100	1	34	-1.0	-44.40	287.35	-0.47	-44.87
CCC(CCCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004653101	0	38	-1.0	-49.48	307.19	0.29	-49.19
CCC(CCCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004653101	1	38	-1.0	-49.52	307.25	0.30	-49.22
CCC(CCCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653102	0	38	-1.0	-38.73	317.78	0.07	-38.66
CCC(CCCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653102	1	38	-1.0	-38.68	317.84	0.08	-38.60
CC(C)CCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004653103	0	41	-1.0	-48.81	327.07	2.33	-46.48
CC(C)CCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004653103	1	41	-1.0	-48.82	327.12	2.35	-46.47
CSC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653104	0	32	-1.0	-51.73	289.86	4.05	-47.68
CSC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653104	1	32	-1.0	-51.72	289.80	4.04	-47.68
COCCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004653105	0	43	-1.0	-47.56	335.50	2.52	-45.04
COCCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004653105	1	43	-1.0	-47.61	335.56	2.53	-45.08
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C(F)(CO)C1	REAL250004653106	0	40	-1.0	-50.60	321.12	1.77	-48.83
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C(F)(CO)C1	REAL250004653106	1	40	-1.0	-50.62	321.17	1.79	-48.83
O=C(CCCC1=N[N-]N=N1)NC1=NC=NN1C1=CC=NC=C1	REAL250004653107	0	34	-1.0	-52.98	301.16	6.18	-46.80
O=C(CCCC1=NN=N[N-]1)NC1=NC=NN1C1=CC=NC=C1	REAL250004653107	1	34	-1.0	-53.00	301.22	6.19	-46.81
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004653108	0	35	-1.0	-47.02	306.23	5.30	-41.72
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004653108	1	35	-1.0	-47.04	306.29	5.31	-41.73
O=C(CCCC1=N[N-]N=N1)N(CC1=CSC=C1)C1CC1	REAL250004653109	0	36	-1.0	-47.05	310.43	5.83	-41.22
O=C(CCCC1=NN=N[N-]1)N(CC1=CSC=C1)C1CC1	REAL250004653109	1	36	-1.0	-47.07	310.48	5.84	-41.23
O=C(CCCC1=N[N-]N=N1)NC1CN(C(=O)C2CC2)C1	REAL250004653111	0	37	-1.0	-51.52	318.04	2.07	-49.45
O=C(CCCC1=NN=N[N-]1)NC1CN(C(=O)C2CC2)C1	REAL250004653111	1	37	-1.0	-51.52	318.10	2.08	-49.44
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(CC2CC2)S1	REAL250004653112	1	34	-1.0	-55.85	309.55	3.79	-52.06
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(CO)=C1	REAL250004653113	0	33	-1.0	-47.77	289.79	0.90	-46.87
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(CO)=C1	REAL250004653113	1	33	-1.0	-47.78	289.85	0.92	-46.86
CC1(C)NC(=O)N(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004653114	0	34	-1.0	-55.86	300.74	-0.61	-56.47
CC1(C)NC(=O)N(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004653114	1	34	-1.0	-55.87	300.79	-0.59	-56.46
O=C(CCCC1=N[N-]N=N1)NC1(C2CCSCC2)CC1	REAL250004653115	0	40	-1.0	-46.35	321.26	4.83	-41.52
O=C(CCCC1=NN=N[N-]1)NC1(C2CCSCC2)CC1	REAL250004653115	1	40	-1.0	-46.37	321.31	4.82	-41.55
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC1C(F)F	REAL250004653116	0	32	-1.0	-63.84	274.82	5.44	-58.40
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC1C(F)F	REAL250004653116	1	32	-1.0	-63.52	275.45	5.47	-58.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C(F)F	REAL250004653117	0	29	-1.0	-37.78	266.94	2.92	-34.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C(F)F	REAL250004653117	1	29	-1.0	-37.77	267.00	2.93	-34.84
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)O2	REAL250004653118	0	32	-1.0	-60.50	280.11	-1.04	-61.54
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)O2	REAL250004653118	1	32	-1.0	-60.47	280.17	-1.02	-61.49
CCCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653119	0	41	-1.0	-48.09	323.14	5.81	-42.28
CCCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653119	1	41	-1.0	-48.10	323.20	5.82	-42.28
COC(=O)C(CC(C)C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004653120	0	41	-1.0	-55.78	339.65	5.28	-50.50
COC(=O)C(CC(C)C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004653120	1	41	-1.0	-55.81	339.71	5.29	-50.52
CC(F)(F)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653121	0	32	-1.0	-50.91	277.78	2.87	-48.04
CC(F)(F)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653121	1	32	-1.0	-50.89	277.84	2.88	-48.01
CC(F)(F)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004653122	0	32	-1.0	-37.34	290.32	2.63	-34.71
CC(F)(F)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004653122	1	32	-1.0	-37.31	290.39	2.63	-34.68
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(F)=C1O	REAL250004653123	1	30	-1.0	-45.67	285.46	1.22	-44.45
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(F)=C1O	REAL250004653123	1	30	-1.0	-45.66	285.52	1.23	-44.43
CC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004653124	0	38	-1.0	-45.31	319.12	5.38	-39.93
CC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004653124	1	38	-1.0	-45.31	319.17	5.40	-39.91
CC1=CN2CCN(C(=O)CCCC3=N[N-]N=N3)C(C)C2=N1	REAL250004653125	0	39	-1.0	-54.10	317.64	4.75	-49.35
CC1=CN2CCN(C(=O)CCCC3=NN=N[N-]3)C(C)C2=N1	REAL250004653125	1	39	-1.0	-54.10	317.70	4.77	-49.33
O=C(CCCC1=N[N-]N=N1)NC1CCC2C1C2(F)F	REAL250004653126	0	33	-1.0	-49.59	285.15	3.38	-46.21
O=C(CCCC1=NN=N[N-]1)NC1CCC2C1C2(F)F	REAL250004653126	1	33	-1.0	-49.59	285.20	3.39	-46.20
CC1(C)CC(CO)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653127	0	42	-1.0	-49.42	330.46	0.76	-48.66
CC1(C)CC(CO)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653127	1	42	-1.0	-49.39	330.51	0.78	-48.61
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC(F)F	REAL250004653128	0	36	-1.0	-47.99	293.37	2.68	-45.31
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC(F)F	REAL250004653128	1	36	-1.0	-48.02	293.43	2.69	-45.33
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2(F)F)C1	REAL250004653129	0	36	-1.0	-46.98	308.33	4.05	-42.93
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2(F)F)C1	REAL250004653129	1	36	-1.0	-47.01	308.38	4.06	-42.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CCC2)C=C1	REAL250004653130	0	38	-1.0	-49.43	311.26	2.42	-47.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CCC2)C=C1	REAL250004653130	1	38	-1.0	-49.43	311.32	2.43	-47.00
COC(=O)CCN(OC)C(=O)CCCC1=N[N-]N=N1	REAL250004653131	0	35	-1.0	-45.66	305.37	3.07	-42.59
COC(=O)CCN(OC)C(=O)CCCC1=NN=N[N-]1	REAL250004653131	1	35	-1.0	-45.67	305.42	3.08	-42.59
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004653132	0	38	-1.0	-49.39	308.72	2.54	-46.85
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004653132	1	38	-1.0	-49.44	308.78	2.55	-46.89
O=C(CCCC1=N[N-]N=N1)NC1CCCC2C1C2(F)F	REAL250004653133	0	36	-1.0	-49.08	299.00	3.91	-45.17
O=C(CCCC1=NN=N[N-]1)NC1CCCC2C1C2(F)F	REAL250004653133	1	36	-1.0	-49.10	299.06	3.93	-45.17
CC1(C)CC2(CC2NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653134	0	39	-1.0	-46.20	319.25	4.39	-41.81
CC1(C)CC2(CC2NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653134	1	39	-1.0	-46.22	319.31	4.41	-41.81
CC1(C)CC2(CC2NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653135	0	39	-1.0	-34.90	329.84	4.19	-30.71
CC1(C)CC2(CC2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653135	1	39	-1.0	-34.85	329.91	4.19	-30.66
NS(=O)(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653136	0	35	-1.0	-55.65	312.60	-5.24	-60.89
NS(=O)(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653136	1	35	-1.0	-55.71	312.65	-5.22	-60.93
CCC(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653137	0	39	-1.0	-51.05	308.50	2.01	-49.04
CCC(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653137	1	39	-1.0	-51.06	308.56	2.03	-49.03
CCC(O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653138	0	39	-1.0	-51.02	308.53	2.01	-49.01
CCC(O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653138	1	39	-1.0	-51.04	308.59	2.03	-49.01
O=C(CCCC1=N[N-]N=N1)N1CC2CC3CC2C1C3	REAL250004653139	0	37	-1.0	-48.27	287.59	5.30	-42.97
O=C(CCCC1=NN=N[N-]1)N1CC2CC3CC2C1C3	REAL250004653139	1	37	-1.0	-48.29	287.65	5.32	-42.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC3CC2C1C3	REAL250004653140	0	37	-1.0	-37.11	294.84	5.50	-31.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC3CC2C1C3	REAL250004653140	1	37	-1.0	-37.13	294.91	5.51	-31.62
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004653141	0	32	-1.0	-47.07	298.11	1.51	-45.56
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004653141	1	32	-1.0	-47.11	298.17	1.52	-45.59
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2F)C1	REAL250004653142	0	36	-1.0	-47.74	306.53	4.01	-43.73
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2F)C1	REAL250004653142	1	36	-1.0	-47.71	306.59	4.03	-43.68
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)(C(F)F)C1	REAL250004653143	0	36	-1.0	-54.27	298.08	1.20	-53.07
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)(C(F)F)C1	REAL250004653143	1	36	-1.0	-54.27	298.14	1.21	-53.06
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2CC2)=NO1	REAL250004653144	0	37	-1.0	-50.14	316.70	2.45	-47.69
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2CC2)=NO1	REAL250004653144	1	37	-1.0	-50.17	316.76	2.46	-47.71
C=CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL250004653145	0	36	-1.0	-53.93	304.12	6.11	-47.82
C=CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL250004653145	1	36	-1.0	-53.71	304.22	6.13	-47.58
C=CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004653146	0	33	-1.0	-35.31	290.00	3.37	-31.94
C=CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004653146	1	33	-1.0	-35.33	290.07	3.39	-31.94
CCCC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004653147	0	40	-1.0	-46.38	334.29	5.20	-41.18
CCCC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004653147	1	40	-1.0	-46.43	334.35	5.22	-41.21
C#CCCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653148	0	39	-1.0	-53.82	335.70	6.97	-46.85
C#CCCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653148	1	39	-1.0	-53.62	335.76	6.99	-46.63
C#CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653149	0	36	-1.0	-36.67	321.54	3.88	-32.79
C#CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653149	1	36	-1.0	-36.61	321.61	3.89	-32.72
O=C(CCCC1=N[N-]N=N1)N1CCOCC12CCOCC2	REAL250004653150	0	41	-1.0	-45.54	305.68	1.72	-43.82
O=C(CCCC1=NN=N[N-]1)N1CCOCC12CCOCC2	REAL250004653150	1	41	-1.0	-45.54	305.73	1.73	-43.81
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC2(C1)N=N2	REAL250004653151	0	35	-1.0	-54.24	292.11	0.72	-53.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC2(C1)N=N2	REAL250004653151	1	35	-1.0	-53.71	292.28	0.80	-52.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(C1)N=N2	REAL250004653152	0	32	-1.0	-37.19	277.62	-1.52	-38.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(C1)N=N2	REAL250004653152	1	32	-1.0	-37.19	277.69	-1.51	-38.70
O=C(CCCC1=N[N-]N=N1)NC12CCC(C1)OC2	REAL250004653153	0	34	-1.0	-49.40	275.73	0.93	-48.47
O=C(CCCC1=NN=N[N-]1)NC12CCC(C1)OC2	REAL250004653153	1	34	-1.0	-49.42	275.79	0.95	-48.47
O=C(NC12CCC(C1)OC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653154	0	34	-1.0	-36.63	286.31	0.70	-35.93
O=C(NC12CCC(C1)OC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653154	1	34	-1.0	-36.59	286.38	0.72	-35.87
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004653155	0	45	-1.0	-47.00	347.29	3.43	-43.57
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004653155	1	45	-1.0	-47.02	347.35	3.45	-43.57
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(O)(C2)C1	REAL250004653156	0	43	-1.0	-46.97	326.68	1.23	-45.74
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCC(O)(C2)C1	REAL250004653156	1	43	-1.0	-46.99	326.74	1.24	-45.75
CC(NC(=O)CCCC1=N[N-]N=N1)C12CCC(CC1)C2	REAL250004653157	0	42	-1.0	-46.14	322.80	4.72	-41.42
CC(NC(=O)CCCC1=NN=N[N-]1)C12CCC(CC1)C2	REAL250004653157	1	42	-1.0	-46.16	322.85	4.73	-41.43
C#CC(CNC(=O)CCCC1=N[N-]N=N1)CC(C)(C)C	REAL250004653158	0	42	-1.0	-46.11	337.12	4.65	-41.46
C#CC(CNC(=O)CCCC1=NN=N[N-]1)CC(C)(C)C	REAL250004653158	1	42	-1.0	-46.12	337.18	4.67	-41.45
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C(F)F)=C1	REAL250004653160	0	29	-1.0	-51.34	267.15	1.58	-49.76
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C(F)F)=C1	REAL250004653160	1	29	-1.0	-51.36	267.21	1.59	-49.77
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC2F)C1	REAL250004653161	0	33	-1.0	-50.16	285.21	3.37	-46.79
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC2F)C1	REAL250004653161	1	33	-1.0	-50.16	285.27	3.38	-46.78
O=C(NC1CC2(CC2F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653162	0	33	-1.0	-37.24	295.78	3.15	-34.09
O=C(NC1CC2(CC2F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653162	1	33	-1.0	-37.26	295.85	3.16	-34.10
C[C@@H](O)C1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653163	0	35	-1.0	-47.88	307.98	-2.41	-50.29
C[C@@H](O)C1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653163	1	35	-1.0	-47.88	308.04	-2.40	-50.28
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004653164	0	37	-1.0	-55.67	314.26	-0.55	-56.22
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004653164	1	37	-1.0	-55.67	314.32	-0.54	-56.21
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004653165	0	37	-1.0	-57.97	312.39	-0.49	-58.46
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004653165	1	37	-1.0	-57.92	312.45	-0.48	-58.40
COC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004653166	0	37	-1.0	-46.51	303.08	4.60	-41.91
COC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004653166	1	37	-1.0	-46.55	303.14	4.62	-41.93
COC(=O)C[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653167	0	38	-1.0	-49.52	317.40	4.19	-45.33
COC(=O)C[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653167	1	38	-1.0	-49.52	317.46	4.21	-45.31
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004653168	0	39	-1.0	-49.24	333.43	5.26	-43.98
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004653168	1	39	-1.0	-49.24	333.49	5.27	-43.97
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CC1CCC2C1	REAL250004653169	0	43	-1.0	-46.92	331.87	5.24	-41.68
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CC1CCC2C1	REAL250004653169	1	43	-1.0	-46.91	331.93	5.25	-41.66
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOC2	REAL250004653170	0	37	-1.0	-51.91	291.39	2.73	-49.18
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOC2	REAL250004653170	1	37	-1.0	-51.93	291.45	2.75	-49.18
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004653171	0	38	-1.0	-52.87	314.17	-0.20	-53.07
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004653171	1	38	-1.0	-52.90	314.22	-0.19	-53.09
CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004653172	0	23	-1.0	-40.32	232.12	2.39	-37.93
CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004653172	1	23	-1.0	-40.28	232.18	2.39	-37.89
CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004653173	0	26	-1.0	-48.73	252.44	3.21	-45.52
CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004653173	1	26	-1.0	-48.65	252.50	3.20	-45.45
O=C(CO)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004653174	0	24	-1.0	-43.99	242.90	0.21	-43.78
O=C(CO)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004653174	1	24	-1.0	-43.99	242.96	0.20	-43.79
CC1CC(O)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653175	0	36	-1.0	-59.48	292.50	2.65	-56.83
CC1CC(O)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653175	1	36	-1.0	-58.68	292.86	2.63	-56.05
CC1CC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653176	0	33	-1.0	-37.25	277.50	0.30	-36.95
CC1CC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653176	1	33	-1.0	-37.26	277.57	0.31	-36.95
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C=CCO2)CC1	REAL250004653177	0	41	-1.0	-50.15	313.41	5.27	-44.88
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C=CCO2)CC1	REAL250004653177	1	41	-1.0	-50.19	313.46	5.29	-44.90
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCO2)CC1	REAL250004653178	0	43	-1.0	-45.93	319.31	4.97	-40.96
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCO2)CC1	REAL250004653178	1	43	-1.0	-45.93	319.37	4.98	-40.95
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2)C2=CC=CC=C21	REAL250004653179	0	40	-1.0	-49.12	317.31	7.21	-41.91
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2)C2=CC=CC=C21	REAL250004653179	1	40	-1.0	-49.13	317.37	7.22	-41.91
CC(C)C1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653180	0	42	-1.0	-49.42	319.53	3.94	-45.48
CC(C)C1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653180	1	42	-1.0	-49.43	319.59	3.95	-45.48
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](O)[C@@H]2COC[C@@H]21	REAL250004653181	0	35	-1.0	-50.70	283.84	-1.21	-51.91
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@@H]2COC[C@@H]21	REAL250004653181	1	35	-1.0	-50.74	283.90	-1.19	-51.93
O=C(CCCC1=N[N-]N=N1)N1CC(COC(F)F)C1	REAL250004653182	0	33	-1.0	-49.28	293.08	2.10	-47.18
O=C(CCCC1=NN=N[N-]1)N1CC(COC(F)F)C1	REAL250004653182	1	33	-1.0	-49.28	293.13	2.12	-47.16
CC1(C)CCC2(CCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653183	0	45	-1.0	-48.08	332.86	5.78	-42.30
CC1(C)CCC2(CCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653183	1	45	-1.0	-48.07	332.91	5.80	-42.27
O=C(CCCC1=NN=N[N-]1)N1CC(OC2=NC=CC=N2)C1	REAL250004653184	0	35	-1.0	-51.66	307.99	0.18	-51.48
O=C(CCCC1=N[N-]N=N1)N1CC(OC2=NC=CC=N2)C1	REAL250004653184	1	35	-1.0	-51.63	307.94	0.17	-51.46
COC(=O)C1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653185	0	39	-1.0	-51.83	318.32	2.80	-49.03
COC(=O)C1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653185	1	39	-1.0	-51.82	318.38	2.82	-49.00
CC1(C)OC2(CO)CC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653186	0	41	-1.0	-48.42	327.22	-1.19	-49.61
CC1(C)OC2(CO)CC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653186	1	41	-1.0	-48.45	327.28	-1.17	-49.62
COCC(C)(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004653187	0	39	-1.0	-47.21	311.18	-1.86	-49.07
COCC(C)(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004653187	1	39	-1.0	-47.23	311.24	-1.85	-49.08
COCCC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653188	0	36	-1.0	-49.08	304.23	1.78	-47.30
COCCC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653188	1	36	-1.0	-49.11	304.29	1.79	-47.32
COCCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004653189	0	36	-1.0	-37.02	314.85	1.58	-35.44
COCCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004653189	1	36	-1.0	-37.00	314.92	1.58	-35.42
COC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653190	0	39	-1.0	-51.09	323.10	4.11	-46.98
COC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653190	1	39	-1.0	-51.14	323.16	4.12	-47.02
O=C(CCCC1=N[N-]N=N1)NC12COC(C=CC1)C2	REAL250004653191	0	35	-1.0	-48.26	282.62	1.50	-46.76
O=C(CCCC1=NN=N[N-]1)NC12COC(C=CC1)C2	REAL250004653191	1	35	-1.0	-48.27	282.68	1.52	-46.75
O=C(NC12COC(C=CC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653192	0	35	-1.0	-35.91	293.16	1.28	-34.63
O=C(NC12COC(C=CC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653192	1	35	-1.0	-35.93	293.23	1.28	-34.65
CCOC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004653193	0	41	-1.0	-46.13	337.97	4.43	-41.70
CCOC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004653193	1	41	-1.0	-46.14	338.03	4.44	-41.70
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCCC2C1	REAL250004653194	0	37	-1.0	-48.72	298.95	2.69	-46.03
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCCC2C1	REAL250004653194	1	37	-1.0	-48.70	299.01	2.71	-45.99
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC(C1CC1)=NO2	REAL250004653195	0	38	-1.0	-48.33	324.28	3.83	-44.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC(C1CC1)=NO2	REAL250004653195	1	38	-1.0	-48.35	324.34	3.84	-44.51
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(F)(F)C1	REAL250004653196	0	35	-1.0	-48.82	289.83	4.52	-44.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(F)(F)C1	REAL250004653196	1	35	-1.0	-48.84	289.89	4.54	-44.30
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2COC[C@H]21	REAL250004653197	0	38	-1.0	-47.82	302.87	1.05	-46.77
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2COC[C@H]21	REAL250004653197	1	38	-1.0	-47.81	302.93	1.07	-46.74
C=C1CC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653198	0	36	-1.0	-53.40	294.22	6.57	-46.83
C=C1CC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653198	1	36	-1.0	-53.19	294.31	6.59	-46.60
C=C1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653199	0	33	-1.0	-35.42	280.31	4.44	-30.98
C=C1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653199	1	33	-1.0	-35.37	280.38	4.44	-30.93
CCO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653200	0	36	-1.0	-49.35	297.48	2.82	-46.53
CCO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653200	1	36	-1.0	-49.32	297.54	2.84	-46.48
CCO[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653201	0	36	-1.0	-36.64	304.74	3.07	-33.57
CCO[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653201	1	36	-1.0	-36.63	304.80	3.08	-33.55
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004653202	0	32	-1.0	-46.41	274.53	3.59	-42.82
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004653202	1	32	-1.0	-46.44	274.59	3.60	-42.84
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL250004653203	0	32	-1.0	-35.30	282.25	3.76	-31.54
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL250004653203	1	32	-1.0	-35.29	282.31	3.77	-31.52
O=C(CCCC1=N[N-]N=N1)N1[C@@H]2CC[C@H]1[C@H](CO)C2	REAL250004653204	0	37	-1.0	-48.46	298.97	1.53	-46.93
O=C(CCCC1=NN=N[N-]1)N1[C@@H]2CC[C@H]1[C@H](CO)C2	REAL250004653204	1	37	-1.0	-48.48	299.03	1.54	-46.94
CC1=NC(Cl)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653205	0	34	-1.0	-46.51	308.17	2.88	-43.63
CC1=NC(Cl)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653205	1	34	-1.0	-46.56	308.23	2.89	-43.67
COC(=O)C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653207	0	34	-1.0	-49.96	297.95	4.30	-45.66
COC(=O)C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653207	1	34	-1.0	-49.76	298.02	4.32	-45.44
COC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653208	0	31	-1.0	-37.21	283.80	1.20	-36.01
COC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653208	1	31	-1.0	-37.19	283.86	1.22	-35.97
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(C#N)C=N1	REAL250004653209	0	32	-1.0	-50.72	291.88	4.22	-46.50
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(C#N)C=N1	REAL250004653209	1	32	-1.0	-50.73	291.82	4.20	-46.53
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004653210	0	42	-1.0	-48.59	333.80	6.91	-41.68
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004653210	1	42	-1.0	-48.63	333.86	6.93	-41.70
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C1=CC=CC=C1	REAL250004653211	0	42	-1.0	-48.73	335.59	6.63	-42.10
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C1=CC=CC=C1	REAL250004653211	1	42	-1.0	-48.77	335.65	6.64	-42.13
CN1C=CN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653212	0	32	-1.0	-64.17	280.16	7.40	-56.77
CN1C=CN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653212	1	32	-1.0	-64.01	280.23	7.42	-56.59
CN1C=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653213	0	29	-1.0	-42.00	266.07	4.31	-37.69
CN1C=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653213	1	29	-1.0	-41.96	266.00	4.31	-37.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1CCCC2	REAL250004653214	0	42	-1.0	-46.05	337.58	5.78	-40.27
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1CCCC2	REAL250004653214	1	42	-1.0	-46.07	337.64	5.80	-40.27
O=C(CCCC1=N[N-]N=N1)NCC12COC(C=CC1)C2	REAL250004653215	0	38	-1.0	-46.89	305.30	2.28	-44.61
O=C(CCCC1=NN=N[N-]1)NCC12COC(C=CC1)C2	REAL250004653215	1	38	-1.0	-46.92	305.36	2.29	-44.63
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC1(F)F	REAL250004653216	0	33	-1.0	-51.59	296.34	3.98	-47.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC1(F)F	REAL250004653216	1	33	-1.0	-51.57	296.28	3.97	-47.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OCCO	REAL250004653217	0	37	-1.0	-50.63	314.24	0.60	-50.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OCCO	REAL250004653217	1	37	-1.0	-50.63	314.30	0.61	-50.02
O=C(CCCC1=N[N-]N=N1)NCC12CCCCC1C2(F)F	REAL250004653218	0	39	-1.0	-47.48	314.73	4.47	-43.01
O=C(CCCC1=NN=N[N-]1)NCC12CCCCC1C2(F)F	REAL250004653218	1	39	-1.0	-47.48	314.79	4.49	-42.99
CSCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653219	0	42	-1.0	-46.13	330.89	5.53	-40.60
CSCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653219	1	42	-1.0	-46.15	330.94	5.55	-40.60
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCCCC1	REAL250004653220	0	42	-1.0	-46.14	314.64	5.42	-40.72
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCCCC1	REAL250004653220	1	42	-1.0	-46.15	314.69	5.44	-40.71
COC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004653221	0	39	-1.0	-47.62	327.10	3.90	-43.72
COC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004653221	1	39	-1.0	-47.63	327.15	3.91	-43.72
CC(C)(O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653222	0	39	-1.0	-49.96	326.32	-1.04	-51.00
CC(C)(O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653222	1	39	-1.0	-49.95	326.38	-1.03	-50.98
CC1=NN(C(C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653223	0	38	-1.0	-48.29	316.20	3.11	-45.18
CC1=NN(C(C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653223	1	38	-1.0	-48.30	316.26	3.12	-45.18
O=C(CCCC1=N[N-]N=N1)N1CCCC(=O)CC1	REAL250004653224	0	34	-1.0	-55.56	274.84	3.70	-51.86
O=C(CCCC1=NN=N[N-]1)N1CCCC(=O)CC1	REAL250004653224	1	34	-1.0	-55.63	274.90	3.71	-51.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(=O)CC1	REAL250004653225	0	34	-1.0	-35.90	281.36	4.53	-31.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(=O)CC1	REAL250004653225	1	34	-1.0	-35.90	281.43	4.53	-31.37
COC(=O)[C@H](C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004653226	0	32	-1.0	-57.42	287.87	2.79	-54.63
COC(=O)[C@H](C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004653226	1	32	-1.0	-57.49	287.92	2.81	-54.68
COC(=O)[C@H](C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653227	0	32	-1.0	-41.09	298.46	2.58	-38.51
COC(=O)[C@H](C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653227	1	32	-1.0	-41.10	298.53	2.60	-38.50
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C=CCO2)C1	REAL250004653228	0	35	-1.0	-59.54	296.24	4.37	-55.17
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(C=CCO2)C1	REAL250004653228	1	35	-1.0	-59.35	296.30	4.38	-54.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C=CCO2)C1	REAL250004653229	0	32	-1.0	-40.22	283.70	1.93	-38.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C=CCO2)C1	REAL250004653229	1	32	-1.0	-40.17	283.77	1.95	-38.22
O=C(CCCC1=N[N-]N=N1)NC1CC(CC2=CC=CC=C2)C1	REAL250004653230	0	42	-1.0	-47.87	348.11	6.34	-41.53
O=C(CCCC1=NN=N[N-]1)NC1CC(CC2=CC=CC=C2)C1	REAL250004653230	1	42	-1.0	-47.87	348.16	6.35	-41.52
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC(F)(F)C1	REAL250004653231	0	38	-1.0	-46.09	300.22	5.26	-40.83
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC(F)(F)C1	REAL250004653231	1	38	-1.0	-46.12	300.27	5.27	-40.85
O=C(CCCC1=N[N-]N=N1)NC1CC(CC(F)(F)F)C1	REAL250004653232	0	35	-1.0	-48.83	305.68	3.68	-45.15
O=C(CCCC1=NN=N[N-]1)NC1CC(CC(F)(F)F)C1	REAL250004653232	1	35	-1.0	-48.82	305.74	3.69	-45.13
CN1N=C(C(F)F)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653233	0	35	-1.0	-47.93	314.32	1.89	-46.04
CN1N=C(C(F)F)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653233	1	35	-1.0	-47.96	314.38	1.91	-46.05
COCC(O)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653234	0	37	-1.0	-48.53	311.06	-4.91	-53.44
COCC(O)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653234	1	37	-1.0	-48.58	311.12	-4.90	-53.48
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004653235	0	40	-1.0	-46.36	320.72	2.36	-44.00
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004653235	1	40	-1.0	-46.41	320.78	2.37	-44.04
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCCC[C@@]2(CO)C1	REAL250004653236	0	43	-1.0	-49.14	328.65	2.66	-46.48
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCCC[C@@]2(CO)C1	REAL250004653236	1	43	-1.0	-49.20	328.70	2.68	-46.52
O=C(CCCC1=N[N-]N=N1)NC1CNC(=O)CC12CCC2	REAL250004653237	0	40	-1.0	-47.59	321.36	0.98	-46.61
O=C(CCCC1=NN=N[N-]1)NC1CNC(=O)CC12CCC2	REAL250004653237	1	40	-1.0	-47.60	321.42	0.99	-46.61
COC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653238	0	41	-1.0	-50.34	329.04	4.86	-45.48
COC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653238	1	41	-1.0	-50.39	329.09	4.87	-45.52
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CC1)OC2	REAL250004653239	0	43	-1.0	-46.45	332.66	3.11	-43.34
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CC1)OC2	REAL250004653239	1	43	-1.0	-46.46	332.72	3.12	-43.34
COC(=O)C[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653240	0	41	-1.0	-50.33	329.02	4.87	-45.46
COC(=O)C[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653240	1	41	-1.0	-50.37	329.08	4.88	-45.49
COC(=O)C[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653241	0	41	-1.0	-50.32	329.05	4.87	-45.45
COC(=O)C[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653241	1	41	-1.0	-50.35	329.11	4.89	-45.46
CNS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653242	0	35	-1.0	-54.37	313.51	-4.79	-59.16
CNS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653242	1	35	-1.0	-54.40	313.57	-4.78	-59.18
CC1=NOC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004653243	0	38	-1.0	-53.58	319.80	4.61	-48.97
CC1=NOC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004653243	1	38	-1.0	-53.60	319.85	4.63	-48.97
O=C(CCCC1=N[N-]N=N1)N1CCC12CCCCC2	REAL250004653244	0	39	-1.0	-47.92	299.57	4.89	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCC12CCCCC2	REAL250004653244	1	39	-1.0	-47.96	299.63	4.91	-43.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCCCC2	REAL250004653245	0	39	-1.0	-37.12	308.25	4.87	-32.25
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCCCC2	REAL250004653245	1	39	-1.0	-37.09	308.32	4.88	-32.21
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H]1O	REAL250004653247	0	36	-1.0	-39.86	294.71	2.51	-37.35
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@H]1O	REAL250004653247	1	36	-1.0	-38.56	295.48	2.46	-36.10
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004653248	0	33	-1.0	-37.08	282.17	0.27	-36.81
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004653248	1	33	-1.0	-37.01	282.24	0.27	-36.74
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCOC2	REAL250004653249	0	37	-1.0	-49.30	303.66	3.62	-45.68
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCOC2	REAL250004653249	1	37	-1.0	-49.33	303.72	3.64	-45.69
COC(=O)[C@@H]1CC12CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653250	0	39	-1.0	-48.70	331.98	3.93	-44.77
COC(=O)[C@@H]1CC12CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653250	1	39	-1.0	-48.72	332.03	3.95	-44.77
O=C(CCCC1=N[N-]N=N1)NCC1CC12CCC(O)CC2	REAL250004653251	0	43	-1.0	-48.59	341.58	1.60	-46.99
O=C(CCCC1=NN=N[N-]1)NCC1CC12CCC(O)CC2	REAL250004653251	1	43	-1.0	-48.63	341.64	1.61	-47.02
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004653252	0	41	-1.0	-45.94	321.08	2.01	-43.93
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004653252	1	41	-1.0	-45.96	321.14	2.02	-43.94
CCC1=CNN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653253	0	35	-1.0	-49.13	301.13	1.23	-47.90
CCC1=CNN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653253	1	35	-1.0	-49.14	301.19	1.25	-47.89
CCC1=CNN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653254	0	35	-1.0	-38.54	311.73	1.02	-37.52
CCC1=CNN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653254	1	35	-1.0	-38.53	311.79	1.03	-37.50
CNC(=O)C1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653255	0	36	-1.0	-48.12	312.09	-0.39	-48.51
CNC(=O)C1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653255	1	36	-1.0	-48.09	312.04	-0.40	-48.49
CCN1C=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653256	0	35	-1.0	-48.01	299.66	3.68	-44.33
CCN1C=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653256	1	35	-1.0	-48.00	299.72	3.70	-44.30
CCN1C=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653257	0	35	-1.0	-38.35	310.26	3.48	-34.87
CCN1C=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653257	1	35	-1.0	-38.32	310.33	3.48	-34.84
O=C(CCCC1=N[N-]N=N1)N1CCCCC12CCCC2	REAL250004653258	0	42	-1.0	-45.45	309.24	5.59	-39.86
O=C(CCCC1=NN=N[N-]1)N1CCCCC12CCCC2	REAL250004653258	1	42	-1.0	-45.44	309.29	5.61	-39.83
CC1CC(CO)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653259	0	36	-1.0	-48.68	292.37	0.82	-47.86
CC1CC(CO)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653259	1	36	-1.0	-48.70	292.42	0.83	-47.87
CC1CC(CO)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653260	0	36	-1.0	-39.42	299.61	1.09	-38.33
CC1CC(CO)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653260	1	36	-1.0	-39.42	299.68	1.09	-38.33
C[C@H]1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653261	0	35	-1.0	-52.22	290.11	0.37	-51.85
C[C@H]1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653261	1	35	-1.0	-52.20	290.16	0.38	-51.82
CC1OC2(C)CC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653262	0	37	-1.0	-50.10	302.73	1.49	-48.61
CC1OC2(C)CC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653262	1	37	-1.0	-50.06	302.78	1.50	-48.56
C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653263	0	35	-1.0	-52.03	290.14	0.37	-51.66
C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653263	1	35	-1.0	-52.06	290.19	0.38	-51.68
CC(C)C1=CNN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653264	0	38	-1.0	-48.84	319.97	1.75	-47.09
CC(C)C1=CNN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653264	1	38	-1.0	-48.80	320.02	1.76	-47.04
C#CCOC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653265	0	30	-1.0	-46.41	280.15	2.05	-44.36
C#CCOC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653265	1	30	-1.0	-46.44	280.21	2.06	-44.38
C#CCOC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653266	0	30	-1.0	-38.06	290.74	1.83	-36.23
C#CCOC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653266	1	30	-1.0	-38.06	290.81	1.84	-36.22
CC(C1CCCO1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004653267	0	39	-1.0	-45.48	302.91	4.05	-41.43
CC(C1CCCO1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004653267	1	39	-1.0	-45.44	302.97	4.06	-41.38
COCC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653268	0	39	-1.0	-58.09	334.49	-0.24	-58.33
COCC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653268	1	39	-1.0	-58.08	334.55	-0.22	-58.30
CC1CC(C)N(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004653269	0	41	-1.0	-45.49	308.23	5.40	-40.09
CC1CC(C)N(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004653269	1	41	-1.0	-45.46	308.29	5.41	-40.05
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CN=C1Cl	REAL250004653270	0	34	-1.0	-46.96	309.64	2.72	-44.24
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CN=C1Cl	REAL250004653270	1	34	-1.0	-46.94	309.59	2.71	-44.23
C[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653271	0	38	-1.0	-46.37	296.35	4.41	-41.96
C[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653271	1	38	-1.0	-46.32	296.41	4.42	-41.90
C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653272	0	38	-1.0	-35.26	306.93	4.22	-31.04
C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653272	1	38	-1.0	-35.21	306.99	4.23	-30.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1NC(=O)C=C2	REAL250004653273	0	35	-1.0	-51.29	301.11	2.68	-48.61
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1NC(=O)C=C2	REAL250004653273	1	35	-1.0	-51.32	301.17	2.70	-48.62
O=C(CCCC1=N[N-]N=N1)NC1=CN2C=NC=C2C=C1	REAL250004653274	0	32	-1.0	-50.56	282.47	4.78	-45.78
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=NC=C2C=C1	REAL250004653274	1	32	-1.0	-50.55	282.52	4.79	-45.76
C[C@@H](CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004653275	0	34	-1.0	-46.52	293.92	3.00	-43.52
C[C@@H](CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004653275	1	34	-1.0	-46.58	293.98	3.02	-43.56
COCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653276	0	36	-1.0	-53.05	312.99	-1.02	-54.07
COCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653276	1	36	-1.0	-53.02	313.05	-1.00	-54.02
N#CC1(NC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653277	0	34	-1.0	-53.90	306.38	-0.12	-54.02
N#CC1(NC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653277	1	34	-1.0	-53.90	306.43	-0.11	-54.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN=C1OC(F)F	REAL250004653278	0	32	-1.0	-49.35	290.59	0.92	-48.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=CN=C1OC(F)F	REAL250004653278	1	32	-1.0	-49.39	290.53	0.90	-48.49
O=C(NC1C=CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653279	0	39	-1.0	-53.24	305.19	7.55	-45.69
O=C(NC1C=CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653279	1	39	-1.0	-52.97	305.27	7.56	-45.41
O=C(NC1C=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653280	0	36	-1.0	-35.04	290.73	4.47	-30.57
O=C(NC1C=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653280	1	36	-1.0	-35.03	290.79	4.48	-30.55
COC1=CC=C(F)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653281	0	36	-1.0	-47.96	313.92	2.89	-45.07
COC1=CC=C(F)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653281	1	36	-1.0	-48.00	313.97	2.90	-45.10
C[C@@H]1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653282	0	35	-1.0	-54.65	281.98	5.97	-48.68
C[C@@H]1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653282	1	35	-1.0	-55.35	281.89	6.01	-49.34
C[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653283	0	32	-1.0	-36.45	267.94	3.81	-32.64
C[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653283	1	32	-1.0	-36.44	268.01	3.82	-32.62
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1F	REAL250004653284	0	36	-1.0	-48.31	292.69	2.59	-45.72
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1F	REAL250004653284	1	36	-1.0	-48.31	292.75	2.61	-45.70
C[C@@]12CSC[C@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004653285	0	40	-1.0	-48.48	317.99	5.00	-43.48
C[C@@]12CSC[C@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004653285	1	40	-1.0	-48.50	318.04	5.02	-43.48
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653286	0	44	-1.0	-45.80	332.94	5.01	-40.79
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653286	1	44	-1.0	-45.81	333.00	5.03	-40.78
COC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004653287	0	42	-1.0	-46.33	335.83	2.62	-43.71
COC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004653287	1	42	-1.0	-46.33	335.89	2.64	-43.69
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653288	0	47	-1.0	-45.67	342.09	5.18	-40.49
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653288	1	47	-1.0	-45.68	342.15	5.19	-40.49
CC1=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CO1	REAL250004653289	0	35	-1.0	-52.51	306.06	5.18	-47.33
CC1=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CO1	REAL250004653289	1	35	-1.0	-52.37	306.16	5.18	-47.19
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004653290	0	32	-1.0	-36.64	292.33	2.06	-34.58
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004653290	1	32	-1.0	-36.66	292.39	2.06	-34.60
CC(C)CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004653291	0	41	-1.0	-48.12	340.34	3.74	-44.38
CC(C)CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004653291	1	41	-1.0	-48.10	340.29	3.72	-44.38
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653292	1	44	-1.0	-46.94	334.06	-0.25	-47.19
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653292	1	44	-1.0	-46.97	334.12	-0.24	-47.21
O=C(CCCC1=N[N-]N=N1)N1CC(COC(F)(F)F)C1	REAL250004653293	0	33	-1.0	-48.03	299.82	2.33	-45.70
O=C(CCCC1=NN=N[N-]1)N1CC(COC(F)(F)F)C1	REAL250004653293	1	33	-1.0	-48.01	299.87	2.34	-45.67
O=C(CCCC1=N[N-]N=N1)NC1(CO)CC(F)(F)C1	REAL250004653294	0	33	-1.0	-46.89	284.66	-0.85	-47.74
O=C(CCCC1=NN=N[N-]1)NC1(CO)CC(F)(F)C1	REAL250004653294	1	33	-1.0	-46.92	284.72	-0.84	-47.76
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CC2)C1	REAL250004653295	0	37	-1.0	-47.19	299.57	1.55	-45.64
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CC2)C1	REAL250004653295	1	37	-1.0	-47.22	299.63	1.56	-45.66
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2CCOC2)C1	REAL250004653296	0	41	-1.0	-47.83	320.95	2.12	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2CCOC2)C1	REAL250004653296	1	41	-1.0	-47.85	321.01	2.14	-45.71
CC1(C)C[C@@H](CO)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653297	0	39	-1.0	-49.68	309.21	2.91	-46.77
CC1(C)C[C@@H](CO)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653297	1	39	-1.0	-49.70	309.27	2.93	-46.77
CC(O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653298	0	36	-1.0	-50.93	287.60	1.19	-49.74
CC(O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653298	1	36	-1.0	-50.98	287.66	1.21	-49.77
CC(O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653299	0	36	-1.0	-39.74	295.08	1.42	-38.32
CC(O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653299	1	36	-1.0	-39.75	295.15	1.42	-38.33
CC12COC(CNC(=O)CCCC3=N[N-]N=N3)(C1)CCC2	REAL250004653300	0	43	-1.0	-46.21	331.23	3.01	-43.20
CC12COC(CNC(=O)CCCC3=NN=N[N-]3)(C1)CCC2	REAL250004653300	1	43	-1.0	-46.24	331.29	3.03	-43.21
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCCCCC1	REAL250004653301	0	45	-1.0	-46.05	320.70	6.36	-39.69
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCCCCC1	REAL250004653301	1	45	-1.0	-46.08	320.76	6.37	-39.71
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653302	0	44	-1.0	-46.57	335.17	4.81	-41.76
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653302	1	44	-1.0	-46.57	335.23	4.82	-41.75
C=C1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653303	0	33	-1.0	-53.23	283.92	5.33	-47.90
C=C1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653303	1	33	-1.0	-53.01	284.39	5.32	-47.69
C=C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653304	0	30	-1.0	-35.13	270.20	2.21	-32.92
C=C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653304	1	30	-1.0	-35.08	270.27	2.22	-32.86
COC1(CO)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653305	0	34	-1.0	-47.38	289.31	-1.25	-48.63
COC1(CO)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653305	1	34	-1.0	-47.36	289.37	-1.23	-48.59
COC1(CO)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653306	0	34	-1.0	-38.52	297.29	-1.31	-39.83
COC1(CO)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653306	1	34	-1.0	-38.50	297.36	-1.30	-39.80
O=C(CCCC1=N[N-]N=N1)NCC1CC(CO)CO1	REAL250004653307	0	37	-1.0	-48.08	307.74	-1.90	-49.98
O=C(CCCC1=NN=N[N-]1)NCC1CC(CO)CO1	REAL250004653307	1	37	-1.0	-48.11	307.80	-1.89	-50.00
O=C(CCCC1=N[N-]N=N1)N1CCNS(=O)(=O)CC1	REAL250004653308	0	34	-1.0	-60.90	280.46	-0.97	-61.87
O=C(CCCC1=NN=N[N-]1)N1CCNS(=O)(=O)CC1	REAL250004653308	1	34	-1.0	-60.92	280.52	-0.95	-61.87
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CC1)C2(F)F	REAL250004653309	0	36	-1.0	-49.08	292.33	5.05	-44.03
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CC1)C2(F)F	REAL250004653309	1	36	-1.0	-49.11	292.39	5.06	-44.05
CC(C)(F)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004653310	0	37	-1.0	-45.39	287.31	2.96	-42.43
CC(C)(F)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004653310	1	37	-1.0	-45.44	287.37	2.97	-42.47
CC(C)(F)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653311	0	37	-1.0	-36.37	297.90	2.74	-33.63
CC(C)(F)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653311	1	37	-1.0	-36.41	297.96	2.76	-33.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NN1CC(F)F	REAL250004653312	0	35	-1.0	-47.86	313.70	2.22	-45.64
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NN1CC(F)F	REAL250004653312	1	35	-1.0	-47.82	313.76	2.23	-45.59
CC12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL250004653313	0	41	-1.0	-46.01	326.04	2.82	-43.19
CC12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL250004653313	1	41	-1.0	-46.02	326.09	2.84	-43.18
CC1=NN2C=CC=C(NC(=O)CCCC3=N[N-]N=N3)C2=N1	REAL250004653314	0	34	-1.0	-60.23	299.72	3.53	-56.70
CC1=NN2C=CC=C(NC(=O)CCCC3=NN=N[N-]3)C2=N1	REAL250004653314	1	34	-1.0	-60.22	299.78	3.55	-56.67
CC(C)CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004653315	0	47	-1.0	-46.45	353.41	6.29	-40.16
CC(C)CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004653315	1	47	-1.0	-46.45	353.47	6.30	-40.15
CC(C)(O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004653316	0	39	-1.0	-45.72	309.89	1.23	-44.49
CC(C)(O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004653316	1	39	-1.0	-45.70	309.95	1.25	-44.45
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCOC2	REAL250004653317	0	37	-1.0	-48.95	301.90	1.75	-47.20
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCOC2	REAL250004653317	1	37	-1.0	-48.96	301.96	1.77	-47.19
CCCC(C(=O)OC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004653318	0	40	-1.0	-47.46	328.77	5.13	-42.33
CCCC(C(=O)OC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004653318	1	40	-1.0	-47.42	328.82	5.14	-42.28
CCCCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653319	0	40	-1.0	-53.37	328.17	6.68	-46.69
CCCCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653319	1	40	-1.0	-53.19	328.24	6.70	-46.49
CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653320	0	37	-1.0	-35.42	314.02	3.59	-31.83
CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653320	1	37	-1.0	-35.39	314.08	3.60	-31.79
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004653321	0	37	-1.0	-47.76	313.26	3.15	-44.61
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004653321	1	37	-1.0	-47.77	313.31	3.17	-44.60
CN(C(=O)CCCC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004653322	0	39	-1.0	-52.72	330.23	6.80	-45.92
CN(C(=O)CCCC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004653322	1	39	-1.0	-52.74	330.28	6.81	-45.93
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C2CCC2)=N1	REAL250004653323	0	39	-1.0	-47.96	323.39	3.80	-44.16
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C2CCC2)=N1	REAL250004653323	1	39	-1.0	-48.01	323.45	3.82	-44.19
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004653325	0	41	-1.0	-46.24	322.88	2.40	-43.84
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004653325	1	41	-1.0	-46.25	322.93	2.42	-43.83
O=C(NCC1=CN=CN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653326	0	33	-1.0	-51.36	293.06	4.40	-46.96
O=C(NCC1=CN=CN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653326	1	33	-1.0	-51.22	293.54	4.39	-46.83
O=C(NCC1=CN=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653327	0	30	-1.0	-37.23	279.31	1.27	-35.96
O=C(NCC1=CN=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653327	1	30	-1.0	-37.16	279.37	1.28	-35.88
CC(O)[C@]1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653328	0	39	-1.0	-50.60	302.36	2.25	-48.35
CC(O)[C@]1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653328	1	39	-1.0	-50.63	302.42	2.27	-48.36
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004653329	0	33	-1.0	-49.94	283.80	2.14	-47.80
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004653329	1	33	-1.0	-49.94	283.85	2.15	-47.79
CC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=N1	REAL250004653330	0	33	-1.0	-36.23	293.45	1.89	-34.34
CC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=N1	REAL250004653330	1	33	-1.0	-36.20	293.52	1.91	-34.29
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2CCC2)=C1	REAL250004653331	0	38	-1.0	-52.36	310.87	2.45	-49.91
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2CCC2)=C1	REAL250004653331	1	38	-1.0	-52.34	310.92	2.46	-49.88
CCC(C)(O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653332	0	38	-1.0	-51.34	310.62	2.31	-49.03
CCC(C)(O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653332	1	38	-1.0	-51.15	310.69	2.32	-48.83
CCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653333	0	35	-1.0	-36.15	296.47	-0.78	-36.93
CCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653333	1	35	-1.0	-36.12	296.53	-0.77	-36.89
CC1C2=CC=CN=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653334	0	38	-1.0	-48.19	301.84	4.45	-43.74
CC1C2=CC=CN=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653334	1	38	-1.0	-48.23	301.90	4.46	-43.77
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC=C2CC1	REAL250004653336	0	39	-1.0	-47.84	308.93	6.55	-41.29
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC=C2CC1	REAL250004653336	1	39	-1.0	-47.84	308.98	6.56	-41.28
CC1CCC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004653337	0	45	-1.0	-46.82	326.48	6.26	-40.56
CC1CCC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004653337	1	45	-1.0	-46.82	326.54	6.28	-40.54
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCCC1	REAL250004653338	0	44	-1.0	-47.48	320.84	6.15	-41.33
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCCC1	REAL250004653338	1	44	-1.0	-47.53	320.90	6.16	-41.37
CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004653339	0	41	-1.0	-51.26	350.24	2.56	-48.70
CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004653339	1	41	-1.0	-51.31	350.30	2.57	-48.74
CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004653340	0	36	-1.0	-54.31	307.22	5.11	-49.20
CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004653340	1	36	-1.0	-54.31	307.27	5.13	-49.18
CC1CCC2CCCCC2N1C(=O)CCCC1=N[N-]N=N1	REAL250004653341	0	45	-1.0	-45.67	322.74	6.10	-39.57
CC1CCC2CCCCC2N1C(=O)CCCC1=NN=N[N-]1	REAL250004653341	1	45	-1.0	-45.63	322.79	6.12	-39.51
CC12CC(NC(=O)CCCC3=N[N-]N=N3)(CO1)CCC2	REAL250004653342	0	40	-1.0	-48.65	308.09	2.18	-46.47
CC12CC(NC(=O)CCCC3=NN=N[N-]3)(CO1)CCC2	REAL250004653342	1	40	-1.0	-48.66	308.15	2.19	-46.47
C[C@]12CC[C@H]1CCN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653343	0	39	-1.0	-55.12	304.90	6.96	-48.16
C[C@]12CC[C@H]1CCN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653343	1	39	-1.0	-56.03	304.79	7.00	-49.03
C[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653344	0	36	-1.0	-36.69	292.53	4.88	-31.81
C[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653344	1	36	-1.0	-36.65	292.60	4.89	-31.76
C[C@@H]1CN(CCNC(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004653345	0	44	-1.0	-47.91	349.90	0.43	-47.48
C[C@@H]1CN(CCNC(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004653345	1	44	-1.0	-47.94	349.96	0.45	-47.49
CCOC(=O)C(F)(F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653346	0	34	-1.0	-46.59	308.60	2.38	-44.21
CCOC(=O)C(F)(F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653346	1	34	-1.0	-46.59	308.66	2.39	-44.20
COC(=O)C(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004653347	0	43	-1.0	-50.05	345.13	4.91	-45.14
COC(=O)C(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004653347	1	43	-1.0	-50.04	345.18	4.92	-45.12
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC(CO)C2)C1	REAL250004653348	0	40	-1.0	-48.14	327.18	1.04	-47.10
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC(CO)C2)C1	REAL250004653348	1	40	-1.0	-48.15	327.24	1.06	-47.09
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=NC=C1	REAL250004653349	0	37	-1.0	-48.73	316.96	3.26	-45.47
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=NC=C1	REAL250004653349	1	37	-1.0	-48.73	317.01	3.28	-45.45
CO[C@@H]1COCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653350	0	37	-1.0	-47.63	304.91	-0.19	-47.82
CO[C@@H]1COCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653350	1	37	-1.0	-47.68	304.97	-0.18	-47.86
C[C@H](O)C1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653351	0	35	-1.0	-47.62	307.99	-2.41	-50.03
C[C@H](O)C1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653351	1	35	-1.0	-47.59	308.05	-2.40	-49.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2CO	REAL250004653352	0	40	-1.0	-49.17	307.52	1.41	-47.76
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2CO	REAL250004653352	1	40	-1.0	-49.18	307.57	1.42	-47.76
CC1=C(C)SC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653353	0	33	-1.0	-48.60	296.83	2.40	-46.20
CC1=C(C)SC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653353	1	33	-1.0	-48.60	296.89	2.42	-46.18
O=C(CCCC1=N[N-]N=N1)NNC1=CC(=O)NC(=O)N1	REAL250004653354	0	31	-1.0	-50.58	279.03	-1.93	-52.51
O=C(CCCC1=NN=N[N-]1)NNC1=CC(=O)NC(=O)N1	REAL250004653354	1	31	-1.0	-50.55	279.09	-1.91	-52.46
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(CC2CC2)C=C1	REAL250004653355	0	42	-1.0	-45.93	353.58	6.48	-39.45
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(CC2CC2)C=C1	REAL250004653355	1	42	-1.0	-45.95	353.63	6.50	-39.45
C[C@H]1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653356	0	33	-1.0	-45.12	271.26	4.08	-41.04
C[C@H]1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653356	1	33	-1.0	-45.14	271.32	4.09	-41.05
C[C@H]1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653357	0	33	-1.0	-33.83	279.24	4.30	-29.53
C[C@H]1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653357	1	33	-1.0	-33.80	279.31	4.31	-29.49
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCCCCC1	REAL250004653358	0	45	-1.0	-46.05	320.70	6.36	-39.69
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCCCCC1	REAL250004653358	1	45	-1.0	-46.08	320.76	6.37	-39.71
CC12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C1(COC1)O2	REAL250004653359	0	39	-1.0	-46.03	317.00	0.09	-45.94
CC12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C1(COC1)O2	REAL250004653359	1	39	-1.0	-45.99	317.05	0.10	-45.89
COC1=CC(F)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653360	0	36	-1.0	-47.19	313.93	2.88	-44.31
COC1=CC(F)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653360	1	36	-1.0	-47.21	313.99	2.89	-44.32
CC1NC(=O)OC12CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004653361	0	35	-1.0	-58.79	296.67	-0.40	-59.19
CC1NC(=O)OC12CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004653361	1	35	-1.0	-58.81	296.73	-0.38	-59.19
C#C[C@H]1CCC[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653364	0	40	-1.0	-48.03	327.76	4.98	-43.05
C#C[C@H]1CCC[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653364	1	40	-1.0	-48.08	327.82	4.99	-43.09
CC(C)(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653365	0	39	-1.0	-49.03	298.94	3.80	-45.23
CC(C)(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653365	1	39	-1.0	-49.08	299.00	3.82	-45.26
C#CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653366	0	33	-1.0	-39.40	286.74	6.50	-32.90
C#CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653366	1	33	-1.0	-39.33	286.84	6.52	-32.81
C#CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653367	0	30	-1.0	-36.51	272.24	4.25	-32.26
C#CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653367	1	30	-1.0	-36.50	272.31	4.29	-32.21
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CC2(F)F)C1	REAL250004653368	0	39	-1.0	-49.50	329.52	4.63	-44.87
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CC2(F)F)C1	REAL250004653368	1	39	-1.0	-49.55	329.57	4.64	-44.91
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C1)O2	REAL250004653369	0	37	-1.0	-46.56	290.88	1.66	-44.90
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C1)O2	REAL250004653369	1	37	-1.0	-46.60	290.93	1.67	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CNC2=C1	REAL250004653370	0	35	-1.0	-59.54	303.93	1.85	-57.69
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CNC2=C1	REAL250004653370	1	35	-1.0	-59.51	303.98	1.87	-57.64
N#CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653371	0	31	-1.0	-49.10	288.18	2.56	-46.54
N#CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653371	1	31	-1.0	-49.13	288.23	2.58	-46.55
CN(C)C(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653372	0	40	-1.0	-56.08	333.64	0.46	-55.62
CN(C)C(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653372	1	40	-1.0	-56.09	333.69	0.48	-55.61
O=C(CCCC1=N[N-]N=N1)NC1CCC2C(CC1)C2(F)F	REAL250004653373	0	39	-1.0	-47.54	310.45	5.07	-42.47
O=C(CCCC1=NN=N[N-]1)NC1CCC2C(CC1)C2(F)F	REAL250004653373	1	39	-1.0	-47.53	310.51	5.08	-42.45
O=C(NC1CCC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653374	0	28	-1.0	-41.25	259.30	0.77	-40.48
O=C(NC1CCC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653374	1	28	-1.0	-41.24	259.37	0.77	-40.47
N#CC1CC(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653375	0	30	-1.0	-52.99	268.02	3.29	-49.70
N#CC1CC(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653375	1	30	-1.0	-53.01	268.08	3.30	-49.71
N#CC1CC(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653376	0	30	-1.0	-38.73	276.79	3.59	-35.14
N#CC1CC(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653376	1	30	-1.0	-38.69	276.86	3.60	-35.09
CC1=CC(C)=NC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653377	0	36	-1.0	-47.24	310.31	3.55	-43.69
CC1=CC(C)=NC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653377	1	36	-1.0	-47.21	310.36	3.56	-43.65
CN(CC1=CC=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004653378	0	35	-1.0	-48.41	290.39	3.12	-45.29
CN(CC1=CC=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004653378	1	35	-1.0	-48.43	290.44	3.13	-45.30
CN(CC1=CC=NN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653379	0	35	-1.0	-38.31	298.39	3.52	-34.79
CN(CC1=CC=NN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653379	1	35	-1.0	-38.30	298.46	3.53	-34.77
COC(=O)[C@@H](C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004653380	0	32	-1.0	-57.49	288.00	2.81	-54.68
COC(=O)[C@@H](C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004653380	1	32	-1.0	-57.47	288.06	2.82	-54.65
COC(=O)[C@@H](C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653381	0	32	-1.0	-41.13	298.59	2.61	-38.52
COC(=O)[C@@H](C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653381	1	32	-1.0	-41.11	298.66	2.61	-38.50
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CC=C1Cl	REAL250004653382	0	30	-1.0	-48.34	281.62	2.82	-45.52
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CC=C1Cl	REAL250004653382	1	30	-1.0	-48.41	281.68	2.84	-45.57
COC1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004653383	0	40	-1.0	-48.52	328.36	2.72	-45.80
COC1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004653383	1	40	-1.0	-48.56	328.42	2.74	-45.82
COC1(OC)CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653384	0	43	-1.0	-47.79	342.23	2.05	-45.74
COC1(OC)CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653384	1	43	-1.0	-47.81	342.29	2.06	-45.75
O=C(CCCC1=N[N-]N=N1)N1CC2CC1C(F)(F)C2	REAL250004653385	0	33	-1.0	-53.07	279.24	4.61	-48.46
O=C(CCCC1=NN=N[N-]1)N1CC2CC1C(F)(F)C2	REAL250004653385	1	33	-1.0	-53.07	279.30	4.63	-48.44
COC1CC2(CC(CNC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004653386	0	43	-1.0	-47.61	349.70	3.36	-44.25
COC1CC2(CC(CNC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004653386	1	43	-1.0	-47.67	349.76	3.37	-44.30
CN(CC12CCC(CC1)C2)C(=O)CCCC1=N[N-]N=N1	REAL250004653387	0	42	-1.0	-47.83	319.67	6.07	-41.76
CN(CC12CCC(CC1)C2)C(=O)CCCC1=NN=N[N-]1	REAL250004653387	1	42	-1.0	-47.83	319.73	6.09	-41.74
CNC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653388	0	36	-1.0	-58.46	298.81	2.04	-56.42
CNC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653388	1	36	-1.0	-58.49	298.86	2.05	-56.44
CC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=C1C#N	REAL250004653389	0	39	-1.0	-50.95	340.59	5.14	-45.81
CC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=C1C#N	REAL250004653389	1	39	-1.0	-50.96	340.65	5.16	-45.80
CC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004653390	0	37	-1.0	-48.95	320.27	4.35	-44.60
CC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004653390	1	37	-1.0	-48.98	320.33	4.37	-44.61
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1COC1	REAL250004653391	0	36	-1.0	-45.75	305.07	0.67	-45.08
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1COC1	REAL250004653391	1	36	-1.0	-45.76	305.13	0.68	-45.08
CC(C)(C)OCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653392	0	44	-1.0	-48.40	352.00	3.18	-45.22
CC(C)(C)OCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653392	1	44	-1.0	-48.37	352.06	3.19	-45.18
CC1=COC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004653393	0	35	-1.0	-51.84	306.11	5.19	-46.65
CC1=COC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004653393	1	35	-1.0	-51.62	306.21	5.21	-46.41
CC1=COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004653394	0	32	-1.0	-36.39	292.33	2.08	-34.31
CC1=COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004653394	1	32	-1.0	-36.37	292.40	2.08	-34.29
C#CC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653395	0	37	-1.0	-48.70	308.01	4.25	-44.45
C#CC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653395	1	37	-1.0	-48.67	308.07	4.26	-44.41
C#CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004653396	0	37	-1.0	-36.36	314.87	3.89	-32.47
C#CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004653396	1	37	-1.0	-36.38	314.93	3.91	-32.47
COC(=O)C(C1COC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004653397	0	39	-1.0	-48.23	321.68	2.47	-45.76
COC(=O)C(C1COC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004653397	1	39	-1.0	-48.30	321.74	2.49	-45.81
O=C(CCCC1=N[N-]N=N1)N1CC(=C2CC(=O)NC2=O)C1	REAL250004653398	0	34	-1.0	-56.92	306.51	0.47	-56.45
O=C(CCCC1=NN=N[N-]1)N1CC(=C2CC(=O)NC2=O)C1	REAL250004653398	1	34	-1.0	-56.90	306.56	0.49	-56.41
CCOC(=O)C(F)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004653399	0	37	-1.0	-49.94	324.47	3.04	-46.90
CCOC(=O)C(F)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004653399	1	37	-1.0	-49.96	324.53	3.05	-46.91
O=C(CCCC1=N[N-]N=N1)N1CC(C2CC(=O)NC2=O)C1	REAL250004653400	0	36	-1.0	-54.11	311.90	0.48	-53.63
O=C(CCCC1=NN=N[N-]1)N1CC(C2CC(=O)NC2=O)C1	REAL250004653400	1	36	-1.0	-54.13	311.96	0.50	-53.63
C#C[51C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004653401	0	36	-1.0	-45.55	294.89	3.61	-41.94
C#C[51C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004653401	1	36	-1.0	-45.55	294.95	3.62	-41.93
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(C(F)F)=C1	REAL250004653402	0	32	-1.0	-49.45	293.85	4.35	-45.10
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(C(F)F)=C1	REAL250004653402	1	32	-1.0	-49.47	293.90	4.37	-45.10
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC2=NC=NN21	REAL250004653403	0	30	-1.0	-61.21	271.75	5.31	-55.90
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC2=NC=NN21	REAL250004653403	1	30	-1.0	-61.21	271.69	5.30	-55.91
NC(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653404	0	32	-1.0	-50.35	280.24	-2.31	-52.66
NC(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653404	1	32	-1.0	-50.38	280.29	-2.29	-52.67
NC(=O)NC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653405	0	32	-1.0	-41.23	288.24	-2.45	-43.68
NC(=O)NC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653405	1	32	-1.0	-41.26	288.31	-2.44	-43.70
COC1CC2(C1)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004653406	0	37	-1.0	-48.31	309.30	2.89	-45.42
COC1CC2(C1)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004653406	1	37	-1.0	-48.35	309.36	2.90	-45.45
CON=C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653407	0	33	-1.0	-53.64	290.31	3.84	-49.80
CON=C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653407	1	33	-1.0	-54.08	289.88	3.83	-50.25
CON=C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653408	0	30	-1.0	-38.31	278.05	1.27	-37.04
CON=C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653408	1	30	-1.0	-38.29	278.12	1.28	-37.01
O=C(CCCC1=N[N-]N=N1)N1CCC12CC(C(F)F)C2	REAL250004653409	0	36	-1.0	-51.20	306.08	4.65	-46.55
O=C(CCCC1=NN=N[N-]1)N1CCC12CC(C(F)F)C2	REAL250004653409	1	36	-1.0	-51.21	306.14	4.66	-46.55
CC1=CON=C1C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653410	0	35	-1.0	-50.07	304.02	3.69	-46.38
CC1=CON=C1C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653410	1	35	-1.0	-50.06	304.08	3.70	-46.36
O=C(CCCC1=N[N-]N=N1)N1CC(CC(F)F)(C2CC2)C1	REAL250004653411	0	39	-1.0	-50.03	317.12	5.16	-44.87
O=C(CCCC1=NN=N[N-]1)N1CC(CC(F)F)(C2CC2)C1	REAL250004653411	1	39	-1.0	-50.03	317.18	5.17	-44.86
CC1(C)CC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004653412	0	40	-1.0	-53.58	333.73	3.86	-49.72
CC1(C)CC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004653412	1	40	-1.0	-53.62	333.79	3.87	-49.75
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=NNC2=O)C1	REAL250004653413	0	35	-1.0	-55.92	293.95	1.33	-54.59
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=NNC2=O)C1	REAL250004653413	1	35	-1.0	-55.89	294.00	1.35	-54.54
CC1(C)CCCC1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004653414	0	41	-1.0	-46.09	305.90	4.21	-41.88
CC1(C)CCCC1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004653414	1	41	-1.0	-46.08	305.95	4.23	-41.85
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(C2CC2)C=C1	REAL250004653415	0	42	-1.0	-48.41	349.81	6.35	-42.06
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(C2CC2)C=C1	REAL250004653415	1	42	-1.0	-48.42	349.86	6.37	-42.05
O=C(NCCCCCF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653416	0	37	-1.0	-53.48	315.01	5.81	-47.67
O=C(NCCCCCF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653416	1	37	-1.0	-53.27	315.07	5.83	-47.44
O=C(NCCCCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653417	0	34	-1.0	-36.44	300.85	2.72	-33.72
O=C(NCCCCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653417	1	34	-1.0	-36.39	300.92	2.73	-33.66
CCOCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653418	0	39	-1.0	-52.93	334.85	-0.06	-52.99
CCOCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653418	1	39	-1.0	-52.93	334.91	-0.04	-52.97
CC(CNC(=O)CCCC1=N[N-]N=N1)OC(C)(C)C	REAL250004653419	0	41	-1.0	-46.70	323.76	2.34	-44.36
CC(CNC(=O)CCCC1=NN=N[N-]1)OC(C)(C)C	REAL250004653419	1	41	-1.0	-46.73	323.82	2.36	-44.37
O=C(CCCC1=N[N-]N=N1)NCCCCCC1CC1	REAL250004653420	0	41	-1.0	-46.53	336.78	5.13	-41.40
O=C(CCCC1=NN=N[N-]1)NCCCCCC1CC1	REAL250004653420	1	41	-1.0	-46.56	336.84	5.15	-41.41
CC12CC(CCNC(=O)CCCC3=N[N-]N=N3)(C1)CO2	REAL250004653421	0	40	-1.0	-50.04	325.42	2.37	-47.67
CC12CC(CCNC(=O)CCCC3=NN=N[N-]3)(C1)CO2	REAL250004653421	1	40	-1.0	-50.04	325.48	2.39	-47.65
CC(C)CN1N=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653422	0	41	-1.0	-45.56	340.40	3.49	-42.07
CC(C)CN1N=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653422	1	41	-1.0	-45.57	340.45	3.51	-42.06
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCSCC2)C1	REAL250004653423	0	40	-1.0	-49.06	330.22	5.54	-43.52
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCSCC2)C1	REAL250004653423	1	40	-1.0	-49.07	330.28	5.55	-43.52
CC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004653424	0	30	-1.0	-55.64	282.13	2.53	-53.11
CC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004653424	1	30	-1.0	-55.68	282.19	2.54	-53.14
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=NC=CN21	REAL250004653425	0	39	-1.0	-50.94	315.41	4.13	-46.81
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=NC=CN21	REAL250004653425	1	39	-1.0	-50.99	315.47	4.14	-46.85
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004653426	0	34	-1.0	-47.84	308.73	4.85	-42.99
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004653426	1	34	-1.0	-47.85	308.79	4.87	-42.98
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004653427	0	38	-1.0	-47.27	327.66	4.94	-42.33
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004653427	1	38	-1.0	-47.30	327.71	4.96	-42.34
CC(F)(F)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653428	0	38	-1.0	-50.12	306.01	4.94	-45.18
CC(F)(F)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653428	1	38	-1.0	-50.10	306.07	4.95	-45.15
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCF)CC1	REAL250004653429	0	41	-1.0	-47.88	323.98	5.78	-42.10
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCF)CC1	REAL250004653429	1	41	-1.0	-47.86	324.04	5.80	-42.06
COC1(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653430	0	34	-1.0	-50.82	291.80	-2.33	-53.15
COC1(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653430	1	34	-1.0	-50.82	291.86	-2.31	-53.13
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NOCC2)C1	REAL250004653431	0	34	-1.0	-53.40	292.16	2.38	-51.02
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NOCC2)C1	REAL250004653431	1	34	-1.0	-53.43	292.22	2.40	-51.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NOCC2)C1	REAL250004653432	0	34	-1.0	-40.23	300.04	2.43	-37.80
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NOCC2)C1	REAL250004653432	1	34	-1.0	-40.26	300.11	2.44	-37.82
C[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004653433	0	39	-1.0	-47.10	315.53	4.12	-42.98
C[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004653433	1	39	-1.0	-47.09	315.58	4.13	-42.96
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004653434	0	38	-1.0	-46.84	323.48	0.93	-45.91
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004653434	1	38	-1.0	-46.87	323.53	0.95	-45.92
CC1=NN(C)C(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653435	0	33	-1.0	-47.72	290.73	3.61	-44.11
CC1=NN(C)C(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653435	1	33	-1.0	-47.69	290.78	3.62	-44.07
CC(C)NC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653436	0	39	-1.0	-55.13	329.86	1.07	-54.06
CC(C)NC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653436	1	39	-1.0	-55.13	329.91	1.08	-54.05
O=C(CCCC1=N[N-]N=N1)NCC1(CC2CC2)CCCC1	REAL250004653437	0	45	-1.0	-45.78	346.53	6.11	-39.67
O=C(CCCC1=NN=N[N-]1)NCC1(CC2CC2)CCCC1	REAL250004653437	1	45	-1.0	-45.75	346.58	6.12	-39.63
CCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653438	0	35	-1.0	-50.23	300.27	-0.38	-50.61
CCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653438	1	35	-1.0	-50.25	300.33	-0.36	-50.61
CCC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653439	0	35	-1.0	-40.89	310.87	-0.58	-41.47
CCC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653439	1	35	-1.0	-40.86	310.93	-0.57	-41.43
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@@H]1O	REAL250004653440	0	36	-1.0	-49.84	293.79	0.03	-49.81
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@@H]1O	REAL250004653440	1	36	-1.0	-49.85	293.85	0.04	-49.81
O=C(NC[C@@H]1CCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653441	0	36	-1.0	-37.40	303.88	-0.19	-37.59
O=C(NC[C@@H]1CCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653441	1	36	-1.0	-37.34	303.95	-0.18	-37.52
CC1=CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL250004653442	0	36	-1.0	-48.44	297.91	4.21	-44.23
CC1=CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL250004653442	1	36	-1.0	-48.44	297.97	4.23	-44.21
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H](CF)C1	REAL250004653443	0	41	-1.0	-46.81	328.10	4.62	-42.19
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H](CF)C1	REAL250004653443	1	41	-1.0	-46.82	328.16	4.64	-42.18
CNC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653444	0	37	-1.0	-56.00	316.33	-1.77	-57.77
CNC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653444	1	37	-1.0	-56.00	316.39	-1.75	-57.75
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN2N=CC=C12	REAL250004653445	0	31	-1.0	-53.67	276.21	2.79	-50.88
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN2N=CC=C12	REAL250004653445	1	31	-1.0	-53.66	276.15	2.77	-50.89
CN1C=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL250004653446	0	32	-1.0	-53.91	278.65	6.50	-47.41
CN1C=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL250004653446	1	32	-1.0	-53.73	278.76	6.50	-47.23
CN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004653447	0	29	-1.0	-39.97	264.99	3.39	-36.58
CN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004653447	1	29	-1.0	-40.06	264.92	3.36	-36.70
C=C1CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653448	0	33	-1.0	-52.73	289.16	5.48	-47.25
C=C1CC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653448	1	33	-1.0	-52.50	289.23	5.50	-47.00
C=C1CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653449	0	30	-1.0	-35.47	275.01	2.39	-33.08
C=C1CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653449	1	30	-1.0	-35.41	275.08	2.40	-33.01
CCC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004653450	0	34	-1.0	-46.40	307.27	2.18	-44.22
CCC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004653450	1	34	-1.0	-46.41	307.33	2.20	-44.21
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CC(F)(F)C2	REAL250004653451	0	39	-1.0	-48.12	329.52	4.57	-43.55
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CC(F)(F)C2	REAL250004653451	1	39	-1.0	-48.11	329.58	4.59	-43.52
CCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653452	0	40	-1.0	-46.14	312.28	3.94	-42.20
CCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653452	1	40	-1.0	-46.12	312.34	3.95	-42.17
CCCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653453	0	40	-1.0	-34.70	322.87	3.73	-30.97
CCCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653453	1	40	-1.0	-34.69	322.94	3.74	-30.95
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC(O)=CC=C2C=C1	REAL250004653454	0	36	-1.0	-53.11	310.50	2.78	-50.33
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC(O)=CC=C2C=C1	REAL250004653454	1	36	-1.0	-53.11	310.56	2.80	-50.31
O=C(CCCC1=N[N-]N=N1)NCC1CCOCC1	REAL250004653455	0	36	-1.0	-47.72	292.28	1.47	-46.25
O=C(CCCC1=NN=N[N-]1)NCC1CCOCC1	REAL250004653455	1	36	-1.0	-47.73	292.33	1.49	-46.24
O=C(NCC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653456	0	36	-1.0	-35.87	302.86	1.26	-34.61
O=C(NCC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653456	1	36	-1.0	-35.85	302.94	1.27	-34.58
CC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004653457	0	39	-1.0	-48.47	325.58	1.40	-47.07
CC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004653457	1	39	-1.0	-48.46	325.64	1.41	-47.05
O=C(NCC1C2CCC12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653458	0	36	-1.0	-52.21	302.33	6.30	-45.91
O=C(NCC1C2CCC12)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653458	1	36	-1.0	-51.94	302.81	6.31	-45.63
O=C(NCC1C2CCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653459	0	33	-1.0	-34.89	288.59	3.20	-31.69
O=C(NCC1C2CCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653459	1	33	-1.0	-34.86	288.65	3.21	-31.65
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004653460	0	41	-1.0	-50.05	328.27	4.72	-45.33
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004653460	1	41	-1.0	-50.08	328.33	4.73	-45.35
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004653461	0	38	-1.0	-46.73	307.71	1.76	-44.97
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004653461	1	38	-1.0	-46.72	307.76	1.78	-44.94
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004653462	0	38	-1.0	-35.60	318.26	1.52	-34.08
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004653462	1	38	-1.0	-35.59	318.33	1.52	-34.07
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C(F)F)=C1	REAL250004653463	0	32	-1.0	-48.26	285.46	4.22	-44.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C(F)F)=C1	REAL250004653463	1	32	-1.0	-48.26	285.52	4.23	-44.03
COC1=C(F)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004653464	0	33	-1.0	-45.01	298.38	2.94	-42.07
COC1=C(F)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004653464	1	33	-1.0	-45.06	298.44	2.96	-42.10
O=C(CCCC1=N[N-]N=N1)NC1COC2(CC2)C1	REAL250004653465	0	34	-1.0	-48.68	286.73	1.50	-47.18
O=C(CCCC1=NN=N[N-]1)NC1COC2(CC2)C1	REAL250004653465	1	34	-1.0	-48.68	286.79	1.51	-47.17
O=C(NC1COC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653466	0	34	-1.0	-36.03	297.33	1.29	-34.74
O=C(NC1COC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653466	1	34	-1.0	-36.01	297.39	1.29	-34.72
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CC[C@@]1(CO)C2	REAL250004653468	0	40	-1.0	-47.42	312.56	1.36	-46.06
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CC[C@@]1(CO)C2	REAL250004653468	1	40	-1.0	-47.44	312.62	1.37	-46.07
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004653469	0	47	-1.0	-46.27	330.80	5.67	-40.60
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004653469	1	47	-1.0	-46.30	330.86	5.68	-40.62
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CS1	REAL250004653470	0	29	-1.0	-45.01	286.19	3.08	-41.93
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CS1	REAL250004653470	1	29	-1.0	-45.02	286.24	3.10	-41.92
NC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653471	0	36	-1.0	-55.82	292.49	0.27	-55.55
NC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653471	1	36	-1.0	-55.87	292.54	0.29	-55.58
CC1=NOC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653472	0	36	-1.0	-50.17	303.17	1.59	-48.58
CC1=NOC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653472	1	36	-1.0	-50.18	303.23	1.61	-48.57
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)F	REAL250004653473	0	31	-1.0	-54.30	276.25	4.43	-49.87
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)F	REAL250004653473	1	31	-1.0	-54.09	276.35	4.45	-49.64
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004653474	0	28	-1.0	-36.17	262.46	1.31	-34.86
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004653474	1	28	-1.0	-36.15	262.53	1.32	-34.83
CC1(C)C(O)C(C)(C)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653475	0	42	-1.0	-46.72	323.37	1.33	-45.39
CC1(C)C(O)C(C)(C)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653475	1	42	-1.0	-46.69	323.43	1.34	-45.35
CC1=NN(C)C=C1C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653476	0	37	-1.0	-49.87	321.80	1.87	-48.00
CC1=NN(C)C=C1C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653476	1	37	-1.0	-49.90	321.86	1.89	-48.01
CCC(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004653477	0	39	-1.0	-49.80	314.23	2.39	-47.41
CCC(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004653477	1	39	-1.0	-49.81	314.29	2.40	-47.41
CC1=CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C=N1	REAL250004653478	0	37	-1.0	-48.63	312.17	4.59	-44.04
CC1=CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2C=N1	REAL250004653478	1	37	-1.0	-48.66	312.23	4.60	-44.06
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1=CN=CC=N1	REAL250004653479	0	34	-1.0	-48.16	300.54	0.18	-47.98
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1=CN=CC=N1	REAL250004653479	1	34	-1.0	-48.15	300.59	0.20	-47.95
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@@H]1N1C=CN=C1	REAL250004653480	0	37	-1.0	-49.18	309.03	2.78	-46.40
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@@H]1N1C=CN=C1	REAL250004653480	1	37	-1.0	-49.15	309.09	2.80	-46.35
O=C(CCCC1=N[N-]N=N1)NC12CCC(F)(CC1)C2	REAL250004653481	0	36	-1.0	-45.52	290.88	3.38	-42.14
O=C(CCCC1=NN=N[N-]1)NC12CCC(F)(CC1)C2	REAL250004653481	1	36	-1.0	-45.54	290.94	3.40	-42.14
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(CO)CC1	REAL250004653482	0	36	-1.0	-48.17	292.70	0.96	-47.21
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(CO)CC1	REAL250004653482	1	36	-1.0	-48.19	292.76	0.98	-47.21
CC(F)(F)C1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653483	0	38	-1.0	-51.28	317.78	3.91	-47.37
CC(F)(F)C1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653483	1	38	-1.0	-51.30	317.84	3.92	-47.38
O=C(CCCC1=N[N-]N=N1)NCC1C=CCCCC1	REAL250004653484	0	39	-1.0	-46.54	298.91	3.78	-42.76
O=C(CCCC1=NN=N[N-]1)NCC1C=CCCCC1	REAL250004653484	1	39	-1.0	-46.48	298.97	3.79	-42.69
O=C(NCC1C=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653485	0	39	-1.0	-34.89	309.50	3.56	-31.33
O=C(NCC1C=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653485	1	39	-1.0	-34.80	309.57	3.58	-31.22
CCCCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653486	0	40	-1.0	-53.37	328.17	6.68	-46.69
CCCCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653486	1	40	-1.0	-53.19	328.24	6.70	-46.49
CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653487	0	37	-1.0	-35.42	314.02	3.59	-31.83
CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653487	1	37	-1.0	-35.39	314.08	3.60	-31.79
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C2NC=CC2=C1	REAL250004653488	0	36	-1.0	-53.36	306.67	5.12	-48.24
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C2NC=CC2=C1	REAL250004653488	1	36	-1.0	-53.37	306.72	5.14	-48.23
CCOC(=O)C1=CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653489	0	39	-1.0	-47.54	325.48	5.05	-42.49
CCOC(=O)C1=CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653489	1	39	-1.0	-47.56	325.54	5.07	-42.49
COC(=O)C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653490	0	36	-1.0	-49.84	303.25	4.15	-45.69
COC(=O)C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653490	1	36	-1.0	-49.87	303.31	4.17	-45.70
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1CC[C@@H](O)CC1	REAL250004653491	0	39	-1.0	-48.00	304.09	1.76	-46.24
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1CC[C@@H](O)CC1	REAL250004653491	1	39	-1.0	-48.02	304.15	1.78	-46.24
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004653492	0	39	-1.0	-49.84	318.34	2.33	-47.51
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004653492	1	39	-1.0	-49.82	318.40	2.34	-47.48
NC(=O)C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004653493	0	38	-1.0	-52.15	322.65	-2.24	-54.39
NC(=O)C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004653493	1	38	-1.0	-52.18	322.71	-2.23	-54.41
CO[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653494	0	36	-1.0	-48.07	289.29	2.62	-45.45
CO[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653494	1	36	-1.0	-48.03	289.35	2.63	-45.40
CO[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653495	0	36	-1.0	-34.88	297.35	2.87	-32.01
CO[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653495	1	36	-1.0	-34.84	297.41	2.88	-31.96
CC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004653496	0	36	-1.0	-46.71	290.01	2.77	-43.94
CC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004653496	1	36	-1.0	-46.70	290.06	2.79	-43.91
CC[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004653497	0	36	-1.0	-34.63	297.61	3.04	-31.59
CC[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004653497	1	36	-1.0	-34.64	297.68	3.05	-31.59
CSCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004653498	0	41	-1.0	-47.83	329.82	4.45	-43.38
CSCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004653498	1	41	-1.0	-47.83	329.88	4.46	-43.37
O=C(CCCC1=N[N-]N=N1)NCCC12CCC(CC1)C2	REAL250004653499	0	42	-1.0	-46.87	324.86	4.65	-42.22
O=C(CCCC1=NN=N[N-]1)NCCC12CCC(CC1)C2	REAL250004653499	1	42	-1.0	-46.88	324.92	4.66	-42.22
CC12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)CO2	REAL250004653500	0	37	-1.0	-46.81	304.28	1.76	-45.05
CC12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)CO2	REAL250004653500	1	37	-1.0	-46.80	304.34	1.78	-45.02
O=C(CCCC1=N[N-]N=N1)N(CCCO)C1CCCCC1	REAL250004653501	0	45	-1.0	-49.69	346.04	3.37	-46.32
O=C(CCCC1=NN=N[N-]1)N(CCCO)C1CCCCC1	REAL250004653501	1	45	-1.0	-49.70	346.09	3.38	-46.32
CCC(O)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653502	0	38	-1.0	-39.37	308.84	4.53	-34.84
CCC(O)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653502	1	38	-1.0	-39.21	308.94	4.55	-34.66
CCC(O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653503	0	35	-1.0	-38.02	296.21	1.35	-36.67
CCC(O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653503	1	35	-1.0	-38.03	296.28	1.36	-36.67
CO[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653504	0	36	-1.0	-48.06	289.28	2.62	-45.44
CO[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653504	1	36	-1.0	-48.05	289.33	2.63	-45.42
CO[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653505	0	36	-1.0	-35.07	297.81	2.83	-32.24
CO[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653505	1	36	-1.0	-35.10	297.87	2.84	-32.26
CC(C)(C)C1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653506	0	44	-1.0	-46.46	340.19	4.72	-41.74
CC(C)(C)C1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653506	1	44	-1.0	-46.47	340.25	4.73	-41.74
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)OC2	REAL250004653507	0	34	-1.0	-46.76	282.40	1.14	-45.62
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)OC2	REAL250004653507	1	34	-1.0	-46.78	282.46	1.15	-45.63
O=C(NCC12CC(C1)OC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653508	0	34	-1.0	-36.61	293.07	0.94	-35.67
O=C(NCC12CC(C1)OC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653508	1	34	-1.0	-36.59	293.14	0.95	-35.64
O=C(CCCC1=N[N-]N=N1)NCC12CCCC1C2(F)F	REAL250004653509	0	36	-1.0	-47.50	303.68	4.07	-43.43
O=C(CCCC1=NN=N[N-]1)NCC12CCCC1C2(F)F	REAL250004653509	1	36	-1.0	-47.54	303.74	4.08	-43.46
COC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004653510	0	37	-1.0	-48.23	302.85	1.19	-47.04
COC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004653510	1	37	-1.0	-48.24	302.91	1.21	-47.03
COC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004653511	0	37	-1.0	-48.23	302.85	1.19	-47.04
COC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004653511	1	37	-1.0	-48.25	302.91	1.21	-47.04
CSCC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653512	0	33	-1.0	-48.17	292.51	3.91	-44.26
CSCC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653512	1	33	-1.0	-48.20	292.57	3.93	-44.27
CSCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653513	0	33	-1.0	-38.48	300.49	3.83	-34.65
CSCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653513	1	33	-1.0	-38.45	300.55	3.84	-34.61
NC(=O)CC1COC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653514	0	40	-1.0	-54.96	331.65	-1.85	-56.81
NC(=O)CC1COC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653514	1	40	-1.0	-55.01	331.71	-1.84	-56.85
CC(NC(=O)CCCC1=N[N-]N=N1)C1COCCO1	REAL250004653515	0	37	-1.0	-46.39	300.69	0.45	-45.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1COCCO1	REAL250004653515	1	37	-1.0	-46.42	300.75	0.47	-45.95
COC(=O)C(C)(C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004653516	0	35	-1.0	-57.77	303.35	3.65	-54.12
COC(=O)C(C)(C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004653516	1	35	-1.0	-57.80	303.41	3.67	-54.13
CC1(C)CC(CCNC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004653517	0	42	-1.0	-48.84	337.90	2.78	-46.06
CC1(C)CC(CCNC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004653517	1	42	-1.0	-48.84	337.96	2.79	-46.05
CC(C)CN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653518	0	41	-1.0	-49.71	344.81	3.57	-46.14
CC(C)CN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653518	1	41	-1.0	-49.74	344.86	3.58	-46.16
CC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653519	0	37	-1.0	-51.10	300.59	4.07	-47.03
CC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653519	1	37	-1.0	-51.11	300.65	4.09	-47.02
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(CCF)C1	REAL250004653520	0	35	-1.0	-57.30	295.93	6.12	-51.18
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(CCF)C1	REAL250004653520	1	35	-1.0	-56.70	296.62	6.07	-50.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CCF)C1	REAL250004653521	0	32	-1.0	-37.88	283.83	3.53	-34.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CCF)C1	REAL250004653521	1	32	-1.0	-37.88	283.89	3.54	-34.34
CS(=O)(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653522	0	35	-1.0	-58.97	311.42	0.23	-58.74
CS(=O)(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653522	1	35	-1.0	-58.94	311.48	0.24	-58.70
O=C(CCCC1=N[N-]N=N1)N1CC(N2CC(F)C2)C1	REAL250004653523	0	35	-1.0	-49.28	297.74	0.89	-48.39
O=C(CCCC1=NN=N[N-]1)N1CC(N2CC(F)C2)C1	REAL250004653523	1	35	-1.0	-49.31	297.80	0.91	-48.40
O=C(CCCC1=NN=N[N-]1)N1CC(OC2=CC=CC=N2)C1	REAL250004653524	0	36	-1.0	-49.18	313.28	2.21	-46.97
O=C(CCCC1=N[N-]N=N1)N1CC(OC2=CC=CC=N2)C1	REAL250004653524	1	36	-1.0	-49.16	313.22	2.19	-46.97
COC(=O)C1(OC)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653525	0	36	-1.0	-52.15	312.74	2.18	-49.97
COC(=O)C1(OC)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653525	1	36	-1.0	-52.18	312.79	2.19	-49.99
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1CC1	REAL250004653526	0	36	-1.0	-47.51	298.72	5.60	-41.91
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1CC1	REAL250004653526	1	36	-1.0	-47.51	298.78	5.61	-41.90
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004653527	0	38	-1.0	-47.08	325.93	1.83	-45.25
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004653527	1	38	-1.0	-47.08	325.99	1.84	-45.24
CCC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653528	0	47	-1.0	-45.69	351.28	5.60	-40.09
CCC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653528	1	47	-1.0	-45.69	351.34	5.61	-40.08
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@@H]1C(F)F	REAL250004653529	0	32	-1.0	-51.75	276.77	2.69	-49.06
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@@H]1C(F)F	REAL250004653529	1	32	-1.0	-51.79	276.81	2.70	-49.09
O=C(NC[C@@H]1C[C@@H]1C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653530	0	32	-1.0	-38.70	287.35	2.48	-36.22
O=C(NC[C@@H]1C[C@@H]1C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653530	1	32	-1.0	-38.62	287.41	2.49	-36.13
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(CO)C=C1	REAL250004653531	0	39	-1.0	-50.43	333.40	1.58	-48.85
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(CO)C=C1	REAL250004653531	1	39	-1.0	-50.48	333.45	1.59	-48.89
CC1=CC=C(C(C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653532	0	41	-1.0	-48.71	331.02	6.12	-42.59
CC1=CC=C(C(C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653532	1	41	-1.0	-48.71	331.07	6.13	-42.58
CCCN(C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004653533	0	34	-1.0	-45.25	296.48	4.96	-40.29
CCCN(C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004653533	1	34	-1.0	-45.32	296.43	4.95	-40.37
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2CCC2)=C1	REAL250004653534	0	35	-1.0	-45.50	297.55	4.64	-40.86
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2CCC2)=C1	REAL250004653534	1	35	-1.0	-45.51	297.60	4.65	-40.86
CCC(C)S(C)(=O)=NC(=O)CCCC1=N[N-]N=N1	REAL250004653535	0	36	-1.0	-60.49	306.47	1.88	-58.61
CCC(C)S(C)(=O)=NC(=O)CCCC1=NN=N[N-]1	REAL250004653535	1	36	-1.0	-60.46	306.53	1.90	-58.56
CC(C)C1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653536	0	39	-1.0	-47.80	322.70	2.55	-45.25
CC(C)C1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653536	1	39	-1.0	-47.85	322.76	2.56	-45.29
CC1(C)CCCCC1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004653537	0	44	-1.0	-45.83	315.02	4.82	-41.01
CC1(C)CCCCC1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004653537	1	44	-1.0	-45.81	315.08	4.84	-40.97
CCNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653538	0	36	-1.0	-55.13	309.24	0.26	-54.87
CCNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653538	1	36	-1.0	-55.19	309.30	0.27	-54.92
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004653539	0	35	-1.0	-50.22	301.04	4.41	-45.81
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004653539	1	35	-1.0	-50.22	301.09	4.42	-45.80
O=C(CCCC1=N[N-]N=N1)NC12CC(CO)(C1)OC2	REAL250004653540	0	35	-1.0	-54.89	293.26	-2.51	-57.40
O=C(CCCC1=NN=N[N-]1)NC12CC(CO)(C1)OC2	REAL250004653540	1	35	-1.0	-54.91	293.32	-2.49	-57.40
CC1OC2(CO)CC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653541	0	38	-1.0	-55.28	311.63	-1.90	-57.18
CC1OC2(CO)CC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653541	1	38	-1.0	-55.29	311.69	-1.89	-57.18
O=C(CCCC1=N[N-]N=N1)NCC12CCC(CO)(CO1)C2	REAL250004653542	0	41	-1.0	-48.03	331.81	-0.95	-48.98
O=C(CCCC1=NN=N[N-]1)NCC12CCC(CO)(CO1)C2	REAL250004653542	1	41	-1.0	-48.04	331.86	-0.94	-48.98
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC[C@H]1O	REAL250004653543	0	36	-1.0	-49.99	293.33	0.02	-49.97
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC[C@H]1O	REAL250004653543	1	36	-1.0	-50.03	293.39	0.04	-49.99
O=C(NC[C@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653544	0	36	-1.0	-37.27	304.71	-0.22	-37.49
O=C(NC[C@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653544	1	36	-1.0	-37.26	304.78	-0.22	-37.48
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(C1)C2O	REAL250004653545	0	37	-1.0	-48.18	285.86	2.01	-46.17
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(C1)C2O	REAL250004653545	1	37	-1.0	-48.18	285.92	2.03	-46.15
CC(C)(C)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653546	0	45	-1.0	-48.88	335.03	2.84	-46.04
CC(C)(C)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653546	1	45	-1.0	-48.94	335.09	2.86	-46.08
COC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653547	0	39	-1.0	-53.29	317.41	3.41	-49.88
COC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653547	1	39	-1.0	-53.34	317.47	3.42	-49.92
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC(F)(F)[C@H]1O	REAL250004653548	0	33	-1.0	-48.07	285.75	-0.52	-48.59
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC(F)(F)[C@H]1O	REAL250004653548	1	33	-1.0	-48.09	285.81	-0.51	-48.60
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2C(=O)OC[C@@]21CO	REAL250004653549	0	37	-1.0	-50.89	303.31	2.19	-48.70
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2C(=O)OC[C@@]21CO	REAL250004653549	1	37	-1.0	-50.85	303.37	2.20	-48.65
O=C(CCCC1=N[N-]N=N1)NCC(O)CCC1CC1	REAL250004653550	0	39	-1.0	-46.19	325.52	1.06	-45.13
O=C(CCCC1=NN=N[N-]1)NCC(O)CCC1CC1	REAL250004653550	1	39	-1.0	-46.18	325.57	1.07	-45.11
CC(C)(C)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004653551	0	42	-1.0	-56.12	334.01	1.12	-55.00
CC(C)(C)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004653551	1	42	-1.0	-56.11	334.07	1.13	-54.98
CC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653552	0	40	-1.0	-49.12	318.30	4.85	-44.27
CC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653552	1	40	-1.0	-49.14	318.36	4.87	-44.27
O=C(CCCC1=N[N-]N=N1)N1CCCC[C@H]1C(F)(F)F	REAL250004653553	0	35	-1.0	-50.40	285.08	4.57	-45.83
O=C(CCCC1=NN=N[N-]1)N1CCCC[C@H]1C(F)(F)F	REAL250004653553	1	35	-1.0	-50.45	285.14	4.59	-45.86
O=C(CCCC1=N[N-]N=N1)N1CCCC[C@@H]1C(F)(F)F	REAL250004653554	0	35	-1.0	-50.39	285.09	4.56	-45.83
O=C(CCCC1=NN=N[N-]1)N1CCCC[C@@H]1C(F)(F)F	REAL250004653554	1	35	-1.0	-50.41	285.15	4.58	-45.83
CC1=CC=CC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653555	0	41	-1.0	-47.14	337.45	5.50	-41.64
CC1=CC=CC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653555	1	41	-1.0	-47.18	337.50	5.52	-41.66
O=C(CCCC1=N[N-]N=N1)NCC1(O)CC2CCC(C2)C1	REAL250004653556	0	43	-1.0	-47.07	320.70	2.55	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1(O)CC2CCC(C2)C1	REAL250004653556	1	43	-1.0	-47.14	320.75	2.57	-44.57
CC1(C)C=CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653557	0	36	-1.0	-55.95	290.13	6.52	-49.43
CC1(C)C=CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653557	1	36	-1.0	-55.58	290.81	6.54	-49.04
CC1(C)C=CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653558	0	33	-1.0	-36.75	278.84	4.21	-32.54
CC1(C)C=CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653558	1	33	-1.0	-36.71	278.91	4.22	-32.49
CC1NC(=O)OC12CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004653559	0	38	-1.0	-58.32	310.92	0.28	-58.04
CC1NC(=O)OC12CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004653559	1	38	-1.0	-58.34	310.98	0.30	-58.04
CC(C)CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004653560	0	40	-1.0	-47.43	336.35	3.66	-43.77
CC(C)CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004653560	1	40	-1.0	-47.47	336.41	3.68	-43.79
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2NC(=O)O[C@H]2C1	REAL250004653561	0	35	-1.0	-58.75	286.81	-0.10	-58.85
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2NC(=O)O[C@H]2C1	REAL250004653561	1	35	-1.0	-58.76	286.86	-0.08	-58.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004653562	0	34	-1.0	-49.33	298.62	2.57	-46.76
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004653562	1	34	-1.0	-49.30	298.67	2.59	-46.71
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653563	0	37	-1.0	-54.73	313.77	6.01	-48.72
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653563	1	37	-1.0	-54.72	313.83	6.02	-48.70
CC1CC2CCCCC2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653564	0	45	-1.0	-46.41	328.88	6.68	-39.73
CC1CC2CCCCC2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653564	1	45	-1.0	-46.41	328.94	6.69	-39.72
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC=CCC1	REAL250004653565	0	39	-1.0	-45.87	305.55	4.26	-41.61
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC=CCC1	REAL250004653565	1	39	-1.0	-45.86	305.61	4.28	-41.58
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CCC1	REAL250004653566	0	39	-1.0	-34.84	316.03	4.06	-30.78
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CCC1	REAL250004653566	1	39	-1.0	-34.79	316.10	4.06	-30.73
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=NC=CN21	REAL250004653567	0	39	-1.0	-50.94	315.41	4.13	-46.81
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=NC=CN21	REAL250004653567	1	39	-1.0	-50.99	315.47	4.14	-46.85
C[C@H]1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653568	0	35	-1.0	-39.19	280.82	6.05	-33.14
C[C@H]1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653568	1	35	-1.0	-39.06	280.92	6.06	-33.00
C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653569	0	32	-1.0	-36.46	267.91	3.83	-32.63
C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653569	1	32	-1.0	-36.43	267.97	3.84	-32.59
CC1=NN=C(CCCNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004653570	0	40	-1.0	-55.66	337.48	3.86	-51.80
CC1=NN=C(CCCNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004653570	1	40	-1.0	-55.64	337.54	3.88	-51.76
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1O2	REAL250004653571	0	37	-1.0	-45.98	289.30	1.96	-44.02
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1O2	REAL250004653571	1	37	-1.0	-45.98	289.36	1.98	-44.00
C[C@H]1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653572	0	35	-1.0	-39.19	280.82	6.05	-33.14
C[C@H]1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653572	1	35	-1.0	-39.06	280.92	6.06	-33.00
C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653573	0	32	-1.0	-36.46	267.91	3.83	-32.63
C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653573	1	32	-1.0	-36.43	267.97	3.84	-32.59
COC(=O)CON(C)C(=O)CCCC1=N[N-]N=N1	REAL250004653574	0	32	-1.0	-46.84	285.74	3.09	-43.75
COC(=O)CON(C)C(=O)CCCC1=NN=N[N-]1	REAL250004653574	1	32	-1.0	-46.87	285.80	3.11	-43.76
COC(=O)CON(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653575	0	32	-1.0	-40.67	293.80	3.49	-37.18
COC(=O)CON(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653575	1	32	-1.0	-40.64	293.87	3.51	-37.13
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)CC(F)(F)C1	REAL250004653576	0	39	-1.0	-47.75	313.02	5.42	-42.33
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)CC(F)(F)C1	REAL250004653576	1	39	-1.0	-47.78	313.07	5.43	-42.35
CP(C)(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653577	0	41	-1.0	-56.01	334.33	3.12	-52.89
CP(C)(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653577	1	41	-1.0	-56.01	334.39	3.14	-52.87
CN(C)C(=O)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653578	0	39	-1.0	-53.10	332.68	1.50	-51.60
CN(C)C(=O)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653578	1	39	-1.0	-53.11	332.73	1.51	-51.60
CP(C)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653579	0	41	-1.0	-53.84	335.09	3.18	-50.66
CP(C)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653579	1	41	-1.0	-53.87	335.14	3.20	-50.67
COC(=O)C1CC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004653581	0	35	-1.0	-56.56	296.26	3.85	-52.71
COC(=O)C1CC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004653581	1	35	-1.0	-56.61	296.32	3.86	-52.75
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C(F)F	REAL250004653582	0	32	-1.0	-47.50	283.40	2.93	-44.57
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C(F)F	REAL250004653582	1	32	-1.0	-47.54	283.46	2.95	-44.59
O=C(NC[C@@H]1C[C@H]1C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653583	0	32	-1.0	-36.41	293.98	2.72	-33.69
O=C(NC[C@@H]1C[C@H]1C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653583	1	32	-1.0	-36.37	294.05	2.73	-33.64
CC1=CC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C=C1	REAL250004653584	0	37	-1.0	-49.90	315.93	4.39	-45.51
CC1=CC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C=C1	REAL250004653584	1	37	-1.0	-49.92	315.98	4.40	-45.52
CC1=CN2C=C(NC(=O)CCCC3=N[N-]N=N3)C=CC2=N1	REAL250004653585	0	35	-1.0	-52.19	304.35	4.52	-47.67
CC1=CN2C=C(NC(=O)CCCC3=NN=N[N-]3)C=CC2=N1	REAL250004653585	1	35	-1.0	-52.19	304.40	4.54	-47.65
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCCCC2C1	REAL250004653586	0	40	-1.0	-48.05	314.71	3.45	-44.60
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCCCC2C1	REAL250004653586	1	40	-1.0	-48.08	314.77	3.46	-44.62
O=C(CCCC1=N[N-]N=N1)N1CCC2(C=CCO2)CC1	REAL250004653587	0	38	-1.0	-47.32	303.11	3.64	-43.68
O=C(CCCC1=NN=N[N-]1)N1CCC2(C=CCO2)CC1	REAL250004653587	1	38	-1.0	-47.33	303.17	3.65	-43.68
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C=CCO2)C1	REAL250004653588	0	38	-1.0	-50.96	303.59	3.57	-47.39
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C=CCO2)C1	REAL250004653588	1	38	-1.0	-51.01	303.65	3.58	-47.43
O=C(CCCC1=NN=N[N-]1)NC1=NN2C=CN=CC2=N1	REAL250004653589	0	30	-1.0	-54.96	272.05	3.91	-51.05
O=C(CCCC1=N[N-]N=N1)NC1=NN2C=CN=CC2=N1	REAL250004653589	1	30	-1.0	-54.93	271.99	3.90	-51.03
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004653590	0	39	-1.0	-47.08	321.75	4.32	-42.76
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004653590	1	39	-1.0	-47.04	321.81	4.33	-42.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CC2)=C1	REAL250004653591	0	36	-1.0	-49.28	302.48	5.46	-43.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CC2)=C1	REAL250004653591	1	36	-1.0	-49.28	302.53	5.47	-43.81
CCN(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004653592	0	42	-1.0	-48.44	325.83	4.26	-44.18
CCN(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004653592	1	42	-1.0	-48.44	325.89	4.28	-44.16
O=C(NC12CC(C1)OC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653593	0	34	-1.0	-56.12	284.46	3.10	-53.02
O=C(NC12CC(C1)OC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653593	1	34	-1.0	-55.76	284.93	3.08	-52.68
O=C(NC12CC(C1)OC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653594	0	31	-1.0	-36.85	271.01	-0.04	-36.89
O=C(NC12CC(C1)OC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653594	1	31	-1.0	-36.78	271.08	-0.04	-36.82
COC(=O)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653595	0	39	-1.0	-53.03	324.76	1.36	-51.67
COC(=O)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653595	1	39	-1.0	-53.03	324.82	1.38	-51.65
C#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004653596	0	34	-1.0	-48.21	311.89	4.68	-43.53
C#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004653596	1	34	-1.0	-48.23	311.95	4.70	-43.53
COCC1CC2(CCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653597	0	40	-1.0	-54.52	328.58	3.49	-51.03
COCC1CC2(CCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653597	1	40	-1.0	-54.52	328.64	3.50	-51.02
CC12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C(C)(C)O2	REAL250004653598	0	40	-1.0	-45.99	315.95	1.94	-44.05
CC12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C(C)(C)O2	REAL250004653598	1	40	-1.0	-45.99	316.01	1.96	-44.03
COCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004653599	0	34	-1.0	-50.97	298.23	0.32	-50.65
COCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004653599	1	34	-1.0	-51.04	298.29	0.33	-50.71
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653601	0	38	-1.0	-51.30	314.78	4.40	-46.90
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653601	1	38	-1.0	-51.38	315.27	4.38	-47.00
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653602	0	35	-1.0	-36.09	301.05	1.27	-34.82
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653602	1	35	-1.0	-36.11	301.12	1.28	-34.83
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653603	0	38	-1.0	-51.33	314.24	4.40	-46.93
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653603	1	38	-1.0	-51.12	314.34	4.42	-46.70
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653604	0	35	-1.0	-36.10	300.46	1.29	-34.81
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653604	1	35	-1.0	-36.07	300.52	1.30	-34.77
CC1=CN(C(F)F)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653605	0	32	-1.0	-52.16	292.01	3.19	-48.97
CC1=CN(C(F)F)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653605	1	32	-1.0	-52.18	291.95	3.17	-49.01
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NC=C1F	REAL250004653606	0	34	-1.0	-50.76	301.23	2.53	-48.23
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NC=C1F	REAL250004653606	1	34	-1.0	-50.79	301.29	2.55	-48.24
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1O	REAL250004653607	0	36	-1.0	-48.95	287.89	0.28	-48.67
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1O	REAL250004653607	1	36	-1.0	-49.01	287.95	0.30	-48.71
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653608	0	36	-1.0	-36.90	300.26	-0.16	-37.06
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653608	1	36	-1.0	-36.91	300.32	-0.14	-37.05
CC1CC(CO)N1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653609	0	36	-1.0	-58.17	293.83	2.74	-55.43
CC1CC(CO)N1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653609	1	36	-1.0	-59.49	293.90	2.72	-56.77
CC1CC(CO)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653610	0	33	-1.0	-40.55	284.56	0.56	-39.99
CC1CC(CO)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653610	1	33	-1.0	-40.55	284.63	0.56	-39.99
O=C(CCCC1=NN=N[N-]1)NCC1(N2C=CN=N2)CC1	REAL250004653611	0	35	-1.0	-48.17	305.98	1.41	-46.76
O=C(CCCC1=N[N-]N=N1)NCC1(N2C=CN=N2)CC1	REAL250004653611	1	35	-1.0	-48.16	305.92	1.40	-46.76
CO[C@@H](CO)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653612	0	36	-1.0	-57.74	307.43	0.15	-57.59
CO[C@@H](CO)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653612	1	36	-1.0	-57.53	307.53	0.16	-57.37
CO[C@@H](CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653613	0	33	-1.0	-39.29	293.70	-2.99	-42.28
CO[C@@H](CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653613	1	33	-1.0	-39.24	293.77	-2.98	-42.22
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC(O)C1	REAL250004653614	0	42	-1.0	-48.36	323.19	1.12	-47.24
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC(O)C1	REAL250004653614	1	42	-1.0	-48.36	323.25	1.14	-47.22
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCC1	REAL250004653615	0	39	-1.0	-47.25	311.68	0.62	-46.63
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCC1	REAL250004653615	1	39	-1.0	-47.24	311.74	0.64	-46.60
C[C@H](O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004653616	0	36	-1.0	-49.22	303.70	1.65	-47.57
C[C@H](O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004653616	1	36	-1.0	-49.26	303.76	1.66	-47.60
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=C1CCCC2	REAL250004653617	0	36	-1.0	-54.25	298.30	3.36	-50.89
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=C1CCCC2	REAL250004653617	1	36	-1.0	-54.23	298.36	3.38	-50.85
CC1=CN=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653618	0	34	-1.0	-49.16	301.19	2.27	-46.89
CC1=CN=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653618	1	34	-1.0	-49.16	301.13	2.25	-46.91
O=C(CCCC1=NN=N[N-]1)NCC1(N2C=NC=N2)CC1	REAL250004653619	0	35	-1.0	-47.43	307.05	4.03	-43.40
O=C(CCCC1=N[N-]N=N1)NCC1(N2C=NC=N2)CC1	REAL250004653619	1	35	-1.0	-47.43	307.00	4.02	-43.41
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004653620	1	42	-1.0	-47.96	320.32	0.63	-47.33
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004653620	1	42	-1.0	-47.96	320.37	0.65	-47.31
O=C(CCCC1=N[N-]N=N1)NC1=CN=C(C2CCC2)N=C1	REAL250004653621	0	37	-1.0	-49.68	311.54	3.45	-46.23
O=C(CCCC1=NN=N[N-]1)NC1=CN=C(C2CCC2)N=C1	REAL250004653621	1	37	-1.0	-49.74	311.59	3.46	-46.28
O=C(CCCC1=N[N-]N=N1)NC1CCC2(C1)CCCCC2	REAL250004653622	0	45	-1.0	-46.40	338.91	5.32	-41.08
O=C(CCCC1=NN=N[N-]1)NC1CCC2(C1)CCCCC2	REAL250004653622	1	45	-1.0	-46.43	338.97	5.34	-41.09
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OCCO)=C1	REAL250004653623	0	37	-1.0	-55.70	315.99	0.47	-55.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OCCO)=C1	REAL250004653623	1	37	-1.0	-55.66	316.05	0.48	-55.18
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2OCCC2=C1	REAL250004653624	0	33	-1.0	-50.18	283.90	0.17	-50.01
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2OCCC2=C1	REAL250004653624	1	33	-1.0	-50.17	283.85	0.16	-50.01
O=C(CCCC1=N[N-]N=N1)NC1=C(O)C=CC(Cl)=C1F	REAL250004653625	0	30	-1.0	-52.23	290.73	1.21	-51.02
O=C(CCCC1=NN=N[N-]1)NC1=C(O)C=CC(Cl)=C1F	REAL250004653625	1	30	-1.0	-52.29	290.79	1.23	-51.06
NC(=O)C1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004653626	0	40	-1.0	-53.56	331.92	0.43	-53.13
NC(=O)C1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004653626	1	40	-1.0	-53.58	331.98	0.44	-53.14
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCCCO2	REAL250004653627	0	40	-1.0	-49.57	312.34	3.55	-46.02
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCCCO2	REAL250004653627	1	40	-1.0	-49.62	312.39	3.56	-46.06
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(C(F)(F)F)C1	REAL250004653628	0	32	-1.0	-48.27	287.39	3.83	-44.44
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(C(F)(F)F)C1	REAL250004653628	1	32	-1.0	-48.33	287.45	3.85	-44.48
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004653629	0	41	-1.0	-48.41	332.24	4.78	-43.63
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004653629	1	41	-1.0	-48.45	332.30	4.80	-43.65
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H]2CSC[C@H]2C1	REAL250004653630	0	37	-1.0	-47.10	308.46	4.06	-43.04
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2CSC[C@H]2C1	REAL250004653630	1	37	-1.0	-47.11	308.52	4.08	-43.03
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004653631	0	45	-1.0	-47.07	341.55	5.95	-41.12
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004653631	1	45	-1.0	-47.12	341.60	5.96	-41.16
CC(C)N1C=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653632	0	38	-1.0	-50.20	322.58	4.03	-46.17
CC(C)N1C=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653632	1	38	-1.0	-50.23	322.64	4.04	-46.19
O=C(CCCC1=N[N-]N=N1)NC1CCCOC12CCC2	REAL250004653634	0	40	-1.0	-45.34	317.00	2.90	-42.44
O=C(CCCC1=NN=N[N-]1)NC1CCCOC12CCC2	REAL250004653634	1	40	-1.0	-45.37	317.06	2.91	-42.46
CN(C)C(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004653635	0	40	-1.0	-56.50	324.26	1.78	-54.72
CN(C)C(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004653635	1	40	-1.0	-56.50	324.32	1.80	-54.70
CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)COC1	REAL250004653636	0	36	-1.0	-57.16	292.78	4.82	-52.34
CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)COC1	REAL250004653636	1	36	-1.0	-57.01	292.87	4.83	-52.18
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004653637	0	33	-1.0	-38.16	279.05	1.70	-36.46
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004653637	1	33	-1.0	-38.09	279.12	1.71	-36.38
O=C(CCCC1=N[N-]N=N1)NN=C1CCC2=CC=CC=C21	REAL250004653638	0	36	-1.0	-52.61	304.94	4.94	-47.67
O=C(CCCC1=NN=N[N-]1)NN=C1CCC2=CC=CC=C21	REAL250004653638	1	36	-1.0	-52.60	305.00	4.95	-47.65
CN1C2=CC=NC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653639	0	34	-1.0	-58.78	296.74	4.78	-54.00
CN1C2=CC=NC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653639	1	34	-1.0	-58.82	296.80	4.80	-54.02
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)F	REAL250004653640	0	31	-1.0	-54.20	276.39	4.48	-49.72
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)F	REAL250004653640	1	31	-1.0	-54.53	276.88	4.47	-50.06
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004653641	0	28	-1.0	-36.29	262.65	1.35	-34.94
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004653641	1	28	-1.0	-36.25	262.72	1.36	-34.89
CC1CCNC(=O)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653642	0	39	-1.0	-48.79	310.44	0.30	-48.49
CC1CCNC(=O)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653642	1	39	-1.0	-48.81	310.50	0.31	-48.50
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[C@@H]2C12CC2	REAL250004653643	0	40	-1.0	-47.74	310.35	5.74	-42.00
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[C@@H]2C12CC2	REAL250004653643	1	40	-1.0	-47.75	310.41	5.76	-41.99
O=C(CCCC1=N[N-]N=N1)N[C@H](CCO)C1CC1	REAL250004653644	0	36	-1.0	-46.85	293.91	0.83	-46.02
O=C(CCCC1=NN=N[N-]1)N[C@H](CCO)C1CC1	REAL250004653644	1	36	-1.0	-46.90	293.96	0.85	-46.05
O=C(N[C@H](CCO)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653645	0	36	-1.0	-36.02	304.50	0.64	-35.38
O=C(N[C@H](CCO)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653645	1	36	-1.0	-36.01	304.56	0.65	-35.36
CC#CCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653646	0	36	-1.0	-55.44	313.27	6.48	-48.96
CC#CCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653646	1	36	-1.0	-55.19	313.34	6.50	-48.69
CC#CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653647	0	33	-1.0	-37.81	299.12	3.39	-34.42
CC#CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653647	1	33	-1.0	-37.81	299.18	3.40	-34.41
NS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653648	0	32	-1.0	-55.72	291.10	-6.01	-61.73
NS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653648	1	32	-1.0	-55.73	291.16	-6.00	-61.73
CC(C)C(O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004653649	0	38	-1.0	-46.83	304.47	0.76	-46.07
CC(C)C(O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004653649	1	38	-1.0	-46.81	304.53	0.78	-46.03
CC(C)C(O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653650	0	38	-1.0	-36.26	313.31	-0.05	-36.31
CC(C)C(O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653650	1	38	-1.0	-36.22	313.37	-0.04	-36.26
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1C(=O)NC2	REAL250004653651	0	37	-1.0	-47.80	291.23	1.72	-46.08
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1C(=O)NC2	REAL250004653651	1	37	-1.0	-47.80	291.29	1.74	-46.06
COCC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653652	0	40	-1.0	-48.00	311.51	2.76	-45.24
COCC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653652	1	40	-1.0	-48.01	311.56	2.77	-45.24
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004653653	0	39	-1.0	-47.94	325.93	2.03	-45.91
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004653653	1	39	-1.0	-47.97	325.99	2.05	-45.92
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2CC2)C=N1	REAL250004653654	0	32	-1.0	-54.11	282.37	5.89	-48.22
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2CC2)C=N1	REAL250004653654	1	32	-1.0	-54.08	282.32	5.87	-48.21
O=C(NC1=NN(C2CC2)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653655	0	32	-1.0	-42.57	292.96	5.70	-36.87
O=C(NC1=NN(C2CC2)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653655	1	32	-1.0	-42.57	292.89	5.68	-36.89
O=C(CCCC1=N[N-]N=N1)N1CCOCCC12CCC2	REAL250004653656	0	40	-1.0	-46.80	300.83	3.87	-42.93
O=C(CCCC1=NN=N[N-]1)N1CCOCCC12CCC2	REAL250004653656	1	40	-1.0	-46.83	300.88	3.89	-42.94
CNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653657	0	33	-1.0	-53.81	288.30	-0.36	-54.17
CNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653657	1	33	-1.0	-53.84	288.36	-0.35	-54.19
CNC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004653658	0	33	-1.0	-37.45	297.95	-0.44	-37.89
CNC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004653658	1	33	-1.0	-37.42	298.01	-0.43	-37.85
CC1(C)COC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653659	0	36	-1.0	-47.54	296.91	0.96	-46.58
CC1(C)COC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653659	1	36	-1.0	-47.58	296.97	0.98	-46.60
CC1(C)COC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653660	0	36	-1.0	-36.86	307.50	0.77	-36.09
CC1(C)COC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653660	1	36	-1.0	-36.79	307.57	0.77	-36.02
CC(C)(C)C(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004653661	0	45	-1.0	-48.65	338.64	3.86	-44.79
CC(C)(C)C(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004653661	1	45	-1.0	-48.67	338.70	3.88	-44.79
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CN=CC=C21	REAL250004653662	0	35	-1.0	-46.83	289.06	4.12	-42.71
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CN=CC=C21	REAL250004653662	1	35	-1.0	-46.90	289.11	4.13	-42.77
O=C(CCCC1=N[N-]N=N1)N1CC(CO)OCC12CCC2	REAL250004653663	0	41	-1.0	-48.17	319.22	0.47	-47.70
O=C(CCCC1=NN=N[N-]1)N1CC(CO)OCC12CCC2	REAL250004653663	1	41	-1.0	-48.19	319.28	0.48	-47.71
CC1=NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C=C1	REAL250004653664	0	37	-1.0	-50.68	316.09	4.35	-46.33
CC1=NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C=C1	REAL250004653664	1	37	-1.0	-50.69	316.15	4.36	-46.33
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@]2(CO)CCC[C@@H]12	REAL250004653665	0	43	-1.0	-47.48	324.79	2.44	-45.04
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@]2(CO)CCC[C@@H]12	REAL250004653665	1	43	-1.0	-47.52	324.85	2.46	-45.06
CN1C=C(S(C)(=O)=NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004653666	0	34	-1.0	-57.86	309.12	0.11	-57.75
CN1C=C(S(C)(=O)=NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004653666	1	34	-1.0	-57.93	309.18	0.13	-57.80
CC(CCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004653667	0	34	-1.0	-46.99	300.06	3.39	-43.60
CC(CCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004653667	1	34	-1.0	-46.97	300.12	3.41	-43.56
CC(CC1=CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653668	0	42	-1.0	-46.93	334.75	5.46	-41.47
CC(CC1=CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653668	1	42	-1.0	-46.95	334.80	5.48	-41.47
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004653669	0	35	-1.0	-46.99	302.84	3.05	-43.94
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004653669	1	35	-1.0	-47.01	302.89	3.07	-43.94
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C(C)O1	REAL250004653670	0	35	-1.0	-36.54	313.43	2.84	-33.70
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C(C)O1	REAL250004653670	1	35	-1.0	-36.55	313.50	2.85	-33.70
CCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653671	0	35	-1.0	-49.19	298.13	3.72	-45.47
CCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653671	1	35	-1.0	-49.17	298.07	3.70	-45.47
CCCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004653672	0	35	-1.0	-39.28	308.71	3.53	-35.75
CCCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004653672	1	35	-1.0	-39.32	308.64	3.51	-35.81
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1O	REAL250004653673	0	42	-1.0	-46.94	319.38	2.23	-44.71
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1O	REAL250004653673	1	42	-1.0	-46.93	319.43	2.25	-44.68
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOCC2)CC1	REAL250004653674	0	40	-1.0	-55.29	321.98	3.88	-51.41
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOCC2)CC1	REAL250004653674	1	40	-1.0	-55.31	322.04	3.89	-51.42
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004653675	0	38	-1.0	-47.24	318.25	5.31	-41.93
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004653675	1	38	-1.0	-47.27	318.30	5.33	-41.94
CS(=O)(CCCCC#N)=NC(=O)CCCC1=N[N-]N=N1	REAL250004653676	0	37	-1.0	-68.95	331.18	2.53	-66.42
CS(=O)(CCCCC#N)=NC(=O)CCCC1=NN=N[N-]1	REAL250004653676	1	37	-1.0	-68.95	331.23	2.54	-66.41
CC1(C)COCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653677	0	39	-1.0	-48.34	293.93	3.46	-44.88
CC1(C)COCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653677	1	39	-1.0	-48.35	293.98	3.47	-44.88
O=C(CCCC1=N[N-]N=N1)N1CCCOCC12CCCC2	REAL250004653678	0	43	-1.0	-46.49	314.36	4.63	-41.86
O=C(CCCC1=NN=N[N-]1)N1CCCOCC12CCCC2	REAL250004653678	1	43	-1.0	-46.47	314.42	4.65	-41.82
N#CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653679	0	33	-1.0	-54.19	291.30	5.13	-49.06
N#CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653679	1	33	-1.0	-53.92	291.37	5.15	-48.77
N#CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653680	0	30	-1.0	-39.85	277.14	2.03	-37.82
N#CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653680	1	30	-1.0	-39.83	277.21	2.04	-37.79
O=C(CCCC1=N[N-]N=N1)N(C1CCC1)C1COC1	REAL250004653681	0	37	-1.0	-44.48	279.90	2.58	-41.90
O=C(CCCC1=NN=N[N-]1)N(C1CCC1)C1COC1	REAL250004653681	1	37	-1.0	-44.48	279.95	2.59	-41.89
CN(CC(O)C(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004653682	0	41	-1.0	-46.64	317.56	2.63	-44.01
CN(CC(O)C(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004653682	1	41	-1.0	-46.70	317.61	2.65	-44.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004653683	0	37	-1.0	-57.58	292.04	7.27	-50.31
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004653683	1	37	-1.0	-57.69	291.56	7.26	-50.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004653684	0	34	-1.0	-37.23	280.47	4.97	-32.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004653684	1	34	-1.0	-37.21	280.54	4.97	-32.24
CCC1=CSC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653685	0	37	-1.0	-50.29	328.32	2.74	-47.55
CCC1=CSC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653685	1	37	-1.0	-50.30	328.38	2.76	-47.54
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C2CC1C2	REAL250004653686	0	40	-1.0	-48.72	315.26	6.74	-41.98
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C2CC1C2	REAL250004653686	1	40	-1.0	-48.72	315.31	6.75	-41.97
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC=CCO2	REAL250004653687	0	38	-1.0	-47.92	302.48	3.42	-44.50
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC=CCO2	REAL250004653687	1	38	-1.0	-47.94	302.54	3.43	-44.51
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CS1	REAL250004653688	0	36	-1.0	-48.46	318.42	2.96	-45.50
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CS1	REAL250004653688	1	36	-1.0	-48.45	318.48	2.98	-45.47
COC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653689	0	42	-1.0	-48.58	320.87	2.28	-46.30
COC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653689	1	42	-1.0	-48.61	320.93	2.30	-46.31
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](C(F)(F)F)C1	REAL250004653690	0	32	-1.0	-47.21	284.26	2.91	-44.30
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](C(F)(F)F)C1	REAL250004653690	1	32	-1.0	-47.19	284.32	2.93	-44.26
CC1(C)CC(O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653691	0	39	-1.0	-48.58	297.72	1.41	-47.17
CC1(C)CC(O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653691	1	39	-1.0	-48.61	297.78	1.42	-47.19
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653692	0	36	-1.0	-50.19	305.90	1.75	-48.44
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653692	1	36	-1.0	-50.23	305.96	1.77	-48.46
CC1=C(NC(=O)CCCC2=N[N-]N=N2)NC(=O)C=C1	REAL250004653693	0	32	-1.0	-57.39	274.85	2.12	-55.27
CC1=C(NC(=O)CCCC2=NN=N[N-]2)NC(=O)C=C1	REAL250004653693	1	32	-1.0	-57.38	274.91	2.14	-55.24
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC(=O)C=C1	REAL250004653694	0	32	-1.0	-40.86	284.27	1.94	-38.92
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC(=O)C=C1	REAL250004653694	1	32	-1.0	-40.82	284.34	1.94	-38.88
O=C(CCCC1=N[N-]N=N1)NC1(C2CCOC2)CC1	REAL250004653695	0	37	-1.0	-46.07	296.18	2.08	-43.99
O=C(CCCC1=NN=N[N-]1)NC1(C2CCOC2)CC1	REAL250004653695	1	37	-1.0	-46.11	296.23	2.10	-44.01
COC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004653696	0	38	-1.0	-47.61	323.78	1.00	-46.61
COC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004653696	1	38	-1.0	-47.56	323.72	0.98	-46.58
O=C(CCCC1=N[N-]N=N1)N1CC2(C[C@@H]1CO)OCCO2	REAL250004653697	0	39	-1.0	-51.06	316.30	0.61	-50.45
O=C(CCCC1=NN=N[N-]1)N1CC2(C[C@@H]1CO)OCCO2	REAL250004653697	1	39	-1.0	-51.01	316.36	0.63	-50.38
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004653698	0	39	-1.0	-47.79	324.88	3.98	-43.81
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004653698	1	39	-1.0	-47.80	324.94	3.99	-43.81
CCCOC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653699	0	45	-1.0	-48.53	357.22	3.91	-44.62
CCCOC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653699	1	45	-1.0	-48.56	357.28	3.92	-44.64
O=C(N[C@H](CO)CF)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653700	0	32	-1.0	-57.75	277.46	1.08	-56.67
O=C(N[C@H](CO)CF)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653700	1	32	-1.0	-57.55	277.56	1.11	-56.44
O=C(N[C@H](CO)CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653701	0	29	-1.0	-39.81	263.68	-2.02	-41.83
O=C(N[C@H](CO)CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653701	1	29	-1.0	-39.77	263.75	-2.01	-41.78
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653702	0	35	-1.0	-55.50	298.22	5.54	-49.96
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653702	1	35	-1.0	-55.37	297.90	5.59	-49.78
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653703	0	32	-1.0	-35.93	284.25	2.46	-33.47
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653703	1	32	-1.0	-35.88	284.31	2.48	-33.40
O=C(CCCC1=N[N-]N=N1)N1CCOCCOCC1	REAL250004653704	0	37	-1.0	-46.65	278.80	0.64	-46.01
O=C(CCCC1=NN=N[N-]1)N1CCOCCOCC1	REAL250004653704	1	37	-1.0	-46.64	278.85	0.65	-45.99
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCCC1	REAL250004653705	0	39	-1.0	-46.73	303.17	4.44	-42.29
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCCC1	REAL250004653705	1	39	-1.0	-46.72	303.23	4.46	-42.26
O=C(NC1(C2CC2)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653706	0	39	-1.0	-35.56	313.59	4.21	-31.35
O=C(NC1(C2CC2)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653706	1	39	-1.0	-35.56	313.66	4.22	-31.34
CCOC(=O)C(CCC#N)NC(=O)CCCC1=N[N-]N=N1	REAL250004653707	0	38	-1.0	-46.36	329.58	3.43	-42.93
CCOC(=O)C(CCC#N)NC(=O)CCCC1=NN=N[N-]1	REAL250004653707	1	38	-1.0	-46.39	329.64	3.44	-42.95
O=C(CCCC1=N[N-]N=N1)N1C2CCC1C(O)CCC2O	REAL250004653708	0	41	-1.0	-51.60	309.89	-0.79	-52.39
O=C(CCCC1=NN=N[N-]1)N1C2CCC1C(O)CCC2O	REAL250004653708	1	41	-1.0	-51.62	309.94	-0.78	-52.40
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2[C@@H]1C[C@H](O)[C@@H]2O	REAL250004653709	0	38	-1.0	-51.10	306.25	-1.74	-52.84
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2[C@@H]1C[C@H](O)[C@@H]2O	REAL250004653709	1	38	-1.0	-51.13	306.30	-1.73	-52.86
O=C(CCCC1=NN=N[N-]1)NCC1(N2N=CC=N2)CC1	REAL250004653710	0	35	-1.0	-49.54	306.38	1.27	-48.27
O=C(CCCC1=N[N-]N=N1)NCC1(N2N=CC=N2)CC1	REAL250004653710	1	35	-1.0	-49.52	306.32	1.25	-48.27
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=COC=C1	REAL250004653711	0	35	-1.0	-54.44	303.00	5.20	-49.24
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=COC=C1	REAL250004653711	1	35	-1.0	-54.43	303.48	5.19	-49.24
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=COC=C1	REAL250004653712	0	32	-1.0	-36.67	289.23	2.08	-34.59
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=COC=C1	REAL250004653712	1	32	-1.0	-36.63	289.29	2.09	-34.54
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=COC=C1	REAL250004653713	0	35	-1.0	-54.56	303.01	5.21	-49.35
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=COC=C1	REAL250004653713	1	35	-1.0	-54.36	303.11	5.21	-49.15
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=COC=C1	REAL250004653714	0	32	-1.0	-36.66	289.25	2.08	-34.58
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=COC=C1	REAL250004653714	1	32	-1.0	-36.65	289.32	2.09	-34.56
CCC(NC(=O)CCCC1=N[N-]N=N1)C1COCCO1	REAL250004653715	0	40	-1.0	-47.68	317.29	1.37	-46.31
CCC(NC(=O)CCCC1=NN=N[N-]1)C1COCCO1	REAL250004653715	1	40	-1.0	-47.72	317.35	1.38	-46.34
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1CC2O	REAL250004653716	0	37	-1.0	-47.50	297.31	0.22	-47.28
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1CC2O	REAL250004653716	1	37	-1.0	-47.55	297.36	0.24	-47.31
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CN1C	REAL250004653717	0	35	-1.0	-48.81	298.42	3.39	-45.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CN1C	REAL250004653717	1	35	-1.0	-48.78	298.48	3.40	-45.38
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CN1C	REAL250004653718	0	35	-1.0	-40.59	303.94	3.11	-37.48
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CN1C	REAL250004653718	1	35	-1.0	-40.51	304.01	3.13	-37.38
O=C(CCCC1=N[N-]N=N1)NCC1=NC=C(C(F)F)C=N1	REAL250004653719	0	33	-1.0	-48.88	301.58	1.51	-47.37
O=C(CCCC1=NN=N[N-]1)NCC1=NC=C(C(F)F)C=N1	REAL250004653719	1	33	-1.0	-48.87	301.64	1.52	-47.35
CCCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653720	0	45	-1.0	-48.54	357.04	3.98	-44.56
CCCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653720	1	45	-1.0	-48.54	357.10	3.99	-44.55
O=C(CCCC1=N[N-]N=N1)N1CC=CCC2(CC2)C1	REAL250004653721	0	37	-1.0	-46.94	296.20	5.49	-41.45
O=C(CCCC1=NN=N[N-]1)N1CC=CCC2(CC2)C1	REAL250004653721	1	37	-1.0	-46.96	296.26	5.50	-41.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CCC2(CC2)C1	REAL250004653722	0	37	-1.0	-35.67	302.92	5.90	-29.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CCC2(CC2)C1	REAL250004653722	1	37	-1.0	-35.65	302.99	5.92	-29.73
CN1C=CN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653723	0	35	-1.0	-53.59	303.11	4.70	-48.89
CN1C=CN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653723	1	35	-1.0	-53.40	303.21	4.72	-48.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653724	0	32	-1.0	-39.28	290.19	1.60	-37.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653724	1	32	-1.0	-39.27	290.26	1.61	-37.66
COC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653725	0	35	-1.0	-57.69	307.80	4.02	-53.67
COC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653725	1	35	-1.0	-57.69	307.86	4.04	-53.65
O=C(CCCC1=N[N-]N=N1)NC1CCCC(O)C1	REAL250004653726	0	36	-1.0	-47.36	288.07	0.23	-47.13
O=C(CCCC1=NN=N[N-]1)NC1CCCC(O)C1	REAL250004653726	1	36	-1.0	-47.37	288.13	0.25	-47.12
O=C(NC1CCCC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653727	0	36	-1.0	-36.05	298.66	0.04	-36.01
O=C(NC1CCCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653727	1	36	-1.0	-36.02	298.73	0.05	-35.97
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC(O)C2)C1	REAL250004653728	0	37	-1.0	-50.57	306.26	0.35	-50.22
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC(O)C2)C1	REAL250004653728	1	37	-1.0	-50.58	306.32	0.37	-50.21
COCC1CC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653729	0	37	-1.0	-48.20	303.64	-0.62	-48.82
COCC1CC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653729	1	37	-1.0	-48.24	303.70	-0.61	-48.85
CC1=NOC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653730	0	34	-1.0	-45.97	296.20	2.44	-43.53
CC1=NOC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653730	1	34	-1.0	-45.96	296.25	2.46	-43.50
CC1=NOC(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004653731	0	34	-1.0	-37.84	306.79	2.25	-35.59
CC1=NOC(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004653731	1	34	-1.0	-37.83	306.86	2.26	-35.57
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004653732	0	39	-1.0	-49.98	320.63	6.60	-43.38
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004653732	1	39	-1.0	-50.00	320.68	6.62	-43.38
C#CC1CC2(CCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653733	0	35	-1.0	-53.01	300.98	4.94	-48.07
C#CC1CC2(CCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653733	1	35	-1.0	-53.03	301.03	4.95	-48.08
C#CC1CC2(CCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653734	0	35	-1.0	-37.38	307.93	4.82	-32.56
C#CC1CC2(CCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653734	1	35	-1.0	-37.33	308.00	4.83	-32.50
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CO[C@H]2COC[C@H]21	REAL250004653735	0	35	-1.0	-49.82	287.49	-0.66	-50.48
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CO[C@H]2COC[C@H]21	REAL250004653735	1	35	-1.0	-49.85	287.55	-0.65	-50.50
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCCC21	REAL250004653736	0	39	-1.0	-47.64	301.16	5.15	-42.49
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCCC21	REAL250004653736	1	39	-1.0	-47.68	301.21	5.17	-42.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCCCC21	REAL250004653737	0	39	-1.0	-36.45	308.42	5.28	-31.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCCCC21	REAL250004653737	1	39	-1.0	-36.42	308.49	5.28	-31.14
CC1(C)OCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004653738	0	39	-1.0	-45.52	303.78	2.47	-43.05
CC1(C)OCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004653738	1	39	-1.0	-45.51	303.84	2.49	-43.02
O=C(NC1CCC1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653739	0	33	-1.0	-54.46	280.59	1.69	-52.77
O=C(NC1CCC1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653739	1	33	-1.0	-54.11	281.06	1.68	-52.43
O=C(NC1CCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653740	0	30	-1.0	-37.80	268.08	-1.73	-39.53
O=C(NC1CCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653740	1	30	-1.0	-37.77	268.15	-1.72	-39.49
CC1(C)C[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]1O	REAL250004653741	0	36	-1.0	-45.84	289.86	0.53	-45.31
CC1(C)C[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]1O	REAL250004653741	1	36	-1.0	-45.84	289.92	0.54	-45.30
CC1(C)C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]1O	REAL250004653742	0	36	-1.0	-35.89	304.86	-0.23	-36.12
CC1(C)C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]1O	REAL250004653742	1	36	-1.0	-35.84	304.93	-0.23	-36.07
CC1=CC(F)=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653743	0	34	-1.0	-47.07	297.93	2.40	-44.67
CC1=CC(F)=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653743	1	34	-1.0	-47.08	297.99	2.42	-44.66
CCC(O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004653744	0	38	-1.0	-46.44	307.17	2.45	-43.99
CCC(O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004653744	1	38	-1.0	-46.46	307.23	2.46	-44.00
CCC(O)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653745	0	38	-1.0	-38.09	314.38	2.67	-35.42
CCC(O)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653745	1	38	-1.0	-38.04	314.44	2.66	-35.38
CCN(CCCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004653746	0	38	-1.0	-48.96	311.65	1.71	-47.25
CCN(CCCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004653746	1	38	-1.0	-48.96	311.71	1.73	-47.23
CCN(CCCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653747	0	38	-1.0	-37.55	317.92	2.43	-35.12
CCN(CCCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653747	1	38	-1.0	-37.49	318.00	2.43	-35.06
O=C(CCCC1=N[N-]N=N1)N1CCOCCC1C1CC1	REAL250004653748	0	40	-1.0	-47.69	311.15	4.04	-43.65
O=C(CCCC1=NN=N[N-]1)N1CCOCCC1C1CC1	REAL250004653748	1	40	-1.0	-47.67	311.21	4.05	-43.62
COC12CCC(NC(=O)CCCC3=N[N-]N=N3)(CC1)C2	REAL250004653749	0	40	-1.0	-46.31	315.49	2.13	-44.18
COC12CCC(NC(=O)CCCC3=NN=N[N-]3)(CC1)C2	REAL250004653749	1	40	-1.0	-46.35	315.55	2.14	-44.21
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004653750	0	34	-1.0	-47.74	278.46	3.52	-44.22
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004653750	1	34	-1.0	-47.73	278.52	3.53	-44.20
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1=O	REAL250004653751	0	34	-1.0	-35.54	287.49	3.59	-31.95
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1=O	REAL250004653751	1	34	-1.0	-35.58	287.55	3.59	-31.99
CC1=CSC(CCN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653753	0	37	-1.0	-53.28	325.27	4.08	-49.20
CC1=CSC(CCN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653753	1	37	-1.0	-53.31	325.32	4.09	-49.22
CC(CCC1=CC=CC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653754	0	40	-1.0	-48.03	336.02	4.24	-43.79
CC(CCC1=CC=CC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653754	1	40	-1.0	-48.01	336.08	4.26	-43.75
COCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004653755	0	37	-1.0	-52.23	317.46	1.12	-51.11
COCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004653755	1	37	-1.0	-52.21	317.51	1.13	-51.08
CN1N=CC2=C1CC(NC(=O)CCCC1=N[N-]N=N1)CC2	REAL250004653756	0	39	-1.0	-51.28	321.30	2.92	-48.36
CN1N=CC2=C1CC(NC(=O)CCCC1=NN=N[N-]1)CC2	REAL250004653756	1	39	-1.0	-51.29	321.35	2.94	-48.35
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653757	0	42	-1.0	-46.76	337.26	5.99	-40.77
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653757	1	42	-1.0	-46.80	337.31	6.00	-40.80
CC(C)C1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004653758	0	42	-1.0	-47.02	312.70	3.87	-43.15
CC(C)C1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004653758	1	42	-1.0	-47.07	312.76	3.88	-43.19
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@H](C2=CC=CC=C2)C1	REAL250004653759	0	42	-1.0	-47.23	340.43	6.03	-41.20
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@H](C2=CC=CC=C2)C1	REAL250004653759	1	42	-1.0	-47.21	340.49	6.05	-41.16
CC[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653760	0	41	-1.0	-48.11	332.69	5.86	-42.25
CC[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653760	1	41	-1.0	-48.11	332.74	5.87	-42.24
CN1C(=O)CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2C[C@H]21	REAL250004653761	0	34	-1.0	-49.89	282.41	2.28	-47.61
CN1C(=O)CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2C[C@H]21	REAL250004653761	1	34	-1.0	-49.95	282.47	2.30	-47.65
CN1C(=O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2C[C@H]21	REAL250004653762	0	34	-1.0	-39.07	289.33	2.57	-36.50
CN1C(=O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2C[C@H]21	REAL250004653762	1	34	-1.0	-39.07	289.39	2.57	-36.50
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C12CC2	REAL250004653763	0	34	-1.0	-50.78	280.01	0.77	-50.01
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C12CC2	REAL250004653763	1	34	-1.0	-50.78	280.07	0.79	-49.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)C12CC2	REAL250004653764	0	34	-1.0	-38.12	285.64	1.17	-36.95
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)C12CC2	REAL250004653764	1	34	-1.0	-38.10	285.71	1.17	-36.93
CC1=C2N=C(NC(=O)CCCC3=N[N-]N=N3)NC2=CC=C1	REAL250004653765	0	35	-1.0	-47.59	300.15	5.44	-42.15
CC1=C2N=C(NC(=O)CCCC3=NN=N[N-]3)NC2=CC=C1	REAL250004653765	1	35	-1.0	-47.64	300.21	5.45	-42.19
CC1=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=CC=C1	REAL250004653765	1	35	-1.0	-47.56	300.14	5.44	-42.12
CC1=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=CC=C1	REAL250004653765	1	35	-1.0	-47.61	300.20	5.46	-42.15
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004653766	0	35	-1.0	-50.08	301.01	4.39	-45.69
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004653766	1	35	-1.0	-50.09	301.07	4.40	-45.69
COC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653767	0	37	-1.0	-48.66	300.03	-0.68	-49.34
COC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653767	1	37	-1.0	-48.70	300.08	-0.66	-49.36
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653768	0	45	-1.0	-46.49	330.11	5.57	-40.92
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653768	1	45	-1.0	-46.44	330.16	5.59	-40.85
CCON1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653769	0	41	-1.0	-48.07	333.53	1.90	-46.17
CCON1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653769	1	41	-1.0	-48.16	333.58	1.91	-46.25
CC1=NOC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004653770	0	40	-1.0	-50.30	321.00	3.81	-46.49
CC1=NOC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004653770	1	40	-1.0	-50.32	321.06	3.83	-46.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL250004653771	0	42	-1.0	-46.72	336.63	5.18	-41.54
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL250004653771	1	42	-1.0	-46.72	336.68	5.20	-41.52
CCOC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653772	0	38	-1.0	-46.62	325.17	3.62	-43.00
CCOC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653772	1	38	-1.0	-46.63	325.22	3.64	-42.99
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2COCCN12	REAL250004653773	0	34	-1.0	-54.25	286.89	2.10	-52.15
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2COCCN12	REAL250004653773	1	34	-1.0	-54.27	286.95	2.12	-52.15
CCOC(=O)[C@@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004653774	0	37	-1.0	-47.91	307.63	4.14	-43.77
CCOC(=O)[C@@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004653774	1	37	-1.0	-47.96	307.69	4.16	-43.80
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2)CC1	REAL250004653775	0	39	-1.0	-46.94	312.98	4.46	-42.48
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2)CC1	REAL250004653775	1	39	-1.0	-46.94	313.04	4.47	-42.47
O=C(NC1CCC2(CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653776	0	39	-1.0	-35.05	323.57	4.27	-30.78
O=C(NC1CCC2(CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653776	1	39	-1.0	-35.05	323.64	4.27	-30.78
CC(O)(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004653777	0	36	-1.0	-48.05	297.53	-3.92	-51.97
CC(O)(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004653777	1	36	-1.0	-48.09	297.59	-3.91	-52.00
CC(O)(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653778	0	36	-1.0	-37.66	307.89	-4.12	-41.78
CC(O)(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653778	1	36	-1.0	-37.69	307.96	-4.11	-41.80
O=C(CCCC1=N[N-]N=N1)NC1CCC(=C(F)F)CC1	REAL250004653779	0	36	-1.0	-46.41	304.08	3.76	-42.65
O=C(CCCC1=NN=N[N-]1)NC1CCC(=C(F)F)CC1	REAL250004653779	1	36	-1.0	-46.43	304.13	3.78	-42.65
COC1C(C)(C)CN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004653780	0	45	-1.0	-48.73	344.56	4.62	-44.11
COC1C(C)(C)CN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004653780	1	45	-1.0	-48.71	344.61	4.64	-44.07
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2CC[C@@H](O)[C@H]21	REAL250004653781	0	37	-1.0	-50.12	288.80	2.93	-47.19
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2CC[C@@H](O)[C@H]21	REAL250004653781	1	37	-1.0	-50.12	288.85	2.94	-47.18
CCC(COC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004653782	0	35	-1.0	-44.53	304.09	1.66	-42.87
CCC(COC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004653782	1	35	-1.0	-44.54	304.15	1.68	-42.86
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653783	0	35	-1.0	-54.40	297.78	5.63	-48.77
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653783	1	35	-1.0	-53.84	298.26	5.63	-48.21
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653784	0	32	-1.0	-37.17	284.03	2.52	-34.65
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653784	1	32	-1.0	-37.12	284.10	2.53	-34.59
O=C(CCCC1=N[N-]N=N1)N1CC2CC(O)C(C2)C1	REAL250004653785	0	37	-1.0	-48.50	289.15	1.75	-46.75
O=C(CCCC1=NN=N[N-]1)N1CC2CC(O)C(C2)C1	REAL250004653785	1	37	-1.0	-48.47	289.21	1.76	-46.71
CN(CC1=NNC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653786	0	35	-1.0	-46.84	299.36	4.52	-42.32
CN(CC1=NNC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653786	1	35	-1.0	-46.63	299.45	4.55	-42.08
CN(CC1=NNC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653787	0	32	-1.0	-41.96	284.77	2.39	-39.57
CN(CC1=NNC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653787	1	32	-1.0	-41.90	284.85	2.41	-39.49
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004653788	0	34	-1.0	-49.20	297.55	4.54	-44.66
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004653788	1	34	-1.0	-49.22	297.61	4.56	-44.66
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2(CC1)N=N2	REAL250004653789	0	35	-1.0	-48.42	297.32	0.90	-47.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2(CC1)N=N2	REAL250004653789	1	35	-1.0	-48.22	297.41	0.92	-47.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC1)N=N2	REAL250004653790	0	32	-1.0	-34.34	278.02	-1.55	-35.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC1)N=N2	REAL250004653790	1	32	-1.0	-34.37	278.08	-1.54	-35.91
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC1)N=N2	REAL250004653791	0	35	-1.0	-52.20	283.78	-1.14	-53.34
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC1)N=N2	REAL250004653791	1	35	-1.0	-52.23	283.84	-1.13	-53.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CC1)N=N2	REAL250004653792	0	35	-1.0	-39.44	291.76	-0.46	-39.90
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CC1)N=N2	REAL250004653792	1	35	-1.0	-39.43	291.83	-0.46	-39.89
CC(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653793	0	38	-1.0	-46.30	307.67	3.89	-42.41
CC(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653793	1	38	-1.0	-46.33	307.73	3.91	-42.42
CC(C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653794	0	38	-1.0	-34.99	318.26	3.71	-31.28
CC(C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653794	1	38	-1.0	-34.96	318.33	3.71	-31.25
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)CC12CC2	REAL250004653795	0	40	-1.0	-46.99	314.88	2.08	-44.91
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)CC12CC2	REAL250004653795	1	40	-1.0	-47.04	314.94	2.10	-44.94
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CNC(=O)O2	REAL250004653796	0	35	-1.0	-60.27	299.28	-1.21	-61.48
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CNC(=O)O2	REAL250004653796	1	35	-1.0	-60.30	299.34	-1.19	-61.49
O=C(N[C@@H]1CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653797	0	33	-1.0	-52.54	278.72	2.90	-49.64
O=C(N[C@@H]1CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653797	1	33	-1.0	-52.38	278.79	2.93	-49.45
O=C(N[C@@H]1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653798	0	30	-1.0	-35.65	264.59	-0.20	-35.85
O=C(N[C@@H]1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653798	1	30	-1.0	-35.60	264.65	-0.18	-35.78
COC(=O)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653800	0	41	-1.0	-52.91	340.00	5.01	-47.90
COC(=O)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653800	1	41	-1.0	-52.91	340.05	5.02	-47.89
CC1=NN(C)C(C(F)F)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653802	0	35	-1.0	-52.19	306.44	2.53	-49.66
CC1=NN(C)C(C(F)F)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653802	1	35	-1.0	-52.23	306.49	2.55	-49.68
O=C(CCCC1=N[N-]N=N1)NC1=CC(N2C=CC=N2)=CC=N1	REAL250004653803	0	35	-1.0	-53.80	308.05	4.25	-49.55
O=C(CCCC1=NN=N[N-]1)NC1=CC(N2C=CC=N2)=CC=N1	REAL250004653803	1	35	-1.0	-53.80	308.10	4.26	-49.54
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004653804	0	39	-1.0	-50.65	331.68	2.15	-48.50
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004653804	1	39	-1.0	-50.67	331.74	2.16	-48.51
O=C(CCCC1=N[N-]N=N1)NC1COC2(C1)CCCCC2	REAL250004653805	0	43	-1.0	-47.19	334.05	3.36	-43.83
O=C(CCCC1=NN=N[N-]1)NC1COC2(C1)CCCCC2	REAL250004653805	1	43	-1.0	-47.20	334.11	3.37	-43.83
O=C(CCCC1=N[N-]N=N1)NC1(CO)CC2(CCC2)C1	REAL250004653806	0	40	-1.0	-46.80	320.07	0.78	-46.02
O=C(CCCC1=NN=N[N-]1)NC1(CO)CC2(CCC2)C1	REAL250004653806	1	40	-1.0	-46.85	320.13	0.80	-46.05
O=C(CCCC1=N[N-]N=N1)N1CC2=C(C1)C(=O)NC(=O)N2	REAL250004653807	0	33	-1.0	-49.20	291.35	-0.85	-50.05
O=C(CCCC1=NN=N[N-]1)N1CC2=C(C1)C(=O)NC(=O)N2	REAL250004653807	1	33	-1.0	-49.23	291.41	-0.83	-50.06
O=C(CCCC1=N[N-]N=N1)N1CCCC1COC(F)F	REAL250004653808	0	36	-1.0	-50.25	303.98	3.13	-47.12
O=C(CCCC1=NN=N[N-]1)N1CCCC1COC(F)F	REAL250004653808	1	36	-1.0	-50.24	304.04	3.15	-47.09
N#CC1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653809	0	36	-1.0	-55.08	307.30	5.75	-49.33
N#CC1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653809	1	36	-1.0	-54.86	307.39	5.77	-49.09
N#CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653810	0	33	-1.0	-39.49	293.94	2.75	-36.74
N#CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653810	1	33	-1.0	-39.46	294.00	2.75	-36.71
CNC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004653811	0	37	-1.0	-47.06	314.10	2.28	-44.78
CNC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004653811	1	37	-1.0	-47.07	314.16	2.29	-44.78
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2OCC[C@@H]21	REAL250004653812	0	37	-1.0	-45.13	284.68	2.58	-42.55
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2OCC[C@@H]21	REAL250004653812	1	37	-1.0	-45.15	284.74	2.59	-42.56
O=C(NCC1=NNN=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653813	0	31	-1.0	-52.03	277.26	1.47	-50.56
O=C(NCC1=NNN=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653813	1	31	-1.0	-51.82	277.36	1.49	-50.33
O=C(NCC1=NNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653814	0	28	-1.0	-37.55	263.48	-1.65	-39.20
O=C(NCC1=NNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653814	1	28	-1.0	-37.54	263.55	-1.64	-39.18
CC(F)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653815	0	35	-1.0	-47.86	301.09	4.81	-43.05
CC(F)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653815	1	35	-1.0	-47.86	301.15	4.82	-43.04
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CO	REAL250004653816	0	34	-1.0	-45.95	270.73	-0.14	-46.09
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CO	REAL250004653816	1	34	-1.0	-45.95	270.78	-0.13	-46.08
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1CO	REAL250004653817	0	34	-1.0	-36.05	277.97	0.20	-35.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1CO	REAL250004653817	1	34	-1.0	-36.04	278.03	0.20	-35.84
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004653818	0	47	-1.0	-45.57	342.52	5.62	-39.95
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004653818	1	47	-1.0	-45.55	342.57	5.63	-39.92
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCOCC2C1	REAL250004653819	0	38	-1.0	-48.85	305.60	1.03	-47.82
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCOCC2C1	REAL250004653819	1	38	-1.0	-48.88	305.66	1.04	-47.84
CC1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004653820	0	37	-1.0	-50.14	316.00	4.40	-45.74
CC1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004653820	1	37	-1.0	-50.12	315.94	4.39	-45.73
[N-]=[N+]=NCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653821	0	33	-1.0	-52.34	295.56	0.76	-51.58
[N-]=[N+]=NCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653821	1	33	-1.0	-52.16	295.62	0.78	-51.38
[N-]=[N+]=NCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653822	0	30	-1.0	-36.39	281.40	-2.33	-38.72
[N-]=[N+]=NCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653822	1	30	-1.0	-36.30	281.47	-2.32	-38.62
[N-]=[N+]=NCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653823	0	39	-1.0	-48.46	335.30	0.22	-48.24
[N-]=[N+]=NCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653823	1	39	-1.0	-48.47	335.36	0.23	-48.24
[N-]=[N+]=NCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653824	0	33	-1.0	-48.83	292.31	-1.34	-50.17
[N-]=[N+]=NCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653824	1	33	-1.0	-48.85	292.37	-1.33	-50.18
[N-]=[N+]=NCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653825	0	33	-1.0	-36.71	302.90	-1.55	-38.26
[N-]=[N+]=NCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653825	1	33	-1.0	-36.71	302.97	-1.54	-38.25
[N-]=[N+]=NCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653826	0	36	-1.0	-47.72	313.81	-0.56	-48.28
[N-]=[N+]=NCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653826	1	36	-1.0	-47.74	313.86	-0.55	-48.29
[N-]=[N+]=NCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653827	0	30	-1.0	-54.14	274.06	0.00	-54.14
[N-]=[N+]=NCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653827	1	30	-1.0	-53.94	274.13	0.02	-53.92
[N-]=[N+]=NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653828	0	27	-1.0	-35.68	259.90	-3.09	-38.77
[N-]=[N+]=NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653828	1	27	-1.0	-35.64	259.97	-3.08	-38.72
[N-]=[N+]=NCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004653829	0	34	-1.0	-50.14	304.69	-2.79	-52.93
[N-]=[N+]=NCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004653829	1	34	-1.0	-50.16	304.75	-2.77	-52.93
[N-]=[N+]=NC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653830	0	34	-1.0	-45.79	306.62	1.18	-44.61
[N-]=[N+]=NC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653830	1	34	-1.0	-45.85	306.68	1.20	-44.65
C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653831	0	33	-1.0	-54.99	293.89	0.99	-54.00
C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653831	1	33	-1.0	-54.38	294.38	0.96	-53.42
C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653832	0	30	-1.0	-37.72	280.15	-2.15	-39.87
C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653832	1	30	-1.0	-37.69	280.22	-2.14	-39.83
C[C@@H](CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)N=[N+]=[N-]	REAL250004653833	0	33	-1.0	-50.75	293.60	0.95	-49.80
C[C@@H](CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)N=[N+]=[N-]	REAL250004653833	1	33	-1.0	-50.55	293.70	0.95	-49.60
C[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N=[N+]=[N-]	REAL250004653834	0	30	-1.0	-36.41	279.87	-2.17	-38.58
C[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N=[N+]=[N-]	REAL250004653834	1	30	-1.0	-36.41	279.94	-2.17	-38.58
C[C@H](CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)N=[N+]=[N-]	REAL250004653835	0	33	-1.0	-50.75	293.65	0.92	-49.83
C[C@H](CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)N=[N+]=[N-]	REAL250004653835	1	33	-1.0	-50.56	293.75	0.95	-49.61
C[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N=[N+]=[N-]	REAL250004653836	0	30	-1.0	-36.42	279.87	-2.17	-38.59
C[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N=[N+]=[N-]	REAL250004653836	1	30	-1.0	-36.40	279.94	-2.17	-38.57
CC(C)(CN=[N+]=[N-])CNC(=O)CCCC1=N[N-]N=N1	REAL250004653837	0	36	-1.0	-45.86	304.32	-0.46	-46.32
CC(C)(CN=[N+]=[N-])CNC(=O)CCCC1=NN=N[N-]1	REAL250004653837	1	36	-1.0	-45.88	304.37	-0.45	-46.33
[N-]=[N+]=NC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004653838	0	34	-1.0	-45.71	306.62	1.18	-44.53
[N-]=[N+]=NC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004653838	1	34	-1.0	-45.73	306.68	1.20	-44.53
C[C@H](CN=[N+]=[N-])NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004653839	0	33	-1.0	-52.77	293.94	0.96	-51.81
C[C@H](CN=[N+]=[N-])NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004653839	1	33	-1.0	-52.56	294.04	0.98	-51.58
C[C@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653840	0	30	-1.0	-37.71	280.15	-2.15	-39.86
C[C@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653840	1	30	-1.0	-37.66	280.22	-2.14	-39.80
[N-]=[N+]=N[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004653841	0	37	-1.0	-47.12	308.47	-0.01	-47.13
[N-]=[N+]=N[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004653841	1	37	-1.0	-47.13	308.53	0.00	-47.13
[N-]=[N+]=NC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004653842	0	34	-1.0	-47.21	305.59	1.24	-45.97
[N-]=[N+]=NC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004653842	1	34	-1.0	-47.22	305.65	1.25	-45.97
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653843	0	31	-1.0	-50.34	276.13	-1.46	-51.80
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653843	1	31	-1.0	-50.33	276.19	-1.44	-51.77
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL250004653844	0	34	-1.0	-57.13	300.45	1.47	-55.66
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL250004653844	1	34	-1.0	-56.86	300.55	1.47	-55.39
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004653845	0	31	-1.0	-36.95	286.72	-1.66	-38.61
[N-]=[N+]=N[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004653845	1	31	-1.0	-36.93	286.79	-1.66	-38.59
[N-]=[N+]=NC1CC2CCC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004653846	0	38	-1.0	-48.10	313.55	0.08	-48.02
[N-]=[N+]=NC1CC2CCC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004653846	1	38	-1.0	-48.13	313.60	0.10	-48.03
O=C(CCCC1=N[N-]N=N1)N1CC2CC(F)(C2)C1	REAL250004653847	0	33	-1.0	-49.29	270.22	4.58	-44.71
O=C(CCCC1=NN=N[N-]1)N1CC2CC(F)(C2)C1	REAL250004653847	1	33	-1.0	-49.28	270.28	4.59	-44.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC(F)(C2)C1	REAL250004653848	0	33	-1.0	-36.53	277.86	4.92	-31.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC(F)(C2)C1	REAL250004653848	1	33	-1.0	-36.51	277.94	4.94	-31.57
COCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004653849	1	34	-1.0	-55.76	311.62	1.31	-54.45
CC(C)C1=C(C#N)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004653850	0	36	-1.0	-50.26	318.89	3.25	-47.01
CC(C)C1=C(C#N)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004653850	1	36	-1.0	-50.31	318.95	3.26	-47.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H]2C[C@@H]1CO2	REAL250004653851	0	34	-1.0	-54.36	277.51	4.22	-50.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@H]2C[C@@H]1CO2	REAL250004653851	1	34	-1.0	-55.28	277.00	4.21	-51.07
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2C[C@@H]1CO2	REAL250004653852	0	31	-1.0	-37.54	265.65	1.90	-35.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2C[C@@H]1CO2	REAL250004653852	1	31	-1.0	-37.51	265.71	1.91	-35.60
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)N2)CC1	REAL250004653853	0	39	-1.0	-52.89	309.45	-0.26	-53.15
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)N2)CC1	REAL250004653853	1	39	-1.0	-52.91	309.51	-0.25	-53.16
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CO1)C(F)F	REAL250004653854	0	32	-1.0	-45.43	292.29	2.66	-42.77
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CO1)C(F)F	REAL250004653854	1	32	-1.0	-45.42	292.35	2.67	-42.75
CCOC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004653855	0	41	-1.0	-53.78	338.15	4.14	-49.64
CCOC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004653855	1	41	-1.0	-53.85	338.20	4.16	-49.69
O=C(CCCC1=N[N-]N=N1)NC1(CO)CCCC2CC21	REAL250004653856	0	40	-1.0	-46.55	309.28	1.48	-45.07
O=C(CCCC1=NN=N[N-]1)NC1(CO)CCCC2CC21	REAL250004653856	1	40	-1.0	-46.57	309.34	1.50	-45.07
CC(C)(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653857	0	39	-1.0	-47.07	308.93	1.71	-45.36
CC(C)(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653857	1	39	-1.0	-47.08	308.98	1.73	-45.35
CC(C)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653858	0	38	-1.0	-49.23	317.93	4.50	-44.73
CC(C)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653858	1	38	-1.0	-49.21	317.88	4.48	-44.73
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1F	REAL250004653859	0	38	-1.0	-49.57	315.98	4.32	-45.25
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1F	REAL250004653859	1	38	-1.0	-49.56	316.04	4.33	-45.23
CC(=O)NCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653860	0	39	-1.0	-54.69	324.59	1.83	-52.86
CC(=O)NCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653860	1	39	-1.0	-54.66	324.65	1.85	-52.81
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2OCCO[C@H]2C1	REAL250004653861	0	35	-1.0	-50.19	283.37	1.22	-48.97
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2OCCO[C@H]2C1	REAL250004653861	1	35	-1.0	-50.19	283.43	1.23	-48.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCF)=C1	REAL250004653862	0	35	-1.0	-48.22	302.77	4.93	-43.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCF)=C1	REAL250004653862	1	35	-1.0	-48.22	302.82	4.94	-43.28
CC(C)(C)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004653863	0	38	-1.0	-49.14	315.04	4.09	-45.05
CC(C)(C)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004653863	1	38	-1.0	-49.19	314.99	4.08	-45.11
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=NN=N[N-]1	REAL250004653864	0	22	-1.0	-42.29	238.19	4.60	-37.69
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=N[N-]N=N1	REAL250004653864	1	22	-1.0	-42.69	238.63	4.63	-38.06
FC(F)(F)C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653865	0	19	-1.0	-37.06	221.73	3.78	-33.28
FC(F)(F)C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653865	1	19	-1.0	-37.24	222.57	3.64	-33.60
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653866	0	21	-1.0	-41.04	227.35	4.26	-36.78
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653866	1	21	-1.0	-41.42	227.79	4.28	-37.14
CC(=O)C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653867	0	24	-1.0	-51.39	241.60	4.08	-47.31
CC(=O)C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653867	1	24	-1.0	-51.84	242.03	4.08	-47.76
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=NN=N[N-]1	REAL250004653868	0	22	-1.0	-42.29	238.19	4.60	-37.69
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=N[N-]N=N1	REAL250004653868	1	22	-1.0	-42.69	238.63	4.63	-38.06
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653869	0	19	-1.0	-35.16	220.00	4.44	-30.72
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653869	1	19	-1.0	-35.44	220.55	4.47	-30.97
CC1=NC(SC2=NN=N[N-]2)=C2C3=C(CCC3)SC2=N1	REAL250004653870	0	28	-1.0	-43.15	264.58	5.23	-37.92
CC1=NC(SC2=N[N-]N=N2)=C2C3=C(CCC3)SC2=N1	REAL250004653870	1	28	-1.0	-43.16	264.49	5.24	-37.92
C1=NC(SC2=NN=N[N-]2)=C2C3=C(CCCC3)SC2=N1	REAL250004653871	0	28	-1.0	-42.51	256.88	5.64	-36.87
C1=NC(SC2=N[N-]N=N2)=C2C3=C(CCCC3)SC2=N1	REAL250004653871	1	28	-1.0	-42.46	256.79	5.64	-36.82
CC1=C(C)C2=C(SC3=NN=N[N-]3)N=CN=C2S1	REAL250004653872	0	24	-1.0	-43.18	233.16	4.43	-38.75
CC1=C(C)C2=C(SC3=N[N-]N=N3)N=CN=C2S1	REAL250004653872	1	24	-1.0	-43.18	233.07	4.44	-38.74
C1=NC(SC2=NN=N[N-]2)=C2C3=C(CCC3)SC2=N1	REAL250004653873	0	25	-1.0	-42.41	242.81	5.30	-37.11
C1=NC(SC2=N[N-]N=N2)=C2C3=C(CCC3)SC2=N1	REAL250004653873	1	25	-1.0	-42.41	242.73	5.31	-37.10
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C2=CC=NC=C21	REAL250004653874	0	24	-1.0	-36.38	240.93	4.29	-32.09
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C2=CC=NC=C21	REAL250004653874	1	24	-1.0	-36.60	241.28	4.28	-32.32
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2SC1=NN=N[N-]1	REAL250004653875	0	28	-1.0	-46.57	270.70	7.84	-38.73
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2SC1=N[N-]N=N1	REAL250004653875	1	28	-1.0	-46.57	270.59	7.82	-38.75
FC(F)(F)C1=CC=C(SC2=NN=N[N-]2)N=C1Cl	REAL250004653876	0	19	-1.0	-41.91	219.71	3.64	-38.27
FC(F)(F)C1=CC=C(SC2=N[N-]N=N2)N=C1Cl	REAL250004653876	1	19	-1.0	-42.04	220.55	3.49	-38.55
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)N=C2C=CC=CN21	REAL250004653877	0	22	-1.0	-48.24	234.66	5.72	-42.52
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)N=C2C=CC=CN21	REAL250004653877	1	22	-1.0	-48.15	234.55	5.72	-42.43
CC1=NN2C(=C1)N=C(SC1=NN=N[N-]1)C1=CC=CC=C12	REAL250004653878	0	28	-1.0	-49.25	261.74	5.68	-43.57
CC1=NN2C(=C1)N=C(SC1=N[N-]N=N1)C1=CC=CC=C12	REAL250004653878	1	28	-1.0	-49.25	261.64	5.69	-43.56
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)N=C2SC=CN21	REAL250004653879	0	19	-1.0	-46.23	223.77	4.92	-41.31
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)N=C2SC=CN21	REAL250004653879	1	19	-1.0	-46.20	223.66	4.94	-41.26
CN1C(=O)C(C#N)=C(SC2=NN=N[N-]2)N(C)C1=O	REAL250004653880	0	24	-1.0	-33.48	237.30	1.34	-32.14
CN1C(=O)C(C#N)=C(SC2=N[N-]N=N2)N(C)C1=O	REAL250004653880	1	24	-1.0	-33.49	237.20	1.34	-32.15
CN(C)C1=CC(C(F)(F)F)=NC(SC2=NN=N[N-]2)=N1	REAL250004653881	0	26	-1.0	-43.13	255.97	4.12	-39.01
CN(C)C1=CC(C(F)(F)F)=NC(SC2=N[N-]N=N2)=N1	REAL250004653881	1	26	-1.0	-43.11	255.87	4.11	-39.00
FC(F)(F)C1=NN=C2C=CC(SC3=NN=N[N-]3)=NN21	REAL250004653882	0	21	-1.0	-44.40	230.95	3.47	-40.93
FC(F)(F)C1=NN=C2C=CC(SC3=N[N-]N=N3)=NN21	REAL250004653882	1	21	-1.0	-44.52	231.78	3.38	-41.14
CC1=CC(=O)N2N=C(SC3=NN=N[N-]3)SC2=N1	REAL250004653883	0	21	-1.0	-49.75	228.49	1.73	-48.02
CC1=CC(=O)N2N=C(SC3=N[N-]N=N3)SC2=N1	REAL250004653883	1	21	-1.0	-49.79	228.39	1.73	-48.06
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004653884	0	24	-1.0	-41.89	242.55	4.41	-37.48
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004653884	1	24	-1.0	-42.19	242.91	4.41	-37.78
CCC1=CC2=C(SC3=NN=N[N-]3)N=CN=C2S1	REAL250004653885	0	24	-1.0	-40.79	242.38	4.95	-35.84
CCC1=CC2=C(SC3=N[N-]N=N3)N=CN=C2S1	REAL250004653885	1	24	-1.0	-40.84	242.29	4.95	-35.89
CC1=CC(C(F)(F)F)=C(SC2=NN=N[N-]2)N=N1	REAL250004653886	0	21	-1.0	-44.69	219.57	2.49	-42.20
CC1=CC(C(F)(F)F)=C(SC2=N[N-]N=N2)N=N1	REAL250004653886	1	21	-1.0	-44.88	220.42	2.40	-42.48
NC(=O)C1=CC([N+](=O)[O-])=CN=C1SC1=NN=N[N-]1	REAL250004653887	0	22	-1.0	-44.62	226.10	-0.21	-44.83
NC(=O)C1=CC([N+](=O)[O-])=CN=C1SC1=N[N-]N=N1	REAL250004653887	1	22	-1.0	-44.62	226.01	-0.21	-44.83
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=NN=N[N-]1	REAL250004653888	0	22	-1.0	-42.29	238.19	4.60	-37.69
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=N[N-]N=N1	REAL250004653888	1	22	-1.0	-42.69	238.63	4.63	-38.06
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)C=CC2=NC=CC=C21	REAL250004653889	0	24	-1.0	-47.34	246.20	4.54	-42.80
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)C=CC2=NC=CC=C21	REAL250004653889	1	24	-1.0	-47.61	247.08	4.58	-43.03
O=C1CCC2=CC([N+](=O)[O-])=C(SC3=NN=N[N-]3)C=C2N1	REAL250004653890	0	27	-1.0	-47.72	258.95	2.78	-44.94
O=C1CCC2=CC([N+](=O)[O-])=C(SC3=N[N-]N=N3)C=C2N1	REAL250004653890	1	27	-1.0	-48.23	259.39	2.79	-45.44
O=S(=O)(C1=CC=C(SC2=NN=N[N-]2)C=C1)C(F)F	REAL250004653891	0	23	-1.0	-42.07	250.86	1.27	-40.80
O=S(=O)(C1=CC=C(SC2=N[N-]N=N2)C=C1)C(F)F	REAL250004653891	1	23	-1.0	-42.35	251.21	1.27	-41.08
CCCC1=NC2=NC=NN2C(SC2=NN=N[N-]2)=C1	REAL250004653892	0	27	-1.0	-46.54	257.05	6.60	-39.94
CCCC1=NC2=NC=NN2C(SC2=N[N-]N=N2)=C1	REAL250004653892	1	27	-1.0	-46.57	256.95	6.60	-39.97
FC(F)(F)C1=NC2=NC=NN2C(SC2=NN=N[N-]2)=C1	REAL250004653893	0	21	-1.0	-39.56	234.42	5.30	-34.26
FC(F)(F)C1=NC2=NC=NN2C(SC2=N[N-]N=N2)=C1	REAL250004653893	1	21	-1.0	-39.52	234.32	5.30	-34.22
COC(=O)C1=C(Cl)N=C(SC2=NN=N[N-]2)S1	REAL250004653894	0	19	-1.0	-40.63	227.53	2.21	-38.42
COC(=O)C1=C(Cl)N=C(SC2=N[N-]N=N2)S1	REAL250004653894	1	19	-1.0	-40.58	227.42	2.22	-38.36
NC(=O)C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653895	0	20	-1.0	-39.92	217.13	-0.43	-40.35
NC(=O)C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653895	1	20	-1.0	-39.91	217.03	-0.45	-40.36
CC(C)C1=NC2=NC=NN2C(SC2=NN=N[N-]2)=C1	REAL250004653896	0	27	-1.0	-45.82	255.35	6.37	-39.45
CC(C)C1=NC2=NC=NN2C(SC2=N[N-]N=N2)=C1	REAL250004653896	1	27	-1.0	-45.83	255.24	6.38	-39.45
CC1=CC(SC2=NN=N[N-]2)=NC(C2=CC=CN=C2)=N1	REAL250004653897	0	27	-1.0	-42.81	254.90	4.32	-38.49
CC1=CC(SC2=N[N-]N=N2)=NC(C2=CC=CN=C2)=N1	REAL250004653897	1	27	-1.0	-42.83	254.85	4.31	-38.52
C1=CC=C(C2=NN=C3C=CC(SC4=NN=N[N-]4)=NN32)C=C1	REAL250004653898	0	28	-1.0	-44.26	262.34	6.38	-37.88
C1=CC=C(C2=NN=C3C=CC(SC4=N[N-]N=N4)=NN32)C=C1	REAL250004653898	1	28	-1.0	-44.58	263.93	6.30	-38.28
O=[N+]([O-])C1=CC(F)=C(SC2=NN=N[N-]2)C(F)=C1	REAL250004653899	0	19	-1.0	-34.70	216.70	4.12	-30.58
O=[N+]([O-])C1=CC(F)=C(SC2=N[N-]N=N2)C(F)=C1	REAL250004653899	1	19	-1.0	-35.05	217.05	4.11	-30.94
CNC(=O)C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653900	0	26	-1.0	-51.75	255.34	1.85	-49.90
CNC(=O)C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653900	1	26	-1.0	-52.16	255.78	1.87	-50.29
CSC1=NC2=NC=NC(SC3=NN=N[N-]3)=C2S1	REAL250004653901	0	21	-1.0	-40.19	237.52	3.68	-36.51
CSC1=NC2=NC=NC(SC3=N[N-]N=N3)=C2S1	REAL250004653901	1	21	-1.0	-40.19	237.43	3.68	-36.51
C1=CC=C(C2=NSC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004653902	0	22	-1.0	-34.26	230.64	3.97	-30.29
C1=CC=C(C2=NSC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004653902	1	22	-1.0	-34.25	230.55	3.96	-30.29
CC(C)C1=CC(C(F)(F)F)=C(SC2=NN=N[N-]2)N=N1	REAL250004653903	0	27	-1.0	-43.64	258.20	3.70	-39.94
CC(C)C1=CC(C(F)(F)F)=C(SC2=N[N-]N=N2)N=N1	REAL250004653903	1	27	-1.0	-43.69	259.04	3.61	-40.08
O=[N+]([O-])C1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004653904	0	21	-1.0	-36.93	233.74	4.12	-32.81
O=[N+]([O-])C1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004653904	1	21	-1.0	-36.92	233.64	4.11	-32.81
CN1N=CC2=C1N=C(SC1=NN=N[N-]1)NC2=O	REAL250004653905	0	22	-1.0	-36.46	221.56	1.03	-35.43
CN1N=CC2=C1N=C(SC1=N[N-]N=N1)NC2=O	REAL250004653905	1	22	-1.0	-36.47	221.48	1.03	-35.44
C1=CC=C(C2=NC=CC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004653906	0	25	-1.0	-45.59	238.16	5.49	-40.10
C1=CC=C(C2=NC=CC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004653906	1	25	-1.0	-45.57	238.11	5.49	-40.08
CC1=CC(SC2=NN=N[N-]2)=NC(C2=CC=CC=N2)=N1	REAL250004653907	0	27	-1.0	-46.28	255.62	4.24	-42.04
CC1=CC(SC2=N[N-]N=N2)=NC(C2=CC=CC=N2)=N1	REAL250004653907	1	27	-1.0	-46.28	255.57	4.24	-42.04
C1=CN=CC(C2=NC3=C(CCC3)C(SC3=NN=N[N-]3)=N2)=C1	REAL250004653908	0	31	-1.0	-44.89	278.36	5.53	-39.36
C1=CN=CC(C2=NC3=C(CCC3)C(SC3=N[N-]N=N3)=N2)=C1	REAL250004653908	1	31	-1.0	-44.89	278.32	5.53	-39.36
FC(F)C1=NC2=CC=CC=C2C(SC2=NN=N[N-]2)=N1	REAL250004653909	0	24	-1.0	-46.33	240.81	4.48	-41.85
FC(F)C1=NC2=CC=CC=C2C(SC2=N[N-]N=N2)=N1	REAL250004653909	1	24	-1.0	-46.33	240.72	4.47	-41.86
CCC1=CC(SC2=NN=N[N-]2)=NC(C2=CC=NC=C2)=N1	REAL250004653910	0	30	-1.0	-43.19	275.94	5.11	-38.08
CCC1=CC(SC2=N[N-]N=N2)=NC(C2=CC=NC=C2)=N1	REAL250004653910	1	30	-1.0	-43.15	275.89	5.11	-38.04
BrC1=CN=C(SC2=NN=N[N-]2)N=C1	REAL250004653911	0	15	-1.0	-37.54	183.77	2.06	-35.48
BrC1=CN=C(SC2=N[N-]N=N2)N=C1	REAL250004653911	1	15	-1.0	-37.51	183.67	2.04	-35.47
O=C(NC1=CC=CC=C1)C1=CC=C(SC2=NN=N[N-]2)N=N1	REAL250004653912	0	29	-1.0	-43.80	276.83	2.96	-40.84
O=C(NC1=CC=CC=C1)C1=CC=C(SC2=N[N-]N=N2)N=N1	REAL250004653912	1	29	-1.0	-43.77	276.73	2.96	-40.81
C1=CC=C(C2=NC3=C(CCC3)C(SC3=NN=N[N-]3)=N2)N=C1	REAL250004653913	0	31	-1.0	-48.64	279.09	5.46	-43.18
C1=CC=C(C2=NC3=C(CCC3)C(SC3=N[N-]N=N3)=N2)N=C1	REAL250004653913	1	31	-1.0	-48.66	279.04	5.46	-43.20
CC1=NC(C2=CC=NC=C2)=NC(SC2=NN=N[N-]2)=C1C	REAL250004653914	0	30	-1.0	-45.64	269.70	4.78	-40.86
CC1=NC(C2=CC=NC=C2)=NC(SC2=N[N-]N=N2)=C1C	REAL250004653914	1	30	-1.0	-45.63	269.65	4.77	-40.86
CCNS(=O)(=O)C1=CC=C(SC2=NN=N[N-]2)N=C1	REAL250004653915	0	27	-1.0	-45.74	265.36	-0.67	-46.41
CCNS(=O)(=O)C1=CC=C(SC2=N[N-]N=N2)N=C1	REAL250004653915	1	27	-1.0	-45.90	266.20	-0.81	-46.71
FC1=CC2=NC=C(SC3=NN=N[N-]3)N=C2C=C1F	REAL250004653916	0	21	-1.0	-38.70	221.57	2.66	-36.04
FC1=CC2=NC=C(SC3=N[N-]N=N3)N=C2C=C1F	REAL250004653916	1	21	-1.0	-38.81	222.41	2.53	-36.28
N#CC1=CC(SC2=NN=N[N-]2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL250004653917	0	25	-1.0	-36.45	261.61	5.47	-30.98
N#CC1=CC(SC2=N[N-]N=N2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL250004653917	1	25	-1.0	-36.65	262.44	5.33	-31.32
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C=C1OC(F)F	REAL250004653918	0	23	-1.0	-38.43	242.24	4.37	-34.06
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C=C1OC(F)F	REAL250004653918	1	23	-1.0	-39.27	242.59	4.37	-34.90
FC1=CC2=NC=NC(SC3=NN=N[N-]3)=C2C=C1F	REAL250004653919	0	21	-1.0	-36.22	219.35	4.31	-31.91
FC1=CC2=NC=NC(SC3=N[N-]N=N3)=C2C=C1F	REAL250004653919	1	21	-1.0	-36.18	219.26	4.30	-31.88
CCOC(=O)C1=CC=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004653920	0	27	-1.0	-44.05	271.26	5.22	-38.83
CCOC(=O)C1=CC=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004653920	1	27	-1.0	-44.44	272.10	5.08	-39.36
N#CC1=C(SC2=NN=N[N-]2)C2=CC=CC=C2N=N1	REAL250004653921	0	22	-1.0	-42.16	230.69	2.78	-39.38
N#CC1=C(SC2=N[N-]N=N2)C2=CC=CC=C2N=N1	REAL250004653921	1	22	-1.0	-42.14	230.59	2.78	-39.36
CC1=NC(C2=CC=CN=C2)=NC(SC2=NN=N[N-]2)=C1C	REAL250004653922	0	30	-1.0	-44.77	270.18	4.79	-39.98
CC1=NC(C2=CC=CN=C2)=NC(SC2=N[N-]N=N2)=C1C	REAL250004653922	1	30	-1.0	-44.70	270.14	4.78	-39.92
COC1=CC(F)=C([N+](=O)[O-])C(SC2=NN=N[N-]2)=C1	REAL250004653923	0	23	-1.0	-45.59	242.11	3.49	-42.10
COC1=CC(F)=C([N+](=O)[O-])C(SC2=N[N-]N=N2)=C1	REAL250004653923	1	23	-1.0	-45.88	242.79	3.51	-42.37
O=[N+]([O-])C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653924	0	18	-1.0	-35.28	210.97	3.44	-31.84
O=[N+]([O-])C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653924	1	18	-1.0	-35.40	211.80	3.30	-32.10
O=[N+]([O-])C1=CC2=C(SC3=NN=N[N-]3)N=CN=C2C=C1	REAL250004653925	0	23	-1.0	-38.30	234.75	4.85	-33.45
O=[N+]([O-])C1=CC2=C(SC3=N[N-]N=N3)N=CN=C2C=C1	REAL250004653925	1	23	-1.0	-38.25	234.66	4.84	-33.41
C1=CC=C(C2=NN=C3C=C(SC4=NN=N[N-]4)N=CN32)C=C1	REAL250004653926	0	28	-1.0	-40.01	264.18	7.65	-32.36
C1=CC=C(C2=NN=C3C=C(SC4=N[N-]N=N4)N=CN32)C=C1	REAL250004653926	1	28	-1.0	-40.24	265.04	7.50	-32.74
CCOC1=CC(SC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004653927	0	26	-1.0	-36.23	254.34	5.01	-31.22
CCOC1=CC(SC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004653927	1	26	-1.0	-36.55	254.69	5.01	-31.54
CCC1=NN=C(SC2=NN=N[N-]2)C(C#N)=C1CC	REAL250004653929	0	28	-1.0	-44.13	260.28	3.71	-40.42
CCC1=NN=C(SC2=N[N-]N=N2)C(C#N)=C1CC	REAL250004653929	1	28	-1.0	-44.12	260.18	3.71	-40.41
BrC1=CN=CN=C1SC1=NN=N[N-]1	REAL250004653930	0	15	-1.0	-37.85	181.95	2.69	-35.16
BrC1=CN=CN=C1SC1=N[N-]N=N1	REAL250004653930	1	15	-1.0	-37.83	181.85	2.69	-35.14
FC(F)C1=NN=C2C=CC(SC3=NN=N[N-]3)=NN21	REAL250004653931	0	21	-1.0	-43.92	223.06	3.43	-40.49
FC(F)C1=NN=C2C=CC(SC3=N[N-]N=N3)=NN21	REAL250004653931	1	21	-1.0	-44.11	224.56	3.32	-40.79
FC(F)(F)C1=CSC(SC2=NN=N[N-]2)=N1	REAL250004653932	0	16	-1.0	-29.68	195.73	1.63	-28.05
FC(F)(F)C1=CSC(SC2=N[N-]N=N2)=N1	REAL250004653932	1	16	-1.0	-29.68	195.64	1.63	-28.05
C1=CC=C(C2=CN=CN=C2SC2=NN=N[N-]2)C=C1	REAL250004653933	0	25	-1.0	-42.68	238.91	5.58	-37.10
C1=CC=C(C2=CN=CN=C2SC2=N[N-]N=N2)C=C1	REAL250004653933	1	25	-1.0	-42.69	238.82	5.59	-37.10
C1=C(SC2=NN=N[N-]2)N=C(C2CC2)N=C1C1CC1	REAL250004653934	0	29	-1.0	-41.13	260.31	5.94	-35.19
C1=C(SC2=N[N-]N=N2)N=C(C2CC2)N=C1C1CC1	REAL250004653934	1	29	-1.0	-41.10	260.26	5.94	-35.16
BrC1=CN=C(SC2=NN=N[N-]2)N=C1	REAL250004653935	0	15	-1.0	-37.54	183.77	2.06	-35.48
BrC1=CN=C(SC2=N[N-]N=N2)N=C1	REAL250004653935	1	15	-1.0	-37.51	183.67	2.04	-35.47
COCC1=CC(SC2=NN=N[N-]2)=NC(C(C)(C)C)=N1	REAL250004653936	0	34	-1.0	-41.74	293.70	4.01	-37.73
COCC1=CC(SC2=N[N-]N=N2)=NC(C(C)(C)C)=N1	REAL250004653936	1	34	-1.0	-41.75	293.67	4.00	-37.75
CC(C)(C)C1=CC(SC2=NN=N[N-]2)=NC(C(C)(C)C)=N1	REAL250004653937	0	39	-1.0	-41.63	320.11	6.78	-34.85
CC(C)(C)C1=CC(SC2=N[N-]N=N2)=NC(C(C)(C)C)=N1	REAL250004653937	1	39	-1.0	-41.65	320.09	6.77	-34.88
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004653938	0	22	-1.0	-34.47	235.27	4.76	-29.71
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004653938	1	22	-1.0	-35.54	235.62	4.76	-30.78
CC(C)(C)N1N=CC2=C(SC3=NN=N[N-]3)N=CN=C21	REAL250004653939	0	30	-1.0	-40.20	270.29	5.01	-35.19
CC(C)(C)N1N=CC2=C(SC3=N[N-]N=N3)N=CN=C21	REAL250004653939	1	30	-1.0	-40.17	270.19	5.01	-35.16
CCC1=NN(C)C(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004653940	0	25	-1.0	-38.69	252.88	2.95	-35.74
CCC1=NN(C)C(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004653940	1	25	-1.0	-34.76	250.05	2.96	-31.80
C1=CC=C(C2=NSC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004653941	0	22	-1.0	-34.26	230.64	3.97	-30.29
C1=CC=C(C2=NSC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004653941	1	22	-1.0	-34.25	230.55	3.96	-30.29
CCC1=NC(SC2=NN=N[N-]2)=C2C=CSC2=N1	REAL250004653942	0	24	-1.0	-42.53	242.38	3.92	-38.61
CCC1=NC(SC2=N[N-]N=N2)=C2C=CSC2=N1	REAL250004653942	1	24	-1.0	-42.50	242.29	3.92	-38.58
O=[N+]([O-])C1=CC(Cl)=CN=C1SC1=NN=N[N-]1	REAL250004653943	0	18	-1.0	-37.77	208.09	3.37	-34.40
O=[N+]([O-])C1=CC(Cl)=CN=C1SC1=N[N-]N=N1	REAL250004653943	1	18	-1.0	-38.05	208.94	3.23	-34.82
CC(C)C1=CC(SC2=NN=N[N-]2)=NC(C(C)C)=N1	REAL250004653944	0	33	-1.0	-40.90	286.18	5.11	-35.79
CC(C)C1=CC(SC2=N[N-]N=N2)=NC(C(C)C)=N1	REAL250004653944	1	33	-1.0	-40.92	286.08	5.10	-35.82
C1CC1C1=NC(SC2=NN=N[N-]2)=C2CCCC2=N1	REAL250004653945	0	29	-1.0	-43.81	255.48	5.73	-38.08
C1CC1C1=NC(SC2=N[N-]N=N2)=C2CCCC2=N1	REAL250004653945	1	29	-1.0	-43.79	255.43	5.72	-38.07
COCC1=NC(OC)=CC(SC2=NN=N[N-]2)=N1	REAL250004653946	0	26	-1.0	-41.35	250.27	-0.49	-41.84
COCC1=NC(OC)=CC(SC2=N[N-]N=N2)=N1	REAL250004653946	1	26	-1.0	-41.38	250.18	-0.49	-41.87
O=[N+]([O-])C1=CC(Cl)=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653947	0	19	-1.0	-32.98	235.19	4.95	-28.03
O=[N+]([O-])C1=CC(Cl)=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653947	1	19	-1.0	-33.25	235.54	4.93	-28.32
CC(=O)C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653948	0	24	-1.0	-51.39	241.60	4.08	-47.31
CC(=O)C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653948	1	24	-1.0	-51.84	242.03	4.08	-47.76
C1=CC=C(CC2=NC=CC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004653949	0	28	-1.0	-44.48	265.69	5.69	-38.79
C1=CC=C(CC2=NC=CC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004653949	1	28	-1.0	-44.49	265.60	5.70	-38.79
CCOC(=O)C1=CN=C(SC2=NN=N[N-]2)N=C1C	REAL250004653950	0	27	-1.0	-37.71	255.84	3.55	-34.16
CCOC(=O)C1=CN=C(SC2=N[N-]N=N2)N=C1C	REAL250004653950	1	27	-1.0	-37.68	255.74	3.53	-34.15
CC(C)C1=NC(SC2=NN=N[N-]2)=NC(N(C)C)=N1	REAL250004653951	0	31	-1.0	-40.50	277.95	6.36	-34.14
CC(C)C1=NC(SC2=N[N-]N=N2)=NC(N(C)C)=N1	REAL250004653951	1	31	-1.0	-40.53	277.89	6.36	-34.17
CC(=O)C1=CC([N+](=O)[O-])=C(SC2=NN=N[N-]2)S1	REAL250004653952	0	21	-1.0	-29.88	229.97	3.83	-26.05
CC(=O)C1=CC([N+](=O)[O-])=C(SC2=N[N-]N=N2)S1	REAL250004653952	1	21	-1.0	-29.87	229.88	3.83	-26.04
COC1=CC=CC2=NC=NC(SC3=NN=N[N-]3)=C12	REAL250004653953	0	25	-1.0	-46.83	233.10	3.76	-43.07
COC1=CC=CC2=NC=NC(SC3=N[N-]N=N3)=C12	REAL250004653953	1	25	-1.0	-46.85	233.01	3.76	-43.09
C1=CC=C(C2=NN=C(SC3=NN=N[N-]3)S2)N=C1	REAL250004653954	0	21	-1.0	-46.06	229.34	1.81	-44.25
C1=CC=C(C2=NN=C(SC3=N[N-]N=N3)S2)N=C1	REAL250004653954	1	21	-1.0	-46.06	229.23	1.80	-44.26
CC1=CC2=C(SC3=NN=N[N-]3)N=CN=C2S1	REAL250004653955	0	21	-1.0	-41.39	220.90	4.16	-37.23
CC1=CC2=C(SC3=N[N-]N=N3)N=CN=C2S1	REAL250004653955	1	21	-1.0	-41.37	220.80	4.18	-37.19
ClC1=CC(SC2=NN=N[N-]2)=NC(C2CC2)=N1	REAL250004653956	0	22	-1.0	-38.33	231.75	4.18	-34.15
ClC1=CC(SC2=N[N-]N=N2)=NC(C2CC2)=N1	REAL250004653956	1	22	-1.0	-38.35	231.65	4.19	-34.16
COC1=CC(SC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL250004653957	0	27	-1.0	-44.58	257.82	2.79	-41.79
COC1=CC(SC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL250004653957	1	27	-1.0	-44.97	258.26	2.80	-42.17
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=NN=N[N-]1	REAL250004653958	0	22	-1.0	-42.29	238.19	4.60	-37.69
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SC1=N[N-]N=N1	REAL250004653958	1	22	-1.0	-42.69	238.63	4.63	-38.06
CC1=CSC2=NC(C)=NC(SC3=NN=N[N-]3)=C12	REAL250004653959	0	24	-1.0	-43.64	235.88	3.65	-39.99
CC1=CSC2=NC(C)=NC(SC3=N[N-]N=N3)=C12	REAL250004653959	1	24	-1.0	-43.61	235.79	3.66	-39.95
CS(=O)(=O)C1=CC=C(SC2=NN=N[N-]2)N=C1	REAL250004653960	0	22	-1.0	-49.90	228.40	-0.17	-50.07
CS(=O)(=O)C1=CC=C(SC2=N[N-]N=N2)N=C1	REAL250004653960	1	22	-1.0	-50.02	229.24	-0.31	-50.33
CC1=CC(C(F)(F)F)=NC(SC2=NN=N[N-]2)=N1	REAL250004653961	0	21	-1.0	-42.93	224.04	3.07	-39.86
CC1=CC(C(F)(F)F)=NC(SC2=N[N-]N=N2)=N1	REAL250004653961	1	21	-1.0	-42.96	223.94	3.05	-39.91
O=[N+]([O-])C1=CC=CC2=NC=NC(SC3=NN=N[N-]3)=C12	REAL250004653962	0	23	-1.0	-50.15	229.49	4.89	-45.26
O=[N+]([O-])C1=CC=CC2=NC=NC(SC3=N[N-]N=N3)=C12	REAL250004653962	1	23	-1.0	-50.14	229.39	4.88	-45.26
ClC1=CC2=NC=C(SC3=NN=N[N-]3)N=C2C=C1Cl	REAL250004653963	0	21	-1.0	-38.66	240.67	3.51	-35.15
ClC1=CC2=NC=C(SC3=N[N-]N=N3)N=C2C=C1Cl	REAL250004653963	1	21	-1.0	-38.74	241.51	3.38	-35.36
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1SC1=NN=N[N-]1	REAL250004653964	0	28	-1.0	-41.58	269.59	4.77	-36.81
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1SC1=N[N-]N=N1	REAL250004653964	1	28	-1.0	-41.87	270.05	4.77	-37.10
O=[N+]([O-])C1=CC(Cl)=CC=C1SC1=NN=N[N-]1	REAL250004653965	0	19	-1.0	-43.05	215.84	4.09	-38.96
O=[N+]([O-])C1=CC(Cl)=CC=C1SC1=N[N-]N=N1	REAL250004653965	1	19	-1.0	-43.55	216.28	4.11	-39.44
CC1=CSC2=C(SC3=NN=N[N-]3)N=CN=C12	REAL250004653966	0	21	-1.0	-41.94	220.41	4.02	-37.92
CC1=CSC2=C(SC3=N[N-]N=N3)N=CN=C12	REAL250004653966	1	21	-1.0	-41.94	220.32	4.02	-37.92
CC(C)C1=NC(SC2=NN=N[N-]2)=CC(C(C)(C)C)=N1	REAL250004653967	0	36	-1.0	-40.98	305.44	5.85	-35.13
CC(C)C1=NC(SC2=N[N-]N=N2)=CC(C(C)(C)C)=N1	REAL250004653967	1	36	-1.0	-40.99	305.34	5.86	-35.13
CCOC(=O)C1=CN=C(SC2=NN=N[N-]2)C=N1	REAL250004653968	0	24	-1.0	-39.71	239.98	2.02	-37.69
CCOC(=O)C1=CN=C(SC2=N[N-]N=N2)C=N1	REAL250004653968	1	24	-1.0	-39.74	239.88	2.02	-37.72
CCOC(=O)C1=NC=CC(SC2=NN=N[N-]2)=N1	REAL250004653969	0	24	-1.0	-51.64	240.98	3.06	-48.58
CCOC(=O)C1=NC=CC(SC2=N[N-]N=N2)=N1	REAL250004653969	1	24	-1.0	-51.65	240.88	3.07	-48.58
COC(=O)C1=CC=C([N+](=O)[O-])C(SC2=NN=N[N-]2)=N1	REAL250004653970	0	24	-1.0	-42.52	247.06	3.46	-39.06
COC(=O)C1=CC=C([N+](=O)[O-])C(SC2=N[N-]N=N2)=N1	REAL250004653970	1	24	-1.0	-42.88	247.90	3.33	-39.55
COC(=O)CC1=CC=NC(SC2=NN=N[N-]2)=N1	REAL250004653971	0	24	-1.0	-50.15	238.19	3.00	-47.15
COC(=O)CC1=CC=NC(SC2=N[N-]N=N2)=N1	REAL250004653971	1	24	-1.0	-50.15	238.10	2.98	-47.17
ClC1=CC(Cl)=C2OC(SC3=NN=N[N-]3)=NC2=C1	REAL250004653972	0	19	-1.0	-36.86	229.10	2.20	-34.66
ClC1=CC(Cl)=C2OC(SC3=N[N-]N=N3)=NC2=C1	REAL250004653972	1	19	-1.0	-36.88	229.00	2.20	-34.68
O=[N+]([O-])C1=CC(Cl)=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653973	0	19	-1.0	-32.98	235.19	4.95	-28.03
O=[N+]([O-])C1=CC(Cl)=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653973	1	19	-1.0	-33.25	235.54	4.93	-28.32
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1SC1=NN=N[N-]1	REAL250004653974	0	21	-1.0	-37.07	234.96	2.97	-34.10
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1SC1=N[N-]N=N1	REAL250004653974	1	21	-1.0	-37.45	235.41	2.97	-34.48
C1=CC=C(OC2=CC=NC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004653975	0	26	-1.0	-41.13	254.30	3.55	-37.58
C1=CC=C(OC2=CC=NC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004653975	1	26	-1.0	-41.10	254.20	3.53	-37.57
CCC(=O)C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653977	0	27	-1.0	-51.12	261.91	4.87	-46.25
CCC(=O)C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653977	1	27	-1.0	-51.51	262.34	4.87	-46.64
O=[N+]([O-])C1=CC=C(Cl)C=C1SC1=NN=N[N-]1	REAL250004653978	0	19	-1.0	-43.16	215.85	4.08	-39.08
O=[N+]([O-])C1=CC=C(Cl)C=C1SC1=N[N-]N=N1	REAL250004653978	1	19	-1.0	-43.64	216.28	4.10	-39.54
COC(=O)C1=CC(C)=NC(SC2=NN=N[N-]2)=N1	REAL250004653979	0	24	-1.0	-42.41	240.08	2.66	-39.75
COC(=O)C1=CC(C)=NC(SC2=N[N-]N=N2)=N1	REAL250004653979	1	24	-1.0	-42.39	239.99	2.64	-39.75
CCN1N=C(C)C([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004653980	0	25	-1.0	-39.08	253.21	3.10	-35.98
CCN1N=C(C)C([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004653980	1	25	-1.0	-42.08	248.62	3.26	-38.82
O=[N+]([O-])C1=CC=C2NC(SC3=NN=N[N-]3)=NC2=C1	REAL250004653981	0	22	-1.0	-46.00	227.88	3.41	-42.59
O=[N+]([O-])C1=CC=C2NC(SC3=N[N-]N=N3)=NC2=C1	REAL250004653981	1	22	-1.0	-45.99	227.79	3.41	-42.58
COC(=O)C1=CN=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653982	0	24	-1.0	-37.64	246.06	3.51	-34.13
COC(=O)C1=CN=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653982	1	24	-1.0	-37.65	245.96	3.49	-34.16
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1SC1=NN=N[N-]1	REAL250004653983	0	24	-1.0	-49.45	237.41	5.01	-44.44
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1SC1=N[N-]N=N1	REAL250004653983	1	24	-1.0	-49.72	238.25	4.87	-44.85
NC(=O)C1=CC=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004653984	0	22	-1.0	-50.92	229.15	0.76	-50.16
NC(=O)C1=CC=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004653984	1	22	-1.0	-51.37	229.99	0.63	-50.74
O=[N+]([O-])C1=CC2=C(SC3=NN=N[N-]3)N=CN=C2S1	REAL250004653985	0	20	-1.0	-35.01	228.89	4.20	-30.81
O=[N+]([O-])C1=CC2=C(SC3=N[N-]N=N3)N=CN=C2S1	REAL250004653985	1	20	-1.0	-34.98	228.80	4.20	-30.78
O=[N+]([O-])C1=CN=CC(Cl)=C1SC1=NN=N[N-]1	REAL250004653986	0	18	-1.0	-39.43	211.01	2.56	-36.87
O=[N+]([O-])C1=CN=CC(Cl)=C1SC1=N[N-]N=N1	REAL250004653986	1	18	-1.0	-39.86	211.37	2.55	-37.31
BrC1=CN=C(SC2=NN=N[N-]2)N=C1	REAL250004653987	0	15	-1.0	-37.54	183.77	2.06	-35.48
BrC1=CN=C(SC2=N[N-]N=N2)N=C1	REAL250004653987	1	15	-1.0	-37.51	183.67	2.04	-35.47
COC(=O)C1=CC=C(SC2=NN=N[N-]2)C(C#N)=N1	REAL250004653988	0	23	-1.0	-41.40	246.86	2.35	-39.05
COC(=O)C1=CC=C(SC2=N[N-]N=N2)C(C#N)=N1	REAL250004653988	1	23	-1.0	-41.42	246.76	2.37	-39.05
O=[N+]([O-])C1=CN=CC(Cl)=C1SC1=NN=N[N-]1	REAL250004653989	0	18	-1.0	-39.43	211.01	2.56	-36.87
O=[N+]([O-])C1=CN=CC(Cl)=C1SC1=N[N-]N=N1	REAL250004653989	1	18	-1.0	-39.86	211.37	2.55	-37.31
FC(F)(F)C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004653990	0	19	-1.0	-37.06	221.73	3.78	-33.28
FC(F)(F)C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004653990	1	19	-1.0	-37.24	222.57	3.64	-33.60
C1=CC2=C(C=C1)C1=C(N=CN=C1SC1=NN=N[N-]1)S2	REAL250004653991	0	24	-1.0	-43.75	240.28	5.51	-38.24
C1=CC2=C(C=C1)C1=C(N=CN=C1SC1=N[N-]N=N1)S2	REAL250004653991	1	24	-1.0	-43.75	240.20	5.51	-38.24
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004653992	0	21	-1.0	-53.06	224.08	4.37	-48.69
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004653992	1	21	-1.0	-53.92	224.51	4.39	-49.53
COC(=O)C1=CC(C)=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004653993	0	27	-1.0	-44.68	271.00	4.88	-39.80
COC(=O)C1=CC(C)=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004653993	1	27	-1.0	-45.03	271.84	4.74	-40.29
CC1=NC(C)=C(Br)C(SC2=NN=N[N-]2)=N1	REAL250004653994	0	21	-1.0	-39.17	222.47	3.14	-36.03
CC1=NC(C)=C(Br)C(SC2=N[N-]N=N2)=N1	REAL250004653994	1	21	-1.0	-39.16	222.37	3.15	-36.01
O=[N+]([O-])C1=CC=CC2=C(SC3=NN=N[N-]3)N=CC=C12	REAL250004653995	0	24	-1.0	-44.10	236.74	5.06	-39.04
O=[N+]([O-])C1=CC=CC2=C(SC3=N[N-]N=N3)N=CC=C12	REAL250004653995	1	24	-1.0	-44.11	236.64	5.07	-39.04
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653996	0	21	-1.0	-41.04	227.35	4.26	-36.78
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653996	1	21	-1.0	-41.42	227.79	4.28	-37.14
FC1=C2SC(SC3=NN=N[N-]3)=NC2=CC=C1	REAL250004653998	0	19	-1.0	-38.11	208.89	3.06	-35.05
FC1=C2SC(SC3=N[N-]N=N3)=NC2=CC=C1	REAL250004653998	1	19	-1.0	-38.10	208.80	3.05	-35.05
COC(=O)CC1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004653999	0	28	-1.0	-55.02	276.07	5.01	-50.01
COC(=O)CC1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004653999	1	28	-1.0	-55.47	276.51	5.03	-50.44
CC1=CC(SC2=NN=N[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL250004654000	0	22	-1.0	-37.06	226.71	4.58	-32.48
CC1=CC(SC2=N[N-]N=N2)=C(F)C=C1[N+](=O)[O-]	REAL250004654000	1	22	-1.0	-37.28	227.29	4.57	-32.71
CC1=NC(SC2=NN=N[N-]2)=C(Cl)C=C1C#N	REAL250004654001	0	20	-1.0	-37.31	222.80	3.64	-33.67
CC1=NC(SC2=N[N-]N=N2)=C(Cl)C=C1C#N	REAL250004654001	1	20	-1.0	-37.31	222.70	3.62	-33.69
C1=NC2=C(SC3=NN=N[N-]3)N=CN=C2N1C1CC1	REAL250004654002	0	25	-1.0	-46.80	240.23	5.82	-40.98
C1=NC2=C(SC3=N[N-]N=N3)N=CN=C2N1C1CC1	REAL250004654002	1	25	-1.0	-46.83	240.14	5.82	-41.01
COC(=O)C1=CC=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654003	0	24	-1.0	-44.61	249.40	4.29	-40.32
COC(=O)C1=CC=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654003	1	24	-1.0	-44.99	250.24	4.15	-40.84
CC(=O)C1=CC=C(C(F)(F)F)N=C1SC1=NN=N[N-]1	REAL250004654004	0	24	-1.0	-54.47	244.01	3.82	-50.65
CC(=O)C1=CC=C(C(F)(F)F)N=C1SC1=N[N-]N=N1	REAL250004654004	1	24	-1.0	-54.42	243.97	3.81	-50.61
BrC1=CC=CC(SC2=NN=N[N-]2)=N1	REAL250004654005	0	16	-1.0	-44.83	189.01	2.84	-41.99
BrC1=CC=CC(SC2=N[N-]N=N2)=N1	REAL250004654005	1	16	-1.0	-45.08	189.85	2.70	-42.38
COC(=O)C1=CN=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654006	0	24	-1.0	-37.64	246.06	3.51	-34.13
COC(=O)C1=CN=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654006	1	24	-1.0	-37.65	245.96	3.49	-34.16
FC1=CC=C(CC2=NC=CC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004654007	0	28	-1.0	-42.54	272.11	5.76	-36.78
FC1=CC=C(CC2=NC=CC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004654007	1	28	-1.0	-42.52	272.01	5.76	-36.76
CCOC(=O)C1=CN=C(SC2=NN=N[N-]2)S1	REAL250004654008	0	22	-1.0	-39.54	235.62	2.82	-36.72
CCOC(=O)C1=CN=C(SC2=N[N-]N=N2)S1	REAL250004654008	1	22	-1.0	-39.54	235.51	2.83	-36.71
CSC1=NC(SC2=NN=N[N-]2)=CC(C(F)F)=N1	REAL250004654009	0	22	-1.0	-35.49	234.09	3.76	-31.73
CSC1=NC(SC2=N[N-]N=N2)=CC(C(F)F)=N1	REAL250004654009	1	22	-1.0	-35.48	234.06	3.76	-31.72
CC(C)C1=CC2=C(SC3=NN=N[N-]3)N=CN=C2C=C1	REAL250004654010	0	30	-1.0	-42.59	266.66	6.08	-36.51
CC(C)C1=CC2=C(SC3=N[N-]N=N3)N=CN=C2C=C1	REAL250004654010	1	30	-1.0	-42.56	266.57	6.07	-36.49
CCN1C(C)=NC([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004654011	0	25	-1.0	-47.95	249.59	4.56	-43.39
CCN1C(C)=NC([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004654011	1	25	-1.0	-47.99	249.46	4.53	-43.46
FC1=CC2=C(SC3=NN=N[N-]3)N=C(C(F)F)N=C2C=C1	REAL250004654012	0	24	-1.0	-39.21	248.00	4.35	-34.86
FC1=CC2=C(SC3=N[N-]N=N3)N=C(C(F)F)N=C2C=C1	REAL250004654012	1	24	-1.0	-39.21	247.91	4.33	-34.88
CC1=CSC2=NC=NC(SC3=NN=N[N-]3)=C12	REAL250004654013	0	21	-1.0	-42.97	214.06	3.72	-39.25
CC1=CSC2=NC=NC(SC3=N[N-]N=N3)=C12	REAL250004654013	1	21	-1.0	-42.99	213.97	3.73	-39.26
N#CC1=C(SC2=NN=N[N-]2)C2=CC=CC(Cl)=C2N=C1	REAL250004654015	0	23	-1.0	-39.07	251.46	4.54	-34.53
N#CC1=C(SC2=N[N-]N=N2)C2=CC=CC(Cl)=C2N=C1	REAL250004654015	1	23	-1.0	-39.06	251.37	4.55	-34.51
O=[N+]([O-])C1=CN=C(SC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL250004654016	0	21	-1.0	-34.13	230.83	3.85	-30.28
O=[N+]([O-])C1=CN=C(SC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL250004654016	1	21	-1.0	-34.31	231.67	3.71	-30.60
CC1=CC(SC2=NN=N[N-]2)=NC(C2=CC=CS2)=N1	REAL250004654017	0	25	-1.0	-45.05	252.93	4.93	-40.12
CC1=CC(SC2=N[N-]N=N2)=NC(C2=CC=CS2)=N1	REAL250004654017	1	25	-1.0	-45.07	252.89	4.92	-40.15
O=[N+]([O-])C1=CC2=C(SC3=NN=N[N-]3)N=CC=C2C=C1	REAL250004654018	0	24	-1.0	-45.25	239.48	5.16	-40.09
O=[N+]([O-])C1=CC2=C(SC3=N[N-]N=N3)N=CC=C2C=C1	REAL250004654018	1	24	-1.0	-45.23	239.39	5.17	-40.06
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004654019	0	21	-1.0	-53.06	224.08	4.37	-48.69
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004654019	1	21	-1.0	-53.92	224.51	4.39	-49.53
CC1=CC(SC2=NN=N[N-]2)=C(C#N)C=C1[N+](=O)[O-]	REAL250004654020	0	23	-1.0	-39.08	239.92	4.75	-34.33
CC1=CC(SC2=N[N-]N=N2)=C(C#N)C=C1[N+](=O)[O-]	REAL250004654020	1	23	-1.0	-39.45	240.70	4.78	-34.67
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2SC1=NN=N[N-]1	REAL250004654021	0	29	-1.0	-45.68	276.12	5.74	-39.94
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2SC1=N[N-]N=N1	REAL250004654021	1	29	-1.0	-45.70	276.01	5.75	-39.95
CSC1=CC(SC2=NN=N[N-]2)=NC(SC)=N1	REAL250004654022	0	23	-1.0	-36.98	242.31	4.12	-32.86
CSC1=CC(SC2=N[N-]N=N2)=NC(SC)=N1	REAL250004654022	1	23	-1.0	-37.17	244.50	3.94	-33.23
CCN1C(=O)C(SC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004654023	0	28	-1.0	-48.78	257.29	3.97	-44.81
CCN1C(=O)C(SC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004654023	1	28	-1.0	-48.78	257.20	3.98	-44.80
C1CCC(C2=NSC(SC3=N[N-]N=N3)=N2)CC1	REAL250004654024	0	28	-1.0	-32.16	255.95	3.78	-28.38
C1CCC(C2=NSC(SC3=NN=N[N-]3)=N2)CC1	REAL250004654024	1	28	-1.0	-32.15	256.04	3.77	-28.38
C1CCC(C2=NSC(SC3=NN=N[N-]3)=N2)C1	REAL250004654025	0	25	-1.0	-32.57	237.26	3.13	-29.44
C1CCC(C2=NSC(SC3=N[N-]N=N3)=N2)C1	REAL250004654025	1	25	-1.0	-32.57	237.16	3.14	-29.43
COC1=NC=C(Br)C(SC2=NN=N[N-]2)=N1	REAL250004654027	0	19	-1.0	-42.59	214.10	-0.32	-42.91
COC1=NC=C(Br)C(SC2=N[N-]N=N2)=N1	REAL250004654027	1	19	-1.0	-42.58	214.00	-0.31	-42.89
C1=NC=C2C(SC3=N[N-]N=N3)=NC3=CC=CC=C3N12	REAL250004654028	0	25	-1.0	-47.64	239.89	5.60	-42.04
C1=NC=C2C(SC3=NN=N[N-]3)=NC3=CC=CC=C3N12	REAL250004654028	1	25	-1.0	-47.65	239.99	5.59	-42.06
CCOC(=O)CCC1=CC(SC2=NN=N[N-]2)=NC(C)=N1	REAL250004654029	0	33	-1.0	-42.25	304.13	5.21	-37.04
CCOC(=O)CCC1=CC(SC2=N[N-]N=N2)=NC(C)=N1	REAL250004654029	1	33	-1.0	-42.25	304.04	5.21	-37.04
COC(=O)C1=NC=NC(SC2=NN=N[N-]2)=C1OC	REAL250004654030	0	25	-1.0	-38.56	247.24	2.86	-35.70
COC(=O)C1=NC=NC(SC2=N[N-]N=N2)=C1OC	REAL250004654030	1	25	-1.0	-38.54	247.15	2.86	-35.68
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1SC1=NN=N[N-]1	REAL250004654031	0	28	-1.0	-44.29	254.39	5.29	-39.00
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1SC1=N[N-]N=N1	REAL250004654031	1	28	-1.0	-44.64	255.24	5.15	-39.49
CC(C)OC1=NC(SC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654032	0	28	-1.0	-38.41	263.83	4.52	-33.89
CC(C)OC1=NC(SC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654032	1	28	-1.0	-38.70	265.34	4.34	-34.36
ClC1=NC(SC2=NN=N[N-]2)=C2N=CNC2=N1	REAL250004654033	0	18	-1.0	-47.33	205.29	2.62	-44.71
ClC1=NC(SC2=N[N-]N=N2)=C2N=CNC2=N1	REAL250004654033	1	18	-1.0	-47.27	205.19	2.62	-44.65
BrC1=NN=C2C=CC(SC3=NN=N[N-]3)=NN12	REAL250004654034	0	18	-1.0	-42.25	211.20	3.14	-39.11
BrC1=NN=C2C=CC(SC3=N[N-]N=N3)=NN12	REAL250004654034	1	18	-1.0	-42.43	212.03	3.06	-39.37
N#CC1=CC(SC2=NN=N[N-]2)=C([N+](=O)[O-])S1	REAL250004654035	0	17	-1.0	-38.98	213.37	3.41	-35.57
N#CC1=CC(SC2=N[N-]N=N2)=C([N+](=O)[O-])S1	REAL250004654035	1	17	-1.0	-31.97	207.30	3.78	-28.19
ClC1=NC2=CC=CC=C2C(SC2=NN=N[N-]2)=N1	REAL250004654036	0	21	-1.0	-45.10	223.72	3.98	-41.12
ClC1=NC2=CC=CC=C2C(SC2=N[N-]N=N2)=N1	REAL250004654036	1	21	-1.0	-45.11	223.62	3.95	-41.16
CCOC1=NC(SC2=NN=N[N-]2)=NC=C1Cl	REAL250004654037	0	22	-1.0	-36.16	232.77	1.39	-34.77
CCOC1=NC(SC2=N[N-]N=N2)=NC=C1Cl	REAL250004654037	1	22	-1.0	-36.15	232.68	1.39	-34.76
ClC1=CC=C(C2=CC=C(SC3=NN=N[N-]3)N=N2)S1	REAL250004654038	0	22	-1.0	-45.25	249.41	4.27	-40.98
ClC1=CC=C(C2=CC=C(SC3=N[N-]N=N3)N=N2)S1	REAL250004654038	1	22	-1.0	-45.30	250.25	4.18	-41.12
FC1=CC(F)=CC(C2=NSC(SC3=NN=N[N-]3)=N2)=C1	REAL250004654039	0	22	-1.0	-30.00	243.46	4.12	-25.88
FC1=CC(F)=CC(C2=NSC(SC3=N[N-]N=N3)=N2)=C1	REAL250004654039	1	22	-1.0	-29.96	243.37	4.11	-25.85
COC1=CC=C(C2=NC=CC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004654040	0	29	-1.0	-44.54	267.59	4.78	-39.76
COC1=CC=C(C2=NC=CC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004654040	1	29	-1.0	-44.56	267.54	4.78	-39.78
FC1=NC=NC(SC2=NN=N[N-]2)=C1Br	REAL250004654041	0	15	-1.0	-33.85	187.78	2.62	-31.23
FC1=NC=NC(SC2=N[N-]N=N2)=C1Br	REAL250004654041	1	15	-1.0	-33.87	187.69	2.63	-31.24
COC1=CC(C(F)(F)F)=NC(SC2=NN=N[N-]2)=N1	REAL250004654042	0	22	-1.0	-34.15	232.97	1.48	-32.67
COC1=CC(C(F)(F)F)=NC(SC2=N[N-]N=N2)=N1	REAL250004654042	1	22	-1.0	-34.19	232.96	1.46	-32.73
COC1=CC(SC2=NN=N[N-]2)=C(Cl)C=C1[N+](=O)[O-]	REAL250004654043	0	23	-1.0	-36.06	247.27	4.51	-31.55
COC1=CC(SC2=N[N-]N=N2)=C(Cl)C=C1[N+](=O)[O-]	REAL250004654043	1	23	-1.0	-36.24	247.83	4.54	-31.70
N#CC1=C(SC2=NN=N[N-]2)C=CC([N+](=O)[O-])=C1N	REAL250004654044	0	22	-1.0	-38.59	232.85	2.35	-36.24
N#CC1=C(SC2=N[N-]N=N2)C=CC([N+](=O)[O-])=C1N	REAL250004654044	1	22	-1.0	-39.01	233.50	2.39	-36.62
CC1=NN2C(=C1)N=C(Cl)C=C2SC1=NN=N[N-]1	REAL250004654045	0	22	-1.0	-41.25	237.99	3.09	-38.16
CC1=NN2C(=C1)N=C(Cl)C=C2SC1=N[N-]N=N1	REAL250004654045	1	22	-1.0	-41.28	237.89	3.09	-38.19
NC(=O)C1=CC(SC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654046	0	23	-1.0	-37.55	238.21	1.53	-36.02
NC(=O)C1=CC(SC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654046	1	23	-1.0	-41.49	238.55	1.53	-39.96
CC1=CC=CC=C1C1=NSC(SC2=NN=N[N-]2)=N1	REAL250004654047	0	25	-1.0	-34.38	246.29	4.88	-29.50
CC1=CC=CC=C1C1=NSC(SC2=N[N-]N=N2)=N1	REAL250004654047	1	25	-1.0	-34.34	246.19	4.87	-29.47
ClC1=CC2=NC=C(SC3=NN=N[N-]3)N=C2C=C1	REAL250004654048	0	21	-1.0	-39.67	225.61	3.04	-36.63
ClC1=CC2=NC=C(SC3=N[N-]N=N3)N=C2C=C1	REAL250004654048	1	21	-1.0	-39.82	226.45	2.90	-36.92
BrC1=CC=CN=C1SC1=NN=N[N-]1	REAL250004654049	0	16	-1.0	-42.55	186.79	2.89	-39.66
BrC1=CC=CN=C1SC1=N[N-]N=N1	REAL250004654049	1	16	-1.0	-42.83	187.63	2.75	-40.08
C1CC(C2=NSC(SC3=N[N-]N=N3)=N2)CCO1	REAL250004654050	0	26	-1.0	-32.91	246.69	1.38	-31.53
C1CC(C2=NSC(SC3=NN=N[N-]3)=N2)CCO1	REAL250004654050	1	26	-1.0	-32.88	246.79	1.38	-31.50
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)C=CC2=CN=CC=C21	REAL250004654051	0	24	-1.0	-49.80	246.23	4.66	-45.14
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)C=CC2=CN=CC=C21	REAL250004654051	1	24	-1.0	-50.15	247.07	4.69	-45.46
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)C=CC2=CN=CC=C21	REAL250004654052	0	24	-1.0	-49.80	246.23	4.66	-45.14
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)C=CC2=CN=CC=C21	REAL250004654052	1	24	-1.0	-50.15	247.07	4.69	-45.46
C1=NN2C(=N1)N=C1CCCC1=C2SC1=NN=N[N-]1	REAL250004654053	0	25	-1.0	-48.95	238.93	6.03	-42.92
C1=NN2C(=N1)N=C1CCCC1=C2SC1=N[N-]N=N1	REAL250004654053	1	25	-1.0	-48.91	238.83	6.04	-42.87
N#CC1=CC(F)=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654054	0	20	-1.0	-41.36	227.09	4.29	-37.07
N#CC1=CC(F)=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654054	1	20	-1.0	-41.89	227.49	4.30	-37.59
CCC(C)OC1=CC(SC2=NN=N[N-]2)=NC(C)=N1	REAL250004654055	0	31	-1.0	-39.17	279.36	3.19	-35.98
CCC(C)OC1=CC(SC2=N[N-]N=N2)=NC(C)=N1	REAL250004654055	1	31	-1.0	-39.14	279.26	3.20	-35.94
CC1=CC=C2SC(SC3=NN=N[N-]3)=NC2=C1C	REAL250004654056	0	25	-1.0	-37.72	240.28	4.25	-33.47
CC1=CC=C2SC(SC3=N[N-]N=N3)=NC2=C1C	REAL250004654056	1	25	-1.0	-37.67	240.19	4.24	-33.43
C1=CSC(C2=NC=CC(SC3=NN=N[N-]3)=N2)=N1	REAL250004654057	0	21	-1.0	-44.33	229.13	2.28	-42.05
C1=CSC(C2=NC=CC(SC3=N[N-]N=N3)=N2)=N1	REAL250004654057	1	21	-1.0	-44.33	229.04	2.28	-42.05
COC(C)(C)C1=NSC(SC2=NN=N[N-]2)=N1	REAL250004654058	0	25	-1.0	-33.96	239.38	0.82	-33.14
COC(C)(C)C1=NSC(SC2=N[N-]N=N2)=N1	REAL250004654058	1	25	-1.0	-33.98	239.28	0.82	-33.16
CC1=CC=CC(C2=NSC(SC3=NN=N[N-]3)=N2)=C1	REAL250004654059	0	25	-1.0	-34.44	252.05	4.64	-29.80
CC1=CC=CC(C2=NSC(SC3=N[N-]N=N3)=N2)=C1	REAL250004654059	1	25	-1.0	-34.37	251.96	4.63	-29.74
NC(=O)C1=CC(SC2=NN=N[N-]2)=NC(Cl)=N1	REAL250004654060	0	19	-1.0	-38.43	216.75	-1.25	-39.68
NC(=O)C1=CC(SC2=N[N-]N=N2)=NC(Cl)=N1	REAL250004654060	1	19	-1.0	-38.43	216.65	-1.24	-39.67
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004654061	0	22	-1.0	-35.64	248.99	2.66	-32.98
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004654061	1	22	-1.0	-31.27	246.27	2.68	-28.59
N#CC1=C2C=CSC2=C(SC2=NN=N[N-]2)N=C1	REAL250004654062	0	20	-1.0	-39.90	224.71	4.08	-35.82
N#CC1=C2C=CSC2=C(SC2=N[N-]N=N2)N=C1	REAL250004654062	1	20	-1.0	-39.90	224.62	4.07	-35.83
CCN1C=NC2=C(SC3=NN=N[N-]3)N=C(Cl)N=C21	REAL250004654063	0	24	-1.0	-48.26	249.80	5.12	-43.14
CCN1C=NC2=C(SC3=N[N-]N=N3)N=C(Cl)N=C21	REAL250004654063	1	24	-1.0	-48.24	249.71	5.13	-43.11
N#CC1=CC([N+](=O)[O-])=C(SC2=NN=N[N-]2)C=C1F	REAL250004654064	0	20	-1.0	-38.59	225.85	4.01	-34.58
N#CC1=CC([N+](=O)[O-])=C(SC2=N[N-]N=N2)C=C1F	REAL250004654064	1	20	-1.0	-39.02	226.29	4.02	-35.00
CC1=CC(C(F)(F)F)=CN=C1SC1=NN=N[N-]1	REAL250004654065	0	22	-1.0	-41.30	225.23	3.90	-37.40
CC1=CC(C(F)(F)F)=CN=C1SC1=N[N-]N=N1	REAL250004654065	1	22	-1.0	-41.40	226.07	3.76	-37.64
O=[N+]([O-])C1=CC=C(SC2=NN=N[N-]2)C(C(F)F)=C1	REAL250004654066	0	22	-1.0	-39.33	230.33	4.35	-34.98
O=[N+]([O-])C1=CC=C(SC2=N[N-]N=N2)C(C(F)F)=C1	REAL250004654066	1	22	-1.0	-39.67	229.81	4.51	-35.16
N#CC1=CC(C(F)(F)F)=CC(SC2=NN=N[N-]2)=N1	REAL250004654067	0	20	-1.0	-40.89	227.82	3.65	-37.24
N#CC1=CC(C(F)(F)F)=CC(SC2=N[N-]N=N2)=N1	REAL250004654067	1	20	-1.0	-40.97	228.65	3.50	-37.47
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1SC1=NN=N[N-]1	REAL250004654068	0	19	-1.0	-42.76	230.71	4.79	-37.97
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1SC1=N[N-]N=N1	REAL250004654068	1	19	-1.0	-43.30	231.11	4.79	-38.51
O=[N+]([O-])C1=CC(CO)=C(SC2=NN=N[N-]2)C=C1F	REAL250004654069	0	23	-1.0	-34.31	236.83	1.24	-33.07
O=[N+]([O-])C1=CC(CO)=C(SC2=N[N-]N=N2)C=C1F	REAL250004654069	1	23	-1.0	-34.37	237.61	1.27	-33.10
N#CC1=CC=CC(Br)=C1SC1=NN=N[N-]1	REAL250004654070	0	18	-1.0	-44.12	215.59	4.19	-39.93
N#CC1=CC=CC(Br)=C1SC1=N[N-]N=N1	REAL250004654070	1	18	-1.0	-44.70	215.95	4.18	-40.52
FC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654071	0	19	-1.0	-39.16	211.95	3.53	-35.63
FC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654071	1	19	-1.0	-39.15	211.85	3.52	-35.63
N#CC1=CC=CC(OC2=CC=NC(SC3=NN=N[N-]3)=N2)=C1	REAL250004654072	0	27	-1.0	-41.73	275.19	3.93	-37.80
N#CC1=CC=CC(OC2=CC=NC(SC3=N[N-]N=N3)=N2)=C1	REAL250004654072	1	27	-1.0	-41.72	275.09	3.92	-37.80
C1=CC=C(C2=CC(SC3=NN=N[N-]3)=NC=N2)C=C1	REAL250004654073	0	25	-1.0	-41.96	239.64	5.78	-36.18
C1=CC=C(C2=CC(SC3=N[N-]N=N3)=NC=N2)C=C1	REAL250004654073	1	25	-1.0	-41.90	239.55	5.78	-36.12
CCOC(=O)C1=CN=C(CC)N=C1SC1=NN=N[N-]1	REAL250004654074	0	30	-1.0	-42.86	278.47	4.14	-38.72
CCOC(=O)C1=CN=C(CC)N=C1SC1=N[N-]N=N1	REAL250004654074	1	30	-1.0	-42.88	278.38	4.15	-38.73
ClC1=CC=CC(C2=CC(SC3=NN=N[N-]3)=NC=N2)=C1	REAL250004654075	0	25	-1.0	-40.33	256.37	6.30	-34.03
ClC1=CC=CC(C2=CC(SC3=N[N-]N=N3)=NC=N2)=C1	REAL250004654075	1	25	-1.0	-40.31	256.27	6.30	-34.01
FC(F)C1=NC2=NC=NN2C(SC2=NN=N[N-]2)=C1	REAL250004654076	0	21	-1.0	-43.31	227.10	5.08	-38.23
FC(F)C1=NC2=NC=NN2C(SC2=N[N-]N=N2)=C1	REAL250004654076	1	21	-1.0	-45.31	227.01	5.09	-40.22
CCC1=CC2=C(SC3=NN=N[N-]3)N=C(C)N=C2S1	REAL250004654077	0	27	-1.0	-41.54	264.21	4.88	-36.66
CCC1=CC2=C(SC3=N[N-]N=N3)N=C(C)N=C2S1	REAL250004654077	1	27	-1.0	-41.52	264.12	4.89	-36.63
CCOC(=O)C1=CC(SC2=NN=N[N-]2)=NC(C)=N1	REAL250004654078	0	27	-1.0	-38.15	262.17	3.61	-34.54
CCOC(=O)C1=CC(SC2=N[N-]N=N2)=NC(C)=N1	REAL250004654078	1	27	-1.0	-38.14	262.08	3.62	-34.52
N#CC1=CN=C(SC2=NN=N[N-]2)C(Br)=C1	REAL250004654079	0	17	-1.0	-37.61	207.54	3.30	-34.31
N#CC1=CN=C(SC2=N[N-]N=N2)C(Br)=C1	REAL250004654079	1	17	-1.0	-37.65	207.44	3.28	-34.37
COC(=O)C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004654080	0	22	-1.0	-38.24	237.39	3.43	-34.81
COC(=O)C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004654080	1	22	-1.0	-38.23	237.29	3.42	-34.81
FC(F)(F)C1=CC=CC2=C(SC3=NN=N[N-]3)N=CN=C12	REAL250004654081	0	24	-1.0	-43.35	244.40	5.36	-37.99
FC(F)(F)C1=CC=CC2=C(SC3=N[N-]N=N3)N=CN=C12	REAL250004654081	1	24	-1.0	-43.32	244.30	5.35	-37.97
BrC1=CC=C2OC(SC3=NN=N[N-]3)=NC2=C1	REAL250004654082	0	19	-1.0	-36.27	217.09	1.08	-35.19
BrC1=CC=C2OC(SC3=N[N-]N=N3)=NC2=C1	REAL250004654082	1	19	-1.0	-36.28	216.99	1.09	-35.19
ClC1=CC(SC2=NN=N[N-]2)=NC(C2CCCO2)=N1	REAL250004654083	0	26	-1.0	-39.42	258.04	2.61	-36.81
ClC1=CC(SC2=N[N-]N=N2)=NC(C2CCCO2)=N1	REAL250004654083	1	26	-1.0	-39.44	257.95	2.62	-36.82
CCC1=C(SC2=NN=N[N-]2)N2N=CN=C2N=C1C	REAL250004654084	0	27	-1.0	-48.17	251.12	6.00	-42.17
CCC1=C(SC2=N[N-]N=N2)N2N=CN=C2N=C1C	REAL250004654084	1	27	-1.0	-48.22	251.01	6.00	-42.22
CCOC(=O)C1=CC(Cl)=NN=C1SC1=NN=N[N-]1	REAL250004654085	0	24	-1.0	-44.18	252.17	2.85	-41.33
CCOC(=O)C1=CC(Cl)=NN=C1SC1=N[N-]N=N1	REAL250004654085	1	24	-1.0	-44.16	252.07	2.86	-41.30
C1=CC=C(C2=NC=NC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004654086	0	24	-1.0	-39.73	237.03	6.10	-33.63
C1=CC=C(C2=NC=NC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004654086	1	24	-1.0	-39.71	236.94	6.10	-33.61
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL250004654087	0	22	-1.0	-48.55	241.52	5.14	-43.41
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL250004654087	1	22	-1.0	-49.02	242.17	5.16	-43.86
ClC1=CC=CC(C2=NC=CC(SC3=NN=N[N-]3)=N2)=C1	REAL250004654088	0	25	-1.0	-46.53	254.89	6.00	-40.53
ClC1=CC=CC(C2=NC=CC(SC3=N[N-]N=N3)=N2)=C1	REAL250004654088	1	25	-1.0	-46.53	254.84	6.00	-40.53
O=[N+]([O-])C1=CN=C(SC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004654089	0	24	-1.0	-41.76	234.42	4.98	-36.78
O=[N+]([O-])C1=CN=C(SC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004654089	1	24	-1.0	-41.76	234.33	4.98	-36.78
O=[N+]([O-])C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004654090	0	18	-1.0	-35.28	210.97	3.44	-31.84
O=[N+]([O-])C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004654090	1	18	-1.0	-35.40	211.80	3.30	-32.10
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)C2=CC(F)=CC=C2N=C1	REAL250004654091	0	24	-1.0	-42.01	246.06	4.22	-37.79
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)C2=CC(F)=CC=C2N=C1	REAL250004654091	1	24	-1.0	-42.03	245.97	4.23	-37.80
CCOCC1=NC(C)=CC(SC2=NN=N[N-]2)=N1	REAL250004654092	0	28	-1.0	-45.11	261.49	2.63	-42.48
CCOCC1=NC(C)=CC(SC2=N[N-]N=N2)=N1	REAL250004654092	1	28	-1.0	-45.12	261.40	2.64	-42.48
FC1=CC(Cl)=CC2=NC=NC(SC3=NN=N[N-]3)=C12	REAL250004654093	0	21	-1.0	-39.09	227.03	4.66	-34.43
FC1=CC(Cl)=CC2=NC=NC(SC3=N[N-]N=N3)=C12	REAL250004654093	1	21	-1.0	-39.10	226.93	4.65	-34.45
CCOCC1=NC(Cl)=CC(SC2=NN=N[N-]2)=N1	REAL250004654094	0	25	-1.0	-39.75	256.74	2.44	-37.31
CCOCC1=NC(Cl)=CC(SC2=N[N-]N=N2)=N1	REAL250004654094	1	25	-1.0	-39.76	256.64	2.44	-37.32
FC1=C(F)C2=NC=NC(SC3=NN=N[N-]3)=C2C=C1	REAL250004654095	0	21	-1.0	-40.17	219.30	4.34	-35.83
FC1=C(F)C2=NC=NC(SC3=N[N-]N=N3)=C2C=C1	REAL250004654095	1	21	-1.0	-40.18	219.21	4.34	-35.84
ClC1=CC(SC2=NN=N[N-]2)=NC(C2CCC2)=N1	REAL250004654096	0	25	-1.0	-37.98	248.20	4.62	-33.36
ClC1=CC(SC2=N[N-]N=N2)=NC(C2CCC2)=N1	REAL250004654096	1	25	-1.0	-37.99	248.10	4.62	-33.37
C1=NC(OC2CCOCC2)=CC(SC2=NN=N[N-]2)=N1	REAL250004654097	0	30	-1.0	-38.58	269.33	1.97	-36.61
C1=NC(OC2CCOCC2)=CC(SC2=N[N-]N=N2)=N1	REAL250004654097	1	30	-1.0	-38.61	269.23	1.98	-36.63
N#CC1=CC(F)=C(C(F)(F)F)C=C1SC1=NN=N[N-]1	REAL250004654098	0	21	-1.0	-36.64	240.39	4.65	-31.99
N#CC1=CC(F)=C(C(F)(F)F)C=C1SC1=N[N-]N=N1	REAL250004654098	1	21	-1.0	-37.04	240.96	4.68	-32.36
N#CC1=CC=C(SC2=NN=N[N-]2)C=C1Br	REAL250004654099	0	18	-1.0	-35.34	217.54	4.23	-31.11
N#CC1=CC=C(SC2=N[N-]N=N2)C=C1Br	REAL250004654099	1	18	-1.0	-35.68	217.89	4.24	-31.44
N#CC1=CC=C(C(F)(F)F)N=C1SC1=NN=N[N-]1	REAL250004654100	0	20	-1.0	-44.26	226.70	3.62	-40.64
N#CC1=CC=C(C(F)(F)F)N=C1SC1=N[N-]N=N1	REAL250004654100	1	20	-1.0	-44.20	226.61	3.63	-40.57
N#CC1=CC(Br)=CN=C1SC1=NN=N[N-]1	REAL250004654101	0	17	-1.0	-37.53	208.35	3.23	-34.30
N#CC1=CC(Br)=CN=C1SC1=N[N-]N=N1	REAL250004654101	1	17	-1.0	-37.54	208.26	3.23	-34.31
BrC1=CN=CC(SC2=NN=N[N-]2)=N1	REAL250004654102	0	15	-1.0	-39.29	183.83	0.97	-38.32
BrC1=CN=CC(SC2=N[N-]N=N2)=N1	REAL250004654102	1	15	-1.0	-39.43	184.67	0.84	-38.59
CC1=CC=NC(SC2=NN=N[N-]2)=C1Br	REAL250004654103	0	19	-1.0	-42.89	205.29	3.47	-39.42
CC1=CC=NC(SC2=N[N-]N=N2)=C1Br	REAL250004654103	1	19	-1.0	-43.12	206.13	3.33	-39.79
O=[N+]([O-])C1=CC(Cl)=CN=C1SC1=NN=N[N-]1	REAL250004654104	0	18	-1.0	-37.77	208.09	3.37	-34.40
O=[N+]([O-])C1=CC(Cl)=CN=C1SC1=N[N-]N=N1	REAL250004654104	1	18	-1.0	-38.05	208.94	3.23	-34.82
C=CCN1N=CC2=C1N=C(SC1=NN=N[N-]1)NC2=O	REAL250004654105	0	26	-1.0	-37.49	256.19	2.47	-35.02
C=CCN1N=CC2=C1N=C(SC1=N[N-]N=N1)NC2=O	REAL250004654105	1	26	-1.0	-37.46	256.10	2.45	-35.01
NS(=O)(=O)C1=CC(SC2=NN=N[N-]2)=CC=N1	REAL250004654106	0	21	-1.0	-44.13	227.07	-3.60	-47.73
NS(=O)(=O)C1=CC(SC2=N[N-]N=N2)=CC=N1	REAL250004654106	1	21	-1.0	-44.27	227.43	-3.62	-47.89
CC1=CC(OC2=CC=CC=C2)=NC(SC2=NN=N[N-]2)=N1	REAL250004654107	0	29	-1.0	-44.27	270.77	4.84	-39.43
CC1=CC(OC2=CC=CC=C2)=NC(SC2=N[N-]N=N2)=N1	REAL250004654107	1	29	-1.0	-44.29	270.71	4.84	-39.45
O=[N+]([O-])C1=CC(Cl)=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004654108	0	19	-1.0	-32.98	235.19	4.95	-28.03
O=[N+]([O-])C1=CC(Cl)=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004654108	1	19	-1.0	-33.25	235.54	4.93	-28.32
C1=CSC(C2=CC(SC3=NN=N[N-]3)=NC=N2)=C1	REAL250004654109	0	22	-1.0	-40.79	232.46	4.85	-35.94
C1=CSC(C2=CC(SC3=N[N-]N=N3)=NC=N2)=C1	REAL250004654109	1	22	-1.0	-40.76	232.36	4.86	-35.90
C1=CC=C(CC2=NSC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004654110	0	25	-1.0	-32.80	253.94	4.38	-28.42
C1=CC=C(CC2=NSC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004654110	1	25	-1.0	-32.74	253.85	4.38	-28.36
CC(C)N1N=NC2=C(SC3=NN=N[N-]3)N=CN=C21	REAL250004654111	0	26	-1.0	-38.48	249.33	3.13	-35.35
CC(C)N1N=NC2=C(SC3=N[N-]N=N3)N=CN=C21	REAL250004654111	1	26	-1.0	-38.46	249.24	3.14	-35.32
C1=NC(SC2=NN=N[N-]2)=C2N=NN(CC3CC3)C2=N1	REAL250004654112	0	27	-1.0	-38.26	260.06	4.01	-34.25
C1=NC(SC2=N[N-]N=N2)=C2N=NN(CC3CC3)C2=N1	REAL250004654112	1	27	-1.0	-38.27	259.96	4.02	-34.25
COC(=O)C1=CC=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654113	0	24	-1.0	-44.61	249.40	4.29	-40.32
COC(=O)C1=CC=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654113	1	24	-1.0	-44.99	250.24	4.15	-40.84
BrC1=CSC(SC2=NN=N[N-]2)=N1	REAL250004654114	0	13	-1.0	-30.27	176.70	1.12	-29.15
BrC1=CSC(SC2=N[N-]N=N2)=N1	REAL250004654114	1	13	-1.0	-30.30	176.61	1.12	-29.18
CC1=NC=NC(SC2=NN=N[N-]2)=C1Br	REAL250004654115	0	18	-1.0	-38.55	200.62	3.22	-35.33
CC1=NC=NC(SC2=N[N-]N=N2)=C1Br	REAL250004654115	1	18	-1.0	-38.56	200.52	3.22	-35.34
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1SC1=NN=N[N-]1	REAL250004654116	0	22	-1.0	-42.40	238.21	4.60	-37.80
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1SC1=N[N-]N=N1	REAL250004654116	1	22	-1.0	-42.91	238.65	4.62	-38.29
CC1CCC(OC2=NC=CC(SC3=NN=N[N-]3)=N2)CC1	REAL250004654117	0	35	-1.0	-49.57	297.03	3.60	-45.97
CC1CCC(OC2=NC=CC(SC3=N[N-]N=N3)=N2)CC1	REAL250004654117	1	35	-1.0	-49.56	296.93	3.60	-45.96
NC1=NC(NC2=CC=CC=C2)=NC(SC2=NN=N[N-]2)=N1	REAL250004654118	0	28	-1.0	-39.94	264.97	6.71	-33.23
NC1=NC(NC2=CC=CC=C2)=NC(SC2=N[N-]N=N2)=N1	REAL250004654118	1	28	-1.0	-39.93	264.88	6.72	-33.21
ClC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654119	0	19	-1.0	-39.37	222.28	3.97	-35.40
ClC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654119	1	19	-1.0	-39.33	222.18	3.96	-35.37
CC1=NC(SC2=N[N-]N=N2)=NC=C1Br	REAL250004654120	0	18	-1.0	-38.28	202.35	2.57	-35.71
CC1=NC(SC2=NN=N[N-]2)=NC=C1Br	REAL250004654120	1	18	-1.0	-38.24	202.45	2.59	-35.65
CC(=O)C1=CC(SC2=NN=N[N-]2)=NC=C1[N+](=O)[O-]	REAL250004654121	0	23	-1.0	-38.33	236.40	3.37	-34.96
CC(=O)C1=CC(SC2=N[N-]N=N2)=NC=C1[N+](=O)[O-]	REAL250004654121	1	23	-1.0	-38.35	237.25	3.23	-35.12
COC1=CC=C(C2=CC(SC3=NN=N[N-]3)=NC=N2)C=C1	REAL250004654122	0	29	-1.0	-42.32	269.08	5.09	-37.23
COC1=CC=C(C2=CC(SC3=N[N-]N=N3)=NC=N2)C=C1	REAL250004654122	1	29	-1.0	-42.34	268.98	5.10	-37.24
COC(=O)C1=CC=C2N=C(SC3=NN=N[N-]3)OC2=C1	REAL250004654123	0	25	-1.0	-39.93	250.25	1.84	-38.09
COC(=O)C1=CC=C2N=C(SC3=N[N-]N=N3)OC2=C1	REAL250004654123	1	25	-1.0	-39.95	250.16	1.84	-38.11
CN1N=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1C(F)(F)F	REAL250004654124	0	22	-1.0	-36.75	242.27	3.03	-33.72
CN1N=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1C(F)(F)F	REAL250004654124	1	22	-1.0	-36.99	243.12	2.91	-34.08
C1=NC(SC2=NN=N[N-]2)=C2N=NN(C3CC3)C2=N1	REAL250004654125	0	24	-1.0	-38.74	238.04	3.23	-35.51
C1=NC(SC2=N[N-]N=N2)=C2N=NN(C3CC3)C2=N1	REAL250004654125	1	24	-1.0	-38.71	237.95	3.23	-35.48
CC1=NC(SC2=NN=N[N-]2)=CC(SC(C)C)=N1	REAL250004654126	0	28	-1.0	-39.57	264.93	5.17	-34.40
CC1=NC(SC2=N[N-]N=N2)=CC(SC(C)C)=N1	REAL250004654126	1	28	-1.0	-39.73	265.78	5.03	-34.70
CC1=NC(SC2=N[N-]N=N2)=NC=C1Br	REAL250004654127	0	18	-1.0	-38.28	202.35	2.57	-35.71
CC1=NC(SC2=NN=N[N-]2)=NC=C1Br	REAL250004654127	1	18	-1.0	-38.24	202.45	2.59	-35.65
COC(=O)C1=CC2=NC(SC3=NN=N[N-]3)=CN=C2C=C1	REAL250004654128	0	27	-1.0	-48.28	263.68	3.17	-45.11
COC(=O)C1=CC2=NC(SC3=N[N-]N=N3)=CN=C2C=C1	REAL250004654128	1	27	-1.0	-48.28	263.58	3.19	-45.09
COC(=O)C1=CN=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654129	0	24	-1.0	-37.64	246.06	3.51	-34.13
COC(=O)C1=CN=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654129	1	24	-1.0	-37.65	245.96	3.49	-34.16
CC1=NC(SC2=NN=N[N-]2)=CC(C2=COC=C2)=N1	REAL250004654130	0	25	-1.0	-44.18	245.23	3.69	-40.49
CC1=NC(SC2=N[N-]N=N2)=CC(C2=COC=C2)=N1	REAL250004654130	1	25	-1.0	-44.15	245.13	3.69	-40.46
CC1=NC(SC2=NN=N[N-]2)=CC(C2=CC=CO2)=N1	REAL250004654131	0	25	-1.0	-42.27	246.30	3.83	-38.44
CC1=NC(SC2=N[N-]N=N2)=CC(C2=CC=CO2)=N1	REAL250004654131	1	25	-1.0	-42.21	246.20	3.84	-38.37
O=[N+]([O-])C1=CC2=NC=C(SC3=NN=N[N-]3)N=C2C=C1	REAL250004654133	0	23	-1.0	-37.48	236.94	3.20	-34.28
O=[N+]([O-])C1=CC2=NC=C(SC3=N[N-]N=N3)N=C2C=C1	REAL250004654133	1	23	-1.0	-37.47	236.84	3.19	-34.28
COC(=O)C1=NC(C)=CC(SC2=NN=N[N-]2)=N1	REAL250004654134	0	24	-1.0	-44.99	240.79	2.75	-42.24
COC(=O)C1=NC(C)=CC(SC2=N[N-]N=N2)=N1	REAL250004654134	1	24	-1.0	-45.01	240.70	2.75	-42.26
CC1=CC(SC2=NN=N[N-]2)=NC(S(C)(=O)=O)=N1	REAL250004654135	0	24	-1.0	-51.64	247.02	-0.62	-52.26
CC1=CC(SC2=N[N-]N=N2)=NC(S(C)(=O)=O)=N1	REAL250004654135	1	24	-1.0	-51.64	246.93	-0.60	-52.24
COC1=CC(SC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004654136	0	22	-1.0	-39.12	235.55	0.95	-38.17
COC1=CC(SC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004654136	1	22	-1.0	-39.10	235.46	0.96	-38.14
CC1=NC(SC2=NN=N[N-]2)=C(Cl)C=C1[N+](=O)[O-]	REAL250004654137	0	21	-1.0	-35.00	229.81	4.01	-30.99
CC1=NC(SC2=N[N-]N=N2)=C(Cl)C=C1[N+](=O)[O-]	REAL250004654137	1	21	-1.0	-35.16	230.65	3.88	-31.28
CS(=O)(=O)C1=CN=C(SC2=NN=N[N-]2)C(Cl)=C1	REAL250004654138	0	22	-1.0	-46.91	243.46	0.28	-46.63
CS(=O)(=O)C1=CN=C(SC2=N[N-]N=N2)C(Cl)=C1	REAL250004654138	1	22	-1.0	-47.09	244.30	0.14	-46.95
CSC1=NC(SC2=NN=N[N-]2)=CC(C(F)(F)F)=N1	REAL250004654139	0	22	-1.0	-33.50	239.33	3.91	-29.59
CSC1=NC(SC2=N[N-]N=N2)=CC(C(F)(F)F)=N1	REAL250004654139	1	22	-1.0	-33.50	239.30	3.91	-29.59
CC1=CC(SC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL250004654140	0	21	-1.0	-43.56	224.92	3.09	-40.47
CC1=CC(SC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL250004654140	1	21	-1.0	-43.51	224.83	3.10	-40.41
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1SC1=NN=N[N-]1	REAL250004654141	0	23	-1.0	-45.69	238.34	3.15	-42.54
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1SC1=N[N-]N=N1	REAL250004654141	1	23	-1.0	-46.07	238.78	3.17	-42.90
COC(=O)C1=CC(C)=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654142	0	28	-1.0	-42.13	273.52	5.04	-37.09
COC(=O)C1=CC(C)=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654142	1	28	-1.0	-42.50	273.91	5.06	-37.44
COC(=O)CN1N=NC2=C(SC3=NN=N[N-]3)N=CN=C21	REAL250004654143	0	26	-1.0	-43.54	262.81	2.66	-40.88
COC(=O)CN1N=NC2=C(SC3=N[N-]N=N3)N=CN=C21	REAL250004654143	1	26	-1.0	-43.48	262.72	2.66	-40.82
BrC1=C2OC(SC3=NN=N[N-]3)=NC2=CC=C1	REAL250004654144	0	19	-1.0	-41.19	216.94	1.80	-39.39
BrC1=C2OC(SC3=N[N-]N=N3)=NC2=CC=C1	REAL250004654144	1	19	-1.0	-41.22	216.85	1.80	-39.42
BrC1=CC=NC(SC2=NN=N[N-]2)=C1	REAL250004654145	0	16	-1.0	-39.45	188.91	2.96	-36.49
BrC1=CC=NC(SC2=N[N-]N=N2)=C1	REAL250004654145	1	16	-1.0	-39.68	189.75	2.82	-36.86
CC1=CC=C(Br)N=C1SC1=NN=N[N-]1	REAL250004654146	0	19	-1.0	-45.83	207.57	3.41	-42.42
CC1=CC=C(Br)N=C1SC1=N[N-]N=N1	REAL250004654146	1	19	-1.0	-46.02	208.41	3.27	-42.75
ClC1=NC(NC2CC2)=CC(SC2=NN=N[N-]2)=N1	REAL250004654147	0	24	-1.0	-41.67	245.42	3.24	-38.43
ClC1=NC(NC2CC2)=CC(SC2=N[N-]N=N2)=N1	REAL250004654147	1	24	-1.0	-41.68	245.33	3.25	-38.43
C1=NC(SC2=NN=N[N-]2)=CC(C2CCCCC2)=N1	REAL250004654148	0	31	-1.0	-39.95	264.46	5.87	-34.08
C1=NC(SC2=N[N-]N=N2)=CC(C2CCCCC2)=N1	REAL250004654148	1	31	-1.0	-39.97	264.36	5.87	-34.10
CCC1=NC(SC2=NN=N[N-]2)=C2SC=C(C)C2=N1	REAL250004654149	0	27	-1.0	-43.06	263.71	4.58	-38.48
CCC1=NC(SC2=N[N-]N=N2)=C2SC=C(C)C2=N1	REAL250004654149	1	27	-1.0	-43.05	263.62	4.58	-38.47
ClC1=CC=C2SC(SC3=NN=N[N-]3)=NC2=C1	REAL250004654150	0	19	-1.0	-42.18	222.25	3.97	-38.21
ClC1=CC=C2SC(SC3=N[N-]N=N3)=NC2=C1	REAL250004654150	1	19	-1.0	-42.18	222.15	3.96	-38.22
BrC1=CC=C2N=C(SC3=NN=N[N-]3)OC2=C1	REAL250004654151	0	19	-1.0	-38.34	216.92	1.81	-36.53
BrC1=CC=C2N=C(SC3=N[N-]N=N3)OC2=C1	REAL250004654151	1	19	-1.0	-38.30	216.82	1.81	-36.49
CCC(C)C1=NC(C)=CC(SC2=NN=N[N-]2)=N1	REAL250004654152	0	30	-1.0	-41.97	265.88	4.54	-37.43
CCC(C)C1=NC(C)=CC(SC2=N[N-]N=N2)=N1	REAL250004654152	1	30	-1.0	-41.98	265.78	4.54	-37.44
CC1=CSC2=C(SC3=NN=N[N-]3)N=C(C)N=C12	REAL250004654153	0	24	-1.0	-42.69	242.23	3.96	-38.73
CC1=CSC2=C(SC3=N[N-]N=N3)N=C(C)N=C12	REAL250004654153	1	24	-1.0	-42.70	242.14	3.97	-38.73
CC1=CSC2=C(SC3=NN=N[N-]3)N=C(C3CC3)N=C12	REAL250004654154	0	28	-1.0	-42.54	268.07	5.77	-36.77
CC1=CSC2=C(SC3=N[N-]N=N3)N=C(C3CC3)N=C12	REAL250004654154	1	28	-1.0	-42.55	268.01	5.77	-36.78
CSC1=CC=CC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654155	0	23	-1.0	-52.38	245.60	5.19	-47.19
CSC1=CC=CC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654155	1	23	-1.0	-52.83	246.37	5.21	-47.62
CC(C)(C)C1=CN=C(SC2=NN=N[N-]2)C(C#N)=C1	REAL250004654157	0	29	-1.0	-41.10	263.47	4.90	-36.20
CC(C)(C)C1=CN=C(SC2=N[N-]N=N2)C(C#N)=C1	REAL250004654157	1	29	-1.0	-41.07	263.37	4.91	-36.16
CCOC(=O)C1=CN=C(C)N=C1SC1=NN=N[N-]1	REAL250004654158	0	27	-1.0	-42.56	256.99	3.53	-39.03
CCOC(=O)C1=CN=C(C)N=C1SC1=N[N-]N=N1	REAL250004654158	1	27	-1.0	-42.57	256.90	3.53	-39.04
FC(F)(F)C1=NC(SC2=NN=N[N-]2)=CC=C1Cl	REAL250004654159	0	19	-1.0	-44.11	219.67	3.73	-40.38
FC(F)(F)C1=NC(SC2=N[N-]N=N2)=CC=C1Cl	REAL250004654159	1	19	-1.0	-44.26	220.51	3.59	-40.67
CC(C)C1=NC(Cl)=CC(SC2=NN=N[N-]2)=N1	REAL250004654160	0	24	-1.0	-37.83	242.73	3.70	-34.13
CC(C)C1=NC(Cl)=CC(SC2=N[N-]N=N2)=N1	REAL250004654160	1	24	-1.0	-37.82	242.63	3.70	-34.12
FC(F)(F)C1=NC(SC2=NN=N[N-]2)=CC=C1Cl	REAL250004654161	0	19	-1.0	-44.11	219.67	3.73	-40.38
FC(F)(F)C1=NC(SC2=N[N-]N=N2)=CC=C1Cl	REAL250004654161	1	19	-1.0	-44.26	220.51	3.59	-40.67
COC(=O)C1=CC=C2SC(SC3=NN=N[N-]3)=NC2=C1	REAL250004654162	0	25	-1.0	-35.83	257.08	3.63	-32.20
COC(=O)C1=CC=C2SC(SC3=N[N-]N=N3)=NC2=C1	REAL250004654162	1	25	-1.0	-35.79	256.99	3.62	-32.17
CCCCC1=NC2=NC=NN2C(SC2=NN=N[N-]2)=C1	REAL250004654163	0	30	-1.0	-46.65	278.55	7.38	-39.27
CCCCC1=NC2=NC=NN2C(SC2=N[N-]N=N2)=C1	REAL250004654163	1	30	-1.0	-46.65	278.45	7.39	-39.26
FC1=C(F)C=C2SC(SC3=NN=N[N-]3)=NC2=C1	REAL250004654164	0	19	-1.0	-38.43	218.24	3.58	-34.85
FC1=C(F)C=C2SC(SC3=N[N-]N=N3)=NC2=C1	REAL250004654164	1	19	-1.0	-38.41	218.14	3.57	-34.84
O=C1NCCC2=CC(SC3=NN=N[N-]3)=C([N+](=O)[O-])C=C12	REAL250004654165	0	27	-1.0	-51.98	258.60	2.02	-49.96
O=C1NCCC2=CC(SC3=N[N-]N=N3)=C([N+](=O)[O-])C=C12	REAL250004654165	1	27	-1.0	-52.24	259.03	2.04	-50.20
N#CC1=CN=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654166	0	19	-1.0	-44.59	221.20	3.01	-41.58
N#CC1=CN=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654166	1	19	-1.0	-44.58	221.10	3.01	-41.57
CC(=O)C1=CC=C(Cl)N=C1SC1=NN=N[N-]1	REAL250004654167	0	21	-1.0	-53.12	220.62	3.14	-49.98
CC(=O)C1=CC=C(Cl)N=C1SC1=N[N-]N=N1	REAL250004654167	1	21	-1.0	-53.09	220.53	3.15	-49.94
COC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654168	0	23	-1.0	-42.33	235.05	2.74	-39.59
COC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654168	1	23	-1.0	-42.34	234.95	2.74	-39.60
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)N=C2C=C(Cl)C=CN21	REAL250004654169	0	22	-1.0	-42.61	251.41	6.24	-36.37
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)N=C2C=C(Cl)C=CN21	REAL250004654169	1	22	-1.0	-42.57	251.30	6.22	-36.35
COC(=O)C1=CC(Cl)=NN=C1SC1=NN=N[N-]1	REAL250004654170	0	21	-1.0	-44.85	230.30	1.93	-42.92
COC(=O)C1=CC(Cl)=NN=C1SC1=N[N-]N=N1	REAL250004654170	1	21	-1.0	-44.85	230.21	1.93	-42.92
CNC(=O)C1=CC(C)=NC(SC2=NN=N[N-]2)=N1	REAL250004654171	0	25	-1.0	-37.49	240.14	0.63	-36.86
CNC(=O)C1=CC(C)=NC(SC2=N[N-]N=N2)=N1	REAL250004654171	1	25	-1.0	-37.48	240.09	0.61	-36.87
CC1=NC2=C(SC3=NN=N[N-]3)N=CN=C2S1	REAL250004654172	0	20	-1.0	-42.51	216.01	2.20	-40.31
CC1=NC2=C(SC3=N[N-]N=N3)N=CN=C2S1	REAL250004654172	1	20	-1.0	-42.47	215.91	2.21	-40.26
CCOC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654173	0	26	-1.0	-41.96	256.91	3.67	-38.29
CCOC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654173	1	26	-1.0	-41.96	256.81	3.66	-38.30
COC(=O)C1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654174	0	25	-1.0	-40.54	260.19	4.10	-36.44
COC(=O)C1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654174	1	25	-1.0	-40.50	260.09	4.10	-36.40
COC(=O)C1=CC2=C(SC3=NN=N[N-]3)N=CNC2=N1	REAL250004654175	0	25	-1.0	-43.42	250.43	3.82	-39.60
COC(=O)C1=CC2=C(SC3=N[N-]N=N3)N=CNC2=N1	REAL250004654175	1	25	-1.0	-43.35	250.35	3.83	-39.52
NC(=O)C1=CC=C([N+](=O)[O-])C(SC2=NN=N[N-]2)=C1	REAL250004654176	0	23	-1.0	-52.18	233.57	0.37	-51.81
NC(=O)C1=CC=C([N+](=O)[O-])C(SC2=N[N-]N=N2)=C1	REAL250004654176	1	23	-1.0	-52.82	234.01	0.38	-52.44
N#CC1=CC2=C(CCCC2=O)N=C1SC1=NN=N[N-]1	REAL250004654177	0	26	-1.0	-39.00	252.17	4.18	-34.82
N#CC1=CC2=C(CCCC2=O)N=C1SC1=N[N-]N=N1	REAL250004654177	1	26	-1.0	-39.02	252.08	4.17	-34.85
CC1=NN(C)C2=NC(SC3=NN=N[N-]3)=C(C#N)C=C12	REAL250004654178	0	26	-1.0	-43.81	258.47	4.18	-39.63
CC1=NN(C)C2=NC(SC3=N[N-]N=N3)=C(C#N)C=C12	REAL250004654178	1	26	-1.0	-43.81	258.38	4.16	-39.65
CSC1=NC(SC2=NN=N[N-]2)=C(C#N)S1	REAL250004654179	0	18	-1.0	-42.43	220.34	2.61	-39.82
CSC1=NC(SC2=N[N-]N=N2)=C(C#N)S1	REAL250004654179	1	18	-1.0	-42.71	221.20	2.47	-40.24
COC(=O)C1=CC2=C(SC3=NN=N[N-]3)N=CN=C2N1C	REAL250004654180	0	28	-1.0	-41.84	267.96	5.31	-36.53
COC(=O)C1=CC2=C(SC3=N[N-]N=N3)N=CN=C2N1C	REAL250004654180	1	28	-1.0	-41.80	267.87	5.31	-36.49
CC1=CC(C(F)(F)F)=C(C#N)C(SC2=NN=N[N-]2)=N1	REAL250004654181	0	23	-1.0	-38.56	244.97	4.02	-34.54
CC1=CC(C(F)(F)F)=C(C#N)C(SC2=N[N-]N=N2)=N1	REAL250004654181	1	23	-1.0	-38.55	244.87	4.02	-34.53
FC(F)(F)C1=CC2=C(SC3=NN=N[N-]3)N=CN=C2C=C1	REAL250004654182	0	24	-1.0	-38.85	245.61	5.17	-33.68
FC(F)(F)C1=CC2=C(SC3=N[N-]N=N3)N=CN=C2C=C1	REAL250004654182	1	24	-1.0	-38.85	245.52	5.16	-33.69
COC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=N1	REAL250004654183	0	22	-1.0	-36.58	229.48	-0.43	-37.01
COC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=N1	REAL250004654183	1	22	-1.0	-36.55	229.39	-0.44	-36.99
COCCOC1=CC=NC(SC2=NN=N[N-]2)=N1	REAL250004654184	0	26	-1.0	-40.97	250.21	0.12	-40.85
COCCOC1=CC=NC(SC2=N[N-]N=N2)=N1	REAL250004654184	1	26	-1.0	-40.98	250.11	0.12	-40.86
O=[N+]([O-])C1=CC=C2N=C(SC3=NN=N[N-]3)SC2=C1	REAL250004654185	0	21	-1.0	-36.93	233.74	4.12	-32.81
O=[N+]([O-])C1=CC=C2N=C(SC3=N[N-]N=N3)SC2=C1	REAL250004654185	1	21	-1.0	-36.92	233.64	4.11	-32.81
FC1=CC(C(F)(F)F)=CN=C1SC1=NN=N[N-]1	REAL250004654186	0	19	-1.0	-37.06	212.46	3.38	-33.68
FC1=CC(C(F)(F)F)=CN=C1SC1=N[N-]N=N1	REAL250004654186	1	19	-1.0	-37.19	213.30	3.24	-33.95
O=[N+]([O-])C1=CC=CC(Cl)=C1SC1=NN=N[N-]1	REAL250004654187	0	19	-1.0	-46.96	215.54	4.32	-42.64
O=[N+]([O-])C1=CC=CC(Cl)=C1SC1=N[N-]N=N1	REAL250004654187	1	19	-1.0	-47.64	215.93	4.32	-43.32
NC(=O)C1=CC=C(SC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654188	0	23	-1.0	-51.96	233.41	0.36	-51.60
NC(=O)C1=CC=C(SC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654188	1	23	-1.0	-52.33	233.85	0.38	-51.95
CC1=CC(SC2=NN=N[N-]2)=C([N+](=O)[O-])C(C)=N1	REAL250004654189	0	24	-1.0	-43.22	243.21	3.67	-39.55
CC1=CC(SC2=N[N-]N=N2)=C([N+](=O)[O-])C(C)=N1	REAL250004654189	1	24	-1.0	-43.48	243.57	3.67	-39.81
CC1=CC=C2N=C(SC3=NN=N[N-]3)SC2=N1	REAL250004654190	0	21	-1.0	-39.26	218.86	1.72	-37.54
CC1=CC=C2N=C(SC3=N[N-]N=N3)SC2=N1	REAL250004654190	1	21	-1.0	-39.25	218.77	1.71	-37.54
CN(C)C1=NC=NC(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654191	0	25	-1.0	-36.41	249.66	3.19	-33.22
CN(C)C1=NC=NC(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654191	1	25	-1.0	-36.62	250.51	3.03	-33.59
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1SC1=NN=N[N-]1	REAL250004654192	0	24	-1.0	-38.68	247.19	5.09	-33.59
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1SC1=N[N-]N=N1	REAL250004654192	1	24	-1.0	-39.07	247.59	5.10	-33.97
CC1=CC(C)=C(C(F)(F)F)C(SC2=NN=N[N-]2)=N1	REAL250004654193	0	25	-1.0	-43.87	239.59	4.34	-39.53
CC1=CC(C)=C(C(F)(F)F)C(SC2=N[N-]N=N2)=N1	REAL250004654193	1	25	-1.0	-44.19	240.43	4.21	-39.98
CC1=C(SC2=NN=N[N-]2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL250004654194	0	24	-1.0	-39.25	248.76	6.00	-33.25
CC1=C(SC2=N[N-]N=N2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL250004654194	1	24	-1.0	-39.36	249.38	6.04	-33.32
COC(=O)C1=NC2=C(CCC2)C(SC2=NN=N[N-]2)=N1	REAL250004654195	0	28	-1.0	-46.81	264.24	3.98	-42.83
COC(=O)C1=NC2=C(CCC2)C(SC2=N[N-]N=N2)=N1	REAL250004654195	1	28	-1.0	-46.81	264.15	3.98	-42.83
C1=NC2=C(SCCC2)C(SC2=NN=N[N-]2)=N1	REAL250004654196	0	23	-1.0	-44.14	223.63	4.25	-39.89
C1=NC2=C(SCCC2)C(SC2=N[N-]N=N2)=N1	REAL250004654196	1	23	-1.0	-44.29	224.48	4.10	-40.19
CC1=C2N=C(Cl)C=C(SC3=NN=N[N-]3)N2N=C1	REAL250004654197	0	22	-1.0	-40.86	237.96	3.18	-37.68
CC1=C2N=C(Cl)C=C(SC3=N[N-]N=N3)N2N=C1	REAL250004654197	1	22	-1.0	-40.80	237.85	3.17	-37.63
CC1=NN(C(C)C)C(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654198	0	28	-1.0	-39.82	273.48	3.79	-36.03
CC1=NN(C(C)C)C(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654198	1	28	-1.0	-41.91	268.89	3.95	-37.96
COC(=O)C1=CC=C(SC2=NN=N[N-]2)C(C#N)=N1	REAL250004654199	0	23	-1.0	-41.40	246.86	2.35	-39.05
COC(=O)C1=CC=C(SC2=N[N-]N=N2)C(C#N)=N1	REAL250004654199	1	23	-1.0	-41.42	246.76	2.37	-39.05
CCC(C)C1=CC=C(C#N)C(SC2=NN=N[N-]2)=N1	REAL250004654200	0	29	-1.0	-45.33	265.37	5.07	-40.26
CCC(C)C1=CC=C(C#N)C(SC2=N[N-]N=N2)=N1	REAL250004654200	1	29	-1.0	-45.35	265.27	5.07	-40.28
O=[N+]([O-])C1=C(SC2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL250004654201	0	26	-1.0	-42.37	257.78	4.39	-37.98
O=[N+]([O-])C1=C(SC2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL250004654201	1	26	-1.0	-44.36	256.93	4.51	-39.85
N#CC1=CC2=C(COCC2)N=C1SC1=NN=N[N-]1	REAL250004654202	0	25	-1.0	-43.00	241.00	2.65	-40.35
N#CC1=CC2=C(COCC2)N=C1SC1=N[N-]N=N1	REAL250004654202	1	25	-1.0	-43.00	240.91	2.65	-40.35
COC(=O)C1=C2N=C(SC3=NN=N[N-]3)OC2=CC=C1	REAL250004654203	0	25	-1.0	-45.93	250.01	1.34	-44.59
COC(=O)C1=C2N=C(SC3=N[N-]N=N3)OC2=CC=C1	REAL250004654203	1	25	-1.0	-45.91	249.91	1.33	-44.58
COC1=C(F)C=C(F)C(SC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654204	0	23	-1.0	-42.72	251.15	3.70	-39.02
COC1=C(F)C=C(F)C(SC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654204	1	23	-1.0	-43.06	251.51	3.69	-39.37
CC1=NC(SC2=NN=N[N-]2)=C2C=CSC2=N1	REAL250004654205	0	21	-1.0	-42.19	220.90	3.30	-38.89
CC1=NC(SC2=N[N-]N=N2)=C2C=CSC2=N1	REAL250004654205	1	21	-1.0	-42.19	220.80	3.31	-38.88
C1=CC=C(CCC2=NC=CC(SC3=NN=N[N-]3)=N2)C=C1	REAL250004654206	0	31	-1.0	-44.61	287.19	6.49	-38.12
C1=CC=C(CCC2=NC=CC(SC3=N[N-]N=N3)=N2)C=C1	REAL250004654206	1	31	-1.0	-44.56	287.10	6.49	-38.07
C1=CC=C(OC2=CC(SC3=NN=N[N-]3)=NC=N2)C=C1	REAL250004654207	0	26	-1.0	-39.81	254.42	4.23	-35.58
C1=CC=C(OC2=CC(SC3=N[N-]N=N3)=NC=N2)C=C1	REAL250004654207	1	26	-1.0	-39.79	254.32	4.24	-35.55
N#CC1=CC=C(SC2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004654208	0	20	-1.0	-44.87	224.44	3.49	-41.38
N#CC1=CC=C(SC2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004654208	1	20	-1.0	-44.86	224.35	3.48	-41.38
FC(F)(F)C1=CC(Cl)=CN=C1SC1=NN=N[N-]1	REAL250004654209	0	19	-1.0	-37.24	219.22	3.70	-33.54
FC(F)(F)C1=CC(Cl)=CN=C1SC1=N[N-]N=N1	REAL250004654209	1	19	-1.0	-37.46	220.06	3.56	-33.90
CS(=O)(=O)C1=CC(SC2=NN=N[N-]2)=NC=N1	REAL250004654210	0	21	-1.0	-46.60	224.49	-0.48	-47.08
CS(=O)(=O)C1=CC(SC2=N[N-]N=N2)=NC=N1	REAL250004654210	1	21	-1.0	-46.56	224.39	-0.48	-47.04
CC(=O)C1=CC=C(SC2=NN=N[N-]2)N=C1C(F)(F)F	REAL250004654211	0	24	-1.0	-46.00	245.38	3.68	-42.32
CC(=O)C1=CC=C(SC2=N[N-]N=N2)N=C1C(F)(F)F	REAL250004654211	1	24	-1.0	-46.00	245.29	3.65	-42.35
CC1(C2=NC(Cl)=CC(SC3=NN=N[N-]3)=N2)CC1	REAL250004654212	0	25	-1.0	-37.46	248.09	4.91	-32.55
CC1(C2=NC(Cl)=CC(SC3=N[N-]N=N3)=N2)CC1	REAL250004654212	1	25	-1.0	-37.43	248.04	4.92	-32.51
COC1=CC2=CC(C#N)=C(SC3=NN=N[N-]3)N=C2C=C1	REAL250004654213	0	27	-1.0	-44.18	262.73	4.09	-40.09
COC1=CC2=CC(C#N)=C(SC3=N[N-]N=N3)N=C2C=C1	REAL250004654213	1	27	-1.0	-44.14	262.64	4.07	-40.07
CC1CCC2=CC(C#N)=C(SC3=NN=N[N-]3)N=C2C1	REAL250004654214	0	30	-1.0	-44.00	270.87	5.68	-38.32
CC1CCC2=CC(C#N)=C(SC3=N[N-]N=N3)N=C2C1	REAL250004654214	1	30	-1.0	-43.99	270.78	5.69	-38.30
CCOC(=O)C1=CN=C(C(C)C)N=C1SC1=NN=N[N-]1	REAL250004654215	0	33	-1.0	-43.62	298.46	4.74	-38.88
CCOC(=O)C1=CN=C(C(C)C)N=C1SC1=N[N-]N=N1	REAL250004654215	1	33	-1.0	-43.60	298.37	4.75	-38.85
CCOC(=O)C1=CN=C(SC2=NN=N[N-]2)N=C1	REAL250004654216	0	24	-1.0	-37.55	239.37	3.02	-34.53
CCOC(=O)C1=CN=C(SC2=N[N-]N=N2)N=C1	REAL250004654216	1	24	-1.0	-37.53	239.27	3.02	-34.51
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=N[N-]N=N1	REAL250004654217	0	33	-1.0	-38.35	296.32	5.09	-33.26
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=NN=N[N-]1	REAL250004654217	1	33	-1.0	-38.37	296.37	5.10	-33.27
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004654218	0	32	-1.0	-37.84	267.55	4.98	-32.86
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004654218	1	32	-1.0	-37.87	267.61	5.00	-32.87
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004654219	0	32	-1.0	-36.19	292.24	5.22	-30.97
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004654219	1	32	-1.0	-36.19	292.30	5.23	-30.96
CC(CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654220	0	32	-1.0	-42.16	270.60	5.45	-36.71
CC(CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654220	1	32	-1.0	-42.18	270.54	5.44	-36.74
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654221	0	31	-1.0	-54.89	269.31	4.27	-50.62
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654221	1	31	-1.0	-54.86	269.25	4.26	-50.60
CC(CN(C)C1=CC=CC(F)=C1C#N)C1=NN=N[N-]1	REAL250004654222	0	31	-1.0	-40.68	274.39	4.46	-36.22
CC(CN(C)C1=CC=CC(F)=C1C#N)C1=N[N-]N=N1	REAL250004654222	1	31	-1.0	-40.70	274.33	4.44	-36.26
CC(CN(C)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL250004654223	0	31	-1.0	-42.70	269.63	3.90	-38.80
CC(CN(C)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL250004654223	1	31	-1.0	-42.70	269.58	3.89	-38.81
CC(CN(C)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004654224	0	34	-1.0	-38.74	278.67	3.66	-35.08
CC(CN(C)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004654224	1	34	-1.0	-38.75	278.61	3.64	-35.11
CC(CN(C)C1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654225	0	32	-1.0	-38.84	276.97	5.52	-33.32
CC(CN(C)C1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654225	1	32	-1.0	-38.81	277.03	5.53	-33.28
CC(CN(C)C1=CC=C(C#N)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654226	0	33	-1.0	-40.56	291.16	5.84	-34.72
CC(CN(C)C1=CC=C(C#N)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654226	1	33	-1.0	-40.54	291.21	5.86	-34.68
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004654227	0	31	-1.0	-35.48	268.81	4.62	-30.86
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004654227	1	31	-1.0	-35.48	268.75	4.61	-30.87
CC(CN(C)C1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL250004654228	0	32	-1.0	-40.19	271.28	2.53	-37.66
CC(CN(C)C1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL250004654228	1	32	-1.0	-40.20	271.23	2.51	-37.69
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004654229	0	32	-1.0	-44.89	279.78	5.38	-39.51
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004654229	1	32	-1.0	-44.90	279.72	5.36	-39.54
CC(CN(C)C1=C([N+](=O)[O-])N=CN1C)C1=NN=N[N-]1	REAL250004654230	0	32	-1.0	-44.48	273.39	5.40	-39.08
CC(CN(C)C1=C([N+](=O)[O-])N=CN1C)C1=N[N-]N=N1	REAL250004654230	1	32	-1.0	-44.49	273.33	5.39	-39.10
CC(CN(C)C1=NC=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004654231	0	34	-1.0	-42.74	286.12	4.98	-37.76
CC(CN(C)C1=NC=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004654231	1	34	-1.0	-42.75	286.06	4.96	-37.79
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1C#N)C1=NN=N[N-]1	REAL250004654232	0	32	-1.0	-38.07	295.44	4.08	-33.99
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1C#N)C1=N[N-]N=N1	REAL250004654232	1	32	-1.0	-38.07	295.38	4.07	-34.00
CC(CN(C)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL250004654233	0	31	-1.0	-43.09	270.08	4.23	-38.86
CC(CN(C)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL250004654233	1	31	-1.0	-43.05	270.04	4.21	-38.84
CC1=NC2=NC=NN2C(N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004654234	0	34	-1.0	-38.34	279.46	7.43	-30.91
CC1=NC2=NC=NN2C(N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004654234	1	34	-1.0	-38.31	279.40	7.42	-30.89
CC(CN(C)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004654235	0	34	-1.0	-42.45	282.73	3.89	-38.56
CC(CN(C)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004654235	1	34	-1.0	-42.43	282.68	3.88	-38.55
CC(CN(C)C1=NN2N=NN=C2C=C1)C1=NN=N[N-]1	REAL250004654236	0	30	-1.0	-50.78	256.88	2.01	-48.77
CC(CN(C)C1=NN2N=NN=C2C=C1)C1=N[N-]N=N1	REAL250004654236	1	30	-1.0	-50.72	256.83	2.00	-48.72
CC(CN(C)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL250004654237	0	28	-1.0	-34.38	249.16	2.01	-32.37
CC(CN(C)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL250004654237	1	28	-1.0	-34.35	249.10	2.00	-32.35
CC(CN(C)C1=NC=NC2=NNC=C21)C1=NN=N[N-]1	REAL250004654238	0	31	-1.0	-46.93	261.51	2.40	-44.53
CC(CN(C)C1=NC=NC2=NNC=C21)C1=N[N-]N=N1	REAL250004654238	1	31	-1.0	-46.92	261.46	2.38	-44.54
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004654239	0	32	-1.0	-36.51	282.51	4.53	-31.98
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004654239	1	32	-1.0	-36.49	282.57	4.54	-31.95
CC1=CN2N=C(N(C)CC(C)C3=N[N-]N=N3)SC2=N1	REAL250004654240	0	32	-1.0	-39.01	280.08	4.09	-34.92
CC1=CN2N=C(N(C)CC(C)C3=NN=N[N-]3)SC2=N1	REAL250004654240	1	32	-1.0	-39.05	280.13	4.10	-34.95
CC(CN(C)C1=CC(Cl)=NC(N)=N1)C1=NN=N[N-]1	REAL250004654241	0	30	-1.0	-35.95	264.64	3.15	-32.80
CC(CN(C)C1=CC(Cl)=NC(N)=N1)C1=N[N-]N=N1	REAL250004654241	1	30	-1.0	-35.94	264.59	3.14	-32.80
CC(CN(C)C1=NC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004654242	0	31	-1.0	-39.18	277.70	5.70	-33.48
CC(CN(C)C1=NC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004654242	1	31	-1.0	-39.17	277.64	5.69	-33.48
CC1=NN=C(N(C)CC(C)C2=N[N-]N=N2)C(C#N)=C1C	REAL250004654243	0	35	-1.0	-43.84	299.23	3.27	-40.57
CC1=NN=C(N(C)CC(C)C2=NN=N[N-]2)C(C#N)=C1C	REAL250004654243	1	35	-1.0	-43.84	299.29	3.28	-40.56
CC(CN(C)C1=NC=C([N+](=O)[O-])C(N)=N1)C1=NN=N[N-]1	REAL250004654244	0	32	-1.0	-38.81	276.66	4.29	-34.52
CC(CN(C)C1=NC=C([N+](=O)[O-])C(N)=N1)C1=N[N-]N=N1	REAL250004654244	1	32	-1.0	-38.78	276.60	4.27	-34.51
CC(CN(C)C1=C(C#N)C(Cl)=NS1)C1=NN=N[N-]1	REAL250004654245	0	27	-1.0	-33.35	265.74	2.05	-31.30
CC(CN(C)C1=C(C#N)C(Cl)=NS1)C1=N[N-]N=N1	REAL250004654245	1	27	-1.0	-33.37	265.68	2.04	-31.33
CC1=NN(C)C(N(C)CC(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654246	0	35	-1.0	-43.75	298.27	3.39	-40.36
CC1=NN(C)C(N(C)CC(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654246	1	35	-1.0	-43.74	298.32	3.41	-40.33
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654247	0	35	-1.0	-39.80	287.33	5.69	-34.11
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654247	1	35	-1.0	-39.79	287.38	5.70	-34.09
CCC1=NC2=NC=NN2C(N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004654248	0	37	-1.0	-37.81	295.79	8.06	-29.75
CCC1=NC2=NC=NN2C(N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004654248	1	37	-1.0	-37.80	295.73	8.04	-29.76
CC(CN(C)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL250004654249	0	33	-1.0	-42.31	296.51	0.30	-42.01
CC(CN(C)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL250004654249	1	33	-1.0	-42.30	296.44	0.29	-42.01
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654250	0	31	-1.0	-54.89	269.31	4.27	-50.62
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654250	1	31	-1.0	-54.86	269.25	4.26	-50.60
CC(CN(C)C1=NC=NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL250004654251	0	34	-1.0	-40.85	291.91	5.05	-35.80
CC(CN(C)C1=NC=NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL250004654251	1	34	-1.0	-40.87	291.86	5.03	-35.84
CC1=CC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C2C=C1	REAL250004654252	0	37	-1.0	-43.21	306.84	5.63	-37.58
CC1=CC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C2C=C1	REAL250004654252	1	37	-1.0	-43.27	306.79	5.62	-37.65
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL250004654253	0	37	-1.0	-42.69	304.55	3.84	-38.85
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL250004654253	1	37	-1.0	-42.69	304.49	3.82	-38.87
CC(CN(C)C1=NC=NC2=CC=CC(F)=C21)C1=NN=N[N-]1	REAL250004654254	0	34	-1.0	-44.45	290.93	5.39	-39.06
CC(CN(C)C1=NC=NC2=CC=CC(F)=C21)C1=N[N-]N=N1	REAL250004654254	1	34	-1.0	-44.41	290.87	5.38	-39.03
CC(CN(C)C1=C(F)C=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004654255	0	32	-1.0	-36.93	284.70	4.48	-32.45
CC(CN(C)C1=C(F)C=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004654255	1	32	-1.0	-36.94	284.75	4.50	-32.44
CC(CN(C)C1=NC=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004654256	0	30	-1.0	-38.42	266.28	5.34	-33.08
CC(CN(C)C1=NC=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004654256	1	30	-1.0	-38.38	266.22	5.32	-33.06
CC1=NC([N+](=O)[O-])=C(N(C)CC(C)C2=N[N-]N=N2)N1C	REAL250004654257	0	35	-1.0	-44.17	292.87	5.19	-38.98
CC1=NC([N+](=O)[O-])=C(N(C)CC(C)C2=NN=N[N-]2)N1C	REAL250004654257	1	35	-1.0	-44.17	292.92	5.20	-38.97
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004654258	0	31	-1.0	-35.48	268.81	4.62	-30.86
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004654258	1	31	-1.0	-35.48	268.75	4.61	-30.87
CC(CN(C)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL250004654259	0	33	-1.0	-41.04	273.34	2.84	-38.20
CC(CN(C)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL250004654259	1	33	-1.0	-41.03	273.28	2.83	-38.20
CC(CN(C)C1=CC=C(Cl)C(C#N)=N1)C1=NN=N[N-]1	REAL250004654260	0	30	-1.0	-34.38	276.83	4.67	-29.71
CC(CN(C)C1=CC=C(Cl)C(C#N)=N1)C1=N[N-]N=N1	REAL250004654260	1	30	-1.0	-34.40	276.78	4.66	-29.74
CC(CN(C)C1=NC=NC2=C1CCC2)C1=N[N-]N=N1	REAL250004654261	0	35	-1.0	-43.61	278.54	4.49	-39.12
CC(CN(C)C1=NC=NC2=C1CCC2)C1=NN=N[N-]1	REAL250004654261	1	35	-1.0	-43.59	278.60	4.50	-39.09
CC(CN(C)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL250004654262	0	30	-1.0	-38.95	282.75	3.93	-35.02
CC(CN(C)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL250004654262	1	30	-1.0	-38.97	282.69	3.92	-35.05
CC1=NC(C)=C(F)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654263	0	34	-1.0	-43.46	284.07	3.24	-40.22
CC1=NC(C)=C(F)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654263	1	34	-1.0	-43.46	284.13	3.26	-40.20
CC(CN(C)C1=C2N=CN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004654264	0	34	-1.0	-51.14	284.82	5.22	-45.92
CC(CN(C)C1=C2N=CN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004654264	1	34	-1.0	-51.11	284.76	5.20	-45.91
CCN1C=NC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C21	REAL250004654265	0	37	-1.0	-46.75	305.86	6.26	-40.49
CCN1C=NC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C21	REAL250004654265	1	37	-1.0	-46.67	305.80	6.24	-40.43
CC1=NC(Cl)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654266	0	31	-1.0	-36.94	274.14	4.13	-32.81
CC1=NC(Cl)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654266	1	31	-1.0	-36.90	274.20	4.14	-32.76
CC(CN(C)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL250004654267	0	32	-1.0	-46.27	265.05	4.08	-42.19
CC(CN(C)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL250004654267	1	32	-1.0	-46.31	265.11	4.09	-42.22
CC1=CC([N+](=O)[O-])=CN=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654268	0	34	-1.0	-40.57	295.23	4.64	-35.93
CC1=CC([N+](=O)[O-])=CN=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654268	1	34	-1.0	-40.58	295.17	4.63	-35.95
CC(CN(C)C1=NC2=C(C=NN2C)C(=O)N1)C1=NN=N[N-]1	REAL250004654269	0	35	-1.0	-40.63	293.50	3.95	-36.68
CC(CN(C)C1=NC2=C(C=NN2C)C(=O)N1)C1=N[N-]N=N1	REAL250004654269	1	35	-1.0	-40.59	293.45	3.93	-36.66
CC(CN(C)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004654270	0	38	-1.0	-37.71	310.63	6.64	-31.07
CC(CN(C)C1=CC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004654270	1	38	-1.0	-37.66	310.58	6.63	-31.03
CC(C)C1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654271	0	37	-1.0	-35.83	295.73	4.51	-31.32
CC(C)C1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654271	1	37	-1.0	-35.82	295.78	4.52	-31.30
CC(C)C1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654272	0	37	-1.0	-35.32	292.75	5.20	-30.12
CC(C)C1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654272	1	37	-1.0	-35.36	292.81	5.22	-30.14
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004654273	0	32	-1.0	-44.89	279.78	5.38	-39.51
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004654273	1	32	-1.0	-44.90	279.72	5.36	-39.54
CC(CN(C)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004654274	0	28	-1.0	-38.99	259.12	5.29	-33.70
CC(CN(C)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004654274	1	28	-1.0	-38.94	259.07	5.28	-33.66
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(C2CC2)=N1	REAL250004654275	0	38	-1.0	-36.49	306.42	5.60	-30.89
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C2CC2)=N1	REAL250004654275	1	38	-1.0	-36.49	306.48	5.61	-30.88
COC1=CC(C)=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654276	0	35	-1.0	-41.20	291.59	3.91	-37.29
COC1=CC(C)=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654276	1	35	-1.0	-41.17	291.65	3.93	-37.24
CC1=NC2=NC=NN2C(N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL250004654277	0	37	-1.0	-49.21	300.73	7.67	-41.54
CC1=NC2=NC=NN2C(N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL250004654277	1	37	-1.0	-49.23	300.67	7.66	-41.57
COCC1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654278	0	38	-1.0	-38.50	312.56	3.29	-35.21
COCC1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654278	1	38	-1.0	-38.52	312.61	3.30	-35.22
CC(CN(C)C1=NC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL250004654279	0	32	-1.0	-37.11	277.69	2.59	-34.52
CC(CN(C)C1=NC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL250004654279	1	32	-1.0	-37.12	277.63	2.57	-34.55
CC1=CC=C2OC(N(C)CC(C)C3=NN=N[N-]3)=NC2=C1	REAL250004654280	0	35	-1.0	-39.95	292.66	3.19	-36.76
CC1=CC=C2OC(N(C)CC(C)C3=N[N-]N=N3)=NC2=C1	REAL250004654280	1	35	-1.0	-39.91	292.60	3.18	-36.73
CC(CN(C)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL250004654281	0	34	-1.0	-38.74	278.67	3.66	-35.08
CC(CN(C)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL250004654281	1	34	-1.0	-38.75	278.61	3.64	-35.11
CCC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(C)=N1	REAL250004654282	1	37	-1.0	-37.21	299.72	5.10	-32.11
CCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C)=N1	REAL250004654282	1	37	-1.0	-37.27	299.78	5.12	-32.15
CC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654283	0	34	-1.0	-54.44	294.45	4.32	-50.12
CC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654283	1	34	-1.0	-54.45	294.49	4.34	-50.11
CC(CN(C)C1=NC=CN2C=NN=C12)C1=NN=N[N-]1	REAL250004654284	0	31	-1.0	-42.93	259.34	5.55	-37.38
CC(CN(C)C1=NC=CN2C=NN=C12)C1=N[N-]N=N1	REAL250004654284	1	31	-1.0	-42.94	259.29	5.53	-37.41
CC(CN(C)C1=C(C#N)N=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004654285	0	35	-1.0	-46.86	296.79	3.20	-43.66
CC(CN(C)C1=C(C#N)N=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004654285	1	35	-1.0	-46.86	296.73	3.18	-43.68
CC(CN(C)C1=CC(N2C=CN=C2)=NC=N1)C1=N[N-]N=N1	REAL250004654286	0	35	-1.0	-39.34	293.84	7.24	-32.10
CC(CN(C)C1=CC(N2C=CN=C2)=NC=N1)C1=NN=N[N-]1	REAL250004654286	1	35	-1.0	-39.40	293.90	7.25	-32.15
CC1=NN=C2C(N(C)CC(C)C3=NN=N[N-]3)=NC=CN12	REAL250004654287	0	34	-1.0	-44.11	282.01	5.26	-38.85
CC1=NN=C2C(N(C)CC(C)C3=N[N-]N=N3)=NC=CN12	REAL250004654287	1	34	-1.0	-44.13	281.95	5.24	-38.89
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004654288	0	31	-1.0	-37.57	290.61	4.18	-33.39
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004654288	1	31	-1.0	-37.55	290.55	4.17	-33.38
CC1=CN=C(N(C)CC(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654289	0	34	-1.0	-53.47	291.69	5.01	-48.46
CC1=CN=C(N(C)CC(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654289	1	34	-1.0	-53.48	291.64	4.98	-48.50
CCC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654290	0	31	-1.0	-37.96	271.49	3.71	-34.25
CCC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654290	1	31	-1.0	-37.99	271.55	3.72	-34.27
CC1=NC(C)=C(C)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654291	0	37	-1.0	-40.57	301.83	3.95	-36.62
CC1=NC(C)=C(C)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654291	1	37	-1.0	-40.55	301.89	3.96	-36.59
CC1=CC=CC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654292	0	37	-1.0	-39.24	296.73	6.39	-32.85
CC1=CC=CC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004654292	1	37	-1.0	-39.18	296.67	6.37	-32.81
CC(C)C1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654293	0	34	-1.0	-37.98	291.88	4.23	-33.75
CC(C)C1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654293	1	34	-1.0	-37.96	291.94	4.25	-33.71
CC(CN(C)C1=NC(C2CC2)=NS1)C1=N[N-]N=N1	REAL250004654294	0	32	-1.0	-38.30	280.67	4.72	-33.58
CC(CN(C)C1=NC(C2CC2)=NS1)C1=NN=N[N-]1	REAL250004654294	1	32	-1.0	-38.31	280.73	4.74	-33.57
CC(CN(C)C1=CC=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004654295	0	40	-1.0	-35.87	314.37	5.29	-30.58
CC(CN(C)C1=CC=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004654295	1	40	-1.0	-35.84	314.42	5.31	-30.53
COCCC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654296	0	35	-1.0	-37.53	305.17	2.78	-34.75
COCCC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654296	1	35	-1.0	-37.53	305.22	2.79	-34.74
CC(CN(C)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004654297	0	28	-1.0	-39.10	254.55	5.19	-33.91
CC(CN(C)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004654297	1	28	-1.0	-39.07	254.49	5.17	-33.90
CC(CN(C)C1=NC=CN2N=NN=C12)C1=NN=N[N-]1	REAL250004654298	0	30	-1.0	-39.30	254.01	2.41	-36.89
CC(CN(C)C1=NC=CN2N=NN=C12)C1=N[N-]N=N1	REAL250004654298	1	30	-1.0	-39.30	253.96	2.39	-36.91
CC1=NC2=C(CCCC2)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654299	0	41	-1.0	-41.77	324.22	5.31	-36.46
CC1=NC2=C(CCCC2)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654299	1	41	-1.0	-41.78	324.27	5.33	-36.45
CC(CN(C)C1=CC([N+](=O)[O-])=CC=C1C#N)C1=N[N-]N=N1	REAL250004654300	0	33	-1.0	-42.33	296.30	5.09	-37.24
CC(CN(C)C1=CC([N+](=O)[O-])=CC=C1C#N)C1=NN=N[N-]1	REAL250004654300	1	33	-1.0	-42.38	296.36	5.10	-37.28
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1[N+](=O)[O-]	REAL250004654301	0	34	-1.0	-35.13	287.67	5.22	-29.91
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1[N+](=O)[O-]	REAL250004654301	1	34	-1.0	-35.15	287.73	5.24	-29.91
COC1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654302	0	35	-1.0	-37.61	289.23	1.16	-36.45
COC1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654302	1	35	-1.0	-37.65	289.28	1.17	-36.48
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1[N+](=O)[O-]	REAL250004654303	0	34	-1.0	-35.13	287.67	5.22	-29.91
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1[N+](=O)[O-]	REAL250004654303	1	34	-1.0	-35.15	287.73	5.24	-29.91
CC(CN(C)C1=C(F)C(F)=NC(F)=C1F)C1=NN=N[N-]1	REAL250004654304	0	29	-1.0	-35.01	264.62	1.90	-33.11
CC(CN(C)C1=C(F)C(F)=NC(F)=C1F)C1=N[N-]N=N1	REAL250004654304	1	29	-1.0	-35.02	264.57	1.89	-33.13
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654305	0	31	-1.0	-54.89	269.31	4.27	-50.62
CC(CN(C)C1=NC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654305	1	31	-1.0	-54.86	269.25	4.26	-50.60
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654306	0	34	-1.0	-35.69	285.00	5.08	-30.61
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654306	1	34	-1.0	-35.71	285.05	5.10	-30.61
CC1=CC=C([N+](=O)[O-])C(N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004654307	0	35	-1.0	-40.52	291.35	5.87	-34.65
CC1=CC=C([N+](=O)[O-])C(N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004654307	1	35	-1.0	-40.53	291.28	5.86	-34.67
CC1=CC=C([N+](=O)[O-])C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654308	0	34	-1.0	-44.37	288.35	5.10	-39.27
CC1=CC=C([N+](=O)[O-])C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654308	1	34	-1.0	-44.35	288.40	5.11	-39.24
CC(CN(C)C1=NC=NC=C1Br)C1=NN=N[N-]1	REAL250004654309	0	28	-1.0	-38.52	261.35	3.37	-35.15
CC(CN(C)C1=NC=NC=C1Br)C1=N[N-]N=N1	REAL250004654309	1	28	-1.0	-38.51	261.29	3.35	-35.16
CC(CN(C)C1=NC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL250004654310	0	29	-1.0	-34.07	269.89	3.57	-30.50
CC(CN(C)C1=NC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL250004654310	1	29	-1.0	-34.08	269.83	3.55	-30.53
CC(CN(C)C1=NC=CC(C#N)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654311	0	32	-1.0	-56.21	294.61	4.01	-52.20
CC(CN(C)C1=NC=CC(C#N)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654311	1	32	-1.0	-56.25	294.55	4.00	-52.25
CC(CN(C)C1=NC=NC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004654312	0	38	-1.0	-44.49	316.60	6.88	-37.61
CC(CN(C)C1=NC=NC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004654312	1	38	-1.0	-44.48	316.53	6.87	-37.61
CC(CN(C)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004654313	0	28	-1.0	-38.99	259.12	5.29	-33.70
CC(CN(C)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004654313	1	28	-1.0	-38.94	259.07	5.28	-33.66
CC(CN(C)C1=NC=NC2=C1CCCC2)C1=N[N-]N=N1	REAL250004654314	0	38	-1.0	-41.29	302.42	5.35	-35.94
CC(CN(C)C1=NC=NC2=C1CCCC2)C1=NN=N[N-]1	REAL250004654314	1	38	-1.0	-41.30	302.48	5.36	-35.94
CCC1=NN(C)C(N(C)CC(C)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004654315	0	38	-1.0	-43.71	319.79	4.12	-39.59
CCC1=NN(C)C(N(C)CC(C)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004654315	1	38	-1.0	-43.71	319.85	4.14	-39.57
CC1=CC=C(N(C)CC(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654316	0	35	-1.0	-41.42	292.03	6.12	-35.30
CC1=CC=C(N(C)CC(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654316	1	35	-1.0	-41.41	291.97	6.10	-35.31
CC(CN(C)C1=C([N+](=O)[O-])C=CS1)C1=N[N-]N=N1	REAL250004654317	0	29	-1.0	-39.90	266.86	4.28	-35.62
CC(CN(C)C1=C([N+](=O)[O-])C=CS1)C1=NN=N[N-]1	REAL250004654317	1	29	-1.0	-39.91	266.91	4.29	-35.62
CC(CN(C)C1=NC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654318	0	31	-1.0	-37.89	286.87	4.93	-32.96
CC(CN(C)C1=NC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654318	1	31	-1.0	-37.88	286.80	4.91	-32.97
COCC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654319	0	35	-1.0	-37.58	285.62	3.18	-34.40
COCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654319	1	35	-1.0	-37.64	285.67	3.20	-34.44
CC(CN(C)C1=NC(C2CC2)=NC2=C1CCC2)C1=N[N-]N=N1	REAL250004654320	0	42	-1.0	-45.67	331.71	6.02	-39.65
CC(CN(C)C1=NC(C2CC2)=NC2=C1CCC2)C1=NN=N[N-]1	REAL250004654320	1	42	-1.0	-45.68	331.76	6.04	-39.64
CC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=C1C#N	REAL250004654321	0	33	-1.0	-43.15	285.44	3.90	-39.25
CC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=C1C#N	REAL250004654321	1	33	-1.0	-43.18	285.38	3.88	-39.30
COCC1=NC(OC)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654322	0	39	-1.0	-40.46	323.20	1.14	-39.32
COCC1=NC(OC)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654322	1	39	-1.0	-40.44	323.26	1.15	-39.29
CCC1=CC(C)=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654323	0	37	-1.0	-42.61	301.79	6.70	-35.91
CCC1=CC(C)=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654323	1	37	-1.0	-42.58	301.85	6.71	-35.87
CCN1C=CN=C(N(C)CC(C)C2=NN=N[N-]2)C1=O	REAL250004654324	0	35	-1.0	-43.27	285.95	3.85	-39.42
CCN1C=CN=C(N(C)CC(C)C2=N[N-]N=N2)C1=O	REAL250004654324	1	35	-1.0	-43.33	285.89	3.83	-39.50
COC1=CC=CC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654325	0	38	-1.0	-45.01	309.08	5.45	-39.56
COC1=CC=CC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004654325	1	38	-1.0	-45.04	309.04	5.43	-39.61
CC1=CC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C2S1	REAL250004654326	0	34	-1.0	-43.59	291.96	4.62	-38.97
CC1=CC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C2S1	REAL250004654326	1	34	-1.0	-43.54	291.91	4.60	-38.94
CCC1=NC=NC(N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004654327	0	34	-1.0	-42.64	283.73	4.04	-38.60
CCC1=NC=NC(N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004654327	1	34	-1.0	-42.69	283.79	4.05	-38.64
CC(CN(C)C1=CC=C(C#N)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654328	0	33	-1.0	-40.56	291.16	5.84	-34.72
CC(CN(C)C1=CC=C(C#N)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654328	1	33	-1.0	-40.54	291.21	5.86	-34.68
CC(CN(C)C1=CC(Cl)=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004654329	0	35	-1.0	-35.48	301.69	5.41	-30.07
CC(CN(C)C1=CC(Cl)=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004654329	1	35	-1.0	-35.52	301.74	5.43	-30.09
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=NN=N[N-]1	REAL250004654330	0	31	-1.0	-34.46	272.38	3.38	-31.08
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=N[N-]N=N1	REAL250004654330	1	31	-1.0	-34.45	272.32	3.36	-31.09
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=N[N-]N=N1	REAL250004654331	0	33	-1.0	-38.35	296.32	5.09	-33.26
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=NN=N[N-]1	REAL250004654331	1	33	-1.0	-38.37	296.37	5.10	-33.27
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=NN=N[N-]1	REAL250004654332	0	31	-1.0	-34.46	272.38	3.38	-31.08
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=N[N-]N=N1	REAL250004654332	1	31	-1.0	-34.45	272.32	3.36	-31.09
CC(CN(C)C1=CC(C#N)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654333	0	33	-1.0	-41.73	291.33	5.86	-35.87
CC(CN(C)C1=CC(C#N)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654333	1	33	-1.0	-41.74	291.28	5.84	-35.90
CC(CN(C)C1=CC=C(S(C)(=O)=O)C=N1)C1=NN=N[N-]1	REAL250004654334	0	35	-1.0	-44.49	301.31	1.46	-43.03
CC(CN(C)C1=CC=C(S(C)(=O)=O)C=N1)C1=N[N-]N=N1	REAL250004654334	1	35	-1.0	-44.53	301.25	1.44	-43.09
CC(CN(C)C1=NC(C(C)(C)C)=CC=C1C#N)C1=NN=N[N-]1	REAL250004654335	0	42	-1.0	-48.37	341.48	5.78	-42.59
CC(CN(C)C1=NC(C(C)(C)C)=CC=C1C#N)C1=N[N-]N=N1	REAL250004654335	1	42	-1.0	-48.33	341.42	5.76	-42.57
CCOC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654336	0	35	-1.0	-37.51	285.32	2.78	-34.73
CCOC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654336	1	35	-1.0	-37.50	285.26	2.76	-34.74
CC1=C(Cl)C=NC(N(C)CC(C)C2=N[N-]N=N2)=C1C#N	REAL250004654337	0	33	-1.0	-38.66	300.81	4.38	-34.28
CC1=C(Cl)C=NC(N(C)CC(C)C2=NN=N[N-]2)=C1C#N	REAL250004654337	1	33	-1.0	-38.67	300.87	4.39	-34.28
CC(CN(C)C1=CC=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004654338	0	40	-1.0	-35.87	314.37	5.29	-30.58
CC(CN(C)C1=CC=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004654338	1	40	-1.0	-35.84	314.42	5.31	-30.53
CC(CN(C)C1=NC(Cl)=C(C#N)S1)C1=NN=N[N-]1	REAL250004654339	0	27	-1.0	-39.09	269.71	3.97	-35.12
CC(CN(C)C1=NC(Cl)=C(C#N)S1)C1=N[N-]N=N1	REAL250004654339	1	27	-1.0	-39.10	269.65	3.95	-35.15
CC(CN(C)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654340	0	32	-1.0	-38.64	287.29	5.96	-32.68
CC(CN(C)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654340	1	32	-1.0	-38.70	287.35	5.97	-32.73
CC1=CSC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C12	REAL250004654341	0	34	-1.0	-44.51	292.30	4.43	-40.08
CC1=CSC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C12	REAL250004654341	1	34	-1.0	-44.46	292.24	4.42	-40.04
CC(CN(C)C1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004654342	0	32	-1.0	-34.98	279.33	4.92	-30.06
CC(CN(C)C1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004654342	1	32	-1.0	-34.96	279.27	4.91	-30.05
CC(CN(C)C1=NC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL250004654343	0	28	-1.0	-40.32	262.77	3.80	-36.52
CC(CN(C)C1=NC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL250004654343	1	28	-1.0	-40.34	262.71	3.79	-36.55
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654344	0	34	-1.0	-35.69	285.00	5.08	-30.61
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654344	1	34	-1.0	-35.71	285.05	5.10	-30.61
CCOC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004654345	0	37	-1.0	-36.39	309.75	3.13	-33.26
CCOC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004654345	1	37	-1.0	-36.38	309.69	3.11	-33.27
CC(CN(C)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL250004654346	0	28	-1.0	-38.86	256.87	3.21	-35.65
CC(CN(C)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL250004654346	1	28	-1.0	-38.83	256.81	3.19	-35.64
CCC1=NN=C(N(C)CC(C)C2=N[N-]N=N2)N=C1CC	REAL250004654347	0	39	-1.0	-46.53	313.00	5.94	-40.59
CCC1=NN=C(N(C)CC(C)C2=NN=N[N-]2)N=C1CC	REAL250004654347	1	39	-1.0	-46.55	313.06	5.96	-40.59
CC(CN(C)C1=C(C#N)C=CC=C1C#N)C1=NN=N[N-]1	REAL250004654348	0	32	-1.0	-48.54	281.02	4.32	-44.22
CC(CN(C)C1=C(C#N)C=CC=C1C#N)C1=N[N-]N=N1	REAL250004654348	1	32	-1.0	-48.55	280.97	4.31	-44.24
CC(CN(C)C1=NC(C(C)(C)C)=NS1)C1=NN=N[N-]1	REAL250004654349	0	37	-1.0	-38.31	310.84	4.90	-33.41
CC(CN(C)C1=NC(C(C)(C)C)=NS1)C1=N[N-]N=N1	REAL250004654349	1	37	-1.0	-38.33	310.78	4.88	-33.45
COC(=O)C1=CN=CN=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654350	0	34	-1.0	-42.00	291.19	4.08	-37.92
COC(=O)C1=CN=CN=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654350	1	34	-1.0	-42.01	291.13	4.06	-37.95
CC(CN(C)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL250004654351	0	31	-1.0	-43.09	270.08	4.23	-38.86
CC(CN(C)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL250004654351	1	31	-1.0	-43.05	270.04	4.21	-38.84
CCOC(=O)C1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654352	0	37	-1.0	-37.99	309.62	4.32	-33.67
CCOC(=O)C1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654352	1	37	-1.0	-37.97	309.57	4.30	-33.67
COC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004654353	0	34	-1.0	-40.05	292.75	5.34	-34.71
COC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004654353	1	34	-1.0	-40.00	292.69	5.33	-34.67
COC(=O)CC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654354	0	37	-1.0	-46.44	312.58	5.90	-40.54
COC(=O)CC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654354	1	37	-1.0	-46.42	312.64	5.92	-40.50
CC(CN(C)C1=NC2=C(F)C=CC=C2O1)C1=NN=N[N-]1	REAL250004654355	0	32	-1.0	-40.66	277.71	2.60	-38.06
CC(CN(C)C1=NC2=C(F)C=CC=C2O1)C1=N[N-]N=N1	REAL250004654355	1	32	-1.0	-40.64	277.66	2.58	-38.06
CC(CN(C)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004654356	0	34	-1.0	-42.45	282.73	3.89	-38.56
CC(CN(C)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004654356	1	34	-1.0	-42.43	282.68	3.88	-38.55
CC(CN(C)C1=NC(C(F)(F)F)=NS1)C1=NN=N[N-]1	REAL250004654357	0	28	-1.0	-34.64	269.18	3.44	-31.20
CC(CN(C)C1=NC(C(F)(F)F)=NS1)C1=N[N-]N=N1	REAL250004654357	1	28	-1.0	-34.64	269.12	3.43	-31.21
CC1=NN=C(N(C)CC(C)C2=N[N-]N=N2)C(C#N)=C1C	REAL250004654358	0	35	-1.0	-43.84	299.23	3.27	-40.57
CC1=NN=C(N(C)CC(C)C2=NN=N[N-]2)C(C#N)=C1C	REAL250004654358	1	35	-1.0	-43.84	299.29	3.28	-40.56
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(CO)=N1	REAL250004654359	0	35	-1.0	-39.69	290.30	0.89	-38.80
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(CO)=N1	REAL250004654359	1	35	-1.0	-39.73	290.36	0.90	-38.83
CC1=NOC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654360	0	33	-1.0	-40.59	279.95	2.05	-38.54
CC1=NOC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004654360	1	33	-1.0	-40.61	279.90	2.03	-38.58
CC1=C2SC(N(C)CC(C)C3=NN=N[N-]3)=NC2=CC=C1	REAL250004654361	0	35	-1.0	-42.02	299.97	6.02	-36.00
CC1=C2SC(N(C)CC(C)C3=N[N-]N=N3)=NC2=CC=C1	REAL250004654361	1	35	-1.0	-42.01	299.92	6.00	-36.01
CC(CN(C)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654362	0	32	-1.0	-39.43	287.28	5.96	-33.47
CC(CN(C)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654362	1	32	-1.0	-39.41	287.34	5.97	-33.44
COC(=O)C1=CC(C)=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654363	0	37	-1.0	-43.67	315.27	5.91	-37.76
COC(=O)C1=CC(C)=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654363	1	37	-1.0	-43.66	315.33	5.92	-37.74
CCN1N=C(C)C([N+](=O)[O-])=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654364	0	38	-1.0	-43.75	319.17	4.17	-39.58
CCN1N=C(C)C([N+](=O)[O-])=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654364	1	38	-1.0	-43.80	319.23	4.18	-39.62
CC(CN(C)C1=C(Cl)C=NC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654365	0	31	-1.0	-38.43	274.28	3.85	-34.58
CC(CN(C)C1=C(Cl)C=NC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654365	1	31	-1.0	-38.41	274.22	3.84	-34.57
CC(CN(C)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL250004654366	0	28	-1.0	-38.99	259.12	5.29	-33.70
CC(CN(C)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL250004654366	1	28	-1.0	-38.94	259.07	5.28	-33.66
COC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004654367	0	34	-1.0	-40.05	292.75	5.34	-34.71
COC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004654367	1	34	-1.0	-40.00	292.69	5.33	-34.67
CC(CN(C)C1=C(Cl)C=NC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654368	0	31	-1.0	-38.43	274.28	3.85	-34.58
CC(CN(C)C1=C(Cl)C=NC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654368	1	31	-1.0	-38.41	274.22	3.84	-34.57
CC(CN(C)C1=C[N+]([O-])=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654369	0	32	-1.0	-47.12	278.58	3.96	-43.16
CC(CN(C)C1=C[N+]([O-])=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654369	1	32	-1.0	-47.14	278.64	3.97	-43.17
CC1=CC=C(C#N)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654370	0	33	-1.0	-48.90	283.89	3.80	-45.10
CC1=CC=C(C#N)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654370	1	33	-1.0	-48.90	283.83	3.78	-45.12
CC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=C1C#N	REAL250004654371	0	30	-1.0	-35.16	269.69	2.17	-32.99
CC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=C1C#N	REAL250004654371	1	30	-1.0	-35.13	269.75	2.19	-32.94
CC(CN(C)C1=C(F)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654372	0	32	-1.0	-44.09	272.81	5.41	-38.68
CC(CN(C)C1=C(F)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654372	1	32	-1.0	-44.10	272.75	5.39	-38.71
CCC1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654373	1	37	-1.0	-37.25	300.39	4.93	-32.32
CCC1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654373	1	37	-1.0	-37.27	300.45	4.94	-32.33
CC(CN(C)C1=NC=NC2=CN=CC=C21)C1=NN=N[N-]1	REAL250004654374	0	33	-1.0	-41.07	277.06	3.07	-38.00
CC(CN(C)C1=NC=NC2=CN=CC=C21)C1=N[N-]N=N1	REAL250004654374	1	33	-1.0	-41.05	276.99	3.06	-37.99
CC(CN(C)C1=CC=CC(C#N)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654375	0	33	-1.0	-44.98	298.85	5.07	-39.91
CC(CN(C)C1=CC=CC(C#N)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654375	1	33	-1.0	-44.99	298.79	5.05	-39.94
CC1=NC(C#N)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654376	0	32	-1.0	-37.68	278.24	4.02	-33.66
CC1=NC(C#N)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654376	1	32	-1.0	-37.70	278.30	4.03	-33.67
CCC1=NC(C#N)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654377	0	35	-1.0	-37.44	299.74	4.62	-32.82
CCC1=NC(C#N)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654377	1	35	-1.0	-37.42	299.80	4.64	-32.78
CC1=CC(C#N)=CN=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654378	0	33	-1.0	-41.09	287.46	4.41	-36.68
CC1=CC(C#N)=CN=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654378	1	33	-1.0	-41.11	287.41	4.38	-36.73
CC1=C2OC(N(C)CC(C)C3=NN=N[N-]3)=NC2=CC=C1	REAL250004654379	0	35	-1.0	-42.18	292.50	3.65	-38.53
CC1=C2OC(N(C)CC(C)C3=N[N-]N=N3)=NC2=CC=C1	REAL250004654379	1	35	-1.0	-42.19	292.45	3.63	-38.56
CC(CN(C)C1=NN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL250004654380	0	28	-1.0	-38.92	269.59	3.02	-35.90
CC(CN(C)C1=NN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL250004654380	1	28	-1.0	-38.88	269.53	3.00	-35.88
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=NN=N[N-]1	REAL250004654381	0	31	-1.0	-34.46	272.38	3.38	-31.08
CC(CN(C)C1=CC=C(C(F)(F)F)N=N1)C1=N[N-]N=N1	REAL250004654381	1	31	-1.0	-34.45	272.32	3.36	-31.09
CC(CN(C)C1=NC2=CC=CC(F)=C2S1)C1=NN=N[N-]1	REAL250004654382	0	32	-1.0	-39.21	282.92	5.02	-34.19
CC(CN(C)C1=NC2=CC=CC(F)=C2S1)C1=N[N-]N=N1	REAL250004654382	1	32	-1.0	-39.25	282.87	5.01	-34.24
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=CC=C1C#N	REAL250004654383	0	33	-1.0	-35.91	280.46	4.80	-31.11
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=CC=C1C#N	REAL250004654383	1	33	-1.0	-35.93	280.51	4.82	-31.11
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=N[N-]N=N1	REAL250004654384	0	33	-1.0	-38.35	296.32	5.09	-33.26
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1C#N)C1=NN=N[N-]1	REAL250004654384	1	33	-1.0	-38.37	296.37	5.10	-33.27
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=C(F)C=C1[N+](=O)[O-]	REAL250004654385	0	35	-1.0	-36.39	301.15	5.16	-31.23
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL250004654385	1	35	-1.0	-36.41	301.21	5.17	-31.24
CC(CN(C)C1=NC(C#N)=C(Cl)S1)C1=NN=N[N-]1	REAL250004654386	0	27	-1.0	-33.04	267.31	3.48	-29.56
CC(CN(C)C1=NC(C#N)=C(Cl)S1)C1=N[N-]N=N1	REAL250004654386	1	27	-1.0	-33.06	267.25	3.46	-29.60
CCCC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654387	0	34	-1.0	-37.74	292.99	4.48	-33.26
CCCC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654387	1	34	-1.0	-37.78	293.05	4.50	-33.28
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=C(Cl)C=C1C#N	REAL250004654388	0	33	-1.0	-38.56	302.21	4.38	-34.18
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=C(Cl)C=C1C#N	REAL250004654388	1	33	-1.0	-38.54	302.27	4.40	-34.14
CCCC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654389	0	34	-1.0	-37.74	292.99	4.48	-33.26
CCCC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654389	1	34	-1.0	-37.78	293.05	4.50	-33.28
CC(CN(C)C1=C2N=CN(C3CC3)C2=NC=N1)C1=NN=N[N-]1	REAL250004654390	0	38	-1.0	-50.44	314.09	6.60	-43.84
CC(CN(C)C1=C2N=CN(C3CC3)C2=NC=N1)C1=N[N-]N=N1	REAL250004654390	1	38	-1.0	-50.38	314.03	6.58	-43.80
COC(=O)C1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654391	0	34	-1.0	-38.14	287.76	3.40	-34.74
COC(=O)C1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654391	1	34	-1.0	-38.16	287.71	3.38	-34.78
CCOC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)S1	REAL250004654392	0	35	-1.0	-41.89	309.87	4.66	-37.23
CCOC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)S1	REAL250004654392	1	35	-1.0	-41.90	309.82	4.64	-37.26
CC(CN(C)C1=NN=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL250004654393	0	28	-1.0	-39.66	273.03	2.82	-36.84
CC(CN(C)C1=NN=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL250004654393	1	28	-1.0	-39.60	272.97	2.81	-36.79
CC(CN(C)C1=CC(C(C)(C)C)=NC=N1)C1=N[N-]N=N1	REAL250004654394	0	40	-1.0	-35.29	310.74	5.96	-29.33
CC(CN(C)C1=CC(C(C)(C)C)=NC=N1)C1=NN=N[N-]1	REAL250004654394	1	40	-1.0	-35.31	310.80	5.98	-29.33
CCN1C(C)=NC([N+](=O)[O-])=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654395	0	38	-1.0	-44.39	309.76	5.88	-38.51
CCN1C(C)=NC([N+](=O)[O-])=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654395	1	38	-1.0	-44.41	309.81	5.89	-38.52
CCOC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(C)=N1	REAL250004654396	0	38	-1.0	-37.94	308.41	2.71	-35.23
CCOC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C)=N1	REAL250004654396	1	38	-1.0	-37.92	308.47	2.73	-35.19
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004654397	0	31	-1.0	-37.92	274.23	4.06	-33.86
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004654397	1	31	-1.0	-37.90	274.17	4.05	-33.85
CC1=CSC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654398	0	34	-1.0	-42.57	289.33	5.33	-37.24
CC1=CSC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004654398	1	34	-1.0	-42.57	289.27	5.32	-37.25
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1C#N	REAL250004654399	0	33	-1.0	-35.94	280.48	4.87	-31.07
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1C#N	REAL250004654399	1	33	-1.0	-35.92	280.54	4.88	-31.04
CC(CN(C)C1=C2N=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004654400	0	33	-1.0	-46.81	280.36	2.25	-44.56
CC(CN(C)C1=C2N=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004654400	1	33	-1.0	-46.81	280.30	2.24	-44.57
CC(CN(C)C1=C2N=CSC2=NC=N1)C1=NN=N[N-]1	REAL250004654401	0	30	-1.0	-46.48	267.41	2.37	-44.11
CC(CN(C)C1=C2N=CSC2=NC=N1)C1=N[N-]N=N1	REAL250004654401	1	30	-1.0	-46.45	267.37	2.35	-44.10
COC(=O)C1=CC=C(N(C)CC(C)C2=NN=N[N-]2)N=N1	REAL250004654402	0	34	-1.0	-36.48	288.26	2.99	-33.49
COC(=O)C1=CC=C(N(C)CC(C)C2=N[N-]N=N2)N=N1	REAL250004654402	1	34	-1.0	-36.51	288.20	2.98	-33.53
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(C)=C1C#N	REAL250004654403	0	36	-1.0	-34.91	296.82	4.91	-30.00
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C)=C1C#N	REAL250004654403	1	36	-1.0	-34.96	296.87	4.93	-30.03
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=C([N+](=O)[O-])S1	REAL250004654404	0	32	-1.0	-40.69	288.30	5.02	-35.67
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C([N+](=O)[O-])S1	REAL250004654404	1	32	-1.0	-40.70	288.36	5.03	-35.67
CC(CN(C)C1=CC(C#N)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654406	0	33	-1.0	-41.73	291.33	5.86	-35.87
CC(CN(C)C1=CC(C#N)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654406	1	33	-1.0	-41.74	291.28	5.84	-35.90
CC(CN(C)C1=NC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL250004654407	0	30	-1.0	-39.27	266.63	3.80	-35.47
CC(CN(C)C1=NC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL250004654407	1	30	-1.0	-39.27	266.58	3.79	-35.48
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1[N+](=O)[O-]	REAL250004654408	0	33	-1.0	-38.65	282.63	5.79	-32.86
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1[N+](=O)[O-]	REAL250004654408	1	33	-1.0	-38.62	282.69	5.81	-32.81
CC(CN(C)C1=NC(C2CCCC2)=NS1)C1=N[N-]N=N1	REAL250004654409	0	38	-1.0	-38.28	314.72	5.48	-32.80
CC(CN(C)C1=NC(C2CCCC2)=NS1)C1=NN=N[N-]1	REAL250004654409	1	38	-1.0	-38.28	314.77	5.50	-32.78
CC(CN(C)C1=C(C#N)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654410	0	33	-1.0	-48.51	283.37	5.34	-43.17
CC(CN(C)C1=C(C#N)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654410	1	33	-1.0	-48.53	283.31	5.32	-43.21
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C(C#N)C=N1	REAL250004654411	0	33	-1.0	-38.37	284.45	3.21	-35.16
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=C(C#N)C=N1	REAL250004654411	1	33	-1.0	-38.39	284.39	3.20	-35.19
CC(CN(C)C1=CC(C(N)=O)=NC=N1)C1=NN=N[N-]1	REAL250004654412	0	32	-1.0	-41.94	268.36	0.20	-41.74
CC(CN(C)C1=CC(C(N)=O)=NC=N1)C1=N[N-]N=N1	REAL250004654412	1	32	-1.0	-41.90	268.31	0.18	-41.72
CC(CN(C)C1=NC=CN=C1C(N)=O)C1=NN=N[N-]1	REAL250004654413	0	32	-1.0	-44.86	271.75	-0.99	-45.85
CC(CN(C)C1=NC=CN=C1C(N)=O)C1=N[N-]N=N1	REAL250004654413	1	32	-1.0	-44.81	271.69	-1.00	-45.81
CC(CN(C)C1=NC2=CC=CC=C2N=C1F)C1=NN=N[N-]1	REAL250004654414	0	34	-1.0	-47.37	287.80	2.98	-44.39
CC(CN(C)C1=NC2=CC=CC=C2N=C1F)C1=N[N-]N=N1	REAL250004654414	1	34	-1.0	-47.36	287.75	2.96	-44.40
CC(CN(C)C1=C([N+](=O)[O-])SC(C#N)=C1)C1=N[N-]N=N1	REAL250004654415	0	30	-1.0	-38.52	287.75	4.77	-33.75
CC(CN(C)C1=C([N+](=O)[O-])SC(C#N)=C1)C1=NN=N[N-]1	REAL250004654415	1	30	-1.0	-38.56	287.81	4.79	-33.77
CCOC1=NC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1Cl	REAL250004654416	0	35	-1.0	-38.73	308.12	4.78	-33.95
CCOC1=NC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1Cl	REAL250004654416	1	35	-1.0	-38.70	308.06	4.76	-33.94
CC(CN(C)C1=C([N+](=O)[O-])C(=O)NC=C1)C1=N[N-]N=N1	REAL250004654417	0	32	-1.0	-63.81	273.95	3.66	-60.15
CC(CN(C)C1=C([N+](=O)[O-])C(=O)NC=C1)C1=NN=N[N-]1	REAL250004654417	1	32	-1.0	-63.79	274.00	3.68	-60.11
CC(CN(C)C1=NC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL250004654418	0	29	-1.0	-49.43	261.15	1.44	-47.99
CC(CN(C)C1=NC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL250004654418	1	29	-1.0	-49.39	261.21	1.46	-47.93
CC(CN(C)C1=NC(Cl)=CS1)C1=NN=N[N-]1	REAL250004654419	0	26	-1.0	-43.11	249.51	3.38	-39.73
CC(CN(C)C1=NC(Cl)=CS1)C1=N[N-]N=N1	REAL250004654419	1	26	-1.0	-43.10	249.46	3.37	-39.73
CCC1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654420	0	31	-1.0	-37.96	271.49	3.71	-34.25
CCC1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654420	1	31	-1.0	-37.99	271.55	3.72	-34.27
CC(CN(C)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL250004654421	0	29	-1.0	-43.26	266.44	3.61	-39.65
CC(CN(C)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL250004654421	1	29	-1.0	-43.25	266.50	3.63	-39.62
CC(CN(C)C1=NC2=NC=CC=C2C=C1C#N)C1=NN=N[N-]1	REAL250004654422	0	35	-1.0	-53.60	303.58	4.40	-49.20
CC(CN(C)C1=NC2=NC=CC=C2C=C1C#N)C1=N[N-]N=N1	REAL250004654422	1	35	-1.0	-53.60	303.52	4.39	-49.21
CC(CN(C)C1=NC(CC2CC2)=NS1)C1=N[N-]N=N1	REAL250004654423	0	35	-1.0	-38.02	303.11	5.26	-32.76
CC(CN(C)C1=NC(CC2CC2)=NS1)C1=NN=N[N-]1	REAL250004654423	1	35	-1.0	-38.04	303.17	5.27	-32.77
COC(=O)C1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654424	0	34	-1.0	-39.81	288.44	3.99	-35.82
COC(=O)C1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654424	1	34	-1.0	-39.83	288.38	3.98	-35.85
CC(CN(C)C1=CC(C(F)(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004654425	0	31	-1.0	-35.37	271.07	4.39	-30.98
CC(CN(C)C1=CC(C(F)(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004654425	1	31	-1.0	-35.39	271.01	4.38	-31.01
COC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL250004654426	0	34	-1.0	-37.76	291.04	2.69	-35.07
COC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL250004654426	1	34	-1.0	-37.76	290.98	2.68	-35.08
CC(CN(C)C1=CC(C2CC2)=NC=N1)C1=N[N-]N=N1	REAL250004654427	0	35	-1.0	-37.01	285.38	5.81	-31.20
CC(CN(C)C1=CC(C2CC2)=NC=N1)C1=NN=N[N-]1	REAL250004654427	1	35	-1.0	-37.04	285.44	5.83	-31.21
CC(C)CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654428	0	40	-1.0	-35.25	314.14	6.06	-29.19
CC(C)CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654428	1	40	-1.0	-35.24	314.20	6.08	-29.16
CCCCC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654429	0	40	-1.0	-35.19	316.57	6.33	-28.86
CCCCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654429	1	40	-1.0	-35.23	316.62	6.34	-28.89
CC(CN(C)C1=C2CCCC2=NC2=NC=NN21)C1=NN=N[N-]1	REAL250004654430	0	38	-1.0	-42.08	308.14	8.34	-33.74
CC(CN(C)C1=C2CCCC2=NC2=NC=NN21)C1=N[N-]N=N1	REAL250004654430	1	38	-1.0	-42.09	308.08	8.33	-33.76
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004654431	0	31	-1.0	-35.48	268.81	4.62	-30.86
CC(CN(C)C1=CC=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004654431	1	31	-1.0	-35.48	268.75	4.61	-30.87
CC(CN(C)C1=NC2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL250004654432	0	32	-1.0	-41.01	277.51	3.04	-37.97
CC(CN(C)C1=NC2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL250004654432	1	32	-1.0	-40.98	277.46	3.02	-37.96
CC(CN(C)C1=CC=CN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654433	0	31	-1.0	-45.31	265.10	4.84	-40.47
CC(CN(C)C1=CC=CN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654433	1	31	-1.0	-45.30	265.04	4.82	-40.48
COC(C)(C)C1=NSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654434	0	38	-1.0	-39.16	316.90	3.19	-35.97
COC(C)(C)C1=NSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654434	1	38	-1.0	-39.13	316.84	3.17	-35.96
CC(CN(C)C1=C([N+](=O)[O-])SC=C1)C1=N[N-]N=N1	REAL250004654435	0	29	-1.0	-41.04	266.42	4.21	-36.83
CC(CN(C)C1=C([N+](=O)[O-])SC=C1)C1=NN=N[N-]1	REAL250004654435	1	29	-1.0	-41.03	266.48	4.23	-36.80
CC(CN(C)C1=C2SC=CC2=C(C#N)C=N1)C1=NN=N[N-]1	REAL250004654436	0	33	-1.0	-40.86	295.85	4.57	-36.29
CC(CN(C)C1=C2SC=CC2=C(C#N)C=N1)C1=N[N-]N=N1	REAL250004654436	1	33	-1.0	-40.87	295.79	4.56	-36.31
CC1=CC(C#N)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654437	0	33	-1.0	-39.75	282.95	4.96	-34.79
CC1=CC(C#N)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654437	1	33	-1.0	-39.77	283.00	4.97	-34.80
CC(CN(C)C1=CC(C#N)=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL250004654438	0	36	-1.0	-37.58	308.76	5.70	-31.88
CC(CN(C)C1=CC(C#N)=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL250004654438	1	36	-1.0	-37.56	308.82	5.72	-31.84
CCC1=CSC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654439	0	32	-1.0	-35.74	272.51	3.87	-31.87
CCC1=CSC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654439	1	32	-1.0	-35.71	272.57	3.89	-31.82
CC(CN(C)C1=NC2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL250004654440	0	32	-1.0	-38.64	285.74	5.48	-33.16
CC(CN(C)C1=NC2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL250004654440	1	32	-1.0	-38.63	285.68	5.47	-33.16
CCCOC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654441	0	38	-1.0	-40.10	313.42	5.03	-35.07
CCCOC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654441	1	38	-1.0	-40.14	313.36	5.01	-35.13
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004654442	0	32	-1.0	-36.51	282.51	4.53	-31.98
CC(CN(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004654442	1	32	-1.0	-36.49	282.57	4.54	-31.95
CC(CN(C)C1=CC(C2=CC=CC=C2)=NC=N1)C1=NN=N[N-]1	REAL250004654443	0	38	-1.0	-38.97	312.62	7.42	-31.55
CC(CN(C)C1=CC(C2=CC=CC=C2)=NC=N1)C1=N[N-]N=N1	REAL250004654443	1	38	-1.0	-38.93	312.57	7.41	-31.52
CC(CN(C)C1=CC(Cl)=NNC1=O)C1=N[N-]N=N1	REAL250004654444	0	29	-1.0	-38.35	266.29	0.68	-37.67
CC(CN(C)C1=CC(Cl)=NNC1=O)C1=NN=N[N-]1	REAL250004654444	1	29	-1.0	-38.33	266.35	0.69	-37.64
CC(CN(C)C1=CC(Cl)=NNC1=O)C1=N[N-]N=N1	REAL250004654445	0	29	-1.0	-38.35	266.29	0.68	-37.67
CC(CN(C)C1=CC(Cl)=NNC1=O)C1=NN=N[N-]1	REAL250004654445	1	29	-1.0	-38.33	266.35	0.69	-37.64
CC1=NN2C(=N1)N=C(C)C=C2N(C)CC(C)C1=NN=N[N-]1	REAL250004654446	0	37	-1.0	-39.03	301.45	7.27	-31.76
CC1=NN2C(=N1)N=C(C)C=C2N(C)CC(C)C1=N[N-]N=N1	REAL250004654446	1	37	-1.0	-39.05	301.39	7.26	-31.79
CCC1=CNC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C12	REAL250004654447	0	38	-1.0	-46.04	305.44	5.13	-40.91
CCC1=CNC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654447	1	38	-1.0	-46.05	305.51	5.15	-40.90
CC(CN(C)C1=CC(C2CC2)=NC=N1)C1=N[N-]N=N1	REAL250004654448	0	35	-1.0	-37.01	285.38	5.81	-31.20
CC(CN(C)C1=CC(C2CC2)=NC=N1)C1=NN=N[N-]1	REAL250004654448	1	35	-1.0	-37.04	285.44	5.83	-31.21
CC(CN(C)C1=NC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL250004654449	0	37	-1.0	-41.95	312.37	9.32	-32.63
CC(CN(C)C1=NC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL250004654449	1	37	-1.0	-41.98	312.31	9.31	-32.67
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL250004654450	0	31	-1.0	-37.57	290.61	4.18	-33.39
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL250004654450	1	31	-1.0	-37.55	290.55	4.17	-33.38
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL250004654452	0	32	-1.0	-44.89	279.78	5.38	-39.51
CC(CN(C)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL250004654452	1	32	-1.0	-44.90	279.72	5.36	-39.54
COC(=O)C1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654453	0	34	-1.0	-39.56	292.83	5.00	-34.56
COC(=O)C1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654453	1	34	-1.0	-39.52	292.78	4.99	-34.53
CC(CN(C)C1=CC(C(C)(C)C)=NC=N1)C1=N[N-]N=N1	REAL250004654454	0	40	-1.0	-35.29	310.74	5.96	-29.33
CC(CN(C)C1=CC(C(C)(C)C)=NC=N1)C1=NN=N[N-]1	REAL250004654454	1	40	-1.0	-35.31	310.80	5.98	-29.33
CCC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(CC)=N1	REAL250004654455	1	40	-1.0	-37.15	321.22	5.72	-31.43
CCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(CC)=N1	REAL250004654455	1	40	-1.0	-37.18	321.27	5.73	-31.45
COC(=O)C1=CN=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654456	0	34	-1.0	-35.91	288.05	2.19	-33.72
COC(=O)C1=CN=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654456	1	34	-1.0	-35.92	287.99	2.18	-33.74
CC(CN(C)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL250004654457	0	31	-1.0	-36.64	264.47	4.25	-32.39
CC(CN(C)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL250004654457	1	31	-1.0	-36.66	264.52	4.27	-32.39
COCC1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654458	0	35	-1.0	-37.37	286.56	2.28	-35.09
COCC1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654458	1	35	-1.0	-37.35	286.62	2.29	-35.06
CCOCC1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654459	0	41	-1.0	-37.55	331.41	3.86	-33.69
CCOCC1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654459	1	41	-1.0	-37.53	331.47	3.88	-33.65
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(C2CCC2)=N1	REAL250004654460	0	41	-1.0	-36.06	322.87	6.03	-30.03
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C2CCC2)=N1	REAL250004654460	1	41	-1.0	-36.12	322.93	6.05	-30.07
CC(CN(C)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL250004654461	0	32	-1.0	-39.44	271.25	2.82	-36.62
CC(CN(C)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL250004654461	1	32	-1.0	-39.45	271.19	2.81	-36.64
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL250004654462	0	31	-1.0	-37.92	274.23	4.06	-33.86
CC(CN(C)C1=NC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL250004654462	1	31	-1.0	-37.90	274.17	4.05	-33.85
CC(CN(C)C1=CN=CC(Br)=N1)C1=NN=N[N-]1	REAL250004654463	0	28	-1.0	-34.41	253.75	2.10	-32.31
CC(CN(C)C1=CN=CC(Br)=N1)C1=N[N-]N=N1	REAL250004654463	1	28	-1.0	-34.35	253.70	2.08	-32.27
CC(CN(C)C1=CN=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004654464	0	28	-1.0	-36.72	252.35	2.51	-34.21
CC(CN(C)C1=CN=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004654464	1	28	-1.0	-36.70	252.29	2.50	-34.20
CC(CN(C)C1=NC(C#N)=CC=C1Cl)C1=NN=N[N-]1	REAL250004654465	0	30	-1.0	-42.68	278.91	3.71	-38.97
CC(CN(C)C1=NC(C#N)=CC=C1Cl)C1=N[N-]N=N1	REAL250004654465	1	30	-1.0	-42.70	278.85	3.68	-39.02
CC1=CC(F)=C(C#N)C(N(C)CC(C)C2=NN=N[N-]2)=C1	REAL250004654466	0	34	-1.0	-39.95	295.50	5.14	-34.81
CC1=CC(F)=C(C#N)C(N(C)CC(C)C2=N[N-]N=N2)=C1	REAL250004654466	1	34	-1.0	-39.95	295.44	5.12	-34.83
CC(CN(C)C1=NC(N)=NC(Cl)=C1N)C1=NN=N[N-]1	REAL250004654467	0	32	-1.0	-39.48	282.11	0.71	-38.77
CC(CN(C)C1=NC(N)=NC(Cl)=C1N)C1=N[N-]N=N1	REAL250004654467	1	32	-1.0	-39.48	282.05	0.69	-38.79
CC(CN(C)C1=NC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654468	0	31	-1.0	-37.89	286.87	4.93	-32.96
CC(CN(C)C1=NC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654468	1	31	-1.0	-37.88	286.80	4.91	-32.97
COC1=CC=CC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C12	REAL250004654469	0	38	-1.0	-44.09	315.70	4.31	-39.78
COC1=CC=CC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C12	REAL250004654469	1	38	-1.0	-44.08	315.64	4.28	-39.80
CC(CN(C)C1=CC=NC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL250004654470	0	34	-1.0	-42.80	293.60	-2.42	-45.22
CC(CN(C)C1=CC=NC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL250004654470	1	34	-1.0	-42.78	293.54	-2.43	-45.21
CCOC1=NC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1C	REAL250004654471	0	38	-1.0	-40.64	312.24	4.96	-35.68
CCOC1=NC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1C	REAL250004654471	1	38	-1.0	-40.67	312.18	4.94	-35.73
CC(CN(C)C1=NC(N)=NC(Cl)=N1)C1=NN=N[N-]1	REAL250004654472	0	29	-1.0	-40.98	264.89	5.29	-35.69
CC(CN(C)C1=NC(N)=NC(Cl)=N1)C1=N[N-]N=N1	REAL250004654472	1	29	-1.0	-40.99	264.83	5.27	-35.72
CC(CN(C)C1=NC2=CC=C(F)C=C2O1)C1=NN=N[N-]1	REAL250004654473	0	32	-1.0	-38.22	277.51	3.04	-35.18
CC(CN(C)C1=NC2=CC=C(F)C=C2O1)C1=N[N-]N=N1	REAL250004654473	1	32	-1.0	-38.28	277.45	3.02	-35.26
CC(CN(C)C1=NC=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL250004654474	0	39	-1.0	-40.21	314.93	7.95	-32.26
CC(CN(C)C1=NC=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL250004654474	1	39	-1.0	-40.21	314.87	7.94	-32.27
CCN1N=NC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C21	REAL250004654475	0	36	-1.0	-46.94	302.16	3.11	-43.83
CCN1N=NC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C21	REAL250004654475	1	36	-1.0	-46.90	302.10	3.12	-43.78
CC(CN(C)C1=CC=NC(C2CCC2)=N1)C1=N[N-]N=N1	REAL250004654476	0	38	-1.0	-35.89	301.20	5.43	-30.46
CC(CN(C)C1=CC=NC(C2CCC2)=N1)C1=NN=N[N-]1	REAL250004654476	1	38	-1.0	-35.87	301.26	5.45	-30.42
CC1=NN2C(=N1)N=CC=C2N(C)CC(C)C1=NN=N[N-]1	REAL250004654477	0	34	-1.0	-39.14	276.05	6.26	-32.88
CC1=NN2C(=N1)N=CC=C2N(C)CC(C)C1=N[N-]N=N1	REAL250004654477	1	34	-1.0	-39.20	275.99	6.25	-32.95
COC(=O)C1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654478	0	34	-1.0	-38.14	287.76	3.40	-34.74
COC(=O)C1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654478	1	34	-1.0	-38.16	287.71	3.38	-34.78
CC1=CC([N+](=O)[O-])=CN=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654479	0	34	-1.0	-40.57	295.23	4.64	-35.93
CC1=CC([N+](=O)[O-])=CN=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654479	1	34	-1.0	-40.58	295.17	4.63	-35.95
CNC1=NC(N(C)CC(C)C2=N[N-]N=N2)=NC=C1Cl	REAL250004654480	0	33	-1.0	-40.31	289.44	5.15	-35.16
CNC1=NC(N(C)CC(C)C2=NN=N[N-]2)=NC=C1Cl	REAL250004654480	1	33	-1.0	-40.32	289.49	5.16	-35.16
CC1=CN=C(N(C)CC(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004654481	0	34	-1.0	-53.47	291.69	5.01	-48.46
CC1=CN=C(N(C)CC(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004654481	1	34	-1.0	-53.48	291.64	4.98	-48.50
CC(CN(C)C1=NC=NC2=CC=CN=C21)C1=NN=N[N-]1	REAL250004654482	0	33	-1.0	-48.10	276.28	3.48	-44.62
CC(CN(C)C1=NC=NC2=CC=CN=C21)C1=N[N-]N=N1	REAL250004654482	1	33	-1.0	-48.18	276.22	3.46	-44.72
CC(CN(C)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654483	0	32	-1.0	-53.77	279.86	3.07	-50.70
CC(CN(C)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654483	1	32	-1.0	-53.75	279.81	3.06	-50.69
CC1=NC(C2=COC=C2)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654484	0	38	-1.0	-38.21	315.18	4.94	-33.27
CC1=NC(C2=COC=C2)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654484	1	38	-1.0	-38.20	315.12	4.92	-33.28
CC1=NC(C2=CC=CO2)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654485	0	38	-1.0	-39.88	316.30	5.07	-34.81
CC1=NC(C2=CC=CO2)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654485	1	38	-1.0	-39.87	316.24	5.06	-34.81
CC(CN(C)C1=CC(CC2CC2)=NC=N1)C1=N[N-]N=N1	REAL250004654486	0	38	-1.0	-35.28	306.23	6.35	-28.93
CC(CN(C)C1=CC(CC2CC2)=NC=N1)C1=NN=N[N-]1	REAL250004654486	1	38	-1.0	-35.27	306.29	6.37	-28.90
CC1=C2N=C(N(C)CC(C)C3=NN=N[N-]3)OC2=CC=C1	REAL250004654487	0	35	-1.0	-40.40	292.71	3.17	-37.23
CC1=C2N=C(N(C)CC(C)C3=N[N-]N=N3)OC2=CC=C1	REAL250004654487	1	35	-1.0	-40.44	292.66	3.16	-37.28
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004654488	0	34	-1.0	-35.69	285.00	5.08	-30.61
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004654488	1	34	-1.0	-35.71	285.05	5.10	-30.61
CC(CN(C)C1=NC=CN2C=NN=C12)C1=NN=N[N-]1	REAL250004654489	0	31	-1.0	-42.93	259.34	5.55	-37.38
CC(CN(C)C1=NC=CN2C=NN=C12)C1=N[N-]N=N1	REAL250004654489	1	31	-1.0	-42.94	259.29	5.53	-37.41
CC(CN(C)C1=C(F)C=NC=C1Cl)C1=NN=N[N-]1	REAL250004654490	0	29	-1.0	-37.28	259.70	2.33	-34.95
CC(CN(C)C1=C(F)C=NC=C1Cl)C1=N[N-]N=N1	REAL250004654490	1	29	-1.0	-37.23	259.64	2.31	-34.92
CC(CN(C)C1=CC(=O)N(C)C(=O)N1)C1=N[N-]N=N1	REAL250004654491	0	33	-1.0	-38.20	268.45	2.20	-36.00
CC(CN(C)C1=CC(=O)N(C)C(=O)N1)C1=NN=N[N-]1	REAL250004654491	1	33	-1.0	-38.21	268.51	2.22	-35.99
CCOC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654492	0	35	-1.0	-38.54	291.02	3.95	-34.59
CCOC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654492	1	35	-1.0	-38.55	290.96	3.93	-34.62
COC(=O)C1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654493	0	37	-1.0	-38.44	313.72	4.39	-34.05
COC(=O)C1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654493	1	37	-1.0	-38.39	313.77	4.40	-33.99
CC1=NC2=NNC=C2C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654494	0	34	-1.0	-47.72	283.28	2.38	-45.34
CC1=NC2=NNC=C2C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654494	1	34	-1.0	-47.71	283.21	2.37	-45.34
CC1=C2C(=NN1)N=CN=C2N(C)CC(C)C1=NN=N[N-]1	REAL250004654495	0	34	-1.0	-48.63	286.72	3.14	-45.49
CC1=C2C(=NN1)N=CN=C2N(C)CC(C)C1=N[N-]N=N1	REAL250004654495	1	34	-1.0	-48.62	286.67	3.13	-45.49
CC(CN(C)C1=CC(=O)NC2=NC=CC=C12)C1=NN=N[N-]1	REAL250004654496	0	35	-1.0	-40.56	290.86	2.83	-37.73
CC(CN(C)C1=CC(=O)NC2=NC=CC=C12)C1=N[N-]N=N1	REAL250004654496	1	35	-1.0	-40.52	290.81	2.82	-37.70
CC(CN(C)C1=CC(Br)=CC=N1)C1=N[N-]N=N1	REAL250004654497	0	29	-1.0	-37.65	261.76	4.56	-33.09
CC(CN(C)C1=CC(Br)=CC=N1)C1=NN=N[N-]1	REAL250004654497	1	29	-1.0	-37.64	261.82	4.57	-33.07
CC1=NC=NC(N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL250004654498	0	31	-1.0	-42.90	262.25	3.31	-39.59
CC1=NC=NC(N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL250004654498	1	31	-1.0	-42.94	262.32	3.33	-39.61
CCC(C)C1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654499	1	43	-1.0	-37.16	338.81	6.17	-30.99
CCC(C)C1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654499	1	43	-1.0	-37.16	338.87	6.18	-30.98
CC(CN(C)C1=CC=NC2=NC=NN21)C1=NN=N[N-]1	REAL250004654500	0	31	-1.0	-38.59	257.80	6.82	-31.77
CC(CN(C)C1=CC=NC2=NC=NN21)C1=N[N-]N=N1	REAL250004654500	1	31	-1.0	-38.58	257.75	6.80	-31.78
CC1=CC=C2SC(N(C)CC(C)C3=NN=N[N-]3)=NC2=C1	REAL250004654501	0	35	-1.0	-38.11	297.61	5.61	-32.50
CC1=CC=C2SC(N(C)CC(C)C3=N[N-]N=N3)=NC2=C1	REAL250004654501	1	35	-1.0	-38.13	297.55	5.60	-32.53
CC(CN(C)C1=NC=C(C(C)(C)C)C=C1C#N)C1=NN=N[N-]1	REAL250004654502	0	42	-1.0	-46.82	338.72	5.48	-41.34
CC(CN(C)C1=NC=C(C(C)(C)C)C=C1C#N)C1=N[N-]N=N1	REAL250004654502	1	42	-1.0	-46.81	338.66	5.46	-41.35
CC(CN(C)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL250004654503	0	28	-1.0	-39.10	254.55	5.19	-33.91
CC(CN(C)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL250004654503	1	28	-1.0	-39.07	254.49	5.17	-33.90
CC(CN(C)C1=CN=C(C#N)C(C#N)=N1)C1=NN=N[N-]1	REAL250004654504	0	30	-1.0	-34.19	272.92	2.09	-32.10
CC(CN(C)C1=CN=C(C#N)C(C#N)=N1)C1=N[N-]N=N1	REAL250004654504	1	30	-1.0	-34.20	272.86	2.08	-32.12
CC(CN(C)C1=NN=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL250004654505	0	31	-1.0	-43.76	272.27	2.94	-40.82
CC(CN(C)C1=NN=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL250004654505	1	31	-1.0	-43.75	272.21	2.93	-40.82
CC(C)C1=NC(Cl)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654506	0	37	-1.0	-36.65	315.65	5.34	-31.31
CC(C)C1=NC(Cl)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654506	1	37	-1.0	-36.64	315.70	5.36	-31.28
CSC1=NC(C)=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654507	0	35	-1.0	-37.43	300.07	4.87	-32.56
CSC1=NC(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654507	1	35	-1.0	-37.43	300.12	4.89	-32.54
CC(=O)C1=CC=C(Cl)N=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654508	0	34	-1.0	-49.64	301.84	4.49	-45.15
CC(=O)C1=CC=C(Cl)N=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654508	1	34	-1.0	-49.63	301.90	4.52	-45.11
CC(CN(C)C1=NN=C(C(F)F)S1)C1=N[N-]N=N1	REAL250004654510	0	28	-1.0	-42.29	263.34	2.98	-39.31
CC(CN(C)C1=NN=C(C(F)F)S1)C1=NN=N[N-]1	REAL250004654510	1	28	-1.0	-42.29	263.40	3.00	-39.29
CCC(C)C1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654511	0	40	-1.0	-35.75	312.81	5.16	-30.59
CCC(C)C1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654511	1	40	-1.0	-35.78	312.86	5.17	-30.61
CNC(=O)C1=CC(C)=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654512	0	38	-1.0	-39.64	318.45	3.60	-36.04
CNC(=O)C1=CC(C)=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654512	1	38	-1.0	-39.66	318.51	3.62	-36.04
CC1=NC2=C(N(C)CC(C)C3=NN=N[N-]3)N=CN=C2S1	REAL250004654514	0	33	-1.0	-42.57	288.73	3.56	-39.01
CC1=NC2=C(N(C)CC(C)C3=N[N-]N=N3)N=CN=C2S1	REAL250004654514	1	33	-1.0	-42.60	288.67	3.55	-39.05
CC1=NC2=CC=CN=C2N=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654515	0	36	-1.0	-45.11	302.72	3.03	-42.08
CC1=NC2=CC=CN=C2N=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654515	1	36	-1.0	-45.09	302.66	3.01	-42.08
CSC1=NC(N(C)CC(C)C2=NN=N[N-]2)=C(C#N)S1	REAL250004654516	0	31	-1.0	-42.47	292.35	3.45	-39.02
CSC1=NC(N(C)CC(C)C2=N[N-]N=N2)=C(C#N)S1	REAL250004654516	1	31	-1.0	-42.47	292.30	3.43	-39.04
CC(CN(C)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL250004654517	0	32	-1.0	-39.45	274.62	4.86	-34.59
CC(CN(C)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL250004654517	1	32	-1.0	-39.48	274.68	4.88	-34.60
CC(CN(C)C1=NC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL250004654518	0	32	-1.0	-40.51	278.20	4.23	-36.28
CC(CN(C)C1=NC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL250004654518	1	32	-1.0	-40.47	278.14	4.21	-36.26
CC(CN(C)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL250004654519	1	40	-1.0	-36.88	311.69	5.20	-31.68
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=C([N+](=O)[O-])C=N1	REAL250004654520	0	34	-1.0	-38.26	286.83	3.94	-34.32
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C([N+](=O)[O-])C=N1	REAL250004654520	1	34	-1.0	-38.25	286.89	3.95	-34.30
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC(CC2CC2)=N1	REAL250004654521	1	41	-1.0	-37.14	331.99	6.48	-30.66
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(CC2CC2)=N1	REAL250004654521	1	41	-1.0	-37.17	332.05	6.49	-30.68
COCCOC1=CC=NC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654522	0	39	-1.0	-42.13	325.54	3.50	-38.63
COCCOC1=CC=NC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654522	1	39	-1.0	-42.13	325.49	3.49	-38.64
CC(CN(C)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL250004654523	0	32	-1.0	-43.09	278.33	5.68	-37.41
CC(CN(C)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL250004654523	1	32	-1.0	-43.08	278.38	5.69	-37.39
CC(CN(C)C1=CC=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL250004654524	0	31	-1.0	-37.65	265.30	5.23	-32.42
CC(CN(C)C1=CC=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL250004654524	1	31	-1.0	-37.66	265.24	5.21	-32.45
CC(CN(C)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL250004654526	0	31	-1.0	-40.58	271.27	3.06	-37.52
CC(CN(C)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL250004654526	1	31	-1.0	-40.56	271.21	3.05	-37.51
CC1=CC=C2N=C(N(C)CC(C)C3=NN=N[N-]3)SC2=N1	REAL250004654527	0	34	-1.0	-40.78	292.89	3.68	-37.10
CC1=CC=C2N=C(N(C)CC(C)C3=N[N-]N=N3)SC2=N1	REAL250004654527	1	34	-1.0	-40.78	292.83	3.67	-37.11
CC(CN(C)C1=NC=NN2C=CC=C12)C1=NN=N[N-]1	REAL250004654528	0	32	-1.0	-41.49	263.04	5.25	-36.24
CC(CN(C)C1=NC=NN2C=CC=C12)C1=N[N-]N=N1	REAL250004654528	1	32	-1.0	-41.47	262.99	5.23	-36.24
CC(CN(C)C1=NC=C2NC=NC2=N1)C1=NN=N[N-]1	REAL250004654529	0	31	-1.0	-48.87	263.35	5.36	-43.51
CC(CN(C)C1=NC=C2NC=NC2=N1)C1=N[N-]N=N1	REAL250004654529	1	31	-1.0	-48.87	263.30	5.34	-43.53
COC(=O)C1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC=N1	REAL250004654530	0	34	-1.0	-39.81	288.44	3.99	-35.82
COC(=O)C1=CC(N(C)CC(C)C2=N[N-]N=N2)=NC=N1	REAL250004654530	1	34	-1.0	-39.83	288.38	3.98	-35.85
CC1=CN=C(C#N)N=C1N(C)CC(C)C1=NN=N[N-]1	REAL250004654531	0	32	-1.0	-37.19	282.75	3.04	-34.15
CC1=CN=C(C#N)N=C1N(C)CC(C)C1=N[N-]N=N1	REAL250004654531	1	32	-1.0	-37.19	282.69	3.02	-34.17
CC(CN(C)C1=NC=NC2=C1SCCC2)C1=N[N-]N=N1	REAL250004654532	0	36	-1.0	-45.44	298.90	4.91	-40.53
CC(CN(C)C1=NC=NC2=C1SCCC2)C1=NN=N[N-]1	REAL250004654532	1	36	-1.0	-45.44	298.96	4.94	-40.50
CC(CN(C)C1=CC=NC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL250004654533	0	31	-1.0	-34.52	273.08	3.70	-30.82
CC(CN(C)C1=CC=NC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL250004654533	1	31	-1.0	-34.50	273.02	3.69	-30.81
CC(CN(C)C1=C2C(=NC=N1)C=NN2C)C1=NN=N[N-]1	REAL250004654534	0	34	-1.0	-39.09	287.76	2.90	-36.19
CC(CN(C)C1=C2C(=NC=N1)C=NN2C)C1=N[N-]N=N1	REAL250004654534	1	34	-1.0	-39.09	287.70	2.89	-36.20
CC1=CC2=NC=NC(N(C)CC(C)C3=NN=N[N-]3)=C2C=C1	REAL250004654535	0	37	-1.0	-43.34	306.81	5.64	-37.70
CC1=CC2=NC=NC(N(C)CC(C)C3=N[N-]N=N3)=C2C=C1	REAL250004654535	1	37	-1.0	-43.38	306.75	5.63	-37.75
CCC1=CC(C#N)=C(N(C)CC(C)C2=N[N-]N=N2)N=C1C	REAL250004654536	0	39	-1.0	-41.66	326.87	5.34	-36.32
CCC1=CC(C#N)=C(N(C)CC(C)C2=NN=N[N-]2)N=C1C	REAL250004654536	1	39	-1.0	-41.69	326.93	5.35	-36.34
CC(C)C1=CC=C(C#N)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654537	0	39	-1.0	-48.22	322.34	4.99	-43.23
CC(C)C1=CC=C(C#N)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654537	1	39	-1.0	-48.28	322.40	5.01	-43.27
CCC(C)C1=CC=C(C#N)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654538	0	42	-1.0	-48.37	340.54	5.65	-42.72
CCC(C)C1=CC=C(C#N)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654538	1	42	-1.0	-48.41	340.60	5.66	-42.75
CCC1=NC(N(C)CC(C)C2=N[N-]N=N2)=C(C#N)C=C1C	REAL250004654539	0	39	-1.0	-48.42	322.30	5.05	-43.37
CCC1=NC(N(C)CC(C)C2=NN=N[N-]2)=C(C#N)C=C1C	REAL250004654539	1	39	-1.0	-48.43	322.36	5.06	-43.37
CC(CN(C)C1=NC2=C(C=C1C#N)CCOC2)C1=N[N-]N=N1	REAL250004654540	0	38	-1.0	-42.47	319.93	3.38	-39.09
CC(CN(C)C1=NC2=C(C=C1C#N)CCOC2)C1=NN=N[N-]1	REAL250004654540	1	38	-1.0	-42.48	319.99	3.40	-39.08
CC1=NC(N(C)CC(C)C2=NN=N[N-]2)=C2C=CSC2=N1	REAL250004654541	0	34	-1.0	-43.62	291.38	4.21	-39.41
CC1=NC(N(C)CC(C)C2=N[N-]N=N2)=C2C=CSC2=N1	REAL250004654541	1	34	-1.0	-43.63	291.32	4.19	-39.44
CSC1=NC=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654542	0	32	-1.0	-36.31	274.12	3.89	-32.42
CSC1=NC=CC(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654542	1	32	-1.0	-36.27	274.06	3.87	-32.40
CC(CN(C)C1=CC(S(C)(=O)=O)=NC=N1)C1=NN=N[N-]1	REAL250004654543	0	34	-1.0	-43.73	293.15	0.76	-42.97
CC(CN(C)C1=CC(S(C)(=O)=O)=NC=N1)C1=N[N-]N=N1	REAL250004654543	1	34	-1.0	-43.68	293.09	0.74	-42.94
CC(C)CC1=CC=C(C#N)C(N(C)CC(C)C2=N[N-]N=N2)=N1	REAL250004654544	0	42	-1.0	-47.99	339.28	6.36	-41.63
CC(C)CC1=CC=C(C#N)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654544	1	42	-1.0	-48.04	339.35	6.38	-41.66
CC(CN(C)C1=CN=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004654545	0	31	-1.0	-35.09	272.82	2.69	-32.40
CC(CN(C)C1=CN=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004654545	1	31	-1.0	-35.10	272.77	2.68	-32.42
CC(CN(C)C1=NC=NC2=C1CCO2)C1=NN=N[N-]1	REAL250004654546	0	33	-1.0	-43.62	270.16	1.12	-42.50
CC(CN(C)C1=NC=NC2=C1CCO2)C1=N[N-]N=N1	REAL250004654546	1	33	-1.0	-43.61	270.11	1.11	-42.50
CC(CN(C)C1=CN=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL250004654547	0	31	-1.0	-35.09	272.82	2.69	-32.40
CC(CN(C)C1=CN=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL250004654547	1	31	-1.0	-35.10	272.77	2.68	-32.42
CC(CN(C)C1=C2N=CN(C)C2=NC=N1)C1=NN=N[N-]1	REAL250004654548	0	34	-1.0	-51.14	284.82	5.22	-45.92
CC(CN(C)C1=C2N=CN(C)C2=NC=N1)C1=N[N-]N=N1	REAL250004654548	1	34	-1.0	-51.11	284.76	5.20	-45.91
CC(CN(C)C1=CC(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004654549	0	35	-1.0	-40.58	292.12	6.14	-34.44
CC(CN(C)C1=CC(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004654549	1	35	-1.0	-40.56	292.07	6.13	-34.43
CCOC(=O)C1=CN=C(N(C)CC(C)C2=NN=N[N-]2)N=C1	REAL250004654550	0	37	-1.0	-39.84	314.62	6.27	-33.57
CCOC(=O)C1=CN=C(N(C)CC(C)C2=N[N-]N=N2)N=C1	REAL250004654550	1	37	-1.0	-39.81	314.56	6.25	-33.56
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL250004654551	0	32	-1.0	-39.49	269.09	4.03	-35.46
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL250004654551	1	32	-1.0	-39.48	269.26	4.03	-35.45
O=[N+]([O-])C1=CC=CC=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654552	0	32	-1.0	-46.56	270.67	5.31	-41.25
O=[N+]([O-])C1=CC=CC=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654552	1	32	-1.0	-46.53	270.84	5.31	-41.22
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654553	0	31	-1.0	-47.07	265.99	4.43	-42.64
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654553	1	31	-1.0	-47.08	266.15	4.44	-42.64
N#CC1=C(F)C=CC=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654554	0	31	-1.0	-46.05	270.80	4.25	-41.80
N#CC1=C(F)C=CC=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654554	1	31	-1.0	-46.03	270.96	4.26	-41.77
C1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2S1	REAL250004654555	0	31	-1.0	-39.41	266.52	3.70	-35.71
C1=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2S1	REAL250004654555	1	31	-1.0	-39.35	266.69	3.70	-35.65
C1=CC2=NC=C(N3CCN(C4=NN=N[N-]4)CC3)N=C2C=C1	REAL250004654556	0	34	-1.0	-41.75	279.90	2.95	-38.80
C1=CC2=NC=C(N3CCN(C4=N[N-]N=N4)CC3)N=C2C=C1	REAL250004654556	1	34	-1.0	-41.64	280.07	2.95	-38.69
O=[N+]([O-])C1=CC(F)=CC=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654557	0	32	-1.0	-43.42	277.04	5.38	-38.04
O=[N+]([O-])C1=CC(F)=CC=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654557	1	32	-1.0	-43.39	277.20	5.39	-38.00
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654558	0	31	-1.0	-39.24	267.00	3.42	-35.82
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654558	1	31	-1.0	-39.15	267.16	3.42	-35.73
C1=CC=C2OC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654559	0	32	-1.0	-40.84	268.53	1.26	-39.58
C1=CC=C2OC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654559	1	32	-1.0	-40.80	268.69	1.28	-39.52
C1=CC=C2SC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654560	0	32	-1.0	-40.18	277.40	4.09	-36.09
C1=CC=C2SC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654560	1	32	-1.0	-40.14	277.57	4.10	-36.04
CN1C=NC([N+](=O)[O-])=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654561	0	32	-1.0	-48.29	269.05	5.16	-43.13
CN1C=NC([N+](=O)[O-])=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654561	1	32	-1.0	-48.25	269.22	5.18	-43.07
C1=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004654562	0	34	-1.0	-39.85	282.47	4.81	-35.04
C1=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2C=C1	REAL250004654562	1	34	-1.0	-39.76	282.64	4.82	-34.94
COC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654563	0	32	-1.0	-40.24	267.27	1.49	-38.75
COC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654563	1	32	-1.0	-40.18	267.44	1.50	-38.68
C1=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2S1	REAL250004654564	0	31	-1.0	-39.73	266.98	3.62	-36.11
C1=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2S1	REAL250004654564	1	31	-1.0	-39.72	267.14	3.63	-36.09
N#CC1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654565	0	30	-1.0	-45.44	261.91	3.35	-42.09
N#CC1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654565	1	30	-1.0	-45.37	262.07	3.35	-42.02
CC1=NC2=NC=NN2C(N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004654566	0	34	-1.0	-45.22	276.59	7.47	-37.75
CC1=NC2=NC=NN2C(N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004654566	1	34	-1.0	-45.17	276.75	7.46	-37.71
CN1N=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C21	REAL250004654567	0	34	-1.0	-40.00	279.67	3.29	-36.71
CN1N=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C21	REAL250004654567	1	34	-1.0	-39.97	279.84	3.29	-36.68
N#CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654568	0	30	-1.0	-40.54	259.33	3.15	-37.39
N#CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654568	1	30	-1.0	-40.43	259.50	3.16	-37.27
C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NN2N=NN=C12	REAL250004654569	0	30	-1.0	-47.26	254.89	2.13	-45.13
C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NN2N=NN=C12	REAL250004654569	1	30	-1.0	-47.21	255.05	2.13	-45.08
ClC1=CN=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654570	0	28	-1.0	-38.33	250.34	1.29	-37.04
ClC1=CN=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654570	1	28	-1.0	-38.30	250.50	1.30	-37.00
C1=C2C(=NN1)N=CN=C2N1CCN(C2=NN=N[N-]2)CC1	REAL250004654571	0	31	-1.0	-44.20	257.81	2.27	-41.93
C1=C2C(=NN1)N=CN=C2N1CCN(C2=N[N-]N=N2)CC1	REAL250004654571	1	31	-1.0	-44.15	257.98	2.28	-41.87
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004654572	0	32	-1.0	-39.48	279.24	4.33	-35.15
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004654572	1	32	-1.0	-39.42	279.41	4.33	-35.09
CC1=CN2N=C(N3CCN(C4=NN=N[N-]4)CC3)SC2=N1	REAL250004654573	0	32	-1.0	-40.75	280.31	4.59	-36.16
CC1=CN2N=C(N3CCN(C4=N[N-]N=N4)CC3)SC2=N1	REAL250004654573	1	32	-1.0	-40.72	280.47	4.58	-36.14
NC1=NC(Cl)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654574	0	30	-1.0	-38.10	265.80	2.34	-35.76
NC1=NC(Cl)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654574	1	30	-1.0	-38.05	265.97	2.36	-35.69
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL250004654575	0	34	-1.0	-39.82	277.14	3.11	-36.71
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL250004654575	1	34	-1.0	-39.79	277.30	3.13	-36.66
CC1=NN=C(N2CCN(C3=NN=N[N-]3)CC2)C(C#N)=C1C	REAL250004654576	0	35	-1.0	-42.85	287.09	2.81	-40.04
CC1=NN=C(N2CCN(C3=N[N-]N=N3)CC2)C(C#N)=C1C	REAL250004654576	1	35	-1.0	-42.74	287.25	2.81	-39.93
NC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654577	0	32	-1.0	-37.69	273.85	2.58	-35.11
NC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654577	1	32	-1.0	-37.67	274.01	2.58	-35.09
N#CC1=C(N2CCN(C3=NN=N[N-]3)CC2)SN=C1Cl	REAL250004654578	0	27	-1.0	-38.09	262.72	1.87	-36.22
N#CC1=C(N2CCN(C3=N[N-]N=N3)CC2)SN=C1Cl	REAL250004654578	1	27	-1.0	-38.08	262.89	1.88	-36.20
CC1=NN(C)C(N2CCN(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL250004654579	0	35	-1.0	-39.78	293.74	3.14	-36.64
CC1=NN(C)C(N2CCN(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL250004654579	1	35	-1.0	-39.70	293.90	3.16	-36.54
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654580	0	35	-1.0	-39.21	285.05	4.54	-34.67
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654580	1	35	-1.0	-39.17	285.22	4.55	-34.62
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654581	0	31	-1.0	-47.07	265.99	4.43	-42.64
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654581	1	31	-1.0	-47.08	266.15	4.44	-42.64
CC1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2C=C1	REAL250004654582	0	37	-1.0	-39.67	303.34	5.61	-34.06
CC1=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2C=C1	REAL250004654582	1	37	-1.0	-39.61	303.50	5.62	-33.99
O=[N+]([O-])C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654583	0	30	-1.0	-37.52	263.47	3.62	-33.90
O=[N+]([O-])C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654583	1	30	-1.0	-37.49	263.64	3.63	-33.86
CC1=NC([N+](=O)[O-])=C(N2CCN(C3=NN=N[N-]3)CC2)N1C	REAL250004654584	0	35	-1.0	-47.32	289.77	4.99	-42.33
CC1=NC([N+](=O)[O-])=C(N2CCN(C3=N[N-]N=N3)CC2)N1C	REAL250004654584	1	35	-1.0	-47.30	289.93	5.01	-42.29
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654585	0	31	-1.0	-39.24	267.00	3.42	-35.82
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654585	1	31	-1.0	-39.15	267.16	3.42	-35.73
C1=NC2=CC=C(N3CCN(C4=NN=N[N-]4)CC3)N=C2N=C1	REAL250004654586	0	33	-1.0	-46.65	274.62	2.05	-44.60
C1=NC2=CC=C(N3CCN(C4=N[N-]N=N4)CC3)N=C2N=C1	REAL250004654586	1	33	-1.0	-46.62	274.78	2.05	-44.57
N#CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL250004654587	0	30	-1.0	-41.94	275.00	3.46	-38.48
N#CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL250004654587	1	30	-1.0	-41.88	275.17	3.46	-38.42
C1=NC2=C(CCC2)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654588	0	35	-1.0	-40.03	275.51	4.28	-35.75
C1=NC2=C(CCC2)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654588	1	35	-1.0	-40.03	275.68	4.29	-35.74
N#CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL250004654589	0	30	-1.0	-39.60	278.89	3.75	-35.85
N#CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL250004654589	1	30	-1.0	-39.58	279.06	3.75	-35.83
N#CC1=NC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654590	0	29	-1.0	-45.35	257.23	1.28	-44.07
N#CC1=NC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654590	1	29	-1.0	-45.31	257.39	1.28	-44.03
CC1=NC(C)=C(F)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654591	0	34	-1.0	-38.53	280.33	3.16	-35.37
CC1=NC(C)=C(F)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654591	1	34	-1.0	-38.46	280.50	3.17	-35.29
CN1C=NC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C21	REAL250004654592	0	34	-1.0	-45.67	281.00	5.12	-40.55
CN1C=NC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C21	REAL250004654592	1	34	-1.0	-45.61	281.17	5.14	-40.47
CC1=NC(Cl)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654593	0	31	-1.0	-37.61	272.38	2.92	-34.69
CC1=NC(Cl)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654593	1	31	-1.0	-37.60	272.55	2.93	-34.67
C1=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2N1	REAL250004654594	0	32	-1.0	-42.46	262.20	3.52	-38.94
C1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2N1	REAL250004654594	1	32	-1.0	-42.47	262.03	3.51	-38.96
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654595	0	34	-1.0	-38.25	290.70	4.32	-33.93
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654595	1	34	-1.0	-38.22	290.87	4.33	-33.89
N#CC1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654596	0	30	-1.0	-45.44	261.91	3.35	-42.09
N#CC1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654596	1	30	-1.0	-45.37	262.07	3.35	-42.02
N#CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004654597	0	29	-1.0	-39.32	254.38	1.18	-38.14
N#CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004654597	1	29	-1.0	-39.25	254.55	1.19	-38.06
CC(C)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654598	0	37	-1.0	-39.92	295.60	3.41	-36.51
CC(C)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654598	1	37	-1.0	-39.93	295.76	3.42	-36.51
CC(C)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654599	0	37	-1.0	-38.79	294.00	4.40	-34.39
CC(C)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654599	1	37	-1.0	-38.76	294.17	4.41	-34.35
C1=CC=C2SC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654600	0	32	-1.0	-40.18	277.40	4.09	-36.09
C1=CC=C2SC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654600	1	32	-1.0	-40.14	277.57	4.10	-36.04
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C2CC2)=N1	REAL250004654601	0	38	-1.0	-40.17	307.63	4.79	-35.38
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C2CC2)=N1	REAL250004654601	1	38	-1.0	-40.10	307.80	4.80	-35.30
COC1=CC(C)=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654602	0	35	-1.0	-40.14	288.94	2.24	-37.90
COC1=CC(C)=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654602	1	35	-1.0	-40.07	289.11	2.25	-37.82
CC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654603	0	28	-1.0	-37.11	246.93	1.68	-35.43
CC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654603	1	28	-1.0	-37.04	247.10	1.69	-35.35
COCC1=NC(C)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654604	0	38	-1.0	-41.60	310.80	2.08	-39.52
COCC1=NC(C)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654604	1	38	-1.0	-41.56	310.96	2.10	-39.46
FC1=CC=C2OC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654605	0	32	-1.0	-38.68	274.93	1.33	-37.35
FC1=CC=C2OC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654605	1	32	-1.0	-38.61	275.10	1.35	-37.26
CC1=CC=C2OC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654606	0	35	-1.0	-40.64	289.94	1.72	-38.92
CC1=CC=C2OC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654606	1	35	-1.0	-40.57	290.10	1.73	-38.84
C1=CC2=NC=C(N3CCN(C4=NN=N[N-]4)CC3)N=C2C=C1	REAL250004654607	0	34	-1.0	-41.75	279.90	2.95	-38.80
C1=CC2=NC=C(N3CCN(C4=N[N-]N=N4)CC3)N=C2C=C1	REAL250004654607	1	34	-1.0	-41.64	280.07	2.95	-38.69
CCC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL250004654608	0	37	-1.0	-39.42	297.93	3.90	-35.52
CCC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL250004654608	1	37	-1.0	-39.44	298.10	3.90	-35.54
CC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL250004654609	0	34	-1.0	-45.94	290.64	4.33	-41.61
CC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL250004654609	1	34	-1.0	-45.90	290.80	4.34	-41.56
C1=NN=C2C(N3CCN(C4=NN=N[N-]4)CC3)=NC=CN12	REAL250004654610	0	31	-1.0	-45.96	257.30	5.51	-40.45
C1=NN=C2C(N3CCN(C4=N[N-]N=N4)CC3)=NC=CN12	REAL250004654610	1	31	-1.0	-45.94	257.47	5.51	-40.43
C1=CN(C2=CC(N3CCN(C4=NN=N[N-]4)CC3)=NC=N2)C=N1	REAL250004654611	0	35	-1.0	-41.02	292.06	6.03	-34.99
C1=CN(C2=CC(N3CCN(C4=N[N-]N=N4)CC3)=NC=N2)C=N1	REAL250004654611	1	35	-1.0	-40.95	292.22	6.04	-34.91
CC1=NN=C2C(N3CCN(C4=NN=N[N-]4)CC3)=NC=CN12	REAL250004654612	0	34	-1.0	-46.19	279.18	5.32	-40.87
CC1=NN=C2C(N3CCN(C4=N[N-]N=N4)CC3)=NC=CN12	REAL250004654612	1	34	-1.0	-46.15	279.35	5.33	-40.82
CN1C=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004654614	0	32	-1.0	-45.82	261.35	2.88	-42.94
CN1C=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004654614	1	32	-1.0	-45.76	261.51	2.88	-42.88
CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL250004654615	0	34	-1.0	-45.62	287.44	5.07	-40.55
CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654615	1	34	-1.0	-45.56	287.61	5.08	-40.48
CCC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654616	0	31	-1.0	-36.87	268.41	2.29	-34.58
CCC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654616	1	31	-1.0	-36.87	268.58	2.30	-34.57
CC1=NC(C)=C(C)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654617	0	37	-1.0	-39.76	297.39	3.97	-35.79
CC1=NC(C)=C(C)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654617	1	37	-1.0	-39.71	297.56	3.99	-35.72
CC1=CC=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C12	REAL250004654618	0	37	-1.0	-39.13	297.49	6.96	-32.17
CC1=CC=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C12	REAL250004654618	1	37	-1.0	-39.11	297.66	6.96	-32.15
CC(C)C1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654619	0	34	-1.0	-36.88	288.80	2.81	-34.07
CC(C)C1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654619	1	34	-1.0	-36.81	288.97	2.83	-33.98
C1CC1C1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654620	0	32	-1.0	-37.26	277.67	3.28	-33.98
C1CC1C1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654620	1	32	-1.0	-37.24	277.84	3.29	-33.95
CC(C)(C)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654621	0	40	-1.0	-39.82	314.22	4.18	-35.64
CC(C)(C)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654621	1	40	-1.0	-39.79	314.39	4.20	-35.59
COCCC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654622	0	35	-1.0	-37.04	302.09	1.36	-35.68
COCCC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654622	1	35	-1.0	-36.99	302.25	1.37	-35.62
ClC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654623	0	28	-1.0	-38.49	251.75	3.47	-35.02
ClC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654623	1	28	-1.0	-38.45	251.91	3.48	-34.97
C1=CN2N=NN=C2C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654624	0	30	-1.0	-43.21	251.97	2.37	-40.84
C1=CN2N=NN=C2C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654624	1	30	-1.0	-43.23	252.13	2.37	-40.86
N#CC1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654625	0	30	-1.0	-45.44	261.91	3.35	-42.09
N#CC1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654625	1	30	-1.0	-45.37	262.07	3.35	-42.02
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654626	0	34	-1.0	-39.03	285.89	4.03	-35.00
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654626	1	34	-1.0	-39.00	286.05	4.05	-34.95
COC1=NC(C)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654627	0	35	-1.0	-41.92	287.46	0.00	-41.92
COC1=NC(C)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654627	1	35	-1.0	-41.85	287.62	0.01	-41.84
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654628	0	34	-1.0	-39.03	285.89	4.03	-35.00
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654628	1	34	-1.0	-39.00	286.05	4.05	-34.95
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654629	0	31	-1.0	-47.07	265.99	4.43	-42.64
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654629	1	31	-1.0	-47.08	266.15	4.44	-42.64
CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654630	0	34	-1.0	-38.82	283.22	3.89	-34.93
CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654630	1	34	-1.0	-38.75	283.38	3.90	-34.85
N#CC1=NC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654631	0	29	-1.0	-45.35	257.23	1.28	-44.07
N#CC1=NC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654631	1	29	-1.0	-45.31	257.39	1.28	-44.03
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004654632	0	35	-1.0	-45.59	292.03	5.99	-39.60
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004654632	1	35	-1.0	-45.58	292.20	5.99	-39.59
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654633	0	34	-1.0	-46.10	285.56	4.87	-41.23
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654633	1	34	-1.0	-46.03	285.73	4.87	-41.16
CC1=CC(C)=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654634	0	34	-1.0	-42.07	278.30	4.17	-37.90
CC1=CC(C)=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654634	1	34	-1.0	-42.02	278.47	4.18	-37.84
C1=NC2=C(CCCC2)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654635	0	38	-1.0	-38.83	298.77	5.20	-33.63
C1=NC2=C(CCCC2)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654635	1	38	-1.0	-38.77	298.94	5.21	-33.56
CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL250004654636	0	35	-1.0	-45.58	292.03	5.98	-39.60
CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654636	1	35	-1.0	-45.58	292.19	5.99	-39.59
O=[N+]([O-])C1=C(N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL250004654637	0	29	-1.0	-42.89	264.61	4.13	-38.76
O=[N+]([O-])C1=C(N2CCN(C3=N[N-]N=N3)CC2)SC=C1	REAL250004654637	1	29	-1.0	-42.80	264.77	4.14	-38.66
FC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654638	0	28	-1.0	-38.69	241.40	3.05	-35.64
FC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654638	1	28	-1.0	-38.67	241.56	3.06	-35.61
COCC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654639	0	35	-1.0	-39.40	286.83	2.38	-37.02
COCC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654639	1	35	-1.0	-39.36	286.99	2.38	-36.98
CC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=C1C#N	REAL250004654640	0	33	-1.0	-45.07	281.31	3.87	-41.20
CC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=C1C#N	REAL250004654640	1	33	-1.0	-45.00	281.48	3.87	-41.13
CCC1=CC(C)=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654641	0	37	-1.0	-41.95	299.14	4.97	-36.98
CCC1=CC(C)=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654641	1	37	-1.0	-41.90	299.30	4.98	-36.92
CCN1C=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004654642	0	35	-1.0	-45.57	282.82	3.83	-41.74
CCN1C=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004654642	1	35	-1.0	-45.50	282.99	3.84	-41.66
CCC1=NC=NC(N2CCN(C3=NN=N[N-]3)CC2)=C1F	REAL250004654643	0	34	-1.0	-38.24	280.01	3.93	-34.31
CCC1=NC=NC(N2CCN(C3=N[N-]N=N3)CC2)=C1F	REAL250004654643	1	34	-1.0	-38.21	280.18	3.94	-34.27
N#CC1=CC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654644	0	30	-1.0	-43.76	259.58	3.05	-40.71
N#CC1=CC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654644	1	30	-1.0	-43.73	259.75	3.07	-40.66
N#CC1=CN=CC=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654645	0	30	-1.0	-42.99	260.11	2.41	-40.58
N#CC1=CN=CC=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654645	1	30	-1.0	-42.98	260.28	2.42	-40.56
CCOC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654646	0	35	-1.0	-38.77	287.80	1.96	-36.81
CCOC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654646	1	35	-1.0	-38.71	287.96	1.97	-36.74
ClC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004654647	0	26	-1.0	-36.38	246.40	2.11	-34.27
ClC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004654647	1	26	-1.0	-36.35	246.57	2.11	-34.24
CC(C)(C)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654648	0	40	-1.0	-39.82	314.22	4.18	-35.64
CC(C)(C)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654648	1	40	-1.0	-39.79	314.39	4.20	-35.59
N#CC1=C(Cl)N=C(N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004654649	0	27	-1.0	-37.10	267.55	2.65	-34.45
N#CC1=C(Cl)N=C(N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004654649	1	27	-1.0	-37.06	267.72	2.66	-34.40
N#CC1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654650	0	29	-1.0	-42.16	254.73	2.11	-40.05
N#CC1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654650	1	29	-1.0	-42.12	254.89	2.12	-40.00
N#CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654651	0	29	-1.0	-38.96	254.65	2.87	-36.09
N#CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654651	1	29	-1.0	-38.89	254.82	2.88	-36.01
FC(F)(F)C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654652	0	32	-1.0	-38.47	277.77	3.76	-34.71
FC(F)(F)C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654652	1	32	-1.0	-38.43	277.93	3.76	-34.67
O=[N+]([O-])C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004654653	0	28	-1.0	-36.85	260.30	2.54	-34.31
O=[N+]([O-])C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004654653	1	28	-1.0	-36.82	260.46	2.55	-34.27
CC1=NN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1C	REAL250004654654	0	33	-1.0	-43.23	269.69	2.82	-40.41
CC1=NN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1C	REAL250004654654	1	33	-1.0	-43.19	269.86	2.83	-40.36
CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654655	0	34	-1.0	-38.82	283.22	3.89	-34.93
CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654655	1	34	-1.0	-38.75	283.38	3.90	-34.85
ClC1=CN=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654656	0	28	-1.0	-38.34	253.20	3.06	-35.28
ClC1=CN=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654656	1	28	-1.0	-38.26	253.37	3.07	-35.19
CCC1=NN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1CC	REAL250004654657	0	39	-1.0	-42.30	310.24	4.21	-38.09
CCC1=NN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1CC	REAL250004654657	1	39	-1.0	-42.21	310.41	4.22	-37.99
CC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654658	0	28	-1.0	-37.11	246.93	1.68	-35.43
CC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654658	1	28	-1.0	-37.04	247.10	1.69	-35.35
N#CC1=CC=CC(C#N)=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654659	0	32	-1.0	-51.00	277.76	4.09	-46.91
N#CC1=CC=CC(C#N)=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654659	1	32	-1.0	-50.93	277.93	4.10	-46.83
CC(C)(C)C1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654660	0	37	-1.0	-36.92	307.68	3.46	-33.46
CC(C)(C)C1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654660	1	37	-1.0	-36.88	307.85	3.47	-33.41
COC(=O)C1=CN=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654661	0	34	-1.0	-43.39	289.91	3.97	-39.42
COC(=O)C1=CN=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654661	1	34	-1.0	-43.35	290.08	3.97	-39.38
C1=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2S1	REAL250004654662	0	31	-1.0	-39.73	266.98	3.62	-36.11
C1=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2S1	REAL250004654662	1	31	-1.0	-39.72	267.14	3.63	-36.09
COC(=O)C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654663	0	34	-1.0	-40.17	289.95	3.62	-36.55
COC(=O)C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654663	1	34	-1.0	-40.12	290.12	3.63	-36.49
FC1=C2N=C(N3CCN(C4=NN=N[N-]4)CC3)OC2=CC=C1	REAL250004654664	0	32	-1.0	-42.58	274.96	1.33	-41.25
FC1=C2N=C(N3CCN(C4=N[N-]N=N4)CC3)OC2=CC=C1	REAL250004654664	1	32	-1.0	-42.57	275.13	1.35	-41.22
CN1N=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C21	REAL250004654665	0	34	-1.0	-40.00	279.67	3.29	-36.71
CN1N=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C21	REAL250004654665	1	34	-1.0	-39.97	279.84	3.29	-36.68
CC1=NN=C(N2CCN(C3=NN=N[N-]3)CC2)C(C#N)=C1C	REAL250004654666	0	35	-1.0	-42.85	287.09	2.81	-40.04
CC1=NN=C(N2CCN(C3=N[N-]N=N3)CC2)C(C#N)=C1C	REAL250004654666	1	35	-1.0	-42.74	287.25	2.81	-39.93
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(CO)=N1	REAL250004654667	0	35	-1.0	-42.66	288.54	-0.32	-42.98
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(CO)=N1	REAL250004654667	1	35	-1.0	-42.59	288.71	-0.31	-42.90
CC1=NOC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C12	REAL250004654668	0	33	-1.0	-37.56	280.23	1.54	-36.02
CC1=NOC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C12	REAL250004654668	1	33	-1.0	-37.59	280.40	1.56	-36.03
C1=CC2=CN=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004654669	0	34	-1.0	-44.28	282.54	4.05	-40.23
C1=CC2=CN=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2C=C1	REAL250004654669	1	34	-1.0	-44.20	282.71	4.07	-40.13
COC(=O)C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654670	0	34	-1.0	-40.17	289.95	3.62	-36.55
COC(=O)C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654670	1	34	-1.0	-40.12	290.12	3.63	-36.49
N#CC1=CN=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654671	0	29	-1.0	-40.74	250.08	2.81	-37.93
N#CC1=CN=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654671	1	29	-1.0	-40.72	250.24	2.82	-37.90
O=[N+]([O-])C1=CC=[N+]([O-])C=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654672	0	32	-1.0	-48.91	278.23	3.82	-45.09
O=[N+]([O-])C1=CC=[N+]([O-])C=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654672	1	32	-1.0	-48.91	278.39	3.83	-45.08
CC1=CC=C(C#N)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654673	0	33	-1.0	-44.95	283.49	3.95	-41.00
CC1=CC=C(C#N)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654673	1	33	-1.0	-44.93	283.66	3.98	-40.95
CC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=C1C#N	REAL250004654674	0	30	-1.0	-38.38	266.73	2.00	-36.38
CC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=C1C#N	REAL250004654674	1	30	-1.0	-38.35	266.89	2.01	-36.34
O=[N+]([O-])C1=CC=CC(F)=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654675	0	32	-1.0	-46.96	272.84	5.28	-41.68
O=[N+]([O-])C1=CC=CC(F)=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654675	1	32	-1.0	-46.86	273.00	5.28	-41.58
CCC1=NC(C)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654676	0	37	-1.0	-39.65	298.62	3.72	-35.93
CCC1=NC(C)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654676	1	37	-1.0	-39.62	298.79	3.73	-35.89
FC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654677	0	28	-1.0	-38.69	241.40	3.05	-35.64
FC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654677	1	28	-1.0	-38.67	241.56	3.06	-35.61
C1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2C=N1	REAL250004654678	0	33	-1.0	-38.21	277.04	3.15	-35.06
C1=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2C=N1	REAL250004654678	1	33	-1.0	-38.10	277.20	3.16	-34.94
N#CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654679	0	30	-1.0	-40.54	259.33	3.15	-37.39
N#CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654679	1	30	-1.0	-40.43	259.50	3.16	-37.27
CC1=NC(C#N)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654680	0	32	-1.0	-38.54	276.48	2.81	-35.73
CC1=NC(C#N)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654680	1	32	-1.0	-38.51	276.65	2.82	-35.69
CCC1=NC(C#N)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654681	0	35	-1.0	-38.22	297.97	3.43	-34.79
CCC1=NC(C#N)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654681	1	35	-1.0	-38.22	298.14	3.44	-34.78
CC1=CC(C#N)=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654682	0	33	-1.0	-39.87	283.03	4.08	-35.79
CC1=CC(C#N)=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654682	1	33	-1.0	-39.82	283.20	4.09	-35.73
CC1=C2OC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=CC=C1	REAL250004654683	0	35	-1.0	-40.96	289.94	1.93	-39.03
CC1=C2OC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=CC=C1	REAL250004654683	1	35	-1.0	-40.96	290.11	1.93	-39.03
N#CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004654684	0	29	-1.0	-42.57	254.64	1.85	-40.72
N#CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004654684	1	29	-1.0	-42.47	254.80	1.88	-40.59
N#CC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654685	0	29	-1.0	-42.72	255.96	3.27	-39.45
N#CC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654685	1	29	-1.0	-42.65	256.13	3.28	-39.37
CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1C#N	REAL250004654686	0	33	-1.0	-39.96	278.69	3.60	-36.36
CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1C#N	REAL250004654686	1	33	-1.0	-39.92	278.86	3.61	-36.31
N#CC1=C(Cl)SC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654687	0	27	-1.0	-37.34	267.44	2.44	-34.90
N#CC1=C(Cl)SC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654687	1	27	-1.0	-37.32	267.61	2.45	-34.87
CCCC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654688	0	34	-1.0	-36.69	289.91	3.07	-33.62
CCCC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654688	1	34	-1.0	-36.65	290.08	3.08	-33.57
CCCC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654689	0	34	-1.0	-36.69	289.91	3.07	-33.62
CCCC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654689	1	34	-1.0	-36.65	290.08	3.08	-33.57
COC(=O)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654690	0	34	-1.0	-45.44	290.24	2.58	-42.86
COC(=O)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654690	1	34	-1.0	-45.38	290.41	2.59	-42.79
CC(C)(C)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654691	0	40	-1.0	-38.80	313.24	5.16	-33.64
CC(C)(C)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654691	1	40	-1.0	-38.73	313.40	5.17	-33.56
CC1=CN=C(C)N=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654692	0	34	-1.0	-39.40	278.77	3.53	-35.87
CC1=CN=C(C)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654692	1	34	-1.0	-39.49	278.60	3.54	-35.95
CCOC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL250004654693	0	38	-1.0	-38.96	309.63	1.90	-37.06
CCOC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL250004654693	1	38	-1.0	-38.93	309.80	1.91	-37.02
N#CC1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654694	0	29	-1.0	-42.16	254.73	2.11	-40.05
N#CC1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654694	1	29	-1.0	-42.12	254.89	2.12	-40.00
O=[N+]([O-])C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004654695	0	31	-1.0	-37.23	271.12	3.48	-33.75
O=[N+]([O-])C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004654695	1	31	-1.0	-37.21	271.28	3.49	-33.72
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1C#N	REAL250004654696	0	33	-1.0	-39.80	278.70	3.67	-36.13
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1C#N	REAL250004654696	1	33	-1.0	-39.77	278.87	3.68	-36.09
CN1N=NC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C21	REAL250004654697	0	33	-1.0	-41.54	276.52	2.15	-39.39
CN1N=NC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C21	REAL250004654697	1	33	-1.0	-41.49	276.69	2.16	-39.33
C1=NC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2S1	REAL250004654698	0	30	-1.0	-41.67	263.56	2.28	-39.39
C1=NC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2S1	REAL250004654698	1	30	-1.0	-41.59	263.73	2.28	-39.31
COC(=O)C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004654699	0	34	-1.0	-41.93	289.47	2.14	-39.79
COC(=O)C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004654699	1	34	-1.0	-41.90	289.64	2.16	-39.74
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C)=C1C#N	REAL250004654700	0	36	-1.0	-39.38	298.06	4.13	-35.25
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C)=C1C#N	REAL250004654700	1	36	-1.0	-39.34	298.23	4.15	-35.19
N#CC1=CN=NC(N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004654701	0	29	-1.0	-40.46	254.64	1.96	-38.50
N#CC1=CN=NC(N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004654701	1	29	-1.0	-40.41	254.80	1.97	-38.44
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])S1	REAL250004654702	0	32	-1.0	-44.62	286.07	4.83	-39.79
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=C([N+](=O)[O-])S1	REAL250004654702	1	32	-1.0	-44.57	286.24	4.84	-39.73
FC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654703	0	28	-1.0	-38.69	241.40	3.05	-35.64
FC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654703	1	28	-1.0	-38.67	241.56	3.06	-35.61
N#CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004654704	0	30	-1.0	-39.67	263.57	3.23	-36.44
N#CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004654704	1	30	-1.0	-39.57	263.74	3.23	-36.34
FC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004654705	0	28	-1.0	-38.34	239.92	0.82	-37.52
FC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004654705	1	28	-1.0	-38.28	240.08	0.83	-37.45
CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654706	0	33	-1.0	-37.22	279.89	4.09	-33.13
CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654706	1	33	-1.0	-37.18	280.05	4.10	-33.08
N#CC1=CN=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654707	0	29	-1.0	-40.40	254.44	1.17	-39.23
N#CC1=CN=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654707	1	29	-1.0	-40.37	254.60	1.18	-39.19
N#CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654708	0	30	-1.0	-40.54	259.33	3.15	-37.39
N#CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654708	1	30	-1.0	-40.43	259.50	3.16	-37.27
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=C(C#N)C=N1	REAL250004654709	0	33	-1.0	-42.05	276.09	2.56	-39.49
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=C(C#N)C=N1	REAL250004654709	1	33	-1.0	-42.00	276.26	2.57	-39.43
FC1=NC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654710	0	28	-1.0	-41.63	237.60	0.83	-40.80
FC1=NC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654710	1	28	-1.0	-41.56	237.77	0.83	-40.73
NC(=O)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654711	0	32	-1.0	-41.35	270.87	-0.62	-41.97
NC(=O)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654711	1	32	-1.0	-41.28	271.04	-0.61	-41.89
NC(=O)C1=NC=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654712	0	32	-1.0	-48.03	271.62	-1.35	-49.38
NC(=O)C1=NC=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654712	1	32	-1.0	-48.03	271.79	-1.35	-49.38
N#CC1=CN=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654713	0	29	-1.0	-40.40	254.44	1.17	-39.23
N#CC1=CN=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654713	1	29	-1.0	-40.37	254.60	1.18	-39.19
CCC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654714	0	34	-1.0	-39.10	276.09	3.97	-35.13
CCC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654714	1	34	-1.0	-39.06	276.26	3.97	-35.09
O=C1NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL250004654715	0	32	-1.0	-55.62	274.65	4.08	-51.54
O=C1NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL250004654715	1	32	-1.0	-55.52	274.81	4.08	-51.44
FC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654716	0	28	-1.0	-37.80	240.04	2.51	-35.29
FC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654716	1	28	-1.0	-37.77	240.20	2.52	-35.25
O=C1N=C(N2CCN(C3=NN=N[N-]3)CC2)C=C(Cl)N1	REAL250004654717	0	29	-1.0	-45.65	259.22	1.15	-44.50
O=C1N=C(N2CCN(C3=N[N-]N=N3)CC2)C=C(Cl)N1	REAL250004654717	1	29	-1.0	-45.56	259.38	1.15	-44.41
ClC1=CSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654718	0	26	-1.0	-38.15	247.02	2.11	-36.04
ClC1=CSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654718	1	26	-1.0	-38.05	247.18	2.12	-35.93
CCC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654719	0	31	-1.0	-36.87	268.41	2.29	-34.58
CCC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654719	1	31	-1.0	-36.87	268.58	2.30	-34.57
C(C1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1)C1CC1	REAL250004654720	0	35	-1.0	-36.77	300.02	3.84	-32.93
C(C1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1)C1CC1	REAL250004654720	1	35	-1.0	-36.72	300.18	3.85	-32.87
COC(=O)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654721	0	34	-1.0	-39.96	289.63	3.17	-36.79
COC(=O)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654721	1	34	-1.0	-39.90	289.80	3.19	-36.71
CN1C=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL250004654722	0	32	-1.0	-45.82	261.35	2.88	-42.94
CN1C=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL250004654722	1	32	-1.0	-45.76	261.51	2.88	-42.88
COC(=O)C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004654723	0	34	-1.0	-39.90	289.12	1.47	-38.43
COC(=O)C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004654723	1	34	-1.0	-39.86	289.29	1.48	-38.38
C1=NC(C2CC2)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654724	0	35	-1.0	-39.03	283.60	4.61	-34.42
C1=NC(C2CC2)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654724	1	35	-1.0	-38.97	283.76	4.62	-34.35
CC(C)CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654725	0	40	-1.0	-38.60	312.98	5.85	-32.75
CC(C)CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654725	1	40	-1.0	-38.53	313.14	5.85	-32.68
CCCCC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654726	0	40	-1.0	-38.98	319.09	5.53	-33.45
CCCCC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654726	1	40	-1.0	-38.91	319.26	5.53	-33.38
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654727	0	31	-1.0	-39.24	267.00	3.42	-35.82
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654727	1	31	-1.0	-39.15	267.16	3.42	-35.73
FC1=C2OC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=CC=C1	REAL250004654728	0	32	-1.0	-41.28	274.95	1.33	-39.95
FC1=C2OC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=CC=C1	REAL250004654728	1	32	-1.0	-41.24	275.12	1.35	-39.89
O=[N+]([O-])C1=NC=CC=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654729	0	31	-1.0	-50.07	264.57	4.68	-45.39
O=[N+]([O-])C1=NC=CC=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654729	1	31	-1.0	-50.07	264.74	4.69	-45.38
O=[N+]([O-])C1=C(N2CCN(C3=NN=N[N-]3)CC2)C=CS1	REAL250004654730	0	29	-1.0	-45.47	264.19	4.03	-41.44
O=[N+]([O-])C1=C(N2CCN(C3=N[N-]N=N3)CC2)C=CS1	REAL250004654730	1	29	-1.0	-45.46	264.36	4.04	-41.42
CC1=CC(C#N)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654731	0	33	-1.0	-40.25	281.13	3.75	-36.50
CC1=CC(C#N)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654731	1	33	-1.0	-40.19	281.29	3.75	-36.44
N#CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C2CC2)=N1	REAL250004654732	0	36	-1.0	-38.73	305.63	4.20	-34.53
N#CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C2CC2)=N1	REAL250004654732	1	36	-1.0	-38.67	305.79	4.21	-34.46
CCC1=CSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654733	0	32	-1.0	-38.48	272.64	2.81	-35.67
CCC1=CSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654733	1	32	-1.0	-38.41	272.81	2.82	-35.59
CCCOC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654734	0	38	-1.0	-39.96	310.62	3.25	-36.71
CCCOC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654734	1	38	-1.0	-39.94	310.78	3.26	-36.68
O=[N+]([O-])C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004654735	0	32	-1.0	-39.48	279.24	4.33	-35.15
O=[N+]([O-])C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004654735	1	32	-1.0	-39.42	279.41	4.33	-35.09
O=C1NN=C(Cl)C=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654736	0	29	-1.0	-39.05	264.83	0.71	-38.34
O=C1NN=C(Cl)C=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654736	1	29	-1.0	-38.99	264.99	0.70	-38.29
O=C1NN=C(Cl)C=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654737	0	29	-1.0	-39.05	264.83	0.71	-38.34
O=C1NN=C(Cl)C=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654737	1	29	-1.0	-38.99	264.99	0.70	-38.29
CC1=CN=C(C)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654738	0	34	-1.0	-39.79	278.54	2.50	-37.29
CC1=CN=C(C)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654738	1	34	-1.0	-39.74	278.71	2.51	-37.23
CCC1=CNC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C12	REAL250004654739	0	38	-1.0	-41.99	310.94	5.12	-36.87
CCC1=CNC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C12	REAL250004654739	1	38	-1.0	-42.04	310.77	5.10	-36.94
C1=NC(C2CC2)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654740	0	35	-1.0	-39.03	283.60	4.61	-34.42
C1=NC(C2CC2)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654740	1	35	-1.0	-38.97	283.76	4.62	-34.35
O=[N+]([O-])C1=NC=C(N2CCN(C3=NNN=N3)CC2)C=C1[O-]	REAL250004654741	1	32	-1.0	-46.49	274.56	2.21	-44.28
C1=CC=C2SC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654742	0	32	-1.0	-40.18	277.40	4.09	-36.09
C1=CC=C2SC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654742	1	32	-1.0	-40.14	277.57	4.10	-36.04
COC(=O)C1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654743	0	34	-1.0	-41.93	290.94	3.58	-38.35
COC(=O)C1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654743	1	34	-1.0	-41.91	291.10	3.59	-38.32
CC(C)(C)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654744	0	40	-1.0	-38.80	313.24	5.16	-33.64
CC(C)(C)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654744	1	40	-1.0	-38.73	313.40	5.17	-33.56
CCC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(CC)=N1	REAL250004654745	0	40	-1.0	-39.27	319.45	4.51	-34.76
CCC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(CC)=N1	REAL250004654745	1	40	-1.0	-39.26	319.61	4.52	-34.74
COC(=O)C1=CN=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654746	0	34	-1.0	-39.96	289.24	1.46	-38.50
COC(=O)C1=CN=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654746	1	34	-1.0	-39.92	289.41	1.46	-38.46
CC1=NSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654747	0	28	-1.0	-37.11	246.93	1.68	-35.43
CC1=NSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654747	1	28	-1.0	-37.04	247.10	1.69	-35.35
FC(F)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654748	0	31	-1.0	-38.75	268.28	3.43	-35.32
FC(F)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654748	1	31	-1.0	-38.73	268.45	3.43	-35.30
COCC1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654749	0	35	-1.0	-41.70	289.09	1.47	-40.23
COCC1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654749	1	35	-1.0	-41.64	289.26	1.47	-40.17
CN1N=CC([N+](=O)[O-])=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654750	0	32	-1.0	-41.35	268.76	2.65	-38.70
CN1N=CC([N+](=O)[O-])=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654750	1	32	-1.0	-41.31	268.92	2.66	-38.65
O=[N+]([O-])C1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL250004654751	0	31	-1.0	-37.23	271.12	3.48	-33.75
O=[N+]([O-])C1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL250004654751	1	31	-1.0	-37.21	271.28	3.49	-33.72
ClC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004654752	0	28	-1.0	-37.90	250.37	1.30	-36.60
ClC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004654752	1	28	-1.0	-37.85	250.54	1.31	-36.54
N#CC1=CC=C(Cl)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654753	0	30	-1.0	-42.56	278.72	3.76	-38.80
N#CC1=CC=C(Cl)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654753	1	30	-1.0	-42.52	278.89	3.77	-38.75
CC1=CC(F)=C(C#N)C(N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004654754	0	34	-1.0	-44.79	292.18	4.91	-39.88
CC1=CC(F)=C(C#N)C(N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004654754	1	34	-1.0	-44.74	292.34	4.92	-39.82
NC1=NC(Cl)=C(N)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654755	0	32	-1.0	-37.48	281.30	0.46	-37.02
NC1=NC(Cl)=C(N)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654755	1	32	-1.0	-37.43	281.46	0.47	-36.96
CCOC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1C	REAL250004654756	0	38	-1.0	-40.21	309.43	3.18	-37.03
CCOC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1C	REAL250004654756	1	38	-1.0	-40.16	309.60	3.19	-36.97
NC1=NC(Cl)=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654757	0	29	-1.0	-38.28	262.18	3.54	-34.74
NC1=NC(Cl)=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654757	1	29	-1.0	-38.24	262.35	3.55	-34.69
FC1=CC=C2N=C(N3CCN(C4=NN=N[N-]4)CC3)OC2=C1	REAL250004654758	0	32	-1.0	-38.07	274.96	1.12	-36.95
FC1=CC=C2N=C(N3CCN(C4=N[N-]N=N4)CC3)OC2=C1	REAL250004654758	1	32	-1.0	-38.03	275.13	1.13	-36.90
CC(C)(C)C1=NC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654759	0	39	-1.0	-38.83	312.12	6.25	-32.58
CC(C)(C)C1=NC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654759	1	39	-1.0	-38.81	312.28	6.26	-32.55
C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C2CCC2)=N1	REAL250004654760	0	38	-1.0	-39.99	301.05	4.34	-35.65
C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC(C2CCC2)=N1	REAL250004654760	1	38	-1.0	-39.98	301.22	4.35	-35.63
N#CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL250004654761	0	30	-1.0	-40.46	257.00	1.90	-38.56
N#CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL250004654761	1	30	-1.0	-40.44	257.16	1.91	-38.53
CC1=NN2C(=N1)N=CC=C2N1CCN(C2=NN=N[N-]2)CC1	REAL250004654762	0	34	-1.0	-46.22	276.90	6.67	-39.55
CC1=NN2C(=N1)N=CC=C2N1CCN(C2=N[N-]N=N2)CC1	REAL250004654762	1	34	-1.0	-46.20	277.06	6.68	-39.52
N#CC1=CC=NN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654763	0	29	-1.0	-45.62	257.41	2.07	-43.55
N#CC1=CC=NN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654763	1	29	-1.0	-45.56	257.58	2.07	-43.49
COC(=O)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654764	0	34	-1.0	-45.44	290.24	2.58	-42.86
COC(=O)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654764	1	34	-1.0	-45.38	290.41	2.59	-42.79
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654765	0	34	-1.0	-38.25	290.70	4.32	-33.93
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654765	1	34	-1.0	-38.22	290.87	4.33	-33.89
CNC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=NC=C1Cl	REAL250004654766	0	33	-1.0	-39.09	286.68	3.45	-35.64
CNC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=NC=C1Cl	REAL250004654766	1	33	-1.0	-39.05	286.85	3.45	-35.60
CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL250004654767	0	34	-1.0	-45.62	287.44	5.07	-40.55
CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654767	1	34	-1.0	-45.56	287.61	5.08	-40.48
C1=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2N=C1	REAL250004654768	0	33	-1.0	-42.98	272.49	3.39	-39.59
C1=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2N=C1	REAL250004654768	1	33	-1.0	-42.90	272.65	3.40	-39.50
CN1C=C([N+](=O)[O-])C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654769	0	32	-1.0	-47.79	279.77	3.04	-44.75
CN1C=C([N+](=O)[O-])C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654769	1	32	-1.0	-47.76	279.93	3.06	-44.70
C1=NC(CC2CC2)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654770	0	38	-1.0	-39.04	307.43	5.55	-33.49
C1=NC(CC2CC2)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654770	1	38	-1.0	-38.98	307.60	5.56	-33.42
O=CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654771	0	31	-1.0	-42.29	261.76	2.49	-39.80
O=CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654771	1	31	-1.0	-42.28	261.92	2.50	-39.78
CC1=C2N=C(N3CCN(C4=NN=N[N-]4)CC3)OC2=CC=C1	REAL250004654772	0	35	-1.0	-41.03	289.98	1.70	-39.33
CC1=C2N=C(N3CCN(C4=N[N-]N=N4)CC3)OC2=CC=C1	REAL250004654772	1	35	-1.0	-40.96	290.15	1.71	-39.25
CC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654773	0	34	-1.0	-38.82	283.22	3.89	-34.93
CC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654773	1	34	-1.0	-38.75	283.38	3.90	-34.85
C1=NN=C2C(N3CCN(C4=NN=N[N-]4)CC3)=NC=CN12	REAL250004654774	0	31	-1.0	-45.96	257.30	5.51	-40.45
C1=NN=C2C(N3CCN(C4=N[N-]N=N4)CC3)=NC=CN12	REAL250004654774	1	31	-1.0	-45.94	257.47	5.51	-40.43
FC1=CN=CC(Cl)=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654775	0	29	-1.0	-38.46	254.15	2.10	-36.36
FC1=CN=CC(Cl)=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654775	1	29	-1.0	-38.36	254.32	2.12	-36.24
CN1C(=O)C=C(N2CCN(C3=NN=N[N-]3)CC2)NC1=O	REAL250004654776	0	33	-1.0	-41.10	271.39	1.99	-39.11
CN1C(=O)C=C(N2CCN(C3=N[N-]N=N3)CC2)NC1=O	REAL250004654776	1	33	-1.0	-40.97	271.56	1.99	-38.98
CCOC1=CC=NC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654777	0	35	-1.0	-40.08	289.12	2.46	-37.62
CCOC1=CC=NC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654777	1	35	-1.0	-40.04	289.28	2.47	-37.57
CC1=NC2=NNC=C2C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654778	0	34	-1.0	-44.62	279.58	2.26	-42.36
CC1=NC2=NNC=C2C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654778	1	34	-1.0	-44.57	279.74	2.27	-42.30
CC1=C2C(=NN1)N=CN=C2N1CCN(C2=NN=N[N-]2)CC1	REAL250004654779	0	34	-1.0	-42.37	284.18	3.16	-39.21
CC1=C2C(=NN1)N=CN=C2N1CCN(C2=N[N-]N=N2)CC1	REAL250004654779	1	34	-1.0	-42.36	284.34	3.16	-39.20
O=C1C=C(N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CN=C2N1	REAL250004654780	0	35	-1.0	-45.49	291.23	3.07	-42.42
O=C1C=C(N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CN=C2N1	REAL250004654780	1	35	-1.0	-45.46	291.40	3.06	-42.40
CC1=NC=NC(N2CCN(C3=NN=N[N-]3)CC2)=C1F	REAL250004654781	0	31	-1.0	-38.46	258.52	3.21	-35.25
CC1=NC=NC(N2CCN(C3=N[N-]N=N3)CC2)=C1F	REAL250004654781	1	31	-1.0	-38.38	258.68	3.21	-35.17
C1=NN2C(=N1)N=CC=C2N1CCN(C2=NN=N[N-]2)CC1	REAL250004654782	0	31	-1.0	-45.57	254.92	6.84	-38.73
C1=NN2C(=N1)N=CC=C2N1CCN(C2=N[N-]N=N2)CC1	REAL250004654782	1	31	-1.0	-45.52	255.09	6.84	-38.68
ClC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654783	0	28	-1.0	-38.49	251.75	3.47	-35.02
ClC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654783	1	28	-1.0	-38.45	251.91	3.48	-34.97
N#CC1=NC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1C#N	REAL250004654784	0	30	-1.0	-40.74	274.16	1.37	-39.37
N#CC1=NC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1C#N	REAL250004654784	1	30	-1.0	-40.65	274.31	1.38	-39.27
CSC1=NC(C)=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654785	0	35	-1.0	-41.09	298.29	3.68	-37.41
CSC1=NC(C)=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654785	1	35	-1.0	-41.06	298.46	3.69	-37.37
OC1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C2C=C1	REAL250004654786	0	35	-1.0	-40.60	293.08	2.12	-38.48
OC1=CC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C2C=C1	REAL250004654786	1	35	-1.0	-40.57	293.25	2.13	-38.44
CN(C)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654787	1	36	-1.0	-40.90	290.07	5.05	-35.85
FC(F)C1=NN=C(N2CCN(C3=NN=N[N-]3)CC2)S1	REAL250004654788	0	28	-1.0	-39.50	260.51	1.69	-37.81
FC(F)C1=NN=C(N2CCN(C3=N[N-]N=N3)CC2)S1	REAL250004654788	1	28	-1.0	-39.47	260.67	1.70	-37.77
CCC(C)C1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654789	0	40	-1.0	-39.93	314.16	4.06	-35.87
CCC(C)C1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654789	1	40	-1.0	-39.93	313.99	4.05	-35.88
CC1=NC2=CC=CN=C2N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654791	0	36	-1.0	-45.55	298.25	3.06	-42.49
CC1=NC2=CC=CN=C2N=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654791	1	36	-1.0	-45.49	298.42	3.08	-42.41
FC(F)C1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654792	0	32	-1.0	-40.47	270.97	3.59	-36.88
FC(F)C1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654792	1	32	-1.0	-40.48	271.13	3.59	-36.89
FC1=CC(C(F)F)=CN=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654793	0	32	-1.0	-41.51	277.03	3.73	-37.78
FC1=CC(C(F)F)=CN=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654793	1	32	-1.0	-41.46	277.19	3.73	-37.73
CC1=CC(N2CCN(C3=N[N-]N=N3)CC2)=C([N+](=O)[O-])C=N1	REAL250004654794	0	34	-1.0	-42.71	287.80	4.09	-38.62
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C=N1	REAL250004654794	1	34	-1.0	-42.71	287.63	4.08	-38.63
N#CC1=CC=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL250004654795	0	30	-1.0	-40.54	259.33	3.15	-37.39
N#CC1=CC=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL250004654795	1	30	-1.0	-40.43	259.50	3.16	-37.27
O=[N+]([O-])C1=CC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654796	0	31	-1.0	-47.01	267.74	4.42	-42.59
O=[N+]([O-])C1=CC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654796	1	31	-1.0	-46.95	267.91	4.42	-42.53
C1=CN=C2SC(N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL250004654797	0	31	-1.0	-41.45	271.45	1.99	-39.46
C1=CN=C2SC(N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL250004654797	1	31	-1.0	-41.45	271.62	2.00	-39.45
C1=CN2N=CN=C(N3CCN(C4=NN=N[N-]4)CC3)C2=C1	REAL250004654798	0	32	-1.0	-40.19	262.74	5.22	-34.97
C1=CN2N=CN=C(N3CCN(C4=N[N-]N=N4)CC3)C2=C1	REAL250004654798	1	32	-1.0	-40.15	262.91	5.21	-34.94
C1=NC2=NC(N3CCN(C4=NN=N[N-]4)CC3)=NC=C2N1	REAL250004654799	0	31	-1.0	-50.78	260.54	3.63	-47.15
C1=NC2=NC(N3CCN(C4=N[N-]N=N4)CC3)=NC=C2N1	REAL250004654799	1	31	-1.0	-50.78	260.71	3.64	-47.14
COC(=O)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC=N1	REAL250004654800	0	34	-1.0	-39.96	289.63	3.17	-36.79
COC(=O)C1=CC(N2CCN(C3=N[N-]N=N3)CC2)=NC=N1	REAL250004654800	1	34	-1.0	-39.90	289.80	3.19	-36.71
CC1=CN=C(C)N=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654801	0	34	-1.0	-39.40	278.77	3.53	-35.87
CC1=CN=C(C)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654801	1	34	-1.0	-39.49	278.60	3.54	-35.95
CC1=CN=C(C#N)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654802	0	32	-1.0	-41.43	277.87	3.14	-38.29
CC1=CN=C(C#N)N=C1N1CCN(C2=N[N-]N=N2)CC1	REAL250004654802	1	32	-1.0	-41.34	278.03	3.15	-38.19
CN1N=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C21	REAL250004654803	0	34	-1.0	-38.63	283.42	2.88	-35.75
CN1N=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C21	REAL250004654803	1	34	-1.0	-38.59	283.58	2.89	-35.70
CC1=CC2=NC=NC(N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004654804	0	37	-1.0	-39.59	303.33	5.61	-33.98
CC1=CC2=NC=NC(N3CCN(C4=N[N-]N=N4)CC3)=C2C=C1	REAL250004654804	1	37	-1.0	-39.55	303.49	5.62	-33.93
CCC1=CC(C#N)=C(N2CCN(C3=NN=N[N-]3)CC2)N=C1C	REAL250004654805	0	39	-1.0	-44.15	320.70	5.06	-39.09
CCC1=CC(C#N)=C(N2CCN(C3=N[N-]N=N3)CC2)N=C1C	REAL250004654805	1	39	-1.0	-44.08	320.87	5.07	-39.01
CC(C)C1=CC=C(C#N)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654806	0	39	-1.0	-44.77	322.43	5.03	-39.74
CC(C)C1=CC=C(C#N)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654806	1	39	-1.0	-44.73	322.59	5.03	-39.70
CCC1=NC(N2CCN(C3=NN=N[N-]3)CC2)=C(C#N)C=C1C	REAL250004654807	0	39	-1.0	-44.61	322.39	5.08	-39.53
CCC1=NC(N2CCN(C3=N[N-]N=N3)CC2)=C(C#N)C=C1C	REAL250004654807	1	39	-1.0	-44.61	322.56	5.08	-39.53
CC1=CSC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654808	0	29	-1.0	-38.56	251.13	2.07	-36.49
CC1=CSC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654808	1	29	-1.0	-38.54	251.29	2.08	-36.46
CSC1=NC=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654809	0	32	-1.0	-41.22	276.59	3.07	-38.15
CSC1=NC=CC(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654809	1	32	-1.0	-41.16	276.76	3.07	-38.09
C1=NC2=C(CCO2)C(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654810	0	33	-1.0	-40.05	272.92	0.85	-39.20
C1=NC2=C(CCO2)C(N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004654810	1	33	-1.0	-40.02	273.09	0.86	-39.16
N#CC1=CN=C(N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004654811	0	29	-1.0	-39.32	254.38	1.18	-38.14
N#CC1=CN=C(N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004654811	1	29	-1.0	-39.25	254.55	1.19	-38.06
CN1C=NC2=C(N3CCN(C4=NN=N[N-]4)CC3)N=CN=C21	REAL250004654812	0	34	-1.0	-45.67	281.00	5.12	-40.55
CN1C=NC2=C(N3CCN(C4=N[N-]N=N4)CC3)N=CN=C21	REAL250004654812	1	34	-1.0	-45.61	281.17	5.14	-40.47
O=C1C=C(N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL250004654813	0	35	-1.0	-45.04	292.52	6.41	-38.63
O=C1C=C(N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CC=C2O1	REAL250004654813	1	35	-1.0	-45.05	292.69	6.40	-38.65
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654814	0	34	-1.0	-40.71	302.30	5.29	-35.42
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654814	1	34	-1.0	-40.72	302.36	5.30	-35.42
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL250004654815	0	33	-1.0	-38.62	278.49	4.34	-34.28
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL250004654815	1	33	-1.0	-38.63	278.55	4.36	-34.27
O=[N+]([O-])C1=CC=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654816	0	33	-1.0	-45.36	278.72	5.60	-39.76
O=[N+]([O-])C1=CC=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654816	1	33	-1.0	-45.37	278.78	5.62	-39.75
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654817	0	32	-1.0	-45.07	272.67	4.86	-40.21
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654817	1	32	-1.0	-45.09	272.61	4.84	-40.25
N#CC1=C(F)C=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654818	0	32	-1.0	-44.27	276.97	4.50	-39.77
N#CC1=C(F)C=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654818	1	32	-1.0	-44.31	277.03	4.50	-39.81
C1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2S1	REAL250004654819	0	32	-1.0	-39.26	276.39	4.23	-35.03
C1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2S1	REAL250004654819	1	32	-1.0	-39.26	276.33	4.21	-35.05
C1=CC2=NC=C(N3CCC(CC4=NN=N[N-]4)C3)N=C2C=C1	REAL250004654820	0	35	-1.0	-41.22	289.96	3.47	-37.75
C1=CC2=NC=C(N3CCC(CC4=N[N-]N=N4)C3)N=C2C=C1	REAL250004654820	1	35	-1.0	-41.19	289.90	3.45	-37.74
O=[N+]([O-])C1=CC(F)=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654821	0	33	-1.0	-42.04	283.18	5.62	-36.42
O=[N+]([O-])C1=CC(F)=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654821	1	33	-1.0	-42.04	283.24	5.63	-36.41
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL250004654822	0	34	-1.0	-44.71	299.55	6.01	-38.70
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL250004654822	1	34	-1.0	-44.72	299.61	6.03	-38.69
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654823	0	32	-1.0	-38.50	277.01	3.95	-34.55
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654823	1	32	-1.0	-38.51	276.95	3.92	-34.59
C1=CC=C2OC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004654824	0	33	-1.0	-44.55	277.05	1.36	-43.19
C1=CC=C2OC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004654824	1	33	-1.0	-44.52	277.00	1.34	-43.18
C1=CC=C2SC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004654825	0	33	-1.0	-42.89	283.55	4.09	-38.80
C1=CC=C2SC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004654825	1	33	-1.0	-42.86	283.48	4.09	-38.77
CN1C=NC([N+](=O)[O-])=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654826	0	33	-1.0	-47.49	275.33	5.41	-42.08
CN1C=NC([N+](=O)[O-])=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654826	1	33	-1.0	-47.47	275.26	5.41	-42.06
C1=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2C=C1	REAL250004654827	0	35	-1.0	-39.92	283.31	5.07	-34.85
C1=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2C=C1	REAL250004654827	1	35	-1.0	-39.85	283.25	5.06	-34.79
COC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654828	0	33	-1.0	-43.14	274.59	1.72	-41.42
COC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654828	1	33	-1.0	-43.10	274.52	1.72	-41.38
C1=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2S1	REAL250004654829	0	32	-1.0	-39.69	277.09	4.18	-35.51
C1=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2S1	REAL250004654829	1	32	-1.0	-39.68	277.03	4.15	-35.53
N#CC1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654830	0	31	-1.0	-43.16	264.61	3.56	-39.60
N#CC1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654830	1	31	-1.0	-43.16	264.56	3.54	-39.62
CC1=NC2=NC=NN2C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654831	0	35	-1.0	-45.56	291.69	7.77	-37.79
CC1=NC2=NC=NN2C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654831	1	35	-1.0	-45.54	291.75	7.79	-37.75
CN1N=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004654832	0	35	-1.0	-39.90	289.88	3.83	-36.07
CN1N=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004654832	1	35	-1.0	-39.88	289.82	3.81	-36.07
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654833	0	31	-1.0	-39.54	269.32	3.69	-35.85
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654833	1	31	-1.0	-39.54	269.26	3.66	-35.88
C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NN2N=NN=C12	REAL250004654834	0	31	-1.0	-45.21	269.37	2.61	-42.60
C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NN2N=NN=C12	REAL250004654834	1	31	-1.0	-45.17	269.31	2.60	-42.57
ClC1=CN=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654835	0	29	-1.0	-37.36	259.62	1.68	-35.68
ClC1=CN=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654835	1	29	-1.0	-37.32	259.55	1.67	-35.65
C1=C2C(=NN1)N=CN=C2N1CCC(CC2=N[N-]N=N2)C1	REAL250004654836	0	32	-1.0	-44.63	268.15	2.78	-41.85
C1=C2C(=NN1)N=CN=C2N1CCC(CC2=NN=N[N-]2)C1	REAL250004654836	1	32	-1.0	-44.68	268.21	2.81	-41.87
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL250004654837	0	33	-1.0	-37.70	288.48	4.74	-32.96
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL250004654837	1	33	-1.0	-37.71	288.54	4.76	-32.95
CC1=CN2N=C(N3CCC(CC4=N[N-]N=N4)C3)SC2=N1	REAL250004654838	0	33	-1.0	-42.91	293.48	5.02	-37.89
CC1=CN2N=C(N3CCC(CC4=NN=N[N-]4)C3)SC2=N1	REAL250004654838	1	33	-1.0	-42.91	293.54	5.04	-37.87
NC1=NC(Cl)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654839	0	31	-1.0	-37.56	275.74	2.87	-34.69
NC1=NC(Cl)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654839	1	31	-1.0	-37.56	275.68	2.85	-34.71
FC(F)(F)C1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654840	0	32	-1.0	-41.98	284.88	4.23	-37.75
FC(F)(F)C1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654840	1	32	-1.0	-41.97	284.82	4.21	-37.76
CC1=NN=C(N2CCC(CC3=N[N-]N=N3)C2)C(C#N)=C1C	REAL250004654842	0	36	-1.0	-42.34	296.78	3.29	-39.05
CC1=NN=C(N2CCC(CC3=NN=N[N-]3)C2)C(C#N)=C1C	REAL250004654842	1	36	-1.0	-42.32	296.83	3.31	-39.01
NC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1[N+](=O)[O-]	REAL250004654843	0	33	-1.0	-40.60	283.16	2.74	-37.86
NC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1[N+](=O)[O-]	REAL250004654843	1	33	-1.0	-40.64	283.10	2.72	-37.92
N#CC1=C(N2CCC(CC3=NN=N[N-]3)C2)SN=C1Cl	REAL250004654844	0	28	-1.0	-38.36	270.80	2.03	-36.33
N#CC1=C(N2CCC(CC3=N[N-]N=N3)C2)SN=C1Cl	REAL250004654844	1	28	-1.0	-38.41	270.74	2.00	-36.41
CC1=NN(C)C(N2CCC(CC3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL250004654845	0	36	-1.0	-39.53	296.84	3.36	-36.17
CC1=NN(C)C(N2CCC(CC3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL250004654845	1	36	-1.0	-39.54	296.90	3.37	-36.17
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL250004654846	0	36	-1.0	-38.50	293.50	4.94	-33.56
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL250004654846	1	36	-1.0	-38.54	293.56	4.96	-33.58
CCC1=NC2=NC=NN2C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654847	0	38	-1.0	-45.40	311.75	8.80	-36.60
CCC1=NC2=NC=NN2C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654847	1	38	-1.0	-45.38	311.81	8.82	-36.56
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654848	0	32	-1.0	-45.07	272.67	4.86	-40.21
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654848	1	32	-1.0	-45.09	272.61	4.84	-40.25
FC1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL250004654849	0	35	-1.0	-38.81	296.39	5.49	-33.32
FC1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL250004654849	1	35	-1.0	-38.82	296.33	5.47	-33.35
CC1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL250004654850	0	38	-1.0	-39.96	311.35	6.08	-33.88
CC1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL250004654850	1	38	-1.0	-39.92	311.29	6.05	-33.87
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=C2C=NN(C)C2=N1	REAL250004654851	0	38	-1.0	-40.16	311.58	3.76	-36.40
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=C2C=NN(C)C2=N1	REAL250004654851	1	38	-1.0	-40.19	311.63	3.78	-36.41
FC1=CC=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C12	REAL250004654852	0	35	-1.0	-42.31	295.16	5.94	-36.37
FC1=CC=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C12	REAL250004654852	1	35	-1.0	-42.33	295.11	5.92	-36.41
O=[N+]([O-])C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654853	0	31	-1.0	-40.24	272.79	3.72	-36.52
O=[N+]([O-])C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654853	1	31	-1.0	-40.19	272.73	3.69	-36.50
CC1=NC([N+](=O)[O-])=C(N2CCC(CC3=N[N-]N=N3)C2)N1C	REAL250004654854	0	36	-1.0	-46.77	296.16	5.25	-41.52
CC1=NC([N+](=O)[O-])=C(N2CCC(CC3=NN=N[N-]3)C2)N1C	REAL250004654854	1	36	-1.0	-46.80	296.22	5.25	-41.55
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654855	0	32	-1.0	-38.50	277.01	3.95	-34.55
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654855	1	32	-1.0	-38.51	276.95	3.92	-34.59
C1=NC2=CC=C(N3CCC(CC4=NN=N[N-]4)C3)N=C2N=C1	REAL250004654856	0	34	-1.0	-46.08	284.61	2.56	-43.52
C1=NC2=CC=C(N3CCC(CC4=N[N-]N=N4)C3)N=C2N=C1	REAL250004654856	1	34	-1.0	-46.06	284.56	2.54	-43.52
N#CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1Cl	REAL250004654857	0	31	-1.0	-41.15	285.05	3.99	-37.16
N#CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1Cl	REAL250004654857	1	31	-1.0	-41.20	284.99	3.96	-37.24
C1=NC2=C(CCC2)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654858	0	36	-1.0	-39.92	280.48	3.95	-35.97
C1=NC2=C(CCC2)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654858	1	36	-1.0	-39.95	280.53	3.97	-35.98
N#CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C(Cl)=C1	REAL250004654859	0	31	-1.0	-38.68	285.46	4.25	-34.43
N#CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C(Cl)=C1	REAL250004654859	1	31	-1.0	-38.67	285.40	4.24	-34.43
N#CC1=NC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654860	0	30	-1.0	-43.15	259.49	1.62	-41.53
N#CC1=NC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654860	1	30	-1.0	-43.17	259.43	1.60	-41.57
CC1=NC(C)=C(F)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654861	0	35	-1.0	-38.15	290.13	3.62	-34.53
CC1=NC(C)=C(F)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654861	1	35	-1.0	-38.16	290.18	3.64	-34.52
CN1C=NC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004654862	0	35	-1.0	-45.26	291.37	5.42	-39.84
CN1C=NC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004654862	1	35	-1.0	-45.27	291.32	5.39	-39.88
CCN1C=NC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004654863	0	38	-1.0	-45.11	313.17	6.33	-38.78
CCN1C=NC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004654863	1	38	-1.0	-45.13	313.11	6.30	-38.83
CC1=NC(Cl)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654864	0	32	-1.0	-37.12	282.22	3.43	-33.69
CC1=NC(Cl)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654864	1	32	-1.0	-37.08	282.27	3.45	-33.63
C1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2N1	REAL250004654865	0	33	-1.0	-42.23	272.21	4.01	-38.22
C1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2N1	REAL250004654865	1	33	-1.0	-42.24	272.27	4.03	-38.21
CC1=CC([N+](=O)[O-])=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654866	0	35	-1.0	-37.94	297.27	4.81	-33.13
CC1=CC([N+](=O)[O-])=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654866	1	35	-1.0	-37.97	297.20	4.81	-33.16
N#CC1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654867	0	31	-1.0	-43.16	264.61	3.56	-39.60
N#CC1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654867	1	31	-1.0	-43.16	264.56	3.54	-39.62
N#CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004654868	0	30	-1.0	-38.51	264.41	1.72	-36.79
N#CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004654868	1	30	-1.0	-38.49	264.35	1.70	-36.79
CC(C)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654869	0	38	-1.0	-39.28	306.10	4.10	-35.18
CC(C)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654869	1	38	-1.0	-39.31	306.17	4.11	-35.20
CC(C)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654870	0	38	-1.0	-38.33	303.84	4.92	-33.41
CC(C)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654870	1	38	-1.0	-38.37	303.89	4.94	-33.43
C1=CC=C2SC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004654871	0	33	-1.0	-42.89	283.55	4.09	-38.80
C1=CC=C2SC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004654871	1	33	-1.0	-42.86	283.48	4.09	-38.77
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C2CC2)=N1	REAL250004654872	0	39	-1.0	-39.66	317.51	5.30	-34.36
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CC2)=N1	REAL250004654872	1	39	-1.0	-39.70	317.56	5.33	-34.37
COC1=CC(C)=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654873	0	36	-1.0	-43.28	297.67	2.63	-40.65
COC1=CC(C)=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654873	1	36	-1.0	-43.31	297.73	2.65	-40.66
CC1=NC2=NC=NN2C(N2CCC(CC3=N[N-]N=N3)C2)=C1C	REAL250004654874	0	38	-1.0	-44.98	310.07	8.46	-36.52
CC1=NC2=NC=NN2C(N2CCC(CC3=NN=N[N-]3)C2)=C1C	REAL250004654874	1	38	-1.0	-45.00	310.13	8.49	-36.51
CC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654875	0	29	-1.0	-39.45	255.50	1.87	-37.58
CC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654875	1	29	-1.0	-39.48	255.55	1.89	-37.59
COCC1=NC(C)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654876	0	39	-1.0	-41.02	320.63	2.60	-38.42
COCC1=NC(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654876	1	39	-1.0	-41.01	320.69	2.63	-38.38
FC1=CC=C2OC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004654877	0	33	-1.0	-45.41	283.76	1.59	-43.82
FC1=CC=C2OC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004654877	1	33	-1.0	-45.41	283.71	1.56	-43.85
CC1=CC=C2OC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004654878	0	36	-1.0	-44.60	298.79	1.79	-42.81
CC1=CC=C2OC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004654878	1	36	-1.0	-44.65	298.85	1.82	-42.83
C1=CC2=NC=C(N3CCC(CC4=NN=N[N-]4)C3)N=C2C=C1	REAL250004654879	0	35	-1.0	-41.22	289.96	3.47	-37.75
C1=CC2=NC=C(N3CCC(CC4=N[N-]N=N4)C3)N=C2C=C1	REAL250004654879	1	35	-1.0	-41.19	289.90	3.45	-37.74
CCC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C)=N1	REAL250004654880	1	38	-1.0	-38.86	307.81	4.41	-34.45
CCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C)=N1	REAL250004654880	1	38	-1.0	-38.88	307.86	4.44	-34.44
CC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL250004654881	0	35	-1.0	-44.68	293.89	4.58	-40.10
CC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL250004654881	1	35	-1.0	-44.62	293.94	4.60	-40.02
C1=NN=C2C(N3CCC(CC4=NN=N[N-]4)C3)=NC=CN12	REAL250004654882	0	32	-1.0	-45.52	272.25	5.76	-39.76
C1=NN=C2C(N3CCC(CC4=N[N-]N=N4)C3)=NC=CN12	REAL250004654882	1	32	-1.0	-45.55	272.19	5.75	-39.80
C1=CN(C2=CC(N3CCC(CC4=N[N-]N=N4)C3)=NC=N2)C=N1	REAL250004654883	0	36	-1.0	-40.25	301.93	6.53	-33.72
C1=CN(C2=CC(N3CCC(CC4=NN=N[N-]4)C3)=NC=N2)C=N1	REAL250004654883	1	36	-1.0	-40.28	301.99	6.56	-33.72
CC1=NN=C2C(N3CCC(CC4=N[N-]N=N4)C3)=NC=CN12	REAL250004654884	0	35	-1.0	-45.86	294.02	5.52	-40.34
CC1=NN=C2C(N3CCC(CC4=NN=N[N-]4)C3)=NC=CN12	REAL250004654884	1	35	-1.0	-45.89	294.08	5.53	-40.36
CN1C=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004654886	0	33	-1.0	-45.21	275.17	3.36	-41.85
CN1C=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004654886	1	33	-1.0	-45.18	275.11	3.34	-41.84
CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL250004654887	0	35	-1.0	-43.82	295.12	5.57	-38.25
CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL250004654887	1	35	-1.0	-43.83	295.06	5.55	-38.28
CCC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654888	0	32	-1.0	-39.44	276.98	2.48	-36.96
CCC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654888	1	32	-1.0	-39.45	277.04	2.50	-36.95
CC1=NC(C)=C(C)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654889	1	38	-1.0	-39.81	298.10	4.31	-35.50
CC1=NC(C)=C(C)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654889	1	38	-1.0	-39.80	298.16	4.33	-35.47
CC1=CC=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C12	REAL250004654890	0	38	-1.0	-41.68	305.59	7.48	-34.20
CC1=CC=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C12	REAL250004654890	1	38	-1.0	-41.70	305.64	7.51	-34.19
CC(C)C1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654891	0	35	-1.0	-39.51	295.30	3.07	-36.44
CC(C)C1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654891	1	35	-1.0	-39.56	295.37	3.08	-36.48
C(C1=N[N-]N=N1)C1CCN(C2=NC(C3CC3)=NS2)C1	REAL250004654892	0	33	-1.0	-39.91	286.63	3.54	-36.37
C(C1=NN=N[N-]1)C1CCN(C2=NC(C3CC3)=NS2)C1	REAL250004654892	1	33	-1.0	-39.90	286.68	3.56	-36.34
CC(C)(C)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654893	0	41	-1.0	-38.73	325.41	4.69	-34.04
CC(C)(C)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654893	1	41	-1.0	-38.76	325.47	4.70	-34.06
COCCC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654894	0	36	-1.0	-38.74	310.65	1.55	-37.19
COCCC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654894	1	36	-1.0	-38.77	310.71	1.57	-37.20
ClC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654895	0	29	-1.0	-41.50	261.07	3.58	-37.92
ClC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654895	1	29	-1.0	-41.54	261.01	3.55	-37.99
C1=CN2N=NN=C2C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654896	0	31	-1.0	-42.97	266.94	2.62	-40.35
C1=CN2N=NN=C2C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654896	1	31	-1.0	-42.94	266.88	2.60	-40.34
CC1=NC2=C(CCCC2)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654897	0	42	-1.0	-39.16	322.25	5.47	-33.69
CC1=NC2=C(CCCC2)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654897	1	42	-1.0	-39.15	322.31	5.49	-33.66
N#CC1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654898	0	31	-1.0	-43.16	264.61	3.56	-39.60
N#CC1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654898	1	31	-1.0	-43.16	264.56	3.54	-39.62
N#CC1=CC=C([N+](=O)[O-])C=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654899	0	34	-1.0	-43.29	299.21	5.14	-38.15
N#CC1=CC=C([N+](=O)[O-])C=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654899	1	34	-1.0	-43.33	299.27	5.14	-38.19
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1[N+](=O)[O-]	REAL250004654900	0	35	-1.0	-38.32	293.12	4.44	-33.88
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1[N+](=O)[O-]	REAL250004654900	1	35	-1.0	-38.30	293.18	4.47	-33.83
COC1=NC(C)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654901	0	36	-1.0	-41.52	297.32	0.58	-40.94
COC1=NC(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654901	1	36	-1.0	-41.49	297.37	0.61	-40.88
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1[N+](=O)[O-]	REAL250004654902	0	35	-1.0	-38.32	293.12	4.44	-33.88
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1[N+](=O)[O-]	REAL250004654902	1	35	-1.0	-38.30	293.18	4.47	-33.83
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654903	0	32	-1.0	-45.07	272.67	4.86	-40.21
O=[N+]([O-])C1=CC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654903	1	32	-1.0	-45.09	272.61	4.84	-40.25
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL250004654904	0	35	-1.0	-38.21	295.84	4.49	-33.72
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL250004654904	1	35	-1.0	-38.22	295.90	4.52	-33.70
N#CC1=NC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654905	0	30	-1.0	-43.15	259.49	1.62	-41.53
N#CC1=NC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654905	1	30	-1.0	-43.17	259.43	1.60	-41.57
CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654906	0	36	-1.0	-44.52	300.23	6.27	-38.25
CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654906	1	36	-1.0	-44.53	300.29	6.29	-38.24
CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654907	0	35	-1.0	-44.47	294.21	5.44	-39.03
CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654907	1	35	-1.0	-44.46	294.27	5.46	-39.00
CC1=CC(C)=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654908	0	35	-1.0	-46.15	286.66	4.52	-41.63
CC1=CC(C)=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654908	1	35	-1.0	-46.13	286.72	4.54	-41.59
C1=NC2=C(CCCC2)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654909	0	39	-1.0	-38.89	306.65	5.79	-33.10
C1=NC2=C(CCCC2)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654909	1	39	-1.0	-38.88	306.71	5.81	-33.07
CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL250004654910	0	36	-1.0	-44.16	298.16	6.22	-37.94
CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL250004654910	1	36	-1.0	-44.15	298.23	6.22	-37.93
O=[N+]([O-])C1=C(N2CCC(CC3=N[N-]N=N3)C2)SC=C1	REAL250004654911	0	30	-1.0	-39.49	271.85	4.46	-35.03
O=[N+]([O-])C1=C(N2CCC(CC3=NN=N[N-]3)C2)SC=C1	REAL250004654911	1	30	-1.0	-39.46	271.91	4.49	-34.97
COCC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654912	0	36	-1.0	-38.94	296.69	2.90	-36.04
COCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654912	1	36	-1.0	-38.95	296.75	2.92	-36.03
CC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=C1C#N	REAL250004654913	0	34	-1.0	-43.50	284.91	3.90	-39.60
CC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=C1C#N	REAL250004654913	1	34	-1.0	-43.50	284.96	3.93	-39.57
CCC1=CC(C)=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654914	0	38	-1.0	-41.45	307.05	5.13	-36.32
CCC1=CC(C)=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654914	1	38	-1.0	-41.43	307.12	5.14	-36.29
CCN1C=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004654915	0	36	-1.0	-45.35	296.98	4.30	-41.05
CCN1C=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004654915	1	36	-1.0	-45.33	296.92	4.28	-41.05
CCC1=NC=NC(N2CCC(CC3=N[N-]N=N3)C2)=C1F	REAL250004654916	0	35	-1.0	-37.71	289.77	4.42	-33.29
CCC1=NC=NC(N2CCC(CC3=NN=N[N-]3)C2)=C1F	REAL250004654916	1	35	-1.0	-37.75	289.83	4.45	-33.30
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL250004654917	0	34	-1.0	-44.71	299.55	6.01	-38.70
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL250004654917	1	34	-1.0	-44.72	299.61	6.03	-38.69
N#CC1=CC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654918	0	31	-1.0	-42.89	269.63	3.58	-39.31
N#CC1=CC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654918	1	31	-1.0	-42.90	269.58	3.56	-39.34
FC(F)(F)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004654919	0	32	-1.0	-40.59	283.50	3.02	-37.57
FC(F)(F)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004654919	1	32	-1.0	-40.58	283.45	3.00	-37.58
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654920	0	34	-1.0	-40.71	302.30	5.29	-35.42
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654920	1	34	-1.0	-40.72	302.36	5.30	-35.42
FC(F)(F)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004654921	0	32	-1.0	-40.59	283.50	3.02	-37.57
FC(F)(F)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004654921	1	32	-1.0	-40.58	283.45	3.00	-37.58
N#CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654922	0	34	-1.0	-44.35	299.61	6.00	-38.35
N#CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654922	1	34	-1.0	-44.39	299.67	6.02	-38.37
N#CC1=CN=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654923	0	31	-1.0	-42.24	263.87	2.29	-39.95
N#CC1=CN=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654923	1	31	-1.0	-42.22	263.81	2.26	-39.96
CCOC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654924	0	36	-1.0	-38.20	297.70	2.50	-35.70
CCOC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654924	1	36	-1.0	-38.19	297.64	2.48	-35.71
ClC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004654925	0	27	-1.0	-37.14	254.32	2.25	-34.89
ClC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004654925	1	27	-1.0	-37.14	254.26	2.23	-34.91
CC(C)(C)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654926	0	41	-1.0	-38.73	325.41	4.69	-34.04
CC(C)(C)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654926	1	41	-1.0	-38.76	325.47	4.70	-34.06
N#CC1=C(Cl)N=C(N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004654927	0	28	-1.0	-42.69	275.18	3.10	-39.59
N#CC1=C(Cl)N=C(N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004654927	1	28	-1.0	-42.64	275.12	3.10	-39.54
N#CC1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654928	0	30	-1.0	-40.92	263.89	2.50	-38.42
N#CC1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654928	1	30	-1.0	-40.92	263.83	2.50	-38.42
N#CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654929	0	30	-1.0	-38.09	264.55	3.40	-34.69
N#CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654929	1	30	-1.0	-38.07	264.49	3.38	-34.69
FC(F)(F)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654930	0	33	-1.0	-37.74	287.53	4.25	-33.49
FC(F)(F)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654930	1	33	-1.0	-37.74	287.47	4.22	-33.52
O=[N+]([O-])C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004654931	0	29	-1.0	-41.05	267.87	2.99	-38.06
O=[N+]([O-])C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004654931	1	29	-1.0	-41.06	267.81	2.99	-38.07
CC1=NN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1C	REAL250004654932	0	34	-1.0	-50.08	276.25	3.02	-47.06
CC1=NN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1C	REAL250004654932	1	34	-1.0	-50.11	276.32	3.02	-47.09
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL250004654933	0	35	-1.0	-38.21	295.84	4.49	-33.72
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL250004654933	1	35	-1.0	-38.22	295.90	4.52	-33.70
ClC1=CN=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654934	0	29	-1.0	-37.47	255.14	3.56	-33.91
ClC1=CN=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654934	1	29	-1.0	-37.48	255.08	3.53	-33.95
CCC1=NN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1CC	REAL250004654935	0	40	-1.0	-49.13	317.50	4.42	-44.71
CCC1=NN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1CC	REAL250004654935	1	40	-1.0	-49.14	317.56	4.42	-44.72
CC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654936	0	29	-1.0	-39.45	255.50	1.87	-37.58
CC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654936	1	29	-1.0	-39.48	255.55	1.89	-37.59
N#CC1=CC=CC(C#N)=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654937	0	33	-1.0	-49.08	286.74	4.35	-44.73
N#CC1=CC=CC(C#N)=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654937	1	33	-1.0	-49.08	286.81	4.38	-44.70
CC(C)(C)C1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654938	0	38	-1.0	-39.72	316.32	3.68	-36.04
CC(C)(C)C1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654938	1	38	-1.0	-39.71	316.26	3.65	-36.06
COC(=O)C1=CN=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654939	0	35	-1.0	-41.80	297.24	4.53	-37.27
COC(=O)C1=CN=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654939	1	35	-1.0	-41.83	297.18	4.51	-37.32
C1=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2S1	REAL250004654940	0	32	-1.0	-39.69	277.09	4.18	-35.51
C1=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2S1	REAL250004654940	1	32	-1.0	-39.68	277.03	4.15	-35.53
COC(=O)C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654941	0	35	-1.0	-42.28	299.30	3.74	-38.54
COC(=O)C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654941	1	35	-1.0	-42.30	299.24	3.72	-38.58
FC1=C2N=C(N3CCC(CC4=NN=N[N-]4)C3)OC2=CC=C1	REAL250004654942	0	33	-1.0	-47.95	284.72	1.19	-46.76
FC1=C2N=C(N3CCC(CC4=N[N-]N=N4)C3)OC2=CC=C1	REAL250004654942	1	33	-1.0	-47.95	284.66	1.17	-46.78
CN1N=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004654943	0	35	-1.0	-39.90	289.88	3.83	-36.07
CN1N=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004654943	1	35	-1.0	-39.88	289.82	3.81	-36.07
CC1=NN=C(N2CCC(CC3=N[N-]N=N3)C2)C(C#N)=C1C	REAL250004654944	0	36	-1.0	-42.34	296.78	3.29	-39.05
CC1=NN=C(N2CCC(CC3=NN=N[N-]3)C2)C(C#N)=C1C	REAL250004654944	1	36	-1.0	-42.32	296.83	3.31	-39.01
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(CO)=N1	REAL250004654945	0	36	-1.0	-41.95	298.38	0.20	-41.75
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(CO)=N1	REAL250004654945	1	36	-1.0	-42.03	298.44	0.22	-41.81
CC1=NOC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C12	REAL250004654946	0	34	-1.0	-38.26	278.61	2.04	-36.22
CC1=NOC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C12	REAL250004654946	1	34	-1.0	-38.27	278.67	2.06	-36.21
C1=CC2=CN=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2C=C1	REAL250004654947	0	35	-1.0	-44.54	290.05	4.57	-39.97
C1=CC2=CN=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2C=C1	REAL250004654947	1	35	-1.0	-44.52	289.99	4.55	-39.97
COC(=O)C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654948	0	35	-1.0	-42.28	299.30	3.74	-38.54
COC(=O)C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654948	1	35	-1.0	-42.30	299.24	3.72	-38.58
N#CC1=CN=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654949	0	30	-1.0	-39.89	259.89	3.37	-36.52
N#CC1=CN=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654949	1	30	-1.0	-39.88	259.84	3.34	-36.54
O=[N+]([O-])C1=CC=[N+]([O-])C=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654950	0	33	-1.0	-47.94	286.40	4.09	-43.85
O=[N+]([O-])C1=CC=[N+]([O-])C=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654950	1	33	-1.0	-47.95	286.45	4.12	-43.83
CC1=CC=C(C#N)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654951	0	34	-1.0	-42.75	286.15	4.15	-38.60
CC1=CC=C(C#N)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654951	1	34	-1.0	-42.81	286.20	4.17	-38.64
CC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=C1C#N	REAL250004654952	0	31	-1.0	-38.60	274.75	2.13	-36.47
CC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=C1C#N	REAL250004654952	1	31	-1.0	-38.59	274.81	2.15	-36.44
O=[N+]([O-])C1=CC=CC(F)=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654953	0	33	-1.0	-45.16	279.33	5.53	-39.63
O=[N+]([O-])C1=CC=CC(F)=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654953	1	33	-1.0	-45.16	279.40	5.53	-39.63
CCC1=NC(C)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654954	1	38	-1.0	-39.12	308.46	4.24	-34.88
CCC1=NC(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654954	1	38	-1.0	-39.17	308.51	4.27	-34.90
C1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2C=N1	REAL250004654955	0	34	-1.0	-38.42	278.96	3.40	-35.02
C1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2C=N1	REAL250004654955	1	34	-1.0	-38.42	278.90	3.37	-35.05
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654956	0	31	-1.0	-39.54	269.32	3.69	-35.85
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654956	1	31	-1.0	-39.54	269.26	3.66	-35.88
N#CC1=CC=CC(N2CCC(CC3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL250004654957	0	34	-1.0	-49.34	301.42	5.10	-44.24
N#CC1=CC=CC(N2CCC(CC3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL250004654957	1	34	-1.0	-49.35	301.49	5.11	-44.24
CC1=NC(C#N)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654958	0	33	-1.0	-37.81	286.32	3.31	-34.50
CC1=NC(C#N)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654958	1	33	-1.0	-37.84	286.38	3.33	-34.51
CCC1=NC(C#N)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654959	0	36	-1.0	-37.59	307.82	3.92	-33.67
CCC1=NC(C#N)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654959	1	36	-1.0	-37.53	307.88	3.95	-33.58
CC1=CC(C#N)=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654960	0	34	-1.0	-39.22	289.60	4.56	-34.66
CC1=CC(C#N)=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654960	1	34	-1.0	-39.23	289.53	4.55	-34.68
CC1=C2OC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=CC=C1	REAL250004654961	0	36	-1.0	-46.52	299.64	1.78	-44.74
CC1=C2OC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=CC=C1	REAL250004654961	1	36	-1.0	-46.53	299.70	1.79	-44.74
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004654962	0	30	-1.0	-41.88	264.60	2.35	-39.53
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004654962	1	30	-1.0	-41.88	264.54	2.33	-39.55
FC(F)(F)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004654963	0	32	-1.0	-40.59	283.50	3.02	-37.57
FC(F)(F)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004654963	1	32	-1.0	-40.58	283.45	3.00	-37.58
N#CC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654964	0	30	-1.0	-42.56	263.28	3.55	-39.01
N#CC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654964	1	30	-1.0	-42.55	263.22	3.54	-39.01
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1C#N	REAL250004654965	0	34	-1.0	-39.02	288.62	4.11	-34.91
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1C#N	REAL250004654965	1	34	-1.0	-39.02	288.68	4.13	-34.89
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654966	0	34	-1.0	-40.71	302.30	5.29	-35.42
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654966	1	34	-1.0	-40.72	302.36	5.30	-35.42
N#CC1=C(Cl)SC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654967	0	28	-1.0	-35.30	274.26	2.65	-32.65
N#CC1=C(Cl)SC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654967	1	28	-1.0	-35.32	274.19	2.65	-32.67
CCCC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654968	0	35	-1.0	-39.19	298.48	3.26	-35.93
CCCC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654968	1	35	-1.0	-39.23	298.54	3.28	-35.95
CCCC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654969	0	35	-1.0	-39.19	298.48	3.26	-35.93
CCCC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654969	1	35	-1.0	-39.23	298.54	3.28	-35.95
COC(=O)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654970	0	35	-1.0	-44.26	299.43	2.97	-41.29
COC(=O)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654970	1	35	-1.0	-44.28	299.37	2.96	-41.32
CC(C)(C)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654971	0	41	-1.0	-38.21	323.12	5.67	-32.54
CC(C)(C)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654971	1	41	-1.0	-38.26	323.18	5.69	-32.57
CC1=CN=C(C)N=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654972	0	35	-1.0	-39.40	286.72	3.90	-35.50
CC1=CN=C(C)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654972	1	35	-1.0	-39.43	286.78	3.92	-35.51
CCOC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C)=N1	REAL250004654973	0	39	-1.0	-38.42	319.47	2.42	-36.00
CCOC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C)=N1	REAL250004654973	1	39	-1.0	-38.42	319.53	2.44	-35.98
N#CC1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654974	0	30	-1.0	-40.92	263.89	2.50	-38.42
N#CC1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654974	1	30	-1.0	-40.92	263.83	2.50	-38.42
O=[N+]([O-])C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL250004654975	0	32	-1.0	-37.08	276.71	3.17	-33.91
O=[N+]([O-])C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL250004654975	1	32	-1.0	-37.08	276.64	3.16	-33.92
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1C#N	REAL250004654976	0	34	-1.0	-38.99	288.65	4.17	-34.82
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1C#N	REAL250004654976	1	34	-1.0	-39.00	288.71	4.20	-34.80
CN1N=NC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004654977	0	34	-1.0	-41.10	286.84	2.54	-38.56
CN1N=NC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004654977	1	34	-1.0	-41.07	286.79	2.51	-38.56
C1=NC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2S1	REAL250004654978	0	31	-1.0	-41.32	273.72	2.56	-38.76
C1=NC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2S1	REAL250004654978	1	31	-1.0	-41.33	273.66	2.54	-38.79
COC(=O)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=N1	REAL250004654979	0	35	-1.0	-41.39	299.44	2.65	-38.74
COC(=O)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=N1	REAL250004654979	1	35	-1.0	-41.39	299.38	2.62	-38.77
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C)=C1C#N	REAL250004654980	0	37	-1.0	-38.58	308.06	4.63	-33.95
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C)=C1C#N	REAL250004654980	1	37	-1.0	-38.56	308.12	4.65	-33.91
N#CC1=CN=NC(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654981	0	30	-1.0	-40.38	263.68	1.96	-38.42
N#CC1=CN=NC(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654981	1	30	-1.0	-40.33	263.63	1.93	-38.40
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=C([N+](=O)[O-])S1	REAL250004654982	0	33	-1.0	-44.64	287.81	4.55	-40.09
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=C([N+](=O)[O-])S1	REAL250004654982	1	33	-1.0	-44.66	287.86	4.57	-40.09
N#CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004654983	0	34	-1.0	-44.35	299.61	6.00	-38.35
N#CC1=CC=C([N+](=O)[O-])C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004654983	1	34	-1.0	-44.39	299.67	6.02	-38.37
N#CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL250004654984	0	31	-1.0	-39.52	269.14	2.91	-36.61
N#CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL250004654984	1	31	-1.0	-39.48	269.07	2.90	-36.58
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1[N+](=O)[O-]	REAL250004654985	0	34	-1.0	-40.47	289.13	4.23	-36.24
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1[N+](=O)[O-]	REAL250004654985	1	34	-1.0	-40.46	289.19	4.25	-36.21
N#CC1=CN=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654986	0	30	-1.0	-39.26	263.73	1.57	-37.69
N#CC1=CN=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654986	1	30	-1.0	-39.25	263.66	1.57	-37.68
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004654987	0	31	-1.0	-39.54	269.32	3.69	-35.85
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004654987	1	31	-1.0	-39.54	269.26	3.66	-35.88
N#CC1=CC=CC([N+](=O)[O-])=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654988	0	34	-1.0	-48.83	289.56	5.39	-43.44
N#CC1=CC=CC([N+](=O)[O-])=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654988	1	34	-1.0	-48.81	289.64	5.39	-43.42
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=C(C#N)C=N1	REAL250004654989	0	34	-1.0	-39.82	290.88	3.43	-36.39
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=C(C#N)C=N1	REAL250004654989	1	34	-1.0	-39.86	290.94	3.44	-36.42
NC(=O)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654990	0	33	-1.0	-40.66	280.77	-0.08	-40.74
NC(=O)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654990	1	33	-1.0	-40.65	280.71	-0.11	-40.76
NC(=O)C1=NC=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654991	0	33	-1.0	-46.09	279.15	-0.76	-46.85
NC(=O)C1=NC=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654991	1	33	-1.0	-46.09	279.09	-0.78	-46.87
FC1=NC2=CC=CC=C2N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654992	0	35	-1.0	-41.13	293.32	3.27	-37.86
FC1=NC2=CC=CC=C2N=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004654992	1	35	-1.0	-41.14	293.26	3.26	-37.88
N#CC1=CN=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654993	0	30	-1.0	-39.26	263.73	1.57	-37.69
N#CC1=CN=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654993	1	30	-1.0	-39.25	263.66	1.57	-37.68
CCC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004654994	0	35	-1.0	-38.52	285.96	4.48	-34.04
CCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004654994	1	35	-1.0	-38.55	286.02	4.51	-34.04
O=C1NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL250004654995	0	33	-1.0	-63.48	283.69	4.44	-59.04
O=C1NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL250004654995	1	33	-1.0	-63.49	283.74	4.46	-59.03
O=C1N=C(N2CCC(CC3=N[N-]N=N3)C2)C=C(Cl)N1	REAL250004654996	0	30	-1.0	-44.00	273.64	1.45	-42.55
O=C1N=C(N2CCC(CC3=NN=N[N-]3)C2)C=C(Cl)N1	REAL250004654996	1	30	-1.0	-44.03	273.70	1.47	-42.56
ClC1=CSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654997	0	27	-1.0	-45.58	255.65	2.65	-42.93
ClC1=CSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654997	1	27	-1.0	-45.60	255.59	2.62	-42.98
CCC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004654998	0	32	-1.0	-39.44	276.98	2.48	-36.96
CCC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654998	1	32	-1.0	-39.45	277.04	2.50	-36.95
C(C1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1)C1CC1	REAL250004654999	0	36	-1.0	-39.63	306.52	4.10	-35.53
C(C1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1)C1CC1	REAL250004654999	1	36	-1.0	-39.63	306.58	4.10	-35.53
COC(=O)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655000	0	35	-1.0	-39.38	299.53	3.71	-35.67
COC(=O)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655000	1	35	-1.0	-39.37	299.47	3.69	-35.68
CN1C=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C1=O	REAL250004655001	0	33	-1.0	-45.21	275.17	3.36	-41.85
CN1C=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C1=O	REAL250004655001	1	33	-1.0	-45.18	275.11	3.34	-41.84
FC(F)(F)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655002	0	32	-1.0	-37.02	283.47	4.12	-32.90
FC(F)(F)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655002	1	32	-1.0	-37.02	283.41	4.09	-32.93
COC(=O)C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004655003	0	35	-1.0	-39.26	299.15	2.02	-37.24
COC(=O)C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004655003	1	35	-1.0	-39.27	299.10	2.00	-37.27
C1=NC(C2CC2)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655004	0	36	-1.0	-38.62	293.44	5.12	-33.50
C1=NC(C2CC2)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655004	1	36	-1.0	-38.57	293.50	5.15	-33.42
CC(C)CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655005	0	41	-1.0	-37.99	322.84	6.36	-31.63
CC(C)CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655005	1	41	-1.0	-37.95	322.90	6.39	-31.56
CCCCC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655006	0	41	-1.0	-38.33	328.98	6.04	-32.29
CCCCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655006	1	41	-1.0	-38.35	329.03	6.07	-32.28
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004655007	0	32	-1.0	-38.50	277.01	3.95	-34.55
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004655007	1	32	-1.0	-38.51	276.95	3.92	-34.59
FC1=C2OC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=CC=C1	REAL250004655008	0	33	-1.0	-46.22	284.43	1.50	-44.72
FC1=C2OC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=CC=C1	REAL250004655008	1	33	-1.0	-46.24	284.38	1.47	-44.77
O=[N+]([O-])C1=NC=CC=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655009	0	32	-1.0	-48.78	270.74	4.91	-43.87
O=[N+]([O-])C1=NC=CC=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655009	1	32	-1.0	-48.78	270.68	4.91	-43.87
O=[N+]([O-])C1=C(N2CCC(CC3=N[N-]N=N3)C2)C=CS1	REAL250004655010	0	30	-1.0	-44.40	271.95	4.30	-40.10
O=[N+]([O-])C1=C(N2CCC(CC3=NN=N[N-]3)C2)C=CS1	REAL250004655010	1	30	-1.0	-44.40	272.01	4.33	-40.07
CC1=CC(C#N)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655011	0	34	-1.0	-39.30	291.11	4.25	-35.05
CC1=CC(C#N)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655011	1	34	-1.0	-39.32	291.17	4.28	-35.04
N#CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C2CC2)=N1	REAL250004655012	0	37	-1.0	-37.99	317.29	4.91	-33.08
N#CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CC2)=N1	REAL250004655012	1	37	-1.0	-37.98	317.35	4.94	-33.04
CCC1=CSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655013	0	33	-1.0	-39.30	280.48	2.94	-36.36
CCC1=CSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655013	1	33	-1.0	-39.28	280.54	2.97	-36.31
CCCOC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655014	0	39	-1.0	-42.61	319.90	3.37	-39.24
CCCOC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655014	1	39	-1.0	-42.65	319.85	3.34	-39.31
O=[N+]([O-])C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL250004655015	0	33	-1.0	-37.70	288.48	4.74	-32.96
O=[N+]([O-])C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL250004655015	1	33	-1.0	-37.71	288.54	4.76	-32.95
O=C1NN=C(Cl)C=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655016	0	30	-1.0	-39.33	269.14	0.88	-38.45
O=C1NN=C(Cl)C=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655016	1	30	-1.0	-39.31	269.20	0.89	-38.42
O=C1NN=C(Cl)C=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655017	0	30	-1.0	-39.33	269.14	0.88	-38.45
O=C1NN=C(Cl)C=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655017	1	30	-1.0	-39.31	269.20	0.89	-38.42
CC1=NN2C(=N1)N=C(C)C=C2N1CCC(CC2=N[N-]N=N2)C1	REAL250004655018	0	38	-1.0	-46.44	313.71	7.63	-38.81
CC1=NN2C(=N1)N=C(C)C=C2N1CCC(CC2=NN=N[N-]2)C1	REAL250004655018	1	38	-1.0	-46.47	313.77	7.65	-38.82
CC1=CN=C(C)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655019	0	35	-1.0	-39.26	285.35	2.83	-36.43
CC1=CN=C(C)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655019	1	35	-1.0	-39.24	285.41	2.84	-36.40
CCC1=CNC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C12	REAL250004655020	0	39	-1.0	-42.07	317.41	5.66	-36.41
CCC1=CNC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C12	REAL250004655020	1	39	-1.0	-42.06	317.47	5.69	-36.37
C1=NC(C2CC2)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655021	0	36	-1.0	-38.62	293.44	5.12	-33.50
C1=NC(C2CC2)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655021	1	36	-1.0	-38.57	293.50	5.15	-33.42
C1=CC=C2SC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004655023	0	33	-1.0	-42.89	283.55	4.09	-38.80
C1=CC=C2SC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004655023	1	33	-1.0	-42.86	283.48	4.09	-38.77
COC(=O)C1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655024	0	35	-1.0	-43.51	298.25	3.85	-39.66
COC(=O)C1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655024	1	35	-1.0	-43.51	298.19	3.84	-39.67
CC(C)(C)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655025	0	41	-1.0	-38.21	323.12	5.67	-32.54
CC(C)(C)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655025	1	41	-1.0	-38.26	323.18	5.69	-32.57
CCC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(CC)=N1	REAL250004655026	1	41	-1.0	-38.83	329.29	5.03	-33.80
CCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(CC)=N1	REAL250004655026	1	41	-1.0	-38.88	329.34	5.05	-33.83
COC(=O)C1=CN=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655027	0	35	-1.0	-39.36	299.25	2.01	-37.35
COC(=O)C1=CN=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655027	1	35	-1.0	-39.38	299.19	1.99	-37.39
CC1=NSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655028	0	29	-1.0	-39.45	255.50	1.87	-37.58
CC1=NSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655028	1	29	-1.0	-39.48	255.55	1.89	-37.59
FC(F)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655029	0	32	-1.0	-39.02	276.85	3.96	-35.06
FC(F)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655029	1	32	-1.0	-39.03	276.91	3.99	-35.04
COCC1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655030	0	36	-1.0	-40.94	298.96	1.99	-38.95
COCC1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655030	1	36	-1.0	-40.93	299.02	2.01	-38.92
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C2CCC2)=N1	REAL250004655031	0	42	-1.0	-39.21	333.95	5.74	-33.47
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CCC2)=N1	REAL250004655031	1	42	-1.0	-39.28	334.01	5.76	-33.52
CN1N=CC([N+](=O)[O-])=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655032	0	33	-1.0	-40.64	275.26	2.89	-37.75
CN1N=CC([N+](=O)[O-])=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655032	1	33	-1.0	-40.63	275.20	2.89	-37.74
O=[N+]([O-])C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL250004655033	0	32	-1.0	-37.08	276.71	3.17	-33.91
O=[N+]([O-])C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL250004655033	1	32	-1.0	-37.08	276.64	3.16	-33.92
ClC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004655034	0	29	-1.0	-37.18	260.37	1.84	-35.34
ClC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004655034	1	29	-1.0	-37.19	260.31	1.82	-35.37
N#CC1=CC=C(Cl)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655035	0	31	-1.0	-41.63	280.80	4.13	-37.50
N#CC1=CC=C(Cl)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655035	1	31	-1.0	-41.63	280.74	4.11	-37.52
CC1=CC(F)=C(C#N)C(N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004655036	0	35	-1.0	-44.03	295.55	4.72	-39.31
CC1=CC(F)=C(C#N)C(N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004655036	1	35	-1.0	-44.06	295.61	4.75	-39.31
NC1=NC(Cl)=C(N)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655037	0	33	-1.0	-37.79	288.95	0.98	-36.81
NC1=NC(Cl)=C(N)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655037	1	33	-1.0	-37.83	288.90	0.96	-36.87
CCOC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1C	REAL250004655038	0	39	-1.0	-43.21	318.74	3.28	-39.93
CCOC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1C	REAL250004655038	1	39	-1.0	-43.22	318.68	3.26	-39.96
NC1=NC(Cl)=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655039	0	30	-1.0	-42.22	270.92	3.91	-38.31
NC1=NC(Cl)=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655039	1	30	-1.0	-42.21	270.86	3.90	-38.31
FC1=CC=C2N=C(N3CCC(CC4=NN=N[N-]4)C3)OC2=C1	REAL250004655040	0	33	-1.0	-42.36	283.87	1.22	-41.14
FC1=CC=C2N=C(N3CCC(CC4=N[N-]N=N4)C3)OC2=C1	REAL250004655040	1	33	-1.0	-42.35	283.81	1.19	-41.16
CC(C)(C)C1=NC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655041	0	40	-1.0	-42.37	321.37	6.40	-35.97
CC(C)(C)C1=NC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655041	1	40	-1.0	-42.35	321.31	6.38	-35.97
C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(C2CCC2)=N1	REAL250004655042	0	39	-1.0	-39.01	312.22	4.83	-34.18
C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CCC2)=N1	REAL250004655042	1	39	-1.0	-38.98	312.28	4.84	-34.14
N#CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=CC=N1	REAL250004655043	0	31	-1.0	-38.65	268.62	2.39	-36.26
N#CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=CC=N1	REAL250004655043	1	31	-1.0	-38.61	268.56	2.36	-36.25
CC1=NN2C(=N1)N=CC=C2N1CCC(CC2=N[N-]N=N2)C1	REAL250004655044	0	35	-1.0	-46.73	292.04	7.01	-39.72
CC1=NN2C(=N1)N=CC=C2N1CCC(CC2=NN=N[N-]2)C1	REAL250004655044	1	35	-1.0	-46.78	292.10	7.03	-39.75
N#CC1=CC=NN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655045	0	30	-1.0	-44.10	263.95	2.50	-41.60
N#CC1=CC=NN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655045	1	30	-1.0	-44.08	263.89	2.49	-41.59
COC(=O)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655046	0	35	-1.0	-44.26	299.43	2.97	-41.29
COC(=O)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655046	1	35	-1.0	-44.28	299.37	2.96	-41.32
CC1=CC([N+](=O)[O-])=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655047	0	35	-1.0	-37.94	297.27	4.81	-33.13
CC1=CC([N+](=O)[O-])=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655047	1	35	-1.0	-37.97	297.20	4.81	-33.16
CNC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=NC=C1Cl	REAL250004655048	0	34	-1.0	-42.72	295.93	3.58	-39.14
CNC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=NC=C1Cl	REAL250004655048	1	34	-1.0	-42.70	295.99	3.61	-39.09
CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL250004655049	0	35	-1.0	-43.82	295.12	5.57	-38.25
CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL250004655049	1	35	-1.0	-43.83	295.06	5.55	-38.28
C1=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2N=C1	REAL250004655050	0	34	-1.0	-42.56	282.31	3.72	-38.84
C1=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2N=C1	REAL250004655050	1	34	-1.0	-42.57	282.26	3.69	-38.88
CN1C=C([N+](=O)[O-])C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655051	0	33	-1.0	-45.72	280.39	3.20	-42.52
CN1C=C([N+](=O)[O-])C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655051	1	33	-1.0	-45.67	280.33	3.18	-42.49
C1=NC(CC2CC2)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655052	0	39	-1.0	-38.21	316.56	5.93	-32.28
C1=NC(CC2CC2)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655052	1	39	-1.0	-38.24	316.62	5.94	-32.30
O=CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004655053	0	32	-1.0	-43.85	271.66	3.02	-40.83
O=CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004655053	1	32	-1.0	-43.87	271.60	2.99	-40.88
CC1=C2N=C(N3CCC(CC4=NN=N[N-]4)C3)OC2=CC=C1	REAL250004655054	0	36	-1.0	-45.93	299.45	2.07	-43.86
CC1=C2N=C(N3CCC(CC4=N[N-]N=N4)C3)OC2=CC=C1	REAL250004655054	1	36	-1.0	-45.91	299.39	2.06	-43.85
CC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL250004655055	0	35	-1.0	-38.21	295.84	4.49	-33.72
CC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL250004655055	1	35	-1.0	-38.22	295.90	4.52	-33.70
C1=NN=C2C(N3CCC(CC4=NN=N[N-]4)C3)=NC=CN12	REAL250004655056	0	32	-1.0	-45.52	272.25	5.76	-39.76
C1=NN=C2C(N3CCC(CC4=N[N-]N=N4)C3)=NC=CN12	REAL250004655056	1	32	-1.0	-45.55	272.19	5.75	-39.80
FC1=CN=CC(Cl)=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655057	0	30	-1.0	-37.38	266.89	2.83	-34.55
FC1=CN=CC(Cl)=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655057	1	30	-1.0	-37.36	266.83	2.80	-34.56
CN1C(=O)C=C(N2CCC(CC3=N[N-]N=N3)C2)NC1=O	REAL250004655058	0	34	-1.0	-40.56	282.80	2.41	-38.15
CN1C(=O)C=C(N2CCC(CC3=NN=N[N-]3)C2)NC1=O	REAL250004655058	1	34	-1.0	-40.60	282.86	2.43	-38.17
CCOC1=CC=NC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655059	0	36	-1.0	-42.89	298.41	2.58	-40.31
CCOC1=CC=NC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655059	1	36	-1.0	-42.87	298.35	2.55	-40.32
CC1=NC2=NNC=C2C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655060	0	35	-1.0	-45.07	289.94	2.79	-42.28
CC1=NC2=NNC=C2C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655060	1	35	-1.0	-45.07	289.99	2.82	-42.25
CC1=C2C(=NN1)N=CN=C2N1CCC(CC2=N[N-]N=N2)C1	REAL250004655061	0	35	-1.0	-42.89	291.00	3.50	-39.39
CC1=C2C(=NN1)N=CN=C2N1CCC(CC2=NN=N[N-]2)C1	REAL250004655061	1	35	-1.0	-42.90	291.07	3.50	-39.40
O=C1C=C(N2CCC(CC3=N[N-]N=N3)C2)C2=CC=CN=C2N1	REAL250004655062	0	36	-1.0	-40.94	301.21	3.56	-37.38
O=C1C=C(N2CCC(CC3=NN=N[N-]3)C2)C2=CC=CN=C2N1	REAL250004655062	1	36	-1.0	-40.95	301.27	3.58	-37.37
CC1=NC=NC(N2CCC(CC3=N[N-]N=N3)C2)=C1F	REAL250004655063	0	32	-1.0	-37.90	268.29	3.70	-34.20
CC1=NC=NC(N2CCC(CC3=NN=N[N-]3)C2)=C1F	REAL250004655063	1	32	-1.0	-37.96	268.35	3.72	-34.24
C1=NN2C(=N1)N=CC=C2N1CCC(CC2=NN=N[N-]2)C1	REAL250004655064	0	32	-1.0	-45.92	270.12	7.17	-38.75
C1=NN2C(=N1)N=CC=C2N1CCC(CC2=N[N-]N=N2)C1	REAL250004655064	1	32	-1.0	-45.91	270.06	7.15	-38.76
ClC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004655065	0	29	-1.0	-41.50	261.07	3.58	-37.92
ClC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004655065	1	29	-1.0	-41.54	261.01	3.55	-37.99
N#CC1=NC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1C#N	REAL250004655066	0	31	-1.0	-40.73	283.79	2.01	-38.72
N#CC1=NC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1C#N	REAL250004655066	1	31	-1.0	-40.77	283.73	1.99	-38.78
FC(F)(F)C1=CC=NN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655067	0	32	-1.0	-41.78	280.57	3.38	-38.40
FC(F)(F)C1=CC=NN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655067	1	32	-1.0	-41.74	280.52	3.36	-38.38
CSC1=NC(C)=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655068	0	36	-1.0	-40.58	308.16	4.19	-36.39
CSC1=NC(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655068	1	36	-1.0	-40.59	308.21	4.22	-36.37
OC1=CC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL250004655069	0	36	-1.0	-40.62	300.02	2.48	-38.14
OC1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL250004655069	1	36	-1.0	-40.59	300.08	2.48	-38.11
CN(C)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655070	1	37	-1.0	-40.21	300.01	5.60	-34.61
FC(F)C1=NN=C(N2CCC(CC3=N[N-]N=N3)C2)S1	REAL250004655071	0	29	-1.0	-46.11	267.90	2.09	-44.02
FC(F)C1=NN=C(N2CCC(CC3=NN=N[N-]3)C2)S1	REAL250004655071	1	29	-1.0	-46.11	267.96	2.10	-44.01
CCC(C)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655072	0	41	-1.0	-39.39	325.64	4.75	-34.64
CCC(C)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655072	1	41	-1.0	-39.41	325.70	4.78	-34.63
CC1=NC2=CC=CN=C2N=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655074	0	37	-1.0	-46.04	306.04	3.48	-42.56
CC1=NC2=CC=CN=C2N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655074	1	37	-1.0	-46.04	306.10	3.50	-42.54
FC(F)C1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004655075	0	33	-1.0	-39.80	282.88	4.20	-35.60
FC(F)C1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004655075	1	33	-1.0	-39.80	282.82	4.17	-35.63
FC1=CC(C(F)F)=CN=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655076	0	33	-1.0	-40.45	280.67	3.34	-37.11
FC1=CC(C(F)F)=CN=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655076	1	33	-1.0	-40.45	280.61	3.33	-37.12
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=N1	REAL250004655077	0	35	-1.0	-41.51	293.68	4.33	-37.18
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=N1	REAL250004655077	1	35	-1.0	-41.53	293.75	4.33	-37.20
CC1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC(CC2CC2)=N1	REAL250004655078	1	42	-1.0	-39.09	340.08	5.79	-33.30
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(CC2CC2)=N1	REAL250004655078	1	42	-1.0	-39.08	340.14	5.81	-33.27
N#CC1=CC=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL250004655079	0	31	-1.0	-39.54	269.32	3.69	-35.85
N#CC1=CC=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL250004655079	1	31	-1.0	-39.54	269.26	3.66	-35.88
O=[N+]([O-])C1=CC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655080	0	32	-1.0	-46.45	277.78	4.94	-41.51
O=[N+]([O-])C1=CC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655080	1	32	-1.0	-46.43	277.73	4.91	-41.52
C1=CN=C2SC(N3CCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL250004655081	0	32	-1.0	-45.36	278.32	2.18	-43.18
C1=CN=C2SC(N3CCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL250004655081	1	32	-1.0	-45.36	278.26	2.18	-43.18
C1=CN2N=CN=C(N3CCC(CC4=NN=N[N-]4)C3)C2=C1	REAL250004655082	0	33	-1.0	-40.40	274.39	5.73	-34.67
C1=CN2N=CN=C(N3CCC(CC4=N[N-]N=N4)C3)C2=C1	REAL250004655082	1	33	-1.0	-40.41	274.33	5.72	-34.69
C1=NC2=NC(N3CCC(CC4=N[N-]N=N4)C3)=NC=C2N1	REAL250004655083	0	32	-1.0	-54.83	270.53	3.43	-51.40
C1=NC2=NC(N3CCC(CC4=NN=N[N-]4)C3)=NC=C2N1	REAL250004655083	1	32	-1.0	-54.89	270.59	3.45	-51.44
COC(=O)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC=N1	REAL250004655084	0	35	-1.0	-39.38	299.53	3.71	-35.67
COC(=O)C1=CC(N2CCC(CC3=N[N-]N=N3)C2)=NC=N1	REAL250004655084	1	35	-1.0	-39.37	299.47	3.69	-35.68
CC1=CN=C(C)N=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655085	0	35	-1.0	-39.40	286.72	3.90	-35.50
CC1=CN=C(C)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655085	1	35	-1.0	-39.43	286.78	3.92	-35.51
CC1=CN=C(C#N)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655086	0	33	-1.0	-41.07	279.89	3.43	-37.64
CC1=CN=C(C#N)N=C1N1CCC(CC2=N[N-]N=N2)C1	REAL250004655086	1	33	-1.0	-41.04	279.83	3.41	-37.63
FC(F)(F)C1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655087	0	32	-1.0	-40.34	284.30	3.44	-36.90
FC(F)(F)C1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655087	1	32	-1.0	-40.36	284.24	3.41	-36.95
CN1N=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C21	REAL250004655088	0	35	-1.0	-39.03	290.00	3.24	-35.79
CN1N=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C21	REAL250004655088	1	35	-1.0	-39.01	289.94	3.21	-35.80
CC1=CC2=NC=NC(N3CCC(CC4=N[N-]N=N4)C3)=C2C=C1	REAL250004655089	0	38	-1.0	-39.93	311.28	6.05	-33.88
CC1=CC2=NC=NC(N3CCC(CC4=NN=N[N-]4)C3)=C2C=C1	REAL250004655089	1	38	-1.0	-39.96	311.34	6.08	-33.88
CCC1=CC(C#N)=C(N2CCC(CC3=N[N-]N=N3)C2)N=C1C	REAL250004655090	0	40	-1.0	-41.76	322.96	5.38	-36.38
CCC1=CC(C#N)=C(N2CCC(CC3=NN=N[N-]3)C2)N=C1C	REAL250004655090	1	40	-1.0	-41.82	323.02	5.41	-36.41
CC(C)C1=CC=C(C#N)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655091	0	40	-1.0	-42.24	324.64	5.35	-36.89
CC(C)C1=CC=C(C#N)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655091	1	40	-1.0	-42.23	324.70	5.37	-36.86
CCC1=NC(N2CCC(CC3=N[N-]N=N3)C2)=C(C#N)C=C1C	REAL250004655092	0	40	-1.0	-44.02	321.87	4.29	-39.73
CCC1=NC(N2CCC(CC3=NN=N[N-]3)C2)=C(C#N)C=C1C	REAL250004655092	1	40	-1.0	-44.02	321.93	4.31	-39.71
CC1=CSC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655093	0	30	-1.0	-39.47	258.99	2.20	-37.27
CC1=CSC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655093	1	30	-1.0	-39.52	259.04	2.23	-37.29
CSC1=NC=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655094	0	33	-1.0	-40.24	285.79	3.45	-36.79
CSC1=NC=CC(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655094	1	33	-1.0	-40.23	285.73	3.45	-36.78
FC(F)(F)C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004655095	0	32	-1.0	-37.25	283.24	2.42	-34.83
FC(F)(F)C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004655095	1	32	-1.0	-37.23	283.19	2.39	-34.84
C1=NC2=C(CCO2)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655096	0	34	-1.0	-40.07	274.45	1.36	-38.71
C1=NC2=C(CCO2)C(N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL250004655096	1	34	-1.0	-40.06	274.39	1.35	-38.71
FC(F)(F)C1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004655097	0	32	-1.0	-37.25	283.24	2.42	-34.83
FC(F)(F)C1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004655097	1	32	-1.0	-37.23	283.19	2.39	-34.84
N#CC1=CN=C(N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL250004655098	0	30	-1.0	-38.51	264.41	1.72	-36.79
N#CC1=CN=C(N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL250004655098	1	30	-1.0	-38.49	264.35	1.70	-36.79
CN1C=NC2=C(N3CCC(CC4=NN=N[N-]4)C3)N=CN=C21	REAL250004655099	0	35	-1.0	-45.26	291.37	5.42	-39.84
CN1C=NC2=C(N3CCC(CC4=N[N-]N=N4)C3)N=CN=C21	REAL250004655099	1	35	-1.0	-45.27	291.32	5.39	-39.88
O=C1C=C(N2CCC(CC3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL250004655100	0	36	-1.0	-43.06	302.71	6.90	-36.16
O=C1C=C(N2CCC(CC3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL250004655100	1	36	-1.0	-43.06	302.77	6.91	-36.15
BrC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655101	0	27	-1.0	-41.61	261.73	3.28	-38.33
BrC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655101	1	27	-1.0	-41.60	261.79	3.30	-38.30
CC(C)CN(CC(C)C)C(=O)COCC1=N[N-]N=N1	REAL250004655102	0	41	-1.0	-48.83	321.04	4.91	-43.92
CC(C)CN(CC(C)C)C(=O)COCC1=NN=N[N-]1	REAL250004655102	1	41	-1.0	-48.80	321.10	4.93	-43.87
CCOC1=CC=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655103	0	34	-1.0	-50.02	294.43	2.50	-47.52
CCOC1=CC=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655103	1	34	-1.0	-50.01	294.49	2.51	-47.50
COC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1Cl	REAL250004655104	0	31	-1.0	-49.12	290.11	1.99	-47.13
COC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1Cl	REAL250004655104	1	31	-1.0	-49.14	290.16	2.01	-47.13
N#CC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655105	0	28	-1.0	-56.11	265.44	2.54	-53.57
N#CC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655105	1	28	-1.0	-56.10	265.50	2.55	-53.55
O=C(COCC1=N[N-]N=N1)NC1=CC=C2OCOC2=C1	REAL250004655106	0	30	-1.0	-50.28	270.67	0.80	-49.48
O=C(COCC1=NN=N[N-]1)NC1=CC=C2OCOC2=C1	REAL250004655106	1	30	-1.0	-50.28	270.73	0.81	-49.47
COC(=O)C1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655107	0	33	-1.0	-51.47	299.57	2.82	-48.65
COC(=O)C1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655107	1	33	-1.0	-51.48	299.63	2.83	-48.65
O=C(COCC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004655108	0	31	-1.0	-49.06	265.11	4.25	-44.81
O=C(COCC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004655108	1	31	-1.0	-49.02	265.16	4.27	-44.75
CC1CC2=CC=CC=C2N1C(=O)COCC1=N[N-]N=N1	REAL250004655109	0	34	-1.0	-49.15	283.07	4.87	-44.28
CC1CC2=CC=CC=C2N1C(=O)COCC1=NN=N[N-]1	REAL250004655109	1	34	-1.0	-49.15	283.12	4.88	-44.27
CC1=CC(NC(=O)COCC2=N[N-]N=N2)=CC(C)=C1	REAL250004655110	0	33	-1.0	-51.02	287.66	3.49	-47.53
CC1=CC(NC(=O)COCC2=NN=N[N-]2)=CC(C)=C1	REAL250004655110	1	33	-1.0	-51.01	287.72	3.51	-47.50
O=C(COCC1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL250004655111	0	34	-1.0	-49.74	287.04	4.66	-45.08
O=C(COCC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL250004655111	1	34	-1.0	-49.72	287.09	4.68	-45.04
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655112	0	30	-1.0	-47.45	280.07	3.42	-44.03
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655112	1	30	-1.0	-47.47	280.13	3.44	-44.03
O=C(COCC1=N[N-]N=N1)N1CCCC2=CC=CC=C21	REAL250004655113	0	34	-1.0	-52.63	281.62	4.85	-47.78
O=C(COCC1=NN=N[N-]1)N1CCCC2=CC=CC=C21	REAL250004655113	1	34	-1.0	-52.59	281.68	4.87	-47.72
O=C(COCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1	REAL250004655114	0	27	-1.0	-52.43	261.31	2.66	-49.77
O=C(COCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1	REAL250004655114	1	27	-1.0	-52.43	261.37	2.68	-49.75
O=C(COCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1	REAL250004655115	0	33	-1.0	-51.47	290.69	4.43	-47.04
O=C(COCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL250004655115	1	33	-1.0	-51.49	290.75	4.44	-47.05
O=C(COCC1=N[N-]N=N1)NCC1CCCCC1	REAL250004655116	0	36	-1.0	-48.52	292.76	2.76	-45.76
O=C(COCC1=NN=N[N-]1)NCC1CCCCC1	REAL250004655116	1	36	-1.0	-48.53	292.82	2.77	-45.76
CCC(C)C1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655117	0	39	-1.0	-50.65	323.21	4.71	-45.94
CCC(C)C1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655117	1	39	-1.0	-50.68	323.27	4.73	-45.95
O=C(COCC1=N[N-]N=N1)NCC1=CC=C2OCOC2=C1	REAL250004655118	0	33	-1.0	-50.44	296.73	1.02	-49.42
O=C(COCC1=NN=N[N-]1)NCC1=CC=C2OCOC2=C1	REAL250004655118	1	33	-1.0	-50.45	296.79	1.03	-49.42
CCC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655119	0	33	-1.0	-50.78	287.47	3.59	-47.19
CCC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655119	1	33	-1.0	-50.76	287.52	3.60	-47.16
CC(C)C1=CC=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655120	0	36	-1.0	-50.02	300.67	4.25	-45.77
CC(C)C1=CC=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655120	1	36	-1.0	-50.04	300.72	4.27	-45.77
CC1=CC=C(C)C(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655121	0	33	-1.0	-51.03	283.80	3.66	-47.37
CC1=CC=C(C)C(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655121	1	33	-1.0	-51.01	283.86	3.67	-47.34
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C(C)=C1	REAL250004655122	0	33	-1.0	-50.96	283.77	3.66	-47.30
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C(C)=C1	REAL250004655122	1	33	-1.0	-50.96	283.83	3.67	-47.29
CC1CCCCC1NC(=O)COCC1=N[N-]N=N1	REAL250004655123	0	36	-1.0	-48.94	287.91	3.30	-45.64
CC1CCCCC1NC(=O)COCC1=NN=N[N-]1	REAL250004655123	1	36	-1.0	-48.92	287.97	3.31	-45.61
COC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655124	0	34	-1.0	-49.36	300.17	1.65	-47.71
COC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655124	1	34	-1.0	-49.35	300.22	1.67	-47.68
COC1=CC(NC(=O)COCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004655125	0	35	-1.0	-54.13	303.57	0.75	-53.38
COC1=CC(NC(=O)COCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004655125	1	35	-1.0	-54.11	303.63	0.77	-53.34
FC(F)OC1=CC=C(Cl)C=C1COCC1=N[N-]N=N1	REAL250004655126	0	27	-1.0	-41.83	263.67	3.21	-38.62
FC(F)OC1=CC=C(Cl)C=C1COCC1=NN=N[N-]1	REAL250004655126	1	27	-1.0	-41.81	263.73	3.22	-38.59
CN(C(=O)COCC1=N[N-]N=N1)C1CCCCC1	REAL250004655127	0	36	-1.0	-50.64	286.67	3.85	-46.79
CN(C(=O)COCC1=NN=N[N-]1)C1CCCCC1	REAL250004655127	1	36	-1.0	-50.60	286.71	3.86	-46.74
CCN(C(=O)COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655128	0	33	-1.0	-50.81	286.20	4.82	-45.99
CCN(C(=O)COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655128	1	33	-1.0	-50.80	286.25	4.84	-45.96
FC(F)(F)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655129	0	26	-1.0	-39.77	249.25	3.89	-35.88
FC(F)(F)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655129	1	26	-1.0	-39.75	249.31	3.90	-35.85
CC1=CC(C(C)(C)C)=CC(C)=C1COCC1=N[N-]N=N1	REAL250004655130	0	41	-1.0	-40.24	321.40	6.32	-33.92
CC1=CC(C(C)(C)C)=CC(C)=C1COCC1=NN=N[N-]1	REAL250004655130	1	41	-1.0	-40.27	321.46	6.33	-33.94
CC(C)N(C(=O)COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655131	0	36	-1.0	-50.33	303.93	5.28	-45.05
CC(C)N(C(=O)COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655131	1	36	-1.0	-50.32	303.98	5.30	-45.02
O=C(COCC1=N[N-]N=N1)NC1=CC=C(F)C(Cl)=C1	REAL250004655132	0	27	-1.0	-47.60	267.18	2.71	-44.89
O=C(COCC1=NN=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250004655132	1	27	-1.0	-47.62	267.23	2.73	-44.89
CC(=O)C1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655133	0	32	-1.0	-62.98	285.09	2.54	-60.44
CC(=O)C1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655133	1	32	-1.0	-63.00	285.15	2.55	-60.45
CC1CC(C)CN(C(=O)COCC2=N[N-]N=N2)C1	REAL250004655134	0	36	-1.0	-49.13	290.09	3.68	-45.45
CC1CC(C)CN(C(=O)COCC2=NN=N[N-]2)C1	REAL250004655134	1	36	-1.0	-49.17	290.15	3.70	-45.47
CN(CC1=CC=CC=C1)C(=O)COCC1=N[N-]N=N1	REAL250004655135	0	33	-1.0	-52.14	287.85	4.47	-47.67
CN(CC1=CC=CC=C1)C(=O)COCC1=NN=N[N-]1	REAL250004655135	1	33	-1.0	-52.18	287.91	4.48	-47.70
CC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1C	REAL250004655136	0	33	-1.0	-51.06	280.37	3.58	-47.48
CC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1C	REAL250004655136	1	33	-1.0	-51.10	280.43	3.59	-47.51
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1C	REAL250004655137	0	33	-1.0	-51.11	283.26	3.36	-47.75
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1C	REAL250004655137	1	33	-1.0	-51.16	283.32	3.38	-47.78
O=C(COCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=C1	REAL250004655138	0	30	-1.0	-47.77	287.39	2.87	-44.90
O=C(COCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1	REAL250004655138	1	30	-1.0	-47.79	287.45	2.89	-44.90
COC1=CC=CC=C1CNC(=O)COCC1=N[N-]N=N1	REAL250004655139	0	34	-1.0	-50.70	299.11	1.69	-49.01
COC1=CC=CC=C1CNC(=O)COCC1=NN=N[N-]1	REAL250004655139	1	34	-1.0	-50.68	299.17	1.71	-48.97
COC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655140	0	31	-1.0	-55.19	274.07	1.44	-53.75
COC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655140	1	31	-1.0	-55.19	274.13	1.46	-53.73
COC1=CC=C(C)C=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655141	0	34	-1.0	-50.78	294.81	2.23	-48.55
COC1=CC=C(C)C=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655141	1	34	-1.0	-50.77	294.87	2.24	-48.53
CC1=CC=CC(C)=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655142	0	33	-1.0	-49.73	281.22	3.73	-46.00
CC1=CC=CC(C)=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655142	1	33	-1.0	-49.71	281.28	3.75	-45.96
CC1=CC=C(Cl)C=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655143	0	30	-1.0	-52.13	279.12	3.50	-48.63
CC1=CC=C(Cl)C=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655143	1	30	-1.0	-52.15	279.18	3.51	-48.64
COC1=CC=C(OC)C(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655144	0	35	-1.0	-54.24	302.87	0.84	-53.40
COC1=CC=C(OC)C(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655144	1	35	-1.0	-54.24	302.93	0.85	-53.39
CC(C)(C)C1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655145	0	39	-1.0	-50.66	320.73	4.47	-46.19
CC(C)(C)C1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655145	1	39	-1.0	-50.68	320.79	4.48	-46.20
O=C(COCC1=N[N-]N=N1)NC1=CC=CC=C1Cl	REAL250004655146	0	27	-1.0	-47.86	259.55	2.78	-45.08
O=C(COCC1=NN=N[N-]1)NC1=CC=CC=C1Cl	REAL250004655146	1	27	-1.0	-47.85	259.61	2.79	-45.06
O=C(COCC1=N[N-]N=N1)NC1=CC=C2OCCOC2=C1	REAL250004655147	0	33	-1.0	-55.84	289.11	1.30	-54.54
O=C(COCC1=NN=N[N-]1)NC1=CC=C2OCCOC2=C1	REAL250004655147	1	33	-1.0	-55.85	289.17	1.31	-54.54
O=C(COCC1=N[N-]N=N1)NC1=CC=CC(F)=C1	REAL250004655148	0	27	-1.0	-53.90	250.99	2.21	-51.69
O=C(COCC1=NN=N[N-]1)NC1=CC=CC(F)=C1	REAL250004655148	1	27	-1.0	-53.92	251.05	2.23	-51.69
CC(=O)NC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655149	0	34	-1.0	-54.73	300.99	1.06	-53.67
CC(=O)NC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655149	1	34	-1.0	-54.74	301.05	1.07	-53.67
CC1=CC(Cl)=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655150	0	30	-1.0	-49.37	279.10	3.50	-45.87
CC1=CC(Cl)=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655150	1	30	-1.0	-49.36	279.16	3.51	-45.85
O=C(COCC1=N[N-]N=N1)NC1=CC(F)=CC=C1F	REAL250004655151	0	27	-1.0	-49.67	256.92	2.32	-47.35
O=C(COCC1=NN=N[N-]1)NC1=CC(F)=CC=C1F	REAL250004655151	1	27	-1.0	-49.67	256.98	2.33	-47.34
O=C(COCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1	REAL250004655152	0	30	-1.0	-48.38	287.39	2.86	-45.52
O=C(COCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1	REAL250004655152	1	30	-1.0	-48.36	287.45	2.88	-45.48
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1F	REAL250004655153	0	30	-1.0	-54.20	271.29	2.85	-51.35
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1F	REAL250004655153	1	30	-1.0	-54.22	271.34	2.87	-51.35
CC(C)(C)C1=CC=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655154	0	39	-1.0	-49.11	309.22	4.94	-44.17
CC(C)(C)C1=CC=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655154	1	39	-1.0	-49.13	309.28	4.96	-44.17
O=C(COCC1=N[N-]N=N1)NCCC1=CC=C(Cl)C=C1	REAL250004655155	0	33	-1.0	-50.88	308.89	3.64	-47.24
O=C(COCC1=NN=N[N-]1)NCCC1=CC=C(Cl)C=C1	REAL250004655155	1	33	-1.0	-50.90	308.95	3.66	-47.24
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1Cl	REAL250004655156	0	30	-1.0	-52.65	280.02	3.25	-49.40
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1Cl	REAL250004655156	1	30	-1.0	-52.65	280.08	3.26	-49.39
O=C(COCC1=N[N-]N=N1)NC1=CC=C(F)C(F)=C1	REAL250004655157	0	27	-1.0	-47.94	257.29	2.27	-45.67
O=C(COCC1=NN=N[N-]1)NC1=CC=C(F)C(F)=C1	REAL250004655157	1	27	-1.0	-47.93	257.35	2.28	-45.65
O=C(COCC1=N[N-]N=N1)NC1=CC=C(F)C=C1F	REAL250004655158	0	27	-1.0	-45.93	256.93	2.32	-43.61
O=C(COCC1=NN=N[N-]1)NC1=CC=C(F)C=C1F	REAL250004655158	1	27	-1.0	-45.95	256.99	2.33	-43.62
COC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655159	0	31	-1.0	-52.30	274.09	1.44	-50.86
COC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655159	1	31	-1.0	-52.31	274.15	1.45	-50.86
O=C(COCC1=N[N-]N=N1)NC1=CC=C(F)C=C1Cl	REAL250004655160	0	27	-1.0	-45.76	265.99	2.85	-42.91
O=C(COCC1=NN=N[N-]1)NC1=CC=C(F)C=C1Cl	REAL250004655160	1	27	-1.0	-45.78	266.04	2.86	-42.92
O=C(COCC1=N[N-]N=N1)NCCC1=CCCCC1	REAL250004655161	0	37	-1.0	-49.40	307.99	3.34	-46.06
O=C(COCC1=NN=N[N-]1)NCCC1=CCCCC1	REAL250004655161	1	37	-1.0	-49.39	308.05	3.36	-46.03
O=C(COCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=C1	REAL250004655162	0	31	-1.0	-51.91	283.84	1.72	-50.19
O=C(COCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=C1	REAL250004655162	1	31	-1.0	-51.88	283.90	1.73	-50.15
O=C(COCC1=N[N-]N=N1)NC1=CC=CC=C1OC(F)F	REAL250004655163	0	31	-1.0	-50.76	282.35	1.83	-48.93
O=C(COCC1=NN=N[N-]1)NC1=CC=CC=C1OC(F)F	REAL250004655163	1	31	-1.0	-50.81	282.41	1.85	-48.96
CC1=CC=CC(C(C)C)=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655164	0	39	-1.0	-49.40	319.18	4.99	-44.41
CC1=CC=CC(C(C)C)=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655164	1	39	-1.0	-49.39	319.24	5.00	-44.39
O=C(COCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1	REAL250004655165	0	27	-1.0	-49.51	261.31	2.66	-46.85
O=C(COCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1	REAL250004655165	1	27	-1.0	-49.51	261.37	2.68	-46.83
CC1=CC(C)=C(NC(=O)COCC2=N[N-]N=N2)C(C)=C1	REAL250004655166	0	36	-1.0	-49.83	302.65	4.39	-45.44
CC1=CC(C)=C(NC(=O)COCC2=NN=N[N-]2)C(C)=C1	REAL250004655166	1	36	-1.0	-49.89	302.71	4.40	-45.49
COC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1OC	REAL250004655167	0	35	-1.0	-52.22	303.32	1.35	-50.87
COC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1OC	REAL250004655167	1	35	-1.0	-52.26	303.38	1.37	-50.89
O=C(COCC1=N[N-]N=N1)NCCC1=CC=CC=C1	REAL250004655168	0	33	-1.0	-50.75	292.16	3.12	-47.63
O=C(COCC1=NN=N[N-]1)NCCC1=CC=CC=C1	REAL250004655168	1	33	-1.0	-50.75	292.22	3.14	-47.61
CC(NC(=O)COCC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004655169	0	40	-1.0	-49.46	314.00	3.73	-45.73
CC(NC(=O)COCC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004655169	1	40	-1.0	-49.50	314.06	3.74	-45.76
O=C(COCC1=N[N-]N=N1)NCCCC1=CC=CC=C1	REAL250004655170	0	36	-1.0	-49.64	313.66	3.90	-45.74
O=C(COCC1=NN=N[N-]1)NCCCC1=CC=CC=C1	REAL250004655170	1	36	-1.0	-49.63	313.71	3.92	-45.71
COC(=O)C1=CC=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655171	0	33	-1.0	-49.40	293.81	3.09	-46.31
COC(=O)C1=CC=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655171	1	33	-1.0	-49.40	293.86	3.11	-46.29
CCOC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655172	0	34	-1.0	-52.13	295.94	2.36	-49.77
CCOC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655172	1	34	-1.0	-52.12	296.00	2.39	-49.73
N#CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655173	0	28	-1.0	-51.37	265.68	2.55	-48.82
N#CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655173	1	28	-1.0	-51.37	265.74	2.57	-48.80
CC1CCCC(C)N1C(=O)COCC1=N[N-]N=N1	REAL250004655174	0	36	-1.0	-48.33	278.94	3.54	-44.79
CC1CCCC(C)N1C(=O)COCC1=NN=N[N-]1	REAL250004655174	1	36	-1.0	-48.33	279.00	3.55	-44.78
CSC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655175	0	31	-1.0	-55.01	284.78	3.17	-51.84
CSC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655175	1	31	-1.0	-55.03	284.84	3.18	-51.85
CCC1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655176	0	33	-1.0	-50.41	287.76	3.59	-46.82
CCC1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655176	1	33	-1.0	-50.36	287.81	3.61	-46.75
O=C(COCC1=N[N-]N=N1)NCCC1=CC=C(F)C=C1	REAL250004655177	0	33	-1.0	-51.55	298.57	3.19	-48.36
O=C(COCC1=NN=N[N-]1)NCCC1=CC=C(F)C=C1	REAL250004655177	1	33	-1.0	-51.57	298.63	3.21	-48.36
O=C(COCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1	REAL250004655178	0	30	-1.0	-48.18	277.07	2.42	-45.76
O=C(COCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1	REAL250004655178	1	30	-1.0	-48.21	277.13	2.44	-45.77
O=C(COCC1=N[N-]N=N1)NC1CCCCCC1	REAL250004655179	0	36	-1.0	-49.54	284.74	2.41	-47.13
O=C(COCC1=NN=N[N-]1)NC1CCCCCC1	REAL250004655179	1	36	-1.0	-49.53	284.79	2.43	-47.10
COC1=CC=C(Cl)C=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655180	0	31	-1.0	-51.18	290.13	2.07	-49.11
COC1=CC=C(Cl)C=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655180	1	31	-1.0	-51.24	290.19	2.09	-49.15
O=C(COCC1=N[N-]N=N1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004655181	0	29	-1.0	-61.03	272.79	2.82	-58.21
O=C(COCC1=NN=N[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250004655181	1	29	-1.0	-61.00	272.84	2.83	-58.17
CCN(C(=O)COCC1=N[N-]N=N1)C1CCCCC1	REAL250004655182	0	39	-1.0	-49.98	304.19	4.70	-45.28
CCN(C(=O)COCC1=NN=N[N-]1)C1CCCCC1	REAL250004655182	1	39	-1.0	-49.98	304.24	4.72	-45.26
BrC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655183	0	23	-1.0	-38.28	231.81	3.52	-34.76
BrC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655183	1	23	-1.0	-38.28	231.87	3.53	-34.75
ClC1=CC=C(COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655184	0	23	-1.0	-36.31	240.41	4.06	-32.25
ClC1=CC=C(COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655184	1	23	-1.0	-36.29	240.47	4.08	-32.21
ClC1=CC=C(COCC2=N[N-]N=N2)C=C1Cl	REAL250004655185	0	23	-1.0	-38.37	242.44	3.86	-34.51
ClC1=CC=C(COCC2=NN=N[N-]2)C=C1Cl	REAL250004655185	1	23	-1.0	-38.37	242.50	3.88	-34.49
ClC1=CC=CC(Cl)=C1COCC1=N[N-]N=N1	REAL250004655186	0	23	-1.0	-40.93	238.62	3.76	-37.17
ClC1=CC=CC(Cl)=C1COCC1=NN=N[N-]1	REAL250004655186	1	23	-1.0	-40.91	238.67	3.78	-37.13
ClC1=CC=CC(Cl)=C1COCC1=N[N-]N=N1	REAL250004655187	0	23	-1.0	-40.93	238.62	3.76	-37.17
ClC1=CC=CC(Cl)=C1COCC1=NN=N[N-]1	REAL250004655187	1	23	-1.0	-40.91	238.67	3.78	-37.13
C1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655188	0	28	-1.0	-46.08	262.06	-1.13	-47.21
C1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655188	1	28	-1.0	-46.07	262.12	-1.11	-47.18
O=C(COCC1=N[N-]N=N1)NC1=CC=C2CCCC2=C1	REAL250004655189	0	34	-1.0	-51.12	290.11	4.05	-47.07
O=C(COCC1=NN=N[N-]1)NC1=CC=C2CCCC2=C1	REAL250004655189	1	34	-1.0	-51.13	290.16	4.07	-47.06
CCOC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655190	0	34	-1.0	-43.93	291.79	2.87	-41.06
CCOC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655190	1	34	-1.0	-43.92	291.85	2.88	-41.04
CC1=CC2=NC(COCC3=N[N-]N=N3)=CC(=O)N2C=C1	REAL250004655191	0	31	-1.0	-49.61	276.68	3.35	-46.26
CC1=CC2=NC(COCC3=NN=N[N-]3)=CC(=O)N2C=C1	REAL250004655191	1	31	-1.0	-49.61	276.74	3.36	-46.25
COC(=O)C1=C(C)OC(COCC2=N[N-]N=N2)=C1	REAL250004655192	0	29	-1.0	-42.60	266.50	2.46	-40.14
COC(=O)C1=C(C)OC(COCC2=NN=N[N-]2)=C1	REAL250004655192	1	29	-1.0	-42.61	266.56	2.48	-40.13
FC1=CC(Br)=CC=C1COCC1=N[N-]N=N1	REAL250004655193	0	23	-1.0	-36.27	235.53	3.75	-32.52
FC1=CC(Br)=CC=C1COCC1=NN=N[N-]1	REAL250004655193	1	23	-1.0	-36.25	235.59	3.77	-32.48
C=CCN1C(C)=CC(C(=O)COCC2=N[N-]N=N2)=C1C	REAL250004655194	0	36	-1.0	-49.94	311.04	5.90	-44.04
C=CCN1C(C)=CC(C(=O)COCC2=NN=N[N-]2)=C1C	REAL250004655194	1	36	-1.0	-49.93	311.10	5.91	-44.02
C1=C(C2=CC=CC=C2)OC(COCC2=N[N-]N=N2)=N1	REAL250004655195	0	29	-1.0	-45.22	265.71	1.38	-43.84
C1=C(C2=CC=CC=C2)OC(COCC2=NN=N[N-]2)=N1	REAL250004655195	1	29	-1.0	-45.22	265.77	1.39	-43.83
CN(C)S(=O)(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655196	0	34	-1.0	-47.49	306.02	0.89	-46.60
CN(C)S(=O)(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655196	1	34	-1.0	-47.49	306.07	0.90	-46.59
COC(=O)C1=C(C)NC(C(=O)COCC2=N[N-]N=N2)=C1C	REAL250004655197	0	35	-1.0	-52.47	313.31	3.51	-48.96
COC(=O)C1=C(C)NC(C(=O)COCC2=NN=N[N-]2)=C1C	REAL250004655197	1	35	-1.0	-52.47	313.37	3.53	-48.94
CC1=CC(OCCOCC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004655198	0	39	-1.0	-43.80	318.07	5.12	-38.68
CC1=CC(OCCOCC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004655198	1	39	-1.0	-43.80	318.13	5.13	-38.67
O=C(COCC1=N[N-]N=N1)NC1CCS(=O)(=O)C1	REAL250004655199	0	30	-1.0	-56.56	274.79	-2.57	-59.13
O=C(COCC1=NN=N[N-]1)NC1CCS(=O)(=O)C1	REAL250004655199	1	30	-1.0	-56.55	274.85	-2.55	-59.10
ClC1=CN2C=C(COCC3=N[N-]N=N3)N=C2C=C1	REAL250004655200	0	26	-1.0	-41.16	253.13	3.97	-37.19
ClC1=CN2C=C(COCC3=NN=N[N-]3)N=C2C=C1	REAL250004655200	1	26	-1.0	-41.18	253.19	3.98	-37.20
CC1=CC=CC=C1C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655201	0	31	-1.0	-44.43	276.76	2.43	-42.00
CC1=CC=CC=C1C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655201	1	31	-1.0	-44.45	276.82	2.44	-42.01
C1=CSC(C2=NC(COCC3=NN=N[N-]3)=CO2)=C1	REAL250004655202	0	26	-1.0	-40.57	257.20	0.37	-40.20
C1=CSC(C2=NC(COCC3=N[N-]N=N3)=CO2)=C1	REAL250004655202	1	26	-1.0	-40.61	257.14	0.36	-40.25
CC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655203	0	33	-1.0	-48.48	292.07	3.03	-45.45
CC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655203	1	33	-1.0	-48.47	292.12	3.05	-45.42
O=C(COCC1=N[N-]N=N1)NCC1=CC=CS1	REAL250004655204	0	27	-1.0	-48.11	260.89	1.45	-46.66
O=C(COCC1=NN=N[N-]1)NCC1=CC=CS1	REAL250004655204	1	27	-1.0	-48.09	260.95	1.46	-46.63
CCC1=CC=CC(C)=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655205	0	36	-1.0	-49.20	301.18	4.49	-44.71
CCC1=CC=CC(C)=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655205	1	36	-1.0	-49.20	301.23	4.50	-44.70
ClC1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655206	0	28	-1.0	-43.37	278.78	-0.61	-43.98
ClC1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655206	1	28	-1.0	-43.36	278.84	-0.59	-43.95
ClC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655207	0	27	-1.0	-41.70	257.17	3.18	-38.52
ClC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655207	1	27	-1.0	-41.69	257.23	3.19	-38.50
CC(=O)C1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655208	0	32	-1.0	-54.44	281.07	4.39	-50.05
CC(=O)C1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655208	1	32	-1.0	-54.40	281.12	4.41	-49.99
C(CC12CC3CC(CC(C3)C1)C2)OCC1=N[N-]N=N1	REAL250004655209	0	40	-1.0	-37.97	289.09	5.37	-32.60
C(CC12CC3CC(CC(C3)C1)C2)OCC1=NN=N[N-]1	REAL250004655209	1	40	-1.0	-37.95	289.15	5.39	-32.56
C1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655210	0	28	-1.0	-44.48	261.48	1.56	-42.92
C1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655210	1	28	-1.0	-44.48	261.42	1.54	-42.94
CCC1=CC=C(C(C)NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655211	0	39	-1.0	-49.04	331.04	4.63	-44.41
CCC1=CC=C(C(C)NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655211	1	39	-1.0	-49.05	331.10	4.65	-44.40
BrC1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655212	0	27	-1.0	-43.45	261.74	3.28	-40.17
BrC1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655212	1	27	-1.0	-43.45	261.79	3.30	-40.15
ClC1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655213	0	27	-1.0	-43.56	257.17	3.18	-40.38
ClC1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655213	1	27	-1.0	-43.56	257.23	3.19	-40.37
ClC1=CC=C(OCCOCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655214	0	27	-1.0	-43.39	273.20	3.73	-39.66
ClC1=CC=C(OCCOCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655214	1	27	-1.0	-43.43	273.26	3.74	-39.69
COC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655215	0	31	-1.0	-44.09	269.94	1.94	-42.15
COC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655215	1	31	-1.0	-44.08	269.99	1.96	-42.12
C1=C(COCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004655216	0	29	-1.0	-40.73	266.19	1.44	-39.29
C1=C(COCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004655216	1	29	-1.0	-40.70	266.13	1.43	-39.27
CC1=CC=CC(OCCNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655217	0	37	-1.0	-50.35	321.97	2.64	-47.71
CC1=CC=CC(OCCNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655217	1	37	-1.0	-50.39	322.03	2.66	-47.73
FC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655218	0	30	-1.0	-40.41	268.40	3.33	-37.08
FC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655218	1	30	-1.0	-40.43	268.45	3.34	-37.09
COC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655219	0	34	-1.0	-41.81	291.48	2.54	-39.27
COC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655219	1	34	-1.0	-41.83	291.54	2.56	-39.27
C1=C(COCC2=NN=N[N-]2)ON=C1C1=CC=CC=C1	REAL250004655220	0	29	-1.0	-43.82	265.55	4.04	-39.78
C1=C(COCC2=N[N-]N=N2)ON=C1C1=CC=CC=C1	REAL250004655220	1	29	-1.0	-43.83	265.49	4.03	-39.80
ClC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655221	0	30	-1.0	-39.98	278.72	3.78	-36.20
ClC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655221	1	30	-1.0	-40.01	278.77	3.79	-36.22
CC1=CC=C(C)C(OCCCOCC2=N[N-]N=N2)=C1	REAL250004655222	0	36	-1.0	-41.21	303.47	4.68	-36.53
CC1=CC=C(C)C(OCCCOCC2=NN=N[N-]2)=C1	REAL250004655222	1	36	-1.0	-41.21	303.52	4.70	-36.51
CC1=CC(C)=CC(OCCCOCC2=N[N-]N=N2)=C1	REAL250004655223	0	36	-1.0	-41.45	304.80	4.59	-36.86
CC1=CC(C)=CC(OCCCOCC2=NN=N[N-]2)=C1	REAL250004655223	1	36	-1.0	-41.44	304.86	4.61	-36.83
CC(C)(C)C1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655224	0	42	-1.0	-40.66	338.15	5.58	-35.08
CC(C)(C)C1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655224	1	42	-1.0	-40.70	338.21	5.60	-35.10
ClC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=C2)C=C1	REAL250004655225	0	29	-1.0	-41.85	282.27	4.56	-37.29
ClC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=C2)C=C1	REAL250004655225	1	29	-1.0	-41.81	282.21	4.55	-37.26
COC(=O)C1CCN(C(=O)COCC2=N[N-]N=N2)CC1	REAL250004655226	0	36	-1.0	-54.40	303.06	3.14	-51.26
COC(=O)C1CCN(C(=O)COCC2=NN=N[N-]2)CC1	REAL250004655226	1	36	-1.0	-54.42	303.11	3.16	-51.26
ClC1=CC=C(C2=CN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655227	0	29	-1.0	-43.39	282.43	1.90	-41.49
ClC1=CC=C(C2=CN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655227	1	29	-1.0	-43.40	282.49	1.91	-41.49
ClC1=CC=CC(C2=CN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655228	0	29	-1.0	-43.31	282.44	1.89	-41.42
ClC1=CC=CC(C2=CN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655228	1	29	-1.0	-43.31	282.50	1.90	-41.41
COC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655229	0	32	-1.0	-44.07	290.92	0.87	-43.20
COC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655229	1	32	-1.0	-44.09	290.86	0.86	-43.23
ClC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655230	0	28	-1.0	-41.74	278.20	2.08	-39.66
ClC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655230	1	28	-1.0	-41.74	278.14	2.06	-39.68
FC1=CC=C(C2=CN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655231	0	29	-1.0	-43.73	272.12	1.45	-42.28
FC1=CC=C(C2=CN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655231	1	29	-1.0	-43.76	272.17	1.46	-42.30
C1=C(C2=CC=CC=C2)ON=C1COCC1=NN=N[N-]1	REAL250004655232	0	29	-1.0	-40.08	264.78	4.05	-36.03
C1=C(C2=CC=CC=C2)ON=C1COCC1=N[N-]N=N1	REAL250004655232	1	29	-1.0	-40.10	264.73	4.04	-36.06
C1=CC(C2=NOC(COCC3=NN=N[N-]3)=N2)=CS1	REAL250004655233	0	25	-1.0	-43.91	251.68	0.45	-43.46
C1=CC(C2=NOC(COCC3=N[N-]N=N3)=N2)=CS1	REAL250004655233	1	25	-1.0	-43.88	251.63	0.43	-43.45
ClC1=CC(COCC2=N[N-]N=N2)=CC2=C1OCO2	REAL250004655234	0	26	-1.0	-41.33	253.32	2.07	-39.26
ClC1=CC(COCC2=NN=N[N-]2)=CC2=C1OCO2	REAL250004655234	1	26	-1.0	-41.35	253.38	2.08	-39.27
FC(F)(F)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655235	0	26	-1.0	-38.53	249.26	3.90	-34.63
FC(F)(F)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655235	1	26	-1.0	-38.52	249.32	3.91	-34.61
ClC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=CO2)C=C1	REAL250004655236	0	29	-1.0	-38.41	282.91	1.96	-36.45
ClC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=CO2)C=C1	REAL250004655236	1	29	-1.0	-38.36	282.86	1.95	-36.41
FC(F)(F)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655237	0	26	-1.0	-38.53	249.26	3.90	-34.63
FC(F)(F)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655237	1	26	-1.0	-38.52	249.32	3.91	-34.61
ClC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655238	0	27	-1.0	-45.51	256.47	3.22	-42.29
ClC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655238	1	27	-1.0	-45.52	256.53	3.23	-42.29
CCOC1=CC=C(C(C)=O)C=C1COCC1=N[N-]N=N1	REAL250004655239	0	35	-1.0	-54.36	301.57	3.85	-50.51
CCOC1=CC=C(C(C)=O)C=C1COCC1=NN=N[N-]1	REAL250004655239	1	35	-1.0	-54.37	301.63	3.86	-50.51
CCCN1C(C)=CC(C(=O)COCC2=N[N-]N=N2)=C1C	REAL250004655240	0	38	-1.0	-49.56	319.73	6.10	-43.46
CCCN1C(C)=CC(C(=O)COCC2=NN=N[N-]2)=C1C	REAL250004655240	1	38	-1.0	-49.55	319.79	6.11	-43.44
CCOC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655241	0	34	-1.0	-43.93	291.79	2.87	-41.06
CCOC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655241	1	34	-1.0	-43.92	291.85	2.88	-41.04
CN(C)C1=NC(N)=NC(COCC2=N[N-]N=N2)=N1	REAL250004655242	0	30	-1.0	-45.43	266.75	3.47	-41.96
CN(C)C1=NC(N)=NC(COCC2=NN=N[N-]2)=N1	REAL250004655242	1	30	-1.0	-45.43	266.81	3.49	-41.94
ClC1=C(COCC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004655243	0	26	-1.0	-41.75	262.76	4.85	-36.90
ClC1=C(COCC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004655243	1	26	-1.0	-41.77	262.81	4.86	-36.91
O=C(COCC1=N[N-]N=N1)NC1CCCCCCC1	REAL250004655244	0	39	-1.0	-49.88	295.29	2.84	-47.04
O=C(COCC1=NN=N[N-]1)NC1CCCCCCC1	REAL250004655244	1	39	-1.0	-49.92	295.34	2.85	-47.07
COC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C(OC)=C1	REAL250004655245	0	35	-1.0	-49.96	302.07	0.85	-49.11
COC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C(OC)=C1	REAL250004655245	1	35	-1.0	-49.95	302.12	0.87	-49.08
O=[N+]([O-])C1=CC2=C(OCOC2)C(COCC2=N[N-]N=N2)=C1	REAL250004655246	0	31	-1.0	-48.43	280.40	2.87	-45.56
O=[N+]([O-])C1=CC2=C(OCOC2)C(COCC2=NN=N[N-]2)=C1	REAL250004655246	1	31	-1.0	-48.42	280.46	2.89	-45.53
C1=CSC(C2=NC(COCC3=NN=N[N-]3)=NO2)=C1	REAL250004655247	0	25	-1.0	-44.62	252.04	0.49	-44.13
C1=CSC(C2=NC(COCC3=N[N-]N=N3)=NO2)=C1	REAL250004655247	1	25	-1.0	-44.68	251.98	0.48	-44.20
FC1=CC=C(C2=CN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655248	0	29	-1.0	-43.73	272.12	1.45	-42.28
FC1=CC=C(C2=CN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655248	1	29	-1.0	-43.76	272.17	1.46	-42.30
ClC1=CC2=CC=CN=C2C(COCC2=NN=N[N-]2)=C1	REAL250004655249	0	28	-1.0	-44.69	265.59	4.08	-40.61
ClC1=CC2=CC=CN=C2C(COCC2=N[N-]N=N2)=C1	REAL250004655249	1	28	-1.0	-44.68	265.53	4.06	-40.62
CC(C)C1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655250	0	36	-1.0	-51.62	305.05	4.07	-47.55
CC(C)C1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655250	1	36	-1.0	-51.61	305.10	4.08	-47.53
CC(C)C(NC(=O)COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655251	0	39	-1.0	-48.54	314.86	4.40	-44.14
CC(C)C(NC(=O)COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655251	1	39	-1.0	-48.57	314.92	4.42	-44.15
CSC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655252	0	31	-1.0	-51.97	284.79	3.17	-48.80
CSC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655252	1	31	-1.0	-52.00	284.84	3.18	-48.82
CC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)C=C1F	REAL250004655253	0	33	-1.0	-48.95	297.38	3.06	-45.89
CC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)C=C1F	REAL250004655253	1	33	-1.0	-49.00	297.44	3.08	-45.92
CC1CCC2=CC=CC=C2N1C(=O)COCC1=N[N-]N=N1	REAL250004655254	0	37	-1.0	-53.45	291.46	5.13	-48.32
CC1CCC2=CC=CC=C2N1C(=O)COCC1=NN=N[N-]1	REAL250004655254	1	37	-1.0	-53.47	291.51	5.14	-48.33
CC(C1=CC=C(F)C=C1)N(C)C(=O)COCC1=N[N-]N=N1	REAL250004655255	0	36	-1.0	-50.84	305.00	4.96	-45.88
CC(C1=CC=C(F)C=C1)N(C)C(=O)COCC1=NN=N[N-]1	REAL250004655255	1	36	-1.0	-50.84	305.06	4.98	-45.86
ClC1=CC=CC(C2=NC(COCC3=NN=N[N-]3)=CO2)=C1	REAL250004655256	0	29	-1.0	-39.72	282.92	1.95	-37.77
ClC1=CC=CC(C2=NC(COCC3=N[N-]N=N3)=CO2)=C1	REAL250004655256	1	29	-1.0	-39.72	282.86	1.94	-37.78
O=C(COCC1=N[N-]N=N1)NCC1=CC=CC=C1F	REAL250004655257	0	30	-1.0	-50.30	276.33	2.37	-47.93
O=C(COCC1=NN=N[N-]1)NCC1=CC=CC=C1F	REAL250004655257	1	30	-1.0	-50.28	276.39	2.39	-47.89
CC1=CC(C)=C(NC(=O)COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655258	0	33	-1.0	-50.42	305.83	4.50	-45.92
CC1=CC(C)=C(NC(=O)COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655258	1	33	-1.0	-50.39	305.88	4.52	-45.87
COC1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655259	0	32	-1.0	-45.59	291.50	-1.83	-47.42
COC1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655259	1	32	-1.0	-45.60	291.55	-1.81	-47.41
CC(NC(=O)COCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004655260	0	33	-1.0	-48.59	304.88	3.71	-44.88
CC(NC(=O)COCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004655260	1	33	-1.0	-48.63	304.94	3.73	-44.90
CC1=CC=CC=C1CNC(=O)COCC1=N[N-]N=N1	REAL250004655261	0	33	-1.0	-48.36	287.79	3.16	-45.20
CC1=CC=CC=C1CNC(=O)COCC1=NN=N[N-]1	REAL250004655261	1	33	-1.0	-48.35	287.84	3.17	-45.18
COC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=CO2)C=C1	REAL250004655262	0	33	-1.0	-40.57	295.63	0.75	-39.82
COC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=CO2)C=C1	REAL250004655262	1	33	-1.0	-40.56	295.57	0.73	-39.83
COC1=CC=CC=C1CCNC(=O)COCC1=N[N-]N=N1	REAL250004655263	0	37	-1.0	-52.20	320.49	2.48	-49.72
COC1=CC=CC=C1CCNC(=O)COCC1=NN=N[N-]1	REAL250004655263	1	37	-1.0	-52.23	320.55	2.50	-49.73
COC1=CC=CC(CNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655264	0	34	-1.0	-50.03	300.17	1.65	-48.38
COC1=CC=CC(CNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655264	1	34	-1.0	-50.05	300.23	1.67	-48.38
CC1CCC(NC(=O)COCC2=N[N-]N=N2)CC1	REAL250004655265	0	36	-1.0	-48.87	289.41	3.05	-45.82
CC1CCC(NC(=O)COCC2=NN=N[N-]2)CC1	REAL250004655265	1	36	-1.0	-48.87	289.47	3.06	-45.81
COC1=CC=C(Cl)C=C1COCC1=N[N-]N=N1	REAL250004655266	0	27	-1.0	-42.19	253.92	2.93	-39.26
COC1=CC=C(Cl)C=C1COCC1=NN=N[N-]1	REAL250004655266	1	27	-1.0	-42.18	253.98	2.94	-39.24
C1=CSC(C2=CC(COCC3=NN=N[N-]3)=NO2)=C1	REAL250004655267	0	26	-1.0	-40.45	256.78	3.18	-37.27
C1=CSC(C2=CC(COCC3=N[N-]N=N3)=NO2)=C1	REAL250004655267	1	26	-1.0	-40.44	256.72	3.17	-37.27
COC1=CC=CC=C1CN(C)C(=O)COCC1=N[N-]N=N1	REAL250004655268	0	37	-1.0	-50.86	311.63	3.98	-46.88
COC1=CC=CC=C1CN(C)C(=O)COCC1=NN=N[N-]1	REAL250004655268	1	37	-1.0	-50.89	311.68	4.00	-46.89
CC1=C(COCC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL250004655269	0	29	-1.0	-46.52	277.93	1.01	-45.51
CC1=C(COCC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL250004655269	1	29	-1.0	-46.52	277.88	1.00	-45.52
CCC1=CC=CC=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655270	0	33	-1.0	-50.12	282.61	3.77	-46.35
CCC1=CC=CC=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655270	1	33	-1.0	-50.12	282.67	3.78	-46.34
COC1=CC=CC=C1C(C)NC(=O)COCC1=N[N-]N=N1	REAL250004655271	0	37	-1.0	-52.56	315.46	2.59	-49.97
COC1=CC=CC=C1C(C)NC(=O)COCC1=NN=N[N-]1	REAL250004655271	1	37	-1.0	-52.57	315.52	2.60	-49.97
COC1=CC=C(CN(C)C(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655272	0	37	-1.0	-52.57	317.35	3.77	-48.80
COC1=CC=C(CN(C)C(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655272	1	37	-1.0	-52.54	317.41	3.78	-48.76
CC1=CC=C(CN(C)C(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655273	0	36	-1.0	-52.39	309.27	5.15	-47.24
CC1=CC=C(CN(C)C(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655273	1	36	-1.0	-52.37	309.32	5.16	-47.21
BrC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655274	0	23	-1.0	-39.21	231.81	3.51	-35.70
BrC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655274	1	23	-1.0	-39.22	231.87	3.52	-35.70
FC(F)(F)C1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655275	0	26	-1.0	-38.86	241.20	3.91	-34.95
FC(F)(F)C1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655275	1	26	-1.0	-38.87	241.26	3.92	-34.95
ClC1=CC(COCC2=N[N-]N=N2)=CC2=C1OCCO2	REAL250004655276	0	29	-1.0	-42.37	270.99	2.59	-39.78
ClC1=CC(COCC2=NN=N[N-]2)=CC2=C1OCCO2	REAL250004655276	1	29	-1.0	-42.38	271.05	2.60	-39.78
ClC1=CC(COCC2=N[N-]N=N2)=CC2=C1OCCCO2	REAL250004655277	0	32	-1.0	-42.79	289.45	3.38	-39.41
ClC1=CC(COCC2=NN=N[N-]2)=CC2=C1OCCCO2	REAL250004655277	1	32	-1.0	-42.81	289.51	3.39	-39.42
COC1=CC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655278	0	27	-1.0	-42.07	258.48	3.03	-39.04
COC1=CC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655278	1	27	-1.0	-42.09	258.54	3.05	-39.04
FC1=CC=C(COCC2=N[N-]N=N2)C(Br)=C1	REAL250004655279	0	23	-1.0	-36.33	234.18	3.72	-32.61
FC1=CC=C(COCC2=NN=N[N-]2)C(Br)=C1	REAL250004655279	1	23	-1.0	-36.32	234.24	3.73	-32.59
O=C(COCC1=N[N-]N=N1)NCCC1=CC=CS1	REAL250004655280	0	30	-1.0	-50.59	282.39	2.22	-48.37
O=C(COCC1=NN=N[N-]1)NCCC1=CC=CS1	REAL250004655280	1	30	-1.0	-50.61	282.45	2.23	-48.38
CC1=C(COCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004655281	0	32	-1.0	-46.44	286.93	2.08	-44.36
CC1=C(COCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004655281	1	32	-1.0	-46.44	286.88	2.06	-44.38
CC(NC(=O)COCC1=N[N-]N=N1)C1=CC=CS1	REAL250004655282	0	30	-1.0	-47.69	279.77	2.27	-45.42
CC(NC(=O)COCC1=NN=N[N-]1)C1=CC=CS1	REAL250004655282	1	30	-1.0	-47.74	279.83	2.28	-45.46
CN1C(=O)C=C(COCC2=N[N-]N=N2)N(C)C1=O	REAL250004655283	0	29	-1.0	-47.43	254.16	1.12	-46.31
CN1C(=O)C=C(COCC2=NN=N[N-]2)N(C)C1=O	REAL250004655283	1	29	-1.0	-47.45	254.21	1.14	-46.31
O=C(COCC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1	REAL250004655284	0	31	-1.0	-49.31	277.62	3.81	-45.50
O=C(COCC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1	REAL250004655284	1	31	-1.0	-49.30	277.68	3.83	-45.47
CC1=CC=C(NC(=O)COCC2=N[N-]N=N2)C(F)=C1	REAL250004655285	0	30	-1.0	-47.86	271.09	2.93	-44.93
CC1=CC=C(NC(=O)COCC2=NN=N[N-]2)C(F)=C1	REAL250004655285	1	30	-1.0	-47.85	271.14	2.95	-44.90
CN(CC1=CC=C(F)C=C1)C(=O)COCC1=N[N-]N=N1	REAL250004655286	0	33	-1.0	-52.00	294.26	4.54	-47.46
CN(CC1=CC=C(F)C=C1)C(=O)COCC1=NN=N[N-]1	REAL250004655286	1	33	-1.0	-51.97	294.32	4.55	-47.42
CC1=CC=C(C(C)NC(=O)COCC2=N[N-]N=N2)C=C1C	REAL250004655287	0	39	-1.0	-49.47	326.57	4.40	-45.07
CC1=CC=C(C(C)NC(=O)COCC2=NN=N[N-]2)C=C1C	REAL250004655287	1	39	-1.0	-49.43	326.62	4.41	-45.02
CC1=CC=CC=C1CN(C)C(=O)COCC1=N[N-]N=N1	REAL250004655288	0	36	-1.0	-51.28	303.46	5.67	-45.61
CC1=CC=CC=C1CN(C)C(=O)COCC1=NN=N[N-]1	REAL250004655288	1	36	-1.0	-51.27	303.52	5.68	-45.59
CN(CC1=CC=CS1)C(=O)COCC1=N[N-]N=N1	REAL250004655289	0	30	-1.0	-52.24	278.99	3.60	-48.64
CN(CC1=CC=CS1)C(=O)COCC1=NN=N[N-]1	REAL250004655289	1	30	-1.0	-52.25	279.04	3.61	-48.64
O=C(COCC1=N[N-]N=N1)NCCOC1=CC=CC=C1	REAL250004655290	0	34	-1.0	-50.24	300.56	1.97	-48.27
O=C(COCC1=NN=N[N-]1)NCCOC1=CC=CC=C1	REAL250004655290	1	34	-1.0	-50.27	300.62	1.98	-48.29
CC1CCC(N(C)C(=O)COCC2=N[N-]N=N2)CC1	REAL250004655291	0	39	-1.0	-50.29	295.79	4.41	-45.88
CC1CCC(N(C)C(=O)COCC2=NN=N[N-]2)CC1	REAL250004655291	1	39	-1.0	-50.27	295.85	4.43	-45.84
CC1=CC=CC=C1CCNC(=O)COCC1=N[N-]N=N1	REAL250004655292	0	36	-1.0	-50.70	307.53	3.58	-47.12
CC1=CC=CC=C1CCNC(=O)COCC1=NN=N[N-]1	REAL250004655292	1	36	-1.0	-50.71	307.59	3.60	-47.11
O=C(COCC1=N[N-]N=N1)NC(C1CC1)C1CC1	REAL250004655293	0	34	-1.0	-48.90	287.74	3.02	-45.88
O=C(COCC1=NN=N[N-]1)NC(C1CC1)C1CC1	REAL250004655293	1	34	-1.0	-48.92	287.79	3.04	-45.88
O=C(COCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CC1	REAL250004655294	0	37	-1.0	-48.79	313.11	4.52	-44.27
O=C(COCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CC1	REAL250004655294	1	37	-1.0	-48.82	313.17	4.53	-44.29
FC(F)(F)OC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655295	0	27	-1.0	-38.58	256.52	2.69	-35.89
FC(F)(F)OC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655295	1	27	-1.0	-38.56	256.58	2.70	-35.86
CC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=CO2)C=C1	REAL250004655296	0	32	-1.0	-40.53	287.59	2.12	-38.41
CC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=CO2)C=C1	REAL250004655296	1	32	-1.0	-40.52	287.53	2.10	-38.42
FC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=CS2)C=C1	REAL250004655297	0	29	-1.0	-39.04	280.23	3.92	-35.12
FC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=CS2)C=C1	REAL250004655297	1	29	-1.0	-39.04	280.17	3.90	-35.14
C1=CSC(C2=NC(COCC3=NN=N[N-]3)=CS2)=C1	REAL250004655298	0	26	-1.0	-40.58	265.44	2.89	-37.69
C1=CSC(C2=NC(COCC3=N[N-]N=N3)=CS2)=C1	REAL250004655298	1	26	-1.0	-40.60	265.39	2.87	-37.73
C1=CC=C(N2N=NN=C2COCC2=N[N-]N=N2)C=C1	REAL250004655299	0	28	-1.0	-43.48	254.79	2.36	-41.12
C1=CC=C(N2N=NN=C2COCC2=NN=N[N-]2)C=C1	REAL250004655299	1	28	-1.0	-43.51	254.85	2.38	-41.13
N#CC1=C2C=CC=CN2C=C1COCC1=N[N-]N=N1	REAL250004655300	0	28	-1.0	-42.61	262.71	5.03	-37.58
N#CC1=C2C=CC=CN2C=C1COCC1=NN=N[N-]1	REAL250004655300	1	28	-1.0	-42.59	262.77	5.05	-37.54
CC(NC(=O)COCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004655301	0	33	-1.0	-51.48	300.89	3.63	-47.85
CC(NC(=O)COCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004655301	1	33	-1.0	-51.47	300.95	3.64	-47.83
COC(=O)C1=C(C)C=C(COCC2=N[N-]N=N2)O1	REAL250004655302	0	29	-1.0	-42.92	266.03	2.38	-40.54
COC(=O)C1=C(C)C=C(COCC2=NN=N[N-]2)O1	REAL250004655302	1	29	-1.0	-42.91	266.09	2.40	-40.51
FC1=CC=CC(C2=NC(COCC3=NN=N[N-]3)=CO2)=C1	REAL250004655303	0	29	-1.0	-40.11	272.60	1.51	-38.60
FC1=CC=CC(C2=NC(COCC3=N[N-]N=N3)=CO2)=C1	REAL250004655303	1	29	-1.0	-40.08	272.54	1.49	-38.59
CC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=C2)C=C1	REAL250004655304	0	32	-1.0	-43.78	286.94	4.72	-39.06
CC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=C2)C=C1	REAL250004655304	1	32	-1.0	-43.81	286.89	4.70	-39.11
CC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1C	REAL250004655305	0	36	-1.0	-41.58	300.39	4.47	-37.11
CC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1C	REAL250004655305	1	36	-1.0	-41.58	300.44	4.49	-37.09
C1=CC2=CC=C(OCCOCC3=N[N-]N=N3)C=C2C=C1	REAL250004655306	0	33	-1.0	-45.98	286.46	4.94	-41.04
C1=CC2=CC=C(OCCOCC3=NN=N[N-]3)C=C2C=C1	REAL250004655306	1	33	-1.0	-45.97	286.51	4.96	-41.01
CCCOC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655307	0	37	-1.0	-43.56	313.29	3.67	-39.89
CCCOC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655307	1	37	-1.0	-43.59	313.35	3.68	-39.91
FC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=C2)C=C1	REAL250004655308	0	29	-1.0	-42.12	271.95	4.11	-38.01
FC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=C2)C=C1	REAL250004655308	1	29	-1.0	-42.10	271.89	4.10	-38.00
ClC1=C(COCC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004655309	0	28	-1.0	-47.52	264.32	3.88	-43.64
ClC1=C(COCC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004655309	1	28	-1.0	-47.51	264.27	3.86	-43.65
ClC1=CC=C(COCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004655310	0	28	-1.0	-41.41	263.35	4.00	-37.41
ClC1=CC=C(COCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004655310	1	28	-1.0	-41.39	263.29	3.98	-37.41
COC1=CC=C(COCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004655311	0	29	-1.0	-45.63	266.05	3.63	-42.00
COC1=CC=C(COCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004655311	1	29	-1.0	-45.63	266.10	3.65	-41.98
CN(C)S(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)O1	REAL250004655312	0	31	-1.0	-48.63	290.03	-1.00	-49.63
CN(C)S(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)O1	REAL250004655312	1	31	-1.0	-48.59	290.08	-0.98	-49.57
COC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655313	0	31	-1.0	-47.75	269.69	2.58	-45.17
COC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655313	1	31	-1.0	-47.72	269.75	2.60	-45.12
C1=C(COCC2=N[N-]N=N2)N=C(CC2=CC=CC=C2)S1	REAL250004655314	0	32	-1.0	-40.50	296.96	4.54	-35.96
C1=C(COCC2=NN=N[N-]2)N=C(CC2=CC=CC=C2)S1	REAL250004655314	1	32	-1.0	-40.48	297.02	4.55	-35.93
O=C(COCC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1CC1	REAL250004655315	0	37	-1.0	-51.20	304.63	5.46	-45.74
O=C(COCC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1CC1	REAL250004655315	1	37	-1.0	-51.21	304.69	5.48	-45.73
FC1=CC=C(COCC2=N[N-]N=N2)C=C1Br	REAL250004655316	0	23	-1.0	-38.72	237.53	3.55	-35.17
FC1=CC=C(COCC2=NN=N[N-]2)C=C1Br	REAL250004655316	1	23	-1.0	-38.73	237.59	3.57	-35.16
CC(C)CCOCCNC(=O)COCC1=N[N-]N=N1	REAL250004655317	0	39	-1.0	-49.19	326.77	1.49	-47.70
CC(C)CCOCCNC(=O)COCC1=NN=N[N-]1	REAL250004655317	1	39	-1.0	-49.24	326.83	1.50	-47.74
CCCCOCCNC(=O)COCC1=N[N-]N=N1	REAL250004655318	0	36	-1.0	-49.30	309.20	0.98	-48.32
CCCCOCCNC(=O)COCC1=NN=N[N-]1	REAL250004655318	1	36	-1.0	-49.30	309.26	0.99	-48.31
C1=C(COCC2=N[N-]N=N2)N=C(C2CCCCC2)S1	REAL250004655319	0	35	-1.0	-39.13	298.41	3.99	-35.14
C1=C(COCC2=NN=N[N-]2)N=C(C2CCCCC2)S1	REAL250004655319	1	35	-1.0	-39.12	298.46	4.01	-35.11
CC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=CS2)O1	REAL250004655320	0	29	-1.0	-42.28	278.25	2.72	-39.56
CC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=CS2)O1	REAL250004655320	1	29	-1.0	-42.25	278.19	2.70	-39.55
CN1C=C(C2=NC(COCC3=NN=N[N-]3)=CS2)C=N1	REAL250004655321	0	29	-1.0	-43.54	278.48	1.65	-41.89
CN1C=C(C2=NC(COCC3=N[N-]N=N3)=CS2)C=N1	REAL250004655321	1	29	-1.0	-43.50	278.42	1.63	-41.87
FC1=CC=C(COCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004655322	0	28	-1.0	-41.56	254.51	3.60	-37.96
FC1=CC=C(COCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004655322	1	28	-1.0	-41.61	254.45	3.59	-38.02
FC(F)OC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655323	0	27	-1.0	-42.49	249.78	2.48	-40.01
FC(F)OC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655323	1	27	-1.0	-42.48	249.84	2.49	-39.99
C1=CC2=CC=CC(OCCCOCC3=N[N-]N=N3)=C2C=C1	REAL250004655324	0	36	-1.0	-43.03	307.02	5.59	-37.44
C1=CC2=CC=CC(OCCCOCC3=NN=N[N-]3)=C2C=C1	REAL250004655324	1	36	-1.0	-43.02	307.08	5.61	-37.41
FC(F)(F)COC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655325	0	30	-1.0	-42.96	281.45	3.58	-39.38
FC(F)(F)COC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655325	1	30	-1.0	-42.98	281.51	3.60	-39.38
CC(C)C1=CC=C(COCC2=N[N-]N=N2)C(C(C)C)=C1	REAL250004655326	0	41	-1.0	-40.91	325.54	6.84	-34.07
CC(C)C1=CC=C(COCC2=NN=N[N-]2)C(C(C)C)=C1	REAL250004655326	1	41	-1.0	-40.91	325.60	6.86	-34.05
ClC1=CC=C(COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655327	0	23	-1.0	-36.31	240.41	4.06	-32.25
ClC1=CC=C(COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655327	1	23	-1.0	-36.29	240.47	4.08	-32.21
CCCCC1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655328	0	31	-1.0	-39.38	280.05	3.08	-36.30
CCCCC1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655328	1	31	-1.0	-39.37	280.11	3.09	-36.28
BrC1=C(COCC2=N[N-]N=N2)SC=C1	REAL250004655329	0	20	-1.0	-39.28	220.19	2.52	-36.76
BrC1=C(COCC2=NN=N[N-]2)SC=C1	REAL250004655329	1	20	-1.0	-39.29	220.25	2.53	-36.76
C1=CC2=CC=CC(OCCOCC3=N[N-]N=N3)=C2C=C1	REAL250004655330	0	33	-1.0	-46.01	285.48	4.99	-41.02
C1=CC2=CC=CC(OCCOCC3=NN=N[N-]3)=C2C=C1	REAL250004655330	1	33	-1.0	-46.01	285.54	5.00	-41.01
COC(=O)C1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655331	0	33	-1.0	-49.56	295.23	3.32	-46.24
COC(=O)C1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655331	1	33	-1.0	-49.55	295.29	3.34	-46.21
CCC1=C(C(=O)COCC2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL250004655332	0	37	-1.0	-52.61	324.06	4.13	-48.48
CCC1=C(C(=O)COCC2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL250004655332	1	37	-1.0	-52.58	324.12	4.14	-48.44
C1=C(COCC2=N[N-]N=N2)N=C(C2CCCC2)S1	REAL250004655333	0	32	-1.0	-39.41	279.45	3.32	-36.09
C1=C(COCC2=NN=N[N-]2)N=C(C2CCCC2)S1	REAL250004655333	1	32	-1.0	-39.41	279.50	3.34	-36.07
ClC1=CC=CC(OCCCOCC2=N[N-]N=N2)=C1	REAL250004655334	0	30	-1.0	-41.11	278.72	3.78	-37.33
ClC1=CC=CC(OCCCOCC2=NN=N[N-]2)=C1	REAL250004655334	1	30	-1.0	-41.11	278.77	3.79	-37.32
FC1=CC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655335	0	23	-1.0	-39.26	235.53	3.74	-35.52
FC1=CC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655335	1	23	-1.0	-39.25	235.59	3.76	-35.49
N#CC1=CC=CC(CNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655336	0	31	-1.0	-51.61	291.52	2.74	-48.87
N#CC1=CC=CC(CNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655336	1	31	-1.0	-51.64	291.58	2.75	-48.89
N#CC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655337	0	31	-1.0	-50.56	291.52	2.75	-47.81
N#CC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655337	1	31	-1.0	-50.58	291.57	2.76	-47.82
C1=CC(OCCCOCC2=N[N-]N=N2)=CC2=C1OCO2	REAL250004655338	0	33	-1.0	-43.38	288.06	1.91	-41.47
C1=CC(OCCCOCC2=NN=N[N-]2)=CC2=C1OCO2	REAL250004655338	1	33	-1.0	-43.43	288.11	1.92	-41.51
C1=CN(C2=CC=C(COCC3=NN=N[N-]3)C=C2)N=C1	REAL250004655339	0	30	-1.0	-43.83	268.94	4.11	-39.72
C1=CN(C2=CC=C(COCC3=N[N-]N=N3)C=C2)N=C1	REAL250004655339	1	30	-1.0	-43.88	268.88	4.10	-39.78
C1=NN(C2=CC=CC=C2)N=C1COCC1=N[N-]N=N1	REAL250004655340	0	29	-1.0	-42.62	264.18	2.72	-39.90
C1=NN(C2=CC=CC=C2)N=C1COCC1=NN=N[N-]1	REAL250004655340	1	29	-1.0	-42.62	264.24	2.73	-39.89
FC(F)OC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655341	0	27	-1.0	-42.41	249.78	2.48	-39.93
FC(F)OC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655341	1	27	-1.0	-42.42	249.84	2.49	-39.93
FC(F)(F)C1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655342	0	30	-1.0	-47.87	277.91	3.75	-44.12
FC(F)(F)C1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655342	1	30	-1.0	-47.87	277.97	3.76	-44.11
CC(C)CCC1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655343	0	34	-1.0	-39.21	297.62	3.59	-35.62
CC(C)CCC1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655343	1	34	-1.0	-39.23	297.68	3.61	-35.62
CC(=O)N1CCC(NC(=O)COCC2=N[N-]N=N2)CC1	REAL250004655344	0	37	-1.0	-56.26	307.40	0.83	-55.43
CC(=O)N1CCC(NC(=O)COCC2=NN=N[N-]2)CC1	REAL250004655344	1	37	-1.0	-56.27	307.46	0.84	-55.43
ClC1=CN2C=C(COCC3=N[N-]N=N3)N=C2C=C1	REAL250004655345	0	26	-1.0	-41.16	253.13	3.97	-37.19
ClC1=CN2C=C(COCC3=NN=N[N-]3)N=C2C=C1	REAL250004655345	1	26	-1.0	-41.18	253.19	3.98	-37.20
C1=CC2=CC=C(OCCCOCC3=N[N-]N=N3)C=C2C=C1	REAL250004655346	0	36	-1.0	-42.92	308.00	5.55	-37.37
C1=CC2=CC=C(OCCCOCC3=NN=N[N-]3)C=C2C=C1	REAL250004655346	1	36	-1.0	-42.93	308.06	5.56	-37.37
COC1=CC(COCC2=N[N-]N=N2)=CC=C1SC	REAL250004655347	0	31	-1.0	-42.06	279.44	3.24	-38.82
COC1=CC(COCC2=NN=N[N-]2)=CC=C1SC	REAL250004655347	1	31	-1.0	-42.05	279.49	3.26	-38.79
O=C(COCC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)CC1	REAL250004655348	0	38	-1.0	-51.77	313.98	2.92	-48.85
O=C(COCC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)CC1	REAL250004655348	1	38	-1.0	-51.78	314.04	2.93	-48.85
CN(C)C(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655349	0	33	-1.0	-49.63	282.69	2.74	-46.89
CN(C)C(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655349	1	33	-1.0	-49.60	282.75	2.75	-46.85
C1=CN(C2=CC=CC=C2)N=C1COCC1=N[N-]N=N1	REAL250004655350	0	30	-1.0	-43.42	268.43	4.08	-39.34
C1=CN(C2=CC=CC=C2)N=C1COCC1=NN=N[N-]1	REAL250004655350	1	30	-1.0	-43.42	268.48	4.10	-39.32
FC1=CC=CC(N2C=CC(COCC3=N[N-]N=N3)=N2)=C1	REAL250004655351	0	30	-1.0	-44.02	274.83	4.15	-39.87
FC1=CC=CC(N2C=CC(COCC3=NN=N[N-]3)=N2)=C1	REAL250004655351	1	30	-1.0	-44.02	274.89	4.17	-39.85
O=[N+]([O-])C1=CC=CC(F)=C1COCC1=N[N-]N=N1	REAL250004655352	0	25	-1.0	-48.14	237.61	4.00	-44.14
O=[N+]([O-])C1=CC=CC(F)=C1COCC1=NN=N[N-]1	REAL250004655352	1	25	-1.0	-48.14	237.66	4.01	-44.13
CC(C)OC1=CC=C([N+](=O)[O-])C=C1COCC1=N[N-]N=N1	REAL250004655353	0	35	-1.0	-48.28	305.17	4.65	-43.63
CC(C)OC1=CC=C([N+](=O)[O-])C=C1COCC1=NN=N[N-]1	REAL250004655353	1	35	-1.0	-48.30	305.23	4.66	-43.64
COC1=CC=C(COCCOCC2=N[N-]N=N2)C=C1	REAL250004655354	0	34	-1.0	-44.30	295.50	2.42	-41.88
COC1=CC=C(COCCOCC2=NN=N[N-]2)C=C1	REAL250004655354	1	34	-1.0	-44.31	295.56	2.44	-41.87
FC(F)(F)C1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655355	0	30	-1.0	-41.72	279.17	3.66	-38.06
FC(F)(F)C1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655355	1	30	-1.0	-41.72	279.23	3.68	-38.04
ClC1=CC=CC(C2=NN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655356	0	28	-1.0	-44.97	278.79	-0.62	-45.59
ClC1=CC=CC(C2=NN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655356	1	28	-1.0	-45.00	278.85	-0.60	-45.60
FC1=CC=C(Br)C(COCC2=N[N-]N=N2)=C1	REAL250004655357	0	23	-1.0	-40.00	234.18	3.72	-36.28
FC1=CC=C(Br)C(COCC2=NN=N[N-]2)=C1	REAL250004655357	1	23	-1.0	-39.98	234.24	3.73	-36.25
FC(F)OC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655358	0	27	-1.0	-42.41	249.78	2.48	-39.93
FC(F)OC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655358	1	27	-1.0	-42.42	249.84	2.49	-39.93
C1=C(COCC2=NN=N[N-]2)ON=C1C1=CC=CC=C1	REAL250004655359	0	29	-1.0	-43.82	265.55	4.04	-39.78
C1=C(COCC2=N[N-]N=N2)ON=C1C1=CC=CC=C1	REAL250004655359	1	29	-1.0	-43.83	265.49	4.03	-39.80
COC(=O)CCC1=NC(COCC2=N[N-]N=N2)=NO1	REAL250004655360	0	30	-1.0	-44.17	279.04	-0.01	-44.18
COC(=O)CCC1=NC(COCC2=NN=N[N-]2)=NO1	REAL250004655360	1	30	-1.0	-44.17	279.10	0.00	-44.17
COC(=O)CCCC1=NC(COCC2=N[N-]N=N2)=NO1	REAL250004655361	0	33	-1.0	-52.80	300.54	0.77	-52.03
COC(=O)CCCC1=NC(COCC2=NN=N[N-]2)=NO1	REAL250004655361	1	33	-1.0	-52.79	300.59	0.78	-52.01
ClC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=NO2)C=C1	REAL250004655362	0	28	-1.0	-42.59	278.36	2.02	-40.57
ClC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=NO2)C=C1	REAL250004655362	1	28	-1.0	-42.59	278.30	2.01	-40.58
CC1=CC=CC(C)=C1OCCCOCC1=N[N-]N=N1	REAL250004655363	0	36	-1.0	-40.98	303.79	4.80	-36.18
CC1=CC=CC(C)=C1OCCCOCC1=NN=N[N-]1	REAL250004655363	1	36	-1.0	-40.96	303.85	4.82	-36.14
CC(C)(C)C1=CC=CC(OCCCOCC2=N[N-]N=N2)=C1	REAL250004655364	0	42	-1.0	-41.03	338.17	5.58	-35.45
CC(C)(C)C1=CC=CC(OCCCOCC2=NN=N[N-]2)=C1	REAL250004655364	1	42	-1.0	-41.06	338.23	5.60	-35.46
CC1=CC=CC(CNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655365	0	33	-1.0	-48.55	292.07	3.02	-45.53
CC1=CC=CC(CNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655365	1	33	-1.0	-48.55	292.13	3.04	-45.51
CC1CCC(N(C(=O)COCC2=N[N-]N=N2)C2CC2)CC1	REAL250004655366	0	43	-1.0	-48.63	323.89	5.55	-43.08
CC1CCC(N(C(=O)COCC2=NN=N[N-]2)C2CC2)CC1	REAL250004655366	1	43	-1.0	-48.63	323.94	5.57	-43.06
CCOC(C)C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655367	0	31	-1.0	-43.24	277.87	-1.02	-44.26
CCOC(C)C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655367	1	31	-1.0	-43.27	277.92	-1.01	-44.28
CCOC(C)C1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655368	0	32	-1.0	-39.83	291.10	1.50	-38.33
CCOC(C)C1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655368	1	32	-1.0	-39.83	291.16	1.51	-38.32
FC(F)(F)COC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655369	0	30	-1.0	-41.05	281.45	3.59	-37.46
FC(F)(F)COC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655369	1	30	-1.0	-41.08	281.51	3.60	-37.48
C1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)N=C1	REAL250004655370	0	27	-1.0	-48.40	256.76	-0.34	-48.74
C1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)N=C1	REAL250004655370	1	27	-1.0	-48.41	256.82	-0.32	-48.73
C1=CC=C(CC2=NOC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655371	0	31	-1.0	-43.02	283.49	2.11	-40.91
C1=CC=C(CC2=NOC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655371	1	31	-1.0	-43.04	283.54	2.12	-40.92
CC(C)CCC1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655372	0	33	-1.0	-42.00	284.15	1.17	-40.83
CC(C)CCC1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655372	1	33	-1.0	-42.00	284.20	1.18	-40.82
CS(=O)(=O)C1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655373	0	33	-1.0	-51.52	301.12	0.18	-51.34
CS(=O)(=O)C1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655373	1	33	-1.0	-51.52	301.18	0.20	-51.32
FC(F)(F)CN1C=CN=C1COCC1=N[N-]N=N1	REAL250004655374	0	26	-1.0	-43.43	247.72	2.43	-41.00
FC(F)(F)CN1C=CN=C1COCC1=NN=N[N-]1	REAL250004655374	1	26	-1.0	-43.45	247.78	2.44	-41.01
COC1=CC(C#N)=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655375	0	32	-1.0	-46.58	290.47	3.00	-43.58
COC1=CC(C#N)=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655375	1	32	-1.0	-46.55	290.53	3.01	-43.54
CS(=O)(=O)C1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655376	0	33	-1.0	-54.13	301.13	0.18	-53.95
CS(=O)(=O)C1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655376	1	33	-1.0	-54.12	301.19	0.20	-53.92
O=C1C2=CC=CC=C2N=CN1CCOCC1=NN=N[N-]1	REAL250004655377	0	31	-1.0	-43.81	276.35	3.81	-40.00
O=C1C2=CC=CC=C2N=CN1CCOCC1=N[N-]N=N1	REAL250004655377	1	31	-1.0	-43.82	276.29	3.80	-40.02
N#CC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655378	0	31	-1.0	-42.20	282.80	3.67	-38.53
N#CC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655378	1	31	-1.0	-42.27	282.86	3.68	-38.59
CC1=NC2=CC=CC=C2C(COCC2=N[N-]N=N2)=C1	REAL250004655379	0	31	-1.0	-42.57	269.26	4.00	-38.57
CC1=NC2=CC=CC=C2C(COCC2=NN=N[N-]2)=C1	REAL250004655379	1	31	-1.0	-42.58	269.31	4.02	-38.56
FC(F)OC1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655380	0	27	-1.0	-41.72	246.94	2.70	-39.02
FC(F)OC1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655380	1	27	-1.0	-41.71	247.00	2.71	-39.00
ClC1=CC(Cl)=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655381	0	27	-1.0	-40.75	273.90	3.69	-37.06
ClC1=CC(Cl)=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655381	1	27	-1.0	-40.77	273.96	3.70	-37.07
O=C(COCC1=N[N-]N=N1)NCCCOC1CCCCC1	REAL250004655382	0	43	-1.0	-48.87	349.68	2.81	-46.06
O=C(COCC1=NN=N[N-]1)NCCCOC1CCCCC1	REAL250004655382	1	43	-1.0	-48.88	349.73	2.82	-46.06
O=C(COCC1=N[N-]N=N1)NCCOC1=CC=CC(F)=C1	REAL250004655383	0	34	-1.0	-51.54	306.97	2.04	-49.50
O=C(COCC1=NN=N[N-]1)NCCOC1=CC=CC(F)=C1	REAL250004655383	1	34	-1.0	-51.55	307.03	2.05	-49.50
CN(CC1CCCCC1)C(=O)COCC1=N[N-]N=N1	REAL250004655384	0	39	-1.0	-50.49	306.39	4.58	-45.91
CN(CC1CCCCC1)C(=O)COCC1=NN=N[N-]1	REAL250004655384	1	39	-1.0	-50.50	306.45	4.59	-45.91
O=C(COCC1=N[N-]N=N1)N(C1CC1)C1CCCC1	REAL250004655385	0	37	-1.0	-49.64	281.31	4.21	-45.43
O=C(COCC1=NN=N[N-]1)N(C1CC1)C1CCCC1	REAL250004655385	1	37	-1.0	-49.61	281.37	4.22	-45.39
O=C(COCC1=N[N-]N=N1)NCCOC1=CC=C(F)C=C1	REAL250004655386	0	34	-1.0	-50.38	306.97	2.03	-48.35
O=C(COCC1=NN=N[N-]1)NCCOC1=CC=C(F)C=C1	REAL250004655386	1	34	-1.0	-50.42	307.03	2.04	-48.38
O=C(COCC1=N[N-]N=N1)NCC1=CC(F)=CC(F)=C1	REAL250004655387	0	30	-1.0	-47.66	283.49	2.49	-45.17
O=C(COCC1=NN=N[N-]1)NCC1=CC(F)=CC(F)=C1	REAL250004655387	1	30	-1.0	-47.67	283.55	2.51	-45.16
CC(C)N(CC(F)(F)F)C(=O)COCC1=N[N-]N=N1	REAL250004655388	0	32	-1.0	-49.79	274.80	3.04	-46.75
CC(C)N(CC(F)(F)F)C(=O)COCC1=NN=N[N-]1	REAL250004655388	1	32	-1.0	-49.78	274.85	3.06	-46.72
O=C(COCC1=N[N-]N=N1)NCCC1=C(F)C=CC=C1F	REAL250004655389	0	33	-1.0	-51.97	302.80	3.18	-48.79
O=C(COCC1=NN=N[N-]1)NCCC1=C(F)C=CC=C1F	REAL250004655389	1	33	-1.0	-52.01	302.86	3.19	-48.82
O=C(COCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004655390	0	37	-1.0	-51.01	307.90	4.23	-46.78
O=C(COCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004655390	1	37	-1.0	-51.04	307.96	4.24	-46.80
CC1=CC=C(CN(C(=O)COCC2=N[N-]N=N2)C2CC2)O1	REAL250004655391	0	37	-1.0	-51.66	313.71	4.74	-46.92
CC1=CC=C(CN(C(=O)COCC2=NN=N[N-]2)C2CC2)O1	REAL250004655391	1	37	-1.0	-51.66	313.76	4.75	-46.91
CC1=CC=CC=C1CC(C)NC(=O)COCC1=N[N-]N=N1	REAL250004655392	0	39	-1.0	-51.19	327.15	4.51	-46.68
CC1=CC=CC=C1CC(C)NC(=O)COCC1=NN=N[N-]1	REAL250004655392	1	39	-1.0	-51.23	327.21	4.53	-46.70
CCC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)S1	REAL250004655393	0	33	-1.0	-48.01	304.26	3.03	-44.98
CCC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)S1	REAL250004655393	1	33	-1.0	-48.04	304.31	3.04	-45.00
COC1=CC=CC(C2=NN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655394	0	32	-1.0	-47.44	291.53	-1.83	-49.27
COC1=CC=CC(C2=NN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655394	1	32	-1.0	-47.45	291.59	-1.81	-49.26
CC(C)COC(C)C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655395	0	37	-1.0	-43.05	319.47	0.48	-42.57
CC(C)COC(C)C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655395	1	37	-1.0	-43.06	319.53	0.49	-42.57
CC1=C(C)C(C)=C(NC(=O)COCC2=N[N-]N=N2)S1	REAL250004655396	0	33	-1.0	-50.84	292.85	3.33	-47.51
CC1=C(C)C(C)=C(NC(=O)COCC2=NN=N[N-]2)S1	REAL250004655396	1	33	-1.0	-50.85	292.91	3.34	-47.51
COC1=CC=CC=C1C1=NN=C(COCC2=N[N-]N=N2)O1	REAL250004655397	0	32	-1.0	-49.83	289.35	-1.42	-51.25
COC1=CC=CC=C1C1=NN=C(COCC2=NN=N[N-]2)O1	REAL250004655397	1	32	-1.0	-49.85	289.41	-1.41	-51.26
O=C(COCC1=N[N-]N=N1)NC1=CC=C(F)C(Cl)=C1	REAL250004655398	0	27	-1.0	-47.60	267.18	2.71	-44.89
O=C(COCC1=NN=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250004655398	1	27	-1.0	-47.62	267.23	2.73	-44.89
FC1=CC=CC(C2=NN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655399	0	28	-1.0	-45.50	268.47	-1.06	-46.56
FC1=CC=CC(C2=NN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655399	1	28	-1.0	-45.48	268.53	-1.04	-46.52
ClC1=CC=C(Cl)C(COCC2=N[N-]N=N2)=C1	REAL250004655400	0	23	-1.0	-39.25	240.41	4.06	-35.19
ClC1=CC=C(Cl)C(COCC2=NN=N[N-]2)=C1	REAL250004655400	1	23	-1.0	-39.24	240.47	4.08	-35.16
N#CC1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655401	0	29	-1.0	-45.27	282.85	-0.73	-46.00
N#CC1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655401	1	29	-1.0	-45.26	282.91	-0.72	-45.98
N#CC1=CC=CC(C2=NN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655402	0	29	-1.0	-47.63	282.90	-0.74	-48.37
N#CC1=CC=CC(C2=NN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655402	1	29	-1.0	-47.62	282.95	-0.73	-48.35
COC(=O)C1=CC=C(COCC2=N[N-]N=N2)C(OC)=C1	REAL250004655403	0	33	-1.0	-40.58	291.94	3.07	-37.51
COC(=O)C1=CC=C(COCC2=NN=N[N-]2)C(OC)=C1	REAL250004655403	1	33	-1.0	-40.56	292.00	3.09	-37.47
FC(F)(F)COC1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655404	0	30	-1.0	-43.03	278.62	3.82	-39.21
FC(F)(F)COC1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655404	1	30	-1.0	-43.01	278.67	3.83	-39.18
CCOC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655405	0	34	-1.0	-48.02	291.54	3.50	-44.52
CCOC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655405	1	34	-1.0	-48.01	291.60	3.52	-44.49
FC(F)(F)CC1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655406	0	24	-1.0	-44.13	242.58	-0.61	-44.74
FC(F)(F)CC1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655406	1	24	-1.0	-44.16	242.64	-0.60	-44.76
CSC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655407	0	31	-1.0	-43.62	280.63	3.67	-39.95
CSC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655407	1	31	-1.0	-43.64	280.68	3.69	-39.95
COC1=CC=C(Cl)C=C1COCC1=N[N-]N=N1	REAL250004655408	0	27	-1.0	-42.19	253.92	2.93	-39.26
COC1=CC=C(Cl)C=C1COCC1=NN=N[N-]1	REAL250004655408	1	27	-1.0	-42.18	253.98	2.94	-39.24
CC1=CC=CC=C1CC1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655409	0	34	-1.0	-42.44	300.64	2.65	-39.79
CC1=CC=CC=C1CC1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655409	1	34	-1.0	-42.43	300.70	2.66	-39.77
O=[N+]([O-])C1=CC=C(COCC2=N[N-]N=N2)C(F)=C1	REAL250004655410	0	25	-1.0	-36.55	242.45	3.80	-32.75
O=[N+]([O-])C1=CC=C(COCC2=NN=N[N-]2)C(F)=C1	REAL250004655410	1	25	-1.0	-36.57	242.51	3.81	-32.76
COC1=CC=CC(CN(C)C(=O)COCC2=N[N-]N=N2)=C1	REAL250004655411	0	37	-1.0	-56.84	317.31	3.77	-53.07
COC1=CC=CC(CN(C)C(=O)COCC2=NN=N[N-]2)=C1	REAL250004655411	1	37	-1.0	-56.84	317.37	3.78	-53.06
O=C(COCC1=N[N-]N=N1)NC1CCOC2=CC=CC=C21	REAL250004655412	0	35	-1.0	-51.09	295.32	2.10	-48.99
O=C(COCC1=NN=N[N-]1)NC1CCOC2=CC=CC=C21	REAL250004655412	1	35	-1.0	-51.09	295.37	2.12	-48.97
CCCCN(CCCC)C(=O)COCC1=N[N-]N=N1	REAL250004655413	0	41	-1.0	-49.40	334.80	5.48	-43.92
CCCCN(CCCC)C(=O)COCC1=NN=N[N-]1	REAL250004655413	1	41	-1.0	-49.39	334.86	5.50	-43.89
CN(CC1=CC=CC=C1F)C(=O)COCC1=N[N-]N=N1	REAL250004655414	0	33	-1.0	-56.72	287.23	4.36	-52.36
CN(CC1=CC=CC=C1F)C(=O)COCC1=NN=N[N-]1	REAL250004655414	1	33	-1.0	-56.78	287.29	4.37	-52.41
O=C(COCC1=N[N-]N=N1)N1CCCC2CCCCC21	REAL250004655415	0	40	-1.0	-49.44	304.34	4.66	-44.78
O=C(COCC1=NN=N[N-]1)N1CCCC2CCCCC21	REAL250004655415	1	40	-1.0	-49.45	304.39	4.67	-44.78
CCN(CC1=CC=CC(F)=C1)C(=O)COCC1=N[N-]N=N1	REAL250004655416	0	36	-1.0	-48.66	314.23	5.45	-43.21
CCN(CC1=CC=CC(F)=C1)C(=O)COCC1=NN=N[N-]1	REAL250004655416	1	36	-1.0	-48.66	314.29	5.46	-43.20
COC(C)C1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655417	0	29	-1.0	-39.88	269.25	0.52	-39.36
COC(C)C1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655417	1	29	-1.0	-39.88	269.31	0.54	-39.34
C#CCN1CCN(C(=O)COCC2=N[N-]N=N2)CC1	REAL250004655418	0	34	-1.0	-49.41	290.11	1.32	-48.09
C#CCN1CCN(C(=O)COCC2=NN=N[N-]2)CC1	REAL250004655418	1	34	-1.0	-49.45	290.17	1.33	-48.12
CN(CC1=CC=CO1)C(=O)COCC1=N[N-]N=N1	REAL250004655419	0	30	-1.0	-54.44	269.51	2.63	-51.81
CN(CC1=CC=CO1)C(=O)COCC1=NN=N[N-]1	REAL250004655419	1	30	-1.0	-54.47	269.57	2.64	-51.83
O=C(C1=CC=C(COCC2=N[N-]N=N2)C=C1)N1CCCC1	REAL250004655420	0	37	-1.0	-45.52	306.58	3.90	-41.62
O=C(C1=CC=C(COCC2=NN=N[N-]2)C=C1)N1CCCC1	REAL250004655420	1	37	-1.0	-45.54	306.64	3.91	-41.63
CC(C1=CC=CC=C1)N(C)C(=O)COCC1=N[N-]N=N1	REAL250004655421	0	36	-1.0	-51.09	298.59	4.89	-46.20
CC(C1=CC=CC=C1)N(C)C(=O)COCC1=NN=N[N-]1	REAL250004655421	1	36	-1.0	-51.14	298.65	4.91	-46.23
CC1=CC=C(CN(C)C(=O)COCC2=N[N-]N=N2)O1	REAL250004655422	0	33	-1.0	-55.19	291.42	3.45	-51.74
CC1=CC=C(CN(C)C(=O)COCC2=NN=N[N-]2)O1	REAL250004655422	1	33	-1.0	-55.24	291.48	3.46	-51.78
CC(C)CCCC(C)NC(=O)COCC1=N[N-]N=N1	REAL250004655423	0	41	-1.0	-49.35	334.07	3.97	-45.38
CC(C)CCCC(C)NC(=O)COCC1=NN=N[N-]1	REAL250004655423	1	41	-1.0	-49.32	334.13	3.98	-45.34
CCCCCC(C)NC(=O)COCC1=N[N-]N=N1	REAL250004655424	0	38	-1.0	-49.32	316.50	3.45	-45.87
CCCCCC(C)NC(=O)COCC1=NN=N[N-]1	REAL250004655424	1	38	-1.0	-49.34	316.56	3.46	-45.88
CC1=NN(C)C(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655425	0	30	-1.0	-52.61	266.87	1.39	-51.22
CC1=NN(C)C(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655425	1	30	-1.0	-52.57	266.93	1.40	-51.17
CC(=O)N1CCN(C(=O)C(C)OCC2=N[N-]N=N2)CC1	REAL250004655426	0	37	-1.0	-52.29	298.54	1.80	-50.49
CC(=O)N1CCN(C(=O)C(C)OCC2=NN=N[N-]2)CC1	REAL250004655426	1	37	-1.0	-52.29	298.60	1.82	-50.47
FC1=CC(COCC2=N[N-]N=N2)=CC=C1Br	REAL250004655427	0	23	-1.0	-38.76	237.53	3.56	-35.20
FC1=CC(COCC2=NN=N[N-]2)=CC=C1Br	REAL250004655427	1	23	-1.0	-38.77	237.59	3.58	-35.19
CN(CC(F)(F)F)C(=O)COCC1=N[N-]N=N1	REAL250004655428	0	26	-1.0	-50.63	244.45	1.80	-48.83
CN(CC(F)(F)F)C(=O)COCC1=NN=N[N-]1	REAL250004655428	1	26	-1.0	-50.63	244.51	1.82	-48.81
CC(C)CN(C(=O)COCC1=N[N-]N=N1)C1CC1	REAL250004655429	0	36	-1.0	-49.76	290.02	4.08	-45.68
CC(C)CN(C(=O)COCC1=NN=N[N-]1)C1CC1	REAL250004655429	1	36	-1.0	-49.77	290.08	4.10	-45.67
CC(C1CC1)N(C(=O)COCC1=N[N-]N=N1)C1CC1	REAL250004655430	0	37	-1.0	-48.22	297.98	4.74	-43.48
CC(C1CC1)N(C(=O)COCC1=NN=N[N-]1)C1CC1	REAL250004655430	1	37	-1.0	-48.23	298.04	4.75	-43.48
CC(C)CC(C)N(C)C(=O)COCC1=N[N-]N=N1	REAL250004655431	0	38	-1.0	-50.22	303.35	4.38	-45.84
CC(C)CC(C)N(C)C(=O)COCC1=NN=N[N-]1	REAL250004655431	1	38	-1.0	-50.21	303.41	4.40	-45.81
N#CC1=CC=C(COCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL250004655432	0	28	-1.0	-40.43	267.75	3.08	-37.35
N#CC1=CC=C(COCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL250004655432	1	28	-1.0	-40.43	267.81	3.10	-37.33
C1=CC(C2CCCCC2)=CC=C1COCC1=N[N-]N=N1	REAL250004655433	0	39	-1.0	-39.55	312.38	6.70	-32.85
C1=CC(C2CCCCC2)=CC=C1COCC1=NN=N[N-]1	REAL250004655433	1	39	-1.0	-39.55	312.44	6.72	-32.83
O=C(C1=CC=CC=C1)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655434	0	35	-1.0	-43.78	307.17	6.14	-37.64
O=C(C1=CC=CC=C1)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655434	1	35	-1.0	-43.76	307.22	6.15	-37.61
CC1=C(COCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004655435	0	32	-1.0	-42.53	269.94	5.57	-36.96
CC1=C(COCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004655435	1	32	-1.0	-42.52	269.99	5.59	-36.93
CC1=CC(C2=NOC(COCC3=NN=N[N-]3)=N2)=CC=C1F	REAL250004655436	0	31	-1.0	-41.99	288.16	2.27	-39.72
CC1=CC(C2=NOC(COCC3=N[N-]N=N3)=N2)=CC=C1F	REAL250004655436	1	31	-1.0	-41.97	288.11	2.25	-39.72
N#CC1=CC=CC(OCCCOCC2=N[N-]N=N2)=C1	REAL250004655437	0	31	-1.0	-43.51	282.83	3.65	-39.86
N#CC1=CC=CC(OCCCOCC2=NN=N[N-]2)=C1	REAL250004655437	1	31	-1.0	-43.52	282.89	3.67	-39.85
O=[N+]([O-])C1=CC(COCC2=N[N-]N=N2)=CC=C1Cl	REAL250004655438	0	25	-1.0	-42.04	251.19	3.95	-38.09
O=[N+]([O-])C1=CC(COCC2=NN=N[N-]2)=CC=C1Cl	REAL250004655438	1	25	-1.0	-42.06	251.25	3.96	-38.10
O=C(COCC1=NN=N[N-]1)NC1=CC=NN1C1CCCC1	REAL250004655439	0	37	-1.0	-51.56	309.96	3.77	-47.79
O=C(COCC1=N[N-]N=N1)NC1=CC=NN1C1CCCC1	REAL250004655439	1	37	-1.0	-51.54	309.91	3.75	-47.79
CC1=NN(C(C)(C)C)C(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655440	0	39	-1.0	-52.13	320.67	3.61	-48.52
CC1=NN(C(C)(C)C)C(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655440	1	39	-1.0	-52.15	320.73	3.62	-48.53
C1=CSC(C2=CN=C(COCC3=N[N-]N=N3)O2)=C1	REAL250004655441	0	26	-1.0	-44.31	257.88	0.52	-43.79
C1=CSC(C2=CN=C(COCC3=NN=N[N-]3)O2)=C1	REAL250004655441	1	26	-1.0	-44.32	257.94	0.54	-43.78
CC1=CC=C(C2=CN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655442	0	32	-1.0	-45.12	287.11	2.05	-43.07
CC1=CC=C(C2=CN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655442	1	32	-1.0	-45.15	287.17	2.07	-43.08
ClC1=CC=CC=C1C1=CN=C(COCC2=N[N-]N=N2)O1	REAL250004655443	0	29	-1.0	-45.51	282.47	1.95	-43.56
ClC1=CC=CC=C1C1=CN=C(COCC2=NN=N[N-]2)O1	REAL250004655443	1	29	-1.0	-45.50	282.52	1.96	-43.54
FC1=CC=CC=C1C1=CN=C(COCC2=N[N-]N=N2)O1	REAL250004655444	0	29	-1.0	-46.99	274.00	1.51	-45.48
FC1=CC=CC=C1C1=CN=C(COCC2=NN=N[N-]2)O1	REAL250004655444	1	29	-1.0	-46.96	274.06	1.53	-45.43
ClC1=CC=C(N2C=C(COCC3=N[N-]N=N3)N=N2)C=C1	REAL250004655445	0	29	-1.0	-38.44	279.25	3.30	-35.14
ClC1=CC=C(N2C=C(COCC3=NN=N[N-]3)N=N2)C=C1	REAL250004655445	1	29	-1.0	-38.43	279.31	3.31	-35.12
CC(C)N(C(=O)COCC1=N[N-]N=N1)C1CCCC1	REAL250004655446	0	39	-1.0	-49.08	302.87	4.53	-44.55
CC(C)N(C(=O)COCC1=NN=N[N-]1)C1CCCC1	REAL250004655446	1	39	-1.0	-49.14	302.92	4.55	-44.59
CC(NC(=O)COCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004655447	0	33	-1.0	-49.97	280.65	-0.52	-50.49
CC(NC(=O)COCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004655447	1	33	-1.0	-49.93	280.71	-0.51	-50.44
CC1CCCCC1OCCNC(=O)COCC1=N[N-]N=N1	REAL250004655448	0	43	-1.0	-48.98	345.82	2.89	-46.09
CC1CCCCC1OCCNC(=O)COCC1=NN=N[N-]1	REAL250004655448	1	43	-1.0	-49.02	345.91	2.90	-46.12
O=C(COCC1=N[N-]N=N1)NCCCC1CCCCC1	REAL250004655449	0	42	-1.0	-48.82	334.44	4.08	-44.74
O=C(COCC1=NN=N[N-]1)NCCCC1CCCCC1	REAL250004655449	1	42	-1.0	-48.84	334.50	4.09	-44.75
COCC1=CC=CC(CNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655450	0	37	-1.0	-49.98	325.73	2.08	-47.90
COCC1=CC=CC(CNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655450	1	37	-1.0	-50.00	325.79	2.09	-47.91
CC(NC(=O)COCC1=N[N-]N=N1)C(=O)N1CCCCC1	REAL250004655451	0	40	-1.0	-48.65	325.49	1.59	-47.06
CC(NC(=O)COCC1=NN=N[N-]1)C(=O)N1CCCCC1	REAL250004655451	1	40	-1.0	-48.64	325.55	1.60	-47.04
COC1=CC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655452	0	27	-1.0	-42.07	258.48	3.03	-39.04
COC1=CC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655452	1	27	-1.0	-42.09	258.54	3.05	-39.04
FC1=CC=C(OCCCOCC2=N[N-]N=N2)C=C1	REAL250004655453	0	30	-1.0	-40.41	268.40	3.33	-37.08
FC1=CC=C(OCCCOCC2=NN=N[N-]2)C=C1	REAL250004655453	1	30	-1.0	-40.43	268.45	3.34	-37.09
C1=CC=C(CCOCCCOCC2=N[N-]N=N2)C=C1	REAL250004655454	0	36	-1.0	-40.51	309.04	4.51	-36.00
C1=CC=C(CCOCCCOCC2=NN=N[N-]2)C=C1	REAL250004655454	1	36	-1.0	-40.52	309.09	4.53	-35.99
CCOC1=CC=CC(CNC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655455	0	37	-1.0	-49.89	322.02	2.58	-47.31
CCOC1=CC=CC(CNC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655455	1	37	-1.0	-49.90	322.08	2.59	-47.31
CC(=O)NC1CCCN(C(=O)COCC2=N[N-]N=N2)C1	REAL250004655456	0	37	-1.0	-63.46	308.37	0.86	-62.60
CC(=O)NC1CCCN(C(=O)COCC2=NN=N[N-]2)C1	REAL250004655456	1	37	-1.0	-63.44	308.43	0.87	-62.57
COC1=CC=CC=C1C1=CN=C(COCC2=N[N-]N=N2)O1	REAL250004655457	0	33	-1.0	-47.80	296.82	0.81	-46.99
COC1=CC=CC=C1C1=CN=C(COCC2=NN=N[N-]2)O1	REAL250004655457	1	33	-1.0	-47.77	296.88	0.82	-46.95
CC1=CC=CC=C1C1=CN=C(COCC2=N[N-]N=N2)O1	REAL250004655458	0	32	-1.0	-44.64	286.11	2.06	-42.58
CC1=CC=CC=C1C1=CN=C(COCC2=NN=N[N-]2)O1	REAL250004655458	1	32	-1.0	-44.66	286.16	2.08	-42.58
CC1CCCCC1N(C)C(=O)COCC1=N[N-]N=N1	REAL250004655459	0	39	-1.0	-50.38	290.67	4.36	-46.02
CC1CCCCC1N(C)C(=O)COCC1=NN=N[N-]1	REAL250004655459	1	39	-1.0	-50.38	290.72	4.38	-46.00
COCC1=CC=CC=C1CNC(=O)COCC1=N[N-]N=N1	REAL250004655460	0	37	-1.0	-48.40	320.39	2.21	-46.19
COCC1=CC=CC=C1CNC(=O)COCC1=NN=N[N-]1	REAL250004655460	1	37	-1.0	-48.37	320.45	2.23	-46.14
FC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)C=C1F	REAL250004655461	0	28	-1.0	-42.12	274.17	1.68	-40.44
FC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)C=C1F	REAL250004655461	1	28	-1.0	-42.10	274.11	1.66	-40.44
COCC1=CC=C(CNC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655462	0	37	-1.0	-49.69	325.73	2.09	-47.60
COCC1=CC=C(CNC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655462	1	37	-1.0	-49.70	325.78	2.10	-47.60
CC1=C(CNC(=O)COCC2=N[N-]N=N2)SC=C1	REAL250004655463	0	30	-1.0	-48.09	280.05	2.00	-46.09
CC1=C(CNC(=O)COCC2=NN=N[N-]2)SC=C1	REAL250004655463	1	30	-1.0	-48.07	280.11	2.02	-46.05
O=C(COCC1=N[N-]N=N1)NCCC1CCCCC1	REAL250004655464	0	39	-1.0	-49.06	312.95	3.29	-45.77
O=C(COCC1=NN=N[N-]1)NCCC1CCCCC1	REAL250004655464	1	39	-1.0	-49.07	313.00	3.30	-45.77
O=C(COCC1=N[N-]N=N1)NCC1CC2=CC=CC=C2O1	REAL250004655465	0	35	-1.0	-50.67	306.27	2.28	-48.39
O=C(COCC1=NN=N[N-]1)NCC1CC2=CC=CC=C2O1	REAL250004655465	1	35	-1.0	-50.70	306.33	2.29	-48.41
C1=C(COCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL250004655466	0	29	-1.0	-42.49	275.61	3.90	-38.59
C1=C(COCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL250004655466	1	29	-1.0	-42.43	275.55	3.89	-38.54
C1=CC2=CC=CC(CCCOCC3=N[N-]N=N3)=C2C=C1	REAL250004655467	0	35	-1.0	-41.65	296.01	6.57	-35.08
C1=CC2=CC=CC(CCCOCC3=NN=N[N-]3)=C2C=C1	REAL250004655467	1	35	-1.0	-41.65	296.07	6.59	-35.06
CC(C)(C#N)C1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655468	0	33	-1.0	-46.99	273.81	4.56	-42.43
CC(C)(C#N)C1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655468	1	33	-1.0	-47.01	273.87	4.58	-42.43
ClC1=CC=CC=C1C1=NN=C(COCC2=N[N-]N=N2)O1	REAL250004655469	0	28	-1.0	-47.29	274.44	-0.62	-47.91
ClC1=CC=CC=C1C1=NN=C(COCC2=NN=N[N-]2)O1	REAL250004655469	1	28	-1.0	-47.30	274.49	-0.61	-47.91
FC(F)(F)C1=CC=C(CCCOCC2=N[N-]N=N2)C=C1	REAL250004655470	0	32	-1.0	-39.82	292.25	5.46	-34.36
FC(F)(F)C1=CC=C(CCCOCC2=NN=N[N-]2)C=C1	REAL250004655470	1	32	-1.0	-39.82	292.30	5.47	-34.35
COC(=O)C1=CC(COCC2=N[N-]N=N2)=C(C)S1	REAL250004655471	0	29	-1.0	-48.64	274.93	3.46	-45.18
COC(=O)C1=CC(COCC2=NN=N[N-]2)=C(C)S1	REAL250004655471	1	29	-1.0	-48.65	274.99	3.49	-45.16
ClC1=CC=C(CCCOCC2=N[N-]N=N2)C=C1	REAL250004655472	0	29	-1.0	-39.28	270.24	4.98	-34.30
ClC1=CC=C(CCCOCC2=NN=N[N-]2)C=C1	REAL250004655472	1	29	-1.0	-39.32	270.30	4.99	-34.33
O=C(NCCCOCC1=N[N-]N=N1)C1CCCC1	REAL250004655473	0	36	-1.0	-41.89	296.24	1.70	-40.19
O=C(NCCCOCC1=NN=N[N-]1)C1CCCC1	REAL250004655473	1	36	-1.0	-41.92	296.30	1.72	-40.20
COC(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1F	REAL250004655474	0	29	-1.0	-43.47	269.88	3.58	-39.89
COC(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1F	REAL250004655474	1	29	-1.0	-43.47	269.94	3.60	-39.87
CCSC(C)C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655475	0	31	-1.0	-43.11	286.30	0.90	-42.21
CCSC(C)C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655475	1	31	-1.0	-43.15	286.36	0.91	-42.24
CN1N=CC(COCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004655476	0	26	-1.0	-39.30	244.88	1.42	-37.88
CN1N=CC(COCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004655476	1	26	-1.0	-39.27	244.83	1.40	-37.87
CC1=C(Br)C=CC=C1COCC1=N[N-]N=N1	REAL250004655477	0	26	-1.0	-38.50	244.78	4.17	-34.33
CC1=C(Br)C=CC=C1COCC1=NN=N[N-]1	REAL250004655477	1	26	-1.0	-38.52	244.84	4.19	-34.33
COC1=CC=C(COCC2=N[N-]N=N2)C=C1Cl	REAL250004655478	0	27	-1.0	-40.98	256.05	2.74	-38.24
COC1=CC=C(COCC2=NN=N[N-]2)C=C1Cl	REAL250004655478	1	27	-1.0	-40.96	256.11	2.76	-38.20
FC1=CC=C(OCCOCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655479	0	27	-1.0	-43.67	262.88	3.28	-40.39
FC1=CC=C(OCCOCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655479	1	27	-1.0	-43.65	262.93	3.29	-40.36
CC(C)(C)OC1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655480	0	35	-1.0	-38.80	289.49	3.26	-35.54
CC(C)(C)OC1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655480	1	35	-1.0	-38.79	289.55	3.27	-35.52
CN(C)S(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655481	0	34	-1.0	-45.46	306.09	0.90	-44.56
CN(C)S(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655481	1	34	-1.0	-45.46	306.14	0.91	-44.55
BrC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655482	0	27	-1.0	-45.24	260.86	3.33	-41.91
BrC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655482	1	27	-1.0	-45.25	260.92	3.34	-41.91
CC1=C(Br)C=CC=C1COCC1=N[N-]N=N1	REAL250004655483	0	26	-1.0	-38.50	244.78	4.17	-34.33
CC1=C(Br)C=CC=C1COCC1=NN=N[N-]1	REAL250004655483	1	26	-1.0	-38.52	244.84	4.19	-34.33
CCC(CC)N1C=CC(COCC2=N[N-]N=N2)=N1	REAL250004655484	0	35	-1.0	-42.38	291.56	3.57	-38.81
CCC(CC)N1C=CC(COCC2=NN=N[N-]2)=N1	REAL250004655484	1	35	-1.0	-42.39	291.62	3.59	-38.80
C(OCC1=NOC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL250004655485	0	34	-1.0	-42.81	286.02	1.68	-41.13
C(OCC1=NN=N[N-]1)C1=NOC(C2CCCCC2)=N1	REAL250004655485	1	34	-1.0	-42.82	286.08	1.70	-41.12
CC(C)(C)OC(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655486	0	38	-1.0	-41.33	320.21	5.61	-35.72
CC(C)(C)OC(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655486	1	38	-1.0	-41.32	320.27	5.62	-35.70
C1=C(C2=CC=CC=C2)SC(COCC2=N[N-]N=N2)=N1	REAL250004655487	0	29	-1.0	-43.04	273.31	3.69	-39.35
C1=C(C2=CC=CC=C2)SC(COCC2=NN=N[N-]2)=N1	REAL250004655487	1	29	-1.0	-43.05	273.37	3.71	-39.34
COC(=O)C1(NC(=O)COCC2=N[N-]N=N2)CCCCC1	REAL250004655488	0	39	-1.0	-49.80	313.61	3.33	-46.47
COC(=O)C1(NC(=O)COCC2=NN=N[N-]2)CCCCC1	REAL250004655488	1	39	-1.0	-49.81	313.67	3.35	-46.46
FC1=CC=CC(F)=C1C1=NC(COCC2=NN=N[N-]2)=CO1	REAL250004655489	0	29	-1.0	-45.60	275.19	1.85	-43.75
FC1=CC=CC(F)=C1C1=NC(COCC2=N[N-]N=N2)=CO1	REAL250004655489	1	29	-1.0	-45.61	275.14	1.84	-43.77
O=C(COCC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004655490	0	36	-1.0	-50.71	294.28	1.39	-49.32
O=C(COCC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004655490	1	36	-1.0	-50.70	294.34	1.40	-49.30
CC(C)(C)NC(=O)CNC(=O)COCC1=N[N-]N=N1	REAL250004655491	0	36	-1.0	-48.74	303.55	-0.86	-49.60
CC(C)(C)NC(=O)CNC(=O)COCC1=NN=N[N-]1	REAL250004655491	1	36	-1.0	-48.77	303.61	-0.85	-49.62
C(OCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL250004655492	0	31	-1.0	-42.22	267.69	0.86	-41.36
C(OCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL250004655492	1	31	-1.0	-42.25	267.75	0.88	-41.37
FC(F)(F)C1=CSC(COCC2=N[N-]N=N2)=N1	REAL250004655493	0	22	-1.0	-41.87	236.26	1.05	-40.82
FC(F)(F)C1=CSC(COCC2=NN=N[N-]2)=N1	REAL250004655493	1	22	-1.0	-41.89	236.31	1.07	-40.82
CN(CC1=CC=CC=C1)C(=O)COCC1=N[N-]N=N1	REAL250004655494	0	33	-1.0	-52.14	287.85	4.47	-47.67
CN(CC1=CC=CC=C1)C(=O)COCC1=NN=N[N-]1	REAL250004655494	1	33	-1.0	-52.18	287.91	4.48	-47.70
FC1=CC=CC(F)=C1N1C=CC(COCC2=N[N-]N=N2)=N1	REAL250004655495	0	30	-1.0	-46.90	276.20	4.22	-42.68
FC1=CC=CC(F)=C1N1C=CC(COCC2=NN=N[N-]2)=N1	REAL250004655495	1	30	-1.0	-46.89	276.25	4.23	-42.66
COC1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655496	0	31	-1.0	-46.45	269.93	1.96	-44.49
COC1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655496	1	31	-1.0	-46.49	269.99	1.97	-44.52
CC(C)(C)OC(=O)CNC(=O)COCC1=N[N-]N=N1	REAL250004655497	0	35	-1.0	-47.18	299.00	1.49	-45.69
CC(C)(C)OC(=O)CNC(=O)COCC1=NN=N[N-]1	REAL250004655497	1	35	-1.0	-47.20	299.06	1.51	-45.69
BrC1=CC=CC=C1CCCOCC1=N[N-]N=N1	REAL250004655498	0	29	-1.0	-40.61	269.71	4.90	-35.71
BrC1=CC=CC=C1CCCOCC1=NN=N[N-]1	REAL250004655498	1	29	-1.0	-40.66	269.76	4.91	-35.75
C1=CC=C(N2N=C(COCC3=N[N-]N=N3)C3=C2CCC3)C=C1	REAL250004655499	0	37	-1.0	-49.89	314.94	5.73	-44.16
C1=CC=C(N2N=C(COCC3=NN=N[N-]3)C3=C2CCC3)C=C1	REAL250004655499	1	37	-1.0	-49.90	315.00	5.75	-44.15
N#CC1=CC=C(COCC2=N[N-]N=N2)C(Br)=C1	REAL250004655500	0	24	-1.0	-37.28	248.57	4.03	-33.25
N#CC1=CC=C(COCC2=NN=N[N-]2)C(Br)=C1	REAL250004655500	1	24	-1.0	-37.30	248.63	4.05	-33.25
CC1=CC(Br)=CC=C1COCC1=N[N-]N=N1	REAL250004655501	0	26	-1.0	-39.43	247.99	4.27	-35.16
CC1=CC(Br)=CC=C1COCC1=NN=N[N-]1	REAL250004655501	1	26	-1.0	-39.43	248.05	4.28	-35.15
COCCS(=O)(=O)CCCOCC1=N[N-]N=N1	REAL250004655502	0	32	-1.0	-50.29	290.88	-1.85	-52.14
COCCS(=O)(=O)CCCOCC1=NN=N[N-]1	REAL250004655502	1	32	-1.0	-50.31	290.94	-1.82	-52.13
C1=NC(COCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004655503	0	29	-1.0	-49.07	264.40	4.55	-44.52
C1=NC(COCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004655503	1	29	-1.0	-49.03	264.46	4.56	-44.47
CC1=CC=C(S(=O)(=O)CCCOCC2=N[N-]N=N2)C=C1	REAL250004655504	0	35	-1.0	-48.32	314.18	2.13	-46.19
CC1=CC=C(S(=O)(=O)CCCOCC2=NN=N[N-]2)C=C1	REAL250004655504	1	35	-1.0	-48.34	314.24	2.14	-46.20
CC1(C)NC(=O)N(CCCOCC2=N[N-]N=N2)C1=O	REAL250004655505	0	34	-1.0	-46.35	295.44	-0.02	-46.37
CC1(C)NC(=O)N(CCCOCC2=NN=N[N-]2)C1=O	REAL250004655505	1	34	-1.0	-46.36	295.49	-0.01	-46.37
CC1=CC=CC(Cl)=C1NC(=O)COCC1=N[N-]N=N1	REAL250004655506	0	30	-1.0	-50.51	284.41	3.84	-46.67
CC1=CC=CC(Cl)=C1NC(=O)COCC1=NN=N[N-]1	REAL250004655506	1	30	-1.0	-50.48	284.47	3.85	-46.63
COC(=O)C1=CC=C(COCC2=N[N-]N=N2)C(F)=C1	REAL250004655507	0	29	-1.0	-38.35	269.01	3.78	-34.57
COC(=O)C1=CC=C(COCC2=NN=N[N-]2)C(F)=C1	REAL250004655507	1	29	-1.0	-38.37	269.07	3.80	-34.57
ClC1=CN=C(COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655508	0	22	-1.0	-39.44	236.37	1.99	-37.45
ClC1=CN=C(COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655508	1	22	-1.0	-39.43	236.43	2.00	-37.43
COC1=CC=C(COCC2=N[N-]N=N2)C=C1Cl	REAL250004655509	0	27	-1.0	-40.98	256.05	2.74	-38.24
COC1=CC=C(COCC2=NN=N[N-]2)C=C1Cl	REAL250004655509	1	27	-1.0	-40.96	256.11	2.76	-38.20
FC1=CC=CC(Cl)=C1CCOCC1=N[N-]N=N1	REAL250004655510	0	26	-1.0	-41.36	251.37	4.12	-37.24
FC1=CC=CC(Cl)=C1CCOCC1=NN=N[N-]1	REAL250004655510	1	26	-1.0	-41.36	251.43	4.14	-37.22
C1=CC=C(CSCCCOCC2=N[N-]N=N2)C=C1	REAL250004655511	0	33	-1.0	-41.11	298.21	5.80	-35.31
C1=CC=C(CSCCCOCC2=NN=N[N-]2)C=C1	REAL250004655511	1	33	-1.0	-41.09	298.27	5.82	-35.27
COC(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1C#N	REAL250004655512	0	30	-1.0	-42.64	279.26	3.79	-38.85
COC(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1C#N	REAL250004655512	1	30	-1.0	-42.63	279.32	3.80	-38.83
CC1=CC=CC(S(=O)(=O)CCCOCC2=N[N-]N=N2)=C1	REAL250004655513	0	35	-1.0	-48.36	314.18	2.12	-46.24
CC1=CC=CC(S(=O)(=O)CCCOCC2=NN=N[N-]2)=C1	REAL250004655513	1	35	-1.0	-48.38	314.24	2.13	-46.25
CC1=C(C2=NOC(COCC3=N[N-]N=N3)=C2)C=NN1C	REAL250004655514	0	32	-1.0	-45.45	286.88	2.49	-42.96
CC1=C(C2=NOC(COCC3=NN=N[N-]3)=C2)C=NN1C	REAL250004655514	1	32	-1.0	-45.47	286.94	2.51	-42.96
COC1=CC(COCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004655515	0	29	-1.0	-35.74	267.12	2.97	-32.77
COC1=CC(COCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004655515	1	29	-1.0	-35.74	267.18	2.98	-32.76
C1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)S2)C=C1	REAL250004655516	0	28	-1.0	-45.33	270.29	2.71	-42.62
C1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)S2)C=C1	REAL250004655516	1	28	-1.0	-45.34	270.35	2.73	-42.61
ClC1=CC=C(N2C=CC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655517	0	30	-1.0	-41.41	285.15	4.60	-36.81
ClC1=CC=C(N2C=CC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655517	1	30	-1.0	-41.40	285.21	4.62	-36.78
ClC1=CC=C(Cl)C(COCC2=N[N-]N=N2)=N1	REAL250004655518	0	22	-1.0	-41.79	236.49	1.92	-39.87
ClC1=CC=C(Cl)C(COCC2=NN=N[N-]2)=N1	REAL250004655518	1	22	-1.0	-41.75	236.54	1.93	-39.82
O=S(=O)(CCCOCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655519	0	32	-1.0	-48.46	292.77	1.45	-47.01
O=S(=O)(CCCOCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655519	1	32	-1.0	-48.47	292.83	1.46	-47.01
CC1=CC=C(SCCOCC2=N[N-]N=N2)C=C1C	REAL250004655520	0	33	-1.0	-39.24	289.21	5.32	-33.92
CC1=CC=C(SCCOCC2=NN=N[N-]2)C=C1C	REAL250004655520	1	33	-1.0	-39.23	289.26	5.33	-33.90
FC(F)(F)SC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655521	0	27	-1.0	-38.55	266.92	4.35	-34.20
FC(F)(F)SC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655521	1	27	-1.0	-38.57	266.98	4.36	-34.21
ClC1=CC=C(Cl)C(COCC2=N[N-]N=N2)=C1	REAL250004655522	0	23	-1.0	-39.25	240.41	4.06	-35.19
ClC1=CC=C(Cl)C(COCC2=NN=N[N-]2)=C1	REAL250004655522	1	23	-1.0	-39.24	240.47	4.08	-35.16
CC1=NC(C(F)(F)F)=C(COCC2=N[N-]N=N2)S1	REAL250004655523	0	25	-1.0	-42.22	254.52	1.79	-40.43
CC1=NC(C(F)(F)F)=C(COCC2=NN=N[N-]2)S1	REAL250004655523	1	25	-1.0	-42.20	254.58	1.81	-40.39
CN1N=C(C(F)(F)F)C(COCC2=NN=N[N-]2)=C1Cl	REAL250004655524	0	26	-1.0	-41.44	265.32	1.87	-39.57
CN1N=C(C(F)(F)F)C(COCC2=N[N-]N=N2)=C1Cl	REAL250004655524	1	26	-1.0	-41.41	265.26	1.85	-39.56
ClC1=CC=CC=C1CCCOCC1=N[N-]N=N1	REAL250004655525	0	29	-1.0	-40.75	266.18	4.82	-35.93
ClC1=CC=CC=C1CCCOCC1=NN=N[N-]1	REAL250004655525	1	29	-1.0	-40.74	266.26	4.84	-35.90
CC(C)(C)C1CCC(COCC2=N[N-]N=N2)CC1	REAL250004655526	0	41	-1.0	-38.69	295.62	5.03	-33.66
CC(C)(C)C1CCC(COCC2=NN=N[N-]2)CC1	REAL250004655526	1	41	-1.0	-38.69	295.68	5.04	-33.65
O=[N+]([O-])C1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655527	0	29	-1.0	-55.45	266.46	4.06	-51.39
O=[N+]([O-])C1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655527	1	29	-1.0	-55.44	266.52	4.07	-51.37
O=[N+]([O-])C1=CC=CC(OCCOCC2=N[N-]N=N2)=C1	REAL250004655528	0	29	-1.0	-48.23	268.65	3.33	-44.90
O=[N+]([O-])C1=CC=CC(OCCOCC2=NN=N[N-]2)=C1	REAL250004655528	1	29	-1.0	-48.22	268.71	3.34	-44.88
COC1=CC=C(OCCOCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004655529	0	33	-1.0	-54.66	295.94	3.35	-51.31
COC1=CC=C(OCCOCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004655529	1	33	-1.0	-54.67	296.00	3.37	-51.30
CC(=O)C1=CC=CC(NC(=O)COCC2=N[N-]N=N2)=C1	REAL250004655530	0	32	-1.0	-62.98	285.09	2.54	-60.44
CC(=O)C1=CC=CC(NC(=O)COCC2=NN=N[N-]2)=C1	REAL250004655530	1	32	-1.0	-63.00	285.15	2.55	-60.45
ClC1=CC=C(Cl)C(OCCOCC2=N[N-]N=N2)=C1	REAL250004655531	0	27	-1.0	-42.96	273.20	3.74	-39.22
ClC1=CC=C(Cl)C(OCCOCC2=NN=N[N-]2)=C1	REAL250004655531	1	27	-1.0	-42.95	273.26	3.75	-39.20
O=[N+]([O-])C1=CC=C(OCCOCC2=N[N-]N=N2)C=C1	REAL250004655532	0	29	-1.0	-43.09	268.64	3.33	-39.76
O=[N+]([O-])C1=CC=C(OCCOCC2=NN=N[N-]2)C=C1	REAL250004655532	1	29	-1.0	-43.15	268.70	3.34	-39.81
CC(=O)C1=CC=C(NC(=O)COCC2=N[N-]N=N2)C=C1	REAL250004655533	0	32	-1.0	-57.80	287.42	2.65	-55.15
CC(=O)C1=CC=C(NC(=O)COCC2=NN=N[N-]2)C=C1	REAL250004655533	1	32	-1.0	-57.84	287.48	2.66	-55.18
N#CC1=CC=C(Br)C(COCC2=N[N-]N=N2)=C1	REAL250004655534	0	24	-1.0	-41.97	248.59	4.03	-37.94
N#CC1=CC=C(Br)C(COCC2=NN=N[N-]2)=C1	REAL250004655534	1	24	-1.0	-41.98	248.64	4.05	-37.93
FC(F)(F)CN1N=NN=C1COCC1=N[N-]N=N1	REAL250004655535	0	24	-1.0	-42.41	238.97	0.13	-42.28
FC(F)(F)CN1N=NN=C1COCC1=NN=N[N-]1	REAL250004655535	1	24	-1.0	-42.40	239.03	0.15	-42.25
FC(F)C(F)(F)COCCOCC1=N[N-]N=N1	REAL250004655536	0	26	-1.0	-42.76	251.47	1.42	-41.34
FC(F)C(F)(F)COCCOCC1=NN=N[N-]1	REAL250004655536	1	26	-1.0	-42.75	251.53	1.43	-41.32
FC(F)(F)C(F)(F)COCCOCC1=N[N-]N=N1	REAL250004655537	0	26	-1.0	-43.16	255.98	1.65	-41.51
FC(F)(F)C(F)(F)COCCOCC1=NN=N[N-]1	REAL250004655537	1	26	-1.0	-43.14	256.04	1.67	-41.47
ClC1=CC=C(C=CCOCC2=N[N-]N=N2)C=C1	REAL250004655538	0	27	-1.0	-39.31	258.38	4.69	-34.62
ClC1=CC=C(C=CCOCC2=NN=N[N-]2)C=C1	REAL250004655538	1	27	-1.0	-39.32	258.44	4.70	-34.62
C1=CC2=CC=C(CCOCC3=N[N-]N=N3)C=C2C=C1	REAL250004655539	0	32	-1.0	-40.04	278.13	5.93	-34.11
C1=CC2=CC=C(CCOCC3=NN=N[N-]3)C=C2C=C1	REAL250004655539	1	32	-1.0	-40.04	278.19	5.95	-34.09
C1=CC=C(C2CCC(COCC3=N[N-]N=N3)CC2)C=C1	REAL250004655540	0	39	-1.0	-39.89	311.08	6.69	-33.20
C1=CC=C(C2CCC(COCC3=NN=N[N-]3)CC2)C=C1	REAL250004655540	1	39	-1.0	-39.90	311.14	6.70	-33.20
FC1=CC=CC=C1C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655541	0	28	-1.0	-47.18	266.00	1.70	-45.48
FC1=CC=CC=C1C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655541	1	28	-1.0	-47.13	265.94	1.69	-45.44
FC(F)(F)C1=NC(Cl)=CC=C1COCC1=NN=N[N-]1	REAL250004655542	0	25	-1.0	-35.79	254.64	2.64	-33.15
FC(F)(F)C1=NC(Cl)=CC=C1COCC1=N[N-]N=N1	REAL250004655542	1	25	-1.0	-35.81	254.58	2.62	-33.19
FC(F)(F)C1CCC(COCC2=N[N-]N=N2)CC1	REAL250004655543	0	32	-1.0	-39.43	264.20	3.96	-35.47
FC(F)(F)C1CCC(COCC2=NN=N[N-]2)CC1	REAL250004655543	1	32	-1.0	-39.47	264.24	3.97	-35.50
CN(C)S(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655544	0	34	-1.0	-45.46	306.09	0.90	-44.56
CN(C)S(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655544	1	34	-1.0	-45.46	306.14	0.91	-44.55
FC1=CC=CC=C1N1C=CC(COCC2=N[N-]N=N2)=N1	REAL250004655545	0	30	-1.0	-46.91	272.82	4.24	-42.67
FC1=CC=CC=C1N1C=CC(COCC2=NN=N[N-]2)=N1	REAL250004655545	1	30	-1.0	-46.92	272.88	4.25	-42.67
O=[N+]([O-])C1=CC=CC(Cl)=C1COCC1=N[N-]N=N1	REAL250004655546	0	25	-1.0	-47.07	246.31	4.39	-42.68
O=[N+]([O-])C1=CC=CC(Cl)=C1COCC1=NN=N[N-]1	REAL250004655546	1	25	-1.0	-47.08	246.37	4.41	-42.67
CC(C)OC1=CC=C(COCC2=N[N-]N=N2)C=C1Cl	REAL250004655547	0	33	-1.0	-40.84	295.83	4.29	-36.55
CC(C)OC1=CC=C(COCC2=NN=N[N-]2)C=C1Cl	REAL250004655547	1	33	-1.0	-40.83	295.89	4.31	-36.52
CCN(CCCOCC1=N[N-]N=N1)CC(F)(F)F	REAL250004655548	0	33	-1.0	-40.33	276.58	1.31	-39.02
CCN(CCCOCC1=NN=N[N-]1)CC(F)(F)F	REAL250004655548	1	33	-1.0	-40.34	276.64	1.33	-39.01
ClC1=CC=C(OCC2CC2)C(COCC2=N[N-]N=N2)=C1	REAL250004655549	0	34	-1.0	-41.72	307.44	5.44	-36.28
ClC1=CC=C(OCC2CC2)C(COCC2=NN=N[N-]2)=C1	REAL250004655549	1	34	-1.0	-41.75	307.50	5.45	-36.30
COC(COCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004655550	0	30	-1.0	-37.78	277.14	3.63	-34.15
COC(COCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004655550	1	30	-1.0	-37.78	277.20	3.65	-34.13
CC(C)(C)OC(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655551	0	38	-1.0	-44.06	320.22	5.60	-38.46
CC(C)(C)OC(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655551	1	38	-1.0	-44.06	320.28	5.61	-38.45
N#CC1(CCCOCC2=N[N-]N=N2)CCOCC1	REAL250004655552	0	34	-1.0	-45.53	279.40	1.96	-43.57
N#CC1(CCCOCC2=NN=N[N-]2)CCOCC1	REAL250004655552	1	34	-1.0	-45.55	279.46	1.99	-43.56
ClC1=CC=CC(COCC2=N[N-]N=N2)=C1Cl	REAL250004655553	0	23	-1.0	-36.96	238.86	4.02	-32.94
ClC1=CC=CC(COCC2=NN=N[N-]2)=C1Cl	REAL250004655553	1	23	-1.0	-36.99	238.92	4.03	-32.96
ClC1=CC=CC(CCOCC2=N[N-]N=N2)=C1Cl	REAL250004655554	0	26	-1.0	-40.15	260.95	4.55	-35.60
ClC1=CC=CC(CCOCC2=NN=N[N-]2)=C1Cl	REAL250004655554	1	26	-1.0	-40.14	261.01	4.56	-35.58
C1=NN=C(COCC2=N[N-]N=N2)N1C1=CC=CC=C1	REAL250004655555	0	29	-1.0	-46.59	261.98	5.19	-41.40
C1=NN=C(COCC2=NN=N[N-]2)N1C1=CC=CC=C1	REAL250004655555	1	29	-1.0	-46.59	262.04	5.21	-41.38
BrC1=CN=C(COCC2=N[N-]N=N2)S1	REAL250004655556	0	19	-1.0	-39.45	217.01	0.74	-38.71
BrC1=CN=C(COCC2=NN=N[N-]2)S1	REAL250004655556	1	19	-1.0	-39.43	217.06	0.75	-38.68
FC1=CC=CC(CC2=NOC(COCC3=N[N-]N=N3)=N2)=C1	REAL250004655557	0	31	-1.0	-42.85	289.90	2.18	-40.67
FC1=CC=CC(CC2=NOC(COCC3=NN=N[N-]3)=N2)=C1	REAL250004655557	1	31	-1.0	-42.83	289.96	2.19	-40.64
C1=CC=C(COC2=CN=CC(COCC3=NN=N[N-]3)=C2)C=C1	REAL250004655558	0	36	-1.0	-42.63	316.78	4.37	-38.26
C1=CC=C(COC2=CN=CC(COCC3=N[N-]N=N3)=C2)C=C1	REAL250004655558	1	36	-1.0	-42.62	316.72	4.35	-38.27
C1=C(C2CCCCC2)N=C(COCC2=N[N-]N=N2)S1	REAL250004655559	0	35	-1.0	-41.94	298.14	3.76	-38.18
C1=C(C2CCCCC2)N=C(COCC2=NN=N[N-]2)S1	REAL250004655559	1	35	-1.0	-41.97	298.20	3.77	-38.20
C1=CC(C2=CC=C(COCC3=N[N-]N=N3)C=C2)=CS1	REAL250004655560	0	30	-1.0	-40.62	276.09	5.32	-35.30
C1=CC(C2=CC=C(COCC3=NN=N[N-]3)C=C2)=CS1	REAL250004655560	1	30	-1.0	-40.61	276.15	5.33	-35.28
FC(F)(F)C1=CC=C(COCC2=N[N-]N=N2)N=C1	REAL250004655561	0	25	-1.0	-36.93	242.44	2.24	-34.69
FC(F)(F)C1=CC=C(COCC2=NN=N[N-]2)N=C1	REAL250004655561	1	25	-1.0	-36.92	242.49	2.26	-34.66
FC(F)(F)CN1N=NC(COCC2=N[N-]N=N2)=N1	REAL250004655562	0	24	-1.0	-44.35	243.44	-0.06	-44.41
FC(F)(F)CN1N=NC(COCC2=NN=N[N-]2)=N1	REAL250004655562	1	24	-1.0	-44.39	243.50	-0.04	-44.43
ClC1=CC(Cl)=CC(CCOCC2=N[N-]N=N2)=C1	REAL250004655563	0	26	-1.0	-36.91	265.48	4.69	-32.22
ClC1=CC(Cl)=CC(CCOCC2=NN=N[N-]2)=C1	REAL250004655563	1	26	-1.0	-36.93	265.54	4.70	-32.23
COC1=CC([N+](=O)[O-])=CC=C1COCC1=N[N-]N=N1	REAL250004655564	0	29	-1.0	-39.09	265.40	3.09	-36.00
COC1=CC([N+](=O)[O-])=CC=C1COCC1=NN=N[N-]1	REAL250004655564	1	29	-1.0	-39.09	265.46	3.10	-35.99
C1=C(C2=CC=CC=C2)N=C(COCC2=NN=N[N-]2)S1	REAL250004655565	0	29	-1.0	-44.36	273.68	3.65	-40.71
C1=C(C2=CC=CC=C2)N=C(COCC2=N[N-]N=N2)S1	REAL250004655565	1	29	-1.0	-44.39	273.62	3.63	-40.76
COC1=CC(Cl)=CC=C1COCC1=N[N-]N=N1	REAL250004655566	0	27	-1.0	-39.05	253.92	2.94	-36.11
COC1=CC(Cl)=CC=C1COCC1=NN=N[N-]1	REAL250004655566	1	27	-1.0	-39.09	253.98	2.95	-36.14
CC1=NC(COCC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004655567	0	30	-1.0	-50.20	265.23	2.80	-47.40
CC1=NC(COCC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004655567	1	30	-1.0	-50.19	265.29	2.82	-47.37
C(OCC1=NN=NN1CC1CCOCC1)C1=N[N-]N=N1	REAL250004655568	0	35	-1.0	-44.13	295.17	0.78	-43.35
C(OCC1=NN=NN1CC1CCOCC1)C1=NN=N[N-]1	REAL250004655568	1	35	-1.0	-44.16	295.23	0.80	-43.36
C(OCC1CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL250004655569	0	35	-1.0	-40.68	279.32	2.11	-38.57
C(OCC1CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL250004655569	1	35	-1.0	-40.67	279.38	2.12	-38.55
ClC1=CC=CC(COCC2=N[N-]N=N2)=C1Cl	REAL250004655570	0	23	-1.0	-36.96	238.86	4.02	-32.94
ClC1=CC=CC(COCC2=NN=N[N-]2)=C1Cl	REAL250004655570	1	23	-1.0	-36.99	238.92	4.03	-32.96
C1=CC=C(CSCCOCC2=N[N-]N=N2)C=C1	REAL250004655571	0	30	-1.0	-38.64	276.71	5.01	-33.63
C1=CC=C(CSCCOCC2=NN=N[N-]2)C=C1	REAL250004655571	1	30	-1.0	-38.65	276.77	5.02	-33.63
ClC1=CC=C(COCC2=NN=N[N-]2)C(N2C=NC=N2)=C1	REAL250004655572	0	29	-1.0	-42.29	272.95	6.38	-35.91
ClC1=CC=C(COCC2=N[N-]N=N2)C(N2C=NC=N2)=C1	REAL250004655572	1	29	-1.0	-42.30	272.89	6.37	-35.93
CC(CCOCC1=N[N-]N=N1)OCC1=CC=CC=C1	REAL250004655573	0	36	-1.0	-40.92	307.08	4.50	-36.42
CC(CCOCC1=NN=N[N-]1)OCC1=CC=CC=C1	REAL250004655573	1	36	-1.0	-40.93	307.13	4.52	-36.41
C1=CN(C2=CC=CC=C2)C(COCC2=N[N-]N=N2)=N1	REAL250004655574	0	30	-1.0	-45.58	266.91	4.74	-40.84
C1=CN(C2=CC=CC=C2)C(COCC2=NN=N[N-]2)=N1	REAL250004655574	1	30	-1.0	-45.57	266.97	4.75	-40.82
FC1=CC(OCCOCC2=N[N-]N=N2)=CC=C1Cl	REAL250004655575	0	27	-1.0	-40.84	263.03	3.23	-37.61
FC1=CC(OCCOCC2=NN=N[N-]2)=CC=C1Cl	REAL250004655575	1	27	-1.0	-40.84	263.09	3.24	-37.60
COC1=CC=C(Cl)C(COCC2=N[N-]N=N2)=C1	REAL250004655576	0	27	-1.0	-42.67	253.17	2.85	-39.82
COC1=CC=C(Cl)C(COCC2=NN=N[N-]2)=C1	REAL250004655576	1	27	-1.0	-42.65	253.23	2.87	-39.78
C1=CSC(C2=CC=C(COCC3=N[N-]N=N3)C=C2)=C1	REAL250004655577	0	30	-1.0	-40.84	277.89	5.51	-35.33
C1=CSC(C2=CC=C(COCC3=NN=N[N-]3)C=C2)=C1	REAL250004655577	1	30	-1.0	-40.84	277.95	5.53	-35.31
CCS(=O)(=O)CCCCCOCC1=N[N-]N=N1	REAL250004655578	0	34	-1.0	-50.37	300.20	0.65	-49.72
CCS(=O)(=O)CCCCCOCC1=NN=N[N-]1	REAL250004655578	1	34	-1.0	-50.34	300.26	0.67	-49.67
CCOC1=CC(COCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004655579	0	32	-1.0	-42.37	287.90	4.55	-37.82
CCOC1=CC(COCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004655579	1	32	-1.0	-42.38	287.96	4.56	-37.82
FC1=CC=C(N2C=CC(COCC3=N[N-]N=N3)=N2)C(F)=C1	REAL250004655580	0	30	-1.0	-40.99	278.21	4.14	-36.85
FC1=CC=C(N2C=CC(COCC3=NN=N[N-]3)=N2)C(F)=C1	REAL250004655580	1	30	-1.0	-40.97	278.27	4.16	-36.81
CS(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655581	0	29	-1.0	-49.08	271.22	0.42	-48.66
CS(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655581	1	29	-1.0	-49.06	271.27	0.43	-48.63
COC1=CC=C(Br)C(COCC2=N[N-]N=N2)=C1	REAL250004655582	0	27	-1.0	-42.59	257.26	2.95	-39.64
COC1=CC=C(Br)C(COCC2=NN=N[N-]2)=C1	REAL250004655582	1	27	-1.0	-42.59	257.32	2.97	-39.62
FC(F)(F)C1=CC=C(COCC2=N[N-]N=N2)N=C1	REAL250004655583	0	25	-1.0	-36.93	242.44	2.24	-34.69
FC(F)(F)C1=CC=C(COCC2=NN=N[N-]2)N=C1	REAL250004655583	1	25	-1.0	-36.92	242.49	2.26	-34.66
FC1(F)OC2=CC=C(COCC3=N[N-]N=N3)C=C2O1	REAL250004655584	0	26	-1.0	-39.79	250.13	2.00	-37.79
FC1(F)OC2=CC=C(COCC3=NN=N[N-]3)C=C2O1	REAL250004655584	1	26	-1.0	-39.81	250.19	2.01	-37.80
CC1=CC=C(C2=CSC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655585	0	32	-1.0	-44.45	295.08	4.32	-40.13
CC1=CC=C(C2=CSC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655585	1	32	-1.0	-44.44	295.02	4.31	-40.13
COC(=O)C1=CC=CC(Cl)=C1COCC1=N[N-]N=N1	REAL250004655586	0	29	-1.0	-46.88	272.98	4.39	-42.49
COC(=O)C1=CC=CC(Cl)=C1COCC1=NN=N[N-]1	REAL250004655586	1	29	-1.0	-46.83	273.04	4.41	-42.42
CCC(C)(C)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655587	0	38	-1.0	-39.80	300.94	5.69	-34.11
CCC(C)(C)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655587	1	38	-1.0	-39.79	301.00	5.70	-34.09
FC(F)(F)C1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655588	0	26	-1.0	-38.86	241.20	3.91	-34.95
FC(F)(F)C1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655588	1	26	-1.0	-38.87	241.26	3.92	-34.95
O=[N+]([O-])C1=CC=C(COCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004655589	0	27	-1.0	-35.79	259.66	4.27	-31.52
O=[N+]([O-])C1=CC=C(COCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004655589	1	27	-1.0	-35.81	259.72	4.28	-31.53
CC(C)(C)OC(=O)N1CCC(COCC2=N[N-]N=N2)CC1	REAL250004655590	0	43	-1.0	-40.73	336.55	3.92	-36.81
CC(C)(C)OC(=O)N1CCC(COCC2=NN=N[N-]2)CC1	REAL250004655590	1	43	-1.0	-40.70	336.61	3.94	-36.76
FC1=C(F)C(F)=C(COCC2=N[N-]N=N2)C(F)=C1F	REAL250004655591	0	23	-1.0	-37.02	239.89	3.16	-33.86
FC1=C(F)C(F)=C(COCC2=NN=N[N-]2)C(F)=C1F	REAL250004655591	1	23	-1.0	-37.01	239.94	3.17	-33.84
CC1=CC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655592	0	26	-1.0	-42.26	247.99	4.27	-37.99
CC1=CC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655592	1	26	-1.0	-42.28	248.05	4.28	-38.00
COC(=O)C1=CSC(COCC2=N[N-]N=N2)=N1	REAL250004655593	0	25	-1.0	-44.03	251.49	0.54	-43.49
COC(=O)C1=CSC(COCC2=NN=N[N-]2)=N1	REAL250004655593	1	25	-1.0	-44.03	251.55	0.56	-43.47
ClC1=CC=C(COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655594	0	23	-1.0	-36.31	240.41	4.06	-32.25
ClC1=CC=C(COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655594	1	23	-1.0	-36.29	240.47	4.08	-32.21
COC1=CC(COCC2=N[N-]N=N2)=CC=C1Cl	REAL250004655595	0	27	-1.0	-39.88	256.05	2.74	-37.14
COC1=CC(COCC2=NN=N[N-]2)=CC=C1Cl	REAL250004655595	1	27	-1.0	-39.90	256.11	2.76	-37.14
CC1(C)CC2=CC=CC(COCC3=N[N-]N=N3)=C2O1	REAL250004655596	0	34	-1.0	-42.28	285.71	4.29	-37.99
CC1(C)CC2=CC=CC(COCC3=NN=N[N-]3)=C2O1	REAL250004655596	1	34	-1.0	-42.27	285.77	4.31	-37.96
COC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=N2)N=N1	REAL250004655597	0	30	-1.0	-47.18	284.05	-3.17	-50.35
COC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=N2)N=N1	REAL250004655597	1	30	-1.0	-47.19	284.10	-3.16	-50.35
CC(C1=CC=C(COCC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004655598	0	32	-1.0	-39.85	285.55	5.08	-34.77
CC(C1=CC=C(COCC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004655598	1	32	-1.0	-39.84	285.61	5.10	-34.74
CS(=O)(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655599	0	29	-1.0	-50.62	271.21	0.41	-50.21
CS(=O)(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655599	1	29	-1.0	-50.56	271.27	0.42	-50.14
CC1=CC=NC(C2=NOC(COCC3=N[N-]N=N3)=N2)=C1	REAL250004655600	0	30	-1.0	-48.14	278.26	0.32	-47.82
CC1=CC=NC(C2=NOC(COCC3=NN=N[N-]3)=N2)=C1	REAL250004655600	1	30	-1.0	-48.15	278.32	0.34	-47.81
CN(C)S(=O)(=O)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655601	0	34	-1.0	-47.49	306.02	0.89	-46.60
CN(C)S(=O)(=O)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655601	1	34	-1.0	-47.49	306.07	0.90	-46.59
C1=CN(CCC2=CC=CC=C2)N=C1COCC1=N[N-]N=N1	REAL250004655602	0	36	-1.0	-42.83	315.35	5.32	-37.51
C1=CN(CCC2=CC=CC=C2)N=C1COCC1=NN=N[N-]1	REAL250004655602	1	36	-1.0	-42.85	315.41	5.34	-37.51
COC(=O)CN1C=C(COCC2=N[N-]N=N2)N=N1	REAL250004655603	0	28	-1.0	-45.17	261.17	0.43	-44.74
COC(=O)CN1C=C(COCC2=NN=N[N-]2)N=N1	REAL250004655603	1	28	-1.0	-45.17	261.23	0.44	-44.73
O=[N+]([O-])C1=CC=C(COCC2=N[N-]N=N2)C=C1F	REAL250004655604	0	25	-1.0	-41.55	243.26	3.59	-37.96
O=[N+]([O-])C1=CC=C(COCC2=NN=N[N-]2)C=C1F	REAL250004655604	1	25	-1.0	-41.56	243.32	3.60	-37.96
C1=CC=C(CSCCOCC2=N[N-]N=N2)C=C1	REAL250004655605	0	30	-1.0	-38.64	276.71	5.01	-33.63
C1=CC=C(CSCCOCC2=NN=N[N-]2)C=C1	REAL250004655605	1	30	-1.0	-38.65	276.77	5.02	-33.63
BrC1=NOC(COCC2=N[N-]N=N2)=C1	REAL250004655606	0	19	-1.0	-39.95	207.23	0.93	-39.02
BrC1=NOC(COCC2=NN=N[N-]2)=C1	REAL250004655606	1	19	-1.0	-39.95	207.28	0.95	-39.00
BrC1=CC(COCC2=N[N-]N=N2)=CC=N1	REAL250004655607	0	22	-1.0	-39.82	226.87	1.63	-38.19
BrC1=CC(COCC2=NN=N[N-]2)=CC=N1	REAL250004655607	1	22	-1.0	-39.84	226.92	1.65	-38.19
CC(C)N1N=CC2=CC(COCC3=NN=N[N-]3)=CN=C21	REAL250004655608	0	34	-1.0	-43.57	297.51	3.61	-39.96
CC(C)N1N=CC2=CC(COCC3=N[N-]N=N3)=CN=C21	REAL250004655608	1	34	-1.0	-43.54	297.45	3.60	-39.94
CCS(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655609	0	32	-1.0	-48.18	292.68	1.31	-46.87
CCS(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655609	1	32	-1.0	-48.17	292.74	1.33	-46.84
ClC1=CC=CC(Cl)=C1CCOCC1=N[N-]N=N1	REAL250004655610	0	26	-1.0	-40.55	260.12	4.52	-36.03
ClC1=CC=CC(Cl)=C1CCOCC1=NN=N[N-]1	REAL250004655610	1	26	-1.0	-40.58	260.17	4.54	-36.04
BrC1=CC(COCC2=N[N-]N=N2)=CC=N1	REAL250004655611	0	22	-1.0	-39.82	226.87	1.63	-38.19
BrC1=CC(COCC2=NN=N[N-]2)=CC=N1	REAL250004655611	1	22	-1.0	-39.84	226.92	1.65	-38.19
CN1C=C(Br)C(COCC2=N[N-]N=N2)=N1	REAL250004655612	0	23	-1.0	-44.64	234.26	1.19	-43.45
CN1C=C(Br)C(COCC2=NN=N[N-]2)=N1	REAL250004655612	1	23	-1.0	-44.61	234.32	1.20	-43.41
CC1=CC=C(COCC2=N[N-]N=N2)C(Br)=C1	REAL250004655613	0	26	-1.0	-38.83	249.19	4.32	-34.51
CC1=CC=C(COCC2=NN=N[N-]2)C(Br)=C1	REAL250004655613	1	26	-1.0	-38.82	249.25	4.33	-34.49
CC(C)OC(COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655614	0	36	-1.0	-40.72	302.02	4.47	-36.25
CC(C)OC(COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655614	1	36	-1.0	-40.75	302.08	4.49	-36.26
CCC1=NC(C(C)C)=CC=C1COCC1=N[N-]N=N1	REAL250004655615	0	37	-1.0	-40.04	302.02	4.34	-35.70
CCC1=NC(C(C)C)=CC=C1COCC1=NN=N[N-]1	REAL250004655615	1	37	-1.0	-40.07	302.08	4.35	-35.72
CCOC(=O)C1=C(C)ON=C1COCC1=N[N-]N=N1	REAL250004655616	0	31	-1.0	-44.24	286.76	2.74	-41.50
CCOC(=O)C1=C(C)ON=C1COCC1=NN=N[N-]1	REAL250004655616	1	31	-1.0	-44.28	286.82	2.76	-41.52
C1=C(COCC2=N[N-]N=N2)N(C2=CC=CC=C2)N=N1	REAL250004655617	0	29	-1.0	-44.05	259.32	2.64	-41.41
C1=C(COCC2=NN=N[N-]2)N(C2=CC=CC=C2)N=N1	REAL250004655617	1	29	-1.0	-44.08	259.38	2.65	-41.43
COC(=O)[C@@H](NC(=O)COCC1=N[N-]N=N1)C(C)C	REAL250004655618	0	35	-1.0	-46.68	295.89	1.67	-45.01
COC(=O)[C@@H](NC(=O)COCC1=NN=N[N-]1)C(C)C	REAL250004655618	1	35	-1.0	-46.71	295.94	1.69	-45.02
O=[N+]([O-])C1=CC=C(COCC2=N[N-]N=N2)C(Cl)=C1	REAL250004655619	0	25	-1.0	-36.69	251.90	4.22	-32.47
O=[N+]([O-])C1=CC=C(COCC2=NN=N[N-]2)C(Cl)=C1	REAL250004655619	1	25	-1.0	-36.66	251.96	4.24	-32.42
O=[N+]([O-])C1=CC(F)=C(COCC2=N[N-]N=N2)C(F)=C1	REAL250004655620	0	25	-1.0	-38.47	249.35	3.63	-34.84
O=[N+]([O-])C1=CC(F)=C(COCC2=NN=N[N-]2)C(F)=C1	REAL250004655620	1	25	-1.0	-38.47	249.41	3.65	-34.82
C1=CC(C2CCCC2)=CC=C1COCC1=N[N-]N=N1	REAL250004655621	0	36	-1.0	-39.57	294.07	6.09	-33.48
C1=CC(C2CCCC2)=CC=C1COCC1=NN=N[N-]1	REAL250004655621	1	36	-1.0	-39.56	294.13	6.10	-33.46
ClC1=CC2=C(C=C1COCC1=N[N-]N=N1)OCCO2	REAL250004655622	0	29	-1.0	-42.38	268.16	2.71	-39.67
ClC1=CC2=C(C=C1COCC1=NN=N[N-]1)OCCO2	REAL250004655622	1	29	-1.0	-42.36	268.22	2.73	-39.63
CC1=CC=C(OC(F)F)C(COCC2=N[N-]N=N2)=C1	REAL250004655623	0	30	-1.0	-42.04	268.35	3.36	-38.68
CC1=CC=C(OC(F)F)C(COCC2=NN=N[N-]2)=C1	REAL250004655623	1	30	-1.0	-42.09	268.41	3.38	-38.71
FC1=CC(C(F)(F)F)=C(F)C=C1COCC1=N[N-]N=N1	REAL250004655624	0	26	-1.0	-37.73	258.54	4.19	-33.54
FC1=CC(C(F)(F)F)=C(F)C=C1COCC1=NN=N[N-]1	REAL250004655624	1	26	-1.0	-37.72	258.60	4.20	-33.52
ClC1=CC=C2C(=C1)C=CN2CCOCC1=N[N-]N=N1	REAL250004655625	0	30	-1.0	-38.06	281.63	5.40	-32.66
ClC1=CC=C2C(=C1)C=CN2CCOCC1=NN=N[N-]1	REAL250004655625	1	30	-1.0	-38.09	281.69	5.42	-32.67
N#CC1=CC(Br)=CC=C1COCC1=N[N-]N=N1	REAL250004655626	0	24	-1.0	-36.80	249.28	3.99	-32.81
N#CC1=CC(Br)=CC=C1COCC1=NN=N[N-]1	REAL250004655626	1	24	-1.0	-36.79	249.34	4.01	-32.78
CCN(CCOC)C1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655627	0	40	-1.0	-41.13	332.08	3.93	-37.20
CCN(CCOC)C1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655627	1	40	-1.0	-41.13	332.14	3.94	-37.19
CC(C)(C)[Si](C)(C)OCCOCC1=N[N-]N=N1	REAL250004655628	0	38	-1.0	-42.92	311.14	4.83	-38.09
CC(C)(C)[Si](C)(C)OCCOCC1=NN=N[N-]1	REAL250004655628	1	38	-1.0	-42.94	311.21	4.85	-38.09
O=C(C1=CC=CC=C1)N1CCC(COCC2=N[N-]N=N2)C1	REAL250004655629	0	37	-1.0	-51.88	309.70	3.99	-47.89
O=C(C1=CC=CC=C1)N1CCC(COCC2=NN=N[N-]2)C1	REAL250004655629	1	37	-1.0	-51.86	309.76	4.00	-47.86
O=C1C=C(COCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL250004655630	0	32	-1.0	-46.27	287.23	2.74	-43.53
O=C1C=C(COCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL250004655630	1	32	-1.0	-46.29	287.17	2.73	-43.56
CCOC(=O)C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655631	0	27	-1.0	-44.00	259.31	-0.64	-44.64
CCOC(=O)C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655631	1	27	-1.0	-43.99	259.37	-0.63	-44.62
CC1=CC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655632	0	26	-1.0	-42.26	247.99	4.27	-37.99
CC1=CC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655632	1	26	-1.0	-42.28	248.05	4.28	-38.00
CC(C)(C)OC(=O)N1CCC(CCOCC2=N[N-]N=N2)C1	REAL250004655633	0	43	-1.0	-43.21	342.76	3.73	-39.48
CC(C)(C)OC(=O)N1CCC(CCOCC2=NN=N[N-]2)C1	REAL250004655633	1	43	-1.0	-43.18	342.82	3.75	-39.43
O=C(C1=CC=CC(COCC2=N[N-]N=N2)=C1)C(F)(F)F	REAL250004655636	0	28	-1.0	-40.95	269.40	3.71	-37.24
O=C(C1=CC=CC(COCC2=NN=N[N-]2)=C1)C(F)(F)F	REAL250004655636	1	28	-1.0	-40.96	269.46	3.72	-37.24
FC1=CC(C2=NC=CO2)=CC=C1COCC1=NN=N[N-]1	REAL250004655637	0	29	-1.0	-40.58	270.39	1.64	-38.94
FC1=CC(C2=NC=CO2)=CC=C1COCC1=N[N-]N=N1	REAL250004655637	1	29	-1.0	-40.59	270.34	1.63	-38.96
COC(=O)C1=CC(COCC2=N[N-]N=N2)=CS1	REAL250004655638	0	26	-1.0	-42.98	256.70	2.59	-40.39
COC(=O)C1=CC(COCC2=NN=N[N-]2)=CS1	REAL250004655638	1	26	-1.0	-43.01	256.76	2.61	-40.40
CC1=CC2=CC(COCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004655639	0	31	-1.0	-43.13	273.11	3.92	-39.21
CC1=CC2=CC(COCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004655639	1	31	-1.0	-43.13	273.06	3.90	-39.23
ClC1=CC(COCC2=N[N-]N=N2)=C(Cl)S1	REAL250004655640	0	20	-1.0	-37.14	232.13	3.18	-33.96
ClC1=CC(COCC2=NN=N[N-]2)=C(Cl)S1	REAL250004655640	1	20	-1.0	-37.13	232.19	3.20	-33.93
FC1=CC(Br)=CC(COCC2=N[N-]N=N2)=C1	REAL250004655641	0	23	-1.0	-37.91	238.23	3.58	-34.33
FC1=CC(Br)=CC(COCC2=NN=N[N-]2)=C1	REAL250004655641	1	23	-1.0	-37.90	238.29	3.59	-34.31
CC1=CC=C(COCC2=N[N-]N=N2)C=C1Br	REAL250004655642	0	26	-1.0	-39.53	250.01	4.08	-35.45
CC1=CC=C(COCC2=NN=N[N-]2)C=C1Br	REAL250004655642	1	26	-1.0	-39.58	250.07	4.09	-35.49
CS(=O)(=O)C1=CC=C(COCC2=N[N-]N=N2)O1	REAL250004655643	0	26	-1.0	-52.69	254.56	-1.41	-54.10
CS(=O)(=O)C1=CC=C(COCC2=NN=N[N-]2)O1	REAL250004655643	1	26	-1.0	-52.69	254.62	-1.40	-54.09
O=C(COCC1=N[N-]N=N1)NC1=C(F)C=CC=C1F	REAL250004655644	0	27	-1.0	-52.74	261.62	2.47	-50.27
O=C(COCC1=NN=N[N-]1)NC1=C(F)C=CC=C1F	REAL250004655644	1	27	-1.0	-52.72	261.68	2.49	-50.23
C1=CC(CN2CCOCC2)=CC=C1COCC1=N[N-]N=N1	REAL250004655645	0	39	-1.0	-40.58	319.38	2.00	-38.58
C1=CC(CN2CCOCC2)=CC=C1COCC1=NN=N[N-]1	REAL250004655645	1	39	-1.0	-40.58	319.44	2.01	-38.57
C1=CC(COCC2=N[N-]N=N2)=CC(CN2CCOCC2)=C1	REAL250004655646	0	39	-1.0	-40.87	318.50	1.81	-39.06
C1=CC(COCC2=NN=N[N-]2)=CC(CN2CCOCC2)=C1	REAL250004655646	1	39	-1.0	-40.87	318.56	1.82	-39.05
ClC1=CC=CC=C1C1=CC(COCC2=NN=N[N-]2)=NO1	REAL250004655647	0	29	-1.0	-40.76	281.36	4.57	-36.19
ClC1=CC=CC=C1C1=CC(COCC2=N[N-]N=N2)=NO1	REAL250004655647	1	29	-1.0	-40.72	281.30	4.55	-36.17
FC1=CC=C(COCC2=N[N-]N=N2)C=C1Br	REAL250004655648	0	23	-1.0	-38.72	237.53	3.55	-35.17
FC1=CC=C(COCC2=NN=N[N-]2)C=C1Br	REAL250004655648	1	23	-1.0	-38.73	237.59	3.57	-35.16
C1=CC=C(C2=CC=C(COCC3=N[N-]N=N3)C=N2)N=C1	REAL250004655649	0	31	-1.0	-44.10	279.71	3.23	-40.87
C1=CC=C(C2=CC=C(COCC3=NN=N[N-]3)C=N2)N=C1	REAL250004655649	1	31	-1.0	-44.10	279.77	3.25	-40.85
BrC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655650	0	23	-1.0	-38.28	231.81	3.52	-34.76
BrC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655650	1	23	-1.0	-38.28	231.87	3.53	-34.75
FC1=CC=CC(F)=C1CCCOCC1=N[N-]N=N1	REAL250004655651	0	29	-1.0	-41.73	264.14	4.51	-37.22
FC1=CC=CC(F)=C1CCCOCC1=NN=N[N-]1	REAL250004655651	1	29	-1.0	-41.72	264.20	4.52	-37.20
FC(F)(F)COC1=CC=C(COCC2=N[N-]N=N2)N=N1	REAL250004655652	0	28	-1.0	-37.22	272.00	-0.19	-37.41
FC(F)(F)COC1=CC=C(COCC2=NN=N[N-]2)N=N1	REAL250004655652	1	28	-1.0	-37.22	272.05	-0.18	-37.40
C1=CC=C(COC2=CC=C(COCC3=NN=N[N-]3)C=N2)C=C1	REAL250004655653	0	36	-1.0	-42.06	319.38	3.59	-38.47
C1=CC=C(COC2=CC=C(COCC3=N[N-]N=N3)C=N2)C=C1	REAL250004655653	1	36	-1.0	-42.03	319.33	3.57	-38.46
CS(=O)(=O)CC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655654	0	32	-1.0	-50.87	295.54	1.11	-49.76
CS(=O)(=O)CC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655654	1	32	-1.0	-50.87	295.60	1.13	-49.74
C1=CC=C(COC2=CC=CC=C2COCC2=N[N-]N=N2)C=C1	REAL250004655655	0	37	-1.0	-42.48	318.95	6.41	-36.07
C1=CC=C(COC2=CC=CC=C2COCC2=NN=N[N-]2)C=C1	REAL250004655655	1	37	-1.0	-42.52	319.01	6.42	-36.10
COC1=CC=C(C(C)C)C=C1COCC1=N[N-]N=N1	REAL250004655656	0	36	-1.0	-42.63	297.39	4.34	-38.29
COC1=CC=C(C(C)C)C=C1COCC1=NN=N[N-]1	REAL250004655656	1	36	-1.0	-42.64	297.45	4.35	-38.29
FC1(F)OC2=CC=CC(COCC3=N[N-]N=N3)=C2O1	REAL250004655657	0	26	-1.0	-37.52	247.97	2.17	-35.35
FC1(F)OC2=CC=CC(COCC3=NN=N[N-]3)=C2O1	REAL250004655657	1	26	-1.0	-37.51	248.02	2.18	-35.33
BrC1=CSC=C1COCC1=N[N-]N=N1	REAL250004655658	0	20	-1.0	-37.69	219.25	2.58	-35.11
BrC1=CSC=C1COCC1=NN=N[N-]1	REAL250004655658	1	20	-1.0	-37.72	219.31	2.59	-35.13
COC(=O)C1=CC=C([N+](=O)[O-])C(COCC2=N[N-]N=N2)=C1	REAL250004655659	0	31	-1.0	-46.34	286.16	4.25	-42.09
COC(=O)C1=CC=C([N+](=O)[O-])C(COCC2=NN=N[N-]2)=C1	REAL250004655659	1	31	-1.0	-46.36	286.22	4.26	-42.10
CCC(OCCOCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655660	0	36	-1.0	-43.88	302.25	4.56	-39.32
CCC(OCCOCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655660	1	36	-1.0	-43.88	302.30	4.58	-39.30
FC(F)(F)OC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655661	0	27	-1.0	-39.18	256.52	2.69	-36.49
FC(F)(F)OC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655661	1	27	-1.0	-39.15	256.58	2.70	-36.45
N#CC1=CC=C(COCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004655662	0	26	-1.0	-37.86	252.21	3.99	-33.87
N#CC1=CC=C(COCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004655662	1	26	-1.0	-37.88	252.26	4.00	-33.88
C1=CC=C(COC2=CC=CC(COCC3=N[N-]N=N3)=C2)N=C1	REAL250004655663	0	36	-1.0	-43.57	314.56	4.48	-39.09
C1=CC=C(COC2=CC=CC(COCC3=NN=N[N-]3)=C2)N=C1	REAL250004655663	1	36	-1.0	-43.60	314.61	4.50	-39.10
FC1=CC=C(SCCOCC2=N[N-]N=N2)C(F)=C1	REAL250004655664	0	27	-1.0	-37.27	262.97	4.22	-33.05
FC1=CC=C(SCCOCC2=NN=N[N-]2)C(F)=C1	REAL250004655664	1	27	-1.0	-37.29	263.03	4.23	-33.06
O=S1(=O)N=C(COCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004655665	0	27	-1.0	-62.29	260.34	-0.72	-63.01
O=S1(=O)N=C(COCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004655665	1	27	-1.0	-62.29	260.39	-0.71	-63.00
COC1=CC=CC(COCC2=N[N-]N=N2)=C1Cl	REAL250004655666	0	27	-1.0	-40.02	252.47	2.90	-37.12
COC1=CC=CC(COCC2=NN=N[N-]2)=C1Cl	REAL250004655666	1	27	-1.0	-40.02	252.53	2.92	-37.10
ClC1=CC=CC(SCCOCC2=N[N-]N=N2)=C1	REAL250004655667	0	27	-1.0	-37.30	267.54	4.62	-32.68
ClC1=CC=CC(SCCOCC2=NN=N[N-]2)=C1	REAL250004655667	1	27	-1.0	-37.32	267.60	4.64	-32.68
C1=CC=C([C@@H]2CC[C@@H](COCC3=N[N-]N=N3)C2)C=C1	REAL250004655668	0	36	-1.0	-39.54	293.71	6.08	-33.46
C1=CC=C([C@@H]2CC[C@@H](COCC3=NN=N[N-]3)C2)C=C1	REAL250004655668	1	36	-1.0	-39.53	293.77	6.09	-33.44
COC1=CC=CC(SCCOCC2=N[N-]N=N2)=C1	REAL250004655669	0	31	-1.0	-39.63	280.30	3.41	-36.22
COC1=CC=CC(SCCOCC2=NN=N[N-]2)=C1	REAL250004655669	1	31	-1.0	-39.62	280.36	3.42	-36.20
FC1=CC=CC(COCC2=N[N-]N=N2)=C1OC(F)F	REAL250004655670	0	27	-1.0	-40.84	253.37	2.79	-38.05
FC1=CC=CC(COCC2=NN=N[N-]2)=C1OC(F)F	REAL250004655670	1	27	-1.0	-40.84	253.43	2.80	-38.04
FC1=CC=C(OC(F)F)C(COCC2=N[N-]N=N2)=C1	REAL250004655671	0	27	-1.0	-42.67	253.35	2.76	-39.91
FC1=CC=C(OC(F)F)C(COCC2=NN=N[N-]2)=C1	REAL250004655671	1	27	-1.0	-42.69	253.41	2.77	-39.92
C1=NN(C2=CC=CC=C2)C(COCC2=N[N-]N=N2)=N1	REAL250004655673	0	29	-1.0	-44.24	261.20	4.62	-39.62
C1=NN(C2=CC=CC=C2)C(COCC2=NN=N[N-]2)=N1	REAL250004655673	1	29	-1.0	-44.22	261.26	4.63	-39.59
BrC1=NC=C(COCC2=NN=N[N-]2)S1	REAL250004655674	0	19	-1.0	-38.91	217.06	0.70	-38.21
BrC1=NC=C(COCC2=N[N-]N=N2)S1	REAL250004655674	1	19	-1.0	-38.91	217.01	0.69	-38.22
CC(C)(C)C(=O)N1CCCC(COCC2=N[N-]N=N2)C1	REAL250004655675	0	42	-1.0	-44.56	317.70	3.44	-41.12
CC(C)(C)C(=O)N1CCCC(COCC2=NN=N[N-]2)C1	REAL250004655675	1	42	-1.0	-44.56	317.76	3.45	-41.11
FC(F)(F)C1=CC(COCC2=N[N-]N=N2)=CC=C1Cl	REAL250004655676	0	26	-1.0	-39.01	262.42	4.31	-34.70
FC(F)(F)C1=CC(COCC2=NN=N[N-]2)=CC=C1Cl	REAL250004655676	1	26	-1.0	-39.03	262.47	4.32	-34.71
COC1=CC=CC(COCC2=N[N-]N=N2)=C1Cl	REAL250004655677	0	27	-1.0	-40.02	252.47	2.90	-37.12
COC1=CC=CC(COCC2=NN=N[N-]2)=C1Cl	REAL250004655677	1	27	-1.0	-40.02	252.53	2.92	-37.10
CC(C)(C)OC(=O)N1CCOC(COCC2=N[N-]N=N2)C1	REAL250004655678	0	41	-1.0	-44.24	328.77	1.77	-42.47
CC(C)(C)OC(=O)N1CCOC(COCC2=NN=N[N-]2)C1	REAL250004655678	1	41	-1.0	-44.24	328.83	1.79	-42.45
N#CC1=CC=C(COCC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL250004655679	0	27	-1.0	-37.15	261.95	4.29	-32.86
N#CC1=CC=C(COCC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL250004655679	1	27	-1.0	-37.16	262.01	4.31	-32.85
CN(CC1=CN(C)N=C1)C(=O)COCC1=NN=N[N-]1	REAL250004655680	0	33	-1.0	-51.31	291.63	2.31	-49.00
CN(CC1=CN(C)N=C1)C(=O)COCC1=N[N-]N=N1	REAL250004655680	1	33	-1.0	-51.32	291.57	2.30	-49.02
COC(COCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL250004655681	0	33	-1.0	-41.45	284.05	3.39	-38.06
COC(COCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004655681	1	33	-1.0	-41.45	284.11	3.40	-38.05
COCCOCCOCCCOCC1=N[N-]N=N1	REAL250004655682	0	37	-1.0	-44.14	316.74	0.28	-43.86
COCCOCCOCCCOCC1=NN=N[N-]1	REAL250004655682	1	37	-1.0	-44.16	316.79	0.29	-43.87
O=C(COCC1=N[N-]N=N1)NC1=CC=C(Cl)C(F)=C1	REAL250004655683	0	27	-1.0	-47.49	267.17	2.71	-44.78
O=C(COCC1=NN=N[N-]1)NC1=CC=C(Cl)C(F)=C1	REAL250004655683	1	27	-1.0	-47.50	267.23	2.73	-44.77
C[C@@H](NC(=O)COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655684	0	33	-1.0	-49.25	288.16	3.19	-46.06
C[C@@H](NC(=O)COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655684	1	33	-1.0	-49.27	288.22	3.21	-46.06
COC1=CC=C(C2=NOC(COCC3=NN=N[N-]3)=C2)C=C1	REAL250004655685	0	33	-1.0	-44.19	294.99	3.35	-40.84
COC1=CC=C(C2=NOC(COCC3=N[N-]N=N3)=C2)C=C1	REAL250004655685	1	33	-1.0	-44.17	294.93	3.33	-40.84
COC(COCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004655686	0	30	-1.0	-38.07	266.82	3.18	-34.89
COC(COCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004655686	1	30	-1.0	-38.04	266.88	3.19	-34.85
CS(=O)(=O)C1=CC(COCC2=N[N-]N=N2)=CO1	REAL250004655687	0	26	-1.0	-51.55	254.55	-1.57	-53.12
CS(=O)(=O)C1=CC(COCC2=NN=N[N-]2)=CO1	REAL250004655687	1	26	-1.0	-51.59	254.61	-1.55	-53.14
FC(F)(F)C1=NC=CC=C1COCC1=NN=N[N-]1	REAL250004655688	0	25	-1.0	-38.42	237.77	2.22	-36.20
FC(F)(F)C1=NC=CC=C1COCC1=N[N-]N=N1	REAL250004655688	1	25	-1.0	-38.40	237.71	2.21	-36.19
FC1(F)OC2=CC=CC(COCC3=N[N-]N=N3)=C2O1	REAL250004655689	0	26	-1.0	-37.52	247.97	2.17	-35.35
FC1(F)OC2=CC=CC(COCC3=NN=N[N-]3)=C2O1	REAL250004655689	1	26	-1.0	-37.51	248.02	2.18	-35.33
COC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655690	0	31	-1.0	-47.75	269.69	2.58	-45.17
COC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655690	1	31	-1.0	-47.72	269.75	2.60	-45.12
BrC1=C(COCC2=N[N-]N=N2)N=CS1	REAL250004655691	0	19	-1.0	-41.42	215.01	0.55	-40.87
BrC1=C(COCC2=NN=N[N-]2)N=CS1	REAL250004655691	1	19	-1.0	-41.45	215.07	0.56	-40.89
O=[N+]([O-])C1=CC(F)=CC=C1COCC1=N[N-]N=N1	REAL250004655692	0	25	-1.0	-36.42	237.83	3.66	-32.76
O=[N+]([O-])C1=CC(F)=CC=C1COCC1=NN=N[N-]1	REAL250004655692	1	25	-1.0	-36.43	237.89	3.68	-32.75
ClC1=CC=CC(CCCCOCC2=N[N-]N=N2)=C1	REAL250004655693	0	32	-1.0	-39.07	291.74	5.75	-33.32
ClC1=CC=CC(CCCCOCC2=NN=N[N-]2)=C1	REAL250004655693	1	32	-1.0	-39.08	291.80	5.76	-33.32
CC(C)(C)N1N=NC(CCOCC2=N[N-]N=N2)=N1	REAL250004655694	0	33	-1.0	-42.17	285.38	1.42	-40.75
CC(C)(C)N1N=NC(CCOCC2=NN=N[N-]2)=N1	REAL250004655694	1	33	-1.0	-42.17	285.44	1.43	-40.74
ClC1=C(COCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004655695	0	26	-1.0	-42.10	254.65	3.84	-38.26
ClC1=C(COCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004655695	1	26	-1.0	-42.08	254.70	3.86	-38.22
C1=C(COCC2=N[N-]N=N2)N=C(C2=CC=CC=N2)O1	REAL250004655697	0	28	-1.0	-44.10	261.54	-0.48	-44.58
C1=C(COCC2=NN=N[N-]2)N=C(C2=CC=CC=N2)O1	REAL250004655697	1	28	-1.0	-44.10	261.59	-0.46	-44.56
CC1=CC=CC=C1SCC(C)COCC1=N[N-]N=N1	REAL250004655698	0	36	-1.0	-40.36	308.88	6.08	-34.28
CC1=CC=CC=C1SCC(C)COCC1=NN=N[N-]1	REAL250004655698	1	36	-1.0	-40.36	308.94	6.09	-34.27
CCCN(CC(F)(F)F)C(=O)COCC1=N[N-]N=N1	REAL250004655699	0	32	-1.0	-50.45	283.88	3.43	-47.02
CCCN(CC(F)(F)F)C(=O)COCC1=NN=N[N-]1	REAL250004655699	1	32	-1.0	-50.49	283.94	3.44	-47.05
FC1=CC=CC=C1C1=NC(COCC2=NN=N[N-]2)=CO1	REAL250004655700	0	29	-1.0	-43.35	270.69	1.78	-41.57
FC1=CC=CC=C1C1=NC(COCC2=N[N-]N=N2)=CO1	REAL250004655700	1	29	-1.0	-43.36	270.63	1.77	-41.59
FC(F)(F)C1=CC=CN=C1COCC1=N[N-]N=N1	REAL250004655701	0	25	-1.0	-44.02	237.71	1.97	-42.05
FC(F)(F)C1=CC=CN=C1COCC1=NN=N[N-]1	REAL250004655701	1	25	-1.0	-44.01	237.77	1.99	-42.02
COC1=CC=CC(C2=NC(COCC3=NN=N[N-]3)=CO2)=C1	REAL250004655702	0	33	-1.0	-42.09	295.67	0.74	-41.35
COC1=CC=CC(C2=NC(COCC3=N[N-]N=N3)=CO2)=C1	REAL250004655702	1	33	-1.0	-42.08	295.61	0.72	-41.36
CN(C)S(C)(=O)=NC(=O)COCC1=N[N-]N=N1	REAL250004655703	0	30	-1.0	-57.64	274.25	-1.63	-59.27
CN(C)S(C)(=O)=NC(=O)COCC1=NN=N[N-]1	REAL250004655703	1	30	-1.0	-57.64	274.30	-1.62	-59.26
CCN(CC(F)(F)F)C(=O)COCC1=N[N-]N=N1	REAL250004655704	0	29	-1.0	-49.76	264.42	2.71	-47.05
CCN(CC(F)(F)F)C(=O)COCC1=NN=N[N-]1	REAL250004655704	1	29	-1.0	-49.74	264.48	2.73	-47.01
COC(=O)C1=CC(C(=O)COCC2=N[N-]N=N2)=C(C)N1	REAL250004655705	0	32	-1.0	-48.64	293.05	2.83	-45.81
COC(=O)C1=CC(C(=O)COCC2=NN=N[N-]2)=C(C)N1	REAL250004655705	1	32	-1.0	-48.66	293.11	2.85	-45.81
CN1N=CC(Br)=C1COCC1=N[N-]N=N1	REAL250004655706	0	23	-1.0	-40.32	232.45	1.08	-39.24
CN1N=CC(Br)=C1COCC1=NN=N[N-]1	REAL250004655706	1	23	-1.0	-40.34	232.51	1.09	-39.25
CN1C(=O)OC2=CC=C(COCC3=N[N-]N=N3)C=C21	REAL250004655707	0	29	-1.0	-43.04	264.69	2.85	-40.19
CN1C(=O)OC2=CC=C(COCC3=NN=N[N-]3)C=C21	REAL250004655707	1	29	-1.0	-43.04	264.74	2.87	-40.17
COC1=CC=CC=C1C1=NC(COCC2=NN=N[N-]2)=CO1	REAL250004655708	0	33	-1.0	-44.36	293.46	1.62	-42.74
COC1=CC=CC=C1C1=NC(COCC2=N[N-]N=N2)=CO1	REAL250004655708	1	33	-1.0	-44.35	293.40	1.61	-42.74
CC1=C(COCC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004655709	0	32	-1.0	-45.13	286.95	2.10	-43.03
CC1=C(COCC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004655709	1	32	-1.0	-45.12	286.89	2.08	-43.04
C1=CC=C(C2=NC=C(COCC3=NN=N[N-]3)C=N2)C=C1	REAL250004655710	0	31	-1.0	-43.26	279.74	4.20	-39.06
C1=CC=C(C2=NC=C(COCC3=N[N-]N=N3)C=N2)C=C1	REAL250004655710	1	31	-1.0	-43.29	279.68	4.19	-39.10
CN1C=C(COCC2=NN=N[N-]2)C(Br)=N1	REAL250004655711	0	23	-1.0	-38.50	233.70	1.24	-37.26
CN1C=C(COCC2=N[N-]N=N2)C(Br)=N1	REAL250004655711	1	23	-1.0	-38.51	233.64	1.23	-37.28
CCOC(=O)C1=NC=C(COCC2=NN=N[N-]2)S1	REAL250004655712	0	28	-1.0	-41.36	274.07	1.75	-39.61
CCOC(=O)C1=NC=C(COCC2=N[N-]N=N2)S1	REAL250004655712	1	28	-1.0	-41.37	274.01	1.73	-39.64
FC1(F)OC2=CC=CC(CCOCC3=N[N-]N=N3)=C2O1	REAL250004655713	0	29	-1.0	-43.03	271.65	2.77	-40.26
FC1(F)OC2=CC=CC(CCOCC3=NN=N[N-]3)=C2O1	REAL250004655713	1	29	-1.0	-43.02	271.70	2.78	-40.24
ClC1=CN=CC(Cl)=C1COCC1=N[N-]N=N1	REAL250004655714	0	22	-1.0	-38.36	233.98	1.98	-36.38
ClC1=CN=CC(Cl)=C1COCC1=NN=N[N-]1	REAL250004655714	1	22	-1.0	-38.38	234.04	1.99	-36.39
CN1C=CN2C(COCC3=N[N-]N=N3)=NN=C2C1=O	REAL250004655715	0	28	-1.0	-55.48	257.82	2.10	-53.38
CN1C=CN2C(COCC3=NN=N[N-]3)=NN=C2C1=O	REAL250004655715	1	28	-1.0	-55.47	257.88	2.12	-53.35
C1=C(COCC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004655716	0	29	-1.0	-44.55	267.25	1.56	-42.99
C1=C(COCC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004655716	1	29	-1.0	-44.53	267.19	1.54	-42.99
FC1(F)OC2=CC=C(COCC3=N[N-]N=N3)C=C2O1	REAL250004655717	0	26	-1.0	-39.79	250.13	2.00	-37.79
FC1(F)OC2=CC=C(COCC3=NN=N[N-]3)C=C2O1	REAL250004655717	1	26	-1.0	-39.81	250.19	2.01	-37.80
N#CC1=CC=CC(C2=NC(COCC3=NN=N[N-]3)=CO2)=C1	REAL250004655718	0	30	-1.0	-42.47	287.03	1.82	-40.65
N#CC1=CC=CC(C2=NC(COCC3=N[N-]N=N3)=CO2)=C1	REAL250004655718	1	30	-1.0	-42.49	286.97	1.81	-40.68
O=[N+]([O-])C1=CC(Cl)=CC=C1COCC1=N[N-]N=N1	REAL250004655719	0	25	-1.0	-36.47	248.16	4.11	-32.36
O=[N+]([O-])C1=CC(Cl)=CC=C1COCC1=NN=N[N-]1	REAL250004655719	1	25	-1.0	-36.47	248.22	4.13	-32.34
CC1=C(Br)SC(COCC2=N[N-]N=N2)=N1	REAL250004655720	0	22	-1.0	-39.94	236.96	1.28	-38.66
CC1=C(Br)SC(COCC2=NN=N[N-]2)=N1	REAL250004655720	1	22	-1.0	-39.96	237.02	1.29	-38.67
CC1=CC(Br)=CC=C1COCC1=N[N-]N=N1	REAL250004655721	0	26	-1.0	-39.43	247.99	4.27	-35.16
CC1=CC(Br)=CC=C1COCC1=NN=N[N-]1	REAL250004655721	1	26	-1.0	-39.43	248.05	4.28	-35.15
BrC1=CC=CC=C1CCOCC1=N[N-]N=N1	REAL250004655722	0	26	-1.0	-39.82	248.10	4.11	-35.71
BrC1=CC=CC=C1CCOCC1=NN=N[N-]1	REAL250004655722	1	26	-1.0	-39.83	248.16	4.12	-35.71
CC(C)COC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655723	0	36	-1.0	-41.56	303.49	4.62	-36.94
CC(C)COC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655723	1	36	-1.0	-41.56	303.54	4.63	-36.93
C1=CC=C(C2=NN=C(COCC3=N[N-]N=N3)O2)C=C1	REAL250004655724	0	28	-1.0	-46.08	262.06	-1.13	-47.21
C1=CC=C(C2=NN=C(COCC3=NN=N[N-]3)O2)C=C1	REAL250004655724	1	28	-1.0	-46.07	262.12	-1.11	-47.18
CC(C)(C)S(=O)(=O)CCCOCC1=N[N-]N=N1	REAL250004655725	0	34	-1.0	-49.90	291.01	0.20	-49.70
CC(C)(C)S(=O)(=O)CCCOCC1=NN=N[N-]1	REAL250004655725	1	34	-1.0	-49.94	291.07	0.21	-49.73
COC1=CC=C([N+](=O)[O-])C=C1COCC1=N[N-]N=N1	REAL250004655726	0	29	-1.0	-49.32	265.39	3.09	-46.23
COC1=CC=C([N+](=O)[O-])C=C1COCC1=NN=N[N-]1	REAL250004655726	1	29	-1.0	-49.33	265.45	3.10	-46.23
CC1=CC2=CC=C(C)C(COCC3=N[N-]N=N3)=C2C=C1	REAL250004655727	0	35	-1.0	-42.83	292.08	6.25	-36.58
CC1=CC2=CC=C(C)C(COCC3=NN=N[N-]3)=C2C=C1	REAL250004655727	1	35	-1.0	-42.84	292.13	6.26	-36.58
COC1=NC=C(COCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004655729	0	32	-1.0	-45.19	278.87	2.03	-43.16
COC1=NC=C(COCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004655729	1	32	-1.0	-45.17	278.82	2.02	-43.15
CN(C)C1=NC=C(COCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004655730	0	36	-1.0	-45.71	303.86	4.08	-41.63
CN(C)C1=NC=C(COCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004655730	1	36	-1.0	-45.70	303.92	4.10	-41.60
COC1=CC=C2OC(COCC3=N[N-]N=N3)CC2=C1	REAL250004655731	0	32	-1.0	-44.73	275.69	2.13	-42.60
COC1=CC=C2OC(COCC3=NN=N[N-]3)CC2=C1	REAL250004655731	1	32	-1.0	-44.75	275.75	2.14	-42.61
ClC1=CC2=CC=CC=C2C(COCC2=N[N-]N=N2)=C1	REAL250004655732	0	29	-1.0	-42.92	268.96	5.77	-37.15
ClC1=CC2=CC=CC=C2C(COCC2=NN=N[N-]2)=C1	REAL250004655732	1	29	-1.0	-42.93	269.01	5.79	-37.14
CC(COCC1=N[N-]N=N1)COCC1=CC=CC=C1	REAL250004655733	0	36	-1.0	-41.45	306.91	4.47	-36.98
CC(COCC1=NN=N[N-]1)COCC1=CC=CC=C1	REAL250004655733	1	36	-1.0	-41.47	306.97	4.49	-36.98
BrC1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655734	0	22	-1.0	-37.94	224.75	1.76	-36.18
BrC1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655734	1	22	-1.0	-37.91	224.81	1.77	-36.14
FC1(F)[C@@H](COCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL250004655735	0	30	-1.0	-41.56	268.78	5.04	-36.52
FC1(F)[C@@H](COCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL250004655735	1	30	-1.0	-41.58	268.84	5.05	-36.53
CCC1=C(COCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004655736	0	35	-1.0	-42.43	287.95	6.46	-35.97
CCC1=C(COCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004655736	1	35	-1.0	-42.42	288.01	6.47	-35.95
CCSC1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655737	0	30	-1.0	-41.33	268.41	4.89	-36.44
CCSC1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655737	1	30	-1.0	-41.31	268.46	4.90	-36.41
CC1=CC(COCC2=NN=N[N-]2)=CN=C1Br	REAL250004655738	0	25	-1.0	-40.27	245.13	2.18	-38.09
CC1=CC(COCC2=N[N-]N=N2)=CN=C1Br	REAL250004655738	1	25	-1.0	-40.25	245.07	2.17	-38.08
CN1N=C(COCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004655739	0	26	-1.0	-40.04	248.28	1.42	-38.62
CN1N=C(COCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004655739	1	26	-1.0	-40.03	248.34	1.44	-38.59
FC(F)(F)C1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655740	0	26	-1.0	-39.77	249.25	3.89	-35.88
FC(F)(F)C1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655740	1	26	-1.0	-39.75	249.31	3.90	-35.85
CN1N=C(C(F)(F)F)C=C1COCC1=N[N-]N=N1	REAL250004655741	0	26	-1.0	-42.97	252.72	1.61	-41.36
CN1N=C(C(F)(F)F)C=C1COCC1=NN=N[N-]1	REAL250004655741	1	26	-1.0	-42.96	252.78	1.62	-41.34
CN1N=C(C(F)(F)F)C=C1COCC1=N[N-]N=N1	REAL250004655742	0	26	-1.0	-42.97	252.72	1.61	-41.36
CN1N=C(C(F)(F)F)C=C1COCC1=NN=N[N-]1	REAL250004655742	1	26	-1.0	-42.96	252.78	1.62	-41.34
CCOC1=CC=CC=C1OCCOCC1=N[N-]N=N1	REAL250004655743	0	34	-1.0	-48.02	291.54	3.50	-44.52
CCOC1=CC=CC=C1OCCOCC1=NN=N[N-]1	REAL250004655743	1	34	-1.0	-48.01	291.60	3.52	-44.49
CC1CN(C(=O)COCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004655744	0	37	-1.0	-48.55	297.76	2.38	-46.17
CC1CN(C(=O)COCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004655744	1	37	-1.0	-48.51	297.82	2.39	-46.12
CC1(C)CN(C(=O)COCC2=N[N-]N=N2)CCO1	REAL250004655745	0	34	-1.0	-48.95	276.57	1.66	-47.29
CC1(C)CN(C(=O)COCC2=NN=N[N-]2)CCO1	REAL250004655745	1	34	-1.0	-48.99	276.62	1.67	-47.32
FC1=CC=C(OCCOCC2=N[N-]N=N2)C=C1Cl	REAL250004655746	0	27	-1.0	-40.94	263.03	3.23	-37.71
FC1=CC=C(OCCOCC2=NN=N[N-]2)C=C1Cl	REAL250004655746	1	27	-1.0	-40.94	263.09	3.24	-37.70
CC1=CC=CC(COCC2=N[N-]N=N2)=C1Br	REAL250004655747	0	26	-1.0	-39.22	245.98	4.22	-35.00
CC1=CC=CC(COCC2=NN=N[N-]2)=C1Br	REAL250004655747	1	26	-1.0	-39.22	246.04	4.24	-34.98
COC(=O)C1=CC=C(COCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004655748	0	34	-1.0	-42.03	298.91	4.09	-37.94
COC(=O)C1=CC=C(COCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004655748	1	34	-1.0	-42.03	298.86	4.07	-37.96
CC1=C(C(C)(C)C)SC(COCC2=N[N-]N=N2)=N1	REAL250004655749	0	34	-1.0	-42.80	287.28	2.93	-39.87
CC1=C(C(C)(C)C)SC(COCC2=NN=N[N-]2)=N1	REAL250004655749	1	34	-1.0	-42.79	287.34	2.94	-39.85
C(CC1C2CC3CC(C2)CC1C3)OCC1=N[N-]N=N1	REAL250004655750	0	40	-1.0	-38.17	286.74	5.33	-32.84
C(CC1C2CC3CC(C2)CC1C3)OCC1=NN=N[N-]1	REAL250004655750	1	40	-1.0	-38.15	286.80	5.35	-32.80
CC(C)OCC1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655751	0	31	-1.0	-44.97	277.88	-0.82	-45.79
CC(C)OCC1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655751	1	31	-1.0	-44.92	277.94	-0.81	-45.73
BrC1=CC=C(C=CCOCC2=N[N-]N=N2)C=C1	REAL250004655752	0	27	-1.0	-39.20	262.94	4.79	-34.41
BrC1=CC=C(C=CCOCC2=NN=N[N-]2)C=C1	REAL250004655752	1	27	-1.0	-39.22	263.00	4.81	-34.41
FC(F)(F)CN1C=CC(COCC2=N[N-]N=N2)=N1	REAL250004655753	0	26	-1.0	-44.66	251.81	2.03	-42.63
FC(F)(F)CN1C=CC(COCC2=NN=N[N-]2)=N1	REAL250004655753	1	26	-1.0	-44.68	251.87	2.05	-42.63
BrC1=CC=CC=C1CCOCC1=N[N-]N=N1	REAL250004655754	0	26	-1.0	-39.82	248.10	4.11	-35.71
BrC1=CC=CC=C1CCOCC1=NN=N[N-]1	REAL250004655754	1	26	-1.0	-39.83	248.16	4.12	-35.71
C(CCCCOCC1=N[N-]N=N1)CCCCC1CC1	REAL250004655755	0	44	-1.0	-37.98	354.21	7.68	-30.30
C(CCCCOCC1=NN=N[N-]1)CCCCC1CC1	REAL250004655755	1	44	-1.0	-37.95	354.26	7.70	-30.25
CC(C)(C)OCC1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655756	0	35	-1.0	-40.43	305.39	1.91	-38.52
CC(C)(C)OCC1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655756	1	35	-1.0	-40.45	305.44	1.93	-38.52
FC(F)(F)C1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655757	0	25	-1.0	-37.86	243.02	2.27	-35.59
FC(F)(F)C1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655757	1	25	-1.0	-37.89	243.08	2.28	-35.61
BrC1=CN=C(COCC2=N[N-]N=N2)S1	REAL250004655758	0	19	-1.0	-39.45	217.01	0.74	-38.71
BrC1=CN=C(COCC2=NN=N[N-]2)S1	REAL250004655758	1	19	-1.0	-39.43	217.06	0.75	-38.68
FC(F)(F)C1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655759	0	25	-1.0	-37.86	243.02	2.27	-35.59
FC(F)(F)C1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655759	1	25	-1.0	-37.89	243.08	2.28	-35.61
CN1N=NC(Br)=C1COCC1=N[N-]N=N1	REAL250004655760	0	22	-1.0	-42.16	226.97	-0.24	-42.40
CN1N=NC(Br)=C1COCC1=NN=N[N-]1	REAL250004655760	1	22	-1.0	-42.13	227.03	-0.22	-42.35
CC1=CC=C(N2N=NN=C2COCC2=N[N-]N=N2)C=C1	REAL250004655761	0	31	-1.0	-43.04	276.17	3.03	-40.01
CC1=CC=C(N2N=NN=C2COCC2=NN=N[N-]2)C=C1	REAL250004655761	1	31	-1.0	-43.08	276.23	3.04	-40.04
O=S1(=O)CCC(OCCOCC2=N[N-]N=N2)CC1	REAL250004655762	0	33	-1.0	-49.57	286.45	-1.22	-50.79
O=S1(=O)CCC(OCCOCC2=NN=N[N-]2)CC1	REAL250004655762	1	33	-1.0	-49.59	286.51	-1.20	-50.79
CCOCC1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655763	0	29	-1.0	-40.55	271.09	0.77	-39.78
CCOCC1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655763	1	29	-1.0	-40.55	271.14	0.78	-39.77
CSC1=CC=C(COCC2=N[N-]N=N2)C=C1Cl	REAL250004655764	0	27	-1.0	-40.57	265.75	4.36	-36.21
CSC1=CC=C(COCC2=NN=N[N-]2)C=C1Cl	REAL250004655764	1	27	-1.0	-40.54	265.80	4.37	-36.17
CCC1=CC=C([N+](=O)[O-])C=C1COCC1=N[N-]N=N1	REAL250004655765	0	31	-1.0	-49.68	273.84	4.99	-44.69
CCC1=CC=C([N+](=O)[O-])C=C1COCC1=NN=N[N-]1	REAL250004655765	1	31	-1.0	-49.68	273.90	5.00	-44.68
CCOC(=O)C1=CSC(COCC2=N[N-]N=N2)=N1	REAL250004655766	0	28	-1.0	-44.05	273.36	1.47	-42.58
CCOC(=O)C1=CSC(COCC2=NN=N[N-]2)=N1	REAL250004655766	1	28	-1.0	-44.03	273.41	1.48	-42.55
FC(F)(F)C1CCCC(COCC2=N[N-]N=N2)O1	REAL250004655767	0	30	-1.0	-43.17	258.05	2.08	-41.09
FC(F)(F)C1CCCC(COCC2=NN=N[N-]2)O1	REAL250004655767	1	30	-1.0	-43.16	258.11	2.09	-41.07
FC(F)COCC1=NC(COCC2=N[N-]N=N2)=CS1	REAL250004655768	0	29	-1.0	-45.76	284.10	1.09	-44.67
FC(F)COCC1=NC(COCC2=NN=N[N-]2)=CS1	REAL250004655768	1	29	-1.0	-45.73	284.15	1.10	-44.63
COC(=O)C1=CC=C(COCC2=N[N-]N=N2)C=C1C	REAL250004655769	0	32	-1.0	-41.01	281.36	4.09	-36.92
COC(=O)C1=CC=C(COCC2=NN=N[N-]2)C=C1C	REAL250004655769	1	32	-1.0	-41.03	281.42	4.10	-36.93
COC(C)(C)C1=NOC(COCC2=N[N-]N=N2)=N1	REAL250004655770	0	31	-1.0	-45.35	269.30	-1.59	-46.94
COC(C)(C)C1=NOC(COCC2=NN=N[N-]2)=N1	REAL250004655770	1	31	-1.0	-45.37	269.35	-1.57	-46.94
CC1=C(Br)C(COCC2=N[N-]N=N2)=NN1C	REAL250004655771	0	26	-1.0	-45.32	252.69	1.63	-43.69
CC1=C(Br)C(COCC2=NN=N[N-]2)=NN1C	REAL250004655771	1	26	-1.0	-45.25	252.75	1.64	-43.61
FC(F)(F)C1CCCC1COCC1=N[N-]N=N1	REAL250004655772	0	29	-1.0	-39.03	243.60	3.26	-35.77
FC(F)(F)C1CCCC1COCC1=NN=N[N-]1	REAL250004655772	1	29	-1.0	-39.04	243.66	3.28	-35.76
COC(=O)C1(C2=CC=C(COCC3=N[N-]N=N3)C=C2)CC1	REAL250004655773	0	36	-1.0	-43.21	308.85	5.52	-37.69
COC(=O)C1(C2=CC=C(COCC3=NN=N[N-]3)C=C2)CC1	REAL250004655773	1	36	-1.0	-43.18	308.90	5.54	-37.64
N#CC1(OCCOCC2=N[N-]N=N2)CCOCC1	REAL250004655774	0	32	-1.0	-45.87	270.80	0.09	-45.78
N#CC1(OCCOCC2=NN=N[N-]2)CCOCC1	REAL250004655774	1	32	-1.0	-45.91	270.86	0.10	-45.81
C(OCC1CCCC12CCOCC2)C1=N[N-]N=N1	REAL250004655775	0	37	-1.0	-39.70	277.39	2.77	-36.93
C(OCC1CCCC12CCOCC2)C1=NN=N[N-]1	REAL250004655775	1	37	-1.0	-39.73	277.45	2.79	-36.94
CCN1C=C(Br)C(COCC2=N[N-]N=N2)=N1	REAL250004655776	0	26	-1.0	-44.88	255.79	2.04	-42.84
CCN1C=C(Br)C(COCC2=NN=N[N-]2)=N1	REAL250004655776	1	26	-1.0	-44.89	255.85	2.06	-42.83
COC(=O)C1=CC(COCC2=N[N-]N=N2)=C(Cl)S1	REAL250004655777	0	26	-1.0	-44.01	270.95	3.31	-40.70
COC(=O)C1=CC(COCC2=NN=N[N-]2)=C(Cl)S1	REAL250004655777	1	26	-1.0	-43.98	271.00	3.32	-40.66
BrC1=CSC(COCC2=N[N-]N=N2)=C1	REAL250004655778	0	20	-1.0	-38.22	222.22	2.60	-35.62
BrC1=CSC(COCC2=NN=N[N-]2)=C1	REAL250004655778	1	20	-1.0	-38.23	222.28	2.61	-35.62
CC(=O)C1=CC=C(OCC#CCOCC2=N[N-]N=N2)C=C1	REAL250004655779	0	34	-1.0	-50.07	309.16	4.40	-45.67
CC(=O)C1=CC=C(OCC#CCOCC2=NN=N[N-]2)C=C1	REAL250004655779	1	34	-1.0	-50.08	309.22	4.41	-45.67
C1=CC(OCCOCC2=N[N-]N=N2)=CC2=C1OCO2	REAL250004655780	0	30	-1.0	-45.94	266.51	1.31	-44.63
C1=CC(OCCOCC2=NN=N[N-]2)=CC2=C1OCO2	REAL250004655780	1	30	-1.0	-45.98	266.56	1.32	-44.66
BrC1=C(COCC2=N[N-]N=N2)SN=C1	REAL250004655781	0	19	-1.0	-38.10	215.30	1.25	-36.85
BrC1=C(COCC2=NN=N[N-]2)SN=C1	REAL250004655781	1	19	-1.0	-38.08	215.36	1.26	-36.82
CS(=O)(=O)C1=C(COCC2=N[N-]N=N2)C=CS1	REAL250004655782	0	26	-1.0	-45.39	256.86	-0.30	-45.69
CS(=O)(=O)C1=C(COCC2=NN=N[N-]2)C=CS1	REAL250004655782	1	26	-1.0	-45.41	256.91	-0.29	-45.70
C(OCC1=NC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL250004655783	0	32	-1.0	-43.60	276.41	3.16	-40.44
C(OCC1=NC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL250004655783	1	32	-1.0	-43.62	276.46	3.18	-40.44
COC(=O)C1=NN(C)C(COCC2=N[N-]N=N2)=C1	REAL250004655784	0	29	-1.0	-49.07	267.53	1.32	-47.75
COC(=O)C1=NN(C)C(COCC2=NN=N[N-]2)=C1	REAL250004655784	1	29	-1.0	-49.06	267.59	1.34	-47.72
C1=CC=C(N2C(COCC3=N[N-]N=N3)=NN=C2C2CC2)C=C1	REAL250004655785	0	36	-1.0	-47.97	316.63	6.62	-41.35
C1=CC=C(N2C(COCC3=NN=N[N-]3)=NN=C2C2CC2)C=C1	REAL250004655785	1	36	-1.0	-47.97	316.69	6.64	-41.33
C(OCC1=NC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL250004655786	0	29	-1.0	-43.08	259.04	2.61	-40.47
C(OCC1=NC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL250004655786	1	29	-1.0	-43.06	259.10	2.62	-40.44
CCN1N=CC(Br)=C1COCC1=N[N-]N=N1	REAL250004655787	0	26	-1.0	-40.01	254.24	1.95	-38.06
CCN1N=CC(Br)=C1COCC1=NN=N[N-]1	REAL250004655787	1	26	-1.0	-39.98	254.29	1.96	-38.02
CC1CCC2=C(C1)SC(COCC1=N[N-]N=N1)=N2	REAL250004655788	0	32	-1.0	-42.65	279.84	3.22	-39.43
CC1CCC2=C(C1)SC(COCC1=NN=N[N-]1)=N2	REAL250004655788	1	32	-1.0	-42.68	279.90	3.23	-39.45
CC1(C)CCC2=C(C1)SC(COCC1=N[N-]N=N1)=N2	REAL250004655789	0	35	-1.0	-42.89	294.75	3.52	-39.37
CC1(C)CCC2=C(C1)SC(COCC1=NN=N[N-]1)=N2	REAL250004655789	1	35	-1.0	-42.89	294.81	3.54	-39.35
CC(C)(C)OC(=O)CCOCCOCC1=N[N-]N=N1	REAL250004655790	0	38	-1.0	-42.81	316.46	2.95	-39.86
CC(C)(C)OC(=O)CCOCCOCC1=NN=N[N-]1	REAL250004655790	1	38	-1.0	-42.79	316.52	2.96	-39.83
COC1=CC=CC(C(F)COCC2=N[N-]N=N2)=C1	REAL250004655791	0	30	-1.0	-41.07	266.05	3.05	-38.02
COC1=CC=CC(C(F)COCC2=NN=N[N-]2)=C1	REAL250004655791	1	30	-1.0	-41.07	266.11	3.07	-38.00
CC1=C(COCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004655792	0	26	-1.0	-42.19	251.78	2.68	-39.51
CC1=C(COCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004655792	1	26	-1.0	-42.20	251.83	2.69	-39.51
C(OCC1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL250004655793	0	27	-1.0	-43.62	249.94	0.20	-43.42
C(OCC1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL250004655793	1	27	-1.0	-43.64	250.00	0.21	-43.43
COC(=O)C1=NC=C(COCC2=NN=N[N-]2)C=C1F	REAL250004655794	0	28	-1.0	-42.95	265.75	1.77	-41.18
COC(=O)C1=NC=C(COCC2=N[N-]N=N2)C=C1F	REAL250004655794	1	28	-1.0	-42.92	265.69	1.75	-41.17
O=C(COCC1=N[N-]N=N1)C1=CC2=CC=CC=C2N1	REAL250004655795	0	29	-1.0	-48.28	264.91	3.79	-44.49
O=C(COCC1=NN=N[N-]1)C1=CC2=CC=CC=C2N1	REAL250004655795	1	29	-1.0	-48.29	264.97	3.81	-44.48
ClC1=CC=C(C2=CC(COCC3=NN=N[N-]3)=NO2)C=C1	REAL250004655796	0	29	-1.0	-37.96	281.50	4.57	-33.39
ClC1=CC=C(C2=CC(COCC3=N[N-]N=N3)=NO2)C=C1	REAL250004655796	1	29	-1.0	-37.98	281.45	4.56	-33.42
FC1=NC=C(Br)C=C1COCC1=NN=N[N-]1	REAL250004655797	0	22	-1.0	-36.95	230.58	1.85	-35.10
FC1=NC=C(Br)C=C1COCC1=N[N-]N=N1	REAL250004655797	1	22	-1.0	-36.91	230.52	1.84	-35.07
FC(F)(F)C1=CC=CC(CCOCC2=N[N-]N=N2)=C1	REAL250004655798	0	29	-1.0	-38.90	270.75	4.67	-34.23
FC(F)(F)C1=CC=CC(CCOCC2=NN=N[N-]2)=C1	REAL250004655798	1	29	-1.0	-38.90	270.80	4.68	-34.22
FC(F)(F)C1=CC=CC(CCOCC2=N[N-]N=N2)=C1	REAL250004655799	0	29	-1.0	-38.90	270.75	4.67	-34.23
FC(F)(F)C1=CC=CC(CCOCC2=NN=N[N-]2)=C1	REAL250004655799	1	29	-1.0	-38.90	270.80	4.68	-34.22
CC(=O)OC1=CC(C)=CC(COCC2=N[N-]N=N2)=C1	REAL250004655800	0	32	-1.0	-44.32	287.78	4.80	-39.52
CC(=O)OC1=CC(C)=CC(COCC2=NN=N[N-]2)=C1	REAL250004655800	1	32	-1.0	-44.33	287.84	4.81	-39.52
O=C(COCC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004655801	0	31	-1.0	-49.06	265.11	4.25	-44.81
O=C(COCC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004655801	1	31	-1.0	-49.02	265.16	4.27	-44.75
N#CC1=CC=C(COCC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004655802	0	30	-1.0	-40.64	271.66	5.54	-35.10
N#CC1=CC=C(COCC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004655802	1	30	-1.0	-40.66	271.72	5.56	-35.10
CS(=O)(=O)C1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655803	0	29	-1.0	-46.37	258.90	0.52	-45.85
CS(=O)(=O)C1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655803	1	29	-1.0	-46.35	258.96	0.54	-45.81
CN1N=NC(COCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004655804	0	25	-1.0	-43.17	240.12	0.07	-43.10
CN1N=NC(COCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004655804	1	25	-1.0	-43.21	240.18	0.09	-43.12
CC1=C(S(C)(=O)=O)C=C(COCC2=N[N-]N=N2)O1	REAL250004655805	0	29	-1.0	-53.51	272.24	-0.71	-54.22
CC1=C(S(C)(=O)=O)C=C(COCC2=NN=N[N-]2)O1	REAL250004655805	1	29	-1.0	-53.57	272.30	-0.69	-54.26
FC1=CC(COCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL250004655806	0	26	-1.0	-38.13	255.66	3.96	-34.17
FC1=CC(COCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL250004655806	1	26	-1.0	-38.18	255.72	3.97	-34.21
COC(=O)CC1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655807	0	32	-1.0	-46.17	281.68	4.39	-41.78
COC(=O)CC1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655807	1	32	-1.0	-46.14	281.74	4.41	-41.73
O=[N+]([O-])C1=CC(COCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004655808	0	27	-1.0	-40.25	266.96	4.24	-36.01
O=[N+]([O-])C1=CC(COCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004655808	1	27	-1.0	-40.21	267.02	4.25	-35.96
FC(F)(F)OC1=CC=CC=C1COCC1=N[N-]N=N1	REAL250004655809	0	27	-1.0	-38.09	253.69	2.91	-35.18
FC(F)(F)OC1=CC=CC=C1COCC1=NN=N[N-]1	REAL250004655809	1	27	-1.0	-38.06	253.74	2.93	-35.13
CC1=CC=NC(COCC2=N[N-]N=N2)=C1Br	REAL250004655810	0	25	-1.0	-43.05	242.17	2.16	-40.89
CC1=CC=NC(COCC2=NN=N[N-]2)=C1Br	REAL250004655810	1	25	-1.0	-43.04	242.22	2.17	-40.87
O=C1CC(C2=CC=C(COCC3=N[N-]N=N3)C=C2)C1	REAL250004655811	0	32	-1.0	-42.40	279.02	4.59	-37.81
O=C1CC(C2=CC=C(COCC3=NN=N[N-]3)C=C2)C1	REAL250004655811	1	32	-1.0	-42.41	279.08	4.60	-37.81
FC(F)CC(COCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655812	0	32	-1.0	-38.47	278.97	5.03	-33.44
FC(F)CC(COCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655812	1	32	-1.0	-38.44	279.03	5.04	-33.40
FC1(F)CC12CCC(COCC1=N[N-]N=N1)CC2	REAL250004655813	0	33	-1.0	-40.29	277.25	4.71	-35.58
FC1(F)CC12CCC(COCC1=NN=N[N-]1)CC2	REAL250004655813	1	33	-1.0	-40.28	277.31	4.72	-35.56
FC1=CC=C(C2=CSC(COCC3=NN=N[N-]3)=N2)C=C1	REAL250004655814	0	29	-1.0	-43.09	280.08	3.71	-39.38
FC1=CC=C(C2=CSC(COCC3=N[N-]N=N3)=N2)C=C1	REAL250004655814	1	29	-1.0	-43.05	280.02	3.70	-39.35
FC(F)(F)C1CCCC(CCOCC2=N[N-]N=N2)C1	REAL250004655815	0	35	-1.0	-39.20	290.18	4.76	-34.44
FC(F)(F)C1CCCC(CCOCC2=NN=N[N-]2)C1	REAL250004655815	1	35	-1.0	-39.19	290.22	4.77	-34.42
CS(=O)(=O)C1=C(COCC2=N[N-]N=N2)SC=C1	REAL250004655816	0	26	-1.0	-39.90	252.74	-0.29	-40.19
CS(=O)(=O)C1=C(COCC2=NN=N[N-]2)SC=C1	REAL250004655816	1	26	-1.0	-39.90	252.80	-0.28	-40.18
FC1=CC=C(N2N=NN=C2COCC2=N[N-]N=N2)C=C1	REAL250004655817	0	28	-1.0	-41.29	261.18	2.42	-38.87
FC1=CC=C(N2N=NN=C2COCC2=NN=N[N-]2)C=C1	REAL250004655817	1	28	-1.0	-41.27	261.24	2.44	-38.83
CC(C)(C)OCCCCCCOCC1=N[N-]N=N1	REAL250004655818	0	41	-1.0	-39.14	326.43	4.17	-34.97
CC(C)(C)OCCCCCCOCC1=NN=N[N-]1	REAL250004655818	1	41	-1.0	-39.09	326.49	4.18	-34.91
FC1(F)C2CCC(COCC3=N[N-]N=N3)CCC21	REAL250004655819	0	33	-1.0	-39.94	266.63	4.50	-35.44
FC1(F)C2CCC(COCC3=NN=N[N-]3)CCC21	REAL250004655819	1	33	-1.0	-39.96	266.69	4.51	-35.45
FC1=CC=C(COCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004655820	0	26	-1.0	-39.38	254.84	3.95	-35.43
FC1=CC=C(COCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004655820	1	26	-1.0	-39.38	254.90	3.96	-35.42
FC(F)(F)C1CCCCC1COCC1=N[N-]N=N1	REAL250004655821	0	32	-1.0	-39.27	258.24	3.79	-35.48
FC(F)(F)C1CCCCC1COCC1=NN=N[N-]1	REAL250004655821	1	32	-1.0	-39.27	258.30	3.80	-35.47
FC(F)(F)C1=CC(COCC2=N[N-]N=N2)=CS1	REAL250004655822	0	23	-1.0	-38.47	241.14	3.03	-35.44
FC(F)(F)C1=CC(COCC2=NN=N[N-]2)=CS1	REAL250004655822	1	23	-1.0	-38.45	241.20	3.05	-35.40
FC(F)(F)C1=C(COCC2=N[N-]N=N2)C=CS1	REAL250004655823	0	23	-1.0	-37.29	235.08	3.05	-34.24
FC(F)(F)C1=C(COCC2=NN=N[N-]2)C=CS1	REAL250004655823	1	23	-1.0	-37.35	235.14	3.07	-34.28
CC1=C(COCC2=N[N-]N=N2)C(Br)=NO1	REAL250004655824	0	22	-1.0	-40.51	228.76	1.61	-38.90
CC1=C(COCC2=NN=N[N-]2)C(Br)=NO1	REAL250004655824	1	22	-1.0	-40.53	228.81	1.63	-38.90
CC(C)(C)OCCCCCCCOCC1=N[N-]N=N1	REAL250004655825	0	44	-1.0	-39.70	347.93	4.95	-34.75
CC(C)(C)OCCCCCCCOCC1=NN=N[N-]1	REAL250004655825	1	44	-1.0	-39.75	347.98	4.96	-34.79
FC1=C(Cl)C=CC(COCC2=N[N-]N=N2)=C1F	REAL250004655826	0	23	-1.0	-35.27	236.71	3.68	-31.59
FC1=C(Cl)C=CC(COCC2=NN=N[N-]2)=C1F	REAL250004655826	1	23	-1.0	-35.29	236.76	3.70	-31.59
CC1=CC(Br)=CC(C)=C1COCC1=N[N-]N=N1	REAL250004655827	0	29	-1.0	-38.63	266.49	4.61	-34.02
CC1=CC(Br)=CC(C)=C1COCC1=NN=N[N-]1	REAL250004655827	1	29	-1.0	-38.63	266.54	4.63	-34.00
C1=C(CC2=CC=CC=C2)ON=C1COCC1=N[N-]N=N1	REAL250004655828	0	32	-1.0	-40.03	288.10	4.90	-35.13
C1=C(CC2=CC=CC=C2)ON=C1COCC1=NN=N[N-]1	REAL250004655828	1	32	-1.0	-40.03	288.16	4.91	-35.12
FC(F)(F)C1=CSC=C1COCC1=N[N-]N=N1	REAL250004655829	0	23	-1.0	-37.85	234.66	2.92	-34.93
FC(F)(F)C1=CSC=C1COCC1=NN=N[N-]1	REAL250004655829	1	23	-1.0	-37.87	234.72	2.93	-34.94
COC1=CC(COCC2=N[N-]N=N2)=CC=C1OC(F)F	REAL250004655830	0	31	-1.0	-43.67	279.03	2.37	-41.30
COC1=CC(COCC2=NN=N[N-]2)=CC=C1OC(F)F	REAL250004655830	1	31	-1.0	-43.70	279.08	2.39	-41.31
FC(F)(F)[C@@H]1CC=CC[C@H]1COCC1=N[N-]N=N1	REAL250004655831	0	30	-1.0	-38.73	257.71	3.91	-34.82
FC(F)(F)[C@@H]1CC=CC[C@H]1COCC1=NN=N[N-]1	REAL250004655831	1	30	-1.0	-38.73	257.77	3.92	-34.81
C1=CC=C(CC2=CC=C(COCC3=N[N-]N=N3)C=C2)C=C1	REAL250004655832	0	36	-1.0	-40.96	313.32	7.36	-33.60
C1=CC=C(CC2=CC=C(COCC3=NN=N[N-]3)C=C2)C=C1	REAL250004655832	1	36	-1.0	-40.96	313.37	7.37	-33.59
FC(F)C(CCOCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004655833	0	32	-1.0	-41.17	276.60	4.93	-36.24
FC(F)C(CCOCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004655833	1	32	-1.0	-41.16	276.65	4.94	-36.22
C1=CN(CC2=CC=CC=C2)N=C1COCC1=N[N-]N=N1	REAL250004655834	0	33	-1.0	-43.75	293.83	4.54	-39.21
C1=CN(CC2=CC=CC=C2)N=C1COCC1=NN=N[N-]1	REAL250004655834	1	33	-1.0	-43.75	293.89	4.55	-39.20
CC(=O)NCC1=CC=C(COCC2=N[N-]N=N2)C=C1	REAL250004655835	0	33	-1.0	-44.56	292.70	1.92	-42.64
CC(=O)NCC1=CC=C(COCC2=NN=N[N-]2)C=C1	REAL250004655835	1	33	-1.0	-44.55	292.75	1.94	-42.61
O=[N+]([O-])C1=CC=CC(COCC2=N[N-]N=N2)=C1F	REAL250004655836	0	25	-1.0	-38.35	240.56	3.75	-34.60
O=[N+]([O-])C1=CC=CC(COCC2=NN=N[N-]2)=C1F	REAL250004655836	1	25	-1.0	-38.36	240.62	3.77	-34.59
CC1=C(COCC2=N[N-]N=N2)N=C(C2=CC=CC=C2C)O1	REAL250004655837	0	35	-1.0	-47.22	307.23	2.56	-44.66
CC1=C(COCC2=NN=N[N-]2)N=C(C2=CC=CC=C2C)O1	REAL250004655837	1	35	-1.0	-47.22	307.28	2.58	-44.64
CC(F)(F)C1=CC=CC(COCC2=N[N-]N=N2)=N1	REAL250004655838	0	28	-1.0	-37.80	257.44	3.02	-34.78
CC(F)(F)C1=CC=CC(COCC2=NN=N[N-]2)=N1	REAL250004655838	1	28	-1.0	-37.83	257.49	3.04	-34.79
FC(F)(F)C1=CC=C(CCOCC2=N[N-]N=N2)C=C1	REAL250004655839	0	29	-1.0	-37.82	270.75	4.68	-33.14
FC(F)(F)C1=CC=C(CCOCC2=NN=N[N-]2)C=C1	REAL250004655839	1	29	-1.0	-37.84	270.81	4.69	-33.15
C1=C(C2=CC=CC=C2)OC(COCC2=N[N-]N=N2)=N1	REAL250004655840	0	29	-1.0	-45.22	265.71	1.38	-43.84
C1=C(C2=CC=CC=C2)OC(COCC2=NN=N[N-]2)=N1	REAL250004655840	1	29	-1.0	-45.22	265.77	1.39	-43.83
COC1=NC2=CC=CC=C2C=C1COCC1=NN=N[N-]1	REAL250004655841	0	32	-1.0	-41.27	281.06	2.02	-39.25
COC1=NC2=CC=CC=C2C=C1COCC1=N[N-]N=N1	REAL250004655841	1	32	-1.0	-41.33	281.00	2.00	-39.33
CC1=C(COCC2=NN=N[N-]2)N=C(C2=CC=C(F)C=C2)O1	REAL250004655842	0	32	-1.0	-43.83	294.25	2.17	-41.66
CC1=C(COCC2=N[N-]N=N2)N=C(C2=CC=C(F)C=C2)O1	REAL250004655842	1	32	-1.0	-43.84	294.19	2.16	-41.68
CCC1=CC=C(C2=NC(COCC3=NN=N[N-]3)=C(C)O2)C=C1	REAL250004655843	0	38	-1.0	-45.89	331.27	3.58	-42.31
CCC1=CC=C(C2=NC(COCC3=N[N-]N=N3)=C(C)O2)C=C1	REAL250004655843	1	38	-1.0	-45.88	331.21	3.57	-42.31
CCCCSC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655844	0	36	-1.0	-41.17	315.20	6.33	-34.84
CCCCSC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655844	1	36	-1.0	-41.20	315.26	6.34	-34.86
C1=CC(COCC2=N[N-]N=N2)=CC(OCC2CC2)=C1	REAL250004655845	0	34	-1.0	-41.89	293.55	4.70	-37.19
C1=CC(COCC2=NN=N[N-]2)=CC(OCC2CC2)=C1	REAL250004655845	1	34	-1.0	-41.92	293.61	4.72	-37.20
CC1=CC(C(F)(F)F)=CC=C1COCC1=N[N-]N=N1	REAL250004655846	0	29	-1.0	-39.42	265.76	4.67	-34.75
CC1=CC(C(F)(F)F)=CC=C1COCC1=NN=N[N-]1	REAL250004655846	1	29	-1.0	-39.47	265.82	4.69	-34.78
COCCCC1=CC=CC(COCC2=N[N-]N=N2)=C1	REAL250004655847	0	36	-1.0	-41.09	308.58	4.18	-36.91
COCCCC1=CC=CC(COCC2=NN=N[N-]2)=C1	REAL250004655847	1	36	-1.0	-41.13	308.64	4.19	-36.94
CN1C=C(COCC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004655848	0	26	-1.0	-38.11	250.30	1.64	-36.47
CN1C=C(COCC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004655848	1	26	-1.0	-38.12	250.24	1.63	-36.49
FC(F)(F)C1=CSC(COCC2=N[N-]N=N2)=C1	REAL250004655849	0	23	-1.0	-38.65	240.64	3.00	-35.65
FC(F)(F)C1=CSC(COCC2=NN=N[N-]2)=C1	REAL250004655849	1	23	-1.0	-38.65	240.69	3.01	-35.64
ClC1=CC=CC(C2=CC(COCC3=NN=N[N-]3)=NO2)=C1	REAL250004655850	0	29	-1.0	-40.57	281.51	4.56	-36.01
ClC1=CC=CC(C2=CC(COCC3=N[N-]N=N3)=NO2)=C1	REAL250004655850	1	29	-1.0	-40.54	281.46	4.55	-35.99
FC1=CC=C(C2=CC(COCC3=NN=N[N-]3)=NO2)C=C1	REAL250004655851	0	29	-1.0	-38.32	271.18	4.12	-34.20
FC1=CC=C(C2=CC(COCC3=N[N-]N=N3)=NO2)C=C1	REAL250004655851	1	29	-1.0	-38.29	271.13	4.11	-34.18
FC1=CC=CC=C1C1=CC(COCC2=NN=N[N-]2)=NO1	REAL250004655852	0	29	-1.0	-41.59	272.84	4.18	-37.41
FC1=CC=CC=C1C1=CC(COCC2=N[N-]N=N2)=NO1	REAL250004655852	1	29	-1.0	-41.58	272.78	4.16	-37.42
BrC1=NC=CC=C1COCC1=NN=N[N-]1	REAL250004655853	0	22	-1.0	-38.32	222.96	1.77	-36.55
BrC1=NC=CC=C1COCC1=N[N-]N=N1	REAL250004655853	1	22	-1.0	-38.32	222.90	1.76	-36.56
FC(F)(F)C1=NC=CN=C1COCC1=N[N-]N=N1	REAL250004655854	0	24	-1.0	-44.56	233.78	0.22	-44.34
FC(F)(F)C1=NC=CN=C1COCC1=NN=N[N-]1	REAL250004655854	1	24	-1.0	-44.54	233.84	0.23	-44.31
NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL250004655855	0	21	-1.0	-44.72	220.97	-1.49	-46.21
NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL250004655855	1	21	-1.0	-44.71	221.03	-1.50	-46.21
C#CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL250004655856	0	26	-1.0	-43.63	270.21	1.06	-42.57
C#CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL250004655856	1	26	-1.0	-43.57	270.27	1.05	-42.52
CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL250004655857	0	24	-1.0	-43.62	243.39	-0.28	-43.90
CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL250004655857	1	24	-1.0	-43.62	243.45	-0.29	-43.91
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL250004655858	0	27	-1.0	-43.85	263.11	1.51	-42.34
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL250004655858	1	27	-1.0	-43.82	263.17	1.50	-42.32
CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL250004655859	0	27	-1.0	-43.26	264.44	0.57	-42.69
CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL250004655859	1	27	-1.0	-43.20	264.49	0.56	-42.64
O=S(=O)(C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655860	0	33	-1.0	-40.89	284.85	2.10	-38.79
O=S(=O)(C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655860	1	33	-1.0	-40.89	285.01	2.10	-38.79
CCN(CC)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655861	0	37	-1.0	-43.20	302.65	1.07	-42.13
CCN(CC)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655861	1	37	-1.0	-43.17	302.80	1.07	-42.10
O=S(=O)(N1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655862	0	35	-1.0	-39.59	288.30	0.47	-39.12
O=S(=O)(N1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655862	1	35	-1.0	-39.51	288.47	0.46	-39.05
CN(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655863	0	31	-1.0	-39.33	261.94	-0.70	-40.03
CN(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655863	1	31	-1.0	-39.26	262.10	-0.69	-39.95
CN1C=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL250004655864	0	33	-1.0	-44.34	289.43	-0.16	-44.50
CN1C=C(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL250004655864	1	33	-1.0	-44.29	289.60	-0.16	-44.45
CC(C)N(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655865	0	37	-1.0	-38.99	297.17	0.59	-38.40
CC(C)N(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655865	1	37	-1.0	-39.01	297.33	0.58	-38.43
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655866	0	32	-1.0	-42.24	279.87	0.36	-41.88
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655866	1	32	-1.0	-42.22	280.04	0.35	-41.87
CCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655867	0	32	-1.0	-40.23	270.24	0.61	-39.62
CCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655867	1	32	-1.0	-40.15	270.40	0.61	-39.54
CCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655868	0	35	-1.0	-40.12	291.76	1.41	-38.71
CCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655868	1	35	-1.0	-40.09	291.93	1.40	-38.69
COCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655869	0	33	-1.0	-41.22	282.41	-1.10	-42.32
COCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655869	1	33	-1.0	-41.21	282.58	-1.10	-42.31
CN1C=NC(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004655870	0	33	-1.0	-46.79	289.06	1.22	-45.57
CN1C=NC(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004655870	1	33	-1.0	-46.79	289.22	1.21	-45.58
N#CCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655871	0	33	-1.0	-46.23	291.12	1.14	-45.09
N#CCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655871	1	33	-1.0	-46.24	291.28	1.14	-45.10
CCOCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655872	0	36	-1.0	-41.30	304.27	-0.13	-41.43
CCOCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655872	1	36	-1.0	-41.28	304.43	-0.13	-41.41
N#CCCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655873	0	36	-1.0	-46.77	312.59	1.91	-44.86
N#CCCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655873	1	36	-1.0	-46.75	312.76	1.91	-44.84
CC1=NNC=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655874	0	33	-1.0	-45.23	280.49	-0.95	-46.18
CC1=NNC=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655874	1	33	-1.0	-45.21	280.65	-0.95	-46.16
O=S(=O)(CC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655875	0	33	-1.0	-46.19	279.69	1.41	-44.78
O=S(=O)(CC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655875	1	33	-1.0	-46.15	279.85	1.41	-44.74
CCC(C)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655876	0	38	-1.0	-39.75	304.23	2.01	-37.74
CCC(C)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655876	1	38	-1.0	-39.67	304.40	2.00	-37.67
CC(C)(C)OC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655877	0	35	-1.0	-38.80	275.07	3.20	-35.60
CC(C)(C)OC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655877	1	35	-1.0	-38.75	275.24	3.19	-35.56
CCN(CC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655878	0	36	-1.0	-43.23	274.32	3.25	-39.98
CCN(CC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655878	1	36	-1.0	-43.23	274.49	3.26	-39.97
O=S(=O)(C1=CNC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655879	0	30	-1.0	-46.56	266.18	-0.47	-47.03
O=S(=O)(C1=CNC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655879	1	30	-1.0	-46.49	266.35	-0.48	-46.97
COCC(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655880	0	36	-1.0	-40.21	294.61	-0.44	-40.65
COCC(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655880	1	36	-1.0	-40.13	294.78	-0.45	-40.58
CN(C1CC1)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655881	0	35	-1.0	-43.00	289.39	0.80	-42.20
CN(C1CC1)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655881	1	35	-1.0	-42.98	289.55	0.80	-42.18
O=S(=O)(C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655882	0	30	-1.0	-40.14	258.19	0.68	-39.46
O=S(=O)(C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655882	1	30	-1.0	-40.14	258.35	0.68	-39.46
O=S(=O)(CC1=NOC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655883	0	32	-1.0	-45.32	283.66	0.15	-45.17
O=S(=O)(CC1=NOC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655883	1	32	-1.0	-45.22	283.83	0.14	-45.08
CC(C)(C)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655884	0	38	-1.0	-39.45	300.16	2.04	-37.41
CC(C)(C)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655884	1	38	-1.0	-39.42	300.33	2.03	-37.39
CCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655885	0	35	-1.0	-40.12	291.76	1.41	-38.71
CCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655885	1	35	-1.0	-40.09	291.93	1.40	-38.69
COCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655886	0	36	-1.0	-41.38	303.94	-0.30	-41.68
COCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655886	1	36	-1.0	-41.39	304.10	-0.31	-41.70
O=S(=O)(CCCF)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655887	0	32	-1.0	-41.35	276.86	0.77	-40.58
O=S(=O)(CCCF)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655887	1	32	-1.0	-41.36	277.02	0.76	-40.60
CCN(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655888	0	34	-1.0	-39.20	284.21	0.21	-38.99
CCN(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655888	1	34	-1.0	-39.17	284.38	0.20	-38.97
C=CCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655889	0	33	-1.0	-40.27	283.05	1.18	-39.09
C=CCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655889	1	33	-1.0	-40.22	283.22	1.18	-39.04
O=S(=O)(CCC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655890	0	36	-1.0	-40.28	301.88	2.20	-38.08
O=S(=O)(CCC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655890	1	36	-1.0	-40.22	302.04	2.19	-38.03
O=S(=O)(CC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655891	0	36	-1.0	-40.07	296.92	1.92	-38.15
O=S(=O)(CC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655891	1	36	-1.0	-40.05	297.09	1.93	-38.12
CCC(C)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655892	0	38	-1.0	-39.75	304.23	2.01	-37.74
CCC(C)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655892	1	38	-1.0	-39.67	304.40	2.00	-37.67
CCCN(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655893	0	37	-1.0	-39.05	305.06	1.01	-38.04
CCCN(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655893	1	37	-1.0	-39.02	305.23	1.00	-38.02
CC(C)(C#N)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655894	0	36	-1.0	-41.92	299.42	1.63	-40.29
CC(C)(C#N)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655894	1	36	-1.0	-41.82	299.59	1.63	-40.19
O=C(N1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655895	0	35	-1.0	-42.33	268.34	1.21	-41.12
O=C(N1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655895	1	35	-1.0	-42.32	268.51	1.22	-41.10
CCN(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)C	REAL250004655896	0	39	-1.0	-44.26	285.13	3.57	-40.69
CCN(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)C	REAL250004655896	1	39	-1.0	-44.29	285.29	3.57	-40.72
CC(C)NS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655897	0	34	-1.0	-43.07	281.98	-0.81	-43.88
CC(C)NS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655897	1	34	-1.0	-43.03	282.15	-0.82	-43.85
CCCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655898	0	38	-1.0	-40.15	313.24	2.17	-37.98
CCCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655898	1	38	-1.0	-40.09	313.40	2.18	-37.91
CC1=CC=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004655899	0	33	-1.0	-44.25	288.85	0.98	-43.27
CC1=CC=C(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004655899	1	33	-1.0	-44.23	289.02	0.98	-43.25
CN1N=CC=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655900	0	33	-1.0	-42.87	283.46	-0.16	-43.03
CN1N=CC=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655900	1	33	-1.0	-42.85	283.62	-0.16	-43.01
O=S(=O)(C1COC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655901	0	31	-1.0	-40.76	265.45	-1.53	-42.29
O=S(=O)(C1COC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655901	1	31	-1.0	-40.68	265.62	-1.53	-42.21
O=S(=O)(C1=CC=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655902	0	30	-1.0	-42.04	267.56	0.13	-41.91
O=S(=O)(C1=CC=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655902	1	30	-1.0	-42.01	267.73	0.12	-41.89
CN1N=NC=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655903	0	32	-1.0	-43.62	277.67	-1.37	-44.99
CN1N=NC=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655903	1	32	-1.0	-43.61	277.83	-1.37	-44.98
CC(C)N(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655904	0	36	-1.0	-43.55	273.04	3.12	-40.43
CC(C)N(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655904	1	36	-1.0	-43.52	273.21	3.12	-40.40
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655905	0	32	-1.0	-42.24	279.87	0.36	-41.88
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655905	1	32	-1.0	-42.22	280.04	0.35	-41.87
O=C(OCC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655906	0	33	-1.0	-38.51	273.73	3.69	-34.82
O=C(OCC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655906	1	33	-1.0	-38.44	273.90	3.68	-34.76
CCCN(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655907	0	36	-1.0	-43.67	278.44	3.36	-40.31
CCCN(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655907	1	36	-1.0	-43.65	278.60	3.36	-40.29
C=C(C)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655908	0	33	-1.0	-40.32	283.07	1.06	-39.26
C=C(C)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655908	1	33	-1.0	-40.23	283.24	1.06	-39.17
CC(C)CN(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655909	0	39	-1.0	-43.62	293.03	3.90	-39.72
CC(C)CN(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655909	1	39	-1.0	-43.56	293.20	3.90	-39.66
CCC(C)(C)N(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655910	0	42	-1.0	-43.09	300.47	3.86	-39.23
CCC(C)(C)N(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655910	1	42	-1.0	-43.07	300.64	3.85	-39.22
O=C(OCC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655911	0	29	-1.0	-37.92	261.64	2.55	-35.37
O=C(OCC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655911	1	29	-1.0	-37.92	261.80	2.55	-35.37
COC(C)CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655912	0	36	-1.0	-41.47	301.55	-0.14	-41.61
COC(C)CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655912	1	36	-1.0	-41.41	301.72	-0.15	-41.56
O=C(N1CCSCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655913	0	35	-1.0	-41.44	278.09	3.42	-38.02
O=C(N1CCSCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655913	1	35	-1.0	-41.39	278.25	3.42	-37.97
O=S(=O)(CCCCF)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655914	0	35	-1.0	-41.70	298.33	1.53	-40.17
O=S(=O)(CCCCF)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655914	1	35	-1.0	-41.69	298.49	1.53	-40.16
O=S(=O)(C1=COC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655915	0	30	-1.0	-41.76	267.41	0.03	-41.73
O=S(=O)(C1=COC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655915	1	30	-1.0	-41.76	267.58	0.02	-41.74
O=S(=O)(N1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655916	0	32	-1.0	-44.89	271.54	-0.44	-45.33
O=S(=O)(N1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655916	1	32	-1.0	-44.87	271.71	-0.44	-45.31
CC1CCN(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004655917	0	40	-1.0	-42.04	298.29	4.27	-37.77
CC1CCN(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004655917	1	40	-1.0	-41.97	298.46	4.26	-37.71
CC1CCCN(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004655918	0	40	-1.0	-42.16	298.22	4.22	-37.94
CC1CCCN(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004655918	1	40	-1.0	-42.13	298.38	4.21	-37.92
O=C(OCC1CCCO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655919	0	37	-1.0	-40.23	299.22	2.45	-37.78
O=C(OCC1CCCO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655919	1	37	-1.0	-40.23	299.38	2.44	-37.79
CN(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCC1	REAL250004655920	0	40	-1.0	-43.22	296.08	4.35	-38.87
CN(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCC1	REAL250004655920	1	40	-1.0	-43.22	296.25	4.34	-38.88
CN(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL250004655921	0	41	-1.0	-43.13	305.39	2.58	-40.55
CN(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL250004655921	1	41	-1.0	-43.11	305.55	2.58	-40.53
O=C(OC1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655922	0	37	-1.0	-39.41	294.88	2.34	-37.07
O=C(OC1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655922	1	37	-1.0	-39.35	295.05	2.33	-37.02
CN(CC(F)(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655923	0	33	-1.0	-44.04	272.02	2.90	-41.14
CN(CC(F)(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655923	1	33	-1.0	-44.02	272.19	2.90	-41.12
O=C(OC1CCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655924	0	33	-1.0	-39.00	268.38	3.47	-35.53
O=C(OC1CCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655924	1	33	-1.0	-38.93	268.55	3.48	-35.45
O=S(=O)(C1=CC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655925	0	32	-1.0	-43.51	281.48	0.20	-43.31
O=S(=O)(C1=CC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655925	1	32	-1.0	-43.46	281.65	0.19	-43.27
O=C(OCC1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655926	0	42	-1.0	-38.28	325.28	5.47	-32.81
O=C(OCC1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655926	1	42	-1.0	-38.29	325.45	5.46	-32.83
C#CCCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655927	0	31	-1.0	-39.69	269.33	3.44	-36.25
C#CCCOC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655927	1	31	-1.0	-39.65	269.50	3.43	-36.22
O=S(=O)(C1=NC=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655928	1	30	-1.0	-45.52	266.50	-1.28	-46.80
O=C(OC1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655929	0	36	-1.0	-38.85	286.44	4.10	-34.75
O=C(OC1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655929	1	36	-1.0	-38.78	286.61	4.11	-34.67
C=CCCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655930	0	36	-1.0	-40.41	304.57	1.97	-38.44
C=CCCCS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655930	1	36	-1.0	-40.36	304.74	1.96	-38.40
O=S(=O)(CCl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655931	0	26	-1.0	-39.66	244.41	-0.36	-40.02
O=S(=O)(CCl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655931	1	26	-1.0	-39.60	244.57	-0.36	-39.96
CC1(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004655932	0	33	-1.0	-44.91	275.04	1.75	-43.16
CC1(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004655932	1	33	-1.0	-44.88	275.20	1.74	-43.14
CC(C)CC(C)OC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655933	0	41	-1.0	-39.03	321.72	4.86	-34.17
CC(C)CC(C)OC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655933	1	41	-1.0	-39.04	321.89	4.86	-34.18
O=C(OCCCF)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655934	0	32	-1.0	-39.28	270.14	3.05	-36.23
O=C(OCCCF)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655934	1	32	-1.0	-39.26	270.31	3.04	-36.22
CN1C=NN=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655935	0	32	-1.0	-47.77	276.72	1.16	-46.61
CN1C=NN=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655935	1	32	-1.0	-47.71	276.89	1.15	-46.56
O=S(=O)(CCCCl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655936	0	32	-1.0	-41.08	287.42	1.25	-39.83
O=S(=O)(CCCCl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655936	1	32	-1.0	-41.03	287.58	1.24	-39.79
CN1C=CC(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004655937	0	33	-1.0	-45.53	289.89	-0.33	-45.86
CN1C=CC(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL250004655937	1	33	-1.0	-45.48	290.06	-0.34	-45.82
CC1=NOC=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655938	0	32	-1.0	-43.51	279.62	0.04	-43.47
CC1=NOC=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655938	1	32	-1.0	-43.48	279.79	0.05	-43.43
O=C(NC1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655939	0	40	-1.0	-41.75	305.55	3.76	-37.99
O=C(NC1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655939	1	40	-1.0	-41.71	305.72	3.77	-37.94
CC1CCCCN1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655940	0	40	-1.0	-41.87	290.56	4.13	-37.74
CC1CCCCN1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655940	1	40	-1.0	-41.90	290.72	4.12	-37.78
O=C(NC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655941	0	34	-1.0	-42.34	277.42	3.90	-38.44
O=C(NC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655941	1	34	-1.0	-42.29	277.59	3.91	-38.38
CCCCNC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655942	0	36	-1.0	-40.83	286.30	2.63	-38.20
CCCCNC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655942	1	36	-1.0	-40.77	286.47	2.62	-38.15
CCC1(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004655943	0	36	-1.0	-38.97	280.15	1.77	-37.20
CCC1(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004655943	1	36	-1.0	-38.91	280.32	1.76	-37.15
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004655944	0	25	-1.0	-36.06	223.72	1.63	-34.43
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004655944	1	25	-1.0	-36.02	223.89	1.63	-34.39
C[C@@H]1CN(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL250004655945	0	41	-1.0	-41.57	310.66	2.71	-38.86
C[C@@H]1CN(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL250004655945	1	41	-1.0	-41.55	310.83	2.70	-38.85
CC(C)CCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655946	0	38	-1.0	-38.36	302.62	4.21	-34.15
CC(C)CCOC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655946	1	38	-1.0	-38.32	302.78	4.20	-34.12
O=C(OC1CCOC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655947	0	34	-1.0	-39.97	276.93	1.53	-38.44
O=C(OC1CCOC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655947	1	34	-1.0	-40.00	277.09	1.53	-38.47
CCCOCCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655948	0	39	-1.0	-39.87	319.04	3.07	-36.80
CCCOCCOC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655948	1	39	-1.0	-39.82	319.20	3.06	-36.76
O=C(OCCC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655949	0	32	-1.0	-39.32	281.68	3.30	-36.02
O=C(OCCC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655949	1	32	-1.0	-39.33	281.85	3.29	-36.04
O=C(OC1CCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655950	0	39	-1.0	-39.05	303.88	4.74	-34.31
O=C(OC1CCCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655950	1	39	-1.0	-39.05	304.05	4.74	-34.31
COCC(C)OC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655951	0	36	-1.0	-40.27	294.56	2.07	-38.20
COCC(C)OC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655951	1	36	-1.0	-40.20	294.73	2.07	-38.13
O=C(N1CCN(C2=NN=N[N-]2)CC1)N1CCC=C(Cl)C1	REAL250004655952	0	35	-1.0	-41.16	285.59	4.05	-37.11
O=C(N1CCN(C2=N[N-]N=N2)CC1)N1CCC=C(Cl)C1	REAL250004655952	1	35	-1.0	-41.13	285.76	4.05	-37.08
CC(C)NS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655953	0	34	-1.0	-43.07	281.98	-0.81	-43.88
CC(C)NS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655953	1	34	-1.0	-43.03	282.15	-0.82	-43.85
COCCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655954	0	33	-1.0	-40.04	275.68	1.30	-38.74
COCCOC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655954	1	33	-1.0	-39.94	275.85	1.30	-38.64
O=S(=O)(CC1=CC=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655955	0	32	-1.0	-43.86	283.64	0.42	-43.44
O=S(=O)(CC1=CC=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655955	1	32	-1.0	-43.81	283.81	0.42	-43.39
CN1C=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL250004655956	0	32	-1.0	-48.00	283.67	-1.54	-49.54
CN1C=C(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL250004655956	1	32	-1.0	-47.98	283.84	-1.55	-49.53
O=S(=O)(CC1CC12CC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655957	0	37	-1.0	-40.42	312.85	2.90	-37.52
O=S(=O)(CC1CC12CC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655957	1	37	-1.0	-40.38	313.01	2.89	-37.49
O=S(=O)(C1=CN=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655958	0	31	-1.0	-43.70	275.49	-1.63	-45.33
O=S(=O)(C1=CN=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655958	1	31	-1.0	-43.68	275.66	-1.64	-45.32
O=C(N1CC2CC2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655959	0	35	-1.0	-42.59	271.80	3.65	-38.94
O=C(N1CC2CC2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655959	1	35	-1.0	-42.57	271.96	3.65	-38.92
C=CCC1(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004655960	0	37	-1.0	-39.00	291.28	2.61	-36.39
C=CCC1(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL250004655960	1	37	-1.0	-38.94	291.44	2.61	-36.33
O=S(=O)(N1CCN(C2=NN=N[N-]2)CC1)C1(Cl)CC1	REAL250004655961	0	30	-1.0	-40.96	269.15	1.20	-39.76
O=S(=O)(N1CCN(C2=N[N-]N=N2)CC1)C1(Cl)CC1	REAL250004655961	1	30	-1.0	-40.93	269.31	1.20	-39.73
CCCCN(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655962	0	39	-1.0	-43.72	299.93	4.14	-39.58
CCCCN(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655962	1	39	-1.0	-43.65	300.10	4.15	-39.50
CN(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004655963	0	37	-1.0	-43.79	277.56	3.14	-40.65
CN(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC1	REAL250004655963	1	37	-1.0	-43.75	277.73	3.13	-40.62
O=C(N1C[C@@H]2CCC[C@@H]2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655964	0	41	-1.0	-41.99	302.56	4.45	-37.54
O=C(N1C[C@@H]2CCC[C@@H]2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655964	1	41	-1.0	-41.97	302.72	4.44	-37.53
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655965	0	36	-1.0	-44.82	293.15	2.16	-42.66
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655965	1	36	-1.0	-44.78	293.31	2.16	-42.62
O=S(=O)(C1=NC=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655966	1	30	-1.0	-45.52	266.50	-1.28	-46.80
CC(OC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004655967	0	32	-1.0	-37.91	280.24	3.19	-34.72
CC(OC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL250004655967	1	32	-1.0	-37.90	280.41	3.19	-34.71
CN(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL250004655968	0	34	-1.0	-40.91	261.91	2.94	-37.97
CN(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL250004655968	1	34	-1.0	-40.92	262.08	2.95	-37.97
O=C(N1CC2=CC=CC=C2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655969	0	38	-1.0	-42.56	299.97	4.77	-37.79
O=C(N1CC2=CC=CC=C2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655969	1	38	-1.0	-42.52	300.14	4.77	-37.75
O=C(N1C[C@@H]2CC[C@@H]2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655970	0	38	-1.0	-42.86	286.01	3.70	-39.16
O=C(N1C[C@@H]2CC[C@@H]2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655970	1	38	-1.0	-42.79	286.17	3.69	-39.10
CC1(C)CCCN(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004655971	0	43	-1.0	-42.59	313.71	4.95	-37.64
CC1(C)CCCN(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004655971	1	43	-1.0	-42.56	313.88	4.94	-37.62
CC1=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)N=CN1	REAL250004655972	0	33	-1.0	-46.17	285.26	0.16	-46.01
CC1=C(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CN1	REAL250004655972	1	33	-1.0	-46.15	285.43	0.15	-46.00
O=S(=O)(CCl)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655973	0	26	-1.0	-39.66	244.41	-0.36	-40.02
O=S(=O)(CCl)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655973	1	26	-1.0	-39.60	244.57	-0.36	-39.96
C#CCOCCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655974	0	35	-1.0	-42.19	303.32	2.80	-39.39
C#CCOCCOC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655974	1	35	-1.0	-42.17	303.49	2.80	-39.37
CS(C)(=O)=NC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655975	0	32	-1.0	-60.33	273.44	0.24	-60.09
CS(C)(=O)=NC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655975	1	32	-1.0	-60.29	273.60	0.23	-60.06
O=S(=O)(C1CC12CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655976	0	37	-1.0	-40.02	307.20	2.66	-37.36
O=S(=O)(C1CC12CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655976	1	37	-1.0	-39.94	307.37	2.65	-37.29
O=C(N=S1(=O)CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655977	0	36	-1.0	-59.20	298.18	1.64	-57.56
O=C(N=S1(=O)CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655977	1	36	-1.0	-59.15	298.34	1.63	-57.52
O=S(=O)(N1CC2CC1C2)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655978	0	36	-1.0	-43.94	295.98	1.05	-42.89
O=S(=O)(N1CC2CC1C2)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655978	1	36	-1.0	-43.90	296.14	1.05	-42.85
O=S(=O)(C1CC2(CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655979	0	37	-1.0	-39.85	306.99	2.67	-37.18
O=S(=O)(C1CC2(CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655979	1	37	-1.0	-39.76	307.15	2.66	-37.10
CC1=COC(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL250004655980	0	33	-1.0	-41.93	289.46	0.80	-41.13
CC1=COC(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL250004655980	1	33	-1.0	-41.90	289.63	0.79	-41.11
CC1=CC=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004655981	0	33	-1.0	-44.25	288.85	0.98	-43.27
CC1=CC=C(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL250004655981	1	33	-1.0	-44.23	289.02	0.98	-43.25
O=S(=O)(C1=NNC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655982	0	29	-1.0	-48.13	261.05	-0.94	-49.07
O=S(=O)(C1=NNC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655982	1	29	-1.0	-48.09	261.22	-0.94	-49.03
O=C(N1CCCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655983	0	33	-1.0	-50.91	261.07	3.30	-47.61
O=C(N1CCCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655983	1	33	-1.0	-50.88	261.23	3.30	-47.58
N#C[C@@H]1C[C@H]1CS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655984	0	34	-1.0	-45.28	301.35	1.85	-43.43
N#C[C@@H]1C[C@H]1CS(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655984	1	34	-1.0	-45.21	301.52	1.84	-43.37
CCOCCOC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655985	0	36	-1.0	-40.07	297.54	2.28	-37.79
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CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL250004656061	0	38	-1.0	-53.84	305.11	3.92	-49.92
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL250004656061	1	38	-1.0	-53.89	305.17	3.91	-49.98
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(C)=C1	REAL250004656062	0	38	-1.0	-51.78	309.50	4.04	-47.74
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(C)=C1	REAL250004656062	1	38	-1.0	-51.83	309.57	4.04	-47.79
O=C(NC1=CC=C(F)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004656063	0	32	-1.0	-52.93	279.14	2.85	-50.08
O=C(NC1=CC=C(F)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004656063	1	32	-1.0	-52.91	279.20	2.85	-50.06
CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL250004656064	0	38	-1.0	-51.15	309.58	4.14	-47.01
CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL250004656064	1	38	-1.0	-51.16	309.65	4.14	-47.02
CC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004656065	0	35	-1.0	-52.91	285.22	3.64	-49.27
CC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004656065	1	35	-1.0	-52.90	285.28	3.63	-49.27
CN1N=C(C2CC2)N=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004656066	0	36	-1.0	-44.85	301.09	3.37	-41.48
CN1N=C(C2CC2)N=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004656066	1	36	-1.0	-44.88	301.15	3.37	-41.51
CC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656067	0	32	-1.0	-44.66	269.76	1.83	-42.83
CC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656067	1	32	-1.0	-44.66	269.83	1.83	-42.83
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=NS1	REAL250004656068	0	25	-1.0	-46.35	234.04	0.13	-46.22
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=NS1	REAL250004656068	1	25	-1.0	-46.33	233.97	0.13	-46.20
NC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656069	0	30	-1.0	-55.89	259.78	-0.23	-56.12
NC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656069	1	30	-1.0	-55.85	259.72	-0.24	-56.09
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC=CS1	REAL250004656070	0	26	-1.0	-47.94	239.88	0.65	-47.29
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC=CS1	REAL250004656070	1	26	-1.0	-47.92	239.82	0.64	-47.28
O=C(NC1(C2=N[N-]N=N2)CCC1)N1CCCCCC1	REAL250004656071	0	38	-1.0	-51.16	285.71	4.31	-46.85
O=C(NC1(C2=NN=N[N-]2)CCC1)N1CCCCCC1	REAL250004656071	1	38	-1.0	-51.13	285.78	4.29	-46.84
CC(C)(C)OC(=O)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004656072	0	35	-1.0	-46.02	285.40	2.94	-43.08
CC(C)(C)OC(=O)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004656072	1	35	-1.0	-45.99	285.47	2.93	-43.06
O=C(NC1(C2=N[N-]N=N2)CCC1)C(=O)C1=CC=CN1	REAL250004656073	0	30	-1.0	-43.73	258.90	1.36	-42.37
O=C(NC1(C2=NN=N[N-]2)CCC1)C(=O)C1=CC=CN1	REAL250004656073	1	30	-1.0	-43.73	258.96	1.36	-42.37
CCN1C=C(C(=O)C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004656074	0	35	-1.0	-49.24	299.00	2.00	-47.24
CCN1C=C(C(=O)C(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004656074	1	35	-1.0	-49.23	299.07	1.99	-47.24
O=C(NC1(C2=N[N-]N=N2)CCC1)C(=O)C1CCSCC1	REAL250004656075	0	36	-1.0	-42.72	302.19	3.37	-39.35
O=C(NC1(C2=NN=N[N-]2)CCC1)C(=O)C1CCSCC1	REAL250004656075	1	36	-1.0	-42.72	302.26	3.36	-39.36
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC(C2CC2)=NO1	REAL250004656076	0	32	-1.0	-47.48	278.63	0.53	-46.95
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC(C2CC2)=NO1	REAL250004656076	1	32	-1.0	-47.51	278.69	0.54	-46.97
CC(C)(C)N1N=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656077	0	37	-1.0	-50.97	308.94	1.30	-49.67
CC(C)(C)N1N=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656077	1	37	-1.0	-50.95	308.88	1.30	-49.65
COCC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656078	0	36	-1.0	-46.24	303.41	0.82	-45.42
COCC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656078	1	36	-1.0	-46.26	303.48	0.82	-45.44
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN=CS1	REAL250004656079	0	25	-1.0	-47.00	234.94	-0.42	-47.42
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN=CS1	REAL250004656079	1	25	-1.0	-46.98	234.87	-0.42	-47.40
CC1(C2=NN=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)O2)CC1	REAL250004656080	0	35	-1.0	-48.43	300.57	-1.34	-49.77
CC1(C2=NN=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)O2)CC1	REAL250004656080	1	35	-1.0	-48.44	300.51	-1.35	-49.79
CC1CC1C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656081	0	35	-1.0	-47.40	300.00	1.21	-46.19
CC1CC1C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656081	1	35	-1.0	-47.42	300.07	1.21	-46.21
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN=C(C2CC2)O1	REAL250004656082	0	32	-1.0	-48.35	278.94	-1.75	-50.10
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN=C(C2CC2)O1	REAL250004656082	1	32	-1.0	-48.31	279.00	-1.75	-50.06
CC(C)(C)C1=NN=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)O1	REAL250004656083	0	37	-1.0	-47.99	309.46	-1.50	-49.49
CC(C)(C)C1=NN=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)O1	REAL250004656083	1	37	-1.0	-48.00	309.39	-1.51	-49.51
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)N=CN1	REAL250004656084	0	29	-1.0	-63.45	252.23	-0.26	-63.71
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)N=CN1	REAL250004656084	1	29	-1.0	-63.49	252.30	-0.26	-63.75
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C2N=CNC2=NC=N1	REAL250004656085	0	31	-1.0	-57.93	269.31	2.40	-55.53
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C2N=CNC2=NC=N1	REAL250004656085	1	31	-1.0	-57.91	269.25	2.40	-55.51
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN=C(NC2CC2)O1	REAL250004656086	0	34	-1.0	-48.90	294.93	-2.81	-51.71
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN=C(NC2CC2)O1	REAL250004656086	1	34	-1.0	-48.87	294.86	-2.81	-51.68
CCC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656087	0	31	-1.0	-46.93	268.73	-0.38	-47.31
CCC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656087	1	31	-1.0	-46.87	268.79	-0.38	-47.25
COC1=NC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656088	0	32	-1.0	-47.72	276.18	-1.64	-49.36
COC1=NC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656088	1	32	-1.0	-47.74	276.12	-1.64	-49.38
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)CCN1C(C)C	REAL250004656089	0	42	-1.0	-51.48	323.89	4.44	-47.04
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)CCN1C(C)C	REAL250004656089	1	42	-1.0	-51.47	323.96	4.43	-47.04
O=C(NC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004656090	0	34	-1.0	-44.95	289.12	1.77	-43.18
O=C(NC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004656090	1	34	-1.0	-44.96	289.18	1.76	-43.20
CNC1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656091	0	33	-1.0	-56.29	279.84	0.68	-55.61
CNC1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656091	1	33	-1.0	-56.31	279.77	0.68	-55.63
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=N1	REAL250004656092	0	34	-1.0	-52.09	283.17	1.58	-50.51
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL250004656092	1	34	-1.0	-52.17	283.24	1.57	-50.60
CCNC1=NN=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)O1	REAL250004656093	0	33	-1.0	-49.10	284.66	-3.74	-52.84
CCNC1=NN=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)O1	REAL250004656093	1	33	-1.0	-49.11	284.59	-3.75	-52.86
O=C(NC1=CC=NC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004656094	0	31	-1.0	-51.77	261.57	0.97	-50.80
O=C(NC1=CC=NC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004656094	1	31	-1.0	-51.78	261.63	0.96	-50.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC2=CC=CC=C2O1	REAL250004656095	0	32	-1.0	-53.21	277.56	0.84	-52.37
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC2=CC=CC=C2O1	REAL250004656095	1	32	-1.0	-53.18	277.49	0.84	-52.34
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C2NC=CC=C12	REAL250004656096	0	33	-1.0	-71.46	277.08	2.84	-68.62
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C2NC=CC=C12	REAL250004656096	1	33	-1.0	-71.45	277.01	2.84	-68.61
CC1(C2=NC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=NO2)CC1	REAL250004656097	0	35	-1.0	-52.24	299.15	1.17	-51.07
CC1(C2=NC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=NO2)CC1	REAL250004656097	1	35	-1.0	-52.25	299.08	1.17	-51.08
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCC1	REAL250004656098	0	41	-1.0	-46.38	326.38	4.62	-41.76
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCC1	REAL250004656098	1	41	-1.0	-46.43	326.43	4.63	-41.80
CN(CC1=NC=CN1C(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004656099	0	35	-1.0	-56.79	303.59	3.93	-52.86
CN(CC1=NC=CN1C(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004656099	1	35	-1.0	-56.83	303.65	3.95	-52.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC(=O)NC2=C1	REAL250004656100	0	32	-1.0	-52.02	284.81	0.88	-51.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC(=O)NC2=C1	REAL250004656100	1	32	-1.0	-52.01	284.87	0.89	-51.12
CC(C)CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656101	0	43	-1.0	-46.69	342.49	5.08	-41.61
CC(C)CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656101	1	43	-1.0	-46.69	342.55	5.09	-41.60
CCCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656102	0	40	-1.0	-46.70	324.92	4.57	-42.13
CCCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656102	1	40	-1.0	-46.71	324.98	4.59	-42.12
CCCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656103	0	40	-1.0	-35.44	335.51	4.36	-31.08
CCCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656103	1	40	-1.0	-35.48	335.58	4.39	-31.09
CC(C)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656104	0	40	-1.0	-46.72	320.99	4.30	-42.42
CC(C)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656104	1	40	-1.0	-46.72	321.05	4.31	-42.41
CC(C)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656105	0	40	-1.0	-35.43	331.58	4.09	-31.34
CC(C)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656105	1	40	-1.0	-35.40	331.65	4.11	-31.29
NC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656106	0	35	-1.0	-59.77	302.39	-0.56	-60.33
NC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656106	1	35	-1.0	-59.76	302.45	-0.54	-60.30
CC1=CC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004656107	0	38	-1.0	-53.52	318.79	4.70	-48.82
CC1=CC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004656107	1	38	-1.0	-53.50	318.84	4.71	-48.79
CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656108	0	37	-1.0	-34.87	315.76	3.36	-31.51
CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656108	1	37	-1.0	-34.81	315.83	3.37	-31.44
CC(C)COCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656109	0	41	-1.0	-46.53	337.80	2.76	-43.77
CC(C)COCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656109	1	41	-1.0	-46.54	337.86	2.78	-43.76
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004656110	0	35	-1.0	-47.56	306.17	0.19	-47.37
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004656110	1	35	-1.0	-47.59	306.23	0.20	-47.39
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C(F)C=C1	REAL250004656111	0	36	-1.0	-48.46	314.94	1.16	-47.30
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C(F)C=C1	REAL250004656111	1	36	-1.0	-48.50	314.99	1.17	-47.33
COCCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656112	0	36	-1.0	-47.76	311.74	-1.97	-49.73
COCCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656112	1	36	-1.0	-47.76	311.80	-1.95	-49.71
CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656113	0	37	-1.0	-35.67	299.76	5.52	-30.15
CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656113	1	37	-1.0	-35.66	299.83	5.53	-30.13
CN(C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004656114	0	40	-1.0	-48.73	325.98	0.94	-47.79
CN(C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004656114	1	40	-1.0	-48.77	326.03	0.95	-47.82
CN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656115	0	35	-1.0	-46.42	313.01	6.10	-40.32
CN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656115	1	35	-1.0	-46.44	313.07	6.11	-40.33
CN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656116	0	34	-1.0	-48.19	291.02	3.81	-44.38
CN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656116	1	34	-1.0	-48.19	290.96	3.80	-44.39
CN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656117	0	34	-1.0	-37.36	299.27	4.21	-33.15
CN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656117	1	34	-1.0	-37.44	299.20	4.19	-33.25
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656118	0	35	-1.0	-46.13	300.49	4.16	-41.97
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656118	1	35	-1.0	-46.13	300.54	4.17	-41.96
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004656119	0	35	-1.0	-35.58	311.08	3.94	-31.64
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004656119	1	35	-1.0	-35.57	311.15	3.95	-31.62
O=C(NC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656120	0	29	-1.0	-36.01	263.64	3.15	-32.86
O=C(NC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656120	1	29	-1.0	-36.06	263.58	3.14	-32.92
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656121	0	32	-1.0	-36.10	285.35	3.83	-32.27
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656121	1	32	-1.0	-36.33	284.98	3.82	-32.51
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656122	0	32	-1.0	-36.06	281.47	4.02	-32.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656122	1	32	-1.0	-36.08	281.40	4.00	-32.08
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656123	0	33	-1.0	-52.35	282.49	2.66	-49.69
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656123	1	33	-1.0	-52.31	282.56	2.67	-49.64
COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656124	0	33	-1.0	-38.84	293.14	2.45	-36.39
COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656124	1	33	-1.0	-38.90	293.07	2.44	-36.46
CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004656125	0	35	-1.0	-48.42	288.77	4.80	-43.62
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004656125	1	35	-1.0	-48.43	288.82	4.81	-43.62
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL250004656126	0	35	-1.0	-36.18	299.17	4.57	-31.61
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL250004656126	1	35	-1.0	-36.24	299.11	4.56	-31.68
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656127	0	35	-1.0	-48.31	292.19	4.88	-43.43
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656127	1	35	-1.0	-48.28	292.25	4.89	-43.39
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004656128	0	35	-1.0	-36.14	302.87	4.68	-31.46
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004656128	1	35	-1.0	-36.16	302.80	4.67	-31.49
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004656129	0	35	-1.0	-48.53	291.68	4.56	-43.97
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004656129	1	35	-1.0	-48.53	291.74	4.58	-43.95
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL250004656130	0	35	-1.0	-36.28	302.04	4.37	-31.91
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL250004656130	1	35	-1.0	-36.32	301.97	4.36	-31.96
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656131	0	36	-1.0	-49.51	304.64	3.57	-45.94
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656131	1	36	-1.0	-49.49	304.69	3.58	-45.91
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656132	0	36	-1.0	-47.72	308.59	2.78	-44.94
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656132	1	36	-1.0	-47.71	308.65	2.79	-44.92
COC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656133	0	36	-1.0	-48.25	307.53	2.82	-45.43
COC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656133	1	36	-1.0	-48.29	307.59	2.83	-45.46
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC)=C1	REAL250004656134	0	37	-1.0	-47.59	310.49	2.07	-45.52
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC)=C1	REAL250004656134	1	37	-1.0	-47.63	310.55	2.09	-45.54
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004656135	0	33	-1.0	-51.90	298.80	3.20	-48.70
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004656135	1	33	-1.0	-51.88	298.86	3.22	-48.66
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(F)C=C1	REAL250004656136	0	35	-1.0	-49.01	306.99	4.32	-44.69
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(F)C=C1	REAL250004656136	1	35	-1.0	-49.02	307.05	4.33	-44.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1	REAL250004656137	0	32	-1.0	-45.89	285.49	3.55	-42.34
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1	REAL250004656137	1	32	-1.0	-45.88	285.55	3.56	-42.32
O=C(NCC1=CC=C(F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656138	0	32	-1.0	-35.70	296.08	3.33	-32.37
O=C(NCC1=CC=C(F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656138	1	32	-1.0	-35.64	296.15	3.34	-32.30
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=C1	REAL250004656139	0	33	-1.0	-53.52	288.81	0.19	-53.33
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=C1	REAL250004656139	1	33	-1.0	-53.57	288.87	0.20	-53.37
O=C(NC1=NC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656140	0	25	-1.0	-38.53	250.15	1.75	-36.78
O=C(NC1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656140	1	25	-1.0	-38.56	250.09	1.74	-36.82
CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656141	0	35	-1.0	-35.23	285.85	4.44	-30.79
CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656141	1	35	-1.0	-35.18	285.92	4.44	-30.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1	REAL250004656142	0	30	-1.0	-34.96	255.62	1.45	-33.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1	REAL250004656142	1	30	-1.0	-35.01	255.74	1.47	-33.54
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656143	0	36	-1.0	-50.04	291.65	2.49	-47.55
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656143	1	36	-1.0	-50.01	291.71	2.50	-47.51
CC(C)(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656144	0	41	-1.0	-48.06	329.44	5.67	-42.39
CC(C)(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656144	1	41	-1.0	-48.03	329.50	5.69	-42.34
O=C(CCCC1=N[N-]N=N1)NCCCN1CCCC1=O	REAL250004656145	0	39	-1.0	-53.76	326.73	2.31	-51.45
O=C(CCCC1=NN=N[N-]1)NCCCN1CCCC1=O	REAL250004656145	1	39	-1.0	-53.81	326.78	2.32	-51.49
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CC=C1F	REAL250004656148	0	33	-1.0	-50.08	296.45	2.27	-47.81
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=CC=C1F	REAL250004656148	1	33	-1.0	-50.07	296.50	2.28	-47.79
CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656149	0	35	-1.0	-34.93	279.22	4.48	-30.45
CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656149	1	35	-1.0	-34.91	279.29	4.49	-30.42
CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004656150	0	38	-1.0	-46.35	296.33	4.42	-41.93
CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004656150	1	38	-1.0	-46.34	296.39	4.43	-41.91
CC1CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656151	0	38	-1.0	-35.28	306.92	4.21	-31.07
CC1CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656151	1	38	-1.0	-35.22	306.99	4.23	-30.99
CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656152	0	35	-1.0	-46.04	296.21	4.28	-41.76
CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656152	1	35	-1.0	-46.03	296.26	4.29	-41.74
CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656153	0	35	-1.0	-35.49	306.81	4.06	-31.43
CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656153	1	35	-1.0	-35.45	306.88	4.06	-31.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=C1	REAL250004656154	0	33	-1.0	-49.58	292.53	2.92	-46.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=C1	REAL250004656154	1	33	-1.0	-49.54	292.59	2.94	-46.60
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004656155	0	35	-1.0	-46.70	302.97	4.38	-42.32
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004656155	1	35	-1.0	-46.70	303.03	4.39	-42.31
CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656156	0	35	-1.0	-48.35	313.00	6.11	-42.24
CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656156	1	35	-1.0	-48.42	313.06	6.12	-42.30
CN(CC1=CC=CC=C1Cl)C(=O)CCCC1=N[N-]N=N1	REAL250004656157	0	35	-1.0	-48.20	308.15	6.64	-41.56
CN(CC1=CC=CC=C1Cl)C(=O)CCCC1=NN=N[N-]1	REAL250004656157	1	35	-1.0	-48.19	308.21	6.66	-41.53
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL250004656158	0	35	-1.0	-52.30	299.58	4.53	-47.77
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL250004656158	1	35	-1.0	-52.32	299.63	4.55	-47.77
CC1=CC=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004656159	0	35	-1.0	-39.45	307.53	4.94	-34.51
CC1=CC=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004656159	1	35	-1.0	-39.39	307.60	4.96	-34.43
CN(CC1=CC=CO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656160	0	32	-1.0	-38.83	285.62	4.12	-34.71
CN(CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656160	1	32	-1.0	-38.83	285.68	4.14	-34.69
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004656161	0	35	-1.0	-46.22	313.30	4.83	-41.39
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004656161	1	35	-1.0	-46.25	313.35	4.85	-41.40
CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656162	0	28	-1.0	-45.39	259.27	2.10	-43.29
CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656162	1	28	-1.0	-45.41	259.33	2.12	-43.29
CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004656163	0	28	-1.0	-35.37	269.83	1.90	-33.47
CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004656163	1	28	-1.0	-35.33	269.90	1.91	-33.42
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1F	REAL250004656164	0	32	-1.0	-47.89	284.75	3.50	-44.39
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1F	REAL250004656164	1	32	-1.0	-47.89	284.81	3.51	-44.38
O=C(NCC1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656165	0	32	-1.0	-37.54	295.34	3.29	-34.25
O=C(NCC1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656165	1	32	-1.0	-37.51	295.41	3.29	-34.22
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1	REAL250004656166	0	32	-1.0	-46.07	295.81	3.99	-42.08
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1	REAL250004656166	1	32	-1.0	-46.10	295.87	4.00	-42.10
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1OC	REAL250004656167	0	37	-1.0	-49.90	311.74	2.56	-47.34
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1OC	REAL250004656167	1	37	-1.0	-49.93	311.79	2.57	-47.36
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656168	0	36	-1.0	-47.04	308.58	2.78	-44.26
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656168	1	36	-1.0	-47.07	308.64	2.79	-44.28
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004656169	0	37	-1.0	-51.52	311.99	1.97	-49.55
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004656169	1	37	-1.0	-51.54	312.05	1.98	-49.56
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004656170	0	35	-1.0	-48.42	296.08	4.69	-43.73
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004656170	1	35	-1.0	-48.46	296.14	4.71	-43.75
CC1=CC(C)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656171	0	35	-1.0	-36.37	306.74	4.50	-31.87
CC1=CC(C)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656171	1	35	-1.0	-36.40	306.67	4.49	-31.91
NC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656172	0	36	-1.0	-55.82	292.49	0.27	-55.55
NC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656172	1	36	-1.0	-55.87	292.54	0.29	-55.58
O=C(CCCC1=N[N-]N=N1)NCCN1CCOCC1	REAL250004656173	0	38	-1.0	-48.10	307.51	-1.06	-49.16
O=C(CCCC1=NN=N[N-]1)NCCN1CCOCC1	REAL250004656173	1	38	-1.0	-48.10	307.57	-1.05	-49.15
O=C(NC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656174	0	32	-1.0	-35.11	273.79	2.42	-32.69
O=C(NC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656174	1	32	-1.0	-35.14	273.86	2.43	-32.71
O=C(CCCC1=N[N-]N=N1)NC1CCCCCCC1	REAL250004656175	0	41	-1.0	-47.06	303.71	3.97	-43.09
O=C(CCCC1=NN=N[N-]1)NC1CCCCCCC1	REAL250004656175	1	41	-1.0	-47.10	303.76	3.99	-43.11
COC1=CC=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656176	0	36	-1.0	-48.15	303.23	3.45	-44.70
COC1=CC=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656176	1	36	-1.0	-48.21	303.29	3.46	-44.75
CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656177	0	38	-1.0	-48.44	316.24	6.50	-41.94
CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656177	1	38	-1.0	-48.44	316.30	6.52	-41.92
CCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656178	0	34	-1.0	-35.30	284.85	2.64	-32.66
CCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656178	1	34	-1.0	-35.26	284.93	2.65	-32.61
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004656179	0	32	-1.0	-51.36	279.71	4.07	-47.29
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004656179	1	32	-1.0	-51.34	279.77	4.08	-47.26
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL250004656180	0	32	-1.0	-37.53	290.65	3.86	-33.67
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL250004656180	1	32	-1.0	-37.56	290.58	3.84	-33.72
CCC1(C)NC(=O)N(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004656181	0	37	-1.0	-55.63	317.02	0.18	-55.45
CCC1(C)NC(=O)N(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004656181	1	37	-1.0	-55.65	317.08	0.19	-55.46
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CC=C1	REAL250004656182	0	36	-1.0	-48.09	316.51	2.92	-45.17
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CC=C1	REAL250004656182	1	36	-1.0	-48.15	316.56	2.93	-45.22
CCC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656183	0	41	-1.0	-46.66	339.46	5.75	-40.91
CCC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656183	1	41	-1.0	-46.67	339.52	5.77	-40.90
CC1=CC=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656184	0	38	-1.0	-46.82	310.90	4.81	-42.01
CC1=CC=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656184	1	38	-1.0	-46.78	310.96	4.83	-41.95
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656185	0	37	-1.0	-49.70	305.83	3.77	-45.93
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656185	1	37	-1.0	-49.73	305.88	3.79	-45.94
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004656186	0	32	-1.0	-36.08	285.05	3.83	-32.25
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004656186	1	32	-1.0	-36.07	284.98	3.82	-32.25
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656187	0	33	-1.0	-49.69	282.51	2.65	-47.04
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656187	1	33	-1.0	-49.68	282.57	2.67	-47.01
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004656188	0	33	-1.0	-36.80	293.16	2.45	-34.35
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004656188	1	33	-1.0	-36.84	293.09	2.43	-34.41
CSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656189	0	33	-1.0	-52.09	293.20	4.38	-47.71
CSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656189	1	33	-1.0	-52.08	293.26	4.40	-47.68
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1	REAL250004656190	0	35	-1.0	-48.96	299.13	5.64	-43.32
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL250004656190	1	35	-1.0	-48.96	299.19	5.66	-43.30
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004656191	0	34	-1.0	-46.91	292.97	2.73	-44.18
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004656191	1	34	-1.0	-46.96	293.03	2.74	-44.22
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004656192	0	34	-1.0	-38.36	303.56	2.53	-35.83
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004656192	1	34	-1.0	-38.32	303.63	2.54	-35.78
CC(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656193	0	34	-1.0	-45.23	298.66	3.38	-41.85
CC(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656193	1	34	-1.0	-45.22	298.72	3.40	-41.82
CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656194	0	28	-1.0	-52.51	261.49	2.75	-49.76
CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656194	1	28	-1.0	-52.47	261.44	2.74	-49.73
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004656195	0	28	-1.0	-38.55	272.07	2.54	-36.01
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004656195	1	28	-1.0	-38.56	272.00	2.54	-36.02
CC1=NN(CCCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656196	0	41	-1.0	-50.38	344.76	3.28	-47.10
CC1=NN(CCCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656196	1	41	-1.0	-50.37	344.82	3.29	-47.08
CCOC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004656197	0	41	-1.0	-51.37	333.27	5.14	-46.23
CCOC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004656197	1	41	-1.0	-51.38	333.33	5.15	-46.23
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656198	0	38	-1.0	-51.74	311.42	4.24	-47.50
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656198	1	38	-1.0	-51.75	311.48	4.25	-47.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004656199	0	35	-1.0	-49.02	307.44	4.47	-44.55
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004656199	1	35	-1.0	-49.04	307.50	4.48	-44.56
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004656200	0	35	-1.0	-46.76	309.27	4.43	-42.33
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004656200	1	35	-1.0	-46.78	309.33	4.45	-42.33
CC(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656201	0	34	-1.0	-35.23	287.60	2.56	-32.67
CC(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656201	1	34	-1.0	-35.13	287.67	2.58	-32.55
CCCCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656202	0	41	-1.0	-46.49	339.20	2.84	-43.65
CCCCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656202	1	41	-1.0	-46.50	339.25	2.86	-43.64
CC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1C	REAL250004656203	0	41	-1.0	-46.96	317.97	4.49	-42.47
CC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1C	REAL250004656203	1	41	-1.0	-47.00	318.02	4.51	-42.49
CCCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656204	0	37	-1.0	-35.78	306.24	5.83	-29.95
CCCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656204	1	37	-1.0	-35.80	306.31	5.85	-29.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)CC1	REAL250004656205	0	33	-1.0	-36.54	275.65	0.54	-36.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)CC1	REAL250004656205	1	33	-1.0	-36.52	275.71	0.54	-35.98
CC(C)OC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656206	0	37	-1.0	-53.24	316.74	2.85	-50.39
CC(C)OC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656206	1	37	-1.0	-53.27	316.80	2.87	-50.40
CC(=O)NC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656208	0	36	-1.0	-52.36	309.13	2.26	-50.10
CC(=O)NC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656208	1	36	-1.0	-52.36	309.19	2.28	-50.08
CNC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656209	0	32	-1.0	-43.78	283.54	0.87	-42.91
CNC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656209	1	32	-1.0	-43.76	283.61	0.88	-42.88
CC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656211	0	39	-1.0	-53.73	315.09	1.92	-51.81
CC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656211	1	39	-1.0	-53.75	315.15	1.93	-51.82
CN(C)C(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656215	0	35	-1.0	-54.54	293.62	2.39	-52.15
CN(C)C(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656215	1	35	-1.0	-54.54	293.68	2.41	-52.13
CN(C)C(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656216	0	35	-1.0	-43.95	301.31	2.79	-41.16
CN(C)C(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656216	1	35	-1.0	-43.88	301.38	2.80	-41.08
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656217	0	35	-1.0	-48.13	295.88	4.80	-43.33
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656217	1	35	-1.0	-48.18	295.94	4.82	-43.36
CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004656218	0	35	-1.0	-35.79	306.54	4.60	-31.19
CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004656218	1	35	-1.0	-35.86	306.47	4.58	-31.28
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(Cl)=C1	REAL250004656219	0	35	-1.0	-48.63	317.31	4.76	-43.87
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(Cl)=C1	REAL250004656219	1	35	-1.0	-48.64	317.37	4.77	-43.87
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCCC2C1	REAL250004656220	0	42	-1.0	-46.96	318.66	5.92	-41.04
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCCC2C1	REAL250004656220	1	42	-1.0	-46.93	318.71	5.94	-40.99
CCN(CC)C(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656221	0	41	-1.0	-54.49	335.40	4.31	-50.18
CCN(CC)C(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656221	1	41	-1.0	-54.46	335.45	4.33	-50.13
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CC=C1O	REAL250004656222	0	34	-1.0	-49.25	300.73	0.72	-48.53
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=CC=C1O	REAL250004656222	1	34	-1.0	-49.30	300.79	0.73	-48.57
O=C(CCCC1=N[N-]N=N1)NCCCOCC1CC1	REAL250004656223	0	39	-1.0	-46.77	327.87	2.84	-43.93
O=C(CCCC1=NN=N[N-]1)NCCCOCC1CC1	REAL250004656223	1	39	-1.0	-46.75	327.93	2.86	-43.89
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCCCC1	REAL250004656224	0	45	-1.0	-46.45	358.10	3.93	-42.52
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCCCC1	REAL250004656224	1	45	-1.0	-46.50	358.15	3.95	-42.55
O=C(CCCC1=N[N-]N=N1)NCCSC1=CC=CC=C1	REAL250004656227	0	36	-1.0	-49.00	319.38	4.69	-44.31
O=C(CCCC1=NN=N[N-]1)NCCSC1=CC=CC=C1	REAL250004656227	1	36	-1.0	-49.01	319.44	4.71	-44.30
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656228	0	40	-1.0	-47.11	331.60	3.90	-43.21
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656228	1	40	-1.0	-47.12	331.66	3.92	-43.20
O=C(CCCC1=N[N-]N=N1)NCCC1=NC2=CC=CC=C2N1	REAL250004656229	0	38	-1.0	-56.43	326.83	2.95	-53.48
O=C(CCCC1=NN=N[N-]1)NCCC1=NC2=CC=CC=C2N1	REAL250004656229	1	38	-1.0	-56.43	326.89	2.96	-53.47
CC(C)NC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656230	0	38	-1.0	-53.84	317.97	2.13	-51.71
CC(C)NC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656230	1	38	-1.0	-53.83	318.02	2.14	-51.69
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004656231	0	35	-1.0	-47.47	313.30	4.82	-42.65
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004656231	1	35	-1.0	-47.47	313.35	4.84	-42.63
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCCC1	REAL250004656232	0	39	-1.0	-45.86	317.68	2.47	-43.39
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCCC1	REAL250004656232	1	39	-1.0	-45.86	317.73	2.48	-43.38
O=C(CCCC1=N[N-]N=N1)N1CCOC2CCCCC21	REAL250004656233	0	40	-1.0	-46.22	304.45	3.63	-42.59
O=C(CCCC1=NN=N[N-]1)N1CCOC2CCCCC21	REAL250004656233	1	40	-1.0	-46.25	304.51	3.65	-42.60
O=C(CCCC1=N[N-]N=N1)NNC(=O)C(=O)NC1CC1	REAL250004656234	0	34	-1.0	-47.60	305.39	-1.52	-49.12
O=C(CCCC1=NN=N[N-]1)NNC(=O)C(=O)NC1CC1	REAL250004656234	1	34	-1.0	-47.57	305.44	-1.51	-49.08
CC(C)NC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656235	0	35	-1.0	-47.01	298.77	-0.23	-47.24
CC(C)NC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656235	1	35	-1.0	-47.05	298.82	-0.21	-47.26
CC(C)NC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656236	0	35	-1.0	-40.18	309.36	-0.44	-40.62
CC(C)NC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656236	1	35	-1.0	-40.14	309.43	-0.43	-40.57
CC12CC(CC(C)(C)C1)N(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004656237	0	45	-1.0	-47.47	337.35	6.66	-40.81
CC12CC(CC(C)(C)C1)N(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004656237	1	45	-1.0	-47.51	337.41	6.68	-40.83
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1	REAL250004656238	0	36	-1.0	-47.70	308.04	1.17	-46.53
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1	REAL250004656238	1	36	-1.0	-47.68	308.10	1.19	-46.49
CC(C)CC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004656239	0	35	-1.0	-46.34	294.73	1.29	-45.05
CC(C)CC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004656239	1	35	-1.0	-46.31	294.78	1.30	-45.01
CCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656241	0	34	-1.0	-35.66	287.95	4.52	-31.14
CCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656241	1	34	-1.0	-35.68	288.02	4.55	-31.13
O=C(NC1=CC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656242	0	30	-1.0	-36.84	273.91	0.40	-36.44
O=C(NC1=CC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656242	1	30	-1.0	-36.81	273.98	0.41	-36.40
CC1=CC=CC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004656243	0	36	-1.0	-47.04	307.95	2.87	-44.17
CC1=CC=CC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004656243	1	36	-1.0	-47.04	308.01	2.88	-44.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC2=C1	REAL250004656244	0	36	-1.0	-48.57	298.82	5.26	-43.31
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC2=C1	REAL250004656244	1	36	-1.0	-48.60	298.88	5.27	-43.33
O=C(CCCC1=N[N-]N=N1)NCCCOC1=CC=CC=C1	REAL250004656245	0	39	-1.0	-48.12	330.55	3.83	-44.29
O=C(CCCC1=NN=N[N-]1)NCCCOC1=CC=CC=C1	REAL250004656245	1	39	-1.0	-48.12	330.61	3.85	-44.27
COC(=O)CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656246	0	40	-1.0	-50.23	339.13	3.60	-46.63
COC(=O)CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656246	1	40	-1.0	-50.23	339.19	3.61	-46.62
CCOCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656247	0	35	-1.0	-35.99	306.79	1.05	-34.94
CCOCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656247	1	35	-1.0	-35.94	306.86	1.07	-34.87
CC(C)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656248	0	38	-1.0	-46.66	316.47	2.01	-44.65
CC(C)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656248	1	38	-1.0	-46.66	316.53	2.02	-44.64
CC(C)OCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656249	0	38	-1.0	-35.89	327.07	1.80	-34.09
CC(C)OCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656249	1	38	-1.0	-35.91	327.13	1.81	-34.10
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004656250	0	33	-1.0	-47.36	283.93	1.30	-46.06
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004656250	1	33	-1.0	-47.31	283.99	1.31	-46.00
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(O)=C1	REAL250004656251	0	33	-1.0	-36.76	295.33	1.08	-35.68
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(O)=C1	REAL250004656251	1	33	-1.0	-36.72	295.40	1.09	-35.63
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCCCC2C1	REAL250004656252	0	45	-1.0	-45.81	338.80	5.89	-39.92
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCCCC2C1	REAL250004656252	1	45	-1.0	-45.85	338.85	5.90	-39.95
CN(CCNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004656253	0	40	-1.0	-49.82	330.76	4.17	-45.65
CN(CCNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656253	1	40	-1.0	-49.85	330.82	4.18	-45.67
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004656254	0	38	-1.0	-47.66	295.08	4.96	-42.70
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004656254	1	38	-1.0	-47.69	295.13	4.98	-42.71
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL250004656255	0	38	-1.0	-35.56	302.86	5.35	-30.21
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL250004656255	1	38	-1.0	-35.55	302.92	5.38	-30.17
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O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1	REAL250004656259	1	38	-1.0	-46.04	301.23	3.90	-42.14
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CN1C=CC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004656263	0	34	-1.0	-48.29	297.35	1.66	-46.63
CN1C=CC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004656263	1	34	-1.0	-48.31	297.40	1.67	-46.64
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CN1	REAL250004656264	0	31	-1.0	-48.36	279.00	0.02	-48.34
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O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(F)=C1	REAL250004656266	1	35	-1.0	-49.38	307.05	4.33	-45.05
CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004656267	0	29	-1.0	-39.69	265.68	1.91	-37.78
CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004656267	1	29	-1.0	-39.71	265.61	1.88	-37.83
O=C(CCCC1=N[N-]N=N1)NCCCOCC1CCCO1	REAL250004656268	0	43	-1.0	-49.16	353.28	1.72	-47.44
O=C(CCCC1=NN=N[N-]1)NCCCOCC1CCCO1	REAL250004656268	1	43	-1.0	-49.15	353.34	1.74	-47.41
O=C(CCCC1=N[N-]N=N1)NN1C=NC2=CC=CC=C21	REAL250004656269	0	32	-1.0	-51.02	279.67	4.24	-46.78
O=C(CCCC1=NN=N[N-]1)NN1C=NC2=CC=CC=C21	REAL250004656269	1	32	-1.0	-51.00	279.72	4.26	-46.74
CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656270	0	41	-1.0	-48.84	338.64	7.29	-41.55
CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656270	1	41	-1.0	-48.84	338.69	7.30	-41.54
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC=C1	REAL250004656271	0	36	-1.0	-47.87	308.98	3.09	-44.78
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC=C1	REAL250004656271	1	36	-1.0	-47.85	309.04	3.11	-44.74
CC1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004656272	0	38	-1.0	-46.44	298.51	4.78	-41.66
CC1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004656272	1	38	-1.0	-46.45	298.56	4.80	-41.65
CC1CC(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656273	0	38	-1.0	-35.09	301.59	5.28	-29.81
CC1CC(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656273	1	38	-1.0	-35.04	301.66	5.29	-29.75
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O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CC=C1	REAL250004656277	0	33	-1.0	-47.45	291.90	2.19	-45.26
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=CC=C1	REAL250004656277	1	33	-1.0	-47.45	291.95	2.20	-45.25
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CN=C1	REAL250004656278	0	35	-1.0	-50.43	302.56	3.82	-46.61
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CN=C1	REAL250004656278	1	35	-1.0	-50.45	302.62	3.83	-46.62
O=C(NCCCN1C=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656279	0	35	-1.0	-40.57	313.15	3.61	-36.96
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O=C(CCCC1=N[N-]N=N1)NCCCN1CCOCC1	REAL250004656280	0	41	-1.0	-47.85	329.01	-0.28	-48.13
O=C(CCCC1=NN=N[N-]1)NCCCN1CCOCC1	REAL250004656280	1	41	-1.0	-47.89	329.07	-0.26	-48.15
COCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656281	0	32	-1.0	-36.07	284.94	0.09	-35.98
COCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656281	1	32	-1.0	-36.04	285.00	0.10	-35.94
CC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656282	0	34	-1.0	-34.83	290.33	2.31	-32.52
CC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656282	1	34	-1.0	-34.80	290.40	2.32	-32.48
CCOC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656283	0	40	-1.0	-50.04	326.59	3.29	-46.75
CCOC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656283	1	40	-1.0	-50.04	326.65	3.31	-46.73
CN(CCOC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656284	0	39	-1.0	-47.36	324.85	5.27	-42.09
CN(CCOC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656284	1	39	-1.0	-47.32	324.91	5.29	-42.03
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004656285	0	36	-1.0	-46.71	304.44	3.40	-43.31
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004656285	1	36	-1.0	-46.73	304.50	3.41	-43.32
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004656286	0	36	-1.0	-36.50	315.05	3.19	-33.31
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004656286	1	36	-1.0	-36.51	315.12	3.19	-33.32
COC1=CC=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656287	0	39	-1.0	-48.12	320.05	5.08	-43.04
COC1=CC=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656287	1	39	-1.0	-48.13	320.11	5.10	-43.03
CCCCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656288	0	41	-1.0	-47.88	338.88	6.36	-41.52
CCCCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656288	1	41	-1.0	-47.91	338.94	6.38	-41.53
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=CN=C1	REAL250004656289	0	32	-1.0	-48.32	286.88	0.44	-47.88
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=CN=C1	REAL250004656289	1	32	-1.0	-48.37	286.93	0.46	-47.91
CC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656290	0	38	-1.0	-48.05	313.46	5.27	-42.78
CC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656290	1	38	-1.0	-48.08	313.52	5.28	-42.80
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=N1	REAL250004656291	0	34	-1.0	-51.91	294.77	2.47	-49.44
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=N1	REAL250004656291	1	34	-1.0	-51.93	294.82	2.48	-49.45
O=C(NCCC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656292	0	34	-1.0	-38.94	305.37	2.26	-36.68
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COC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656293	0	34	-1.0	-49.01	296.13	2.04	-46.97
COC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656293	1	34	-1.0	-49.00	296.19	2.05	-46.95
COC(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656294	0	34	-1.0	-39.50	306.73	1.83	-37.67
COC(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656294	1	34	-1.0	-39.44	306.79	1.84	-37.60
O=C(CCCC1=N[N-]N=N1)NCCC1=CNC2=CC=CC=C12	REAL250004656295	0	39	-1.0	-51.65	332.49	4.30	-47.35
O=C(CCCC1=NN=N[N-]1)NCCC1=CNC2=CC=CC=C12	REAL250004656295	1	39	-1.0	-51.74	332.55	4.32	-47.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CC=CC=C21	REAL250004656296	0	39	-1.0	-49.02	312.44	5.17	-43.85
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CC=CC=C21	REAL250004656296	1	39	-1.0	-49.00	312.50	5.19	-43.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)C=C1	REAL250004656297	0	35	-1.0	-48.35	317.31	4.77	-43.58
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)C=C1	REAL250004656297	1	35	-1.0	-48.37	317.37	4.78	-43.59
O=C(CCCC1=N[N-]N=N1)NC1CCCCCC1	REAL250004656298	0	38	-1.0	-47.36	293.34	3.60	-43.76
O=C(CCCC1=NN=N[N-]1)NC1CCCCCC1	REAL250004656298	1	38	-1.0	-47.37	293.40	3.61	-43.76
O=C(NC1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656299	0	38	-1.0	-35.11	303.75	3.32	-31.79
O=C(NC1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656299	1	38	-1.0	-35.10	303.81	3.34	-31.76
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC=C1	REAL250004656300	0	38	-1.0	-47.17	322.08	5.03	-42.14
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC=C1	REAL250004656300	1	38	-1.0	-47.20	322.13	5.04	-42.16
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCNC(=O)C1	REAL250004656301	0	30	-1.0	-40.08	261.61	-0.03	-40.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCNC(=O)C1	REAL250004656301	1	30	-1.0	-40.08	261.68	-0.01	-40.09
COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656302	0	39	-1.0	-49.84	330.09	3.55	-46.29
COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656302	1	39	-1.0	-49.81	330.14	3.56	-46.25
CC(CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656303	0	41	-1.0	-47.57	341.83	6.02	-41.55
CC(CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656303	1	41	-1.0	-47.56	341.89	6.04	-41.52
CN(CC1=CC=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656304	0	35	-1.0	-46.53	302.69	5.66	-40.87
CN(CC1=CC=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656304	1	35	-1.0	-46.57	302.74	5.67	-40.90
CC1=CC=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656305	0	38	-1.0	-48.61	311.88	6.77	-41.84
CC1=CC=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656305	1	38	-1.0	-48.61	311.94	6.79	-41.82
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCC1	REAL250004656306	0	39	-1.0	-46.97	319.32	2.61	-44.36
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCC1	REAL250004656306	1	39	-1.0	-46.99	319.37	2.62	-44.37
O=C(NC1=NC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656307	0	29	-1.0	-40.79	269.71	0.11	-40.68
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CC(C)(C)OC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004656308	0	36	-1.0	-47.52	301.83	0.52	-47.00
CC(C)(C)OC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004656308	1	36	-1.0	-47.56	301.89	0.53	-47.03
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CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004656421	1	33	-1.0	-34.77	276.76	2.20	-32.57
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CCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656432	0	34	-1.0	-35.73	284.74	5.05	-30.68
CCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656432	1	34	-1.0	-35.73	284.81	5.07	-30.66
CC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656433	0	34	-1.0	-35.69	281.37	4.28	-31.41
CC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656433	1	34	-1.0	-35.64	281.44	4.31	-31.33
CCCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004656434	0	40	-1.0	-45.94	314.65	5.56	-40.38
CCCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004656434	1	40	-1.0	-45.94	314.71	5.58	-40.36
CCCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656435	0	40	-1.0	-35.55	321.27	6.28	-29.27
CCCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656435	1	40	-1.0	-35.53	321.33	6.28	-29.25
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CN(CC1=CN(C)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656438	0	35	-1.0	-48.67	300.05	3.42	-45.25
CN(CC1=CN(C)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656438	1	35	-1.0	-48.67	299.99	3.40	-45.27
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CN(CC1=CN(C)N=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656439	1	35	-1.0	-41.63	307.68	3.79	-37.84
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CN(C)C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004656442	1	39	-1.0	-47.47	327.74	3.30	-44.17
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COC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004656445	0	35	-1.0	-54.67	294.72	4.27	-50.40
COC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004656445	1	35	-1.0	-54.71	294.80	4.28	-50.43
CC(C)C1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656446	0	41	-1.0	-52.72	342.82	3.89	-48.83
CC(C)C1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656446	1	41	-1.0	-52.75	342.88	3.91	-48.84
CC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004656447	0	34	-1.0	-51.38	306.83	1.97	-49.41
CC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004656447	1	34	-1.0	-51.40	306.89	1.98	-49.42
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CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=C2CCCN21	REAL250004656449	0	38	-1.0	-50.89	319.87	3.65	-47.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=C2CCCN21	REAL250004656449	1	38	-1.0	-50.91	319.93	3.66	-47.25
C#CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656450	0	31	-1.0	-51.96	280.27	4.56	-47.40
C#CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656450	1	31	-1.0	-52.00	280.33	4.57	-47.43
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656451	0	31	-1.0	-38.85	291.14	4.34	-34.51
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656451	1	31	-1.0	-38.85	291.20	4.34	-34.51
O=C(CCCC1=N[N-]N=N1)NCCC(=O)N1CCOCC1	REAL250004656452	0	40	-1.0	-57.67	329.16	0.34	-57.33
O=C(CCCC1=NN=N[N-]1)NCCC(=O)N1CCOCC1	REAL250004656452	1	40	-1.0	-57.71	329.21	0.36	-57.35
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CO1	REAL250004656453	0	32	-1.0	-36.31	290.51	2.19	-34.12
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL250004656453	1	32	-1.0	-36.27	290.58	2.21	-34.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CC2	REAL250004656454	0	33	-1.0	-37.44	274.00	4.46	-32.98
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CC2	REAL250004656454	1	33	-1.0	-37.41	274.07	4.47	-32.94
CC1=CC(C)=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656455	0	35	-1.0	-49.85	305.36	3.92	-45.93
CC1=CC(C)=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656455	1	35	-1.0	-49.85	305.42	3.94	-45.91
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656456	0	36	-1.0	-48.79	301.38	3.26	-45.53
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656456	1	36	-1.0	-48.83	301.43	3.28	-45.55
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1	REAL250004656457	0	33	-1.0	-46.84	286.04	4.92	-41.92
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1	REAL250004656457	1	33	-1.0	-46.84	286.10	4.93	-41.91
CNC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656458	0	36	-1.0	-62.31	309.47	1.65	-60.66
CNC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656458	1	36	-1.0	-62.38	309.53	1.67	-60.71
O=C(CCCC1=N[N-]N=N1)NCC#CC1=CC=CC=C1	REAL250004656459	0	34	-1.0	-46.67	306.75	4.96	-41.71
O=C(CCCC1=NN=N[N-]1)NCC#CC1=CC=CC=C1	REAL250004656459	1	34	-1.0	-46.69	306.81	4.97	-41.72
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004656460	0	30	-1.0	-53.66	272.53	-6.49	-60.15
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004656460	1	30	-1.0	-53.67	272.59	-6.48	-60.15
NC(=O)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004656461	0	30	-1.0	-48.47	283.14	-6.69	-55.16
NC(=O)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004656461	1	30	-1.0	-48.45	283.21	-6.69	-55.14
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=C1	REAL250004656463	0	39	-1.0	-48.96	320.71	6.93	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=C1	REAL250004656463	1	39	-1.0	-49.02	320.77	6.95	-42.07
CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656464	0	38	-1.0	-58.90	323.86	7.44	-51.46
CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656464	1	38	-1.0	-58.87	323.80	7.43	-51.44
CN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004656465	0	35	-1.0	-44.52	307.17	5.62	-38.90
CN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004656465	1	35	-1.0	-44.52	307.22	5.63	-38.89
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCCC2	REAL250004656466	0	39	-1.0	-48.06	312.15	6.02	-42.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCCC2	REAL250004656466	1	39	-1.0	-48.05	312.21	6.04	-42.01
NC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004656467	0	33	-1.0	-57.90	275.75	0.80	-57.10
NC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004656467	1	33	-1.0	-57.93	275.80	0.82	-57.11
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CC=N1	REAL250004656468	0	36	-1.0	-50.46	309.00	1.50	-48.96
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CC=N1	REAL250004656468	1	36	-1.0	-50.46	309.05	1.52	-48.94
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1CCCC1	REAL250004656469	0	39	-1.0	-46.70	322.17	1.13	-45.57
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1CCCC1	REAL250004656469	1	39	-1.0	-46.76	322.22	1.14	-45.62
CN1C=CSC1=NC(=O)CCCC1=N[N-]N=N1	REAL250004656470	0	28	-1.0	-51.74	259.38	2.55	-49.19
CN1C=CSC1=NC(=O)CCCC1=NN=N[N-]1	REAL250004656470	1	28	-1.0	-51.78	259.44	2.57	-49.21
CN1C=CSC1=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656471	0	28	-1.0	-45.19	270.67	2.33	-42.86
CN1C=CSC1=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656471	1	28	-1.0	-45.15	270.73	2.34	-42.81
O=C(CCCC1=N[N-]N=N1)NCCC1CCCO1	REAL250004656472	0	36	-1.0	-49.71	297.09	1.55	-48.16
O=C(CCCC1=NN=N[N-]1)NCCC1CCCO1	REAL250004656472	1	36	-1.0	-49.69	297.15	1.57	-48.12
O=C(NCCC1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656473	0	36	-1.0	-37.12	307.68	1.36	-35.76
O=C(NCCC1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656473	1	36	-1.0	-37.09	307.75	1.36	-35.73
CC(C1CC1)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656474	0	35	-1.0	-35.78	287.38	4.86	-30.92
CC(C1CC1)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656474	1	35	-1.0	-35.75	287.44	4.87	-30.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CN=C2)C=C1	REAL250004656475	0	36	-1.0	-51.20	308.94	5.74	-45.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CN=C2)C=C1	REAL250004656475	1	36	-1.0	-51.15	309.00	5.76	-45.39
CN(CC1=CC=C(Cl)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656476	0	34	-1.0	-52.60	307.80	4.23	-48.37
CN(CC1=CC=C(Cl)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656476	1	34	-1.0	-52.61	307.74	4.22	-48.39
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL250004656477	0	39	-1.0	-48.67	313.65	6.37	-42.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL250004656477	1	39	-1.0	-48.71	313.71	6.38	-42.33
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CN=C1	REAL250004656478	0	34	-1.0	-50.44	295.47	2.48	-47.96
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CN=C1	REAL250004656478	1	34	-1.0	-50.45	295.41	2.46	-47.99
O=C(NCCC1=CC=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656479	0	34	-1.0	-38.16	306.08	2.27	-35.89
O=C(NCCC1=CC=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656479	1	34	-1.0	-38.14	306.01	2.26	-35.88
CCCCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656480	0	43	-1.0	-46.76	346.42	5.35	-41.41
CCCCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656480	1	43	-1.0	-46.74	346.48	5.37	-41.37
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC=C21	REAL250004656481	0	36	-1.0	-49.60	290.03	6.06	-43.54
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC=C21	REAL250004656481	1	36	-1.0	-49.64	290.08	6.08	-43.56
CC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656482	0	34	-1.0	-54.94	294.34	3.77	-51.17
CC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656482	1	34	-1.0	-54.94	294.40	3.78	-51.16
O=C(NC1=NN=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656485	1	24	-1.0	-40.37	245.54	0.68	-39.69
O=C(NC1=NN=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656485	1	24	-1.0	-40.31	245.61	0.69	-39.62
CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004656486	0	38	-1.0	-46.16	290.01	4.87	-41.29
CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004656486	1	38	-1.0	-46.20	290.07	4.88	-41.32
CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656487	0	38	-1.0	-35.03	297.28	5.07	-29.96
CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656487	1	38	-1.0	-34.95	297.35	5.09	-29.86
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656488	0	31	-1.0	-35.28	280.50	2.77	-32.51
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656488	1	31	-1.0	-35.24	280.56	2.77	-32.47
COC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656489	0	33	-1.0	-47.72	281.00	2.79	-44.93
COC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656489	1	33	-1.0	-47.68	281.06	2.81	-44.87
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656490	0	33	-1.0	-37.79	292.47	2.56	-35.23
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656490	1	33	-1.0	-37.85	292.40	2.55	-35.30
O=C(NC1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656491	0	29	-1.0	-37.15	270.06	3.22	-33.93
O=C(NC1=CC=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656491	1	29	-1.0	-37.14	269.99	3.21	-33.93
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL250004656492	0	32	-1.0	-45.67	292.00	4.35	-41.32
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL250004656492	1	32	-1.0	-45.71	292.06	4.37	-41.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CN=CC=C21	REAL250004656493	0	34	-1.0	-48.78	290.77	3.99	-44.79
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CN=CC=C21	REAL250004656493	1	34	-1.0	-48.76	290.71	3.98	-44.78
CC1=C(Cl)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656494	0	32	-1.0	-45.82	284.85	4.64	-41.18
CC1=C(Cl)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656494	1	32	-1.0	-45.80	284.91	4.65	-41.15
CCCN(CCC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656495	0	37	-1.0	-35.58	306.47	5.73	-29.85
CCCN(CCC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656495	1	37	-1.0	-35.54	306.54	5.73	-29.81
CC1(NC(=O)CCCC2=N[N-]N=N2)CCS(=O)(=O)C1	REAL250004656496	0	35	-1.0	-52.16	295.29	-0.98	-53.14
CC1(NC(=O)CCCC2=NN=N[N-]2)CCS(=O)(=O)C1	REAL250004656496	1	35	-1.0	-52.16	295.35	-0.97	-53.13
CNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656497	0	36	-1.0	-50.51	309.65	1.64	-48.87
CNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656497	1	36	-1.0	-50.55	309.70	1.66	-48.89
CCCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656500	1	36	-1.0	-55.81	320.94	3.79	-52.02
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CNN=C2C=C1	REAL250004656501	0	32	-1.0	-51.43	279.59	2.08	-49.35
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CNN=C2C=C1	REAL250004656501	1	32	-1.0	-51.42	279.65	2.09	-49.33
CC(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656502	0	35	-1.0	-49.42	295.29	3.64	-45.78
CC(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656502	1	35	-1.0	-49.40	295.23	3.62	-45.78
CC(C)N1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656503	0	35	-1.0	-35.94	305.96	3.42	-32.52
CC(C)N1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656503	1	35	-1.0	-35.92	305.89	3.41	-32.51
CCCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656504	0	39	-1.0	-47.09	324.36	4.51	-42.58
CCCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656504	1	39	-1.0	-47.13	324.42	4.52	-42.61
NC(=O)NC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656505	0	35	-1.0	-54.07	302.05	-0.54	-54.61
NC(=O)NC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656505	1	35	-1.0	-54.08	302.11	-0.52	-54.60
CCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656506	0	35	-1.0	-47.60	291.76	5.03	-42.57
CCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656506	1	35	-1.0	-47.61	291.82	5.04	-42.57
CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656507	0	35	-1.0	-35.89	301.67	4.79	-31.10
CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656507	1	35	-1.0	-35.94	301.61	4.78	-31.16
CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656508	1	27	-1.0	-56.51	256.46	1.48	-55.03
CC1=NN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656508	1	27	-1.0	-56.53	256.52	1.50	-55.03
CC1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004656509	1	27	-1.0	-40.36	267.59	1.40	-38.96
CC1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004656509	1	27	-1.0	-40.34	267.53	1.39	-38.95
CC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656510	0	32	-1.0	-47.38	278.20	4.32	-43.06
CC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656510	1	32	-1.0	-47.40	278.26	4.33	-43.07
CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656511	0	32	-1.0	-34.76	287.88	4.07	-30.69
CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656511	1	32	-1.0	-34.77	287.80	4.07	-30.70
CC(C)CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656513	1	36	-1.0	-55.86	316.40	3.48	-52.38
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004656514	0	33	-1.0	-46.23	273.53	5.31	-40.92
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004656514	1	33	-1.0	-46.26	273.58	5.33	-40.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=CC=CC=C21	REAL250004656515	0	33	-1.0	-37.76	284.41	5.72	-32.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=CC=CC=C21	REAL250004656515	1	33	-1.0	-37.74	284.48	5.73	-32.01
CC(C)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656516	0	38	-1.0	-47.48	309.08	5.47	-42.01
CC(C)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656516	1	38	-1.0	-47.42	309.14	5.49	-41.93
CC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656517	0	34	-1.0	-60.01	295.79	3.85	-56.16
CC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656517	1	34	-1.0	-59.97	295.85	3.87	-56.10
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(F)(F)F)C=C1	REAL250004656518	0	32	-1.0	-47.34	291.72	4.36	-42.98
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(F)(F)F)C=C1	REAL250004656518	1	32	-1.0	-47.34	291.78	4.38	-42.96
CCNC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004656519	0	38	-1.0	-53.05	317.30	2.22	-50.83
CCNC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004656519	1	38	-1.0	-53.10	317.36	2.24	-50.86
CN1N=C(C(C)(C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656520	0	41	-1.0	-50.18	335.49	4.51	-45.67
CN1N=C(C(C)(C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656520	1	41	-1.0	-50.21	335.43	4.50	-45.71
N#CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656521	0	33	-1.0	-52.79	295.51	4.52	-48.27
N#CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656521	1	33	-1.0	-52.79	295.57	4.54	-48.25
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CN=C1)C1CC1	REAL250004656522	0	38	-1.0	-51.57	314.08	5.12	-46.45
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CN=C1)C1CC1	REAL250004656522	1	38	-1.0	-51.57	314.03	5.11	-46.46
CCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656523	0	41	-1.0	-47.99	337.74	7.26	-40.73
CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656523	1	41	-1.0	-47.98	337.79	7.27	-40.71
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NN=N2)C=C1	REAL250004656524	0	34	-1.0	-57.43	301.32	3.55	-53.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NN=N2)C=C1	REAL250004656524	1	34	-1.0	-57.38	301.26	3.54	-53.84
O=C(CCCC1=N[N-]N=N1)N1CCN(CCO)CC1	REAL250004656525	0	38	-1.0	-48.44	301.49	-1.46	-49.90
O=C(CCCC1=NN=N[N-]1)N1CCN(CCO)CC1	REAL250004656525	1	38	-1.0	-48.48	301.55	-1.44	-49.92
CCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656527	1	30	-1.0	-56.19	277.94	2.24	-53.95
CC1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656528	0	32	-1.0	-46.18	280.33	4.14	-42.04
CC1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656528	1	32	-1.0	-46.18	280.39	4.15	-42.03
CC1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656529	0	32	-1.0	-36.57	290.98	3.94	-32.63
CC1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656529	1	32	-1.0	-36.56	290.92	3.93	-32.63
CC1=CC=C(Cl)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656530	0	32	-1.0	-49.44	287.54	4.72	-44.72
CC1=CC=C(Cl)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656530	1	32	-1.0	-49.44	287.60	4.74	-44.70
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCC2)S1	REAL250004656531	0	32	-1.0	-54.34	285.39	3.94	-50.40
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCC2)S1	REAL250004656531	1	32	-1.0	-54.38	285.45	3.95	-50.43
NC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656532	0	33	-1.0	-50.26	287.72	0.14	-50.12
NC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656532	1	33	-1.0	-50.30	287.77	0.16	-50.14
COCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004656533	0	39	-1.0	-46.79	320.14	1.86	-44.93
COCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004656533	1	39	-1.0	-46.78	320.19	1.87	-44.91
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004656534	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004656534	1	33	-1.0	-56.70	295.41	3.80	-52.90
CCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656535	1	33	-1.0	-55.85	299.44	3.00	-52.85
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC=C1F	REAL250004656536	0	36	-1.0	-50.81	315.21	3.16	-47.65
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC=C1F	REAL250004656536	1	36	-1.0	-50.83	315.27	3.17	-47.66
O=C(CCCC1=N[N-]N=N1)NOCC1=CC=CC=C1	REAL250004656537	0	33	-1.0	-51.62	292.45	4.60	-47.02
O=C(CCCC1=NN=N[N-]1)NOCC1=CC=CC=C1	REAL250004656537	1	33	-1.0	-51.69	292.51	4.62	-47.07
O=C(NOCC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656538	0	33	-1.0	-37.52	303.05	4.40	-33.12
O=C(NOCC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656538	1	33	-1.0	-37.46	303.11	4.40	-33.06
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656539	0	31	-1.0	-37.20	283.80	1.19	-36.01
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656539	1	31	-1.0	-37.20	283.87	1.22	-35.98
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004656540	0	37	-1.0	-46.89	312.72	4.30	-42.59
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004656540	1	37	-1.0	-46.89	312.78	4.32	-42.57
CCC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656541	0	44	-1.0	-47.38	322.44	6.25	-41.13
CCC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656541	1	44	-1.0	-47.40	322.49	6.26	-41.14
CC1CCCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004656542	0	41	-1.0	-47.66	315.93	5.57	-42.09
CC1CCCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004656542	1	41	-1.0	-47.70	315.98	5.59	-42.11
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCCC2)S1	REAL250004656543	0	35	-1.0	-53.37	303.27	4.51	-48.86
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCCC2)S1	REAL250004656543	1	35	-1.0	-53.38	303.33	4.53	-48.85
CC(C1=CC=CO1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656544	0	35	-1.0	-47.45	292.10	4.29	-43.16
CC(C1=CC=CO1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656544	1	35	-1.0	-47.47	292.16	4.31	-43.16
CC(C1=CC=CO1)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656545	0	35	-1.0	-36.74	300.38	4.59	-32.15
CC(C1=CC=CO1)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656545	1	35	-1.0	-36.70	300.45	4.60	-32.10
CCOC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656546	0	37	-1.0	-48.76	317.99	2.95	-45.81
CCOC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656546	1	37	-1.0	-48.80	318.05	2.97	-45.83
CC1=CC=C(OCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656547	0	39	-1.0	-47.82	330.39	3.77	-44.05
CC1=CC=C(OCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656547	1	39	-1.0	-47.86	330.44	3.78	-44.08
CN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656548	0	35	-1.0	-47.16	308.97	5.71	-41.45
CN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656548	1	35	-1.0	-47.15	309.03	5.72	-41.43
O=C(NCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656549	0	25	-1.0	-34.57	249.09	0.72	-33.85
O=C(NCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656549	1	25	-1.0	-34.55	249.15	0.73	-33.82
COC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656550	0	31	-1.0	-39.42	285.23	1.04	-38.38
COC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656550	1	31	-1.0	-39.39	285.29	1.05	-38.34
CN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004656551	0	41	-1.0	-47.92	315.06	5.76	-42.16
CN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004656551	1	41	-1.0	-47.91	315.11	5.77	-42.14
CC(C)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656552	0	46	-1.0	-46.33	365.73	5.63	-40.70
CC(C)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656552	1	46	-1.0	-46.31	365.79	5.65	-40.66
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNC=C2C1	REAL250004656553	0	33	-1.0	-51.00	275.25	2.19	-48.81
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNC=C2C1	REAL250004656553	1	33	-1.0	-51.01	275.31	2.20	-48.81
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL250004656554	0	32	-1.0	-36.08	285.05	3.83	-32.25
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL250004656554	1	32	-1.0	-36.07	284.98	3.82	-32.25
CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656555	0	46	-1.0	-46.31	369.66	5.91	-40.40
CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656555	1	46	-1.0	-46.30	369.72	5.92	-40.38
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NNC=C2C=C1	REAL250004656556	0	32	-1.0	-52.31	279.17	2.10	-50.21
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NNC=C2C=C1	REAL250004656556	1	32	-1.0	-52.32	279.23	2.11	-50.21
O=C(CCCC1=NN=N[N-]1)N1CCN2C3=CC=CC=C3N=C12	REAL250004656557	0	36	-1.0	-48.33	307.24	7.42	-40.91
O=C(CCCC1=N[N-]N=N1)N1CCN2C3=CC=CC=C3N=C12	REAL250004656557	1	36	-1.0	-48.32	307.18	7.41	-40.91
CC1C2=CC=CN2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004656558	0	37	-1.0	-50.11	301.00	5.24	-44.87
CC1C2=CC=CN2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004656558	1	37	-1.0	-50.15	301.06	5.26	-44.89
O=C(CCCC1=NN=N[N-]1)NCC1=CN2C=CSC2=N1	REAL250004656559	0	32	-1.0	-52.42	296.52	3.20	-49.22
O=C(NC(C1CC1)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656560	0	36	-1.0	-35.34	312.00	4.19	-31.15
O=C(NC(C1CC1)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656560	1	36	-1.0	-35.34	312.07	4.19	-31.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CNN=C21	REAL250004656561	0	32	-1.0	-52.73	279.17	2.13	-50.60
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CNN=C21	REAL250004656561	1	32	-1.0	-52.73	279.22	2.14	-50.59
NC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656562	0	36	-1.0	-54.28	313.63	0.25	-54.03
NC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656562	1	36	-1.0	-54.26	313.69	0.27	-53.99
CC(C)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656563	1	40	-1.0	-46.27	305.12	2.28	-43.99
CC(C)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656563	1	40	-1.0	-46.27	305.18	2.29	-43.98
CN(CC1=NC2=CC=CC=C2N1)C(=O)CCCC1=NN=N[N-]1	REAL250004656564	0	38	-1.0	-58.91	323.28	4.37	-54.54
CN(CC1=NC2=CC=CC=C2N1)C(=O)CCCC1=N[N-]N=N1	REAL250004656564	1	38	-1.0	-58.93	323.22	4.36	-54.57
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1	REAL250004656565	0	31	-1.0	-46.64	276.33	3.05	-43.59
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1	REAL250004656565	1	31	-1.0	-46.66	276.39	3.06	-43.60
O=C(NNC1=CC=C(F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656566	0	31	-1.0	-35.12	286.92	2.83	-32.29
O=C(NNC1=CC=C(F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656566	1	31	-1.0	-35.10	286.99	2.84	-32.26
O=C(CCCC1=N[N-]N=N1)NC12CC3CC(CC(C3)C1)C2	REAL250004656568	0	43	-1.0	-47.51	314.76	4.78	-42.73
O=C(CCCC1=NN=N[N-]1)NC12CC3CC(CC(C3)C1)C2	REAL250004656568	1	43	-1.0	-47.49	314.81	4.79	-42.70
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2)CC1	REAL250004656569	0	40	-1.0	-47.62	330.48	7.19	-40.43
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2)CC1	REAL250004656569	1	40	-1.0	-47.61	330.54	7.21	-40.40
CCCCC(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656570	0	43	-1.0	-46.26	334.92	4.74	-41.52
CCCCC(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656570	1	43	-1.0	-46.27	334.98	4.75	-41.52
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656571	0	35	-1.0	-46.17	300.49	4.15	-42.02
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656571	1	35	-1.0	-46.21	300.54	4.16	-42.05
CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656572	0	35	-1.0	-35.58	311.08	3.94	-31.64
CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656572	1	35	-1.0	-35.57	311.15	3.94	-31.63
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(Cl)=C1	REAL250004656573	0	31	-1.0	-47.06	286.64	3.50	-43.56
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(Cl)=C1	REAL250004656573	1	31	-1.0	-47.02	286.69	3.51	-43.51
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656574	0	34	-1.0	-46.74	291.31	3.66	-43.08
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656574	1	34	-1.0	-46.75	291.36	3.67	-43.08
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004656575	0	42	-1.0	-46.78	322.42	4.85	-41.93
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004656575	1	42	-1.0	-46.80	322.48	4.86	-41.94
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC=CC2=C1	REAL250004656576	0	33	-1.0	-50.46	284.78	3.39	-47.07
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC=CC2=C1	REAL250004656576	1	33	-1.0	-50.46	284.83	3.40	-47.06
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004656577	0	36	-1.0	-46.71	290.01	2.78	-43.93
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004656577	1	36	-1.0	-46.73	290.07	2.79	-43.94
CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004656578	0	36	-1.0	-34.59	297.61	3.04	-31.55
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004656578	1	36	-1.0	-34.68	297.72	3.05	-31.63
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656579	0	32	-1.0	-36.06	281.47	4.02	-32.04
CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656579	1	32	-1.0	-36.08	281.40	4.00	-32.08
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CO2)=N1	REAL250004656580	0	32	-1.0	-53.63	292.29	3.93	-49.70
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CO2)=N1	REAL250004656580	1	32	-1.0	-53.61	292.34	3.94	-49.67
CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656581	0	34	-1.0	-46.85	291.31	3.65	-43.20
CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656581	1	34	-1.0	-46.89	291.37	3.66	-43.23
CC1=CC=CC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656582	0	34	-1.0	-35.30	301.90	3.43	-31.87
CC1=CC=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656582	1	34	-1.0	-35.25	301.97	3.43	-31.82
CN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL250004656584	0	35	-1.0	-55.78	296.17	0.29	-55.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL250004656584	1	35	-1.0	-55.85	296.23	0.30	-55.55
O=C(NC1=NCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656585	0	27	-1.0	-35.75	257.33	0.26	-35.49
O=C(NC1=NCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656585	1	27	-1.0	-35.75	257.40	0.27	-35.48
CC(C)C1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656586	1	33	-1.0	-55.88	298.76	2.84	-53.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)N=C1	REAL250004656587	0	28	-1.0	-46.71	265.07	2.05	-44.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)N=C1	REAL250004656587	1	28	-1.0	-46.70	265.01	2.03	-44.67
O=C(CCCC1=N[N-]N=N1)NCCOCC(F)(F)F	REAL250004656588	0	32	-1.0	-49.91	294.20	0.97	-48.94
O=C(CCCC1=NN=N[N-]1)NCCOCC(F)(F)F	REAL250004656588	1	32	-1.0	-49.88	294.25	0.99	-48.89
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)(=O)C1	REAL250004656589	0	32	-1.0	-54.22	283.21	-1.43	-55.65
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)(=O)C1	REAL250004656589	1	32	-1.0	-54.23	283.27	-1.42	-55.65
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004656590	0	34	-1.0	-47.08	305.35	4.09	-42.99
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004656590	1	34	-1.0	-47.12	305.40	4.10	-43.02
CC1=NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2O1	REAL250004656591	0	34	-1.0	-50.92	296.91	1.01	-49.91
CC1=NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2O1	REAL250004656591	1	34	-1.0	-50.96	296.97	1.02	-49.94
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CC1	REAL250004656592	0	39	-1.0	-46.25	321.53	5.75	-40.50
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CC1	REAL250004656592	1	39	-1.0	-46.34	321.59	5.77	-40.57
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CO1	REAL250004656593	0	36	-1.0	-51.18	319.89	-0.06	-51.24
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CO1	REAL250004656593	1	36	-1.0	-51.17	319.95	-0.05	-51.22
CN(CC1=CSC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656594	0	32	-1.0	-48.50	286.89	4.53	-43.97
CN(CC1=CSC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656594	1	32	-1.0	-48.49	286.95	4.55	-43.94
CCNC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004656595	0	38	-1.0	-53.05	317.30	2.22	-50.83
CCNC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004656595	1	38	-1.0	-53.10	317.36	2.24	-50.86
CC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656596	0	41	-1.0	-47.38	304.20	5.59	-41.79
CC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656596	1	41	-1.0	-47.40	304.26	5.60	-41.80
O=C(NCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656597	0	32	-1.0	-34.83	278.00	2.33	-32.50
O=C(NCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656597	1	32	-1.0	-34.83	278.07	2.33	-32.50
CC(C)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656598	0	42	-1.0	-52.97	332.05	3.83	-49.14
CC(C)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656598	1	42	-1.0	-53.06	332.11	3.85	-49.21
CCNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656599	0	35	-1.0	-47.40	297.70	-0.19	-47.59
CCNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656599	1	35	-1.0	-47.36	297.76	-0.18	-47.54
CCNC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656600	0	35	-1.0	-40.27	308.30	-0.41	-40.68
CCNC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656600	1	35	-1.0	-40.31	308.36	-0.39	-40.70
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656601	0	36	-1.0	-48.01	289.27	2.63	-45.38
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656601	1	36	-1.0	-48.03	289.33	2.65	-45.38
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004656602	0	36	-1.0	-35.89	296.95	2.88	-33.01
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004656602	1	36	-1.0	-35.90	297.02	2.89	-33.01
CCN(CCC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004656603	0	38	-1.0	-47.33	328.87	6.38	-40.95
CCN(CCC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004656603	1	38	-1.0	-47.36	328.93	6.39	-40.97
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004656604	0	33	-1.0	-47.13	294.00	1.73	-45.40
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004656604	1	33	-1.0	-47.17	294.06	1.73	-45.44
CNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656605	0	29	-1.0	-40.62	267.25	-2.10	-42.72
CNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656605	1	29	-1.0	-40.57	267.32	-2.09	-42.66
COCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656606	0	36	-1.0	-48.30	308.35	3.08	-45.22
COCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656606	1	36	-1.0	-48.34	308.41	3.10	-45.24
O=C(CCCC1=N[N-]N=N1)NCCC(=O)N1CCCC1	REAL250004656607	0	39	-1.0	-57.32	324.36	2.01	-55.31
O=C(CCCC1=NN=N[N-]1)NCCC(=O)N1CCCC1	REAL250004656607	1	39	-1.0	-57.35	324.42	2.02	-55.33
O=C(CCCC1=N[N-]N=N1)NN1CC(=O)NC1=O	REAL250004656608	0	28	-1.0	-55.68	259.36	-1.87	-57.55
O=C(CCCC1=NN=N[N-]1)NN1CC(=O)NC1=O	REAL250004656608	1	28	-1.0	-55.73	259.42	-1.85	-57.58
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004656610	0	32	-1.0	-35.09	275.95	2.42	-32.67
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004656610	1	32	-1.0	-35.06	276.02	2.43	-32.63
CN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004656611	0	32	-1.0	-49.18	287.41	4.70	-44.48
CN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004656611	1	32	-1.0	-49.18	287.46	4.71	-44.47
CCC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004656612	0	40	-1.0	-48.82	328.10	3.76	-45.06
CCC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004656612	1	40	-1.0	-48.87	328.16	3.77	-45.10
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL250004656613	0	34	-1.0	-51.29	292.87	-0.41	-51.70
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL250004656613	1	34	-1.0	-51.32	292.92	-0.40	-51.72
COCC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656614	0	39	-1.0	-46.15	328.81	3.34	-42.81
COCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656614	1	39	-1.0	-46.16	328.87	3.35	-42.81
CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004656615	0	35	-1.0	-48.54	307.38	5.61	-42.93
CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004656615	1	35	-1.0	-48.57	307.43	5.62	-42.95
COC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656616	0	35	-1.0	-48.87	305.17	0.24	-48.63
COC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656616	1	35	-1.0	-48.86	305.11	0.22	-48.64
CCOC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656617	0	38	-1.0	-48.81	327.02	1.18	-47.63
CCOC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656617	1	38	-1.0	-48.82	326.96	1.17	-47.65
O=C(CCCC1=N[N-]N=N1)NCC1CCS(=O)(=O)C1	REAL250004656618	0	35	-1.0	-55.90	303.67	-0.80	-56.70
O=C(CCCC1=NN=N[N-]1)NCC1CCS(=O)(=O)C1	REAL250004656618	1	35	-1.0	-55.89	303.73	-0.78	-56.67
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004656619	0	36	-1.0	-45.93	293.64	2.04	-43.89
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004656619	1	36	-1.0	-45.90	293.70	2.05	-43.85
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCO1	REAL250004656620	0	36	-1.0	-35.75	304.23	1.85	-33.90
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCO1	REAL250004656620	1	36	-1.0	-35.72	304.30	1.86	-33.86
O=C(NNC1=NC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656621	0	29	-1.0	-38.63	272.59	2.49	-36.14
O=C(NNC1=NC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656621	1	29	-1.0	-38.64	272.66	2.49	-36.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004656622	0	37	-1.0	-47.84	313.87	6.14	-41.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004656622	1	37	-1.0	-47.87	313.93	6.16	-41.71
CN1C=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656623	0	31	-1.0	-51.90	274.63	2.53	-49.37
CN1C=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656623	1	31	-1.0	-51.96	274.69	2.54	-49.42
CN1C=NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656624	0	31	-1.0	-42.36	285.22	2.32	-40.04
CN1C=NN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656624	1	31	-1.0	-42.30	285.29	2.32	-39.98
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004656625	0	38	-1.0	-48.20	302.70	2.49	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004656625	1	38	-1.0	-48.22	302.76	2.50	-45.72
CS(=O)(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656626	0	36	-1.0	-55.76	319.21	-2.61	-58.37
CS(=O)(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656626	1	36	-1.0	-55.78	319.27	-2.59	-58.37
CC1=CSC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656627	0	34	-1.0	-50.37	307.17	1.96	-48.41
CC1=CSC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656627	1	34	-1.0	-50.40	307.23	1.98	-48.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=C1C=CO2	REAL250004656628	0	36	-1.0	-50.25	297.50	3.35	-46.90
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=C1C=CO2	REAL250004656628	1	36	-1.0	-50.31	297.56	3.37	-46.94
CC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656629	0	35	-1.0	-55.13	301.46	-0.41	-55.54
CC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656629	1	35	-1.0	-55.12	301.52	-0.40	-55.52
CC(=O)NCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656630	0	35	-1.0	-41.99	312.08	-0.63	-42.62
CC(=O)NCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656630	1	35	-1.0	-41.92	312.14	-0.62	-42.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CN=C2)N=C1	REAL250004656631	0	35	-1.0	-49.97	306.33	5.04	-44.93
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CN=C2)N=C1	REAL250004656631	1	35	-1.0	-49.99	306.39	5.05	-44.94
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=CC=CC=C21	REAL250004656632	0	42	-1.0	-48.23	335.54	5.83	-42.40
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=CC=CC=C21	REAL250004656632	1	42	-1.0	-48.25	335.60	5.85	-42.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NC=N2)N=C1	REAL250004656633	0	34	-1.0	-51.53	303.73	5.24	-46.29
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NC=N2)N=C1	REAL250004656633	1	34	-1.0	-51.45	303.68	5.22	-46.23
O=C(CCCC1=N[N-]N=N1)NCC(O)CN1CCOCC1	REAL250004656634	0	42	-1.0	-47.54	340.06	-3.39	-50.93
O=C(CCCC1=NN=N[N-]1)NCC(O)CN1CCOCC1	REAL250004656634	1	42	-1.0	-47.49	340.11	-3.37	-50.86
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=CO1	REAL250004656635	0	39	-1.0	-48.19	327.32	1.09	-47.10
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=CO1	REAL250004656635	1	39	-1.0	-48.27	327.38	1.10	-47.17
COCCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004656636	0	39	-1.0	-53.13	321.62	3.86	-49.27
COCCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004656636	1	39	-1.0	-53.10	321.67	3.88	-49.22
CN1N=CC2=C1CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004656637	0	39	-1.0	-54.67	318.78	2.86	-51.81
CN1N=CC2=C1CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004656637	1	39	-1.0	-54.67	318.83	2.87	-51.80
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NNC=C2)=C1	REAL250004656638	0	36	-1.0	-58.73	312.14	3.39	-55.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC=C2)=C1	REAL250004656638	1	36	-1.0	-58.76	312.20	3.40	-55.36
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CC(F)=C1	REAL250004656639	0	32	-1.0	-45.40	291.91	3.62	-41.78
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CC(F)=C1	REAL250004656639	1	32	-1.0	-45.40	291.96	3.63	-41.77
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL250004656640	0	38	-1.0	-47.73	324.83	3.10	-44.63
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL250004656640	1	38	-1.0	-47.71	324.88	3.12	-44.59
CC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656641	0	32	-1.0	-36.87	285.96	2.39	-34.48
CC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656641	1	32	-1.0	-36.86	286.02	2.40	-34.46
CN(C)C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656642	0	37	-1.0	-46.28	306.39	3.22	-43.06
CN(C)C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656642	1	37	-1.0	-46.35	306.45	3.23	-43.12
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=N1	REAL250004656643	0	35	-1.0	-49.55	303.13	2.23	-47.32
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=N1	REAL250004656643	1	35	-1.0	-49.58	303.08	2.22	-47.36
O=C(NCCCN1C=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656644	0	35	-1.0	-39.98	313.74	2.02	-37.96
O=C(NCCCN1C=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656644	1	35	-1.0	-39.96	313.67	2.03	-37.93
O=C(NC1=NNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656645	0	25	-1.0	-42.07	240.06	3.01	-39.06
O=C(NC1=NNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656645	1	25	-1.0	-42.06	240.13	3.03	-39.03
CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656647	0	32	-1.0	-36.47	281.23	-1.22	-37.69
CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656647	1	32	-1.0	-36.46	281.30	-1.20	-37.66
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1=CC=CC=C1	REAL250004656648	0	39	-1.0	-49.95	325.51	3.29	-46.66
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1=CC=CC=C1	REAL250004656648	1	39	-1.0	-49.94	325.57	3.30	-46.64
CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656649	0	32	-1.0	-35.98	274.85	0.88	-35.10
CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656649	1	32	-1.0	-35.95	274.92	0.89	-35.06
O=C(CCCC1=N[N-]N=N1)N1CCCC(CO)C1	REAL250004656650	0	36	-1.0	-48.74	288.31	0.91	-47.83
O=C(CCCC1=NN=N[N-]1)N1CCCC(CO)C1	REAL250004656650	1	36	-1.0	-48.73	288.37	0.92	-47.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CO)C1	REAL250004656651	0	36	-1.0	-38.69	296.66	1.08	-37.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CO)C1	REAL250004656651	1	36	-1.0	-38.64	296.73	1.09	-37.55
CC1=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004656652	0	38	-1.0	-49.58	317.18	2.47	-47.11
CC1=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004656652	1	38	-1.0	-49.55	317.24	2.49	-47.06
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=C1	REAL250004656654	0	32	-1.0	-46.60	285.49	3.55	-43.05
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=C1	REAL250004656654	1	32	-1.0	-46.61	285.55	3.56	-43.05
O=C(NCC1=CC=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656655	0	32	-1.0	-36.24	296.08	3.34	-32.90
O=C(NCC1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656655	1	32	-1.0	-36.23	296.15	3.34	-32.89
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C(F)=C1	REAL250004656656	0	32	-1.0	-47.10	291.79	3.60	-43.50
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C(F)=C1	REAL250004656656	1	32	-1.0	-47.09	291.85	3.61	-43.48
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656657	0	38	-1.0	-46.83	318.03	4.99	-41.84
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656657	1	38	-1.0	-46.84	318.08	5.00	-41.84
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004656658	0	38	-1.0	-46.18	310.41	4.93	-41.25
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656658	1	38	-1.0	-46.17	310.47	4.95	-41.22
CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656659	0	38	-1.0	-49.31	318.67	6.37	-42.94
CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656659	1	38	-1.0	-49.30	318.73	6.39	-42.91
COC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656660	0	39	-1.0	-47.94	326.06	3.62	-44.32
COC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656660	1	39	-1.0	-47.94	326.12	3.64	-44.30
COC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656661	0	39	-1.0	-49.11	326.07	3.60	-45.51
COC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656661	1	39	-1.0	-49.13	326.12	3.62	-45.51
O=C(CCCC1=N[N-]N=N1)NCC1=C(F)C=CC=C1Cl	REAL250004656662	0	32	-1.0	-48.66	298.44	3.91	-44.75
O=C(CCCC1=NN=N[N-]1)NCC1=C(F)C=CC=C1Cl	REAL250004656662	1	32	-1.0	-48.68	298.50	3.92	-44.76
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1F	REAL250004656663	0	32	-1.0	-46.74	291.07	3.57	-43.17
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1F	REAL250004656663	1	32	-1.0	-46.73	291.12	3.58	-43.15
CC(C1=CC=CC=C1F)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656664	0	38	-1.0	-53.46	315.65	5.95	-47.51
CC(C1=CC=CC=C1F)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656664	1	38	-1.0	-53.45	315.70	5.96	-47.49
CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656665	0	39	-1.0	-46.85	330.44	3.70	-43.15
CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656665	1	39	-1.0	-46.82	330.50	3.72	-43.10
CC1=CC=CC=C1CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004656666	0	42	-1.0	-47.68	339.08	8.08	-39.60
CC1=CC=CC=C1CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004656666	1	42	-1.0	-47.67	339.14	8.10	-39.57
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656667	0	38	-1.0	-45.98	317.63	4.94	-41.04
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656667	1	38	-1.0	-45.97	317.68	4.95	-41.02
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656668	0	38	-1.0	-45.93	321.97	4.92	-41.01
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656668	1	38	-1.0	-45.94	322.03	4.94	-41.00
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656669	0	41	-1.0	-45.95	335.12	5.17	-40.78
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656669	1	41	-1.0	-45.95	335.17	5.19	-40.76
CCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656670	0	41	-1.0	-47.11	320.50	4.41	-42.70
CCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656670	1	41	-1.0	-47.14	320.55	4.43	-42.71
CC(C)(C)C1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004656671	0	47	-1.0	-46.90	344.06	6.11	-40.79
CC(C)(C)C1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004656671	1	47	-1.0	-46.89	344.11	6.13	-40.76
CC(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656672	0	41	-1.0	-45.78	339.31	5.41	-40.37
CC(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656672	1	41	-1.0	-45.79	339.36	5.42	-40.37
N#CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656673	0	33	-1.0	-49.24	299.95	3.86	-45.38
N#CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656673	1	33	-1.0	-49.29	300.00	3.88	-45.41
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004656674	0	36	-1.0	-49.00	317.39	4.71	-44.29
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004656674	1	36	-1.0	-49.01	317.45	4.72	-44.29
O=C(CCCC1=N[N-]N=N1)NCC1CC1(Cl)Cl	REAL250004656675	0	29	-1.0	-47.58	282.16	3.04	-44.54
O=C(CCCC1=NN=N[N-]1)NCC1CC1(Cl)Cl	REAL250004656675	1	29	-1.0	-47.53	282.22	3.06	-44.47
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CN=C1	REAL250004656676	0	38	-1.0	-51.02	315.66	5.15	-45.87
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CN=C1	REAL250004656676	1	38	-1.0	-50.99	315.61	5.13	-45.86
CC1=CC=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656677	0	42	-1.0	-49.19	342.14	7.60	-41.59
CC1=CC=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656677	1	42	-1.0	-49.19	342.20	7.62	-41.57
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CS1)C1CC1	REAL250004656678	0	36	-1.0	-47.09	307.10	5.96	-41.13
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CS1)C1CC1	REAL250004656678	1	36	-1.0	-47.14	307.15	5.97	-41.17
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004656679	0	41	-1.0	-47.05	334.99	5.52	-41.53
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004656679	1	41	-1.0	-47.08	335.04	5.53	-41.55
CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656680	0	41	-1.0	-48.66	337.65	7.18	-41.48
CCN(CC1=CC=C(C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656680	1	41	-1.0	-48.67	337.71	7.19	-41.48
CCN(CC1=CC=CC=C1C)C(=O)CCCC1=N[N-]N=N1	REAL250004656681	0	41	-1.0	-47.92	331.71	7.67	-40.25
CCN(CC1=CC=CC=C1C)C(=O)CCCC1=NN=N[N-]1	REAL250004656681	1	41	-1.0	-47.92	331.77	7.68	-40.24
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656682	0	41	-1.0	-48.48	335.55	5.90	-42.58
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656682	1	41	-1.0	-48.44	335.61	5.92	-42.52
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL250004656683	0	35	-1.0	-47.83	307.44	4.48	-43.35
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL250004656683	1	35	-1.0	-47.89	307.50	4.49	-43.40
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004656684	0	36	-1.0	-46.60	288.25	2.73	-43.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004656684	1	36	-1.0	-46.62	288.31	2.74	-43.88
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)CO1	REAL250004656685	0	36	-1.0	-34.57	291.56	2.88	-31.69
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)CO1	REAL250004656685	1	36	-1.0	-34.56	291.63	2.88	-31.68
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656686	0	38	-1.0	-49.07	317.68	6.25	-42.82
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656686	1	38	-1.0	-49.08	317.74	6.27	-42.81
CN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656687	0	36	-1.0	-55.36	317.08	5.97	-49.39
CN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656687	1	36	-1.0	-55.31	317.14	5.99	-49.32
CC1=CC=C(C(C)N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656688	0	41	-1.0	-48.93	327.30	6.45	-42.48
CC1=CC=C(C(C)N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656688	1	41	-1.0	-48.91	327.35	6.46	-42.45
CN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656689	0	36	-1.0	-50.49	317.09	5.98	-44.51
CN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656689	1	36	-1.0	-50.47	317.15	6.00	-44.47
CC1=CC=CC=C1C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656690	0	41	-1.0	-47.17	323.35	6.52	-40.65
CC1=CC=CC=C1C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656690	1	41	-1.0	-47.21	323.41	6.54	-40.67
COC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656691	0	33	-1.0	-46.02	287.42	2.86	-43.16
COC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656691	1	33	-1.0	-45.99	287.48	2.87	-43.12
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004656692	0	36	-1.0	-46.49	284.98	2.76	-43.73
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004656692	1	36	-1.0	-46.50	285.04	2.77	-43.73
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004656693	0	36	-1.0	-34.76	292.60	3.02	-31.74
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004656693	1	36	-1.0	-34.75	292.66	3.03	-31.72
CCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004656694	0	41	-1.0	-46.34	314.77	5.04	-41.30
CCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004656694	1	41	-1.0	-46.32	314.82	5.05	-41.27
CNC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656695	0	41	-1.0	-51.16	328.89	-0.31	-51.47
CNC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656695	1	41	-1.0	-51.16	328.95	-0.30	-51.46
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC(F)=C1	REAL250004656696	0	36	-1.0	-49.07	315.39	3.16	-45.91
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC(F)=C1	REAL250004656696	1	36	-1.0	-49.09	315.45	3.18	-45.91
CC(C)CNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656697	0	38	-1.0	-46.57	318.52	0.47	-46.10
CC(C)CNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656697	1	38	-1.0	-46.54	318.57	0.48	-46.06
COC(=O)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656698	0	43	-1.0	-52.20	360.63	4.38	-47.82
COC(=O)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656698	1	43	-1.0	-52.23	360.69	4.39	-47.84
CC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656699	0	37	-1.0	-34.82	306.50	2.68	-32.14
CC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656699	1	37	-1.0	-34.77	306.56	2.69	-32.08
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004656701	0	37	-1.0	-48.34	319.34	0.61	-47.73
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004656701	1	37	-1.0	-48.33	319.40	0.62	-47.71
CC(CC1=CC=CO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656702	0	35	-1.0	-48.93	301.59	3.26	-45.67
CC(CC1=CC=CO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656702	1	35	-1.0	-48.94	301.65	3.28	-45.66
CC(CC1=CC=CO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656703	0	35	-1.0	-38.44	311.97	3.10	-35.34
CC(CC1=CC=CO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656703	1	35	-1.0	-38.40	312.04	3.12	-35.28
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004656704	0	38	-1.0	-46.32	325.69	4.76	-41.56
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004656704	1	38	-1.0	-46.35	325.74	4.78	-41.57
CC(CN1C=CN=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656705	0	35	-1.0	-54.00	300.99	3.93	-50.07
CC(CN1C=CN=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656705	1	35	-1.0	-54.04	301.05	3.94	-50.10
CC(CN1C=CN=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656706	0	35	-1.0	-42.91	311.56	3.70	-39.21
CC(CN1C=CN=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656706	1	35	-1.0	-42.86	311.65	3.73	-39.13
NC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004656707	0	40	-1.0	-47.84	319.36	-2.05	-49.89
NC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004656707	1	40	-1.0	-47.78	319.42	-2.03	-49.81
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CN1	REAL250004656708	0	37	-1.0	-49.62	306.37	4.45	-45.17
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CN1	REAL250004656708	1	37	-1.0	-49.64	306.43	4.46	-45.18
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004656709	0	38	-1.0	-47.00	295.84	4.85	-42.15
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004656709	1	38	-1.0	-47.00	295.90	4.86	-42.14
CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656710	0	38	-1.0	-35.01	303.87	5.10	-29.91
CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656710	1	38	-1.0	-34.99	303.94	5.11	-29.88
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NC=N1	REAL250004656711	0	34	-1.0	-51.27	297.89	3.68	-47.59
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NC=N1	REAL250004656711	1	34	-1.0	-51.28	297.84	3.66	-47.62
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656712	0	34	-1.0	-41.91	308.50	3.47	-38.44
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656712	1	34	-1.0	-41.89	308.43	3.47	-38.42
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CO1	REAL250004656716	0	33	-1.0	-48.90	292.15	-0.86	-49.76
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CO1	REAL250004656716	1	33	-1.0	-48.90	292.20	-0.85	-49.75
CC(CNC(=O)CCCC1=N[N-]N=N1)N1CCOCC1	REAL250004656717	0	41	-1.0	-46.47	320.49	-0.28	-46.75
CC(CNC(=O)CCCC1=NN=N[N-]1)N1CCOCC1	REAL250004656717	1	41	-1.0	-46.48	320.55	-0.27	-46.75
CCCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656719	0	39	-1.0	-52.22	326.12	4.37	-47.85
CCCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656719	1	39	-1.0	-52.22	326.17	4.39	-47.83
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2C=CC=CN21	REAL250004656720	0	31	-1.0	-64.18	276.73	6.33	-57.85
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2C=CC=CN21	REAL250004656720	1	31	-1.0	-64.16	276.67	6.32	-57.84
O=C(CCCC1=N[N-]N=N1)NCCC1CCCCC1	REAL250004656721	0	41	-1.0	-46.52	321.36	4.41	-42.11
O=C(CCCC1=NN=N[N-]1)NCCC1CCCCC1	REAL250004656721	1	41	-1.0	-46.53	321.42	4.43	-42.10
COC1=C(C)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004656722	0	39	-1.0	-47.32	320.62	4.36	-42.96
COC1=C(C)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004656722	1	39	-1.0	-47.38	320.68	4.37	-43.01
CC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656723	0	38	-1.0	-46.16	297.83	4.18	-41.98
CC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656723	1	38	-1.0	-46.15	297.89	4.20	-41.95
CC1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656724	0	38	-1.0	-35.03	312.86	3.57	-31.46
CC1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656724	1	38	-1.0	-35.02	312.92	3.59	-31.43
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656725	0	39	-1.0	-48.11	327.73	3.30	-44.81
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656725	1	39	-1.0	-48.15	327.79	3.32	-44.83
CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656726	0	33	-1.0	-34.69	270.19	2.05	-32.64
CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656726	1	33	-1.0	-34.66	270.25	2.08	-32.58
O=C(NCC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656727	0	35	-1.0	-34.81	294.88	2.94	-31.87
O=C(NCC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656727	1	35	-1.0	-34.79	294.94	2.95	-31.84
CC1=NOC(C)=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656728	0	37	-1.0	-47.17	304.45	4.20	-42.97
CC1=NOC(C)=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656728	1	37	-1.0	-47.18	304.50	4.22	-42.96
COC1=CC=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656729	0	33	-1.0	-48.74	294.32	1.15	-47.59
COC1=CC=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656729	1	33	-1.0	-48.73	294.38	1.16	-47.57
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=C(F)C=C1	REAL250004656730	0	36	-1.0	-47.98	315.39	3.15	-44.83
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=C(F)C=C1	REAL250004656730	1	36	-1.0	-47.95	315.45	3.17	-44.78
COCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656731	0	39	-1.0	-47.37	334.15	3.21	-44.16
COCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656731	1	39	-1.0	-47.40	334.20	3.23	-44.17
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004656732	0	32	-1.0	-44.50	305.25	4.01	-40.49
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004656732	1	32	-1.0	-44.51	305.31	4.02	-40.49
CN(CC1=CC=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL250004656733	0	36	-1.0	-48.81	301.46	3.01	-45.80
CN(CC1=CC=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL250004656733	1	36	-1.0	-48.76	301.52	3.03	-45.73
CC1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004656735	0	36	-1.0	-53.68	306.69	3.97	-49.71
CC1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004656735	1	36	-1.0	-53.69	306.75	3.98	-49.71
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(O)C=C2C1	REAL250004656737	0	37	-1.0	-48.58	306.53	2.93	-45.65
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(O)C=C2C1	REAL250004656737	1	37	-1.0	-48.61	306.59	2.94	-45.67
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCCC1	REAL250004656739	0	44	-1.0	-46.35	342.86	5.20	-41.15
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCCC1	REAL250004656739	1	44	-1.0	-46.36	342.92	5.21	-41.15
CCN(CC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004656740	0	35	-1.0	-53.40	295.82	1.38	-52.02
CCN(CC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004656740	1	35	-1.0	-53.35	295.87	1.39	-51.96
CCN(CC(=O)NC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656741	0	35	-1.0	-42.75	303.25	1.88	-40.87
CCN(CC(=O)NC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656741	1	35	-1.0	-42.73	303.32	1.88	-40.85
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004656742	0	35	-1.0	-50.33	303.25	3.18	-47.15
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004656742	1	35	-1.0	-50.33	303.31	3.20	-47.13
CC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004656743	0	35	-1.0	-37.79	313.84	2.98	-34.81
CC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004656743	1	35	-1.0	-37.76	313.91	2.99	-34.77
CCCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656744	0	37	-1.0	-35.92	303.20	5.34	-30.58
CCCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656744	1	37	-1.0	-35.88	303.27	5.35	-30.53
CCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004656745	0	38	-1.0	-53.49	313.18	3.31	-50.18
CCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004656745	1	38	-1.0	-53.50	313.23	3.32	-50.18
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656746	0	39	-1.0	-47.72	329.45	1.85	-45.87
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656746	1	39	-1.0	-47.73	329.50	1.86	-45.87
O=C(NCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656747	0	33	-1.0	-36.68	285.56	0.43	-36.25
O=C(NCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656747	1	33	-1.0	-36.72	285.62	0.44	-36.28
COC(=O)C(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656748	0	37	-1.0	-49.27	306.89	3.88	-45.39
COC(=O)C(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656748	1	37	-1.0	-49.28	306.95	3.90	-45.38
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656749	0	35	-1.0	-45.74	312.68	4.15	-41.59
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656749	1	35	-1.0	-45.73	312.73	4.16	-41.57
O=C(CCCC1=N[N-]N=N1)NC1C2=CC=CC=C2CC1O	REAL250004656750	0	37	-1.0	-53.83	313.21	1.33	-52.50
O=C(CCCC1=NN=N[N-]1)NC1C2=CC=CC=C2CC1O	REAL250004656750	1	37	-1.0	-53.83	313.27	1.35	-52.48
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004656752	0	44	-1.0	-52.67	346.57	3.73	-48.94
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004656752	1	44	-1.0	-52.67	346.63	3.74	-48.93
CC1=CC(N(C)C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656757	0	40	-1.0	-49.64	323.30	4.64	-45.00
CC1=CC(N(C)C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656757	1	40	-1.0	-49.65	323.36	4.66	-44.99
CC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004656758	0	37	-1.0	-49.84	307.13	3.73	-46.11
CC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004656758	1	37	-1.0	-49.89	307.19	3.74	-46.15
CN1C2=CC=CC=C2N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656759	0	38	-1.0	-49.99	325.49	3.80	-46.19
CN1C2=CC=CC=C2N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656759	1	38	-1.0	-50.01	325.55	3.81	-46.20
CC(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656760	0	41	-1.0	-47.79	328.44	0.05	-47.74
CC(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656760	1	41	-1.0	-47.80	328.50	0.07	-47.73
NC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656761	0	29	-1.0	-42.29	267.45	-2.94	-45.23
NC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656761	1	29	-1.0	-42.31	267.51	-2.93	-45.24
CC(C#N)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656762	0	32	-1.0	-37.54	280.40	3.95	-33.59
CC(C#N)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656762	1	32	-1.0	-37.48	280.47	3.96	-33.52
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC=C1	REAL250004656763	0	36	-1.0	-50.12	303.69	6.00	-44.12
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC=C1	REAL250004656763	1	36	-1.0	-50.13	303.75	6.01	-44.12
NC(=O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656764	0	32	-1.0	-42.02	288.94	-2.14	-44.16
NC(=O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656764	1	32	-1.0	-42.04	289.01	-2.12	-44.16
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=C1	REAL250004656765	0	29	-1.0	-45.54	269.07	2.41	-43.13
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=C1	REAL250004656765	1	29	-1.0	-45.58	269.12	2.43	-43.15
O=C(NCC1=CSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656766	0	29	-1.0	-35.01	279.66	2.21	-32.80
O=C(NCC1=CSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656766	1	29	-1.0	-35.01	279.72	2.21	-32.80
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2)CC1	REAL250004656767	0	42	-1.0	-47.67	334.30	7.08	-40.59
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2)CC1	REAL250004656767	1	42	-1.0	-47.70	334.36	7.09	-40.61
CCC(CC)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004656768	0	43	-1.0	-47.22	329.43	6.09	-41.13
CCC(CC)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004656768	1	43	-1.0	-47.22	329.49	6.11	-41.11
COC(=O)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656769	0	37	-1.0	-52.79	314.23	4.16	-48.63
COC(=O)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656769	1	37	-1.0	-52.79	314.28	4.18	-48.61
CN(CC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004656770	0	28	-1.0	-48.01	252.88	2.93	-45.08
CN(CC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004656770	1	28	-1.0	-48.03	252.93	2.95	-45.08
CN(CC(F)(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656771	0	28	-1.0	-36.36	260.99	3.34	-33.02
CN(CC(F)(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656771	1	28	-1.0	-36.31	261.06	3.35	-32.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=N2)=C1	REAL250004656772	0	36	-1.0	-59.31	311.67	4.57	-54.74
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=N2)=C1	REAL250004656772	1	36	-1.0	-59.29	311.62	4.55	-54.74
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC=C2C1	REAL250004656773	0	37	-1.0	-50.40	310.53	3.45	-46.95
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC=C2C1	REAL250004656773	1	37	-1.0	-50.37	310.58	3.46	-46.91
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)(=O)CC1	REAL250004656774	0	35	-1.0	-53.60	300.27	-0.81	-54.41
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)(=O)CC1	REAL250004656774	1	35	-1.0	-53.60	300.32	-0.79	-54.39
O=C(NCC1=NNC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656775	0	29	-1.0	-39.04	269.58	-0.35	-39.39
O=C(NCC1=NNC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656775	1	29	-1.0	-39.07	269.65	-0.35	-39.42
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004656776	0	34	-1.0	-49.46	293.51	3.18	-46.28
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004656776	1	34	-1.0	-49.46	293.57	3.20	-46.26
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2CCCC2=C1	REAL250004656777	0	39	-1.0	-46.24	324.63	5.39	-40.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2CCCC2=C1	REAL250004656777	1	39	-1.0	-46.30	324.68	5.40	-40.90
CC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004656778	0	35	-1.0	-49.43	295.24	2.99	-46.44
CC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004656778	1	35	-1.0	-49.40	295.30	3.00	-46.40
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=CC=C21	REAL250004656779	0	36	-1.0	-49.84	302.04	4.72	-45.12
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=CC=C21	REAL250004656779	1	36	-1.0	-49.87	302.09	4.74	-45.13
COC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656780	0	39	-1.0	-50.15	330.09	3.55	-46.60
COC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656780	1	39	-1.0	-50.23	330.15	3.56	-46.67
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=N2)=N1	REAL250004656781	0	34	-1.0	-54.74	306.08	4.08	-50.66
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CC=N2)=N1	REAL250004656781	1	34	-1.0	-54.84	306.14	4.10	-50.74
COCC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656782	0	39	-1.0	-47.66	334.15	3.20	-44.46
COCC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656782	1	39	-1.0	-47.66	334.20	3.22	-44.44
CC(CNC(=O)CCCC1=NN=N[N-]1)CN1C=CC=N1	REAL250004656783	0	38	-1.0	-48.97	321.00	3.10	-45.87
CC(CNC(=O)CCCC1=N[N-]N=N1)CN1C=CC=N1	REAL250004656783	1	38	-1.0	-48.98	320.94	3.08	-45.90
CC1=NOC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656784	0	38	-1.0	-54.66	317.30	5.25	-49.41
CC1=NOC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656784	1	38	-1.0	-54.66	317.36	5.27	-49.39
CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656785	0	39	-1.0	-47.50	330.44	3.70	-43.80
CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656785	1	39	-1.0	-47.56	330.50	3.72	-43.84
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2O1	REAL250004656786	0	35	-1.0	-47.90	306.97	3.99	-43.91
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2O1	REAL250004656786	1	35	-1.0	-47.94	307.02	4.01	-43.93
COCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656787	0	35	-1.0	-36.37	306.44	0.87	-35.50
COCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656787	1	35	-1.0	-36.33	306.50	0.88	-35.45
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OC(F)F)=C1	REAL250004656788	0	33	-1.0	-51.87	292.52	2.93	-48.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OC(F)F)=C1	REAL250004656788	1	33	-1.0	-51.87	292.57	2.95	-48.92
CCC1=C(C)SC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656789	0	34	-1.0	-46.03	300.06	3.55	-42.48
CCC1=C(C)SC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656789	1	34	-1.0	-46.06	300.12	3.57	-42.49
O=C(CCCC1=N[N-]N=N1)NCCSC(F)(F)F	REAL250004656790	0	29	-1.0	-46.85	283.64	2.27	-44.58
O=C(CCCC1=NN=N[N-]1)NCCSC(F)(F)F	REAL250004656790	1	29	-1.0	-46.82	283.70	2.28	-44.54
O=C(NC1=CNC=CC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656791	0	29	-1.0	-57.08	270.04	1.64	-55.44
O=C(NC1=CNC=CC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656791	1	29	-1.0	-57.08	270.11	1.65	-55.43
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CS1	REAL250004656792	0	28	-1.0	-47.05	263.87	0.61	-46.44
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CS1	REAL250004656792	1	28	-1.0	-47.09	263.93	0.63	-46.46
O=C(NCC1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656793	0	28	-1.0	-36.79	274.46	0.40	-36.39
O=C(NCC1=NC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656793	1	28	-1.0	-36.79	274.53	0.41	-36.38
O=C(CCCC1=N[N-]N=N1)NCCCCN1CCOCC1	REAL250004656794	1	44	-1.0	-48.38	350.51	0.50	-47.88
O=C(CCCC1=NN=N[N-]1)NCCCCN1CCOCC1	REAL250004656794	1	44	-1.0	-48.43	350.56	0.52	-47.91
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CSC=C1	REAL250004656795	0	36	-1.0	-48.31	311.32	5.72	-42.59
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CSC=C1	REAL250004656795	1	36	-1.0	-48.34	311.38	5.74	-42.60
CC(C)(C)C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004656796	0	35	-1.0	-46.13	294.94	1.11	-45.02
CC(C)(C)C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004656796	1	35	-1.0	-46.13	294.99	1.12	-45.01
CC1CCCCC1OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656798	0	45	-1.0	-46.55	354.25	4.01	-42.54
CC1CCCCC1OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656798	1	45	-1.0	-46.50	354.31	4.02	-42.48
NC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656799	0	33	-1.0	-64.80	292.31	-1.78	-66.58
NC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656799	1	33	-1.0	-64.80	292.25	-1.80	-66.60
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC1)OCCO2	REAL250004656800	0	41	-1.0	-48.37	326.92	2.03	-46.34
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC1)OCCO2	REAL250004656800	1	41	-1.0	-48.37	326.98	2.04	-46.33
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656801	0	34	-1.0	-47.37	295.53	2.30	-45.07
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656801	1	34	-1.0	-47.41	295.59	2.32	-45.09
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004656802	0	34	-1.0	-37.25	306.12	2.10	-35.15
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004656802	1	34	-1.0	-37.20	306.19	2.10	-35.10
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004656803	0	31	-1.0	-47.82	285.65	1.17	-46.65
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004656803	1	31	-1.0	-47.81	285.71	1.19	-46.62
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CC=N2)CC1	REAL250004656804	0	39	-1.0	-49.91	316.55	4.29	-45.62
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CC=N2)CC1	REAL250004656804	1	39	-1.0	-49.89	316.49	4.27	-45.62
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C2CCCCN12	REAL250004656806	0	38	-1.0	-51.40	316.52	3.45	-47.95
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C2CCCCN12	REAL250004656806	1	38	-1.0	-51.35	316.57	3.47	-47.88
CN(CCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004656807	0	37	-1.0	-49.03	312.59	4.58	-44.45
CN(CCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004656807	1	37	-1.0	-49.07	312.64	4.59	-44.48
CN(C)C(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656808	0	35	-1.0	-57.22	296.15	0.71	-56.51
CN(C)C(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656808	1	35	-1.0	-57.30	296.20	0.73	-56.57
CN(C)C(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656809	0	35	-1.0	-42.07	306.74	0.51	-41.56
CN(C)C(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656809	1	35	-1.0	-42.04	306.81	0.52	-41.52
CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656810	0	32	-1.0	-36.64	285.22	0.31	-36.33
CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656810	1	32	-1.0	-36.60	285.29	0.32	-36.28
COCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656811	0	40	-1.0	-56.36	325.23	2.68	-53.68
COCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656811	1	40	-1.0	-56.33	325.29	2.70	-53.63
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004656812	0	29	-1.0	-38.23	264.58	1.14	-37.09
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004656812	1	29	-1.0	-38.17	264.64	1.16	-37.01
NC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656813	0	39	-1.0	-50.61	311.27	0.99	-49.62
NC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656813	1	39	-1.0	-50.61	311.33	1.01	-49.60
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=C2)=C1	REAL250004656814	0	36	-1.0	-49.14	310.26	4.30	-44.84
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CC=C2)=C1	REAL250004656814	1	36	-1.0	-49.15	310.32	4.32	-44.83
COC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656815	0	32	-1.0	-46.79	279.48	0.21	-46.58
COC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656815	1	32	-1.0	-46.76	279.43	0.19	-46.57
COC1=NC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656816	0	32	-1.0	-37.01	289.30	0.01	-37.00
COC1=NC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656816	1	32	-1.0	-37.06	289.23	-0.01	-37.07
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004656817	0	36	-1.0	-48.14	288.82	3.55	-44.59
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004656817	1	36	-1.0	-48.19	288.88	3.57	-44.62
COCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004656818	0	36	-1.0	-35.52	300.75	3.83	-31.69
COCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004656818	1	36	-1.0	-35.54	300.82	3.83	-31.71
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1[N+](=O)[O-]	REAL250004656819	0	34	-1.0	-53.63	300.80	4.24	-49.39
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1[N+](=O)[O-]	REAL250004656819	1	34	-1.0	-53.63	300.86	4.26	-49.37
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656820	0	39	-1.0	-48.41	322.41	4.21	-44.20
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656820	1	39	-1.0	-48.45	322.47	4.23	-44.22
NS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656821	0	30	-1.0	-59.61	275.90	-4.54	-64.15
NS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656821	1	30	-1.0	-59.56	275.95	-4.53	-64.09
NS(=O)(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656822	0	30	-1.0	-45.32	286.64	-4.76	-50.08
NS(=O)(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656822	1	30	-1.0	-45.32	286.70	-4.75	-50.07
CCCCCN(CCCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004656823	0	49	-1.0	-46.61	386.22	8.14	-38.47
CCCCCN(CCCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004656823	1	49	-1.0	-46.65	386.28	8.16	-38.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSCC1	REAL250004656824	0	30	-1.0	-34.40	265.36	3.67	-30.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSCC1	REAL250004656824	1	30	-1.0	-34.32	265.43	3.67	-30.65
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004656825	0	33	-1.0	-53.69	289.00	2.72	-50.97
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004656825	1	33	-1.0	-53.70	289.06	2.73	-50.97
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656826	0	32	-1.0	-45.90	291.19	3.37	-42.53
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656826	1	32	-1.0	-45.92	291.25	3.38	-42.54
O=C(CCCC1=N[N-]N=N1)NCCCOCC(F)(F)F	REAL250004656827	0	35	-1.0	-48.21	315.77	1.72	-46.49
O=C(CCCC1=NN=N[N-]1)NCCCOCC(F)(F)F	REAL250004656827	1	35	-1.0	-48.17	315.83	1.74	-46.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)S1	REAL250004656828	0	32	-1.0	-48.24	307.85	3.96	-44.28
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)S1	REAL250004656828	1	32	-1.0	-48.29	307.91	3.97	-44.32
COCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656829	0	36	-1.0	-52.22	310.49	1.02	-51.20
COCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656829	1	36	-1.0	-52.17	310.43	1.01	-51.16
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004656830	0	30	-1.0	-48.81	271.19	-3.58	-52.39
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004656830	1	30	-1.0	-48.82	271.25	-3.57	-52.39
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004656831	0	30	-1.0	-39.42	281.78	-3.79	-43.21
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004656831	1	30	-1.0	-39.42	281.85	-3.79	-43.21
CC(C1=CC=CS1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656832	0	35	-1.0	-46.96	297.89	4.96	-42.00
CC(C1=CC=CS1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656832	1	35	-1.0	-46.97	297.95	4.97	-42.00
CC1=CC=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)O1	REAL250004656833	0	39	-1.0	-48.59	322.11	5.98	-42.61
CC1=CC=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)O1	REAL250004656833	1	39	-1.0	-48.58	322.17	6.00	-42.58
CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656834	0	35	-1.0	-52.24	303.46	2.05	-50.19
CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656834	1	35	-1.0	-52.25	303.40	2.03	-50.22
CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004656835	0	35	-1.0	-39.89	314.06	1.84	-38.05
CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004656835	1	35	-1.0	-39.95	313.99	1.82	-38.13
CCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656836	0	34	-1.0	-35.33	292.52	2.80	-32.53
CCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656836	1	34	-1.0	-35.32	292.59	2.82	-32.50
CC(=O)NC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004656837	0	39	-1.0	-54.16	316.54	1.96	-52.20
CC(=O)NC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004656837	1	39	-1.0	-54.18	316.59	1.97	-52.21
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC(F)(F)F	REAL250004656838	0	32	-1.0	-46.52	297.46	-0.58	-47.10
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC(F)(F)F	REAL250004656838	1	32	-1.0	-46.55	297.52	-0.57	-47.12
CCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL250004656839	0	38	-1.0	-54.16	324.66	3.84	-50.32
CCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL250004656839	1	38	-1.0	-54.16	324.72	3.85	-50.31
O=C(CCCC1=N[N-]N=N1)NCCC1=C(F)C=CC=C1F	REAL250004656840	0	35	-1.0	-49.52	311.22	4.30	-45.22
O=C(CCCC1=NN=N[N-]1)NCCC1=C(F)C=CC=C1F	REAL250004656840	1	35	-1.0	-49.52	311.28	4.32	-45.20
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C=C1	REAL250004656841	0	33	-1.0	-47.35	290.10	0.63	-46.72
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C=C1	REAL250004656841	1	33	-1.0	-47.33	290.16	0.64	-46.69
O=C(NCC1=CC=C(O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656842	0	33	-1.0	-37.26	300.70	0.41	-36.85
O=C(NCC1=CC=C(O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656842	1	33	-1.0	-37.24	300.77	0.42	-36.82
O=C(CCCC1=N[N-]N=N1)NCC1CC2=CC=CC=C21	REAL250004656844	0	36	-1.0	-48.10	306.32	4.77	-43.33
O=C(CCCC1=NN=N[N-]1)NCC1CC2=CC=CC=C21	REAL250004656844	1	36	-1.0	-48.15	306.37	4.78	-43.37
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656845	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656845	1	38	-1.0	-50.65	322.36	3.62	-47.03
CCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004656846	0	35	-1.0	-53.87	297.34	1.32	-52.55
CCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004656846	1	35	-1.0	-53.87	297.40	1.33	-52.54
CCNC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656847	0	35	-1.0	-43.42	305.02	1.71	-41.71
CCNC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656847	1	35	-1.0	-43.41	305.10	1.72	-41.69
CCOC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656848	0	31	-1.0	-37.20	284.96	1.29	-35.91
CCOC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656848	1	31	-1.0	-37.17	285.03	1.30	-35.87
CC1CC1C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004656849	0	39	-1.0	-46.55	331.95	4.69	-41.86
CC1CC1C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004656849	1	39	-1.0	-46.59	332.01	4.70	-41.89
CCOCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656850	0	38	-1.0	-48.45	317.70	2.04	-46.41
CCOCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656850	1	38	-1.0	-48.46	317.75	2.06	-46.40
CCOCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656851	0	38	-1.0	-36.28	328.29	1.84	-34.44
CCOCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656851	1	38	-1.0	-36.25	328.36	1.85	-34.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)N=C1	REAL250004656852	0	31	-1.0	-47.04	290.85	2.13	-44.91
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)N=C1	REAL250004656852	1	31	-1.0	-47.00	290.79	2.12	-44.88
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCCC1	REAL250004656854	0	45	-1.0	-49.07	336.98	7.11	-41.96
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCCC1	REAL250004656854	1	45	-1.0	-49.10	337.04	7.13	-41.97
CN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656855	0	32	-1.0	-35.60	276.63	4.55	-31.05
CN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656855	1	32	-1.0	-35.57	276.70	4.56	-31.01
CC1=NC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656856	0	34	-1.0	-48.68	303.88	3.55	-45.13
CC1=NC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656856	1	34	-1.0	-48.67	303.94	3.57	-45.10
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=N1	REAL250004656857	0	28	-1.0	-52.59	255.75	3.13	-49.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=N1	REAL250004656857	1	28	-1.0	-52.57	255.70	3.11	-49.46
O=C(NC1=CC=C(F)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656858	0	28	-1.0	-38.28	266.35	2.91	-35.37
O=C(NC1=CC=C(F)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656858	1	28	-1.0	-38.26	266.28	2.90	-35.36
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656859	0	34	-1.0	-48.55	295.65	2.25	-46.30
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656859	1	34	-1.0	-48.56	295.71	2.26	-46.30
CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004656860	0	34	-1.0	-38.24	306.24	2.04	-36.20
CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004656860	1	34	-1.0	-38.19	306.31	2.04	-36.15
CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656862	0	36	-1.0	-52.41	304.35	3.58	-48.83
CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656862	1	36	-1.0	-52.42	304.41	3.60	-48.82
CS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656863	0	34	-1.0	-55.83	304.31	-1.22	-57.05
CS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656863	1	34	-1.0	-55.81	304.37	-1.21	-57.02
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CC=C1	REAL250004656864	0	36	-1.0	-48.02	312.23	1.85	-46.17
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CC=C1	REAL250004656864	1	36	-1.0	-48.03	312.29	1.87	-46.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CN=CO2)=C1	REAL250004656865	0	35	-1.0	-54.90	307.94	1.78	-53.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CN=CO2)=C1	REAL250004656865	1	35	-1.0	-54.94	307.88	1.76	-53.18
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2CC2)CC1	REAL250004656867	1	41	-1.0	-46.24	322.61	3.44	-42.80
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2CC2)CC1	REAL250004656867	1	41	-1.0	-46.22	322.66	3.45	-42.77
CN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004656868	0	35	-1.0	-53.27	295.65	5.60	-47.67
CN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004656868	1	35	-1.0	-53.27	295.70	5.61	-47.66
O=C(NC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656869	0	33	-1.0	-35.61	282.96	0.58	-35.03
O=C(NC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656869	1	33	-1.0	-35.59	283.03	0.58	-35.01
CC1=CC=CC=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004656870	0	42	-1.0	-49.45	335.23	7.47	-41.98
CC1=CC=CC=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004656870	1	42	-1.0	-49.53	335.29	7.48	-42.05
CN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004656871	0	34	-1.0	-46.86	292.04	3.78	-43.08
CN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004656871	1	34	-1.0	-46.89	292.10	3.79	-43.10
CN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656872	0	34	-1.0	-41.08	299.82	4.17	-36.91
CN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656872	1	34	-1.0	-41.01	299.89	4.18	-36.83
CN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004656873	0	36	-1.0	-52.81	307.25	2.73	-50.08
CN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004656873	1	36	-1.0	-52.85	307.31	2.75	-50.10
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CSC1=O	REAL250004656874	0	33	-1.0	-53.12	304.55	0.58	-52.54
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CSC1=O	REAL250004656874	1	33	-1.0	-53.16	304.61	0.60	-52.56
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC(F)(F)F	REAL250004656875	0	29	-1.0	-48.91	273.92	0.36	-48.55
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC(F)(F)F	REAL250004656875	1	29	-1.0	-48.90	273.97	0.37	-48.53
CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL250004656876	0	35	-1.0	-54.44	303.16	3.08	-51.36
CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL250004656876	1	35	-1.0	-54.45	303.22	3.09	-51.36
O=C(CCCC1=N[N-]N=N1)NCC1CCCCCCC1	REAL250004656877	0	44	-1.0	-45.85	323.18	4.75	-41.10
O=C(CCCC1=NN=N[N-]1)NCC1CCCCCCC1	REAL250004656877	1	44	-1.0	-45.88	323.23	4.78	-41.10
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL250004656878	0	32	-1.0	-54.60	280.56	2.16	-52.44
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL250004656878	1	32	-1.0	-54.58	280.62	2.17	-52.41
CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC1=O	REAL250004656879	0	32	-1.0	-40.96	291.54	1.95	-39.01
CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC1=O	REAL250004656879	1	32	-1.0	-40.97	291.47	1.94	-39.03
CC(C)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656880	0	37	-1.0	-35.70	305.52	5.03	-30.67
CC(C)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656880	1	37	-1.0	-35.70	305.59	5.06	-30.64
CCCNC(=O)CN(CCC)C(=O)CCCC1=N[N-]N=N1	REAL250004656881	0	44	-1.0	-52.50	360.30	3.75	-48.75
CCCNC(=O)CN(CCC)C(=O)CCCC1=NN=N[N-]1	REAL250004656881	1	44	-1.0	-52.48	360.36	3.76	-48.72
CC1=NC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656882	0	33	-1.0	-48.11	290.71	1.41	-46.70
CC1=NC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656882	1	33	-1.0	-48.12	290.76	1.42	-46.70
COC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656883	0	37	-1.0	-50.37	304.73	2.37	-48.00
COC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656883	1	37	-1.0	-50.42	304.79	2.38	-48.04
O=C(CCCC1=N[N-]N=N1)NCC1COCCO1	REAL250004656884	0	34	-1.0	-47.26	285.22	-0.32	-47.58
O=C(CCCC1=NN=N[N-]1)NCC1COCCO1	REAL250004656884	1	34	-1.0	-47.25	285.28	-0.30	-47.55
O=C(NCC1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656885	0	34	-1.0	-36.97	295.53	-0.45	-37.42
O=C(NCC1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656885	1	34	-1.0	-36.97	295.60	-0.45	-37.42
CNC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656886	0	36	-1.0	-64.93	314.25	-0.30	-65.23
CNC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656886	1	36	-1.0	-64.90	314.20	-0.32	-65.22
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004656887	0	39	-1.0	-48.49	323.14	4.48	-44.01
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004656887	1	39	-1.0	-48.48	323.20	4.49	-43.99
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C([N+](=O)[O-])C=C1	REAL250004656888	0	34	-1.0	-48.53	307.30	4.15	-44.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C([N+](=O)[O-])C=C1	REAL250004656888	1	34	-1.0	-48.53	307.36	4.17	-44.36
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004656890	0	34	-1.0	-35.74	276.04	4.60	-31.14
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004656890	1	34	-1.0	-35.75	276.11	4.61	-31.14
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004656891	0	36	-1.0	-47.31	310.58	3.65	-43.66
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004656891	1	36	-1.0	-47.29	310.64	3.67	-43.62
COC1=C(F)C=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004656892	0	33	-1.0	-49.29	298.90	2.90	-46.39
COC1=C(F)C=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004656892	1	33	-1.0	-49.34	298.96	2.91	-46.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(O)C=C1	REAL250004656893	0	36	-1.0	-50.45	311.60	1.40	-49.05
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(O)C=C1	REAL250004656893	1	36	-1.0	-50.44	311.66	1.41	-49.03
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(O)=C1	REAL250004656894	0	33	-1.0	-47.53	290.11	0.63	-46.90
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(O)=C1	REAL250004656894	1	33	-1.0	-47.56	290.17	0.64	-46.92
O=C(NCC1=CC=CC(O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656895	0	33	-1.0	-37.50	300.70	0.42	-37.08
O=C(NCC1=CC=CC(O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656895	1	33	-1.0	-37.49	300.77	0.42	-37.07
COCCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004656896	0	42	-1.0	-49.55	343.93	2.51	-47.04
COCCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004656896	1	42	-1.0	-49.52	343.98	2.53	-46.99
COC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656897	0	35	-1.0	-60.86	310.11	2.17	-58.69
COC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656897	1	35	-1.0	-60.88	310.05	2.16	-58.72
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004656898	0	38	-1.0	-48.22	322.19	1.95	-46.27
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004656898	1	38	-1.0	-48.19	322.13	1.94	-46.25
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC(=O)C=CC2=C1	REAL250004656899	0	34	-1.0	-51.10	300.90	4.85	-46.25
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC(=O)C=CC2=C1	REAL250004656899	1	34	-1.0	-51.10	300.96	4.87	-46.23
CCC(=O)N1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656901	0	42	-1.0	-55.08	331.23	4.69	-50.39
CCC(=O)N1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656901	1	42	-1.0	-55.09	331.29	4.70	-50.39
CCCNC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656904	0	38	-1.0	-56.80	321.77	0.36	-56.44
CCCNC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656904	1	38	-1.0	-56.83	321.83	0.37	-56.46
CCCCCCCC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656905	0	49	-1.0	-46.09	385.27	6.50	-39.59
CCCCCCCC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656905	1	49	-1.0	-46.09	385.33	6.52	-39.57
CC1=NNC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656906	0	32	-1.0	-38.48	290.85	0.32	-38.16
CC1=NNC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656906	1	32	-1.0	-38.44	290.92	0.32	-38.12
CC1=NN(C(C)C)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004656907	0	41	-1.0	-52.13	344.09	3.76	-48.37
CC1=NN(C(C)C)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004656907	1	41	-1.0	-52.17	344.14	3.77	-48.40
CS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656908	0	31	-1.0	-61.11	282.81	-1.99	-63.10
CS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656908	1	31	-1.0	-61.11	282.87	-1.98	-63.09
CS(=O)(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656909	0	31	-1.0	-46.73	293.40	-2.21	-48.94
CS(=O)(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656909	1	31	-1.0	-46.71	293.47	-2.19	-48.90
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004656910	0	35	-1.0	-44.77	302.03	4.01	-40.76
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004656910	1	35	-1.0	-44.74	302.10	4.02	-40.72
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004656911	0	32	-1.0	-45.55	279.51	4.16	-41.39
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004656911	1	32	-1.0	-45.54	279.56	4.17	-41.37
CCC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656913	0	44	-1.0	-45.99	333.22	4.89	-41.10
CCC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656913	1	44	-1.0	-45.99	333.28	4.91	-41.08
CCC(C)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656914	0	41	-1.0	-56.78	341.53	1.36	-55.42
CCC(C)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656914	1	41	-1.0	-56.82	341.59	1.37	-55.45
O=CN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656916	0	36	-1.0	-55.66	289.18	2.97	-52.69
O=CN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656916	1	36	-1.0	-55.69	289.24	2.98	-52.71
CC(C)(C)C1=NN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656917	1	36	-1.0	-56.13	317.06	3.34	-52.79
CC(C)(C)C1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656917	1	36	-1.0	-56.14	317.00	3.33	-52.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NC=C1	REAL250004656918	0	34	-1.0	-50.15	295.46	2.48	-47.67
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NC=C1	REAL250004656918	1	34	-1.0	-50.18	295.52	2.49	-47.69
O=C(NCCC1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656919	0	34	-1.0	-37.81	306.05	2.28	-35.53
O=C(NCCC1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656919	1	34	-1.0	-37.82	306.12	2.29	-35.53
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCC1	REAL250004656920	0	42	-1.0	-49.05	316.12	6.12	-42.93
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCC1	REAL250004656920	1	42	-1.0	-49.04	316.18	6.13	-42.91
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004656921	0	36	-1.0	-49.59	302.84	3.40	-46.19
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004656921	1	36	-1.0	-49.60	302.90	3.41	-46.19
CCCN(CC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004656922	0	38	-1.0	-52.87	317.32	2.14	-50.73
CCCN(CC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004656922	1	38	-1.0	-52.88	317.38	2.15	-50.73
CC1=CC=CC=C1OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656923	0	39	-1.0	-47.70	329.06	3.85	-43.85
CC1=CC=CC=C1OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656923	1	39	-1.0	-47.69	329.12	3.86	-43.83
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1O	REAL250004656924	0	30	-1.0	-48.25	279.25	1.14	-47.11
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1O	REAL250004656924	1	30	-1.0	-48.26	279.30	1.16	-47.10
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CN=C2C=C1	REAL250004656925	0	34	-1.0	-50.48	294.56	3.75	-46.73
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CN=C2C=C1	REAL250004656925	1	34	-1.0	-50.48	294.50	3.73	-46.75
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=CO2)=C1	REAL250004656926	0	34	-1.0	-60.59	304.22	-0.73	-61.32
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=CO2)=C1	REAL250004656926	1	34	-1.0	-60.61	304.28	-0.72	-61.33
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CN=C2)=C1	REAL250004656927	0	36	-1.0	-49.84	309.23	5.73	-44.11
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CN=C2)=C1	REAL250004656927	1	36	-1.0	-49.84	309.29	5.75	-44.09
CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656928	0	39	-1.0	-48.25	329.38	3.74	-44.51
CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656928	1	39	-1.0	-48.25	329.44	3.76	-44.49
CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656929	0	33	-1.0	-47.58	284.75	1.29	-46.29
CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656929	1	33	-1.0	-47.59	284.80	1.31	-46.28
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004656930	0	33	-1.0	-37.01	295.34	1.08	-35.93
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004656930	1	33	-1.0	-37.03	295.40	1.09	-35.94
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004656931	0	31	-1.0	-46.72	285.79	1.43	-45.29
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004656931	1	31	-1.0	-46.75	285.84	1.45	-45.30
CN1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656933	1	37	-1.0	-35.83	308.12	0.40	-35.43
CN1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656933	1	37	-1.0	-35.80	308.19	0.42	-35.38
CN(CC1=COC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656934	0	32	-1.0	-37.02	285.60	3.97	-33.05
CN(CC1=COC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656934	1	32	-1.0	-37.03	285.67	3.98	-33.05
CC(CC1=CSC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656935	0	35	-1.0	-48.60	309.67	4.16	-44.44
CC(CC1=CSC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656935	1	35	-1.0	-48.60	309.73	4.17	-44.43
CC1=CC=CC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004656936	0	42	-1.0	-49.26	342.08	7.62	-41.64
CC1=CC=CC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004656936	1	42	-1.0	-49.27	342.14	7.63	-41.64
NC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656937	0	33	-1.0	-59.26	292.11	-0.79	-60.05
NC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656937	1	33	-1.0	-59.30	292.05	-0.81	-60.11
O=C(CCCC1=N[N-]N=N1)NCCCCN1C=CN=C1	REAL250004656938	0	38	-1.0	-53.51	324.06	4.60	-48.91
O=C(CCCC1=NN=N[N-]1)NCCCCN1C=CN=C1	REAL250004656938	1	38	-1.0	-53.50	324.12	4.61	-48.89
CC(CC1=CC=CC=C1F)NC(=O)CCCC1=N[N-]N=N1	REAL250004656939	0	38	-1.0	-47.10	319.84	5.52	-41.58
CC(CC1=CC=CC=C1F)NC(=O)CCCC1=NN=N[N-]1	REAL250004656939	1	38	-1.0	-47.06	319.89	5.54	-41.52
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCO2	REAL250004656940	0	35	-1.0	-49.32	305.10	2.13	-47.19
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCO2	REAL250004656940	1	35	-1.0	-49.30	305.16	2.14	-47.16
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=NC=C1)C1CC1	REAL250004656941	0	38	-1.0	-50.11	311.36	5.17	-44.94
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=NC=C1)C1CC1	REAL250004656941	1	38	-1.0	-50.10	311.41	5.19	-44.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC1C2	REAL250004656942	0	33	-1.0	-37.16	274.02	4.35	-32.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC1C2	REAL250004656942	1	33	-1.0	-37.11	274.08	4.35	-32.76
NS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656943	0	33	-1.0	-55.85	297.40	-3.76	-59.61
NS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656943	1	33	-1.0	-55.98	297.45	-3.75	-59.73
CC(=O)NCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656944	0	36	-1.0	-56.02	314.39	0.96	-55.06
CC(=O)NCCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004656944	1	36	-1.0	-56.02	314.33	0.95	-55.07
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=NC=C1	REAL250004656945	0	32	-1.0	-46.85	284.20	3.19	-43.66
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=NC=C1	REAL250004656945	1	32	-1.0	-46.84	284.14	3.18	-43.66
O=C(CC1CCCC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656946	0	39	-1.0	-46.91	316.82	5.26	-41.65
O=C(CC1CCCC1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004656946	1	39	-1.0	-46.94	316.77	5.25	-41.69
O=C(CCC1CCCC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656947	0	42	-1.0	-47.02	339.33	6.03	-40.99
O=C(CCC1CCCC1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004656947	1	42	-1.0	-47.02	339.27	6.01	-41.01
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL250004656948	0	33	-1.0	-49.28	295.44	5.01	-44.27
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL250004656948	1	33	-1.0	-49.27	295.39	5.00	-44.27
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CS1	REAL250004656949	0	30	-1.0	-48.28	281.13	3.97	-44.31
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CS1	REAL250004656949	1	30	-1.0	-48.25	281.07	3.95	-44.30
CC1=CN=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=N1	REAL250004656950	0	34	-1.0	-48.83	302.68	1.99	-46.84
CC1=CN=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=N1	REAL250004656950	1	34	-1.0	-48.90	302.62	1.98	-46.92
CC(C)(C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004656951	0	38	-1.0	-45.68	306.79	4.54	-41.14
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CCSCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657037	0	36	-1.0	-44.97	319.80	4.77	-40.20
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CCCSCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657041	0	36	-1.0	-48.25	319.62	4.76	-43.49
CCCSCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657041	1	36	-1.0	-48.22	319.57	4.75	-43.47
COC(=O)NCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657043	0	34	-1.0	-45.09	303.10	-0.25	-45.34
COC(=O)NCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657043	1	34	-1.0	-45.04	303.04	-0.27	-45.31
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CC1=NNC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL250004657045	1	33	-1.0	-45.62	292.73	1.99	-43.63
COC(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657046	0	33	-1.0	-50.15	286.11	2.71	-47.44
COC(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657046	1	33	-1.0	-50.12	286.05	2.69	-47.43
CC1=NN(C)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL250004657047	0	36	-1.0	-46.32	311.30	3.29	-43.03
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CC1=CN(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)N=C1	REAL250004657048	0	36	-1.0	-52.41	315.73	3.75	-48.66
CC1=CN(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)N=C1	REAL250004657048	1	36	-1.0	-52.38	315.67	3.73	-48.65
COC(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657049	0	33	-1.0	-50.15	286.11	2.71	-47.44
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CC(C)OCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657050	1	36	-1.0	-49.91	308.39	3.69	-46.22
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CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)N=CO1	REAL250004657052	1	32	-1.0	-49.00	285.98	0.36	-48.64
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NC(=O)CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657059	0	36	-1.0	-58.43	312.78	0.26	-58.17
NC(=O)CCCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657059	1	36	-1.0	-58.44	312.72	0.24	-58.20
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CC(C)(F)CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657453	0	38	-1.0	-45.21	319.10	4.73	-40.48
CC(C)(F)CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657453	1	38	-1.0	-45.16	319.04	4.71	-40.45
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C#CCOCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657455	1	32	-1.0	-52.23	293.90	3.49	-48.74
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C#C[C@H]1C[C@H]1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657456	1	32	-1.0	-50.01	286.97	4.57	-45.44
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CC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CN1C	REAL250004657459	1	37	-1.0	-55.25	317.95	4.99	-50.26
CN(CC1CCCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004657460	0	39	-1.0	-50.69	309.98	4.27	-46.42
CN(CC1CCCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004657460	1	39	-1.0	-50.65	310.04	4.28	-46.37
CCCN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004657461	0	47	-1.0	-46.55	357.92	7.51	-39.04
CCCN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004657461	1	47	-1.0	-46.57	357.98	7.52	-39.05
CC1=CC2=NC(CNC(=O)CCCC3=N[N-]N=N3)=CN2C=C1	REAL250004657462	0	38	-1.0	-52.52	327.49	4.63	-47.89
CC1=CC2=NC(CNC(=O)CCCC3=NN=N[N-]3)=CN2C=C1	REAL250004657462	1	38	-1.0	-52.52	327.55	4.65	-47.87
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CC(C)(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004657464	0	38	-1.0	-47.87	313.64	3.21	-44.66
CC(C)(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004657464	1	38	-1.0	-47.88	313.70	3.22	-44.66
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CCCCCCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657466	0	49	-1.0	-47.47	387.76	8.03	-39.44
CCCCCCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657466	1	49	-1.0	-47.45	387.82	8.05	-39.40
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CCCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657470	0	47	-1.0	-47.05	363.49	5.95	-41.10
CCCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657470	1	47	-1.0	-47.06	363.55	5.96	-41.10
CCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004657471	0	32	-1.0	-37.85	286.06	1.88	-35.97
CCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004657471	1	32	-1.0	-37.81	286.13	1.90	-35.91
CN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004657472	0	31	-1.0	-47.78	276.90	3.73	-44.05
CN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004657472	1	31	-1.0	-47.80	276.96	3.74	-44.06
CCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004657474	0	39	-1.0	-48.10	311.12	3.57	-44.53
CCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004657474	1	39	-1.0	-48.13	311.18	3.58	-44.55
CN(CCC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004657475	0	37	-1.0	-50.01	313.55	4.61	-45.40
CN(CCC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004657475	1	37	-1.0	-50.03	313.61	4.62	-45.41
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004657476	0	37	-1.0	-35.29	301.37	3.12	-32.17
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004657476	1	37	-1.0	-35.29	301.44	3.14	-32.15
CC1=NOC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004657477	0	34	-1.0	-46.77	296.21	2.25	-44.52
CC1=NOC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004657477	1	34	-1.0	-46.79	296.27	2.26	-44.53
CC1=NOC(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657478	0	34	-1.0	-37.17	306.95	2.05	-35.12
CC1=NOC(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657478	1	34	-1.0	-37.12	307.02	2.05	-35.07
CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004657479	0	39	-1.0	-50.04	323.44	5.40	-44.64
CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004657479	1	39	-1.0	-50.07	323.50	5.41	-44.66
C=CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004657480	0	37	-1.0	-52.74	317.25	4.17	-48.57
C=CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004657480	1	37	-1.0	-52.73	317.31	4.18	-48.55
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC(F)=CC=C21	REAL250004657481	0	36	-1.0	-48.99	308.45	4.79	-44.20
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC(F)=CC=C21	REAL250004657481	1	36	-1.0	-49.01	308.50	4.80	-44.21
CN(CC1=CSC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004657482	0	31	-1.0	-53.20	281.53	2.58	-50.62
CN(CC1=CSC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004657482	1	31	-1.0	-53.23	281.59	2.60	-50.63
COCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657483	0	36	-1.0	-49.55	308.25	-0.22	-49.77
COCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657483	1	36	-1.0	-49.54	308.31	-0.20	-49.74
COCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657484	0	36	-1.0	-38.61	318.85	-0.42	-39.03
COCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657484	1	36	-1.0	-38.56	318.91	-0.41	-38.97
CCC1=NC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004657485	0	37	-1.0	-53.42	325.23	4.07	-49.35
CCC1=NC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004657485	1	37	-1.0	-53.49	325.29	4.08	-49.41
CC(O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004657487	0	39	-1.0	-47.55	329.80	1.76	-45.79
CC(O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004657487	1	39	-1.0	-47.54	329.86	1.78	-45.76
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004657488	0	39	-1.0	-46.86	328.66	3.52	-43.34
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004657488	1	39	-1.0	-46.86	328.72	3.54	-43.32
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004657489	0	35	-1.0	-34.77	299.80	3.21	-31.56
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004657489	1	35	-1.0	-34.75	299.87	3.22	-31.53
CCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657490	0	44	-1.0	-47.09	341.99	5.17	-41.92
CCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657490	1	44	-1.0	-47.09	342.05	5.18	-41.91
CN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004657491	0	32	-1.0	-38.92	292.49	1.07	-37.85
CN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004657491	1	32	-1.0	-38.95	292.56	1.07	-37.88
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004657492	0	42	-1.0	-49.50	336.70	6.85	-42.65
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004657492	1	42	-1.0	-49.52	336.76	6.86	-42.66
N#CC1=C(N)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004657493	0	27	-1.0	-36.95	262.68	1.88	-35.07
N#CC1=C(N)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004657493	1	27	-1.0	-36.92	262.74	1.88	-35.04
CC(=O)NCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657494	0	42	-1.0	-54.79	336.52	2.68	-52.11
CC(=O)NCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657494	1	42	-1.0	-54.77	336.57	2.70	-52.07
CN(C)C(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657495	0	38	-1.0	-50.86	318.06	1.51	-49.35
CN(C)C(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657495	1	38	-1.0	-50.89	318.11	1.53	-49.36
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004657496	0	38	-1.0	-49.25	317.68	6.26	-42.99
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004657496	1	38	-1.0	-49.26	317.74	6.28	-42.98
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657497	0	41	-1.0	-46.06	322.01	4.49	-41.57
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657497	1	41	-1.0	-46.13	322.07	4.51	-41.62
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657498	0	41	-1.0	-45.98	314.98	4.28	-41.70
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657498	1	41	-1.0	-45.95	315.04	4.29	-41.66
CN(C(=O)CCCC1=N[N-]N=N1)C1CC2=CC=CC=C2C1	REAL250004657499	0	39	-1.0	-47.98	314.88	6.42	-41.56
CN(C(=O)CCCC1=NN=N[N-]1)C1CC2=CC=CC=C2C1	REAL250004657499	1	39	-1.0	-48.00	314.93	6.43	-41.57
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=N1	REAL250004657500	0	38	-1.0	-51.29	316.11	5.01	-46.28
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=N1	REAL250004657500	1	38	-1.0	-51.30	316.17	5.03	-46.27
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004657501	0	35	-1.0	-45.48	310.08	4.19	-41.29
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004657501	1	35	-1.0	-45.52	310.14	4.20	-41.32
CCOC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004657502	0	34	-1.0	-45.23	295.07	2.34	-42.89
CCOC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004657502	1	34	-1.0	-45.20	295.12	2.35	-42.85
CCOC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657503	0	34	-1.0	-36.96	305.66	2.12	-34.84
CCOC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657503	1	34	-1.0	-36.90	305.73	2.14	-34.76
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004657505	0	39	-1.0	-48.54	324.69	4.32	-44.22
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004657505	1	39	-1.0	-48.56	324.75	4.34	-44.22
O=C(NC1CCN(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657507	1	38	-1.0	-34.64	321.70	1.11	-33.53
O=C(NC1CCN(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657507	1	38	-1.0	-34.65	321.77	1.12	-33.53
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2N=C1	REAL250004657508	0	37	-1.0	-48.63	320.32	3.85	-44.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2N=C1	REAL250004657508	1	37	-1.0	-48.59	320.26	3.83	-44.76
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004657509	0	31	-1.0	-47.07	276.01	1.65	-45.42
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004657509	1	31	-1.0	-47.10	276.07	1.66	-45.44
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004657510	0	31	-1.0	-37.48	286.60	1.44	-36.04
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004657510	1	31	-1.0	-37.52	286.67	1.44	-36.08
CC(C)(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004657511	0	39	-1.0	-49.50	324.76	3.33	-46.17
CC(C)(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004657511	1	39	-1.0	-49.49	324.70	3.32	-46.17
O=C(NCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657512	0	33	-1.0	-36.68	285.56	0.43	-36.25
O=C(NCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657512	1	33	-1.0	-36.72	285.62	0.44	-36.28
CN1N=C2CCCC2=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657513	0	36	-1.0	-50.43	297.44	3.83	-46.60
CN1N=C2CCCC2=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657513	1	36	-1.0	-50.44	297.49	3.85	-46.59
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2CC2)=C1	REAL250004657514	0	33	-1.0	-48.13	285.93	2.89	-45.24
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2CC2)=C1	REAL250004657514	1	33	-1.0	-48.12	285.99	2.91	-45.21
O=C(NC1=NNC(C2CC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657515	0	33	-1.0	-37.47	296.50	2.71	-34.76
O=C(NC1=NNC(C2CC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657515	1	33	-1.0	-37.48	296.57	2.72	-34.76
O=C(NC1=NNC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657516	0	26	-1.0	-38.71	242.65	0.57	-38.14
O=C(NC1=NNC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657516	1	26	-1.0	-38.66	242.72	0.59	-38.07
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CN1C(F)F	REAL250004657518	0	32	-1.0	-52.61	291.81	1.98	-50.63
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CN1C(F)F	REAL250004657518	1	32	-1.0	-52.62	291.87	1.99	-50.63
CC1=C2C=C(NC(=O)CCCC3=N[N-]N=N3)C=NC2=NN1	REAL250004657519	0	34	-1.0	-60.19	296.35	1.85	-58.34
CC1=C2C=C(NC(=O)CCCC3=NN=N[N-]3)C=NC2=NN1	REAL250004657519	1	34	-1.0	-60.18	296.40	1.87	-58.31
C#CCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657520	0	39	-1.0	-48.01	317.20	3.02	-44.99
C#CCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657520	1	39	-1.0	-48.01	317.26	3.04	-44.97
CCN(CC(C)C#N)C(=O)CCCC1=N[N-]N=N1	REAL250004657521	0	35	-1.0	-49.78	292.71	4.44	-45.34
CCN(CC(C)C#N)C(=O)CCCC1=NN=N[N-]1	REAL250004657521	1	35	-1.0	-49.81	292.77	4.46	-45.35
CCN(CC(C)C#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657522	0	35	-1.0	-37.56	299.08	5.18	-32.38
CCN(CC(C)C#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657522	1	35	-1.0	-37.54	299.15	5.19	-32.35
CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657523	0	34	-1.0	-34.73	287.15	2.48	-32.25
CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657523	1	34	-1.0	-34.72	287.22	2.50	-32.22
O=C(CCCC1=NN=N[N-]1)NCCNC1=CN=CC=N1	REAL250004657526	0	35	-1.0	-50.98	303.85	-0.34	-51.32
O=C(CCCC1=N[N-]N=N1)NCCNC1=CN=CC=N1	REAL250004657526	1	35	-1.0	-50.95	303.79	-0.35	-51.30
COCCCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657527	0	42	-1.0	-54.15	352.51	1.14	-53.01
COCCCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657527	1	42	-1.0	-54.11	352.57	1.16	-52.95
CCOC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004657528	0	34	-1.0	-53.13	296.50	2.16	-50.97
CCOC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004657528	1	34	-1.0	-53.13	296.55	2.17	-50.96
CCOC(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657529	0	34	-1.0	-39.11	307.09	1.95	-37.16
CCOC(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657529	1	34	-1.0	-39.13	307.16	1.96	-37.17
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC(C)(C)C	REAL250004657530	0	41	-1.0	-47.05	331.53	1.11	-45.94
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC(C)(C)C	REAL250004657530	1	41	-1.0	-47.03	331.59	1.12	-45.91
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2CC2)=NO1	REAL250004657531	0	34	-1.0	-46.36	302.04	0.60	-45.76
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2CC2)=NO1	REAL250004657531	1	34	-1.0	-46.41	302.10	0.62	-45.79
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1CC1	REAL250004657532	0	36	-1.0	-50.07	310.79	0.39	-49.68
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1CC1	REAL250004657532	1	36	-1.0	-50.08	310.85	0.41	-49.67
CCOC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657533	0	34	-1.0	-51.26	293.56	3.91	-47.35
CCOC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657533	1	34	-1.0	-51.29	293.62	3.92	-47.37
CCOC(=O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657534	0	34	-1.0	-40.08	301.25	4.29	-35.79
CCOC(=O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657534	1	34	-1.0	-40.07	301.32	4.31	-35.76
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004657535	0	41	-1.0	-48.38	337.33	5.37	-43.01
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004657535	1	41	-1.0	-48.38	337.39	5.39	-42.99
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC2)CC1	REAL250004657536	0	38	-1.0	-46.19	298.56	2.48	-43.71
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC2)CC1	REAL250004657536	1	38	-1.0	-46.19	298.62	2.50	-43.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2CC2)CC1	REAL250004657537	0	38	-1.0	-34.66	310.27	2.94	-31.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2CC2)CC1	REAL250004657537	1	38	-1.0	-34.62	310.34	2.95	-31.67
CC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004657538	0	33	-1.0	-52.50	292.16	-0.15	-52.65
CC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004657538	1	33	-1.0	-52.49	292.22	-0.13	-52.62
CCCCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004657539	0	38	-1.0	-48.03	318.49	3.64	-44.39
CCCCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004657539	1	38	-1.0	-48.04	318.55	3.65	-44.39
CN(CC1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004657540	0	38	-1.0	-47.63	297.55	5.09	-42.54
CN(CC1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004657540	1	38	-1.0	-47.69	297.61	5.10	-42.59
CN(CC1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657541	0	38	-1.0	-35.61	304.57	5.55	-30.06
CN(CC1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657541	1	38	-1.0	-35.62	304.64	5.56	-30.06
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2)C1	REAL250004657542	0	39	-1.0	-48.15	319.80	6.31	-41.84
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2)C1	REAL250004657542	1	39	-1.0	-48.16	319.85	6.32	-41.84
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004657543	0	35	-1.0	-52.22	297.58	3.48	-48.74
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004657543	1	35	-1.0	-52.20	297.64	3.49	-48.71
CC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004657544	0	36	-1.0	-51.23	298.86	6.24	-44.99
CC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004657544	1	36	-1.0	-51.26	298.92	6.25	-45.01
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004657545	0	39	-1.0	-46.06	306.18	3.48	-42.58
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004657545	1	39	-1.0	-46.06	306.24	3.49	-42.57
CCCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657546	0	39	-1.0	-47.09	324.36	4.51	-42.58
CCCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657546	1	39	-1.0	-47.13	324.42	4.52	-42.61
COC1=CC=C(C)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004657547	0	39	-1.0	-48.17	328.92	3.48	-44.69
COC1=CC=C(C)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004657547	1	39	-1.0	-48.12	328.98	3.50	-44.62
O=C(CCCC1=N[N-]N=N1)NC1CCCNC1=O	REAL250004657548	0	33	-1.0	-57.50	276.17	-0.65	-58.15
O=C(CCCC1=NN=N[N-]1)NC1CCCNC1=O	REAL250004657548	1	33	-1.0	-57.46	276.23	-0.64	-58.10
O=C(NC1CCCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657549	0	33	-1.0	-44.37	286.84	-0.91	-45.28
O=C(NC1CCCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657549	1	33	-1.0	-44.33	286.90	-0.91	-45.24
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=C1Cl	REAL250004657550	0	35	-1.0	-49.05	313.26	4.62	-44.43
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=C1Cl	REAL250004657550	1	35	-1.0	-49.07	313.32	4.63	-44.44
CC(C)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657551	0	41	-1.0	-46.75	335.19	2.61	-44.14
CC(C)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657551	1	41	-1.0	-46.72	335.25	2.63	-44.09
CCCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657552	0	38	-1.0	-46.79	317.62	2.10	-44.69
CCCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657552	1	38	-1.0	-46.80	317.68	2.12	-44.68
CCCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657553	0	38	-1.0	-36.61	328.22	1.89	-34.72
CCCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657553	1	38	-1.0	-36.54	328.29	1.91	-34.63
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004657554	0	41	-1.0	-45.95	335.12	5.17	-40.78
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004657554	1	41	-1.0	-45.95	335.17	5.19	-40.76
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004657555	0	35	-1.0	-47.79	294.57	2.71	-45.08
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004657555	1	35	-1.0	-47.78	294.63	2.72	-45.06
CC(C)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004657556	0	35	-1.0	-37.35	305.14	2.51	-34.84
CC(C)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004657556	1	35	-1.0	-37.35	305.21	2.53	-34.82
O=C(NCC1=COC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657557	0	29	-1.0	-36.66	270.41	1.24	-35.42
O=C(NCC1=COC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657557	1	29	-1.0	-36.58	270.48	1.24	-35.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2N=CC=N2)C=C1	REAL250004657558	0	35	-1.0	-52.74	306.92	3.25	-49.49
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2N=CC=N2)C=C1	REAL250004657558	1	35	-1.0	-52.73	306.86	3.24	-49.49
CC(=O)N(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657559	0	42	-1.0	-51.50	329.28	3.73	-47.77
CC(=O)N(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657559	1	42	-1.0	-51.56	329.34	3.74	-47.82
COC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004657560	0	38	-1.0	-54.57	306.23	5.17	-49.40
COC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004657560	1	38	-1.0	-54.55	306.29	5.19	-49.36
COCC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657561	0	35	-1.0	-35.67	303.08	0.86	-34.81
COCC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657561	1	35	-1.0	-35.65	303.15	0.87	-34.78
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SC=C1	REAL250004657562	0	32	-1.0	-45.76	288.47	3.13	-42.63
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SC=C1	REAL250004657562	1	32	-1.0	-45.77	288.53	3.14	-42.63
COCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657563	0	32	-1.0	-36.01	276.58	2.15	-33.86
COCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657563	1	32	-1.0	-35.92	276.65	2.18	-33.74
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=C2)N=C1	REAL250004657564	0	36	-1.0	-53.20	311.31	4.53	-48.67
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=C2)N=C1	REAL250004657564	1	36	-1.0	-53.16	311.26	4.52	-48.64
O=C(NCC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657565	0	36	-1.0	-34.99	303.99	3.55	-31.44
O=C(NCC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657565	1	36	-1.0	-35.01	304.06	3.56	-31.45
CC(C)(C)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657566	0	38	-1.0	-46.81	308.93	1.66	-45.15
CC(C)(C)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657566	1	38	-1.0	-46.80	308.99	1.67	-45.13
CC(C)(C)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657567	0	38	-1.0	-36.47	319.52	1.45	-35.02
CC(C)(C)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657567	1	38	-1.0	-36.42	319.59	1.46	-34.96
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=NNC=C21	REAL250004657570	0	35	-1.0	-53.12	300.11	2.76	-50.36
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=NNC=C21	REAL250004657570	1	35	-1.0	-53.12	300.17	2.78	-50.34
CC(=O)NCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004657571	0	42	-1.0	-53.69	336.27	2.65	-51.04
CC(=O)NCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004657571	1	42	-1.0	-53.69	336.33	2.66	-51.03
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL250004657572	0	42	-1.0	-48.01	342.76	6.18	-41.83
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL250004657572	1	42	-1.0	-47.98	342.82	6.19	-41.79
CC(C)CC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004657573	0	41	-1.0	-49.79	333.90	4.95	-44.84
CC(C)CC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004657573	1	41	-1.0	-49.83	333.96	4.96	-44.87
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC)=N1	REAL250004657574	0	36	-1.0	-46.46	311.67	-1.05	-47.51
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC)=N1	REAL250004657574	1	36	-1.0	-46.48	311.62	-1.07	-47.55
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC(F)=C1	REAL250004657575	0	36	-1.0	-48.61	314.94	1.16	-47.45
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC(F)=C1	REAL250004657575	1	36	-1.0	-48.61	315.00	1.17	-47.44
CC(C)(C)OC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657577	0	42	-1.0	-49.00	345.69	0.23	-48.77
CC(C)(C)OC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657577	1	42	-1.0	-49.02	345.74	0.25	-48.77
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC=C21	REAL250004657578	0	34	-1.0	-46.00	292.97	2.66	-43.34
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC=C21	REAL250004657578	1	34	-1.0	-46.02	293.03	2.67	-43.35
CC(COCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004657579	0	35	-1.0	-48.20	313.15	1.91	-46.29
CC(COCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004657579	1	35	-1.0	-48.25	313.20	1.92	-46.33
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004657581	0	35	-1.0	-48.27	306.25	0.12	-48.15
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004657581	1	35	-1.0	-48.27	306.31	0.13	-48.14
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NC=CN1	REAL250004657582	0	39	-1.0	-52.66	310.59	3.46	-49.20
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NC=CN1	REAL250004657582	1	39	-1.0	-52.67	310.65	3.47	-49.20
CC1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004657583	0	35	-1.0	-53.22	300.81	2.85	-50.37
CC1=NC=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004657583	1	35	-1.0	-53.27	300.87	2.86	-50.41
CC1=NC=CN1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657584	0	35	-1.0	-39.99	311.40	2.64	-37.35
CC1=NC=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657584	1	35	-1.0	-39.99	311.47	2.65	-37.34
CC1=NOC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004657585	0	33	-1.0	-46.37	291.00	-0.16	-46.53
CC1=NOC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004657585	1	33	-1.0	-46.43	291.06	-0.14	-46.57
O=C(CCCC1=N[N-]N=N1)NOC1CCCCO1	REAL250004657586	0	34	-1.0	-52.16	286.15	2.69	-49.47
O=C(CCCC1=NN=N[N-]1)NOC1CCCCO1	REAL250004657586	1	34	-1.0	-52.18	286.21	2.70	-49.48
O=C(NOC1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657587	0	34	-1.0	-38.09	296.74	2.49	-35.60
O=C(NOC1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657587	1	34	-1.0	-38.06	296.81	2.50	-35.56
CSC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004657588	0	29	-1.0	-51.90	273.41	3.33	-48.57
CSC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004657588	1	29	-1.0	-51.91	273.47	3.35	-48.56
NC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004657589	0	34	-1.0	-50.83	285.87	-0.89	-51.72
NC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004657589	1	34	-1.0	-50.81	285.92	-0.88	-51.69
C#CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004657591	0	34	-1.0	-51.37	304.42	5.17	-46.20
C#CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004657591	1	34	-1.0	-51.38	304.48	5.19	-46.19
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004657593	0	39	-1.0	-47.03	321.14	2.01	-45.02
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004657593	1	39	-1.0	-47.04	321.20	2.02	-45.02
N#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004657594	0	33	-1.0	-39.48	285.07	4.09	-35.39
N#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004657594	1	33	-1.0	-39.45	285.14	4.10	-35.35
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1O	REAL250004657595	0	33	-1.0	-47.36	289.05	0.66	-46.70
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1O	REAL250004657595	1	33	-1.0	-47.36	289.10	0.68	-46.68
O=C(NCC1=CC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657596	0	33	-1.0	-37.82	299.64	0.46	-37.36
O=C(NCC1=CC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657596	1	33	-1.0	-37.84	299.71	0.46	-37.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=CC=CN=C21	REAL250004657597	0	37	-1.0	-51.30	319.24	3.98	-47.32
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=CC=CN=C21	REAL250004657597	1	37	-1.0	-51.31	319.19	3.97	-47.34
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CN=C2)=C1	REAL250004657598	0	35	-1.0	-51.42	305.32	2.51	-48.91
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CN=C2)=C1	REAL250004657598	1	35	-1.0	-51.40	305.38	2.52	-48.88
COCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004657599	0	38	-1.0	-47.64	317.34	1.86	-45.78
COCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004657599	1	38	-1.0	-47.66	317.40	1.87	-45.79
COCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657600	0	38	-1.0	-36.48	327.93	1.65	-34.83
COCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657600	1	38	-1.0	-36.45	328.00	1.66	-34.79
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=NC=C2)=C1	REAL250004657601	0	35	-1.0	-48.95	305.55	2.50	-46.45
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=NC=C2)=C1	REAL250004657601	1	35	-1.0	-48.97	305.61	2.51	-46.46
CCCN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004657602	0	34	-1.0	-51.32	285.74	4.37	-46.95
CCCN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004657602	1	34	-1.0	-51.32	285.80	4.38	-46.94
CCCN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657603	0	34	-1.0	-39.12	294.91	5.19	-33.93
CCCN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657603	1	34	-1.0	-39.12	294.98	5.20	-33.92
O=C(CCCC1=N[N-]N=N1)NNC(=O)C(=O)N1CCCC1	REAL250004657604	0	37	-1.0	-48.67	316.31	-0.05	-48.72
O=C(CCCC1=NN=N[N-]1)NNC(=O)C(=O)N1CCCC1	REAL250004657604	1	37	-1.0	-48.73	316.37	-0.03	-48.76
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCCC1	REAL250004657606	0	42	-1.0	-46.58	340.89	3.36	-43.22
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCCC1	REAL250004657606	1	42	-1.0	-46.58	340.94	3.37	-43.21
CCCCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657607	0	38	-1.0	-48.97	318.22	4.44	-44.53
CCCCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657607	1	38	-1.0	-48.99	318.16	4.43	-44.56
C=CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004657608	0	39	-1.0	-48.09	330.23	7.10	-40.99
C=CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004657608	1	39	-1.0	-48.15	330.29	7.11	-41.04
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004657609	0	38	-1.0	-47.63	319.59	3.84	-43.79
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004657609	1	38	-1.0	-47.67	319.65	3.86	-43.81
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004657610	0	36	-1.0	-54.75	301.09	3.43	-51.32
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004657610	1	36	-1.0	-54.70	301.03	3.41	-51.29
CCN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004657611	0	34	-1.0	-47.25	296.87	4.64	-42.61
CCN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004657611	1	34	-1.0	-47.25	296.92	4.66	-42.59
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(O)=C1	REAL250004657612	0	36	-1.0	-50.63	311.61	1.39	-49.24
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(O)=C1	REAL250004657612	1	36	-1.0	-50.66	311.67	1.41	-49.25
N#CC1=CC=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004657613	0	34	-1.0	-48.30	312.69	2.60	-45.70
N#CC1=CC=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004657613	1	34	-1.0	-48.28	312.75	2.62	-45.66
O=C(NC1=CC=CNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657614	0	29	-1.0	-49.66	269.39	1.20	-48.46
O=C(NC1=CC=CNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657614	1	29	-1.0	-49.62	269.46	1.22	-48.40
C=C(Br)CNC(=O)CCCC1=N[N-]N=N1	REAL250004657616	0	26	-1.0	-45.45	253.31	1.64	-43.81
C=C(Br)CNC(=O)CCCC1=NN=N[N-]1	REAL250004657616	1	26	-1.0	-45.45	253.37	1.66	-43.79
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004657617	0	39	-1.0	-48.40	316.32	5.41	-42.99
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004657617	1	39	-1.0	-48.39	316.38	5.42	-42.97
COCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657618	0	35	-1.0	-37.54	300.12	2.81	-34.73
COCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657618	1	35	-1.0	-37.55	300.20	2.84	-34.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CNC(=O)C2=C1	REAL250004657619	0	34	-1.0	-63.90	295.52	0.84	-63.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CNC(=O)C2=C1	REAL250004657619	1	34	-1.0	-63.91	295.58	0.85	-63.06
CC(C1=CC=NC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657620	0	37	-1.0	-49.45	300.99	4.02	-45.43
CC(C1=CC=NC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657620	1	37	-1.0	-49.49	301.05	4.04	-45.45
CC(C1=CC=CN=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657621	0	37	-1.0	-49.35	302.55	4.22	-45.13
CC(C1=CC=CN=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657621	1	37	-1.0	-49.35	302.50	4.20	-45.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OCCC2=C1	REAL250004657622	0	34	-1.0	-50.18	289.19	3.19	-46.99
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OCCC2=C1	REAL250004657622	1	34	-1.0	-50.23	289.25	3.21	-47.02
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=CC1=O	REAL250004657623	0	38	-1.0	-56.92	325.89	3.32	-53.60
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=CC1=O	REAL250004657623	1	38	-1.0	-56.89	325.95	3.33	-53.56
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004657624	0	39	-1.0	-46.86	328.66	3.52	-43.34
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004657624	1	39	-1.0	-46.86	328.72	3.54	-43.32
CC(C1=CC=CC=N1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004657626	0	37	-1.0	-47.89	305.30	4.96	-42.93
CC(C1=CC=CC=N1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004657626	1	37	-1.0	-47.84	305.36	4.98	-42.86
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004657627	0	34	-1.0	-46.92	292.98	2.73	-44.19
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004657627	1	34	-1.0	-46.94	293.04	2.74	-44.20
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004657628	0	34	-1.0	-38.35	303.56	2.53	-35.82
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004657628	1	34	-1.0	-38.28	303.63	2.54	-35.74
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1C1CCCC21	REAL250004657629	0	43	-1.0	-47.15	325.62	5.14	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1C1CCCC21	REAL250004657629	1	43	-1.0	-47.20	325.68	5.15	-42.05
COC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657630	0	39	-1.0	-48.28	331.97	3.43	-44.85
COC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657630	1	39	-1.0	-48.29	332.02	3.44	-44.85
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004657631	0	35	-1.0	-51.00	292.35	4.09	-46.91
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004657631	1	35	-1.0	-51.01	292.41	4.11	-46.90
CC1=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL250004657632	0	35	-1.0	-37.92	304.99	5.13	-32.79
CC1=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL250004657632	1	35	-1.0	-37.91	305.06	5.13	-32.78
CC1CC1C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004657633	0	36	-1.0	-47.99	307.30	3.57	-44.42
CC1CC1C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004657633	1	36	-1.0	-47.98	307.36	3.58	-44.40
CC1=CC(C(N)=O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657634	0	36	-1.0	-50.25	306.16	1.03	-49.22
CC1=CC(C(N)=O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657634	1	36	-1.0	-50.22	306.22	1.05	-49.17
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC(=O)N2)CC1	REAL250004657635	0	37	-1.0	-51.23	301.73	0.78	-50.45
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC(=O)N2)CC1	REAL250004657635	1	37	-1.0	-51.26	301.79	0.79	-50.47
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL250004657636	0	32	-1.0	-36.39	291.52	2.02	-34.37
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL250004657636	1	32	-1.0	-36.40	291.59	2.02	-34.38
O=C(CCCC1=N[N-]N=N1)NCC1CCCCO1	REAL250004657637	0	36	-1.0	-46.73	294.04	1.63	-45.10
O=C(CCCC1=NN=N[N-]1)NCC1CCCCO1	REAL250004657637	1	36	-1.0	-46.71	294.10	1.64	-45.07
O=C(NCC1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657638	0	36	-1.0	-36.21	304.94	1.36	-34.85
O=C(NCC1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657638	1	36	-1.0	-36.15	305.01	1.36	-34.79
CN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657639	0	32	-1.0	-35.60	276.63	4.55	-31.05
CN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657639	1	32	-1.0	-35.57	276.70	4.56	-31.01
CC1=CN=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657640	0	31	-1.0	-35.72	276.57	2.23	-33.49
CC1=CN=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657640	1	31	-1.0	-35.72	276.64	2.23	-33.49
C#CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004657641	0	31	-1.0	-47.18	283.91	-0.54	-47.72
C#CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004657641	1	31	-1.0	-47.13	283.97	-0.53	-47.66
C#CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657642	0	31	-1.0	-39.89	294.51	-0.76	-40.65
C#CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657642	1	31	-1.0	-39.86	294.58	-0.74	-40.60
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CS1	REAL250004657643	0	31	-1.0	-50.12	285.37	1.37	-48.75
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CS1	REAL250004657643	1	31	-1.0	-50.16	285.43	1.39	-48.77
CC1=C(C2CC2)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657644	0	36	-1.0	-53.98	305.56	3.74	-50.24
CC1=C(C2CC2)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657644	1	36	-1.0	-53.95	305.62	3.76	-50.19
CC(C)C1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004657646	0	34	-1.0	-36.58	300.23	4.40	-32.18
CC(C)C1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004657646	1	34	-1.0	-36.59	300.16	4.40	-32.19
CN(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004657647	0	40	-1.0	-47.07	331.60	3.89	-43.18
CN(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004657647	1	40	-1.0	-47.08	331.66	3.91	-43.17
CN(C(=O)CCCC1=N[N-]N=N1)C(C1CC1)C1CC1	REAL250004657648	0	39	-1.0	-48.04	317.23	6.19	-41.85
CN(C(=O)CCCC1=NN=N[N-]1)C(C1CC1)C1CC1	REAL250004657648	1	39	-1.0	-48.02	317.29	6.21	-41.81
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=N1	REAL250004657649	0	28	-1.0	-47.76	263.70	0.46	-47.30
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=N1	REAL250004657649	1	28	-1.0	-47.82	263.76	0.47	-47.35
O=C(NCC1=CSC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657650	0	28	-1.0	-37.38	274.29	0.24	-37.14
O=C(NCC1=CSC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657650	1	28	-1.0	-37.34	274.36	0.25	-37.09
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=NC=N2)CC1	REAL250004657651	0	38	-1.0	-51.51	311.45	5.58	-45.93
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=NC=N2)CC1	REAL250004657651	1	38	-1.0	-51.50	311.39	5.57	-45.93
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CN=C2)CC1	REAL250004657652	0	39	-1.0	-51.40	317.05	5.80	-45.60
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CN=C2)CC1	REAL250004657652	1	39	-1.0	-51.40	317.11	5.81	-45.59
CC(C)CN1C=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004657653	0	38	-1.0	-55.92	316.85	6.77	-49.15
CC(C)CN1C=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004657653	1	38	-1.0	-55.93	316.80	6.75	-49.18
CCOCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657654	0	35	-1.0	-35.94	304.17	1.25	-34.69
CCOCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657654	1	35	-1.0	-35.92	304.23	1.26	-34.66
CC(N(C)C(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004657656	0	40	-1.0	-45.58	298.74	4.90	-40.68
CC(N(C)C(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004657656	1	40	-1.0	-45.58	298.80	4.91	-40.67
CC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657657	0	39	-1.0	-50.36	316.52	1.96	-48.40
CC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657657	1	39	-1.0	-50.38	316.58	1.97	-48.41
CC(CN1C=NC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004657658	0	34	-1.0	-53.89	295.05	4.19	-49.70
CC(CN1C=NC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004657658	1	34	-1.0	-53.89	294.99	4.18	-49.71
CC(CN1C=NC=N1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657659	0	34	-1.0	-43.59	307.44	3.52	-40.07
CC(CN1C=NC=N1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004657659	1	34	-1.0	-43.64	307.38	3.50	-40.14
CC(C)(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004657660	0	38	-1.0	-52.65	315.27	3.12	-49.53
CC(C)(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004657660	1	38	-1.0	-52.62	315.21	3.11	-49.51
CC(=O)NCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657661	0	33	-1.0	-56.84	291.65	0.91	-55.93
CC(=O)NCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657661	1	33	-1.0	-56.84	291.69	0.90	-55.94
O=C(COC1=CC=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657662	0	34	-1.0	-50.51	300.05	5.38	-45.13
O=C(COC1=CC=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657662	1	34	-1.0	-50.50	300.10	5.37	-45.13
O=C(CCC1=CSC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657663	0	33	-1.0	-45.60	302.52	5.31	-40.29
O=C(CCC1=CSC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657663	1	33	-1.0	-45.61	302.56	5.30	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC=C1	REAL250004657664	0	29	-1.0	-46.15	261.75	3.13	-43.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=C1	REAL250004657664	1	29	-1.0	-46.15	261.70	3.13	-43.02
O=C(CC1CC2CCC1C2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657665	0	40	-1.0	-46.56	315.98	6.15	-40.41
O=C(CC1CC2CCC1C2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657665	1	40	-1.0	-46.59	316.03	6.14	-40.45
O=C(CC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657666	0	36	-1.0	-46.17	294.02	5.21	-40.96
O=C(CC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657666	1	36	-1.0	-46.11	294.35	5.19	-40.92
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1	REAL250004657667	0	36	-1.0	-46.07	309.30	6.22	-39.85
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL250004657667	1	36	-1.0	-46.06	309.35	6.23	-39.83
O=C(CCC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657668	0	39	-1.0	-46.00	316.81	5.97	-40.03
O=C(CCC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657668	1	39	-1.0	-45.99	316.86	5.96	-40.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1	REAL250004657669	0	30	-1.0	-48.06	272.91	4.97	-43.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1	REAL250004657669	1	30	-1.0	-48.05	272.96	4.95	-43.10
O=C(CC1=CC=C(F)C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657670	0	33	-1.0	-48.90	297.55	5.64	-43.26
O=C(CC1=CC=C(F)C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657670	1	33	-1.0	-48.91	297.59	5.63	-43.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL250004657671	0	27	-1.0	-44.86	258.64	3.91	-40.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL250004657671	1	27	-1.0	-44.89	258.68	3.90	-40.99
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657672	0	31	-1.0	-45.33	279.86	1.93	-43.40
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657672	1	31	-1.0	-45.32	279.90	1.94	-43.38
CC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657673	0	35	-1.0	-45.09	284.30	4.47	-40.62
CC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657673	1	35	-1.0	-45.08	284.34	4.46	-40.62
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL250004657674	0	36	-1.0	-45.66	299.17	6.12	-39.54
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL250004657674	1	36	-1.0	-45.64	299.22	6.12	-39.52
O=C(CCC1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657675	0	35	-1.0	-47.62	307.14	4.60	-43.02
O=C(CCC1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657675	1	35	-1.0	-47.60	307.11	4.61	-42.99
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004657676	0	33	-1.0	-44.40	301.67	5.50	-38.90
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004657676	1	33	-1.0	-44.39	301.99	5.48	-38.91
CC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004657677	0	36	-1.0	-47.89	312.54	6.25	-41.64
CC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004657677	1	36	-1.0	-47.89	312.58	6.24	-41.65
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657678	0	30	-1.0	-44.56	272.63	3.73	-40.83
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657678	1	30	-1.0	-44.54	272.67	3.73	-40.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC=C1	REAL250004657679	0	27	-1.0	-49.02	249.91	2.88	-46.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC=C1	REAL250004657679	1	27	-1.0	-49.03	249.95	2.87	-46.16
COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657680	0	33	-1.0	-45.69	293.67	1.62	-44.07
COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657680	1	33	-1.0	-45.75	293.63	1.62	-44.13
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1=O	REAL250004657681	0	34	-1.0	-44.25	298.17	2.10	-42.15
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1=O	REAL250004657681	1	34	-1.0	-44.29	298.22	2.09	-42.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC1C2	REAL250004657682	0	37	-1.0	-45.56	296.65	5.44	-40.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1C2	REAL250004657682	1	37	-1.0	-45.56	296.98	5.43	-40.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COCCO1	REAL250004657683	0	30	-1.0	-50.00	264.65	2.48	-47.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COCCO1	REAL250004657683	1	30	-1.0	-50.03	264.69	2.47	-47.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=[N+]([O-])C=C1	REAL250004657684	0	30	-1.0	-55.81	273.96	3.52	-52.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=[N+]([O-])C=C1	REAL250004657684	1	30	-1.0	-55.82	274.00	3.52	-52.30
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1O	REAL250004657685	0	34	-1.0	-48.45	295.42	4.05	-44.40
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1O	REAL250004657685	1	34	-1.0	-48.49	295.47	4.05	-44.44
O=C(CCC1CCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657686	0	42	-1.0	-45.85	333.32	6.54	-39.31
O=C(CCC1CCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657686	1	42	-1.0	-45.85	333.36	6.53	-39.32
CC1=NOC(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657687	0	32	-1.0	-44.51	289.81	3.73	-40.78
CC1=NOC(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657687	1	32	-1.0	-44.53	289.86	3.72	-40.81
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657688	0	36	-1.0	-45.10	303.51	6.26	-38.84
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657688	1	36	-1.0	-45.09	303.55	6.26	-38.83
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL250004657689	0	34	-1.0	-45.78	291.54	4.84	-40.94
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL250004657689	1	34	-1.0	-45.77	291.58	4.83	-40.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CCC1	REAL250004657690	0	34	-1.0	-44.94	284.41	5.04	-39.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCC1	REAL250004657690	1	34	-1.0	-44.95	284.45	5.03	-39.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CN1	REAL250004657691	0	28	-1.0	-47.70	270.39	3.23	-44.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CN1	REAL250004657691	1	28	-1.0	-47.68	270.72	3.21	-44.47
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL250004657692	0	33	-1.0	-44.44	293.21	5.59	-38.85
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL250004657692	1	33	-1.0	-44.46	293.25	5.60	-38.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOCC1	REAL250004657693	0	34	-1.0	-46.81	283.18	2.72	-44.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOCC1	REAL250004657693	1	34	-1.0	-46.83	283.22	2.72	-44.11
O=C(CCC1=CC=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657694	0	33	-1.0	-45.74	302.76	5.47	-40.27
O=C(CCC1=CC=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657694	1	33	-1.0	-45.71	302.81	5.46	-40.25
O=C(CC1C=CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657695	0	34	-1.0	-46.75	286.48	5.11	-41.64
O=C(CC1C=CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657695	1	34	-1.0	-46.72	286.53	5.10	-41.62
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)S1	REAL250004657696	0	33	-1.0	-44.91	297.78	5.43	-39.48
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)S1	REAL250004657696	1	33	-1.0	-44.89	297.82	5.43	-39.46
CC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657697	0	29	-1.0	-42.76	267.16	2.93	-39.83
CC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657697	1	29	-1.0	-42.72	267.20	2.92	-39.80
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(O)=C1	REAL250004657698	0	34	-1.0	-48.23	296.75	4.00	-44.23
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(O)=C1	REAL250004657698	1	34	-1.0	-48.28	296.80	4.00	-44.28
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004657699	0	36	-1.0	-45.99	309.40	6.33	-39.66
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004657699	1	36	-1.0	-45.94	309.45	6.34	-39.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C[N+]([O-])=C1	REAL250004657700	0	30	-1.0	-63.64	273.77	3.51	-60.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C[N+]([O-])=C1	REAL250004657700	1	30	-1.0	-63.63	273.81	3.51	-60.12
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004657701	0	36	-1.0	-45.37	303.50	6.27	-39.10
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004657701	1	36	-1.0	-45.43	303.54	6.26	-39.17
O=C(CC1=CC=CC=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657702	0	33	-1.0	-48.74	296.56	5.61	-43.13
O=C(CC1=CC=CC=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657702	1	33	-1.0	-48.77	296.61	5.60	-43.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC=N1	REAL250004657703	0	28	-1.0	-45.69	258.26	1.33	-44.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC=N1	REAL250004657703	1	28	-1.0	-45.69	258.22	1.32	-44.37
COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657704	0	34	-1.0	-49.16	295.98	4.19	-44.97
COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657704	1	34	-1.0	-49.17	296.02	4.19	-44.98
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004657705	0	31	-1.0	-47.82	287.32	5.30	-42.52
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004657705	1	31	-1.0	-47.81	287.37	5.29	-42.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL250004657706	0	33	-1.0	-45.48	274.03	4.48	-41.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL250004657706	1	33	-1.0	-45.49	273.80	4.48	-41.01
CC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657707	0	33	-1.0	-45.63	282.41	5.59	-40.04
CC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657707	1	33	-1.0	-45.63	282.45	5.58	-40.05
CC1=C(C)SC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657708	0	33	-1.0	-44.88	298.74	5.24	-39.64
CC1=C(C)SC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657708	1	33	-1.0	-44.89	298.79	5.24	-39.65
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL250004657709	0	36	-1.0	-46.61	304.89	6.09	-40.52
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL250004657709	1	36	-1.0	-46.65	304.93	6.10	-40.55
CC1=CC=C(O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657710	0	34	-1.0	-47.95	296.80	4.01	-43.94
CC1=CC=C(O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657710	1	34	-1.0	-47.95	296.76	4.01	-43.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1	REAL250004657711	0	27	-1.0	-46.34	257.84	3.83	-42.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1	REAL250004657711	1	27	-1.0	-46.37	257.88	3.82	-42.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=N1	REAL250004657712	0	29	-1.0	-45.68	263.76	3.18	-42.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=N1	REAL250004657712	1	29	-1.0	-45.70	263.72	3.18	-42.52
CC(=O)C1=CNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657713	0	33	-1.0	-58.39	298.54	3.27	-55.12
CC(=O)C1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657713	1	33	-1.0	-58.30	298.86	3.25	-55.05
CC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657714	0	30	-1.0	-46.62	269.78	0.28	-46.34
CC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657714	1	30	-1.0	-46.60	269.83	0.28	-46.32
COCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657715	0	34	-1.0	-45.00	306.29	2.79	-42.21
COCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657715	1	34	-1.0	-45.01	306.33	2.79	-42.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CNC1=O	REAL250004657716	0	30	-1.0	-54.47	268.74	2.13	-52.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CNC1=O	REAL250004657716	1	30	-1.0	-54.46	268.79	2.12	-52.34
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004657717	0	29	-1.0	-43.92	267.13	2.99	-40.93
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004657717	1	29	-1.0	-43.94	267.18	2.98	-40.96
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL250004657718	0	33	-1.0	-45.07	289.83	4.52	-40.55
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004657718	1	33	-1.0	-45.07	289.86	4.51	-40.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCO1	REAL250004657719	0	31	-1.0	-49.48	266.85	3.08	-46.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCO1	REAL250004657719	1	31	-1.0	-49.49	266.89	3.07	-46.42
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL250004657720	0	30	-1.0	-45.44	267.89	3.69	-41.75
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004657720	1	30	-1.0	-45.44	267.93	3.68	-41.76
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SN=N1	REAL250004657721	0	28	-1.0	-43.49	266.44	2.09	-41.40
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SN=N1	REAL250004657721	1	28	-1.0	-43.51	266.48	2.08	-41.43
O=C(CN1C=CC=CC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657722	0	33	-1.0	-56.44	295.31	4.20	-52.24
O=C(CN1C=CC=CC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657722	1	33	-1.0	-56.44	295.35	4.19	-52.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN1	REAL250004657723	0	28	-1.0	-47.99	253.35	2.71	-45.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN1	REAL250004657723	1	28	-1.0	-48.06	253.39	2.70	-45.36
O=C(CC1=CSC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657724	0	30	-1.0	-47.42	281.12	4.51	-42.91
O=C(CC1=CSC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657724	1	30	-1.0	-47.44	281.16	4.50	-42.94
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657725	0	33	-1.0	-46.60	287.62	5.58	-41.02
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657725	1	33	-1.0	-46.57	287.97	5.55	-41.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL250004657726	0	30	-1.0	-48.47	279.05	5.40	-43.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL250004657726	1	30	-1.0	-48.48	279.09	5.40	-43.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(=O)C=C1	REAL250004657727	0	29	-1.0	-44.74	268.36	0.39	-44.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(=O)C=C1	REAL250004657727	1	29	-1.0	-44.77	268.41	0.38	-44.39
CN1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657728	0	31	-1.0	-45.63	271.31	4.35	-41.28
CN1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657728	1	31	-1.0	-45.67	271.35	4.34	-41.33
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657729	0	30	-1.0	-47.76	271.61	2.64	-45.12
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657729	1	30	-1.0	-47.78	271.56	2.65	-45.13
O=C(CC1=CC=CC(F)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657730	0	33	-1.0	-48.93	297.53	5.64	-43.29
O=C(CC1=CC=CC(F)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657730	1	33	-1.0	-48.97	297.29	5.64	-43.33
O=C(CC1CCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657731	0	39	-1.0	-46.13	310.68	5.86	-40.27
O=C(CC1CCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657731	1	39	-1.0	-46.10	311.00	5.83	-40.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL250004657732	0	30	-1.0	-45.41	272.92	4.95	-40.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1	REAL250004657732	1	30	-1.0	-45.36	272.96	4.95	-40.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL250004657733	0	30	-1.0	-45.07	283.24	5.40	-39.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL250004657733	1	30	-1.0	-45.08	283.28	5.40	-39.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1O	REAL250004657734	0	31	-1.0	-48.60	275.36	3.33	-45.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1O	REAL250004657734	1	31	-1.0	-48.63	275.41	3.33	-45.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL250004657735	0	29	-1.0	-45.94	261.55	3.12	-42.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL250004657735	1	29	-1.0	-45.95	261.50	3.12	-42.83
COC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657736	0	34	-1.0	-50.15	293.84	5.35	-44.80
COC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657736	1	34	-1.0	-50.17	293.89	5.35	-44.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL250004657737	0	27	-1.0	-45.19	250.73	2.90	-42.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL250004657737	1	27	-1.0	-45.23	250.78	2.91	-42.32
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL250004657738	0	30	-1.0	-44.40	275.26	4.60	-39.80
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL250004657738	1	30	-1.0	-44.40	275.30	4.59	-39.81
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004657739	0	30	-1.0	-44.72	280.16	4.71	-40.01
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004657739	1	30	-1.0	-44.75	280.48	4.70	-40.05
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004657740	0	30	-1.0	-44.96	268.63	3.59	-41.37
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004657740	1	30	-1.0	-44.98	268.67	3.59	-41.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1	REAL250004657741	0	30	-1.0	-47.23	283.23	5.39	-41.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1	REAL250004657741	1	30	-1.0	-47.26	283.27	5.40	-41.86
COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004657742	0	34	-1.0	-47.09	295.92	4.20	-42.89
COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004657742	1	34	-1.0	-47.11	295.96	4.20	-42.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1F	REAL250004657743	0	30	-1.0	-50.85	271.07	4.97	-45.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1F	REAL250004657743	1	30	-1.0	-50.86	271.12	4.97	-45.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004657744	0	30	-1.0	-46.44	266.50	4.89	-41.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004657744	1	30	-1.0	-46.48	266.54	4.89	-41.59
O=C(CCC1=CC=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657745	0	36	-1.0	-45.95	312.51	6.38	-39.57
O=C(CCC1=CC=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657745	1	36	-1.0	-45.95	312.56	6.37	-39.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL250004657746	0	36	-1.0	-45.18	292.06	5.13	-40.05
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL250004657746	1	36	-1.0	-45.16	291.85	5.15	-40.01
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004657747	0	33	-1.0	-46.28	287.92	5.57	-40.71
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004657747	1	33	-1.0	-46.29	287.96	5.57	-40.72
CC(=O)NC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657748	0	33	-1.0	-46.44	289.13	1.10	-45.34
CC(=O)NC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657748	1	33	-1.0	-46.41	289.18	1.10	-45.31
CC1=CC=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657749	0	36	-1.0	-47.57	307.91	6.06	-41.51
CC1=CC=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657749	1	36	-1.0	-47.57	307.95	6.05	-41.52
N#CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657750	0	31	-1.0	-51.08	287.34	5.28	-45.80
N#CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657750	1	31	-1.0	-51.04	287.38	5.29	-45.75
CC1=NOC(C)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657751	0	35	-1.0	-51.90	308.25	4.34	-47.56
CC1=NOC(C)=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657751	1	35	-1.0	-52.13	308.01	4.35	-47.78
CC1=NN(C)C(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657752	0	36	-1.0	-47.59	313.94	3.64	-43.95
CC1=NN(C)C(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657752	1	36	-1.0	-47.59	313.98	3.63	-43.96
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004657753	0	33	-1.0	-47.36	287.11	3.14	-44.22
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004657753	1	33	-1.0	-47.38	287.15	3.13	-44.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)O1	REAL250004657754	0	27	-1.0	-41.92	267.78	3.53	-38.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)O1	REAL250004657754	1	27	-1.0	-41.91	267.82	3.53	-38.38
CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657755	0	33	-1.0	-43.78	288.51	5.66	-38.12
CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657755	1	33	-1.0	-43.80	288.55	5.65	-38.15
CCOC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657756	0	34	-1.0	-46.70	302.49	0.62	-46.08
CCOC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657756	1	34	-1.0	-46.68	302.53	0.61	-46.07
O=C(CCN1C=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657757	0	33	-1.0	-46.73	293.57	3.55	-43.18
O=C(CCN1C=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657757	1	33	-1.0	-46.72	293.53	3.55	-43.17
O=C(CCC1=CC=CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657758	0	33	-1.0	-46.77	293.27	4.49	-42.28
O=C(CCC1=CC=CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657758	1	33	-1.0	-46.77	293.32	4.48	-42.29
NC1=NC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657759	0	30	-1.0	-44.92	268.89	0.44	-44.48
NC1=NC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657759	1	30	-1.0	-44.88	268.85	0.44	-44.44
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657760	0	33	-1.0	-44.11	294.11	4.51	-39.60
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657760	1	33	-1.0	-44.04	294.16	4.51	-39.53
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC1=O	REAL250004657761	0	32	-1.0	-45.08	289.72	2.01	-43.07
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC1=O	REAL250004657761	1	32	-1.0	-45.12	289.76	2.00	-43.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CS1	REAL250004657762	0	26	-1.0	-45.80	253.69	2.05	-43.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CS1	REAL250004657762	1	26	-1.0	-45.79	253.37	2.07	-43.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CNC1=S	REAL250004657763	0	30	-1.0	-76.10	278.74	3.97	-72.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CNC1=S	REAL250004657763	1	30	-1.0	-76.11	278.78	3.96	-72.15
O=C(CNC(=O)C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657764	0	34	-1.0	-46.19	300.60	1.86	-44.33
O=C(CNC(=O)C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657764	1	34	-1.0	-46.21	300.64	1.86	-44.35
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657765	0	32	-1.0	-45.90	283.11	3.73	-42.17
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657765	1	32	-1.0	-45.87	283.16	3.73	-42.14
O=C(CCN1C=NC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657766	0	32	-1.0	-48.11	288.32	4.98	-43.13
O=C(CCN1C=NC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657766	1	32	-1.0	-48.06	288.27	4.98	-43.08
O=C(CC1=CC=C(O)C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657767	0	34	-1.0	-50.43	302.16	2.72	-47.71
O=C(CC1=CC=C(O)C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657767	1	34	-1.0	-50.41	302.20	2.71	-47.70
CC(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657768	0	35	-1.0	-45.92	291.40	4.65	-41.27
CC(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657768	1	35	-1.0	-45.94	291.44	4.65	-41.29
CCC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657769	0	35	-1.0	-45.10	284.05	4.82	-40.28
CCC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657769	1	35	-1.0	-45.11	284.08	4.81	-40.30
CC1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657770	0	34	-1.0	-46.26	305.54	5.12	-41.14
CC1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657770	1	34	-1.0	-46.20	305.59	5.11	-41.09
CCCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657771	0	35	-1.0	-45.65	290.53	4.66	-40.99
CCCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657771	1	35	-1.0	-45.65	290.58	4.65	-41.00
CC1=NNC(C)=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657772	0	36	-1.0	-51.62	311.66	3.10	-48.52
CC1=NNC(C)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657772	1	36	-1.0	-51.65	311.62	3.11	-48.54
CC1=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL250004657773	0	36	-1.0	-45.83	314.40	5.05	-40.78
CC1=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004657773	1	36	-1.0	-45.82	314.44	5.04	-40.78
CSCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657774	0	30	-1.0	-44.92	275.57	3.84	-41.08
CSCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657774	1	30	-1.0	-44.92	275.61	3.83	-41.09
CC(C)(C)SCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657775	0	36	-1.0	-47.78	310.52	5.01	-42.77
CC(C)(C)SCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657775	1	36	-1.0	-47.75	310.57	5.00	-42.75
COC1=NC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657776	0	33	-1.0	-51.40	291.58	2.78	-48.62
COC1=NC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657776	1	33	-1.0	-51.41	291.54	2.79	-48.62
CCCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657777	0	36	-1.0	-48.00	318.36	5.50	-42.50
CCCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657777	1	36	-1.0	-48.02	318.40	5.49	-42.53
CCCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657778	0	41	-1.0	-45.95	338.62	6.48	-39.47
CCCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657778	1	41	-1.0	-45.95	338.66	6.47	-39.48
CCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657779	0	35	-1.0	-46.03	295.62	4.92	-41.11
CCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657779	1	35	-1.0	-46.05	295.66	4.91	-41.14
CCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657780	0	38	-1.0	-46.01	317.12	5.70	-40.31
CCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657780	1	38	-1.0	-46.01	317.16	5.69	-40.32
CC(C)SCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657781	0	33	-1.0	-47.98	293.92	4.54	-43.44
CC(C)SCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657781	1	33	-1.0	-47.99	293.97	4.53	-43.46
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004657782	0	32	-1.0	-45.41	285.33	3.79	-41.62
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004657782	1	32	-1.0	-45.38	285.37	3.78	-41.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2CC2)=C1	REAL250004657783	0	34	-1.0	-45.35	303.20	3.49	-41.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2CC2)=C1	REAL250004657783	1	34	-1.0	-45.38	303.24	3.48	-41.90
CN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004657784	0	33	-1.0	-57.35	291.69	3.70	-53.65
CN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004657784	1	33	-1.0	-57.32	291.73	3.70	-53.62
CCC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657785	0	33	-1.0	-46.28	290.09	1.09	-45.19
CCC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657785	1	33	-1.0	-46.27	290.14	1.09	-45.18
CCC(=O)NC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657786	0	36	-1.0	-46.16	309.42	1.92	-44.24
CCC(=O)NC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657786	1	36	-1.0	-46.15	309.47	1.92	-44.23
CS(=O)(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657787	0	32	-1.0	-52.31	294.47	0.16	-52.15
CS(=O)(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657787	1	32	-1.0	-52.33	294.51	0.15	-52.18
CC(C)OCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657788	0	36	-1.0	-45.16	306.64	3.38	-41.78
CC(C)OCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657788	1	36	-1.0	-45.20	306.68	3.38	-41.82
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004657789	0	33	-1.0	-46.00	292.74	2.66	-43.34
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004657789	1	33	-1.0	-46.02	292.79	2.65	-43.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COCCO1	REAL250004657790	0	32	-1.0	-48.34	275.72	1.91	-46.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COCCO1	REAL250004657790	1	32	-1.0	-48.18	275.55	1.88	-46.30
O=C(CCC1CCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657791	0	37	-1.0	-46.04	309.03	3.69	-42.35
O=C(CCC1CCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657791	1	37	-1.0	-46.12	308.79	3.69	-42.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=C1	REAL250004657792	0	27	-1.0	-47.36	249.31	1.36	-46.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=C1	REAL250004657792	1	27	-1.0	-47.32	249.35	1.35	-45.97
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004657793	0	33	-1.0	-48.24	293.94	1.61	-46.63
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004657793	1	33	-1.0	-48.24	293.90	1.62	-46.62
COC(=O)N(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657794	0	34	-1.0	-53.58	301.37	2.58	-51.00
COC(=O)N(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657794	1	34	-1.0	-53.58	301.41	2.57	-51.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=[N+]1[O-]	REAL250004657795	0	30	-1.0	-73.65	270.64	4.97	-68.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=[N+]1[O-]	REAL250004657795	1	30	-1.0	-73.63	270.68	4.96	-68.67
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=N1	REAL250004657796	0	29	-1.0	-45.20	270.38	2.69	-42.51
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=N1	REAL250004657796	1	29	-1.0	-45.18	270.41	2.69	-42.49
CCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657797	0	36	-1.0	-48.99	308.15	3.39	-45.60
CCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657797	1	36	-1.0	-48.98	308.19	3.39	-45.59
O=C(COCC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657798	0	34	-1.0	-49.63	297.37	4.42	-45.21
O=C(COCC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657798	1	34	-1.0	-49.64	297.41	4.41	-45.23
O=C(CC1CCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657799	0	34	-1.0	-49.93	287.20	3.56	-46.37
O=C(CC1CCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657799	1	34	-1.0	-50.02	286.97	3.54	-46.48
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)S(C)(=O)=O	REAL250004657800	0	32	-1.0	-62.43	289.76	0.36	-62.07
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)S(C)(=O)=O	REAL250004657800	1	32	-1.0	-62.38	289.81	0.35	-62.03
CSC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657801	0	30	-1.0	-48.03	272.62	3.59	-44.44
CSC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657801	1	30	-1.0	-48.02	272.67	3.58	-44.44
CCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657802	0	33	-1.0	-48.68	284.46	3.56	-45.12
CCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657802	1	33	-1.0	-48.70	284.51	3.57	-45.13
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004657803	0	32	-1.0	-60.33	290.63	-0.55	-60.88
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004657803	1	32	-1.0	-60.32	290.67	-0.55	-60.87
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004657804	0	36	-1.0	-47.20	309.44	3.87	-43.33
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004657804	1	36	-1.0	-47.22	309.48	3.86	-43.36
O=C(CCC1=CC=NC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657805	0	35	-1.0	-47.36	307.41	4.61	-42.75
O=C(CCC1=CC=NC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657805	1	35	-1.0	-47.38	307.45	4.60	-42.78
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC1=O	REAL250004657806	0	33	-1.0	-48.84	290.95	3.72	-45.12
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC1=O	REAL250004657806	1	33	-1.0	-48.84	291.00	3.70	-45.14
CC(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004657807	0	36	-1.0	-45.35	311.79	3.29	-42.06
CC(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004657807	1	36	-1.0	-45.36	311.83	3.28	-42.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC2=C1CCC2	REAL250004657808	0	34	-1.0	-47.27	294.59	3.23	-44.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC2=C1CCC2	REAL250004657808	1	34	-1.0	-47.23	294.63	3.22	-44.01
CC(C)(C#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657809	0	30	-1.0	-52.29	268.69	3.39	-48.90
CC(C)(C#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657809	1	30	-1.0	-52.22	268.74	3.38	-48.84
COCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657810	0	33	-1.0	-48.99	286.30	2.43	-46.56
COCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657810	1	33	-1.0	-48.99	286.34	2.42	-46.57
CC(F)(F)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657811	0	32	-1.0	-44.58	284.95	4.27	-40.31
CC(F)(F)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657811	1	32	-1.0	-44.60	284.99	4.27	-40.33
O=C(COC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657812	0	37	-1.0	-49.25	310.65	4.89	-44.36
O=C(COC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657812	1	37	-1.0	-49.27	310.69	4.88	-44.39
CC1=NC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657813	0	31	-1.0	-44.77	273.03	3.59	-41.18
CC1=NC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657813	1	31	-1.0	-44.83	273.07	3.58	-41.25
C=CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657814	0	31	-1.0	-48.38	288.17	4.48	-43.90
C=CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657814	1	31	-1.0	-48.36	288.22	4.47	-43.89
CC1=NC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004657815	0	31	-1.0	-43.54	280.58	2.94	-40.60
CC1=NC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004657815	1	31	-1.0	-43.52	280.63	2.94	-40.58
CCSCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657816	0	33	-1.0	-44.82	297.03	4.72	-40.10
CCSCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657816	1	33	-1.0	-44.81	297.08	4.72	-40.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NSN=C1	REAL250004657817	0	25	-1.0	-42.45	247.51	0.85	-41.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NSN=C1	REAL250004657817	1	25	-1.0	-42.41	247.47	0.87	-41.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=NS1	REAL250004657818	0	25	-1.0	-44.38	248.83	1.49	-42.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=NS1	REAL250004657818	1	25	-1.0	-44.36	248.79	1.50	-42.86
CC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657819	0	35	-1.0	-50.68	307.56	4.40	-46.28
CC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657819	1	35	-1.0	-50.72	307.33	4.40	-46.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNN=C1	REAL250004657820	0	26	-1.0	-43.50	243.79	-0.07	-43.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNN=C1	REAL250004657820	1	26	-1.0	-43.52	243.75	-0.06	-43.58
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)N1	REAL250004657821	0	33	-1.0	-52.12	289.91	2.71	-49.41
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)N1	REAL250004657821	1	33	-1.0	-52.11	289.96	2.71	-49.40
CCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657822	0	33	-1.0	-48.04	296.86	4.72	-43.32
CCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657822	1	33	-1.0	-48.06	296.91	4.71	-43.35
CCN(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657823	1	37	-1.0	-46.66	302.67	2.69	-43.97
CCN(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657823	1	37	-1.0	-46.67	302.72	2.69	-43.98
COC(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657824	0	31	-1.0	-46.94	280.62	-0.31	-47.25
COC(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657824	1	31	-1.0	-46.93	280.67	-0.32	-47.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC=C1	REAL250004657825	0	26	-1.0	-45.14	244.97	2.15	-42.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC=C1	REAL250004657825	1	26	-1.0	-45.16	244.93	2.16	-43.00
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004657826	0	30	-1.0	-46.40	271.24	1.91	-44.49
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004657826	1	30	-1.0	-46.39	271.28	1.92	-44.47
CC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657827	0	33	-1.0	-45.36	288.66	3.23	-42.13
CC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657827	1	33	-1.0	-45.36	288.70	3.22	-42.14
CN1C=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657828	0	36	-1.0	-49.26	315.39	4.15	-45.11
CN1C=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657828	1	36	-1.0	-49.28	315.35	4.16	-45.12
CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004657829	0	33	-1.0	-54.24	293.24	3.67	-50.57
CC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004657829	1	33	-1.0	-54.21	293.19	3.68	-50.53
CC1=CN(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004657830	0	36	-1.0	-46.47	315.44	4.22	-42.25
CC1=CN(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004657830	1	36	-1.0	-46.47	315.40	4.23	-42.24
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004657831	0	37	-1.0	-44.93	307.53	4.95	-39.98
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL250004657831	1	37	-1.0	-44.88	307.58	4.96	-39.92
CC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004657832	0	29	-1.0	-45.41	275.33	2.78	-42.63
CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004657832	1	29	-1.0	-45.40	275.36	2.78	-42.62
O=C(CC1=CC=CC(O)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657833	0	34	-1.0	-50.59	302.16	2.72	-47.87
O=C(CC1=CC=CC(O)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657833	1	34	-1.0	-50.61	302.20	2.71	-47.90
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL250004657834	0	33	-1.0	-44.44	296.04	5.31	-39.13
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL250004657834	1	33	-1.0	-44.40	296.09	5.30	-39.10
CC(OCC1CC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657835	0	37	-1.0	-49.00	316.13	5.14	-43.86
CC(OCC1CC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657835	1	37	-1.0	-49.01	315.91	5.13	-43.88
CC(C)OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657836	0	33	-1.0	-49.17	285.97	3.57	-45.60
CC(C)OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657836	1	33	-1.0	-49.18	286.02	3.56	-45.62
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004657837	0	36	-1.0	-45.36	299.01	5.40	-39.96
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004657837	1	36	-1.0	-45.32	299.05	5.39	-39.93
CC1CCCCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657838	0	42	-1.0	-45.92	321.10	6.11	-39.81
CC1CCCCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657838	1	42	-1.0	-45.91	321.14	6.11	-39.80
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004657839	0	29	-1.0	-44.78	263.25	0.32	-44.46
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004657839	1	29	-1.0	-44.82	263.21	0.33	-44.49
O=C(CC(C1CC1)C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657840	0	40	-1.0	-45.43	330.51	6.90	-38.53
O=C(CC(C1CC1)C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657840	1	40	-1.0	-45.49	330.55	6.89	-38.60
C=CCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657841	0	34	-1.0	-49.02	299.72	4.20	-44.82
C=CCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657841	1	34	-1.0	-49.05	299.76	4.19	-44.86
CC(C)N(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657842	1	37	-1.0	-46.26	297.00	2.11	-44.15
CC(C)N(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657842	1	37	-1.0	-46.27	297.04	2.11	-44.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(F)=C1	REAL250004657843	0	29	-1.0	-48.18	268.15	3.07	-45.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(F)=C1	REAL250004657843	1	29	-1.0	-48.13	268.11	3.07	-45.06
CC(C)COC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657844	0	39	-1.0	-48.50	326.06	5.04	-43.46
CC(C)COC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657844	1	39	-1.0	-48.50	326.11	5.05	-43.45
CN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657845	0	30	-1.0	-45.45	266.74	2.64	-42.81
CN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657845	1	30	-1.0	-45.38	266.70	2.63	-42.75
O=C(CCCN1C=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657846	0	36	-1.0	-54.97	315.06	4.34	-50.63
O=C(CCCN1C=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657846	1	36	-1.0	-54.96	315.01	4.35	-50.61
COCCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657847	0	37	-1.0	-46.79	319.99	1.90	-44.89
COCCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657847	1	37	-1.0	-46.80	320.03	1.89	-44.91
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CN=C1	REAL250004657848	0	33	-1.0	-52.31	289.49	4.73	-47.58
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CN=C1	REAL250004657848	1	33	-1.0	-52.32	289.54	4.72	-47.60
CCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657849	0	33	-1.0	-49.08	286.91	3.63	-45.45
CCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657849	1	33	-1.0	-49.11	286.95	3.63	-45.48
CCCCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657850	0	39	-1.0	-48.56	327.45	5.14	-43.42
CCCCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657850	1	39	-1.0	-48.56	327.50	5.14	-43.42
COCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657851	0	36	-1.0	-46.72	307.80	3.21	-43.51
COCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657851	1	36	-1.0	-46.70	307.84	3.20	-43.50
C=CCCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657852	0	37	-1.0	-48.68	318.76	4.92	-43.76
C=CCCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657852	1	37	-1.0	-48.72	318.82	4.92	-43.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004657853	0	31	-1.0	-48.35	264.83	1.93	-46.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004657853	1	31	-1.0	-48.33	264.87	1.92	-46.41
CN1C=C(C(=O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657854	0	32	-1.0	-45.88	292.04	2.52	-43.36
CN1C=C(C(=O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657854	1	32	-1.0	-45.86	292.08	2.51	-43.35
CCC(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657855	0	33	-1.0	-47.43	284.97	3.44	-43.99
CCC(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657855	1	33	-1.0	-47.42	285.01	3.43	-43.99
O=C(CCC1=CC=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657856	0	35	-1.0	-46.91	306.72	4.61	-42.30
O=C(CCC1=CC=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657856	1	35	-1.0	-46.88	306.76	4.60	-42.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=N1	REAL250004657857	0	27	-1.0	-48.15	249.43	2.43	-45.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=N1	REAL250004657857	1	27	-1.0	-48.13	249.47	2.42	-45.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC1	REAL250004657858	0	30	-1.0	-43.90	278.30	4.31	-39.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC1	REAL250004657858	1	30	-1.0	-43.83	278.32	4.30	-39.53
CN1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657859	0	33	-1.0	-52.23	294.00	3.36	-48.87
CN1C=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657859	1	33	-1.0	-52.18	293.95	3.37	-48.81
CCN1N=C(C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657860	0	36	-1.0	-45.00	310.45	4.08	-40.92
CCN1N=C(C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657860	1	36	-1.0	-44.99	310.48	4.07	-40.92
CCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657861	0	35	-1.0	-45.46	283.53	4.32	-41.14
CCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657861	1	35	-1.0	-45.47	283.57	4.31	-41.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL250004657862	0	39	-1.0	-44.81	303.64	5.57	-39.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL250004657862	1	39	-1.0	-44.86	303.69	5.56	-39.30
COC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657863	0	33	-1.0	-47.24	283.94	3.13	-44.11
COC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657863	1	33	-1.0	-47.27	283.98	3.11	-44.16
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL250004657864	0	37	-1.0	-46.22	296.22	3.15	-43.07
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL250004657864	1	37	-1.0	-46.22	296.26	3.14	-43.08
CC1CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004657865	0	42	-1.0	-45.94	331.81	6.45	-39.49
CC1CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004657865	1	42	-1.0	-45.95	331.85	6.44	-39.51
CCCC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657866	0	38	-1.0	-45.73	308.79	5.38	-40.35
CCCC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657866	1	38	-1.0	-45.76	308.83	5.37	-40.39
CC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657867	0	36	-1.0	-47.80	312.54	6.24	-41.56
CC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657867	1	36	-1.0	-47.81	312.58	6.23	-41.58
O=C(CC1=CC=CC=C1O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657868	0	34	-1.0	-50.77	300.98	2.78	-47.99
O=C(CC1=CC=CC=C1O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657868	1	34	-1.0	-50.78	301.02	2.77	-48.01
CCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657869	0	33	-1.0	-45.21	286.36	2.64	-42.57
CCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657869	1	33	-1.0	-45.22	286.40	2.63	-42.59
CC(C)CC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657870	0	41	-1.0	-45.70	326.23	5.87	-39.83
CC(C)CC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657870	1	41	-1.0	-45.70	325.98	5.88	-39.82
CC1=CC=C(F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657871	0	33	-1.0	-49.87	292.47	5.65	-44.22
CC1=CC=C(F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657871	1	33	-1.0	-49.84	292.51	5.65	-44.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCOC1	REAL250004657872	0	34	-1.0	-44.98	283.32	2.77	-42.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCOC1	REAL250004657872	1	34	-1.0	-44.95	283.36	2.76	-42.19
CNC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657873	0	34	-1.0	-48.33	295.33	1.87	-46.46
CNC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657873	1	34	-1.0	-48.34	295.38	1.86	-46.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=N1	REAL250004657874	0	26	-1.0	-45.51	253.78	1.89	-43.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=N1	REAL250004657874	1	26	-1.0	-45.51	253.74	1.90	-43.61
CN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004657875	0	30	-1.0	-48.00	272.16	2.69	-45.31
CN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004657875	1	30	-1.0	-48.02	272.12	2.70	-45.32
NC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657876	0	31	-1.0	-48.49	275.46	0.27	-48.22
NC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657876	1	31	-1.0	-48.51	275.49	0.26	-48.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC=N1	REAL250004657877	0	26	-1.0	-45.66	245.57	-0.51	-46.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC=N1	REAL250004657877	1	26	-1.0	-45.62	245.52	-0.51	-46.13
C#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004657878	0	31	-1.0	-44.72	290.95	4.37	-40.35
C#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004657878	1	31	-1.0	-44.71	290.99	4.37	-40.34
COC(=O)NCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657879	0	34	-1.0	-54.18	302.47	0.31	-53.87
COC(=O)NCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657879	1	34	-1.0	-54.19	302.51	0.31	-53.88
CC(C)C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004657881	0	36	-1.0	-46.45	311.89	3.48	-42.97
CC(C)C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004657881	1	36	-1.0	-46.43	311.94	3.47	-42.96
CN1C=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL250004657882	0	33	-1.0	-54.56	289.35	3.97	-50.59
CN1C=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL250004657882	1	33	-1.0	-54.57	289.39	3.96	-50.61
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004657883	0	30	-1.0	-47.34	271.40	2.28	-45.06
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004657883	1	30	-1.0	-47.30	271.44	2.27	-45.03
C#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657884	0	31	-1.0	-47.34	288.85	4.19	-43.15
C#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657884	1	31	-1.0	-47.37	288.89	4.19	-43.18
O=C(CC1=CCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657885	0	37	-1.0	-46.32	307.02	5.80	-40.52
O=C(CC1=CCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657885	1	37	-1.0	-46.33	307.06	5.79	-40.54
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004657886	0	41	-1.0	-45.45	318.72	5.55	-39.90
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004657886	1	41	-1.0	-45.48	318.77	5.54	-39.94
COCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657887	0	33	-1.0	-44.58	283.74	2.37	-42.21
COCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657887	1	33	-1.0	-44.58	283.79	2.37	-42.21
CC(C)(C)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657888	0	41	-1.0	-45.93	329.36	5.83	-40.10
CC(C)(C)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657888	1	41	-1.0	-45.96	329.40	5.82	-40.14
C=CCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657889	0	31	-1.0	-49.62	278.32	3.41	-46.21
C=CCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657889	1	31	-1.0	-49.68	278.35	3.40	-46.28
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL250004657890	0	33	-1.0	-45.37	293.20	5.58	-39.79
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL250004657890	1	33	-1.0	-45.34	293.24	5.58	-39.76
CC1=NN(C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657891	0	33	-1.0	-50.63	289.36	3.27	-47.36
CC1=NN(C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657891	1	33	-1.0	-50.62	289.39	3.26	-47.36
CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657892	0	33	-1.0	-47.49	293.10	3.51	-43.98
CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657892	1	33	-1.0	-47.48	293.06	3.52	-43.96
COC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004657893	0	32	-1.0	-47.45	288.57	-0.41	-47.86
COC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004657893	1	32	-1.0	-47.43	288.52	-0.40	-47.83
CCCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657894	0	36	-1.0	-49.11	308.41	4.41	-44.70
CCCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657894	1	36	-1.0	-49.08	308.45	4.41	-44.67
CN1CCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657895	0	38	-1.0	-45.62	305.68	2.70	-42.92
CN1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657895	1	38	-1.0	-45.73	305.44	2.69	-43.04
O=C(CC1CCOCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657896	0	37	-1.0	-46.55	302.04	3.45	-43.10
O=C(CC1CCOCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657896	1	37	-1.0	-46.59	301.79	3.46	-43.13
CC1=NC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657897	0	32	-1.0	-46.98	277.37	3.79	-43.19
CC1=NC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657897	1	32	-1.0	-46.98	277.41	3.79	-43.19
CSCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657898	0	33	-1.0	-44.24	293.51	4.40	-39.84
CSCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657898	1	33	-1.0	-44.22	293.55	4.39	-39.83
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL250004657899	0	35	-1.0	-44.16	299.51	2.61	-41.55
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL250004657899	1	35	-1.0	-44.18	299.55	2.60	-41.58
CC1=CC(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004657900	0	33	-1.0	-54.18	290.88	3.45	-50.73
CC1=CC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004657900	1	33	-1.0	-54.18	290.93	3.44	-50.74
CC1=CC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657901	0	32	-1.0	-45.24	277.62	3.83	-41.41
CC1=CC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657901	1	32	-1.0	-45.23	277.67	3.82	-41.41
CC1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004657902	0	39	-1.0	-45.32	313.39	5.76	-39.56
CC1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004657902	1	39	-1.0	-45.30	313.44	5.75	-39.55
O=C(CCC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657903	0	33	-1.0	-46.14	284.24	4.92	-41.22
O=C(CCC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657903	1	33	-1.0	-46.13	284.28	4.92	-41.21
CC(C)C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004657904	0	35	-1.0	-44.61	305.05	1.71	-42.90
CC(C)C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004657904	1	35	-1.0	-44.61	305.00	1.72	-42.89
CC(C)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657905	0	35	-1.0	-45.04	284.21	4.48	-40.56
CC(C)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657905	1	35	-1.0	-45.08	284.51	4.46	-40.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCSCC1	REAL250004657906	0	34	-1.0	-46.14	291.85	4.88	-41.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCSCC1	REAL250004657906	1	34	-1.0	-46.17	291.89	4.87	-41.30
CC(C)N1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004657907	0	36	-1.0	-46.92	312.20	4.05	-42.87
CC(C)N1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004657907	1	36	-1.0	-46.92	312.16	4.06	-42.86
CC1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657908	0	42	-1.0	-46.16	324.49	6.25	-39.91
CC1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657908	1	42	-1.0	-46.19	324.52	6.24	-39.95
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL250004657909	0	38	-1.0	-44.65	296.85	4.84	-39.81
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL250004657909	1	38	-1.0	-44.72	296.57	4.84	-39.88
CC(CC1CCCC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657910	0	42	-1.0	-45.57	332.44	6.47	-39.10
CC(CC1CCCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657910	1	42	-1.0	-45.60	332.48	6.47	-39.13
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004657911	0	30	-1.0	-45.21	284.61	3.56	-41.65
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004657911	1	30	-1.0	-45.16	284.57	3.57	-41.59
CC(C)C1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657912	0	35	-1.0	-42.25	307.68	4.20	-38.05
CC(C)C1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657912	1	35	-1.0	-42.28	307.72	4.19	-38.09
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657913	0	32	-1.0	-50.15	286.01	3.78	-46.37
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657913	1	32	-1.0	-50.16	285.97	3.79	-46.37
COC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657914	0	33	-1.0	-48.85	275.32	3.04	-45.81
COC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657914	1	33	-1.0	-48.89	275.37	3.04	-45.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC1O2	REAL250004657915	0	35	-1.0	-45.10	284.56	2.91	-42.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1O2	REAL250004657915	1	35	-1.0	-45.12	284.60	2.91	-42.21
CCC1=NC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657916	0	34	-1.0	-44.64	291.64	4.27	-40.37
CCC1=NC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657916	1	34	-1.0	-44.67	291.69	4.26	-40.41
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=NN1C	REAL250004657917	0	32	-1.0	-45.95	284.15	1.74	-44.21
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=NN1C	REAL250004657917	1	32	-1.0	-45.91	284.18	1.73	-44.18
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL250004657918	0	33	-1.0	-47.16	298.56	5.33	-41.83
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL250004657918	1	33	-1.0	-47.19	298.61	5.32	-41.87
CC(C)(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657919	0	38	-1.0	-45.81	307.86	5.04	-40.77
CC(C)(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657919	1	38	-1.0	-45.78	307.90	5.04	-40.74
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004657920	0	31	-1.0	-44.77	276.85	4.02	-40.75
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004657920	1	31	-1.0	-44.73	276.90	4.03	-40.70
O=C(CC1(O)CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657922	0	37	-1.0	-45.73	300.78	3.10	-42.63
O=C(CC1(O)CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657922	1	37	-1.0	-45.71	300.82	3.09	-42.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CC1	REAL250004657923	0	31	-1.0	-45.28	266.64	4.36	-40.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CC1	REAL250004657923	1	31	-1.0	-45.24	266.40	4.36	-40.88
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1	REAL250004657924	0	33	-1.0	-46.77	298.40	5.14	-41.63
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1	REAL250004657924	1	33	-1.0	-46.80	298.44	5.13	-41.67
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004657925	0	32	-1.0	-44.68	285.06	1.09	-43.59
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004657925	1	32	-1.0	-44.65	285.01	1.09	-43.56
CC1=CC(O)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657926	0	34	-1.0	-46.54	298.94	2.71	-43.83
CC1=CC(O)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657926	1	34	-1.0	-46.50	298.99	2.71	-43.79
CSCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657927	0	36	-1.0	-46.42	318.86	5.38	-41.04
CSCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657927	1	36	-1.0	-46.44	318.90	5.37	-41.07
O=C(CC1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657928	0	34	-1.0	-48.61	286.08	2.70	-45.91
O=C(CC1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657928	1	34	-1.0	-48.62	286.13	2.69	-45.93
CC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657929	0	39	-1.0	-46.12	306.37	5.60	-40.52
CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657929	1	39	-1.0	-45.98	306.17	5.61	-40.37
COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004657930	0	32	-1.0	-43.65	290.75	0.30	-43.35
COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004657930	1	32	-1.0	-43.62	290.71	0.30	-43.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC=C1F	REAL250004657931	0	29	-1.0	-49.26	266.37	3.22	-46.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=C1F	REAL250004657931	1	29	-1.0	-49.31	266.32	3.22	-46.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C21	REAL250004657932	0	34	-1.0	-46.21	296.39	6.11	-40.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C21	REAL250004657932	1	34	-1.0	-46.28	296.44	6.11	-40.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCCC1	REAL250004657933	0	42	-1.0	-44.54	313.27	6.02	-38.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCCC1	REAL250004657933	1	42	-1.0	-44.58	313.57	6.00	-38.58
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL250004657934	0	33	-1.0	-49.71	291.23	4.70	-45.01
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL250004657934	1	33	-1.0	-49.68	291.28	4.69	-44.99
CC1=CC(F)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657935	0	33	-1.0	-44.19	294.33	5.64	-38.55
CC1=CC(F)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657935	1	33	-1.0	-44.24	294.38	5.63	-38.61
O=C(CC1CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657936	0	33	-1.0	-46.30	279.01	4.65	-41.65
O=C(CC1CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657936	1	33	-1.0	-46.39	278.78	4.65	-41.74
CCC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657937	0	38	-1.0	-45.09	298.54	4.95	-40.14
CCC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657937	1	38	-1.0	-45.10	298.58	4.94	-40.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCS1	REAL250004657938	0	31	-1.0	-46.07	275.25	4.22	-41.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCS1	REAL250004657938	1	31	-1.0	-46.06	275.29	4.22	-41.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1O	REAL250004657939	0	31	-1.0	-46.31	281.79	3.41	-42.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1O	REAL250004657939	1	31	-1.0	-46.33	281.74	3.40	-42.93
CC1=CC=C(C(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657940	0	36	-1.0	-50.20	312.65	5.51	-44.69
CC1=CC=C(C(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657940	1	36	-1.0	-50.21	312.43	5.54	-44.67
O=C(CCCC1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657941	0	42	-1.0	-46.15	338.33	6.74	-39.41
O=C(CCCC1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657941	1	42	-1.0	-46.14	338.37	6.73	-39.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCCO1	REAL250004657942	0	32	-1.0	-43.86	275.50	3.30	-40.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCCO1	REAL250004657942	1	32	-1.0	-43.89	275.54	3.29	-40.60
CN1CCOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004657943	0	36	-1.0	-47.72	301.50	1.26	-46.46
CN1CCOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004657943	1	36	-1.0	-47.84	301.26	1.26	-46.58
CC1=NC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657944	0	32	-1.0	-44.29	285.17	0.98	-43.31
CC1=NC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657944	1	32	-1.0	-44.30	285.21	0.97	-43.33
CN(C)C(=O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657945	0	33	-1.0	-58.56	284.57	3.46	-55.10
CN(C)C(=O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657945	1	33	-1.0	-58.58	284.62	3.45	-55.13
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004657946	0	29	-1.0	-48.27	266.28	3.59	-44.68
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004657946	1	29	-1.0	-48.27	266.33	3.59	-44.68
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL250004657947	0	39	-1.0	-45.59	312.08	5.78	-39.81
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL250004657947	1	39	-1.0	-45.58	312.12	5.77	-39.81
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL250004657948	0	33	-1.0	-50.36	292.47	5.65	-44.71
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL250004657948	1	33	-1.0	-50.36	292.51	5.65	-44.71
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657949	0	33	-1.0	-45.51	284.19	4.58	-40.93
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657949	1	33	-1.0	-45.43	284.22	4.58	-40.85
CC1=CSC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657950	0	30	-1.0	-45.75	274.75	4.51	-41.24
CC1=CSC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657950	1	30	-1.0	-45.72	274.79	4.50	-41.22
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004657951	0	28	-1.0	-44.86	280.25	4.49	-40.37
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004657951	1	28	-1.0	-44.84	280.29	4.48	-40.36
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657952	0	33	-1.0	-44.36	290.23	4.43	-39.93
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657952	1	33	-1.0	-44.38	290.27	4.42	-39.96
O=C(CCC1CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657953	0	36	-1.0	-46.00	300.84	5.44	-40.56
O=C(CCC1CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657953	1	36	-1.0	-45.99	300.89	5.43	-40.56
O=C(CCN1C=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657954	0	34	-1.0	-45.66	298.33	5.44	-40.22
O=C(CCN1C=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657954	1	34	-1.0	-45.65	298.37	5.43	-40.22
CC(=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL250004657955	0	39	-1.0	-44.38	314.69	5.56	-38.82
CC(=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL250004657955	1	39	-1.0	-44.35	314.73	5.55	-38.80
C=CCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657956	0	37	-1.0	-49.20	321.05	3.97	-45.23
C=CCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657956	1	37	-1.0	-49.25	321.10	3.96	-45.29
CC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657957	0	32	-1.0	-45.71	283.00	3.76	-41.95
CC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657957	1	32	-1.0	-45.73	282.96	3.75	-41.98
O=C(CCC(F)(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657958	0	29	-1.0	-45.15	270.47	3.75	-41.40
O=C(CCC(F)(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657958	1	29	-1.0	-45.19	270.50	3.74	-41.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCCC21	REAL250004657959	0	34	-1.0	-45.52	279.58	5.34	-40.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCCC21	REAL250004657959	1	34	-1.0	-45.49	279.62	5.33	-40.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCOCC2	REAL250004657960	0	38	-1.0	-46.12	313.97	3.93	-42.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCOCC2	REAL250004657960	1	38	-1.0	-46.11	314.01	3.92	-42.19
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=N1	REAL250004657961	0	29	-1.0	-45.19	263.18	0.24	-44.95
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=N1	REAL250004657961	1	29	-1.0	-45.18	263.22	0.23	-44.95
CN1CCCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657962	0	38	-1.0	-45.67	305.69	2.69	-42.98
CN1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657962	1	38	-1.0	-45.64	305.73	2.68	-42.96
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004657963	0	33	-1.0	-45.36	280.88	4.74	-40.62
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004657963	1	33	-1.0	-45.39	280.92	4.73	-40.66
O=C(CC1CCCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657964	0	42	-1.0	-46.11	322.24	6.24	-39.87
O=C(CC1CCCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657964	1	42	-1.0	-46.13	322.28	6.24	-39.89
N#CC1=CNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657965	0	29	-1.0	-52.29	274.42	3.17	-49.12
N#CC1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657965	1	29	-1.0	-52.20	274.74	3.16	-49.04
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C)N=C1	REAL250004657966	0	36	-1.0	-52.47	312.18	3.92	-48.55
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C)N=C1	REAL250004657966	1	36	-1.0	-52.46	312.13	3.93	-48.53
O=C(CCC1=COC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657967	0	33	-1.0	-47.10	293.27	4.33	-42.77
O=C(CCC1=COC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657967	1	33	-1.0	-47.15	293.32	4.32	-42.83
CC(C)CC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657968	0	41	-1.0	-45.60	318.97	5.54	-40.06
CC(C)CC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657968	1	41	-1.0	-45.60	319.02	5.53	-40.07
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004657969	0	36	-1.0	-45.80	295.11	4.86	-40.94
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004657969	1	36	-1.0	-45.77	295.15	4.87	-40.90
CC1(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL250004657970	0	39	-1.0	-44.59	311.45	5.55	-39.04
CC1(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL250004657970	1	39	-1.0	-44.54	311.64	5.54	-39.00
O=C(CCC1=NN=CN1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657971	0	32	-1.0	-51.41	286.53	3.78	-47.63
O=C(CCC1=NN=CN1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657971	1	32	-1.0	-51.41	286.57	3.78	-47.63
O=C(CCC1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657972	0	37	-1.0	-48.10	306.57	3.36	-44.74
O=C(CCC1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657972	1	37	-1.0	-48.10	306.62	3.36	-44.74
N#CC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004657973	0	28	-1.0	-48.70	279.55	4.30	-44.40
N#CC1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004657973	1	28	-1.0	-48.71	279.59	4.29	-44.42
CCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004657974	0	36	-1.0	-45.71	314.22	3.44	-42.27
CCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004657974	1	36	-1.0	-45.68	314.27	3.44	-42.24
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004657975	0	33	-1.0	-45.45	275.34	4.41	-41.04
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004657975	1	33	-1.0	-45.47	275.39	4.41	-41.06
C=CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657976	0	33	-1.0	-46.55	286.93	4.70	-41.85
C=CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657976	1	33	-1.0	-46.55	286.98	4.69	-41.86
CC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004657977	0	36	-1.0	-47.02	315.20	5.32	-41.70
CC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004657977	1	36	-1.0	-47.03	315.24	5.31	-41.72
COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004657978	0	33	-1.0	-44.34	295.95	1.76	-42.58
COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004657978	1	33	-1.0	-44.38	295.91	1.75	-42.63
O=C(COC1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657979	0	35	-1.0	-52.93	301.15	2.29	-50.64
O=C(COC1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657979	1	35	-1.0	-53.00	301.20	2.28	-50.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCCC2	REAL250004657980	0	37	-1.0	-45.43	303.85	5.89	-39.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCCC2	REAL250004657980	1	37	-1.0	-45.43	303.88	5.88	-39.55
CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004657981	1	37	-1.0	-46.08	292.27	1.76	-44.32
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004657981	1	37	-1.0	-45.99	292.34	1.77	-44.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(F)(F)C1	REAL250004657982	0	30	-1.0	-45.89	271.09	4.04	-41.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL250004657982	1	30	-1.0	-45.92	271.14	4.04	-41.88
CCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657983	0	36	-1.0	-45.54	305.37	5.37	-40.17
CCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657983	1	36	-1.0	-45.56	305.39	5.36	-40.20
CCC(CC)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657984	0	41	-1.0	-45.98	315.68	5.26	-40.72
CCC(CC)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657984	1	41	-1.0	-45.96	315.73	5.25	-40.71
CC1CC(C#N)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004657985	0	34	-1.0	-43.28	297.36	4.67	-38.61
CC1CC(C#N)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004657985	1	34	-1.0	-43.27	297.40	4.66	-38.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC(C2CC2)=N1	REAL250004657986	0	34	-1.0	-46.56	301.54	3.80	-42.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC(C2CC2)=N1	REAL250004657986	1	34	-1.0	-46.57	301.58	3.80	-42.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)=C1CCCC1	REAL250004657987	0	34	-1.0	-41.61	291.59	5.29	-36.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)=C1CCCC1	REAL250004657987	1	34	-1.0	-41.69	291.90	5.27	-36.42
COCC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657988	0	36	-1.0	-48.44	302.29	3.05	-45.39
COCC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657988	1	36	-1.0	-48.41	302.04	3.07	-45.34
O=C(CC1CCCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657989	0	37	-1.0	-48.60	305.22	4.43	-44.17
O=C(CC1CCCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657989	1	37	-1.0	-48.52	304.98	4.43	-44.09
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004657990	0	34	-1.0	-43.02	285.04	2.81	-40.21
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004657990	1	34	-1.0	-43.05	285.08	2.80	-40.25
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004657991	0	34	-1.0	-44.65	283.98	2.61	-42.04
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004657991	1	34	-1.0	-44.17	284.07	2.64	-41.53
CC(C)N1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657992	0	36	-1.0	-44.64	304.74	4.54	-40.10
CC(C)N1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657992	1	36	-1.0	-44.71	304.62	4.55	-40.16
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657993	0	32	-1.0	-50.15	286.01	3.78	-46.37
O=C(CC1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657993	1	32	-1.0	-50.16	285.97	3.79	-46.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NC=C1	REAL250004657994	0	30	-1.0	-57.11	271.47	1.82	-55.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC=C1	REAL250004657994	1	30	-1.0	-57.10	271.51	1.81	-55.29
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004657995	0	42	-1.0	-45.08	326.05	6.02	-39.06
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004657995	1	42	-1.0	-45.03	326.09	6.02	-39.01
CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657996	0	36	-1.0	-45.30	300.20	6.27	-39.03
CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657996	1	36	-1.0	-45.32	300.23	6.27	-39.05
CCC1(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004657997	0	36	-1.0	-44.98	295.31	5.23	-39.75
CCC1(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657997	1	36	-1.0	-45.00	295.36	5.22	-39.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC2	REAL250004657998	0	34	-1.0	-45.56	288.94	5.30	-40.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC2	REAL250004657998	1	34	-1.0	-45.55	288.98	5.29	-40.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(F)=C1	REAL250004657999	0	29	-1.0	-45.33	267.97	3.18	-42.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(F)=C1	REAL250004657999	1	29	-1.0	-45.28	267.93	3.18	-42.10
CCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658000	0	39	-1.0	-45.74	315.20	5.67	-40.07
CCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658000	1	39	-1.0	-45.72	315.26	5.68	-40.04
CC1=CC(=O)NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658001	0	33	-1.0	-52.77	286.12	2.54	-50.23
CC1=CC(=O)NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658001	1	33	-1.0	-52.79	286.16	2.54	-50.25
CC1=CC=CC(F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658002	0	33	-1.0	-47.99	296.01	5.34	-42.65
CC1=CC=CC(F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658002	1	33	-1.0	-47.96	296.05	5.33	-42.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCNC(=O)C1	REAL250004658003	0	34	-1.0	-49.26	289.72	1.17	-48.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCNC(=O)C1	REAL250004658003	1	34	-1.0	-49.22	289.76	1.17	-48.05
CC1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658004	0	39	-1.0	-46.11	314.88	5.82	-40.29
CC1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658004	1	39	-1.0	-46.11	314.92	5.81	-40.30
CCC(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658005	0	38	-1.0	-45.84	301.92	5.14	-40.70
CCC(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658005	1	38	-1.0	-45.88	301.97	5.13	-40.75
CC(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658006	0	36	-1.0	-44.87	294.04	5.04	-39.83
CC(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658006	1	36	-1.0	-44.88	294.09	5.03	-39.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCSC1	REAL250004658007	0	31	-1.0	-45.24	273.54	4.19	-41.05
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCSC1	REAL250004658007	1	31	-1.0	-45.24	273.58	4.18	-41.06
O=C(CC1=CC=CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658008	0	30	-1.0	-49.96	271.60	3.72	-46.24
O=C(CC1=CC=CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658008	1	30	-1.0	-49.95	271.64	3.71	-46.24
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658009	0	33	-1.0	-45.23	277.57	4.47	-40.76
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658009	1	33	-1.0	-45.28	277.34	4.47	-40.81
CC1CCC(=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658010	0	37	-1.0	-45.24	306.41	5.83	-39.41
CC1CCC(=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658010	1	37	-1.0	-45.25	306.45	5.82	-39.43
CC(C)[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004658011	1	40	-1.0	-46.12	307.20	2.78	-43.34
CC1=C(C)OC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658012	0	33	-1.0	-44.72	292.25	4.34	-40.38
CC1=C(C)OC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658012	1	33	-1.0	-44.74	292.29	4.34	-40.40
C=CCC(CC=C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658013	0	37	-1.0	-45.64	312.09	5.56	-40.08
C=CCC(CC=C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658013	1	37	-1.0	-45.66	312.13	5.55	-40.11
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658014	0	34	-1.0	-46.72	293.52	3.93	-42.79
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658014	1	34	-1.0	-46.73	293.57	3.93	-42.80
CCC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658015	0	37	-1.0	-49.55	309.41	4.67	-44.88
CCC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658015	1	37	-1.0	-49.50	309.45	4.66	-44.84
CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL250004658016	0	33	-1.0	-51.10	291.37	5.60	-45.50
CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL250004658016	1	33	-1.0	-51.07	291.41	5.60	-45.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C1CC1)C1CC1	REAL250004658017	0	37	-1.0	-44.99	310.48	6.32	-38.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C1CC1)C1CC1	REAL250004658017	1	37	-1.0	-45.01	310.45	6.31	-38.70
CC1(C)C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658018	0	33	-1.0	-45.01	277.95	4.59	-40.42
CC1(C)C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658018	1	33	-1.0	-45.01	278.00	4.58	-40.43
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1=O	REAL250004658019	0	38	-1.0	-50.45	314.86	4.91	-45.54
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1=O	REAL250004658019	1	38	-1.0	-50.45	314.90	4.91	-45.54
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004658020	0	32	-1.0	-45.18	285.19	3.81	-41.37
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004658020	1	32	-1.0	-45.21	285.15	3.82	-41.39
CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658021	0	41	-1.0	-45.29	324.69	5.80	-39.49
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658021	1	41	-1.0	-45.34	324.68	5.79	-39.55
CC(C)N1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658022	0	37	-1.0	-46.85	307.69	6.01	-40.84
CC(C)N1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658022	1	37	-1.0	-46.88	307.72	5.99	-40.89
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658023	0	29	-1.0	-45.86	274.92	3.00	-42.86
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658023	1	29	-1.0	-45.89	274.97	2.99	-42.90
CN1C(=O)C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658024	0	33	-1.0	-51.70	285.56	3.58	-48.12
CN1C(=O)C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658024	1	33	-1.0	-51.70	285.61	3.58	-48.12
CCCC(CCC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658025	0	41	-1.0	-45.16	326.97	6.36	-38.80
CCCC(CCC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658025	1	41	-1.0	-45.19	327.01	6.36	-38.83
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004658026	0	42	-1.0	-45.19	318.91	6.09	-39.10
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL250004658026	1	42	-1.0	-45.21	318.95	6.08	-39.13
CC1=NN=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658027	0	31	-1.0	-47.95	272.98	2.73	-45.22
CC1=NN=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658027	1	31	-1.0	-47.93	273.02	2.72	-45.21
COCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658028	0	36	-1.0	-44.35	300.91	3.02	-41.33
COCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658028	1	36	-1.0	-44.33	300.95	3.01	-41.32
CSC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658029	0	33	-1.0	-47.70	291.68	4.39	-43.31
CSC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658029	1	33	-1.0	-47.70	291.72	4.38	-43.32
CN1CCOCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658030	0	36	-1.0	-45.62	297.76	0.27	-45.35
CN1CCOCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658030	1	36	-1.0	-45.59	297.80	0.26	-45.33
CCC1=CC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658031	0	35	-1.0	-44.96	297.50	4.57	-40.39
CCC1=CC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658031	1	35	-1.0	-44.98	297.46	4.56	-40.42
COCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658032	0	37	-1.0	-45.65	317.54	3.66	-41.99
COCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658032	1	37	-1.0	-45.68	317.56	3.65	-42.03
CCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658033	0	35	-1.0	-45.48	310.69	2.83	-42.65
CCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658033	1	35	-1.0	-45.48	310.65	2.84	-42.64
CC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658034	0	33	-1.0	-44.57	288.68	5.64	-38.93
CC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658034	1	33	-1.0	-44.55	288.73	5.64	-38.91
CCC(SC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658035	0	33	-1.0	-46.00	291.87	4.23	-41.77
CCC(SC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658035	1	33	-1.0	-46.04	291.91	4.23	-41.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=N1	REAL250004658036	0	26	-1.0	-50.38	244.11	2.06	-48.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=N1	REAL250004658036	1	26	-1.0	-50.39	244.16	2.05	-48.34
CC1(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658037	0	37	-1.0	-48.99	308.29	4.63	-44.36
CC1(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658037	1	37	-1.0	-49.05	308.06	4.62	-44.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCO1	REAL250004658038	0	34	-1.0	-48.63	284.70	3.89	-44.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCO1	REAL250004658038	1	34	-1.0	-48.53	284.52	3.89	-44.64
NC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658039	0	31	-1.0	-45.60	289.37	-0.24	-45.84
NC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658039	1	31	-1.0	-45.66	289.41	-0.25	-45.91
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=C1	REAL250004658040	0	34	-1.0	-49.10	294.21	5.32	-43.78
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=C1	REAL250004658040	1	34	-1.0	-49.08	294.25	5.32	-43.76
CCN(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658041	0	38	-1.0	-46.32	309.47	3.16	-43.16
CCN(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658041	1	38	-1.0	-46.32	309.51	3.14	-43.18
CCC(C)OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658042	0	36	-1.0	-49.03	306.74	4.37	-44.66
CCC(C)OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658042	1	36	-1.0	-49.04	306.78	4.36	-44.68
O=C(CCCN1C=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658043	0	37	-1.0	-51.32	319.82	6.25	-45.07
O=C(CCCN1C=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658043	1	37	-1.0	-51.36	319.87	6.25	-45.11
O=C(CC1COC(=O)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658044	0	33	-1.0	-51.19	288.16	3.73	-47.46
O=C(CC1COC(=O)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658044	1	33	-1.0	-51.21	288.21	3.73	-47.48
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=N1	REAL250004658045	0	31	-1.0	-43.32	280.45	3.60	-39.72
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=N1	REAL250004658045	1	31	-1.0	-43.29	280.49	3.60	-39.69
CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004658046	1	40	-1.0	-46.24	314.67	2.57	-43.67
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004658046	1	40	-1.0	-46.15	314.70	2.56	-43.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(C=CO2)N1	REAL250004658047	0	31	-1.0	-48.23	280.69	2.90	-45.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C=CO2)N1	REAL250004658047	1	31	-1.0	-48.24	280.73	2.91	-45.33
CN1C=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658048	0	30	-1.0	-48.19	272.17	4.12	-44.07
CN1C=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658048	1	30	-1.0	-48.20	272.12	4.13	-44.07
CC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=N1	REAL250004658049	0	33	-1.0	-44.92	288.59	2.00	-42.92
CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=N1	REAL250004658049	1	33	-1.0	-44.90	288.64	2.00	-42.90
CC1(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658050	0	33	-1.0	-44.97	278.24	4.58	-40.39
CC1(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658050	1	33	-1.0	-44.97	277.99	4.58	-40.39
COC(=O)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658052	0	35	-1.0	-54.74	308.08	4.17	-50.57
COC(=O)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658052	1	35	-1.0	-54.78	308.13	4.16	-50.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(CC1)C2	REAL250004658053	0	37	-1.0	-45.15	299.63	5.39	-39.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CC1)C2	REAL250004658053	1	37	-1.0	-45.18	299.40	5.39	-39.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=N1	REAL250004658054	0	29	-1.0	-42.90	270.17	3.25	-39.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=N1	REAL250004658054	1	29	-1.0	-42.93	270.13	3.25	-39.68
CC1=NSC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658055	0	29	-1.0	-45.75	268.84	3.15	-42.60
CC1=NSC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658055	1	29	-1.0	-45.71	268.88	3.15	-42.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCS1	REAL250004658056	0	34	-1.0	-45.82	294.14	4.88	-40.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCS1	REAL250004658056	1	34	-1.0	-45.80	294.18	4.88	-40.92
CC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658057	0	36	-1.0	-45.85	290.12	4.94	-40.91
CC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658057	1	36	-1.0	-45.87	290.16	4.93	-40.94
CC1OCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658058	0	34	-1.0	-48.02	281.59	2.64	-45.38
CC1OCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658058	1	34	-1.0	-48.01	281.63	2.63	-45.38
COCCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658059	0	37	-1.0	-51.70	320.59	2.70	-49.00
COCCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658059	1	37	-1.0	-51.69	320.62	2.70	-48.99
CC1=CNC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL250004658060	0	33	-1.0	-55.54	289.67	3.55	-51.99
CC1=CNC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL250004658060	1	33	-1.0	-55.55	289.71	3.54	-52.01
CC(C)(C)OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658061	0	36	-1.0	-48.80	300.01	3.96	-44.84
CC(C)(C)OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658061	1	36	-1.0	-48.80	300.04	3.95	-44.85
N#CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004658062	0	29	-1.0	-53.26	274.65	3.03	-50.23
N#CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004658062	1	29	-1.0	-53.30	274.69	3.02	-50.28
COCCCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658063	0	39	-1.0	-45.99	324.20	3.73	-42.26
COCCCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658063	1	39	-1.0	-45.98	324.25	3.72	-42.26
CCC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658064	0	35	-1.0	-45.36	306.70	4.60	-40.76
CCC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658064	1	35	-1.0	-45.33	306.74	4.59	-40.74
O=C(CCCC(F)(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658065	0	32	-1.0	-50.12	292.25	4.52	-45.60
O=C(CCCC(F)(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658065	1	32	-1.0	-50.13	292.30	4.51	-45.62
CSC(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658066	0	36	-1.0	-46.00	313.31	5.14	-40.86
CSC(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658066	1	36	-1.0	-45.97	313.35	5.14	-40.83
C#CCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658067	0	34	-1.0	-46.96	301.40	5.44	-41.52
C#CCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658067	1	34	-1.0	-46.95	301.44	5.43	-41.52
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658068	0	34	-1.0	-48.21	296.97	2.91	-45.30
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658068	1	34	-1.0	-48.21	297.00	2.91	-45.30
CC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=N1	REAL250004658069	0	34	-1.0	-44.92	294.88	3.55	-41.37
CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=N1	REAL250004658069	1	34	-1.0	-44.94	294.93	3.54	-41.40
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C	REAL250004658070	0	37	-1.0	-47.53	311.78	5.47	-42.06
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C	REAL250004658070	1	37	-1.0	-47.57	311.82	5.46	-42.11
CCC1=NN(C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658071	0	36	-1.0	-50.44	311.16	3.97	-46.47
CCC1=NN(C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658071	1	36	-1.0	-50.42	311.20	3.97	-46.45
CC(Cl)(Cl)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658072	0	26	-1.0	-40.41	261.50	3.72	-36.69
CC(Cl)(Cl)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658072	1	26	-1.0	-40.33	261.27	3.73	-36.60
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N=N1	REAL250004658073	0	34	-1.0	-47.53	294.32	3.33	-44.20
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N=N1	REAL250004658073	1	34	-1.0	-47.53	294.36	3.32	-44.21
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=NC=N1	REAL250004658074	0	32	-1.0	-53.05	284.54	4.77	-48.28
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=NC=N1	REAL250004658074	1	32	-1.0	-53.03	284.50	4.76	-48.27
CC1(C)CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658075	0	42	-1.0	-45.24	325.83	6.03	-39.21
CC1(C)CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658075	1	42	-1.0	-45.24	325.86	6.03	-39.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCCO1	REAL250004658076	0	31	-1.0	-49.32	267.12	3.08	-46.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCCO1	REAL250004658076	1	31	-1.0	-49.33	267.17	3.07	-46.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCCO1	REAL250004658077	0	31	-1.0	-49.45	267.14	3.07	-46.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCCO1	REAL250004658077	1	31	-1.0	-49.44	267.18	3.07	-46.37
COC(=O)N[C@@H](C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658078	0	34	-1.0	-46.36	300.44	0.59	-45.77
COC(=O)N[C@@H](C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658078	1	34	-1.0	-46.36	300.49	0.59	-45.77
C#CCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658079	0	32	-1.0	-46.58	292.15	3.18	-43.40
C#CCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658079	1	32	-1.0	-46.59	292.19	3.18	-43.41
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL250004658080	0	42	-1.0	-45.99	323.23	6.06	-39.93
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL250004658080	1	42	-1.0	-45.96	323.07	6.06	-39.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1SCCS1	REAL250004658081	0	29	-1.0	-45.39	274.42	4.27	-41.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1SCCS1	REAL250004658081	1	29	-1.0	-45.46	274.20	4.28	-41.18
CCC(CC)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658082	0	41	-1.0	-45.24	317.26	5.61	-39.63
CCC(CC)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658082	1	41	-1.0	-45.26	317.29	5.60	-39.66
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCO1	REAL250004658083	0	37	-1.0	-46.97	298.36	3.42	-43.55
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCO1	REAL250004658083	1	37	-1.0	-46.73	298.72	3.39	-43.34
CC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658084	0	36	-1.0	-45.38	295.74	5.12	-40.26
CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658084	1	36	-1.0	-45.34	295.79	5.11	-40.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=N1	REAL250004658085	0	29	-1.0	-44.76	270.19	3.12	-41.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=N1	REAL250004658085	1	29	-1.0	-44.75	270.14	3.12	-41.63
C=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004658086	0	34	-1.0	-46.27	297.54	5.99	-40.28
C=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004658086	1	34	-1.0	-46.30	297.58	5.98	-40.32
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004658087	0	42	-1.0	-46.15	320.40	5.97	-40.18
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL250004658087	1	42	-1.0	-46.18	320.49	5.97	-40.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CN=C1	REAL250004658088	0	28	-1.0	-45.77	256.49	2.92	-42.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CN=C1	REAL250004658088	1	28	-1.0	-45.76	256.45	2.92	-42.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCOC2	REAL250004658089	0	35	-1.0	-45.92	293.63	3.32	-42.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCOC2	REAL250004658089	1	35	-1.0	-45.92	293.67	3.31	-42.61
CCC(C)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658090	0	38	-1.0	-45.74	299.45	4.79	-40.95
CCC(C)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658090	1	38	-1.0	-45.70	299.79	4.77	-40.93
CC#CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658091	0	34	-1.0	-49.91	301.73	5.61	-44.30
CC#CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658091	1	34	-1.0	-49.93	301.77	5.61	-44.32
C#CCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658092	0	34	-1.0	-44.92	292.77	4.89	-40.03
C#CCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658092	1	34	-1.0	-44.93	292.81	4.89	-40.04
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004658093	0	34	-1.0	-44.89	284.02	2.39	-42.50
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004658093	1	34	-1.0	-44.90	284.06	2.38	-42.52
COCCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658094	0	39	-1.0	-48.18	317.21	3.39	-44.79
COCCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658094	1	39	-1.0	-48.18	317.24	3.38	-44.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C=CCCC1	REAL250004658095	0	34	-1.0	-44.78	283.80	5.05	-39.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C=CCCC1	REAL250004658095	1	34	-1.0	-44.78	283.59	5.06	-39.72
COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658096	0	34	-1.0	-42.74	283.50	3.05	-39.69
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658096	1	34	-1.0	-42.74	283.57	3.05	-39.69
CCC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658097	0	32	-1.0	-44.14	288.98	1.01	-43.13
CCC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658097	1	32	-1.0	-44.16	289.02	1.00	-43.16
COC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658098	0	30	-1.0	-42.65	278.21	0.31	-42.34
COC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658098	1	30	-1.0	-42.69	278.17	0.32	-42.37
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658099	0	31	-1.0	-55.27	287.75	-0.28	-55.55
NC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658099	1	31	-1.0	-55.28	287.79	-0.29	-55.57
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL250004658100	0	42	-1.0	-46.15	315.70	6.02	-40.13
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL250004658100	1	42	-1.0	-46.17	315.74	6.01	-40.16
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C	REAL250004658101	0	36	-1.0	-47.43	313.50	3.92	-43.51
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C	REAL250004658101	1	36	-1.0	-47.44	313.54	3.91	-43.53
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCOC1	REAL250004658102	0	37	-1.0	-47.25	297.43	3.29	-43.96
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCOC1	REAL250004658102	1	37	-1.0	-47.26	297.47	3.27	-43.99
C#CCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658103	0	37	-1.0	-48.53	322.90	6.22	-42.31
C#CCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658103	1	37	-1.0	-48.51	322.94	6.21	-42.30
CC1CC(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658104	0	42	-1.0	-44.95	326.73	6.09	-38.86
CC1CC(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658104	1	42	-1.0	-44.94	326.76	6.09	-38.85
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658105	0	39	-1.0	-45.54	314.64	5.62	-39.92
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658105	1	39	-1.0	-45.53	314.68	5.61	-39.92
CCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658106	0	36	-1.0	-47.08	314.60	4.27	-42.81
CCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658106	1	36	-1.0	-47.06	314.56	4.28	-42.78
COC(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658107	0	36	-1.0	-46.49	305.55	3.21	-43.28
COC(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658107	1	36	-1.0	-46.49	305.59	3.20	-43.29
C[C@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004658108	0	36	-1.0	-47.08	307.31	6.12	-40.96
C[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004658108	1	36	-1.0	-47.09	307.36	6.11	-40.98
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004658109	0	36	-1.0	-47.02	307.32	6.12	-40.90
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004658109	1	36	-1.0	-47.07	307.36	6.11	-40.96
CCC(C)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658110	0	38	-1.0	-45.22	303.10	5.10	-40.12
CCC(C)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658110	1	38	-1.0	-45.24	303.15	5.10	-40.14
CC(C)OCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658111	0	39	-1.0	-48.89	328.43	4.14	-44.75
CC(C)OCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658111	1	39	-1.0	-48.92	328.47	4.13	-44.79
CN1C(=O)CC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658112	0	34	-1.0	-55.17	295.20	2.95	-52.22
CN1C(=O)CC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658112	1	34	-1.0	-55.20	295.24	2.94	-52.26
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658113	0	37	-1.0	-46.77	309.36	5.54	-41.23
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658113	1	37	-1.0	-46.73	309.42	5.54	-41.19
COC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658114	0	37	-1.0	-49.10	305.45	4.36	-44.74
COC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658114	1	37	-1.0	-49.12	305.49	4.35	-44.77
CC1OCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658115	0	37	-1.0	-48.62	296.75	4.16	-44.46
CC1OCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658115	1	37	-1.0	-48.65	296.80	4.15	-44.50
C#CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658116	0	31	-1.0	-49.14	279.90	4.66	-44.48
C#CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658116	1	31	-1.0	-49.14	279.95	4.65	-44.49
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658117	0	33	-1.0	-46.00	282.37	4.61	-41.39
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658117	1	33	-1.0	-46.00	282.41	4.60	-41.40
O=C(CCC1=CC=NC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658118	0	34	-1.0	-47.23	301.70	4.40	-42.83
O=C(CCC1=CC=NC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658118	1	34	-1.0	-47.21	301.75	4.39	-42.82
CCC(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658119	0	35	-1.0	-45.81	287.29	4.63	-41.18
CCC(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658119	1	35	-1.0	-45.82	287.33	4.62	-41.20
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL250004658120	0	39	-1.0	-45.73	304.70	5.51	-40.22
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL250004658120	1	39	-1.0	-45.74	304.75	5.50	-40.24
O=C(CC1OCCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658121	0	35	-1.0	-47.62	296.44	2.91	-44.71
O=C(CC1OCCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658121	1	35	-1.0	-47.68	296.48	2.90	-44.78
CCN1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658122	0	36	-1.0	-52.20	315.52	4.22	-47.98
CCN1C=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658122	1	36	-1.0	-52.21	315.48	4.23	-47.98
C=CC(C)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658123	0	36	-1.0	-45.79	294.58	4.73	-41.06
C=CC(C)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658123	1	36	-1.0	-45.77	294.92	4.71	-41.06
CC(C)N1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658124	0	36	-1.0	-47.01	311.76	4.03	-42.98
CC(C)N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658124	1	36	-1.0	-46.98	311.72	4.03	-42.95
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658125	0	30	-1.0	-48.68	271.54	3.72	-44.96
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658125	1	30	-1.0	-48.71	271.57	3.71	-45.00
CC(=O)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658126	0	34	-1.0	-53.03	299.13	2.36	-50.67
CC(=O)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658126	1	34	-1.0	-53.00	299.17	2.36	-50.64
O=C(C=CC1=CC=CN1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658127	0	32	-1.0	-47.95	286.11	4.01	-43.94
O=C(C=CC1=CC=CN1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658127	1	32	-1.0	-47.99	286.15	4.00	-43.99
CC1=NNN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658128	0	29	-1.0	-43.05	262.63	0.53	-42.52
CC1=NNN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658128	1	29	-1.0	-43.03	262.68	0.52	-42.51
CN1C=NC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658129	0	36	-1.0	-49.26	312.32	5.48	-43.78
CN1C=NC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658129	1	36	-1.0	-49.27	312.36	5.47	-43.80
O=C(CC(=O)NC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658130	0	34	-1.0	-58.39	298.79	3.22	-55.17
O=C(CC(=O)NC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658130	1	34	-1.0	-58.36	298.84	3.21	-55.15
CC[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658131	0	42	-1.0	-45.09	331.14	6.39	-38.70
CC[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658131	1	42	-1.0	-45.07	330.92	6.41	-38.66
CC(C)C1(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658132	0	39	-1.0	-44.93	314.30	5.76	-39.17
CC(C)C1(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658132	1	39	-1.0	-44.91	314.06	5.76	-39.15
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C	REAL250004658133	0	34	-1.0	-47.43	295.78	1.00	-46.43
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C	REAL250004658133	1	34	-1.0	-47.43	295.74	1.01	-46.42
CC(C)C(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658134	0	38	-1.0	-45.10	296.05	4.77	-40.33
CC(C)C(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658134	1	38	-1.0	-45.14	296.10	4.76	-40.38
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL250004658135	0	34	-1.0	-45.52	285.74	2.68	-42.84
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL250004658135	1	34	-1.0	-45.52	285.78	2.68	-42.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(O)=C1O	REAL250004658136	0	32	-1.0	-49.98	286.10	1.03	-48.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(O)=C1O	REAL250004658136	1	32	-1.0	-49.94	286.14	1.03	-48.91
CC(C)C(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658137	0	32	-1.0	-45.70	277.42	3.90	-41.80
CC(C)C(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658137	1	32	-1.0	-45.72	277.46	3.89	-41.83
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658138	0	29	-1.0	-44.57	267.51	0.24	-44.33
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658138	1	29	-1.0	-44.58	267.55	0.23	-44.35
CCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658139	0	33	-1.0	-45.03	288.21	3.50	-41.53
CCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658139	1	33	-1.0	-45.06	288.17	3.51	-41.55
O=C(CC1=COC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658140	0	30	-1.0	-48.98	271.87	3.54	-45.44
O=C(CC1=COC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658140	1	30	-1.0	-48.97	271.91	3.53	-45.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(O)C=CC=C1F	REAL250004658141	1	31	-1.0	-50.15	287.28	2.00	-48.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(O)C=CC=C1F	REAL250004658141	1	31	-1.0	-50.12	287.24	2.01	-48.11
CC1=CN=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658142	0	35	-1.0	-50.36	307.17	4.43	-45.93
CC1=CN=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658142	1	35	-1.0	-50.40	307.41	4.43	-45.97
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658143	0	36	-1.0	-48.09	299.10	3.91	-44.18
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658143	1	36	-1.0	-48.08	299.14	3.90	-44.18
CC1(C)CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658144	0	39	-1.0	-45.40	309.80	5.50	-39.90
CC1(C)CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658144	1	39	-1.0	-45.23	309.31	5.63	-39.60
CN1C=NC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658145	0	33	-1.0	-53.84	290.92	4.66	-49.18
CN1C=NC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658145	1	33	-1.0	-53.85	290.96	4.65	-49.20
CN1N=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658146	0	36	-1.0	-48.10	312.80	3.92	-44.18
CN1N=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658146	1	36	-1.0	-48.10	312.84	3.91	-44.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCCC1	REAL250004658147	0	33	-1.0	-43.34	280.14	4.49	-38.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCCC1	REAL250004658147	1	33	-1.0	-43.36	280.19	4.50	-38.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC=N1	REAL250004658148	0	28	-1.0	-43.60	258.81	2.99	-40.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=N1	REAL250004658148	1	28	-1.0	-43.61	258.77	2.98	-40.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1C1CC1	REAL250004658149	0	34	-1.0	-50.61	298.27	3.50	-47.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1C1CC1	REAL250004658149	1	34	-1.0	-50.63	298.31	3.49	-47.14
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)NN=C1	REAL250004658149	1	34	-1.0	-46.57	296.72	3.47	-43.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)NN=C1	REAL250004658149	1	34	-1.0	-46.64	296.76	3.46	-43.18
O=C(CC1C=CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658150	0	37	-1.0	-46.88	303.28	5.73	-41.15
O=C(CC1C=CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658150	1	37	-1.0	-46.89	303.32	5.73	-41.16
CC1CCCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658151	0	39	-1.0	-46.04	314.83	5.82	-40.22
CC1CCCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658151	1	39	-1.0	-46.02	314.88	5.81	-40.21
CN1C(=O)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658152	0	34	-1.0	-53.54	290.69	2.59	-50.95
CN1C(=O)CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658152	1	34	-1.0	-53.61	290.73	2.58	-51.03
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004658153	0	36	-1.0	-47.21	306.99	6.13	-41.08
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004658153	1	36	-1.0	-47.11	307.35	6.11	-41.00
CC(=O)OC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658154	0	35	-1.0	-46.93	297.40	4.60	-42.33
CC(=O)OC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658154	1	35	-1.0	-46.88	297.45	4.59	-42.29
CC1=CC(C)=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658155	0	35	-1.0	-45.19	306.82	4.45	-40.74
CC1=CC(C)=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658155	1	35	-1.0	-45.25	306.87	4.44	-40.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(F)C1	REAL250004658156	0	33	-1.0	-48.28	281.76	4.57	-43.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(F)C1	REAL250004658156	1	33	-1.0	-48.30	281.81	4.56	-43.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2CC2)=NO1	REAL250004658157	0	33	-1.0	-42.53	297.31	4.42	-38.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2CC2)=NO1	REAL250004658157	1	33	-1.0	-42.53	297.36	4.41	-38.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCC1	REAL250004658158	0	30	-1.0	-42.99	264.30	3.91	-39.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCC1	REAL250004658158	1	30	-1.0	-42.62	264.05	3.91	-38.71
CC1CC(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658159	0	37	-1.0	-48.80	304.84	4.55	-44.25
CC1CC(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658159	1	37	-1.0	-48.76	304.88	4.55	-44.21
CCC1CCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658160	0	42	-1.0	-44.89	326.87	6.35	-38.54
CCC1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658160	1	42	-1.0	-44.96	326.62	6.34	-38.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CON=C1C1CC1	REAL250004658161	0	33	-1.0	-48.78	295.39	4.54	-44.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CON=C1C1CC1	REAL250004658161	1	33	-1.0	-48.78	295.43	4.53	-44.25
CCCC(C)(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658162	0	41	-1.0	-45.85	321.25	5.55	-40.30
CCCC(C)(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658162	1	41	-1.0	-45.85	321.30	5.54	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=N1	REAL250004658163	0	29	-1.0	-42.90	270.17	3.25	-39.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=N1	REAL250004658163	1	29	-1.0	-42.93	270.13	3.25	-39.68
CSCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658164	0	36	-1.0	-44.10	309.09	4.87	-39.23
CSCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658164	1	36	-1.0	-44.12	309.13	4.86	-39.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@@H]1C(F)F	REAL250004658165	0	30	-1.0	-45.37	274.26	4.25	-41.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@@H]1C(F)F	REAL250004658165	1	30	-1.0	-45.40	274.30	4.25	-41.15
CCCCC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658166	0	38	-1.0	-45.56	312.03	5.44	-40.12
CCCCC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658166	1	38	-1.0	-45.55	312.07	5.43	-40.12
CN1N=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658167	0	29	-1.0	-45.57	261.75	1.25	-44.32
CN1N=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658167	1	29	-1.0	-45.46	261.99	1.25	-44.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCOCC1	REAL250004658168	0	37	-1.0	-46.03	294.36	3.25	-42.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCOCC1	REAL250004658168	1	37	-1.0	-46.03	294.66	3.23	-42.80
COC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658169	0	36	-1.0	-48.17	293.38	3.75	-44.42
COC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658169	1	36	-1.0	-48.17	293.42	3.76	-44.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CS1	REAL250004658170	0	26	-1.0	-43.65	254.38	2.02	-41.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CS1	REAL250004658170	1	26	-1.0	-43.64	254.34	2.02	-41.62
CCC(C)(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658171	0	36	-1.0	-49.04	293.84	3.70	-45.34
CCC(C)(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658171	1	36	-1.0	-48.91	294.18	3.70	-45.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(F)(F)C1	REAL250004658172	0	33	-1.0	-50.23	287.03	4.64	-45.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(F)(F)C1	REAL250004658172	1	33	-1.0	-50.23	287.08	4.64	-45.59
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658173	0	37	-1.0	-49.82	308.23	4.44	-45.38
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658173	1	37	-1.0	-49.76	308.27	4.43	-45.33
CNC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658174	0	34	-1.0	-47.08	296.29	2.77	-44.31
CNC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658174	1	34	-1.0	-47.05	296.25	2.77	-44.28
C#CC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658175	0	31	-1.0	-46.94	288.79	4.30	-42.64
C#CC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658175	1	31	-1.0	-46.88	288.83	4.31	-42.57
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC=C1	REAL250004658176	0	31	-1.0	-47.57	271.59	3.37	-44.20
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC=C1	REAL250004658176	1	31	-1.0	-47.56	271.33	3.38	-44.18
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL250004658177	0	33	-1.0	-45.36	289.68	4.46	-40.90
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004658177	1	33	-1.0	-45.42	289.72	4.45	-40.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1F	REAL250004658178	0	29	-1.0	-53.47	266.12	3.09	-50.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1F	REAL250004658178	1	29	-1.0	-53.45	266.07	3.10	-50.35
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004658179	0	32	-1.0	-46.22	283.31	3.74	-42.48
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004658179	1	32	-1.0	-46.26	283.36	3.74	-42.52
O=C(CCC1=NC=CN1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658180	0	33	-1.0	-48.25	291.92	3.06	-45.19
O=C(CCC1=NC=CN1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658180	1	33	-1.0	-48.26	291.96	3.05	-45.21
O=C(CC1CCCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658181	0	37	-1.0	-49.02	301.96	3.47	-45.55
O=C(CC1CCCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658181	1	37	-1.0	-49.02	302.01	3.46	-45.56
CC(C)N1C=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658182	0	36	-1.0	-46.80	313.54	5.41	-41.39
CC(C)N1C=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658182	1	36	-1.0	-46.86	313.50	5.42	-41.44
CC1COCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658183	0	37	-1.0	-46.44	299.51	3.32	-43.12
CC1COCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658183	1	37	-1.0	-46.41	299.82	3.29	-43.12
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NS1	REAL250004658184	0	29	-1.0	-44.10	274.92	3.18	-40.92
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NS1	REAL250004658184	1	29	-1.0	-44.14	274.97	3.17	-40.97
CC(C)C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL250004658185	0	36	-1.0	-45.46	309.67	5.09	-40.37
CC(C)C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004658185	1	36	-1.0	-45.47	309.71	5.08	-40.39
CCC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658186	0	35	-1.0	-45.50	304.49	4.52	-40.98
CCC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658186	1	35	-1.0	-45.47	304.44	4.52	-40.95
CC(C)(C(N)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658187	0	33	-1.0	-57.55	281.19	1.29	-56.26
CC(C)(C(N)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658187	1	33	-1.0	-57.58	280.93	1.29	-56.29
CSC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658188	0	34	-1.0	-42.26	298.09	5.01	-37.25
CSC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658188	1	34	-1.0	-42.27	298.01	5.01	-37.26
CC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658189	0	32	-1.0	-44.18	296.13	3.58	-40.60
CC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658189	1	32	-1.0	-44.16	296.46	3.57	-40.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCN1C1CC1	REAL250004658190	0	39	-1.0	-47.68	322.26	3.73	-43.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCN1C1CC1	REAL250004658190	1	39	-1.0	-47.66	322.30	3.72	-43.94
CC(C)(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658191	0	33	-1.0	-45.49	275.29	1.90	-43.59
CC(C)(O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658191	1	33	-1.0	-45.54	275.33	1.89	-43.65
CC1C(=O)CCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658192	0	38	-1.0	-48.46	313.01	4.77	-43.69
CC1C(=O)CCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658192	1	38	-1.0	-48.47	313.06	4.76	-43.71
O=C(CCC(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658193	0	29	-1.0	-48.49	265.00	3.64	-44.85
O=C(CCC(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658193	1	29	-1.0	-48.52	265.03	3.63	-44.89
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658194	0	34	-1.0	-47.38	295.73	4.14	-43.24
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658194	1	34	-1.0	-47.39	295.77	4.14	-43.25
CN1C=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658195	0	30	-1.0	-46.78	266.82	4.05	-42.73
CN1C=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658195	1	30	-1.0	-46.77	266.78	4.04	-42.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)C1=CC=CC=C1	REAL250004658196	0	32	-1.0	-41.82	287.26	4.74	-37.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)C1=CC=CC=C1	REAL250004658196	1	32	-1.0	-41.77	287.31	4.74	-37.03
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)F	REAL250004658197	0	32	-1.0	-45.85	278.93	4.00	-41.85
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)F	REAL250004658197	1	32	-1.0	-45.80	278.97	4.00	-41.80
CN1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C#N	REAL250004658198	0	31	-1.0	-51.23	289.93	2.76	-48.47
CN1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C#N	REAL250004658198	1	31	-1.0	-51.22	289.88	2.77	-48.45
COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004658199	0	37	-1.0	-42.83	299.56	3.27	-39.56
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004658199	1	37	-1.0	-42.86	299.52	3.26	-39.60
CCC(C)C(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658200	0	39	-1.0	-47.42	320.93	4.62	-42.80
CCC(C)C(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658200	1	39	-1.0	-47.38	320.98	4.62	-42.76
CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC	REAL250004658201	0	35	-1.0	-48.91	301.52	3.94	-44.97
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC	REAL250004658201	1	35	-1.0	-48.88	301.47	3.94	-44.94
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004658202	0	38	-1.0	-45.16	315.60	4.63	-40.53
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004658202	1	38	-1.0	-45.13	315.64	4.62	-40.51
COC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658203	0	32	-1.0	-42.93	290.81	-0.14	-43.07
COC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658203	1	32	-1.0	-42.90	290.76	-0.14	-43.04
O=C(C[C@H]1CCOC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658204	0	34	-1.0	-49.01	285.59	2.67	-46.34
O=C(C[C@H]1CCOC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658204	1	34	-1.0	-49.05	285.63	2.66	-46.39
CSC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658205	0	31	-1.0	-43.27	286.97	4.39	-38.88
CSC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658205	1	31	-1.0	-43.29	287.01	4.39	-38.90
CN1C=CC=C1C(=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658206	0	33	-1.0	-44.30	291.27	4.19	-40.11
CN1C=CC=C1C(=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658206	1	33	-1.0	-44.29	291.32	4.18	-40.11
CCC(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658207	0	38	-1.0	-45.90	309.63	5.31	-40.59
CCC(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658207	1	38	-1.0	-45.92	309.67	5.30	-40.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCC2=CO1	REAL250004658208	0	34	-1.0	-45.83	296.14	4.82	-41.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCC2=CO1	REAL250004658208	1	34	-1.0	-45.81	296.18	4.82	-40.99
CCC1OCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658209	0	37	-1.0	-47.70	302.11	3.55	-44.15
CCC1OCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658209	1	37	-1.0	-47.65	302.15	3.55	-44.10
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CN1	REAL250004658210	0	34	-1.0	-47.42	293.37	4.07	-43.35
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CN1	REAL250004658210	1	34	-1.0	-47.37	293.42	4.06	-43.31
CC(C)C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CN1	REAL250004658211	0	37	-1.0	-47.57	313.46	4.65	-42.92
CC(C)C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CN1	REAL250004658211	1	37	-1.0	-47.54	313.50	4.65	-42.89
CC1(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658212	0	36	-1.0	-45.42	298.14	4.98	-40.44
CC1(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658212	1	36	-1.0	-45.39	298.19	4.97	-40.42
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL250004658213	0	30	-1.0	-46.39	279.71	4.64	-41.75
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL250004658213	1	30	-1.0	-46.39	279.75	4.63	-41.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCCCC1	REAL250004658214	0	37	-1.0	-45.09	297.11	5.69	-39.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCCCC1	REAL250004658214	1	37	-1.0	-45.08	297.15	5.68	-39.40
CC1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL250004658215	0	33	-1.0	-44.66	289.70	4.28	-40.38
CC1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL250004658215	1	33	-1.0	-44.67	289.74	4.27	-40.40
CCC(C)(C#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658216	0	33	-1.0	-44.39	285.84	3.86	-40.53
CCC(C)(C#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658216	1	33	-1.0	-44.37	285.90	3.85	-40.52
O=C(COC(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658217	0	27	-1.0	-47.83	255.44	2.23	-45.60
O=C(COC(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658217	1	27	-1.0	-47.85	255.49	2.22	-45.63
CC1=NC=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658218	0	35	-1.0	-50.47	302.93	4.24	-46.23
CC1=NC=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658218	1	35	-1.0	-50.38	302.69	4.24	-46.14
CNC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658219	0	35	-1.0	-45.22	295.98	4.09	-41.13
CNC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658219	1	35	-1.0	-45.24	296.01	4.09	-41.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCCC1	REAL250004658220	0	34	-1.0	-45.06	282.59	5.11	-39.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCCC1	REAL250004658220	1	34	-1.0	-45.03	282.62	5.10	-39.93
CC=C(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658221	0	33	-1.0	-45.15	280.46	4.60	-40.55
CC=C(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658221	1	33	-1.0	-45.14	280.50	4.60	-40.54
CN1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658222	0	29	-1.0	-44.90	267.13	1.03	-43.87
CN1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658222	1	29	-1.0	-44.91	267.09	1.04	-43.87
CC1=COC(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658223	0	33	-1.0	-45.79	295.33	4.31	-41.48
CC1=COC(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658223	1	33	-1.0	-45.81	295.37	4.31	-41.50
CC(C)C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004658224	0	36	-1.0	-45.26	309.53	4.92	-40.34
CC(C)C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004658224	1	36	-1.0	-45.27	309.57	4.92	-40.35
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL250004658225	0	30	-1.0	-45.09	274.75	4.60	-40.49
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL250004658225	1	30	-1.0	-45.07	274.78	4.60	-40.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CN1	REAL250004658226	0	27	-1.0	-45.28	249.60	1.63	-43.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CN1	REAL250004658226	1	27	-1.0	-45.26	249.64	1.62	-43.64
CN1N=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658227	0	35	-1.0	-48.38	309.39	2.54	-45.84
CN1N=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658227	1	35	-1.0	-48.38	309.44	2.53	-45.85
O=C(CC1CCC2CC21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658228	0	37	-1.0	-45.56	302.73	5.90	-39.66
O=C(CC1CCC2CC21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658228	1	37	-1.0	-45.55	302.78	5.88	-39.67
O=C(CCC1=CN=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658229	0	34	-1.0	-47.93	302.21	4.38	-43.55
O=C(CCC1=CN=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658229	1	34	-1.0	-47.95	302.17	4.39	-43.56
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658230	0	33	-1.0	-45.53	284.42	4.80	-40.73
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658230	1	33	-1.0	-45.58	284.46	4.79	-40.79
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL250004658231	0	39	-1.0	-45.93	307.91	5.51	-40.42
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658231	1	39	-1.0	-45.92	307.95	5.51	-40.41
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL250004658232	0	37	-1.0	-46.22	299.88	5.42	-40.80
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL250004658232	1	37	-1.0	-46.30	299.45	5.38	-40.92
CN(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658233	0	35	-1.0	-43.60	287.57	2.30	-41.30
CN(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658233	1	35	-1.0	-43.64	287.70	2.28	-41.36
CC1=CNN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658234	0	30	-1.0	-47.11	267.77	2.04	-45.07
CC1=CNN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658234	1	30	-1.0	-47.10	267.82	2.05	-45.05
O=C(CSC(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658235	0	27	-1.0	-46.76	267.34	3.42	-43.34
O=C(CSC(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658235	1	27	-1.0	-46.80	267.38	3.41	-43.39
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658236	0	39	-1.0	-45.52	323.35	6.10	-39.42
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658236	1	39	-1.0	-45.50	323.39	6.09	-39.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NN=C1	REAL250004658237	0	29	-1.0	-49.61	266.44	0.43	-49.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NN=C1	REAL250004658237	1	29	-1.0	-49.63	266.49	0.43	-49.20
CC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C	REAL250004658238	0	42	-1.0	-45.19	323.10	6.00	-39.19
CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C	REAL250004658238	1	42	-1.0	-45.19	323.13	6.00	-39.19
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658239	0	35	-1.0	-45.82	299.73	3.25	-42.57
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658239	1	35	-1.0	-45.87	299.77	3.24	-42.63
CC(C)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658240	0	38	-1.0	-46.05	313.17	5.43	-40.62
CC(C)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658240	1	38	-1.0	-46.06	313.22	5.42	-40.64
CCCC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658241	0	42	-1.0	-45.64	337.76	6.53	-39.11
CCCC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658241	1	42	-1.0	-45.62	337.81	6.52	-39.10
CC1=CN=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658242	0	32	-1.0	-45.33	277.72	3.81	-41.52
CC1=CN=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658242	1	32	-1.0	-45.34	277.68	3.81	-41.53
COCC#CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658243	0	29	-1.0	-46.60	271.88	2.29	-44.31
COCC#CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658243	1	29	-1.0	-45.59	271.92	2.28	-43.31
NC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658244	0	32	-1.0	-50.18	290.98	-0.56	-50.74
NC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658244	1	32	-1.0	-50.18	291.03	-0.57	-50.75
N#CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL250004658245	0	28	-1.0	-49.98	278.18	4.37	-45.61
N#CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL250004658245	1	28	-1.0	-50.03	278.22	4.36	-45.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NSC=C1	REAL250004658246	0	26	-1.0	-44.45	253.02	2.36	-42.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NSC=C1	REAL250004658246	1	26	-1.0	-44.45	252.98	2.37	-42.08
CCC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658247	0	39	-1.0	-45.72	314.77	5.80	-39.92
CCC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658247	1	39	-1.0	-45.72	314.81	5.79	-39.93
C#CCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658248	0	32	-1.0	-51.55	290.24	4.11	-47.44
C#CCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658248	1	32	-1.0	-51.51	290.29	4.11	-47.40
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CCCC2=C1	REAL250004658249	0	34	-1.0	-48.59	295.97	3.53	-45.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CCCC2=C1	REAL250004658249	1	34	-1.0	-48.59	296.01	3.52	-45.07
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C#N)N1	REAL250004658250	0	32	-1.0	-46.96	292.68	3.61	-43.35
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C#N)N1	REAL250004658250	1	32	-1.0	-46.94	292.73	3.60	-43.34
CC(F)(F)C(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658251	0	35	-1.0	-51.91	292.34	4.42	-47.49
CC(F)(F)C(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658251	1	35	-1.0	-51.90	292.38	4.41	-47.49
O=C(CSC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658252	0	31	-1.0	-47.91	286.24	4.72	-43.19
O=C(CSC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658252	1	31	-1.0	-47.94	286.28	4.71	-43.23
CN1C=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658253	0	36	-1.0	-48.97	315.35	4.07	-44.90
CN1C=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658253	1	36	-1.0	-48.97	315.40	4.06	-44.91
CC1=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004658254	0	36	-1.0	-51.99	311.41	3.77	-48.22
CC1=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004658254	1	36	-1.0	-52.02	311.45	3.76	-48.26
CC(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004658255	0	35	-1.0	-42.96	309.44	4.41	-38.55
CC(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004658255	1	35	-1.0	-42.95	309.48	4.40	-38.55
N#CC1=CSC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658256	0	28	-1.0	-56.95	275.91	4.13	-52.82
N#CC1=CSC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658256	1	28	-1.0	-56.98	275.95	4.12	-52.86
CCOC1=NNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658257	0	34	-1.0	-45.32	303.51	0.13	-45.19
CCOC1=NNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658257	1	34	-1.0	-45.30	303.47	0.14	-45.16
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1	REAL250004658258	0	33	-1.0	-46.93	289.40	2.86	-44.07
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1	REAL250004658258	1	33	-1.0	-46.93	289.44	2.85	-44.08
CC1=NC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658258	1	33	-1.0	-47.61	288.16	2.91	-44.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@@H]1C1CC1	REAL250004658259	0	34	-1.0	-45.75	295.33	5.61	-40.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@@H]1C1CC1	REAL250004658259	1	34	-1.0	-45.79	295.37	5.60	-40.19
CC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004658260	0	33	-1.0	-54.96	293.27	3.59	-51.37
CC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004658260	1	33	-1.0	-54.93	293.31	3.58	-51.35
O=C(CCC1=NOC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658261	0	32	-1.0	-47.86	287.50	3.67	-44.19
O=C(CCC1=NOC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658261	1	32	-1.0	-47.84	287.55	3.66	-44.18
CCN1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658262	0	32	-1.0	-44.55	288.94	1.87	-42.68
CCN1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658262	1	32	-1.0	-44.54	288.90	1.88	-42.66
CCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004658263	0	35	-1.0	-42.98	310.12	4.55	-38.43
CCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004658263	1	35	-1.0	-43.01	310.16	4.54	-38.47
CCC1CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658264	0	33	-1.0	-45.26	278.93	4.81	-40.45
CCC1CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658264	1	33	-1.0	-45.25	278.69	4.81	-40.44
O=C(CC1=CN=CC(O)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658265	0	33	-1.0	-52.43	297.00	0.93	-51.50
O=C(CC1=CN=CC(O)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658265	1	33	-1.0	-52.50	296.76	0.93	-51.57
CCN1N=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658266	0	32	-1.0	-45.05	283.84	2.09	-42.96
CCN1N=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658266	1	32	-1.0	-45.04	283.80	2.10	-42.94
N#CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658267	0	30	-1.0	-55.63	273.48	3.87	-51.76
N#CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658267	1	30	-1.0	-55.63	273.52	3.87	-51.76
CCN1N=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658268	0	35	-1.0	-44.32	307.47	2.47	-41.85
CCN1N=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658268	1	35	-1.0	-44.31	307.51	2.46	-41.85
COC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004658269	0	32	-1.0	-48.40	289.08	1.65	-46.75
COC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004658269	1	32	-1.0	-48.41	289.04	1.67	-46.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC1CC2	REAL250004658270	0	40	-1.0	-45.44	309.17	6.00	-39.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1CC2	REAL250004658270	1	40	-1.0	-45.49	309.22	5.99	-39.50
C=CCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658271	0	36	-1.0	-45.20	298.46	4.91	-40.29
C=CCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658271	1	36	-1.0	-45.20	298.50	4.90	-40.30
CC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658272	0	30	-1.0	-44.73	280.27	4.57	-40.16
CC1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658272	1	30	-1.0	-44.68	280.31	4.57	-40.11
CCCC(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658273	0	36	-1.0	-47.37	306.47	4.21	-43.16
CCCC(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658273	1	36	-1.0	-47.36	306.51	4.20	-43.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)OC=N1	REAL250004658274	0	33	-1.0	-45.16	295.03	1.88	-43.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)OC=N1	REAL250004658274	1	33	-1.0	-45.13	295.00	1.89	-43.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CS1	REAL250004658275	0	27	-1.0	-49.24	263.74	3.96	-45.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CS1	REAL250004658275	1	27	-1.0	-49.26	263.79	3.97	-45.29
COCC(C)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658276	0	39	-1.0	-47.55	316.93	3.57	-43.98
COCC(C)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658276	1	39	-1.0	-47.57	317.23	3.55	-44.02
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658277	0	36	-1.0	-45.47	305.92	5.57	-39.90
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658277	1	36	-1.0	-45.47	305.97	5.57	-39.90
COC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658278	0	37	-1.0	-46.36	300.85	4.27	-42.09
COC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658278	1	37	-1.0	-46.41	300.89	4.26	-42.15
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL250004658279	0	32	-1.0	-44.11	285.50	1.06	-43.05
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004658279	1	32	-1.0	-44.06	285.55	1.05	-43.01
CC(C)N1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658280	0	35	-1.0	-45.07	307.97	2.59	-42.48
CC(C)N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658280	1	35	-1.0	-45.12	307.93	2.60	-42.52
O=C(CCCC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658281	0	36	-1.0	-46.39	305.72	5.70	-40.69
O=C(CCCC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658281	1	36	-1.0	-46.40	305.48	5.71	-40.69
CC(C)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658282	0	39	-1.0	-44.94	307.73	5.73	-39.21
CC(C)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658282	1	39	-1.0	-44.93	307.76	5.73	-39.20
CCC1=NC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658283	0	35	-1.0	-43.79	306.96	1.72	-42.07
CCC1=NC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658283	1	35	-1.0	-43.76	307.00	1.73	-42.03
NC(=O)C1CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658284	0	34	-1.0	-50.01	294.62	0.53	-49.48
NC(=O)C1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658284	1	34	-1.0	-50.03	294.66	0.53	-49.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)N=CO1	REAL250004658285	0	33	-1.0	-45.64	294.75	1.89	-43.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)N=CO1	REAL250004658285	1	33	-1.0	-45.65	294.79	1.88	-43.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCCCC1	REAL250004658286	0	36	-1.0	-42.71	297.04	5.11	-37.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCCCC1	REAL250004658286	1	36	-1.0	-42.70	297.08	5.11	-37.59
N#CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658287	0	30	-1.0	-46.88	284.73	3.48	-43.40
N#CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658287	1	30	-1.0	-46.93	284.69	3.47	-43.46
CC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658288	0	33	-1.0	-47.76	299.15	3.10	-44.66
CC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658288	1	33	-1.0	-47.76	299.19	3.09	-44.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCSC1	REAL250004658289	0	34	-1.0	-44.28	291.63	4.87	-39.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCSC1	REAL250004658289	1	34	-1.0	-44.28	291.67	4.87	-39.41
CC1CC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658290	0	33	-1.0	-46.16	281.40	4.76	-41.40
CC1CC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658290	1	33	-1.0	-46.15	281.45	4.75	-41.40
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658291	0	29	-1.0	-46.31	267.61	1.20	-45.11
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658291	1	29	-1.0	-46.22	267.28	1.22	-45.00
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658292	0	36	-1.0	-45.88	292.75	5.04	-40.84
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658292	1	36	-1.0	-45.90	292.79	5.04	-40.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCOC1	REAL250004658293	0	31	-1.0	-43.52	271.01	1.91	-41.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCOC1	REAL250004658293	1	31	-1.0	-43.55	271.05	1.91	-41.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CCF)CC1	REAL250004658294	0	33	-1.0	-45.54	290.45	4.72	-40.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CCF)CC1	REAL250004658294	1	33	-1.0	-45.57	290.47	4.72	-40.85
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CN1C	REAL250004658295	0	37	-1.0	-47.87	313.22	5.68	-42.19
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CN1C	REAL250004658295	1	37	-1.0	-47.90	312.97	5.69	-42.21
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004658296	0	39	-1.0	-45.48	308.82	5.68	-39.80
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004658296	1	39	-1.0	-45.47	308.87	5.67	-39.80
N#CCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658297	0	36	-1.0	-53.86	316.47	5.44	-48.42
N#CCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658297	1	36	-1.0	-53.91	316.52	5.43	-48.48
CCOC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658298	0	37	-1.0	-48.60	313.16	3.80	-44.80
CCOC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658298	1	37	-1.0	-48.64	312.92	3.80	-44.84
CN(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL250004658299	1	38	-1.0	-46.08	311.17	3.10	-42.98
CN(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658299	1	38	-1.0	-46.08	311.21	3.09	-42.99
O=C(CC1CC2CCC1O2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658300	0	38	-1.0	-45.87	308.93	3.79	-42.08
O=C(CC1CC2CCC1O2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658300	1	38	-1.0	-45.88	308.97	3.78	-42.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CCC1	REAL250004658301	0	40	-1.0	-44.65	313.42	6.50	-38.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CCC1	REAL250004658301	1	40	-1.0	-44.64	313.18	6.50	-38.14
CC1(C)CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658302	0	40	-1.0	-44.86	318.35	6.06	-38.80
CC1(C)CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658302	1	40	-1.0	-44.80	318.41	6.05	-38.75
CC1CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658303	0	37	-1.0	-44.88	303.40	5.72	-39.16
CC1CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658303	1	37	-1.0	-44.90	303.44	5.73	-39.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004658304	0	35	-1.0	-49.87	289.05	3.05	-46.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004658304	1	35	-1.0	-49.84	289.09	3.04	-46.80
CC(C)CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658305	0	41	-1.0	-46.05	334.69	6.21	-39.84
CC(C)CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658305	1	41	-1.0	-46.03	334.73	6.20	-39.83
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCO1	REAL250004658306	0	37	-1.0	-42.90	298.17	3.64	-39.26
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCO1	REAL250004658306	1	37	-1.0	-42.86	298.21	3.64	-39.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250004658307	0	36	-1.0	-49.79	299.94	4.54	-45.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250004658307	1	36	-1.0	-49.47	299.72	4.53	-44.94
O=C(CCC1=CNN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658308	0	33	-1.0	-48.88	292.43	2.84	-46.04
O=C(CCC1=CNN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658308	1	33	-1.0	-48.87	292.38	2.85	-46.02
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL250004658309	0	36	-1.0	-45.53	296.77	5.24	-40.29
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658309	1	36	-1.0	-45.50	296.81	5.24	-40.26
CCC(CC(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658310	0	35	-1.0	-46.33	297.57	5.14	-41.19
CCC(CC(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658310	1	35	-1.0	-46.35	297.63	5.14	-41.21
CCC(C)(C)OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658311	0	39	-1.0	-48.82	316.81	4.61	-44.21
CCC(C)(C)OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658311	1	39	-1.0	-48.78	316.85	4.60	-44.18
CC(C)(C)C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658312	0	42	-1.0	-46.02	331.04	6.09	-39.93
CC(C)(C)C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658312	1	42	-1.0	-45.92	330.78	6.08	-39.84
CCOC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658313	0	36	-1.0	-48.17	302.83	4.27	-43.90
CCOC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658313	1	36	-1.0	-48.17	302.86	4.27	-43.90
CC1=CN(C)N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658314	0	33	-1.0	-47.71	290.33	3.37	-44.34
CC1=CN(C)N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658314	1	33	-1.0	-47.75	290.29	3.38	-44.37
CCC(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658315	0	41	-1.0	-45.02	323.92	6.15	-38.87
CCC(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658315	1	41	-1.0	-44.97	323.98	6.16	-38.81
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N(C)N=C1	REAL250004658316	0	33	-1.0	-44.95	293.76	3.21	-41.74
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N(C)N=C1	REAL250004658316	1	33	-1.0	-44.99	293.71	3.22	-41.77
COCC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658317	0	39	-1.0	-47.43	315.91	3.68	-43.75
COCC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658317	1	39	-1.0	-47.42	315.96	3.67	-43.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(F)CC1	REAL250004658318	0	36	-1.0	-48.62	296.83	5.15	-43.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(F)CC1	REAL250004658318	1	36	-1.0	-48.70	296.62	5.16	-43.54
CCC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658319	0	35	-1.0	-45.21	305.99	4.59	-40.62
CCC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658319	1	35	-1.0	-45.20	306.04	4.58	-40.62
O=C(CC1CC(F)(F)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658320	0	33	-1.0	-49.55	292.18	4.83	-44.72
O=C(CC1CC(F)(F)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658320	1	33	-1.0	-49.60	292.23	4.82	-44.78
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1C	REAL250004658321	0	35	-1.0	-45.39	303.05	4.35	-41.04
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1C	REAL250004658321	1	35	-1.0	-45.37	303.10	4.35	-41.02
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004658322	0	40	-1.0	-45.42	320.16	6.52	-38.90
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004658322	1	40	-1.0	-45.39	320.20	6.52	-38.87
COC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL250004658323	0	34	-1.0	-49.17	303.80	1.89	-47.28
COC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL250004658323	1	34	-1.0	-49.14	303.75	1.90	-47.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004658324	0	29	-1.0	-47.65	270.58	3.72	-43.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004658324	1	29	-1.0	-47.50	270.34	3.72	-43.78
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658325	0	31	-1.0	-45.38	280.14	2.65	-42.73
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658325	1	31	-1.0	-45.35	280.18	2.65	-42.70
CCCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CN1	REAL250004658326	0	37	-1.0	-47.50	314.89	4.84	-42.66
CCCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CN1	REAL250004658326	1	37	-1.0	-47.49	314.93	4.84	-42.65
COC(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658327	0	39	-1.0	-46.96	323.67	4.72	-42.24
COC(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658327	1	39	-1.0	-46.98	323.72	4.71	-42.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2CC2C1	REAL250004658328	0	37	-1.0	-45.24	299.35	5.77	-39.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CC2C1	REAL250004658328	1	37	-1.0	-45.18	299.39	5.76	-39.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CC2	REAL250004658329	0	31	-1.0	-45.91	273.79	4.84	-41.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CC2	REAL250004658329	1	31	-1.0	-45.86	273.83	4.83	-41.03
CC1=C(F)C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658330	0	33	-1.0	-46.87	287.56	5.62	-41.25
CC1=C(F)C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658330	1	33	-1.0	-46.85	287.60	5.62	-41.23
O=C(CC1=NC=CC=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658331	0	32	-1.0	-49.43	291.16	3.75	-45.68
O=C(CC1=NC=CC=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658331	1	32	-1.0	-49.43	291.20	3.74	-45.69
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004658332	0	30	-1.0	-48.33	270.43	4.17	-44.16
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004658332	1	30	-1.0	-48.32	270.48	4.16	-44.16
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=N1	REAL250004658333	0	36	-1.0	-47.82	308.13	4.00	-43.82
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=N1	REAL250004658333	1	36	-1.0	-47.84	308.09	4.02	-43.82
CC1CCCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658334	0	39	-1.0	-45.41	301.76	5.54	-39.87
CC1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658334	1	39	-1.0	-45.39	301.80	5.53	-39.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC(F)C1	REAL250004658335	0	36	-1.0	-44.92	296.85	5.16	-39.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC(F)C1	REAL250004658335	1	36	-1.0	-44.96	296.90	5.17	-39.79
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1(F)Cl	REAL250004658336	0	30	-1.0	-45.05	279.88	4.50	-40.55
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1(F)Cl	REAL250004658336	1	30	-1.0	-45.04	279.93	4.49	-40.55
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1F	REAL250004658337	0	30	-1.0	-44.12	265.73	4.06	-40.06
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1F	REAL250004658337	1	30	-1.0	-44.18	265.78	4.05	-40.13
C=C(C)C(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658338	0	36	-1.0	-45.11	294.44	4.75	-40.36
C=C(C)C(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658338	1	36	-1.0	-45.14	294.19	4.74	-40.40
CC1=C(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658339	0	40	-1.0	-44.90	322.44	6.23	-38.67
CC1=C(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658339	1	40	-1.0	-44.87	322.48	6.22	-38.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2CCCC2=N1	REAL250004658340	0	34	-1.0	-48.84	296.05	4.49	-44.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2CCCC2=N1	REAL250004658340	1	34	-1.0	-48.83	296.09	4.48	-44.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CCC2)C1	REAL250004658341	0	37	-1.0	-45.38	306.71	5.72	-39.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)C1	REAL250004658341	1	37	-1.0	-45.38	306.75	5.72	-39.66
COC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658342	0	33	-1.0	-46.97	293.50	2.50	-44.47
COC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658342	1	33	-1.0	-46.95	293.46	2.51	-44.44
CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658343	0	33	-1.0	-47.77	293.48	3.54	-44.23
CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658343	1	33	-1.0	-47.79	293.44	3.55	-44.24
COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658344	0	31	-1.0	-43.15	274.75	2.16	-40.99
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658344	1	31	-1.0	-43.16	274.80	2.17	-40.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(=O)C1	REAL250004658345	0	32	-1.0	-47.47	278.17	3.59	-43.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(=O)C1	REAL250004658345	1	32	-1.0	-47.53	278.21	3.58	-43.95
COCC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658347	0	37	-1.0	-45.47	315.03	3.66	-41.81
COCC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658347	1	37	-1.0	-45.42	315.09	3.65	-41.77
CN1C=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658348	0	33	-1.0	-53.77	293.16	3.34	-50.43
CN1C=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658348	1	33	-1.0	-53.76	293.20	3.33	-50.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CCC1	REAL250004658349	0	33	-1.0	-48.49	281.11	4.52	-43.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CCC1	REAL250004658349	1	33	-1.0	-48.52	281.15	4.51	-44.01
C=CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658350	0	33	-1.0	-45.78	301.99	2.62	-43.16
C=CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658350	1	33	-1.0	-45.73	301.95	2.63	-43.10
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658351	0	42	-1.0	-45.41	341.01	6.52	-38.89
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658351	1	42	-1.0	-45.39	341.06	6.51	-38.88
CC1=NOC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658352	0	29	-1.0	-48.29	263.94	2.95	-45.34
CC1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658352	1	29	-1.0	-48.32	263.69	2.95	-45.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCNC1=O	REAL250004658353	0	34	-1.0	-47.79	286.62	1.45	-46.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCNC1=O	REAL250004658353	1	34	-1.0	-47.77	286.66	1.45	-46.32
CN1C(=O)NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658354	0	31	-1.0	-53.72	276.06	1.60	-52.12
CN1C(=O)NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658354	1	31	-1.0	-53.76	276.10	1.59	-52.17
O=C(CC1CSC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658355	0	31	-1.0	-50.10	278.52	4.29	-45.81
O=C(CC1CSC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658355	1	31	-1.0	-50.13	278.57	4.28	-45.85
COC(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658356	0	31	-1.0	-46.28	268.81	1.52	-44.76
COC(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658356	1	31	-1.0	-46.26	268.86	1.51	-44.75
COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658357	0	31	-1.0	-43.69	283.00	3.33	-40.36
COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658357	1	31	-1.0	-43.67	283.03	3.33	-40.34
CC(=CC1=CC=CO1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658359	0	34	-1.0	-46.23	296.09	5.09	-41.14
CC(=CC1=CC=CO1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658359	1	34	-1.0	-46.27	296.14	5.09	-41.18
N#CCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658360	0	33	-1.0	-50.23	294.98	4.66	-45.57
N#CCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658360	1	33	-1.0	-50.22	295.02	4.65	-45.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CC1	REAL250004658361	0	30	-1.0	-44.00	264.27	4.07	-39.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CC1	REAL250004658361	1	30	-1.0	-44.00	264.31	4.06	-39.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CSC1	REAL250004658362	0	28	-1.0	-45.54	257.73	3.52	-42.02
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CSC1	REAL250004658362	1	28	-1.0	-45.56	257.77	3.51	-42.05
C[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658364	0	39	-1.0	-45.15	312.93	5.74	-39.41
C[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658364	1	39	-1.0	-45.13	312.97	5.74	-39.39
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CN1	REAL250004658365	0	30	-1.0	-47.64	267.41	3.01	-44.63
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CN1	REAL250004658365	1	30	-1.0	-47.59	267.45	3.01	-44.58
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CN1	REAL250004658366	0	33	-1.0	-47.68	288.79	3.74	-43.94
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CN1	REAL250004658366	1	33	-1.0	-47.68	288.83	3.73	-43.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004658367	0	37	-1.0	-45.52	311.29	6.10	-39.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004658367	1	37	-1.0	-45.58	311.06	6.10	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL250004658368	0	38	-1.0	-46.52	304.16	5.89	-40.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL250004658368	1	38	-1.0	-46.53	303.93	5.90	-40.63
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CN=C1	REAL250004658369	0	36	-1.0	-47.68	308.70	5.51	-42.17
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CN=C1	REAL250004658369	1	36	-1.0	-47.68	308.74	5.50	-42.18
CCN1C=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658370	0	36	-1.0	-53.54	314.70	4.20	-49.34
CCN1C=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658370	1	36	-1.0	-53.61	314.74	4.19	-49.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1COC2	REAL250004658371	0	32	-1.0	-47.20	277.66	2.59	-44.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1COC2	REAL250004658371	1	32	-1.0	-47.06	277.35	2.59	-44.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1C1CCCC1	REAL250004658372	0	40	-1.0	-45.63	328.20	6.64	-38.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1C1CCCC1	REAL250004658372	1	40	-1.0	-45.66	328.24	6.63	-39.03
CCCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658373	0	38	-1.0	-45.59	305.03	5.08	-40.51
CCCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658373	1	38	-1.0	-45.56	305.07	5.07	-40.49
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(=O)C1	REAL250004658374	0	32	-1.0	-46.60	278.48	3.51	-43.09
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(=O)C1	REAL250004658374	1	32	-1.0	-46.61	278.53	3.50	-43.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC2C1	REAL250004658375	0	34	-1.0	-46.45	283.80	5.20	-41.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL250004658375	1	34	-1.0	-46.44	283.85	5.19	-41.25
CC1=CC=NC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658376	0	35	-1.0	-49.87	303.44	4.33	-45.54
CC1=CC=NC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658376	1	35	-1.0	-49.84	303.49	4.32	-45.52
CSC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658377	0	33	-1.0	-48.27	286.23	4.17	-44.10
CSC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658377	1	33	-1.0	-48.27	286.27	4.17	-44.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(N2C=NN=N2)CC1	REAL250004658378	0	32	-1.0	-49.55	288.00	3.18	-46.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(N2C=NN=N2)CC1	REAL250004658378	1	32	-1.0	-49.62	287.95	3.17	-46.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2CC21	REAL250004658379	0	37	-1.0	-45.93	298.72	5.72	-40.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CC21	REAL250004658379	1	37	-1.0	-45.95	298.77	5.72	-40.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CF)C=C1	REAL250004658380	0	33	-1.0	-47.40	294.50	5.71	-41.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CF)C=C1	REAL250004658380	1	33	-1.0	-47.40	294.54	5.72	-41.68
O=C(CCC1CC1(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658381	0	33	-1.0	-48.50	296.26	5.07	-43.43
O=C(CCC1CC1(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658381	1	33	-1.0	-48.51	296.31	5.06	-43.45
CC1=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004658382	0	33	-1.0	-49.87	292.15	4.36	-45.51
CC1=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004658382	1	33	-1.0	-49.85	292.19	4.35	-45.50
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=N1	REAL250004658383	0	36	-1.0	-54.32	305.87	4.23	-50.09
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=N1	REAL250004658383	1	36	-1.0	-54.33	305.82	4.22	-50.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCCN12	REAL250004658384	0	34	-1.0	-49.63	292.48	4.42	-45.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCCN12	REAL250004658384	1	34	-1.0	-49.63	292.52	4.43	-45.20
CCCCC(C)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658385	0	38	-1.0	-43.64	316.63	5.44	-38.20
CCCCC(C)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658385	1	38	-1.0	-43.68	316.68	5.44	-38.24
C#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL250004658386	0	32	-1.0	-46.81	293.72	6.10	-40.71
C#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL250004658386	1	32	-1.0	-46.80	293.77	6.09	-40.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=NO1	REAL250004658387	0	26	-1.0	-41.32	262.35	2.74	-38.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=NO1	REAL250004658387	1	26	-1.0	-41.32	262.30	2.75	-38.57
CN1C(=O)NCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658388	0	33	-1.0	-56.22	288.46	0.37	-55.85
CN1C(=O)NCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658388	1	33	-1.0	-56.16	288.22	0.37	-55.79
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004658389	0	34	-1.0	-46.22	276.85	1.34	-44.88
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004658389	1	34	-1.0	-46.14	276.64	1.34	-44.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@@H](O)C1	REAL250004658390	0	31	-1.0	-49.70	269.24	0.46	-49.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@@H](O)C1	REAL250004658390	1	31	-1.0	-49.72	269.00	0.47	-49.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004658391	0	34	-1.0	-53.41	300.34	4.53	-48.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CNC=N1	REAL250004658391	1	34	-1.0	-53.38	300.39	4.52	-48.86
CC(CC1=CC=CO1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658392	0	36	-1.0	-46.16	308.95	4.98	-41.18
CC(CC1=CC=CO1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658392	1	36	-1.0	-46.11	308.99	4.98	-41.13
CC1(C)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658393	0	36	-1.0	-45.30	294.91	4.86	-40.44
CC1(C)CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658393	1	36	-1.0	-45.29	294.95	4.85	-40.44
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658394	0	37	-1.0	-49.47	300.35	4.75	-44.72
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658394	1	37	-1.0	-49.47	300.39	4.74	-44.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CC2)N=N1	REAL250004658395	0	33	-1.0	-45.35	297.42	2.74	-42.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CC2)N=N1	REAL250004658395	1	33	-1.0	-45.36	297.38	2.75	-42.61
CC(F)(F)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658396	0	33	-1.0	-42.17	292.24	4.77	-37.40
CC(F)(F)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658396	1	33	-1.0	-42.12	291.94	4.74	-37.38
O=C(COCC(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658397	0	30	-1.0	-55.71	278.42	3.14	-52.57
O=C(COCC(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658397	1	30	-1.0	-55.72	278.46	3.13	-52.59
CC1=CCC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658398	0	40	-1.0	-46.33	320.50	6.01	-40.32
CC1=CCC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658398	1	40	-1.0	-46.31	320.55	6.01	-40.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC=C1F	REAL250004658399	0	29	-1.0	-49.29	268.32	3.26	-46.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC=C1F	REAL250004658399	1	29	-1.0	-49.30	268.28	3.26	-46.04
CC1=COC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658400	0	30	-1.0	-48.63	268.77	3.56	-45.07
CC1=COC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658400	1	30	-1.0	-48.62	268.81	3.56	-45.06
COCC(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658401	0	34	-1.0	-47.18	297.83	1.87	-45.31
COCC(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658401	1	34	-1.0	-47.14	297.88	1.86	-45.28
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL250004658402	0	36	-1.0	-45.82	309.96	5.05	-40.77
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL250004658402	1	36	-1.0	-45.83	310.00	5.05	-40.78
CCCC(OCC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658403	0	39	-1.0	-48.06	324.32	5.03	-43.03
CCCC(OCC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658403	1	39	-1.0	-48.06	324.36	5.03	-43.03
COC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658404	0	34	-1.0	-44.89	291.22	2.86	-42.03
COC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658404	1	34	-1.0	-44.72	290.98	2.86	-41.86
CCOC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658405	0	37	-1.0	-48.75	312.58	5.07	-43.68
CCOC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658405	1	37	-1.0	-48.76	312.62	5.07	-43.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CC2)N=C1	REAL250004658406	0	34	-1.0	-47.43	301.22	4.17	-43.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CC2)N=C1	REAL250004658406	1	34	-1.0	-47.44	301.18	4.18	-43.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1COC(=O)N1	REAL250004658407	0	29	-1.0	-56.29	263.27	-0.82	-57.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1COC(=O)N1	REAL250004658407	1	29	-1.0	-56.33	263.31	-0.83	-57.16
O=C(CC1=CSC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658408	0	29	-1.0	-50.77	274.33	2.76	-48.01
O=C(CC1=CSC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658408	1	29	-1.0	-50.82	274.37	2.75	-48.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2(CC2)C1	REAL250004658409	0	40	-1.0	-45.21	323.94	6.43	-38.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2(CC2)C1	REAL250004658409	1	40	-1.0	-45.19	323.98	6.43	-38.76
CCCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658410	0	36	-1.0	-44.98	309.71	4.26	-40.72
CCCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658410	1	36	-1.0	-44.98	309.68	4.26	-40.72
CC1=CN=CN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658411	0	33	-1.0	-53.84	292.00	5.10	-48.74
CC1=CN=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658411	1	33	-1.0	-53.81	292.04	5.10	-48.71
CCOC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004658412	0	37	-1.0	-42.15	306.97	3.97	-38.18
CCOC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004658412	1	37	-1.0	-42.20	307.13	3.95	-38.25
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL250004658413	0	37	-1.0	-48.04	303.39	4.71	-43.33
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658413	1	37	-1.0	-48.09	303.43	4.70	-43.39
CCN1C=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658414	0	33	-1.0	-47.67	293.96	5.02	-42.65
CCN1C=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658414	1	33	-1.0	-47.68	293.91	5.03	-42.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004658415	0	32	-1.0	-44.48	276.90	2.75	-41.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004658415	1	32	-1.0	-44.52	276.94	2.74	-41.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004658416	0	34	-1.0	-45.52	285.60	5.21	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004658416	1	34	-1.0	-45.53	285.64	5.20	-40.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2)CC1	REAL250004658417	0	40	-1.0	-45.33	323.43	6.44	-38.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2)CC1	REAL250004658417	1	40	-1.0	-45.32	323.48	6.43	-38.89
CN1CCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658418	0	35	-1.0	-47.22	291.82	1.90	-45.32
CN1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658418	1	35	-1.0	-47.15	291.86	1.89	-45.26
CN1CCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658419	0	35	-1.0	-47.56	291.80	2.13	-45.43
CN1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658419	1	35	-1.0	-47.53	291.84	2.12	-45.41
C[C@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C	REAL250004658420	0	34	-1.0	-45.99	276.26	1.28	-44.71
C[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C	REAL250004658420	1	34	-1.0	-46.00	276.29	1.27	-44.73
CC1=NC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658421	0	31	-1.0	-44.90	274.34	1.99	-42.91
CC1=NC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658421	1	31	-1.0	-44.90	274.38	1.98	-42.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC2)C1	REAL250004658422	0	34	-1.0	-46.34	289.80	5.22	-41.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2)C1	REAL250004658422	1	34	-1.0	-46.33	289.84	5.22	-41.11
CN1C=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658423	0	35	-1.0	-51.10	309.32	2.85	-48.25
CN1C=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658423	1	35	-1.0	-51.05	309.36	2.85	-48.20
C=C1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658424	0	34	-1.0	-44.87	289.31	4.91	-39.96
C=C1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658424	1	34	-1.0	-44.87	289.35	4.91	-39.96
CC1=CC=NN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658425	0	33	-1.0	-51.89	293.11	3.47	-48.42
CC1=CC=NN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658425	1	33	-1.0	-51.87	293.16	3.48	-48.39
CN1C=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004658426	0	32	-1.0	-53.54	289.06	3.49	-50.05
CN1C=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004658426	1	32	-1.0	-53.55	289.01	3.50	-50.05
CCOC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658427	0	39	-1.0	-48.05	324.25	4.91	-43.14
CCOC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658427	1	39	-1.0	-48.09	324.30	4.90	-43.19
CC(C)[C@H](NC=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658428	0	36	-1.0	-45.59	300.78	2.13	-43.46
CC(C)[C@H](NC=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658428	1	36	-1.0	-45.56	300.83	2.13	-43.43
CCC1=NOC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658429	0	32	-1.0	-48.10	285.45	3.69	-44.41
CCC1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658429	1	32	-1.0	-48.09	285.49	3.67	-44.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004658430	0	34	-1.0	-45.98	303.51	5.18	-40.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=CO1	REAL250004658430	1	34	-1.0	-46.02	303.56	5.17	-40.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CC2)C=N1	REAL250004658431	0	34	-1.0	-46.97	301.42	5.50	-41.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CC2)C=N1	REAL250004658431	1	34	-1.0	-46.91	301.38	5.50	-41.41
CCC(NC(C)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658432	0	36	-1.0	-45.72	302.80	1.74	-43.98
CCC(NC(C)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658432	1	36	-1.0	-45.72	302.85	1.73	-43.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCC(=O)O1	REAL250004658433	0	30	-1.0	-54.74	269.44	3.77	-50.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCC(=O)O1	REAL250004658433	1	30	-1.0	-54.74	269.49	3.76	-50.98
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CC2)C1	REAL250004658434	0	35	-1.0	-43.94	309.30	5.39	-38.55
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CC2)C1	REAL250004658434	1	35	-1.0	-43.31	309.05	5.41	-37.90
CN1C(=O)OCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658435	0	32	-1.0	-55.49	282.47	1.84	-53.65
CN1C(=O)OCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658435	1	32	-1.0	-55.61	282.23	1.85	-53.76
CC(C)C1=NOC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658436	0	35	-1.0	-48.13	305.32	4.27	-43.86
CC(C)C1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658436	1	35	-1.0	-48.19	305.36	4.26	-43.93
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004658437	0	33	-1.0	-44.23	297.10	5.39	-38.84
CC1=CC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004658437	1	33	-1.0	-44.26	297.14	5.38	-38.88
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1CCCC2	REAL250004658438	0	37	-1.0	-45.22	299.42	5.69	-39.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1CCCC2	REAL250004658438	1	37	-1.0	-45.19	299.46	5.68	-39.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)F)CCC1	REAL250004658439	0	33	-1.0	-45.79	286.80	4.60	-41.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)F)CCC1	REAL250004658439	1	33	-1.0	-45.84	286.85	4.60	-41.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12CCC[C@H]1OCC2	REAL250004658440	0	38	-1.0	-46.85	308.08	3.71	-43.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CCC[C@H]1OCC2	REAL250004658440	1	38	-1.0	-46.92	307.86	3.71	-43.21
CCOC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658441	0	36	-1.0	-49.03	297.18	3.97	-45.06
CCOC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658441	1	36	-1.0	-48.99	297.22	3.96	-45.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(C2CC2)C1	REAL250004658442	0	37	-1.0	-45.90	310.49	6.05	-39.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2CC2)C1	REAL250004658442	1	37	-1.0	-45.88	310.53	6.05	-39.83
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCOCC1	REAL250004658443	0	34	-1.0	-44.12	288.20	2.73	-41.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCOCC1	REAL250004658443	1	34	-1.0	-44.07	288.25	2.72	-41.35
CC1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1C1CC1	REAL250004658444	0	37	-1.0	-44.48	308.24	6.21	-38.27
CC1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1C1CC1	REAL250004658444	1	37	-1.0	-44.49	308.29	6.21	-38.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC12CC2	REAL250004658445	0	37	-1.0	-45.51	304.54	5.68	-39.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC12CC2	REAL250004658445	1	37	-1.0	-45.52	304.58	5.67	-39.85
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL250004658446	0	40	-1.0	-46.45	311.35	5.80	-40.65
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL250004658446	1	40	-1.0	-46.49	311.40	5.78	-40.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=N1	REAL250004658447	0	28	-1.0	-45.72	258.53	2.05	-43.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=N1	REAL250004658447	1	28	-1.0	-45.73	258.49	2.05	-43.68
COC1=CC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658448	0	33	-1.0	-49.64	291.27	3.64	-46.00
COC1=CC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658448	1	33	-1.0	-49.65	291.23	3.65	-46.00
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)O1	REAL250004658449	0	37	-1.0	-46.16	308.33	3.46	-42.70
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)O1	REAL250004658449	1	37	-1.0	-46.31	308.10	3.47	-42.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC1C1CC12	REAL250004658450	0	38	-1.0	-45.34	300.44	5.95	-39.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC1C1CC12	REAL250004658450	1	38	-1.0	-45.31	300.48	5.95	-39.36
CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=N1	REAL250004658451	0	36	-1.0	-50.45	311.18	4.11	-46.34
CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=N1	REAL250004658451	1	36	-1.0	-50.46	311.22	4.10	-46.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=CN1	REAL250004658452	1	29	-1.0	-61.04	266.75	1.13	-59.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=CN1	REAL250004658452	1	29	-1.0	-61.00	266.79	1.13	-59.87
CC1=CN=C(F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658453	0	32	-1.0	-52.02	287.29	3.75	-48.27
CC1=CN=C(F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658453	1	32	-1.0	-52.03	287.24	3.75	-48.28
CC1=CC(F)=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658454	0	32	-1.0	-44.37	283.93	3.76	-40.61
CC1=CC(F)=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658454	1	32	-1.0	-44.39	283.98	3.76	-40.63
N#CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658455	0	28	-1.0	-50.43	270.49	3.42	-47.01
N#CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658455	1	28	-1.0	-50.43	270.53	3.41	-47.02
NC1=CC=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658456	0	31	-1.0	-44.74	273.88	1.42	-43.32
NC1=CC=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658456	1	31	-1.0	-44.70	273.84	1.42	-43.28
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCOC1	REAL250004658457	0	35	-1.0	-45.76	300.30	2.78	-42.98
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCOC1	REAL250004658457	1	35	-1.0	-45.76	300.34	2.77	-42.99
CC1=CON=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658458	0	29	-1.0	-44.95	264.09	2.82	-42.13
CC1=CON=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658458	1	29	-1.0	-44.96	264.04	2.83	-42.13
CC1CC1C1CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658459	0	37	-1.0	-45.51	310.74	6.06	-39.45
CC1CC1C1CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658459	1	37	-1.0	-45.61	310.49	6.06	-39.55
CCN1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL250004658460	0	36	-1.0	-47.01	308.60	4.01	-43.00
CCN1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL250004658460	1	36	-1.0	-47.01	308.64	4.01	-43.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004658461	0	38	-1.0	-50.46	306.51	4.57	-45.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250004658461	1	38	-1.0	-50.47	306.55	4.56	-45.91
CN1N=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658462	0	28	-1.0	-46.11	262.02	0.61	-45.50
CN1N=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658462	1	28	-1.0	-46.12	261.98	0.62	-45.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CC2)O1	REAL250004658463	0	33	-1.0	-48.37	297.47	2.27	-46.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CC2)O1	REAL250004658463	1	33	-1.0	-48.38	297.51	2.26	-46.12
CC1=NC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658464	0	32	-1.0	-52.83	288.26	1.18	-51.65
CC1=NC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658464	1	32	-1.0	-52.81	288.30	1.18	-51.63
O=C(CC1=CC=C(F)C=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658465	0	32	-1.0	-52.14	291.01	4.03	-48.11
O=C(CC1=CC=C(F)C=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658465	1	32	-1.0	-52.12	291.06	4.02	-48.10
CC1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658466	0	30	-1.0	-44.91	272.61	3.60	-41.31
CC1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658466	1	30	-1.0	-44.90	272.65	3.60	-41.30
O=C(CC1CCNC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658467	0	34	-1.0	-59.48	290.09	2.12	-57.36
O=C(CC1CCNC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658467	1	34	-1.0	-59.49	290.14	2.11	-57.38
CCCC(CC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658468	0	38	-1.0	-45.13	306.74	5.63	-39.50
CCCC(CC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658468	1	38	-1.0	-45.09	306.82	5.64	-39.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2(CC2)C12CC2	REAL250004658469	0	35	-1.0	-45.68	306.56	6.32	-39.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2(CC2)C12CC2	REAL250004658469	1	35	-1.0	-45.68	306.60	6.31	-39.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC=CCC1	REAL250004658470	0	37	-1.0	-45.51	297.85	5.60	-39.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC=CCC1	REAL250004658470	1	37	-1.0	-45.45	297.90	5.59	-39.86
CCC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658471	0	36	-1.0	-45.20	310.10	3.98	-41.22
CCC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658471	1	36	-1.0	-45.19	310.14	3.97	-41.22
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658472	0	37	-1.0	-46.68	315.74	6.39	-40.29
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658472	1	37	-1.0	-46.66	315.79	6.38	-40.28
C=CC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658473	0	36	-1.0	-44.69	292.97	4.87	-39.82
C=CC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658473	1	36	-1.0	-44.71	292.73	4.87	-39.84
O=C(COC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658474	0	31	-1.0	-50.27	276.07	3.62	-46.65
O=C(COC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658474	1	31	-1.0	-50.26	276.11	3.61	-46.65
O=C(COC1=CC=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658475	0	33	-1.0	-49.39	297.59	2.81	-46.58
O=C(COC1=CC=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658475	1	33	-1.0	-49.42	297.55	2.82	-46.60
CC1COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658476	0	34	-1.0	-49.48	287.63	3.67	-45.81
CC1COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658476	1	34	-1.0	-49.31	287.96	3.67	-45.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCO[C@H]1C1CC1	REAL250004658477	0	38	-1.0	-45.84	315.85	4.39	-41.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCO[C@H]1C1CC1	REAL250004658477	1	38	-1.0	-45.83	315.89	4.38	-41.45
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004658478	0	32	-1.0	-43.39	288.62	3.77	-39.62
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004658478	1	32	-1.0	-43.33	288.66	3.76	-39.57
C=C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658479	0	37	-1.0	-45.51	304.90	5.59	-39.92
C=C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658479	1	37	-1.0	-45.50	304.94	5.58	-39.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC=CCCC1	REAL250004658480	0	40	-1.0	-44.21	310.54	5.98	-38.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC=CCCC1	REAL250004658480	1	40	-1.0	-44.32	310.85	5.97	-38.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1CC1	REAL250004658481	0	34	-1.0	-45.40	296.53	4.37	-41.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1CC1	REAL250004658481	1	34	-1.0	-45.40	296.48	4.38	-41.02
CC1=CN=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658482	0	32	-1.0	-44.06	284.24	3.76	-40.30
CC1=CN=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658482	1	32	-1.0	-44.06	284.18	3.77	-40.29
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCO1	REAL250004658483	0	37	-1.0	-49.48	302.86	4.30	-45.18
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCO1	REAL250004658483	1	37	-1.0	-49.46	302.90	4.29	-45.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CCC1	REAL250004658484	0	37	-1.0	-45.30	298.85	5.83	-39.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CCC1	REAL250004658484	1	37	-1.0	-45.26	298.88	5.82	-39.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CC1	REAL250004658485	0	34	-1.0	-45.62	283.33	5.56	-40.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CC1	REAL250004658485	1	34	-1.0	-45.64	283.38	5.56	-40.08
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658486	0	33	-1.0	-52.80	293.24	4.26	-48.54
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658486	1	33	-1.0	-52.82	293.27	4.26	-48.56
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658487	0	38	-1.0	-49.70	312.20	4.08	-45.62
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658487	1	38	-1.0	-49.69	312.24	4.07	-45.62
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658488	0	37	-1.0	-45.31	302.16	5.68	-39.63
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658488	1	37	-1.0	-45.31	302.20	5.67	-39.64
C#CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658489	0	29	-1.0	-50.59	281.14	4.44	-46.15
C#CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658489	1	29	-1.0	-50.56	281.17	4.44	-46.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC=N1	REAL250004658490	0	28	-1.0	-49.79	259.37	2.38	-47.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC=N1	REAL250004658490	1	28	-1.0	-49.81	259.33	2.39	-47.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCC(=O)C21	REAL250004658491	0	33	-1.0	-46.93	280.76	4.06	-42.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCC(=O)C21	REAL250004658491	1	33	-1.0	-47.46	278.26	4.02	-43.44
COC1=NN(C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658492	0	34	-1.0	-55.98	303.52	0.91	-55.07
COC1=NN(C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658492	1	34	-1.0	-55.98	303.47	0.91	-55.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1CCC2	REAL250004658493	0	34	-1.0	-45.48	286.24	5.17	-40.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1CCC2	REAL250004658493	1	34	-1.0	-45.44	286.28	5.17	-40.27
O=C(CC1CC=CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658494	0	37	-1.0	-46.78	303.21	5.75	-41.03
O=C(CC1CC=CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658494	1	37	-1.0	-46.80	303.25	5.74	-41.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004658495	0	40	-1.0	-46.15	308.77	6.24	-39.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[C@@H]2C[C@@H]2CC1	REAL250004658495	1	40	-1.0	-46.11	308.81	6.23	-39.88
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CCC1	REAL250004658496	0	34	-1.0	-45.04	285.71	4.90	-40.14
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CCC1	REAL250004658496	1	34	-1.0	-45.00	285.76	4.90	-40.10
CCCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658497	0	39	-1.0	-45.71	326.87	6.14	-39.57
CCCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658497	1	39	-1.0	-45.68	326.90	6.13	-39.55
C=CC(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658498	0	36	-1.0	-46.30	302.66	5.17	-41.13
C=CC(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658498	1	36	-1.0	-46.34	302.71	5.16	-41.18
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)C=CN1	REAL250004658499	0	30	-1.0	-58.99	271.13	2.66	-56.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)C=CN1	REAL250004658499	1	30	-1.0	-58.84	271.45	2.65	-56.19
CC1=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004658500	0	35	-1.0	-47.08	309.42	4.49	-42.59
CC1=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004658500	1	35	-1.0	-47.07	309.48	4.48	-42.59
CC[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658501	0	37	-1.0	-46.03	308.42	3.48	-42.55
CC[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658501	1	37	-1.0	-46.00	308.18	3.49	-42.51
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=N1	REAL250004658502	0	32	-1.0	-43.94	291.13	1.44	-42.50
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=N1	REAL250004658502	1	32	-1.0	-43.93	291.09	1.44	-42.49
COC1=NC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658503	0	32	-1.0	-44.60	290.97	-0.27	-44.87
COC1=NC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658503	1	32	-1.0	-44.62	290.92	-0.27	-44.89
CC(C)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)F	REAL250004658504	0	35	-1.0	-46.71	294.29	4.64	-42.07
CC(C)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)F	REAL250004658504	1	35	-1.0	-46.81	294.05	4.64	-42.17
CN1C(=O)CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658505	0	34	-1.0	-53.90	290.48	2.59	-51.31
CN1C(=O)CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658505	1	34	-1.0	-53.89	290.52	2.58	-51.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)O1	REAL250004658506	0	27	-1.0	-41.91	257.16	3.02	-38.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)O1	REAL250004658506	1	27	-1.0	-41.91	257.20	3.02	-38.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1F	REAL250004658507	0	36	-1.0	-48.56	296.48	5.14	-43.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1F	REAL250004658507	1	36	-1.0	-48.78	296.27	5.14	-43.64
CC1(C)C(C)(C)C1(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658508	0	42	-1.0	-44.49	320.51	5.93	-38.56
CC1(C)C(C)(C)C1(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658508	1	42	-1.0	-44.54	320.56	5.92	-38.62
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004658509	0	35	-1.0	-44.45	300.81	4.50	-39.95
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004658509	1	35	-1.0	-44.45	300.77	4.51	-39.94
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004658510	0	34	-1.0	-45.70	284.73	4.91	-40.79
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004658510	1	34	-1.0	-45.68	284.77	4.90	-40.78
CC(C)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COC1	REAL250004658511	0	37	-1.0	-44.08	296.57	3.00	-41.08
CC(C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COC1	REAL250004658511	1	37	-1.0	-44.07	296.61	3.00	-41.07
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL250004658512	0	35	-1.0	-45.38	302.44	4.37	-41.01
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL250004658512	1	35	-1.0	-45.34	302.48	4.37	-40.97
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CNN=C21	REAL250004658513	0	34	-1.0	-48.24	292.92	3.05	-45.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CNN=C21	REAL250004658513	1	34	-1.0	-48.27	292.96	3.04	-45.23
C=CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658514	0	34	-1.0	-47.30	305.90	4.06	-43.24
C=CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658514	1	34	-1.0	-47.29	305.86	4.07	-43.22
CC1CCC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658515	0	42	-1.0	-45.18	325.02	6.03	-39.15
CC1CCC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658515	1	42	-1.0	-45.23	324.77	6.04	-39.19
CN1C=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658516	0	32	-1.0	-59.65	286.88	2.13	-57.52
CN1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658516	1	32	-1.0	-59.68	286.92	2.12	-57.56
CC1=NOC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658517	0	35	-1.0	-47.95	309.45	4.54	-43.41
CC1=NOC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658517	1	35	-1.0	-47.99	309.49	4.54	-43.45
CC1(C)C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL250004658518	0	42	-1.0	-46.37	334.07	6.22	-40.15
CC1(C)C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL250004658518	1	42	-1.0	-46.35	334.11	6.20	-40.15
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=NN=N1	REAL250004658519	0	31	-1.0	-55.66	278.84	2.54	-53.12
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=NN=N1	REAL250004658519	1	31	-1.0	-55.66	278.79	2.54	-53.12
CNC(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658520	0	33	-1.0	-47.17	290.45	0.92	-46.25
CNC(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658520	1	33	-1.0	-47.17	290.49	0.91	-46.26
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1F	REAL250004658521	0	32	-1.0	-44.41	290.53	3.74	-40.67
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1F	REAL250004658521	1	32	-1.0	-44.40	290.49	3.74	-40.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004658522	0	35	-1.0	-44.64	293.16	3.42	-41.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2CCCO[C@H]21	REAL250004658522	1	35	-1.0	-44.67	293.20	3.41	-41.26
CC1(C)CC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658523	0	39	-1.0	-46.03	324.25	6.07	-39.96
CC1(C)CC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658523	1	39	-1.0	-46.01	324.30	6.06	-39.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[C@H]1C1CC1	REAL250004658524	0	40	-1.0	-45.81	322.80	6.49	-39.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1C1CC1	REAL250004658524	1	40	-1.0	-45.82	322.84	6.48	-39.34
COC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658525	0	37	-1.0	-48.70	306.39	3.62	-45.08
COC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658525	1	37	-1.0	-48.69	306.44	3.61	-45.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCCC21	REAL250004658526	0	37	-1.0	-45.97	300.50	5.61	-40.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCCC21	REAL250004658526	1	37	-1.0	-46.01	300.54	5.60	-40.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=C1C1CC1	REAL250004658527	0	34	-1.0	-47.84	297.62	3.48	-44.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=C1C1CC1	REAL250004658527	1	34	-1.0	-47.78	297.66	3.48	-44.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2CC2CC1	REAL250004658528	0	40	-1.0	-45.11	306.03	6.07	-39.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CC2CC1	REAL250004658528	1	40	-1.0	-45.09	306.06	6.07	-39.02
O=C(CC1CCC=CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658529	0	40	-1.0	-45.91	317.09	6.27	-39.64
O=C(CC1CCC=CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658529	1	40	-1.0	-45.89	317.13	6.26	-39.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCOCC1	REAL250004658530	0	35	-1.0	-45.59	289.40	3.38	-42.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCOCC1	REAL250004658530	1	35	-1.0	-45.57	289.44	3.38	-42.19
CC1(C)CCC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658531	0	40	-1.0	-44.61	318.32	6.07	-38.54
CC1(C)CCC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658531	1	40	-1.0	-44.60	318.37	6.06	-38.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)O1	REAL250004658532	0	34	-1.0	-43.91	304.12	5.32	-38.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)O1	REAL250004658532	1	34	-1.0	-43.94	304.17	5.33	-38.61
CC1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658533	0	36	-1.0	-46.08	300.59	5.28	-40.80
CC1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658533	1	36	-1.0	-46.08	300.62	5.28	-40.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1F	REAL250004658534	0	30	-1.0	-49.46	263.63	3.91	-45.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1F	REAL250004658534	1	30	-1.0	-49.47	263.67	3.91	-45.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004658535	0	38	-1.0	-45.36	306.38	6.19	-39.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250004658535	1	38	-1.0	-45.37	306.41	6.18	-39.19
CC1CC2CC2CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658536	0	40	-1.0	-45.61	317.73	6.32	-39.29
CC1CC2CC2CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658536	1	40	-1.0	-45.60	317.77	6.30	-39.30
CN1C=CC(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658537	0	33	-1.0	-54.96	290.55	4.40	-50.56
CN1C=CC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658537	1	33	-1.0	-54.94	290.59	4.40	-50.54
CCC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL250004658538	0	33	-1.0	-46.99	292.86	2.91	-44.08
CCC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL250004658538	1	33	-1.0	-47.00	292.90	2.90	-44.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004658540	0	40	-1.0	-45.41	311.40	6.19	-39.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250004658540	1	40	-1.0	-45.45	311.44	6.18	-39.27
CC1=NOC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658541	0	32	-1.0	-52.05	287.95	3.57	-48.48
CC1=NOC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658541	1	32	-1.0	-52.07	288.00	3.56	-48.51
CCN1C(=O)NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658542	0	34	-1.0	-53.23	297.88	2.54	-50.69
CCN1C(=O)NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658542	1	34	-1.0	-53.20	298.19	2.52	-50.68
CNC1=NC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658543	0	34	-1.0	-46.63	293.01	3.45	-43.18
CNC1=NC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658543	1	34	-1.0	-46.61	292.97	3.46	-43.15
COC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658544	0	34	-1.0	-49.48	292.82	4.18	-45.30
COC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658544	1	34	-1.0	-49.50	292.86	4.18	-45.32
O=C(CC1CCC2CC2C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658545	0	40	-1.0	-46.28	318.72	6.45	-39.83
O=C(CC1CCC2CC2C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658545	1	40	-1.0	-46.31	318.76	6.44	-39.87
CC1=NSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658546	0	29	-1.0	-43.84	275.44	3.13	-40.71
CC1=NSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658546	1	29	-1.0	-43.89	275.48	3.12	-40.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1CF	REAL250004658547	0	30	-1.0	-47.79	269.64	4.17	-43.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1CF	REAL250004658547	1	30	-1.0	-47.76	269.69	4.16	-43.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1CCCO1	REAL250004658548	0	38	-1.0	-44.42	317.61	4.48	-39.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1CCCO1	REAL250004658548	1	38	-1.0	-44.41	317.65	4.47	-39.94
CC(C)(CF)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658549	0	32	-1.0	-43.67	274.30	3.90	-39.77
CC(C)(CF)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658549	1	32	-1.0	-43.65	274.34	3.90	-39.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CCO1	REAL250004658550	0	32	-1.0	-48.52	276.89	3.74	-44.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCO1	REAL250004658550	1	32	-1.0	-48.51	276.93	3.73	-44.78
O=C(CC1CC(F)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658551	0	33	-1.0	-46.60	285.59	4.75	-41.85
O=C(CC1CC(F)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658551	1	33	-1.0	-46.57	285.63	4.74	-41.83
C=C(C)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658552	0	36	-1.0	-46.67	308.55	5.36	-41.31
C=C(C)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658552	1	36	-1.0	-46.68	308.59	5.36	-41.32
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658553	0	28	-1.0	-47.74	262.62	3.78	-43.96
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658553	1	28	-1.0	-47.61	262.38	3.78	-43.83
CN(C)C(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658554	0	36	-1.0	-46.68	307.81	2.88	-43.80
CN(C)C(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658554	1	36	-1.0	-46.68	307.85	2.87	-43.81
O=C(CCC[N+](=O)[O-])NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658555	0	31	-1.0	-53.79	281.72	3.76	-50.03
O=C(CCC[N+](=O)[O-])NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658555	1	31	-1.0	-53.74	281.76	3.76	-49.98
C=C(C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658556	0	33	-1.0	-45.44	286.50	4.58	-40.86
C=C(C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658556	1	33	-1.0	-45.43	286.54	4.57	-40.86
CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658557	0	38	-1.0	-45.17	303.21	5.03	-40.14
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658557	1	38	-1.0	-45.21	303.21	5.02	-40.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=C1COC2	REAL250004658558	0	32	-1.0	-49.96	286.00	2.33	-47.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C1COC2	REAL250004658558	1	32	-1.0	-50.03	286.04	2.32	-47.71
N#CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004658559	0	31	-1.0	-57.47	292.37	3.46	-54.01
N#CC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004658559	1	31	-1.0	-57.44	292.33	3.47	-53.97
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCOCC21	REAL250004658560	0	35	-1.0	-44.98	294.98	3.49	-41.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCOCC21	REAL250004658560	1	35	-1.0	-44.97	295.02	3.49	-41.48
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C)O1	REAL250004658561	0	36	-1.0	-45.03	311.58	5.29	-39.74
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C)O1	REAL250004658561	1	36	-1.0	-45.03	311.62	5.28	-39.75
CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL250004658562	0	36	-1.0	-44.72	311.31	5.30	-39.42
CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL250004658562	1	36	-1.0	-44.73	311.35	5.29	-39.44
CC1OCCC1(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658563	0	34	-1.0	-43.36	292.02	2.66	-40.70
CC1OCCC1(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658563	1	34	-1.0	-43.34	292.06	2.66	-40.68
CCC(C)(C)C(O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658564	0	39	-1.0	-45.30	306.89	3.22	-42.08
CCC(C)(C)C(O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658564	1	39	-1.0	-45.32	306.94	3.20	-42.12
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=N1	REAL250004658565	0	32	-1.0	-45.09	284.95	0.95	-44.14
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=N1	REAL250004658565	1	32	-1.0	-45.09	284.99	0.95	-44.14
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CS1	REAL250004658566	0	29	-1.0	-44.73	270.56	2.70	-42.03
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CS1	REAL250004658566	1	29	-1.0	-44.70	270.52	2.72	-41.98
CC1(C)CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658567	0	39	-1.0	-45.55	310.94	5.34	-40.21
CC1(C)CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658567	1	39	-1.0	-45.50	310.63	5.35	-40.15
CSC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658568	0	36	-1.0	-45.31	311.17	4.88	-40.43
CSC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658568	1	36	-1.0	-45.32	311.21	4.88	-40.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(F)C1	REAL250004658569	0	30	-1.0	-44.68	264.45	3.96	-40.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)C1	REAL250004658569	1	30	-1.0	-44.61	264.21	3.96	-40.65
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL250004658570	0	35	-1.0	-45.95	304.92	4.35	-41.60
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL250004658570	1	35	-1.0	-45.93	304.96	4.35	-41.58
CC1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658571	0	36	-1.0	-45.41	292.88	4.77	-40.64
CC1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658571	1	36	-1.0	-45.44	292.92	4.77	-40.67
C#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL250004658572	0	35	-1.0	-44.45	299.09	5.41	-39.04
C#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004658572	1	35	-1.0	-44.46	299.14	5.41	-39.05
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C#N)C1	REAL250004658573	0	34	-1.0	-57.65	291.65	4.55	-53.10
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C#N)C1	REAL250004658573	1	34	-1.0	-57.66	291.69	4.54	-53.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(N2C=CN=N2)CC1	REAL250004658574	0	33	-1.0	-50.49	295.97	2.82	-47.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(N2C=CN=N2)CC1	REAL250004658574	1	33	-1.0	-50.32	295.05	2.84	-47.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(CC1)CC2	REAL250004658575	0	40	-1.0	-44.98	311.76	5.95	-39.03
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CC1)CC2	REAL250004658575	1	40	-1.0	-45.03	311.51	5.95	-39.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL250004658576	0	38	-1.0	-47.30	300.73	3.60	-43.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL250004658576	1	38	-1.0	-47.33	300.79	3.60	-43.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NS1	REAL250004658577	0	26	-1.0	-44.15	253.76	2.54	-41.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NS1	REAL250004658577	1	26	-1.0	-44.12	253.71	2.55	-41.57
CCC(CCOC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658578	0	39	-1.0	-47.64	318.92	3.93	-43.71
CCC(CCOC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658578	1	39	-1.0	-47.66	318.99	3.93	-43.73
CN1N=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658579	0	33	-1.0	-52.72	291.40	3.08	-49.64
CN1N=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658579	1	33	-1.0	-52.70	291.44	3.07	-49.63
CCCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658580	0	36	-1.0	-47.34	314.98	4.28	-43.06
CCCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658580	1	36	-1.0	-47.33	314.94	4.30	-43.03
C[C@H](CC(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658581	0	32	-1.0	-44.10	284.44	4.26	-39.84
C[C@H](CC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658581	1	32	-1.0	-44.05	284.50	4.25	-39.80
CCN1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658582	0	34	-1.0	-45.59	292.21	5.23	-40.36
CCN1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658582	1	34	-1.0	-45.59	292.25	5.22	-40.37
CC1CC(=O)NC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658583	0	34	-1.0	-52.22	293.99	1.08	-51.14
CC1CC(=O)NC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658583	1	34	-1.0	-52.22	294.03	1.07	-51.15
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCC2	REAL250004658584	0	35	-1.0	-43.64	307.95	5.50	-38.14
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCC2	REAL250004658584	1	35	-1.0	-43.32	307.70	5.51	-37.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCOC2	REAL250004658585	0	38	-1.0	-47.66	313.07	3.70	-43.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCOC2	REAL250004658585	1	38	-1.0	-47.67	313.12	3.69	-43.98
CCC1(CC)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658586	0	42	-1.0	-45.25	332.59	6.16	-39.09
CCC1(CC)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658586	1	42	-1.0	-45.26	332.63	6.16	-39.10
O=C(CN1N=CN=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658587	0	28	-1.0	-54.41	261.20	1.76	-52.65
O=C(CN1N=CN=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658587	1	28	-1.0	-54.42	261.16	1.76	-52.66
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]21	REAL250004658588	0	40	-1.0	-46.86	319.22	6.19	-40.67
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]21	REAL250004658588	1	40	-1.0	-46.92	318.68	6.21	-40.71
CC(C)=CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658589	0	36	-1.0	-45.68	304.23	5.36	-40.32
CC(C)=CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658589	1	36	-1.0	-45.67	304.27	5.35	-40.32
COC1=CC=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658590	0	33	-1.0	-49.39	289.18	3.55	-45.84
COC1=CC=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658590	1	33	-1.0	-49.41	288.86	3.57	-45.84
CC(=O)OCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658591	0	35	-1.0	-50.02	309.66	4.33	-45.69
CC(=O)OCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658591	1	35	-1.0	-50.01	309.70	4.32	-45.69
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(=O)C1	REAL250004658592	0	35	-1.0	-51.79	294.53	4.13	-47.66
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(=O)C1	REAL250004658592	1	35	-1.0	-51.81	294.57	4.13	-47.68
CCCC(CC)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658593	0	41	-1.0	-45.84	323.14	5.91	-39.93
CCCC(CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658593	1	41	-1.0	-45.84	323.18	5.90	-39.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C(F)(F)C12CC2	REAL250004658594	0	31	-1.0	-45.72	287.09	4.98	-40.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C(F)(F)C12CC2	REAL250004658594	1	31	-1.0	-46.03	286.84	4.99	-41.04
COCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004658595	0	34	-1.0	-44.97	302.98	2.72	-42.25
COCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004658595	1	34	-1.0	-44.96	303.03	2.72	-42.24
COC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658596	0	33	-1.0	-47.08	291.11	2.37	-44.71
COC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658596	1	33	-1.0	-47.07	291.07	2.37	-44.70
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658597	0	32	-1.0	-55.22	282.28	-0.04	-55.26
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658597	1	32	-1.0	-55.28	282.32	-0.04	-55.32
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL250004658598	0	30	-1.0	-44.51	278.64	2.63	-41.88
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL250004658598	1	30	-1.0	-44.47	278.60	2.64	-41.83
CC1(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(F)F	REAL250004658599	0	33	-1.0	-45.10	287.89	4.68	-40.42
CC1(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(F)F	REAL250004658599	1	33	-1.0	-45.33	288.21	4.66	-40.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)CC1CC1	REAL250004658600	0	33	-1.0	-45.24	290.52	4.95	-40.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)CC1CC1	REAL250004658600	1	33	-1.0	-45.21	290.56	4.93	-40.28
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004658601	0	39	-1.0	-45.58	319.32	6.07	-39.51
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658601	1	39	-1.0	-45.58	319.36	6.06	-39.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC(=O)N2)C1	REAL250004658602	0	35	-1.0	-50.25	303.57	0.50	-49.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC(=O)N2)C1	REAL250004658602	1	35	-1.0	-50.28	303.62	0.51	-49.77
O=C(CCOC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658603	0	34	-1.0	-45.31	297.02	3.41	-41.90
O=C(CCOC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658603	1	34	-1.0	-45.32	297.06	3.40	-41.92
COCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658604	0	34	-1.0	-47.60	300.28	1.22	-46.38
COCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658604	1	34	-1.0	-47.60	300.24	1.23	-46.37
CC(C)C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL250004658605	0	35	-1.0	-43.79	309.82	1.60	-42.19
CC(C)C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL250004658605	1	35	-1.0	-43.79	309.86	1.59	-42.20
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658606	0	32	-1.0	-48.38	288.91	0.77	-47.61
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658606	1	32	-1.0	-48.39	288.95	0.76	-47.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCCO2	REAL250004658607	0	38	-1.0	-49.33	313.44	3.92	-45.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCCO2	REAL250004658607	1	38	-1.0	-49.28	313.48	3.91	-45.37
NC(=O)C1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658608	0	30	-1.0	-45.66	284.04	-1.01	-46.67
NC(=O)C1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658608	1	30	-1.0	-45.67	284.00	-1.01	-46.68
CCSC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658609	0	33	-1.0	-47.96	294.08	4.48	-43.48
CCSC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658609	1	33	-1.0	-47.96	294.13	4.47	-43.49
O=C(CC1COCCO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658610	0	35	-1.0	-50.33	295.83	2.47	-47.86
O=C(CC1COCCO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658610	1	35	-1.0	-50.34	295.87	2.47	-47.87
CCC1(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658611	0	39	-1.0	-45.38	315.36	5.61	-39.77
CCC1(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658611	1	39	-1.0	-45.42	315.41	5.60	-39.82
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)F	REAL250004658612	0	32	-1.0	-47.76	280.76	4.17	-43.59
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)F	REAL250004658612	1	32	-1.0	-47.74	280.80	4.16	-43.58
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)C=N1	REAL250004658613	0	35	-1.0	-45.09	299.28	4.42	-40.67
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)C=N1	REAL250004658613	1	35	-1.0	-45.06	299.33	4.42	-40.64
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC(C)=N1	REAL250004658614	0	34	-1.0	-43.30	302.28	3.54	-39.76
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC(C)=N1	REAL250004658614	1	34	-1.0	-43.25	302.32	3.55	-39.70
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NS1	REAL250004658615	0	29	-1.0	-44.30	269.46	3.36	-40.94
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NS1	REAL250004658615	1	29	-1.0	-44.31	269.49	3.36	-40.95
COC(=O)C(OC)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658616	0	33	-1.0	-49.47	296.94	3.19	-46.28
COC(=O)C(OC)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658616	1	33	-1.0	-49.47	296.98	3.19	-46.28
N#CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658617	0	31	-1.0	-56.40	292.90	3.27	-53.13
N#CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658617	1	31	-1.0	-56.44	292.86	3.28	-53.16
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658618	0	38	-1.0	-46.56	308.16	3.77	-42.79
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658618	1	38	-1.0	-46.56	308.20	3.76	-42.80
CCN1C=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658619	0	32	-1.0	-51.43	288.43	4.19	-47.24
CCN1C=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658619	1	32	-1.0	-51.40	288.38	4.19	-47.21
N#CCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658620	0	31	-1.0	-49.59	287.57	3.24	-46.35
N#CCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658620	1	31	-1.0	-49.60	287.53	3.25	-46.35
CC(C)CC(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658621	0	35	-1.0	-46.06	295.82	4.64	-41.42
CC(C)CC(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658621	1	35	-1.0	-46.00	295.86	4.63	-41.37
C=C(Cl)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658622	0	30	-1.0	-45.44	282.17	4.46	-40.98
C=C(Cl)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658622	1	30	-1.0	-45.45	282.20	4.45	-41.00
CC(CC1CCC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658623	0	39	-1.0	-45.52	316.54	5.94	-39.58
CC(CC1CCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658623	1	39	-1.0	-45.53	316.59	5.94	-39.59
O=C(CCCC1CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658624	0	39	-1.0	-46.28	322.35	6.22	-40.06
O=C(CCCC1CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658624	1	39	-1.0	-46.27	322.39	6.21	-40.06
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658625	0	34	-1.0	-46.53	297.03	3.99	-42.54
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658625	1	34	-1.0	-46.53	297.07	4.00	-42.53
C=CCC(C)(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658626	0	39	-1.0	-45.51	313.47	5.57	-39.94
C=CCC(C)(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658626	1	39	-1.0	-45.53	313.52	5.56	-39.97
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)OC	REAL250004658627	0	36	-1.0	-48.60	299.74	4.15	-44.45
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)OC	REAL250004658627	1	36	-1.0	-48.60	299.78	4.14	-44.46
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL250004658628	0	42	-1.0	-45.61	330.74	6.46	-39.15
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658628	1	42	-1.0	-45.62	330.78	6.45	-39.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC(C2)C1	REAL250004658629	0	40	-1.0	-44.99	309.44	5.94	-39.05
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC(C2)C1	REAL250004658629	1	40	-1.0	-44.98	309.48	5.93	-39.05
CC1(C)C(=O)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658630	0	35	-1.0	-46.21	297.99	3.96	-42.25
CC1(C)C(=O)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658630	1	35	-1.0	-46.19	298.03	3.95	-42.24
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658631	0	36	-1.0	-45.57	303.49	5.35	-40.22
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658631	1	36	-1.0	-45.58	303.53	5.34	-40.24
CCCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=N1	REAL250004658632	0	35	-1.0	-45.03	306.47	1.74	-43.29
CCCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=N1	REAL250004658632	1	35	-1.0	-45.06	306.51	1.73	-43.33
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004658633	0	35	-1.0	-44.79	301.16	4.48	-40.31
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004658633	1	35	-1.0	-44.78	301.21	4.47	-40.31
CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CO2	REAL250004658634	0	35	-1.0	-44.87	297.05	2.99	-41.88
CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CO2	REAL250004658634	1	35	-1.0	-44.89	297.09	2.99	-41.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(CO1)CCC2	REAL250004658635	0	38	-1.0	-43.21	302.73	3.76	-39.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(CO1)CCC2	REAL250004658635	1	38	-1.0	-43.23	302.78	3.75	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(C1)CO2	REAL250004658636	0	32	-1.0	-43.59	274.63	2.59	-41.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)CO2	REAL250004658636	1	32	-1.0	-43.59	274.68	2.59	-41.00
CCCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658637	0	37	-1.0	-46.28	318.52	4.77	-41.51
CCCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658637	1	37	-1.0	-46.24	318.57	4.78	-41.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC=CCC1	REAL250004658638	0	34	-1.0	-44.83	284.96	5.03	-39.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC=CCC1	REAL250004658638	1	34	-1.0	-44.84	285.01	5.03	-39.81
O=C(CC1CC(=O)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658639	0	32	-1.0	-52.11	281.77	3.74	-48.37
O=C(CC1CC(=O)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658639	1	32	-1.0	-52.15	281.81	3.73	-48.42
CN(C)C(=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658640	0	30	-1.0	-41.98	263.83	1.42	-40.56
CN(C)C(=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658640	1	30	-1.0	-41.97	263.88	1.41	-40.56
COC(=O)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658641	0	32	-1.0	-53.19	282.23	4.10	-49.09
COC(=O)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658641	1	32	-1.0	-53.26	282.29	4.10	-49.16
CCC1=CSC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658642	0	33	-1.0	-45.59	294.98	5.26	-40.33
CCC1=CSC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658642	1	33	-1.0	-45.59	295.01	5.25	-40.34
CC(C)C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658643	0	39	-1.0	-45.67	319.64	5.83	-39.84
CC(C)C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658643	1	39	-1.0	-45.60	319.41	5.83	-39.77
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NNC1=O	REAL250004658644	0	32	-1.0	-44.42	288.40	1.06	-43.36
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NNC1=O	REAL250004658644	1	32	-1.0	-44.41	288.45	1.06	-43.35
O=C(CC1=CN=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658645	0	31	-1.0	-51.76	280.55	3.59	-48.17
O=C(CC1=CN=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658645	1	31	-1.0	-51.73	280.51	3.59	-48.14
CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL250004658646	0	35	-1.0	-43.46	296.66	3.10	-40.36
CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL250004658646	1	35	-1.0	-43.47	296.70	3.09	-40.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CCCO1	REAL250004658647	0	38	-1.0	-44.14	310.36	4.66	-39.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CCCO1	REAL250004658647	1	38	-1.0	-44.56	310.10	4.66	-39.90
CC1(F)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658648	0	33	-1.0	-44.37	285.35	4.56	-39.81
CC1(F)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658648	1	33	-1.0	-44.36	285.39	4.55	-39.81
CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658649	0	30	-1.0	-48.32	275.36	3.92	-44.40
CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658649	1	30	-1.0	-48.34	275.40	3.91	-44.43
CN1C=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL250004658650	0	32	-1.0	-52.34	284.21	3.71	-48.63
CN1C=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL250004658650	1	32	-1.0	-52.07	283.89	3.73	-48.34
C=CCC(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658651	0	42	-1.0	-44.50	334.53	6.25	-38.25
C=CCC(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658651	1	42	-1.0	-44.48	334.59	6.25	-38.23
CC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004658652	0	34	-1.0	-49.58	288.21	3.88	-45.70
CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004658652	1	34	-1.0	-49.54	288.24	3.87	-45.67
CC1OC2(C)CC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL250004658653	0	38	-1.0	-44.51	310.84	3.91	-40.60
CC1OC2(C)CC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL250004658653	1	38	-1.0	-44.50	310.88	3.90	-40.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12COC(C=CC1)C2	REAL250004658654	0	36	-1.0	-45.15	298.16	3.43	-41.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12COC(C=CC1)C2	REAL250004658654	1	36	-1.0	-45.17	298.20	3.42	-41.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12COC(C1)CCC2	REAL250004658655	0	38	-1.0	-45.15	301.93	3.54	-41.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12COC(C1)CCC2	REAL250004658655	1	38	-1.0	-45.18	301.97	3.53	-41.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(CO1)C2	REAL250004658656	0	35	-1.0	-43.72	290.90	3.12	-40.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CO1)C2	REAL250004658656	1	35	-1.0	-43.70	290.94	3.12	-40.58
CC12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)C2	REAL250004658657	0	38	-1.0	-45.11	312.80	3.61	-41.50
CC12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)C2	REAL250004658657	1	38	-1.0	-45.10	312.84	3.59	-41.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC2F)C1	REAL250004658658	0	34	-1.0	-48.06	296.57	5.32	-42.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2F)C1	REAL250004658658	1	34	-1.0	-48.04	296.62	5.32	-42.72
CC1(C)CC1(C#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658659	0	34	-1.0	-43.33	296.23	4.74	-38.59
CC1(C)CC1(C#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658659	1	34	-1.0	-43.34	296.28	4.75	-38.59
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658661	0	37	-1.0	-46.77	303.08	5.75	-41.02
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658661	1	37	-1.0	-46.78	303.12	5.74	-41.04
CCC1=CNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658662	0	34	-1.0	-47.86	296.71	4.15	-43.71
CCC1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658662	1	34	-1.0	-47.84	296.75	4.15	-43.69
CC1=CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658663	0	37	-1.0	-44.90	304.93	5.65	-39.25
CC1=CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658663	1	37	-1.0	-44.88	304.98	5.64	-39.24
CC[C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL250004658664	0	41	-1.0	-45.42	314.59	5.50	-39.92
CC[C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL250004658664	1	41	-1.0	-45.42	314.63	5.50	-39.92
CC1=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL250004658665	0	33	-1.0	-47.20	300.52	5.26	-41.94
CC1=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL250004658665	1	33	-1.0	-47.21	300.56	5.26	-41.95
O=C(CC12CC(C1)C2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658666	0	34	-1.0	-47.15	285.35	5.29	-41.86
O=C(CC12CC(C1)C2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658666	1	34	-1.0	-47.14	285.40	5.28	-41.86
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=NC=N1	REAL250004658667	0	35	-1.0	-48.30	302.36	5.35	-42.95
CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=NC=N1	REAL250004658667	1	35	-1.0	-48.27	302.32	5.36	-42.91
C#CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004658668	0	36	-1.0	-44.64	303.04	3.82	-40.82
C#CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004658668	1	36	-1.0	-44.64	303.08	3.81	-40.83
O=C(CC1CC=CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658669	0	34	-1.0	-46.77	287.16	5.11	-41.66
O=C(CC1CC=CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658669	1	34	-1.0	-46.75	286.91	5.11	-41.64
O=C(CCCCCF)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658670	0	35	-1.0	-48.46	302.21	5.06	-43.40
O=C(CCCCCF)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658670	1	35	-1.0	-48.45	302.25	5.05	-43.40
CCN1N=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL250004658671	0	35	-1.0	-45.43	305.69	2.62	-42.81
CCN1N=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL250004658671	1	35	-1.0	-45.46	305.73	2.61	-42.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)CO1	REAL250004658672	0	30	-1.0	-50.15	269.92	2.14	-48.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)CO1	REAL250004658672	1	30	-1.0	-50.19	269.96	2.13	-48.06
CC1=NN=NN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658673	0	31	-1.0	-58.89	281.70	2.00	-56.89
CC1=NN=NN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658673	1	31	-1.0	-58.86	281.74	1.99	-56.87
CN1N=NC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658674	0	32	-1.0	-56.42	285.50	1.89	-54.53
CN1N=NC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658674	1	32	-1.0	-56.60	285.27	1.90	-54.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004658675	0	31	-1.0	-48.65	276.67	4.64	-44.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004658675	1	31	-1.0	-48.65	276.72	4.64	-44.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C(F)C=N1	REAL250004658676	0	28	-1.0	-45.97	265.78	2.45	-43.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(F)C=N1	REAL250004658676	1	28	-1.0	-45.90	265.74	2.46	-43.44
CC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004658677	0	31	-1.0	-54.79	283.44	1.62	-53.17
CC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004658677	1	31	-1.0	-54.80	283.48	1.61	-53.19
C#CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658678	0	32	-1.0	-49.06	293.75	6.10	-42.96
C#CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658678	1	32	-1.0	-49.06	293.79	6.09	-42.97
CCN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL250004658679	0	36	-1.0	-47.47	314.10	4.07	-43.40
CCN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL250004658679	1	36	-1.0	-47.46	314.14	4.06	-43.40
O=C(CC1CC2CC2C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658680	0	37	-1.0	-46.64	304.90	5.98	-40.66
O=C(CC1CC2CC2C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658680	1	37	-1.0	-46.67	304.95	5.97	-40.70
CCCN1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658681	0	37	-1.0	-45.63	313.70	5.98	-39.65
CCCN1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658681	1	37	-1.0	-45.63	313.75	5.97	-39.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCCOC1	REAL250004658682	0	32	-1.0	-45.63	273.75	2.74	-42.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCCOC1	REAL250004658682	1	32	-1.0	-45.63	273.80	2.73	-42.90
O=C(CC1CC2(CCC2)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658683	0	40	-1.0	-46.64	327.64	6.51	-40.13
O=C(CC1CC2(CCC2)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658683	1	40	-1.0	-46.65	327.68	6.50	-40.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CF)=C1	REAL250004658684	0	29	-1.0	-44.70	273.71	3.13	-41.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CF)=C1	REAL250004658684	1	29	-1.0	-44.66	273.76	3.12	-41.54
CN1C=C(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004658685	0	34	-1.0	-52.23	304.89	3.16	-49.07
CN1C=C(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004658685	1	34	-1.0	-52.26	304.85	3.17	-49.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(C1)OC2	REAL250004658686	0	35	-1.0	-46.45	291.02	2.99	-43.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C1)OC2	REAL250004658686	1	35	-1.0	-46.46	291.07	2.99	-43.47
CCC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658687	0	32	-1.0	-42.61	288.62	3.66	-38.95
CCC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658687	1	32	-1.0	-42.64	288.66	3.65	-38.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC(=O)O1	REAL250004658688	0	28	-1.0	-57.68	259.73	2.92	-54.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC(=O)O1	REAL250004658688	1	28	-1.0	-57.72	259.78	2.91	-54.81
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004658689	0	37	-1.0	-47.02	302.75	3.18	-43.84
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004658689	1	37	-1.0	-47.04	302.79	3.17	-43.87
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004658690	0	34	-1.0	-45.93	284.12	5.12	-40.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004658690	1	34	-1.0	-45.94	284.16	5.11	-40.83
CC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658691	0	32	-1.0	-45.47	285.21	3.84	-41.63
CC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658691	1	32	-1.0	-45.49	285.26	3.84	-41.65
CC1CCOC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658692	0	37	-1.0	-49.30	301.57	3.92	-45.38
CC1CCOC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658692	1	37	-1.0	-49.34	301.61	3.91	-45.43
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C	REAL250004658693	0	33	-1.0	-47.87	291.46	3.18	-44.69
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C	REAL250004658693	1	33	-1.0	-47.88	291.51	3.17	-44.71
C=C1CC2(C1)CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL250004658694	0	38	-1.0	-45.42	320.26	6.26	-39.16
C=C1CC2(C1)CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL250004658694	1	38	-1.0	-45.45	320.31	6.25	-39.20
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658695	0	31	-1.0	-47.68	293.91	2.79	-44.89
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658695	1	31	-1.0	-47.69	293.88	2.80	-44.89
O=C(CC12CCC(CC1)C2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658696	0	40	-1.0	-46.56	314.55	6.16	-40.40
O=C(CC12CCC(CC1)C2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658696	1	40	-1.0	-46.57	314.31	6.16	-40.41
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658697	0	31	-1.0	-46.99	275.26	3.28	-43.71
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658697	1	31	-1.0	-46.99	275.29	3.27	-43.72
CCCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658698	0	39	-1.0	-48.79	329.65	4.19	-44.60
CCCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658698	1	39	-1.0	-48.77	329.69	4.19	-44.58
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004658699	0	35	-1.0	-48.78	303.20	3.56	-45.22
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004658699	1	35	-1.0	-48.76	303.25	3.55	-45.21
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004658700	0	37	-1.0	-49.41	302.26	4.27	-45.14
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004658700	1	37	-1.0	-49.35	302.31	4.26	-45.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2C3CC1C(=O)C32	REAL250004658701	0	34	-1.0	-54.55	292.67	4.65	-49.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2C3CC1C(=O)C32	REAL250004658701	1	34	-1.0	-55.08	292.43	4.66	-50.42
COCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL250004658702	0	35	-1.0	-47.63	308.08	2.39	-45.24
COCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL250004658702	1	35	-1.0	-47.64	308.13	2.39	-45.25
O=C(CC1CC2(CC2)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658703	0	37	-1.0	-46.91	311.32	6.05	-40.86
O=C(CC1CC2(CC2)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658703	1	37	-1.0	-46.90	311.37	6.04	-40.86
CC1=NN(C)C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658704	0	36	-1.0	-53.34	313.34	3.66	-49.68
CC1=NN(C)C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658704	1	36	-1.0	-53.36	313.38	3.65	-49.71
CCC(C)CC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658705	0	41	-1.0	-45.50	325.91	5.82	-39.68
CCC(C)CC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658705	1	41	-1.0	-45.50	325.96	5.81	-39.69
CC1(C)CC2(CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658706	0	40	-1.0	-45.62	329.54	6.40	-39.22
CC1(C)CC2(CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658706	1	40	-1.0	-45.62	329.58	6.39	-39.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC12CCC2	REAL250004658707	0	40	-1.0	-45.95	318.16	6.15	-39.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC12CCC2	REAL250004658707	1	40	-1.0	-45.93	318.20	6.14	-39.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC1(F)F	REAL250004658708	0	27	-1.0	-46.51	254.36	3.53	-42.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC1(F)F	REAL250004658708	1	27	-1.0	-46.47	254.40	3.52	-42.95
CC12CC(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CO2	REAL250004658709	0	38	-1.0	-50.60	313.74	3.78	-46.82
CC12CC(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CO2	REAL250004658709	1	38	-1.0	-50.63	313.79	3.77	-46.86
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004658710	0	34	-1.0	-45.52	291.03	5.21	-40.31
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004658710	1	34	-1.0	-45.50	291.07	5.20	-40.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC(=O)O1	REAL250004658711	0	30	-1.0	-58.70	269.18	3.76	-54.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC(=O)O1	REAL250004658711	1	30	-1.0	-58.32	269.51	3.76	-54.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCC1	REAL250004658712	0	33	-1.0	-45.83	282.92	4.65	-41.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCC1	REAL250004658712	1	33	-1.0	-45.88	282.96	4.65	-41.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCOC1	REAL250004658713	0	34	-1.0	-46.37	288.64	2.65	-43.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCOC1	REAL250004658713	1	34	-1.0	-46.36	288.69	2.64	-43.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CCC2)CO1	REAL250004658714	0	38	-1.0	-49.12	313.88	4.83	-44.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)CO1	REAL250004658714	1	38	-1.0	-49.17	313.93	4.82	-44.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(C1)OC2	REAL250004658715	0	32	-1.0	-45.12	275.35	2.37	-42.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)OC2	REAL250004658715	1	32	-1.0	-45.14	275.40	2.37	-42.77
COC1=CN=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658716	0	32	-1.0	-45.14	288.60	1.33	-43.81
COC1=CN=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658716	1	32	-1.0	-45.18	288.56	1.33	-43.85
C[C@H]1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H]1C	REAL250004658717	0	33	-1.0	-44.70	271.85	4.54	-40.16
C[C@H]1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H]1C	REAL250004658717	1	33	-1.0	-44.70	271.89	4.53	-40.17
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658718	0	33	-1.0	-44.58	295.11	4.90	-39.68
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658718	1	33	-1.0	-44.58	295.16	4.90	-39.68
COC1(C#N)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658719	0	35	-1.0	-49.73	308.50	2.97	-46.76
COC1(C#N)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658719	1	35	-1.0	-49.73	308.53	2.95	-46.78
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658720	0	34	-1.0	-49.19	283.10	2.59	-46.60
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658720	1	34	-1.0	-49.18	283.14	2.59	-46.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC(=O)C1	REAL250004658721	0	38	-1.0	-45.99	306.33	4.69	-41.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC(=O)C1	REAL250004658721	1	38	-1.0	-46.02	306.37	4.68	-41.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CCC2)O1	REAL250004658722	0	38	-1.0	-50.00	315.00	5.09	-44.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCC2)O1	REAL250004658722	1	38	-1.0	-49.94	315.04	5.08	-44.86
CC1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004658723	0	42	-1.0	-44.43	323.54	6.20	-38.23
CC1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658723	1	42	-1.0	-44.45	323.59	6.19	-38.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCC2=C1	REAL250004658724	0	34	-1.0	-47.36	294.19	6.25	-41.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCC2=C1	REAL250004658724	1	34	-1.0	-47.40	294.24	6.27	-41.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC1(F)F	REAL250004658725	0	27	-1.0	-49.10	253.13	3.56	-45.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC1(F)F	REAL250004658725	1	27	-1.0	-49.10	253.18	3.55	-45.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004658726	0	30	-1.0	-50.83	264.78	4.29	-46.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004658726	1	30	-1.0	-50.90	264.83	4.28	-46.62
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(=O)C1	REAL250004658727	0	30	-1.0	-46.49	279.30	3.13	-43.36
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(=O)C1	REAL250004658727	1	30	-1.0	-46.48	279.34	3.12	-43.36
CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CCO2	REAL250004658728	0	38	-1.0	-45.42	307.95	3.70	-41.72
CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CCO2	REAL250004658728	1	38	-1.0	-45.41	307.99	3.69	-41.72
CC(C)(C#N)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658729	0	36	-1.0	-53.76	306.85	4.67	-49.09
CC(C)(C#N)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658729	1	36	-1.0	-53.75	306.89	4.66	-49.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(C2CCC2)C1	REAL250004658730	0	40	-1.0	-46.15	326.11	6.53	-39.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2CCC2)C1	REAL250004658730	1	40	-1.0	-46.11	325.89	6.53	-39.58
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CCCC1	REAL250004658731	0	37	-1.0	-44.92	300.36	5.52	-39.40
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CCCC1	REAL250004658731	1	37	-1.0	-44.89	300.40	5.51	-39.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1	REAL250004658732	0	37	-1.0	-46.35	301.28	5.84	-40.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1	REAL250004658732	1	37	-1.0	-46.25	301.32	5.83	-40.42
CC(C)(F)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658733	0	35	-1.0	-45.80	296.34	4.68	-41.12
CC(C)(F)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658733	1	35	-1.0	-45.78	296.38	4.67	-41.11
CCC1=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004658734	0	35	-1.0	-43.40	305.51	4.40	-39.00
CCC1=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004658734	1	35	-1.0	-43.39	305.55	4.39	-39.00
O=C(CN1C=NC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658735	0	29	-1.0	-56.89	266.14	4.44	-52.45
O=C(CN1C=NC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658735	1	29	-1.0	-56.80	266.10	4.45	-52.35
COCC(C)(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658736	0	37	-1.0	-47.52	307.93	1.42	-46.10
COCC(C)(O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658736	1	37	-1.0	-47.53	307.97	1.41	-46.12
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL250004658737	0	33	-1.0	-45.05	296.18	5.37	-39.68
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL250004658737	1	33	-1.0	-45.02	296.23	5.37	-39.65
CCC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004658739	0	35	-1.0	-45.36	306.70	4.60	-40.76
CCC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004658739	1	35	-1.0	-45.33	306.74	4.59	-40.74
CC(C)(CCC#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658740	0	36	-1.0	-53.54	304.38	4.82	-48.72
CC(C)(CCC#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658740	1	36	-1.0	-53.54	304.42	4.81	-48.73
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658741	0	35	-1.0	-44.51	292.93	4.49	-40.02
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658741	1	35	-1.0	-44.79	293.22	4.47	-40.32
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CC2C1	REAL250004658742	0	35	-1.0	-44.76	298.36	5.00	-39.76
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CC2C1	REAL250004658742	1	35	-1.0	-44.07	298.10	5.00	-39.07
C#CCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658743	0	29	-1.0	-52.23	271.20	3.37	-48.86
C#CCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658743	1	29	-1.0	-52.31	271.23	3.36	-48.95
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658744	0	29	-1.0	-49.05	264.50	4.53	-44.52
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658744	1	29	-1.0	-49.01	264.55	4.52	-44.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N1	REAL250004658745	0	28	-1.0	-53.36	255.99	-0.96	-54.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC(=O)N1	REAL250004658745	1	28	-1.0	-53.37	256.03	-0.96	-54.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL250004658746	0	35	-1.0	-54.32	299.07	1.66	-52.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL250004658746	1	35	-1.0	-54.77	298.83	1.67	-53.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC(Cl)=C1	REAL250004658747	0	27	-1.0	-47.71	266.68	3.51	-44.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC(Cl)=C1	REAL250004658747	1	27	-1.0	-47.74	266.72	3.50	-44.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2C3CC1CC32	REAL250004658748	0	35	-1.0	-46.70	288.67	5.52	-41.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2C3CC1CC32	REAL250004658748	1	35	-1.0	-46.46	288.44	5.52	-40.94
O=C(CC1=CN=NS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658749	0	28	-1.0	-52.60	269.89	2.23	-50.37
O=C(CC1=CN=NS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658749	1	28	-1.0	-52.57	269.94	2.22	-50.35
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1OCCO1	REAL250004658750	0	41	-1.0	-47.77	316.35	4.07	-43.70
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1OCCO1	REAL250004658750	1	41	-1.0	-47.78	316.41	4.09	-43.69
O=C(CCCC1=N[N-]N=N1)N1CCC(C2OCCO2)CC1	REAL250004658751	0	41	-1.0	-48.53	322.90	3.22	-45.31
O=C(CCCC1=NN=N[N-]1)N1CCC(C2OCCO2)CC1	REAL250004658751	1	41	-1.0	-48.55	322.96	3.24	-45.31
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004658753	0	40	-1.0	-50.88	326.61	5.00	-45.88
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004658753	1	40	-1.0	-50.92	326.67	5.02	-45.90
CCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658754	0	41	-1.0	-46.49	305.30	4.99	-41.50
CCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658754	1	41	-1.0	-46.47	305.36	5.01	-41.46
CCN(CC1CCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004658755	0	39	-1.0	-48.08	308.79	3.53	-44.55
CCN(CC1CCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004658755	1	39	-1.0	-48.04	308.85	3.55	-44.49
CCN1N=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004658756	0	38	-1.0	-52.30	324.02	4.18	-48.12
CCN1N=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004658756	1	38	-1.0	-52.33	323.97	4.17	-48.16
CC1(C)CN(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004658757	0	44	-1.0	-47.67	343.49	0.46	-47.21
CC1(C)CN(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004658757	1	44	-1.0	-47.70	343.55	0.47	-47.23
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(F)C=CC=C21	REAL250004658758	0	36	-1.0	-47.32	308.42	4.79	-42.53
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(F)C=CC=C21	REAL250004658758	1	36	-1.0	-47.31	308.48	4.80	-42.51
O=C(CCCC1=NN=N[N-]1)NC1=CN(C(F)F)N=C1	REAL250004658759	0	29	-1.0	-48.58	268.65	1.31	-47.27
O=C(CCCC1=N[N-]N=N1)NC1=CN(C(F)F)N=C1	REAL250004658759	1	29	-1.0	-48.58	268.59	1.29	-47.29
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCCC2C1	REAL250004658760	1	41	-1.0	-46.90	314.30	2.89	-44.01
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCCC2C1	REAL250004658760	1	41	-1.0	-46.94	314.35	2.90	-44.04
O=C(CCCC1=N[N-]N=N1)N1CCN2CCCCC2C1	REAL250004658760	1	41	-1.0	-46.90	314.30	2.89	-44.01
O=C(CCCC1=NN=N[N-]1)N1CCN2CCCCC2C1	REAL250004658760	1	41	-1.0	-46.94	314.35	2.90	-44.04
CC1=CC=CC=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658761	0	42	-1.0	-48.19	336.75	6.83	-41.36
CC1=CC=CC=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658761	1	42	-1.0	-48.22	336.80	6.85	-41.37
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004658762	0	37	-1.0	-48.84	319.34	0.62	-48.22
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004658762	1	37	-1.0	-48.87	319.40	0.63	-48.24
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004658763	0	36	-1.0	-48.79	307.58	1.45	-47.34
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004658763	1	36	-1.0	-48.80	307.64	1.46	-47.34
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1CCCC1	REAL250004658764	0	39	-1.0	-46.34	319.70	2.55	-43.79
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1CCCC1	REAL250004658764	1	39	-1.0	-46.35	319.76	2.57	-43.78
O=C(CCCC1=N[N-]N=N1)N1CCCSCC1	REAL250004658765	0	33	-1.0	-48.26	274.13	4.29	-43.97
O=C(CCCC1=NN=N[N-]1)N1CCCSCC1	REAL250004658765	1	33	-1.0	-48.29	274.18	4.31	-43.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCSCC1	REAL250004658766	0	33	-1.0	-35.63	278.65	4.92	-30.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCSCC1	REAL250004658766	1	33	-1.0	-35.59	278.72	4.95	-30.64
CC(COC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004658767	0	39	-1.0	-46.48	327.93	3.98	-42.50
CC(COC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004658767	1	39	-1.0	-46.51	327.99	3.99	-42.52
O=C(CCCC1=NN=N[N-]1)NCCCNC1=NC=CC=N1	REAL250004658768	0	38	-1.0	-52.07	327.41	2.96	-49.11
O=C(CCCC1=N[N-]N=N1)NCCCNC1=NC=CC=N1	REAL250004658768	1	38	-1.0	-52.08	327.35	2.94	-49.14
O=C(CCCC1=N[N-]N=N1)NCCC1CC2CCC1C2	REAL250004658769	0	42	-1.0	-46.65	325.79	4.79	-41.86
O=C(CCCC1=NN=N[N-]1)NCCC1CC2CCC1C2	REAL250004658769	1	42	-1.0	-46.67	325.85	4.80	-41.87
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=CC=C2C1	REAL250004658770	0	37	-1.0	-48.45	304.03	4.73	-43.72
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=CC=C2C1	REAL250004658770	1	37	-1.0	-48.47	304.09	4.74	-43.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2N=CSC2=C1	REAL250004658771	0	31	-1.0	-51.66	284.96	2.83	-48.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2N=CSC2=C1	REAL250004658771	1	31	-1.0	-51.65	284.90	2.82	-48.83
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NNC=C2)C1	REAL250004658772	0	39	-1.0	-54.59	315.46	3.46	-51.13
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NNC=C2)C1	REAL250004658772	1	39	-1.0	-54.60	315.52	3.48	-51.12
CC(CN1CCCC1=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004658773	0	39	-1.0	-57.20	320.76	2.73	-54.47
CC(CN1CCCC1=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004658773	1	39	-1.0	-57.20	320.82	2.75	-54.45
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004658775	0	38	-1.0	-48.41	322.58	4.88	-43.53
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004658775	1	38	-1.0	-48.42	322.63	4.90	-43.52
CC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004658776	0	41	-1.0	-46.04	318.16	4.34	-41.70
CC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004658776	1	41	-1.0	-46.06	318.22	4.35	-41.71
CC1=CC=CC=C1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004658777	0	41	-1.0	-48.72	336.14	5.59	-43.13
CC1=CC=CC=C1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004658777	1	41	-1.0	-48.72	336.20	5.61	-43.11
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004658778	0	42	-1.0	-48.53	352.62	7.88	-40.65
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004658778	1	42	-1.0	-48.57	352.68	7.90	-40.67
CC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658779	0	34	-1.0	-35.69	281.37	4.28	-31.41
CC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658779	1	34	-1.0	-35.64	281.44	4.31	-31.33
CCC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004658780	0	41	-1.0	-47.68	336.28	5.51	-42.17
CCC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004658780	1	41	-1.0	-47.71	336.34	5.52	-42.19
COC1=CC(C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004658781	0	36	-1.0	-47.89	302.41	3.46	-44.43
COC1=CC(C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004658781	1	36	-1.0	-47.93	302.47	3.47	-44.46
O=C(CCCC1=N[N-]N=N1)NCCN1C=NC2=CC=CC=C21	REAL250004658782	0	38	-1.0	-55.19	327.93	5.06	-50.13
O=C(CCCC1=NN=N[N-]1)NCCN1C=NC2=CC=CC=C21	REAL250004658782	1	38	-1.0	-55.17	327.99	5.07	-50.10
CC(C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004658783	0	38	-1.0	-47.97	315.64	3.41	-44.56
CC(C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004658783	1	38	-1.0	-47.98	315.69	3.42	-44.56
CCCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658784	0	37	-1.0	-35.25	306.36	3.41	-31.84
CCCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658784	1	37	-1.0	-35.24	306.42	3.42	-31.82
CCC(C)NC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004658785	0	41	-1.0	-47.30	338.96	1.57	-45.73
CCC(C)NC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004658785	1	41	-1.0	-47.32	339.02	1.59	-45.73
CN(CCC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004658786	0	44	-1.0	-47.62	339.46	6.53	-41.09
CN(CCC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004658786	1	44	-1.0	-47.61	339.52	6.54	-41.07
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C(Cl)=C1	REAL250004658787	0	32	-1.0	-46.44	301.68	4.04	-42.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C(Cl)=C1	REAL250004658787	1	32	-1.0	-46.37	301.74	4.05	-42.32
CCS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658788	0	36	-1.0	-56.09	319.18	-2.49	-58.58
CCS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658788	1	36	-1.0	-56.09	319.24	-2.48	-58.57
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004658789	0	44	-1.0	-45.41	329.47	5.38	-40.03
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004658789	1	44	-1.0	-45.40	329.53	5.39	-40.01
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2OCCC2=C1	REAL250004658790	0	37	-1.0	-47.52	314.97	3.32	-44.20
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2OCCC2=C1	REAL250004658790	1	37	-1.0	-47.51	315.03	3.34	-44.17
CC(C)(O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658791	0	44	-1.0	-47.10	340.13	1.07	-46.03
CC(C)(O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658791	1	44	-1.0	-47.10	340.19	1.08	-46.02
CC(C)(O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658791	1	44	-1.0	-47.10	340.13	1.07	-46.03
CC(C)(O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658791	1	44	-1.0	-47.10	340.19	1.08	-46.02
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CN=C1	REAL250004658792	0	35	-1.0	-48.46	307.18	0.11	-48.35
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CN=C1	REAL250004658792	1	35	-1.0	-48.39	307.12	0.10	-48.29
O=C(CCCC1=N[N-]N=N1)NCC(=O)OCC1CC1	REAL250004658793	0	35	-1.0	-44.96	306.04	3.08	-41.88
O=C(CCCC1=NN=N[N-]1)NCC(=O)OCC1CC1	REAL250004658793	1	35	-1.0	-44.98	306.09	3.09	-41.89
COCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658794	0	36	-1.0	-48.74	310.30	2.01	-46.73
COCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658794	1	36	-1.0	-48.72	310.25	1.99	-46.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2SC=NC2=C1	REAL250004658795	0	31	-1.0	-48.42	284.28	2.76	-45.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2SC=NC2=C1	REAL250004658795	1	31	-1.0	-48.39	284.22	2.75	-45.64
COC(=O)N1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658796	0	40	-1.0	-56.38	320.22	3.48	-52.90
COC(=O)N1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658796	1	40	-1.0	-56.43	320.28	3.49	-52.94
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL250004658797	0	41	-1.0	-46.12	331.82	5.61	-40.51
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL250004658797	1	41	-1.0	-46.12	331.88	5.62	-40.50
CN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004658802	0	36	-1.0	-47.24	292.24	2.98	-44.26
CN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004658802	1	36	-1.0	-47.25	292.30	2.99	-44.26
CN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658803	0	36	-1.0	-39.30	299.72	3.60	-35.70
CN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658803	1	36	-1.0	-39.31	299.78	3.62	-35.69
CC1CN(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004658804	0	41	-1.0	-48.04	328.69	-0.31	-48.35
CC1CN(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004658804	1	41	-1.0	-48.04	328.75	-0.30	-48.34
CC(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658805	0	37	-1.0	-34.82	311.83	3.10	-31.72
CC(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658805	1	37	-1.0	-34.82	311.89	3.11	-31.71
COCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658806	0	35	-1.0	-35.74	304.69	1.09	-34.65
COCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658806	1	35	-1.0	-35.73	304.76	1.11	-34.62
O=C(CCCC1=N[N-]N=N1)NC1CCCCC2=CC=CC=C21	REAL250004658807	0	42	-1.0	-48.38	332.05	6.29	-42.09
O=C(CCCC1=NN=N[N-]1)NC1CCCCC2=CC=CC=C21	REAL250004658807	1	42	-1.0	-48.33	332.11	6.31	-42.02
CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004658808	0	38	-1.0	-48.36	321.99	4.91	-43.45
CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004658808	1	38	-1.0	-48.39	322.05	4.93	-43.46
CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004658809	0	38	-1.0	-48.36	321.99	4.91	-43.45
CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004658809	1	38	-1.0	-48.39	322.05	4.93	-43.46
O=C(CCCC1=N[N-]N=N1)NCC1CCOCC1	REAL250004658810	0	36	-1.0	-47.72	292.28	1.47	-46.25
O=C(CCCC1=NN=N[N-]1)NCC1CCOCC1	REAL250004658810	1	36	-1.0	-47.73	292.33	1.49	-46.24
O=C(NCC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658811	0	36	-1.0	-35.87	302.86	1.26	-34.61
O=C(NCC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658811	1	36	-1.0	-35.85	302.94	1.27	-34.58
CC1=CN(CCCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004658812	0	38	-1.0	-49.35	325.00	2.91	-46.44
CC1=CN(CCCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004658812	1	38	-1.0	-49.38	324.95	2.90	-46.48
CCOCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004658813	0	39	-1.0	-48.14	330.21	4.05	-44.09
CCOCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004658813	1	39	-1.0	-48.17	330.27	4.06	-44.11
CC1=CC=CC=C1C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658814	0	42	-1.0	-46.10	343.59	5.97	-40.13
CC1=CC=CC=C1C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658814	1	42	-1.0	-46.11	343.65	5.98	-40.13
O=C(CCCC1=N[N-]N=N1)NC1CCSCC1	REAL250004658816	0	33	-1.0	-46.65	281.51	2.84	-43.81
O=C(CCCC1=NN=N[N-]1)NC1CCSCC1	REAL250004658816	1	33	-1.0	-46.69	281.57	2.85	-43.84
O=C(NC1CCSCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658817	0	33	-1.0	-35.17	292.10	2.65	-32.52
O=C(NC1CCSCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658817	1	33	-1.0	-35.11	292.17	2.65	-32.46
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658818	0	38	-1.0	-46.48	291.16	4.50	-41.98
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658818	1	38	-1.0	-46.48	291.22	4.52	-41.96
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004658819	0	38	-1.0	-34.85	298.85	4.76	-30.09
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004658819	1	38	-1.0	-34.84	298.92	4.76	-30.08
CCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658820	0	39	-1.0	-53.49	312.52	3.30	-50.19
CCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658820	1	39	-1.0	-53.52	312.58	3.31	-50.21
CC1=CSC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658821	0	37	-1.0	-48.76	328.67	2.73	-46.03
CC1=CSC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658821	1	37	-1.0	-48.77	328.73	2.75	-46.02
CN1C=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL250004658822	0	36	-1.0	-51.13	306.27	5.13	-46.00
CN1C=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL250004658822	1	36	-1.0	-51.18	306.33	5.14	-46.04
CCC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004658823	0	37	-1.0	-51.40	328.32	2.72	-48.68
CCC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004658823	1	37	-1.0	-51.40	328.38	2.73	-48.67
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658824	0	37	-1.0	-35.59	294.55	4.84	-30.75
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658824	1	37	-1.0	-35.55	294.61	4.84	-30.71
COCCOCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658825	0	42	-1.0	-50.76	351.32	1.30	-49.46
COCCOCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658825	1	42	-1.0	-50.80	351.38	1.32	-49.48
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=N1	REAL250004658826	0	28	-1.0	-49.91	266.12	3.57	-46.34
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=N1	REAL250004658826	1	28	-1.0	-49.88	266.06	3.56	-46.32
CCN(CC1=COC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004658828	0	35	-1.0	-47.84	297.89	4.49	-43.35
CCN(CC1=COC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004658828	1	35	-1.0	-47.85	297.95	4.51	-43.34
CCN(CC1=COC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658829	0	35	-1.0	-38.45	303.92	5.29	-33.16
CCN(CC1=COC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658829	1	35	-1.0	-38.40	303.99	5.30	-33.10
COC(=O)N1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004658830	0	40	-1.0	-58.13	329.32	1.82	-56.31
COC(=O)N1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004658830	1	40	-1.0	-58.15	329.38	1.84	-56.31
CN1C=C(CCCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004658832	0	38	-1.0	-50.75	324.95	2.83	-47.92
CN1C=C(CCCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004658832	1	38	-1.0	-50.73	324.90	2.81	-47.92
COC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004658833	0	32	-1.0	-52.65	277.85	2.48	-50.17
COC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004658833	1	32	-1.0	-52.61	277.80	2.47	-50.14
COC1=CC=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658834	0	32	-1.0	-41.35	288.43	2.27	-39.08
COC1=CC=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658834	1	32	-1.0	-41.38	288.36	2.26	-39.12
O=C(CCCC1=N[N-]N=N1)NC1=C2C=CNC2=CC=C1	REAL250004658835	0	33	-1.0	-50.83	283.84	3.41	-47.42
O=C(CCCC1=NN=N[N-]1)NC1=C2C=CNC2=CC=C1	REAL250004658835	1	33	-1.0	-50.85	283.90	3.43	-47.42
CCN1N=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004658837	0	41	-1.0	-48.69	342.79	3.11	-45.58
CCN1N=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004658837	1	41	-1.0	-48.67	342.85	3.13	-45.54
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(COCC2)S1	REAL250004658838	0	33	-1.0	-46.38	292.12	1.70	-44.68
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(COCC2)S1	REAL250004658838	1	33	-1.0	-46.35	292.17	1.72	-44.63
O=C(CCCC1=N[N-]N=N1)NCCC1=CC(F)=CC(F)=C1	REAL250004658839	0	35	-1.0	-49.01	313.41	4.38	-44.63
O=C(CCCC1=NN=N[N-]1)NCCC1=CC(F)=CC(F)=C1	REAL250004658839	1	35	-1.0	-49.00	313.47	4.40	-44.60
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)CC1	REAL250004658840	0	40	-1.0	-49.53	322.40	4.02	-45.51
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)CC1	REAL250004658840	1	40	-1.0	-49.59	322.46	4.03	-45.56
CC(C)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658841	0	41	-1.0	-48.21	319.25	5.56	-42.65
CC(C)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658841	1	41	-1.0	-48.24	319.30	5.57	-42.67
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2OCCO2)C1	REAL250004658842	0	41	-1.0	-48.50	323.16	3.17	-45.33
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2OCCO2)C1	REAL250004658842	1	41	-1.0	-48.51	323.21	3.19	-45.32
CC1=NNC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658844	0	38	-1.0	-50.20	322.66	2.05	-48.15
CC1=NNC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658844	1	38	-1.0	-50.23	322.71	2.07	-48.16
CCCCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004658845	0	38	-1.0	-46.90	304.20	5.42	-41.48
CCCCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004658845	1	38	-1.0	-46.90	304.26	5.43	-41.47
CCCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004658846	0	38	-1.0	-35.77	310.07	6.26	-29.51
CCCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004658846	1	38	-1.0	-35.75	310.13	6.28	-29.47
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004658847	0	36	-1.0	-47.30	285.91	3.46	-43.84
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004658847	1	36	-1.0	-47.31	285.97	3.48	-43.83
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL250004658848	0	36	-1.0	-35.39	291.70	3.99	-31.40
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL250004658848	1	36	-1.0	-35.36	291.77	4.01	-31.35
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCCC1	REAL250004658849	0	42	-1.0	-45.77	328.09	1.34	-44.43
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCCC1	REAL250004658849	1	42	-1.0	-45.75	328.15	1.35	-44.40
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NC=CN2)C1	REAL250004658850	0	39	-1.0	-55.83	315.41	3.83	-52.00
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NC=CN2)C1	REAL250004658850	1	39	-1.0	-55.86	315.46	3.85	-52.01
CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004658851	0	41	-1.0	-48.11	332.71	5.85	-42.26
CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004658851	1	41	-1.0	-48.14	332.76	5.87	-42.27
N#CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004658852	0	30	-1.0	-53.52	279.77	3.79	-49.73
N#CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004658852	1	30	-1.0	-53.56	279.82	3.80	-49.76
COC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658855	0	38	-1.0	-51.51	311.34	4.20	-47.31
COC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658855	1	38	-1.0	-51.56	311.40	4.21	-47.35
COC(=O)[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658856	0	38	-1.0	-51.59	311.39	4.21	-47.38
COC(=O)[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658856	1	38	-1.0	-51.55	311.44	4.22	-47.33
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCC1	REAL250004658857	0	39	-1.0	-47.52	304.45	5.53	-41.99
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCC1	REAL250004658857	1	39	-1.0	-47.53	304.51	5.54	-41.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1CCC1	REAL250004658858	0	39	-1.0	-36.45	311.79	5.80	-30.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1CCC1	REAL250004658858	1	39	-1.0	-36.41	311.85	5.80	-30.61
NC(=O)CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658860	0	42	-1.0	-54.61	333.59	1.69	-52.92
NC(=O)CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658860	1	42	-1.0	-54.65	333.65	1.71	-52.94
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004658862	0	36	-1.0	-52.31	312.36	0.53	-51.78
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004658862	1	36	-1.0	-52.31	312.41	0.55	-51.76
CN(CCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004658863	0	34	-1.0	-57.15	300.90	0.11	-57.04
CN(CCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004658863	1	34	-1.0	-57.17	300.96	0.13	-57.04
CC1=NN2CC(NC(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004658864	0	38	-1.0	-54.85	317.60	2.81	-52.04
CC1=NN2CC(NC(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004658864	1	38	-1.0	-54.87	317.65	2.82	-52.05
CC(C)CCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004658865	0	47	-1.0	-46.24	359.79	6.38	-39.86
CC(C)CCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004658865	1	47	-1.0	-46.24	359.85	6.39	-39.85
O=C(CCCC1=NN=N[N-]1)NC1=NC=CC=C1OC(F)F	REAL250004658866	0	32	-1.0	-52.79	287.60	2.76	-50.03
O=C(CCCC1=N[N-]N=N1)NC1=NC=CC=C1OC(F)F	REAL250004658866	1	32	-1.0	-52.84	287.54	2.74	-50.10
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL250004658867	0	38	-1.0	-47.72	324.83	3.10	-44.62
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL250004658867	1	38	-1.0	-47.73	324.89	3.12	-44.61
CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658869	0	34	-1.0	-60.61	304.27	-1.11	-61.72
CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658869	1	34	-1.0	-60.63	304.33	-1.10	-61.73
CN(CCN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004658870	0	41	-1.0	-48.77	325.61	1.07	-47.70
CN(CCN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004658870	1	41	-1.0	-48.77	325.66	1.08	-47.69
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004658871	0	41	-1.0	-47.66	329.81	6.75	-40.91
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004658871	1	41	-1.0	-47.68	329.87	6.76	-40.92
COC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658872	0	35	-1.0	-55.56	309.89	3.16	-52.40
COC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658872	1	35	-1.0	-55.55	309.84	3.15	-52.40
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004658873	0	35	-1.0	-47.49	309.29	5.49	-42.00
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004658873	1	35	-1.0	-47.52	309.35	5.51	-42.01
CSCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004658874	0	36	-1.0	-48.83	319.12	5.25	-43.58
CSCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004658874	1	36	-1.0	-48.83	319.18	5.26	-43.57
CC1=NN(C)C=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004658875	0	38	-1.0	-50.85	319.84	2.62	-48.23
CC1=NN(C)C=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004658875	1	38	-1.0	-50.87	319.90	2.63	-48.24
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004658876	0	36	-1.0	-48.61	301.28	3.54	-45.07
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004658876	1	36	-1.0	-48.61	301.34	3.56	-45.05
CCCCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004658877	0	44	-1.0	-46.28	342.22	5.86	-40.42
CCCCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004658877	1	44	-1.0	-46.30	342.28	5.88	-40.42
CC1=NC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C2C=C1	REAL250004658878	0	37	-1.0	-49.90	314.33	4.52	-45.38
CC1=NC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C2C=C1	REAL250004658878	1	37	-1.0	-49.92	314.38	4.54	-45.38
CC1=NOC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658879	0	36	-1.0	-49.97	313.66	0.62	-49.35
CC1=NOC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658879	1	36	-1.0	-49.97	313.71	0.64	-49.33
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCCCC1	REAL250004658880	0	39	-1.0	-46.50	315.86	2.08	-44.42
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCCCC1	REAL250004658880	1	39	-1.0	-46.55	315.92	2.10	-44.45
O=C(CCCC1=N[N-]N=N1)NCCCN1CCOC1=O	REAL250004658881	0	37	-1.0	-56.36	316.95	1.40	-54.96
O=C(CCCC1=NN=N[N-]1)NCCCN1CCOC1=O	REAL250004658881	1	37	-1.0	-56.40	317.01	1.41	-54.99
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)CC1	REAL250004658882	0	33	-1.0	-49.00	269.47	0.35	-48.65
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)CC1	REAL250004658882	1	33	-1.0	-49.01	269.53	0.37	-48.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCNC(=O)CC1	REAL250004658883	0	33	-1.0	-38.91	278.12	0.50	-38.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCNC(=O)CC1	REAL250004658883	1	33	-1.0	-38.95	278.18	0.52	-38.43
CC(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004658884	0	39	-1.0	-52.55	319.53	2.17	-50.38
CC(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004658884	1	39	-1.0	-52.58	319.59	2.18	-50.40
O=C(CCCC1=N[N-]N=N1)NC1=CN=C(C2CC2)N=C1	REAL250004658885	0	34	-1.0	-50.21	295.29	3.01	-47.20
O=C(CCCC1=NN=N[N-]1)NC1=CN=C(C2CC2)N=C1	REAL250004658885	1	34	-1.0	-50.19	295.34	3.02	-47.17
CC(C)(C)CC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004658886	0	38	-1.0	-45.72	309.70	1.82	-43.90
CC(C)(C)CC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004658886	1	38	-1.0	-45.77	309.75	1.84	-43.93
CCC(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004658887	0	38	-1.0	-49.10	313.52	4.26	-44.84
CCC(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004658887	1	38	-1.0	-49.06	313.46	4.24	-44.82
CC1=NOC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004658888	0	31	-1.0	-49.79	275.96	2.12	-47.67
CC1=NOC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004658888	1	31	-1.0	-49.78	276.02	2.14	-47.64
CC1=NOC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658889	0	31	-1.0	-36.35	278.66	1.91	-34.44
CC1=NOC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658889	1	31	-1.0	-36.32	278.68	1.93	-34.39
CNC(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004658891	0	35	-1.0	-53.02	296.88	0.88	-52.14
CNC(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004658891	1	35	-1.0	-53.03	296.94	0.89	-52.14
CNC(=O)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658892	0	35	-1.0	-40.36	304.57	1.26	-39.10
CNC(=O)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658892	1	35	-1.0	-40.37	304.64	1.29	-39.08
O=C(CCCC1=N[N-]N=N1)NCCCNC1=CC=CC=C1	REAL250004658893	0	40	-1.0	-48.44	335.70	3.17	-45.27
O=C(CCCC1=NN=N[N-]1)NCCCNC1=CC=CC=C1	REAL250004658893	1	40	-1.0	-48.41	335.76	3.19	-45.22
CN(C)CC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004658894	1	34	-1.0	-47.10	290.06	-1.72	-48.82
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)CC1	REAL250004658895	0	32	-1.0	-53.22	275.79	-0.25	-53.47
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)CC1	REAL250004658895	1	32	-1.0	-53.20	275.84	-0.23	-53.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1CC1	REAL250004658896	0	36	-1.0	-37.56	295.00	5.09	-32.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1CC1	REAL250004658896	1	36	-1.0	-37.56	295.07	5.10	-32.46
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004658897	0	32	-1.0	-47.59	279.99	4.06	-43.53
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004658897	1	32	-1.0	-47.62	280.05	4.07	-43.55
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL250004658898	0	32	-1.0	-35.02	290.66	3.86	-31.16
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL250004658898	1	32	-1.0	-35.03	290.59	3.85	-31.18
CN1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658900	0	29	-1.0	-36.32	264.09	1.80	-34.52
CN1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658900	1	29	-1.0	-36.41	264.02	1.79	-34.62
CC(C)C1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658901	0	39	-1.0	-52.76	308.77	1.92	-50.84
CC(C)C1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658901	1	39	-1.0	-52.75	308.83	1.94	-50.81
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(O)C=CC=C21	REAL250004658903	0	37	-1.0	-49.85	312.97	1.87	-47.98
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(O)C=CC=C21	REAL250004658903	1	37	-1.0	-49.82	313.03	1.88	-47.94
CC(C)(C)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658904	0	41	-1.0	-56.06	334.10	0.90	-55.16
CC(C)(C)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658904	1	41	-1.0	-56.09	334.16	0.91	-55.18
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=CC=C(F)C=C21	REAL250004658905	0	32	-1.0	-52.40	288.52	3.33	-49.07
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=CC=C(F)C=C21	REAL250004658905	1	32	-1.0	-52.43	288.58	3.34	-49.09
CN1C=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658906	0	32	-1.0	-39.28	290.19	1.60	-37.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658906	1	32	-1.0	-39.27	290.26	1.61	-37.66
COC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004658907	0	35	-1.0	-47.77	299.43	2.27	-45.50
COC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004658907	1	35	-1.0	-47.80	299.49	2.29	-45.51
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)OCCO2	REAL250004658908	0	35	-1.0	-50.15	289.98	1.61	-48.54
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)OCCO2	REAL250004658908	1	35	-1.0	-50.13	290.04	1.62	-48.51
CCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658909	0	42	-1.0	-55.41	335.90	2.62	-52.79
CCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658909	1	42	-1.0	-55.41	335.96	2.64	-52.77
CCCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004658910	0	44	-1.0	-46.37	336.26	5.80	-40.57
CCCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004658910	1	44	-1.0	-46.40	336.32	5.82	-40.58
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCCC1	REAL250004658911	0	36	-1.0	-47.28	302.23	1.34	-45.94
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCCC1	REAL250004658911	1	36	-1.0	-47.28	302.28	1.36	-45.92
CC1(C)COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658912	0	44	-1.0	-47.54	335.74	-0.24	-47.78
CC1(C)COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658912	1	44	-1.0	-47.48	335.80	-0.22	-47.70
CC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658913	0	33	-1.0	-51.60	268.18	0.28	-51.32
CC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658913	1	33	-1.0	-51.66	268.24	0.30	-51.36
CC1C(=O)NCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658914	0	33	-1.0	-39.87	281.23	0.65	-39.22
CC1C(=O)NCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658914	1	33	-1.0	-39.84	281.30	0.66	-39.18
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004658916	0	37	-1.0	-50.49	318.27	0.63	-49.86
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004658916	1	37	-1.0	-50.56	318.33	0.65	-49.91
O=C(CCCC1=N[N-]N=N1)NCCCC1=NC=CS1	REAL250004658917	0	34	-1.0	-48.60	306.87	2.14	-46.46
O=C(CCCC1=NN=N[N-]1)NCCCC1=NC=CS1	REAL250004658917	1	34	-1.0	-48.62	306.93	2.16	-46.46
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004658918	0	31	-1.0	-49.51	268.54	1.65	-47.86
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004658918	1	31	-1.0	-49.53	268.60	1.66	-47.87
N#CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004658919	0	31	-1.0	-36.13	276.14	1.89	-34.24
N#CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004658919	1	31	-1.0	-37.66	276.25	1.92	-35.74
CCCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004658920	0	41	-1.0	-48.11	331.75	4.22	-43.89
CCCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004658920	1	41	-1.0	-48.15	331.81	4.24	-43.91
O=C(NC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658921	0	33	-1.0	-36.29	282.96	0.58	-35.71
O=C(NC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658921	1	33	-1.0	-36.30	283.03	0.59	-35.71
CS(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658923	0	30	-1.0	-45.55	284.02	-1.18	-46.73
CS(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658923	1	30	-1.0	-45.50	284.09	-1.17	-46.67
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NNC=N2)C=C1	REAL250004658926	0	35	-1.0	-54.52	308.40	4.22	-50.30
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NNC=N2)C=C1	REAL250004658926	1	35	-1.0	-54.54	308.46	4.24	-50.30
CCNS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658927	0	36	-1.0	-57.28	319.18	-2.46	-59.74
CCNS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658927	1	36	-1.0	-57.29	319.24	-2.45	-59.74
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C1	REAL250004658928	0	33	-1.0	-47.58	281.88	5.01	-42.57
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C1	REAL250004658928	1	33	-1.0	-47.61	281.94	5.03	-42.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CC=CC=C2C1	REAL250004658929	0	33	-1.0	-36.35	288.96	5.13	-31.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=CC=C2C1	REAL250004658929	1	33	-1.0	-36.33	289.02	5.14	-31.19
CC1=NNC(=O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004658930	0	37	-1.0	-53.37	314.34	0.07	-53.30
CC1=NNC(=O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004658930	1	37	-1.0	-53.40	314.39	0.08	-53.32
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004658931	0	31	-1.0	-45.43	283.91	1.47	-43.96
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004658931	1	31	-1.0	-45.44	283.97	1.49	-43.95
CC(C)C1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658932	0	39	-1.0	-52.27	334.46	0.92	-51.35
CC(C)C1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658932	1	39	-1.0	-52.27	334.52	0.93	-51.34
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004658933	0	36	-1.0	-50.05	303.68	2.66	-47.39
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004658933	1	36	-1.0	-50.05	303.74	2.68	-47.37
CN(CCC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004658934	0	38	-1.0	-47.47	324.24	6.41	-41.06
CN(CCC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004658934	1	38	-1.0	-47.50	324.30	6.42	-41.08
CC(CC1=CC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL250004658935	0	35	-1.0	-48.73	310.73	4.30	-44.43
CC(CC1=CC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL250004658935	1	35	-1.0	-48.69	310.79	4.32	-44.37
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCOC1	REAL250004658936	0	40	-1.0	-48.84	330.73	0.70	-48.14
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCOC1	REAL250004658936	1	40	-1.0	-48.85	330.79	0.71	-48.14
O=C(CCCC1=N[N-]N=N1)N1CC(OC2=CC=CC=C2)C1	REAL250004658937	0	37	-1.0	-47.74	315.93	4.54	-43.20
O=C(CCCC1=NN=N[N-]1)N1CC(OC2=CC=CC=C2)C1	REAL250004658937	1	37	-1.0	-47.69	315.98	4.56	-43.13
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CC=C2N1	REAL250004658938	0	35	-1.0	-49.31	305.40	2.20	-47.11
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CC=C2N1	REAL250004658938	1	35	-1.0	-49.33	305.46	2.21	-47.12
O=C(CCCC1=NN=N[N-]1)NCCN1C=NC=N1	REAL250004658939	0	31	-1.0	-55.93	276.39	2.91	-53.02
O=C(CCCC1=N[N-]N=N1)NCCN1C=NC=N1	REAL250004658939	1	31	-1.0	-55.92	276.33	2.90	-53.02
O=C(NCCN1C=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658940	0	31	-1.0	-41.79	287.00	2.70	-39.09
O=C(NCCN1C=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658940	1	31	-1.0	-41.83	286.93	2.69	-39.14
CN(CC1=NC=CN1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658941	0	32	-1.0	-43.34	284.30	2.75	-40.59
CN(CC1=NC=CN1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658941	1	32	-1.0	-43.28	284.37	2.76	-40.52
CC1=CC=CN2C=C(CNC(=O)CCCC3=N[N-]N=N3)N=C12	REAL250004658942	0	38	-1.0	-52.64	327.28	4.57	-48.07
CC1=CC=CN2C=C(CNC(=O)CCCC3=NN=N[N-]3)N=C12	REAL250004658942	1	38	-1.0	-52.66	327.34	4.58	-48.08
O=C(NC1=CC=NC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658943	0	29	-1.0	-35.96	268.94	-1.37	-37.33
O=C(NC1=CC=NC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658943	1	29	-1.0	-35.93	269.00	-1.36	-37.29
CC1=CC(C)=NC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658944	0	39	-1.0	-52.55	333.92	2.65	-49.90
CC1=CC(C)=NC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658944	1	39	-1.0	-52.54	333.98	2.67	-49.87
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CC=C1F	REAL250004658945	0	36	-1.0	-50.81	315.21	3.16	-47.65
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CC=C1F	REAL250004658945	1	36	-1.0	-50.83	315.27	3.17	-47.66
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)CC1	REAL250004658948	0	31	-1.0	-58.55	266.50	0.81	-57.74
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)CC1	REAL250004658948	1	31	-1.0	-58.58	266.56	0.82	-57.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCS(=O)CC1	REAL250004658949	0	31	-1.0	-48.19	277.34	0.75	-47.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCS(=O)CC1	REAL250004658949	1	31	-1.0	-48.17	277.40	0.76	-47.41
CC1=C(C)SC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658950	0	31	-1.0	-46.17	278.13	2.81	-43.36
CC1=C(C)SC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658950	1	31	-1.0	-46.19	278.19	2.83	-43.36
CCN(CC)C(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658951	0	44	-1.0	-50.32	359.83	3.43	-46.89
CCN(CC)C(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658951	1	44	-1.0	-50.37	359.89	3.45	-46.92
CN(C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004658952	0	28	-1.0	-54.08	255.76	3.56	-50.52
CN(C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004658952	1	28	-1.0	-54.04	255.70	3.55	-50.49
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL250004658953	0	28	-1.0	-39.13	263.26	3.94	-35.19
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL250004658953	1	28	-1.0	-39.12	263.20	3.93	-35.19
CN(C)C1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004658954	0	40	-1.0	-47.46	337.71	2.54	-44.92
CN(C)C1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004658954	1	40	-1.0	-47.50	337.76	2.56	-44.94
CSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004658955	0	36	-1.0	-48.14	319.41	5.24	-42.90
CSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004658955	1	36	-1.0	-48.12	319.47	5.25	-42.87
O=C(CCCC1=N[N-]N=N1)NCC1CCCNC1=O	REAL250004658958	0	36	-1.0	-50.63	295.82	0.25	-50.38
O=C(CCCC1=NN=N[N-]1)NCC1CCCNC1=O	REAL250004658958	1	36	-1.0	-50.66	295.88	0.27	-50.39
CC(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658959	0	38	-1.0	-49.80	319.82	0.29	-49.51
CC(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658959	1	38	-1.0	-49.82	319.88	0.31	-49.51
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004658960	0	37	-1.0	-44.60	304.31	2.89	-41.71
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004658960	1	37	-1.0	-44.61	304.36	2.91	-41.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC2=CC=NN21	REAL250004658961	0	31	-1.0	-57.46	277.09	3.21	-54.25
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC2=CC=NN21	REAL250004658961	1	31	-1.0	-57.45	277.03	3.20	-54.25
CCC1=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004658962	0	35	-1.0	-54.18	297.02	2.92	-51.26
CCC1=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004658962	1	35	-1.0	-54.19	297.08	2.93	-51.26
CCC1=C(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004658963	0	35	-1.0	-40.54	307.59	2.71	-37.83
CCC1=C(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004658963	1	35	-1.0	-40.50	307.66	2.72	-37.78
C=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004658964	0	33	-1.0	-35.02	277.61	4.35	-30.67
C=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004658964	1	33	-1.0	-35.00	277.68	4.35	-30.65
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CC1	REAL250004658965	0	36	-1.0	-48.47	304.44	4.87	-43.60
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CC1	REAL250004658965	1	36	-1.0	-48.51	304.49	4.88	-43.63
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCCC2)C1	REAL250004658966	0	45	-1.0	-47.56	327.86	6.55	-41.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCCC2)C1	REAL250004658966	1	45	-1.0	-47.52	327.92	6.56	-40.96
CN1C=CC=C(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004658967	0	32	-1.0	-62.77	279.91	2.95	-59.82
CN1C=CC=C(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004658967	1	32	-1.0	-62.79	279.96	2.96	-59.83
CN1C=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004658968	0	32	-1.0	-50.20	289.72	3.06	-47.14
CN1C=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004658968	1	32	-1.0	-50.18	289.66	3.04	-47.14
CN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004658969	0	33	-1.0	-51.06	282.65	0.60	-50.46
CN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004658969	1	33	-1.0	-51.10	282.71	0.61	-50.49
CN1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004658970	0	33	-1.0	-40.10	292.85	0.38	-39.72
CN1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004658970	1	33	-1.0	-40.07	292.92	0.38	-39.69
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC(F)=C1	REAL250004658971	0	38	-1.0	-48.16	328.49	5.10	-43.06
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC(F)=C1	REAL250004658971	1	38	-1.0	-48.18	328.55	5.11	-43.07
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658972	0	30	-1.0	-46.29	270.65	-0.91	-47.20
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658972	1	30	-1.0	-46.28	270.71	-0.89	-47.17
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004658973	0	30	-1.0	-37.12	281.25	-1.13	-38.25
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004658973	1	30	-1.0	-37.14	281.32	-1.11	-38.25
COCCN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004658974	0	35	-1.0	-49.01	295.62	2.78	-46.23
COCCN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004658974	1	35	-1.0	-49.00	295.68	2.80	-46.20
CN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658975	0	28	-1.0	-39.03	254.43	3.21	-35.82
CN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658975	1	28	-1.0	-39.00	254.50	3.22	-35.78
N#CC1=CC=CC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004658976	0	34	-1.0	-49.56	312.73	2.58	-46.98
N#CC1=CC=CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004658976	1	34	-1.0	-49.58	312.79	2.60	-46.98
O=C(CCCC1=N[N-]N=N1)N1CCN2C=NN=C2C1	REAL250004658977	0	32	-1.0	-51.25	270.56	4.30	-46.95
O=C(CCCC1=NN=N[N-]1)N1CCN2C=NN=C2C1	REAL250004658977	1	32	-1.0	-51.27	270.62	4.32	-46.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=NN=C2C1	REAL250004658978	0	32	-1.0	-43.45	277.89	4.58	-38.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=NN=C2C1	REAL250004658978	1	32	-1.0	-43.42	277.96	4.58	-38.84
CC(O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658981	0	41	-1.0	-47.26	322.06	-0.68	-47.94
CC(O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658981	1	41	-1.0	-47.24	322.12	-0.66	-47.90
CCC(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658982	0	37	-1.0	-34.86	302.52	2.99	-31.87
CCC(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658982	1	37	-1.0	-34.80	302.59	2.99	-31.81
COC(=O)CSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658983	0	35	-1.0	-54.30	319.16	2.60	-51.70
COC(=O)CSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658983	1	35	-1.0	-54.33	319.22	2.61	-51.72
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004658985	0	33	-1.0	-46.25	277.72	4.11	-42.14
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004658985	1	33	-1.0	-46.27	277.78	4.13	-42.14
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCS1	REAL250004658986	0	33	-1.0	-35.48	288.63	4.07	-31.41
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCS1	REAL250004658986	1	33	-1.0	-35.44	288.70	4.07	-31.37
CC(C)CC(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004658987	0	46	-1.0	-47.04	355.77	5.45	-41.59
CC(C)CC(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004658987	1	46	-1.0	-47.07	355.83	5.47	-41.60
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004658988	0	40	-1.0	-46.23	335.29	4.18	-42.05
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004658988	1	40	-1.0	-46.26	335.34	4.19	-42.07
CN1C(=S)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004658989	0	32	-1.0	-50.42	294.75	2.43	-47.99
CN1C(=S)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004658989	1	32	-1.0	-50.45	294.80	2.45	-48.00
CC1=NOC(C)=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658990	0	37	-1.0	-51.64	317.71	3.02	-48.62
CC1=NOC(C)=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658990	1	37	-1.0	-51.62	317.77	3.03	-48.59
CCCOC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658991	0	37	-1.0	-52.97	317.99	2.95	-50.02
CCCOC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658991	1	37	-1.0	-52.96	318.05	2.96	-50.00
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004658992	0	33	-1.0	-56.69	295.35	3.79	-52.90
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1[N+](=O)[O-]	REAL250004658992	1	33	-1.0	-56.70	295.41	3.80	-52.90
N#CCN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658993	0	38	-1.0	-52.64	316.58	1.10	-51.54
N#CCN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658993	1	38	-1.0	-52.66	316.64	1.11	-51.55
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C(C=CS2)C1	REAL250004658994	0	36	-1.0	-47.69	303.40	5.66	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C(C=CS2)C1	REAL250004658994	1	36	-1.0	-47.74	303.46	5.68	-42.06
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658995	0	31	-1.0	-37.20	283.80	1.19	-36.01
COC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658995	1	31	-1.0	-37.20	283.87	1.22	-35.98
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1F	REAL250004658996	0	31	-1.0	-48.50	281.80	3.13	-45.37
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1F	REAL250004658996	1	31	-1.0	-48.51	281.86	3.14	-45.37
CC1=CC2=CNN=C2C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004658998	0	35	-1.0	-59.98	296.64	2.95	-57.03
CC1=CC2=CNN=C2C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004658998	1	35	-1.0	-59.97	296.70	2.97	-57.00
O=C(CCCC1=N[N-]N=N1)NCCCN1C(=O)CCC1=O	REAL250004658999	0	38	-1.0	-54.85	327.42	1.70	-53.15
O=C(CCCC1=NN=N[N-]1)NCCCN1C(=O)CCC1=O	REAL250004658999	1	38	-1.0	-54.84	327.48	1.71	-53.13
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=NNC=C1	REAL250004659000	0	33	-1.0	-52.69	295.58	-0.64	-53.33
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=NNC=C1	REAL250004659000	1	33	-1.0	-52.68	295.64	-0.62	-53.30
CCOCCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004659001	0	38	-1.0	-45.53	310.46	3.64	-41.89
CCOCCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004659001	1	38	-1.0	-45.52	310.52	3.66	-41.86
CCOCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659002	0	38	-1.0	-35.38	317.46	4.40	-30.98
CCOCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659002	1	38	-1.0	-35.40	317.53	4.40	-31.00
CC(C)OC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659003	0	34	-1.0	-45.34	294.61	2.22	-43.12
CC(C)OC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659003	1	34	-1.0	-45.35	294.67	2.23	-43.12
CC(C)OC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659004	0	34	-1.0	-37.32	305.21	2.00	-35.32
CC(C)OC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659004	1	34	-1.0	-37.29	305.27	2.01	-35.28
CC1COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659005	0	41	-1.0	-49.33	321.04	-0.80	-50.13
CC1COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659005	1	41	-1.0	-49.35	321.10	-0.78	-50.13
O=C(CCCC1=N[N-]N=N1)N1CCCS(=O)(=O)CC1	REAL250004659007	0	35	-1.0	-63.40	284.49	0.94	-62.46
O=C(CCCC1=NN=N[N-]1)N1CCCS(=O)(=O)CC1	REAL250004659007	1	35	-1.0	-63.40	284.55	0.95	-62.45
CC1=NNC=C1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004659008	0	33	-1.0	-49.22	292.10	-0.74	-49.96
CC1=NNC=C1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004659008	1	33	-1.0	-49.25	292.16	-0.73	-49.98
CCOCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659009	0	44	-1.0	-47.26	345.60	1.91	-45.35
CCOCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659009	1	44	-1.0	-47.23	345.66	1.93	-45.30
CCCCOC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659010	0	37	-1.0	-44.80	317.36	3.07	-41.73
CCCCOC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659010	1	37	-1.0	-44.80	317.42	3.09	-41.71
CC(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659011	0	42	-1.0	-53.64	335.54	2.68	-50.96
CC(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659011	1	42	-1.0	-53.69	335.59	2.69	-51.00
O=C(CCCC1=N[N-]N=N1)N1CCCC2=NNN=C21	REAL250004659012	0	32	-1.0	-45.62	268.69	2.23	-43.39
O=C(CCCC1=NN=N[N-]1)N1CCCC2=NNN=C21	REAL250004659012	1	32	-1.0	-45.63	268.74	2.24	-43.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2=NNN=C21	REAL250004659013	0	32	-1.0	-38.88	276.96	2.35	-36.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2=NNN=C21	REAL250004659013	1	32	-1.0	-38.83	277.03	2.36	-36.47
O=C(CCCC1=N[N-]N=N1)NCC1COCCO1	REAL250004659014	0	34	-1.0	-47.26	285.22	-0.32	-47.58
O=C(CCCC1=NN=N[N-]1)NCC1COCCO1	REAL250004659014	1	34	-1.0	-47.25	285.28	-0.30	-47.55
O=C(NCC1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659015	0	34	-1.0	-36.97	295.53	-0.45	-37.42
O=C(NCC1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659015	1	34	-1.0	-36.97	295.60	-0.45	-37.42
CC1=CC(C)=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659016	0	41	-1.0	-46.81	339.44	5.64	-41.17
CC1=CC(C)=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659016	1	41	-1.0	-46.83	339.50	5.65	-41.18
CS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659017	0	33	-1.0	-56.81	297.71	-3.39	-60.20
CS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659017	1	33	-1.0	-56.89	297.77	-3.37	-60.26
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004659018	0	35	-1.0	-46.28	286.42	-1.28	-47.56
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004659018	1	35	-1.0	-46.31	286.48	-1.26	-47.57
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004659019	0	35	-1.0	-41.68	302.68	-1.20	-42.88
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004659019	1	35	-1.0	-41.63	302.75	-1.19	-42.82
CC(CC(=O)OC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659020	0	43	-1.0	-52.24	348.91	4.38	-47.86
CC(CC(=O)OC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659020	1	43	-1.0	-52.23	348.96	4.40	-47.83
CC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004659021	0	39	-1.0	-47.19	313.09	6.32	-40.87
CC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004659021	1	39	-1.0	-47.19	313.15	6.34	-40.85
CC(C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659022	0	44	-1.0	-45.95	332.89	5.30	-40.65
CC(C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659022	1	44	-1.0	-46.00	332.95	5.31	-40.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=CC=CC=C21	REAL250004659023	0	38	-1.0	-47.27	321.93	5.58	-41.69
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=CC=CC=C21	REAL250004659023	1	38	-1.0	-47.26	321.99	5.60	-41.66
CC1=NN(C(F)F)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659024	0	35	-1.0	-52.81	311.67	2.27	-50.54
CC1=NN(C(F)F)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659024	1	35	-1.0	-52.84	311.73	2.29	-50.55
CN1C(=S)NN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659025	0	35	-1.0	-59.88	316.92	3.06	-56.82
CN1C(=S)NN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659025	1	35	-1.0	-59.87	316.98	3.08	-56.79
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004659026	0	35	-1.0	-46.80	296.60	4.31	-42.49
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004659026	1	35	-1.0	-46.87	296.66	4.33	-42.54
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004659027	0	35	-1.0	-35.69	307.18	4.11	-31.58
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004659027	1	35	-1.0	-35.64	307.25	4.13	-31.51
O=C(CCCC1=N[N-]N=N1)NCCCN1CCCCC1=O	REAL250004659028	0	42	-1.0	-53.08	342.22	2.95	-50.13
O=C(CCCC1=NN=N[N-]1)NCCCN1CCCCC1=O	REAL250004659028	1	42	-1.0	-53.11	342.27	2.97	-50.14
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004659029	0	35	-1.0	-46.82	296.56	4.31	-42.51
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004659029	1	35	-1.0	-46.83	296.62	4.33	-42.50
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004659030	0	35	-1.0	-35.68	307.15	4.12	-31.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004659030	1	35	-1.0	-35.64	307.22	4.13	-31.51
CCN1C=NN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659031	0	37	-1.0	-56.42	317.63	4.18	-52.24
CCN1C=NN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659031	1	37	-1.0	-56.40	317.69	4.19	-52.21
N#CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659032	0	32	-1.0	-41.36	293.62	2.32	-39.04
N#CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659032	1	32	-1.0	-41.34	293.68	2.33	-39.01
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CN=C1	REAL250004659033	0	35	-1.0	-50.20	311.35	1.13	-49.07
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CN=C1	REAL250004659033	1	35	-1.0	-50.16	311.40	1.15	-49.01
O=C(CCCC1=N[N-]N=N1)NCC1=NN=CN1C1CC1	REAL250004659034	0	35	-1.0	-50.57	304.52	3.91	-46.66
O=C(CCCC1=NN=N[N-]1)NCC1=NN=CN1C1CC1	REAL250004659034	1	35	-1.0	-50.60	304.58	3.92	-46.68
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)N1CCOCC1	REAL250004659035	0	44	-1.0	-47.76	336.66	0.84	-46.92
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)N1CCOCC1	REAL250004659035	1	44	-1.0	-47.79	336.72	0.85	-46.94
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C)=CS1	REAL250004659036	0	37	-1.0	-47.88	318.62	2.61	-45.27
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C)=CS1	REAL250004659036	1	37	-1.0	-47.88	318.68	2.62	-45.26
CC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659037	0	35	-1.0	-35.17	294.40	3.04	-32.13
CC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659037	1	35	-1.0	-35.13	294.47	3.04	-32.09
COC(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659039	0	41	-1.0	-48.50	331.64	4.20	-44.30
COC(=O)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659039	1	41	-1.0	-48.55	331.70	4.21	-44.34
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004659040	0	31	-1.0	-46.60	282.60	1.20	-45.40
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004659040	1	31	-1.0	-46.60	282.66	1.22	-45.38
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CC=C1F	REAL250004659041	0	32	-1.0	-46.85	291.06	3.57	-43.28
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CC=C1F	REAL250004659041	1	32	-1.0	-46.85	291.12	3.58	-43.27
CC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659042	0	34	-1.0	-48.41	291.75	2.17	-46.24
CC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659042	1	34	-1.0	-48.40	291.81	2.18	-46.22
CC1=CC=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659043	0	34	-1.0	-37.95	301.72	1.94	-36.01
CC1=CC=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659043	1	34	-1.0	-37.88	301.79	1.96	-35.92
CC1=CC=CC2=C1CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004659044	0	39	-1.0	-49.73	320.83	5.30	-44.43
CC1=CC=CC2=C1CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004659044	1	39	-1.0	-49.74	320.89	5.31	-44.43
O=C(CCCC1=N[N-]N=N1)NCC(O)CC1=CC=CC=C1	REAL250004659045	0	39	-1.0	-47.30	331.95	1.80	-45.50
O=C(CCCC1=NN=N[N-]1)NCC(O)CC1=CC=CC=C1	REAL250004659045	1	39	-1.0	-47.29	332.01	1.81	-45.48
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(CO)=C1	REAL250004659046	0	36	-1.0	-48.63	311.89	0.80	-47.83
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(CO)=C1	REAL250004659046	1	36	-1.0	-48.68	311.95	0.81	-47.87
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=CC=N1	REAL250004659048	0	35	-1.0	-51.38	309.95	1.30	-50.08
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=CC=N1	REAL250004659048	1	35	-1.0	-51.39	310.01	1.32	-50.07
CC(C)(C)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659049	0	43	-1.0	-46.31	338.90	4.47	-41.84
CC(C)(C)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659049	1	43	-1.0	-46.34	338.96	4.49	-41.85
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=C(F)C=C21	REAL250004659050	0	36	-1.0	-52.60	308.81	4.80	-47.80
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=C(F)C=C21	REAL250004659050	1	36	-1.0	-52.64	308.86	4.82	-47.82
C[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659052	0	38	-1.0	-47.15	302.27	3.77	-43.38
C[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659052	1	38	-1.0	-47.15	302.32	3.79	-43.36
C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659053	0	38	-1.0	-35.18	312.86	3.57	-31.61
C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659053	1	38	-1.0	-35.13	312.92	3.59	-31.54
CC1=NC(C)=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659054	0	37	-1.0	-50.33	326.51	2.71	-47.62
CC1=NC(C)=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659054	1	37	-1.0	-50.35	326.57	2.72	-47.63
O=C(CCCC1=N[N-]N=N1)NCCN1CCSCC1	REAL250004659055	1	38	-1.0	-48.06	315.84	1.25	-46.81
O=C(CCCC1=NN=N[N-]1)NCCN1CCSCC1	REAL250004659055	1	38	-1.0	-48.01	315.89	1.27	-46.74
COCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659056	0	39	-1.0	-46.75	310.62	3.33	-43.42
COCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659056	1	39	-1.0	-46.72	310.68	3.34	-43.38
CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659057	0	35	-1.0	-35.62	295.19	5.77	-29.85
CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659057	1	35	-1.0	-35.60	295.26	5.78	-29.82
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CNC1=O	REAL250004659058	0	34	-1.0	-56.25	300.58	-1.59	-57.84
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CNC1=O	REAL250004659058	1	34	-1.0	-56.29	300.64	-1.58	-57.87
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004659059	0	38	-1.0	-46.11	301.01	3.83	-42.28
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004659059	1	38	-1.0	-46.13	301.07	3.84	-42.29
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL250004659060	0	38	-1.0	-34.69	311.60	3.62	-31.07
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL250004659060	1	38	-1.0	-34.66	311.67	3.62	-31.04
O=C(CCCC1=N[N-]N=N1)NCCCN1C(=O)CNC1=O	REAL250004659061	0	37	-1.0	-54.81	322.08	-0.83	-55.64
O=C(CCCC1=NN=N[N-]1)NCCCN1C(=O)CNC1=O	REAL250004659061	1	37	-1.0	-54.81	322.14	-0.82	-55.63
CCCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659062	0	45	-1.0	-49.55	347.48	5.42	-44.13
CCCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659062	1	45	-1.0	-49.54	347.54	5.43	-44.11
CN(CCNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004659063	0	36	-1.0	-49.12	310.41	0.65	-48.47
CN(CCNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004659063	1	36	-1.0	-49.15	310.47	0.66	-48.49
O=C(CCCC1=N[N-]N=N1)NCC1CCSCC1	REAL250004659064	0	36	-1.0	-47.19	300.92	3.62	-43.57
O=C(CCCC1=NN=N[N-]1)NCC1CCSCC1	REAL250004659064	1	36	-1.0	-47.20	300.98	3.64	-43.56
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004659066	0	40	-1.0	-45.17	328.12	3.45	-41.72
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004659066	1	40	-1.0	-45.19	328.18	3.47	-41.72
O=C(CCCC1=N[N-]N=N1)NCCOCC1CC1	REAL250004659067	0	36	-1.0	-47.10	306.30	2.10	-45.00
O=C(CCCC1=NN=N[N-]1)NCCOCC1CC1	REAL250004659067	1	36	-1.0	-47.09	306.36	2.12	-44.97
O=C(NCCOCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659068	0	36	-1.0	-36.82	316.89	1.91	-34.91
O=C(NCCOCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659068	1	36	-1.0	-36.82	316.96	1.91	-34.91
CCSC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659069	0	42	-1.0	-46.83	334.93	6.55	-40.28
CCSC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659069	1	42	-1.0	-46.86	334.98	6.56	-40.30
CC(CS(C)(=O)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659070	0	37	-1.0	-63.17	313.39	1.48	-61.69
CC(CS(C)(=O)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659070	1	37	-1.0	-63.24	313.45	1.49	-61.75
CC1=CC=CC=C1C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659071	0	39	-1.0	-47.60	324.47	1.73	-45.87
CC1=CC=CC=C1C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659071	1	39	-1.0	-47.64	324.53	1.74	-45.90
CC1(C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659072	0	35	-1.0	-34.77	301.33	2.94	-31.83
CC1(C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659072	1	35	-1.0	-34.77	301.40	2.95	-31.82
CN(CCNS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004659073	0	36	-1.0	-60.58	315.81	-1.26	-61.84
CN(CCNS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004659073	1	36	-1.0	-60.54	315.87	-1.24	-61.78
CC(CC#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659074	0	29	-1.0	-43.44	270.86	1.64	-41.80
CC(CC#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659074	1	29	-1.0	-43.43	270.93	1.65	-41.78
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004659076	0	34	-1.0	-49.07	300.43	3.32	-45.75
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004659076	1	34	-1.0	-49.08	300.49	3.33	-45.75
CCC1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659077	0	35	-1.0	-46.57	302.35	1.16	-45.41
CCC1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659077	1	35	-1.0	-46.57	302.40	1.17	-45.40
CCC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004659077	1	35	-1.0	-48.25	302.40	1.15	-47.10
CCC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004659077	1	35	-1.0	-48.26	302.46	1.17	-47.09
CCC1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659078	0	35	-1.0	-36.97	312.94	0.95	-36.02
CCC1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659078	1	35	-1.0	-36.92	313.01	0.95	-35.97
CCC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004659078	1	35	-1.0	-38.02	313.00	0.95	-37.07
CCC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004659078	1	35	-1.0	-38.02	313.06	0.95	-37.07
CC(C)N1C=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659079	0	41	-1.0	-48.51	340.99	3.44	-45.07
CC(C)N1C=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659079	1	41	-1.0	-48.48	340.93	3.42	-45.06
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004659081	0	41	-1.0	-46.88	327.92	5.34	-41.54
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004659081	1	41	-1.0	-46.91	327.98	5.36	-41.55
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=C(O)C=C1	REAL250004659082	0	39	-1.0	-48.77	333.10	2.18	-46.59
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=C(O)C=C1	REAL250004659082	1	39	-1.0	-48.78	333.16	2.19	-46.59
O=C(CCCC1=N[N-]N=N1)NNC1=C(F)C=CC=C1F	REAL250004659083	0	31	-1.0	-49.02	282.23	3.24	-45.78
O=C(CCCC1=NN=N[N-]1)NNC1=C(F)C=CC=C1F	REAL250004659083	1	31	-1.0	-48.99	282.28	3.26	-45.73
COCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659084	0	43	-1.0	-50.14	344.69	2.84	-47.30
COCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659084	1	43	-1.0	-50.14	344.74	2.85	-47.29
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCC1	REAL250004659085	0	33	-1.0	-46.35	283.23	1.21	-45.14
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCC1	REAL250004659085	1	33	-1.0	-46.37	283.29	1.22	-45.15
CNC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659086	0	39	-1.0	-55.26	314.43	1.77	-53.49
CNC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659086	1	39	-1.0	-55.25	314.49	1.79	-53.46
COCCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659088	0	39	-1.0	-51.34	331.80	2.79	-48.55
COCCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659088	1	39	-1.0	-51.34	331.74	2.78	-48.56
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659089	0	41	-1.0	-47.17	310.46	5.87	-41.30
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659089	1	41	-1.0	-47.23	310.52	5.88	-41.35
CC(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659090	0	37	-1.0	-46.65	316.52	2.92	-43.73
CC(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659090	1	37	-1.0	-46.66	316.58	2.93	-43.73
O=C(NCCC1=CNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659091	0	32	-1.0	-41.72	290.49	1.59	-40.13
O=C(NCCC1=CNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659091	1	32	-1.0	-41.69	290.55	1.60	-40.09
COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659092	0	39	-1.0	-47.89	310.58	3.31	-44.58
COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659092	1	39	-1.0	-47.89	310.63	3.32	-44.57
COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659094	0	39	-1.0	-47.89	310.58	3.31	-44.58
COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659094	1	39	-1.0	-47.89	310.63	3.32	-44.57
CC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004659096	0	42	-1.0	-46.92	339.30	7.11	-39.81
CC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004659096	1	42	-1.0	-46.94	339.36	7.13	-39.81
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(F)=C1F	REAL250004659097	0	35	-1.0	-52.05	312.33	4.34	-47.71
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(F)=C1F	REAL250004659097	1	35	-1.0	-52.13	312.39	4.36	-47.77
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(F)C=C1F	REAL250004659098	0	35	-1.0	-49.65	312.45	4.35	-45.30
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(F)C=C1F	REAL250004659098	1	35	-1.0	-49.66	312.50	4.36	-45.30
CCS(=O)(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659099	0	37	-1.0	-59.28	321.56	0.28	-59.00
CCS(=O)(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659099	1	37	-1.0	-59.29	321.62	0.30	-58.99
O=C(CCCC1=N[N-]N=N1)NC1CCC(=O)NC1	REAL250004659100	0	33	-1.0	-51.17	278.33	-0.82	-51.99
O=C(CCCC1=NN=N[N-]1)NC1CCC(=O)NC1	REAL250004659100	1	33	-1.0	-51.22	278.39	-0.81	-52.03
O=C(NC1CCC(=O)NC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659101	0	33	-1.0	-38.98	288.91	-1.01	-39.99
O=C(NC1CCC(=O)NC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659101	1	33	-1.0	-38.92	288.97	-1.01	-39.93
NC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004659102	0	39	-1.0	-47.11	316.41	-0.20	-47.31
NC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004659102	1	39	-1.0	-47.15	316.47	-0.18	-47.33
CC1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659103	0	32	-1.0	-37.16	291.51	0.21	-36.95
CC1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659103	1	32	-1.0	-37.11	291.58	0.21	-36.90
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004659103	1	32	-1.0	-38.57	291.51	0.21	-38.36
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004659103	1	32	-1.0	-38.52	291.58	0.21	-38.31
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CCC2)CC1	REAL250004659104	1	41	-1.0	-46.31	319.30	3.26	-43.05
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CCC2)CC1	REAL250004659104	1	41	-1.0	-46.28	319.36	3.28	-43.00
CCC(CC)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659105	0	40	-1.0	-46.68	309.09	3.93	-42.75
CCC(CC)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659105	1	40	-1.0	-46.69	309.15	3.95	-42.74
CCC(CC)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659106	0	40	-1.0	-35.18	320.00	3.74	-31.44
CCC(CC)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659106	1	40	-1.0	-35.13	320.06	3.76	-31.37
C=CCN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659107	0	45	-1.0	-46.47	348.68	7.30	-39.17
C=CCN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659107	1	45	-1.0	-46.52	348.74	7.32	-39.20
C#CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659108	0	35	-1.0	-54.54	310.41	4.13	-50.41
C#CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659108	1	35	-1.0	-54.60	310.46	4.14	-50.46
C#CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659109	0	35	-1.0	-51.31	310.15	4.13	-47.18
C#CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659109	1	35	-1.0	-51.38	310.21	4.14	-47.24
CC(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004659110	0	34	-1.0	-59.61	300.09	-0.61	-60.22
CC(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004659110	1	34	-1.0	-59.62	300.15	-0.60	-60.22
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004659111	0	38	-1.0	-48.64	323.38	4.63	-44.01
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004659111	1	38	-1.0	-48.71	323.44	4.64	-44.07
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004659112	0	37	-1.0	-54.76	327.90	2.57	-52.19
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004659112	1	37	-1.0	-54.76	327.95	2.59	-52.17
O=C(CCCC1=NN=N[N-]1)NC1=NC=C(Cl)S1	REAL250004659113	0	25	-1.0	-43.87	254.60	2.13	-41.74
O=C(CCCC1=N[N-]N=N1)NC1=NC=C(Cl)S1	REAL250004659113	1	25	-1.0	-43.86	254.54	2.12	-41.74
N#CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659114	0	31	-1.0	-48.75	267.70	1.65	-47.10
N#CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659114	1	31	-1.0	-48.72	267.76	1.67	-47.05
N#CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659115	0	31	-1.0	-39.10	271.41	1.56	-37.54
N#CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659115	1	31	-1.0	-39.10	271.47	1.56	-37.54
CC(CCC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659116	0	47	-1.0	-46.74	362.62	6.20	-40.54
CC(CCC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659116	1	47	-1.0	-46.77	362.68	6.21	-40.56
CC1=NC(Cl)=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659118	0	32	-1.0	-45.79	300.80	2.46	-43.33
CC1=NC(Cl)=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659118	1	32	-1.0	-45.81	300.86	2.47	-43.34
COC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659119	0	42	-1.0	-48.12	315.20	3.96	-44.16
COC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659119	1	42	-1.0	-48.12	315.25	3.98	-44.14
CC1CC(C2=CC=CC=C2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004659120	0	42	-1.0	-46.41	336.08	6.96	-39.45
CC1CC(C2=CC=CC=C2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004659120	1	42	-1.0	-46.46	336.14	6.98	-39.48
CS(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659121	0	34	-1.0	-59.16	305.49	1.94	-57.22
CS(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659121	1	34	-1.0	-59.23	305.55	1.96	-57.27
O=C(NCC1(O)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659122	0	33	-1.0	-35.62	286.83	-0.72	-36.34
O=C(NCC1(O)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659122	1	33	-1.0	-35.61	286.89	-0.72	-36.33
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCCCC1	REAL250004659123	0	39	-1.0	-47.35	307.11	1.05	-46.30
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCCCC1	REAL250004659123	1	39	-1.0	-47.32	307.17	1.06	-46.26
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCCC1	REAL250004659124	0	36	-1.0	-47.46	293.01	0.18	-47.28
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCCC1	REAL250004659124	1	36	-1.0	-47.51	293.06	0.19	-47.32
O=C(NCC1(O)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659125	0	36	-1.0	-35.38	303.23	-0.06	-35.44
O=C(NCC1(O)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659125	1	36	-1.0	-35.43	303.30	-0.06	-35.49
CCC(O)(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659126	0	38	-1.0	-47.25	301.62	0.34	-46.91
CCC(O)(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659126	1	38	-1.0	-47.20	301.68	0.35	-46.85
CCC(O)(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659127	0	38	-1.0	-35.95	311.86	0.05	-35.90
CCC(O)(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659127	1	38	-1.0	-35.91	311.93	0.05	-35.86
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCCCCC1	REAL250004659128	0	42	-1.0	-47.07	317.28	1.77	-45.30
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCCCCC1	REAL250004659128	1	42	-1.0	-47.13	317.33	1.78	-45.35
CC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659129	0	32	-1.0	-36.29	279.90	-1.46	-37.75
CC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659129	1	32	-1.0	-36.25	279.96	-1.45	-37.70
COCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659130	0	36	-1.0	-46.74	301.54	-1.69	-48.43
COCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659130	1	36	-1.0	-46.74	301.60	-1.68	-48.42
COCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659131	0	36	-1.0	-37.68	312.13	-1.90	-39.58
COCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659131	1	36	-1.0	-37.68	312.20	-1.89	-39.57
CC(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659132	0	38	-1.0	-45.75	299.22	-0.21	-45.96
CC(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659132	1	38	-1.0	-45.79	299.27	-0.19	-45.98
CC(C)C(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659133	0	38	-1.0	-35.82	310.83	-0.12	-35.94
CC(C)C(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659133	1	38	-1.0	-35.81	310.89	-0.11	-35.92
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004659134	0	36	-1.0	-45.74	295.21	0.44	-45.30
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004659134	1	36	-1.0	-45.80	295.26	0.45	-45.35
CCCC(O)(CCC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659135	0	44	-1.0	-47.14	344.61	1.86	-45.28
CCCC(O)(CCC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659135	1	44	-1.0	-47.09	344.66	1.88	-45.21
CSCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659137	0	36	-1.0	-46.40	310.55	-0.13	-46.53
CSCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659137	1	36	-1.0	-46.43	310.61	-0.11	-46.54
CC(C)CCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659138	0	44	-1.0	-45.56	346.68	1.49	-44.07
CC(C)CCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659138	1	44	-1.0	-45.55	346.73	1.50	-44.05
O=C(CCCC1=N[N-]N=N1)NCCC1=NN=CN1	REAL250004659139	0	31	-1.0	-58.99	274.58	1.66	-57.33
O=C(CCCC1=NN=N[N-]1)NCCC1=NN=CN1	REAL250004659139	1	31	-1.0	-59.00	274.63	1.68	-57.32
O=C(NCCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659140	0	31	-1.0	-44.96	285.17	1.46	-43.50
O=C(NCCC1=NN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659140	1	31	-1.0	-44.92	285.24	1.47	-43.45
CC1=CC=CC2=NC(CNC(=O)CCCC3=N[N-]N=N3)=CN21	REAL250004659141	0	38	-1.0	-52.33	326.06	4.45	-47.88
CC1=CC=CC2=NC(CNC(=O)CCCC3=NN=N[N-]3)=CN21	REAL250004659141	1	38	-1.0	-52.35	326.12	4.46	-47.89
O=C(CCCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1CC1	REAL250004659142	0	42	-1.0	-48.19	340.91	7.20	-40.99
O=C(CCCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1CC1	REAL250004659142	1	42	-1.0	-48.21	340.97	7.21	-41.00
CCCCCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004659143	0	49	-1.0	-46.55	370.88	6.35	-40.20
CCCCCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004659143	1	49	-1.0	-46.53	370.93	6.36	-40.17
CC(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659144	0	41	-1.0	-46.56	312.66	5.34	-41.22
CC(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659144	1	41	-1.0	-46.59	312.72	5.36	-41.23
CCCC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004659145	0	41	-1.0	-47.48	334.62	4.10	-43.38
CCCC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004659145	1	41	-1.0	-47.54	334.68	4.12	-43.42
C=CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659146	0	36	-1.0	-35.02	298.54	4.95	-30.07
C=CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659146	1	36	-1.0	-35.03	298.60	4.95	-30.08
O=C(CCCC1=N[N-]N=N1)NCC1CCC2=CC=CC=C21	REAL250004659147	0	39	-1.0	-47.43	318.25	5.73	-41.70
O=C(CCCC1=NN=N[N-]1)NCC1CCC2=CC=CC=C21	REAL250004659147	1	39	-1.0	-47.43	318.31	5.74	-41.69
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCCC2C1	REAL250004659148	0	42	-1.0	-46.91	325.28	4.88	-42.03
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCCC2C1	REAL250004659148	1	42	-1.0	-46.92	325.34	4.90	-42.02
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1O	REAL250004659149	1	30	-1.0	-45.44	278.54	1.19	-44.25
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1O	REAL250004659149	1	30	-1.0	-45.47	278.59	1.20	-44.27
CC(C)(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659150	0	47	-1.0	-47.13	341.45	6.70	-40.43
CC(C)(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659150	1	47	-1.0	-47.17	341.51	6.71	-40.46
CC(CCC1=CC=CN1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659151	0	42	-1.0	-48.42	346.56	5.41	-43.01
CC(CCC1=CC=CN1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659151	1	42	-1.0	-48.46	346.62	5.42	-43.04
CC(C)(C)S(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659152	0	39	-1.0	-57.38	329.71	1.03	-56.35
CC(C)(C)S(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659152	1	39	-1.0	-57.44	329.76	1.05	-56.39
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659153	0	30	-1.0	-36.47	268.32	1.04	-35.43
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659153	1	30	-1.0	-36.45	268.39	1.06	-35.39
CC(C)(C)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659154	0	41	-1.0	-45.85	325.52	0.83	-45.02
CC(C)(C)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659154	1	41	-1.0	-45.83	325.58	0.84	-44.99
CCN1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659155	0	41	-1.0	-46.65	328.62	-0.27	-46.92
CCN1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659155	1	41	-1.0	-46.67	328.68	-0.26	-46.93
O=C(CCCC1=N[N-]N=N1)NCC1CC2=CC=CC=C2C1	REAL250004659156	0	39	-1.0	-47.56	323.41	5.30	-42.26
O=C(CCCC1=NN=N[N-]1)NCC1CC2=CC=CC=C2C1	REAL250004659156	1	39	-1.0	-47.59	323.46	5.31	-42.28
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004659157	0	36	-1.0	-47.06	291.85	1.27	-45.79
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004659157	1	36	-1.0	-47.07	291.90	1.28	-45.79
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL250004659158	0	36	-1.0	-36.44	302.37	1.16	-35.28
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL250004659158	1	36	-1.0	-36.42	302.44	1.16	-35.26
CCC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659159	0	37	-1.0	-35.53	299.31	4.93	-30.60
CCC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659159	1	37	-1.0	-35.49	299.38	4.95	-30.54
CC1SCCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004659160	0	36	-1.0	-45.17	288.99	4.62	-40.55
CC1SCCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004659160	1	36	-1.0	-45.20	289.05	4.64	-40.56
CN(CCN1CCCC1=O)C(=O)CCCC1=N[N-]N=N1	REAL250004659161	0	39	-1.0	-62.68	323.32	3.68	-59.00
CN(CCN1CCCC1=O)C(=O)CCCC1=NN=N[N-]1	REAL250004659161	1	39	-1.0	-62.73	323.38	3.69	-59.04
CC1CCCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659162	0	44	-1.0	-46.49	331.78	4.66	-41.83
CC1CCCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659162	1	44	-1.0	-46.48	331.83	4.67	-41.81
CCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659163	0	35	-1.0	-36.75	288.49	4.48	-32.27
CCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659163	1	35	-1.0	-36.70	288.55	4.49	-32.21
CSC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659164	0	39	-1.0	-46.62	322.94	4.18	-42.44
CSC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659164	1	39	-1.0	-46.62	322.99	4.20	-42.42
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659165	0	38	-1.0	-48.36	321.99	4.92	-43.44
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659165	1	38	-1.0	-48.39	322.05	4.94	-43.45
CN(CCN1C=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004659166	0	35	-1.0	-48.69	299.73	3.60	-45.09
CN(CCN1C=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004659166	1	35	-1.0	-48.70	299.67	3.58	-45.12
CN(CCN1C=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659167	0	35	-1.0	-37.33	307.43	4.00	-33.33
CN(CCN1C=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659167	1	35	-1.0	-37.34	307.36	3.98	-33.36
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659168	0	37	-1.0	-50.69	317.03	3.07	-47.62
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659168	1	37	-1.0	-50.70	317.09	3.09	-47.61
O=C(NCC1=NC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659169	0	29	-1.0	-39.30	269.10	-0.03	-39.33
O=C(NCC1=NC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659169	1	29	-1.0	-39.29	269.17	-0.03	-39.32
O=C(CCCC1=N[N-]N=N1)NC1CCCS(=O)(=O)C1	REAL250004659170	0	35	-1.0	-56.74	300.30	-0.81	-57.55
O=C(CCCC1=NN=N[N-]1)NC1CCCS(=O)(=O)C1	REAL250004659170	1	35	-1.0	-56.75	300.36	-0.79	-57.54
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004659171	0	41	-1.0	-47.04	321.61	4.63	-42.41
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004659171	1	41	-1.0	-47.09	321.67	4.64	-42.45
CCC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659172	0	35	-1.0	-50.20	296.71	3.36	-46.84
CCC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659172	1	35	-1.0	-50.19	296.77	3.38	-46.81
CCC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659173	0	35	-1.0	-36.75	307.38	3.14	-33.61
CCC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659173	1	35	-1.0	-36.69	307.45	3.15	-33.54
O=C(CCCC1=N[N-]N=N1)NCCCNC1=CC=CC=N1	REAL250004659174	0	39	-1.0	-49.59	330.49	2.28	-47.31
O=C(CCCC1=NN=N[N-]1)NCCCNC1=CC=CC=N1	REAL250004659174	1	39	-1.0	-49.61	330.55	2.29	-47.32
C=CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659175	0	32	-1.0	-35.48	284.33	2.49	-32.99
C=CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659175	1	32	-1.0	-35.44	284.40	2.50	-32.94
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=CN=C1	REAL250004659176	0	35	-1.0	-49.02	303.92	1.32	-47.70
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=CN=C1	REAL250004659176	1	35	-1.0	-49.00	303.86	1.30	-47.70
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004659177	0	39	-1.0	-46.63	323.79	1.66	-44.97
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004659177	1	39	-1.0	-46.64	323.85	1.67	-44.97
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCCCC1	REAL250004659178	0	45	-1.0	-46.65	347.81	3.61	-43.04
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCCCC1	REAL250004659178	1	45	-1.0	-46.66	347.87	3.63	-43.03
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CO2)C1	REAL250004659179	0	36	-1.0	-49.53	304.52	4.60	-44.93
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CO2)C1	REAL250004659179	1	36	-1.0	-49.55	304.58	4.61	-44.94
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659180	0	38	-1.0	-46.59	295.83	4.87	-41.72
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659180	1	38	-1.0	-46.57	295.88	4.88	-41.69
CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659181	0	38	-1.0	-35.11	303.92	5.07	-30.04
CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659181	1	38	-1.0	-35.10	303.99	5.08	-30.02
O=C(CCCC1=N[N-]N=N1)NCCC1CCOCC1	REAL250004659182	0	39	-1.0	-47.57	312.51	2.03	-45.54
O=C(CCCC1=NN=N[N-]1)NCCC1CCOCC1	REAL250004659182	1	39	-1.0	-47.58	312.56	2.04	-45.54
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC=C2CC1	REAL250004659183	0	39	-1.0	-47.84	308.93	6.55	-41.29
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC=C2CC1	REAL250004659183	1	39	-1.0	-47.84	308.98	6.56	-41.28
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004659184	0	39	-1.0	-46.28	311.17	3.51	-42.77
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004659184	1	39	-1.0	-46.27	311.23	3.53	-42.74
CC(C)CCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004659185	0	49	-1.0	-46.44	366.95	6.09	-40.35
CC(C)CCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004659185	1	49	-1.0	-46.45	367.00	6.11	-40.34
COC1=CC=C(O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659186	0	37	-1.0	-49.87	318.64	-0.08	-49.95
COC1=CC=C(O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659186	1	37	-1.0	-49.89	318.70	-0.06	-49.95
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004659187	0	39	-1.0	-50.19	293.30	3.13	-47.06
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004659187	1	39	-1.0	-50.22	293.36	3.14	-47.08
C#CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659188	0	38	-1.0	-50.13	335.17	4.29	-45.84
C#CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659188	1	38	-1.0	-50.18	335.22	4.31	-45.87
O=C(NCC1=COC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659189	0	28	-1.0	-39.27	265.09	-2.15	-41.42
O=C(NCC1=COC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659189	1	28	-1.0	-39.25	265.16	-2.14	-41.39
C=C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659190	0	33	-1.0	-35.37	277.30	4.34	-31.03
C=C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659190	1	33	-1.0	-35.34	277.37	4.35	-30.99
CN(CC(=O)N1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659191	0	40	-1.0	-54.39	326.22	2.01	-52.38
CN(CC(=O)N1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659191	1	40	-1.0	-54.40	326.28	2.03	-52.37
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC([N+](=O)[O-])=C1	REAL250004659192	0	34	-1.0	-50.46	307.30	4.15	-46.31
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC([N+](=O)[O-])=C1	REAL250004659192	1	34	-1.0	-50.51	307.36	4.17	-46.34
CCOCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659193	0	42	-1.0	-47.76	332.43	4.27	-43.49
CCOCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659193	1	42	-1.0	-47.77	332.49	4.29	-43.48
CC(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659194	0	44	-1.0	-47.19	326.89	6.33	-40.86
CC(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659194	1	44	-1.0	-47.20	326.95	6.34	-40.86
CN(CC1CCCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659195	0	39	-1.0	-49.91	306.25	3.38	-46.53
CN(CC1CCCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659195	1	39	-1.0	-49.92	306.31	3.40	-46.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(=O)CC2=C1	REAL250004659196	0	34	-1.0	-51.14	295.05	1.81	-49.33
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(=O)CC2=C1	REAL250004659196	1	34	-1.0	-51.13	295.10	1.82	-49.31
CCC(CC)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659197	0	41	-1.0	-45.88	321.06	0.39	-45.49
CCC(CC)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659197	1	41	-1.0	-45.86	321.12	0.41	-45.45
CC(C)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004659198	0	39	-1.0	-60.14	319.89	2.13	-58.01
CC(C)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004659198	1	39	-1.0	-60.18	319.95	2.15	-58.03
CC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC=C1	REAL250004659199	0	39	-1.0	-47.17	326.59	3.72	-43.45
CC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC=C1	REAL250004659199	1	39	-1.0	-47.18	326.65	3.74	-43.44
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CCC1=O	REAL250004659200	0	35	-1.0	-55.79	305.92	0.94	-54.85
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CCC1=O	REAL250004659200	1	35	-1.0	-55.79	305.98	0.95	-54.84
COC(=O)C1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659201	0	34	-1.0	-51.77	304.49	3.74	-48.03
COC(=O)C1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659201	1	34	-1.0	-51.76	304.43	3.72	-48.04
O=C(CCCC1=N[N-]N=N1)N1CC(N2C=CN=C2)C1	REAL250004659202	0	33	-1.0	-51.05	285.77	4.18	-46.87
O=C(CCCC1=NN=N[N-]1)N1CC(N2C=CN=C2)C1	REAL250004659202	1	33	-1.0	-51.07	285.83	4.19	-46.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(N2C=CN=C2)C1	REAL250004659203	0	33	-1.0	-39.58	293.68	4.13	-35.45
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(N2C=CN=C2)C1	REAL250004659203	1	33	-1.0	-39.53	293.75	4.14	-35.39
CCC1=NC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004659204	0	37	-1.0	-46.01	326.36	2.95	-43.06
CCC1=NC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004659204	1	37	-1.0	-46.05	326.42	2.96	-43.09
CCSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659206	0	36	-1.0	-52.18	314.67	5.22	-46.96
CCSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659206	1	36	-1.0	-52.18	314.73	5.24	-46.94
CC(C)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659207	0	42	-1.0	-46.16	319.62	3.68	-42.48
CC(C)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659207	1	42	-1.0	-46.19	319.68	3.70	-42.49
CCN1C=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659208	0	38	-1.0	-48.49	321.59	4.28	-44.21
CCN1C=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659208	1	38	-1.0	-48.46	321.53	4.26	-44.20
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=NC=C2)C=C1	REAL250004659209	0	35	-1.0	-49.17	306.23	3.74	-45.43
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=NC=C2)C=C1	REAL250004659209	1	35	-1.0	-49.12	306.28	3.76	-45.36
O=C(CCCC1=N[N-]N=N1)NNC1=CN=NC2=CC=CC=C21	REAL250004659210	0	35	-1.0	-50.15	303.16	2.32	-47.83
O=C(CCCC1=NN=N[N-]1)NNC1=CN=NC2=CC=CC=C21	REAL250004659210	1	35	-1.0	-50.13	303.22	2.34	-47.79
CC1CCCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659212	0	41	-1.0	-46.81	311.71	5.96	-40.85
CC1CCCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659212	1	41	-1.0	-46.81	311.77	5.98	-40.83
COCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004659213	0	37	-1.0	-48.25	302.85	1.20	-47.05
COCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004659213	1	37	-1.0	-48.24	302.90	1.21	-47.03
O=C(NNC1=CN=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659214	0	29	-1.0	-37.33	272.57	0.21	-37.12
O=C(NNC1=CN=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659214	1	29	-1.0	-37.32	272.64	0.21	-37.11
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CC=C1Cl	REAL250004659215	0	30	-1.0	-48.34	281.62	2.82	-45.52
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CC=C1Cl	REAL250004659215	1	30	-1.0	-48.41	281.68	2.84	-45.57
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC=N1	REAL250004659216	0	32	-1.0	-46.73	283.71	2.72	-44.01
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NC=N1	REAL250004659216	1	32	-1.0	-46.78	283.77	2.73	-44.05
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CN=C1Cl	REAL250004659217	0	29	-1.0	-49.31	276.55	0.91	-48.40
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CN=C1Cl	REAL250004659217	1	29	-1.0	-49.32	276.61	0.92	-48.40
CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659218	0	31	-1.0	-47.10	285.79	1.41	-45.69
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659218	1	31	-1.0	-47.14	285.84	1.42	-45.72
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2=CC=CC=C2)=C1	REAL250004659219	0	35	-1.0	-46.75	307.39	5.48	-41.27
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2=CC=CC=C2)=C1	REAL250004659219	1	35	-1.0	-46.71	307.33	5.47	-41.24
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004659221	0	38	-1.0	-46.74	303.42	3.89	-42.85
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004659221	1	38	-1.0	-46.76	303.48	3.91	-42.85
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004659222	0	38	-1.0	-35.19	312.53	3.67	-31.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004659222	1	38	-1.0	-35.18	312.59	3.68	-31.50
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004659223	0	41	-1.0	-46.02	327.53	5.38	-40.64
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004659223	1	41	-1.0	-46.02	327.59	5.40	-40.62
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004659224	0	40	-1.0	-46.80	318.94	3.96	-42.84
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004659224	1	40	-1.0	-46.81	318.99	3.97	-42.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004659226	0	35	-1.0	-46.76	309.27	4.43	-42.33
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004659226	1	35	-1.0	-46.78	309.33	4.45	-42.33
CC1CC(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659227	0	36	-1.0	-51.05	285.04	0.85	-50.20
CC1CC(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659227	1	36	-1.0	-51.08	285.09	0.87	-50.21
O=C(CCCC1=N[N-]N=N1)NC1CC1CC1=CC=CC=C1	REAL250004659228	0	39	-1.0	-47.09	331.97	5.81	-41.28
O=C(CCCC1=NN=N[N-]1)NC1CC1CC1=CC=CC=C1	REAL250004659228	1	39	-1.0	-47.10	332.02	5.82	-41.28
CC(C)(C)OC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659230	0	37	-1.0	-45.04	307.42	2.62	-42.42
CC(C)(C)OC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659230	1	37	-1.0	-45.07	307.48	2.63	-42.44
CC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659231	0	33	-1.0	-45.06	281.45	2.79	-42.27
CC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659231	1	33	-1.0	-45.07	281.50	2.80	-42.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NC=C1	REAL250004659232	0	33	-1.0	-46.05	292.28	2.68	-43.37
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NC=C1	REAL250004659232	1	33	-1.0	-46.05	292.22	2.67	-43.38
CC(C)(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659233	0	39	-1.0	-44.25	314.83	4.01	-40.24
CC(C)(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659233	1	39	-1.0	-44.26	314.89	4.02	-40.24
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL250004659234	0	34	-1.0	-44.42	303.17	3.26	-41.16
CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL250004659234	1	34	-1.0	-44.43	303.22	3.28	-41.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC=C1	REAL250004659235	0	31	-1.0	-48.04	280.45	2.41	-45.63
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC=C1	REAL250004659235	1	31	-1.0	-48.02	280.51	2.43	-45.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC=CCC1	REAL250004659236	0	38	-1.0	-44.37	314.69	4.59	-39.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC=CCC1	REAL250004659236	1	38	-1.0	-44.38	314.74	4.60	-39.78
O=C(CC1C=CCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659237	0	38	-1.0	-45.83	317.00	4.65	-41.18
O=C(CC1C=CCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659237	1	38	-1.0	-45.83	317.06	4.66	-41.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC=N1	REAL250004659238	0	32	-1.0	-45.63	288.81	0.89	-44.74
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC=N1	REAL250004659238	1	32	-1.0	-45.61	288.75	0.87	-44.74
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC1	REAL250004659239	0	34	-1.0	-45.09	288.37	3.41	-41.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL250004659239	1	34	-1.0	-45.06	288.43	3.43	-41.63
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC1	REAL250004659240	0	37	-1.0	-45.04	304.56	4.01	-41.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC1	REAL250004659240	1	37	-1.0	-45.01	304.62	4.02	-40.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=N1	REAL250004659241	0	33	-1.0	-45.34	294.01	2.74	-42.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=N1	REAL250004659241	1	33	-1.0	-45.36	293.96	2.72	-42.64
COCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659242	0	31	-1.0	-48.69	274.36	1.42	-47.27
COCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659242	1	31	-1.0	-48.69	274.42	1.43	-47.26
CCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659243	0	34	-1.0	-48.72	296.22	2.38	-46.34
CCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659243	1	34	-1.0	-48.71	296.27	2.39	-46.32
CC(=O)NCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659244	0	34	-1.0	-46.28	300.32	-0.19	-46.47
CC(=O)NCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659244	1	34	-1.0	-46.26	300.38	-0.17	-46.43
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCO1	REAL250004659245	0	35	-1.0	-48.28	297.41	2.62	-45.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCO1	REAL250004659245	1	35	-1.0	-48.31	297.47	2.63	-45.68
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CO1	REAL250004659246	0	34	-1.0	-44.66	298.44	3.23	-41.43
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CO1	REAL250004659246	1	34	-1.0	-44.67	298.49	3.24	-41.43
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN1	REAL250004659247	0	32	-1.0	-47.03	283.93	2.25	-44.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN1	REAL250004659247	1	32	-1.0	-47.03	283.87	2.24	-44.79
CC1CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659248	0	34	-1.0	-44.29	293.26	3.58	-40.71
CC1CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659248	1	34	-1.0	-44.30	293.32	3.59	-40.71
CN1C=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659249	0	35	-1.0	-44.90	300.88	3.88	-41.02
CN1C=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659249	1	35	-1.0	-44.88	300.93	3.89	-40.99
CN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL250004659250	0	34	-1.0	-47.34	302.14	2.20	-45.14
CN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL250004659250	1	34	-1.0	-47.34	302.09	2.19	-45.15
CCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659251	0	36	-1.0	-45.39	304.64	3.68	-41.71
CCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659251	1	36	-1.0	-45.41	304.70	3.69	-41.72
CCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659252	0	33	-1.0	-45.41	283.14	2.89	-42.52
CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659252	1	33	-1.0	-45.40	283.20	2.91	-42.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL250004659253	0	33	-1.0	-45.13	292.10	2.67	-42.46
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL250004659253	1	33	-1.0	-45.14	292.04	2.66	-42.48
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL250004659254	0	31	-1.0	-45.01	280.98	2.45	-42.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL250004659254	1	31	-1.0	-44.99	281.03	2.47	-42.52
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC=C1	REAL250004659255	0	34	-1.0	-44.27	299.16	3.12	-41.15
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC=C1	REAL250004659255	1	34	-1.0	-44.28	299.22	3.14	-41.14
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC1	REAL250004659256	0	31	-1.0	-45.16	271.89	2.91	-42.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL250004659256	1	31	-1.0	-45.15	271.95	2.92	-42.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL250004659257	0	34	-1.0	-46.16	297.04	4.43	-41.73
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL250004659257	1	34	-1.0	-46.15	297.09	4.44	-41.71
CC(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659258	0	36	-1.0	-45.06	299.87	3.48	-41.58
CC(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659258	1	36	-1.0	-45.09	299.92	3.49	-41.60
CCC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659259	0	36	-1.0	-44.99	299.10	3.43	-41.56
CCC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659259	1	36	-1.0	-44.98	299.16	3.44	-41.54
CSCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659260	0	31	-1.0	-47.83	284.70	2.56	-45.27
CSCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659260	1	31	-1.0	-47.86	284.76	2.58	-45.28
CC(C)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659261	0	39	-1.0	-45.27	322.21	4.18	-41.09
CC(C)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659261	1	39	-1.0	-45.24	322.26	4.20	-41.04
CC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659262	0	36	-1.0	-44.84	300.13	3.35	-41.49
CC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659262	1	36	-1.0	-44.84	300.18	3.36	-41.48
CCC(CC)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659263	0	39	-1.0	-44.04	314.30	3.93	-40.11
CCC(CC)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659263	1	39	-1.0	-44.02	314.35	3.95	-40.07
CCCC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659264	0	39	-1.0	-44.98	320.60	4.18	-40.80
CCCC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659264	1	39	-1.0	-44.94	320.65	4.20	-40.74
CSCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659265	0	34	-1.0	-44.36	306.38	3.37	-40.99
CSCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659265	1	34	-1.0	-44.38	306.43	3.38	-41.00
CCCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659266	0	39	-1.0	-45.36	326.14	4.46	-40.90
CCCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659266	1	39	-1.0	-45.34	326.19	4.47	-40.87
O=C(CC1CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659267	0	34	-1.0	-45.74	292.57	3.67	-42.07
O=C(CC1CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659267	1	34	-1.0	-45.76	292.63	3.68	-42.08
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC=C1	REAL250004659268	0	31	-1.0	-47.06	279.62	0.92	-46.14
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC=C1	REAL250004659268	1	31	-1.0	-47.04	279.57	0.91	-46.13
CSC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659269	0	34	-1.0	-47.60	303.15	3.12	-44.48
CSC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659269	1	34	-1.0	-47.59	303.21	3.13	-44.46
CCOC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659270	0	37	-1.0	-48.37	316.38	3.07	-45.30
CCOC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659270	1	37	-1.0	-48.36	316.43	3.08	-45.28
CC(C)(C#N)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659271	0	34	-1.0	-51.88	299.51	2.90	-48.98
CC(C)(C#N)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659271	1	34	-1.0	-51.90	299.57	2.92	-48.98
COCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659272	0	37	-1.0	-48.24	316.81	1.97	-46.27
COCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659272	1	37	-1.0	-48.23	316.87	1.98	-46.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNN=C1	REAL250004659273	0	30	-1.0	-43.45	274.33	-0.51	-43.96
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNN=C1	REAL250004659273	1	30	-1.0	-43.40	274.28	-0.52	-43.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NOC=C1	REAL250004659274	0	30	-1.0	-45.23	275.79	1.70	-43.53
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NOC=C1	REAL250004659274	1	30	-1.0	-45.24	275.73	1.69	-43.55
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL250004659275	0	34	-1.0	-46.12	301.56	1.49	-44.63
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1	REAL250004659275	1	34	-1.0	-46.12	301.50	1.47	-44.65
COC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659276	0	34	-1.0	-48.33	293.80	2.12	-46.21
COC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659276	1	34	-1.0	-48.33	293.86	2.13	-46.20
COC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659277	0	34	-1.0	-48.33	293.80	2.12	-46.21
COC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659277	1	34	-1.0	-48.33	293.86	2.13	-46.20
CC(C)OCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659278	0	37	-1.0	-48.62	316.49	3.10	-45.52
CC(C)OCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659278	1	37	-1.0	-48.62	316.55	3.12	-45.50
CN1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659279	0	34	-1.0	-45.44	296.66	2.22	-43.22
CN1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659279	1	34	-1.0	-45.40	296.61	2.21	-43.19
CCCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659280	0	37	-1.0	-48.50	317.72	3.18	-45.32
CCCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659280	1	37	-1.0	-48.49	317.77	3.19	-45.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004659281	0	35	-1.0	-47.59	295.08	1.46	-46.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004659281	1	35	-1.0	-47.60	295.13	1.48	-46.12
CCC(OC)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659282	0	37	-1.0	-47.79	312.04	2.86	-44.93
CCC(OC)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659282	1	37	-1.0	-47.81	312.10	2.87	-44.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC=N1	REAL250004659283	0	31	-1.0	-47.66	279.73	1.98	-45.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC=N1	REAL250004659283	1	31	-1.0	-47.65	279.68	1.96	-45.69
CCC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659284	0	39	-1.0	-45.00	314.35	3.84	-41.16
CCC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659284	1	39	-1.0	-44.98	314.40	3.86	-41.12
COC(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659285	0	37	-1.0	-46.84	314.45	2.65	-44.19
COC(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659285	1	37	-1.0	-46.86	314.51	2.67	-44.19
C=CCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659286	0	34	-1.0	-45.27	295.95	3.46	-41.81
C=CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659286	1	34	-1.0	-45.26	296.01	3.47	-41.79
CCOCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659287	0	37	-1.0	-44.69	317.17	2.17	-42.52
CCOCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659287	1	37	-1.0	-44.69	317.23	2.18	-42.51
COCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659288	0	34	-1.0	-44.81	295.32	1.20	-43.61
COCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659288	1	34	-1.0	-44.81	295.37	1.21	-43.60
CN1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL250004659289	0	34	-1.0	-47.75	302.71	2.24	-45.51
CN1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL250004659289	1	34	-1.0	-47.79	302.65	2.23	-45.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC=N1	REAL250004659290	0	30	-1.0	-45.36	275.82	-0.94	-46.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC=N1	REAL250004659290	1	30	-1.0	-45.33	275.77	-0.96	-46.29
CC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1	REAL250004659291	0	34	-1.0	-46.98	302.00	1.82	-45.16
CC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1	REAL250004659291	1	34	-1.0	-46.97	301.94	1.80	-45.17
COCC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659292	0	37	-1.0	-44.19	314.29	1.90	-42.29
COCC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659292	1	37	-1.0	-44.20	314.35	1.92	-42.28
C=CCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659293	0	35	-1.0	-49.04	309.12	2.95	-46.09
C=CCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659293	1	35	-1.0	-49.05	309.18	2.96	-46.09
O=C(CCC1CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659294	0	37	-1.0	-45.42	314.75	4.46	-40.96
O=C(CCC1CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659294	1	37	-1.0	-45.45	314.81	4.48	-40.97
CC(C)C(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659295	0	39	-1.0	-43.79	314.74	4.01	-39.78
CC(C)C(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659295	1	39	-1.0	-43.78	314.80	4.02	-39.76
COC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659296	0	37	-1.0	-48.60	306.14	2.58	-46.02
COC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659296	1	37	-1.0	-48.58	306.19	2.59	-45.99
N#CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCC1	REAL250004659297	0	35	-1.0	-43.61	307.39	3.56	-40.05
N#CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCC1	REAL250004659297	1	35	-1.0	-43.66	307.45	3.57	-40.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC=CC1	REAL250004659298	0	35	-1.0	-44.85	297.18	3.90	-40.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC=CC1	REAL250004659298	1	35	-1.0	-44.85	297.23	3.92	-40.93
O=C(CC1CCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659299	0	37	-1.0	-45.64	309.54	4.19	-41.45
O=C(CC1CCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659299	1	37	-1.0	-45.65	309.60	4.20	-41.45
CCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL250004659300	0	37	-1.0	-44.40	314.68	4.11	-40.29
CCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL250004659300	1	37	-1.0	-44.40	314.74	4.12	-40.28
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C2CCCC21	REAL250004659301	0	38	-1.0	-44.91	310.10	4.86	-40.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C2CCCC21	REAL250004659301	1	38	-1.0	-44.87	310.16	4.88	-39.99
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CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=CN1	REAL250004659356	0	34	-1.0	-46.77	298.00	2.56	-44.21
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=CN1	REAL250004659356	1	34	-1.0	-46.77	297.95	2.54	-44.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CC2C1	REAL250004659357	0	38	-1.0	-44.95	315.95	4.74	-40.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL250004659357	1	38	-1.0	-44.94	316.01	4.76	-40.18
C=C1CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659358	0	32	-1.0	-45.02	285.71	3.47	-41.55
C=C1CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659358	1	32	-1.0	-45.05	285.77	3.49	-41.56
C[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C	REAL250004659359	0	38	-1.0	-45.62	307.53	0.89	-44.73
C[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C	REAL250004659359	1	38	-1.0	-45.64	307.59	0.91	-44.73
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1C[C@@H](O)C1	REAL250004659360	0	35	-1.0	-49.23	299.56	0.00	-49.23
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1C[C@@H](O)C1	REAL250004659360	1	35	-1.0	-49.23	299.61	0.01	-49.22
CC1=COC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659361	0	34	-1.0	-47.59	299.01	3.11	-44.48
CC1=COC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659361	1	34	-1.0	-47.57	299.07	3.13	-44.44
CC(CF)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659362	0	33	-1.0	-43.74	287.24	2.91	-40.83
CC(CF)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659362	1	33	-1.0	-43.73	287.30	2.92	-40.81
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004659363	0	38	-1.0	-45.06	315.85	4.76	-40.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004659363	1	38	-1.0	-45.08	315.90	4.78	-40.30
C[C@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C	REAL250004659364	0	38	-1.0	-45.38	306.78	0.82	-44.56
C[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C	REAL250004659364	1	38	-1.0	-45.39	306.84	0.83	-44.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2(CC2)C1	REAL250004659365	0	38	-1.0	-44.75	320.73	4.80	-39.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2(CC2)C1	REAL250004659365	1	38	-1.0	-44.74	320.79	4.81	-39.93
C=C1CC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL250004659366	0	38	-1.0	-44.39	319.82	4.45	-39.94
C=C1CC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL250004659366	1	38	-1.0	-44.38	319.88	4.46	-39.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN=N1	REAL250004659367	0	32	-1.0	-45.70	289.35	1.60	-44.10
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN=N1	REAL250004659367	1	32	-1.0	-45.73	289.30	1.58	-44.15
CC1=COC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL250004659368	0	34	-1.0	-44.14	302.87	3.14	-41.00
CC1=COC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL250004659368	1	34	-1.0	-44.13	302.93	3.16	-40.97
O=C(COC1CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659369	0	35	-1.0	-49.67	306.31	3.15	-46.52
O=C(COC1CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659369	1	35	-1.0	-49.66	306.37	3.17	-46.49
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CC2)CC1	REAL250004659370	0	38	-1.0	-44.30	313.60	5.11	-39.19
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CC2)CC1	REAL250004659370	1	38	-1.0	-44.27	313.65	5.12	-39.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=CC=N1	REAL250004659371	0	32	-1.0	-49.65	289.91	1.93	-47.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=CC=N1	REAL250004659371	1	32	-1.0	-49.64	289.85	1.92	-47.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@]12C[C@H]1CCC2	REAL250004659372	0	38	-1.0	-45.00	316.51	4.70	-40.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@]12C[C@H]1CCC2	REAL250004659372	1	38	-1.0	-44.98	316.57	4.72	-40.26
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CCC1	REAL250004659373	0	38	-1.0	-44.57	316.25	4.44	-40.13
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CCC1	REAL250004659373	1	38	-1.0	-44.57	316.31	4.45	-40.12
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC=CC1	REAL250004659374	0	38	-1.0	-44.56	315.26	4.45	-40.11
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC=CC1	REAL250004659374	1	38	-1.0	-44.56	315.32	4.46	-40.10
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC1F	REAL250004659375	0	34	-1.0	-48.16	294.16	3.45	-44.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1F	REAL250004659375	1	34	-1.0	-48.17	294.22	3.47	-44.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1CF	REAL250004659376	0	34	-1.0	-47.32	300.18	3.71	-43.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1CF	REAL250004659376	1	34	-1.0	-47.29	300.24	3.72	-43.57
CC(C)(CF)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659377	0	36	-1.0	-43.40	305.12	3.43	-39.97
CC(C)(CF)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659377	1	36	-1.0	-43.38	305.17	3.45	-39.93
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659378	0	32	-1.0	-46.63	293.16	3.32	-43.31
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659378	1	32	-1.0	-46.64	293.22	3.33	-43.31
C=C(C)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659379	0	37	-1.0	-44.85	317.60	4.13	-40.72
C=C(C)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659379	1	37	-1.0	-44.84	317.65	4.14	-40.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(F)C1	REAL250004659380	0	34	-1.0	-44.20	294.71	3.51	-40.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(F)C1	REAL250004659380	1	34	-1.0	-44.18	294.77	3.52	-40.66
CCC(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659381	0	33	-1.0	-44.96	289.17	2.94	-42.02
CCC(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659381	1	33	-1.0	-44.96	289.23	2.95	-42.01
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC1F	REAL250004659382	0	31	-1.0	-43.33	278.95	2.99	-40.34
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1F	REAL250004659382	1	31	-1.0	-43.32	279.01	3.01	-40.31
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659383	0	34	-1.0	-45.02	293.54	3.57	-41.45
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659383	1	34	-1.0	-45.05	293.60	3.58	-41.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CC=CCC1	REAL250004659384	0	38	-1.0	-44.52	315.00	4.59	-39.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CC=CCC1	REAL250004659384	1	38	-1.0	-44.50	315.06	4.60	-39.90
CN(C)C(=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659385	0	34	-1.0	-41.27	292.83	0.66	-40.61
CN(C)C(=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659385	1	34	-1.0	-41.28	292.89	0.67	-40.61
CCSCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659386	0	34	-1.0	-47.67	306.17	3.46	-44.21
CCSCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659386	1	34	-1.0	-47.68	306.22	3.47	-44.21
O=C(CC12CC(C1)C2)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659387	0	38	-1.0	-46.33	315.60	4.84	-41.49
O=C(CC12CC(C1)C2)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659387	1	38	-1.0	-46.32	315.66	4.85	-41.47
O=C(CC1CC=CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659388	0	38	-1.0	-45.33	317.41	4.66	-40.67
O=C(CC1CC=CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659388	1	38	-1.0	-45.34	317.47	4.67	-40.67
CO[C@H](C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659389	0	34	-1.0	-48.40	294.20	2.12	-46.28
CO[C@H](C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659389	1	34	-1.0	-48.43	294.26	2.13	-46.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004659390	0	38	-1.0	-45.47	314.36	4.66	-40.81
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004659390	1	38	-1.0	-45.44	314.42	4.68	-40.76
CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1	REAL250004659391	0	35	-1.0	-46.79	306.12	2.81	-43.98
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1	REAL250004659391	1	35	-1.0	-46.81	306.06	2.79	-44.02
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1CC1(F)F	REAL250004659392	0	31	-1.0	-46.10	284.89	3.07	-43.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1CC1(F)F	REAL250004659392	1	31	-1.0	-46.09	284.95	3.08	-43.01
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004659393	0	38	-1.0	-45.14	321.58	4.74	-40.40
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004659393	1	38	-1.0	-45.14	321.64	4.75	-40.39
C[C@H]1C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@H]1C	REAL250004659394	0	37	-1.0	-44.07	302.38	4.08	-39.99
C[C@H]1C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@H]1C	REAL250004659394	1	37	-1.0	-44.06	302.44	4.09	-39.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CC1(F)F	REAL250004659395	0	31	-1.0	-47.91	283.65	3.09	-44.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CC1(F)F	REAL250004659395	1	31	-1.0	-47.89	283.71	3.11	-44.78
C#CCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659396	0	33	-1.0	-51.63	302.00	2.91	-48.72
C#CCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659396	1	33	-1.0	-51.63	302.06	2.92	-48.71
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004659397	0	33	-1.0	-48.28	295.03	4.07	-44.21
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004659397	1	33	-1.0	-48.29	295.08	4.08	-44.21
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N1	REAL250004659398	0	32	-1.0	-52.47	286.60	-1.18	-53.65
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1CC(=O)N1	REAL250004659398	1	32	-1.0	-52.46	286.65	-1.16	-53.62
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004659399	0	38	-1.0	-47.20	320.43	3.76	-43.44
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004659399	1	38	-1.0	-47.19	320.49	3.78	-43.41
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004659400	0	30	-1.0	-48.84	270.66	-1.04	-49.88
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004659400	1	30	-1.0	-48.85	270.71	-1.03	-49.88
CC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL250004659401	0	30	-1.0	-38.66	281.25	-1.25	-39.91
CC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL250004659401	1	30	-1.0	-38.63	281.31	-1.24	-39.87
CCCC1SCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659402	0	36	-1.0	-46.79	301.26	4.77	-42.02
CCCC1SCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659402	1	36	-1.0	-46.83	301.32	4.79	-42.04
O=C(CCCC1=N[N-]N=N1)N1CCCC2CCCC21	REAL250004659403	0	39	-1.0	-47.01	297.21	5.32	-41.69
O=C(CCCC1=NN=N[N-]1)N1CCCC2CCCC21	REAL250004659403	1	39	-1.0	-47.01	297.27	5.33	-41.68
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2CCCC21	REAL250004659404	0	39	-1.0	-34.88	303.88	5.52	-29.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2CCCC21	REAL250004659404	1	39	-1.0	-34.87	303.95	5.54	-29.33
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCCO1	REAL250004659405	0	40	-1.0	-50.34	331.70	0.96	-49.38
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCCO1	REAL250004659405	1	40	-1.0	-50.38	331.76	0.98	-49.40
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659406	0	37	-1.0	-35.59	294.55	4.84	-30.75
CN(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659406	1	37	-1.0	-35.55	294.61	4.84	-30.71
COCC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004659407	0	38	-1.0	-45.29	302.99	1.59	-43.70
COCC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004659407	1	38	-1.0	-45.33	303.04	1.60	-43.73
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004659408	0	38	-1.0	-35.82	313.12	1.38	-34.44
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004659408	1	38	-1.0	-35.82	313.20	1.40	-34.42
CCOC1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004659409	0	43	-1.0	-49.83	346.13	3.82	-46.01
CCOC1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004659409	1	43	-1.0	-49.87	346.19	3.83	-46.04
COC(=O)C(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL250004659410	0	43	-1.0	-51.60	348.48	4.04	-47.56
COC(=O)C(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL250004659410	1	43	-1.0	-51.59	348.54	4.05	-47.54
CC(C)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659411	0	34	-1.0	-52.00	303.33	4.16	-47.84
CC(C)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659411	1	34	-1.0	-51.99	303.27	4.15	-47.84
CCCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004659412	0	35	-1.0	-47.93	296.99	2.86	-45.07
CCCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004659412	1	35	-1.0	-47.98	297.05	2.87	-45.11
CCCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004659413	0	35	-1.0	-37.54	307.56	2.67	-34.87
CCCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004659413	1	35	-1.0	-37.50	307.63	2.68	-34.82
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCOCC1	REAL250004659414	0	40	-1.0	-46.86	318.84	-0.98	-47.84
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCOCC1	REAL250004659414	1	40	-1.0	-46.82	318.90	-0.97	-47.79
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C)C1=O	REAL250004659415	0	36	-1.0	-56.05	294.13	2.41	-53.64
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C)C1=O	REAL250004659415	1	36	-1.0	-56.04	294.19	2.43	-53.61
CSCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659416	0	32	-1.0	-36.09	296.00	2.26	-33.83
CSCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659416	1	32	-1.0	-36.05	296.07	2.27	-33.78
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1CC1	REAL250004659418	0	39	-1.0	-48.19	313.04	6.61	-41.58
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1CC1	REAL250004659418	1	39	-1.0	-48.17	313.10	6.62	-41.55
CN1CC(NC(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004659419	0	36	-1.0	-51.27	297.74	1.18	-50.09
CN1CC(NC(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004659419	1	36	-1.0	-51.33	297.80	1.20	-50.13
CC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004659420	0	41	-1.0	-48.49	343.40	5.57	-42.92
CC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004659420	1	41	-1.0	-48.48	343.46	5.59	-42.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCCC21	REAL250004659422	0	33	-1.0	-38.10	276.58	4.14	-33.96
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCCC21	REAL250004659422	1	33	-1.0	-38.15	276.65	4.15	-34.00
CC(C)N1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659423	0	38	-1.0	-49.40	322.18	2.55	-46.85
CC(C)N1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659423	1	38	-1.0	-49.46	322.24	2.57	-46.89
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CCC1	REAL250004659424	0	42	-1.0	-45.98	337.92	6.26	-39.72
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1CCC1	REAL250004659424	1	42	-1.0	-45.98	337.98	6.27	-39.71
CNC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659425	0	36	-1.0	-58.45	298.84	2.02	-56.43
CNC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659425	1	36	-1.0	-58.48	298.88	2.04	-56.44
CC1=CC=C(CC(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659426	0	38	-1.0	-48.92	332.61	5.10	-43.82
CC1=CC=C(CC(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659426	1	38	-1.0	-48.91	332.67	5.11	-43.80
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC(F)F)N=C1	REAL250004659427	0	32	-1.0	-52.37	289.81	2.25	-50.12
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC(F)F)N=C1	REAL250004659427	1	32	-1.0	-52.35	289.76	2.23	-50.12
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2F)CC1	REAL250004659428	0	36	-1.0	-46.23	310.40	4.70	-41.53
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2F)CC1	REAL250004659428	1	36	-1.0	-46.25	310.45	4.71	-41.54
CC(CCC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659429	0	43	-1.0	-46.63	337.16	4.69	-41.94
CC(CCC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659429	1	43	-1.0	-46.66	337.22	4.70	-41.96
CSCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659430	0	32	-1.0	-37.51	294.49	2.46	-35.05
CSCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659430	1	32	-1.0	-37.48	294.56	2.47	-35.01
CSCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659431	0	35	-1.0	-50.15	297.56	4.58	-45.57
CSCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659431	1	35	-1.0	-50.20	297.61	4.60	-45.60
CSCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659432	0	35	-1.0	-38.51	305.34	4.98	-33.53
CSCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659432	1	35	-1.0	-38.47	305.40	5.00	-33.47
CC1=CC=C(C(C)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659433	0	41	-1.0	-47.97	337.59	5.51	-42.46
CC1=CC=C(C(C)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659433	1	41	-1.0	-47.99	337.65	5.53	-42.46
CCCCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004659434	0	41	-1.0	-45.55	335.89	2.94	-42.61
CCCCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004659434	1	41	-1.0	-45.52	335.94	2.96	-42.56
CCOC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004659435	0	41	-1.0	-47.21	337.60	4.41	-42.80
CCOC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004659435	1	41	-1.0	-47.22	337.65	4.43	-42.79
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)N=N1	REAL250004659436	0	29	-1.0	-47.59	279.06	1.56	-46.03
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)N=N1	REAL250004659436	1	29	-1.0	-47.56	279.11	1.58	-45.98
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2CCCC2)=C1	REAL250004659437	0	39	-1.0	-47.38	317.66	3.98	-43.40
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2CCCC2)=C1	REAL250004659437	1	39	-1.0	-47.42	317.72	4.00	-43.42
NC(=O)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659438	0	29	-1.0	-47.14	275.38	-1.65	-48.79
NC(=O)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659438	1	29	-1.0	-47.12	275.32	-1.66	-48.78
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL250004659439	0	36	-1.0	-46.27	314.97	0.62	-45.65
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL250004659439	1	36	-1.0	-46.27	315.03	0.64	-45.63
O=C(NC1=CSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659440	0	26	-1.0	-35.18	253.60	2.08	-33.10
O=C(NC1=CSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659440	1	26	-1.0	-35.25	253.54	2.06	-33.19
NC(=O)NCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659441	0	37	-1.0	-53.35	315.90	-2.44	-55.79
NC(=O)NCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659441	1	37	-1.0	-53.37	315.96	-2.42	-55.79
CCC(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659442	0	37	-1.0	-35.04	301.25	2.91	-32.13
CCC(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659442	1	37	-1.0	-35.05	301.31	2.92	-32.13
O=C(NC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659443	0	33	-1.0	-35.37	283.90	2.89	-32.48
O=C(NC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659443	1	33	-1.0	-35.32	283.97	2.89	-32.43
CCC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659444	0	41	-1.0	-47.00	320.49	4.41	-42.59
CCC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659444	1	41	-1.0	-47.05	320.55	4.43	-42.62
CCC(C1=CC=NC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659445	0	40	-1.0	-48.41	324.19	5.84	-42.57
CCC(C1=CC=NC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659445	1	40	-1.0	-48.41	324.25	5.85	-42.56
CSCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659446	0	35	-1.0	-46.36	305.16	3.46	-42.90
CSCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659446	1	35	-1.0	-46.35	305.22	3.48	-42.87
CSCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659447	0	35	-1.0	-35.44	315.75	3.26	-32.18
CSCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659447	1	35	-1.0	-35.39	315.82	3.28	-32.11
COC1COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659448	0	37	-1.0	-46.39	302.93	0.25	-46.14
COC1COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659448	1	37	-1.0	-46.41	302.99	0.27	-46.14
C=C(Cl)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659449	0	26	-1.0	-35.57	259.34	1.32	-34.25
C=C(Cl)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659449	1	26	-1.0	-35.57	259.41	1.33	-34.24
CSCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659450	0	35	-1.0	-48.65	306.90	3.24	-45.41
CSCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659450	1	35	-1.0	-48.70	306.96	3.26	-45.44
CSCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659451	0	35	-1.0	-36.38	317.50	3.04	-33.34
CSCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659451	1	35	-1.0	-36.37	317.56	3.05	-33.32
CC1=NOC(C)=C1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659452	0	40	-1.0	-53.79	333.77	4.01	-49.78
CC1=NOC(C)=C1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659452	1	40	-1.0	-53.83	333.83	4.03	-49.80
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=CC=CC=C2O1	REAL250004659453	0	38	-1.0	-52.28	328.47	4.76	-47.52
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=CC=CC=C2O1	REAL250004659453	1	38	-1.0	-52.29	328.53	4.77	-47.52
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(C)=N1	REAL250004659454	1	35	-1.0	-47.06	305.55	2.67	-44.39
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NC(C)=N1	REAL250004659454	1	35	-1.0	-47.08	305.61	2.69	-44.39
CCC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659455	0	41	-1.0	-48.12	343.47	5.69	-42.43
CCC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659455	1	41	-1.0	-48.12	343.53	5.70	-42.42
O=C(CCCC1=N[N-]N=N1)N1CCCC1C(=O)NC1CC1	REAL250004659456	0	40	-1.0	-58.45	329.46	4.00	-54.45
O=C(CCCC1=NN=N[N-]1)N1CCCC1C(=O)NC1CC1	REAL250004659456	1	40	-1.0	-58.51	329.52	4.02	-54.49
CNC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659457	0	36	-1.0	-58.41	298.83	2.05	-56.36
CNC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659457	1	36	-1.0	-58.44	298.89	2.06	-56.38
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004659460	0	35	-1.0	-35.78	282.59	5.30	-30.48
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004659460	1	35	-1.0	-35.76	282.65	5.33	-30.43
CN(C)C1=NC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659461	0	37	-1.0	-48.14	319.04	4.50	-43.64
CN(C)C1=NC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659461	1	37	-1.0	-48.16	319.10	4.52	-43.64
CCC1=NN=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659462	0	37	-1.0	-56.65	317.63	4.17	-52.48
CCC1=NN=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659462	1	37	-1.0	-56.66	317.69	4.18	-52.48
CC1CC(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659463	0	41	-1.0	-46.18	318.67	4.78	-41.40
CC1CC(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659463	1	41	-1.0	-46.19	318.72	4.80	-41.39
C#CCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659464	0	31	-1.0	-50.46	291.15	3.09	-47.37
C#CCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659464	1	31	-1.0	-50.43	291.21	3.11	-47.32
C#CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659465	0	31	-1.0	-37.51	301.74	2.88	-34.63
C#CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659465	1	31	-1.0	-37.46	301.81	2.90	-34.56
NC(=O)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659466	0	36	-1.0	-51.98	314.31	-0.24	-52.22
NC(=O)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659466	1	36	-1.0	-51.92	314.25	-0.25	-52.17
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004659467	0	33	-1.0	-48.36	273.66	1.69	-46.67
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004659467	1	33	-1.0	-48.35	273.71	1.71	-46.64
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004659468	0	33	-1.0	-40.55	281.05	1.90	-38.65
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004659468	1	33	-1.0	-40.53	281.11	1.91	-38.62
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)(F)F)C1	REAL250004659469	0	33	-1.0	-47.60	287.33	2.35	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)(F)F)C1	REAL250004659469	1	33	-1.0	-47.54	287.39	2.37	-45.17
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004659470	0	36	-1.0	-47.02	316.20	0.77	-46.25
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004659470	1	36	-1.0	-47.03	316.26	0.78	-46.25
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCC1	REAL250004659471	0	39	-1.0	-45.76	311.19	0.80	-44.96
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCC1	REAL250004659471	1	39	-1.0	-45.75	311.24	0.82	-44.93
CC(=O)NCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004659473	0	40	-1.0	-52.73	329.66	0.31	-52.42
CC(=O)NCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004659473	1	40	-1.0	-52.75	329.72	0.33	-52.42
CC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659474	0	33	-1.0	-48.88	282.82	1.39	-47.49
CC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659474	1	33	-1.0	-48.93	282.87	1.40	-47.53
CC1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659475	0	33	-1.0	-36.76	292.43	1.14	-35.62
CC1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659475	1	33	-1.0	-36.75	292.49	1.15	-35.60
CCC(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659476	0	41	-1.0	-45.50	318.43	0.76	-44.74
CCC(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659476	1	41	-1.0	-45.46	318.49	0.77	-44.69
CCCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659477	0	38	-1.0	-45.69	307.61	0.19	-45.50
CCCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659477	1	38	-1.0	-45.68	307.67	0.21	-45.47
CCCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659478	0	38	-1.0	-36.04	318.20	-0.01	-36.05
CCCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659478	1	38	-1.0	-35.92	318.27	0.00	-35.92
O=C(NCC1=CNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659479	0	29	-1.0	-40.86	269.04	0.83	-40.03
O=C(NCC1=CNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659479	1	29	-1.0	-40.85	269.10	0.83	-40.02
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CC=C1	REAL250004659481	0	37	-1.0	-47.66	314.21	2.40	-45.26
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CC=C1	REAL250004659481	1	37	-1.0	-47.65	314.26	2.41	-45.24
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CNN=C2)CC1	REAL250004659482	0	39	-1.0	-51.39	316.80	3.64	-47.75
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CNN=C2)CC1	REAL250004659482	1	39	-1.0	-51.38	316.85	3.66	-47.72
O=C(CCCC1=N[N-]N=N1)NC1=C2N=CNC2=CC=C1	REAL250004659483	0	32	-1.0	-51.65	278.21	3.02	-48.63
O=C(CCCC1=NN=N[N-]1)NC1=C2N=CNC2=CC=C1	REAL250004659483	1	32	-1.0	-51.64	278.26	3.03	-48.61
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC(F)=C2)CC1	REAL250004659484	0	36	-1.0	-51.60	313.64	4.80	-46.80
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC(F)=C2)CC1	REAL250004659484	1	36	-1.0	-51.60	313.70	4.82	-46.78
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(SC=C2)S1	REAL250004659485	0	28	-1.0	-47.48	275.35	3.00	-44.48
CN1C=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659486	0	33	-1.0	-50.00	296.93	-0.02	-50.02
CN1C=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659486	1	33	-1.0	-49.97	296.99	-0.01	-49.98
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CSC=C1	REAL250004659487	0	33	-1.0	-47.31	298.74	0.09	-47.22
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CSC=C1	REAL250004659487	1	33	-1.0	-47.37	298.80	0.10	-47.27
CN(CC1=CN=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004659488	0	33	-1.0	-53.16	286.61	1.90	-51.26
CN(CC1=CN=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004659488	1	33	-1.0	-53.15	286.66	1.92	-51.23
CN(CC1=CN=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659489	0	33	-1.0	-40.90	294.57	2.32	-38.58
CN(CC1=CN=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659489	1	33	-1.0	-40.84	294.64	2.33	-38.51
CN(CC1=NOC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004659490	0	31	-1.0	-56.08	271.89	2.91	-53.17
CN(CC1=NOC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004659490	1	31	-1.0	-56.06	271.95	2.92	-53.14
CN(CC1=NOC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659491	0	31	-1.0	-42.30	279.85	3.31	-38.99
CN(CC1=NOC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659491	1	31	-1.0	-42.29	279.92	3.33	-38.96
COCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659492	0	36	-1.0	-47.21	297.52	2.53	-44.68
COCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659492	1	36	-1.0	-47.23	297.57	2.55	-44.68
COCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659493	0	36	-1.0	-37.79	304.43	2.70	-35.09
COCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659493	1	36	-1.0	-37.77	304.49	2.70	-35.07
N#CCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659494	0	33	-1.0	-51.79	297.48	3.46	-48.33
N#CCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659494	1	33	-1.0	-51.78	297.43	3.44	-48.34
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=N2)N=C1	REAL250004659495	0	35	-1.0	-51.91	308.40	3.86	-48.05
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=N2)N=C1	REAL250004659495	1	35	-1.0	-51.89	308.34	3.85	-48.04
CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659496	0	40	-1.0	-46.38	317.40	3.69	-42.69
CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659496	1	40	-1.0	-46.39	317.46	3.71	-42.68
CC(C)(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659497	0	40	-1.0	-34.76	328.00	3.49	-31.27
CC(C)(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659497	1	40	-1.0	-34.71	328.06	3.50	-31.21
CC1=NOC(C)=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659498	0	37	-1.0	-46.59	309.96	3.18	-43.41
CC1=NOC(C)=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659498	1	37	-1.0	-46.58	310.02	3.20	-43.38
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659499	0	33	-1.0	-48.24	299.94	3.87	-44.37
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659499	1	33	-1.0	-48.26	299.99	3.89	-44.37
O=C(CCCC1=N[N-]N=N1)NC1CSC2=CC=CC=C21	REAL250004659500	0	34	-1.0	-45.35	302.30	4.42	-40.93
O=C(CCCC1=NN=N[N-]1)NC1CSC2=CC=CC=C21	REAL250004659500	1	34	-1.0	-45.40	302.36	4.43	-40.97
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(COCC2)S1	REAL250004659501	0	33	-1.0	-46.38	292.12	1.70	-44.68
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(COCC2)S1	REAL250004659501	1	33	-1.0	-46.35	292.17	1.72	-44.63
C=CCCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659502	0	41	-1.0	-47.61	336.07	6.25	-41.36
C=CCCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659502	1	41	-1.0	-47.60	336.13	6.27	-41.33
CC(CCC1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659503	0	44	-1.0	-46.78	346.13	5.61	-41.17
CC(CCC1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659503	1	44	-1.0	-46.79	346.19	5.63	-41.16
CC(C)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659504	0	40	-1.0	-46.35	322.73	4.07	-42.28
CC(C)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659504	1	40	-1.0	-46.36	322.79	4.09	-42.27
CC(C)CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659505	0	40	-1.0	-34.79	333.33	3.87	-30.92
CC(C)CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659505	1	40	-1.0	-34.82	333.40	3.88	-30.94
CCC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659506	0	38	-1.0	-46.01	314.97	4.95	-41.06
CCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659506	1	38	-1.0	-45.97	315.03	4.96	-41.01
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C2CCOC21	REAL250004659507	0	40	-1.0	-45.42	310.65	3.66	-41.76
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C2CCOC21	REAL250004659507	1	40	-1.0	-45.39	310.71	3.68	-41.71
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659508	0	36	-1.0	-49.13	314.06	-0.02	-49.15
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659508	1	36	-1.0	-49.16	314.11	-0.01	-49.17
CC(CNC(=O)CCCC1=N[N-]N=N1)CC1(C)OCCO1	REAL250004659509	0	43	-1.0	-47.92	340.58	2.48	-45.44
CC(CNC(=O)CCCC1=NN=N[N-]1)CC1(C)OCCO1	REAL250004659509	1	43	-1.0	-47.92	340.63	2.49	-45.43
O=C(NC1CC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659511	0	36	-1.0	-35.16	296.83	3.40	-31.76
O=C(NC1CC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659511	1	36	-1.0	-35.11	296.90	3.40	-31.71
CCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659513	0	31	-1.0	-52.18	282.98	3.53	-48.65
CCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659513	1	31	-1.0	-52.13	282.92	3.52	-48.61
O=C(CCCC1=N[N-]N=N1)NCCN1CC=CC1	REAL250004659514	1	35	-1.0	-48.11	292.04	0.14	-47.97
O=C(CCCC1=NN=N[N-]1)NCCN1CC=CC1	REAL250004659514	1	35	-1.0	-48.11	292.10	0.16	-47.95
O=C(NCCN1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659515	0	35	-1.0	-35.72	300.92	-0.25	-35.97
O=C(NCCN1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659515	1	35	-1.0	-35.66	300.99	-0.26	-35.92
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)CCCC1=O	REAL250004659516	0	38	-1.0	-56.04	321.45	1.57	-54.47
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)CCCC1=O	REAL250004659516	1	38	-1.0	-56.07	321.51	1.58	-54.49
O=C(CCCC1=N[N-]N=N1)NCCCOCC1CCOC1	REAL250004659517	0	43	-1.0	-48.20	352.30	1.44	-46.76
O=C(CCCC1=NN=N[N-]1)NCCCOCC1CCOC1	REAL250004659517	1	43	-1.0	-48.19	352.36	1.45	-46.74
CC1=CC=CC(C(C)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659518	0	41	-1.0	-47.94	337.59	5.49	-42.45
CC1=CC=CC(C(C)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659518	1	41	-1.0	-47.99	337.64	5.51	-42.48
CC(C)C1=NN=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659519	0	40	-1.0	-56.44	337.78	4.60	-51.84
CC(C)C1=NN=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659519	1	40	-1.0	-56.45	337.83	4.62	-51.83
O=C(CCCC1=N[N-]N=N1)NNC1=C2NC=NC2=NC=N1	REAL250004659520	0	32	-1.0	-52.83	287.73	2.72	-50.11
O=C(CCCC1=NN=N[N-]1)NNC1=C2NC=NC2=NC=N1	REAL250004659520	1	32	-1.0	-52.84	287.78	2.73	-50.11
O=C(CCCC1=N[N-]N=N1)N1CC2C1C1CCC2C1	REAL250004659521	0	37	-1.0	-49.54	283.70	5.64	-43.90
O=C(CCCC1=NN=N[N-]1)N1CC2C1C1CCC2C1	REAL250004659521	1	37	-1.0	-49.54	283.76	5.65	-43.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C1C1CCC2C1	REAL250004659522	0	37	-1.0	-37.50	300.08	5.15	-32.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C1C1CCC2C1	REAL250004659522	1	37	-1.0	-37.42	300.15	5.18	-32.24
CC(C)(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004659523	0	39	-1.0	-47.41	332.52	0.82	-46.59
CC(C)(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004659523	1	39	-1.0	-47.41	332.58	0.84	-46.57
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004659524	0	37	-1.0	-47.01	305.51	3.15	-43.86
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004659524	1	37	-1.0	-47.00	305.57	3.17	-43.83
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004659525	0	35	-1.0	-49.22	300.78	2.05	-47.17
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004659525	1	35	-1.0	-49.20	300.72	2.03	-47.17
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004659526	0	35	-1.0	-39.44	311.34	1.83	-37.61
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004659526	1	35	-1.0	-39.44	311.41	1.86	-37.58
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659527	0	34	-1.0	-46.89	297.47	2.38	-44.51
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659527	1	34	-1.0	-46.96	297.53	2.39	-44.57
CCC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659528	0	34	-1.0	-37.30	308.07	2.17	-35.13
CCC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659528	1	34	-1.0	-37.26	308.13	2.17	-35.09
CC1=NC=CN1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659529	0	41	-1.0	-53.93	343.81	4.39	-49.54
CC1=NC=CN1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659529	1	41	-1.0	-53.93	343.86	4.41	-49.52
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=NC=CC=N2)N=C1	REAL250004659530	0	34	-1.0	-56.53	303.96	4.26	-52.27
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=NC=CC=N2)N=C1	REAL250004659530	1	34	-1.0	-56.55	303.91	4.25	-52.30
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(F)=C1	REAL250004659531	0	33	-1.0	-48.19	296.33	0.70	-47.49
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(F)=C1	REAL250004659531	1	33	-1.0	-48.19	296.39	0.72	-47.47
CC(O)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659532	0	41	-1.0	-48.15	320.65	1.06	-47.09
CC(O)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659532	1	41	-1.0	-48.10	320.71	1.07	-47.03
CC1CC2CCCCC2N1C(=O)CCCC1=N[N-]N=N1	REAL250004659533	0	42	-1.0	-47.26	316.68	5.73	-41.53
CC1CC2CCCCC2N1C(=O)CCCC1=NN=N[N-]1	REAL250004659533	1	42	-1.0	-47.32	316.74	5.75	-41.57
CC1=CC(Cl)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004659534	0	33	-1.0	-48.11	300.12	1.88	-46.23
CC1=CC(Cl)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004659534	1	33	-1.0	-48.14	300.18	1.90	-46.24
CC1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659535	0	35	-1.0	-36.16	288.65	4.44	-31.72
CC1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659535	1	35	-1.0	-36.18	288.72	4.44	-31.74
CCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659536	0	35	-1.0	-35.85	296.34	0.87	-34.98
CCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659536	1	35	-1.0	-35.77	296.40	0.88	-34.89
CC1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659537	0	33	-1.0	-45.15	271.29	4.08	-41.07
CC1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659537	1	33	-1.0	-45.17	271.35	4.09	-41.08
CC1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659538	0	33	-1.0	-33.94	279.53	4.25	-29.69
CC1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659538	1	33	-1.0	-33.92	279.60	4.26	-29.66
CC1=NNC(=S)N1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659539	0	35	-1.0	-59.01	317.41	3.16	-55.85
CC1=NNC(=S)N1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659539	1	35	-1.0	-59.03	317.47	3.17	-55.86
CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004659540	0	38	-1.0	-45.93	288.85	4.69	-41.24
CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004659540	1	38	-1.0	-45.89	288.91	4.70	-41.19
CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004659541	0	38	-1.0	-35.46	297.46	4.93	-30.53
CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004659541	1	38	-1.0	-35.45	297.53	4.93	-30.52
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCOCC1	REAL250004659542	0	43	-1.0	-47.68	349.30	1.54	-46.14
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCOCC1	REAL250004659542	1	43	-1.0	-47.67	349.35	1.55	-46.12
CC(C)CCN(CCC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004659543	0	49	-1.0	-46.33	378.37	7.59	-38.74
CC(C)CCN(CCC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004659543	1	49	-1.0	-46.35	378.42	7.60	-38.75
CCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004659546	0	37	-1.0	-50.12	312.70	4.27	-45.85
CCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004659546	1	37	-1.0	-50.14	312.75	4.28	-45.86
CCN(CCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004659547	0	40	-1.0	-48.52	328.80	5.38	-43.14
CCN(CCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004659547	1	40	-1.0	-48.51	328.86	5.40	-43.11
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(O)C1	REAL250004659548	0	39	-1.0	-48.90	312.25	0.54	-48.36
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(O)C1	REAL250004659548	1	39	-1.0	-48.88	312.31	0.56	-48.32
CC1=NOC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)C=C12	REAL250004659549	0	33	-1.0	-50.62	292.76	0.37	-50.25
CC1=NOC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)C=C12	REAL250004659549	1	33	-1.0	-50.65	292.82	0.38	-50.27
COCCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004659550	0	36	-1.0	-49.33	309.46	3.17	-46.16
COCCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004659550	1	36	-1.0	-49.35	309.52	3.18	-46.17
COCCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004659551	0	41	-1.0	-51.92	344.22	3.45	-48.47
COCCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004659551	1	41	-1.0	-51.95	344.28	3.47	-48.48
CC(CNC(=O)CCCC1=N[N-]N=N1)CN1CCOCC1	REAL250004659552	0	44	-1.0	-47.40	346.82	0.78	-46.62
CC(CNC(=O)CCCC1=NN=N[N-]1)CN1CCOCC1	REAL250004659552	1	44	-1.0	-47.44	346.88	0.79	-46.65
CC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659553	0	41	-1.0	-47.11	315.40	4.05	-43.06
CC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659553	1	41	-1.0	-47.10	315.45	4.06	-43.04
O=C(CCCC1=N[N-]N=N1)N1CCC(CC2=CC=CC=C2)C1	REAL250004659554	0	42	-1.0	-47.65	343.60	7.16	-40.49
O=C(CCCC1=NN=N[N-]1)N1CCC(CC2=CC=CC=C2)C1	REAL250004659554	1	42	-1.0	-47.66	343.66	7.18	-40.48
N#CCN1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659556	0	41	-1.0	-50.21	336.40	1.81	-48.40
N#CCN1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659556	1	41	-1.0	-50.21	336.46	1.82	-48.39
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL250004659557	0	35	-1.0	-35.97	285.88	4.17	-31.80
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL250004659557	1	35	-1.0	-35.91	285.94	4.17	-31.74
CC1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659558	0	38	-1.0	-45.48	292.16	4.83	-40.65
CC1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659558	1	38	-1.0	-45.48	292.22	4.85	-40.63
CC1CCC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659559	0	38	-1.0	-34.94	300.29	5.00	-29.94
CC1CCC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659559	1	38	-1.0	-34.91	300.36	5.00	-29.91
CCC(C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659560	0	40	-1.0	-46.79	317.36	4.18	-42.61
CCC(C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659560	1	40	-1.0	-46.75	317.42	4.20	-42.55
CCC(C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659561	0	40	-1.0	-35.49	327.95	4.02	-31.47
CCC(C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659561	1	40	-1.0	-35.53	328.02	4.03	-31.50
COC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659562	0	35	-1.0	-36.24	294.55	0.61	-35.63
COC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659562	1	35	-1.0	-36.25	294.62	0.62	-35.63
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004659563	0	41	-1.0	-46.64	324.36	2.15	-44.49
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004659563	1	41	-1.0	-46.63	324.42	2.16	-44.47
COCCOCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659564	0	39	-1.0	-47.89	327.20	0.70	-47.19
COCCOCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659564	1	39	-1.0	-47.88	327.26	0.72	-47.16
CC1=CC(C)=C(NNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004659565	0	40	-1.0	-46.66	327.07	5.47	-41.19
CC1=CC(C)=C(NNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004659565	1	40	-1.0	-46.64	327.13	5.48	-41.16
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCC2)C1	REAL250004659566	0	39	-1.0	-47.60	304.01	5.07	-42.53
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCC2)C1	REAL250004659566	1	39	-1.0	-47.61	304.07	5.08	-42.53
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCCC2)C1	REAL250004659567	0	39	-1.0	-36.17	312.66	5.30	-30.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCCC2)C1	REAL250004659567	1	39	-1.0	-36.14	312.73	5.30	-30.84
CC1(C)C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC21	REAL250004659568	0	36	-1.0	-35.45	294.18	4.81	-30.64
CC1(C)C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC21	REAL250004659568	1	36	-1.0	-35.37	294.25	4.82	-30.55
CCCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659569	0	35	-1.0	-52.82	298.32	2.73	-50.09
CCCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659569	1	35	-1.0	-52.82	298.26	2.71	-50.11
CCCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004659570	0	35	-1.0	-39.12	308.89	2.53	-36.59
CCCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004659570	1	35	-1.0	-39.19	308.83	2.53	-36.66
CC1=CC=CC(F)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659571	0	35	-1.0	-48.09	301.40	4.01	-44.08
CC1=CC=CC(F)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659571	1	35	-1.0	-48.09	301.46	4.03	-44.06
COC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659572	0	42	-1.0	-49.47	327.63	2.57	-46.90
COC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659572	1	42	-1.0	-49.48	327.68	2.58	-46.90
CC(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659573	0	38	-1.0	-48.29	295.37	5.29	-43.00
CC(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659573	1	38	-1.0	-48.30	295.42	5.29	-43.01
CC(C)C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659574	0	38	-1.0	-37.07	303.54	5.46	-31.61
CC(C)C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659574	1	38	-1.0	-37.09	303.61	5.46	-31.63
CC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659575	0	32	-1.0	-45.87	276.11	4.24	-41.63
CC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659575	1	32	-1.0	-45.86	276.17	4.26	-41.60
CC1=C(F)C=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659576	0	32	-1.0	-34.68	286.78	4.05	-30.63
CC1=C(F)C=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659576	1	32	-1.0	-34.68	286.71	4.04	-30.64
CCC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659577	0	41	-1.0	-46.94	307.69	5.43	-41.51
CCC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659577	1	41	-1.0	-46.93	307.75	5.45	-41.48
N#CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659578	0	33	-1.0	-49.52	305.61	3.88	-45.64
N#CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659578	1	33	-1.0	-49.55	305.66	3.90	-45.65
O=C(CCCC1=N[N-]N=N1)NCCCC1=NC(=O)NN1	REAL250004659579	0	35	-1.0	-59.82	305.86	-1.54	-61.36
O=C(CCCC1=NN=N[N-]1)NCCCC1=NC(=O)NN1	REAL250004659579	1	35	-1.0	-59.82	305.92	-1.52	-61.34
O=C(NCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659580	0	25	-1.0	-37.58	242.53	0.58	-37.00
O=C(NCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659580	1	25	-1.0	-37.54	242.59	0.59	-36.95
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004659581	0	40	-1.0	-45.52	321.70	2.28	-43.24
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004659581	1	40	-1.0	-45.54	321.76	2.29	-43.25
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004659582	0	36	-1.0	-46.17	297.31	4.82	-41.35
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004659582	1	36	-1.0	-46.16	297.36	4.83	-41.33
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004659583	0	38	-1.0	-46.73	307.71	1.76	-44.97
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004659583	1	38	-1.0	-46.72	307.76	1.78	-44.94
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004659584	0	38	-1.0	-35.60	318.26	1.52	-34.08
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004659584	1	38	-1.0	-35.59	318.33	1.52	-34.07
O=C(CCCC1=N[N-]N=N1)NCCC(F)(F)F	REAL250004659585	0	28	-1.0	-48.86	258.80	1.60	-47.26
O=C(CCCC1=NN=N[N-]1)NCCC(F)(F)F	REAL250004659585	1	28	-1.0	-48.89	258.86	1.62	-47.27
O=C(NCCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659586	0	28	-1.0	-36.13	269.40	1.40	-34.73
O=C(NCCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659586	1	28	-1.0	-36.15	269.46	1.41	-34.74
CCC1CC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004659587	0	38	-1.0	-47.27	301.15	4.88	-42.39
CCC1CC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004659587	1	38	-1.0	-47.25	301.21	4.89	-42.36
CCC1CC(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659588	0	38	-1.0	-36.50	309.24	5.09	-31.41
CCC1CC(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659588	1	38	-1.0	-36.44	309.31	5.09	-31.35
NC(=O)COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659589	0	40	-1.0	-58.40	327.79	0.76	-57.64
NC(=O)COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659589	1	40	-1.0	-58.46	327.85	0.78	-57.68
CC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1C	REAL250004659590	0	38	-1.0	-52.43	321.19	4.46	-47.97
CC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1C	REAL250004659590	1	38	-1.0	-52.42	321.24	4.48	-47.94
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004659591	0	32	-1.0	-35.59	266.37	3.93	-31.66
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004659591	1	32	-1.0	-35.55	266.43	3.95	-31.60
CCSCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659592	0	38	-1.0	-46.29	326.63	4.35	-41.94
CCSCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659592	1	38	-1.0	-46.32	326.68	4.36	-41.96
CSC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659593	0	36	-1.0	-45.59	302.61	3.84	-41.75
CSC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659593	1	36	-1.0	-45.62	302.67	3.86	-41.76
CC1=C(C)SC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659594	0	34	-1.0	-47.48	304.56	1.92	-45.56
CC1=C(C)SC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659594	1	34	-1.0	-47.50	304.62	1.93	-45.57
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCOCC2	REAL250004659595	0	40	-1.0	-48.92	311.22	3.30	-45.62
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCOCC2	REAL250004659595	1	40	-1.0	-48.91	311.27	3.31	-45.60
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2CC2)CC1	REAL250004659596	0	43	-1.0	-47.99	342.78	5.16	-42.83
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2CC2)CC1	REAL250004659596	1	43	-1.0	-48.00	342.84	5.18	-42.82
CN1C=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659597	0	33	-1.0	-36.38	294.76	2.69	-33.69
CN1C=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659597	1	33	-1.0	-36.36	294.83	2.68	-33.68
CCOCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659598	0	39	-1.0	-49.02	329.92	4.06	-44.96
CCOCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659598	1	39	-1.0	-49.03	329.97	4.07	-44.96
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC(F)=C1	REAL250004659599	0	36	-1.0	-52.51	310.42	5.95	-46.56
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC(F)=C1	REAL250004659599	1	36	-1.0	-52.50	310.47	5.96	-46.54
CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659600	0	39	-1.0	-47.92	301.28	1.81	-46.11
CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659600	1	39	-1.0	-47.96	301.34	1.82	-46.14
NC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659601	0	38	-1.0	-51.01	309.68	-0.84	-51.85
NC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659601	1	38	-1.0	-51.04	309.74	-0.82	-51.86
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC2CC2)N=C1	REAL250004659602	0	36	-1.0	-53.29	308.14	3.54	-49.75
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC2CC2)N=C1	REAL250004659602	1	36	-1.0	-53.27	308.08	3.53	-49.74
CN1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659603	0	31	-1.0	-47.88	274.37	1.68	-46.20
CN1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659603	1	31	-1.0	-47.89	274.43	1.70	-46.19
CN1N=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659604	0	31	-1.0	-38.57	285.83	1.51	-37.06
CN1N=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659604	1	31	-1.0	-38.52	285.90	1.51	-37.01
O=C(CCCC1=N[N-]N=N1)N1CC(C(F)(F)F)C1	REAL250004659605	0	29	-1.0	-47.45	265.36	3.12	-44.33
O=C(CCCC1=NN=N[N-]1)N1CC(C(F)(F)F)C1	REAL250004659605	1	29	-1.0	-47.45	265.42	3.13	-44.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C(F)(F)F)C1	REAL250004659606	0	29	-1.0	-35.98	273.32	2.95	-33.03
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C(F)(F)F)C1	REAL250004659606	1	29	-1.0	-35.96	273.38	2.97	-32.99
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1=CC=CC=C1	REAL250004659607	0	39	-1.0	-49.76	329.19	1.91	-47.85
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1=CC=CC=C1	REAL250004659607	1	39	-1.0	-49.78	329.25	1.92	-47.86
O=C(NCCN1C=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659608	0	33	-1.0	-37.15	296.97	3.16	-33.99
O=C(NCCN1C=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659608	1	33	-1.0	-37.13	297.03	3.16	-33.97
CC(CCS(C)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004659609	0	36	-1.0	-53.91	314.69	0.82	-53.09
CC(CCS(C)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004659609	1	36	-1.0	-53.91	314.74	0.83	-53.08
O=C(CCCC1=N[N-]N=N1)NC1CCS(=O)C1	REAL250004659610	0	31	-1.0	-54.82	272.64	-0.34	-55.16
O=C(CCCC1=NN=N[N-]1)NC1CCS(=O)C1	REAL250004659610	1	31	-1.0	-54.84	272.70	-0.33	-55.17
O=C(NC1CCS(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659611	0	31	-1.0	-43.98	284.33	-0.61	-44.59
O=C(NC1CCS(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659611	1	31	-1.0	-43.98	284.40	-0.60	-44.58
O=C(CCCC1=N[N-]N=N1)NCCCCC1CCCC1	REAL250004659612	0	44	-1.0	-46.38	347.87	5.39	-40.99
O=C(CCCC1=NN=N[N-]1)NCCCCC1CCCC1	REAL250004659612	1	44	-1.0	-46.38	347.93	5.40	-40.98
CCCC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659613	0	44	-1.0	-46.90	329.24	6.20	-40.70
CCCC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659613	1	44	-1.0	-46.93	329.30	6.22	-40.71
CC1CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004659614	0	39	-1.0	-48.98	320.81	6.67	-42.31
CC1CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004659614	1	39	-1.0	-48.98	320.87	6.68	-42.30
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659615	0	35	-1.0	-36.20	290.73	4.13	-32.07
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659615	1	35	-1.0	-36.14	290.80	4.13	-32.01
CSC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659616	0	35	-1.0	-46.39	294.94	3.01	-43.38
CSC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659616	1	35	-1.0	-46.42	294.99	3.03	-43.39
CSC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659617	0	35	-1.0	-36.45	305.52	2.80	-33.65
CSC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659617	1	35	-1.0	-36.45	305.60	2.81	-33.64
CCC1=CC=C(CC)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659618	0	41	-1.0	-47.99	334.61	6.47	-41.52
CCC1=CC=C(CC)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659618	1	41	-1.0	-47.97	334.67	6.49	-41.48
CC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659619	0	34	-1.0	-46.64	305.33	1.94	-44.70
CC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659619	1	34	-1.0	-46.65	305.39	1.95	-44.70
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNN=C2C1	REAL250004659621	0	32	-1.0	-47.73	269.07	0.81	-46.92
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNN=C2C1	REAL250004659621	1	32	-1.0	-47.79	269.13	0.82	-46.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=NNN=C2C1	REAL250004659622	0	32	-1.0	-37.45	276.44	1.04	-36.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=NNN=C2C1	REAL250004659622	1	32	-1.0	-37.41	276.51	1.05	-36.36
CC(C)(C)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659623	0	37	-1.0	-52.10	321.10	4.61	-47.49
CC(C)(C)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659623	1	37	-1.0	-52.10	321.04	4.59	-47.51
COC(C)(C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659624	0	41	-1.0	-46.90	321.20	2.89	-44.01
COC(C)(C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659624	1	41	-1.0	-46.88	321.26	2.91	-43.97
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C=C[C@H](CO)C1	REAL250004659625	0	34	-1.0	-48.92	284.69	-0.20	-49.12
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C=C[C@H](CO)C1	REAL250004659625	1	34	-1.0	-48.92	284.75	-0.19	-49.11
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659626	0	34	-1.0	-36.84	295.21	-0.40	-37.24
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659626	1	34	-1.0	-36.79	295.28	-0.39	-37.18
O=C(NCC1=CC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659627	0	30	-1.0	-36.27	274.42	1.04	-35.23
O=C(NCC1=CC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659627	1	30	-1.0	-36.25	274.49	1.04	-35.21
O=C(CCCC1=N[N-]N=N1)N1CCC(C(F)(F)F)CC1	REAL250004659628	0	35	-1.0	-48.02	294.27	4.53	-43.49
O=C(CCCC1=NN=N[N-]1)N1CCC(C(F)(F)F)CC1	REAL250004659628	1	35	-1.0	-48.03	294.33	4.55	-43.48
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)N=C1	REAL250004659629	0	30	-1.0	-47.26	281.67	1.63	-45.63
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)N=C1	REAL250004659629	1	30	-1.0	-47.30	281.72	1.64	-45.66
CN1C=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004659630	0	35	-1.0	-52.06	301.52	4.70	-47.36
CN1C=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004659630	1	35	-1.0	-52.09	301.58	4.71	-47.38
CC(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659631	0	37	-1.0	-51.21	313.98	3.47	-47.74
CC(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659631	1	37	-1.0	-51.18	314.04	3.48	-47.70
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004659632	0	37	-1.0	-55.49	309.41	-0.29	-55.78
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004659632	1	37	-1.0	-55.50	309.47	-0.28	-55.78
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)SC	REAL250004659633	0	41	-1.0	-48.06	324.52	4.03	-44.03
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)SC	REAL250004659633	1	41	-1.0	-48.11	324.58	4.05	-44.06
CC(C)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659634	0	38	-1.0	-52.91	318.15	3.50	-49.41
CC(C)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659634	1	38	-1.0	-52.89	318.09	3.49	-49.40
CC(C)C1OCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659635	0	45	-1.0	-48.90	342.79	3.37	-45.53
CC(C)C1OCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659635	1	45	-1.0	-48.90	342.85	3.38	-45.52
CN(CC1CCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659636	0	36	-1.0	-47.47	288.49	2.55	-44.92
CN(CC1CCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659636	1	36	-1.0	-47.45	288.55	2.57	-44.88
CN(CC1CCOC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659637	0	36	-1.0	-37.67	295.55	2.97	-34.70
CN(CC1CCOC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659637	1	36	-1.0	-37.66	295.61	2.98	-34.68
COC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004659638	0	39	-1.0	-51.01	323.58	3.25	-47.76
COC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004659638	1	39	-1.0	-51.03	323.63	3.26	-47.77
CCC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659640	0	36	-1.0	-47.69	305.41	2.07	-45.62
CCC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659640	1	36	-1.0	-47.67	305.47	2.09	-45.58
CC(C)CC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659641	0	44	-1.0	-48.66	345.41	1.18	-47.48
CC(C)CC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659641	1	44	-1.0	-48.63	345.46	1.20	-47.43
C#CCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659642	0	30	-1.0	-36.80	270.72	4.60	-32.20
C#CCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659642	1	30	-1.0	-36.71	270.79	4.61	-32.10
CC(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659643	0	42	-1.0	-47.87	331.90	4.36	-43.51
CC(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659643	1	42	-1.0	-47.85	331.96	4.37	-43.48
CCCCN(CCCC)C(=O)CCCC1=N[N-]N=N1	REAL250004659644	0	43	-1.0	-46.55	343.23	6.58	-39.97
CCCCN(CCCC)C(=O)CCCC1=NN=N[N-]1	REAL250004659644	1	43	-1.0	-46.53	343.29	6.60	-39.93
COCCOCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659645	0	43	-1.0	-48.47	353.04	2.78	-45.69
COCCOCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659645	1	43	-1.0	-48.46	353.09	2.79	-45.67
CN1C=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004659646	0	36	-1.0	-51.67	312.47	-1.15	-52.82
CN1C=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004659646	1	36	-1.0	-51.68	312.42	-1.17	-52.85
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659647	0	41	-1.0	-46.51	299.34	5.29	-41.22
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659647	1	41	-1.0	-46.52	299.40	5.30	-41.22
CC1(C2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659648	0	39	-1.0	-45.71	328.06	5.70	-40.01
CC1(C2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659648	1	39	-1.0	-45.78	328.12	5.71	-40.07
CC1=NSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004659650	1	27	-1.0	-34.41	265.34	1.51	-32.90
CC1=NSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004659650	1	27	-1.0	-34.36	265.41	1.52	-32.84
O=C(NCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659651	0	32	-1.0	-34.94	282.88	2.59	-32.35
O=C(NCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659651	1	32	-1.0	-34.86	282.95	2.60	-32.26
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004659652	0	36	-1.0	-48.56	308.46	-0.13	-48.69
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004659652	1	36	-1.0	-48.59	308.52	-0.11	-48.70
O=C(CCCC1=N[N-]N=N1)NC1CC1C1CCCCC1	REAL250004659653	0	42	-1.0	-45.69	327.17	6.02	-39.67
O=C(CCCC1=NN=N[N-]1)NC1CC1C1CCCCC1	REAL250004659653	1	42	-1.0	-45.70	327.22	6.04	-39.66
CCCCOCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659654	0	45	-1.0	-49.49	373.10	2.33	-47.16
CCCCOCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659654	1	45	-1.0	-49.48	373.16	2.34	-47.14
CC1=NN(C)C(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659655	0	38	-1.0	-48.92	320.97	2.25	-46.67
CC1=NN(C)C(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659655	1	38	-1.0	-48.89	321.03	2.26	-46.63
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2C=C1	REAL250004659656	0	38	-1.0	-47.23	325.20	5.73	-41.50
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2C=C1	REAL250004659656	1	38	-1.0	-47.18	325.26	5.74	-41.44
NC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659658	0	36	-1.0	-54.28	313.63	0.25	-54.03
NC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659658	1	36	-1.0	-54.26	313.69	0.27	-53.99
CC(C#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659659	0	29	-1.0	-38.41	269.46	1.42	-36.99
CC(C#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659659	1	29	-1.0	-38.39	269.53	1.43	-36.96
CC(C)(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659660	0	41	-1.0	-49.61	338.71	0.86	-48.75
CC(C)(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659660	1	41	-1.0	-49.62	338.77	0.87	-48.75
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004659661	0	39	-1.0	-46.05	314.33	5.29	-40.76
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004659661	1	39	-1.0	-46.05	314.38	5.31	-40.74
O=C(CCCC1=N[N-]N=N1)NCCOC1CCC1	REAL250004659663	0	36	-1.0	-47.08	301.78	1.92	-45.16
O=C(CCCC1=NN=N[N-]1)NCCOC1CCC1	REAL250004659663	1	36	-1.0	-47.07	301.84	1.93	-45.14
O=C(NCCOC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659664	0	36	-1.0	-36.65	312.38	1.72	-34.93
O=C(NCCOC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659664	1	36	-1.0	-36.66	312.45	1.72	-34.94
CC(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CS1	REAL250004659665	0	38	-1.0	-46.57	327.26	4.70	-41.87
CC(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CS1	REAL250004659665	1	38	-1.0	-46.59	327.32	4.71	-41.88
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C2CCCOC21	REAL250004659666	0	43	-1.0	-48.84	332.63	3.37	-45.47
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C2CCCOC21	REAL250004659666	1	43	-1.0	-48.83	332.69	3.38	-45.45
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1F	REAL250004659667	0	32	-1.0	-48.40	300.84	4.00	-44.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1F	REAL250004659667	1	32	-1.0	-48.41	300.89	4.01	-44.40
CN(CCC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004659668	0	35	-1.0	-47.86	308.90	5.46	-42.40
CN(CCC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004659668	1	35	-1.0	-47.86	308.96	5.48	-42.38
CCC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659670	0	37	-1.0	-49.97	328.77	2.95	-47.02
CCC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659670	1	37	-1.0	-49.94	328.83	2.96	-46.98
CCC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659671	0	34	-1.0	-46.78	307.27	2.19	-44.59
CCC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659671	1	34	-1.0	-46.85	307.33	2.21	-44.64
O=C(CCCC1=N[N-]N=N1)NCC(C1CC1)C1CC1	REAL250004659673	0	39	-1.0	-45.83	322.10	4.90	-40.93
O=C(CCCC1=NN=N[N-]1)NCC(C1CC1)C1CC1	REAL250004659673	1	39	-1.0	-45.85	322.16	4.91	-40.94
O=C(NCC(C1CC1)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659674	0	39	-1.0	-34.61	332.11	4.67	-29.94
O=C(NCC(C1CC1)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659674	1	39	-1.0	-34.59	332.18	4.68	-29.91
CC(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659675	0	41	-1.0	-47.08	322.99	5.46	-41.62
CC(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659675	1	41	-1.0	-47.10	323.05	5.47	-41.63
CC(C)OC(=O)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659677	0	40	-1.0	-52.52	335.37	3.60	-48.92
CC(C)OC(=O)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659677	1	40	-1.0	-52.53	335.43	3.62	-48.91
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCC2)CC1	REAL250004659678	0	45	-1.0	-46.60	338.32	6.64	-39.96
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCC2)CC1	REAL250004659678	1	45	-1.0	-46.65	338.37	6.66	-39.99
CC(C)CC1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659679	0	47	-1.0	-47.04	343.60	6.79	-40.25
CC(C)CC1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659679	1	47	-1.0	-47.02	343.66	6.80	-40.22
CC(O)CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659680	0	38	-1.0	-47.08	309.22	0.11	-46.97
CC(O)CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659680	1	38	-1.0	-47.08	309.28	0.12	-46.96
CC(O)CC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659681	0	38	-1.0	-37.13	319.77	-0.11	-37.24
CC(O)CC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659681	1	38	-1.0	-37.12	319.83	-0.11	-37.23
CCCC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659682	0	41	-1.0	-47.47	324.89	0.57	-46.90
CCCC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659682	1	41	-1.0	-47.51	324.95	0.59	-46.92
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)C2)CC1	REAL250004659683	0	40	-1.0	-51.59	312.91	1.47	-50.12
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)C2)CC1	REAL250004659683	1	40	-1.0	-51.59	312.96	1.48	-50.11
CC(C)(C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004659685	0	41	-1.0	-47.83	331.01	3.72	-44.11
CC(C)(C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004659685	1	41	-1.0	-47.85	331.07	3.73	-44.12
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1	REAL250004659686	0	36	-1.0	-46.00	294.31	5.11	-40.89
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1	REAL250004659686	1	36	-1.0	-46.03	294.37	5.12	-40.91
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004659688	0	35	-1.0	-45.28	301.15	2.92	-42.36
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004659688	1	35	-1.0	-45.30	301.20	2.93	-42.37
CSC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659689	0	36	-1.0	-48.25	306.46	3.66	-44.59
CSC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659689	1	36	-1.0	-48.25	306.51	3.67	-44.58
O=C(NCC1=NOC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659690	0	28	-1.0	-38.69	264.66	0.56	-38.13
O=C(NCC1=NOC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659690	1	28	-1.0	-38.65	264.73	0.58	-38.07
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1O	REAL250004659691	0	36	-1.0	-47.94	295.46	-0.17	-48.11
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1O	REAL250004659691	1	36	-1.0	-47.96	295.52	-0.16	-48.12
COCCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659693	0	39	-1.0	-47.19	319.78	-1.51	-48.70
COCCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659693	1	39	-1.0	-47.15	319.84	-1.50	-48.65
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1O	REAL250004659694	0	39	-1.0	-48.67	311.05	0.60	-48.07
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1O	REAL250004659694	1	39	-1.0	-48.70	311.11	0.62	-48.08
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004659695	0	32	-1.0	-40.30	278.65	3.08	-37.22
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004659695	1	32	-1.0	-40.28	278.59	3.06	-37.22
N#CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659696	1	31	-1.0	-51.74	283.36	1.04	-50.70
N#CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659696	1	31	-1.0	-51.75	283.41	1.05	-50.70
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659697	0	38	-1.0	-48.37	301.85	4.46	-43.91
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659697	1	38	-1.0	-48.38	301.91	4.48	-43.90
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL250004659698	0	38	-1.0	-37.67	309.12	4.31	-33.36
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL250004659698	1	38	-1.0	-37.66	309.19	4.32	-33.34
O=C(CCCC1=N[N-]N=N1)N1CCC2C1C2C(F)(F)F	REAL250004659699	0	33	-1.0	-50.22	291.97	4.73	-45.49
O=C(CCCC1=NN=N[N-]1)N1CCC2C1C2C(F)(F)F	REAL250004659699	1	33	-1.0	-50.22	292.02	4.74	-45.48
CCC1=CN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004659700	0	37	-1.0	-46.42	325.36	4.32	-42.10
CCC1=CN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004659700	1	37	-1.0	-46.44	325.42	4.33	-42.11
O=C(CCCC1=N[N-]N=N1)N1CCSC2CCCCC21	REAL250004659702	0	40	-1.0	-45.23	312.49	5.81	-39.42
O=C(CCCC1=NN=N[N-]1)N1CCSC2CCCCC21	REAL250004659702	1	40	-1.0	-45.27	312.55	5.82	-39.45
O=C(CCCC1=N[N-]N=N1)NCCOCC1=CC=CC=C1	REAL250004659703	0	39	-1.0	-48.54	334.53	3.56	-44.98
O=C(CCCC1=NN=N[N-]1)NCCOCC1=CC=CC=C1	REAL250004659703	1	39	-1.0	-48.58	334.59	3.58	-45.00
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C1=CC=CC=C1	REAL250004659704	0	41	-1.0	-48.10	335.13	5.60	-42.50
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C1=CC=CC=C1	REAL250004659704	1	41	-1.0	-48.13	335.19	5.62	-42.51
CN(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004659705	0	36	-1.0	-48.98	320.57	2.14	-46.84
CN(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004659705	1	36	-1.0	-48.98	320.63	2.15	-46.83
COCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659706	0	37	-1.0	-48.90	315.92	1.27	-47.63
COCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659706	1	37	-1.0	-48.93	315.98	1.28	-47.65
CCCCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659707	0	42	-1.0	-46.95	346.79	4.37	-42.58
CCCCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659707	1	42	-1.0	-46.93	346.85	4.38	-42.55
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC1CCCC1	REAL250004659708	0	41	-1.0	-45.01	339.16	4.35	-40.66
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC1CCCC1	REAL250004659708	1	41	-1.0	-45.05	339.22	4.36	-40.69
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C(F)=C1	REAL250004659709	0	31	-1.0	-46.05	292.50	3.55	-42.50
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C(F)=C1	REAL250004659709	1	31	-1.0	-46.09	292.56	3.56	-42.53
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C)O1	REAL250004659710	0	39	-1.0	-46.06	334.60	2.39	-43.67
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C)O1	REAL250004659710	1	39	-1.0	-46.10	334.65	2.40	-43.70
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004659711	0	36	-1.0	-48.49	312.81	1.57	-46.92
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004659711	1	36	-1.0	-48.51	312.87	1.59	-46.92
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659713	0	35	-1.0	-34.73	300.93	3.05	-31.68
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659713	1	35	-1.0	-34.67	301.00	3.06	-31.61
CCOC(=O)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659714	0	37	-1.0	-52.40	315.12	2.90	-49.50
CCOC(=O)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659714	1	37	-1.0	-52.41	315.18	2.91	-49.50
CCC(C)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004659715	0	40	-1.0	-46.33	311.38	5.45	-40.88
CCC(C)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004659715	1	40	-1.0	-46.35	311.44	5.46	-40.89
CCC(C)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659716	0	40	-1.0	-35.58	317.99	6.17	-29.41
CCC(C)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659716	1	40	-1.0	-35.59	318.06	6.18	-29.41
CNC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659717	0	32	-1.0	-40.87	286.81	-1.25	-42.12
CNC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659717	1	32	-1.0	-40.83	286.88	-1.23	-42.06
CC1(C)CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659718	0	38	-1.0	-46.69	298.76	4.09	-42.60
CC1(C)CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659718	1	38	-1.0	-46.74	298.82	4.11	-42.63
CC1(C)CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659719	0	38	-1.0	-35.15	309.34	3.88	-31.27
CC1(C)CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659719	1	38	-1.0	-35.11	309.41	3.88	-31.23
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)NCC2C1	REAL250004659720	0	36	-1.0	-51.17	292.19	0.48	-50.69
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)NCC2C1	REAL250004659720	1	36	-1.0	-51.15	292.25	0.50	-50.65
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1F	REAL250004659721	0	36	-1.0	-49.12	313.22	1.24	-47.88
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1F	REAL250004659721	1	36	-1.0	-49.15	313.28	1.25	-47.90
CC(C)COCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659722	0	42	-1.0	-46.76	348.72	-0.34	-47.10
CC(C)COCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659722	1	42	-1.0	-46.80	348.78	-0.32	-47.12
O=C(CCCC1=N[N-]N=N1)NCC(O)COCC1CC1	REAL250004659723	0	40	-1.0	-47.14	338.79	-0.25	-47.39
O=C(CCCC1=NN=N[N-]1)NCC(O)COCC1CC1	REAL250004659723	1	40	-1.0	-47.15	338.85	-0.24	-47.39
N#CC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659724	0	33	-1.0	-41.12	290.40	2.84	-38.28
N#CC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659724	1	33	-1.0	-41.12	290.47	2.84	-38.28
CC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659726	0	33	-1.0	-52.80	291.63	4.58	-48.22
CC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659726	1	33	-1.0	-52.85	291.68	4.60	-48.25
COC1=CC=C(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659727	0	35	-1.0	-53.16	299.40	3.06	-50.10
COC1=CC=C(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659727	1	35	-1.0	-53.17	299.46	3.07	-50.10
CCC(C)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004659728	0	40	-1.0	-46.33	311.38	5.45	-40.88
CCC(C)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004659728	1	40	-1.0	-46.35	311.44	5.46	-40.89
CCC(C)CN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659729	0	40	-1.0	-35.58	317.99	6.17	-29.41
CCC(C)CN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659729	1	40	-1.0	-35.59	318.06	6.18	-29.41
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC2)C(=O)C1	REAL250004659730	0	37	-1.0	-48.31	301.20	3.08	-45.23
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC2)C(=O)C1	REAL250004659730	1	37	-1.0	-48.33	301.26	3.10	-45.23
CN(CC1=CC2=CC=CC=C2N1)C(=O)CCCC1=N[N-]N=N1	REAL250004659731	0	39	-1.0	-48.76	329.06	5.55	-43.21
CN(CC1=CC2=CC=CC=C2N1)C(=O)CCCC1=NN=N[N-]1	REAL250004659731	1	39	-1.0	-48.76	329.12	5.56	-43.20
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN1C	REAL250004659732	0	36	-1.0	-59.98	311.84	3.52	-56.46
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN1C	REAL250004659732	1	36	-1.0	-59.97	311.90	3.53	-56.44
CC(C)CCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004659734	0	41	-1.0	-50.82	338.64	6.05	-44.77
CC(C)CCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004659734	1	41	-1.0	-50.80	338.70	6.07	-44.73
CCC(CC)CN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004659735	0	44	-1.0	-50.91	350.28	6.59	-44.32
CCC(CC)CN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004659735	1	44	-1.0	-50.91	350.34	6.61	-44.30
O=C(CCCC1=N[N-]N=N1)NCC1CSCCS1	REAL250004659736	0	34	-1.0	-46.22	302.79	3.45	-42.77
O=C(CCCC1=NN=N[N-]1)NCC1CSCCS1	REAL250004659736	1	34	-1.0	-46.24	302.85	3.47	-42.77
NC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659737	0	33	-1.0	-48.62	298.37	-1.54	-50.16
NC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659737	1	33	-1.0	-48.66	298.43	-1.53	-50.19
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659738	0	32	-1.0	-34.73	282.62	2.34	-32.39
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659738	1	32	-1.0	-34.70	282.69	2.35	-32.35
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004659739	0	35	-1.0	-47.21	291.07	0.64	-46.57
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004659739	1	35	-1.0	-47.18	291.12	0.66	-46.52
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)N(C)C	REAL250004659740	0	35	-1.0	-40.73	302.02	0.43	-40.30
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)N(C)C	REAL250004659740	1	35	-1.0	-40.69	302.09	0.45	-40.24
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL250004659741	0	45	-1.0	-46.51	329.94	6.34	-40.17
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL250004659741	1	45	-1.0	-46.53	329.99	6.36	-40.17
CCC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659742	0	36	-1.0	-46.08	281.25	2.45	-43.63
CCC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659742	1	36	-1.0	-46.15	281.31	2.47	-43.68
CCC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659743	0	36	-1.0	-34.79	288.52	2.70	-32.09
CCC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659743	1	36	-1.0	-34.78	288.60	2.70	-32.08
CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659744	0	38	-1.0	-47.00	295.84	4.85	-42.15
CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659744	1	38	-1.0	-47.00	295.90	4.86	-42.14
CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659745	0	38	-1.0	-35.01	303.87	5.10	-29.91
CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659745	1	38	-1.0	-34.99	303.94	5.11	-29.88
CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004659746	0	36	-1.0	-50.70	307.29	2.74	-47.96
CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004659746	1	36	-1.0	-50.71	307.35	2.75	-47.96
CCC(C)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659747	0	44	-1.0	-44.90	320.67	5.76	-39.14
CCC(C)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659747	1	44	-1.0	-44.92	320.72	5.78	-39.14
CC(C)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659748	0	39	-1.0	-47.15	323.87	3.57	-43.58
CC(C)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659748	1	39	-1.0	-47.20	323.92	3.58	-43.62
COC1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659749	0	39	-1.0	-49.69	314.05	2.28	-47.41
COC1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659749	1	39	-1.0	-49.68	314.11	2.30	-47.38
CC(C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659750	0	38	-1.0	-45.92	307.46	4.10	-41.82
CC(C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659750	1	38	-1.0	-45.93	307.51	4.12	-41.81
CC(C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004659751	0	38	-1.0	-34.82	318.26	3.90	-30.92
CC(C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004659751	1	38	-1.0	-34.78	318.33	3.90	-30.88
CC(C)N1C(=O)CC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004659752	0	38	-1.0	-53.79	319.38	1.52	-52.27
CC(C)N1C(=O)CC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004659752	1	38	-1.0	-53.81	319.44	1.53	-52.28
CCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659754	0	34	-1.0	-35.89	281.70	4.57	-31.32
CCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659754	1	34	-1.0	-35.84	281.77	4.58	-31.26
CC(CC#N)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659755	0	32	-1.0	-44.83	281.54	4.13	-40.70
CC(CC#N)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659755	1	32	-1.0	-44.79	281.61	4.15	-40.64
CC(C1=CC=CC(O)=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659756	0	39	-1.0	-48.15	319.58	3.67	-44.48
CC(C1=CC=CC(O)=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659756	1	39	-1.0	-48.16	319.64	3.69	-44.47
CSCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659757	0	38	-1.0	-46.47	318.64	5.40	-41.07
CSCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659757	1	38	-1.0	-46.52	318.69	5.41	-41.11
CCSCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659758	0	41	-1.0	-46.51	340.10	6.28	-40.23
CCSCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659758	1	41	-1.0	-46.53	340.16	6.30	-40.23
CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004659759	0	34	-1.0	-44.89	286.87	2.02	-42.87
CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004659759	1	34	-1.0	-44.90	286.92	2.04	-42.86
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC	REAL250004659760	0	34	-1.0	-37.05	297.45	1.80	-35.25
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC	REAL250004659760	1	34	-1.0	-37.10	297.52	1.82	-35.28
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CC=NC=C1	REAL250004659761	0	35	-1.0	-49.79	311.39	1.15	-48.64
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CC=NC=C1	REAL250004659761	1	35	-1.0	-49.85	311.45	1.17	-48.68
NC(=O)NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659762	0	33	-1.0	-68.70	292.41	-2.45	-71.15
NC(=O)NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659762	1	33	-1.0	-68.67	292.47	-2.43	-71.10
CCOC(CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004659763	0	44	-1.0	-48.09	349.74	3.21	-44.88
CCOC(CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004659763	1	44	-1.0	-48.09	349.80	3.22	-44.87
CN(C)C(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659764	0	40	-1.0	-56.43	338.32	2.63	-53.80
CN(C)C(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659764	1	40	-1.0	-56.42	338.38	2.65	-53.77
O=C(CCCC1=NN=N[N-]1)NC1=NN(CC(F)F)C=C1	REAL250004659765	0	32	-1.0	-50.65	288.47	3.28	-47.37
O=C(CCCC1=N[N-]N=N1)NC1=NN(CC(F)F)C=C1	REAL250004659765	1	32	-1.0	-50.62	288.41	3.27	-47.35
CCCCC(CCC)NC(=O)CCCC1=N[N-]N=N1	REAL250004659766	0	43	-1.0	-46.31	338.77	5.15	-41.16
CCCCC(CCC)NC(=O)CCCC1=NN=N[N-]1	REAL250004659766	1	43	-1.0	-46.32	338.82	5.17	-41.15
CC1C(C2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659767	0	42	-1.0	-48.70	337.35	6.97	-41.73
CC1C(C2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659767	1	42	-1.0	-48.75	337.41	6.99	-41.76
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004659769	0	38	-1.0	-46.78	323.32	5.01	-41.77
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004659769	1	38	-1.0	-46.75	323.37	5.03	-41.72
CC1CC(C)(C)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659770	0	44	-1.0	-47.03	334.75	4.89	-42.14
CC1CC(C)(C)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659770	1	44	-1.0	-47.03	334.81	4.91	-42.12
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004659771	0	42	-1.0	-48.07	323.53	2.85	-45.22
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004659771	1	42	-1.0	-48.05	323.59	2.86	-45.19
CCSC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659772	0	42	-1.0	-46.11	339.97	5.51	-40.60
CCSC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659772	1	42	-1.0	-46.14	340.03	5.52	-40.62
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)C=C1	REAL250004659773	0	36	-1.0	-48.35	305.38	3.93	-44.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)C=C1	REAL250004659773	1	36	-1.0	-48.36	305.43	3.94	-44.42
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)C=C1	REAL250004659774	0	36	-1.0	-37.94	315.97	3.71	-34.23
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)C=C1	REAL250004659774	1	36	-1.0	-37.92	316.04	3.73	-34.19
CO[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659775	0	33	-1.0	-35.98	283.49	2.01	-33.97
CO[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659775	1	33	-1.0	-35.95	283.56	2.02	-33.93
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NNN=C2C=C1	REAL250004659776	0	31	-1.0	-53.87	272.96	0.64	-53.23
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NNN=C2C=C1	REAL250004659776	1	31	-1.0	-53.86	273.02	0.65	-53.21
CCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659777	0	32	-1.0	-38.85	284.36	4.71	-34.14
CCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659777	1	32	-1.0	-38.75	284.43	4.71	-34.04
N#CCCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659778	0	36	-1.0	-49.70	309.12	5.53	-44.17
N#CCCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659778	1	36	-1.0	-49.75	309.17	5.54	-44.21
N#CCCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659779	0	36	-1.0	-40.05	316.11	6.26	-33.79
N#CCCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659779	1	36	-1.0	-39.98	316.18	6.26	-33.72
CCC1=CNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659780	0	32	-1.0	-41.10	288.02	2.22	-38.88
CCC1=CNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659780	1	32	-1.0	-41.09	288.08	2.24	-38.85
O=C(CCCC1=N[N-]N=N1)NCCCNC(=O)C1CCC1	REAL250004659781	0	42	-1.0	-54.53	348.50	1.67	-52.86
O=C(CCCC1=NN=N[N-]1)NCCCNC(=O)C1CCC1	REAL250004659781	1	42	-1.0	-54.50	348.56	1.68	-52.82
CO[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659782	0	33	-1.0	-36.04	283.44	2.02	-34.02
CO[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659782	1	33	-1.0	-36.00	283.51	2.03	-33.97
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC=C1O	REAL250004659783	0	30	-1.0	-49.38	268.93	0.69	-48.69
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC=C1O	REAL250004659783	1	30	-1.0	-49.44	268.98	0.70	-48.74
CC(C)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659784	0	43	-1.0	-46.29	326.90	4.39	-41.90
CC(C)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659784	1	43	-1.0	-46.31	326.96	4.41	-41.90
CC1=CN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659785	0	34	-1.0	-45.52	305.85	2.26	-43.26
CC1=CN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659785	1	34	-1.0	-45.58	305.91	2.27	-43.31
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659786	0	32	-1.0	-36.00	270.28	3.72	-32.28
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659786	1	32	-1.0	-36.02	270.35	3.72	-32.30
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004659787	0	35	-1.0	-48.91	307.41	4.46	-44.45
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004659787	1	35	-1.0	-48.93	307.47	4.47	-44.46
CC1=CC(=O)N(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659788	0	35	-1.0	-54.04	296.27	2.83	-51.21
CC1=CC(=O)N(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659788	1	35	-1.0	-54.08	296.33	2.84	-51.24
CC(N(C)C(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004659789	0	38	-1.0	-47.63	295.17	5.31	-42.32
CC(N(C)C(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004659789	1	38	-1.0	-47.59	295.23	5.33	-42.26
CC(N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C)CC1	REAL250004659790	0	38	-1.0	-36.12	305.34	5.25	-30.87
CC(N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C)CC1	REAL250004659790	1	38	-1.0	-36.13	305.41	5.26	-30.87
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004659791	0	35	-1.0	-49.05	307.44	4.47	-44.58
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004659791	1	35	-1.0	-49.03	307.50	4.48	-44.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CCC2	REAL250004659792	0	36	-1.0	-37.25	285.80	4.89	-32.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CCC2	REAL250004659792	1	36	-1.0	-37.22	285.87	4.90	-32.32
NC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659793	0	39	-1.0	-52.66	311.25	0.97	-51.69
NC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659793	1	39	-1.0	-52.69	311.31	0.98	-51.71
NC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659794	0	39	-1.0	-52.66	311.25	0.97	-51.69
NC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659794	1	39	-1.0	-52.69	311.31	0.98	-51.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC(=O)C2=C1	REAL250004659795	0	38	-1.0	-59.86	317.94	4.96	-54.90
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC(=O)C2=C1	REAL250004659795	1	38	-1.0	-59.80	317.99	4.97	-54.83
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659796	0	32	-1.0	-35.03	277.58	2.33	-32.70
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659796	1	32	-1.0	-35.02	277.64	2.33	-32.69
CN(CC(C)(C)O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659797	0	35	-1.0	-37.22	288.62	1.55	-35.67
CN(CC(C)(C)O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659797	1	35	-1.0	-37.24	288.69	1.56	-35.68
CCN(CC(C)(C)O)C(=O)CCCC1=N[N-]N=N1	REAL250004659798	0	38	-1.0	-45.36	300.74	1.69	-43.67
CCN(CC(C)(C)O)C(=O)CCCC1=NN=N[N-]1	REAL250004659798	1	38	-1.0	-45.35	300.80	1.71	-43.64
CCN(CC(C)(C)O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659799	0	38	-1.0	-36.08	306.39	2.51	-33.57
CCN(CC(C)(C)O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659799	1	38	-1.0	-36.11	306.46	2.51	-33.60
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1=CC=CC=C1	REAL250004659802	0	39	-1.0	-49.72	326.63	6.48	-43.24
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1=CC=CC=C1	REAL250004659802	1	39	-1.0	-49.70	326.69	6.49	-43.21
CC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659803	0	31	-1.0	-47.44	279.36	1.97	-45.47
CC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659803	1	31	-1.0	-47.49	279.42	1.98	-45.51
CNC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659804	0	42	-1.0	-50.65	333.21	2.49	-48.16
CNC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659804	1	42	-1.0	-50.62	333.26	2.50	-48.12
CN1C=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659805	0	33	-1.0	-37.67	297.03	2.93	-34.74
CN1C=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659805	1	33	-1.0	-37.62	297.10	2.93	-34.69
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(Cl)C=C21	REAL250004659806	0	33	-1.0	-45.80	290.25	5.83	-39.97
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(Cl)C=C21	REAL250004659806	1	33	-1.0	-45.85	290.31	5.85	-40.00
CN(CC1=CC2=CC=CC=C2O1)C(=O)CCCC1=N[N-]N=N1	REAL250004659807	0	38	-1.0	-55.47	324.79	6.11	-49.36
CN(CC1=CC2=CC=CC=C2O1)C(=O)CCCC1=NN=N[N-]1	REAL250004659807	1	38	-1.0	-55.49	324.85	6.12	-49.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCOCC1	REAL250004659808	0	33	-1.0	-35.62	269.79	3.41	-32.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCOCC1	REAL250004659808	1	33	-1.0	-35.60	269.86	3.43	-32.17
COC1=CC(C)=NC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659809	0	36	-1.0	-48.24	316.00	1.88	-46.36
COC1=CC(C)=NC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659809	1	36	-1.0	-48.24	316.05	1.89	-46.35
CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004659810	0	33	-1.0	-47.41	283.41	1.37	-46.04
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004659810	1	33	-1.0	-47.43	283.46	1.39	-46.04
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1O	REAL250004659811	0	33	-1.0	-36.82	293.98	1.15	-35.67
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1O	REAL250004659811	1	33	-1.0	-36.79	294.04	1.17	-35.62
CN(C)CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659812	1	39	-1.0	-52.29	325.31	2.48	-49.81
CN(C)CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659812	1	39	-1.0	-52.30	325.37	2.49	-49.81
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(C)=N1	REAL250004659813	0	36	-1.0	-47.53	304.68	0.27	-47.26
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(C)=N1	REAL250004659813	1	36	-1.0	-47.52	304.73	0.28	-47.24
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=C(F)C=C2)CC1	REAL250004659814	0	36	-1.0	-48.17	310.09	5.09	-43.08
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=C(F)C=C2)CC1	REAL250004659814	1	36	-1.0	-48.18	310.14	5.11	-43.07
COC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659815	0	42	-1.0	-48.23	331.55	3.02	-45.21
COC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659815	1	42	-1.0	-48.23	331.61	3.03	-45.20
CC(C)(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004659816	0	42	-1.0	-52.15	336.26	2.66	-49.49
CC(C)(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004659816	1	42	-1.0	-52.19	336.31	2.67	-49.52
CC1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659817	0	39	-1.0	-48.58	314.29	6.48	-42.10
CC1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659817	1	39	-1.0	-48.56	314.35	6.49	-42.07
CN(CC1=NC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004659818	0	31	-1.0	-46.20	281.97	2.74	-43.46
CN(CC1=NC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004659818	1	31	-1.0	-46.22	282.03	2.75	-43.47
CCOCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659819	0	39	-1.0	-47.01	319.41	3.52	-43.49
CCOCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659819	1	39	-1.0	-47.04	319.47	3.53	-43.51
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659820	0	38	-1.0	-46.52	302.26	4.17	-42.35
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659820	1	38	-1.0	-46.51	302.32	4.19	-42.32
CC1(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL250004659821	0	38	-1.0	-35.04	312.84	3.97	-31.07
CC1(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL250004659821	1	38	-1.0	-35.04	312.91	3.99	-31.05
O=C(CCCC1=N[N-]N=N1)NCC(=O)OC1CCCCC1	REAL250004659822	0	41	-1.0	-44.95	336.24	4.14	-40.81
O=C(CCCC1=NN=N[N-]1)NCC(=O)OC1CCCCC1	REAL250004659822	1	41	-1.0	-45.00	336.30	4.16	-40.84
CNC(=O)C(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659823	0	38	-1.0	-53.50	310.15	1.44	-52.06
CNC(=O)C(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659823	1	38	-1.0	-53.48	310.21	1.45	-52.03
CCN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004659824	0	37	-1.0	-46.32	312.01	4.69	-41.63
CCN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004659824	1	37	-1.0	-46.35	312.07	4.71	-41.64
C=CCN(CC=C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659825	0	33	-1.0	-36.13	289.97	5.30	-30.83
C=CCN(CC=C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659825	1	33	-1.0	-36.10	290.03	5.30	-30.80
CC1=NN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL250004659826	0	35	-1.0	-49.23	293.44	3.37	-45.86
CC1=NN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL250004659826	1	35	-1.0	-49.27	293.50	3.38	-45.89
CN1C=CN=C(NNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004659827	0	33	-1.0	-54.91	292.23	1.18	-53.73
CN1C=CN=C(NNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004659827	1	33	-1.0	-54.94	292.29	1.19	-53.75
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCSC1	REAL250004659828	0	34	-1.0	-48.30	292.26	-0.08	-48.38
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCSC1	REAL250004659828	1	34	-1.0	-48.38	292.32	-0.07	-48.45
O=C(CCCC1=N[N-]N=N1)N1CC(OCC(F)F)C1	REAL250004659829	0	33	-1.0	-51.68	295.31	2.32	-49.36
O=C(CCCC1=NN=N[N-]1)N1CC(OCC(F)F)C1	REAL250004659829	1	33	-1.0	-51.72	295.37	2.34	-49.38
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004659830	0	38	-1.0	-46.13	302.57	3.76	-42.37
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004659830	1	38	-1.0	-46.13	302.63	3.78	-42.35
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004659831	0	38	-1.0	-34.76	311.78	3.46	-31.30
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004659831	1	38	-1.0	-34.73	311.84	3.47	-31.26
CC(C)(C)C1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659832	0	40	-1.0	-46.97	337.57	0.95	-46.02
CC(C)(C)C1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659832	1	40	-1.0	-47.01	337.63	0.97	-46.04
CCSC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659833	0	42	-1.0	-47.55	339.33	5.63	-41.92
CCSC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659833	1	42	-1.0	-47.57	339.39	5.65	-41.92
CCN1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004659834	0	39	-1.0	-50.17	327.21	4.93	-45.24
CCN1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004659834	1	39	-1.0	-50.17	327.27	4.95	-45.22
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004659835	0	35	-1.0	-36.20	288.51	4.42	-31.78
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004659835	1	35	-1.0	-36.21	288.58	4.42	-31.79
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(C2CC2)C1	REAL250004659836	0	37	-1.0	-50.85	309.23	2.22	-48.63
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(C2CC2)C1	REAL250004659836	1	37	-1.0	-50.84	309.29	2.23	-48.61
CCCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004659837	0	43	-1.0	-50.17	358.83	4.78	-45.39
CCCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004659837	1	43	-1.0	-50.23	358.89	4.79	-45.44
CC(C(=O)OC(C)(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659838	0	43	-1.0	-47.76	340.69	5.25	-42.51
CC(C(=O)OC(C)(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659838	1	43	-1.0	-47.79	340.75	5.26	-42.53
COC1=NC=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659839	0	35	-1.0	-46.92	300.93	0.85	-46.07
COC1=NC=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659839	1	35	-1.0	-46.87	300.88	0.84	-46.03
CCSC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659841	0	39	-1.0	-45.43	324.08	4.73	-40.70
CCSC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659841	1	39	-1.0	-45.46	324.14	4.74	-40.72
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)NC(=O)C2C1	REAL250004659842	0	35	-1.0	-51.09	295.03	-0.12	-51.21
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)NC(=O)C2C1	REAL250004659842	1	35	-1.0	-51.09	295.09	-0.11	-51.20
CCC1COC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004659843	0	39	-1.0	-45.66	302.45	3.20	-42.46
CCC1COC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004659843	1	39	-1.0	-45.66	302.50	3.21	-42.45
CCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659845	0	45	-1.0	-51.53	345.00	4.87	-46.66
CCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659845	1	45	-1.0	-51.58	345.05	4.88	-46.70
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1O	REAL250004659846	0	42	-1.0	-48.84	319.12	1.17	-47.67
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1O	REAL250004659846	1	42	-1.0	-48.88	319.17	1.19	-47.69
CCC(O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659847	0	38	-1.0	-47.18	314.74	0.32	-46.86
CCC(O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659847	1	38	-1.0	-47.18	314.80	0.34	-46.84
CCC(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659848	0	38	-1.0	-36.49	325.34	0.12	-36.37
CCC(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659848	1	38	-1.0	-36.49	325.40	0.13	-36.36
COC1(C)CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004659849	0	45	-1.0	-50.96	340.62	4.60	-46.36
COC1(C)CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004659849	1	45	-1.0	-50.99	340.68	4.62	-46.37
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004659850	0	45	-1.0	-46.52	349.14	3.40	-43.12
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004659850	1	45	-1.0	-46.49	349.19	3.41	-43.08
CN(CC1=CC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004659851	0	36	-1.0	-45.26	294.73	4.97	-40.29
CN(CC1=CC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004659851	1	36	-1.0	-45.29	294.78	4.99	-40.30
CN(CC1=CC=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659852	0	36	-1.0	-36.14	302.73	5.36	-30.78
CN(CC1=CC=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659852	1	36	-1.0	-36.13	302.80	5.38	-30.75
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=CC=CO2)C1	REAL250004659853	0	37	-1.0	-49.66	309.87	3.30	-46.36
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=CC=CO2)C1	REAL250004659853	1	37	-1.0	-49.67	309.93	3.32	-46.35
CC(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659854	0	44	-1.0	-46.53	334.61	6.14	-40.39
CC(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659854	1	44	-1.0	-46.57	334.67	6.16	-40.41
O=C(CCCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=NN1	REAL250004659855	0	29	-1.0	-48.87	273.17	1.73	-47.14
O=C(CCCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=NN1	REAL250004659855	1	29	-1.0	-48.86	273.23	1.74	-47.12
CC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659858	0	32	-1.0	-36.25	282.44	-1.32	-37.57
CC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659858	1	32	-1.0	-36.22	282.51	-1.29	-37.51
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(=O)N1	REAL250004659859	0	29	-1.0	-48.54	273.86	-0.80	-49.34
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(=O)N1	REAL250004659859	1	29	-1.0	-48.58	273.92	-0.78	-49.36
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004659860	0	41	-1.0	-47.67	331.60	4.07	-43.60
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004659860	1	41	-1.0	-47.70	331.66	4.09	-43.61
O=C(CCCC1=N[N-]N=N1)NC1CCCC2OCCC21	REAL250004659862	0	40	-1.0	-45.50	310.03	3.03	-42.47
O=C(CCCC1=NN=N[N-]1)NC1CCCC2OCCC21	REAL250004659862	1	40	-1.0	-45.51	310.09	3.04	-42.47
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOC2=O)CC1	REAL250004659863	0	39	-1.0	-54.84	308.62	4.31	-50.53
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOC2=O)CC1	REAL250004659863	1	39	-1.0	-54.85	308.68	4.33	-50.52
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004659864	0	36	-1.0	-45.73	294.31	4.99	-40.74
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004659864	1	36	-1.0	-45.74	294.37	5.01	-40.73
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004659865	0	42	-1.0	-46.72	336.02	2.82	-43.90
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004659865	1	42	-1.0	-46.74	336.08	2.83	-43.91
COC(=O)C1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659866	0	35	-1.0	-51.35	303.79	3.51	-47.84
COC(=O)C1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659866	1	35	-1.0	-51.37	303.85	3.53	-47.84
COC1=C(F)C=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659867	0	33	-1.0	-45.17	298.40	3.01	-42.16
COC1=C(F)C=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659867	1	33	-1.0	-45.22	298.45	3.03	-42.19
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(Cl)N=C1	REAL250004659868	0	34	-1.0	-51.12	312.35	2.90	-48.22
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(Cl)N=C1	REAL250004659868	1	34	-1.0	-51.11	312.30	2.89	-48.22
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=C(Cl)C1=O	REAL250004659869	0	32	-1.0	-56.25	297.47	2.66	-53.59
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=C(Cl)C1=O	REAL250004659869	1	32	-1.0	-56.27	297.53	2.68	-53.59
CC(CNC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659870	0	40	-1.0	-46.74	334.02	3.47	-43.27
CC(CNC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659870	1	40	-1.0	-46.77	334.07	3.49	-43.28
CC(C)C1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659871	0	37	-1.0	-46.92	325.09	2.48	-44.44
CC(C)C1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659871	1	37	-1.0	-46.93	325.15	2.50	-44.43
CN(CCOCC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659872	0	39	-1.0	-51.33	322.18	4.71	-46.62
CN(CCOCC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659872	1	39	-1.0	-51.35	322.24	4.73	-46.62
NC(=O)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659873	0	32	-1.0	-48.59	292.87	-2.29	-50.88
NC(=O)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659873	1	32	-1.0	-48.58	292.93	-2.28	-50.86
CC(O)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659874	0	35	-1.0	-36.67	298.26	1.23	-35.44
CC(O)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659874	1	35	-1.0	-36.66	298.33	1.26	-35.40
CSC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659875	0	39	-1.0	-50.01	319.73	5.37	-44.64
CSC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659875	1	39	-1.0	-50.03	319.78	5.39	-44.64
CC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004659877	0	38	-1.0	-48.31	323.29	5.02	-43.29
CC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004659877	1	38	-1.0	-48.28	323.35	5.04	-43.24
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCCCC21	REAL250004659878	0	42	-1.0	-48.52	316.93	5.39	-43.13
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCCCC21	REAL250004659878	1	42	-1.0	-48.53	316.99	5.40	-43.13
CCOCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004659879	0	45	-1.0	-46.72	357.95	3.76	-42.96
CCOCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004659879	1	45	-1.0	-46.72	358.01	3.77	-42.95
NC1=CN=NC(NNC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004659880	0	31	-1.0	-49.33	289.89	-0.36	-49.69
NC1=CN=NC(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004659880	1	31	-1.0	-49.30	289.94	-0.35	-49.65
O=C(CCCC1=N[N-]N=N1)N1CCC2(O)CCCCC2C1	REAL250004659881	0	43	-1.0	-48.40	325.55	2.84	-45.56
O=C(CCCC1=NN=N[N-]1)N1CCC2(O)CCCCC2C1	REAL250004659881	1	43	-1.0	-48.40	325.61	2.85	-45.55
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004659882	0	36	-1.0	-46.73	293.46	1.53	-45.20
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004659882	1	36	-1.0	-46.73	293.52	1.55	-45.18
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL250004659883	0	36	-1.0	-36.83	304.05	1.32	-35.51
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL250004659883	1	36	-1.0	-36.79	304.12	1.33	-35.46
CN1N=CN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659884	0	34	-1.0	-54.24	295.86	2.43	-51.81
CN1N=CN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659884	1	34	-1.0	-54.26	295.92	2.45	-51.81
CN1N=CN=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659885	0	34	-1.0	-41.02	306.46	2.22	-38.80
CN1N=CN=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659885	1	34	-1.0	-41.02	306.52	2.24	-38.78
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004659886	0	33	-1.0	-35.29	275.82	2.19	-33.10
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004659886	1	33	-1.0	-35.27	275.89	2.20	-33.07
CC(C)(C)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659887	0	38	-1.0	-45.70	302.45	-0.10	-45.80
CC(C)(C)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659887	1	38	-1.0	-45.74	302.50	-0.09	-45.83
CC(C)(C)C(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659888	0	38	-1.0	-35.70	313.04	-0.32	-36.02
CC(C)(C)C(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659888	1	38	-1.0	-35.69	313.11	-0.31	-36.00
CC1=C(C)SC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659889	0	37	-1.0	-50.78	326.06	2.67	-48.11
CC1=C(C)SC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659889	1	37	-1.0	-50.75	326.12	2.69	-48.06
CCCCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659890	0	46	-1.0	-46.02	355.28	5.50	-40.52
CCCCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659890	1	46	-1.0	-46.04	355.33	5.52	-40.52
CC1=CC(F)=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659891	0	38	-1.0	-48.90	322.33	4.78	-44.12
CC1=CC(F)=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659891	1	38	-1.0	-48.94	322.39	4.79	-44.15
CC1=CN(C)C(=O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659892	0	35	-1.0	-61.20	300.89	3.61	-57.59
CC1=CN(C)C(=O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659892	1	35	-1.0	-61.26	300.95	3.63	-57.63
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004659893	0	39	-1.0	-46.79	325.70	3.57	-43.22
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004659893	1	39	-1.0	-46.80	325.75	3.58	-43.22
CN1N=C(C2CCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659894	0	39	-1.0	-50.23	320.57	4.57	-45.66
CN1N=C(C2CCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659894	1	39	-1.0	-50.24	320.63	4.59	-45.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=N1	REAL250004659895	0	31	-1.0	-47.04	280.46	1.70	-45.34
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=N1	REAL250004659895	1	31	-1.0	-47.04	280.52	1.72	-45.32
O=C(NCC1=CC=C(F)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659896	0	31	-1.0	-37.06	291.06	1.50	-35.56
O=C(NCC1=CC=C(F)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659896	1	31	-1.0	-37.02	291.13	1.50	-35.52
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659897	0	41	-1.0	-47.57	312.18	4.99	-42.58
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659897	1	41	-1.0	-47.57	312.24	5.00	-42.57
NC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659898	0	32	-1.0	-49.77	284.24	-0.55	-50.32
NC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659898	1	32	-1.0	-49.76	284.30	-0.54	-50.30
NC1=CC=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004659899	0	32	-1.0	-39.41	294.83	-0.76	-40.17
NC1=CC=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004659899	1	32	-1.0	-39.40	294.90	-0.76	-40.16
O=C(CCCC1=N[N-]N=N1)NC1=NNC(SCCO)=N1	REAL250004659900	0	33	-1.0	-53.34	306.30	0.87	-52.47
O=C(CCCC1=NN=N[N-]1)NC1=NNC(SCCO)=N1	REAL250004659900	1	33	-1.0	-53.41	306.35	0.88	-52.53
CCSC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659901	0	42	-1.0	-48.64	342.05	6.34	-42.30
CCSC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659901	1	42	-1.0	-48.61	342.11	6.36	-42.25
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=NNC(=O)C=C1	REAL250004659902	0	32	-1.0	-48.90	293.76	-2.26	-51.16
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=NNC(=O)C=C1	REAL250004659902	1	32	-1.0	-48.86	293.82	-2.24	-51.10
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CNN=C21	REAL250004659903	0	36	-1.0	-53.98	299.59	1.66	-52.32
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CNN=C21	REAL250004659903	1	36	-1.0	-54.03	299.65	1.68	-52.35
O=C(CCCC1=N[N-]N=N1)N1CCC(C(F)F)CC1	REAL250004659904	0	35	-1.0	-50.68	288.49	4.43	-46.25
O=C(CCCC1=NN=N[N-]1)N1CCC(C(F)F)CC1	REAL250004659904	1	35	-1.0	-50.66	288.55	4.44	-46.22
O=C(CCCC1=N[N-]N=N1)NC1CCC(F)(F)C1	REAL250004659905	0	32	-1.0	-45.68	276.03	2.80	-42.88
O=C(CCCC1=NN=N[N-]1)NC1CCC(F)(F)C1	REAL250004659905	1	32	-1.0	-45.73	276.09	2.81	-42.92
O=C(NC1CCC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659906	0	32	-1.0	-36.36	286.74	2.57	-33.79
O=C(NC1CCC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659906	1	32	-1.0	-36.33	286.81	2.58	-33.75
COC1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659907	0	33	-1.0	-49.03	287.59	2.76	-46.27
COC1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659907	1	33	-1.0	-49.07	287.64	2.77	-46.30
O=C(CCCC1=N[N-]N=N1)NOCC(F)(F)F	REAL250004659908	0	26	-1.0	-52.35	252.12	2.01	-50.34
O=C(CCCC1=NN=N[N-]1)NOCC(F)(F)F	REAL250004659908	1	26	-1.0	-52.41	252.17	2.03	-50.38
O=C(NOCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659909	0	26	-1.0	-37.12	262.71	1.80	-35.32
O=C(NOCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659909	1	26	-1.0	-37.07	262.78	1.81	-35.26
CC1N(C(=O)CCCC2=N[N-]N=N2)CCOC1(C)C	REAL250004659910	0	39	-1.0	-46.75	299.97	3.34	-43.41
CC1N(C(=O)CCCC2=NN=N[N-]2)CCOC1(C)C	REAL250004659910	1	39	-1.0	-46.77	300.03	3.36	-43.41
CSCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659911	0	32	-1.0	-35.71	289.69	4.19	-31.52
CSCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659911	1	32	-1.0	-35.69	289.76	4.22	-31.47
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)(C)CC1	REAL250004659912	0	44	-1.0	-47.67	329.05	5.87	-41.80
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)(C)CC1	REAL250004659912	1	44	-1.0	-47.69	329.11	5.88	-41.81
N#CCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659913	0	32	-1.0	-59.18	291.60	4.22	-54.96
N#CCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659913	1	32	-1.0	-59.21	291.66	4.23	-54.98
CC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004659914	0	39	-1.0	-47.72	329.45	1.85	-45.87
CC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004659914	1	39	-1.0	-47.73	329.50	1.86	-45.87
CC1=CC2=NN=C(NC(=O)CCCC3=N[N-]N=N3)N2C=C1	REAL250004659915	0	34	-1.0	-63.63	298.09	6.97	-56.66
CC1=CC2=NN=C(NC(=O)CCCC3=NN=N[N-]3)N2C=C1	REAL250004659915	1	34	-1.0	-63.63	298.15	6.99	-56.64
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004659916	0	44	-1.0	-45.54	323.41	6.27	-39.27
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004659916	1	44	-1.0	-45.52	323.47	6.28	-39.24
COCCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004659917	0	42	-1.0	-53.77	345.52	2.47	-51.30
COCCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004659917	1	42	-1.0	-53.78	345.58	2.48	-51.30
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004659918	0	43	-1.0	-44.59	341.78	4.06	-40.53
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004659918	1	43	-1.0	-44.59	341.84	4.07	-40.52
CC(C)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659919	0	41	-1.0	-48.91	337.20	5.00	-43.91
CC(C)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659919	1	41	-1.0	-48.89	337.14	4.99	-43.90
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659920	0	38	-1.0	-51.74	311.42	4.24	-47.50
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659920	1	38	-1.0	-51.75	311.48	4.25	-47.50
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)N=C1	REAL250004659921	0	28	-1.0	-47.21	254.63	1.56	-45.65
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)N=C1	REAL250004659921	1	28	-1.0	-47.24	254.57	1.54	-45.70
O=C(NC1=CC=C(F)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659922	0	28	-1.0	-35.09	265.00	1.35	-33.74
O=C(NC1=CC=C(F)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659922	1	28	-1.0	-35.16	264.93	1.33	-33.83
CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004659923	0	35	-1.0	-36.06	291.47	4.36	-31.70
CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004659923	1	35	-1.0	-36.04	291.54	4.36	-31.68
CC1=CC=CC(C)=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659924	0	41	-1.0	-48.42	333.66	5.27	-43.15
CC1=CC=CC(C)=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659924	1	41	-1.0	-48.46	333.71	5.28	-43.18
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCCC2)C1	REAL250004659925	0	40	-1.0	-46.78	307.95	3.75	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCCC2)C1	REAL250004659925	1	40	-1.0	-46.78	308.00	3.76	-43.02
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004659926	0	40	-1.0	-45.15	328.12	3.45	-41.70
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004659926	1	40	-1.0	-45.16	328.18	3.47	-41.69
CCCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004659927	0	49	-1.0	-46.27	391.16	6.69	-39.58
CCCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659927	1	49	-1.0	-46.33	391.22	6.70	-39.63
CC1=CC=C2OCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004659928	0	37	-1.0	-45.83	314.26	3.34	-42.49
CC1=CC=C2OCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004659928	1	37	-1.0	-45.81	314.32	3.36	-42.45
CCC1=NOC(CC)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659929	0	40	-1.0	-45.94	339.18	3.77	-42.17
CCC1=NOC(CC)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659929	1	40	-1.0	-45.94	339.24	3.78	-42.16
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004659930	0	47	-1.0	-45.62	348.62	5.73	-39.89
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004659930	1	47	-1.0	-45.66	348.67	5.75	-39.91
CN1C=NC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659931	0	34	-1.0	-55.16	298.22	2.51	-52.65
CN1C=NC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659931	1	34	-1.0	-55.14	298.27	2.53	-52.61
CN1C=NC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004659932	0	34	-1.0	-42.75	308.81	2.31	-40.44
CN1C=NC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004659932	1	34	-1.0	-42.72	308.88	2.32	-40.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CC1CC1	REAL250004659933	0	36	-1.0	-49.32	306.89	4.46	-44.86
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CC1CC1	REAL250004659933	1	36	-1.0	-49.26	306.83	4.45	-44.81
CC(C)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659934	0	44	-1.0	-46.26	332.90	5.29	-40.97
CC(C)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659934	1	44	-1.0	-46.28	332.95	5.30	-40.98
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)OCC2C1	REAL250004659935	0	35	-1.0	-51.41	288.47	2.02	-49.39
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)OCC2C1	REAL250004659935	1	35	-1.0	-51.42	288.53	2.04	-49.38
CC(C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659936	0	47	-1.0	-46.55	356.39	6.93	-39.62
CC(C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659936	1	47	-1.0	-46.56	356.45	6.95	-39.61
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004659937	0	38	-1.0	-52.94	318.96	3.78	-49.16
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004659937	1	38	-1.0	-52.95	319.02	3.80	-49.15
CCCCC(CCC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659938	0	46	-1.0	-46.15	356.47	5.47	-40.68
CCCCC(CCC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659938	1	46	-1.0	-46.18	356.52	5.49	-40.69
CC1=CC=C(F)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659939	0	34	-1.0	-49.24	296.79	3.72	-45.52
CC1=CC=C(F)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659939	1	34	-1.0	-49.28	296.84	3.74	-45.54
CC1(C)OCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659940	0	37	-1.0	-46.92	309.46	0.84	-46.08
CC1(C)OCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659940	1	37	-1.0	-46.92	309.52	0.85	-46.07
CCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659941	0	35	-1.0	-36.81	303.84	-0.67	-37.48
CCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659941	1	35	-1.0	-36.77	303.91	-0.66	-37.43
COC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659942	0	39	-1.0	-48.19	328.93	3.48	-44.71
COC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659942	1	39	-1.0	-48.17	328.99	3.50	-44.67
CN(CC1=CC(Cl)=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004659943	0	36	-1.0	-53.39	314.16	5.36	-48.03
CN(CC1=CC(Cl)=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004659943	1	36	-1.0	-53.40	314.22	5.37	-48.03
CN(CCC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004659944	0	42	-1.0	-49.71	330.60	4.15	-45.56
CN(CCC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004659944	1	42	-1.0	-49.69	330.65	4.17	-45.52
NC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659945	0	38	-1.0	-51.14	306.96	-1.81	-52.95
NC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659945	1	38	-1.0	-51.16	307.02	-1.79	-52.95
COCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659946	0	39	-1.0	-46.95	324.57	2.28	-44.67
COCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659946	1	39	-1.0	-46.98	324.63	2.29	-44.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2COCC2=C1	REAL250004659947	0	37	-1.0	-46.95	315.05	2.78	-44.17
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2COCC2=C1	REAL250004659947	1	37	-1.0	-46.94	315.11	2.79	-44.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OCCF)=C1	REAL250004659948	0	36	-1.0	-54.81	311.20	3.72	-51.09
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OCCF)=C1	REAL250004659948	1	36	-1.0	-54.87	311.26	3.74	-51.13
O=C(CCCC1=N[N-]N=N1)NCCC1=CSC=N1	REAL250004659949	0	31	-1.0	-51.25	284.88	1.26	-49.99
O=C(CCCC1=NN=N[N-]1)NCCC1=CSC=N1	REAL250004659949	1	31	-1.0	-51.27	284.94	1.28	-49.99
CC1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659950	0	38	-1.0	-48.27	315.92	4.71	-43.56
CC1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659950	1	38	-1.0	-48.31	315.98	4.72	-43.59
CC1(C)CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659951	0	41	-1.0	-46.87	310.67	4.37	-42.50
CC1(C)CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659951	1	41	-1.0	-46.90	310.73	4.38	-42.52
CC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659952	0	32	-1.0	-50.50	281.09	4.09	-46.41
CC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659952	1	32	-1.0	-50.51	281.15	4.11	-46.40
CC1=CC(F)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004659953	0	32	-1.0	-36.83	291.76	3.90	-32.93
CC1=CC(F)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004659953	1	32	-1.0	-36.85	291.69	3.88	-32.97
CC1=C(C#N)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004659954	0	33	-1.0	-46.95	290.37	4.50	-42.45
CC1=C(C#N)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004659954	1	33	-1.0	-46.96	290.42	4.51	-42.45
CC(C)C1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659955	0	47	-1.0	-46.82	350.05	5.33	-41.49
CC(C)C1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659955	1	47	-1.0	-46.82	350.10	5.35	-41.47
CC(C)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659956	0	44	-1.0	-44.41	325.03	6.02	-38.39
CC(C)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659956	1	44	-1.0	-44.40	325.08	6.03	-38.37
O=C(CCCC1=NN=N[N-]1)NCCN1C=C([N+](=O)[O-])C=N1	REAL250004659957	0	34	-1.0	-56.20	311.81	2.19	-54.01
O=C(CCCC1=N[N-]N=N1)NCCN1C=C([N+](=O)[O-])C=N1	REAL250004659957	1	34	-1.0	-56.19	311.75	2.17	-54.02
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1O	REAL250004659958	0	36	-1.0	-49.81	292.32	-0.13	-49.94
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1O	REAL250004659958	1	36	-1.0	-49.79	292.38	-0.11	-49.90
O=C(NC1CCCCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659959	0	36	-1.0	-36.90	300.26	-0.15	-37.05
O=C(NC1CCCCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659959	1	36	-1.0	-36.88	300.32	-0.14	-37.02
O=C(CCCC1=N[N-]N=N1)N(CC1CCOC1)C1CC1	REAL250004659960	0	40	-1.0	-47.28	314.22	3.99	-43.29
O=C(CCCC1=NN=N[N-]1)N(CC1CCOC1)C1CC1	REAL250004659960	1	40	-1.0	-47.28	314.28	4.00	-43.28
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(O)C(O)=C1	REAL250004659961	0	37	-1.0	-53.36	322.36	-0.68	-54.04
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(O)C(O)=C1	REAL250004659961	1	37	-1.0	-53.36	322.42	-0.67	-54.03
CC(CC1=CC=C(O)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659962	0	39	-1.0	-51.39	329.87	2.39	-49.00
CC(CC1=CC=C(O)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659962	1	39	-1.0	-51.41	329.93	2.40	-49.01
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@H]1O	REAL250004659963	0	37	-1.0	-50.62	311.90	1.72	-48.90
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@H]1O	REAL250004659963	1	37	-1.0	-50.64	311.96	1.73	-48.91
CCOC(=O)CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004659964	0	41	-1.0	-47.65	337.37	5.74	-41.91
CCOC(=O)CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004659964	1	41	-1.0	-47.68	337.42	5.75	-41.93
O=C(NCC(O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659965	0	33	-1.0	-35.99	290.22	-0.48	-36.47
O=C(NCC(O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659965	1	33	-1.0	-35.95	290.29	-0.47	-36.42
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)C1CC1	REAL250004659966	0	32	-1.0	-50.21	267.80	4.19	-46.02
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)C1CC1	REAL250004659966	1	32	-1.0	-50.19	267.86	4.21	-45.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC(F)F)C1CC1	REAL250004659967	0	32	-1.0	-38.69	276.62	5.08	-33.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC(F)F)C1CC1	REAL250004659967	1	32	-1.0	-38.64	276.69	5.09	-33.55
CCCC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659968	0	35	-1.0	-36.23	304.50	-0.70	-36.93
CCCC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659968	1	35	-1.0	-36.17	304.56	-0.69	-36.86
CCC(C)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659969	0	38	-1.0	-45.88	307.15	-0.11	-45.99
CCC(C)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659969	1	38	-1.0	-45.93	307.20	-0.09	-46.02
CCC1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659970	0	42	-1.0	-46.00	321.17	6.74	-39.26
CCC1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659970	1	42	-1.0	-45.99	321.23	6.76	-39.23
CC1=NN=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004659971	0	37	-1.0	-55.65	314.27	-0.56	-56.21
CC1=NN=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004659971	1	37	-1.0	-55.65	314.32	-0.54	-56.19
CC(C)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659972	0	38	-1.0	-46.02	311.11	0.01	-46.01
CC(C)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659972	1	38	-1.0	-46.01	311.16	0.02	-45.99
CC(C)CC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659973	0	38	-1.0	-36.16	321.70	-0.20	-36.36
CC(C)CC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659973	1	38	-1.0	-36.12	321.77	-0.19	-36.31
CC(NC(=O)CCCC1=N[N-]N=N1)C1CN(C)CCO1	REAL250004659974	0	41	-1.0	-45.41	327.24	0.17	-45.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1CN(C)CCO1	REAL250004659974	1	41	-1.0	-45.35	327.30	0.18	-45.17
CC(C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004659975	0	47	-1.0	-46.13	353.48	7.20	-38.93
CC(C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004659975	1	47	-1.0	-46.15	353.54	7.21	-38.94
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CN=C1Cl	REAL250004659976	0	30	-1.0	-51.28	279.41	1.70	-49.58
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CN=C1Cl	REAL250004659976	1	30	-1.0	-51.27	279.46	1.71	-49.56
CC1=C(C)NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659977	0	35	-1.0	-49.01	300.18	1.31	-47.70
CC1=C(C)NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659977	1	35	-1.0	-49.06	300.24	1.32	-47.74
CC1=C(C)NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004659978	0	35	-1.0	-39.35	310.77	1.10	-38.25
CC1=C(C)NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004659978	1	35	-1.0	-39.33	310.84	1.10	-38.23
CCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659979	0	41	-1.0	-46.95	317.41	5.63	-41.32
CCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659979	1	41	-1.0	-46.97	317.46	5.64	-41.33
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CC=C1[N+](=O)[O-]	REAL250004659980	0	32	-1.0	-55.51	291.28	3.02	-52.49
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CC=C1[N+](=O)[O-]	REAL250004659980	1	32	-1.0	-55.51	291.33	3.04	-52.47
N#CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004659981	0	26	-1.0	-51.14	260.78	2.55	-48.59
N#CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004659981	1	26	-1.0	-51.14	260.72	2.54	-48.60
N#CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004659982	0	26	-1.0	-37.27	271.35	2.33	-34.94
N#CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004659982	1	26	-1.0	-37.30	271.29	2.33	-34.97
COC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659983	0	34	-1.0	-51.03	292.00	-0.09	-51.12
COC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659983	1	34	-1.0	-51.03	292.05	-0.08	-51.11
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659984	0	33	-1.0	-47.33	291.36	-2.73	-50.06
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659984	1	33	-1.0	-47.33	291.42	-2.72	-50.05
CC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004659985	0	35	-1.0	-59.46	301.10	2.85	-56.61
CC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004659985	1	35	-1.0	-59.44	301.16	2.86	-56.58
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004659987	0	42	-1.0	-48.82	339.12	5.90	-42.92
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004659987	1	42	-1.0	-48.81	339.18	5.91	-42.90
CC1CCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659988	0	35	-1.0	-36.64	281.13	4.63	-32.01
CC1CCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659988	1	35	-1.0	-36.57	281.19	4.63	-31.94
O=C(CCCC1=N[N-]N=N1)N1CCC2OCCCC2C1	REAL250004659989	0	40	-1.0	-47.98	309.96	3.71	-44.27
O=C(CCCC1=NN=N[N-]1)N1CCC2OCCCC2C1	REAL250004659989	1	40	-1.0	-47.98	310.02	3.73	-44.25
NC(=O)C1CCCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659990	0	42	-1.0	-53.28	324.13	1.24	-52.04
NC(=O)C1CCCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659990	1	42	-1.0	-53.29	324.18	1.26	-52.03
CC1=CC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004659991	0	34	-1.0	-46.87	287.73	3.70	-43.17
CC1=CC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004659991	1	34	-1.0	-46.86	287.79	3.72	-43.14
COC(=O)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659992	0	38	-1.0	-51.07	316.58	4.02	-47.05
COC(=O)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659992	1	38	-1.0	-51.07	316.64	4.03	-47.04
CC(C)(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659993	0	38	-1.0	-49.09	302.20	-0.17	-49.26
CC(C)(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659993	1	38	-1.0	-49.14	302.26	-0.15	-49.29
CC(C)(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659994	0	38	-1.0	-36.84	312.79	-0.37	-37.21
CC(C)(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659994	1	38	-1.0	-36.81	312.86	-0.36	-37.17
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCCCC1	REAL250004659995	0	42	-1.0	-47.77	318.41	1.73	-46.04
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCCCC1	REAL250004659995	1	42	-1.0	-47.82	318.46	1.75	-46.07
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1=CC=CC=N1	REAL250004659996	0	35	-1.0	-51.73	308.29	1.57	-50.16
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1=CC=CC=N1	REAL250004659996	1	35	-1.0	-51.72	308.23	1.56	-50.16
CCC(CC)(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659997	0	44	-1.0	-49.11	330.65	0.76	-48.35
CCC(CC)(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659997	1	44	-1.0	-49.13	330.71	0.77	-48.36
CCC(CCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004659998	0	38	-1.0	-49.23	303.35	-0.16	-49.39
CCC(CCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004659998	1	38	-1.0	-49.28	303.40	-0.15	-49.43
CCC(CCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659999	0	38	-1.0	-36.96	314.00	-0.38	-37.34
CCC(CCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659999	1	38	-1.0	-36.94	314.07	-0.38	-37.32
NC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004660000	0	30	-1.0	-55.25	269.68	-2.56	-57.81
NC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004660000	1	30	-1.0	-55.30	269.74	-2.55	-57.85
NC(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004660001	0	30	-1.0	-42.31	280.25	-2.78	-45.09
NC(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004660001	1	30	-1.0	-42.27	280.31	-2.76	-45.03
CC(C)CCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660002	0	44	-1.0	-48.47	341.75	6.31	-42.16
CC(C)CCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660002	1	44	-1.0	-48.49	341.81	6.32	-42.17
CCCC(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660003	0	44	-1.0	-48.57	335.38	6.68	-41.89
CCCC(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660003	1	44	-1.0	-48.54	335.44	6.69	-41.85
CC1=CC=CC(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660004	0	39	-1.0	-47.84	329.94	1.74	-46.10
CC1=CC=CC(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660004	1	39	-1.0	-47.82	330.00	1.76	-46.06
O=C(NCCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660005	0	28	-1.0	-35.98	257.85	1.17	-34.81
O=C(NCCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660005	1	28	-1.0	-36.00	257.92	1.18	-34.82
CC(C)COC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660006	0	42	-1.0	-47.92	339.96	4.34	-43.58
CC(C)COC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660006	1	42	-1.0	-47.95	340.02	4.35	-43.60
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN(C)C1=O	REAL250004660007	0	35	-1.0	-54.63	301.89	2.80	-51.83
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN(C)C1=O	REAL250004660007	1	35	-1.0	-54.64	301.95	2.82	-51.82
C=C(C)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660008	0	36	-1.0	-47.41	306.94	1.98	-45.43
C=C(C)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660008	1	36	-1.0	-47.39	307.00	1.99	-45.40
C=C(C)COCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660009	0	36	-1.0	-37.25	317.54	1.77	-35.48
C=C(C)COCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660009	1	36	-1.0	-37.24	317.60	1.78	-35.46
NC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004660010	0	35	-1.0	-49.45	310.94	-1.46	-50.91
NC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004660010	1	35	-1.0	-49.42	310.89	-1.48	-50.90
CC(C)(CO)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660011	0	41	-1.0	-47.96	326.75	0.50	-47.46
CC(C)(CO)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660011	1	41	-1.0	-47.95	326.81	0.51	-47.44
O=C(CCCC1=N[N-]N=N1)NCCSCCCO	REAL250004660012	0	36	-1.0	-51.26	318.29	0.02	-51.24
O=C(CCCC1=NN=N[N-]1)NCCSCCCO	REAL250004660012	1	36	-1.0	-51.26	318.35	0.04	-51.22
O=C(NCC1(CO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660013	0	33	-1.0	-36.93	293.40	-0.95	-37.88
O=C(NCC1(CO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660013	1	33	-1.0	-36.87	293.47	-0.94	-37.81
CC1=CNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004660014	0	29	-1.0	-36.33	264.49	3.17	-33.16
CC1=CNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004660014	1	29	-1.0	-36.35	264.56	3.18	-33.17
O=C(CCCC1=NN=N[N-]1)NCCN1N=CN=N1	REAL250004660015	0	30	-1.0	-53.38	270.58	0.31	-53.07
O=C(CCCC1=N[N-]N=N1)NCCN1N=CN=N1	REAL250004660015	1	30	-1.0	-53.38	270.52	0.30	-53.08
O=C(NCCN1N=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660016	0	30	-1.0	-39.87	281.19	0.10	-39.77
O=C(NCCN1N=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660016	1	30	-1.0	-39.92	281.12	0.09	-39.83
COC(=O)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660017	0	32	-1.0	-46.75	299.26	3.12	-43.63
COC(=O)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660017	1	32	-1.0	-46.80	299.31	3.13	-43.67
CC(C)(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004660018	0	38	-1.0	-49.71	307.75	-0.28	-49.99
CC(C)(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004660018	1	38	-1.0	-49.71	307.80	-0.27	-49.98
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=NC=CN2C=C1	REAL250004660019	0	35	-1.0	-51.73	305.57	4.04	-47.69
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=NC=CN2C=C1	REAL250004660019	1	35	-1.0	-51.81	305.63	4.06	-47.75
CN(CCCN1C=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004660020	0	38	-1.0	-53.08	320.65	5.94	-47.14
CN(CCCN1C=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004660020	1	38	-1.0	-53.06	320.71	5.96	-47.10
O=C(CCCC1=N[N-]N=N1)NCC1C2CC3=CC=CC=C3C12	REAL250004660021	0	40	-1.0	-47.08	334.48	6.12	-40.96
O=C(CCCC1=NN=N[N-]1)NCC1C2CC3=CC=CC=C3C12	REAL250004660021	1	40	-1.0	-47.05	334.53	6.14	-40.91
O=C(CCCC1=N[N-]N=N1)NCC1(CCO)CCCC1	REAL250004660022	0	42	-1.0	-46.91	326.78	1.11	-45.80
O=C(CCCC1=NN=N[N-]1)NCC1(CCO)CCCC1	REAL250004660022	1	42	-1.0	-46.95	326.83	1.12	-45.83
CC(CC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004660023	0	39	-1.0	-49.35	311.68	1.94	-47.41
CC(CC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004660023	1	39	-1.0	-49.31	311.74	1.96	-47.35
CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660024	0	36	-1.0	-48.24	286.57	1.02	-47.22
CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660024	1	36	-1.0	-48.22	286.63	1.04	-47.18
CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660025	0	36	-1.0	-35.88	294.25	1.29	-34.59
CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660025	1	36	-1.0	-35.85	294.32	1.29	-34.56
CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660026	0	38	-1.0	-46.05	312.39	3.98	-42.07
CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660026	1	38	-1.0	-46.04	312.45	4.00	-42.04
CCCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660027	0	38	-1.0	-34.77	322.98	3.78	-30.99
CCCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660027	1	38	-1.0	-34.71	323.05	3.78	-30.93
CN(C(=O)CCCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL250004660028	0	39	-1.0	-49.95	320.95	6.58	-43.37
CN(C(=O)CCCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL250004660028	1	39	-1.0	-49.95	321.01	6.59	-43.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CN=N2)=C1	REAL250004660029	0	35	-1.0	-51.63	305.47	3.28	-48.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CN=N2)=C1	REAL250004660029	1	35	-1.0	-51.65	305.41	3.26	-48.39
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCC2)C1	REAL250004660030	0	40	-1.0	-46.86	317.14	2.61	-44.25
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCC2)C1	REAL250004660030	1	40	-1.0	-46.90	317.20	2.63	-44.27
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004660031	0	39	-1.0	-47.23	304.08	1.98	-45.25
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004660031	1	39	-1.0	-47.27	304.13	1.99	-45.28
CN1N=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660032	0	28	-1.0	-39.09	261.56	4.19	-34.90
CN1N=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660032	1	28	-1.0	-39.13	261.49	4.19	-34.94
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004660033	0	38	-1.0	-46.39	295.33	5.33	-41.06
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004660033	1	38	-1.0	-46.46	295.39	5.34	-41.12
CC(C)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660034	0	38	-1.0	-35.66	304.85	6.07	-29.59
CC(C)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660034	1	38	-1.0	-35.60	304.92	6.07	-29.53
CC(C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004660035	0	41	-1.0	-45.72	320.58	6.08	-39.64
CC(C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004660035	1	41	-1.0	-45.73	320.64	6.09	-39.64
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660036	0	32	-1.0	-35.90	266.30	4.79	-31.11
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660036	1	32	-1.0	-35.82	266.37	4.80	-31.02
N#CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660037	0	33	-1.0	-39.65	287.92	5.23	-34.42
N#CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660037	1	33	-1.0	-39.66	287.99	5.25	-34.41
CCC(C)N(OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660038	0	35	-1.0	-35.99	287.93	4.16	-31.83
CCC(C)N(OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660038	1	35	-1.0	-35.96	287.99	4.17	-31.79
CC(C)OC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660039	0	40	-1.0	-48.05	327.89	4.86	-43.19
CC(C)OC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660039	1	40	-1.0	-48.08	327.95	4.87	-43.21
CCC(CC)(CC)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660040	0	43	-1.0	-46.13	319.23	4.10	-42.03
CCC(CC)(CC)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660040	1	43	-1.0	-46.16	319.29	4.11	-42.05
CC(C)(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660041	0	45	-1.0	-47.94	345.65	4.75	-43.19
CC(C)(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660041	1	45	-1.0	-47.94	345.71	4.76	-43.18
CC(C)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660042	0	44	-1.0	-47.13	335.12	6.15	-40.98
CC(C)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660042	1	44	-1.0	-47.12	335.17	6.16	-40.96
CSCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660043	0	36	-1.0	-48.58	298.81	4.71	-43.87
CSCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660043	1	36	-1.0	-48.59	298.87	4.73	-43.86
CN(CCOC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660044	0	41	-1.0	-46.01	324.80	3.88	-42.13
CN(CCOC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660044	1	41	-1.0	-46.04	324.86	3.89	-42.15
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCOCC2)C1	REAL250004660045	0	41	-1.0	-47.78	316.03	2.30	-45.48
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCOCC2)C1	REAL250004660045	1	41	-1.0	-47.74	316.09	2.31	-45.43
CCCCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660046	0	44	-1.0	-48.40	345.42	6.56	-41.84
CCCCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660046	1	44	-1.0	-48.41	345.47	6.57	-41.84
CC(COC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004660047	0	40	-1.0	-46.90	329.00	0.91	-45.99
CC(COC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004660047	1	40	-1.0	-46.89	329.06	0.92	-45.97
COC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660048	0	33	-1.0	-49.31	289.17	2.72	-46.59
COC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660048	1	33	-1.0	-49.29	289.23	2.73	-46.56
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660050	0	41	-1.0	-45.73	319.32	5.47	-40.26
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660050	1	41	-1.0	-45.75	319.37	5.49	-40.26
CC(CCS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004660051	0	37	-1.0	-54.77	324.06	-0.22	-54.99
CC(CCS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004660051	1	37	-1.0	-54.71	324.12	-0.20	-54.91
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCS1	REAL250004660052	0	36	-1.0	-46.69	301.86	3.68	-43.01
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCS1	REAL250004660052	1	36	-1.0	-46.66	301.92	3.70	-42.96
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004660053	0	36	-1.0	-48.35	314.15	2.79	-45.56
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004660053	1	36	-1.0	-48.33	314.20	2.80	-45.53
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCOC1	REAL250004660054	0	40	-1.0	-47.71	331.62	0.72	-46.99
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCOC1	REAL250004660054	1	40	-1.0	-47.71	331.68	0.74	-46.97
CC1=CC=NC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660055	0	33	-1.0	-47.07	288.70	2.94	-44.13
CC1=CC=NC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660055	1	33	-1.0	-47.07	288.75	2.96	-44.11
CC1=CC=NC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004660056	0	33	-1.0	-37.62	299.29	2.73	-34.89
CC1=CC=NC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004660056	1	33	-1.0	-37.58	299.36	2.73	-34.85
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CNC2=N1	REAL250004660057	0	31	-1.0	-67.44	275.73	4.09	-63.35
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CNC2=N1	REAL250004660057	1	31	-1.0	-67.46	275.79	4.11	-63.35
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2CCCO2)C1	REAL250004660059	0	41	-1.0	-48.45	323.31	2.72	-45.73
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2CCCO2)C1	REAL250004660059	1	41	-1.0	-48.49	323.36	2.73	-45.76
COC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004660060	0	33	-1.0	-48.38	293.82	2.84	-45.54
COC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004660060	1	33	-1.0	-48.38	293.88	2.85	-45.53
O=C(CCCC1=N[N-]N=N1)N1CC(=O)NC2CCCCC21	REAL250004660061	0	40	-1.0	-47.04	310.62	1.96	-45.08
O=C(CCCC1=NN=N[N-]1)N1CC(=O)NC2CCCCC21	REAL250004660061	1	40	-1.0	-47.05	310.67	1.98	-45.07
COC(C)(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660062	0	38	-1.0	-45.33	295.70	2.87	-42.46
COC(C)(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660062	1	38	-1.0	-45.31	295.75	2.89	-42.42
COC(C)(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660063	0	38	-1.0	-35.68	303.83	3.25	-32.43
COC(C)(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660063	1	38	-1.0	-35.66	303.88	3.27	-32.39
COC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660064	0	31	-1.0	-37.19	283.79	1.21	-35.98
COC(=O)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660064	1	31	-1.0	-37.20	283.86	1.22	-35.98
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CC=C1	REAL250004660066	0	39	-1.0	-46.47	321.83	1.60	-44.87
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CC=C1	REAL250004660066	1	39	-1.0	-46.46	321.89	1.62	-44.84
CC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660067	0	32	-1.0	-36.96	283.07	-1.49	-38.45
CC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660067	1	32	-1.0	-36.90	283.14	-1.48	-38.38
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@H](O)C1	REAL250004660068	0	30	-1.0	-37.40	260.88	-0.29	-37.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@H](O)C1	REAL250004660068	1	30	-1.0	-37.37	260.95	-0.28	-37.65
CC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660069	0	32	-1.0	-36.55	280.83	-1.54	-38.09
CC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660069	1	32	-1.0	-36.55	280.90	-1.53	-38.08
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](O)C1	REAL250004660070	0	30	-1.0	-37.28	260.85	-0.27	-37.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](O)C1	REAL250004660070	1	30	-1.0	-37.23	260.92	-0.26	-37.49
O=C(CCCC1=N[N-]N=N1)N1CCOC(CO)C1	REAL250004660071	0	34	-1.0	-49.17	280.59	-1.18	-50.35
O=C(CCCC1=NN=N[N-]1)N1CCOC(CO)C1	REAL250004660071	1	34	-1.0	-49.20	280.65	-1.17	-50.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(CO)C1	REAL250004660072	0	34	-1.0	-37.51	288.07	-0.96	-38.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(CO)C1	REAL250004660072	1	34	-1.0	-37.47	288.14	-0.93	-38.40
NS(=O)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660073	0	34	-1.0	-58.42	298.14	-2.22	-60.64
NS(=O)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660073	1	34	-1.0	-58.44	298.20	-2.20	-60.64
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C1)C2O	REAL250004660074	0	40	-1.0	-48.52	297.99	2.44	-46.08
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C1)C2O	REAL250004660074	1	40	-1.0	-48.55	298.05	2.45	-46.10
CSC(CO)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660075	0	36	-1.0	-47.10	303.48	0.89	-46.21
CSC(CO)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660075	1	36	-1.0	-47.16	303.54	0.91	-46.25
COCC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004660076	0	36	-1.0	-46.48	304.31	-1.96	-48.44
COCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660076	1	36	-1.0	-46.46	304.37	-1.95	-48.41
NC1=NC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004660077	0	32	-1.0	-46.57	280.96	0.31	-46.26
NC1=NC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004660077	1	32	-1.0	-46.57	281.02	0.32	-46.25
NC1=NC=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660078	0	32	-1.0	-37.16	291.55	0.10	-37.06
NC1=NC=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660078	1	32	-1.0	-37.11	291.62	0.10	-37.01
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(C(N)=O)S1	REAL250004660079	0	33	-1.0	-58.72	297.85	-0.02	-58.74
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(C(N)=O)S1	REAL250004660079	1	33	-1.0	-58.67	297.91	0.00	-58.67
C#CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660080	0	33	-1.0	-36.70	300.04	3.10	-33.60
C#CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660080	1	33	-1.0	-36.62	300.11	3.11	-33.51
NC(=O)C1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004660081	0	33	-1.0	-48.64	299.18	-2.11	-50.75
NC(=O)C1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004660081	1	33	-1.0	-48.68	299.23	-2.10	-50.78
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC=C1Cl	REAL250004660082	0	30	-1.0	-48.42	279.48	1.74	-46.68
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC=C1Cl	REAL250004660082	1	30	-1.0	-48.45	279.53	1.76	-46.69
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC=CC1=O	REAL250004660083	0	35	-1.0	-58.54	304.38	2.56	-55.98
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC=CC1=O	REAL250004660083	1	35	-1.0	-58.50	304.44	2.57	-55.93
CCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660084	0	38	-1.0	-47.18	300.44	4.53	-42.65
CCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660084	1	38	-1.0	-47.21	300.49	4.55	-42.66
CCC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660085	0	38	-1.0	-36.24	304.82	4.68	-31.56
CCC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660085	1	38	-1.0	-36.23	304.88	4.69	-31.54
CCC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660086	0	39	-1.0	-51.43	323.52	2.06	-49.37
CCC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660086	1	39	-1.0	-51.46	323.58	2.07	-49.39
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)(F)C1	REAL250004660087	0	35	-1.0	-49.17	292.54	3.27	-45.90
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)(F)C1	REAL250004660087	1	35	-1.0	-49.18	292.60	3.29	-45.89
CC1(C)C2CCC1(C)C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004660088	0	45	-1.0	-46.70	333.55	5.40	-41.30
CC1(C)C2CCC1(C)C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004660088	1	45	-1.0	-46.72	333.61	5.41	-41.31
O=C(CCCC1=N[N-]N=N1)N1CCSC2COCCC21	REAL250004660089	0	38	-1.0	-46.32	303.71	3.42	-42.90
O=C(CCCC1=NN=N[N-]1)N1CCSC2COCCC21	REAL250004660089	1	38	-1.0	-46.34	303.77	3.43	-42.91
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(Cl)C=CC=C21	REAL250004660090	0	33	-1.0	-45.18	289.90	5.81	-39.37
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(Cl)C=CC=C21	REAL250004660090	1	33	-1.0	-45.18	289.96	5.82	-39.36
CC(C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004660092	0	44	-1.0	-45.94	332.61	5.16	-40.78
CC(C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004660092	1	44	-1.0	-46.00	332.67	5.18	-40.82
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOC2)C1	REAL250004660093	0	37	-1.0	-47.67	295.24	2.54	-45.13
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOC2)C1	REAL250004660093	1	37	-1.0	-47.69	295.30	2.55	-45.14
CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004660094	0	41	-1.0	-46.12	323.93	4.50	-41.62
CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004660094	1	41	-1.0	-46.12	323.98	4.51	-41.61
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCCC2)C1	REAL250004660095	0	43	-1.0	-46.63	331.31	3.18	-43.45
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCCC2)C1	REAL250004660095	1	43	-1.0	-46.64	331.37	3.19	-43.45
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004660096	0	41	-1.0	-46.24	315.36	4.45	-41.79
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004660096	1	41	-1.0	-46.17	315.42	4.47	-41.70
CC1=CC(Cl)=NC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660097	0	31	-1.0	-50.50	282.87	2.81	-47.69
CC1=CC(Cl)=NC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660097	1	31	-1.0	-50.53	282.92	2.83	-47.70
CC(C)N(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004660098	0	34	-1.0	-49.01	276.66	4.05	-44.96
CC(C)N(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004660098	1	34	-1.0	-48.99	276.71	4.06	-44.93
CC(C)N(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660099	0	34	-1.0	-38.93	280.70	4.65	-34.28
CC(C)N(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660099	1	34	-1.0	-38.87	280.77	4.66	-34.21
O=C(CCCC1=N[N-]N=N1)NC1C2C1C1CCC2C1	REAL250004660100	0	37	-1.0	-46.58	293.71	4.15	-42.43
O=C(CCCC1=NN=N[N-]1)NC1C2C1C1CCC2C1	REAL250004660100	1	37	-1.0	-46.59	293.77	4.16	-42.43
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660101	0	37	-1.0	-35.00	304.30	3.93	-31.07
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660101	1	37	-1.0	-34.96	304.37	3.94	-31.02
COC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660102	0	37	-1.0	-52.57	310.23	2.68	-49.89
COC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660102	1	37	-1.0	-52.57	310.28	2.70	-49.87
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CNN=C2C1	REAL250004660103	0	36	-1.0	-53.55	299.56	1.69	-51.86
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CNN=C2C1	REAL250004660103	1	36	-1.0	-53.59	299.62	1.70	-51.89
O=C(CCCC1=N[N-]N=N1)NCC1CCCS1	REAL250004660104	0	33	-1.0	-46.66	284.98	3.01	-43.65
O=C(CCCC1=NN=N[N-]1)NCC1CCCS1	REAL250004660104	1	33	-1.0	-46.70	285.04	3.03	-43.67
O=C(NCC1CCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660105	0	33	-1.0	-37.65	295.55	2.79	-34.86
O=C(NCC1CCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660105	1	33	-1.0	-37.56	295.62	2.81	-34.75
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004660106	0	44	-1.0	-46.67	346.78	5.74	-40.93
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004660106	1	44	-1.0	-46.68	346.84	5.75	-40.93
CN(CCC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660107	0	43	-1.0	-50.19	347.64	5.38	-44.81
CN(CCC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660107	1	43	-1.0	-50.23	347.70	5.39	-44.84
CCC1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004660108	0	38	-1.0	-46.79	304.90	3.88	-42.91
CCC1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004660108	1	38	-1.0	-46.81	304.96	3.90	-42.91
CCC1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660109	0	38	-1.0	-35.12	314.51	3.73	-31.39
CCC1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660109	1	38	-1.0	-35.11	314.58	3.73	-31.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2COCC2=C1	REAL250004660110	0	34	-1.0	-48.31	288.97	2.66	-45.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2COCC2=C1	REAL250004660110	1	34	-1.0	-48.32	289.03	2.67	-45.65
CC(=O)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660111	0	38	-1.0	-49.00	312.59	4.48	-44.52
CC(=O)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660111	1	38	-1.0	-49.00	312.65	4.49	-44.51
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL250004660112	0	42	-1.0	-47.10	340.62	6.00	-41.10
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL250004660112	1	42	-1.0	-47.13	340.67	6.01	-41.12
CC(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004660113	0	34	-1.0	-55.84	295.54	-0.99	-56.83
CC(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004660113	1	34	-1.0	-55.82	295.60	-0.97	-56.79
CC(=O)N1CCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660114	0	42	-1.0	-61.82	337.97	3.82	-58.00
CC(=O)N1CCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660114	1	42	-1.0	-61.82	338.03	3.83	-57.99
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CS1	REAL250004660115	0	35	-1.0	-46.97	312.31	4.12	-42.85
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CS1	REAL250004660115	1	35	-1.0	-46.99	312.37	4.13	-42.86
O=C(CCCC1=N[N-]N=N1)NCCSCC(F)(F)F	REAL250004660116	0	32	-1.0	-50.53	304.29	3.00	-47.53
O=C(CCCC1=NN=N[N-]1)NCCSCC(F)(F)F	REAL250004660116	1	32	-1.0	-50.56	304.35	3.01	-47.55
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660117	0	38	-1.0	-46.88	294.81	4.66	-42.22
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660117	1	38	-1.0	-46.87	294.86	4.68	-42.19
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL250004660118	0	38	-1.0	-34.96	298.05	5.18	-29.78
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL250004660118	1	38	-1.0	-34.97	298.12	5.18	-29.79
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=NO1	REAL250004660119	0	34	-1.0	-48.53	290.08	2.88	-45.65
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=NO1	REAL250004660119	1	34	-1.0	-48.58	290.13	2.90	-45.68
CCC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=NO1	REAL250004660120	0	34	-1.0	-35.84	306.97	2.70	-33.14
CCC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=NO1	REAL250004660120	1	34	-1.0	-35.83	307.15	2.74	-33.09
CC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004660121	0	37	-1.0	-48.21	311.32	4.54	-43.67
CC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004660121	1	37	-1.0	-48.26	311.38	4.55	-43.71
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660122	0	39	-1.0	-46.68	311.49	3.55	-43.13
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660122	1	39	-1.0	-46.68	311.55	3.56	-43.12
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)N=CO1	REAL250004660123	0	31	-1.0	-49.16	274.23	-1.20	-50.36
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)N=CO1	REAL250004660123	1	31	-1.0	-49.18	274.29	-1.18	-50.36
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL250004660124	0	31	-1.0	-38.85	284.81	-1.40	-40.25
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=CO1	REAL250004660124	1	31	-1.0	-38.80	284.88	-1.40	-40.20
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NC=CO2)C=C1	REAL250004660125	0	35	-1.0	-51.10	309.42	1.87	-49.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NC=CO2)C=C1	REAL250004660125	1	35	-1.0	-51.08	309.37	1.86	-49.22
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660126	0	36	-1.0	-46.23	289.73	1.87	-44.36
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660126	1	36	-1.0	-46.23	289.79	1.89	-44.34
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004660127	0	36	-1.0	-35.36	304.16	1.34	-34.02
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004660127	1	36	-1.0	-35.35	304.23	1.34	-34.01
CNC(=O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660128	0	32	-1.0	-40.85	286.81	-1.25	-42.10
CNC(=O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660128	1	32	-1.0	-40.81	286.87	-1.23	-42.04
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCC2)C1	REAL250004660129	0	37	-1.0	-46.66	293.72	3.08	-43.58
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCC2)C1	REAL250004660129	1	37	-1.0	-46.66	293.77	3.09	-43.57
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)CCC2C1	REAL250004660130	0	37	-1.0	-50.13	298.81	2.96	-47.17
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)CCC2C1	REAL250004660130	1	37	-1.0	-50.12	298.86	2.98	-47.14
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1CO	REAL250004660131	0	39	-1.0	-46.76	307.22	1.09	-45.67
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1CO	REAL250004660131	1	39	-1.0	-46.78	307.28	1.11	-45.67
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](O)CC1	REAL250004660132	0	36	-1.0	-49.17	292.51	-0.18	-49.35
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](O)CC1	REAL250004660132	1	36	-1.0	-49.19	292.57	-0.16	-49.35
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660133	0	36	-1.0	-36.81	303.10	-0.38	-37.19
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660133	1	36	-1.0	-36.83	303.17	-0.36	-37.19
CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004660134	0	39	-1.0	-49.15	325.87	4.39	-44.76
CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004660134	1	39	-1.0	-49.14	325.92	4.40	-44.74
COC1=CC=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660135	0	33	-1.0	-49.64	287.40	2.84	-46.80
COC1=CC=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660135	1	33	-1.0	-49.60	287.46	2.86	-46.74
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660136	1	40	-1.0	-46.43	308.14	2.45	-43.98
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660136	1	40	-1.0	-46.48	308.20	2.47	-44.01
CN1C(=O)CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004660137	0	31	-1.0	-55.77	280.71	0.47	-55.30
CN1C(=O)CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004660137	1	31	-1.0	-55.75	280.77	0.48	-55.27
CN(C)C(=O)NCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660138	0	40	-1.0	-56.35	330.23	1.81	-54.54
CN(C)C(=O)NCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660138	1	40	-1.0	-56.34	330.29	1.83	-54.51
CN1C=CN=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660139	0	39	-1.0	-53.60	321.90	4.58	-49.02
CN1C=CN=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660139	1	39	-1.0	-53.65	321.96	4.59	-49.06
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=NN1	REAL250004660140	0	32	-1.0	-47.79	292.36	1.46	-46.33
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=NN1	REAL250004660140	1	32	-1.0	-47.81	292.42	1.47	-46.34
CN1C=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660141	0	31	-1.0	-52.00	276.71	1.77	-50.23
CN1C=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660141	1	31	-1.0	-52.00	276.77	1.78	-50.22
CN1C=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004660142	0	31	-1.0	-41.70	287.31	1.56	-40.14
CN1C=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004660142	1	31	-1.0	-41.69	287.37	1.56	-40.13
CC1=NC(CCNC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004660143	0	37	-1.0	-52.54	318.62	0.34	-52.20
CC1=NC(CCNC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004660143	1	37	-1.0	-52.56	318.68	0.36	-52.20
O=C(CCCC1=N[N-]N=N1)N1CCC(OCCO)CC1	REAL250004660144	0	40	-1.0	-50.86	322.43	0.46	-50.40
O=C(CCCC1=NN=N[N-]1)N1CCC(OCCO)CC1	REAL250004660144	1	40	-1.0	-50.85	322.49	0.47	-50.38
CC(C)CSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660145	0	41	-1.0	-46.28	347.17	4.72	-41.56
CC(C)CSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660145	1	41	-1.0	-46.30	347.23	4.74	-41.56
CCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660146	0	43	-1.0	-46.31	348.16	5.13	-41.18
CCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660146	1	43	-1.0	-46.32	348.22	5.14	-41.18
C=CCN(CC(=O)OCC)C(=O)CCCC1=N[N-]N=N1	REAL250004660147	0	38	-1.0	-49.77	327.52	5.42	-44.35
C=CCN(CC(=O)OCC)C(=O)CCCC1=NN=N[N-]1	REAL250004660147	1	38	-1.0	-49.76	327.58	5.44	-44.32
CCCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004660148	0	38	-1.0	-56.10	318.52	1.51	-54.59
CCCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004660148	1	38	-1.0	-56.14	318.57	1.52	-54.62
CCCN(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660149	0	41	-1.0	-53.18	335.73	4.08	-49.10
CCCN(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660149	1	41	-1.0	-53.15	335.79	4.09	-49.06
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCO)C1	REAL250004660150	0	39	-1.0	-49.34	307.33	1.52	-47.82
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCO)C1	REAL250004660150	1	39	-1.0	-49.34	307.39	1.53	-47.81
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCCCC1	REAL250004660151	0	45	-1.0	-45.50	340.90	2.04	-43.46
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCCCC1	REAL250004660151	1	45	-1.0	-45.49	340.96	2.06	-43.43
COCCN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004660152	0	38	-1.0	-49.43	324.67	3.12	-46.31
COCCN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004660152	1	38	-1.0	-49.41	324.73	3.13	-46.28
CC(O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660153	0	39	-1.0	-48.24	312.26	1.71	-46.53
CC(O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660153	1	39	-1.0	-48.21	312.32	1.73	-46.48
COC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660154	0	39	-1.0	-51.73	319.70	1.56	-50.17
COC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660154	1	39	-1.0	-51.74	319.76	1.57	-50.17
COC(=O)CN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660155	0	40	-1.0	-49.41	327.97	5.17	-44.24
COC(=O)CN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660155	1	40	-1.0	-49.42	328.03	5.18	-44.24
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL250004660156	0	33	-1.0	-37.16	278.68	0.23	-36.93
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL250004660156	1	33	-1.0	-37.17	278.75	0.23	-36.94
CC(C)C(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660157	0	41	-1.0	-54.46	341.32	1.07	-53.39
CC(C)C(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660157	1	41	-1.0	-54.45	341.37	1.08	-53.37
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004660158	0	44	-1.0	-46.27	330.69	4.92	-41.35
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004660158	1	44	-1.0	-46.29	330.74	4.93	-41.36
CN(CCC1=NC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004660159	0	34	-1.0	-53.02	303.47	3.49	-49.53
CN(CCC1=NC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004660159	1	34	-1.0	-53.01	303.52	3.50	-49.51
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCCC2	REAL250004660160	0	42	-1.0	-44.02	305.10	5.46	-38.56
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCCC2	REAL250004660160	1	42	-1.0	-44.04	305.15	5.47	-38.57
COC(=O)C(CC(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004660161	0	34	-1.0	-46.88	298.07	2.29	-44.59
COC(=O)C(CC(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004660161	1	34	-1.0	-46.91	298.13	2.30	-44.61
CC1OCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660162	0	33	-1.0	-35.53	282.90	0.85	-34.68
CC1OCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660162	1	33	-1.0	-35.52	282.97	0.85	-34.67
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004660163	0	39	-1.0	-47.39	302.81	1.93	-45.46
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004660163	1	39	-1.0	-47.37	302.87	1.95	-45.42
CC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660164	0	38	-1.0	-46.80	303.78	3.68	-43.12
CC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660164	1	38	-1.0	-46.82	303.84	3.69	-43.13
CC1(C)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660165	0	38	-1.0	-34.91	314.35	3.46	-31.45
CC1(C)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660165	1	38	-1.0	-34.93	314.42	3.47	-31.46
COC1=CC(F)=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660166	0	36	-1.0	-46.70	315.00	2.85	-43.85
COC1=CC(F)=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660166	1	36	-1.0	-46.70	315.06	2.86	-43.84
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(F)C=CC=C2C1	REAL250004660167	0	36	-1.0	-49.27	300.79	5.83	-43.44
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(F)C=CC=C2C1	REAL250004660167	1	36	-1.0	-49.26	300.85	5.84	-43.42
CNC(=O)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660168	0	38	-1.0	-55.96	318.38	1.68	-54.28
CNC(=O)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660168	1	38	-1.0	-55.96	318.44	1.69	-54.27
C#CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660169	0	34	-1.0	-36.42	302.40	6.18	-30.24
C#CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660169	1	34	-1.0	-36.39	302.46	6.18	-30.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CC2)C1	REAL250004660170	0	36	-1.0	-35.87	302.23	5.15	-30.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CC2)C1	REAL250004660170	1	36	-1.0	-35.84	302.29	5.16	-30.68
CCC1=NOC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660171	0	34	-1.0	-49.12	291.61	2.77	-46.35
CCC1=NOC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660171	1	34	-1.0	-49.16	291.67	2.78	-46.38
CCC1=NOC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660172	0	34	-1.0	-36.06	295.43	2.61	-33.45
CCC1=NOC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660172	1	34	-1.0	-36.03	295.50	2.62	-33.41
CCC(CC)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660173	0	41	-1.0	-49.21	314.35	0.44	-48.77
CCC(CC)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660173	1	41	-1.0	-49.19	314.41	0.45	-48.74
CCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660174	0	42	-1.0	-46.88	315.14	1.78	-45.10
CCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660174	1	42	-1.0	-46.89	315.19	1.80	-45.09
CNC(=O)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004660175	0	39	-1.0	-46.85	317.57	0.95	-45.90
CNC(=O)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004660175	1	39	-1.0	-46.87	317.62	0.96	-45.91
CN(C(=O)CCCC1=N[N-]N=N1)C1CCNC1=O	REAL250004660176	0	33	-1.0	-53.84	274.62	-0.00	-53.84
CN(C(=O)CCCC1=NN=N[N-]1)C1CCNC1=O	REAL250004660176	1	33	-1.0	-53.84	274.68	0.01	-53.83
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCNC1=O	REAL250004660177	0	33	-1.0	-43.25	282.37	0.40	-42.85
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCNC1=O	REAL250004660177	1	33	-1.0	-43.16	282.43	0.42	-42.74
CC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660178	0	32	-1.0	-37.95	277.32	3.70	-34.25
CC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660178	1	32	-1.0	-37.93	277.39	3.70	-34.23
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1CC(C)C	REAL250004660179	0	41	-1.0	-52.85	328.27	3.54	-49.31
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1CC(C)C	REAL250004660179	1	41	-1.0	-52.85	328.33	3.56	-49.29
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CS1	REAL250004660180	0	36	-1.0	-45.10	313.49	0.67	-44.43
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CS1	REAL250004660180	1	36	-1.0	-45.06	313.55	0.69	-44.37
CC1=CN=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660181	0	37	-1.0	-50.07	311.24	2.93	-47.14
CC1=CN=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660181	1	37	-1.0	-50.04	311.30	2.94	-47.10
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCOCC2)C1	REAL250004660182	0	43	-1.0	-48.56	336.24	4.22	-44.34
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCOCC2)C1	REAL250004660182	1	43	-1.0	-48.59	336.30	4.23	-44.36
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1O	REAL250004660183	0	33	-1.0	-37.49	279.84	0.48	-37.01
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1O	REAL250004660183	1	33	-1.0	-37.45	279.91	0.48	-36.97
CCN(CCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004660184	0	37	-1.0	-56.73	320.87	1.03	-55.70
CCN(CCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004660184	1	37	-1.0	-56.74	320.93	1.04	-55.70
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004660185	0	47	-1.0	-46.23	345.97	5.40	-40.83
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004660185	1	47	-1.0	-46.28	346.02	5.41	-40.87
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004660186	0	32	-1.0	-46.61	285.12	-0.90	-47.51
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004660186	1	32	-1.0	-46.60	285.18	-0.88	-47.48
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CN1C	REAL250004660188	1	40	-1.0	-46.51	308.63	2.69	-43.82
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CN1C	REAL250004660188	1	40	-1.0	-46.55	308.69	2.71	-43.84
COCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004660189	0	40	-1.0	-47.64	326.52	1.87	-45.77
COCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004660189	1	40	-1.0	-47.62	326.58	1.89	-45.73
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2N1	REAL250004660190	0	34	-1.0	-48.24	298.94	4.25	-43.99
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2N1	REAL250004660190	1	34	-1.0	-48.27	299.00	4.27	-44.00
COCC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004660191	0	33	-1.0	-54.10	287.78	-3.35	-57.45
COCC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004660191	1	33	-1.0	-54.14	287.83	-3.33	-57.47
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004660192	0	33	-1.0	-45.15	298.36	-3.55	-48.70
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004660192	1	33	-1.0	-45.10	298.43	-3.54	-48.64
O=C(CCCC1=N[N-]N=N1)N1CCN2C(=O)OCCC2C1	REAL250004660193	0	38	-1.0	-50.82	305.02	2.54	-48.28
O=C(CCCC1=NN=N[N-]1)N1CCN2C(=O)OCCC2C1	REAL250004660193	1	38	-1.0	-50.88	305.08	2.56	-48.32
COC[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660194	0	32	-1.0	-35.92	282.31	0.28	-35.64
COC[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660194	1	32	-1.0	-35.92	282.38	0.29	-35.63
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004660195	0	38	-1.0	-48.45	311.48	5.27	-43.18
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004660195	1	38	-1.0	-48.47	311.53	5.28	-43.19
CCOC(=O)CN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660196	0	43	-1.0	-49.39	349.83	6.10	-43.29
CCOC(=O)CN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660196	1	43	-1.0	-49.38	349.89	6.11	-43.27
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2)N=C1	REAL250004660197	0	35	-1.0	-48.93	307.86	4.04	-44.89
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2)N=C1	REAL250004660197	1	35	-1.0	-48.92	307.80	4.03	-44.89
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(F)=CC=C2C1	REAL250004660198	0	36	-1.0	-48.00	301.88	5.82	-42.18
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(F)=CC=C2C1	REAL250004660198	1	36	-1.0	-47.97	301.94	5.84	-42.13
CCNC(=O)N(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660200	0	34	-1.0	-52.27	293.75	0.71	-51.56
CCNC(=O)N(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660200	1	34	-1.0	-52.26	293.81	0.72	-51.54
C#CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004660202	0	37	-1.0	-47.89	317.38	5.49	-42.40
C#CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004660202	1	37	-1.0	-47.88	317.44	5.50	-42.38
CC(C)(C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660203	0	32	-1.0	-36.39	279.73	2.95	-33.44
CC(C)(C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660203	1	32	-1.0	-36.32	279.79	2.96	-33.36
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004660204	0	38	-1.0	-46.32	325.69	4.76	-41.56
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004660204	1	38	-1.0	-46.35	325.74	4.78	-41.57
O=C(CCCC1=N[N-]N=N1)NCCCN1CCNC(=O)C1	REAL250004660205	0	41	-1.0	-52.82	330.12	-2.22	-55.04
O=C(CCCC1=NN=N[N-]1)NCCCN1CCNC(=O)C1	REAL250004660205	1	41	-1.0	-52.86	330.18	-2.21	-55.07
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)O1	REAL250004660206	0	35	-1.0	-57.11	297.66	2.45	-54.66
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)O1	REAL250004660206	1	35	-1.0	-57.12	297.71	2.47	-54.65
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004660207	0	40	-1.0	-49.33	324.24	3.58	-45.75
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004660207	1	40	-1.0	-49.29	324.18	3.56	-45.73
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=C(C)ON=C1C	REAL250004660208	0	40	-1.0	-46.27	326.30	3.86	-42.41
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=C(C)ON=C1C	REAL250004660208	1	40	-1.0	-46.29	326.35	3.87	-42.42
N#CC1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660209	0	31	-1.0	-37.01	277.06	4.14	-32.87
N#CC1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660209	1	31	-1.0	-37.02	277.13	4.16	-32.86
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004660210	0	42	-1.0	-52.10	323.49	3.83	-48.27
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004660210	1	42	-1.0	-52.11	323.54	3.84	-48.27
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004660211	0	31	-1.0	-46.58	278.90	1.97	-44.61
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004660211	1	31	-1.0	-46.59	278.95	1.99	-44.60
CCC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660212	0	37	-1.0	-59.86	316.38	4.63	-55.23
CCC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660212	1	37	-1.0	-59.86	316.43	4.64	-55.22
CC1=NC=CN1CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660213	0	41	-1.0	-53.49	340.40	5.73	-47.76
CC1=NC=CN1CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660213	1	41	-1.0	-53.50	340.46	5.74	-47.76
CN(CCC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660214	0	35	-1.0	-35.61	298.07	5.31	-30.30
CN(CCC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660214	1	35	-1.0	-35.58	298.13	5.32	-30.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CCO)C=C1	REAL250004660215	0	36	-1.0	-49.61	307.31	1.47	-48.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CCO)C=C1	REAL250004660215	1	36	-1.0	-49.63	307.36	1.48	-48.15
CN(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660216	0	39	-1.0	-49.27	328.73	3.13	-46.14
CN(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660216	1	39	-1.0	-49.29	328.79	3.15	-46.14
CC(O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660217	0	39	-1.0	-48.99	302.78	1.77	-47.22
CC(O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660217	1	39	-1.0	-49.03	302.84	1.78	-47.25
COC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660218	0	36	-1.0	-48.10	289.26	2.60	-45.50
COC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660218	1	36	-1.0	-48.07	289.32	2.62	-45.45
COC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660219	0	36	-1.0	-34.84	297.26	2.85	-31.99
COC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660219	1	36	-1.0	-34.82	297.32	2.86	-31.96
CCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004660220	0	33	-1.0	-49.52	286.06	1.96	-47.56
CCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004660220	1	33	-1.0	-49.50	286.12	1.97	-47.53
CCC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004660221	0	33	-1.0	-36.04	296.64	1.75	-34.29
CCC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004660221	1	33	-1.0	-35.98	296.71	1.76	-34.22
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004660222	0	33	-1.0	-48.87	284.37	1.24	-47.63
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004660222	1	33	-1.0	-48.86	284.43	1.26	-47.60
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1O	REAL250004660223	0	33	-1.0	-37.09	294.98	1.03	-36.06
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1O	REAL250004660223	1	33	-1.0	-37.05	295.04	1.05	-36.00
CC1=NC(C(C)NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004660224	0	33	-1.0	-48.26	290.83	-0.34	-48.60
CC1=NC(C(C)NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004660224	1	33	-1.0	-48.25	290.89	-0.33	-48.58
CC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660225	0	36	-1.0	-50.87	287.24	1.00	-49.87
CC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660225	1	36	-1.0	-50.88	287.30	1.01	-49.87
CC1(O)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660226	0	36	-1.0	-37.00	295.27	1.18	-35.82
CC1(O)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660226	1	36	-1.0	-36.97	295.33	1.19	-35.78
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1F	REAL250004660227	0	35	-1.0	-52.41	307.33	4.47	-47.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1F	REAL250004660227	1	35	-1.0	-52.38	307.39	4.49	-47.89
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=CC=CC=C2N1	REAL250004660228	0	39	-1.0	-51.36	332.47	4.17	-47.19
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=CC=CC=C2N1	REAL250004660228	1	39	-1.0	-51.38	332.53	4.18	-47.20
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(F)C=C2C1	REAL250004660229	0	36	-1.0	-47.05	301.91	5.86	-41.19
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(F)C=C2C1	REAL250004660229	1	36	-1.0	-47.05	301.97	5.87	-41.18
O=C(CCCC1=NN=N[N-]1)NCCOC1=NC=CC=C1F	REAL250004660230	0	35	-1.0	-50.69	312.78	0.62	-50.07
O=C(CCCC1=N[N-]N=N1)NCCOC1=NC=CC=C1F	REAL250004660230	1	35	-1.0	-50.70	312.72	0.61	-50.09
CC1=CSC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660231	0	29	-1.0	-47.75	260.54	3.04	-44.71
CC1=CSC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660231	1	29	-1.0	-47.78	260.60	3.06	-44.72
CC1=CSC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660232	0	29	-1.0	-35.18	271.19	2.85	-32.33
CC1=CSC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660232	1	29	-1.0	-35.23	271.13	2.84	-32.39
CNC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660233	0	38	-1.0	-57.01	312.10	0.25	-56.76
CNC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660233	1	38	-1.0	-57.04	312.16	0.27	-56.77
O=C(CCCC1=N[N-]N=N1)NC1C2CCC3=CC=CC=C3C21	REAL250004660234	0	40	-1.0	-46.41	324.77	6.41	-40.00
O=C(CCCC1=NN=N[N-]1)NC1C2CCC3=CC=CC=C3C21	REAL250004660234	1	40	-1.0	-46.42	324.83	6.42	-40.00
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1=CC=CC=C1	REAL250004660235	0	36	-1.0	-47.07	308.97	3.52	-43.55
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1=CC=CC=C1	REAL250004660235	1	36	-1.0	-47.07	309.03	3.53	-43.54
O=C(CCCC1=N[N-]N=N1)NC1CCC(=O)NC1=O	REAL250004660236	0	32	-1.0	-56.38	278.89	-1.50	-57.88
O=C(CCCC1=NN=N[N-]1)NC1CCC(=O)NC1=O	REAL250004660236	1	32	-1.0	-56.40	278.94	-1.49	-57.89
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C1)OCCO2	REAL250004660237	0	38	-1.0	-49.68	303.26	2.46	-47.22
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)OCCO2	REAL250004660237	1	38	-1.0	-49.71	303.32	2.47	-47.24
O=C(CCCC1=N[N-]N=N1)NCC1(CC2=CC=CC=C2)CC1	REAL250004660238	0	42	-1.0	-48.50	348.88	6.30	-42.20
O=C(CCCC1=NN=N[N-]1)NCC1(CC2=CC=CC=C2)CC1	REAL250004660238	1	42	-1.0	-48.52	348.94	6.31	-42.21
CC1=CC(C)=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660239	0	34	-1.0	-53.46	292.37	4.31	-49.15
CC1=CC(C)=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660239	1	34	-1.0	-53.48	292.43	4.33	-49.15
CC1=CC(C)=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004660240	0	34	-1.0	-40.03	302.96	4.10	-35.93
CC1=CC(C)=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004660240	1	34	-1.0	-40.03	303.02	4.11	-35.92
CCCCN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004660241	0	41	-1.0	-52.88	338.17	4.01	-48.87
CCCCN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004660241	1	41	-1.0	-52.90	338.22	4.03	-48.87
CC1=NC=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660242	0	34	-1.0	-50.23	307.29	2.20	-48.03
CC1=NC=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004660242	1	34	-1.0	-50.23	307.35	2.21	-48.02
CSC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660243	0	39	-1.0	-46.63	313.51	5.65	-40.98
CSC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660243	1	39	-1.0	-46.65	313.56	5.66	-40.99
N#CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004660244	0	39	-1.0	-47.06	331.26	5.42	-41.64
N#CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004660244	1	39	-1.0	-47.07	331.32	5.43	-41.64
CC1=NN(C)C=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660245	0	38	-1.0	-52.66	324.11	2.59	-50.07
CC1=NN(C)C=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660245	1	38	-1.0	-52.69	324.17	2.60	-50.09
CC1COCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660246	0	36	-1.0	-47.38	276.39	3.14	-44.24
CC1COCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660246	1	36	-1.0	-47.39	276.45	3.15	-44.24
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=N1	REAL250004660247	0	31	-1.0	-49.83	280.47	1.58	-48.25
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=N1	REAL250004660247	1	31	-1.0	-49.87	280.53	1.59	-48.28
O=C(NCC1=CC=CC(F)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660248	0	31	-1.0	-39.85	291.06	1.37	-38.48
O=C(NCC1=CC=CC(F)=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660248	1	31	-1.0	-39.78	291.13	1.37	-38.41
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004660249	0	42	-1.0	-47.62	353.46	6.81	-40.81
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004660249	1	42	-1.0	-47.63	353.51	6.83	-40.80
CCC(CC)C(CCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004660250	0	47	-1.0	-47.00	359.60	3.40	-43.60
CCC(CC)C(CCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004660250	1	47	-1.0	-46.96	359.66	3.42	-43.54
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004660251	0	32	-1.0	-40.05	285.07	2.35	-37.70
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004660251	1	32	-1.0	-40.00	285.14	2.37	-37.63
O=C(CCCC1=N[N-]N=N1)NCC1CN2CCN1CC2	REAL250004660252	0	40	-1.0	-45.82	310.55	-1.96	-47.78
O=C(CCCC1=NN=N[N-]1)NCC1CN2CCN1CC2	REAL250004660252	1	40	-1.0	-45.82	310.61	-1.95	-47.77
CCNC(=O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660253	0	41	-1.0	-56.46	333.58	1.09	-55.37
CCNC(=O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660253	1	41	-1.0	-56.47	333.64	1.10	-55.37
CNC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004660254	0	38	-1.0	-46.25	307.94	0.37	-45.88
CNC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004660254	1	38	-1.0	-46.25	308.00	0.38	-45.87
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004660255	0	40	-1.0	-46.28	315.39	0.42	-45.86
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004660255	1	40	-1.0	-46.26	315.45	0.43	-45.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=CC=C(O)C=C21	REAL250004660256	0	36	-1.0	-49.83	306.60	2.91	-46.92
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=CC=C(O)C=C21	REAL250004660256	1	36	-1.0	-49.83	306.66	2.92	-46.91
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CN=N2)CC1	REAL250004660257	0	38	-1.0	-52.52	310.55	3.09	-49.43
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CN=N2)CC1	REAL250004660257	1	38	-1.0	-52.49	310.49	3.08	-49.41
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004660258	0	40	-1.0	-45.13	328.12	3.45	-41.68
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004660258	1	40	-1.0	-45.17	328.18	3.47	-41.70
COC1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660259	0	39	-1.0	-46.57	313.87	2.15	-44.42
COC1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660259	1	39	-1.0	-46.59	313.94	2.17	-44.42
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCOCC1	REAL250004660260	0	40	-1.0	-48.37	309.98	-0.63	-49.00
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCOCC1	REAL250004660260	1	40	-1.0	-48.36	310.04	-0.62	-48.98
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1F	REAL250004660261	0	31	-1.0	-49.63	275.38	3.06	-46.57
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1F	REAL250004660261	1	31	-1.0	-49.67	275.44	3.07	-46.60
O=C(NNC1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660262	0	31	-1.0	-36.04	285.97	2.83	-33.21
O=C(NNC1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660262	1	31	-1.0	-36.01	286.04	2.85	-33.16
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=C1	REAL250004660263	0	31	-1.0	-47.59	276.32	3.05	-44.54
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=C1	REAL250004660263	1	31	-1.0	-47.66	276.37	3.06	-44.60
N#CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004660264	0	32	-1.0	-48.65	290.67	3.38	-45.27
N#CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004660264	1	32	-1.0	-48.67	290.73	3.39	-45.28
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C=C1	REAL250004660265	0	31	-1.0	-46.08	286.64	3.50	-42.58
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C=C1	REAL250004660265	1	31	-1.0	-46.05	286.70	3.51	-42.54
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC=C1Cl	REAL250004660266	0	31	-1.0	-48.73	284.29	3.53	-45.20
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC=C1Cl	REAL250004660266	1	31	-1.0	-48.81	284.35	3.54	-45.27
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC([N+](=O)[O-])=C1	REAL250004660267	0	33	-1.0	-51.73	298.11	3.65	-48.08
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC([N+](=O)[O-])=C1	REAL250004660267	1	33	-1.0	-51.80	298.17	3.67	-48.13
CC1=CC=C(C)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660268	0	37	-1.0	-46.83	309.13	4.37	-42.46
CC1=CC=C(C)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660268	1	37	-1.0	-46.86	309.19	4.38	-42.48
CC1=CC(F)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004660269	0	34	-1.0	-46.59	294.15	3.77	-42.82
CC1=CC(F)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004660269	1	34	-1.0	-46.63	294.20	3.79	-42.84
CCCN(CC(=O)OCC)C(=O)CCCC1=N[N-]N=N1	REAL250004660270	0	40	-1.0	-49.87	335.02	5.57	-44.30
CCCN(CC(=O)OCC)C(=O)CCCC1=NN=N[N-]1	REAL250004660270	1	40	-1.0	-49.82	335.08	5.59	-44.23
CCOC(=O)CN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004660271	0	37	-1.0	-50.35	313.52	4.81	-45.54
CCOC(=O)CN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004660271	1	37	-1.0	-50.38	313.58	4.83	-45.55
CC1(CNC(=O)CCCC2=N[N-]N=N2)OCCO1	REAL250004660272	0	34	-1.0	-47.68	285.93	0.21	-47.47
CC1(CNC(=O)CCCC2=NN=N[N-]2)OCCO1	REAL250004660272	1	34	-1.0	-47.69	285.99	0.22	-47.47
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OCCO1	REAL250004660273	0	34	-1.0	-36.83	296.52	-0.01	-36.84
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OCCO1	REAL250004660273	1	34	-1.0	-36.78	296.59	-0.00	-36.78
CC1=CN=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660274	0	38	-1.0	-50.37	322.98	4.32	-46.05
CC1=CN=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660274	1	38	-1.0	-50.40	322.92	4.30	-46.10
COC(=O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660275	0	38	-1.0	-49.48	313.68	4.20	-45.28
COC(=O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660275	1	38	-1.0	-49.45	313.74	4.21	-45.24
CCOC(=O)[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660276	0	41	-1.0	-51.34	333.24	5.14	-46.20
CCOC(=O)[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660276	1	41	-1.0	-51.39	333.30	5.16	-46.23
CC1OCCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004660277	0	36	-1.0	-47.03	284.17	2.58	-44.45
CC1OCCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004660277	1	36	-1.0	-47.04	284.23	2.60	-44.44
CC1OCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004660278	0	36	-1.0	-34.81	288.27	2.71	-32.10
CC1OCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004660278	1	36	-1.0	-34.79	288.34	2.72	-32.07
CC1=NOC(C)=C1C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660279	0	40	-1.0	-51.22	327.88	3.43	-47.79
CC1=NOC(C)=C1C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660279	1	40	-1.0	-51.24	327.94	3.44	-47.80
CCC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660280	0	34	-1.0	-52.62	288.84	4.59	-48.03
CCC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660280	1	34	-1.0	-52.58	288.78	4.58	-48.00
CCC1=CC=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660281	0	34	-1.0	-39.75	299.41	4.37	-35.38
CCC1=CC=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660281	1	34	-1.0	-39.78	299.34	4.37	-35.41
C=CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660282	0	36	-1.0	-35.93	308.90	6.28	-29.65
C=CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660282	1	36	-1.0	-35.89	308.97	6.29	-29.60
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NNC=C2C1	REAL250004660283	0	36	-1.0	-50.79	299.56	1.69	-49.10
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NNC=C2C1	REAL250004660283	1	36	-1.0	-50.83	299.62	1.70	-49.13
O=C(NCC1(C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660284	0	36	-1.0	-34.64	303.20	4.03	-30.61
O=C(NCC1(C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660284	1	36	-1.0	-34.61	303.26	4.03	-30.58
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2CC2)=CS1	REAL250004660285	0	35	-1.0	-47.24	314.72	2.68	-44.56
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2CC2)=CS1	REAL250004660285	1	35	-1.0	-47.26	314.78	2.70	-44.56
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=C1O	REAL250004660286	0	30	-1.0	-46.02	268.95	0.69	-45.33
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=C1O	REAL250004660286	1	30	-1.0	-46.05	269.01	0.70	-45.35
CN(OCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004660287	0	36	-1.0	-44.43	311.14	5.45	-38.98
CN(OCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004660287	1	36	-1.0	-44.39	311.20	5.46	-38.93
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660288	0	28	-1.0	-46.85	259.80	1.32	-45.53
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CC(C)(C)SCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660291	1	38	-1.0	-48.27	320.30	3.68	-44.59
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COCC(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004660292	1	36	-1.0	-45.45	294.50	2.40	-43.05
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CCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660296	0	35	-1.0	-36.14	296.28	-0.71	-36.85
CCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660296	1	35	-1.0	-36.18	296.34	-0.70	-36.88
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12OCCO2	REAL250004660297	0	41	-1.0	-48.20	324.61	2.18	-46.02
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12OCCO2	REAL250004660297	1	41	-1.0	-48.18	324.67	2.20	-45.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2C=CCC1CC2	REAL250004660298	0	34	-1.0	-36.42	282.16	4.99	-31.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2C=CCC1CC2	REAL250004660298	1	34	-1.0	-36.42	282.23	4.99	-31.43
O=C(CCCC1=N[N-]N=N1)NCC1(C2CC2)CCC1	REAL250004660299	0	39	-1.0	-46.14	307.45	4.73	-41.41
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CC(C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660301	0	37	-1.0	-35.42	309.72	3.32	-32.10
CC(C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660301	1	37	-1.0	-35.38	309.79	3.34	-32.04
CC(=O)OC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660302	0	38	-1.0	-52.28	312.61	4.47	-47.81
CC(=O)OC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660302	1	38	-1.0	-52.30	312.67	4.49	-47.81
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004660303	0	42	-1.0	-48.88	329.26	5.63	-43.25
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004660303	1	42	-1.0	-48.86	329.32	5.64	-43.22
COC1=CC(C)=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660304	0	39	-1.0	-47.59	330.00	3.43	-44.16
COC1=CC(C)=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660304	1	39	-1.0	-47.61	330.05	3.45	-44.16
COC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660305	0	35	-1.0	-48.78	303.80	0.95	-47.83
COC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660305	1	35	-1.0	-48.78	303.86	0.96	-47.82
CCC1(CC)C(NC(=O)CCCC2=N[N-]N=N2)CC1OC	REAL250004660308	0	45	-1.0	-45.67	347.66	3.57	-42.10
CCC1(CC)C(NC(=O)CCCC2=NN=N[N-]2)CC1OC	REAL250004660308	1	45	-1.0	-45.69	347.72	3.59	-42.10
CC(C)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660309	0	32	-1.0	-36.10	284.74	2.79	-33.31
CC(C)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660309	1	32	-1.0	-36.11	284.81	2.80	-33.31
CCOCCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660310	0	42	-1.0	-46.88	346.42	3.24	-43.64
CCOCCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660310	1	42	-1.0	-46.85	346.48	3.26	-43.59
CC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660311	0	39	-1.0	-51.37	302.79	1.73	-49.64
CC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660311	1	39	-1.0	-51.40	302.84	1.75	-49.65
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CC1=NNC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660313	0	33	-1.0	-47.21	295.65	-0.71	-47.92
CC1=NNC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660313	1	33	-1.0	-47.23	295.71	-0.70	-47.93
CN(CC1(O)CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660315	0	39	-1.0	-46.25	303.35	2.24	-44.01
CN(CC1(O)CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660315	1	39	-1.0	-46.27	303.40	2.26	-44.01
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004660316	0	43	-1.0	-53.03	342.10	3.81	-49.22
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004660316	1	43	-1.0	-53.10	342.16	3.82	-49.28
CSC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660317	0	32	-1.0	-36.49	291.49	2.18	-34.31
CSC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660317	1	32	-1.0	-36.46	291.56	2.20	-34.26
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O=C(CCCC1=NN=N[N-]1)N1CCC2=CNN=C2C1	REAL250004660319	1	33	-1.0	-49.00	275.29	2.21	-46.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=CNN=C2C1	REAL250004660320	0	33	-1.0	-40.06	282.71	2.47	-37.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=CNN=C2C1	REAL250004660320	1	33	-1.0	-39.98	282.78	2.47	-37.51
CC1=CC=CC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004660321	0	38	-1.0	-45.91	313.72	4.53	-41.38
CC1=CC=CC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004660321	1	38	-1.0	-45.91	313.77	4.54	-41.37
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C([N+](=O)[O-])C=C1	REAL250004660322	0	33	-1.0	-49.37	298.10	3.65	-45.72
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C([N+](=O)[O-])C=C1	REAL250004660322	1	33	-1.0	-49.44	298.16	3.67	-45.77
CC(C)C(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004660323	0	38	-1.0	-46.77	302.21	-0.03	-46.80
CC(C)C(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660323	1	38	-1.0	-46.77	302.26	-0.01	-46.78
CC(C)C(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660324	0	38	-1.0	-36.10	312.79	-0.23	-36.33
CC(C)C(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660324	1	38	-1.0	-36.05	312.86	-0.20	-36.25
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CC1	REAL250004660325	0	36	-1.0	-46.85	293.90	0.83	-46.02
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CC1	REAL250004660325	1	36	-1.0	-46.88	293.95	0.85	-46.03
CC(C)C1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660326	0	37	-1.0	-52.23	305.88	5.12	-47.11
CC(C)C1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660326	1	37	-1.0	-52.24	305.83	5.10	-47.14
CC(CO)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660327	0	35	-1.0	-36.90	293.71	-1.02	-37.92
CC(CO)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660327	1	35	-1.0	-36.86	293.77	-1.01	-37.87
O=C(NC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660328	0	30	-1.0	-35.61	264.56	-0.18	-35.79
O=C(NC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660328	1	30	-1.0	-35.63	264.63	-0.17	-35.80
CCOCCO[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660329	0	43	-1.0	-49.66	353.94	3.07	-46.59
CCOCCO[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660329	1	43	-1.0	-49.66	354.00	3.08	-46.58
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004660330	0	40	-1.0	-44.49	323.50	3.56	-40.93
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004660330	1	40	-1.0	-44.49	323.56	3.58	-40.91
COC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660332	0	34	-1.0	-46.91	299.40	0.87	-46.04
COC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660332	1	34	-1.0	-46.94	299.46	0.88	-46.06
O=C(CCCC1=N[N-]N=N1)NCCCOCCO	REAL250004660333	0	36	-1.0	-49.57	307.57	-1.86	-51.43
O=C(CCCC1=NN=N[N-]1)NCCCOCCO	REAL250004660333	1	36	-1.0	-49.55	307.63	-1.84	-51.39
O=C(NCCCOCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660334	0	36	-1.0	-38.96	318.17	-2.06	-41.02
O=C(NCCCOCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660334	1	36	-1.0	-38.94	318.23	-2.05	-40.99
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2CCCCN21	REAL250004660335	0	35	-1.0	-61.52	293.21	5.96	-55.56
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2CCCCN21	REAL250004660335	1	35	-1.0	-61.53	293.27	5.97	-55.56
CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004660336	0	34	-1.0	-53.45	288.61	4.49	-48.96
CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004660336	1	34	-1.0	-53.39	288.56	4.48	-48.91
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL250004660337	0	34	-1.0	-39.92	299.19	4.27	-35.65
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL250004660337	1	34	-1.0	-39.91	299.12	4.26	-35.65
C=CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660338	0	35	-1.0	-60.76	317.08	-0.54	-61.30
C=CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660338	1	35	-1.0	-60.81	317.14	-0.53	-61.34
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004660339	0	38	-1.0	-46.14	316.85	5.00	-41.14
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004660339	1	38	-1.0	-46.14	316.90	5.02	-41.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(F)(F)C1	REAL250004660340	0	26	-1.0	-36.09	248.24	2.16	-33.93
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(F)(F)C1	REAL250004660340	1	26	-1.0	-36.02	248.31	2.17	-33.85
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004660341	0	37	-1.0	-50.78	317.83	3.97	-46.81
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004660341	1	37	-1.0	-50.78	317.89	3.99	-46.79
O=C(CCCC1=N[N-]N=N1)NCC1CCCCS1	REAL250004660342	0	36	-1.0	-46.31	302.15	3.68	-42.63
O=C(CCCC1=NN=N[N-]1)NCC1CCCCS1	REAL250004660342	1	36	-1.0	-46.32	302.21	3.70	-42.62
CCCCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004660343	0	41	-1.0	-56.19	340.01	2.29	-53.90
CCCCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004660343	1	41	-1.0	-56.17	340.07	2.30	-53.87
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004660344	0	39	-1.0	-46.99	309.87	2.27	-44.72
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004660344	1	39	-1.0	-47.01	309.92	2.29	-44.72
CC1(C#N)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660345	0	36	-1.0	-55.93	294.78	4.36	-51.57
CC1(C#N)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660345	1	36	-1.0	-55.94	294.84	4.38	-51.56
CC1(C#N)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660346	0	36	-1.0	-43.34	302.81	4.53	-38.81
CC1(C#N)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660346	1	36	-1.0	-43.31	302.87	4.55	-38.76
O=C(CCCC1=N[N-]N=N1)N1CCC2(COC(=O)N2)CC1	REAL250004660347	0	38	-1.0	-53.24	305.61	0.98	-52.26
O=C(CCCC1=NN=N[N-]1)N1CCC2(COC(=O)N2)CC1	REAL250004660347	1	38	-1.0	-53.27	305.66	0.99	-52.28
CC(C)(C)OC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660348	0	42	-1.0	-50.33	336.60	3.01	-47.32
CC(C)(C)OC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660348	1	42	-1.0	-50.35	336.66	3.02	-47.33
CC(C)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004660349	0	39	-1.0	-47.65	309.07	3.21	-44.44
CC(C)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004660349	1	39	-1.0	-47.64	309.13	3.23	-44.41
CC1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004660351	0	36	-1.0	-47.34	300.22	5.72	-41.62
CC1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004660351	1	36	-1.0	-47.33	300.28	5.73	-41.60
CC(C)OCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660352	0	41	-1.0	-48.40	337.97	2.79	-45.61
CC(C)OCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660352	1	41	-1.0	-48.43	338.03	2.80	-45.63
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCO)CC1	REAL250004660353	0	42	-1.0	-48.44	328.81	2.29	-46.15
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCO)CC1	REAL250004660353	1	42	-1.0	-48.46	328.87	2.31	-46.15
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCOC2)CC1	REAL250004660354	0	43	-1.0	-48.41	329.48	4.10	-44.31
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCOC2)CC1	REAL250004660354	1	43	-1.0	-48.38	329.53	4.12	-44.26
CC(C)(O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660355	0	39	-1.0	-49.15	301.85	3.69	-45.46
CC(C)(O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660355	1	39	-1.0	-49.23	301.90	3.71	-45.52
CN(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660356	0	37	-1.0	-51.50	312.55	-0.33	-51.83
CN(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660356	1	37	-1.0	-51.54	312.61	-0.32	-51.86
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CN1	REAL250004660357	0	36	-1.0	-54.23	301.15	3.12	-51.11
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CN1	REAL250004660357	1	36	-1.0	-54.29	301.21	3.14	-51.15
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(=O)N1	REAL250004660358	0	32	-1.0	-51.33	283.47	0.26	-51.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(=O)N1	REAL250004660358	1	32	-1.0	-51.35	283.53	0.27	-51.08
O=C(NCC1=CC=CC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660359	0	32	-1.0	-42.96	294.06	0.05	-42.91
O=C(NCC1=CC=CC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660359	1	32	-1.0	-42.95	294.13	0.05	-42.90
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660360	0	41	-1.0	-47.30	315.09	4.97	-42.33
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660360	1	41	-1.0	-47.35	315.15	4.98	-42.37
O=C(CCCC1=N[N-]N=N1)NCCC1CCCCO1	REAL250004660361	0	39	-1.0	-48.78	315.19	2.36	-46.42
O=C(CCCC1=NN=N[N-]1)NCCC1CCCCO1	REAL250004660361	1	39	-1.0	-48.78	315.25	2.38	-46.40
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=NN1	REAL250004660362	0	36	-1.0	-51.23	317.48	-1.60	-52.83
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=NN1	REAL250004660362	1	36	-1.0	-51.26	317.54	-1.58	-52.84
CC(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660363	0	36	-1.0	-49.95	294.95	0.88	-49.07
CC(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660363	1	36	-1.0	-49.97	295.01	0.90	-49.07
CC(O)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660364	0	36	-1.0	-36.74	297.65	1.34	-35.40
CC(O)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660364	1	36	-1.0	-36.70	297.71	1.35	-35.35
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL250004660365	0	42	-1.0	-47.46	315.79	5.54	-41.92
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL250004660365	1	42	-1.0	-47.48	315.85	5.56	-41.92
COCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL250004660366	0	39	-1.0	-48.21	334.73	2.41	-45.80
COCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004660366	1	39	-1.0	-48.21	334.78	2.42	-45.79
O=C(CCCC1=N[N-]N=N1)NCC1CC(=O)N(C2CC2)C1	REAL250004660367	0	40	-1.0	-51.78	330.04	2.81	-48.97
O=C(CCCC1=NN=N[N-]1)NCC1CC(=O)N(C2CC2)C1	REAL250004660367	1	40	-1.0	-51.75	330.10	2.82	-48.93
C#CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660368	0	32	-1.0	-38.09	287.70	0.75	-37.34
C#CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660368	1	32	-1.0	-38.04	287.77	0.75	-37.29
C#CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660369	0	31	-1.0	-39.00	291.01	0.85	-38.15
C#CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660369	1	31	-1.0	-38.98	291.07	0.86	-38.12
C=CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660370	0	37	-1.0	-48.38	311.26	3.41	-44.97
C=CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660370	1	37	-1.0	-48.39	311.32	3.42	-44.97
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004660371	0	41	-1.0	-46.43	314.05	5.52	-40.91
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004660371	1	41	-1.0	-46.44	314.10	5.54	-40.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CO)C1	REAL250004660372	0	30	-1.0	-39.38	267.18	-0.72	-40.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CO)C1	REAL250004660372	1	30	-1.0	-39.36	267.24	-0.72	-40.08
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=N2)CC1	REAL250004660373	0	38	-1.0	-46.25	323.65	3.82	-42.43
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=N2)CC1	REAL250004660373	1	38	-1.0	-46.20	323.59	3.81	-42.39
CC(CS(C)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660374	0	36	-1.0	-51.94	303.95	2.61	-49.33
CC(CS(C)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660374	1	36	-1.0	-51.95	304.01	2.62	-49.33
CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004660375	0	32	-1.0	-45.84	278.40	4.12	-41.72
CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004660375	1	32	-1.0	-45.84	278.45	4.13	-41.71
CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1F	REAL250004660376	0	32	-1.0	-36.74	289.88	3.92	-32.82
CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1F	REAL250004660376	1	32	-1.0	-36.74	289.81	3.91	-32.83
CC1=CC=NC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660377	0	37	-1.0	-47.33	306.23	3.00	-44.33
CC1=CC=NC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660377	1	37	-1.0	-47.31	306.28	3.02	-44.29
C=CCCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660378	0	38	-1.0	-46.97	316.23	4.35	-42.62
C=CCCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660378	1	38	-1.0	-46.96	316.29	4.37	-42.59
C=CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660379	0	38	-1.0	-35.80	326.83	4.14	-31.66
C=CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660379	1	38	-1.0	-35.79	326.90	4.17	-31.62
COCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004660380	0	35	-1.0	-51.27	306.53	0.65	-50.62
COCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004660380	1	35	-1.0	-51.29	306.58	0.67	-50.62
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004660381	0	36	-1.0	-52.67	309.09	-2.47	-55.14
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004660381	1	36	-1.0	-52.73	309.15	-2.46	-55.19
COC1C(C)C(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004660382	0	42	-1.0	-49.42	333.04	3.06	-46.36
COC1C(C)C(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004660382	1	42	-1.0	-49.44	333.09	3.07	-46.37
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=CC=C2)=CN1	REAL250004660383	0	36	-1.0	-46.99	311.41	6.35	-40.64
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=CC=C2)=CN1	REAL250004660383	1	36	-1.0	-47.01	311.47	6.36	-40.65
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CC=CN2)C=C1	REAL250004660384	0	37	-1.0	-51.08	315.53	4.79	-46.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CC=CN2)C=C1	REAL250004660384	1	37	-1.0	-51.06	315.59	4.80	-46.26
CN(CC(O)C(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004660385	0	32	-1.0	-46.93	283.85	1.14	-45.79
CN(CC(O)C(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004660385	1	32	-1.0	-46.91	283.91	1.16	-45.75
O=C(CCCC1=N[N-]N=N1)NCCCCCCO	REAL250004660386	0	38	-1.0	-49.25	316.59	0.22	-49.03
O=C(CCCC1=NN=N[N-]1)NCCCCCCO	REAL250004660386	1	38	-1.0	-49.28	316.65	0.24	-49.04
O=C(NCCCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660387	0	38	-1.0	-37.25	327.18	0.02	-37.23
O=C(NCCCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660387	1	38	-1.0	-37.27	327.25	0.04	-37.23
CC[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660388	0	32	-1.0	-36.47	281.23	-1.21	-37.68
CC[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660388	1	32	-1.0	-36.47	281.30	-1.20	-37.67
C=CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660389	0	33	-1.0	-36.20	279.97	5.31	-30.89
C=CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660389	1	33	-1.0	-36.16	280.04	5.31	-30.85
CCCC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660390	0	38	-1.0	-50.12	318.21	4.14	-45.98
CCCC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660390	1	38	-1.0	-50.14	318.27	4.16	-45.98
NC(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660391	0	35	-1.0	-55.81	299.85	-1.15	-56.96
NC(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660391	1	35	-1.0	-55.85	299.91	-1.13	-56.98
NC(=O)CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660392	0	35	-1.0	-42.30	310.44	-1.35	-43.65
NC(=O)CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660392	1	35	-1.0	-42.31	310.51	-1.34	-43.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC=C(F)C1	REAL250004660394	0	30	-1.0	-35.46	262.93	3.86	-31.60
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC=C(F)C1	REAL250004660394	1	30	-1.0	-35.40	263.00	3.88	-31.52
CSC1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660397	0	36	-1.0	-52.00	310.99	5.22	-46.78
CSC1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660397	1	36	-1.0	-52.01	311.05	5.24	-46.77
CN(CC1=NC=C(Cl)N1C)C(=O)CCCC1=N[N-]N=N1	REAL250004660398	0	35	-1.0	-55.41	310.41	4.22	-51.19
CN(CC1=NC=C(Cl)N1C)C(=O)CCCC1=NN=N[N-]1	REAL250004660398	1	35	-1.0	-55.43	310.47	4.23	-51.20
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660399	0	35	-1.0	-35.68	288.57	5.50	-30.18
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660399	1	35	-1.0	-35.69	288.64	5.50	-30.19
CC(C)CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660400	0	45	-1.0	-46.41	353.04	3.63	-42.78
CC(C)CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660400	1	45	-1.0	-46.46	353.10	3.65	-42.81
CC(O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660401	0	32	-1.0	-38.01	275.44	0.53	-37.48
CC(O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660401	1	32	-1.0	-38.00	275.51	0.54	-37.46
CCCCN(CCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004660402	0	41	-1.0	-49.64	333.15	2.47	-47.17
CCCCN(CCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004660402	1	41	-1.0	-49.66	333.21	2.48	-47.18
O=C(NOC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660403	0	33	-1.0	-36.26	287.91	3.40	-32.86
O=C(NOC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660403	1	33	-1.0	-36.20	287.98	3.41	-32.79
CCC(C)N1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004660404	0	41	-1.0	-49.59	335.16	4.76	-44.83
CCC(C)N1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004660404	1	41	-1.0	-49.61	335.22	4.77	-44.84
COCCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660405	0	42	-1.0	-47.01	345.67	2.60	-44.41
COCCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660405	1	42	-1.0	-46.96	345.73	2.62	-44.34
O=C(CCCC1=N[N-]N=N1)NNC1=CC(Cl)=CC=N1	REAL250004660406	0	30	-1.0	-46.16	284.00	2.78	-43.38
O=C(CCCC1=NN=N[N-]1)NNC1=CC(Cl)=CC=N1	REAL250004660406	1	30	-1.0	-46.20	284.05	2.79	-43.41
CC(C)(C)OC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660407	0	40	-1.0	-52.49	329.55	3.26	-49.23
CC(C)(C)OC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660407	1	40	-1.0	-52.48	329.60	3.28	-49.20
CCOCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660408	0	35	-1.0	-35.95	298.43	3.13	-32.82
CCOCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660408	1	35	-1.0	-35.96	298.50	3.15	-32.81
CC(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660409	0	42	-1.0	-45.75	327.52	3.21	-42.54
CC(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660409	1	42	-1.0	-45.81	327.58	3.23	-42.58
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(CO)C=C1	REAL250004660410	0	39	-1.0	-50.43	333.40	1.58	-48.85
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(CO)C=C1	REAL250004660410	1	39	-1.0	-50.48	333.45	1.59	-48.89
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2C=C1	REAL250004660411	0	36	-1.0	-48.65	313.48	4.45	-44.20
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2C=C1	REAL250004660411	1	36	-1.0	-48.65	313.54	4.46	-44.19
CCOC(=O)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660412	0	35	-1.0	-53.83	310.92	2.23	-51.60
CCOC(=O)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660412	1	35	-1.0	-53.80	310.98	2.24	-51.56
O=C(NCC1=CC=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660413	0	28	-1.0	-37.28	264.64	0.83	-36.45
O=C(NCC1=CC=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660413	1	28	-1.0	-37.25	264.71	0.84	-36.41
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2)C1	REAL250004660414	0	37	-1.0	-48.63	317.29	6.43	-42.20
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2)C1	REAL250004660414	1	37	-1.0	-48.66	317.35	6.44	-42.22
CC(=O)C1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660415	1	35	-1.0	-58.69	303.71	1.06	-57.63
CC(=O)C1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660415	1	35	-1.0	-58.74	303.77	1.08	-57.66
CC1CCC2=CC=CC=C2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660417	0	42	-1.0	-48.62	329.97	6.21	-42.41
CC1CCC2=CC=CC=C2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660417	1	42	-1.0	-48.64	330.04	6.22	-42.42
CC(CCO)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004660418	0	45	-1.0	-49.29	343.11	1.70	-47.59
CC(CCO)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004660418	1	45	-1.0	-49.32	343.17	1.71	-47.61
CC(C)C(O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660419	0	42	-1.0	-46.18	332.71	1.34	-44.84
CC(C)C(O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660419	1	42	-1.0	-46.19	332.76	1.35	-44.84
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1N(C)C	REAL250004660420	0	40	-1.0	-46.99	323.96	4.19	-42.80
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1N(C)C	REAL250004660420	1	40	-1.0	-47.01	324.02	4.20	-42.81
CN1C(CNC(=O)CCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004660423	0	38	-1.0	-51.60	326.24	3.82	-47.78
CN1C(CNC(=O)CCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004660423	1	38	-1.0	-51.61	326.30	3.84	-47.77
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=N1	REAL250004660424	0	31	-1.0	-46.76	290.81	2.12	-44.64
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=N1	REAL250004660424	1	31	-1.0	-46.78	290.87	2.14	-44.64
CN(C)C1=NC=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660425	0	38	-1.0	-49.03	325.89	3.85	-45.18
CN(C)C1=NC=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660425	1	38	-1.0	-49.07	325.95	3.87	-45.20
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660426	0	39	-1.0	-46.67	305.57	3.38	-43.29
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660426	1	39	-1.0	-46.68	305.63	3.40	-43.28
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CCC1	REAL250004660427	0	30	-1.0	-35.00	256.59	3.82	-31.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CCC1	REAL250004660427	1	30	-1.0	-34.94	256.66	3.84	-31.10
CC1=C(CCNC(=O)CCCC2=N[N-]N=N2)SC=C1	REAL250004660428	0	35	-1.0	-48.15	309.36	3.90	-44.25
CC1=C(CCNC(=O)CCCC2=NN=N[N-]2)SC=C1	REAL250004660428	1	35	-1.0	-48.15	309.42	3.91	-44.24
O=C(CCCC1=N[N-]N=N1)NCC1COC2(CCCC2)O1	REAL250004660429	0	41	-1.0	-46.97	333.05	2.12	-44.85
O=C(CCCC1=NN=N[N-]1)NCC1COC2(CCCC2)O1	REAL250004660429	1	41	-1.0	-46.98	333.11	2.13	-44.85
C=CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660430	0	33	-1.0	-46.74	290.95	-0.49	-47.23
C=CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660430	1	33	-1.0	-46.78	291.01	-0.47	-47.25
C=CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660431	0	33	-1.0	-39.74	301.54	-0.70	-40.44
C=CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660431	1	33	-1.0	-39.71	301.61	-0.69	-40.40
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660432	0	39	-1.0	-47.66	313.47	2.24	-45.42
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660432	1	39	-1.0	-47.66	313.53	2.25	-45.41
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004660433	0	42	-1.0	-47.31	314.52	5.63	-41.68
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004660433	1	42	-1.0	-47.38	314.58	5.65	-41.73
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004660434	0	44	-1.0	-45.87	318.65	4.67	-41.20
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004660434	1	44	-1.0	-45.85	318.70	4.68	-41.17
CCC1=CN=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660435	0	40	-1.0	-47.50	325.26	3.69	-43.81
CCC1=CN=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660435	1	40	-1.0	-47.53	325.31	3.71	-43.82
CCC(CSC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660436	0	38	-1.0	-50.63	318.05	5.55	-45.08
CCC(CSC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660436	1	38	-1.0	-50.66	318.11	5.56	-45.10
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004660437	0	34	-1.0	-47.86	291.73	0.61	-47.25
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004660437	1	34	-1.0	-47.86	291.79	0.63	-47.23
COC1C(C)C(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004660438	0	43	-1.0	-47.12	345.83	3.97	-43.15
COC1C(C)C(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004660438	1	43	-1.0	-47.12	345.89	3.99	-43.13
NC1=NC(Cl)=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660439	0	31	-1.0	-46.24	294.26	1.88	-44.36
NC1=NC(Cl)=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660439	1	31	-1.0	-46.21	294.31	1.90	-44.31
O=C(CCCC1=N[N-]N=N1)NC1CCCOCC1	REAL250004660440	0	36	-1.0	-47.40	284.61	1.20	-46.20
O=C(CCCC1=NN=N[N-]1)NC1CCCOCC1	REAL250004660440	1	36	-1.0	-47.45	284.67	1.21	-46.24
O=C(NC1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660441	0	36	-1.0	-35.76	295.20	0.99	-34.77
O=C(NC1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660441	1	36	-1.0	-35.76	295.27	0.99	-34.77
O=C(CCCC1=N[N-]N=N1)NC1CCC(CO)CC1	REAL250004660442	0	39	-1.0	-49.16	308.52	0.86	-48.30
O=C(CCCC1=NN=N[N-]1)NC1CCC(CO)CC1	REAL250004660442	1	39	-1.0	-49.19	308.58	0.88	-48.31
CCC1CCC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004660443	0	38	-1.0	-46.20	287.75	4.62	-41.58
CCC1CCC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004660443	1	38	-1.0	-46.21	287.81	4.64	-41.57
CCC1CCC(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660444	0	38	-1.0	-36.80	305.77	5.32	-31.48
CCC1CCC(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660444	1	38	-1.0	-36.75	305.84	5.33	-31.42
NC(=O)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660445	0	30	-1.0	-39.32	279.78	-3.69	-43.01
NC(=O)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660445	1	30	-1.0	-39.31	279.84	-3.68	-42.99
C=CCN(CCC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004660446	0	39	-1.0	-48.19	333.39	6.00	-42.19
C=CCN(CCC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004660446	1	39	-1.0	-48.23	333.44	6.01	-42.22
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)O1	REAL250004660447	0	42	-1.0	-45.43	324.97	2.94	-42.49
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)O1	REAL250004660447	1	42	-1.0	-45.47	325.03	2.96	-42.51
COCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660448	0	42	-1.0	-46.32	322.71	3.70	-42.62
COCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660448	1	42	-1.0	-46.33	322.77	3.71	-42.62
COC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004660449	0	39	-1.0	-46.69	317.18	2.18	-44.51
COC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004660449	1	39	-1.0	-46.73	317.24	2.19	-44.54
O=C(CCCC1=N[N-]N=N1)NC1CCC2(C1)OCCO2	REAL250004660450	0	38	-1.0	-49.31	311.23	1.39	-47.92
O=C(CCCC1=NN=N[N-]1)NC1CCC2(C1)OCCO2	REAL250004660450	1	38	-1.0	-49.29	311.29	1.40	-47.89
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCOCC1	REAL250004660451	0	43	-1.0	-48.46	327.92	4.67	-43.79
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCOCC1	REAL250004660451	1	43	-1.0	-48.47	327.98	4.68	-43.79
CSC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004660452	0	35	-1.0	-47.01	317.47	2.88	-44.13
CSC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004660452	1	35	-1.0	-47.01	317.53	2.89	-44.12
CC(C(N)=O)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660453	0	32	-1.0	-41.75	274.94	-0.30	-42.05
CC(C(N)=O)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660453	1	32	-1.0	-41.69	275.00	-0.29	-41.98
C=CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004660454	0	38	-1.0	-44.87	320.95	3.35	-41.52
C=CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004660454	1	38	-1.0	-44.86	321.01	3.36	-41.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004660455	0	39	-1.0	-45.70	309.93	2.35	-43.35
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004660455	1	39	-1.0	-45.72	309.99	2.37	-43.35
CCOCCOC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660456	0	40	-1.0	-48.80	337.78	2.23	-46.57
CCOCCOC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660456	1	40	-1.0	-48.82	337.83	2.25	-46.57
CCCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004660457	0	34	-1.0	-51.87	304.48	4.31	-47.56
CCCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660457	1	34	-1.0	-51.85	304.42	4.30	-47.55
CC(C)(CCCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660458	0	41	-1.0	-47.60	323.70	0.60	-47.00
CC(C)(CCCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660458	1	41	-1.0	-47.61	323.76	0.61	-47.00
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CC=N1	REAL250004660459	0	33	-1.0	-52.46	289.56	0.60	-51.86
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CC=N1	REAL250004660459	1	33	-1.0	-52.47	289.62	0.62	-51.85
O=C(NCCC1=CN=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660460	0	33	-1.0	-39.59	300.16	0.40	-39.19
O=C(NCCC1=CN=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660460	1	33	-1.0	-39.55	300.23	0.41	-39.14
CSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004660461	0	36	-1.0	-47.66	309.07	5.18	-42.48
CSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004660461	1	36	-1.0	-47.68	309.13	5.19	-42.49
O=C(CCCC1=N[N-]N=N1)NCCCC(=O)NC1CC1	REAL250004660462	0	39	-1.0	-50.52	331.88	1.27	-49.25
O=C(CCCC1=NN=N[N-]1)NCCCC(=O)NC1CC1	REAL250004660462	1	39	-1.0	-50.49	331.94	1.29	-49.20
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCOC2)C1	REAL250004660464	0	41	-1.0	-46.99	322.47	0.61	-46.38
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCOC2)C1	REAL250004660464	1	41	-1.0	-46.95	322.53	0.63	-46.32
O=C(CCCC1=N[N-]N=N1)NCC1CCC2=CC=CC=C2C1	REAL250004660465	0	42	-1.0	-47.13	339.58	5.97	-41.16
O=C(CCCC1=NN=N[N-]1)NCC1CCC2=CC=CC=C2C1	REAL250004660465	1	42	-1.0	-47.10	339.64	5.98	-41.12
CCC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004660466	0	37	-1.0	-46.36	310.47	3.13	-43.23
CCC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004660466	1	37	-1.0	-46.37	310.52	3.14	-43.23
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC1CC1	REAL250004660467	0	36	-1.0	-46.62	309.68	0.52	-46.10
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC1CC1	REAL250004660467	1	36	-1.0	-46.62	309.74	0.53	-46.09
CCC1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660468	0	42	-1.0	-46.89	325.72	1.35	-45.54
CCC1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660468	1	42	-1.0	-46.87	325.77	1.37	-45.50
N#CC1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660469	0	31	-1.0	-46.82	274.73	3.64	-43.18
N#CC1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660469	1	31	-1.0	-46.86	274.79	3.66	-43.20
CC1C(C)N(C(=O)CCCC2=N[N-]N=N2)CCN1C	REAL250004660470	1	40	-1.0	-45.80	301.11	2.10	-43.70
CC1C(C)N(C(=O)CCCC2=NN=N[N-]2)CCN1C	REAL250004660470	1	40	-1.0	-45.86	301.17	2.12	-43.74
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CCOCC1	REAL250004660471	0	37	-1.0	-47.03	307.02	-0.34	-47.37
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CCOCC1	REAL250004660471	1	37	-1.0	-47.04	307.08	-0.33	-47.37
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004660472	0	36	-1.0	-46.39	290.38	2.69	-43.70
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004660472	1	36	-1.0	-46.41	290.44	2.70	-43.71
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)O1	REAL250004660473	0	36	-1.0	-34.63	298.03	2.96	-31.67
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)O1	REAL250004660473	1	36	-1.0	-34.61	298.09	2.97	-31.64
O=C(CCCC1=N[N-]N=N1)NC1CC12CCCCC2	REAL250004660474	0	39	-1.0	-46.58	309.79	4.62	-41.96
O=C(CCCC1=NN=N[N-]1)NC1CC12CCCCC2	REAL250004660474	1	39	-1.0	-46.62	309.85	4.63	-41.99
O=C(NC1CC12CCCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660475	0	39	-1.0	-34.84	320.90	4.40	-30.44
O=C(NC1CC12CCCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660475	1	39	-1.0	-34.80	320.97	4.41	-30.39
CN(CCC1=CN=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004660476	0	36	-1.0	-50.10	307.66	2.73	-47.37
CN(CCC1=CN=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004660476	1	36	-1.0	-50.14	307.71	2.74	-47.40
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)(F)C1	REAL250004660477	0	29	-1.0	-34.87	262.58	3.25	-31.62
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CCC(CSC)NC(=O)CCCC1=NN=N[N-]1	REAL250004660491	1	35	-1.0	-47.93	298.03	3.20	-44.73
CCC(CSC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660492	0	35	-1.0	-37.49	308.56	2.99	-34.50
CCC(CSC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660492	1	35	-1.0	-37.45	308.62	3.00	-34.45
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CC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660493	1	34	-1.0	-46.96	295.43	2.35	-44.61
CC1=CN=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004660494	0	34	-1.0	-36.85	305.97	2.12	-34.73
CC1=CN=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004660494	1	34	-1.0	-36.85	306.03	2.13	-34.72
CC(C#N)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004660495	0	36	-1.0	-48.53	294.65	4.98	-43.55
CC(C#N)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004660495	1	36	-1.0	-48.56	294.71	4.99	-43.57
CC(C#N)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004660496	0	36	-1.0	-39.52	303.77	5.84	-33.68
CC(C#N)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004660496	1	36	-1.0	-39.48	303.84	5.84	-33.64
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC=C2C1	REAL250004660497	0	39	-1.0	-47.76	309.27	6.39	-41.37
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC=C2C1	REAL250004660497	1	39	-1.0	-47.77	309.33	6.40	-41.37
CC(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004660499	0	38	-1.0	-46.01	309.34	0.29	-45.72
CC(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660499	1	38	-1.0	-46.05	309.40	0.30	-45.75
CC(C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660500	0	38	-1.0	-36.46	319.99	0.09	-36.37
CC(C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660500	1	38	-1.0	-36.43	320.06	0.12	-36.31
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CC(NC(=O)CCCC1=N[N-]N=N1)C1=NNC=N1	REAL250004660504	0	31	-1.0	-50.69	273.82	1.24	-49.45
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NNC=N1	REAL250004660504	1	31	-1.0	-50.69	273.88	1.25	-49.44
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNC=N1	REAL250004660505	0	31	-1.0	-40.46	284.43	1.06	-39.40
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNC=N1	REAL250004660505	1	31	-1.0	-40.41	284.49	1.07	-39.34
CCCC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660506	0	39	-1.0	-50.12	304.41	1.57	-48.55
CCCC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660506	1	39	-1.0	-50.11	304.46	1.59	-48.52
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CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(F)(F)F	REAL250004660508	0	35	-1.0	-47.20	299.24	0.24	-46.96
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(F)(F)F	REAL250004660508	1	35	-1.0	-47.23	299.30	0.26	-46.97
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC2=NNC=C21	REAL250004660510	0	35	-1.0	-52.91	300.48	2.70	-50.21
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC2=NNC=C21	REAL250004660510	1	35	-1.0	-52.95	300.53	2.71	-50.24
COC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660511	0	33	-1.0	-35.97	285.16	1.54	-34.43
COC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660511	1	33	-1.0	-35.94	285.23	1.55	-34.39
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O=C(CCCC1=N[N-]N=N1)NC1CCC(F)(F)CC1	REAL250004660514	0	35	-1.0	-46.61	292.54	3.28	-43.33
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CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004660515	0	32	-1.0	-35.32	271.98	2.12	-33.20
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004660515	1	32	-1.0	-35.33	272.05	2.12	-33.21
COC(=O)CN(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660516	0	39	-1.0	-53.27	326.24	0.29	-52.98
COC(=O)CN(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660516	1	39	-1.0	-53.25	326.30	0.31	-52.94
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O=C(CCCC1=NN=N[N-]1)N(CC(F)F)CC1CCC1	REAL250004660517	1	38	-1.0	-51.12	310.76	5.68	-45.44
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL250004660518	0	42	-1.0	-46.98	331.56	6.87	-40.11
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL250004660518	1	42	-1.0	-46.95	331.62	6.89	-40.06
CCC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004660519	0	41	-1.0	-46.63	339.48	5.75	-40.88
CCC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004660519	1	41	-1.0	-46.61	339.54	5.77	-40.84
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CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CNC1=O	REAL250004660521	0	32	-1.0	-53.83	280.91	0.95	-52.88
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CNC1=O	REAL250004660521	1	32	-1.0	-53.89	280.97	0.96	-52.93
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CNC1=O	REAL250004660522	0	32	-1.0	-40.73	291.50	0.73	-40.00
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CCC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004660524	0	37	-1.0	-48.99	316.12	2.21	-46.78
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COC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004660528	0	32	-1.0	-39.52	289.66	2.14	-37.38
COC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004660528	1	32	-1.0	-39.55	289.59	2.14	-37.41
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CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=NN1C	REAL250004660531	0	35	-1.0	-49.01	300.45	1.71	-47.30
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=NN1C	REAL250004660531	1	35	-1.0	-49.01	300.51	1.72	-47.29
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1C	REAL250004660532	0	35	-1.0	-38.60	311.18	1.50	-37.10
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COC(=O)[C@@H](O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660533	0	32	-1.0	-49.24	285.53	-1.18	-50.42
COC(=O)[C@@H](O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660533	1	32	-1.0	-49.22	285.59	-1.16	-50.38
COC(=O)[C@@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660534	0	32	-1.0	-38.59	296.12	-1.38	-39.97
COC(=O)[C@@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660534	1	32	-1.0	-38.53	296.19	-1.38	-39.91
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL250004660535	0	42	-1.0	-47.27	342.09	6.22	-41.05
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C2CCCC2=C1	REAL250004660535	1	42	-1.0	-47.30	342.14	6.24	-41.06
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NC=N1	REAL250004660536	0	33	-1.0	-47.65	290.55	2.06	-45.59
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NC=N1	REAL250004660536	1	33	-1.0	-47.66	290.61	2.07	-45.59
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NC=N1	REAL250004660537	0	33	-1.0	-37.85	301.14	1.85	-36.00
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC=N1	REAL250004660537	1	33	-1.0	-37.78	301.21	1.85	-35.93
CC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660538	0	44	-1.0	-45.88	335.15	4.77	-41.11
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CC(O)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660539	0	40	-1.0	-53.85	318.25	0.91	-52.94
CC(O)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660539	1	40	-1.0	-53.83	318.31	0.93	-52.90
CC(CNC(=O)CCCC1=N[N-]N=N1)S(N)(=O)=O	REAL250004660540	0	33	-1.0	-54.32	290.13	-3.42	-57.74
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COCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660543	1	40	-1.0	-47.11	318.31	0.69	-46.42
CN1C=NN=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660544	0	38	-1.0	-57.42	316.89	5.26	-52.16
CN1C=NN=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660544	1	38	-1.0	-57.41	316.94	5.27	-52.14
CC(C)N(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004660545	0	38	-1.0	-47.76	308.83	5.10	-42.66
CC(C)N(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004660545	1	38	-1.0	-47.75	308.89	5.12	-42.63
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CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004660551	1	39	-1.0	-45.19	306.03	2.73	-42.46
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CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN1	REAL250004660553	0	33	-1.0	-35.79	292.81	1.99	-33.80
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CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004660558	1	36	-1.0	-50.82	293.01	0.88	-49.94
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CSCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660571	1	36	-1.0	-47.68	309.45	-0.13	-47.81
CCC(CO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660573	1	44	-1.0	-46.51	332.69	0.53	-45.98
CCC(CO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660573	1	44	-1.0	-46.50	332.75	0.55	-45.95
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004660574	0	35	-1.0	-48.91	307.41	4.46	-44.45
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004660574	1	35	-1.0	-48.93	307.47	4.47	-44.46
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CNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660576	0	41	-1.0	-46.93	330.50	1.37	-45.56
CNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660576	1	41	-1.0	-46.94	330.56	1.38	-45.56
COCC(O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660577	0	36	-1.0	-52.03	306.10	-1.99	-54.02
COCC(O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660577	1	36	-1.0	-52.02	306.16	-1.98	-54.00
COCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660578	0	36	-1.0	-38.86	316.70	-2.20	-41.06
COCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660578	1	36	-1.0	-38.87	316.76	-2.19	-41.06
CN1C=CN=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660579	0	39	-1.0	-53.41	322.97	4.71	-48.70
CN1C=CN=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660579	1	39	-1.0	-53.39	323.03	4.72	-48.67
CC(C)(C)C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660580	0	42	-1.0	-46.42	323.42	5.81	-40.61
CC(C)(C)C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660580	1	42	-1.0	-46.42	323.48	5.82	-40.60
CN(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660581	0	39	-1.0	-47.95	306.24	3.35	-44.60
CN(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660581	1	39	-1.0	-47.95	306.30	3.37	-44.58
CN(CC(O)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660582	0	36	-1.0	-46.83	297.99	2.26	-44.57
CN(CC(O)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660582	1	36	-1.0	-46.83	298.05	2.28	-44.55
CN(CC(O)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660583	0	36	-1.0	-37.62	303.42	2.34	-35.28
CN(CC(O)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660583	1	36	-1.0	-37.58	303.50	2.35	-35.23
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CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1C1CC1	REAL250004660601	1	38	-1.0	-51.19	324.05	3.83	-47.36
CC(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004660602	0	40	-1.0	-51.31	336.49	3.36	-47.95
CC(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004660602	1	40	-1.0	-51.30	336.55	3.38	-47.92
CC(C)CSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660603	0	38	-1.0	-48.03	325.68	3.94	-44.09
CC(C)CSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660603	1	38	-1.0	-48.04	325.73	3.96	-44.08
CN(CCCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004660604	0	41	-1.0	-49.46	340.17	7.15	-42.31
CN(CCCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004660604	1	41	-1.0	-49.50	340.23	7.17	-42.33
C=CCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660605	0	36	-1.0	-46.90	308.94	1.88	-45.02
C=CCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660605	1	36	-1.0	-46.90	308.99	1.90	-45.00
C=CCCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660606	0	36	-1.0	-36.65	319.53	1.68	-34.97
C=CCCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660606	1	36	-1.0	-36.62	319.60	1.69	-34.93
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1O	REAL250004660607	0	30	-1.0	-45.74	279.26	1.15	-44.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1O	REAL250004660607	1	30	-1.0	-45.78	279.32	1.16	-44.62
O=C(CCCC1=N[N-]N=N1)NNC1=NC=C(F)C=N1	REAL250004660608	0	29	-1.0	-46.96	268.45	2.77	-44.19
O=C(CCCC1=NN=N[N-]1)NNC1=NC=C(F)C=N1	REAL250004660608	1	29	-1.0	-47.00	268.51	2.79	-44.21
CCC(CC(C)CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004660609	0	41	-1.0	-49.26	323.66	0.85	-48.41
CCC(CC(C)CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660609	1	41	-1.0	-49.25	323.72	0.86	-48.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OCCO2	REAL250004660610	0	35	-1.0	-48.22	295.91	2.64	-45.58
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OCCO2	REAL250004660610	1	35	-1.0	-48.24	295.97	2.66	-45.58
CCS(=O)(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660611	0	37	-1.0	-56.64	322.37	1.00	-55.64
CCS(=O)(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660611	1	37	-1.0	-56.69	322.43	1.01	-55.68
CC(CO)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660612	0	38	-1.0	-48.11	311.92	0.00	-48.11
CC(CO)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660612	1	38	-1.0	-48.15	311.98	0.02	-48.13
CC(CO)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660613	0	38	-1.0	-37.09	322.52	-0.21	-37.30
CC(CO)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660613	1	38	-1.0	-37.08	322.59	-0.19	-37.27
O=C(CCCC1=N[N-]N=N1)N1CC=C(C(F)(F)F)CC1	REAL250004660614	0	33	-1.0	-47.86	287.19	4.53	-43.33
O=C(CCCC1=NN=N[N-]1)N1CC=C(C(F)(F)F)CC1	REAL250004660614	1	33	-1.0	-47.84	287.24	4.54	-43.30
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=CC=CC=C1	REAL250004660615	0	42	-1.0	-46.57	327.14	6.96	-39.61
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=CC=CC=C1	REAL250004660615	1	42	-1.0	-46.56	327.20	6.97	-39.59
CCOC1CC(NC(=O)CCCC2=N[N-]N=N2)C1OC	REAL250004660616	0	40	-1.0	-46.19	333.60	1.09	-45.10
CCOC1CC(NC(=O)CCCC2=NN=N[N-]2)C1OC	REAL250004660616	1	40	-1.0	-46.24	333.66	1.10	-45.14
COC(=O)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660617	0	35	-1.0	-50.15	302.97	-0.76	-50.91
COC(=O)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660617	1	35	-1.0	-50.18	303.02	-0.75	-50.93
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004660618	0	37	-1.0	-46.57	301.14	-0.57	-47.14
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004660618	1	37	-1.0	-46.54	301.19	-0.56	-47.10
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004660619	0	40	-1.0	-50.18	337.33	4.00	-46.18
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004660619	1	40	-1.0	-50.24	337.39	4.01	-46.23
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CNC(=O)C2)C1	REAL250004660620	0	40	-1.0	-54.45	315.54	1.72	-52.73
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CNC(=O)C2)C1	REAL250004660620	1	40	-1.0	-54.44	315.60	1.74	-52.70
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=C1C=CS2	REAL250004660621	0	36	-1.0	-48.35	305.08	4.28	-44.07
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=C1C=CS2	REAL250004660621	1	36	-1.0	-48.39	305.13	4.29	-44.10
CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660622	0	35	-1.0	-35.62	295.19	5.77	-29.85
CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660622	1	35	-1.0	-35.60	295.26	5.78	-29.82
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004660623	0	38	-1.0	-47.87	327.36	4.59	-43.28
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004660623	1	38	-1.0	-47.88	327.42	4.61	-43.27
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(F)F)C=C1	REAL250004660624	0	35	-1.0	-47.95	313.25	4.41	-43.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(F)F)C=C1	REAL250004660624	1	35	-1.0	-47.93	313.31	4.43	-43.50
CCC(CC#N)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660626	0	32	-1.0	-43.62	284.70	2.25	-41.37
CCC(CC#N)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660626	1	32	-1.0	-43.60	284.77	2.26	-41.34
CN1C=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660627	0	35	-1.0	-54.10	303.40	1.95	-52.15
CN1C=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660627	1	35	-1.0	-54.14	303.46	1.96	-52.18
CN1C=CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004660628	0	35	-1.0	-41.08	314.00	1.74	-39.34
CN1C=CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004660628	1	35	-1.0	-41.07	314.06	1.75	-39.32
CN(C[C@H]1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004660629	0	36	-1.0	-51.64	292.37	3.20	-48.44
CN(C[C@H]1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004660629	1	36	-1.0	-51.66	292.42	3.21	-48.45
CN(C[C@H]1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660630	0	36	-1.0	-39.29	299.72	3.60	-35.69
CN(C[C@H]1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660630	1	36	-1.0	-39.27	299.80	3.63	-35.64
COCC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660631	0	42	-1.0	-51.17	325.87	4.35	-46.82
COCC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660631	1	42	-1.0	-51.18	325.93	4.36	-46.82
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004660632	0	44	-1.0	-46.30	332.08	5.64	-40.66
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004660632	1	44	-1.0	-46.29	332.14	5.66	-40.63
CC(C)OC1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004660633	0	45	-1.0	-45.80	357.87	3.95	-41.85
CC(C)OC1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004660633	1	45	-1.0	-45.80	357.92	3.96	-41.84
CCC(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004660634	0	34	-1.0	-48.64	290.21	3.54	-45.10
CCC(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004660634	1	34	-1.0	-48.64	290.26	3.56	-45.08
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(F)C=CC=C21	REAL250004660635	0	33	-1.0	-45.56	279.93	5.38	-40.18
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(F)C=CC=C21	REAL250004660635	1	33	-1.0	-45.52	279.99	5.39	-40.13
CCC1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004660636	0	42	-1.0	-46.26	329.10	7.04	-39.22
CCC1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004660636	1	42	-1.0	-46.24	329.15	7.04	-39.20
COCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660637	0	38	-1.0	-46.12	300.90	1.35	-44.77
COCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660637	1	38	-1.0	-46.13	300.95	1.36	-44.77
COCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660638	0	38	-1.0	-36.04	311.48	1.14	-34.90
COCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660638	1	38	-1.0	-36.02	311.55	1.15	-34.87
CCN(CCC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660639	0	38	-1.0	-47.03	306.32	5.71	-41.32
CCN(CCC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660639	1	38	-1.0	-47.03	306.37	5.72	-41.31
CCN(CCC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660640	0	38	-1.0	-35.59	316.62	6.53	-29.06
CCN(CCC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660640	1	38	-1.0	-35.59	316.69	6.55	-29.04
CCOC(=O)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660642	0	38	-1.0	-49.97	324.83	0.16	-49.81
CCOC(=O)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660642	1	38	-1.0	-49.97	324.89	0.18	-49.79
O=C(NC1=CN=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660643	0	27	-1.0	-35.91	253.61	1.17	-34.74
O=C(NC1=CN=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660643	1	27	-1.0	-35.81	253.32	1.17	-34.64
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004660644	0	44	-1.0	-46.45	325.62	4.75	-41.70
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004660644	1	44	-1.0	-46.44	325.68	4.77	-41.67
O=C(CCCC1=N[N-]N=N1)NCCC1=C2NC=CC2=CC=C1	REAL250004660645	0	39	-1.0	-51.06	332.00	4.26	-46.80
O=C(CCCC1=NN=N[N-]1)NCCC1=C2NC=CC2=CC=C1	REAL250004660645	1	39	-1.0	-51.05	332.06	4.28	-46.77
O=C(NCCC1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660646	0	32	-1.0	-37.54	291.93	2.15	-35.39
O=C(NCCC1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660646	1	32	-1.0	-37.49	292.00	2.17	-35.32
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=CC=C1	REAL250004660647	0	39	-1.0	-47.60	329.07	2.00	-45.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=CC=C1	REAL250004660647	1	39	-1.0	-47.65	329.13	2.01	-45.64
CCC1(CC)CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004660648	0	42	-1.0	-45.01	321.51	6.06	-38.95
CCC1(CC)CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004660648	1	42	-1.0	-45.09	321.57	6.08	-39.01
COCCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660649	0	39	-1.0	-48.71	318.21	3.27	-45.44
COCCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660649	1	39	-1.0	-48.73	318.27	3.29	-45.44
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC=C2C1	REAL250004660650	0	36	-1.0	-47.98	302.03	4.77	-43.21
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC=C2C1	REAL250004660650	1	36	-1.0	-48.00	302.09	4.78	-43.22
COC1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004660651	0	33	-1.0	-49.28	293.15	-0.98	-50.26
COC1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004660651	1	33	-1.0	-49.28	293.21	-0.97	-50.25
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCOCC1	REAL250004660652	0	43	-1.0	-46.20	331.86	-0.33	-46.53
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCOCC1	REAL250004660652	1	43	-1.0	-46.25	331.92	-0.31	-46.56
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660653	0	39	-1.0	-46.53	307.13	1.91	-44.62
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660653	1	39	-1.0	-46.57	307.18	1.92	-44.65
CC(C)OC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660654	0	40	-1.0	-48.81	338.24	3.65	-45.16
CC(C)OC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660654	1	40	-1.0	-48.81	338.30	3.66	-45.15
O=C(CCCC1=N[N-]N=N1)NC1CCOC(C2CC2)C1	REAL250004660655	0	40	-1.0	-46.57	325.13	3.08	-43.49
O=C(CCCC1=NN=N[N-]1)NC1CCOC(C2CC2)C1	REAL250004660655	1	40	-1.0	-46.56	325.18	3.09	-43.47
CC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660656	0	39	-1.0	-47.07	300.46	1.29	-45.78
CC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660656	1	39	-1.0	-47.05	300.52	1.31	-45.74
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1C1CC1	REAL250004660657	0	43	-1.0	-48.12	339.23	3.31	-44.81
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1C1CC1	REAL250004660657	1	43	-1.0	-48.16	339.29	3.32	-44.84
O=C(CCCC1=N[N-]N=N1)NCCCC1CCCCO1	REAL250004660658	0	42	-1.0	-47.34	336.69	3.15	-44.19
O=C(CCCC1=NN=N[N-]1)NCCCC1CCCCO1	REAL250004660658	1	42	-1.0	-47.35	336.74	3.17	-44.18
CN1N=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660659	0	35	-1.0	-52.24	300.85	1.81	-50.43
CN1N=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660659	1	35	-1.0	-52.21	300.90	1.82	-50.39
CN1N=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660660	0	35	-1.0	-39.34	311.44	1.60	-37.74
CN1N=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660660	1	35	-1.0	-39.28	311.51	1.60	-37.68
CC(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004660661	0	31	-1.0	-48.88	276.36	2.92	-45.96
CC(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004660661	1	31	-1.0	-48.86	276.42	2.93	-45.93
COC(=O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004660662	0	32	-1.0	-46.53	283.95	-1.85	-48.38
COC(=O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004660662	1	32	-1.0	-46.49	284.01	-1.83	-48.32
COC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660663	0	45	-1.0	-47.32	351.73	3.56	-43.76
COC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660663	1	45	-1.0	-47.40	351.79	3.57	-43.83
O=C(NCC(F)(F)CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660664	0	29	-1.0	-38.58	273.88	-2.02	-40.60
O=C(NCC(F)(F)CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660664	1	29	-1.0	-38.54	273.94	-2.01	-40.55
CN(CC1(O)CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660665	0	36	-1.0	-46.79	288.25	1.70	-45.09
CN(CC1(O)CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660665	1	36	-1.0	-46.75	288.31	1.71	-45.04
CN(CC1(O)CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660666	0	36	-1.0	-35.36	296.45	2.05	-33.31
CN(CC1(O)CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660666	1	36	-1.0	-35.27	296.51	2.07	-33.20
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660667	0	33	-1.0	-46.87	300.40	1.08	-45.79
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004660667	1	33	-1.0	-46.90	300.45	1.10	-45.80
CC1=CSC(C(C)CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660668	0	37	-1.0	-49.09	325.20	2.62	-46.47
CC1=CSC(C(C)CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660668	1	37	-1.0	-49.14	325.26	2.64	-46.50
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004660669	0	32	-1.0	-61.15	280.25	2.00	-59.15
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004660669	1	32	-1.0	-61.18	280.31	2.02	-59.16
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1	REAL250004660670	0	32	-1.0	-48.33	290.84	1.79	-46.54
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1	REAL250004660670	1	32	-1.0	-48.31	290.91	1.81	-46.50
CNC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660671	0	33	-1.0	-53.86	286.03	0.21	-53.65
CNC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660671	1	33	-1.0	-53.87	286.09	0.23	-53.64
CNC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660672	0	33	-1.0	-40.33	293.99	0.15	-40.18
CNC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660672	1	33	-1.0	-40.34	294.06	0.16	-40.18
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004660673	0	38	-1.0	-47.89	316.17	4.83	-43.06
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004660673	1	38	-1.0	-47.94	316.23	4.84	-43.10
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004660675	0	41	-1.0	-46.86	306.81	5.29	-41.57
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004660675	1	41	-1.0	-46.88	306.87	5.30	-41.58
COC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660677	0	33	-1.0	-37.16	290.00	0.66	-36.50
COC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660677	1	33	-1.0	-37.17	290.06	0.67	-36.50
CCCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660678	0	41	-1.0	-46.22	311.39	5.61	-40.61
CCCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660678	1	41	-1.0	-46.23	311.44	5.63	-40.60
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004660679	0	34	-1.0	-50.56	304.20	2.06	-48.50
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004660679	1	34	-1.0	-50.61	304.25	2.07	-48.54
CC1=CN=C(C(C)CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660680	0	37	-1.0	-50.73	326.11	2.86	-47.87
CC1=CN=C(C(C)CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004660680	1	37	-1.0	-50.74	326.17	2.87	-47.87
CC1(C)OCC(NC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004660681	0	37	-1.0	-50.11	298.73	0.71	-49.40
CC1(C)OCC(NC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004660681	1	37	-1.0	-50.12	298.79	0.72	-49.40
O=C(CCCC1=N[N-]N=N1)NCCC1=CCCCCC1	REAL250004660682	0	42	-1.0	-46.65	332.11	5.00	-41.65
O=C(CCCC1=NN=N[N-]1)NCCC1=CCCCCC1	REAL250004660682	1	42	-1.0	-46.69	332.17	5.02	-41.67
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004660683	0	35	-1.0	-45.47	314.56	4.58	-40.89
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004660683	1	35	-1.0	-45.50	314.61	4.59	-40.91
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004660684	0	38	-1.0	-49.18	329.03	3.38	-45.80
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004660684	1	38	-1.0	-49.20	329.09	3.40	-45.80
CCN(CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660685	0	31	-1.0	-39.00	273.13	4.43	-34.57
CCN(CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660685	1	31	-1.0	-39.00	273.20	4.43	-34.57
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004660686	0	36	-1.0	-48.33	295.75	2.66	-45.67
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004660686	1	36	-1.0	-48.32	295.81	2.67	-45.65
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004660687	0	44	-1.0	-46.15	326.09	4.81	-41.34
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004660687	1	44	-1.0	-46.12	326.15	4.82	-41.30
CC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660688	0	31	-1.0	-55.13	272.90	4.27	-50.86
CC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660688	1	31	-1.0	-55.16	272.96	4.29	-50.87
CC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004660689	0	31	-1.0	-39.64	283.48	4.07	-35.57
CC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004660689	1	31	-1.0	-39.61	283.54	4.07	-35.54
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004660690	0	44	-1.0	-46.07	328.83	5.11	-40.96
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004660690	1	44	-1.0	-46.06	328.89	5.12	-40.94
CNC(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660691	0	42	-1.0	-53.66	339.09	1.33	-52.33
CNC(=O)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660691	1	42	-1.0	-53.71	339.14	1.34	-52.37
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660692	0	41	-1.0	-47.08	312.42	4.01	-43.07
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660692	1	41	-1.0	-47.08	312.49	4.03	-43.05
CC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004660693	0	36	-1.0	-51.51	301.88	2.09	-49.42
CC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004660693	1	36	-1.0	-51.50	301.93	2.11	-49.39
CC1(CCNC(=O)CCCC2=N[N-]N=N2)OCCO1	REAL250004660694	0	37	-1.0	-49.37	307.65	0.89	-48.48
CC1(CCNC(=O)CCCC2=NN=N[N-]2)OCCO1	REAL250004660694	1	37	-1.0	-49.36	307.71	0.90	-48.46
CN1C=NN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660695	0	28	-1.0	-44.83	261.16	4.85	-39.98
CN1C=NN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660695	1	28	-1.0	-44.85	261.10	4.85	-40.00
CCOC1COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004660696	0	40	-1.0	-46.63	322.74	1.16	-45.47
CCOC1COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004660696	1	40	-1.0	-46.64	322.80	1.17	-45.47
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(O)C1	REAL250004660697	0	33	-1.0	-38.66	277.72	0.53	-38.13
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(O)C1	REAL250004660697	1	33	-1.0	-38.64	277.78	0.55	-38.09
COCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660698	0	41	-1.0	-47.95	324.45	2.25	-45.70
COCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660698	1	41	-1.0	-47.94	324.51	2.26	-45.68
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL250004660699	0	34	-1.0	-46.75	298.00	2.60	-44.15
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL250004660699	1	34	-1.0	-46.74	297.94	2.58	-44.16
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CCC2)C1	REAL250004660700	0	40	-1.0	-48.40	303.45	3.82	-44.58
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CCC2)C1	REAL250004660700	1	40	-1.0	-48.41	303.51	3.83	-44.58
CON(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004660701	0	36	-1.0	-45.23	306.98	5.29	-39.94
CON(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004660701	1	36	-1.0	-45.27	307.04	5.31	-39.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CNN=N2)=C1	REAL250004660703	0	35	-1.0	-63.54	306.51	2.13	-61.41
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CNN=N2)=C1	REAL250004660703	1	35	-1.0	-63.61	306.57	2.15	-61.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NNN=C2)=C1	REAL250004660703	1	35	-1.0	-55.77	306.58	2.08	-53.69
CC1=NOC(C2CC2)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660704	0	35	-1.0	-49.16	306.97	3.70	-45.46
CC1=NOC(C2CC2)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660704	1	35	-1.0	-49.18	307.03	3.72	-45.46
CN(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660705	0	36	-1.0	-54.20	303.94	4.55	-49.65
CN(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660705	1	36	-1.0	-54.21	304.00	4.57	-49.64
CNC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660706	0	37	-1.0	-50.94	307.87	0.59	-50.35
CNC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660706	1	37	-1.0	-50.92	307.92	0.61	-50.31
CON(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004660707	0	36	-1.0	-44.10	284.49	4.07	-40.03
CON(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004660707	1	36	-1.0	-44.14	284.54	4.08	-40.06
CON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004660708	0	36	-1.0	-36.23	295.89	4.57	-31.66
CON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004660708	1	36	-1.0	-36.22	295.95	4.58	-31.64
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004660709	0	38	-1.0	-45.16	322.09	3.48	-41.68
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004660709	1	38	-1.0	-45.19	322.15	3.49	-41.70
CC(C)(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004660710	0	37	-1.0	-55.96	306.36	-0.14	-56.10
CC(C)(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004660710	1	37	-1.0	-55.98	306.41	-0.13	-56.11
CC1=CC2=C(C=C1NC(=O)CCCC1=N[N-]N=N1)OCO2	REAL250004660711	0	35	-1.0	-52.13	297.86	2.92	-49.21
CC1=CC2=C(C=C1NC(=O)CCCC1=NN=N[N-]1)OCO2	REAL250004660711	1	35	-1.0	-52.15	297.91	2.93	-49.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C=C1F	REAL250004660712	0	30	-1.0	-45.94	269.97	0.60	-45.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C=C1F	REAL250004660712	1	30	-1.0	-45.97	270.03	0.62	-45.35
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC(F)=C1	REAL250004660713	0	30	-1.0	-48.85	271.29	1.13	-47.72
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC(F)=C1	REAL250004660713	1	30	-1.0	-48.90	271.35	1.15	-47.75
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(C1)OCCO2	REAL250004660714	0	41	-1.0	-49.52	327.03	2.03	-47.49
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(C1)OCCO2	REAL250004660714	1	41	-1.0	-49.51	327.09	2.04	-47.47
CCCCCN(CCCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004660715	0	47	-1.0	-48.19	376.90	5.65	-42.54
CCCCCN(CCCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004660715	1	47	-1.0	-48.23	376.96	5.67	-42.56
O=C(CCCC1=N[N-]N=N1)NCCN1CCNC(=O)C1	REAL250004660716	0	38	-1.0	-54.63	308.62	-3.00	-57.63
O=C(CCCC1=NN=N[N-]1)NCCN1CCNC(=O)C1	REAL250004660716	1	38	-1.0	-54.62	308.68	-2.98	-57.60
COCC(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004660717	0	36	-1.0	-47.29	304.99	-0.40	-47.69
COCC(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004660717	1	36	-1.0	-47.27	305.05	-0.38	-47.65
COCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004660718	0	36	-1.0	-36.59	313.99	-0.46	-37.05
COCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004660718	1	36	-1.0	-36.58	314.06	-0.45	-37.03
O=C(NOCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660719	0	26	-1.0	-40.77	256.15	1.65	-39.12
O=C(NOCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660719	1	26	-1.0	-40.78	256.22	1.66	-39.12
O=C(CCCC1=N[N-]N=N1)NN1CC2=CC=CC=C2C1=O	REAL250004660720	0	34	-1.0	-60.10	301.75	3.32	-56.78
O=C(CCCC1=NN=N[N-]1)NN1CC2=CC=CC=C2C1=O	REAL250004660720	1	34	-1.0	-60.09	301.81	3.34	-56.75
CC1OCCC1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660721	0	36	-1.0	-45.42	285.72	1.35	-44.07
CC1OCCC1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660721	1	36	-1.0	-45.46	285.78	1.36	-44.10
CC1OCCC1(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660722	0	36	-1.0	-36.02	296.31	1.14	-34.88
CC1OCCC1(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660722	1	36	-1.0	-36.00	296.38	1.14	-34.86
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004660724	0	30	-1.0	-49.23	280.27	0.27	-48.96
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004660724	1	30	-1.0	-49.24	280.33	0.29	-48.95
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCC1	REAL250004660725	0	36	-1.0	-49.48	295.86	-0.20	-49.68
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCC1	REAL250004660725	1	36	-1.0	-49.48	295.91	-0.19	-49.67
O=C(NCC1(CO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660726	0	36	-1.0	-36.58	306.19	-0.43	-37.01
O=C(NCC1(CO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660726	1	36	-1.0	-36.54	306.26	-0.43	-36.97
N#CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660727	0	36	-1.0	-50.96	296.96	4.61	-46.35
N#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660727	1	36	-1.0	-50.96	297.02	4.62	-46.34
N#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660728	0	36	-1.0	-41.48	304.64	4.86	-36.62
N#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660728	1	36	-1.0	-41.44	304.71	4.86	-36.58
CC1=NC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004660730	0	31	-1.0	-44.74	281.16	2.75	-41.99
CC1=NC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004660730	1	31	-1.0	-44.76	281.22	2.76	-42.00
C=CCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660731	0	33	-1.0	-48.47	298.18	3.13	-45.34
C=CCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660731	1	33	-1.0	-48.48	298.24	3.14	-45.34
C=CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660732	0	33	-1.0	-35.75	308.78	2.92	-32.83
C=CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660732	1	33	-1.0	-35.73	308.84	2.93	-32.80
CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004660733	0	31	-1.0	-62.08	271.50	4.89	-57.19
CC1=NN=C(NC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004660733	1	31	-1.0	-62.08	271.56	4.90	-57.18
CC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004660734	0	35	-1.0	-55.76	305.64	1.95	-53.81
CC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004660734	1	35	-1.0	-55.75	305.58	1.93	-53.82
O=C(CCCC1=N[N-]N=N1)NC1CCCCNC1=O	REAL250004660735	0	36	-1.0	-57.07	285.79	0.77	-56.30
O=C(CCCC1=NN=N[N-]1)NC1CCCCNC1=O	REAL250004660735	1	36	-1.0	-57.12	285.85	0.79	-56.33
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CC2)C1	REAL250004660736	0	37	-1.0	-49.52	294.58	3.38	-46.14
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CC2)C1	REAL250004660736	1	37	-1.0	-49.49	294.64	3.39	-46.10
CC1=CC=CC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004660737	0	42	-1.0	-48.24	341.20	6.97	-41.27
CC1=CC=CC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004660737	1	42	-1.0	-48.19	341.25	6.99	-41.20
N#CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004660738	0	36	-1.0	-56.00	311.75	4.65	-51.35
N#CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004660738	1	36	-1.0	-56.01	311.81	4.66	-51.35
CSCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660739	0	41	-1.0	-48.36	349.90	4.80	-43.56
CSCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660739	1	41	-1.0	-48.35	349.96	4.82	-43.53
CSC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004660740	0	41	-1.0	-46.32	327.58	4.45	-41.87
CSC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004660740	1	41	-1.0	-46.34	327.63	4.46	-41.88
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC(F)=C21	REAL250004660741	0	34	-1.0	-47.74	299.25	2.74	-45.00
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC(F)=C21	REAL250004660741	1	34	-1.0	-47.72	299.31	2.76	-44.96
CN1C=NC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004660742	0	35	-1.0	-53.38	300.36	3.36	-50.02
CN1C=NC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004660742	1	35	-1.0	-53.41	300.41	3.37	-50.04
CN1C=NC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660743	0	35	-1.0	-40.51	310.95	3.15	-37.36
CN1C=NC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660743	1	35	-1.0	-40.51	311.02	3.16	-37.35
CC1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660744	0	32	-1.0	-53.26	280.75	0.90	-52.36
CC1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660744	1	32	-1.0	-53.29	280.80	0.92	-52.37
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004660745	0	32	-1.0	-41.11	291.31	0.70	-40.41
CC1=CC=C(O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004660745	1	32	-1.0	-41.10	291.38	0.70	-40.40
N#CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660746	0	29	-1.0	-40.93	272.12	1.53	-39.40
N#CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660746	1	29	-1.0	-40.87	272.19	1.55	-39.32
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004660747	0	42	-1.0	-47.49	333.70	2.79	-44.70
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004660747	1	42	-1.0	-47.51	333.75	2.80	-44.71
CC(CS(C)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004660748	0	33	-1.0	-51.70	290.74	0.52	-51.18
CC(CS(C)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004660748	1	33	-1.0	-51.69	290.80	0.53	-51.16
CC(CS(C)=O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660749	0	33	-1.0	-45.73	304.01	-0.19	-45.92
CC(CS(C)=O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660749	1	33	-1.0	-45.68	304.08	-0.18	-45.86
CC1=NN(C)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004660750	0	35	-1.0	-48.97	303.22	1.84	-47.13
CC1=NN(C)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004660750	1	35	-1.0	-49.01	303.28	1.85	-47.16
CC1=NN(C)C=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660751	0	35	-1.0	-39.23	313.81	1.63	-37.60
CC1=NN(C)C=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660751	1	35	-1.0	-39.23	313.88	1.63	-37.60
O=C(CCCC1=N[N-]N=N1)NC(CO)CC(F)F	REAL250004660752	0	32	-1.0	-47.89	282.99	-0.74	-48.63
O=C(CCCC1=NN=N[N-]1)NC(CO)CC(F)F	REAL250004660752	1	32	-1.0	-47.93	283.05	-0.72	-48.65
O=C(NC(CO)CC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660753	0	32	-1.0	-39.37	291.85	-0.69	-40.06
O=C(NC(CO)CC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660753	1	32	-1.0	-39.33	291.92	-0.67	-40.00
O=C(CCCC1=N[N-]N=N1)NCCC1CC(O)C1	REAL250004660754	0	36	-1.0	-49.45	300.24	-0.09	-49.54
O=C(CCCC1=NN=N[N-]1)NCCC1CC(O)C1	REAL250004660754	1	36	-1.0	-49.45	300.30	-0.08	-49.53
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCCC2=O)C1	REAL250004660755	0	40	-1.0	-57.77	322.03	3.62	-54.15
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCCC2=O)C1	REAL250004660755	1	40	-1.0	-57.79	322.09	3.64	-54.15
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004660756	0	36	-1.0	-48.81	307.59	1.45	-47.36
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004660756	1	36	-1.0	-48.83	307.64	1.46	-47.37
CCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660757	0	37	-1.0	-34.74	301.37	2.97	-31.77
CCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660757	1	37	-1.0	-34.67	301.44	2.98	-31.69
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C(F)(F)F	REAL250004660758	0	29	-1.0	-47.37	269.06	-1.68	-49.05
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C(F)(F)F	REAL250004660758	1	29	-1.0	-47.32	269.12	-1.66	-48.98
O=C(CCCC1=N[N-]N=N1)NCCC1CC2=CC=CC=C2C1	REAL250004660759	0	42	-1.0	-48.62	344.07	6.03	-42.59
O=C(CCCC1=NN=N[N-]1)NCCC1CC2=CC=CC=C2C1	REAL250004660759	1	42	-1.0	-48.64	344.13	6.05	-42.59
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C2=CC=CC=C21	REAL250004660760	0	40	-1.0	-46.23	320.35	7.04	-39.19
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C2=CC=CC=C21	REAL250004660760	1	40	-1.0	-46.27	320.40	7.06	-39.21
CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004660761	0	39	-1.0	-48.37	312.73	6.29	-42.08
CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004660761	1	39	-1.0	-48.37	312.79	6.30	-42.07
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCS1=O	REAL250004660762	0	37	-1.0	-57.82	303.65	2.49	-55.33
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCS1=O	REAL250004660762	1	37	-1.0	-57.82	303.70	2.50	-55.32
CC(C)=CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660763	0	35	-1.0	-35.13	303.44	3.04	-32.09
CC(C)=CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660763	1	35	-1.0	-35.11	303.51	3.04	-32.07
CC1=CC2=NNC=C2C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004660764	0	35	-1.0	-51.17	296.68	2.94	-48.23
CC1=CC2=NNC=C2C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004660764	1	35	-1.0	-51.18	296.74	2.95	-48.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NC=N2)C=N1	REAL250004660765	0	34	-1.0	-54.01	302.88	5.55	-48.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NC=N2)C=N1	REAL250004660765	1	34	-1.0	-54.00	302.82	5.53	-48.47
CC(=CC1=CC=CC=C1)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660766	0	42	-1.0	-50.55	341.01	7.25	-43.30
CC(=CC1=CC=CC=C1)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660766	1	42	-1.0	-50.52	341.07	7.27	-43.25
O=C(CCCC1=N[N-]N=N1)NNC1=NN2C=CC=CC2=N1	REAL250004660767	0	33	-1.0	-54.88	295.10	5.05	-49.83
O=C(CCCC1=NN=N[N-]1)NNC1=NN2C=CC=CC2=N1	REAL250004660767	1	33	-1.0	-54.91	295.16	5.07	-49.84
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004660768	0	36	-1.0	-48.16	294.52	4.95	-43.21
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004660768	1	36	-1.0	-48.15	294.58	4.96	-43.19
COC1=CC(F)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004660769	0	35	-1.0	-48.75	304.72	2.45	-46.30
COC1=CC(F)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004660769	1	35	-1.0	-48.75	304.77	2.46	-46.29
CCC(NC(=O)CCCC1=N[N-]N=N1)C(OC)OC	REAL250004660770	0	39	-1.0	-49.36	312.60	0.96	-48.40
CCC(NC(=O)CCCC1=NN=N[N-]1)C(OC)OC	REAL250004660770	1	39	-1.0	-49.34	312.66	0.97	-48.37
CC1CCSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660771	0	36	-1.0	-48.98	285.83	4.89	-44.09
CC1CCSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660771	1	36	-1.0	-48.99	285.89	4.90	-44.09
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004660772	0	35	-1.0	-56.74	304.19	0.97	-55.77
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004660772	1	35	-1.0	-56.75	304.24	0.99	-55.76
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC(O)=C2C1	REAL250004660773	0	37	-1.0	-47.55	313.38	1.92	-45.63
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC(O)=C2C1	REAL250004660773	1	37	-1.0	-47.58	313.44	1.93	-45.65
CCN1C=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660774	0	39	-1.0	-48.70	326.34	6.18	-42.52
CCN1C=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660774	1	39	-1.0	-48.71	326.40	6.19	-42.52
CC(C)=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660775	0	32	-1.0	-34.99	281.94	2.24	-32.75
CC(C)=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660775	1	32	-1.0	-34.96	282.01	2.25	-32.71
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2CCC2)C=C1	REAL250004660777	0	42	-1.0	-45.75	344.84	6.07	-39.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2CCC2)C=C1	REAL250004660777	1	42	-1.0	-45.78	344.90	6.08	-39.70
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1=O	REAL250004660778	0	37	-1.0	-52.21	308.12	2.15	-50.06
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1=O	REAL250004660778	1	37	-1.0	-52.23	308.18	2.17	-50.06
CC1=CC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004660779	0	33	-1.0	-47.27	285.07	3.00	-44.27
CC1=CC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004660779	1	33	-1.0	-47.32	285.13	3.01	-44.31
CN(CC1=C2C=CNC2=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004660780	0	39	-1.0	-51.51	321.65	5.37	-46.14
CN(CC1=C2C=CNC2=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004660780	1	39	-1.0	-51.58	321.71	5.38	-46.20
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004660781	0	35	-1.0	-35.23	297.18	3.05	-32.18
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004660781	1	35	-1.0	-35.15	297.25	3.06	-32.09
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)N=CNC2=O	REAL250004660782	0	35	-1.0	-56.19	294.11	2.55	-53.64
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)N=CNC2=O	REAL250004660782	1	35	-1.0	-56.16	294.16	2.57	-53.59
CNC(=O)C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660783	0	33	-1.0	-51.16	289.21	-3.28	-54.44
CNC(=O)C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660783	1	33	-1.0	-51.13	289.26	-3.26	-54.39
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCS(=O)C1	REAL250004660784	0	37	-1.0	-54.82	301.14	2.36	-52.46
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCS(=O)C1	REAL250004660784	1	37	-1.0	-54.81	301.19	2.38	-52.43
CC(C)OCC(CO)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660785	0	42	-1.0	-45.64	331.77	2.41	-43.23
CC(C)OCC(CO)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660785	1	42	-1.0	-45.63	331.83	2.42	-43.21
O=C(NC1CC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660786	0	29	-1.0	-35.53	269.89	1.87	-33.66
O=C(NC1CC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660786	1	29	-1.0	-35.52	269.96	1.87	-33.65
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004660787	0	35	-1.0	-35.22	298.43	3.14	-32.08
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004660787	1	35	-1.0	-35.20	298.50	3.15	-32.05
CCOC(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004660788	0	37	-1.0	-53.14	315.85	3.28	-49.86
CCOC(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004660788	1	37	-1.0	-53.14	315.91	3.29	-49.85
CN(CC1(C2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660789	0	42	-1.0	-48.79	345.09	7.51	-41.28
CN(CC1(C2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660789	1	42	-1.0	-48.78	345.15	7.53	-41.25
CNC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660790	0	38	-1.0	-53.89	306.35	1.42	-52.47
CNC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660790	1	38	-1.0	-53.89	306.41	1.44	-52.45
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004660791	0	38	-1.0	-46.79	326.97	4.81	-41.98
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004660791	1	38	-1.0	-46.84	327.02	4.83	-42.01
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C(F)F)=C1	REAL250004660792	0	35	-1.0	-49.42	313.25	4.41	-45.01
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C(F)F)=C1	REAL250004660792	1	35	-1.0	-49.42	313.31	4.43	-44.99
COCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660793	0	40	-1.0	-49.61	331.99	2.10	-47.51
COCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660793	1	40	-1.0	-49.62	332.04	2.11	-47.51
CN(CC1(O)CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004660794	0	40	-1.0	-47.33	308.04	0.57	-46.76
CN(CC1(O)CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004660794	1	40	-1.0	-47.38	308.10	0.58	-46.80
O=C(CCCC1=N[N-]N=N1)N1CCCC(OCCO)C1	REAL250004660795	0	40	-1.0	-50.04	322.56	0.46	-49.58
O=C(CCCC1=NN=N[N-]1)N1CCCC(OCCO)C1	REAL250004660795	1	40	-1.0	-50.04	322.62	0.47	-49.57
CC(=O)NCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660796	0	34	-1.0	-58.21	298.08	-0.93	-59.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC=C1	REAL250004660797	0	30	-1.0	-43.62	268.15	1.28	-42.34
O=C(CC1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660798	0	37	-1.0	-47.29	300.78	3.35	-43.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1	REAL250004660799	0	31	-1.0	-45.14	279.10	3.12	-42.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CS1	REAL250004660800	0	28	-1.0	-42.39	265.11	2.05	-40.34
CC1=CN=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004660801	0	32	-1.0	-43.15	286.60	0.09	-43.06
CC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660802	0	36	-1.0	-46.13	290.76	2.62	-43.51
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004660803	0	31	-1.0	-45.40	278.84	1.89	-43.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC=C1	REAL250004660804	0	28	-1.0	-46.24	256.08	1.04	-45.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1C2	REAL250004660805	0	38	-1.0	-46.63	303.37	3.59	-43.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COCCO1	REAL250004660806	0	31	-1.0	-47.23	271.12	0.62	-46.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC(=O)C=C1	REAL250004660807	0	31	-1.0	-46.92	277.59	-0.01	-46.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=[N+]([O-])C=C1	REAL250004660808	0	31	-1.0	-53.32	280.40	1.67	-51.65
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1C	REAL250004660809	0	35	-1.0	-45.15	295.57	3.17	-41.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CCC1	REAL250004660810	0	35	-1.0	-42.46	291.06	3.20	-39.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOCC1	REAL250004660811	0	35	-1.0	-48.23	290.20	0.88	-47.35
O=C(CC1C=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660812	0	35	-1.0	-47.70	292.94	3.26	-44.44
CC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660813	0	30	-1.0	-40.71	273.34	1.09	-39.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C[N+]([O-])=C1	REAL250004660814	0	31	-1.0	-60.37	280.24	1.65	-58.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC=N1	REAL250004660815	0	29	-1.0	-43.46	264.68	-0.51	-43.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004660816	0	31	-1.0	-46.74	264.31	2.03	-44.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL250004660817	0	34	-1.0	-46.63	280.49	2.62	-44.01
CC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660818	0	34	-1.0	-43.13	289.00	3.73	-39.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=C1	REAL250004660819	0	28	-1.0	-43.75	264.31	1.97	-41.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=N1	REAL250004660820	0	30	-1.0	-43.48	269.89	1.34	-42.14
CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660821	0	31	-1.0	-50.64	272.14	0.99	-49.65
CC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660822	0	31	-1.0	-47.01	275.94	-1.56	-48.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CNC1=O	REAL250004660823	0	31	-1.0	-54.59	275.11	0.30	-54.29
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL250004660824	0	30	-1.0	-41.98	273.60	1.13	-40.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C=CC1C2	REAL250004660825	0	36	-1.0	-44.18	294.16	3.49	-40.69
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL250004660826	0	34	-1.0	-46.05	296.57	2.66	-43.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCO1	REAL250004660827	0	32	-1.0	-50.72	273.59	1.23	-49.49
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CO1	REAL250004660828	0	31	-1.0	-46.42	274.38	1.84	-44.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN1	REAL250004660829	0	29	-1.0	-45.30	260.09	0.84	-44.46
CC1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660830	0	31	-1.0	-46.59	269.49	2.19	-44.40
CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660831	0	34	-1.0	-43.94	294.09	3.72	-40.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(=O)C=C1	REAL250004660832	0	30	-1.0	-42.86	274.83	-1.45	-44.31
CN1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660833	0	32	-1.0	-46.80	278.32	2.51	-44.29
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004660834	0	31	-1.0	-45.46	277.74	0.81	-44.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1	REAL250004660835	0	31	-1.0	-42.83	279.36	3.11	-39.72
CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660836	0	33	-1.0	-47.24	280.57	2.29	-44.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1O	REAL250004660837	0	32	-1.0	-45.87	281.82	1.49	-44.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1	REAL250004660838	0	30	-1.0	-43.54	267.67	1.29	-42.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL250004660839	0	28	-1.0	-42.76	256.91	1.07	-41.69
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL250004660840	0	31	-1.0	-45.81	275.09	1.74	-44.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1F	REAL250004660841	0	31	-1.0	-47.95	277.52	3.12	-44.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL250004660842	0	31	-1.0	-43.81	272.97	3.04	-40.77
CC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660843	0	33	-1.0	-46.80	275.80	2.10	-44.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL250004660844	0	37	-1.0	-46.35	298.54	3.29	-43.06
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL250004660845	0	34	-1.0	-43.65	294.36	3.71	-39.94
CC(=O)NC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660846	0	34	-1.0	-47.21	295.58	-0.74	-47.95
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C	REAL250004660847	0	34	-1.0	-48.11	293.58	1.29	-46.82
O=C(CCN1C=CC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660848	0	34	-1.0	-44.44	299.98	1.70	-42.74
O=C(CCC1=CC=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660849	0	34	-1.0	-44.45	299.74	2.65	-41.80
NC1=NC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660850	0	31	-1.0	-42.90	275.11	-1.41	-44.31
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004660851	0	34	-1.0	-44.90	300.33	2.67	-42.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CS1	REAL250004660852	0	27	-1.0	-43.28	260.12	0.21	-43.07
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004660853	0	33	-1.0	-43.42	289.27	1.90	-41.52
CCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660854	0	33	-1.0	-46.62	275.50	2.05	-44.57
CSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660855	0	28	-1.0	-49.62	260.63	1.18	-48.44
CC(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660856	0	36	-1.0	-47.07	298.14	2.80	-44.27
CC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660857	0	33	-1.0	-46.44	276.05	1.97	-44.47
CCC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660858	0	36	-1.0	-46.18	291.46	3.04	-43.14
CCCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660859	0	36	-1.0	-46.81	297.00	2.80	-44.01
CC(=O)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660860	0	35	-1.0	-57.38	303.77	2.21	-55.17
CSCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660861	0	31	-1.0	-45.79	282.30	1.98	-43.81
CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660862	0	36	-1.0	-47.16	302.07	3.07	-44.09
CCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660863	0	39	-1.0	-47.15	323.57	3.85	-43.30
CC(C)SCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660864	0	34	-1.0	-49.25	300.38	2.70	-46.55
CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004660865	0	33	-1.0	-43.24	291.50	1.94	-41.30
CCC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660866	0	34	-1.0	-46.75	296.54	-0.75	-47.50
O=C(CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660867	0	31	-1.0	-47.52	268.51	2.29	-45.23
CC(C)OCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660868	0	37	-1.0	-46.12	313.38	1.53	-44.59
CCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL250004660869	0	34	-1.0	-43.71	298.92	0.82	-42.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COCCO1	REAL250004660870	0	33	-1.0	-45.49	282.42	0.03	-45.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=C1	REAL250004660871	0	28	-1.0	-45.13	255.50	-0.47	-45.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=[N+]1[O-]	REAL250004660872	0	31	-1.0	-76.77	277.02	3.12	-73.65
CCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660873	0	37	-1.0	-50.19	314.60	1.55	-48.64
O=C(COCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660874	0	35	-1.0	-51.03	303.82	2.57	-48.46
O=C(CC1CCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660875	0	35	-1.0	-47.45	293.67	1.71	-45.74
CSC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660876	0	31	-1.0	-49.04	279.19	1.75	-47.29
CCOC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660877	0	34	-1.0	-50.04	290.92	1.72	-48.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=C1	REAL250004660878	0	29	-1.0	-48.77	259.94	0.93	-47.84
CC(C)(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660879	0	31	-1.0	-53.68	275.44	1.53	-52.15
COCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660880	0	34	-1.0	-50.19	292.75	0.58	-49.61
CC(F)(F)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660881	0	33	-1.0	-45.29	291.69	2.42	-42.87
CC1=NC=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660883	0	32	-1.0	-45.67	278.97	1.74	-43.93
C=CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660884	0	32	-1.0	-49.62	294.91	2.64	-46.98
CC1=NC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004660885	0	32	-1.0	-41.54	287.05	1.09	-40.45
CCSCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660886	0	34	-1.0	-45.75	303.78	2.87	-42.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NSN=C1	REAL250004660887	0	26	-1.0	-40.27	253.64	-0.98	-41.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=NS1	REAL250004660888	0	26	-1.0	-45.20	254.99	-0.34	-45.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNN=C1	REAL250004660889	0	27	-1.0	-41.42	250.49	-1.92	-43.34
CCCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660890	0	34	-1.0	-49.30	303.60	2.87	-46.43
CCN(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660891	1	38	-1.0	-47.95	309.12	0.84	-47.11
COC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660892	0	32	-1.0	-47.61	287.07	-2.15	-49.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC=C1	REAL250004660893	0	27	-1.0	-43.20	251.66	0.30	-42.90
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL250004660894	0	31	-1.0	-44.29	277.71	0.08	-44.21
COC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660895	0	31	-1.0	-50.12	270.46	0.73	-49.39
CC1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660896	0	34	-1.0	-43.45	293.42	1.60	-41.85
CC1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL250004660897	0	34	-1.0	-56.45	299.68	1.84	-54.61
COC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660898	0	31	-1.0	-50.12	270.46	0.73	-49.39
CC(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660899	0	34	-1.0	-50.54	292.42	1.72	-48.82
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004660900	0	37	-1.0	-46.48	305.46	3.56	-42.92
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CO1	REAL250004660901	0	30	-1.0	-45.23	269.69	-1.52	-46.75
C=CCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660902	0	35	-1.0	-50.38	306.46	2.36	-48.02
CC(C)N(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660903	1	38	-1.0	-47.20	305.50	0.44	-46.76
CN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660904	0	31	-1.0	-46.36	273.18	0.80	-45.56
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CN=C1	REAL250004660905	0	34	-1.0	-53.70	295.98	2.88	-50.82
CCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660906	0	34	-1.0	-50.41	293.65	1.79	-48.62
COCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660907	0	37	-1.0	-47.74	314.25	1.36	-46.38
NC(=O)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660908	0	34	-1.0	-59.67	296.76	-1.64	-61.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL250004660909	0	32	-1.0	-48.42	271.35	0.07	-48.35
CCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660910	0	34	-1.0	-48.54	290.83	1.59	-46.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=N1	REAL250004660911	0	28	-1.0	-46.02	255.61	0.59	-45.43
CN1C=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004660912	0	34	-1.0	-52.91	300.40	1.52	-51.39
CCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660913	0	36	-1.0	-46.70	290.27	2.47	-44.23
COC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660914	0	34	-1.0	-48.20	290.39	1.27	-46.93
CCCC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660915	0	39	-1.0	-46.81	315.53	3.52	-43.29
C=CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660916	0	31	-1.0	-46.99	271.88	2.07	-44.92
CCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660917	0	34	-1.0	-46.14	293.10	0.78	-45.36
COCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660918	0	31	-1.0	-46.20	271.24	-0.18	-46.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCOC1	REAL250004660919	0	35	-1.0	-42.54	289.74	0.92	-41.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=N1	REAL250004660920	0	27	-1.0	-43.37	260.21	0.04	-43.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(O)=C1	REAL250004660921	0	31	-1.0	-48.16	278.99	-1.60	-49.76
CN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004660922	0	31	-1.0	-45.83	278.59	0.86	-44.97
NC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004660923	0	32	-1.0	-49.30	281.28	-1.56	-50.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC=N1	REAL250004660924	0	27	-1.0	-43.50	251.70	-2.34	-45.84
CC(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660926	0	28	-1.0	-54.84	256.33	1.02	-53.82
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004660927	0	31	-1.0	-47.84	277.61	0.44	-47.40
O=C(CC1=CCCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660928	0	38	-1.0	-47.34	313.47	3.95	-43.39
CCCN(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660929	1	38	-1.0	-47.57	310.55	0.62	-46.95
COCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660930	0	34	-1.0	-45.49	290.21	0.52	-44.97
C=CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660931	0	32	-1.0	-51.04	285.05	1.57	-49.47
CC1=NN(C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660932	0	34	-1.0	-51.99	295.83	1.42	-50.57
CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004660933	0	34	-1.0	-48.38	299.55	1.68	-46.70
CCCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660934	0	37	-1.0	-50.49	315.15	2.57	-47.92
CC1=NC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660935	0	33	-1.0	-44.40	284.13	1.94	-42.46
CSCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660936	0	34	-1.0	-45.17	299.97	2.55	-42.62
CC1=CC=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660937	0	33	-1.0	-42.97	284.38	1.96	-41.01
O=C(CCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660938	0	34	-1.0	-47.24	290.69	3.08	-44.16
CC1=NNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660939	0	31	-1.0	-51.37	272.90	0.10	-51.27
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1	REAL250004660939	1	31	-1.0	-44.06	272.82	0.08	-43.98
CC(C)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660940	0	36	-1.0	-46.23	291.40	2.62	-43.61
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(C)C	REAL250004660941	0	39	-1.0	-45.78	302.82	2.98	-42.80
O=C(CC1=CC=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660942	0	33	-1.0	-51.16	292.42	1.94	-49.22
COC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660943	0	34	-1.0	-50.37	282.06	1.20	-49.17
CC(C)(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660944	0	39	-1.0	-46.88	314.31	3.20	-43.68
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004660945	0	32	-1.0	-45.63	283.32	2.18	-43.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CC1	REAL250004660946	0	32	-1.0	-42.78	272.84	2.53	-40.25
O=C(CC1CCOC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660947	0	35	-1.0	-48.54	291.79	0.79	-47.75
O=C(CC1=NNC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660948	0	31	-1.0	-54.69	276.66	0.17	-54.52
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL250004660949	0	34	-1.0	-47.07	297.38	2.85	-44.22
O=C(CC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660950	0	34	-1.0	-47.51	285.48	2.80	-44.71
CCC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660951	0	39	-1.0	-46.07	304.98	3.11	-42.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCS1	REAL250004660952	0	32	-1.0	-47.40	281.73	2.39	-45.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCCO1	REAL250004660953	0	33	-1.0	-41.68	281.96	1.44	-40.24
CN(C)C(=O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660954	0	34	-1.0	-60.89	291.84	1.62	-59.27
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004660955	0	34	-1.0	-46.74	290.67	2.74	-44.00
CC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004660956	0	34	-1.0	-45.20	296.71	2.57	-42.63
O=C(CCC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660957	0	37	-1.0	-47.08	307.31	3.59	-43.49
O=C(CCN1C=CC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660958	0	35	-1.0	-46.34	304.79	3.59	-42.75
CC1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660959	0	33	-1.0	-46.69	289.40	1.91	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCCC21	REAL250004660960	0	35	-1.0	-46.85	285.82	3.45	-43.40
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=N1	REAL250004660961	0	30	-1.0	-45.88	269.96	-1.63	-47.51
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004660962	0	34	-1.0	-46.53	287.35	2.89	-43.64
N#CC1=CNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660963	0	30	-1.0	-49.52	280.89	1.32	-48.20
O=C(CCC1=COC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660964	0	34	-1.0	-44.65	299.45	2.50	-42.15
CC1=CC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660965	0	33	-1.0	-45.67	285.80	2.02	-43.65
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004660966	0	37	-1.0	-43.07	301.57	3.02	-40.05
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004660967	0	34	-1.0	-42.86	281.08	2.54	-40.32
C=CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660968	0	34	-1.0	-47.63	293.38	2.85	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCCC2	REAL250004660969	0	38	-1.0	-46.71	310.34	4.04	-42.67
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004660970	1	38	-1.0	-47.14	300.70	0.57	-46.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)(F)C1	REAL250004660971	0	31	-1.0	-43.50	277.29	2.21	-41.29
CCCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004660972	0	37	-1.0	-47.00	311.84	3.53	-43.47
CC1CC(C#N)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004660973	0	35	-1.0	-41.77	303.81	2.81	-38.96
CN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660974	0	32	-1.0	-45.61	283.01	2.64	-42.97
COCC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660975	0	37	-1.0	-49.64	308.74	1.21	-48.43
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL250004660976	0	35	-1.0	-44.35	291.54	0.97	-43.38
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)COC1	REAL250004660977	0	35	-1.0	-45.20	289.53	0.79	-44.41
O=C(CC1=CC=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660978	0	33	-1.0	-51.16	292.42	1.94	-49.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NC=C1	REAL250004660979	0	31	-1.0	-58.77	277.95	-0.02	-58.79
CCC1(C)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660980	0	37	-1.0	-46.08	301.77	3.38	-42.70
O=C(C=C1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660981	0	35	-1.0	-46.90	292.73	3.37	-43.53
CCCC(C)=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660982	0	37	-1.0	-45.51	310.05	3.60	-41.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC2	REAL250004660983	0	35	-1.0	-43.07	295.40	3.45	-39.62
CCC(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660984	0	39	-1.0	-46.98	311.71	3.36	-43.62
CC(C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004660985	0	37	-1.0	-47.05	309.25	3.29	-43.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL250004660986	0	32	-1.0	-42.90	279.99	2.35	-40.55
O=C(CC1=CC=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660987	0	31	-1.0	-51.27	278.33	1.86	-49.41
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004660988	0	34	-1.0	-46.79	285.32	2.68	-44.11
CC1CCC(=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004660989	0	38	-1.0	-46.37	312.88	3.98	-42.39
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004660990	0	31	-1.0	-46.43	265.74	2.14	-44.29
CC1=C(C)OC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004660991	0	34	-1.0	-42.39	298.44	2.50	-39.89
C=CCC(CC=C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660992	0	38	-1.0	-46.04	319.29	4.13	-41.91
CC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004660993	0	35	-1.0	-44.13	299.69	2.09	-42.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C1CC1)C1CC1	REAL250004660994	0	38	-1.0	-45.76	319.11	4.38	-41.38
CC1(C)C[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660995	0	34	-1.0	-46.12	284.42	2.75	-43.37
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL250004660996	0	33	-1.0	-42.95	291.34	1.97	-40.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CO1	REAL250004660997	0	27	-1.0	-43.23	251.69	-2.23	-45.46
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004660998	0	30	-1.0	-46.61	281.39	1.14	-45.47
CC1=NN=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660999	0	32	-1.0	-45.38	279.28	0.86	-44.52
COCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661000	0	37	-1.0	-45.39	307.65	1.17	-44.22
CSC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661001	0	34	-1.0	-48.60	298.13	2.54	-46.06
CCC(SC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661002	0	34	-1.0	-47.97	298.24	2.40	-45.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=N1	REAL250004661003	0	27	-1.0	-47.93	250.58	0.21	-47.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCO1	REAL250004661004	0	35	-1.0	-45.72	290.94	2.03	-43.69
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC=C1	REAL250004661005	0	35	-1.0	-46.28	301.15	3.48	-42.80
CCC(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661006	0	37	-1.0	-50.48	313.19	2.53	-47.95
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC=N1	REAL250004661007	0	32	-1.0	-41.23	286.62	1.76	-39.47
CN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004661008	0	31	-1.0	-46.15	278.29	2.29	-43.86
CC1(C)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661009	0	34	-1.0	-46.08	284.70	2.74	-43.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(CC1)C2	REAL250004661010	0	38	-1.0	-46.40	306.10	3.54	-42.86
CC1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661011	0	37	-1.0	-46.88	300.51	3.25	-43.63
CC1OCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661012	0	35	-1.0	-49.47	288.00	0.70	-48.77
CC(C)(C)OCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661013	0	37	-1.0	-50.20	306.46	2.11	-48.09
N#CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004661014	0	30	-1.0	-54.83	281.10	1.18	-53.65
C#CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661015	0	35	-1.0	-47.93	307.85	3.59	-44.34
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661016	0	35	-1.0	-49.48	303.45	1.07	-48.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCO1	REAL250004661017	0	29	-1.0	-51.99	255.77	0.30	-51.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCCO1	REAL250004661018	0	32	-1.0	-46.67	273.52	1.20	-45.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CCCO1	REAL250004661019	0	32	-1.0	-50.98	273.61	1.23	-49.75
C#CCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661020	0	33	-1.0	-47.41	298.89	1.33	-46.08
CC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661021	0	37	-1.0	-46.52	302.21	3.26	-43.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)F	REAL250004661022	0	24	-1.0	-47.92	229.90	0.22	-47.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CN=C1	REAL250004661023	0	29	-1.0	-43.20	262.62	1.10	-42.10
CCC(C)(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661024	0	39	-1.0	-47.05	305.93	2.95	-44.10
CC#CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661025	0	35	-1.0	-51.13	308.18	3.77	-47.36
C#CCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661026	0	35	-1.0	-46.00	299.51	3.05	-42.95
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL250004661027	0	35	-1.0	-44.70	289.39	0.62	-44.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C=CCCC1	REAL250004661028	0	35	-1.0	-45.88	290.23	3.21	-42.67
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004661029	0	35	-1.0	-40.40	289.88	1.21	-39.19
C#CCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661030	0	38	-1.0	-49.70	329.35	4.37	-45.33
COC(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661031	0	37	-1.0	-47.84	312.29	1.36	-46.48
CCC(C)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661032	0	39	-1.0	-46.36	309.57	3.25	-43.11
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004661033	0	38	-1.0	-46.22	310.23	3.89	-42.33
C#CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661034	0	32	-1.0	-50.34	286.35	2.81	-47.53
CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661035	0	34	-1.0	-43.51	287.26	2.74	-40.77
CCC(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661036	0	36	-1.0	-46.89	294.03	2.76	-44.13
C=CC(C)(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661037	0	37	-1.0	-47.00	301.07	2.88	-44.12
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661038	0	31	-1.0	-42.94	269.47	2.19	-40.75
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL250004661039	0	31	-1.0	-45.88	277.99	1.87	-44.01
O=C(C=CC1=CC=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661040	0	33	-1.0	-45.49	292.58	2.16	-43.33
CC1=NNN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661041	0	30	-1.0	-43.47	269.10	-1.32	-44.79
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)O	REAL250004661042	0	37	-1.0	-49.78	301.46	1.00	-48.78
CC(C)C(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661043	0	39	-1.0	-46.39	302.53	2.92	-43.47
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL250004661044	0	35	-1.0	-46.29	292.35	0.82	-45.47
CC(C)C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661045	0	33	-1.0	-45.88	279.89	2.15	-43.73
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL250004661046	0	30	-1.0	-42.55	273.68	-1.59	-44.14
CCN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661047	0	34	-1.0	-45.99	294.65	1.66	-44.33
O=C(CC1=COC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661048	0	31	-1.0	-46.33	278.05	1.70	-44.63
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)C=C1	REAL250004661049	0	35	-1.0	-43.72	305.10	3.03	-40.69
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL250004661050	0	37	-1.0	-48.56	304.86	2.59	-45.97
CN1C=NC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661051	0	34	-1.0	-54.53	297.36	2.81	-51.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CCCC1	REAL250004661052	0	34	-1.0	-44.52	286.60	2.65	-41.87
C[C@H]1C[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661053	0	31	-1.0	-46.59	269.48	2.19	-44.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC=N1	REAL250004661054	0	29	-1.0	-41.51	264.94	1.15	-40.36
O=C(CC1C=CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661055	0	38	-1.0	-44.37	309.45	3.90	-40.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(F)C1	REAL250004661056	0	34	-1.0	-46.72	288.22	2.72	-44.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CCC1	REAL250004661057	0	31	-1.0	-43.27	270.49	2.07	-41.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H]1C(F)F	REAL250004661058	0	31	-1.0	-51.38	282.60	2.46	-48.92
CCCCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661059	0	39	-1.0	-46.70	318.49	3.59	-43.11
CN1N=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661060	0	30	-1.0	-46.44	267.54	-0.57	-47.01
COC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661061	0	37	-1.0	-49.30	299.83	1.91	-47.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CS1	REAL250004661062	0	27	-1.0	-41.57	260.80	0.18	-41.39
CCC(C)(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661063	0	37	-1.0	-43.47	299.69	1.12	-42.35
C=CC(C)(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661064	0	35	-1.0	-49.82	294.44	0.47	-49.35
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC=C1	REAL250004661065	0	32	-1.0	-48.83	277.80	1.54	-47.29
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CO1	REAL250004661066	0	34	-1.0	-43.04	295.85	2.62	-40.42
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=N1	REAL250004661067	0	33	-1.0	-43.60	289.48	1.90	-41.70
O=C(CCC1=NC=CN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661068	0	34	-1.0	-46.04	298.10	1.22	-44.82
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CN1C	REAL250004661069	0	35	-1.0	-48.87	297.95	3.13	-45.74
CC(C)(C(N)=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661070	0	34	-1.0	-59.51	287.63	-0.56	-60.07
CC(C)(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661071	0	34	-1.0	-49.18	284.66	-0.09	-49.27
O=C(CCC(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661072	0	30	-1.0	-49.84	271.73	1.78	-48.06
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004661073	0	35	-1.0	-48.79	302.51	2.29	-46.50
CN1C=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661074	0	31	-1.0	-47.81	272.59	2.20	-45.61
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)F	REAL250004661075	0	33	-1.0	-47.30	285.67	2.15	-45.15
C#CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661076	0	29	-1.0	-46.73	264.85	2.03	-44.70
O=C(C[C@H]1CCOC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661077	0	35	-1.0	-50.04	291.69	0.80	-49.24
CSC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661078	0	32	-1.0	-43.96	287.92	2.63	-41.33
CCC(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661079	0	39	-1.0	-47.07	316.37	3.45	-43.62
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CN1	REAL250004661080	0	35	-1.0	-45.12	299.55	2.23	-42.89
CC1(C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661081	0	37	-1.0	-46.51	304.59	3.13	-43.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCCCC1	REAL250004661082	0	38	-1.0	-46.34	303.59	3.85	-42.49
CC1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL250004661083	0	34	-1.0	-45.57	296.18	2.42	-43.15
CCC(C)(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661084	0	34	-1.0	-44.41	292.31	2.01	-42.40
O=C(COC(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661085	0	28	-1.0	-48.84	261.89	0.39	-48.45
CCC=C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661086	0	34	-1.0	-42.86	286.23	2.82	-40.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCCC1	REAL250004661087	0	35	-1.0	-42.57	289.05	3.27	-39.30
CC=C(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661088	0	34	-1.0	-42.79	286.85	2.75	-40.04
CN1N=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004661089	0	30	-1.0	-42.69	273.26	-0.79	-43.48
CON=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661090	0	28	-1.0	-44.87	260.01	-0.68	-45.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC(=O)N1	REAL250004661091	0	30	-1.0	-57.65	270.02	-2.68	-60.33
CC1=COC(C)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661092	0	34	-1.0	-43.31	301.20	2.46	-40.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CN1	REAL250004661093	0	28	-1.0	-43.13	255.77	-0.21	-43.34
O=C(CC1CCC2CC21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661094	0	38	-1.0	-43.05	308.91	4.05	-39.00
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661095	0	34	-1.0	-42.97	290.60	2.96	-40.01
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CCC1	REAL250004661096	0	38	-1.0	-47.61	306.35	3.57	-44.04
CN(C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661097	0	36	-1.0	-44.53	293.90	0.47	-44.06
CC1=CNN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661098	0	31	-1.0	-47.91	274.26	0.21	-47.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NN=C1	REAL250004661099	0	30	-1.0	-46.90	272.62	-1.40	-48.30
CC(C)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661100	0	39	-1.0	-47.16	319.64	3.58	-43.58
CC1=CN=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661101	0	33	-1.0	-46.29	284.15	1.97	-44.32
COCC#CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661102	0	30	-1.0	-44.09	278.33	0.44	-43.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NSC=C1	REAL250004661103	0	27	-1.0	-42.37	259.45	0.53	-41.84
C#CCOC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661104	0	33	-1.0	-52.93	296.70	2.26	-50.67
C=CC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661105	0	34	-1.0	-46.73	284.81	2.36	-44.37
O=C(CSC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661106	0	32	-1.0	-49.14	292.69	2.90	-46.24
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)N1	REAL250004661107	0	34	-1.0	-44.90	295.57	1.02	-43.88
CC1=NC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004661107	1	34	-1.0	-48.72	294.90	1.04	-47.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H]1C1CC1	REAL250004661108	0	35	-1.0	-47.02	301.80	3.76	-43.26
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL250004661109	0	34	-1.0	-52.01	299.44	1.75	-50.26
CCC1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661110	0	34	-1.0	-46.38	285.40	2.97	-43.41
N#CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661111	0	31	-1.0	-56.84	279.92	2.03	-54.81
C=CCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661112	0	37	-1.0	-46.48	305.20	3.08	-43.40
N#CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661113	0	32	-1.0	-55.52	285.29	2.38	-53.14
CCCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661114	0	37	-1.0	-48.42	312.33	2.37	-46.05
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661115	0	37	-1.0	-42.89	312.11	3.74	-39.15
O=C(CCCC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661116	0	37	-1.0	-43.86	312.19	3.86	-40.00
CC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661117	0	33	-1.0	-44.06	294.20	1.88	-42.18
CC1CC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661118	0	34	-1.0	-43.55	287.57	2.93	-40.62
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL250004661119	0	30	-1.0	-44.62	273.76	-0.62	-45.24
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004661120	0	37	-1.0	-47.22	299.22	3.20	-44.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CCOC1	REAL250004661121	0	32	-1.0	-44.04	277.72	0.05	-43.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CCF)CC1	REAL250004661122	0	34	-1.0	-46.78	296.92	2.89	-43.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCNC1=O	REAL250004661123	0	32	-1.0	-44.20	278.19	-1.67	-45.87
CC1CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661124	0	38	-1.0	-46.05	309.87	3.88	-42.17
O=C(CCC1=CNN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661125	0	34	-1.0	-46.46	298.56	1.02	-45.44
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004661126	0	37	-1.0	-46.79	303.69	3.40	-43.39
CCOC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661127	0	37	-1.0	-49.81	309.83	2.42	-47.39
CC1=CN(C)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661128	0	34	-1.0	-45.59	296.75	1.55	-44.04
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)N=C1	REAL250004661129	0	34	-1.0	-45.54	300.01	1.38	-44.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004661130	0	30	-1.0	-44.70	276.78	1.88	-42.82
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL250004661131	0	32	-1.0	-43.55	286.60	0.81	-42.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CC2C1	REAL250004661132	0	38	-1.0	-46.40	306.31	3.94	-42.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC2	REAL250004661133	0	32	-1.0	-43.35	280.54	2.98	-40.37
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1(F)F	REAL250004661134	0	31	-1.0	-49.75	276.89	2.32	-47.43
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1F	REAL250004661135	0	31	-1.0	-46.89	270.68	2.23	-44.66
C=C(C)C(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661136	0	37	-1.0	-46.31	302.94	2.86	-43.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)C1	REAL250004661137	0	38	-1.0	-42.79	312.89	3.89	-38.90
CCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004661138	0	34	-1.0	-45.50	299.62	1.71	-43.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CC1	REAL250004661139	0	28	-1.0	-40.26	254.38	1.58	-38.68
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661140	0	32	-1.0	-43.83	277.99	0.39	-43.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)C1	REAL250004661141	0	33	-1.0	-45.21	284.34	1.75	-43.46
CN1C=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004661142	0	34	-1.0	-55.68	299.61	1.50	-54.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CCC1	REAL250004661143	0	34	-1.0	-45.56	284.76	2.62	-42.94
CC1=NOC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661144	0	30	-1.0	-49.47	270.16	1.11	-48.36
O=C(CC1CSC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661145	0	32	-1.0	-51.23	285.26	2.43	-48.80
COC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661146	0	32	-1.0	-46.99	275.28	-0.32	-47.31
N#CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661147	0	34	-1.0	-50.92	301.43	2.81	-48.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CC1	REAL250004661148	0	31	-1.0	-44.83	270.73	2.22	-42.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CSC1	REAL250004661149	0	29	-1.0	-51.45	263.54	1.58	-49.87
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CN1	REAL250004661150	0	31	-1.0	-48.21	273.88	1.16	-47.05
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC=N1	REAL250004661150	1	31	-1.0	-45.98	272.63	1.22	-44.76
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CN1	REAL250004661151	0	34	-1.0	-45.73	294.97	1.91	-43.82
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC=N1	REAL250004661151	1	34	-1.0	-49.42	294.40	1.94	-47.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004661152	0	38	-1.0	-42.90	317.53	4.27	-38.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1COC2	REAL250004661153	0	33	-1.0	-48.64	284.13	0.74	-47.90
CCC(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661154	0	31	-1.0	-47.73	277.30	1.69	-46.04
CCCC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661155	0	39	-1.0	-46.84	311.77	3.24	-43.60
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(=O)C1	REAL250004661156	0	33	-1.0	-47.49	284.94	1.67	-45.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CC2C1	REAL250004661157	0	35	-1.0	-43.63	290.02	3.37	-40.26
CSC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661158	0	34	-1.0	-49.67	292.97	2.32	-47.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CC21	REAL250004661159	0	38	-1.0	-43.13	304.93	3.88	-39.25
CC1=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL250004661160	0	34	-1.0	-51.24	298.89	2.50	-48.74
C=C1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661161	0	29	-1.0	-46.46	261.64	2.09	-44.37
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004661162	1	35	-1.0	-43.71	285.21	-0.54	-44.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H](O)C1	REAL250004661163	0	32	-1.0	-47.07	275.46	-1.37	-48.44
CC1(C)CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661164	0	37	-1.0	-46.51	302.37	3.00	-43.51
O=C(COCC(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661165	0	31	-1.0	-57.21	285.16	1.30	-55.91
CC1=COC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661166	0	31	-1.0	-50.01	274.94	1.73	-48.28
COCC(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661167	0	35	-1.0	-48.57	303.69	0.02	-48.55
COC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661168	0	35	-1.0	-46.16	297.48	1.00	-45.16
CC(CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661169	0	30	-1.0	-44.95	263.18	1.53	-43.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1COC(=O)N1	REAL250004661170	0	30	-1.0	-53.60	269.75	-2.66	-56.26
CC1=CN=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661171	0	34	-1.0	-50.94	298.18	3.27	-47.67
CCN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004661172	0	34	-1.0	-45.70	300.39	3.17	-42.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004661173	0	33	-1.0	-43.44	283.69	0.86	-42.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004661174	0	35	-1.0	-42.96	291.78	3.37	-39.59
CN1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661175	0	36	-1.0	-45.57	290.64	-0.45	-46.02
CN1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661176	0	36	-1.0	-48.88	298.44	0.19	-48.69
C[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C	REAL250004661177	1	35	-1.0	-47.17	282.59	-0.59	-47.76
CC1=NC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661178	0	32	-1.0	-45.60	281.03	0.14	-45.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2)C1	REAL250004661179	0	35	-1.0	-47.51	296.27	3.38	-44.13
C=C1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661180	0	35	-1.0	-42.21	295.10	3.06	-39.15
CC1=CC=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661181	0	34	-1.0	-54.14	299.56	1.64	-52.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CCC(=O)O1	REAL250004661182	0	31	-1.0	-55.30	275.90	1.92	-53.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC1CCCC2	REAL250004661183	0	38	-1.0	-46.50	305.89	3.84	-42.66
CCOC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661184	0	37	-1.0	-50.53	303.92	2.13	-48.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(C2CC2)C1	REAL250004661185	0	38	-1.0	-47.22	317.26	4.23	-42.99
CC1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1C1CC1	REAL250004661186	0	38	-1.0	-45.76	314.69	4.37	-41.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC12CC2	REAL250004661187	0	38	-1.0	-43.09	311.32	3.82	-39.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=N1	REAL250004661188	0	29	-1.0	-43.88	264.95	0.21	-43.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=CN1	REAL250004661189	1	30	-1.0	-57.89	273.21	-0.71	-58.60
N#CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL250004661190	0	29	-1.0	-47.32	276.82	1.56	-45.76
NC1=CC=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661191	0	32	-1.0	-42.88	280.48	-0.45	-43.33
CC1=CON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661192	0	30	-1.0	-45.54	270.51	0.98	-44.56
CC1CC1C1CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661193	0	38	-1.0	-46.72	317.19	4.21	-42.51
CN1N=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL250004661194	0	29	-1.0	-43.77	268.15	-1.23	-45.00
CC1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004661195	0	31	-1.0	-45.77	278.82	1.76	-44.01
CCCC(CC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661196	0	39	-1.0	-46.34	312.96	3.80	-42.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2(CC2)C12CC2	REAL250004661197	0	36	-1.0	-46.87	313.03	4.47	-42.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC=CCC1	REAL250004661198	0	38	-1.0	-46.57	304.31	3.75	-42.82
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661199	0	38	-1.0	-43.98	321.92	4.55	-39.43
C=CC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661200	0	37	-1.0	-45.72	299.42	3.02	-42.70
O=C(COC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661201	0	32	-1.0	-51.66	282.52	1.78	-49.88
CC1COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661202	0	35	-1.0	-50.99	294.53	1.87	-49.12
C=C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661203	0	38	-1.0	-46.58	310.90	3.73	-42.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CCC1	REAL250004661204	0	38	-1.0	-42.76	305.51	3.97	-38.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CC1	REAL250004661205	0	35	-1.0	-46.89	289.79	3.72	-43.17
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661206	0	38	-1.0	-46.59	308.61	3.83	-42.76
C#CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661207	0	30	-1.0	-51.93	287.88	2.60	-49.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC=N1	REAL250004661208	0	29	-1.0	-47.14	265.51	0.55	-46.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCC(=O)C21	REAL250004661209	0	34	-1.0	-45.45	287.23	2.21	-43.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1CCC2	REAL250004661210	0	35	-1.0	-42.73	292.45	3.32	-39.41
O=C(CC1CC=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661211	0	38	-1.0	-47.89	309.67	3.90	-43.99
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CCC1	REAL250004661212	0	35	-1.0	-46.17	292.18	3.06	-43.11
C=CC(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661213	0	37	-1.0	-46.76	308.46	3.32	-43.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)C=CN1	REAL250004661214	0	31	-1.0	-55.71	277.60	0.81	-54.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)O1	REAL250004661215	0	28	-1.0	-39.79	263.33	1.20	-38.59
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL250004661216	0	35	-1.0	-46.93	291.19	3.06	-43.87
CNC(=O)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661217	0	34	-1.0	-47.76	297.19	-0.94	-48.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCCC21	REAL250004661218	0	38	-1.0	-43.39	306.67	3.78	-39.61
CC1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661219	0	37	-1.0	-43.45	306.76	3.45	-40.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1F	REAL250004661220	0	31	-1.0	-50.54	270.09	2.07	-48.47
CCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004661221	0	34	-1.0	-47.52	299.04	1.09	-46.43
COC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661222	0	35	-1.0	-51.13	297.98	2.29	-48.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1CF	REAL250004661223	0	31	-1.0	-49.56	276.05	2.32	-47.24
CC(C)(CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661224	0	33	-1.0	-44.57	281.04	2.06	-42.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CCO1	REAL250004661225	0	33	-1.0	-50.02	283.37	1.89	-48.13
O=C(CC1CC(F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661226	0	34	-1.0	-51.32	292.09	2.89	-48.43
C=C(C)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661227	0	37	-1.0	-47.74	314.73	3.51	-44.23
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661228	0	29	-1.0	-45.00	268.82	1.95	-43.05
O=C(CCC[N+](=O)[O-])NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661229	0	32	-1.0	-54.96	288.17	1.92	-53.04
C=C(C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661230	0	34	-1.0	-46.52	293.53	2.74	-43.78
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL250004661231	0	39	-1.0	-46.82	307.28	3.09	-43.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)C1	REAL250004661232	0	31	-1.0	-47.01	270.52	2.11	-44.90
CCC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661233	0	30	-1.0	-46.43	265.38	1.56	-44.87
CC1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661234	0	37	-1.0	-46.72	296.93	3.02	-43.70
C#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL250004661235	0	36	-1.0	-45.67	305.55	3.56	-42.11
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C#N)C1	REAL250004661236	0	35	-1.0	-58.98	298.12	2.70	-56.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NS1	REAL250004661237	0	27	-1.0	-41.73	260.18	0.69	-41.04
CN1N=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661238	0	34	-1.0	-49.86	297.58	1.24	-48.62
CCN1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661239	0	35	-1.0	-46.67	298.67	3.38	-43.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1F	REAL250004661240	0	28	-1.0	-44.33	254.88	1.61	-42.72
O=C(CN1N=CN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661241	0	29	-1.0	-55.82	267.90	-0.09	-55.91
CC(C)=CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661242	0	37	-1.0	-46.73	311.35	3.52	-43.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)CC1CC1	REAL250004661243	0	34	-1.0	-47.58	297.25	3.11	-44.47
CC(=CC1CC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661244	0	35	-1.0	-46.63	296.90	3.57	-43.06
O=C(CCOC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661245	0	35	-1.0	-46.24	303.47	1.56	-44.68
CCSC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661246	0	34	-1.0	-49.37	300.54	2.63	-46.74
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)F	REAL250004661247	0	33	-1.0	-48.25	286.75	2.33	-45.92
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661248	0	31	-1.0	-42.94	269.47	2.19	-40.75
CC(C)CC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661249	0	36	-1.0	-47.36	302.28	2.80	-44.56
C=C(Cl)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661250	0	31	-1.0	-46.08	288.90	2.60	-43.48
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004661251	0	35	-1.0	-47.72	303.50	2.15	-45.57
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)OC	REAL250004661252	0	37	-1.0	-50.09	306.16	2.30	-47.79
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661253	0	37	-1.0	-46.71	309.93	3.50	-43.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)CO2	REAL250004661254	0	33	-1.0	-41.71	281.27	0.72	-40.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC=CCC1	REAL250004661255	0	35	-1.0	-42.44	291.09	3.19	-39.25
O=C(CC1CC(=O)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661256	0	33	-1.0	-53.19	288.23	1.89	-51.30
CN(C)C(=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661257	0	31	-1.0	-39.25	268.75	-0.72	-39.97
COC(=O)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661258	0	33	-1.0	-54.85	289.17	2.26	-52.59
O=C(CC1=CN=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661259	0	32	-1.0	-52.94	287.22	1.74	-51.20
CC1(F)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004661260	0	34	-1.0	-45.74	290.57	2.67	-43.07
CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661261	0	31	-1.0	-49.60	282.10	2.08	-47.52
CC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL250004661262	0	35	-1.0	-46.82	294.92	2.02	-44.80
CC1(C)CC1(C#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661263	0	35	-1.0	-42.55	302.47	2.88	-39.67
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661264	0	38	-1.0	-47.88	309.55	3.90	-43.98
CCC1=CNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004661265	0	35	-1.0	-45.13	303.17	2.30	-42.83
CC1=CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661266	0	38	-1.0	-42.35	312.15	3.83	-38.52
O=C(CC12CC(C1)C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661267	0	35	-1.0	-44.46	291.54	3.45	-41.01
O=C(CC1CC=CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661268	0	35	-1.0	-48.00	293.62	3.27	-44.73
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL250004661269	0	32	-1.0	-52.92	282.13	1.49	-51.43
O=C(CCCCCF)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661270	0	36	-1.0	-49.65	308.67	3.21	-46.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)CO1	REAL250004661271	0	31	-1.0	-51.37	276.39	0.28	-51.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004661272	0	32	-1.0	-45.83	283.13	2.80	-43.03
O=C(CC1CC2CC2C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661273	0	38	-1.0	-47.88	311.11	4.12	-43.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCCOC1	REAL250004661274	0	33	-1.0	-46.66	280.23	0.89	-45.77
C=CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004661275	0	35	-1.0	-46.05	291.49	3.44	-42.61
C[C@@H]1C[C@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL250004661276	0	35	-1.0	-42.55	295.92	3.34	-39.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC(=O)O1	REAL250004661277	0	29	-1.0	-59.35	265.91	1.08	-58.27
CO[C@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661278	0	31	-1.0	-50.10	270.46	0.73	-49.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004661279	0	35	-1.0	-47.11	290.43	3.27	-43.84
CC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004661280	0	33	-1.0	-43.26	291.38	2.00	-41.26
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C	REAL250004661281	0	34	-1.0	-48.78	297.65	1.33	-47.45
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL250004661282	0	32	-1.0	-44.45	282.00	1.41	-43.04
O=C(CC1CC2(CC2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661283	0	38	-1.0	-48.13	317.85	4.19	-43.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CC1(F)F	REAL250004661284	0	28	-1.0	-47.73	260.84	1.69	-46.04
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL250004661285	0	35	-1.0	-46.81	297.52	3.35	-43.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC(=O)O1	REAL250004661286	0	31	-1.0	-55.34	275.91	1.91	-53.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CCC1	REAL250004661287	0	34	-1.0	-46.47	288.24	2.81	-43.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)OC2	REAL250004661288	0	33	-1.0	-42.75	281.53	0.54	-42.21
C[C@H]1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H]1C	REAL250004661289	0	34	-1.0	-42.28	277.92	2.69	-39.59
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661290	0	35	-1.0	-50.61	289.75	0.73	-49.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC1(F)F	REAL250004661291	0	28	-1.0	-50.49	259.58	1.71	-48.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004661292	0	31	-1.0	-49.06	275.11	2.50	-46.56
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(=O)C1	REAL250004661293	0	31	-1.0	-46.09	285.78	1.28	-44.81
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CCCC1	REAL250004661294	0	38	-1.0	-45.97	306.13	3.62	-42.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC2)CC1	REAL250004661295	0	38	-1.0	-43.66	307.83	3.99	-39.67
CC(C)(F)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661296	0	36	-1.0	-47.11	303.08	2.83	-44.28
O=C(CN1C=NC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661297	0	30	-1.0	-58.95	272.59	2.60	-56.35
C#CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661298	0	30	-1.0	-53.66	277.93	1.53	-52.13
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661299	0	30	-1.0	-46.36	270.96	2.69	-43.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CC(=O)N1	REAL250004661300	0	29	-1.0	-55.12	262.51	-2.56	-57.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2C3CC1CC32	REAL250004661301	0	36	-1.0	-47.97	295.14	3.68	-44.29
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL250004661302	0	35	-1.0	-53.08	301.94	3.12	-49.96
CC1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004661303	0	28	-1.0	-46.92	257.41	1.25	-45.67
CC1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004661303	1	28	-1.0	-46.91	257.47	1.26	-45.65
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)SC=N1	REAL250004661304	0	28	-1.0	-35.33	267.97	1.04	-34.29
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)SC=N1	REAL250004661304	1	28	-1.0	-35.30	268.04	1.05	-34.25
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCO1	REAL250004661305	0	30	-1.0	-37.32	259.96	2.80	-34.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCO1	REAL250004661305	1	30	-1.0	-37.29	260.03	2.80	-34.49
O=C(NC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661306	0	30	-1.0	-35.61	264.56	-0.18	-35.79
O=C(NC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661306	1	30	-1.0	-35.63	264.63	-0.17	-35.80
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661307	0	38	-1.0	-47.00	293.21	4.95	-42.05
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661307	1	38	-1.0	-47.00	293.27	4.96	-42.04
CC1(C)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661308	0	38	-1.0	-34.99	300.87	5.19	-29.80
CC1(C)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661308	1	38	-1.0	-34.96	300.93	5.19	-29.77
CCC1(CC)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661309	0	47	-1.0	-46.41	327.82	6.23	-40.18
CCC1(CC)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661309	1	47	-1.0	-46.40	327.88	6.25	-40.15
CCC(O)(CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004661310	0	41	-1.0	-46.94	321.07	0.73	-46.21
CCC(O)(CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004661310	1	41	-1.0	-46.99	321.13	0.75	-46.24
CC(CCNC(=O)CCCC1=N[N-]N=N1)CC(C)(C)C	REAL250004661311	0	46	-1.0	-46.22	346.71	4.72	-41.50
CC(CCNC(=O)CCCC1=NN=N[N-]1)CC(C)(C)C	REAL250004661311	1	46	-1.0	-46.27	346.77	4.74	-41.53
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=N1	REAL250004661312	0	34	-1.0	-51.84	296.84	2.51	-49.33
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=N1	REAL250004661312	1	34	-1.0	-51.82	296.90	2.53	-49.29
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=N1	REAL250004661313	0	34	-1.0	-41.44	307.43	2.30	-39.14
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=N1	REAL250004661313	1	34	-1.0	-41.42	307.50	2.32	-39.10
O=C(NC1=CN=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661314	0	24	-1.0	-34.60	243.71	-0.23	-34.83
O=C(NC1=CN=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661314	1	24	-1.0	-34.62	243.65	-0.25	-34.87
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C2CC2)C1	REAL250004661315	0	34	-1.0	-47.61	289.15	1.14	-46.47
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C2CC2)C1	REAL250004661315	1	34	-1.0	-47.60	289.21	1.15	-46.45
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)(C2CC2)C1	REAL250004661316	0	34	-1.0	-36.61	294.50	0.73	-35.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)(C2CC2)C1	REAL250004661316	1	34	-1.0	-36.62	294.57	0.74	-35.88
CC(C)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661317	0	37	-1.0	-46.96	301.26	-0.17	-47.13
CC(C)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661317	1	37	-1.0	-46.96	301.32	-0.16	-47.12
NC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004661318	0	32	-1.0	-54.85	286.00	-5.44	-60.29
NC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004661318	1	32	-1.0	-54.86	286.06	-5.43	-60.29
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=N1	REAL250004661319	0	34	-1.0	-45.35	309.74	3.21	-42.14
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=N1	REAL250004661319	1	34	-1.0	-45.39	309.80	3.23	-42.16
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=N1	REAL250004661320	0	34	-1.0	-45.36	309.75	3.21	-42.15
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=N1	REAL250004661320	1	34	-1.0	-45.41	309.80	3.23	-42.18
O=C(CCCC1=N[N-]N=N1)NCC1=C2NC=CC2=CC=C1	REAL250004661321	0	36	-1.0	-47.23	310.44	3.48	-43.75
O=C(CCCC1=NN=N[N-]1)NCC1=C2NC=CC2=CC=C1	REAL250004661321	1	36	-1.0	-47.24	310.50	3.50	-43.74
COCCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661322	0	39	-1.0	-47.48	325.35	4.09	-43.39
COCCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661322	1	39	-1.0	-47.47	325.41	4.10	-43.37
O=C(CCCC1=N[N-]N=N1)NCCOC(F)(F)F	REAL250004661323	0	29	-1.0	-46.18	271.11	0.13	-46.05
O=C(CCCC1=NN=N[N-]1)NCCOC(F)(F)F	REAL250004661323	1	29	-1.0	-46.19	271.17	0.14	-46.05
O=C(CCCC1=N[N-]N=N1)NCC1CCC=CO1	REAL250004661324	0	34	-1.0	-46.55	285.98	1.87	-44.68
O=C(CCCC1=NN=N[N-]1)NCC1CCC=CO1	REAL250004661324	1	34	-1.0	-46.53	286.04	1.88	-44.65
O=C(NCC1CCC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661325	0	34	-1.0	-36.23	296.58	1.67	-34.56
O=C(NCC1CCC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661325	1	34	-1.0	-36.24	296.64	1.67	-34.57
COC(CCNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004661326	0	35	-1.0	-47.77	309.07	1.37	-46.40
COC(CCNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004661326	1	35	-1.0	-47.80	309.13	1.38	-46.42
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004661327	0	38	-1.0	-46.76	326.98	4.81	-41.95
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004661327	1	38	-1.0	-46.83	327.03	4.83	-42.00
COC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661328	0	32	-1.0	-36.12	283.34	0.12	-36.00
COC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661328	1	32	-1.0	-36.10	283.40	0.13	-35.97
CN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004661329	0	36	-1.0	-55.10	298.09	1.19	-53.91
CN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004661329	1	36	-1.0	-55.10	298.15	1.20	-53.90
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661330	0	44	-1.0	-46.50	325.69	5.60	-40.90
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661330	1	44	-1.0	-46.52	325.75	5.62	-40.90
CN1C=CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C21	REAL250004661331	0	36	-1.0	-50.92	301.53	5.42	-45.50
CN1C=CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C21	REAL250004661331	1	36	-1.0	-50.90	301.59	5.43	-45.47
CCCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004661332	0	42	-1.0	-52.64	333.69	4.34	-48.30
CCCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004661332	1	42	-1.0	-52.62	333.74	4.35	-48.27
O=C(CCCC1=N[N-]N=N1)NNC1=NC=NC=C1Cl	REAL250004661333	0	29	-1.0	-46.37	276.68	2.63	-43.74
O=C(CCCC1=NN=N[N-]1)NNC1=NC=NC=C1Cl	REAL250004661333	1	29	-1.0	-46.36	276.74	2.64	-43.72
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(CO)O1	REAL250004661334	0	37	-1.0	-49.03	297.07	-0.26	-49.29
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(CO)O1	REAL250004661334	1	37	-1.0	-49.06	297.13	-0.25	-49.31
CCN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004661335	0	39	-1.0	-52.59	312.19	3.59	-49.00
CCN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004661335	1	39	-1.0	-52.59	312.24	3.61	-48.98
O=C(CCCC1=N[N-]N=N1)NCCOCC(F)F	REAL250004661336	0	32	-1.0	-51.68	287.64	0.83	-50.85
O=C(CCCC1=NN=N[N-]1)NCCOCC(F)F	REAL250004661336	1	32	-1.0	-51.71	287.69	0.84	-50.87
O=C(NCCOCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661337	0	32	-1.0	-41.66	298.23	0.62	-41.04
O=C(NCCOCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661337	1	32	-1.0	-41.63	298.30	0.63	-41.00
CC1CC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661338	0	33	-1.0	-37.25	277.50	0.30	-36.95
CC1CC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661338	1	33	-1.0	-37.26	277.57	0.31	-36.95
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C2NC=CC2=C1	REAL250004661339	0	36	-1.0	-50.76	303.04	4.30	-46.46
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C2NC=CC2=C1	REAL250004661339	1	36	-1.0	-50.73	303.10	4.32	-46.41
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004661340	0	33	-1.0	-48.83	289.00	2.72	-46.11
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004661340	1	33	-1.0	-48.81	289.06	2.74	-46.07
CN1N=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL250004661341	0	35	-1.0	-49.77	301.52	3.30	-46.47
CN1N=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL250004661341	1	35	-1.0	-49.80	301.47	3.28	-46.52
C[C@@H](O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661342	0	41	-1.0	-47.22	322.06	-0.68	-47.90
C[C@@H](O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661342	1	41	-1.0	-47.21	322.12	-0.66	-47.87
CCOC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661343	0	38	-1.0	-46.59	305.82	1.76	-44.83
CCOC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661343	1	38	-1.0	-46.61	305.87	1.78	-44.83
CCOC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661344	0	38	-1.0	-36.25	316.40	1.55	-34.70
CCOC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661344	1	38	-1.0	-36.29	316.47	1.56	-34.73
CC(C)(O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661345	0	36	-1.0	-47.64	294.63	1.06	-46.58
CC(C)(O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661345	1	36	-1.0	-47.64	294.69	1.07	-46.57
CC(C)(O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661346	0	36	-1.0	-38.03	302.87	0.92	-37.11
CC(C)(O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661346	1	36	-1.0	-37.97	302.94	0.94	-37.03
CNC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004661347	0	38	-1.0	-46.25	307.94	0.37	-45.88
CNC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004661347	1	38	-1.0	-46.25	308.00	0.38	-45.87
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCN1CCO	REAL250004661348	1	44	-1.0	-47.60	330.32	0.17	-47.43
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCN1CCO	REAL250004661348	1	44	-1.0	-47.63	330.38	0.18	-47.45
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004661349	0	42	-1.0	-46.23	325.14	3.87	-42.36
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004661349	1	42	-1.0	-46.23	325.20	3.89	-42.34
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004661350	0	38	-1.0	-50.39	310.42	4.09	-46.30
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004661350	1	38	-1.0	-50.40	310.48	4.10	-46.30
CC(C)CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004661351	0	41	-1.0	-47.82	336.06	4.14	-43.68
CC(C)CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004661351	1	41	-1.0	-47.84	336.12	4.16	-43.68
CCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004661352	0	39	-1.0	-46.38	301.86	3.46	-42.92
CCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004661352	1	39	-1.0	-46.39	301.92	3.48	-42.91
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004661353	0	34	-1.0	-47.42	292.02	-0.08	-47.50
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004661353	1	34	-1.0	-47.43	292.08	-0.06	-47.49
C=CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661354	0	32	-1.0	-36.04	279.26	4.30	-31.74
C=CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661354	1	32	-1.0	-36.00	279.34	4.33	-31.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2CCC1CC2	REAL250004661356	1	38	-1.0	-36.09	291.93	3.12	-32.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2CCC1CC2	REAL250004661356	1	38	-1.0	-36.11	292.00	3.12	-32.99
NC(=O)C1C2CCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004661358	0	40	-1.0	-54.66	312.66	1.29	-53.37
NC(=O)C1C2CCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004661358	1	40	-1.0	-54.64	312.71	1.31	-53.33
CCOCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661359	0	42	-1.0	-46.89	345.98	2.95	-43.94
CCOCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661359	1	42	-1.0	-46.91	346.04	2.97	-43.94
CCOC(CCNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004661360	0	42	-1.0	-48.58	344.12	2.10	-46.48
CCOC(CCNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004661360	1	42	-1.0	-48.59	344.18	2.11	-46.48
CCCN(CC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004661361	0	37	-1.0	-49.90	313.16	4.64	-45.26
CCCN(CC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004661361	1	37	-1.0	-49.88	313.22	4.66	-45.22
CC(O)CN(C(=O)CCCC1=N[N-]N=N1)C(C)CO	REAL250004661362	0	39	-1.0	-49.96	310.06	-0.79	-50.75
CC(O)CN(C(=O)CCCC1=NN=N[N-]1)C(C)CO	REAL250004661362	1	39	-1.0	-49.98	310.12	-0.77	-50.75
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661363	0	41	-1.0	-46.90	315.40	4.05	-42.85
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661363	1	41	-1.0	-46.93	315.46	4.06	-42.87
CC(C)OC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661364	0	38	-1.0	-52.01	317.71	4.05	-47.96
CC(C)OC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661364	1	38	-1.0	-51.99	317.65	4.03	-47.96
CC[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661365	0	32	-1.0	-36.45	281.23	-1.20	-37.65
CC[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661365	1	32	-1.0	-36.45	281.30	-1.20	-37.65
CC(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661366	0	41	-1.0	-47.01	312.97	5.32	-41.69
CC(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661366	1	41	-1.0	-47.05	313.03	5.33	-41.72
COC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004661367	0	34	-1.0	-47.26	296.81	1.52	-45.74
COC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004661367	1	34	-1.0	-47.33	296.86	1.53	-45.80
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661368	0	38	-1.0	-46.26	307.70	3.63	-42.63
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661368	1	38	-1.0	-46.25	307.76	3.64	-42.61
CC1(C)CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661369	0	38	-1.0	-34.77	318.29	3.42	-31.35
CC1(C)CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661369	1	38	-1.0	-34.73	318.36	3.43	-31.30
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(F)C(F)=C1	REAL250004661370	0	35	-1.0	-50.89	313.29	4.37	-46.52
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(F)C(F)=C1	REAL250004661370	1	35	-1.0	-50.90	313.35	4.38	-46.52
CN1C=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004661371	0	36	-1.0	-51.71	307.10	5.11	-46.60
CN1C=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004661371	1	36	-1.0	-51.74	307.15	5.12	-46.62
CC1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661372	0	41	-1.0	-47.48	313.31	4.18	-43.30
CC1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661372	1	41	-1.0	-47.44	313.36	4.21	-43.23
COC(COCCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004661373	0	40	-1.0	-51.35	334.49	0.12	-51.23
COC(COCCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004661373	1	40	-1.0	-51.41	334.55	0.14	-51.27
NC(=O)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661374	0	34	-1.0	-50.38	302.05	-3.11	-53.49
NC(=O)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661374	1	34	-1.0	-50.41	302.10	-3.09	-53.50
CC1(C)CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661375	0	41	-1.0	-47.25	300.43	5.39	-41.86
CC1(C)CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661375	1	41	-1.0	-47.26	300.49	5.40	-41.86
CC(C)C(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004661376	0	37	-1.0	-48.77	310.26	4.34	-44.43
CC(C)C(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004661376	1	37	-1.0	-48.82	310.32	4.35	-44.47
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=O)C=CNC2=C1	REAL250004661378	0	35	-1.0	-53.46	304.12	3.20	-50.26
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=O)C=CNC2=C1	REAL250004661378	1	35	-1.0	-53.51	304.18	3.21	-50.30
O=C(CCCC1=N[N-]N=N1)NC1=NC(Cl)=CC=C1O	REAL250004661379	0	29	-1.0	-54.52	276.01	0.72	-53.80
O=C(CCCC1=NN=N[N-]1)NC1=NC(Cl)=CC=C1O	REAL250004661379	1	29	-1.0	-54.52	276.07	0.74	-53.78
CC(C)(O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661382	0	39	-1.0	-48.61	320.09	2.17	-46.44
CC(C)(O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661382	1	39	-1.0	-48.65	320.15	2.18	-46.47
NC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL250004661383	0	36	-1.0	-50.33	300.59	3.13	-47.20
NC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL250004661383	1	36	-1.0	-50.37	300.65	3.14	-47.23
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)C(=O)NC=N2	REAL250004661384	0	35	-1.0	-52.80	294.47	2.50	-50.30
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)C(=O)NC=N2	REAL250004661384	1	35	-1.0	-52.77	294.53	2.51	-50.26
CC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004661385	0	37	-1.0	-57.97	315.98	3.08	-54.89
CC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004661385	1	37	-1.0	-58.02	316.04	3.10	-54.92
CC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661386	0	38	-1.0	-47.33	293.30	5.23	-42.10
CC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661386	1	38	-1.0	-47.33	293.36	5.24	-42.09
CC1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661387	0	38	-1.0	-35.75	295.05	5.91	-29.84
CC1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661387	1	38	-1.0	-35.72	295.11	5.91	-29.81
CC(C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661388	0	40	-1.0	-46.17	304.34	3.53	-42.64
CC(C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661388	1	40	-1.0	-46.16	304.40	3.55	-42.61
CC(C)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661389	0	40	-1.0	-34.68	314.93	3.32	-31.36
CC(C)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661389	1	40	-1.0	-34.67	315.00	3.34	-31.33
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)SC=N2	REAL250004661390	0	32	-1.0	-48.48	280.74	2.99	-45.49
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)SC=N2	REAL250004661390	1	32	-1.0	-48.45	280.80	3.00	-45.45
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCC2)C1	REAL250004661391	0	42	-1.0	-47.62	317.10	5.98	-41.64
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCC2)C1	REAL250004661391	1	42	-1.0	-47.65	317.16	6.00	-41.65
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCO2)CC1	REAL250004661392	0	43	-1.0	-48.98	331.58	4.49	-44.49
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCO2)CC1	REAL250004661392	1	43	-1.0	-49.04	331.64	4.50	-44.54
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCC1O	REAL250004661393	0	39	-1.0	-48.72	302.20	1.73	-46.99
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCC1O	REAL250004661393	1	39	-1.0	-48.78	302.26	1.75	-47.03
O=C(CCCC1=N[N-]N=N1)N[C@H](CO)CC1=CC=CC=C1	REAL250004661394	0	39	-1.0	-47.58	329.01	2.00	-45.58
O=C(CCCC1=NN=N[N-]1)N[C@H](CO)CC1=CC=CC=C1	REAL250004661394	1	39	-1.0	-47.59	329.07	2.01	-45.58
COCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004661395	0	40	-1.0	-47.89	324.01	1.93	-45.96
COCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004661395	1	40	-1.0	-47.85	324.07	1.94	-45.91
CNS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004661396	0	33	-1.0	-57.68	297.27	-3.33	-61.01
CNS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004661396	1	33	-1.0	-57.69	297.33	-3.32	-61.01
C#CCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661398	0	35	-1.0	-49.03	309.46	4.25	-44.78
C#CCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661398	1	35	-1.0	-49.02	309.52	4.26	-44.76
CC1=CC=CC(F)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004661399	0	34	-1.0	-47.01	295.10	3.93	-43.08
CC1=CC=CC(F)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004661399	1	34	-1.0	-47.05	295.16	3.94	-43.11
COC1=CC(C)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004661400	0	36	-1.0	-53.57	306.50	3.56	-50.01
COC1=CC(C)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004661400	1	36	-1.0	-53.58	306.56	3.57	-50.01
CC(C(=O)NC(C)(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661401	0	44	-1.0	-49.74	344.10	2.97	-46.77
CC(C(=O)NC(C)(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661401	1	44	-1.0	-49.73	344.15	2.98	-46.75
CC1=CC(C)=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004661402	0	42	-1.0	-47.14	333.80	6.99	-40.15
CC1=CC(C)=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004661402	1	42	-1.0	-47.19	333.86	7.00	-40.19
O=C(CCCC1=N[N-]N=N1)NOCC1CCOC1	REAL250004661403	0	34	-1.0	-51.61	288.65	1.71	-49.90
O=C(CCCC1=NN=N[N-]1)NOCC1CCOC1	REAL250004661403	1	34	-1.0	-51.58	288.71	1.72	-49.86
O=C(NOCC1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661404	0	34	-1.0	-37.63	299.24	1.50	-36.13
O=C(NOCC1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661404	1	34	-1.0	-37.60	299.31	1.51	-36.09
O=C(CCCC1=N[N-]N=N1)NCC1OCCCO1	REAL250004661405	0	34	-1.0	-46.89	284.88	0.38	-46.51
O=C(CCCC1=NN=N[N-]1)NCC1OCCCO1	REAL250004661405	1	34	-1.0	-46.88	284.94	0.40	-46.48
O=C(NCC1OCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661406	0	34	-1.0	-37.71	295.48	0.18	-37.53
O=C(NCC1OCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661406	1	34	-1.0	-37.71	295.54	0.18	-37.53
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004661407	0	37	-1.0	-58.86	313.75	3.79	-55.07
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004661407	1	37	-1.0	-58.88	313.81	3.80	-55.08
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661408	0	44	-1.0	-46.32	320.15	5.46	-40.86
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661408	1	44	-1.0	-46.29	320.20	5.48	-40.81
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1	REAL250004661409	0	35	-1.0	-49.46	290.19	1.79	-47.67
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1	REAL250004661409	1	35	-1.0	-49.44	290.24	1.81	-47.63
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004661410	0	35	-1.0	-38.43	303.51	1.23	-37.20
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004661410	1	35	-1.0	-38.43	303.58	1.23	-37.20
CC(C)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661411	0	41	-1.0	-45.92	339.31	5.40	-40.52
CC(C)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661411	1	41	-1.0	-45.93	339.36	5.41	-40.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]1CO	REAL250004661412	0	33	-1.0	-39.46	275.84	2.12	-37.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]1CO	REAL250004661412	1	33	-1.0	-39.48	275.91	2.15	-37.33
CC1=CC=C2NC(CNC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004661413	0	38	-1.0	-49.34	326.76	2.87	-46.47
CC1=CC=C2NC(CNC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004661413	1	38	-1.0	-49.33	326.82	2.88	-46.45
CC1=CC=C2N=C(CNC(=O)CCCC3=N[N-]N=N3)NC2=C1	REAL250004661413	1	38	-1.0	-49.01	326.78	2.86	-46.15
CC1=CC=C2N=C(CNC(=O)CCCC3=NN=N[N-]3)NC2=C1	REAL250004661413	1	38	-1.0	-49.03	326.84	2.88	-46.15
N#CCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661414	0	31	-1.0	-55.84	278.09	-0.19	-56.03
N#CCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661414	1	31	-1.0	-55.87	278.15	-0.17	-56.04
N#CCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661415	0	31	-1.0	-46.33	285.73	-0.24	-46.57
N#CCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661415	1	31	-1.0	-46.29	285.80	-0.23	-46.52
CC(C)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661416	0	36	-1.0	-47.81	298.34	0.79	-47.02
CC(C)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661416	1	36	-1.0	-47.85	298.39	0.80	-47.05
CC(C)C1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661417	0	36	-1.0	-36.71	306.32	0.72	-35.99
CC(C)C1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661417	1	36	-1.0	-36.63	306.39	0.73	-35.90
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CNC2=N1	REAL250004661418	0	34	-1.0	-64.41	298.48	1.85	-62.56
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CNC2=N1	REAL250004661418	1	34	-1.0	-64.41	298.54	1.87	-62.54
CC1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661419	0	35	-1.0	-52.05	290.10	0.36	-51.69
CC1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661419	1	35	-1.0	-52.05	290.16	0.38	-51.67
O=C(CCCC1=N[N-]N=N1)NC1(C2=NNC=N2)CCC1	REAL250004661420	0	35	-1.0	-53.10	293.84	2.93	-50.17
O=C(CCCC1=NN=N[N-]1)NC1(C2=NNC=N2)CCC1	REAL250004661420	1	35	-1.0	-53.10	293.89	2.94	-50.16
O=C(CCCC1=N[N-]N=N1)NCCC1=CSC(=O)N1	REAL250004661421	0	32	-1.0	-54.17	295.43	-0.03	-54.20
O=C(CCCC1=NN=N[N-]1)NCCC1=CSC(=O)N1	REAL250004661421	1	32	-1.0	-54.16	295.49	-0.01	-54.17
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=NC=C1	REAL250004661422	0	38	-1.0	-49.86	324.19	0.23	-49.63
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=NC=C1	REAL250004661422	1	38	-1.0	-49.90	324.25	0.24	-49.66
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661423	0	35	-1.0	-47.46	306.88	2.63	-44.83
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661423	1	35	-1.0	-47.46	306.94	2.65	-44.81
O=C(CCCC1=N[N-]N=N1)NC1=C(Cl)SC=C1	REAL250004661424	0	26	-1.0	-43.76	257.25	2.91	-40.85
O=C(CCCC1=NN=N[N-]1)NC1=C(Cl)SC=C1	REAL250004661424	1	26	-1.0	-43.78	257.30	2.93	-40.85
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCNC1=O	REAL250004661425	0	36	-1.0	-54.22	292.86	1.15	-53.07
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCNC1=O	REAL250004661425	1	36	-1.0	-54.21	292.92	1.17	-53.04
O=C(CCCC1=N[N-]N=N1)N1CC2(CC2)C2=CC=CC=C21	REAL250004661426	0	37	-1.0	-46.49	305.50	6.63	-39.86
O=C(CCCC1=NN=N[N-]1)N1CC2(CC2)C2=CC=CC=C21	REAL250004661426	1	37	-1.0	-46.48	305.56	6.64	-39.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1	REAL250004661427	0	32	-1.0	-35.10	264.57	3.89	-31.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1	REAL250004661427	1	32	-1.0	-35.07	264.64	3.89	-31.18
CC1CN(C)C(=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004661428	0	36	-1.0	-47.96	291.71	2.29	-45.67
CC1CN(C)C(=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004661428	1	36	-1.0	-47.98	291.77	2.31	-45.67
COC1=CC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004661429	0	35	-1.0	-49.64	298.29	2.38	-47.26
COC1=CC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004661429	1	35	-1.0	-49.68	298.35	2.39	-47.29
O=C(CCCC1=N[N-]N=N1)N1CCOCC2(CCCC2)C1	REAL250004661430	0	43	-1.0	-49.41	321.04	4.79	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCOCC2(CCCC2)C1	REAL250004661430	1	43	-1.0	-49.44	321.10	4.81	-44.63
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004661431	0	43	-1.0	-46.04	322.05	4.85	-41.19
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004661431	1	43	-1.0	-46.05	322.10	4.86	-41.19
CN(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661433	0	35	-1.0	-47.49	306.98	1.34	-46.15
CN(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661433	1	35	-1.0	-47.49	307.04	1.36	-46.13
CCCC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004661434	0	37	-1.0	-47.17	322.35	3.50	-43.67
CCCC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004661434	1	37	-1.0	-47.17	322.40	3.52	-43.65
CCOCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661435	0	33	-1.0	-38.85	298.62	1.60	-37.25
CCOCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661435	1	33	-1.0	-38.82	298.69	1.61	-37.21
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004661436	0	31	-1.0	-47.13	275.50	2.56	-44.57
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004661436	1	31	-1.0	-47.16	275.56	2.58	-44.58
O=C(CCCC1=N[N-]N=N1)NCC1(O)CCOCC1	REAL250004661437	0	37	-1.0	-48.62	298.69	-1.46	-50.08
O=C(CCCC1=NN=N[N-]1)NCC1(O)CCOCC1	REAL250004661437	1	37	-1.0	-48.59	298.75	-1.45	-50.04
CSC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004661439	0	31	-1.0	-47.05	303.06	0.80	-46.25
CSC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004661439	1	31	-1.0	-47.08	303.12	0.81	-46.27
CC(C)OCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004661440	0	43	-1.0	-48.09	344.99	2.91	-45.18
CC(C)OCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004661440	1	43	-1.0	-48.08	345.04	2.92	-45.16
O=C(CCCC1=N[N-]N=N1)NNC1=C(F)C=CC=C1Cl	REAL250004661441	0	31	-1.0	-48.13	291.31	3.72	-44.41
O=C(CCCC1=NN=N[N-]1)NNC1=C(F)C=CC=C1Cl	REAL250004661441	1	31	-1.0	-48.07	291.37	3.74	-44.33
CCOC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661442	0	40	-1.0	-55.19	336.55	1.92	-53.27
CCOC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661442	1	40	-1.0	-55.20	336.61	1.93	-53.27
CC(C)C1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661443	0	41	-1.0	-45.89	335.07	5.30	-40.59
CC(C)C1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661443	1	41	-1.0	-45.90	335.13	5.31	-40.59
CCOC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661444	0	42	-1.0	-49.13	344.08	3.26	-45.87
CCOC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661444	1	42	-1.0	-49.11	344.14	3.27	-45.84
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004661445	0	42	-1.0	-45.30	323.80	2.84	-42.46
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004661445	1	42	-1.0	-45.28	323.86	2.86	-42.42
O=C(CCCC1=N[N-]N=N1)NCCN1CCCOCC1	REAL250004661446	1	41	-1.0	-48.08	322.40	0.05	-48.03
O=C(CCCC1=NN=N[N-]1)NCCN1CCCOCC1	REAL250004661446	1	41	-1.0	-48.12	322.46	0.06	-48.06
COC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004661447	0	34	-1.0	-48.39	281.00	1.31	-47.08
COC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004661447	1	34	-1.0	-48.38	281.06	1.32	-47.06
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC2=CN=CC=C21	REAL250004661448	0	36	-1.0	-49.86	307.81	3.51	-46.35
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC2=CN=CC=C21	REAL250004661448	1	36	-1.0	-49.89	307.87	3.52	-46.37
COC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661449	0	34	-1.0	-51.67	298.36	0.19	-51.48
COC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661449	1	34	-1.0	-51.70	298.42	0.21	-51.49
O=C(CCCC1=N[N-]N=N1)NC1(CC2=CC=CC=C2)CC1	REAL250004661450	0	39	-1.0	-47.69	326.33	5.62	-42.07
O=C(CCCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2)CC1	REAL250004661450	1	39	-1.0	-47.70	326.38	5.63	-42.07
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=NC=N2)C1	REAL250004661451	0	35	-1.0	-54.36	296.83	4.83	-49.53
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=NC=N2)C1	REAL250004661451	1	35	-1.0	-54.28	296.77	4.81	-49.47
O=C(CCCC1=N[N-]N=N1)NOCCC(F)(F)F	REAL250004661452	0	29	-1.0	-49.26	272.17	2.75	-46.51
O=C(CCCC1=NN=N[N-]1)NOCCC(F)(F)F	REAL250004661452	1	29	-1.0	-49.32	272.23	2.76	-46.56
O=C(CCCC1=N[N-]N=N1)N1CCC2=NNC(=O)C=C2C1	REAL250004661453	0	35	-1.0	-51.03	295.00	1.23	-49.80
O=C(CCCC1=NN=N[N-]1)N1CCC2=NNC(=O)C=C2C1	REAL250004661453	1	35	-1.0	-51.02	295.06	1.25	-49.77
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004661454	0	35	-1.0	-47.97	298.17	2.56	-45.41
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004661454	1	35	-1.0	-47.93	298.23	2.57	-45.36
C#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCO1	REAL250004661455	0	35	-1.0	-37.80	310.48	1.82	-35.98
C#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCO1	REAL250004661455	1	35	-1.0	-37.79	310.55	1.82	-35.97
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1C	REAL250004661456	0	38	-1.0	-46.46	300.36	4.81	-41.65
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1C	REAL250004661456	1	38	-1.0	-46.48	300.42	4.83	-41.65
CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004661457	0	38	-1.0	-36.02	303.31	4.95	-31.07
CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004661457	1	38	-1.0	-35.98	303.38	4.96	-31.02
N#CC1(CNC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661458	0	37	-1.0	-50.65	328.11	0.81	-49.84
N#CC1(CNC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661458	1	37	-1.0	-50.72	328.17	0.82	-49.90
CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661459	0	36	-1.0	-50.34	292.02	1.01	-49.33
CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661459	1	36	-1.0	-50.37	292.07	1.03	-49.34
CCC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661460	0	36	-1.0	-37.95	298.86	1.16	-36.79
CCC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661460	1	36	-1.0	-37.92	298.93	1.16	-36.76
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=CN=C2C1	REAL250004661461	0	36	-1.0	-55.22	300.16	3.08	-52.14
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=CN=C2C1	REAL250004661461	1	36	-1.0	-55.20	300.22	3.10	-52.10
CCOC(=O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004661462	0	35	-1.0	-46.32	305.81	-0.92	-47.24
CCOC(=O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004661462	1	35	-1.0	-46.32	305.87	-0.90	-47.22
CC(C)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661463	0	44	-1.0	-46.37	319.01	5.35	-41.02
CC(C)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661463	1	44	-1.0	-46.39	319.07	5.37	-41.02
CN(CC1(O)CCCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661464	0	45	-1.0	-46.54	327.73	3.66	-42.88
CN(CC1(O)CCCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661464	1	45	-1.0	-46.54	327.79	3.68	-42.86
CSCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661465	0	38	-1.0	-47.47	328.40	4.02	-43.45
CSCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661465	1	38	-1.0	-47.42	328.46	4.04	-43.38
CC1(C)C(O)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004661466	0	36	-1.0	-49.89	292.00	-0.11	-50.00
CC1(C)C(O)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004661466	1	36	-1.0	-49.87	292.06	-0.09	-49.96
CC1(C)C(O)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661467	0	36	-1.0	-36.33	303.45	-0.35	-36.68
CC1(C)C(O)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661467	1	36	-1.0	-36.29	303.52	-0.35	-36.64
CCOC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661468	0	35	-1.0	-35.94	304.16	1.25	-34.69
CCOC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661468	1	35	-1.0	-35.90	304.23	1.26	-34.64
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOC2=O	REAL250004661469	0	36	-1.0	-53.52	292.47	3.92	-49.60
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOC2=O	REAL250004661469	1	36	-1.0	-53.57	292.52	3.93	-49.64
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@H]1O	REAL250004661470	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@H]1O	REAL250004661470	1	36	-1.0	-49.78	292.38	-0.11	-49.89
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661471	0	36	-1.0	-38.00	302.92	-0.33	-38.33
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661471	1	36	-1.0	-37.98	302.98	-0.30	-38.28
CC(C)(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661472	0	35	-1.0	-37.01	299.64	-1.00	-38.01
CC(C)(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661472	1	35	-1.0	-36.93	299.71	-0.99	-37.92
CCOC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661473	0	38	-1.0	-47.34	328.74	3.54	-43.80
CCOC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661473	1	38	-1.0	-47.34	328.79	3.56	-43.78
O=C(CCCC1=N[N-]N=N1)N1CCN2N=CN=C2C1	REAL250004661474	0	32	-1.0	-48.77	271.46	3.47	-45.30
O=C(CCCC1=NN=N[N-]1)N1CCN2N=CN=C2C1	REAL250004661474	1	32	-1.0	-48.78	271.52	3.48	-45.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2N=CN=C2C1	REAL250004661475	0	32	-1.0	-38.41	278.73	3.70	-34.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2N=CN=C2C1	REAL250004661475	1	32	-1.0	-38.40	278.79	3.71	-34.69
CC1C(=O)N(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661476	0	36	-1.0	-54.03	293.42	2.35	-51.68
CC1C(=O)N(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661476	1	36	-1.0	-54.05	293.48	2.37	-51.68
CC(C)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004661477	0	42	-1.0	-47.90	331.40	3.92	-43.98
CC(C)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004661477	1	42	-1.0	-47.94	331.46	3.93	-44.01
COC(=O)[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661478	0	38	-1.0	-51.54	311.37	4.21	-47.33
COC(=O)[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661478	1	38	-1.0	-51.60	311.43	4.23	-47.37
CC(C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661479	0	47	-1.0	-47.50	348.03	5.33	-42.17
CC(C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661479	1	47	-1.0	-47.48	348.09	5.34	-42.14
C[C@H](O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661480	0	41	-1.0	-48.88	317.56	-0.61	-49.49
C[C@H](O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661480	1	41	-1.0	-48.92	317.62	-0.60	-49.52
CCN(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661481	0	35	-1.0	-47.15	296.23	1.03	-46.12
CCN(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661481	1	35	-1.0	-47.14	296.29	1.05	-46.09
CCN(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661482	0	35	-1.0	-40.53	306.83	0.82	-39.71
CCN(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661482	1	35	-1.0	-40.51	306.89	0.83	-39.68
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C2(CC2)C1	REAL250004661483	0	40	-1.0	-47.40	322.54	6.92	-40.48
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C2(CC2)C1	REAL250004661483	1	40	-1.0	-47.38	322.60	6.94	-40.44
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCCC1	REAL250004661484	0	39	-1.0	-49.25	310.23	0.71	-48.54
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCCC1	REAL250004661484	1	39	-1.0	-49.27	310.28	0.73	-48.54
CCC1C(=O)N(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661485	0	42	-1.0	-50.80	324.43	3.80	-47.00
CCC1C(=O)N(CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661485	1	42	-1.0	-50.82	324.49	3.81	-47.01
CC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661486	0	34	-1.0	-46.57	291.57	2.22	-44.35
CC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661486	1	34	-1.0	-46.54	291.63	2.23	-44.31
CC1=CN=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661487	0	34	-1.0	-36.37	302.13	2.25	-34.12
CC1=CN=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661487	1	34	-1.0	-36.40	302.20	2.26	-34.14
CCN(CC(O)C(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004661489	0	35	-1.0	-46.32	303.82	2.06	-44.26
CCN(CC(O)C(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004661489	1	35	-1.0	-46.36	303.88	2.07	-44.29
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NC2=CC=CN=C21	REAL250004661490	0	34	-1.0	-58.01	296.81	5.73	-52.28
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NC2=CC=CN=C21	REAL250004661490	1	34	-1.0	-57.98	296.75	5.72	-52.26
NC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004661492	0	29	-1.0	-49.00	264.50	-6.21	-55.21
NC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004661492	1	29	-1.0	-49.03	264.56	-6.19	-55.22
NC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004661493	0	29	-1.0	-39.71	275.09	-6.41	-46.12
NC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004661493	1	29	-1.0	-39.70	275.16	-6.40	-46.10
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCC2	REAL250004661494	0	36	-1.0	-36.87	299.74	4.38	-32.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCC2	REAL250004661494	1	36	-1.0	-36.83	299.81	4.39	-32.44
O=C(CCCC1=N[N-]N=N1)NOC1CCOCC1	REAL250004661495	0	34	-1.0	-51.44	286.07	1.84	-49.60
O=C(CCCC1=NN=N[N-]1)NOC1CCOCC1	REAL250004661495	1	34	-1.0	-51.49	286.12	1.86	-49.63
O=C(NOC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661496	0	34	-1.0	-37.00	296.66	1.63	-35.37
O=C(NOC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661496	1	34	-1.0	-36.99	296.73	1.64	-35.35
O=C(CCCC1=N[N-]N=N1)N1CCCC(OCC2CC2)C1	REAL250004661497	0	43	-1.0	-48.16	342.75	5.14	-43.02
O=C(CCCC1=NN=N[N-]1)N1CCCC(OCC2CC2)C1	REAL250004661497	1	43	-1.0	-48.19	342.81	5.15	-43.04
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCOC2)C1	REAL250004661498	0	38	-1.0	-48.26	299.05	1.12	-47.14
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCOC2)C1	REAL250004661498	1	38	-1.0	-48.31	299.11	1.14	-47.17
CCC1C(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661499	0	38	-1.0	-47.78	297.16	4.73	-43.05
CCC1C(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661499	1	38	-1.0	-47.80	297.22	4.75	-43.05
CCC1C(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661500	0	38	-1.0	-36.60	297.27	4.77	-31.83
CCC1C(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661500	1	38	-1.0	-36.58	297.34	4.77	-31.81
COC1=CC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661501	0	33	-1.0	-45.83	297.74	3.31	-42.52
COC1=CC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661501	1	33	-1.0	-45.81	297.79	3.33	-42.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CC2)C1	REAL250004661502	0	36	-1.0	-35.34	296.03	5.14	-30.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CC2)C1	REAL250004661502	1	36	-1.0	-35.29	296.10	5.16	-30.13
CCC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661503	0	42	-1.0	-51.62	317.34	2.29	-49.33
CCC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661503	1	42	-1.0	-51.63	317.40	2.30	-49.33
C=CC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661504	0	33	-1.0	-35.59	295.53	0.77	-34.82
C=CC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661504	1	33	-1.0	-35.58	295.60	0.78	-34.80
COC(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661505	0	34	-1.0	-50.79	298.08	-0.10	-50.89
COC(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661505	1	34	-1.0	-50.83	298.14	-0.09	-50.92
O=C(CCCC1=N[N-]N=N1)NCC1=NN=NN1CC1CC1	REAL250004661506	0	37	-1.0	-47.70	321.82	1.88	-45.82
O=C(CCCC1=NN=N[N-]1)NCC1=NN=NN1CC1CC1	REAL250004661506	1	37	-1.0	-47.72	321.88	1.90	-45.82
O=C(CCCC1=N[N-]N=N1)NOC1CCCCC1	REAL250004661507	0	36	-1.0	-49.88	295.13	4.23	-45.65
O=C(CCCC1=NN=N[N-]1)NOC1CCCCC1	REAL250004661507	1	36	-1.0	-49.90	295.20	4.24	-45.66
O=C(NOC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661508	0	36	-1.0	-35.94	305.73	4.02	-31.92
O=C(NOC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661508	1	36	-1.0	-35.89	305.79	4.03	-31.86
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=C1F	REAL250004661509	0	32	-1.0	-46.48	301.39	4.02	-42.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1F	REAL250004661509	1	32	-1.0	-46.54	301.45	4.03	-42.51
O=C(CCCC1=N[N-]N=N1)NC1=C2NC=CC2=CC=C1	REAL250004661510	0	33	-1.0	-50.50	284.39	3.39	-47.11
O=C(CCCC1=NN=N[N-]1)NC1=C2NC=CC2=CC=C1	REAL250004661510	1	33	-1.0	-50.48	284.45	3.41	-47.07
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1O	REAL250004661511	1	30	-1.0	-46.46	284.94	1.25	-45.21
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1O	REAL250004661511	1	30	-1.0	-46.49	285.00	1.26	-45.23
CC=CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004661512	0	36	-1.0	-46.22	305.62	0.31	-45.91
CC=CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004661512	1	36	-1.0	-46.25	305.68	0.32	-45.93
CC=CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661513	0	36	-1.0	-36.80	316.21	0.10	-36.70
CC=CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661513	1	36	-1.0	-36.76	316.28	0.12	-36.64
CN1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004661514	0	33	-1.0	-58.74	282.36	0.55	-58.19
CN1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004661514	1	33	-1.0	-58.78	282.42	0.57	-58.21
CN1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004661515	0	33	-1.0	-44.77	292.79	0.36	-44.41
CN1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004661515	1	33	-1.0	-44.78	292.86	0.36	-44.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC1CCO	REAL250004661516	0	39	-1.0	-48.03	310.65	0.97	-47.06
O=C(CCCC1=NN=N[N-]1)NC1CCCC1CCO	REAL250004661516	1	39	-1.0	-48.04	310.70	0.98	-47.06
CN(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661517	0	32	-1.0	-40.40	284.64	-0.20	-40.60
CN(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661517	1	32	-1.0	-40.35	284.71	-0.19	-40.54
CC(C)CC1OCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004661518	0	45	-1.0	-47.98	351.74	3.88	-44.10
CC(C)CC1OCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004661518	1	45	-1.0	-47.99	351.79	3.89	-44.10
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1O	REAL250004661519	0	36	-1.0	-49.14	287.67	0.93	-48.21
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1O	REAL250004661519	1	36	-1.0	-49.13	287.73	0.94	-48.19
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1O	REAL250004661520	0	36	-1.0	-36.39	295.32	1.16	-35.23
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1O	REAL250004661520	1	36	-1.0	-36.39	295.39	1.17	-35.22
CC(C1CC1)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661521	0	39	-1.0	-52.35	327.03	4.03	-48.32
CC(C1CC1)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661521	1	39	-1.0	-52.38	326.97	4.02	-48.36
CCOC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661522	0	37	-1.0	-51.47	320.22	1.11	-50.36
CCOC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661522	1	37	-1.0	-51.50	320.28	1.13	-50.37
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CS1	REAL250004661523	0	35	-1.0	-51.99	306.61	3.74	-48.25
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CS1	REAL250004661523	1	35	-1.0	-51.99	306.67	3.76	-48.23
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=CO1	REAL250004661524	0	36	-1.0	-45.81	305.19	-0.31	-46.12
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=CO1	REAL250004661524	1	36	-1.0	-45.87	305.25	-0.30	-46.17
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C(F)F)CC1	REAL250004661525	0	36	-1.0	-48.11	296.75	1.27	-46.84
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C(F)F)CC1	REAL250004661525	1	36	-1.0	-48.10	296.80	1.29	-46.81
COCC1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661526	0	37	-1.0	-46.87	301.44	3.48	-43.39
COCC1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661526	1	37	-1.0	-46.90	301.50	3.50	-43.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2SN=CC2=C1	REAL250004661527	0	31	-1.0	-49.42	284.77	3.55	-45.87
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2SN=CC2=C1	REAL250004661527	1	31	-1.0	-49.37	284.72	3.54	-45.83
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)O1	REAL250004661528	0	34	-1.0	-48.13	302.58	-1.93	-50.06
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)O1	REAL250004661528	1	34	-1.0	-48.15	302.64	-1.92	-50.07
CCC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004661529	0	34	-1.0	-47.31	300.85	2.72	-44.59
CCC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004661529	1	34	-1.0	-47.35	300.91	2.74	-44.61
CN1N=NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661531	0	30	-1.0	-49.63	269.26	-0.51	-50.14
CN1N=NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661531	1	30	-1.0	-49.65	269.32	-0.50	-50.15
CN1N=NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661532	0	30	-1.0	-41.01	278.93	-0.76	-41.77
CN1N=NN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661532	1	30	-1.0	-40.97	279.00	-0.75	-41.72
CCOC(=O)CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661533	0	41	-1.0	-49.44	335.54	5.12	-44.32
CCOC(=O)CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661533	1	41	-1.0	-49.46	335.60	5.13	-44.33
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004661534	0	32	-1.0	-45.38	288.23	3.39	-41.99
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004661534	1	32	-1.0	-45.37	288.28	3.41	-41.96
CC(CCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004661535	0	38	-1.0	-46.90	313.54	4.56	-42.34
CC(CCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004661535	1	38	-1.0	-46.93	313.60	4.57	-42.36
CC(CCC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661536	0	38	-1.0	-35.55	324.13	4.35	-31.20
CC(CCC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661536	1	38	-1.0	-35.56	324.20	4.37	-31.19
CCC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004661537	0	34	-1.0	-47.46	297.98	-0.19	-47.65
CCC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004661537	1	34	-1.0	-47.47	298.04	-0.17	-47.64
CCC1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004661538	0	34	-1.0	-37.68	308.57	-0.40	-38.08
CCC1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004661538	1	34	-1.0	-37.63	308.64	-0.39	-38.02
C=CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661539	0	35	-1.0	-35.09	307.07	3.14	-31.95
C=CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661539	1	35	-1.0	-35.08	307.14	3.15	-31.93
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC[C@@H]1O	REAL250004661540	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC[C@@H]1O	REAL250004661540	1	36	-1.0	-49.81	292.38	-0.11	-49.92
O=C(N[C@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661541	0	36	-1.0	-38.01	302.92	-0.33	-38.34
O=C(N[C@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661541	1	36	-1.0	-38.00	302.98	-0.31	-38.31
COCC(C)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661542	0	39	-1.0	-48.17	328.23	2.54	-45.63
COCC(C)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661542	1	39	-1.0	-48.16	328.17	2.53	-45.63
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661543	0	39	-1.0	-48.40	318.10	2.20	-46.20
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661543	1	39	-1.0	-48.39	318.16	2.22	-46.17
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C(Cl)S1	REAL250004661544	0	28	-1.0	-45.58	280.98	1.25	-44.33
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C(Cl)S1	REAL250004661544	1	28	-1.0	-45.58	280.92	1.23	-44.35
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004661545	1	40	-1.0	-46.44	301.96	2.28	-44.16
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004661545	1	40	-1.0	-46.48	302.01	2.29	-44.19
O=C(CCCC1=N[N-]N=N1)NC(CO)CN1CCOCC1	REAL250004661546	0	42	-1.0	-46.65	337.84	-3.21	-49.86
O=C(CCCC1=NN=N[N-]1)NC(CO)CN1CCOCC1	REAL250004661546	1	42	-1.0	-46.63	337.90	-3.19	-49.82
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004661547	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004661547	1	36	-1.0	-48.42	306.75	4.91	-43.51
CC1(C)C(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004661548	0	41	-1.0	-45.77	321.73	4.30	-41.47
CC1(C)C(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004661548	1	41	-1.0	-45.79	321.79	4.31	-41.48
O=C(CCCC1=N[N-]N=N1)N1CC2COCC(C1)O2	REAL250004661549	0	35	-1.0	-49.22	277.60	2.08	-47.14
O=C(CCCC1=NN=N[N-]1)N1CC2COCC(C1)O2	REAL250004661549	1	35	-1.0	-49.25	277.66	2.09	-47.16
CC1=CC(Cl)=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661550	0	34	-1.0	-48.17	312.43	2.72	-45.45
CC1=CC(Cl)=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661550	1	34	-1.0	-48.19	312.48	2.73	-45.46
COCCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661551	0	39	-1.0	-48.62	337.16	1.20	-47.42
COCCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661551	1	39	-1.0	-48.63	337.10	1.19	-47.44
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004661552	0	34	-1.0	-47.77	291.50	2.92	-44.85
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004661552	1	34	-1.0	-47.75	291.56	2.94	-44.81
COC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661553	0	36	-1.0	-51.32	292.22	2.52	-48.80
COC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661553	1	36	-1.0	-51.31	292.27	2.53	-48.78
COC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661554	0	36	-1.0	-37.78	299.75	2.92	-34.86
COC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661554	1	36	-1.0	-37.77	299.81	2.94	-34.83
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(CO)C1	REAL250004661555	0	33	-1.0	-50.46	281.49	0.22	-50.24
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(CO)C1	REAL250004661555	1	33	-1.0	-50.49	281.55	0.23	-50.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)(CO)C1	REAL250004661556	0	33	-1.0	-41.46	288.45	0.36	-41.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(F)(CO)C1	REAL250004661556	1	33	-1.0	-41.46	288.52	0.36	-41.10
CC1(C)SCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004661557	0	33	-1.0	-47.10	281.53	2.74	-44.36
CC1(C)SCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004661557	1	33	-1.0	-47.11	281.59	2.75	-44.36
CC1(C)SCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661558	0	33	-1.0	-34.42	292.12	2.54	-31.88
CC1(C)SCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661558	1	33	-1.0	-34.37	292.19	2.54	-31.83
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H](OC(F)F)C1	REAL250004661559	0	33	-1.0	-48.78	288.04	2.20	-46.58
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H](OC(F)F)C1	REAL250004661559	1	33	-1.0	-48.87	288.10	2.22	-46.65
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004661560	0	33	-1.0	-50.34	284.09	1.26	-49.08
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004661560	1	33	-1.0	-50.38	284.14	1.28	-49.10
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1O	REAL250004661561	0	33	-1.0	-38.49	294.96	1.04	-37.45
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1O	REAL250004661561	1	33	-1.0	-38.45	295.02	1.06	-37.39
CC1(C#N)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661562	0	30	-1.0	-43.32	275.88	2.86	-40.46
CC1(C#N)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661562	1	30	-1.0	-43.32	275.95	2.87	-40.45
O=C(CCCC1=N[N-]N=N1)N(CC1CC1)C1CCC1	REAL250004661563	0	39	-1.0	-46.67	305.83	5.80	-40.87
O=C(CCCC1=NN=N[N-]1)N(CC1CC1)C1CCC1	REAL250004661563	1	39	-1.0	-46.71	305.89	5.82	-40.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1CC1)C1CCC1	REAL250004661564	0	39	-1.0	-35.38	307.93	6.72	-28.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1CC1)C1CCC1	REAL250004661564	1	39	-1.0	-35.40	307.99	6.72	-28.68
CSCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661566	0	35	-1.0	-49.15	303.50	4.59	-44.56
CSCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661566	1	35	-1.0	-49.17	303.56	4.60	-44.57
CSCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661567	0	35	-1.0	-37.65	311.19	4.98	-32.67
CSCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661567	1	35	-1.0	-37.58	311.26	5.01	-32.57
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2=CC=CC=C2)C1	REAL250004661568	0	42	-1.0	-48.06	344.30	6.03	-42.03
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2=CC=CC=C2)C1	REAL250004661568	1	42	-1.0	-48.08	344.36	6.04	-42.04
CCC1=CC=CC(C)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004661569	0	40	-1.0	-46.68	325.47	5.56	-41.12
CCC1=CC=CC(C)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004661569	1	40	-1.0	-46.67	325.53	5.57	-41.10
COC1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004661570	0	39	-1.0	-48.27	305.22	3.19	-45.08
COC1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004661570	1	39	-1.0	-48.29	305.27	3.20	-45.09
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCOCC2	REAL250004661571	0	43	-1.0	-48.17	326.23	3.35	-44.82
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCOCC2	REAL250004661571	1	43	-1.0	-48.19	326.29	3.36	-44.83
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C2NC=CC2=C1	REAL250004661572	0	39	-1.0	-51.73	331.95	4.29	-47.44
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C2NC=CC2=C1	REAL250004661572	1	39	-1.0	-51.72	332.01	4.30	-47.42
O=C(CCCC1=N[N-]N=N1)N1CCCC(C(F)(F)F)C1	REAL250004661573	0	35	-1.0	-47.72	294.34	4.51	-43.21
O=C(CCCC1=NN=N[N-]1)N1CCCC(C(F)(F)F)C1	REAL250004661573	1	35	-1.0	-47.71	294.40	4.52	-43.19
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004661574	0	39	-1.0	-47.27	306.67	4.28	-42.99
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004661574	1	39	-1.0	-47.27	306.73	4.29	-42.98
O=C(CCCC1=N[N-]N=N1)N1CC[C@H](OC(F)F)C1	REAL250004661575	0	33	-1.0	-48.76	288.05	2.20	-46.56
O=C(CCCC1=NN=N[N-]1)N1CC[C@H](OC(F)F)C1	REAL250004661575	1	33	-1.0	-48.81	288.11	2.22	-46.59
CS(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661576	0	34	-1.0	-51.56	302.36	0.43	-51.13
CS(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661576	1	34	-1.0	-51.55	302.42	0.45	-51.10
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCOC2)O1	REAL250004661577	0	41	-1.0	-47.77	320.26	1.90	-45.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCOC2)O1	REAL250004661577	1	41	-1.0	-47.75	320.32	1.91	-45.84
NC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661578	0	33	-1.0	-54.46	285.05	-0.49	-54.95
NC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661578	1	33	-1.0	-54.48	285.10	-0.48	-54.96
NC(=O)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661579	0	33	-1.0	-46.08	293.00	-0.56	-46.64
NC(=O)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661579	1	33	-1.0	-46.03	293.07	-0.55	-46.58
CCN(CC1CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661580	0	38	-1.0	-46.77	305.91	5.60	-41.17
CCN(CC1CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661580	1	38	-1.0	-46.78	305.97	5.62	-41.16
CCN(CC1CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661581	0	38	-1.0	-35.66	310.43	6.26	-29.40
CCN(CC1CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661581	1	38	-1.0	-35.66	310.50	6.27	-29.39
COCCN1CN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004661582	0	37	-1.0	-48.08	316.44	1.80	-46.28
COCCN1CN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004661582	1	37	-1.0	-48.09	316.50	1.81	-46.28
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004661583	0	45	-1.0	-47.26	347.93	3.27	-43.99
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004661583	1	45	-1.0	-47.29	347.99	3.29	-44.00
COCCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661584	0	43	-1.0	-51.17	344.74	2.83	-48.34
COCCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661584	1	43	-1.0	-51.23	344.80	2.84	-48.39
CC1(C(N)=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661585	0	36	-1.0	-59.27	298.39	0.02	-59.25
CC1(C(N)=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661585	1	36	-1.0	-59.29	298.44	0.03	-59.26
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661586	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661586	1	38	-1.0	-50.65	322.36	3.62	-47.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)N=C1	REAL250004661587	0	32	-1.0	-50.17	291.30	0.80	-49.37
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)N=C1	REAL250004661587	1	32	-1.0	-50.13	291.24	0.79	-49.34
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(F)(F)C1	REAL250004661588	0	38	-1.0	-46.80	312.29	4.00	-42.80
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(F)(F)C1	REAL250004661588	1	38	-1.0	-46.82	312.35	4.01	-42.81
CS(=O)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661589	0	35	-1.0	-61.10	303.73	0.30	-60.80
CS(=O)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661589	1	35	-1.0	-61.06	303.79	0.32	-60.74
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)C=C1C	REAL250004661590	0	39	-1.0	-48.95	320.35	4.26	-44.69
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)C=C1C	REAL250004661590	1	39	-1.0	-48.94	320.41	4.27	-44.67
CC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661591	0	38	-1.0	-46.26	298.70	3.56	-42.70
CC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661591	1	38	-1.0	-46.27	298.75	3.57	-42.70
CC1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661592	0	38	-1.0	-34.70	315.42	3.59	-31.11
CC1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661592	1	38	-1.0	-34.67	315.49	3.60	-31.07
O=C(CCCC1=N[N-]N=N1)NCC1CNC(=O)O1	REAL250004661593	0	31	-1.0	-54.82	272.50	-2.43	-57.25
O=C(CCCC1=NN=N[N-]1)NCC1CNC(=O)O1	REAL250004661593	1	31	-1.0	-54.82	272.56	-2.42	-57.24
O=C(NCC1CNC(=O)O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661594	0	31	-1.0	-45.86	283.08	-2.62	-48.48
O=C(NCC1CNC(=O)O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661594	1	31	-1.0	-45.84	283.15	-2.62	-48.46
CCSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661595	0	35	-1.0	-46.56	306.87	3.35	-43.21
CCSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661595	1	35	-1.0	-46.57	306.93	3.36	-43.21
CCSCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661596	0	35	-1.0	-35.98	317.46	3.14	-32.84
CCSCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661596	1	35	-1.0	-35.88	317.53	3.15	-32.73
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)(F)CC1	REAL250004661597	0	38	-1.0	-48.93	312.29	4.01	-44.92
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)(F)CC1	REAL250004661597	1	38	-1.0	-48.95	312.34	4.02	-44.93
O=C(CCCC1=N[N-]N=N1)NN1CCCC2=CC=CC=C21	REAL250004661598	0	38	-1.0	-50.85	311.58	5.22	-45.63
O=C(CCCC1=NN=N[N-]1)NN1CCCC2=CC=CC=C21	REAL250004661598	1	38	-1.0	-50.88	311.64	5.23	-45.65
C#CCCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661599	0	34	-1.0	-47.88	299.69	0.02	-47.86
C#CCCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661599	1	34	-1.0	-47.93	299.74	0.04	-47.89
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(F)CC1	REAL250004661600	0	32	-1.0	-46.54	268.21	3.72	-42.82
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(F)CC1	REAL250004661600	1	32	-1.0	-46.55	268.27	3.74	-42.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)(F)CC1	REAL250004661601	0	32	-1.0	-34.41	275.89	3.98	-30.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(F)(F)CC1	REAL250004661601	1	32	-1.0	-34.37	275.96	3.98	-30.39
CO[C@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004661602	0	39	-1.0	-48.69	313.69	2.22	-46.47
CO[C@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004661602	1	39	-1.0	-48.67	313.75	2.24	-46.43
CCOC(=O)C1(F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661603	0	35	-1.0	-49.00	310.21	3.69	-45.31
CCOC(=O)C1(F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661603	1	35	-1.0	-48.99	310.26	3.70	-45.29
N#CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661604	0	39	-1.0	-50.18	321.33	4.17	-46.01
N#CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661604	1	39	-1.0	-50.24	321.39	4.19	-46.05
CC1CCNC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661605	0	36	-1.0	-58.24	293.18	0.18	-58.06
CC1CCNC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661605	1	36	-1.0	-58.26	293.24	0.19	-58.07
CCC(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661606	0	39	-1.0	-49.53	324.47	3.19	-46.34
CCC(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661606	1	39	-1.0	-49.60	324.52	3.20	-46.40
N#CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661607	0	36	-1.0	-51.55	321.45	4.63	-46.92
N#CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661607	1	36	-1.0	-51.55	321.50	4.65	-46.90
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004661608	0	42	-1.0	-46.82	327.85	2.88	-43.94
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004661608	1	42	-1.0	-46.83	327.90	2.89	-43.94
O=C(CCCC1=N[N-]N=N1)NCCCOC(F)F	REAL250004661609	0	32	-1.0	-48.99	285.94	0.65	-48.34
O=C(CCCC1=NN=N[N-]1)NCCCOC(F)F	REAL250004661609	1	32	-1.0	-48.99	286.00	0.66	-48.33
O=C(NCCCOC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661610	0	32	-1.0	-37.34	296.54	0.44	-36.90
O=C(NCCCOC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661610	1	32	-1.0	-37.30	296.60	0.45	-36.85
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NCCF	REAL250004661611	0	35	-1.0	-48.79	304.29	-0.06	-48.85
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NCCF	REAL250004661611	1	35	-1.0	-48.83	304.35	-0.04	-48.87
CC1=NN(C)C(NCCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661612	0	40	-1.0	-50.98	338.83	1.74	-49.24
CC1=NN(C)C(NCCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661612	1	40	-1.0	-50.97	338.89	1.75	-49.22
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL250004661613	0	37	-1.0	-48.21	318.52	-0.04	-48.25
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL250004661613	1	37	-1.0	-48.21	318.57	-0.02	-48.23
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CN=C2C1	REAL250004661614	0	32	-1.0	-47.86	276.67	3.21	-44.65
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CN=C2C1	REAL250004661614	1	32	-1.0	-47.85	276.73	3.23	-44.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CC=CN=C2C1	REAL250004661615	0	32	-1.0	-39.03	283.75	3.34	-35.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=CN=C2C1	REAL250004661615	1	32	-1.0	-38.96	283.81	3.34	-35.62
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1Cl	REAL250004661616	0	26	-1.0	-44.17	249.08	0.21	-43.96
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1Cl	REAL250004661616	1	26	-1.0	-44.19	249.14	0.22	-43.97
O=C(NC1=CNN=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661617	0	26	-1.0	-35.24	259.64	0.01	-35.23
O=C(NC1=CNN=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661617	1	26	-1.0	-35.18	259.71	0.02	-35.16
O=C(CCCC1=N[N-]N=N1)NCCC1=C2C=CNC2=CC=C1	REAL250004661618	0	39	-1.0	-51.33	331.69	4.27	-47.06
O=C(CCCC1=NN=N[N-]1)NCCC1=C2C=CNC2=CC=C1	REAL250004661618	1	39	-1.0	-51.32	331.75	4.29	-47.03
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL250004661619	0	32	-1.0	-46.15	287.23	3.27	-42.88
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL250004661619	1	32	-1.0	-46.20	287.29	3.28	-42.92
COCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661620	0	32	-1.0	-35.93	282.31	0.28	-35.65
COCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661620	1	32	-1.0	-35.93	282.38	0.29	-35.64
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCOCC2)C1	REAL250004661621	0	40	-1.0	-49.05	321.49	3.48	-45.57
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCOCC2)C1	REAL250004661621	1	40	-1.0	-49.08	321.55	3.49	-45.59
COCCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004661622	0	36	-1.0	-46.35	304.31	-1.95	-48.30
COCCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004661622	1	36	-1.0	-46.35	304.37	-1.94	-48.29
COCCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661623	0	36	-1.0	-37.17	314.90	-2.16	-39.33
COCCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661623	1	36	-1.0	-37.13	314.97	-2.14	-39.27
CC(C)(C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661624	0	44	-1.0	-47.20	325.71	5.58	-41.62
CC(C)(C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661624	1	44	-1.0	-47.19	325.76	5.59	-41.60
CC(C1CCCCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661625	0	44	-1.0	-47.88	331.42	6.69	-41.19
CC(C1CCCCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661625	1	44	-1.0	-47.84	331.48	6.71	-41.13
O=C(CCCC1=N[N-]N=N1)N1CC2CC3CC2C1C3O	REAL250004661626	0	38	-1.0	-52.11	298.96	1.95	-50.16
O=C(CCCC1=NN=N[N-]1)N1CC2CC3CC2C1C3O	REAL250004661626	1	38	-1.0	-52.15	299.01	1.95	-50.20
O=C(CCCC1=N[N-]N=N1)NC1CC(C2=CC=CC=C2)C1	REAL250004661627	0	39	-1.0	-47.47	322.88	5.43	-42.04
O=C(CCCC1=NN=N[N-]1)NC1CC(C2=CC=CC=C2)C1	REAL250004661627	1	39	-1.0	-47.47	322.93	5.44	-42.03
CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661628	0	40	-1.0	-46.38	317.40	3.69	-42.69
CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661628	1	40	-1.0	-46.39	317.46	3.71	-42.68
CC(C)(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661629	0	40	-1.0	-34.76	328.00	3.49	-31.27
CC(C)(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661629	1	40	-1.0	-34.71	328.06	3.50	-31.21
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCNC1=O	REAL250004661630	0	36	-1.0	-54.28	293.69	0.91	-53.37
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCNC1=O	REAL250004661630	1	36	-1.0	-54.25	293.75	0.93	-53.32
CC(C)(C)CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004661631	0	44	-1.0	-45.98	347.37	1.46	-44.52
CC(C)(C)CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004661631	1	44	-1.0	-45.97	347.42	1.47	-44.50
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(F)=CC=C21	REAL250004661632	0	33	-1.0	-45.33	279.96	5.38	-39.95
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(F)=CC=C21	REAL250004661632	1	33	-1.0	-45.35	280.01	5.39	-39.96
CC(C)(C)N1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661633	0	40	-1.0	-46.66	326.02	3.80	-42.86
CC(C)(C)N1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661633	1	40	-1.0	-46.67	326.07	3.82	-42.85
O=C(NC1CCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661634	0	33	-1.0	-35.08	280.32	3.21	-31.87
O=C(NC1CCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661634	1	33	-1.0	-35.06	280.39	3.21	-31.85
COC[C@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661635	0	33	-1.0	-38.02	295.86	-3.01	-41.03
COC[C@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661635	1	33	-1.0	-38.04	295.92	-2.99	-41.03
CC(C)C1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661636	0	36	-1.0	-49.74	306.07	2.55	-47.19
CC(C)C1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661636	1	36	-1.0	-49.73	306.13	2.56	-47.17
CCC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661637	0	35	-1.0	-48.01	297.44	2.46	-45.55
CCC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661637	1	35	-1.0	-48.06	297.50	2.47	-45.59
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661638	0	35	-1.0	-36.95	308.01	2.25	-34.70
CCC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661638	1	35	-1.0	-36.89	308.07	2.26	-34.63
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CCOC1	REAL250004661639	0	40	-1.0	-48.84	319.48	-0.89	-49.73
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CCOC1	REAL250004661639	1	40	-1.0	-48.83	319.53	-0.87	-49.70
C=CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004661640	0	39	-1.0	-51.40	341.28	2.20	-49.20
C=CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004661640	1	39	-1.0	-51.44	341.34	2.22	-49.22
CCC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661641	0	37	-1.0	-47.84	317.03	3.05	-44.79
CCC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661641	1	37	-1.0	-47.83	317.08	3.07	-44.76
CC1=CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661642	0	33	-1.0	-34.92	277.54	4.44	-30.48
CC1=CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661642	1	33	-1.0	-34.88	277.61	4.48	-30.40
COC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661643	0	40	-1.0	-49.17	329.31	1.82	-47.35
COC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661643	1	40	-1.0	-49.17	329.37	1.83	-47.34
CN(CC1=NNC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004661644	0	31	-1.0	-52.97	271.79	2.71	-50.26
CN(CC1=NNC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004661644	1	31	-1.0	-52.94	271.84	2.72	-50.22
CN(CC1=NN=CN1)C(=O)CCCC1=N[N-]N=N1	REAL250004661644	1	31	-1.0	-61.37	271.20	3.10	-58.27
CN(CC1=NNC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661645	0	31	-1.0	-41.83	279.48	3.11	-38.72
CN(CC1=NNC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661645	1	31	-1.0	-41.81	279.55	3.11	-38.70
CN(CC1=NN=CN1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661645	1	31	-1.0	-47.15	278.88	3.49	-43.66
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004661646	0	39	-1.0	-47.00	320.43	1.95	-45.05
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004661646	1	39	-1.0	-47.01	320.49	1.97	-45.04
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CC2)C1	REAL250004661647	0	37	-1.0	-48.46	302.00	1.80	-46.66
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CC2)C1	REAL250004661647	1	37	-1.0	-48.46	302.06	1.82	-46.64
CC1=CC=C([C@@H](O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004661648	0	39	-1.0	-47.74	329.46	1.85	-45.89
CC1=CC=C([C@@H](O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004661648	1	39	-1.0	-47.74	329.52	1.86	-45.88
CC1=CC=C([C@H](O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004661649	0	39	-1.0	-47.83	329.94	1.75	-46.08
CC1=CC=C([C@H](O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004661649	1	39	-1.0	-47.82	330.00	1.77	-46.05
O=C(NCC1=CC=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661650	0	30	-1.0	-41.00	279.54	0.35	-40.65
O=C(NCC1=CC=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661650	1	30	-1.0	-40.98	279.61	0.36	-40.62
C=CCN1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004661651	0	40	-1.0	-55.72	329.35	3.99	-51.73
C=CCN1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004661651	1	40	-1.0	-55.72	329.40	4.00	-51.72
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL250004661652	0	38	-1.0	-54.37	306.56	0.89	-53.48
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL250004661652	1	38	-1.0	-54.39	306.62	0.90	-53.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004661653	0	36	-1.0	-48.29	294.64	1.39	-46.90
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004661653	1	36	-1.0	-48.34	294.70	1.40	-46.94
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004661654	0	36	-1.0	-36.10	298.01	0.99	-35.11
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004661654	1	36	-1.0	-36.09	298.08	1.01	-35.08
CC[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661655	0	32	-1.0	-34.94	282.66	2.58	-32.36
CC[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661655	1	32	-1.0	-34.95	282.73	2.58	-32.37
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661656	0	36	-1.0	-45.33	304.75	3.58	-41.75
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661656	1	36	-1.0	-45.31	304.80	3.59	-41.72
CCOC1CC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661658	0	40	-1.0	-48.48	331.76	-0.59	-49.07
CCOC1CC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661658	1	40	-1.0	-48.52	331.82	-0.57	-49.09
CN(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004661659	0	34	-1.0	-48.86	291.05	4.41	-44.45
CN(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004661659	1	34	-1.0	-48.84	291.11	4.42	-44.42
CN(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL250004661660	0	34	-1.0	-37.10	301.65	4.19	-32.91
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL250004661660	1	34	-1.0	-37.05	301.71	4.19	-32.86
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004661661	0	40	-1.0	-50.88	326.61	5.00	-45.88
CN(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004661661	1	40	-1.0	-50.92	326.67	5.02	-45.90
CN(CCCCCO)C(=O)CCCC1=N[N-]N=N1	REAL250004661662	0	38	-1.0	-50.19	313.18	1.57	-48.62
CN(CCCCCO)C(=O)CCCC1=NN=N[N-]1	REAL250004661662	1	38	-1.0	-50.22	313.24	1.58	-48.64
CN(CCCCCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661663	0	38	-1.0	-38.45	320.87	1.96	-36.49
CN(CCCCCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661663	1	38	-1.0	-38.40	320.94	1.99	-36.41
COCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661664	0	36	-1.0	-47.50	300.67	2.52	-44.98
COCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661664	1	36	-1.0	-47.49	300.72	2.54	-44.95
COCC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661665	0	36	-1.0	-38.09	308.38	2.42	-35.67
COCC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661665	1	36	-1.0	-38.07	308.45	2.44	-35.63
C[C@@H]1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661666	0	33	-1.0	-34.81	270.37	2.13	-32.68
C[C@@H]1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661666	1	33	-1.0	-34.79	270.44	2.14	-32.65
O=C(CCCC1=N[N-]N=N1)NCCC(O)C(F)(F)F	REAL250004661667	0	32	-1.0	-48.87	289.90	-0.86	-49.73
O=C(CCCC1=NN=N[N-]1)NCCC(O)C(F)(F)F	REAL250004661667	1	32	-1.0	-48.90	289.96	-0.84	-49.74
O=C(NCC1(F)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661668	0	32	-1.0	-36.10	283.94	2.39	-33.71
O=C(NCC1(F)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661668	1	32	-1.0	-36.07	284.00	2.41	-33.66
CC(C)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661669	0	35	-1.0	-49.04	295.28	3.46	-45.58
CC(C)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661669	1	35	-1.0	-49.01	295.23	3.45	-45.56
CC(C)N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004661670	0	35	-1.0	-39.04	305.89	3.28	-35.76
CC(C)N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004661670	1	35	-1.0	-39.04	305.82	3.27	-35.77
CC1OCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661671	0	37	-1.0	-48.72	302.41	-1.43	-50.15
CC1OCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661671	1	37	-1.0	-48.75	302.47	-1.42	-50.17
CCCC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004661672	0	43	-1.0	-51.69	353.20	4.45	-47.24
CCCC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004661672	1	43	-1.0	-51.73	353.25	4.46	-47.27
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N(CC2CC2)C1	REAL250004661673	0	37	-1.0	-47.06	315.81	4.23	-42.83
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N(CC2CC2)C1	REAL250004661673	1	37	-1.0	-47.10	315.86	4.24	-42.86
O=C(CCCC1=N[N-]N=N1)NC1CC2=CC=CC=C21	REAL250004661674	0	33	-1.0	-48.95	284.66	4.11	-44.84
O=C(CCCC1=NN=N[N-]1)NC1CC2=CC=CC=C21	REAL250004661674	1	33	-1.0	-48.98	284.72	4.12	-44.86
O=C(NC1CC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661675	0	33	-1.0	-37.15	295.49	3.96	-33.19
O=C(NC1CC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661675	1	33	-1.0	-37.11	295.56	3.96	-33.15
CN1CC2CN(C(=O)CCCC3=N[N-]N=N3)CCN2C1=O	REAL250004661676	0	39	-1.0	-51.61	314.17	2.81	-48.80
CN1CC2CN(C(=O)CCCC3=NN=N[N-]3)CCN2C1=O	REAL250004661676	1	39	-1.0	-51.60	314.23	2.82	-48.78
C=CCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661677	0	35	-1.0	-35.58	298.14	3.10	-32.48
C=CCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661677	1	35	-1.0	-35.58	298.20	3.11	-32.47
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1CCCC1	REAL250004661678	0	45	-1.0	-47.43	349.93	2.47	-44.96
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1CCCC1	REAL250004661678	1	45	-1.0	-47.42	349.98	2.49	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1(F)CCCCC1	REAL250004661679	0	38	-1.0	-45.77	304.91	3.93	-41.84
O=C(CCCC1=NN=N[N-]1)NCC1(F)CCCCC1	REAL250004661679	1	38	-1.0	-45.74	304.97	3.95	-41.79
CC(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661680	0	35	-1.0	-36.71	304.57	-0.70	-37.41
CC(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661680	1	35	-1.0	-36.70	304.64	-0.69	-37.39
CC(CCNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004661681	0	41	-1.0	-47.14	336.36	5.38	-41.76
CC(CCNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004661681	1	41	-1.0	-47.16	336.42	5.39	-41.77
COC1=CC=CC=C1CONC(=O)CCCC1=N[N-]N=N1	REAL250004661682	0	37	-1.0	-52.09	319.13	3.93	-48.16
COC1=CC=CC=C1CONC(=O)CCCC1=NN=N[N-]1	REAL250004661682	1	37	-1.0	-52.08	319.19	3.95	-48.13
CS(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661683	0	37	-1.0	-51.61	316.12	1.04	-50.57
CS(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661683	1	37	-1.0	-51.62	316.17	1.06	-50.56
CC1=NN2C=C(NC(=O)CCCC3=N[N-]N=N3)C=CC2=N1	REAL250004661684	0	34	-1.0	-51.28	300.23	3.67	-47.61
CC1=NN2C=C(NC(=O)CCCC3=NN=N[N-]3)C=CC2=N1	REAL250004661684	1	34	-1.0	-51.29	300.29	3.68	-47.61
O=C(CCCC1=N[N-]N=N1)N1CC(OC(F)F)C1	REAL250004661685	0	30	-1.0	-48.46	272.56	1.41	-47.05
O=C(CCCC1=NN=N[N-]1)N1CC(OC(F)F)C1	REAL250004661685	1	30	-1.0	-48.53	272.62	1.42	-47.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(OC(F)F)C1	REAL250004661686	0	30	-1.0	-37.95	280.55	1.32	-36.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(OC(F)F)C1	REAL250004661686	1	30	-1.0	-37.94	280.62	1.34	-36.60
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NC=CN2)CC1	REAL250004661687	0	38	-1.0	-52.47	309.70	3.47	-49.00
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NC=CN2)CC1	REAL250004661687	1	38	-1.0	-52.47	309.76	3.48	-48.99
CNC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004661688	0	38	-1.0	-46.21	308.87	0.35	-45.86
CNC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004661688	1	38	-1.0	-46.24	308.92	0.37	-45.87
C[C@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004661689	0	44	-1.0	-46.96	340.76	5.43	-41.53
C[C@H](CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004661689	1	44	-1.0	-46.99	340.81	5.44	-41.55
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC2(CCC2)C1	REAL250004661690	0	43	-1.0	-49.67	341.56	1.59	-48.08
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC2(CCC2)C1	REAL250004661690	1	43	-1.0	-49.68	341.62	1.60	-48.08
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCCCC1	REAL250004661691	0	42	-1.0	-46.68	332.76	5.20	-41.48
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCCCC1	REAL250004661691	1	42	-1.0	-46.68	332.82	5.21	-41.47
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2CCC2)=CS1	REAL250004661692	0	35	-1.0	-45.12	303.89	4.06	-41.06
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2CCC2)=CS1	REAL250004661692	1	35	-1.0	-45.16	303.95	4.08	-41.08
CC1C(C)S(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661693	0	37	-1.0	-56.31	293.91	2.32	-53.99
CC1C(C)S(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661693	1	37	-1.0	-56.33	293.96	2.33	-54.00
COC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661694	0	34	-1.0	-48.04	285.79	3.22	-44.82
COC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661694	1	34	-1.0	-48.03	285.84	3.23	-44.80
COC(=O)C(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661695	0	34	-1.0	-37.78	294.93	3.68	-34.10
COC(=O)C(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661695	1	34	-1.0	-37.77	294.99	3.69	-34.08
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661696	0	33	-1.0	-45.35	291.73	3.21	-42.14
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661696	1	33	-1.0	-45.35	291.79	3.22	-42.13
CSC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004661697	0	33	-1.0	-35.85	304.19	2.80	-33.05
CSC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004661697	1	33	-1.0	-35.82	304.25	2.81	-33.01
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(F)C=C1	REAL250004661698	0	36	-1.0	-48.88	313.10	4.96	-43.92
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(F)C=C1	REAL250004661698	1	36	-1.0	-48.87	313.16	4.98	-43.89
CC1=CC=C(F)C(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661699	0	38	-1.0	-46.10	318.22	6.11	-39.99
CC1=CC=C(F)C(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661699	1	38	-1.0	-46.15	318.28	6.12	-40.03
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004661700	0	36	-1.0	-48.78	307.61	1.45	-47.33
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004661700	1	36	-1.0	-48.80	307.66	1.46	-47.34
CCOC1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004661701	0	43	-1.0	-47.24	327.86	5.47	-41.77
CCOC1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004661701	1	43	-1.0	-47.28	327.92	5.49	-41.79
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661702	0	33	-1.0	-35.13	293.44	3.37	-31.76
O=C(N[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661702	1	33	-1.0	-35.10	293.51	3.38	-31.72
CNC(=O)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661703	0	39	-1.0	-59.56	320.32	1.56	-58.00
CNC(=O)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661703	1	39	-1.0	-59.51	320.38	1.57	-57.94
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCC2)C=C1	REAL250004661704	0	39	-1.0	-48.01	318.73	5.95	-42.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCC2)C=C1	REAL250004661704	1	39	-1.0	-48.00	318.79	5.96	-42.04
COCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004661705	0	36	-1.0	-49.14	308.33	3.08	-46.06
COCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004661705	1	36	-1.0	-49.12	308.39	3.10	-46.02
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)C=C1O	REAL250004661706	0	36	-1.0	-49.57	301.87	2.09	-47.48
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)C=C1O	REAL250004661706	1	36	-1.0	-49.57	301.93	2.12	-47.45
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004661707	0	40	-1.0	-47.13	327.84	0.88	-46.25
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004661707	1	40	-1.0	-47.18	327.90	0.90	-46.28
O=C(CCCC1=N[N-]N=N1)N1CCCC2=NNC=C21	REAL250004661709	0	33	-1.0	-49.35	273.24	2.45	-46.90
O=C(CCCC1=NN=N[N-]1)N1CCCC2=NNC=C21	REAL250004661709	1	33	-1.0	-49.36	273.30	2.47	-46.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2=NNC=C21	REAL250004661710	0	33	-1.0	-36.62	280.20	2.71	-33.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2=NNC=C21	REAL250004661710	1	33	-1.0	-36.60	280.27	2.72	-33.88
O=C(CCCC1=N[N-]N=N1)NC1C2=CC=CC=C2CC1O	REAL250004661711	0	37	-1.0	-53.83	313.21	1.33	-52.50
O=C(CCCC1=NN=N[N-]1)NC1C2=CC=CC=C2CC1O	REAL250004661711	1	37	-1.0	-53.83	313.27	1.35	-52.48
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)C1=CC=C(F)C=C1	REAL250004661712	0	36	-1.0	-48.39	314.44	1.24	-47.15
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)C1=CC=C(F)C=C1	REAL250004661712	1	36	-1.0	-48.36	314.50	1.26	-47.10
C=CCC1N(C(=O)CCCC2=N[N-]N=N2)CCCC1(C)C	REAL250004661713	0	45	-1.0	-44.36	321.32	6.32	-38.04
C=CCC1N(C(=O)CCCC2=NN=N[N-]2)CCCC1(C)C	REAL250004661713	1	45	-1.0	-44.36	321.38	6.33	-38.03
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1C	REAL250004661714	0	44	-1.0	-46.06	328.32	4.58	-41.48
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1C	REAL250004661714	1	44	-1.0	-46.08	328.38	4.59	-41.49
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC(F)F	REAL250004661715	0	32	-1.0	-48.40	290.90	-0.72	-49.12
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC(F)F	REAL250004661715	1	32	-1.0	-48.45	290.96	-0.70	-49.15
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004661717	0	35	-1.0	-48.31	303.64	0.90	-47.41
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004661717	1	35	-1.0	-48.32	303.70	0.91	-47.41
C#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004661718	0	33	-1.0	-35.98	291.39	2.82	-33.16
C#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004661718	1	33	-1.0	-35.98	291.46	2.83	-33.15
O=C(CCCC1=N[N-]N=N1)NC1CC1C1=CC=CC=C1	REAL250004661719	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)NC1CC1C1=CC=CC=C1	REAL250004661719	1	36	-1.0	-48.43	306.74	4.91	-43.52
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004661720	0	39	-1.0	-47.43	322.82	5.43	-42.00
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004661720	1	39	-1.0	-47.46	322.88	5.44	-42.02
C=C(C)C1OCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661721	0	40	-1.0	-48.69	320.33	2.44	-46.25
C=C(C)C1OCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661721	1	40	-1.0	-48.72	320.38	2.45	-46.27
O=C(NCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661722	0	32	-1.0	-37.24	284.18	-1.54	-38.78
O=C(NCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661722	1	32	-1.0	-37.26	284.25	-1.53	-38.79
CNC(=O)C1=C(C)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661723	0	36	-1.0	-55.87	317.23	-0.26	-56.13
CNC(=O)C1=C(C)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661723	1	36	-1.0	-55.82	317.29	-0.25	-56.07
CC1(C2=CC=CC=C2)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661724	0	42	-1.0	-47.35	339.23	5.71	-41.64
CC1(C2=CC=CC=C2)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661724	1	42	-1.0	-47.37	339.29	5.73	-41.64
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)(F)C1	REAL250004661725	0	35	-1.0	-47.89	297.74	3.32	-44.57
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)(F)C1	REAL250004661725	1	35	-1.0	-47.90	297.79	3.33	-44.57
C=CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661726	0	36	-1.0	-34.60	293.44	4.93	-29.67
C=CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661726	1	36	-1.0	-34.53	293.50	4.96	-29.57
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C1=CC=C(F)C=C1	REAL250004661727	0	36	-1.0	-48.44	314.95	1.14	-47.30
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C1=CC=C(F)C=C1	REAL250004661727	1	36	-1.0	-48.48	315.01	1.16	-47.32
N#CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004661728	0	33	-1.0	-41.00	301.97	2.80	-38.20
N#CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004661728	1	33	-1.0	-40.98	302.04	2.81	-38.17
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004661729	0	39	-1.0	-48.26	305.62	5.24	-43.02
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004661729	1	39	-1.0	-48.31	305.68	5.25	-43.06
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2=CC=CC=C21	REAL250004661730	0	37	-1.0	-48.63	301.13	2.69	-45.94
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2=CC=CC=C21	REAL250004661730	1	37	-1.0	-48.63	301.18	2.71	-45.92
CC(C)C1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004661731	0	38	-1.0	-47.13	321.08	2.52	-44.61
CC(C)C1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004661731	1	38	-1.0	-47.18	321.14	2.54	-44.64
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCOCC1	REAL250004661733	0	40	-1.0	-47.47	320.23	-1.00	-48.47
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCOCC1	REAL250004661733	1	40	-1.0	-47.48	320.29	-0.99	-48.47
O=C(CCCC1=N[N-]N=N1)NCCCC1=NN=CN1	REAL250004661734	0	34	-1.0	-54.25	296.08	2.43	-51.82
O=C(CCCC1=NN=N[N-]1)NCCCC1=NN=CN1	REAL250004661734	1	34	-1.0	-54.25	296.13	2.45	-51.80
O=C(NCCCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661735	0	34	-1.0	-44.94	306.67	2.25	-42.69
O=C(NCCCC1=NN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661735	1	34	-1.0	-44.90	306.74	2.24	-42.66
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]1C1=CC=CN=C1	REAL250004661736	0	35	-1.0	-50.76	301.63	3.12	-47.64
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]1C1=CC=CN=C1	REAL250004661736	1	35	-1.0	-50.82	301.57	3.10	-47.72
CC1=NC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661737	0	31	-1.0	-46.78	282.79	2.83	-43.95
CC1=NC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661737	1	31	-1.0	-46.82	282.84	2.85	-43.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCC2)C1	REAL250004661738	0	36	-1.0	-36.17	297.83	4.81	-31.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCC2)C1	REAL250004661738	1	36	-1.0	-36.16	297.90	4.82	-31.34
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC2=C1	REAL250004661739	0	33	-1.0	-51.40	284.66	3.38	-48.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC2=C1	REAL250004661739	1	33	-1.0	-51.42	284.72	3.40	-48.02
CCN1C=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004661740	0	38	-1.0	-58.37	324.76	3.21	-55.16
CCN1C=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004661740	1	38	-1.0	-58.34	324.82	3.22	-55.12
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC(F)=C1	REAL250004661741	0	36	-1.0	-48.79	313.10	4.96	-43.83
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC(F)=C1	REAL250004661741	1	36	-1.0	-48.79	313.16	4.98	-43.81
COCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004661742	0	37	-1.0	-49.95	314.64	2.79	-47.16
COCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004661742	1	37	-1.0	-49.95	314.70	2.81	-47.14
COC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661743	0	33	-1.0	-46.70	288.20	-0.95	-47.65
COC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661743	1	33	-1.0	-46.63	288.14	-0.96	-47.59
O=C(CCCC1=N[N-]N=N1)NCC1CCCOC1	REAL250004661744	0	36	-1.0	-46.57	292.19	1.48	-45.09
O=C(CCCC1=NN=N[N-]1)NCC1CCCOC1	REAL250004661744	1	36	-1.0	-46.59	292.25	1.50	-45.09
O=C(NCC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661745	0	36	-1.0	-36.09	302.78	1.27	-34.82
O=C(NCC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661745	1	36	-1.0	-36.01	302.84	1.28	-34.73
CCNC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661746	0	42	-1.0	-47.05	346.21	1.35	-45.70
CCNC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661746	1	42	-1.0	-47.08	346.26	1.36	-45.72
O=C(NCCN1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661748	0	38	-1.0	-35.11	313.97	0.66	-34.45
O=C(NCCN1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661748	1	38	-1.0	-35.09	314.03	0.66	-34.43
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCOCC2)C1	REAL250004661749	0	43	-1.0	-48.23	319.50	4.19	-44.04
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCOCC2)C1	REAL250004661749	1	43	-1.0	-48.24	319.56	4.20	-44.04
CCN(C)C(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004661750	0	38	-1.0	-47.28	312.02	1.65	-45.63
CCN(C)C(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004661750	1	38	-1.0	-47.32	312.07	1.66	-45.66
CC1=CC=NC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661751	0	37	-1.0	-52.66	301.19	4.05	-48.61
CC1=CC=NC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661751	1	37	-1.0	-52.69	301.25	4.06	-48.63
CC(CN1CCOCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661752	0	44	-1.0	-48.73	342.59	1.95	-46.78
CC(CN1CCOCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661752	1	44	-1.0	-48.75	342.65	1.97	-46.78
O=C(CCCC1=N[N-]N=N1)N1CCCC1CC(F)(F)F	REAL250004661753	0	35	-1.0	-47.12	296.10	4.57	-42.55
O=C(CCCC1=NN=N[N-]1)N1CCCC1CC(F)(F)F	REAL250004661753	1	35	-1.0	-47.14	296.16	4.59	-42.55
C=CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004661754	0	36	-1.0	-45.27	302.59	3.28	-41.99
C=CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004661754	1	36	-1.0	-45.30	302.65	3.29	-42.01
C=CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661755	0	36	-1.0	-36.10	308.83	3.88	-32.22
C=CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661755	1	36	-1.0	-36.03	308.89	3.89	-32.14
COC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004661756	0	35	-1.0	-48.33	316.70	2.41	-45.92
COC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004661756	1	35	-1.0	-48.36	316.76	2.43	-45.93
CCC1(CC)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661757	0	47	-1.0	-47.01	344.19	5.01	-42.00
CCC1(CC)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661757	1	47	-1.0	-46.99	344.24	5.03	-41.96
CC1=CC=CC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661758	0	35	-1.0	-49.87	310.71	1.12	-48.75
CC1=CC=CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661758	1	35	-1.0	-49.94	310.77	1.13	-48.81
COCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661759	0	33	-1.0	-37.52	290.88	-1.61	-39.13
COCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661759	1	33	-1.0	-37.49	290.94	-1.59	-39.08
CCN1N=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661760	0	34	-1.0	-47.23	296.18	2.56	-44.67
CCN1N=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661760	1	34	-1.0	-47.23	296.24	2.57	-44.66
CCN1N=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661761	0	34	-1.0	-38.27	306.76	2.35	-35.92
CCN1N=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661761	1	34	-1.0	-38.29	306.83	2.35	-35.94
CC1=CSC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661762	0	32	-1.0	-45.34	287.97	3.09	-42.25
CC1=CSC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661762	1	32	-1.0	-45.33	288.02	3.10	-42.23
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661763	0	32	-1.0	-37.01	276.29	3.31	-33.70
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661763	1	32	-1.0	-36.97	276.35	3.34	-33.63
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C2COCCN12	REAL250004661764	0	36	-1.0	-51.39	308.12	1.11	-50.28
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C2COCCN12	REAL250004661764	1	36	-1.0	-51.37	308.18	1.12	-50.25
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(F)C=C21	REAL250004661765	0	33	-1.0	-46.33	279.94	5.38	-40.95
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(F)C=C21	REAL250004661765	1	33	-1.0	-46.32	279.99	5.39	-40.93
COCCN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)C1	REAL250004661766	0	45	-1.0	-48.83	343.86	5.30	-43.53
COCCN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)C1	REAL250004661766	1	45	-1.0	-48.86	343.92	5.32	-43.54
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)C1	REAL250004661767	0	39	-1.0	-47.36	300.97	5.24	-42.12
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)C1	REAL250004661767	1	39	-1.0	-47.40	301.03	5.26	-42.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CCC2)C1	REAL250004661768	0	39	-1.0	-35.72	310.42	5.51	-30.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CCC2)C1	REAL250004661768	1	39	-1.0	-35.72	310.49	5.52	-30.20
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C2CC2)O1	REAL250004661769	0	40	-1.0	-46.63	315.16	4.60	-42.03
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C2CC2)O1	REAL250004661769	1	40	-1.0	-46.66	315.22	4.61	-42.05
CC(C)CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661770	0	39	-1.0	-49.55	325.49	3.32	-46.23
CC(C)CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661770	1	39	-1.0	-49.54	325.55	3.34	-46.20
CN1N=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661771	0	30	-1.0	-49.27	270.68	-0.79	-50.06
CN1N=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661771	1	30	-1.0	-49.27	270.74	-0.78	-50.05
CN1N=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004661772	0	30	-1.0	-39.54	281.28	-1.00	-40.54
CN1N=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004661772	1	30	-1.0	-39.52	281.35	-1.00	-40.52
O=C(CCCC1=N[N-]N=N1)NCC1(N2CCOCC2)CC1	REAL250004661773	0	42	-1.0	-48.27	335.01	0.60	-47.67
O=C(CCCC1=NN=N[N-]1)NCC1(N2CCOCC2)CC1	REAL250004661773	1	42	-1.0	-48.25	335.07	0.62	-47.63
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N(C2CC2)C1	REAL250004661774	0	34	-1.0	-46.96	289.00	3.28	-43.68
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N(C2CC2)C1	REAL250004661774	1	34	-1.0	-46.95	289.06	3.30	-43.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(=O)N(C2CC2)C1	REAL250004661775	0	34	-1.0	-37.94	296.20	3.39	-34.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(=O)N(C2CC2)C1	REAL250004661775	1	34	-1.0	-37.87	296.26	3.39	-34.48
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CC1	REAL250004661776	0	36	-1.0	-46.02	302.76	0.42	-45.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CC1	REAL250004661776	1	36	-1.0	-46.06	302.82	0.44	-45.62
O=C(NC(CO)CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661777	0	36	-1.0	-36.62	312.84	0.35	-36.27
O=C(NC(CO)CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661777	1	36	-1.0	-36.63	312.91	0.36	-36.27
N#CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004661778	0	37	-1.0	-49.93	322.87	5.11	-44.82
N#CC1=CC=C2C(=C1)CCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004661778	1	37	-1.0	-49.93	322.92	5.13	-44.80
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004661779	0	42	-1.0	-45.93	326.75	6.90	-39.03
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004661779	1	42	-1.0	-45.92	326.81	6.91	-39.01
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCOC1	REAL250004661780	0	34	-1.0	-46.70	290.46	-0.78	-47.48
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCOC1	REAL250004661780	1	34	-1.0	-46.68	290.52	-0.77	-47.45
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1OC	REAL250004661781	0	37	-1.0	-51.85	308.29	1.63	-50.22
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1OC	REAL250004661781	1	37	-1.0	-51.88	308.34	1.64	-50.24
CC(C)OC(=O)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004661782	0	43	-1.0	-48.54	357.99	4.64	-43.90
CC(C)OC(=O)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004661782	1	43	-1.0	-48.56	358.05	4.66	-43.90
COC(=O)CNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661783	0	35	-1.0	-48.24	311.47	-0.92	-49.16
COC(=O)CNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661783	1	35	-1.0	-48.25	311.53	-0.91	-49.16
O=C(NCCN1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661786	0	38	-1.0	-35.11	313.97	0.66	-34.45
O=C(NCCN1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661786	1	38	-1.0	-35.09	314.03	0.66	-34.43
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCC1	REAL250004661787	0	39	-1.0	-48.40	316.32	5.41	-42.99
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL250004661787	1	39	-1.0	-48.39	316.38	5.42	-42.97
O=C(CCCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2N=C1	REAL250004661788	0	35	-1.0	-51.73	306.00	2.28	-49.45
O=C(CCCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2N=C1	REAL250004661788	1	35	-1.0	-51.77	306.06	2.29	-49.48
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(=O)C2CC2)C1	REAL250004661789	0	39	-1.0	-48.90	324.11	4.51	-44.39
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(=O)C2CC2)C1	REAL250004661789	1	39	-1.0	-48.94	324.17	4.53	-44.41
CC(C)N(CC1CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661790	0	41	-1.0	-46.43	316.63	5.91	-40.52
CC(C)N(CC1CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661790	1	41	-1.0	-46.44	316.69	5.93	-40.51
CC(=O)N1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661791	0	42	-1.0	-51.85	335.77	2.62	-49.23
CC(=O)N1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661791	1	42	-1.0	-51.87	335.82	2.64	-49.23
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CC=C1F	REAL250004661792	0	38	-1.0	-48.58	327.65	5.06	-43.52
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CC=C1F	REAL250004661792	1	38	-1.0	-48.57	327.70	5.08	-43.49
COCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661793	0	30	-1.0	-38.82	276.76	0.65	-38.17
COCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661793	1	30	-1.0	-38.79	276.83	0.65	-38.14
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCO2	REAL250004661794	0	34	-1.0	-48.27	288.85	3.23	-45.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCO2	REAL250004661794	1	34	-1.0	-48.32	288.90	3.24	-45.08
CC(C)(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004661795	0	42	-1.0	-46.62	322.49	3.78	-42.84
CC(C)(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004661795	1	42	-1.0	-46.64	322.54	3.80	-42.84
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661796	0	38	-1.0	-46.20	304.95	3.79	-42.41
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661796	1	38	-1.0	-46.24	305.00	3.81	-42.43
CC1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661797	0	38	-1.0	-34.74	315.44	3.59	-31.15
CC1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661797	1	38	-1.0	-34.74	315.51	3.59	-31.15
CS(=O)(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661798	0	35	-1.0	-51.88	311.49	-0.60	-52.48
CS(=O)(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661798	1	35	-1.0	-51.90	311.55	-0.59	-52.49
O=C(CCCC1=N[N-]N=N1)NC(CC(F)(F)F)C1CC1	REAL250004661799	0	35	-1.0	-48.51	298.42	4.88	-43.63
O=C(CCCC1=NN=N[N-]1)NC(CC(F)(F)F)C1CC1	REAL250004661799	1	35	-1.0	-48.47	298.48	4.89	-43.58
CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004661800	0	41	-1.0	-45.15	324.39	2.56	-42.59
CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004661800	1	41	-1.0	-45.15	324.45	2.57	-42.58
O=C(CCCC1=N[N-]N=N1)N(CCO)CC(F)F	REAL250004661801	0	32	-1.0	-49.65	273.37	0.38	-49.27
O=C(CCCC1=NN=N[N-]1)N(CCO)CC(F)F	REAL250004661801	1	32	-1.0	-49.66	273.43	0.40	-49.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC(F)F	REAL250004661802	0	32	-1.0	-38.53	284.66	1.13	-37.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC(F)F	REAL250004661802	1	32	-1.0	-38.52	284.73	1.13	-37.39
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCCCO1	REAL250004661803	0	43	-1.0	-48.57	349.24	2.64	-45.93
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCCCO1	REAL250004661803	1	43	-1.0	-48.55	349.30	2.66	-45.89
CC(=O)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661804	0	31	-1.0	-38.33	286.71	1.25	-37.08
CC(=O)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661804	1	31	-1.0	-38.31	286.78	1.26	-37.05
O=C(NCCCCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661805	0	35	-1.0	-37.28	305.68	-0.76	-38.04
O=C(NCCCCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661805	1	35	-1.0	-37.29	305.75	-0.75	-38.04
C[C@@H](C1CCCCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004661806	0	44	-1.0	-47.99	332.80	6.79	-41.20
C[C@@H](C1CCCCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004661806	1	44	-1.0	-48.02	332.86	6.81	-41.21
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004661807	0	37	-1.0	-46.88	313.51	4.42	-42.46
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004661807	1	37	-1.0	-46.89	313.56	4.44	-42.45
CCC(C)N1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004661808	0	41	-1.0	-52.96	334.01	3.81	-49.15
CCC(C)N1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004661808	1	41	-1.0	-53.01	334.07	3.83	-49.18
COC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661809	0	39	-1.0	-50.19	302.19	3.06	-47.13
COC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661809	1	39	-1.0	-50.22	302.25	3.08	-47.14
CC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661810	0	39	-1.0	-47.30	296.44	2.66	-44.64
CC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661810	1	39	-1.0	-47.35	296.50	2.68	-44.67
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C)(C)C1	REAL250004661811	0	41	-1.0	-47.37	316.39	5.42	-41.95
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C)(C)C1	REAL250004661811	1	41	-1.0	-47.38	316.45	5.43	-41.95
O=C(CCCC1=N[N-]N=N1)NC1CC1C1=CC=CC(F)=C1	REAL250004661812	0	36	-1.0	-46.13	308.11	5.16	-40.97
O=C(CCCC1=NN=N[N-]1)NC1CC1C1=CC=CC(F)=C1	REAL250004661812	1	36	-1.0	-46.16	308.17	5.17	-40.99
C[C@@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004661813	0	44	-1.0	-46.94	340.78	5.45	-41.49
C[C@@H](CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004661813	1	44	-1.0	-46.99	340.84	5.46	-41.53
CCCC1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661814	0	47	-1.0	-47.35	343.94	7.00	-40.35
CCCC1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661814	1	47	-1.0	-47.39	344.00	7.02	-40.37
CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661815	0	33	-1.0	-38.32	281.94	0.28	-38.04
CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661815	1	33	-1.0	-38.33	282.01	0.28	-38.05
CC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661816	0	37	-1.0	-52.25	316.39	3.07	-49.18
CC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661816	1	37	-1.0	-52.20	316.45	3.08	-49.12
C=C(C)CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004661818	0	42	-1.0	-47.92	345.62	7.58	-40.34
C=C(C)CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004661818	1	42	-1.0	-47.97	345.68	7.59	-40.38
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004661819	0	36	-1.0	-48.18	292.20	0.89	-47.29
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004661819	1	36	-1.0	-48.16	292.25	0.90	-47.26
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1O	REAL250004661820	0	36	-1.0	-36.86	300.21	0.91	-35.95
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1O	REAL250004661820	1	36	-1.0	-36.85	300.28	0.91	-35.94
O=C(CCCC1=N[N-]N=N1)NC1=CC2=NC=CN2C=C1	REAL250004661821	0	32	-1.0	-50.56	282.39	3.94	-46.62
O=C(CCCC1=NN=N[N-]1)NC1=CC2=NC=CN2C=C1	REAL250004661821	1	32	-1.0	-50.56	282.44	3.96	-46.60
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CC=C1F	REAL250004661822	0	31	-1.0	-49.64	279.41	1.66	-47.98
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CC=C1F	REAL250004661822	1	31	-1.0	-49.65	279.46	1.68	-47.97
O=C(NCC1=NC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661823	0	31	-1.0	-38.74	289.98	1.45	-37.29
O=C(NCC1=NC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661823	1	31	-1.0	-38.73	290.05	1.46	-37.27
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCC(C)CC1	REAL250004661824	0	45	-1.0	-44.98	337.79	3.25	-41.73
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCC(C)CC1	REAL250004661824	1	45	-1.0	-45.02	337.85	3.27	-41.75
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004661825	0	35	-1.0	-48.96	309.24	4.75	-44.21
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004661825	1	35	-1.0	-48.94	309.30	4.76	-44.18
C#CC(CCC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661826	0	33	-1.0	-36.11	298.24	3.25	-32.86
C#CC(CCC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661826	1	33	-1.0	-36.07	298.31	3.27	-32.80
CC1(CC2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661827	0	42	-1.0	-48.26	344.93	6.91	-41.35
CC1(CC2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661827	1	42	-1.0	-48.31	344.98	6.92	-41.39
CC1=NOC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL250004661828	0	34	-1.0	-49.98	299.19	1.27	-48.71
CC1=NOC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL250004661828	1	34	-1.0	-49.97	299.25	1.29	-48.68
O=C(NC1CCSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661829	0	30	-1.0	-35.83	273.70	2.10	-33.73
O=C(NC1CCSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661829	1	30	-1.0	-35.77	273.76	2.11	-33.66
O=C(CCCC1=N[N-]N=N1)NCC1CCSC1	REAL250004661830	0	33	-1.0	-48.53	284.28	2.86	-45.67
O=C(CCCC1=NN=N[N-]1)NCC1CCSC1	REAL250004661830	1	33	-1.0	-48.50	284.33	2.88	-45.62
O=C(NCC1CCSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661831	0	33	-1.0	-37.07	294.70	2.71	-34.36
O=C(NCC1CCSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661831	1	33	-1.0	-37.03	294.77	2.71	-34.32
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCCCC2)C1	REAL250004661832	0	43	-1.0	-46.49	324.61	4.76	-41.73
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCCCC2)C1	REAL250004661832	1	43	-1.0	-46.49	324.67	4.78	-41.71
CC1CCC(C)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661833	0	44	-1.0	-45.81	331.99	4.92	-40.89
CC1CCC(C)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661833	1	44	-1.0	-45.88	332.04	4.93	-40.95
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)N1C	REAL250004661834	0	38	-1.0	-57.31	320.53	2.70	-54.61
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)N1C	REAL250004661834	1	38	-1.0	-57.33	320.59	2.71	-54.62
CC1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004661835	0	35	-1.0	-34.83	299.22	2.92	-31.91
CC1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004661835	1	35	-1.0	-34.81	299.29	2.93	-31.88
CC1OCCC12CN(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL250004661836	0	41	-1.0	-47.04	319.13	2.10	-44.94
CC1OCCC12CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL250004661836	1	41	-1.0	-47.03	319.19	2.12	-44.91
CSCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661837	0	30	-1.0	-36.13	287.87	2.60	-33.53
CSCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661837	1	30	-1.0	-36.10	287.94	2.60	-33.50
C#CC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661838	0	30	-1.0	-36.24	276.74	2.49	-33.75
C#CC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661838	1	30	-1.0	-36.16	276.81	2.50	-33.66
CC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004661839	0	36	-1.0	-46.03	294.95	5.98	-40.05
CC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004661839	1	36	-1.0	-46.04	295.01	5.99	-40.05
CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661840	0	28	-1.0	-45.39	259.27	2.10	-43.29
CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661840	1	28	-1.0	-45.41	259.33	2.12	-43.29
CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004661841	0	28	-1.0	-35.37	269.83	1.90	-33.47
CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004661841	1	28	-1.0	-35.33	269.90	1.91	-33.42
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCCC2)C1	REAL250004661842	0	39	-1.0	-47.47	312.29	5.25	-42.22
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCCC2)C1	REAL250004661842	1	39	-1.0	-47.49	312.35	5.26	-42.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2CCCC2)C1	REAL250004661843	0	39	-1.0	-36.38	321.12	5.34	-31.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2CCCC2)C1	REAL250004661843	1	39	-1.0	-36.39	321.19	5.35	-31.04
COC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661845	0	42	-1.0	-48.44	312.74	4.32	-44.12
COC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661845	1	42	-1.0	-48.44	312.80	4.34	-44.10
C#CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661846	0	34	-1.0	-50.67	309.24	2.66	-48.01
C#CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661846	1	34	-1.0	-50.68	309.18	2.64	-48.04
CC(C)(O)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661847	0	33	-1.0	-38.98	295.02	-0.12	-39.10
CC(C)(O)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661847	1	33	-1.0	-38.93	295.09	-0.12	-39.05
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CN=C2C=C1	REAL250004661848	0	37	-1.0	-49.10	320.26	3.85	-45.25
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CN=C2C=C1	REAL250004661848	1	37	-1.0	-49.08	320.21	3.83	-45.25
O=C(CCCC1=N[N-]N=N1)NC(CF)C1=CC=CC=C1	REAL250004661849	0	35	-1.0	-49.70	300.19	4.43	-45.27
O=C(CCCC1=NN=N[N-]1)NC(CF)C1=CC=CC=C1	REAL250004661849	1	35	-1.0	-49.67	300.24	4.44	-45.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=NN1C	REAL250004661851	0	34	-1.0	-46.42	294.64	2.42	-44.00
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=NN1C	REAL250004661851	1	34	-1.0	-46.43	294.70	2.43	-44.00
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=NN1C	REAL250004661852	0	34	-1.0	-38.73	305.21	2.22	-36.51
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=NN1C	REAL250004661852	1	34	-1.0	-38.72	305.28	2.23	-36.49
C#CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661853	0	30	-1.0	-36.36	278.55	2.32	-34.04
C#CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661853	1	30	-1.0	-36.35	278.61	2.33	-34.02
CC1=C(C#N)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004661854	0	30	-1.0	-51.93	277.12	1.98	-49.95
CC1=C(C#N)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004661854	1	30	-1.0	-51.93	277.18	1.99	-49.94
CC1=C(C#N)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL250004661855	0	30	-1.0	-41.86	287.71	1.76	-40.10
CC1=C(C#N)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL250004661855	1	30	-1.0	-41.86	287.78	1.78	-40.08
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC1C2	REAL250004661856	0	39	-1.0	-46.13	305.55	4.16	-41.97
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC1C2	REAL250004661856	1	39	-1.0	-46.15	305.61	4.17	-41.98
O=C(NCC1CC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661857	0	39	-1.0	-34.77	315.98	3.94	-30.83
O=C(NCC1CC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661857	1	39	-1.0	-34.80	316.06	3.96	-30.84
CC1CSCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661858	0	36	-1.0	-48.38	294.41	4.88	-43.50
CC1CSCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661858	1	36	-1.0	-48.41	294.47	4.89	-43.52
C[C@H]1COC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004661859	0	39	-1.0	-45.47	299.61	3.39	-42.08
C[C@H]1COC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004661859	1	39	-1.0	-45.38	299.67	3.41	-41.97
CCN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661860	0	32	-1.0	-42.45	281.32	0.39	-42.06
CCN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661860	1	32	-1.0	-42.42	281.39	0.40	-42.02
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL250004661861	0	34	-1.0	-46.96	308.46	2.95	-44.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL250004661861	1	34	-1.0	-46.97	308.40	2.94	-44.03
CN(CC1=CC(F)=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004661862	0	35	-1.0	-48.75	309.10	5.72	-43.03
CN(CC1=CC(F)=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004661862	1	35	-1.0	-48.74	309.16	5.74	-43.00
O=C(CCCC1=N[N-]N=N1)NC1CCC(F)CC1	REAL250004661863	0	35	-1.0	-46.68	286.20	3.19	-43.49
O=C(CCCC1=NN=N[N-]1)NC1CCC(F)CC1	REAL250004661863	1	35	-1.0	-46.71	286.26	3.20	-43.51
O=C(NC1CCC(F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661864	0	35	-1.0	-36.38	296.78	2.98	-33.40
O=C(NC1CCC(F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661864	1	35	-1.0	-36.38	296.86	3.00	-33.38
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)(F)F)C1	REAL250004661865	0	35	-1.0	-47.46	300.00	4.49	-42.97
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)(F)F)C1	REAL250004661865	1	35	-1.0	-47.43	300.06	4.50	-42.93
C#CCC(CC#C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661866	0	32	-1.0	-39.73	298.10	3.61	-36.12
C#CCC(CC#C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661866	1	32	-1.0	-39.69	298.14	3.62	-36.07
O=C(CCCC1=NN=N[N-]1)NC1=NC=CC2=CC=NC=C21	REAL250004661867	0	33	-1.0	-53.20	287.30	3.63	-49.57
O=C(CCCC1=N[N-]N=N1)NC1=NC=CC2=CC=NC=C21	REAL250004661867	1	33	-1.0	-53.15	287.24	3.62	-49.53
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN1C1=CC=CC=C1	REAL250004661868	0	36	-1.0	-54.91	313.54	7.86	-47.05
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN1C1=CC=CC=C1	REAL250004661868	1	36	-1.0	-54.84	313.48	7.85	-46.99
CN1CCN(C(=O)NNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661869	0	40	-1.0	-46.89	325.78	-0.48	-47.37
CN1CCN(C(=O)NNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661869	1	40	-1.0	-46.92	325.84	-0.47	-47.39
CCCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661870	0	39	-1.0	-47.79	329.75	4.80	-42.99
CCCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661870	1	39	-1.0	-47.81	329.80	4.81	-43.00
CC(C)(C)C1CCN(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661871	0	46	-1.0	-47.72	346.71	4.40	-43.32
CC(C)(C)C1CCN(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661871	1	46	-1.0	-47.69	346.76	4.41	-43.28
CN1C=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661872	0	31	-1.0	-49.96	275.80	1.72	-48.24
CN1C=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661872	1	31	-1.0	-50.01	275.85	1.73	-48.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004661873	0	37	-1.0	-47.84	313.87	6.14	-41.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2C=CC=C2)=C1	REAL250004661873	1	37	-1.0	-47.87	313.93	6.16	-41.71
CSC1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661874	0	34	-1.0	-48.07	301.41	1.62	-46.45
CSC1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661874	1	34	-1.0	-48.09	301.47	1.64	-46.45
O=C(CCCC1=N[N-]N=N1)NCC1CCC(O)C1	REAL250004661875	0	36	-1.0	-47.95	295.68	-0.17	-48.12
O=C(CCCC1=NN=N[N-]1)NCC1CCC(O)C1	REAL250004661875	1	36	-1.0	-47.99	295.74	-0.15	-48.14
O=C(NCC1CCC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661876	0	36	-1.0	-36.61	306.47	-0.36	-36.97
O=C(NCC1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661876	1	36	-1.0	-36.58	306.54	-0.35	-36.93
O=C(NC1CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661877	0	33	-1.0	-36.29	282.96	0.58	-35.71
O=C(NC1CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661877	1	33	-1.0	-36.30	283.03	0.59	-35.71
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C(F)F	REAL250004661878	0	28	-1.0	-46.43	265.26	1.72	-44.71
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C(F)F	REAL250004661878	1	28	-1.0	-46.46	265.32	1.73	-44.73
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOCC2	REAL250004661879	0	37	-1.0	-49.04	290.77	2.58	-46.46
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOCC2	REAL250004661879	1	37	-1.0	-49.05	290.83	2.60	-46.45
CC1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1C#N	REAL250004661880	0	39	-1.0	-56.97	304.80	4.77	-52.20
CC1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1C#N	REAL250004661880	1	39	-1.0	-56.98	304.85	4.79	-52.19
CC(CCCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004661882	0	37	-1.0	-49.95	321.56	4.17	-45.78
CC(CCCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004661882	1	37	-1.0	-49.97	321.62	4.19	-45.78
O=C(CCCC1=N[N-]N=N1)NCCCN1C=CC=NC1=O	REAL250004661884	0	37	-1.0	-62.69	320.82	1.15	-61.54
O=C(CCCC1=NN=N[N-]1)NCCCN1C=CC=NC1=O	REAL250004661884	1	37	-1.0	-62.69	320.88	1.17	-61.52
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CN=C2)C1	REAL250004661885	0	39	-1.0	-50.06	325.35	5.41	-44.65
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CN=C2)C1	REAL250004661885	1	39	-1.0	-50.08	325.41	5.43	-44.65
O=C(NC1=CNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661886	0	29	-1.0	-40.88	271.25	0.06	-40.82
O=C(NC1=CNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661886	1	29	-1.0	-40.84	271.31	0.06	-40.78
CC1=CC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004661888	0	39	-1.0	-48.74	332.34	4.10	-44.64
CC1=CC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004661888	1	39	-1.0	-48.80	332.40	4.11	-44.69
CC(C)C(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661889	0	38	-1.0	-46.88	301.86	-0.31	-47.19
CC(C)C(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661889	1	38	-1.0	-46.89	301.92	-0.30	-47.19
CC(C)C(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661890	0	38	-1.0	-36.89	313.16	0.15	-36.74
CC(C)C(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661890	1	38	-1.0	-36.86	313.23	0.16	-36.70
CC1=NN=C(C(C)NC(=O)CCCC2=N[N-]N=N2)N1	REAL250004661893	0	34	-1.0	-49.28	294.67	1.58	-47.70
CC1=NN=C(C(C)NC(=O)CCCC2=NN=N[N-]2)N1	REAL250004661893	1	34	-1.0	-49.31	294.73	1.60	-47.71
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004661894	0	34	-1.0	-42.98	305.26	1.37	-41.61
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004661894	1	34	-1.0	-42.92	305.33	1.39	-41.53
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(CO)C1	REAL250004661895	0	36	-1.0	-52.56	293.21	0.99	-51.57
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(CO)C1	REAL250004661895	1	36	-1.0	-52.56	293.27	1.00	-51.56
COC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661896	0	35	-1.0	-38.22	296.53	3.20	-35.02
COC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661896	1	35	-1.0	-38.20	296.59	3.22	-34.98
O=C(CCCC1=N[N-]N=N1)NCC1(C(F)(F)F)CCC1	REAL250004661897	0	35	-1.0	-46.10	298.52	3.65	-42.45
O=C(CCCC1=NN=N[N-]1)NCC1(C(F)(F)F)CCC1	REAL250004661897	1	35	-1.0	-46.11	298.57	3.67	-42.44
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=N1	REAL250004661898	0	30	-1.0	-47.36	273.63	2.21	-45.15
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=N1	REAL250004661898	1	30	-1.0	-47.37	273.68	2.23	-45.14
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C2=CC=CC=C2)C1	REAL250004661900	0	37	-1.0	-49.55	309.91	3.12	-46.43
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C2=CC=CC=C2)C1	REAL250004661900	1	37	-1.0	-49.55	309.96	3.14	-46.41
O=C(CCCC1=N[N-]N=N1)NCC(Cl)Cl	REAL250004661901	0	25	-1.0	-44.82	250.89	1.89	-42.93
O=C(CCCC1=NN=N[N-]1)NCC(Cl)Cl	REAL250004661901	1	25	-1.0	-44.86	250.95	1.91	-42.95
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004661902	0	33	-1.0	-47.09	287.41	2.79	-44.30
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004661902	1	33	-1.0	-47.10	287.47	2.80	-44.30
O=C(CCCC1=NN=N[N-]1)NC1=NN2C=CC=CC2=C1	REAL250004661903	0	32	-1.0	-52.83	279.96	4.10	-48.73
O=C(CCCC1=N[N-]N=N1)NC1=NN2C=CC=CC2=C1	REAL250004661903	1	32	-1.0	-52.87	279.90	4.08	-48.79
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=NC=C2C1	REAL250004661904	0	32	-1.0	-47.86	276.61	3.26	-44.60
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=NC=C2C1	REAL250004661904	1	32	-1.0	-47.89	276.66	3.28	-44.61
CC(C)CC1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661905	0	42	-1.0	-50.46	322.96	2.20	-48.26
CC(C)CC1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661905	1	42	-1.0	-50.51	323.01	2.21	-48.30
CC1(C)COC(=O)C1NC(=O)CCCC1=N[N-]N=N1	REAL250004661906	0	35	-1.0	-55.81	292.17	2.51	-53.30
CC1(C)COC(=O)C1NC(=O)CCCC1=NN=N[N-]1	REAL250004661906	1	35	-1.0	-55.84	292.23	2.52	-53.32
CN(CCC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661907	0	32	-1.0	-40.22	282.63	-0.23	-40.45
CN(CCC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661907	1	32	-1.0	-40.22	282.71	-0.19	-40.41
COCCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661908	0	33	-1.0	-37.54	298.31	1.22	-36.32
COCCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661908	1	33	-1.0	-37.49	298.38	1.23	-36.26
N#CCNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661909	0	30	-1.0	-49.42	277.49	-1.31	-50.73
N#CCNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661909	1	30	-1.0	-49.47	277.54	-1.30	-50.77
N#CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661910	0	30	-1.0	-41.45	288.08	-1.53	-42.98
N#CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661910	1	30	-1.0	-41.45	288.15	-1.52	-42.97
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1CC1	REAL250004661911	0	36	-1.0	-48.70	298.19	1.85	-46.85
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1CC1	REAL250004661911	1	36	-1.0	-48.71	298.24	1.86	-46.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC1CC1	REAL250004661912	0	36	-1.0	-35.81	305.85	2.51	-33.30
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC1CC1	REAL250004661912	1	36	-1.0	-35.77	305.92	2.51	-33.26
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004661913	0	39	-1.0	-49.97	325.37	5.40	-44.57
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=NC=C2)C1	REAL250004661913	1	39	-1.0	-50.00	325.43	5.42	-44.58
CC(C)SCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661914	0	35	-1.0	-48.28	303.65	3.20	-45.08
CC(C)SCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661914	1	35	-1.0	-48.29	303.71	3.21	-45.08
CC(C)SCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661915	0	35	-1.0	-35.55	314.24	2.99	-32.56
CC(C)SCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661915	1	35	-1.0	-35.55	314.31	3.00	-32.55
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)Br	REAL250004661916	0	25	-1.0	-43.69	253.42	1.51	-42.18
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)Br	REAL250004661916	1	25	-1.0	-43.71	253.47	1.52	-42.19
CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661917	0	35	-1.0	-48.85	303.49	2.15	-46.70
CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661917	1	35	-1.0	-48.85	303.43	2.14	-46.71
CCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004661918	0	35	-1.0	-38.81	314.02	1.93	-36.88
CCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004661918	1	35	-1.0	-38.76	314.09	1.93	-36.83
CC1COCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661919	0	39	-1.0	-47.60	309.54	1.93	-45.67
CC1COCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661919	1	39	-1.0	-47.61	309.60	1.94	-45.67
CC(CC1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004661920	0	42	-1.0	-47.48	327.68	3.77	-43.71
CC(CC1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004661920	1	42	-1.0	-47.55	327.74	3.78	-43.77
N#CC1=NN(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004661921	0	32	-1.0	-59.03	297.72	2.34	-56.69
N#CC1=NN(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004661921	1	32	-1.0	-59.05	297.66	2.32	-56.73
CON(CC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004661922	0	38	-1.0	-43.63	302.55	4.46	-39.17
CON(CC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004661922	1	38	-1.0	-43.67	302.61	4.47	-39.20
CON(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661923	0	38	-1.0	-35.87	310.39	5.00	-30.87
CON(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661923	1	38	-1.0	-35.84	310.46	5.00	-30.84
CSC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661924	0	32	-1.0	-51.89	292.82	4.22	-47.67
CSC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661924	1	32	-1.0	-51.89	292.76	4.20	-47.69
CC1CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661925	0	32	-1.0	-35.01	272.71	2.45	-32.56
CC1CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661925	1	32	-1.0	-35.04	272.78	2.45	-32.59
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCC2)CC1	REAL250004661926	0	39	-1.0	-46.49	300.75	5.26	-41.23
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCC2)CC1	REAL250004661926	1	39	-1.0	-46.50	300.80	5.27	-41.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CCC2)CC1	REAL250004661927	0	39	-1.0	-35.04	309.06	5.47	-29.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CCC2)CC1	REAL250004661927	1	39	-1.0	-35.02	309.12	5.49	-29.53
CCOC1CC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004661928	0	43	-1.0	-47.51	346.23	4.58	-42.93
CCOC1CC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004661928	1	43	-1.0	-47.56	346.29	4.59	-42.97
O=C(CCCC1=NN=N[N-]1)NC1=NN=CN1C1=CC=CC=C1	REAL250004661929	0	35	-1.0	-58.10	308.76	8.37	-49.73
O=C(CCCC1=N[N-]N=N1)NC1=NN=CN1C1=CC=CC=C1	REAL250004661929	1	35	-1.0	-58.07	308.70	8.35	-49.72
NC(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661930	0	38	-1.0	-53.67	316.78	-0.87	-54.54
NC(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661930	1	38	-1.0	-53.67	316.83	-0.85	-54.52
O=C(CCCC1=N[N-]N=N1)NCCC1=CNC(=O)C=C1	REAL250004661931	0	35	-1.0	-56.95	305.19	1.13	-55.82
O=C(CCCC1=NN=N[N-]1)NCCC1=CNC(=O)C=C1	REAL250004661931	1	35	-1.0	-56.96	305.24	1.15	-55.81
CCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004661932	0	35	-1.0	-52.87	296.92	-0.76	-53.63
CCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004661932	1	35	-1.0	-52.86	296.98	-0.75	-53.61
CCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004661933	0	35	-1.0	-42.99	307.51	-0.96	-43.95
CCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004661933	1	35	-1.0	-42.96	307.57	-0.96	-43.92
CC1CC(C2=CC=CC=C2)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661934	0	42	-1.0	-48.26	341.45	7.58	-40.68
CC1CC(C2=CC=CC=C2)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661934	1	42	-1.0	-48.24	341.51	7.60	-40.64
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)CC1=CC=CC=C1	REAL250004661935	0	39	-1.0	-47.26	331.96	1.80	-45.46
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)CC1=CC=CC=C1	REAL250004661935	1	39	-1.0	-47.27	332.02	1.81	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C(O)C=C1F	REAL250004661936	1	30	-1.0	-46.47	285.14	1.17	-45.30
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C(O)C=C1F	REAL250004661936	1	30	-1.0	-46.46	285.20	1.18	-45.28
CC1=CC=CC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661937	0	40	-1.0	-49.03	337.89	3.86	-45.17
CC1=CC=CC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661937	1	40	-1.0	-49.07	337.95	3.87	-45.20
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC(F)=C2)C1	REAL250004661938	0	36	-1.0	-48.99	310.18	5.60	-43.39
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC(F)=C2)C1	REAL250004661938	1	36	-1.0	-48.96	310.24	5.62	-43.34
C=CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661939	0	41	-1.0	-46.64	339.48	4.91	-41.73
C=CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661939	1	41	-1.0	-46.72	339.53	4.92	-41.80
CC(NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=NC=C1F	REAL250004661940	0	34	-1.0	-46.54	300.72	2.72	-43.82
CC(NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=NC=C1F	REAL250004661940	1	34	-1.0	-46.56	300.78	2.74	-43.82
C#CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004661941	0	37	-1.0	-48.47	323.55	7.08	-41.39
C#CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004661941	1	37	-1.0	-48.45	323.61	7.10	-41.35
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCC1	REAL250004661942	0	42	-1.0	-47.32	331.51	5.32	-42.00
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCC1	REAL250004661942	1	42	-1.0	-47.36	331.57	5.34	-42.02
O=C(CCCC1=N[N-]N=N1)NCC1(C(F)(F)F)CC1	REAL250004661943	0	32	-1.0	-46.90	288.30	2.92	-43.98
O=C(CCCC1=NN=N[N-]1)NCC1(C(F)(F)F)CC1	REAL250004661943	1	32	-1.0	-46.91	288.36	2.93	-43.98
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=NN=CN1C	REAL250004661944	0	40	-1.0	-48.73	328.81	4.40	-44.33
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=NN=CN1C	REAL250004661944	1	40	-1.0	-48.72	328.86	4.42	-44.30
COC(=O)C(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004661945	0	40	-1.0	-47.86	329.58	2.92	-44.94
COC(=O)C(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004661945	1	40	-1.0	-47.84	329.63	2.94	-44.90
CC1=NOC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661946	0	37	-1.0	-54.55	313.54	2.09	-52.46
CC1=NOC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661946	1	37	-1.0	-54.54	313.60	2.11	-52.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC=NC2=C1	REAL250004661947	0	32	-1.0	-51.59	278.82	3.00	-48.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC=NC2=C1	REAL250004661947	1	32	-1.0	-51.58	278.88	3.02	-48.56
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCC1	REAL250004661948	0	36	-1.0	-47.64	296.71	0.10	-47.54
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCC1	REAL250004661948	1	36	-1.0	-47.66	296.76	0.11	-47.55
O=C(NCCC1(O)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661949	0	36	-1.0	-36.17	307.30	-0.10	-36.27
O=C(NCCC1(O)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661949	1	36	-1.0	-36.14	307.37	-0.11	-36.25
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004661950	0	35	-1.0	-47.52	301.74	4.82	-42.70
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004661950	1	35	-1.0	-47.51	301.80	4.83	-42.68
CC1(C)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661951	0	35	-1.0	-35.08	293.22	2.93	-32.15
CC1(C)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661951	1	35	-1.0	-35.08	293.29	2.93	-32.15
CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661952	0	35	-1.0	-35.58	297.10	3.29	-32.29
CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661952	1	35	-1.0	-35.56	297.17	3.31	-32.25
CO[C@H]1C[C@@H](N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004661953	0	36	-1.0	-46.87	292.31	2.49	-44.38
CO[C@H]1C[C@@H](N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004661953	1	36	-1.0	-46.84	292.37	2.51	-44.33
CO[C@H]1C[C@@H](N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661954	0	36	-1.0	-36.12	299.84	2.91	-33.21
CO[C@H]1C[C@@H](N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661954	1	36	-1.0	-36.11	299.90	2.92	-33.19
COCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004661955	0	32	-1.0	-53.13	295.16	1.81	-51.32
COCC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004661955	1	32	-1.0	-53.15	295.10	1.80	-51.35
COC1C2CC3CN(C(=O)CCCC4=N[N-]N=N4)C1C3C2	REAL250004661956	0	41	-1.0	-49.13	316.75	5.00	-44.13
COC1C2CC3CN(C(=O)CCCC4=NN=N[N-]4)C1C3C2	REAL250004661956	1	41	-1.0	-49.12	316.81	5.02	-44.10
CC1CSCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004661957	0	33	-1.0	-46.63	283.70	2.92	-43.71
CC1CSCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004661957	1	33	-1.0	-46.64	283.75	2.93	-43.71
CC1CSCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661958	0	33	-1.0	-35.61	294.27	2.71	-32.90
CC1CSCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661958	1	33	-1.0	-35.61	294.34	2.71	-32.90
CC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004661959	0	34	-1.0	-50.95	298.37	3.83	-47.12
CC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004661959	1	34	-1.0	-50.98	298.42	3.85	-47.13
C#CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004661961	0	38	-1.0	-49.47	336.23	4.26	-45.21
C#CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004661961	1	38	-1.0	-49.47	336.28	4.27	-45.20
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004661962	0	38	-1.0	-46.70	285.77	4.89	-41.81
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004661962	1	38	-1.0	-46.72	285.83	4.91	-41.81
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004661963	0	38	-1.0	-36.03	299.73	5.98	-30.05
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004661963	1	38	-1.0	-36.00	299.80	5.99	-30.01
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C2CCCCN12	REAL250004661964	0	39	-1.0	-48.38	322.61	3.60	-44.78
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C2CCCCN12	REAL250004661964	1	39	-1.0	-48.39	322.67	3.61	-44.78
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=CC=CN2N=C1	REAL250004661965	0	35	-1.0	-50.37	306.88	3.30	-47.07
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=CC=CN2N=C1	REAL250004661965	1	35	-1.0	-50.36	306.82	3.28	-47.08
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CC=C2)C1	REAL250004661966	0	40	-1.0	-48.95	330.50	7.18	-41.77
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CC=C2)C1	REAL250004661966	1	40	-1.0	-48.93	330.56	7.19	-41.74
O=C(CCCC1=N[N-]N=N1)NNC1=NC=CC=C1F	REAL250004661967	0	30	-1.0	-49.10	272.68	2.38	-46.72
O=C(CCCC1=NN=N[N-]1)NNC1=NC=CC=C1F	REAL250004661967	1	30	-1.0	-49.10	272.74	2.40	-46.70
CCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004661968	0	33	-1.0	-39.48	285.31	0.16	-39.32
CCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004661968	1	33	-1.0	-39.48	285.38	0.17	-39.31
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CCCO1	REAL250004661969	0	41	-1.0	-45.81	309.83	1.89	-43.92
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CCCO1	REAL250004661969	1	41	-1.0	-45.83	309.89	1.91	-43.92
CC1=CC2=C(C=C1C)N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004661971	0	39	-1.0	-51.49	315.87	6.77	-44.72
CC1=CC2=C(C=C1C)N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004661971	1	39	-1.0	-51.48	315.93	6.79	-44.69
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCOCC1	REAL250004661972	0	40	-1.0	-49.22	316.35	-0.97	-50.19
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCOCC1	REAL250004661972	1	40	-1.0	-49.22	316.41	-0.96	-50.18
CC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)N1C1CC1	REAL250004661973	0	35	-1.0	-61.15	302.26	6.40	-54.75
CC1=NN=C(NC(=O)CCCC2=NN=N[N-]2)N1C1CC1	REAL250004661973	1	35	-1.0	-61.15	302.32	6.41	-54.74
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004661974	0	36	-1.0	-49.58	285.82	2.57	-47.01
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004661974	1	36	-1.0	-49.57	285.88	2.58	-46.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCOC1	REAL250004661975	0	36	-1.0	-36.45	293.61	2.98	-33.47
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCOC1	REAL250004661975	1	36	-1.0	-36.43	293.68	3.00	-33.43
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004661976	0	33	-1.0	-34.84	276.69	2.19	-32.65
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004661976	1	33	-1.0	-34.77	276.76	2.20	-32.57
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2CCC2)C1	REAL250004661977	0	36	-1.0	-36.49	304.82	4.71	-31.78
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2CCC2)C1	REAL250004661977	1	36	-1.0	-36.49	304.88	4.72	-31.77
CCC1=COC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661979	0	31	-1.0	-49.83	273.77	1.05	-48.78
CCC1=COC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661979	1	31	-1.0	-49.84	273.82	1.08	-48.76
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=CC=C2)=CO1	REAL250004661980	0	35	-1.0	-50.79	310.02	3.37	-47.42
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=CC=C2)=CO1	REAL250004661980	1	35	-1.0	-50.79	309.96	3.35	-47.44
CC1=NN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C(C)=N1	REAL250004661982	0	38	-1.0	-59.81	325.52	4.27	-55.54
CC1=NN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C(C)=N1	REAL250004661982	1	38	-1.0	-59.77	325.58	4.28	-55.49
O=C(CCCC1=N[N-]N=N1)NCCOC(=O)C1CC1	REAL250004661983	0	35	-1.0	-48.32	306.95	3.03	-45.29
O=C(CCCC1=NN=N[N-]1)NCCOC(=O)C1CC1	REAL250004661983	1	35	-1.0	-48.35	307.01	3.05	-45.30
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661984	0	30	-1.0	-37.83	281.23	4.08	-33.75
O=C(NOC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661984	1	30	-1.0	-37.84	281.29	4.09	-33.75
CC1=CN2C=C(CNC(=O)CCCC3=N[N-]N=N3)N=C2C=C1	REAL250004661985	0	38	-1.0	-51.82	327.45	4.63	-47.19
CC1=CN2C=C(CNC(=O)CCCC3=NN=N[N-]3)N=C2C=C1	REAL250004661985	1	38	-1.0	-51.82	327.50	4.64	-47.18
CC1=NOC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661986	0	36	-1.0	-44.53	303.22	0.33	-44.20
CC1=NOC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661986	1	36	-1.0	-44.54	303.28	0.35	-44.19
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2CC2)=CN1	REAL250004661988	0	33	-1.0	-45.81	283.63	4.86	-40.95
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2CC2)=CN1	REAL250004661988	1	33	-1.0	-45.83	283.69	4.88	-40.95
O=C(NC1=NC(C2CC2)=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661989	0	33	-1.0	-36.43	294.20	4.65	-31.78
O=C(NC1=NC(C2CC2)=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661989	1	33	-1.0	-36.37	294.26	4.65	-31.72
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOCC2)CC1	REAL250004661990	0	43	-1.0	-47.14	317.29	3.74	-43.40
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOCC2)CC1	REAL250004661990	1	43	-1.0	-47.13	317.34	3.75	-43.38
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C2)C1	REAL250004661991	0	39	-1.0	-47.25	288.74	5.70	-41.55
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C2)C1	REAL250004661991	1	39	-1.0	-47.27	288.79	5.72	-41.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCCC(C2)C1	REAL250004661992	0	39	-1.0	-35.34	296.33	5.93	-29.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCCC(C2)C1	REAL250004661992	1	39	-1.0	-35.33	296.39	5.94	-29.39
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)S1=O	REAL250004661993	0	40	-1.0	-51.84	323.06	3.15	-48.69
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)S1=O	REAL250004661993	1	40	-1.0	-51.87	323.11	3.17	-48.70
C#CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004661994	0	40	-1.0	-50.72	339.68	6.41	-44.31
C#CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004661994	1	40	-1.0	-50.75	339.73	6.43	-44.32
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CO2)C1	REAL250004661995	0	37	-1.0	-50.93	311.23	5.28	-45.65
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CO2)C1	REAL250004661995	1	37	-1.0	-50.97	311.29	5.29	-45.68
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NNC=C1	REAL250004661996	0	39	-1.0	-50.39	311.15	3.56	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NNC=C1	REAL250004661996	1	39	-1.0	-50.36	311.21	3.58	-46.78
CN(C)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661997	0	33	-1.0	-48.50	285.65	5.11	-43.39
CN(C)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661997	1	33	-1.0	-48.50	285.71	5.13	-43.37
N#CC1=CC=CC(C2(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL250004661998	0	37	-1.0	-51.49	324.89	5.28	-46.21
N#CC1=CC=CC(C2(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL250004661998	1	37	-1.0	-51.54	324.95	5.30	-46.24
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C)C1=O	REAL250004661999	0	36	-1.0	-56.05	294.13	2.41	-53.64
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C)C1=O	REAL250004661999	1	36	-1.0	-56.04	294.19	2.43	-53.61
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004662000	1	40	-1.0	-45.49	302.67	2.17	-43.32
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004662000	1	40	-1.0	-45.52	302.73	2.18	-43.34
COCCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662002	0	38	-1.0	-52.53	325.92	3.55	-48.98
COCCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662002	1	38	-1.0	-52.54	325.97	3.57	-48.97
CO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662003	0	33	-1.0	-36.09	290.08	0.65	-35.44
CO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662003	1	33	-1.0	-36.05	290.14	0.65	-35.40
CNC1=CC=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662004	0	35	-1.0	-53.44	306.16	2.86	-50.58
CNC1=CC=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662004	1	35	-1.0	-53.46	306.22	2.88	-50.58
COC(=O)[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004662005	0	32	-1.0	-46.53	283.95	-1.84	-48.37
COC(=O)[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004662005	1	32	-1.0	-46.51	284.01	-1.82	-48.33
COCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662007	0	33	-1.0	-37.19	293.92	0.66	-36.53
COCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662007	1	33	-1.0	-37.12	293.98	0.68	-36.44
CSSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662008	0	30	-1.0	-49.47	285.76	3.29	-46.18
CSSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662008	1	30	-1.0	-49.48	285.82	3.31	-46.17
CSSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662009	0	30	-1.0	-36.49	296.36	3.09	-33.40
CSSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662009	1	30	-1.0	-36.43	296.42	3.10	-33.33
O=C(CCCC1=NN=N[N-]1)NC1=NN=CN1C1CC1	REAL250004662010	0	32	-1.0	-60.04	280.40	6.45	-53.59
O=C(CCCC1=N[N-]N=N1)NC1=NN=CN1C1CC1	REAL250004662010	1	32	-1.0	-59.95	280.34	6.43	-53.52
O=C(CCCC1=N[N-]N=N1)NCCC1=CC2=NNC=C2C=C1	REAL250004662011	0	38	-1.0	-55.73	326.83	2.96	-52.77
O=C(CCCC1=NN=N[N-]1)NCCC1=CC2=NNC=C2C=C1	REAL250004662011	1	38	-1.0	-55.75	326.89	2.98	-52.77
CCOC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004662012	0	39	-1.0	-48.08	324.41	4.34	-43.74
CCOC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004662012	1	39	-1.0	-48.09	324.47	4.35	-43.74
CC1=CSC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662013	0	37	-1.0	-45.82	316.44	2.51	-43.31
CC1=CSC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662013	1	37	-1.0	-45.83	316.49	2.52	-43.31
CC1=NC=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662014	0	38	-1.0	-50.63	322.30	3.60	-47.03
CC1=NC=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662014	1	38	-1.0	-50.65	322.36	3.62	-47.03
CCOC(=O)C1=CNC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662015	0	35	-1.0	-46.80	310.78	4.27	-42.53
CCOC(=O)C1=CNC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662015	1	35	-1.0	-46.82	310.84	4.29	-42.53
O=C(NCC#CCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662016	0	28	-1.0	-38.47	268.75	-1.63	-40.10
O=C(NCC#CCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662016	1	28	-1.0	-38.43	268.82	-1.62	-40.05
NC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662017	0	37	-1.0	-56.02	299.91	-2.67	-58.69
NC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662017	1	37	-1.0	-56.06	299.97	-2.66	-58.72
N#CSCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662018	0	30	-1.0	-50.21	285.10	2.12	-48.09
N#CSCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662018	1	30	-1.0	-50.25	285.16	2.14	-48.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(=O)CC1	REAL250004662020	0	31	-1.0	-36.17	267.84	3.00	-33.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(=O)CC1	REAL250004662020	1	31	-1.0	-36.12	267.91	3.01	-33.11
COC1=CC(O)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662021	0	34	-1.0	-52.18	293.79	-0.21	-52.39
COC1=CC(O)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662021	1	34	-1.0	-52.20	293.85	-0.19	-52.39
CC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662022	0	30	-1.0	-40.18	267.10	-0.81	-40.99
CC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662022	1	30	-1.0	-40.08	267.17	-0.80	-40.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CC1COC2	REAL250004662023	0	31	-1.0	-37.21	268.12	1.54	-35.67
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CC1COC2	REAL250004662023	1	31	-1.0	-37.19	268.19	1.55	-35.64
O=C(CCCC1=N[N-]N=N1)NCCCC(F)(F)F	REAL250004662024	0	31	-1.0	-47.13	280.30	2.40	-44.73
O=C(CCCC1=NN=N[N-]1)NCCCC(F)(F)F	REAL250004662024	1	31	-1.0	-47.14	280.36	2.41	-44.73
O=C(CCCC1=N[N-]N=N1)NC1=NC(C(F)(F)F)=CN1	REAL250004662026	0	29	-1.0	-44.64	273.15	3.76	-40.88
O=C(CCCC1=NN=N[N-]1)NC1=NC(C(F)(F)F)=CN1	REAL250004662026	1	29	-1.0	-44.65	273.20	3.77	-40.88
COC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662027	0	29	-1.0	-52.75	272.13	1.49	-51.26
COC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662027	1	29	-1.0	-52.73	272.07	1.47	-51.26
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCO1	REAL250004662028	0	40	-1.0	-49.27	314.69	3.91	-45.36
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCO1	REAL250004662028	1	40	-1.0	-49.28	314.74	3.92	-45.36
CON(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004662029	0	40	-1.0	-45.51	315.63	2.93	-42.58
CON(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004662029	1	40	-1.0	-45.50	315.69	2.94	-42.56
CC1=NN(C)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662031	0	35	-1.0	-47.12	301.64	1.61	-45.51
CC1=NN(C)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662031	1	35	-1.0	-47.11	301.70	1.63	-45.48
CC1=NN(C)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004662032	0	35	-1.0	-37.61	312.23	1.40	-36.21
CC1=NN(C)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004662032	1	35	-1.0	-37.62	312.30	1.41	-36.21
C=CCCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004662033	0	36	-1.0	-46.12	304.95	0.32	-45.80
C=CCCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004662033	1	36	-1.0	-46.15	305.01	0.34	-45.81
C=CCCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662034	0	36	-1.0	-36.45	315.54	0.12	-36.33
C=CCCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662034	1	36	-1.0	-36.42	315.61	0.14	-36.28
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)O	REAL250004662035	0	35	-1.0	-34.72	293.58	-0.33	-35.05
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)O	REAL250004662035	1	35	-1.0	-34.70	293.66	-0.30	-35.00
C=CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004662036	0	42	-1.0	-46.45	330.61	4.96	-41.49
C=CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004662036	1	42	-1.0	-46.46	330.67	4.98	-41.48
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662037	0	35	-1.0	-34.74	304.09	3.27	-31.47
CC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662037	1	35	-1.0	-34.69	304.16	3.27	-31.42
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=CC=CC=C2N1	REAL250004662038	0	36	-1.0	-46.74	310.97	3.40	-43.34
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=CC=CC=C2N1	REAL250004662038	1	36	-1.0	-46.77	311.02	3.42	-43.35
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1C(C)C	REAL250004662039	0	44	-1.0	-48.28	334.82	5.98	-42.30
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1C(C)C	REAL250004662039	1	44	-1.0	-48.28	334.88	6.00	-42.28
CCN1C=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662040	0	38	-1.0	-46.74	318.88	3.40	-43.34
CCN1C=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662040	1	38	-1.0	-46.78	318.93	3.41	-43.37
CCCC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004662041	0	37	-1.0	-46.91	319.48	0.59	-46.32
CCCC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004662041	1	37	-1.0	-46.98	319.53	0.60	-46.38
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004662042	0	41	-1.0	-45.50	313.49	4.90	-40.60
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004662042	1	41	-1.0	-45.49	313.55	4.91	-40.58
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C(F)=C1F	REAL250004662043	0	30	-1.0	-45.97	276.05	0.68	-45.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C(F)=C1F	REAL250004662043	1	30	-1.0	-45.99	276.10	0.70	-45.29
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004662044	0	38	-1.0	-46.83	301.86	3.85	-42.98
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004662044	1	38	-1.0	-46.85	301.92	3.87	-42.98
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004662045	0	38	-1.0	-35.22	312.45	3.66	-31.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004662045	1	38	-1.0	-35.19	312.52	3.67	-31.52
CC1=CC=CN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662046	0	40	-1.0	-49.33	334.13	3.72	-45.61
CC1=CC=CN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662046	1	40	-1.0	-49.34	334.19	3.73	-45.61
O=C(CCCC1=N[N-]N=N1)N1CCC2CC(O)CCC2C1	REAL250004662047	0	43	-1.0	-48.92	329.68	2.58	-46.34
O=C(CCCC1=NN=N[N-]1)N1CCC2CC(O)CCC2C1	REAL250004662047	1	43	-1.0	-48.97	329.74	2.59	-46.38
CCC1CN(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662048	1	43	-1.0	-45.68	321.28	2.81	-42.87
CC(CC1=CC=CC(O)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662049	0	39	-1.0	-51.97	329.88	2.39	-49.58
CC(CC1=CC=CC(O)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662049	1	39	-1.0	-52.03	329.94	2.40	-49.63
CCN1C=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004662050	0	38	-1.0	-48.92	322.31	2.91	-46.01
CCN1C=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004662050	1	38	-1.0	-48.96	322.25	2.90	-46.06
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1CO	REAL250004662051	0	36	-1.0	-47.44	291.36	0.26	-47.18
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1CO	REAL250004662051	1	36	-1.0	-47.42	291.42	0.28	-47.14
O=C(N[C@@H]1CCC[C@@H]1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662052	0	36	-1.0	-35.64	300.84	0.08	-35.56
O=C(N[C@@H]1CCC[C@@H]1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662052	1	36	-1.0	-35.64	300.91	0.09	-35.55
COC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662053	0	33	-1.0	-49.68	290.80	-1.79	-51.47
COC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662053	1	33	-1.0	-49.64	290.86	-1.78	-51.42
COC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662054	0	33	-1.0	-39.60	301.40	-2.00	-41.60
COC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662054	1	33	-1.0	-39.55	301.47	-1.99	-41.54
CC(C)C1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662055	0	40	-1.0	-46.38	330.09	4.90	-41.48
CC(C)C1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662055	1	40	-1.0	-46.39	330.15	4.91	-41.48
CCO[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662056	0	37	-1.0	-48.12	308.98	0.02	-48.10
CCO[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662056	1	37	-1.0	-48.11	309.04	0.03	-48.08
NC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662057	0	33	-1.0	-57.89	275.73	0.80	-57.09
NC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662057	1	33	-1.0	-57.93	275.79	0.82	-57.11
NC(=O)[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662058	0	33	-1.0	-46.25	282.34	1.11	-45.14
NC(=O)[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662058	1	33	-1.0	-46.23	282.41	1.12	-45.11
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C2=NC=CN21	REAL250004662059	0	36	-1.0	-58.27	303.37	3.19	-55.08
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C2=NC=CN21	REAL250004662059	1	36	-1.0	-58.27	303.43	3.21	-55.06
CC(C)(O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662060	0	41	-1.0	-49.21	310.96	0.46	-48.75
CC(C)(O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662060	1	41	-1.0	-49.24	311.01	0.48	-48.76
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004662061	0	34	-1.0	-48.69	287.72	-1.53	-50.22
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004662061	1	34	-1.0	-48.69	287.78	-1.51	-50.20
CO[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004662062	0	34	-1.0	-36.60	294.09	-1.28	-37.88
CO[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004662062	1	34	-1.0	-36.66	294.15	-1.28	-37.94
O=C(CCCC1=N[N-]N=N1)NCC1CCCS1(=O)=O	REAL250004662063	0	35	-1.0	-54.14	301.49	-0.33	-54.47
O=C(CCCC1=NN=N[N-]1)NCC1CCCS1(=O)=O	REAL250004662063	1	35	-1.0	-54.14	301.55	-0.32	-54.46
CC(C)(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662064	0	37	-1.0	-45.20	318.31	4.11	-41.09
CC(C)(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662064	1	37	-1.0	-45.16	318.25	4.09	-41.07
CC1(C)CC(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662065	0	42	-1.0	-50.10	311.18	2.03	-48.07
CC1(C)CC(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662065	1	42	-1.0	-50.09	311.24	2.05	-48.04
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CCS1=O	REAL250004662066	0	40	-1.0	-51.46	306.31	2.63	-48.83
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CCS1=O	REAL250004662066	1	40	-1.0	-51.52	306.37	2.65	-48.87
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[C@@H]1O	REAL250004662067	0	39	-1.0	-48.64	311.06	0.60	-48.04
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[C@@H]1O	REAL250004662067	1	39	-1.0	-48.70	311.12	0.62	-48.08
O=C(CCCC1=NN=N[N-]1)NC1=NC=CC2=CC=CC=C21	REAL250004662068	0	34	-1.0	-54.37	292.28	5.42	-48.95
O=C(CCCC1=N[N-]N=N1)NC1=NC=CC2=CC=CC=C21	REAL250004662068	1	34	-1.0	-54.36	292.22	5.40	-48.96
CC1=NSC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662069	0	28	-1.0	-50.00	259.79	1.76	-48.24
CC1=NSC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662069	1	28	-1.0	-50.04	259.85	1.77	-48.27
CC1=NSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004662070	0	28	-1.0	-36.13	270.36	1.55	-34.58
CC1=NSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004662070	1	28	-1.0	-36.08	270.42	1.56	-34.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1C=CNC2=O	REAL250004662071	0	35	-1.0	-53.96	300.81	2.72	-51.24
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1C=CNC2=O	REAL250004662071	1	35	-1.0	-53.99	300.87	2.73	-51.26
CCS(=O)(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662073	0	35	-1.0	-58.01	310.41	0.53	-57.48
CCS(=O)(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662073	1	35	-1.0	-58.01	310.47	0.54	-57.47
O=C(CCCC1=N[N-]N=N1)NCCC1(CO)CC1	REAL250004662075	0	36	-1.0	-47.80	302.81	-0.07	-47.87
O=C(CCCC1=NN=N[N-]1)NCCC1(CO)CC1	REAL250004662075	1	36	-1.0	-47.84	302.86	-0.05	-47.89
O=C(NCCC1(CO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662076	0	36	-1.0	-36.85	313.40	-0.27	-37.12
O=C(NCCC1(CO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662076	1	36	-1.0	-36.77	313.47	-0.26	-37.03
COC(C(C)NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662078	0	39	-1.0	-46.50	316.40	2.69	-43.81
COC(C(C)NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662078	1	39	-1.0	-46.47	316.45	2.71	-43.76
CC(O)CN(CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004662079	0	35	-1.0	-50.56	293.41	1.74	-48.82
CC(O)CN(CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004662079	1	35	-1.0	-50.57	293.47	1.75	-48.82
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOC1	REAL250004662080	0	39	-1.0	-48.48	316.12	2.03	-46.45
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOC1	REAL250004662080	1	39	-1.0	-48.50	316.18	2.05	-46.45
CN(C(=O)CCCC1=N[N-]N=N1)C(CO)CC(C)(C)C	REAL250004662081	0	44	-1.0	-46.07	326.23	2.98	-43.09
CN(C(=O)CCCC1=NN=N[N-]1)C(CO)CC(C)(C)C	REAL250004662081	1	44	-1.0	-46.08	326.29	2.99	-43.09
COC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004662082	0	43	-1.0	-46.59	334.12	4.35	-42.24
COC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004662082	1	43	-1.0	-46.63	334.18	4.37	-42.26
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662083	0	33	-1.0	-37.59	276.86	0.66	-36.93
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662083	1	33	-1.0	-37.55	276.93	0.66	-36.89
CC(C)[C@@H]1C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662084	0	38	-1.0	-46.21	312.56	4.03	-42.18
CC(C)[C@@H]1C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662084	1	38	-1.0	-46.20	312.62	4.04	-42.16
CC(C)[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662085	0	38	-1.0	-34.68	323.16	3.81	-30.87
CC(C)[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662085	1	38	-1.0	-34.64	323.23	3.82	-30.82
O=C(N[C@@H]1COC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662086	0	31	-1.0	-37.62	276.30	-3.56	-41.18
O=C(N[C@@H]1COC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662086	1	31	-1.0	-37.57	276.37	-3.55	-41.12
CC(CC1=CN(C)N=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662087	0	38	-1.0	-51.99	323.63	2.96	-49.03
CC(CC1=CN(C)N=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662087	1	38	-1.0	-52.01	323.57	2.94	-49.07
O=C(CCCC1=N[N-]N=N1)NCC1CC2=CC=CC=C2O1	REAL250004662088	0	37	-1.0	-48.33	314.69	3.40	-44.93
O=C(CCCC1=NN=N[N-]1)NCC1CC2=CC=CC=C2O1	REAL250004662088	1	37	-1.0	-48.36	314.75	3.42	-44.94
O=C(NCC1CSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662089	0	30	-1.0	-36.66	277.81	1.95	-34.71
O=C(NCC1CSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662089	1	30	-1.0	-36.68	277.87	1.96	-34.72
CC1=CC=C(F)C(CCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662090	0	38	-1.0	-49.74	327.57	4.95	-44.79
CC1=CC=C(F)C(CCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662090	1	38	-1.0	-49.76	327.63	4.96	-44.80
CC(CC(N)=O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662091	0	32	-1.0	-45.17	286.80	-1.78	-46.95
CC(CC(N)=O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662091	1	32	-1.0	-45.21	286.87	-1.76	-46.97
CC(C)C1=C(NC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004662092	0	34	-1.0	-46.42	298.79	2.59	-43.83
CC(C)C1=C(NC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004662092	1	34	-1.0	-46.40	298.85	2.61	-43.79
O=C(CCCC1=N[N-]N=N1)NCCN1CC2CCC(C1)O2	REAL250004662093	0	42	-1.0	-47.80	328.32	0.48	-47.32
O=C(CCCC1=NN=N[N-]1)NCCN1CC2CCC(C1)O2	REAL250004662093	1	42	-1.0	-47.80	328.38	0.49	-47.31
COCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004662094	0	36	-1.0	-45.81	302.54	0.85	-44.96
COCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004662094	1	36	-1.0	-45.82	302.59	0.87	-44.95
COCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662095	0	36	-1.0	-36.95	313.13	0.66	-36.29
COCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662095	1	36	-1.0	-36.91	313.20	0.68	-36.23
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)OCCC2	REAL250004662096	0	36	-1.0	-55.29	303.00	3.67	-51.62
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)OCCC2	REAL250004662096	1	36	-1.0	-55.31	303.05	3.68	-51.63
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)N1CCO	REAL250004662097	1	44	-1.0	-48.30	328.90	-0.34	-48.64
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)N1CCO	REAL250004662097	1	44	-1.0	-48.31	328.95	-0.32	-48.63
O=C(CCCC1=N[N-]N=N1)N1CCCC2=CC=CC=C2CC1	REAL250004662098	0	42	-1.0	-47.10	322.37	7.18	-39.92
O=C(CCCC1=NN=N[N-]1)N1CCCC2=CC=CC=C2CC1	REAL250004662098	1	42	-1.0	-47.11	322.42	7.20	-39.91
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCC1	REAL250004662099	0	41	-1.0	-46.10	297.58	5.34	-40.76
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCC1	REAL250004662099	1	41	-1.0	-46.12	297.64	5.35	-40.77
CC(C)C1=CNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662101	0	35	-1.0	-53.64	296.16	3.00	-50.64
CC(C)C1=CNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662101	1	35	-1.0	-53.64	296.22	3.01	-50.63
C=CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662102	0	35	-1.0	-34.68	295.81	2.88	-31.80
C=CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662102	1	35	-1.0	-34.65	295.88	2.89	-31.76
CC(C)C1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662103	0	35	-1.0	-38.00	290.04	4.17	-33.83
CC(C)C1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662103	1	35	-1.0	-37.97	290.11	4.18	-33.79
CCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CO1	REAL250004662105	0	34	-1.0	-48.75	297.97	-0.44	-49.19
CCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CO1	REAL250004662105	1	34	-1.0	-48.75	298.03	-0.42	-49.17
CCC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004662106	0	34	-1.0	-38.74	308.56	-0.64	-39.38
CCC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004662106	1	34	-1.0	-38.72	308.63	-0.64	-39.36
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[C@H]1O	REAL250004662107	0	39	-1.0	-48.63	311.06	0.60	-48.03
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[C@H]1O	REAL250004662107	1	39	-1.0	-48.66	311.12	0.62	-48.04
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004662108	0	41	-1.0	-50.05	350.51	4.69	-45.36
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004662108	1	41	-1.0	-50.08	350.56	4.71	-45.37
N#CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662109	0	33	-1.0	-53.02	295.25	4.53	-48.49
N#CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662109	1	33	-1.0	-53.08	295.30	4.55	-48.53
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004662110	0	41	-1.0	-46.26	315.06	4.42	-41.84
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004662110	1	41	-1.0	-46.28	315.11	4.43	-41.85
CC1=CC=CC(Cl)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004662111	0	34	-1.0	-46.05	302.61	4.50	-41.55
CC1=CC=CC(Cl)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004662111	1	34	-1.0	-46.04	302.67	4.51	-41.53
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C(Cl)=C1	REAL250004662112	0	34	-1.0	-48.55	305.70	4.20	-44.35
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C(Cl)=C1	REAL250004662112	1	34	-1.0	-48.52	305.75	4.21	-44.31
CNC(=O)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662114	0	35	-1.0	-56.97	298.14	-0.11	-57.08
CNC(=O)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662114	1	35	-1.0	-56.94	298.20	-0.10	-57.04
CNC(=O)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662115	0	35	-1.0	-45.43	308.73	-0.30	-45.73
CNC(=O)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662115	1	35	-1.0	-45.47	308.80	-0.29	-45.76
CC(C)OC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662116	0	37	-1.0	-45.36	315.31	3.05	-42.31
CC(C)OC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662116	1	37	-1.0	-45.38	315.37	3.07	-42.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC2=N1	REAL250004662117	0	35	-1.0	-55.10	294.81	4.89	-50.21
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC2=N1	REAL250004662117	1	35	-1.0	-55.10	294.87	4.90	-50.20
COCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662118	0	40	-1.0	-48.63	323.19	1.12	-47.51
COCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662118	1	40	-1.0	-48.63	323.25	1.14	-47.49
C=C[C@@H]1OCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662119	0	34	-1.0	-46.60	287.62	1.33	-45.27
C=C[C@@H]1OCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662119	1	34	-1.0	-46.63	287.68	1.35	-45.28
C=C[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662120	0	34	-1.0	-35.10	298.21	1.13	-33.97
C=C[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662120	1	34	-1.0	-35.04	298.28	1.14	-33.90
CCC1(CNC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004662121	0	36	-1.0	-45.76	287.09	1.54	-44.22
CCC1(CNC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004662121	1	36	-1.0	-45.77	287.14	1.56	-44.21
CCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004662122	0	36	-1.0	-35.71	297.68	1.33	-34.38
CCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004662122	1	36	-1.0	-35.73	297.75	1.35	-34.38
O=C(CCCC1=N[N-]N=N1)NCC1(CF)CCOCC1	REAL250004662123	0	39	-1.0	-47.19	305.76	2.22	-44.97
O=C(CCCC1=NN=N[N-]1)NCC1(CF)CCOCC1	REAL250004662123	1	39	-1.0	-47.24	305.81	2.24	-45.00
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NNN=C21	REAL250004662124	0	31	-1.0	-47.02	272.43	0.63	-46.39
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NNN=C21	REAL250004662124	1	31	-1.0	-47.02	272.49	0.65	-46.37
CC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662125	0	33	-1.0	-50.46	285.39	0.85	-49.61
CC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662125	1	33	-1.0	-50.48	285.45	0.87	-49.61
CC1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662126	0	33	-1.0	-41.78	295.99	0.66	-41.12
CC1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662126	1	33	-1.0	-41.72	296.05	0.66	-41.06
CN1N=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004662127	0	33	-1.0	-48.02	284.39	2.72	-45.30
CN1N=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004662127	1	33	-1.0	-48.03	284.45	2.74	-45.29
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662128	0	31	-1.0	-37.00	273.67	5.18	-31.82
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662128	1	31	-1.0	-36.95	273.74	5.19	-31.76
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2NC=NC2=C1	REAL250004662129	0	35	-1.0	-52.43	304.77	3.12	-49.31
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2NC=NC2=C1	REAL250004662129	1	35	-1.0	-52.42	304.83	3.14	-49.28
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2N=CNC2=C1	REAL250004662129	1	35	-1.0	-51.08	304.79	3.12	-47.96
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2N=CNC2=C1	REAL250004662129	1	35	-1.0	-51.07	304.85	3.13	-47.94
O=C(CCCC1=N[N-]N=N1)N1CC(C2CS(=O)(=O)C2)C1	REAL250004662131	0	36	-1.0	-56.80	315.73	0.68	-56.12
O=C(CCCC1=NN=N[N-]1)N1CC(C2CS(=O)(=O)C2)C1	REAL250004662131	1	36	-1.0	-56.82	315.79	0.69	-56.13
CCC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662132	0	41	-1.0	-46.34	318.63	4.20	-42.14
CCC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662132	1	41	-1.0	-46.39	318.69	4.22	-42.17
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1(Cl)Cl	REAL250004662133	0	32	-1.0	-45.92	302.52	3.52	-42.40
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1(Cl)Cl	REAL250004662133	1	32	-1.0	-45.92	302.58	3.53	-42.39
CCOC(=O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662134	0	38	-1.0	-53.74	330.99	2.15	-51.59
CCOC(=O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662134	1	38	-1.0	-53.79	331.05	2.17	-51.62
CCOC(=O)C(C)(C)ONC(=O)CCCC1=N[N-]N=N1	REAL250004662135	0	38	-1.0	-57.49	325.21	4.57	-52.92
CCOC(=O)C(C)(C)ONC(=O)CCCC1=NN=N[N-]1	REAL250004662135	1	38	-1.0	-57.50	325.27	4.58	-52.92
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1(F)F	REAL250004662138	0	35	-1.0	-49.53	295.23	3.24	-46.29
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1(F)F	REAL250004662138	1	35	-1.0	-49.54	295.29	3.26	-46.28
CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004662139	0	42	-1.0	-47.80	330.86	4.25	-43.55
CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004662139	1	42	-1.0	-47.83	330.92	4.26	-43.57
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004662140	0	43	-1.0	-46.52	327.88	4.79	-41.73
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004662140	1	43	-1.0	-46.48	327.94	4.80	-41.68
O=C(CCCC1=N[N-]N=N1)N1CC2C3C=CC(O3)C2C1	REAL250004662141	0	36	-1.0	-48.61	291.14	3.11	-45.50
O=C(CCCC1=NN=N[N-]1)N1CC2C3C=CC(O3)C2C1	REAL250004662141	1	36	-1.0	-48.64	291.20	3.13	-45.51
CC(CC(C)(C)O)NC(=O)CCCC1=N[N-]N=N1	REAL250004662142	0	38	-1.0	-50.03	306.00	0.83	-49.20
CC(CC(C)(C)O)NC(=O)CCCC1=NN=N[N-]1	REAL250004662142	1	38	-1.0	-49.99	306.06	0.84	-49.15
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004662144	0	40	-1.0	-52.73	326.69	3.90	-48.83
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004662144	1	40	-1.0	-52.69	326.63	3.88	-48.81
O=C(CCCC1=N[N-]N=N1)N1CCN2CCC1C2	REAL250004662145	1	35	-1.0	-46.54	271.60	0.84	-45.70
O=C(CCCC1=NN=N[N-]1)N1CCN2CCC1C2	REAL250004662145	1	35	-1.0	-46.61	271.66	0.86	-45.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2CCC1C2	REAL250004662146	0	35	-1.0	-34.86	279.02	1.09	-33.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2CCC1C2	REAL250004662146	1	35	-1.0	-34.84	279.09	1.11	-33.73
O=C(CCCC1=NN=N[N-]1)NCCN1C=NN=C1	REAL250004662148	0	31	-1.0	-57.23	275.75	3.80	-53.43
O=C(CCCC1=N[N-]N=N1)NCCN1C=NN=C1	REAL250004662148	1	31	-1.0	-57.22	275.70	3.78	-53.44
O=C(NCCN1C=NN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662149	0	31	-1.0	-43.69	286.36	3.59	-40.10
O=C(NCCN1C=NN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662149	1	31	-1.0	-43.71	286.29	3.58	-40.13
CC(NNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004662150	0	30	-1.0	-48.36	272.74	1.07	-47.29
CC(NNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004662150	1	30	-1.0	-48.37	272.80	1.09	-47.28
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004662151	0	33	-1.0	-48.32	274.90	0.62	-47.70
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004662151	1	33	-1.0	-48.29	274.96	0.63	-47.66
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(=O)N1	REAL250004662152	0	33	-1.0	-40.12	282.30	0.88	-39.24
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(=O)N1	REAL250004662152	1	33	-1.0	-40.08	282.37	0.90	-39.18
O=C(CCCC1=N[N-]N=N1)N1CC(C2CC2)C1C1CC1	REAL250004662153	0	40	-1.0	-46.88	329.25	6.41	-40.47
O=C(CCCC1=NN=N[N-]1)N1CC(C2CC2)C1C1CC1	REAL250004662153	1	40	-1.0	-46.91	329.31	6.42	-40.49
CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662154	0	32	-1.0	-45.66	290.95	3.24	-42.42
CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662154	1	32	-1.0	-45.63	291.01	3.26	-42.37
CN1C=C(Cl)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662155	0	32	-1.0	-49.85	298.53	1.67	-48.18
CN1C=C(Cl)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662155	1	32	-1.0	-49.86	298.59	1.68	-48.18
O=C(NC[C@H]1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662156	0	33	-1.0	-36.82	286.90	0.50	-36.32
O=C(NC[C@H]1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662156	1	33	-1.0	-36.82	286.97	0.52	-36.30
CC1=C(CCNC(=O)CCCC2=N[N-]N=N2)SC=N1	REAL250004662157	0	34	-1.0	-50.13	304.56	2.00	-48.13
CC1=C(CCNC(=O)CCCC2=NN=N[N-]2)SC=N1	REAL250004662157	1	34	-1.0	-50.11	304.61	2.01	-48.10
COC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662158	0	35	-1.0	-36.45	304.48	0.85	-35.60
COC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662158	1	35	-1.0	-36.42	304.55	0.87	-35.55
CC(C)C1CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004662159	0	45	-1.0	-47.33	351.26	3.59	-43.74
CC(C)C1CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004662159	1	45	-1.0	-47.35	351.32	3.61	-43.74
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004662160	0	39	-1.0	-47.54	304.45	3.51	-44.03
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004662160	1	39	-1.0	-47.55	304.50	3.52	-44.03
COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004662161	0	42	-1.0	-47.40	323.57	4.10	-43.30
COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004662161	1	42	-1.0	-47.45	323.63	4.12	-43.33
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C(F)F)C1	REAL250004662162	0	33	-1.0	-52.47	287.01	0.40	-52.07
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C(F)F)C1	REAL250004662162	1	33	-1.0	-52.47	287.07	0.41	-52.06
O=C(CCCC1=N[N-]N=N1)N1CC2CC1C(=O)O2	REAL250004662163	0	30	-1.0	-57.03	260.90	2.75	-54.28
O=C(CCCC1=NN=N[N-]1)N1CC2CC1C(=O)O2	REAL250004662163	1	30	-1.0	-57.08	260.95	2.76	-54.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1C(=O)O2	REAL250004662164	0	30	-1.0	-42.95	268.13	2.82	-40.13
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1C(=O)O2	REAL250004662164	1	30	-1.0	-42.89	268.20	2.82	-40.07
CC(C)=CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662165	0	41	-1.0	-46.73	334.14	5.01	-41.72
CC(C)=CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662165	1	41	-1.0	-46.73	334.19	5.02	-41.71
C=C(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662166	0	32	-1.0	-34.99	285.69	2.24	-32.75
C=C(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662166	1	32	-1.0	-34.98	285.76	2.25	-32.73
CO[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662167	0	36	-1.0	-48.94	296.07	1.64	-47.30
CO[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662167	1	36	-1.0	-48.98	296.13	1.66	-47.32
CO[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662168	0	36	-1.0	-36.50	306.95	1.38	-35.12
CO[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662168	1	36	-1.0	-36.45	307.02	1.38	-35.07
O=C(CCCC1=N[N-]N=N1)NCC1=NN(CC(F)F)C=C1	REAL250004662169	0	35	-1.0	-50.20	316.48	2.32	-47.88
O=C(CCCC1=NN=N[N-]1)NCC1=NN(CC(F)F)C=C1	REAL250004662169	1	35	-1.0	-50.25	316.54	2.33	-47.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@H](F)C1	REAL250004662170	0	29	-1.0	-35.47	256.69	3.13	-32.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@H](F)C1	REAL250004662170	1	29	-1.0	-35.46	256.76	3.13	-32.33
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C1C=CC2CC1	REAL250004662171	0	41	-1.0	-46.76	312.60	5.78	-40.98
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C1C=CC2CC1	REAL250004662171	1	41	-1.0	-46.79	312.66	5.79	-41.00
O=C(CCCC1=N[N-]N=N1)NCC1CCOC2(CCC2)C1	REAL250004662172	0	43	-1.0	-47.51	338.03	3.38	-44.13
O=C(CCCC1=NN=N[N-]1)NCC1CCOC2(CCC2)C1	REAL250004662172	1	43	-1.0	-47.52	338.09	3.39	-44.13
CC(C)C(CO)C(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004662173	0	47	-1.0	-46.58	347.51	2.50	-44.08
CC(C)C(CO)C(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004662173	1	47	-1.0	-46.57	347.57	2.52	-44.05
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662174	0	37	-1.0	-48.60	305.90	2.19	-46.41
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662174	1	37	-1.0	-48.63	305.96	2.20	-46.43
CC1C(O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662175	0	36	-1.0	-49.32	280.15	1.09	-48.23
CC1C(O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662175	1	36	-1.0	-49.31	280.21	1.10	-48.21
CC1C(O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662176	0	36	-1.0	-38.00	287.79	1.36	-36.64
CC1C(O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662176	1	36	-1.0	-37.99	287.87	1.37	-36.62
CCC(C)C(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004662177	0	41	-1.0	-46.85	327.33	2.36	-44.49
CCC(C)C(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004662177	1	41	-1.0	-46.82	327.39	2.37	-44.45
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCC2=O	REAL250004662178	0	35	-1.0	-50.78	299.97	4.38	-46.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCC2=O	REAL250004662178	1	35	-1.0	-50.80	300.02	4.40	-46.40
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004662179	0	34	-1.0	-46.89	295.57	2.32	-44.57
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004662179	1	34	-1.0	-46.88	295.63	2.33	-44.55
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL250004662180	0	34	-1.0	-36.74	306.16	2.10	-34.64
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL250004662180	1	34	-1.0	-36.72	306.23	2.11	-34.61
C[C@H]1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662183	0	33	-1.0	-34.87	270.83	2.00	-32.87
C[C@H]1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662183	1	33	-1.0	-34.79	270.90	2.00	-32.79
CCN(C)C(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004662184	0	44	-1.0	-46.00	341.98	3.10	-42.90
CCN(C)C(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004662184	1	44	-1.0	-45.95	342.04	3.11	-42.84
CCC(C)(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004662185	0	38	-1.0	-45.55	300.57	1.47	-44.08
CCC(C)(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004662185	1	38	-1.0	-45.51	300.63	1.48	-44.03
CCC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004662186	0	38	-1.0	-35.57	311.16	1.26	-34.31
CCC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004662186	1	38	-1.0	-35.55	311.22	1.27	-34.28
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	REAL250004662187	0	33	-1.0	-57.13	284.83	-0.34	-57.47
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	REAL250004662187	1	33	-1.0	-57.12	284.89	-0.33	-57.45
CC1(CO)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662188	0	33	-1.0	-39.32	286.13	0.02	-39.30
CC1(CO)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662188	1	33	-1.0	-39.30	286.20	0.03	-39.27
CC(C)OC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662189	0	39	-1.0	-52.43	322.40	4.22	-48.21
CC(C)OC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662189	1	39	-1.0	-52.43	322.46	4.22	-48.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](F)[C@@H](F)C1	REAL250004662190	0	29	-1.0	-35.77	262.00	3.25	-32.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](F)[C@@H](F)C1	REAL250004662190	1	29	-1.0	-35.73	262.07	3.25	-32.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](F)C1	REAL250004662191	0	29	-1.0	-35.51	256.72	3.14	-32.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](F)C1	REAL250004662191	1	29	-1.0	-35.46	256.78	3.14	-32.32
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662192	0	32	-1.0	-35.15	280.16	2.52	-32.63
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662192	1	32	-1.0	-35.18	280.22	2.54	-32.64
CN1N=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662193	0	31	-1.0	-48.52	275.95	-0.33	-48.85
CN1N=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662193	1	31	-1.0	-48.55	276.01	-0.32	-48.87
CN1N=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004662194	0	31	-1.0	-38.72	286.54	-0.55	-39.27
CN1N=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004662194	1	31	-1.0	-38.71	286.61	-0.54	-39.25
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=CC=CC=C2)C1	REAL250004662195	0	42	-1.0	-48.49	333.94	7.03	-41.46
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=CC=CC=C2)C1	REAL250004662195	1	42	-1.0	-48.53	334.00	7.04	-41.49
CC(CCCCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004662196	0	38	-1.0	-48.32	314.85	0.46	-47.86
CC(CCCCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004662196	1	38	-1.0	-48.32	314.90	0.47	-47.85
CC(C)CC1(C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662197	0	44	-1.0	-48.28	325.60	6.47	-41.81
CC(C)CC1(C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662197	1	44	-1.0	-48.31	325.66	6.48	-41.83
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCC1O	REAL250004662198	0	43	-1.0	-49.97	327.03	3.29	-46.68
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCC1O	REAL250004662198	1	43	-1.0	-49.97	327.08	3.30	-46.67
CN(C)C(=O)OC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662199	0	40	-1.0	-50.76	332.47	3.00	-47.76
CN(C)C(=O)OC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662199	1	40	-1.0	-50.80	332.53	3.01	-47.79
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662200	0	32	-1.0	-35.70	281.85	2.58	-33.12
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662200	1	32	-1.0	-35.68	281.92	2.58	-33.10
CCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004662201	0	36	-1.0	-52.92	304.05	1.58	-51.34
CCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004662201	1	36	-1.0	-52.88	304.11	1.60	-51.28
C#CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662202	0	38	-1.0	-48.53	336.22	4.26	-44.27
C#CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662202	1	38	-1.0	-48.53	336.28	4.27	-44.26
CC(C)OC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004662203	0	43	-1.0	-44.64	343.75	4.27	-40.37
CC(C)OC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004662203	1	43	-1.0	-44.67	343.81	4.28	-40.39
O=C(CCCC1=N[N-]N=N1)NC(C(CO)C1CC1)C1CC1	REAL250004662204	0	43	-1.0	-46.14	333.32	2.84	-43.30
O=C(CCCC1=NN=N[N-]1)NC(C(CO)C1CC1)C1CC1	REAL250004662204	1	43	-1.0	-46.13	333.38	2.85	-43.28
CC1=CC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662205	0	34	-1.0	-47.08	291.55	2.22	-44.86
CC1=CC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662205	1	34	-1.0	-47.10	291.61	2.23	-44.87
CC1=CC=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662206	0	34	-1.0	-36.70	302.10	2.25	-34.45
CC1=CC=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662206	1	34	-1.0	-36.69	302.17	2.25	-34.44
COCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662207	0	39	-1.0	-46.71	316.56	3.09	-43.62
COCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662207	1	39	-1.0	-46.74	316.62	3.11	-43.63
CS(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662208	0	34	-1.0	-59.16	305.49	1.94	-57.22
CS(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662208	1	34	-1.0	-59.23	305.55	1.96	-57.27
CC(C)OCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662209	0	41	-1.0	-49.50	334.57	4.13	-45.37
CC(C)OCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662209	1	41	-1.0	-49.54	334.62	4.15	-45.39
CCN(CC(C)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004662210	0	38	-1.0	-45.26	308.88	3.39	-41.87
CCN(CC(C)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004662210	1	38	-1.0	-45.26	308.94	3.41	-41.85
CCN(CC(C)OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662211	0	38	-1.0	-38.27	315.16	4.35	-33.92
CCN(CC(C)OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662211	1	38	-1.0	-38.21	315.23	4.37	-33.84
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C(F)F	REAL250004662212	0	35	-1.0	-48.16	305.40	4.58	-43.58
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C(F)F	REAL250004662212	1	35	-1.0	-48.15	305.46	4.59	-43.56
CCCC(C)C(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662213	0	44	-1.0	-49.65	359.44	1.70	-47.95
CCCC(C)C(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662213	1	44	-1.0	-49.68	359.50	1.71	-47.97
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=CN=C12	REAL250004662214	0	33	-1.0	-59.13	282.39	2.46	-56.67
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=CN=C12	REAL250004662214	1	33	-1.0	-59.18	282.44	2.47	-56.71
O=C(NC1CCN2C=CN=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662215	0	33	-1.0	-45.48	292.69	2.23	-43.25
O=C(NC1CCN2C=CN=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662215	1	33	-1.0	-45.44	292.76	2.25	-43.19
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)C=C1	REAL250004662216	0	31	-1.0	-49.73	276.62	-0.77	-50.50
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)C=C1	REAL250004662216	1	31	-1.0	-49.79	276.68	-0.75	-50.54
O=C(NCC1=NNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662217	0	31	-1.0	-42.15	287.22	-0.97	-43.12
O=C(NCC1=NNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662217	1	31	-1.0	-42.16	287.28	-0.97	-43.13
CC1=CC([C@@H](C)NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004662218	0	38	-1.0	-46.78	323.31	5.01	-41.77
CC1=CC([C@@H](C)NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004662218	1	38	-1.0	-46.75	323.37	5.03	-41.72
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CC2)=N1	REAL250004662219	0	35	-1.0	-54.84	299.03	5.06	-49.78
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CC2)=N1	REAL250004662219	1	35	-1.0	-54.82	299.08	5.08	-49.74
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662220	0	32	-1.0	-35.09	275.95	2.41	-32.68
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662220	1	32	-1.0	-35.06	276.02	2.43	-32.63
CC1=C(C2CC2)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662221	0	35	-1.0	-46.12	311.01	4.56	-41.56
CC1=C(C2CC2)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662221	1	35	-1.0	-46.15	311.06	4.58	-41.57
O=C(CCCC1=N[N-]N=N1)NC1=NC(CCO)=CS1	REAL250004662222	0	32	-1.0	-46.10	291.84	-0.46	-46.56
O=C(CCCC1=NN=N[N-]1)NC1=NC(CCO)=CS1	REAL250004662222	1	32	-1.0	-46.11	291.90	-0.45	-46.56
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004662223	0	32	-1.0	-39.86	288.61	0.88	-38.98
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004662223	1	32	-1.0	-39.80	288.68	0.89	-38.91
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004662224	0	40	-1.0	-47.01	338.51	0.95	-46.06
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004662224	1	40	-1.0	-47.04	338.57	0.96	-46.08
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1	REAL250004662225	0	32	-1.0	-39.85	288.61	0.88	-38.97
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1	REAL250004662225	1	32	-1.0	-39.82	288.67	0.89	-38.93
CC1=CC=C2CCC[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004662226	0	42	-1.0	-48.98	333.75	5.84	-43.14
CC1=CC=C2CCC[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004662226	1	42	-1.0	-48.97	333.81	5.85	-43.12
C=CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662227	0	39	-1.0	-48.72	331.71	5.34	-43.38
C=CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662227	1	39	-1.0	-48.71	331.76	5.35	-43.36
CCC1=NOC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662228	0	37	-1.0	-50.37	314.28	4.69	-45.68
CCC1=NOC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662228	1	37	-1.0	-50.33	314.34	4.71	-45.62
O=C(CCCC1=N[N-]N=N1)NCCC1=NN=CN1	REAL250004662229	0	31	-1.0	-58.99	274.58	1.66	-57.33
O=C(CCCC1=NN=N[N-]1)NCCC1=NN=CN1	REAL250004662229	1	31	-1.0	-59.00	274.63	1.68	-57.32
O=C(NCCC1=NN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662230	0	31	-1.0	-44.96	285.17	1.46	-43.50
O=C(NCCC1=NN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662230	1	31	-1.0	-44.92	285.24	1.47	-43.45
CC(C)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662231	0	35	-1.0	-35.55	296.31	3.08	-32.47
CC(C)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662231	1	35	-1.0	-35.54	296.38	3.08	-32.46
CC1=CC=CC=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662232	0	41	-1.0	-45.25	317.57	5.66	-39.59
CC1=CC=CC=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662232	1	41	-1.0	-45.26	317.62	5.67	-39.59
O=C(CCCC1=N[N-]N=N1)N1CCC=C(C2=CC=CC=N2)C1	REAL250004662235	0	39	-1.0	-50.09	320.69	5.47	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCC=C(C2=CC=CC=N2)C1	REAL250004662235	1	39	-1.0	-50.11	320.75	5.48	-44.63
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCC1	REAL250004662236	0	39	-1.0	-45.96	316.69	1.13	-44.83
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCC1	REAL250004662236	1	39	-1.0	-45.97	316.74	1.15	-44.82
CC1=NC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662237	0	36	-1.0	-46.80	309.72	2.48	-44.32
CC1=NC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662237	1	36	-1.0	-46.79	309.78	2.50	-44.29
CCC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662238	0	35	-1.0	-37.20	293.60	3.87	-33.33
CCC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662238	1	35	-1.0	-37.14	293.67	3.87	-33.27
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12CCCC2	REAL250004662239	0	45	-1.0	-46.79	334.48	5.73	-41.06
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12CCCC2	REAL250004662239	1	45	-1.0	-46.79	334.54	5.74	-41.05
O=C(NCC=CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662240	0	33	-1.0	-34.88	296.26	3.25	-31.63
O=C(NCC=CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662240	1	33	-1.0	-34.89	296.33	3.26	-31.63
CN1C(Cl)=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662241	0	32	-1.0	-46.66	296.03	2.19	-44.47
CN1C(Cl)=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662241	1	32	-1.0	-46.67	296.09	2.20	-44.47
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC1CC2	REAL250004662242	0	39	-1.0	-46.56	299.32	4.23	-42.33
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC1CC2	REAL250004662242	1	39	-1.0	-46.60	299.38	4.24	-42.36
O=C(NC1CC2CCC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662243	0	39	-1.0	-35.03	309.89	4.04	-30.99
O=C(NC1CC2CCC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662243	1	39	-1.0	-35.00	309.96	4.04	-30.96
CCNC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662244	0	37	-1.0	-51.02	316.32	-1.70	-52.72
CCNC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662244	1	37	-1.0	-50.99	316.38	-1.69	-52.68
O=C(CCCC1=N[N-]N=N1)NCC1=COC2=CC=CC=C12	REAL250004662245	0	35	-1.0	-48.05	307.00	3.84	-44.21
O=C(CCCC1=NN=N[N-]1)NCC1=COC2=CC=CC=C12	REAL250004662245	1	35	-1.0	-48.05	307.06	3.85	-44.20
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN2CCOC1C2	REAL250004662246	0	42	-1.0	-48.74	307.09	0.48	-48.26
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN2CCOC1C2	REAL250004662246	1	42	-1.0	-48.75	307.14	0.50	-48.25
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004662247	0	31	-1.0	-34.09	282.50	2.26	-31.83
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004662247	1	31	-1.0	-34.06	282.56	2.28	-31.78
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004662248	0	35	-1.0	-54.68	306.42	-1.02	-55.70
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004662248	1	35	-1.0	-54.67	306.48	-1.01	-55.68
CC(C)OCCONC(=O)CCCC1=N[N-]N=N1	REAL250004662249	0	36	-1.0	-53.40	308.30	2.57	-50.83
CC(C)OCCONC(=O)CCCC1=NN=N[N-]1	REAL250004662249	1	36	-1.0	-53.43	308.36	2.58	-50.85
CC(C)OCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662250	0	36	-1.0	-38.71	318.89	2.37	-36.34
CC(C)OCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662250	1	36	-1.0	-38.69	318.96	2.37	-36.32
CC1(C)CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662251	0	41	-1.0	-46.26	318.21	4.04	-42.22
CC1(C)CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662251	1	41	-1.0	-46.29	318.27	4.05	-42.24
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662252	0	42	-1.0	-47.09	337.63	2.76	-44.33
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662252	1	42	-1.0	-47.14	337.69	2.77	-44.37
CC(CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662253	0	38	-1.0	-48.13	309.39	-0.19	-48.32
CC(CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662253	1	38	-1.0	-48.17	309.45	-0.18	-48.35
CC(CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662254	0	38	-1.0	-37.05	319.98	-0.40	-37.45
CC(CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662254	1	38	-1.0	-37.08	320.05	-0.39	-37.47
CC1(F)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662255	0	35	-1.0	-50.46	282.90	4.23	-46.23
CC1(F)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662255	1	35	-1.0	-50.48	282.96	4.24	-46.24
CC1(F)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662256	0	35	-1.0	-37.89	290.62	4.48	-33.41
CC1(F)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662256	1	35	-1.0	-37.92	290.68	4.49	-33.43
O=C(NC(CF)CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662257	0	28	-1.0	-40.92	260.49	1.33	-39.59
O=C(NC(CF)CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662257	1	28	-1.0	-40.85	260.56	1.35	-39.50
COC1COCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662258	0	40	-1.0	-48.58	323.93	0.54	-48.04
COC1COCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662258	1	40	-1.0	-48.64	323.99	0.55	-48.09
O=C(CCCC1=N[N-]N=N1)N1CC2(CCCO2)C1C1CC1	REAL250004662259	0	41	-1.0	-52.78	328.90	4.82	-47.96
O=C(CCCC1=NN=N[N-]1)N1CC2(CCCO2)C1C1CC1	REAL250004662259	1	41	-1.0	-52.82	328.96	4.83	-47.99
O=C(CCCC1=N[N-]N=N1)NC12CCC(F)(CC1)CC2	REAL250004662260	0	39	-1.0	-47.20	301.32	3.98	-43.22
O=C(CCCC1=NN=N[N-]1)NC12CCC(F)(CC1)CC2	REAL250004662260	1	39	-1.0	-47.22	301.38	3.99	-43.23
CC(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662261	0	31	-1.0	-36.57	278.62	1.87	-34.70
CC(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662261	1	31	-1.0	-36.58	278.69	1.88	-34.70
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=C(F)C=C1	REAL250004662262	0	36	-1.0	-46.22	311.81	1.20	-45.02
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=C(F)C=C1	REAL250004662262	1	36	-1.0	-46.23	311.86	1.22	-45.01
CC[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004662263	0	32	-1.0	-40.74	278.53	-2.13	-42.87
CC[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004662263	1	32	-1.0	-40.74	278.60	-2.13	-42.87
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=CN=C1Cl	REAL250004662264	0	31	-1.0	-46.23	295.01	2.14	-44.09
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=CN=C1Cl	REAL250004662264	1	31	-1.0	-46.22	294.96	2.13	-44.09
CCCC(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004662265	0	38	-1.0	-46.74	313.47	1.95	-44.79
CCCC(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004662265	1	38	-1.0	-46.79	313.53	1.96	-44.83
CCCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004662266	0	38	-1.0	-35.52	324.07	1.74	-33.78
CCCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004662266	1	38	-1.0	-35.50	324.14	1.74	-33.76
CN(CC(C)(C)C#N)C(=O)CCCC1=N[N-]N=N1	REAL250004662267	0	35	-1.0	-49.14	285.71	4.05	-45.09
CN(CC(C)(C)C#N)C(=O)CCCC1=NN=N[N-]1	REAL250004662267	1	35	-1.0	-49.15	285.77	4.06	-45.09
CN(CC(C)(C)C#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662268	0	35	-1.0	-36.91	293.83	4.43	-32.48
CN(CC(C)(C)C#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662268	1	35	-1.0	-36.87	293.90	4.44	-32.43
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCC2)CC1	REAL250004662269	0	42	-1.0	-46.39	314.75	5.73	-40.66
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCC2)CC1	REAL250004662269	1	42	-1.0	-46.43	314.81	5.75	-40.68
CSCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662270	0	39	-1.0	-47.60	320.34	5.33	-42.27
CSCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662270	1	39	-1.0	-47.60	320.40	5.34	-42.26
CC[C@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662271	0	32	-1.0	-36.26	283.00	-1.48	-37.74
CC[C@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662271	1	32	-1.0	-36.27	283.07	-1.47	-37.74
CN1N=CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C21	REAL250004662272	0	38	-1.0	-49.32	328.48	3.46	-45.86
CN1N=CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C21	REAL250004662272	1	38	-1.0	-49.29	328.43	3.44	-45.85
COCCC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662273	0	40	-1.0	-49.51	314.89	1.50	-48.01
COCCC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662273	1	40	-1.0	-49.54	314.95	1.51	-48.03
COC1=CC=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662274	0	35	-1.0	-48.65	302.76	1.05	-47.60
COC1=CC=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662274	1	35	-1.0	-48.66	302.82	1.06	-47.60
CCNC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004662275	0	41	-1.0	-46.49	328.81	1.21	-45.28
CCNC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004662275	1	41	-1.0	-46.51	328.87	1.23	-45.28
CC(CO)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662276	0	36	-1.0	-49.11	295.25	-3.71	-52.82
CC(CO)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662276	1	36	-1.0	-49.13	295.31	-3.70	-52.83
O=C(NC1=CNNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662278	0	27	-1.0	-42.69	253.20	-2.17	-44.86
O=C(NC1=CNNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662278	1	27	-1.0	-42.69	253.27	-2.17	-44.86
O=C(CCCC1=N[N-]N=N1)NC1=C(O)C=CC=C1Cl	REAL250004662279	0	30	-1.0	-51.09	284.30	1.30	-49.79
O=C(CCCC1=NN=N[N-]1)NC1=C(O)C=CC=C1Cl	REAL250004662279	1	30	-1.0	-51.08	284.36	1.31	-49.77
CN1N=NC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004662280	0	30	-1.0	-49.16	267.62	0.27	-48.89
CN1N=NC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004662280	1	30	-1.0	-49.16	267.67	0.28	-48.88
CN1N=NC=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662281	0	30	-1.0	-38.12	278.21	0.04	-38.08
CN1N=NC=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662281	1	30	-1.0	-38.10	278.27	0.04	-38.06
O=C(CCCC1=N[N-]N=N1)N1CCOC(F)(F)C1	REAL250004662282	0	30	-1.0	-49.12	259.90	1.44	-47.68
O=C(CCCC1=NN=N[N-]1)N1CCOC(F)(F)C1	REAL250004662282	1	30	-1.0	-49.10	259.96	1.45	-47.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(F)(F)C1	REAL250004662283	0	30	-1.0	-36.00	267.41	1.67	-34.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(F)(F)C1	REAL250004662283	1	30	-1.0	-35.99	267.48	1.68	-34.31
CCC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004662284	0	34	-1.0	-50.71	296.55	1.40	-49.31
CCC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004662284	1	34	-1.0	-50.69	296.61	1.42	-49.27
CCC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004662285	0	34	-1.0	-41.46	307.14	1.20	-40.26
CCC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004662285	1	34	-1.0	-41.45	307.21	1.20	-40.25
CC(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004662286	0	37	-1.0	-50.01	315.83	1.97	-48.04
CC(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004662286	1	37	-1.0	-50.02	315.88	1.98	-48.04
CSCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662287	0	42	-1.0	-48.53	344.97	4.90	-43.63
CSCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662287	1	42	-1.0	-48.56	345.03	4.92	-43.64
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004662288	0	41	-1.0	-48.64	329.26	7.31	-41.33
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004662288	1	41	-1.0	-48.66	329.32	7.32	-41.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=N1	REAL250004662289	0	32	-1.0	-58.09	288.69	2.55	-55.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=N1	REAL250004662289	1	32	-1.0	-58.05	288.63	2.54	-55.51
CCC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004662290	0	37	-1.0	-47.27	318.60	0.38	-46.89
CCC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004662290	1	37	-1.0	-47.26	318.66	0.39	-46.87
CC1(C)CCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662291	0	42	-1.0	-47.43	324.66	1.23	-46.20
CC1(C)CCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662291	1	42	-1.0	-47.45	324.72	1.24	-46.21
CCC1(CC)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662292	0	38	-1.0	-47.69	304.29	4.55	-43.14
CCC1(CC)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662292	1	38	-1.0	-47.69	304.35	4.57	-43.12
CCC1(CC)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662293	0	38	-1.0	-36.89	312.29	4.47	-32.42
CCC1(CC)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662293	1	38	-1.0	-36.87	312.36	4.48	-32.39
COC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662294	0	39	-1.0	-47.00	301.49	3.10	-43.90
COC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662294	1	39	-1.0	-46.98	301.54	3.11	-43.87
CC(C)C1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662295	0	45	-1.0	-46.94	330.54	2.59	-44.35
CC(C)C1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662295	1	45	-1.0	-46.92	330.60	2.61	-44.31
COC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662296	0	39	-1.0	-45.76	306.86	2.02	-43.74
COC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662296	1	39	-1.0	-45.81	306.92	2.03	-43.78
O=C(NOCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662297	0	30	-1.0	-36.23	274.81	2.94	-33.29
O=C(NOCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662297	1	30	-1.0	-36.25	274.88	2.94	-33.31
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(F)C(CO)C1	REAL250004662298	0	36	-1.0	-48.47	296.76	1.10	-47.37
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(F)C(CO)C1	REAL250004662298	1	36	-1.0	-48.48	296.82	1.12	-47.36
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(O)C=CC=C21	REAL250004662299	0	37	-1.0	-49.85	312.97	1.87	-47.98
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(O)C=CC=C21	REAL250004662299	1	37	-1.0	-49.82	313.03	1.88	-47.94
COCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662300	0	34	-1.0	-50.54	291.75	-1.06	-51.60
COCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662300	1	34	-1.0	-50.53	291.80	-1.04	-51.57
COCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662301	0	34	-1.0	-40.10	299.38	-0.96	-41.06
COCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662301	1	34	-1.0	-40.04	299.44	-0.94	-40.98
C=CCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662302	0	33	-1.0	-39.02	298.01	5.22	-33.80
C=CCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662302	1	33	-1.0	-39.01	298.08	5.22	-33.79
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CC2CCC1C2	REAL250004662303	0	43	-1.0	-47.17	330.47	1.74	-45.43
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CC2CCC1C2	REAL250004662303	1	43	-1.0	-47.16	330.52	1.76	-45.40
CC1=C(CN(C)C(=O)CCCC2=N[N-]N=N2)OC=C1	REAL250004662304	0	35	-1.0	-47.26	294.88	4.34	-42.92
CC1=C(CN(C)C(=O)CCCC2=NN=N[N-]2)OC=C1	REAL250004662304	1	35	-1.0	-47.25	294.94	4.36	-42.89
CC1=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL250004662305	0	35	-1.0	-39.29	301.36	4.62	-34.67
CC1=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL250004662305	1	35	-1.0	-39.30	301.43	4.63	-34.67
O=C(CCCC1=N[N-]N=N1)N1CCOCC(C2CCC2)C1	REAL250004662306	0	43	-1.0	-49.81	331.57	4.81	-45.00
O=C(CCCC1=NN=N[N-]1)N1CCOCC(C2CCC2)C1	REAL250004662306	1	43	-1.0	-49.78	331.63	4.82	-44.96
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCCO2	REAL250004662307	0	41	-1.0	-48.22	313.93	3.09	-45.13
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCCO2	REAL250004662307	1	41	-1.0	-48.24	313.99	3.10	-45.14
CC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662308	0	34	-1.0	-48.11	295.54	2.30	-45.81
CC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662308	1	34	-1.0	-48.12	295.60	2.31	-45.81
CC1=CC=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004662309	0	34	-1.0	-37.79	306.14	2.09	-35.70
CC1=CC=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004662309	1	34	-1.0	-37.73	306.20	2.09	-35.64
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004662310	0	42	-1.0	-47.16	323.28	4.80	-42.36
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004662310	1	42	-1.0	-47.22	323.33	4.82	-42.40
CCN(CC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004662311	0	40	-1.0	-46.48	306.38	5.33	-41.15
CCN(CC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004662311	1	40	-1.0	-46.47	306.44	5.34	-41.13
CCN(CC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662312	0	40	-1.0	-35.68	313.25	6.03	-29.65
CCN(CC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662312	1	40	-1.0	-35.61	313.31	6.04	-29.57
O=C(NOCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662313	0	33	-1.0	-35.87	296.25	3.72	-32.15
O=C(NOCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662313	1	33	-1.0	-35.83	296.32	3.73	-32.10
CC(F)(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662314	0	28	-1.0	-36.63	263.57	1.25	-35.38
CC(F)(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662314	1	28	-1.0	-36.67	263.64	1.26	-35.41
CCOC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004662315	0	42	-1.0	-45.31	330.42	3.00	-42.31
CCOC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004662315	1	42	-1.0	-45.31	330.48	3.02	-42.29
CC1=CC=CC=C1CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662316	0	41	-1.0	-49.69	334.05	6.83	-42.86
CC1=CC=CC=C1CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662316	1	41	-1.0	-49.69	334.11	6.85	-42.84
C=CCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662317	0	38	-1.0	-45.98	305.71	3.79	-42.19
C=CCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662317	1	38	-1.0	-45.97	305.77	3.81	-42.16
C=CCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662318	0	38	-1.0	-34.71	316.31	3.58	-31.13
C=CCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662318	1	38	-1.0	-34.72	316.37	3.60	-31.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=O)CCCC2=C1	REAL250004662319	0	38	-1.0	-54.39	317.67	4.96	-49.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=O)CCCC2=C1	REAL250004662319	1	38	-1.0	-54.40	317.72	4.98	-49.42
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=O)CCC2=C1	REAL250004662320	0	35	-1.0	-49.37	301.26	4.34	-45.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=O)CCC2=C1	REAL250004662320	1	35	-1.0	-49.36	301.32	4.35	-45.01
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004662321	0	35	-1.0	-49.02	309.80	4.79	-44.23
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004662321	1	35	-1.0	-49.01	309.86	4.80	-44.21
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)CCCC2	REAL250004662322	0	38	-1.0	-52.99	312.00	5.53	-47.46
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)CCCC2	REAL250004662322	1	38	-1.0	-53.03	312.06	5.54	-47.49
CC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662323	0	37	-1.0	-52.39	319.60	3.86	-48.53
CC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662323	1	37	-1.0	-52.40	319.66	3.88	-48.52
CC(C)N1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004662324	0	37	-1.0	-50.94	316.15	1.35	-49.59
CC(C)N1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004662324	1	37	-1.0	-50.97	316.20	1.36	-49.61
CON(CC1CC2CCC1C2)C(=O)CCCC1=N[N-]N=N1	REAL250004662326	0	43	-1.0	-44.94	335.66	5.99	-38.95
CON(CC1CC2CCC1C2)C(=O)CCCC1=NN=N[N-]1	REAL250004662326	1	43	-1.0	-44.93	335.72	6.01	-38.92
CC(C)(C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662327	0	43	-1.0	-46.22	317.24	3.80	-42.42
CC(C)(C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662327	1	43	-1.0	-46.24	317.30	3.81	-42.43
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL250004662328	0	42	-1.0	-47.05	345.79	6.41	-40.64
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL250004662328	1	42	-1.0	-47.06	345.84	6.42	-40.64
CC(F)(F)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662329	0	34	-1.0	-47.37	294.79	2.92	-44.45
CC(F)(F)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662329	1	34	-1.0	-47.40	294.84	2.94	-44.46
CC(F)(F)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662330	0	34	-1.0	-37.51	305.38	2.72	-34.79
CC(F)(F)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662330	1	34	-1.0	-37.50	305.45	2.73	-34.77
CCOC(=O)C(F)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662331	0	38	-1.0	-53.70	327.07	4.30	-49.40
CCOC(=O)C(F)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662331	1	38	-1.0	-53.72	327.13	4.32	-49.40
CCC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662332	0	32	-1.0	-34.88	285.34	2.43	-32.45
CCC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662332	1	32	-1.0	-34.84	285.41	2.44	-32.40
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)N1	REAL250004662333	0	35	-1.0	-50.24	305.50	2.29	-47.95
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)N1	REAL250004662333	1	35	-1.0	-50.28	305.55	2.31	-47.97
CC(C)(CO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662334	0	38	-1.0	-49.06	305.25	-0.31	-49.37
CC(C)(CO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662334	1	38	-1.0	-49.08	305.31	-0.29	-49.37
CC(C)(CO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662335	0	38	-1.0	-36.81	315.84	-0.51	-37.32
CC(C)(CO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662335	1	38	-1.0	-36.79	315.91	-0.50	-37.29
CC(CCCO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662336	0	38	-1.0	-47.93	310.70	0.04	-47.89
CC(CCCO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662336	1	38	-1.0	-47.92	310.76	0.05	-47.87
CC(CCCO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662337	0	38	-1.0	-37.05	321.29	-0.17	-37.22
CC(CCCO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662337	1	38	-1.0	-37.05	321.36	-0.16	-37.21
O=C(CCCC1=N[N-]N=N1)NC1CCCSC1	REAL250004662338	0	33	-1.0	-49.34	281.70	2.86	-46.48
O=C(CCCC1=NN=N[N-]1)NC1CCCSC1	REAL250004662338	1	33	-1.0	-49.35	281.76	2.88	-46.47
O=C(NC1CCCSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662339	0	33	-1.0	-36.42	292.29	2.66	-33.76
O=C(NC1CCCSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662339	1	33	-1.0	-36.41	292.36	2.68	-33.73
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004662340	0	34	-1.0	-48.32	285.50	0.93	-47.39
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004662340	1	34	-1.0	-48.36	285.56	0.94	-47.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004662341	0	34	-1.0	-37.61	292.73	1.18	-36.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2[C@H](CO)[C@H]2C1	REAL250004662341	1	34	-1.0	-37.19	292.75	1.21	-35.98
CCOC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662342	0	33	-1.0	-36.26	290.27	1.93	-34.33
CCOC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662342	1	33	-1.0	-36.22	290.34	1.94	-34.28
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1CC1	REAL250004662343	0	33	-1.0	-46.78	287.44	1.48	-45.30
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1CC1	REAL250004662343	1	33	-1.0	-46.78	287.49	1.49	-45.29
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOCC1	REAL250004662345	0	42	-1.0	-47.99	334.00	2.81	-45.18
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOCC1	REAL250004662345	1	42	-1.0	-48.09	334.06	2.83	-45.26
CC1(F)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662346	0	32	-1.0	-35.51	282.91	2.33	-33.18
CC1(F)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662346	1	32	-1.0	-35.47	282.98	2.33	-33.14
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1	REAL250004662347	0	38	-1.0	-47.65	294.75	6.22	-41.43
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1	REAL250004662347	1	38	-1.0	-47.67	294.81	6.24	-41.43
CN(CC(C)(C)CO)C(=O)CCCC1=N[N-]N=N1	REAL250004662348	0	38	-1.0	-49.13	295.77	1.24	-47.89
CN(CC(C)(C)CO)C(=O)CCCC1=NN=N[N-]1	REAL250004662348	1	38	-1.0	-49.16	295.83	1.25	-47.91
CN(CC(C)(C)CO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662349	0	38	-1.0	-37.85	303.90	1.63	-36.22
CN(CC(C)(C)CO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662349	1	38	-1.0	-37.83	303.96	1.64	-36.19
CC1(C)OCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004662350	0	36	-1.0	-45.63	290.71	1.77	-43.86
CC1(C)OCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004662350	1	36	-1.0	-45.60	290.77	1.78	-43.82
CC1(C)OCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662351	0	36	-1.0	-34.97	301.25	1.60	-33.37
CC1(C)OCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662351	1	36	-1.0	-34.97	301.31	1.60	-33.37
CC1=CC=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004662352	0	35	-1.0	-47.34	300.10	5.46	-41.88
CC1=CC=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004662352	1	35	-1.0	-47.31	300.16	5.47	-41.84
CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)NC2=C1	REAL250004662352	1	35	-1.0	-47.44	300.11	5.46	-41.98
CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)NC2=C1	REAL250004662352	1	35	-1.0	-47.53	300.17	5.47	-42.06
CCOC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662353	0	38	-1.0	-47.62	321.28	3.20	-44.42
CCOC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662353	1	38	-1.0	-47.60	321.34	3.21	-44.39
COC[C@@H](C(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662354	0	36	-1.0	-49.83	298.38	-1.30	-51.13
COC[C@@H](C(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662354	1	36	-1.0	-49.82	298.44	-1.29	-51.11
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)CCC2	REAL250004662355	0	35	-1.0	-53.34	294.73	4.96	-48.38
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)CCC2	REAL250004662355	1	35	-1.0	-53.37	294.78	4.97	-48.40
CC1CCCC1(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662356	0	39	-1.0	-47.50	310.97	0.96	-46.54
CC1CCCC1(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662356	1	39	-1.0	-47.52	311.02	0.97	-46.55
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662357	0	36	-1.0	-47.09	300.01	1.72	-45.37
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662357	1	36	-1.0	-47.09	300.07	1.74	-45.35
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662358	0	36	-1.0	-35.47	311.08	1.87	-33.60
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662358	1	36	-1.0	-35.42	311.15	1.87	-33.55
CC1=NC=CN=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662359	0	36	-1.0	-51.98	307.56	1.05	-50.93
CC1=NC=CN=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662359	1	36	-1.0	-51.99	307.61	1.07	-50.92
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)C1CC1	REAL250004662360	0	42	-1.0	-47.38	349.63	6.29	-41.09
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)C1CC1	REAL250004662360	1	42	-1.0	-47.36	349.69	6.30	-41.06
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCCO1	REAL250004662361	0	37	-1.0	-48.28	310.44	1.31	-46.97
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCCO1	REAL250004662361	1	37	-1.0	-48.28	310.50	1.32	-46.96
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1(F)F	REAL250004662362	0	38	-1.0	-48.25	308.50	4.16	-44.09
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1(F)F	REAL250004662362	1	38	-1.0	-48.25	308.56	4.18	-44.07
CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004662363	0	38	-1.0	-46.77	293.63	3.96	-42.81
CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004662363	1	38	-1.0	-46.76	293.69	3.97	-42.79
CCN1C=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662364	0	38	-1.0	-46.74	318.88	3.40	-43.34
CCN1C=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662364	1	38	-1.0	-46.78	318.93	3.41	-43.37
CCCN(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004662365	0	35	-1.0	-52.49	295.39	0.66	-51.83
CCCN(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004662365	1	35	-1.0	-52.53	295.45	0.68	-51.85
CCCN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662366	0	35	-1.0	-42.10	302.68	1.17	-40.93
CCCN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662366	1	35	-1.0	-42.07	302.75	1.17	-40.90
CC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004662367	0	31	-1.0	-55.96	273.01	4.12	-51.84
CC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004662367	1	31	-1.0	-55.97	273.07	4.13	-51.84
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)OC1=O	REAL250004662368	0	38	-1.0	-51.42	311.90	4.27	-47.15
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)OC1=O	REAL250004662368	1	38	-1.0	-51.40	311.96	4.28	-47.12
O=C(CCCC1=N[N-]N=N1)NNC1=NC=NC=C1F	REAL250004662369	0	29	-1.0	-46.81	267.67	2.16	-44.65
O=C(CCCC1=NN=N[N-]1)NNC1=NC=NC=C1F	REAL250004662369	1	29	-1.0	-46.86	267.72	2.18	-44.68
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(=O)NC=C1	REAL250004662371	0	35	-1.0	-58.08	301.99	1.13	-56.95
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(=O)NC=C1	REAL250004662371	1	35	-1.0	-58.10	302.05	1.15	-56.95
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN2C=CN=C12	REAL250004662372	0	35	-1.0	-51.70	304.34	4.50	-47.20
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN2C=CN=C12	REAL250004662372	1	35	-1.0	-51.76	304.40	4.52	-47.24
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCCC2	REAL250004662373	0	39	-1.0	-48.10	308.44	5.16	-42.94
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCCC2	REAL250004662373	1	39	-1.0	-48.08	308.50	5.18	-42.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCCC2	REAL250004662374	0	39	-1.0	-36.87	316.52	5.11	-31.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCCC2	REAL250004662374	1	39	-1.0	-36.87	316.59	5.12	-31.75
CN1N=CC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662376	0	37	-1.0	-50.64	318.94	1.19	-49.45
CN1N=CC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662376	1	37	-1.0	-50.62	319.00	1.20	-49.42
NS(=O)(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662377	0	36	-1.0	-59.58	318.89	-2.98	-62.56
NS(=O)(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662377	1	36	-1.0	-59.58	318.95	-2.97	-62.55
CC(C)(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662378	0	41	-1.0	-46.59	319.98	4.14	-42.45
CC(C)(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662378	1	41	-1.0	-46.65	320.04	4.16	-42.49
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCCCC2)C1	REAL250004662379	0	42	-1.0	-47.33	330.38	5.86	-41.47
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCCCC2)C1	REAL250004662379	1	42	-1.0	-47.34	330.44	5.88	-41.46
CN(CC1=C(F)C=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004662380	0	35	-1.0	-49.66	300.55	5.55	-44.11
CN(CC1=C(F)C=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004662380	1	35	-1.0	-49.71	300.61	5.57	-44.14
CCC(C)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662381	0	35	-1.0	-35.98	302.97	3.45	-32.53
CCC(C)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662381	1	35	-1.0	-35.96	303.04	3.46	-32.50
CSC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662382	0	33	-1.0	-48.50	287.32	3.97	-44.53
CSC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662382	1	33	-1.0	-48.50	287.38	3.98	-44.52
CSC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662383	0	33	-1.0	-35.52	294.26	4.14	-31.38
CSC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662383	1	33	-1.0	-35.50	294.33	4.15	-31.35
O=C(CCCC1=N[N-]N=N1)N1CC2C3CCC(C3)C2C1	REAL250004662386	0	40	-1.0	-46.79	300.15	5.28	-41.51
O=C(CCCC1=NN=N[N-]1)N1CC2C3CCC(C3)C2C1	REAL250004662386	1	40	-1.0	-46.83	300.21	5.29	-41.54
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C	REAL250004662387	0	32	-1.0	-37.82	275.31	3.40	-34.42
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C	REAL250004662387	1	32	-1.0	-37.81	275.38	3.41	-34.40
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CCCCC1	REAL250004662388	0	45	-1.0	-47.05	344.20	2.25	-44.80
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CCCCC1	REAL250004662388	1	45	-1.0	-47.04	344.26	2.26	-44.78
N#CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662389	0	27	-1.0	-45.58	255.41	2.43	-43.15
N#CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662389	1	27	-1.0	-45.56	255.48	2.45	-43.11
CCOC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662390	0	42	-1.0	-46.89	323.38	4.05	-42.84
CCOC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662390	1	42	-1.0	-46.87	323.44	4.06	-42.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2CC2)C1	REAL250004662391	0	33	-1.0	-36.44	288.05	4.29	-32.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2CC2)C1	REAL250004662391	1	33	-1.0	-36.41	288.11	4.31	-32.10
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CCC2)=C1	REAL250004662392	0	39	-1.0	-48.96	318.74	5.95	-43.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CCC2)=C1	REAL250004662392	1	39	-1.0	-49.00	318.80	5.96	-43.04
CC(C)(CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662393	0	41	-1.0	-46.31	319.60	4.14	-42.17
CC(C)(CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662393	1	41	-1.0	-46.34	319.66	4.16	-42.18
C[C@@H](CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662394	0	28	-1.0	-37.48	256.87	1.24	-36.24
C[C@@H](CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662394	1	28	-1.0	-37.45	256.94	1.25	-36.20
O=C(NC1(CCO)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662395	0	33	-1.0	-37.59	292.60	-0.83	-38.42
O=C(NC1(CCO)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662395	1	33	-1.0	-37.53	292.66	-0.83	-38.36
CC(F)(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662396	0	31	-1.0	-37.68	283.88	1.92	-35.76
CC(F)(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662396	1	31	-1.0	-37.63	283.95	1.93	-35.70
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004662398	0	42	-1.0	-48.49	330.25	5.99	-42.50
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004662398	1	42	-1.0	-48.52	330.30	6.00	-42.52
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)SN=N1	REAL250004662399	0	30	-1.0	-46.58	278.24	0.62	-45.96
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)SN=N1	REAL250004662399	1	30	-1.0	-46.65	278.29	0.64	-46.01
O=C(CCCC1=N[N-]N=N1)N1CCCC(CO)CC1	REAL250004662400	0	39	-1.0	-49.43	302.77	1.97	-47.46
O=C(CCCC1=NN=N[N-]1)N1CCCC(CO)CC1	REAL250004662400	1	39	-1.0	-49.40	302.83	1.98	-47.42
O=C(CCCC1=NN=N[N-]1)N1CCC(N2C=CC=N2)C1	REAL250004662401	0	36	-1.0	-52.75	302.15	3.54	-49.21
O=C(CCCC1=N[N-]N=N1)N1CCC(N2C=CC=N2)C1	REAL250004662401	1	36	-1.0	-52.75	302.09	3.53	-49.22
COC1(CCNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662402	0	39	-1.0	-49.09	314.80	1.98	-47.11
COC1(CCNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662402	1	39	-1.0	-49.11	314.85	2.00	-47.11
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004662403	0	41	-1.0	-48.89	315.63	5.65	-43.24
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004662403	1	41	-1.0	-48.88	315.68	5.67	-43.21
O=C(NCC1=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662404	0	36	-1.0	-34.75	305.56	3.49	-31.26
O=C(NCC1=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662404	1	36	-1.0	-34.78	305.63	3.49	-31.29
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004662405	0	39	-1.0	-45.22	309.84	2.00	-43.22
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004662405	1	39	-1.0	-45.21	309.90	2.01	-43.20
CCC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662406	0	44	-1.0	-46.70	329.61	4.71	-41.99
CCC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662406	1	44	-1.0	-46.71	329.67	4.71	-42.00
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(Cl)=N1	REAL250004662407	0	30	-1.0	-46.74	284.07	2.69	-44.05
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(Cl)=N1	REAL250004662407	1	30	-1.0	-46.75	284.13	2.70	-44.05
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CC=C2O1	REAL250004662408	0	34	-1.0	-49.23	301.41	0.46	-48.77
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CC=C2O1	REAL250004662408	1	34	-1.0	-49.30	301.47	0.48	-48.82
C#CCC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662409	0	31	-1.0	-38.03	287.50	-0.81	-38.84
C#CCC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662409	1	31	-1.0	-38.03	287.57	-0.79	-38.82
O=C(CCCC1=N[N-]N=N1)NCCOC1CCCCO1	REAL250004662410	0	40	-1.0	-48.57	327.67	1.90	-46.67
O=C(CCCC1=NN=N[N-]1)NCCOC1CCCCO1	REAL250004662410	1	40	-1.0	-48.58	327.72	1.92	-46.66
CC#CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662411	0	30	-1.0	-37.28	272.56	4.46	-32.82
CC#CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662411	1	30	-1.0	-37.28	272.63	4.48	-32.80
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)CC1	REAL250004662412	0	36	-1.0	-49.81	283.41	1.31	-48.50
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)CC1	REAL250004662412	1	36	-1.0	-49.80	283.47	1.32	-48.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(O)CC1	REAL250004662413	0	36	-1.0	-37.11	288.17	2.01	-35.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(O)CC1	REAL250004662413	1	36	-1.0	-37.10	288.24	2.02	-35.08
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004662414	0	33	-1.0	-34.84	276.85	2.19	-32.65
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004662414	1	33	-1.0	-34.79	276.91	2.20	-32.59
CCN1N=CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004662415	0	32	-1.0	-53.05	288.26	3.08	-49.97
CCN1N=CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004662415	1	32	-1.0	-53.09	288.32	3.09	-50.00
O=C(CCCC1=N[N-]N=N1)NCC=CC1=CC=CN=C1	REAL250004662416	0	35	-1.0	-48.77	305.00	3.00	-45.77
O=C(CCCC1=NN=N[N-]1)NCC=CC1=CC=CN=C1	REAL250004662416	1	35	-1.0	-48.78	305.06	3.01	-45.77
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(=O)N(C)C1	REAL250004662417	0	39	-1.0	-51.43	311.39	2.98	-48.45
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(=O)N(C)C1	REAL250004662417	1	39	-1.0	-51.49	311.44	2.99	-48.50
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)N1C	REAL250004662418	1	40	-1.0	-46.42	306.60	2.20	-44.22
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)N1C	REAL250004662418	1	40	-1.0	-46.44	306.65	2.21	-44.23
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2=CC=CC=C21	REAL250004662419	0	42	-1.0	-47.35	343.00	5.98	-41.37
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2=CC=CC=C21	REAL250004662419	1	42	-1.0	-47.40	343.05	5.99	-41.41
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C12CCCC2	REAL250004662420	0	40	-1.0	-49.12	305.52	2.28	-46.84
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C12CCCC2	REAL250004662420	1	40	-1.0	-49.18	305.58	2.29	-46.89
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004662421	0	41	-1.0	-48.03	315.76	2.25	-45.78
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004662421	1	41	-1.0	-48.01	315.82	2.27	-45.74
CC(C)N1C=NN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662422	0	40	-1.0	-61.28	330.68	5.89	-55.39
CC(C)N1C=NN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662422	1	40	-1.0	-61.28	330.74	5.91	-55.37
O=C(NOC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662423	0	30	-1.0	-36.37	270.23	2.77	-33.60
O=C(NOC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662423	1	30	-1.0	-36.34	270.30	2.78	-33.56
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCOC2	REAL250004662424	0	34	-1.0	-48.41	282.97	1.91	-46.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCOC2	REAL250004662424	1	34	-1.0	-48.44	283.03	1.92	-46.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCOC2	REAL250004662425	0	34	-1.0	-37.83	290.67	1.79	-36.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCOC2	REAL250004662425	1	34	-1.0	-37.81	290.74	1.80	-36.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCC2)C=N1	REAL250004662426	0	38	-1.0	-53.29	315.20	5.58	-47.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCC2)C=N1	REAL250004662426	1	38	-1.0	-53.28	315.14	5.57	-47.71
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOC(C)(C)C1	REAL250004662427	0	45	-1.0	-49.50	338.16	4.68	-44.82
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOC(C)(C)C1	REAL250004662427	1	45	-1.0	-49.49	338.22	4.70	-44.79
COCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004662428	0	35	-1.0	-48.86	319.31	0.21	-48.65
COCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004662428	1	35	-1.0	-48.87	319.37	0.23	-48.64
CCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662430	0	39	-1.0	-51.46	314.05	3.49	-47.97
CCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662430	1	39	-1.0	-51.47	314.11	3.50	-47.97
COC(=O)C(CF)NC(=O)CCCC1=N[N-]N=N1	REAL250004662431	0	31	-1.0	-48.15	276.83	1.51	-46.64
COC(=O)C(CF)NC(=O)CCCC1=NN=N[N-]1	REAL250004662431	1	31	-1.0	-48.18	276.88	1.52	-46.66
CC(C)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662432	0	42	-1.0	-49.11	321.12	1.87	-47.24
CC(C)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662432	1	42	-1.0	-49.16	321.17	1.89	-47.27
O=C(NNC1=NNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662433	0	27	-1.0	-40.68	257.99	2.36	-38.32
O=C(NNC1=NNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662433	1	27	-1.0	-40.70	258.05	2.36	-38.34
O=C(CCCC1=NN=N[N-]1)NC1=NC=C(CCO)S1	REAL250004662434	0	32	-1.0	-52.90	294.40	0.20	-52.70
O=C(CCCC1=N[N-]N=N1)NC1=NC=C(CCO)S1	REAL250004662434	1	32	-1.0	-52.89	294.34	0.18	-52.71
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)N=CN2	REAL250004662435	0	33	-1.0	-49.26	274.90	3.25	-46.01
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)N=CN2	REAL250004662435	1	33	-1.0	-49.27	274.96	3.27	-46.00
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)NC=N2	REAL250004662435	1	33	-1.0	-52.07	274.97	3.29	-48.78
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)NC=N2	REAL250004662435	1	33	-1.0	-52.11	275.03	3.30	-48.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1NC(=O)N2	REAL250004662436	0	33	-1.0	-49.42	288.21	0.20	-49.22
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1NC(=O)N2	REAL250004662436	1	33	-1.0	-49.37	288.27	0.22	-49.15
O=C(CCCC1=N[N-]N=N1)NC1=NN=C2NC=NN12	REAL250004662437	0	28	-1.0	-62.94	256.17	6.75	-56.19
O=C(CCCC1=NN=N[N-]1)NC1=NN=C2NC=NN12	REAL250004662437	1	28	-1.0	-62.91	256.23	6.76	-56.15
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=NC=C2)C1	REAL250004662438	0	38	-1.0	-49.73	315.01	4.56	-45.17
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=NC=C2)C1	REAL250004662438	1	38	-1.0	-49.72	315.07	4.58	-45.14
O=C(CCCC1=N[N-]N=N1)NCC1=CCCOC1	REAL250004662439	0	34	-1.0	-46.38	286.07	1.29	-45.09
O=C(CCCC1=NN=N[N-]1)NCC1=CCCOC1	REAL250004662439	1	34	-1.0	-46.38	286.13	1.31	-45.07
O=C(NCC1=CCCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662440	0	34	-1.0	-36.20	296.67	1.08	-35.12
O=C(NCC1=CCCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662440	1	34	-1.0	-36.18	296.73	1.09	-35.09
O=C(CCCC1=N[N-]N=N1)NCC1CCCSC1	REAL250004662441	0	36	-1.0	-46.34	301.26	3.63	-42.71
O=C(CCCC1=NN=N[N-]1)NCC1CCCSC1	REAL250004662441	1	36	-1.0	-46.38	301.32	3.64	-42.74
CC(=O)NC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662442	0	42	-1.0	-53.47	341.06	1.49	-51.98
CC(=O)NC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662442	1	42	-1.0	-53.46	341.12	1.50	-51.96
CCCC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662443	0	42	-1.0	-48.45	328.55	1.98	-46.47
CCCC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662443	1	42	-1.0	-48.47	328.61	1.99	-46.48
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004662444	0	36	-1.0	-50.26	305.41	4.06	-46.20
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004662444	1	36	-1.0	-50.26	305.46	4.07	-46.19
CC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004662445	0	35	-1.0	-49.65	300.84	2.44	-47.21
CC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004662445	1	35	-1.0	-49.65	300.89	2.46	-47.19
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCOC2=C1	REAL250004662446	0	37	-1.0	-50.13	314.29	0.37	-49.76
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCOC2=C1	REAL250004662446	1	37	-1.0	-50.13	314.34	0.39	-49.74
CC1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N=C1	REAL250004662447	0	39	-1.0	-52.54	324.02	4.22	-48.32
CC1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N=C1	REAL250004662447	1	39	-1.0	-52.53	323.97	4.21	-48.32
COC[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662448	0	33	-1.0	-37.51	290.87	-1.60	-39.11
COC[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662448	1	33	-1.0	-37.49	290.94	-1.59	-39.08
CN(C)C1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662449	0	39	-1.0	-48.93	327.57	1.61	-47.32
CN(C)C1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662449	1	39	-1.0	-48.94	327.63	1.62	-47.32
O=C(NCCC1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662450	0	32	-1.0	-39.27	291.09	0.52	-38.75
O=C(NCCC1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662450	1	32	-1.0	-39.28	291.03	0.51	-38.77
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)O1	REAL250004662452	0	32	-1.0	-57.18	277.63	1.86	-55.32
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)O1	REAL250004662452	1	32	-1.0	-57.17	277.69	1.87	-55.30
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)O1	REAL250004662453	0	32	-1.0	-42.75	287.87	1.63	-41.12
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)O1	REAL250004662453	1	32	-1.0	-42.72	287.94	1.63	-41.09
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004662455	0	42	-1.0	-48.99	323.90	6.89	-42.10
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004662455	1	42	-1.0	-49.03	323.95	6.90	-42.13
CC(C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004662456	0	35	-1.0	-50.50	292.09	-0.99	-51.49
CC(C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004662456	1	35	-1.0	-50.47	292.15	-0.98	-51.45
CC(C)[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004662457	0	35	-1.0	-40.04	297.49	-1.31	-41.35
CC(C)[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004662457	1	35	-1.0	-40.02	297.56	-1.31	-41.33
CC1CC(C(C)(C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662458	0	47	-1.0	-46.97	341.63	6.18	-40.79
CC1CC(C(C)(C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662458	1	47	-1.0	-46.97	341.68	6.19	-40.78
CC(C)NC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662459	0	40	-1.0	-50.26	340.10	1.51	-48.75
CC(C)NC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662459	1	40	-1.0	-50.31	340.16	1.53	-48.78
O=C(CCCC1=N[N-]N=N1)NC1=CC(C2CC2)=CC=N1	REAL250004662460	0	35	-1.0	-52.23	298.73	5.15	-47.08
O=C(CCCC1=NN=N[N-]1)NC1=CC(C2CC2)=CC=N1	REAL250004662460	1	35	-1.0	-52.22	298.78	5.17	-47.05
CN(C)S(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662461	0	36	-1.0	-56.91	317.78	-1.51	-58.42
CN(C)S(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662461	1	36	-1.0	-56.99	317.84	-1.50	-58.49
CN1N=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662462	0	31	-1.0	-48.48	273.82	-0.17	-48.65
CN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662462	1	31	-1.0	-48.49	273.88	-0.15	-48.64
CN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662463	0	31	-1.0	-39.44	284.41	-0.37	-39.81
CN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662463	1	31	-1.0	-39.41	284.48	-0.37	-39.78
CN1C=CC(NCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662464	0	37	-1.0	-53.09	318.74	1.24	-51.85
CN1C=CC(NCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662464	1	37	-1.0	-53.10	318.69	1.23	-51.87
CCC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662465	0	33	-1.0	-48.82	301.76	1.03	-47.79
CCC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662465	1	33	-1.0	-48.80	301.81	1.04	-47.76
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C1=CC=CC=C1	REAL250004662466	0	35	-1.0	-46.08	310.48	4.36	-41.72
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C1=CC=CC=C1	REAL250004662466	1	35	-1.0	-46.07	310.54	4.38	-41.69
COCCOCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662467	0	39	-1.0	-46.97	324.12	1.99	-44.98
COCCOCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662467	1	39	-1.0	-47.00	324.18	2.00	-45.00
COCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662468	0	38	-1.0	-46.11	308.16	1.90	-44.21
COCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662468	1	38	-1.0	-46.09	308.21	1.92	-44.17
COCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662469	0	38	-1.0	-35.30	318.75	1.69	-33.61
COCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662469	1	38	-1.0	-35.30	318.82	1.71	-33.59
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL250004662470	0	32	-1.0	-36.49	290.97	2.02	-34.47
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL250004662470	1	32	-1.0	-36.49	291.04	2.03	-34.46
O=C(CCCC1=N[N-]N=N1)NCCC1(F)CCC1	REAL250004662472	0	35	-1.0	-49.92	294.44	3.30	-46.62
O=C(CCCC1=NN=N[N-]1)NCCC1(F)CCC1	REAL250004662472	1	35	-1.0	-49.94	294.49	3.31	-46.63
O=C(NCCC1(F)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662473	0	35	-1.0	-36.78	305.17	3.11	-33.67
O=C(NCCC1(F)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662473	1	35	-1.0	-36.76	305.24	3.11	-33.65
C=CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662474	0	47	-1.0	-46.57	382.47	6.47	-40.10
C=CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662474	1	47	-1.0	-46.53	382.53	6.49	-40.04
O=C(NCC1=CC=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662475	0	30	-1.0	-37.99	279.46	1.24	-36.75
O=C(NCC1=CC=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662475	1	30	-1.0	-37.94	279.53	1.24	-36.70
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004662476	0	41	-1.0	-45.95	311.15	4.31	-41.64
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004662476	1	41	-1.0	-45.99	311.21	4.32	-41.67
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004662477	0	42	-1.0	-47.33	317.21	2.38	-44.95
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004662477	1	42	-1.0	-47.33	317.27	2.40	-44.93
CN(CC1=NN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004662478	0	34	-1.0	-63.11	288.69	4.52	-58.59
CN(CC1=NN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004662478	1	34	-1.0	-63.14	288.75	4.53	-58.61
CN(CC1=NN=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662479	0	34	-1.0	-40.50	297.06	5.06	-35.44
CN(CC1=NN=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662479	1	34	-1.0	-40.50	297.13	5.07	-35.43
CC1=CC=C2CCC[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004662480	0	42	-1.0	-49.01	333.66	5.83	-43.18
CC1=CC=C2CCC[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004662480	1	42	-1.0	-49.02	333.71	5.84	-43.18
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004662481	0	35	-1.0	-46.30	287.43	4.26	-42.04
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004662481	1	35	-1.0	-46.32	287.49	4.28	-42.04
CC1OC2=CC=CC=C2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662483	0	37	-1.0	-47.47	313.79	3.41	-44.06
CC1OC2=CC=CC=C2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662483	1	37	-1.0	-47.46	313.85	3.42	-44.04
CCCC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004662484	0	40	-1.0	-46.92	340.10	1.15	-45.77
CCCC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004662484	1	40	-1.0	-46.94	340.16	1.16	-45.78
NC(=O)N1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662485	0	41	-1.0	-52.31	328.93	0.12	-52.19
NC(=O)N1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662485	1	41	-1.0	-52.31	328.99	0.13	-52.18
NC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662486	0	36	-1.0	-51.72	299.61	0.27	-51.45
NC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662486	1	36	-1.0	-51.78	299.66	0.29	-51.49
CC(CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662487	0	28	-1.0	-37.46	256.88	1.24	-36.22
CC(CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662487	1	28	-1.0	-37.43	256.94	1.25	-36.18
O=C(CCCC1=N[N-]N=N1)NCC1CC(F)(F)C1	REAL250004662488	0	32	-1.0	-47.42	280.66	2.69	-44.73
O=C(CCCC1=NN=N[N-]1)NCC1CC(F)(F)C1	REAL250004662488	1	32	-1.0	-47.40	280.72	2.71	-44.69
O=C(NCC1CC(F)(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662489	0	32	-1.0	-36.53	291.26	2.49	-34.04
O=C(NCC1CC(F)(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662489	1	32	-1.0	-36.53	291.32	2.50	-34.03
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004662490	0	43	-1.0	-47.01	332.23	1.78	-45.23
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004662490	1	43	-1.0	-47.04	332.29	1.80	-45.24
CNC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662491	0	32	-1.0	-40.85	286.81	-1.25	-42.10
CNC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662491	1	32	-1.0	-40.80	286.87	-1.23	-42.03
O=C(CCCC1=N[N-]N=N1)N1CCN2C=NC=C2C1	REAL250004662492	0	33	-1.0	-49.13	275.89	4.28	-44.85
O=C(CCCC1=NN=N[N-]1)N1CCN2C=NC=C2C1	REAL250004662492	1	33	-1.0	-49.14	275.95	4.30	-44.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=NC=C2C1	REAL250004662493	0	33	-1.0	-39.28	283.24	4.57	-34.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=NC=C2C1	REAL250004662493	1	33	-1.0	-39.27	283.31	4.58	-34.69
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(C1)NC=N2	REAL250004662494	0	36	-1.0	-51.44	299.20	2.78	-48.66
O=C(CCCC1=N[N-]N=N1)NC1CCC2=C(C1)N=CN2	REAL250004662494	1	36	-1.0	-56.09	299.20	2.78	-53.31
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(C1)N=CN2	REAL250004662494	1	36	-1.0	-56.11	299.25	2.80	-53.31
O=C(CCCC1=NN=N[N-]1)NC1CCC2=C(C1)NC=N2	REAL250004662494	1	36	-1.0	-51.40	299.26	2.80	-48.60
CCOCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662495	0	41	-1.0	-45.92	330.01	2.87	-43.05
CCOCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662495	1	41	-1.0	-45.92	330.07	2.88	-43.04
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1CC1	REAL250004662496	0	39	-1.0	-47.43	313.36	5.37	-42.06
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1CC1	REAL250004662496	1	39	-1.0	-47.41	313.43	5.38	-42.03
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C1CC1	REAL250004662497	0	39	-1.0	-37.02	321.32	5.29	-31.73
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C1CC1	REAL250004662497	1	39	-1.0	-36.99	321.39	5.30	-31.69
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C1C1CC1	REAL250004662498	0	40	-1.0	-48.09	326.13	5.98	-42.11
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C1C1CC1	REAL250004662498	1	40	-1.0	-48.13	326.19	6.00	-42.13
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1CCCO1	REAL250004662499	0	43	-1.0	-46.62	336.57	4.26	-42.36
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1CCCO1	REAL250004662499	1	43	-1.0	-46.65	336.62	4.27	-42.38
CC(C)CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662500	0	47	-1.0	-46.52	341.42	6.16	-40.36
CC(C)CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662500	1	47	-1.0	-46.50	341.47	6.17	-40.33
CC(C)S(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662501	0	37	-1.0	-59.70	321.51	-0.50	-60.20
CC(C)S(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662501	1	37	-1.0	-59.76	321.57	-0.49	-60.25
CC(C)(CCC#N)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662502	0	38	-1.0	-52.78	311.63	3.68	-49.10
CC(C)(CCC#N)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662502	1	38	-1.0	-52.78	311.69	3.69	-49.09
CC(C)(CCC#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662503	0	38	-1.0	-40.57	322.23	3.47	-37.10
CC(C)(CCC#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662503	1	38	-1.0	-40.57	322.30	3.48	-37.09
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCCC1	REAL250004662504	0	39	-1.0	-46.02	313.90	0.68	-45.34
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCCC1	REAL250004662504	1	39	-1.0	-46.01	313.96	0.70	-45.31
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C(C=CO2)C1	REAL250004662505	0	36	-1.0	-49.10	293.94	4.67	-44.43
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C(C=CO2)C1	REAL250004662505	1	36	-1.0	-49.15	294.00	4.69	-44.46
CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004662506	0	35	-1.0	-35.58	302.57	0.97	-34.61
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004662506	1	35	-1.0	-35.54	302.64	0.97	-34.57
CC1=NN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662507	0	33	-1.0	-53.45	301.78	1.03	-52.42
CC1=NN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662507	1	33	-1.0	-53.45	301.83	1.05	-52.40
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)OCCO2	REAL250004662508	0	38	-1.0	-48.20	302.70	2.49	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)OCCO2	REAL250004662508	1	38	-1.0	-48.22	302.76	2.50	-45.72
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CC=C1	REAL250004662509	0	39	-1.0	-48.47	321.01	2.60	-45.87
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CC=C1	REAL250004662509	1	39	-1.0	-48.46	321.07	2.61	-45.85
O=C(NOCC=CCl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662510	0	27	-1.0	-36.50	272.92	2.54	-33.96
O=C(NOCC=CCl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662510	1	27	-1.0	-36.49	272.99	2.54	-33.95
CON(CC1CCCC(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004662511	0	45	-1.0	-44.71	353.75	6.41	-38.30
CON(CC1CCCC(C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004662511	1	45	-1.0	-44.68	353.80	6.42	-38.26
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004662512	0	32	-1.0	-49.20	294.94	2.03	-47.17
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004662512	1	32	-1.0	-49.25	295.00	2.05	-47.20
CCCCC(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662513	0	40	-1.0	-47.70	316.89	5.72	-41.98
CCCCC(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662513	1	40	-1.0	-47.69	316.95	5.74	-41.95
CCCCC(C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662514	0	40	-1.0	-36.00	324.70	6.12	-29.88
CCCCC(C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662514	1	40	-1.0	-35.99	324.77	6.13	-29.86
O=C(CCCC1=N[N-]N=N1)NCC1COC2=CC=CC=C21	REAL250004662515	0	37	-1.0	-50.68	313.74	3.38	-47.30
O=C(CCCC1=NN=N[N-]1)NCC1COC2=CC=CC=C21	REAL250004662515	1	37	-1.0	-50.69	313.80	3.39	-47.30
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004662516	0	38	-1.0	-50.10	328.01	1.51	-48.59
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004662516	1	38	-1.0	-50.14	328.06	1.53	-48.61
COCC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662518	0	44	-1.0	-47.29	349.00	2.90	-44.39
COCC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662518	1	44	-1.0	-47.30	349.06	2.92	-44.38
CC(CC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662519	0	31	-1.0	-37.79	281.64	2.54	-35.25
CC(CC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662519	1	31	-1.0	-37.79	281.70	2.57	-35.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OC(=O)N2	REAL250004662520	0	32	-1.0	-48.90	284.79	0.88	-48.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OC(=O)N2	REAL250004662520	1	32	-1.0	-48.97	284.84	0.89	-48.08
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=C1CCCC2	REAL250004662522	0	38	-1.0	-48.03	317.47	3.51	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=C1CCCC2	REAL250004662522	1	38	-1.0	-48.04	317.52	3.53	-44.51
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004662523	0	39	-1.0	-49.86	317.19	-1.35	-51.21
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004662523	1	39	-1.0	-49.91	317.24	-1.33	-51.24
O=C(CCCC1=N[N-]N=N1)NC1CCCC1(F)F	REAL250004662524	0	32	-1.0	-51.15	275.25	3.04	-48.11
O=C(CCCC1=NN=N[N-]1)NC1CCCC1(F)F	REAL250004662524	1	32	-1.0	-51.17	275.31	3.05	-48.12
O=C(NC1CCCC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662525	0	32	-1.0	-36.35	284.60	2.70	-33.65
O=C(NC1CCCC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662525	1	32	-1.0	-36.27	284.66	2.70	-33.57
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C(F)(F)F	REAL250004662526	0	32	-1.0	-47.12	282.68	3.02	-44.10
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C(F)(F)F	REAL250004662526	1	32	-1.0	-47.14	282.74	3.03	-44.11
C=C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004662527	0	36	-1.0	-47.08	312.49	4.69	-42.39
C=C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004662527	1	36	-1.0	-47.06	312.55	4.71	-42.35
COC1=CC(F)=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662529	0	33	-1.0	-48.43	293.71	2.90	-45.53
COC1=CC(F)=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662529	1	33	-1.0	-48.43	293.76	2.91	-45.52
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(=O)C2	REAL250004662530	0	35	-1.0	-48.20	284.60	3.85	-44.35
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(=O)C2	REAL250004662530	1	35	-1.0	-48.15	284.66	3.86	-44.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1CC(=O)C2	REAL250004662531	0	35	-1.0	-36.12	291.76	4.10	-32.02
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1CC(=O)C2	REAL250004662531	1	35	-1.0	-36.05	291.83	4.10	-31.95
CC(C)(O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662532	0	35	-1.0	-53.05	310.54	0.88	-52.17
CC(C)(O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662532	1	35	-1.0	-53.04	310.48	0.87	-52.17
O=C(CCCC1=N[N-]N=N1)N1CCC1C(F)(F)F	REAL250004662533	0	29	-1.0	-52.30	260.82	3.08	-49.22
O=C(CCCC1=NN=N[N-]1)N1CCC1C(F)(F)F	REAL250004662533	1	29	-1.0	-52.31	260.88	3.09	-49.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C(F)(F)F	REAL250004662534	0	29	-1.0	-39.54	271.65	3.20	-36.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C(F)(F)F	REAL250004662534	1	29	-1.0	-39.55	271.71	3.20	-36.35
O=C(CCCC1=N[N-]N=N1)NC1CC(C(F)(F)F)C1	REAL250004662535	0	32	-1.0	-47.20	284.28	2.92	-44.28
O=C(CCCC1=NN=N[N-]1)NC1CC(C(F)(F)F)C1	REAL250004662535	1	32	-1.0	-47.17	284.34	2.94	-44.23
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(F)(F)CC1	REAL250004662536	0	38	-1.0	-46.39	306.19	5.09	-41.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(F)(F)CC1	REAL250004662536	1	38	-1.0	-46.42	306.25	5.10	-41.32
O=C(CCCC1=N[N-]N=N1)N1CCOCC(F)(F)C1	REAL250004662537	0	33	-1.0	-54.19	274.36	2.34	-51.85
O=C(CCCC1=NN=N[N-]1)N1CCOCC(F)(F)C1	REAL250004662537	1	33	-1.0	-54.14	274.41	2.35	-51.79
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CC2)CC1	REAL250004662538	0	39	-1.0	-46.56	307.50	5.69	-40.87
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CC2)CC1	REAL250004662538	1	39	-1.0	-46.55	307.56	5.71	-40.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CC2)CC1	REAL250004662539	0	39	-1.0	-35.05	315.55	5.87	-29.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CC2)CC1	REAL250004662539	1	39	-1.0	-34.99	315.62	5.88	-29.11
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004662540	0	45	-1.0	-45.92	340.65	4.17	-41.75
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004662540	1	45	-1.0	-45.93	340.71	4.18	-41.75
C=CCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662541	0	44	-1.0	-46.57	360.98	5.69	-40.88
C=CCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662541	1	44	-1.0	-46.56	361.03	5.70	-40.86
O=C(CCCC1=N[N-]N=N1)NCCCN1C=C(CO)N=N1	REAL250004662542	0	38	-1.0	-52.58	329.32	-1.71	-54.29
O=C(CCCC1=NN=N[N-]1)NCCCN1C=C(CO)N=N1	REAL250004662542	1	38	-1.0	-52.55	329.37	-1.70	-54.25
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCC1	REAL250004662543	0	39	-1.0	-47.12	314.30	5.45	-41.67
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCC1	REAL250004662543	1	39	-1.0	-47.11	314.35	5.46	-41.65
O=C(NC(C1CC1)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662544	0	39	-1.0	-34.96	320.39	5.17	-29.79
O=C(NC(C1CC1)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662544	1	39	-1.0	-34.94	320.47	5.17	-29.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(COC2)C1	REAL250004662545	0	31	-1.0	-37.63	274.46	1.06	-36.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(COC2)C1	REAL250004662545	1	31	-1.0	-37.64	274.53	1.07	-36.57
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL250004662546	0	38	-1.0	-51.64	306.99	-0.25	-51.89
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL250004662546	1	38	-1.0	-51.70	307.05	-0.24	-51.94
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCCN2C1=O	REAL250004662547	0	40	-1.0	-57.85	322.53	2.32	-55.53
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCCN2C1=O	REAL250004662547	1	40	-1.0	-57.87	322.59	2.33	-55.54
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCCC1	REAL250004662548	0	42	-1.0	-46.77	340.00	3.26	-43.51
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCCC1	REAL250004662548	1	42	-1.0	-46.79	340.06	3.27	-43.52
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCC2)CCC1	REAL250004662549	0	42	-1.0	-46.05	322.14	5.21	-40.84
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCC2)CCC1	REAL250004662549	1	42	-1.0	-46.09	322.20	5.22	-40.87
CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662550	0	32	-1.0	-36.72	277.21	3.49	-33.23
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662550	1	32	-1.0	-36.71	277.27	3.51	-33.20
CN(C)CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662551	0	36	-1.0	-45.30	314.65	1.15	-44.15
CN(C)CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662551	1	36	-1.0	-45.33	314.71	1.17	-44.16
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CCCC1	REAL250004662552	0	42	-1.0	-47.21	330.34	5.06	-42.15
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CCCC1	REAL250004662552	1	42	-1.0	-47.23	330.39	5.08	-42.15
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004662554	0	42	-1.0	-47.60	327.02	2.62	-44.98
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004662554	1	42	-1.0	-47.61	327.08	2.63	-44.98
O=C(CCCC1=N[N-]N=N1)NCCC1CC(F)(F)C1	REAL250004662555	0	35	-1.0	-49.14	302.11	3.48	-45.66
O=C(CCCC1=NN=N[N-]1)NCCC1CC(F)(F)C1	REAL250004662555	1	35	-1.0	-49.16	302.17	3.50	-45.66
CON1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662556	0	41	-1.0	-48.00	318.33	2.11	-45.89
CON1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662556	1	41	-1.0	-48.06	318.39	2.13	-45.93
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCC(=O)N1	REAL250004662557	0	36	-1.0	-51.43	299.13	-0.02	-51.45
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCC(=O)N1	REAL250004662557	1	36	-1.0	-51.42	299.19	-0.01	-51.43
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004662558	0	36	-1.0	-52.54	311.20	1.21	-51.33
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004662558	1	36	-1.0	-52.58	311.26	1.22	-51.36
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004662560	0	37	-1.0	-51.89	316.23	3.11	-48.78
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004662560	1	37	-1.0	-51.90	316.29	3.13	-48.77
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662561	0	33	-1.0	-37.70	284.93	-0.95	-38.65
O=C(N[C@@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662561	1	33	-1.0	-37.73	285.00	-0.94	-38.67
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004662562	0	35	-1.0	-46.22	313.34	4.83	-41.39
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004662562	1	35	-1.0	-46.24	313.40	4.85	-41.39
CCC(C)(C)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662563	0	41	-1.0	-46.75	325.74	2.33	-44.42
CCC(C)(C)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662563	1	41	-1.0	-46.76	325.80	2.35	-44.41
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC[C@@H]1O	REAL250004662564	0	36	-1.0	-48.05	295.82	-0.18	-48.23
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC[C@@H]1O	REAL250004662564	1	36	-1.0	-48.03	295.88	-0.17	-48.20
O=C(NC[C@H]1CCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662565	0	36	-1.0	-36.77	306.42	-0.40	-37.17
O=C(NC[C@H]1CCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662565	1	36	-1.0	-36.75	306.48	-0.39	-37.14
CC1CCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004662566	0	36	-1.0	-47.01	297.20	1.55	-45.46
CC1CCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004662566	1	36	-1.0	-47.02	297.26	1.56	-45.46
CC1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004662567	0	36	-1.0	-37.05	307.79	1.34	-35.71
CC1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004662567	1	36	-1.0	-36.96	307.86	1.34	-35.62
CC(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662568	0	40	-1.0	-46.58	311.29	4.68	-41.90
CC(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662568	1	40	-1.0	-46.55	311.35	4.69	-41.86
CC(CC(C)(C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662569	0	40	-1.0	-35.47	321.86	4.48	-30.99
CC(CC(C)(C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662569	1	40	-1.0	-35.42	321.93	4.50	-30.92
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662570	0	31	-1.0	-35.28	280.50	2.77	-32.51
O=C(NNC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662570	1	31	-1.0	-35.24	280.56	2.77	-32.47
CCON(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004662571	0	45	-1.0	-43.65	349.96	6.44	-37.21
CCON(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004662571	1	45	-1.0	-43.67	350.02	6.46	-37.21
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004662572	0	35	-1.0	-46.24	313.30	4.83	-41.41
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004662572	1	35	-1.0	-46.24	313.36	4.85	-41.39
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004662573	0	39	-1.0	-47.67	303.08	5.16	-42.51
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004662573	1	39	-1.0	-47.68	303.13	5.17	-42.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004662574	0	39	-1.0	-36.10	310.38	5.39	-30.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250004662574	1	39	-1.0	-36.05	310.45	5.39	-30.66
COC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662575	0	36	-1.0	-49.33	289.41	2.17	-47.16
COC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662575	1	36	-1.0	-49.39	289.47	2.18	-47.21
COC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662576	0	36	-1.0	-36.09	296.43	2.38	-33.71
COC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662576	1	36	-1.0	-36.05	296.50	2.38	-33.67
CC(C)C1(C)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004662577	0	38	-1.0	-46.52	300.80	3.75	-42.77
CC(C)C1(C)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004662577	1	38	-1.0	-46.55	300.86	3.76	-42.79
CC(C)C1(C)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662578	0	38	-1.0	-34.93	311.39	3.54	-31.39
CC(C)C1(C)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662578	1	38	-1.0	-34.89	311.45	3.54	-31.35
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC(F)=C2C1	REAL250004662579	0	33	-1.0	-46.72	288.30	5.08	-41.64
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(F)=C2C1	REAL250004662579	1	33	-1.0	-46.71	288.36	5.09	-41.62
CO[C@@H]1COC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662580	0	34	-1.0	-46.14	285.02	-0.56	-46.70
CO[C@@H]1COC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662580	1	34	-1.0	-46.16	285.07	-0.54	-46.70
CO[C@@H]1COC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662581	0	34	-1.0	-36.04	295.58	-0.78	-36.82
CO[C@@H]1COC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662581	1	34	-1.0	-36.03	295.65	-0.76	-36.79
CN(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004662582	0	39	-1.0	-49.76	324.11	2.69	-47.07
CN(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004662582	1	39	-1.0	-49.78	324.17	2.71	-47.07
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1C1CC1	REAL250004662583	0	45	-1.0	-46.80	342.49	5.53	-41.27
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1C1CC1	REAL250004662583	1	45	-1.0	-46.82	342.55	5.54	-41.28
COC(=O)C(F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662584	0	31	-1.0	-50.90	281.24	1.39	-49.51
COC(=O)C(F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662584	1	31	-1.0	-50.93	281.30	1.40	-49.53
COC(=O)C(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662585	0	31	-1.0	-38.73	291.83	1.17	-37.56
COC(=O)C(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662585	1	31	-1.0	-38.72	291.90	1.18	-37.54
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662586	0	35	-1.0	-34.97	301.73	3.10	-31.87
CC(C)[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662586	1	35	-1.0	-34.95	301.80	3.11	-31.84
O=C(CCCC1=N[N-]N=N1)N1CCC2C(C1)C2(F)F	REAL250004662587	0	33	-1.0	-51.35	276.98	4.58	-46.77
O=C(CCCC1=NN=N[N-]1)N1CCC2C(C1)C2(F)F	REAL250004662587	1	33	-1.0	-51.36	277.04	4.60	-46.76
O=C(CCCC1=N[N-]N=N1)N1C2CCC1COC2	REAL250004662589	0	34	-1.0	-47.44	273.81	2.55	-44.89
O=C(CCCC1=NN=N[N-]1)N1C2CCC1COC2	REAL250004662589	1	34	-1.0	-47.43	273.86	2.56	-44.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2CCC1COC2	REAL250004662590	0	34	-1.0	-35.87	280.42	2.77	-33.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2CCC1COC2	REAL250004662590	1	34	-1.0	-35.87	280.49	2.79	-33.08
CCOC(=O)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662591	0	37	-1.0	-47.66	308.87	4.19	-43.47
CCOC(=O)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662591	1	37	-1.0	-47.67	308.92	4.21	-43.46
COC1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004662593	0	40	-1.0	-49.74	324.28	2.85	-46.89
COC1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004662593	1	40	-1.0	-49.80	324.33	2.87	-46.93
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)C1	REAL250004662595	0	38	-1.0	-47.46	299.10	4.63	-42.83
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)C1	REAL250004662595	1	38	-1.0	-47.48	299.16	4.65	-42.83
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(C)(C)C1	REAL250004662596	0	38	-1.0	-35.35	306.66	5.04	-30.31
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(C)(C)C1	REAL250004662596	1	38	-1.0	-35.31	306.72	5.06	-30.25
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662597	0	39	-1.0	-46.44	321.73	2.58	-43.86
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662597	1	39	-1.0	-46.51	321.79	2.59	-43.92
CCO[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662598	0	36	-1.0	-46.49	301.35	1.83	-44.66
CCO[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662598	1	36	-1.0	-46.49	301.40	1.85	-44.64
CCO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662599	0	36	-1.0	-36.06	311.96	1.62	-34.44
CCO[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662599	1	36	-1.0	-36.07	312.03	1.63	-34.44
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004662600	0	37	-1.0	-48.61	312.72	2.80	-45.81
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004662600	1	37	-1.0	-48.57	312.77	2.81	-45.76
O=C(CCCC1=N[N-]N=N1)NCCC1CC2CCC1O2	REAL250004662601	0	40	-1.0	-47.58	318.14	2.40	-45.18
O=C(CCCC1=NN=N[N-]1)NCCC1CC2CCC1O2	REAL250004662601	1	40	-1.0	-47.58	318.19	2.42	-45.16
CC(C)(CC#N)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662602	0	35	-1.0	-49.08	293.59	2.88	-46.20
CC(C)(CC#N)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662602	1	35	-1.0	-49.09	293.65	2.90	-46.19
CC(C)(CC#N)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662603	0	35	-1.0	-40.12	304.18	2.68	-37.44
CC(C)(CC#N)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662603	1	35	-1.0	-40.10	304.25	2.69	-37.41
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL250004662604	0	34	-1.0	-46.74	297.98	2.60	-44.14
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL250004662604	1	34	-1.0	-46.71	297.92	2.58	-44.13
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662605	0	38	-1.0	-46.95	318.00	4.98	-41.97
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662605	1	38	-1.0	-46.97	318.05	4.99	-41.98
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004662606	0	36	-1.0	-49.00	312.21	4.92	-44.08
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004662606	1	36	-1.0	-48.98	312.27	4.94	-44.04
CC(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662607	0	38	-1.0	-46.49	312.82	4.11	-42.38
CC(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662607	1	38	-1.0	-46.47	312.88	4.13	-42.34
CC(C)C[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662608	0	38	-1.0	-34.86	323.41	3.91	-30.95
CC(C)C[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662608	1	38	-1.0	-34.86	323.48	3.91	-30.95
CCC1(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662609	0	42	-1.0	-47.57	340.02	6.65	-40.92
CCC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662609	1	42	-1.0	-47.62	340.07	6.66	-40.96
C=COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662610	0	34	-1.0	-48.39	294.63	3.66	-44.73
C=COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662610	1	34	-1.0	-48.44	294.68	3.67	-44.77
O=C(CCCC1=N[N-]N=N1)N1CC(O)C(CO)C1	REAL250004662611	0	34	-1.0	-53.66	285.28	-3.22	-56.88
O=C(CCCC1=NN=N[N-]1)N1CC(O)C(CO)C1	REAL250004662611	1	34	-1.0	-53.66	285.34	-3.21	-56.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)C(CO)C1	REAL250004662612	0	34	-1.0	-39.50	291.15	-2.88	-42.38
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)C(CO)C1	REAL250004662612	1	34	-1.0	-39.52	291.21	-2.88	-42.40
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004662613	0	40	-1.0	-49.91	335.94	2.43	-47.48
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004662613	1	40	-1.0	-49.95	336.00	2.44	-47.51
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2COC[C@@H]21	REAL250004662614	0	37	-1.0	-47.99	287.83	2.80	-45.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2COC[C@@H]21	REAL250004662614	1	37	-1.0	-48.04	287.89	2.82	-45.22
C#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004662615	0	33	-1.0	-46.33	293.84	2.58	-43.75
C#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004662615	1	33	-1.0	-46.38	293.89	2.59	-43.79
COC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662616	0	39	-1.0	-46.81	309.45	2.57	-44.24
COC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662616	1	39	-1.0	-46.82	309.50	2.59	-44.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=C1	REAL250004662617	0	35	-1.0	-48.75	301.49	2.07	-46.68
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=C1	REAL250004662617	1	35	-1.0	-48.78	301.54	2.08	-46.70
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=C1	REAL250004662618	0	35	-1.0	-40.10	312.08	1.86	-38.24
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=C1	REAL250004662618	1	35	-1.0	-40.09	312.15	1.87	-38.22
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662619	0	36	-1.0	-35.02	299.56	3.56	-31.46
O=C(NC1CCC[C@@H]2C[C@@H]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662619	1	36	-1.0	-35.04	299.63	3.58	-31.46
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=N1)C1CC1	REAL250004662620	0	38	-1.0	-50.09	313.05	5.57	-44.52
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=N1)C1CC1	REAL250004662620	1	38	-1.0	-50.07	313.11	5.59	-44.48
CC(C)N(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004662621	0	38	-1.0	-46.66	317.43	5.92	-40.74
CC(C)N(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004662621	1	38	-1.0	-46.66	317.49	5.93	-40.73
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004662624	0	40	-1.0	-46.11	306.12	5.15	-40.96
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004662624	1	40	-1.0	-46.09	306.18	5.17	-40.92
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL250004662625	0	34	-1.0	-45.21	295.44	1.80	-43.41
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL250004662625	1	34	-1.0	-45.25	295.38	1.78	-43.47
CC1=CN=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662626	0	37	-1.0	-45.24	317.35	2.59	-42.65
CC1=CN=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662626	1	37	-1.0	-45.21	317.30	2.58	-42.63
CC1=NC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004662627	0	36	-1.0	-46.81	303.05	0.15	-46.66
CC1=NC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004662627	1	36	-1.0	-46.78	303.11	0.17	-46.61
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004662628	0	35	-1.0	-44.48	299.03	3.88	-40.60
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004662628	1	35	-1.0	-44.48	299.09	3.89	-40.59
CCNC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662629	0	38	-1.0	-48.20	310.01	0.48	-47.72
CCNC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662629	1	38	-1.0	-48.19	310.06	0.50	-47.69
O=C(NC1(CO)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662630	0	33	-1.0	-37.45	284.75	-1.11	-38.56
O=C(NC1(CO)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662630	1	33	-1.0	-37.41	284.82	-1.10	-38.51
O=C(CCCC1=NN=N[N-]1)NC1=CN2N=CN=C2C=C1	REAL250004662631	0	31	-1.0	-50.63	278.30	3.81	-46.82
O=C(CCCC1=N[N-]N=N1)NC1=CN2N=CN=C2C=C1	REAL250004662631	1	31	-1.0	-50.57	278.24	3.80	-46.77
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004662632	0	35	-1.0	-35.83	293.47	3.21	-32.62
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004662632	1	35	-1.0	-35.80	293.54	3.21	-32.59
CN1C=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004662633	0	38	-1.0	-48.97	311.37	2.54	-46.43
CN1C=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004662633	1	38	-1.0	-48.96	311.32	2.53	-46.43
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662634	0	36	-1.0	-46.99	296.41	1.50	-45.49
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662634	1	36	-1.0	-46.95	296.46	1.51	-45.44
COCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004662635	0	36	-1.0	-36.93	307.00	1.30	-35.63
COCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004662635	1	36	-1.0	-36.88	307.07	1.30	-35.58
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662636	0	38	-1.0	-46.18	316.11	3.51	-42.67
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662636	1	38	-1.0	-46.20	316.17	3.53	-42.67
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662637	0	40	-1.0	-47.12	315.81	3.76	-43.36
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662637	1	40	-1.0	-47.16	315.87	3.77	-43.39
CC(C)(CO)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662638	0	33	-1.0	-36.61	289.07	-0.24	-36.85
CC(C)(CO)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662638	1	33	-1.0	-36.61	289.14	-0.24	-36.85
CC(C)C(CO)ONC(=O)CCCC1=N[N-]N=N1	REAL250004662639	0	36	-1.0	-53.85	301.56	0.58	-53.27
CC(C)C(CO)ONC(=O)CCCC1=NN=N[N-]1	REAL250004662639	1	36	-1.0	-53.86	301.62	0.59	-53.27
NC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004662640	0	37	-1.0	-53.08	312.37	-0.94	-54.02
NC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004662640	1	37	-1.0	-53.12	312.43	-0.92	-54.04
C[C@@H](O)[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662641	0	33	-1.0	-36.41	285.71	-2.60	-39.01
C[C@@H](O)[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662641	1	33	-1.0	-36.40	285.78	-2.59	-38.99
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004662642	0	31	-1.0	-47.66	276.49	-0.94	-48.60
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004662642	1	31	-1.0	-47.73	276.55	-0.92	-48.65
CC1=NC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004662643	0	31	-1.0	-37.85	287.09	-1.15	-39.00
CC1=NC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004662643	1	31	-1.0	-37.88	287.15	-1.15	-39.03
CCOCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662644	0	42	-1.0	-46.34	322.26	5.49	-40.85
CCOCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662644	1	42	-1.0	-46.37	322.32	5.50	-40.87
CCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662645	0	31	-1.0	-45.24	280.42	2.89	-42.35
CCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662645	1	31	-1.0	-45.26	280.48	2.90	-42.36
CC[C@@H]1OCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662646	0	36	-1.0	-46.50	296.70	1.56	-44.94
CC[C@@H]1OCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662646	1	36	-1.0	-46.48	296.76	1.58	-44.90
CC[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662647	0	36	-1.0	-34.76	307.61	1.32	-33.44
CC[C@@H]1OCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662647	1	36	-1.0	-34.69	307.68	1.34	-33.35
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004662648	0	41	-1.0	-46.61	325.28	4.96	-41.65
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004662648	1	41	-1.0	-46.62	325.34	4.97	-41.65
O=C(CCCC1=N[N-]N=N1)N1CC(F)(F)C(F)(F)C1	REAL250004662649	0	29	-1.0	-45.99	268.37	3.18	-42.81
O=C(CCCC1=NN=N[N-]1)N1CC(F)(F)C(F)(F)C1	REAL250004662649	1	29	-1.0	-45.99	268.42	3.20	-42.79
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004662650	0	44	-1.0	-46.92	340.41	5.97	-40.95
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004662650	1	44	-1.0	-46.92	340.47	5.99	-40.93
CCCC(O)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004662651	0	39	-1.0	-46.38	317.56	-0.86	-47.24
CCCC(O)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004662651	1	39	-1.0	-46.36	317.62	-0.84	-47.20
CC1(C)C[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662652	0	32	-1.0	-34.99	279.62	2.49	-32.50
CC1(C)C[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662652	1	32	-1.0	-34.96	279.69	2.49	-32.47
CC(C)(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004662653	0	44	-1.0	-46.86	333.39	4.61	-42.25
CC(C)(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004662653	1	44	-1.0	-46.80	333.45	4.62	-42.18
CC1C(CO)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662654	0	39	-1.0	-49.26	300.67	1.39	-47.87
CC1C(CO)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662654	1	39	-1.0	-49.29	300.73	1.40	-47.89
CN(CC1=NOC(C2CC2)=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004662655	0	37	-1.0	-52.70	320.11	2.68	-50.02
CN(CC1=NOC(C2CC2)=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004662655	1	37	-1.0	-52.75	320.17	2.69	-50.06
NC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662656	0	36	-1.0	-50.41	299.25	-0.80	-51.21
NC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662656	1	36	-1.0	-50.43	299.30	-0.78	-51.21
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004662657	0	38	-1.0	-46.23	296.72	3.70	-42.53
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004662657	1	38	-1.0	-46.28	296.78	3.71	-42.57
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL250004662658	0	38	-1.0	-35.30	313.64	3.87	-31.43
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL250004662658	1	38	-1.0	-35.31	313.71	3.89	-31.42
CC(=O)C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004662659	0	38	-1.0	-54.28	322.42	5.41	-48.87
CC(=O)C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004662659	1	38	-1.0	-54.29	322.48	5.42	-48.87
CC(O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004662660	0	37	-1.0	-48.73	298.90	-0.20	-48.93
CC(O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004662660	1	37	-1.0	-48.76	298.95	-0.18	-48.94
CC(C)N1N=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662661	0	34	-1.0	-53.90	292.92	6.02	-47.88
CC(C)N1N=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662661	1	34	-1.0	-53.93	292.87	6.00	-47.93
CC(C)N1N=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662662	0	34	-1.0	-38.46	303.50	5.80	-32.66
CC(C)N1N=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662662	1	34	-1.0	-38.48	303.44	5.80	-32.68
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN1C1CC1	REAL250004662663	0	33	-1.0	-56.20	285.15	6.02	-50.18
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN1C1CC1	REAL250004662663	1	33	-1.0	-56.19	285.09	6.00	-50.19
O=C(NC1=NC=CN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662664	0	33	-1.0	-41.23	295.73	5.79	-35.44
O=C(NC1=NC=CN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662664	1	33	-1.0	-41.26	295.67	5.79	-35.47
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC(F)=C1F	REAL250004662665	0	32	-1.0	-45.98	283.40	4.35	-41.63
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC(F)=C1F	REAL250004662665	1	32	-1.0	-45.98	283.46	4.36	-41.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCO)=C1	REAL250004662666	0	36	-1.0	-48.99	307.60	1.45	-47.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCO)=C1	REAL250004662666	1	36	-1.0	-49.02	307.66	1.46	-47.56
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662667	0	39	-1.0	-49.13	318.17	2.57	-46.56
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662667	1	39	-1.0	-49.13	318.23	2.58	-46.55
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)[C@@H]2COC[C@@H]21	REAL250004662668	0	40	-1.0	-47.79	311.18	3.25	-44.54
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)[C@@H]2COC[C@@H]21	REAL250004662668	1	40	-1.0	-47.79	311.23	3.27	-44.52
C=CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662670	0	42	-1.0	-48.55	347.63	6.46	-42.09
C=CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662670	1	42	-1.0	-48.58	347.68	6.48	-42.10
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)C1	REAL250004662671	0	41	-1.0	-47.05	314.99	5.39	-41.66
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)C1	REAL250004662671	1	41	-1.0	-47.09	315.05	5.40	-41.69
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC(F)(F)[C@H]1O	REAL250004662672	0	36	-1.0	-51.52	302.72	0.02	-51.50
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC(F)(F)[C@H]1O	REAL250004662672	1	36	-1.0	-51.53	302.78	0.04	-51.49
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CO1	REAL250004662673	0	33	-1.0	-50.28	291.15	3.17	-47.11
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CO1	REAL250004662673	1	33	-1.0	-50.31	291.21	3.19	-47.12
O=C(N[C@@H]1C[C@H]1C1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662674	0	33	-1.0	-37.52	301.75	2.96	-34.56
O=C(N[C@@H]1C[C@H]1C1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662674	1	33	-1.0	-37.53	301.82	2.97	-34.56
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCSC2)C1	REAL250004662675	0	40	-1.0	-47.78	316.34	5.98	-41.80
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCSC2)C1	REAL250004662675	1	40	-1.0	-47.78	316.40	5.99	-41.79
CC1(CC(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662676	0	35	-1.0	-50.11	299.68	4.23	-45.88
CC1(CC(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662676	1	35	-1.0	-50.13	299.74	4.25	-45.88
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004662677	0	45	-1.0	-48.46	343.68	6.47	-41.99
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004662677	1	45	-1.0	-48.47	343.73	6.49	-41.98
O=C(CCCC1=N[N-]N=N1)N1CCOC(CF)C1	REAL250004662678	0	33	-1.0	-47.84	275.81	2.09	-45.75
O=C(CCCC1=NN=N[N-]1)N1CCOC(CF)C1	REAL250004662678	1	33	-1.0	-47.84	275.87	2.10	-45.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(CF)C1	REAL250004662679	0	33	-1.0	-36.14	283.28	2.32	-33.82
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(CF)C1	REAL250004662679	1	33	-1.0	-36.13	283.35	2.35	-33.78
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N=NN1C	REAL250004662680	0	31	-1.0	-61.26	270.77	1.54	-59.72
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N=NN1C	REAL250004662680	1	31	-1.0	-61.29	270.82	1.55	-59.74
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=NN1C	REAL250004662681	0	31	-1.0	-45.22	282.30	1.35	-43.87
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=NN1C	REAL250004662681	1	31	-1.0	-45.23	282.35	1.38	-43.85
CC1=CC(C#N)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662682	0	33	-1.0	-52.24	295.26	4.42	-47.82
CC1=CC(C#N)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662682	1	33	-1.0	-52.28	295.32	4.43	-47.85
COCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662683	0	39	-1.0	-46.29	300.46	4.56	-41.73
COCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662683	1	39	-1.0	-46.30	300.51	4.57	-41.73
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCO)C1	REAL250004662684	0	39	-1.0	-48.92	317.31	1.63	-47.29
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCO)C1	REAL250004662684	1	39	-1.0	-48.97	317.37	1.65	-47.32
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCCCC2=N1	REAL250004662685	0	35	-1.0	-55.05	294.23	5.37	-49.68
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCCCC2=N1	REAL250004662685	1	35	-1.0	-55.10	294.29	5.39	-49.71
CN1N=CC2=C1CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004662686	0	39	-1.0	-52.61	313.67	4.09	-48.52
CN1N=CC2=C1CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004662686	1	39	-1.0	-52.65	313.73	4.10	-48.55
CN(C)C(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662687	0	39	-1.0	-58.91	314.53	2.75	-56.16
CN(C)C(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662687	1	39	-1.0	-58.94	314.58	2.77	-56.17
COCC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662688	0	42	-1.0	-48.64	335.21	2.86	-45.78
COCC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662688	1	42	-1.0	-48.65	335.26	2.87	-45.78
CCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662689	0	42	-1.0	-48.63	335.55	3.19	-45.44
CCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662689	1	42	-1.0	-48.64	335.61	3.20	-45.44
O=C(CCCC1=N[N-]N=N1)N1CCSC2(CCC2)CC1	REAL250004662690	0	40	-1.0	-46.32	310.89	6.08	-40.24
O=C(CCCC1=NN=N[N-]1)N1CCSC2(CCC2)CC1	REAL250004662690	1	40	-1.0	-46.33	310.95	6.10	-40.23
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCCOC1	REAL250004662691	0	40	-1.0	-46.50	319.76	-0.91	-47.41
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCCOC1	REAL250004662691	1	40	-1.0	-46.54	319.82	-0.90	-47.44
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCC2)C1	REAL250004662692	0	39	-1.0	-47.29	312.02	5.51	-41.78
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCC2)C1	REAL250004662692	1	39	-1.0	-47.25	312.07	5.52	-41.73
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2CCC2)C1	REAL250004662693	0	39	-1.0	-35.90	318.81	5.66	-30.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2CCC2)C1	REAL250004662693	1	39	-1.0	-35.84	318.88	5.66	-30.18
C=C(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662694	0	32	-1.0	-34.70	285.67	2.22	-32.48
C=C(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662694	1	32	-1.0	-34.70	285.74	2.23	-32.47
CC1=CC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004662695	0	37	-1.0	-47.19	313.16	2.82	-44.37
CC1=CC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004662695	1	37	-1.0	-47.20	313.21	2.84	-44.36
CC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004662696	0	41	-1.0	-49.49	334.70	6.79	-42.70
CC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004662696	1	41	-1.0	-49.50	334.76	6.81	-42.69
O=C(CCCC1=N[N-]N=N1)NCC1CCCC1C1CC1	REAL250004662697	0	42	-1.0	-46.65	330.67	5.01	-41.64
O=C(CCCC1=NN=N[N-]1)NCC1CCCC1C1CC1	REAL250004662697	1	42	-1.0	-46.71	330.73	5.02	-41.69
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CS1	REAL250004662698	0	33	-1.0	-47.98	283.81	3.03	-44.95
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CS1	REAL250004662698	1	33	-1.0	-47.99	283.87	3.05	-44.94
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CS1	REAL250004662699	0	33	-1.0	-35.57	294.40	2.83	-32.74
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CS1	REAL250004662699	1	33	-1.0	-35.53	294.47	2.83	-32.70
COC(C)(C(C)NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662700	0	42	-1.0	-45.75	320.62	2.88	-42.87
COC(C)(C(C)NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662700	1	42	-1.0	-45.79	320.67	2.90	-42.89
CNC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662701	0	41	-1.0	-51.16	331.61	0.61	-50.55
CNC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662701	1	41	-1.0	-51.19	331.67	0.63	-50.56
CC(C)NC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662702	0	38	-1.0	-47.47	318.33	0.62	-46.85
CC(C)NC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662702	1	38	-1.0	-47.46	318.38	0.63	-46.83
CCN1N=C(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662703	0	34	-1.0	-54.77	294.72	5.14	-49.63
CCN1N=C(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662703	1	34	-1.0	-54.80	294.78	5.16	-49.64
CCN1N=C(C)N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662704	0	34	-1.0	-39.29	305.29	4.94	-34.35
CCN1N=C(C)N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662704	1	34	-1.0	-39.26	305.36	4.94	-34.32
CCS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662705	0	37	-1.0	-55.14	325.77	-0.34	-55.48
CCS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662705	1	37	-1.0	-55.09	325.83	-0.32	-55.41
CCCC1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662706	0	47	-1.0	-46.81	351.12	5.48	-41.33
CCCC1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662706	1	47	-1.0	-46.81	351.17	5.49	-41.32
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004662707	0	33	-1.0	-49.36	305.84	3.92	-45.44
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004662707	1	33	-1.0	-49.39	305.90	3.93	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC2=N1	REAL250004662708	0	32	-1.0	-56.25	280.58	4.11	-52.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC2=N1	REAL250004662708	1	32	-1.0	-56.25	280.64	4.12	-52.13
CS(=O)(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662709	0	32	-1.0	-58.18	288.87	-0.43	-58.61
CS(=O)(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662709	1	32	-1.0	-58.18	288.93	-0.42	-58.60
O=C(CCCC1=N[N-]N=N1)NCC1CNC(=O)C1	REAL250004662710	0	33	-1.0	-51.99	281.58	-1.14	-53.13
O=C(CCCC1=NN=N[N-]1)NCC1CNC(=O)C1	REAL250004662710	1	33	-1.0	-51.95	281.64	-1.12	-53.07
O=C(NCC1CNC(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662711	0	33	-1.0	-40.48	292.16	-1.35	-41.83
O=C(NCC1CNC(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662711	1	33	-1.0	-40.44	292.23	-1.35	-41.79
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662712	0	36	-1.0	-45.92	293.92	1.30	-44.62
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662712	1	36	-1.0	-45.95	293.98	1.32	-44.63
COC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004662713	0	36	-1.0	-35.87	304.51	1.10	-34.77
COC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004662713	1	36	-1.0	-35.88	304.58	1.09	-34.79
O=C(CCCC1=N[N-]N=N1)NCCS(=O)(=O)C1CC1	REAL250004662714	0	35	-1.0	-58.76	313.48	-0.25	-59.01
O=C(CCCC1=NN=N[N-]1)NCCS(=O)(=O)C1CC1	REAL250004662714	1	35	-1.0	-58.72	313.54	-0.23	-58.95
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H]1O	REAL250004662715	0	36	-1.0	-48.24	295.92	-0.20	-48.44
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H]1O	REAL250004662715	1	36	-1.0	-48.27	295.97	-0.19	-48.46
O=C(NC[C@@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662716	0	36	-1.0	-36.61	305.82	-0.41	-37.02
O=C(NC[C@@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662716	1	36	-1.0	-36.58	305.89	-0.40	-36.98
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCCC1	REAL250004662717	0	45	-1.0	-48.80	338.36	1.66	-47.14
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCCC1	REAL250004662717	1	45	-1.0	-48.85	338.41	1.68	-47.17
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCC1	REAL250004662718	0	36	-1.0	-45.89	295.07	0.32	-45.57
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCC1	REAL250004662718	1	36	-1.0	-45.89	295.13	0.33	-45.56
O=C(NCC(O)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662719	0	36	-1.0	-35.87	305.67	0.10	-35.77
O=C(NCC(O)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662719	1	36	-1.0	-35.85	305.74	0.12	-35.73
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004662720	0	35	-1.0	-49.05	307.44	4.47	-44.58
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004662720	1	35	-1.0	-49.03	307.50	4.48	-44.55
COCCC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662721	0	38	-1.0	-48.16	311.45	1.67	-46.49
COCCC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662721	1	38	-1.0	-48.14	311.51	1.69	-46.45
COCCC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662722	0	38	-1.0	-36.12	322.04	1.46	-34.66
COCCC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662722	1	38	-1.0	-36.10	322.11	1.48	-34.62
CCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662723	0	35	-1.0	-50.06	303.49	2.03	-48.03
CCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662723	1	35	-1.0	-50.09	303.55	2.05	-48.04
CCN1C=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004662724	0	35	-1.0	-39.75	314.08	1.83	-37.92
CCN1C=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004662724	1	35	-1.0	-39.73	314.15	1.83	-37.90
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(C)C	REAL250004662725	0	41	-1.0	-46.17	318.55	1.26	-44.91
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(C)C	REAL250004662725	1	41	-1.0	-46.18	318.61	1.27	-44.91
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)S1	REAL250004662726	0	34	-1.0	-48.88	311.59	1.88	-47.00
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)S1	REAL250004662726	1	34	-1.0	-48.93	311.65	1.90	-47.03
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004662727	0	42	-1.0	-48.11	332.48	3.12	-44.99
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004662727	1	42	-1.0	-48.14	332.54	3.13	-45.01
CC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662728	0	37	-1.0	-54.79	313.48	4.37	-50.42
CC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662728	1	37	-1.0	-54.77	313.54	4.39	-50.38
CCON(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004662729	0	39	-1.0	-44.64	328.84	6.24	-38.40
CCON(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004662729	1	39	-1.0	-44.65	328.89	6.25	-38.40
COC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662730	0	35	-1.0	-50.52	302.44	1.01	-49.51
COC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662730	1	35	-1.0	-50.53	302.50	1.03	-49.50
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662731	0	44	-1.0	-46.02	335.15	4.76	-41.26
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662731	1	44	-1.0	-46.02	335.20	4.78	-41.24
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCC(C)C1	REAL250004662732	0	44	-1.0	-46.21	327.04	4.74	-41.47
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCC(C)C1	REAL250004662732	1	44	-1.0	-46.18	327.10	4.76	-41.42
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662733	0	35	-1.0	-47.99	300.84	2.54	-45.45
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662733	1	35	-1.0	-47.99	300.90	2.56	-45.43
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004662734	0	40	-1.0	-51.23	323.98	3.53	-47.70
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004662734	1	40	-1.0	-51.21	323.92	3.52	-47.69
CC1(C)CCC(C)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662735	0	47	-1.0	-45.78	345.13	5.22	-40.56
CC1(C)CCC(C)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662735	1	47	-1.0	-45.80	345.19	5.24	-40.56
COC1(C(C)NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662736	0	39	-1.0	-45.70	308.70	2.06	-43.64
COC1(C(C)NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662736	1	39	-1.0	-45.69	308.76	2.07	-43.62
C[C@H]1C[C@@H](O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662737	0	36	-1.0	-47.09	288.79	0.86	-46.23
C[C@H]1C[C@@H](O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662737	1	36	-1.0	-47.09	288.84	0.87	-46.22
C[C@H]1C[C@@H](O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662738	0	36	-1.0	-35.28	296.91	1.06	-34.22
C[C@H]1C[C@@H](O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662738	1	36	-1.0	-35.23	296.98	1.06	-34.17
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662739	0	30	-1.0	-37.67	265.62	-1.38	-39.05
O=C(N[C@H]1C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662739	1	30	-1.0	-37.65	265.69	-1.36	-39.01
CC1CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662740	0	36	-1.0	-47.10	288.78	0.86	-46.24
CC1CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662740	1	36	-1.0	-47.10	288.84	0.87	-46.23
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)OCC1CC1	REAL250004662741	0	42	-1.0	-46.64	337.49	3.35	-43.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)OCC1CC1	REAL250004662741	1	42	-1.0	-46.66	337.54	3.37	-43.29
CCC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004662742	0	37	-1.0	-46.32	306.53	3.44	-42.88
CCC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004662742	1	37	-1.0	-46.36	306.58	3.45	-42.91
CCOC(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662743	0	37	-1.0	-50.45	314.59	4.28	-46.17
CCOC(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662743	1	37	-1.0	-50.48	314.65	4.30	-46.18
CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC	REAL250004662744	0	35	-1.0	-47.36	289.88	-0.41	-47.77
CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC	REAL250004662744	1	35	-1.0	-47.37	289.93	-0.39	-47.76
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)NC	REAL250004662745	0	35	-1.0	-40.78	300.46	-0.63	-41.41
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)NC	REAL250004662745	1	35	-1.0	-40.82	300.53	-0.62	-41.44
O=C(CCCC1=N[N-]N=N1)NC1CC12CCC(F)(F)CC2	REAL250004662746	0	39	-1.0	-47.23	320.80	4.74	-42.49
O=C(CCCC1=NN=N[N-]1)NC1CC12CCC(F)(F)CC2	REAL250004662746	1	39	-1.0	-47.26	320.86	4.76	-42.50
CC(C)(C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662747	0	44	-1.0	-47.14	333.36	5.71	-41.43
CC(C)(C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662747	1	44	-1.0	-47.14	333.42	5.72	-41.42
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004662748	0	38	-1.0	-46.17	310.41	4.93	-41.24
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004662748	1	38	-1.0	-46.16	310.46	4.95	-41.21
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004662749	0	38	-1.0	-46.17	310.46	4.93	-41.24
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004662749	1	38	-1.0	-46.19	310.51	4.95	-41.24
CC1=NN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N1	REAL250004662750	0	38	-1.0	-56.94	317.51	3.72	-53.22
CC1=NN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N1	REAL250004662750	1	38	-1.0	-56.98	317.57	3.74	-53.24
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(CO)C1	REAL250004662751	0	37	-1.0	-53.54	298.36	-2.37	-55.91
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(CO)C1	REAL250004662751	1	37	-1.0	-53.56	298.42	-2.36	-55.92
CC1=CC=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004662752	0	38	-1.0	-46.95	318.00	4.98	-41.97
CC1=CC=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004662752	1	38	-1.0	-46.97	318.05	4.99	-41.98
CCN1C=CC=C(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004662753	0	35	-1.0	-62.92	300.84	4.20	-58.72
CCN1C=CC=C(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004662753	1	35	-1.0	-62.95	300.90	4.21	-58.74
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)C(C)O1	REAL250004662754	0	39	-1.0	-46.69	311.66	1.93	-44.76
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C(C)O1	REAL250004662754	1	39	-1.0	-46.73	311.72	1.94	-44.79
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004662755	0	34	-1.0	-46.53	293.92	3.00	-43.53
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004662755	1	34	-1.0	-46.56	293.98	3.02	-43.54
CCN(CC1=C(C)C=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004662756	0	38	-1.0	-51.52	310.35	4.95	-46.57
CCN(CC1=C(C)C=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004662756	1	38	-1.0	-51.56	310.40	4.97	-46.59
COC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662757	0	41	-1.0	-48.67	329.06	4.89	-43.78
COC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662757	1	41	-1.0	-48.71	329.12	4.91	-43.80
COC(=O)C1(C)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662758	0	41	-1.0	-51.79	326.74	4.95	-46.84
COC(=O)C1(C)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662758	1	41	-1.0	-51.82	326.80	4.97	-46.85
NC(=O)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662759	0	37	-1.0	-50.30	295.52	-0.52	-50.82
NC(=O)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662759	1	37	-1.0	-50.37	295.58	-0.50	-50.87
COC(=O)C(CC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662760	0	38	-1.0	-50.02	325.94	4.00	-46.02
COC(=O)C(CC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662760	1	38	-1.0	-50.07	326.00	4.02	-46.05
O=C(CCCC1=N[N-]N=N1)NCC1=NN2C=CC=NC2=N1	REAL250004662761	0	33	-1.0	-57.59	296.30	3.58	-54.01
O=C(CCCC1=NN=N[N-]1)NCC1=NN2C=CC=NC2=N1	REAL250004662761	1	33	-1.0	-57.55	296.35	3.59	-53.96
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CSN=N1	REAL250004662762	0	30	-1.0	-47.00	277.03	0.76	-46.24
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CSN=N1	REAL250004662762	1	30	-1.0	-47.00	277.09	0.77	-46.23
COCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662763	0	38	-1.0	-48.73	313.94	3.20	-45.53
COCCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662763	1	38	-1.0	-48.76	314.00	3.21	-45.55
COCCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662764	0	38	-1.0	-36.77	321.62	3.59	-33.18
COCCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662764	1	38	-1.0	-36.75	321.70	3.63	-33.12
O=C(CCCC1=N[N-]N=N1)NC1CCN(CC(F)F)C1	REAL250004662765	0	37	-1.0	-48.89	306.69	0.61	-48.28
O=C(CCCC1=NN=N[N-]1)NC1CCN(CC(F)F)C1	REAL250004662765	1	37	-1.0	-48.90	306.75	0.63	-48.27
N#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004662766	0	33	-1.0	-40.10	296.12	2.53	-37.57
N#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004662766	1	33	-1.0	-40.11	296.18	2.53	-37.58
O=C(CCCC1=N[N-]N=N1)NCCCC1(O)CCC1	REAL250004662767	0	39	-1.0	-48.39	318.21	0.89	-47.50
O=C(CCCC1=NN=N[N-]1)NCCCC1(O)CCC1	REAL250004662767	1	39	-1.0	-48.40	318.26	0.90	-47.50
CC1CCC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004662768	0	36	-1.0	-49.28	281.16	1.02	-48.26
CC1CCC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004662768	1	36	-1.0	-49.26	281.22	1.04	-48.22
CC1CCC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662769	0	36	-1.0	-36.16	289.08	1.25	-34.91
CC1CCC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662769	1	36	-1.0	-36.18	289.14	1.28	-34.90
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=NN=C1	REAL250004662770	0	31	-1.0	-49.00	282.05	-0.63	-49.63
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=NN=C1	REAL250004662770	1	31	-1.0	-49.02	282.11	-0.61	-49.63
CON1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662771	0	38	-1.0	-47.45	304.86	0.30	-47.15
CON1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662771	1	38	-1.0	-47.44	304.91	0.32	-47.12
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCO)CC1	REAL250004662772	0	42	-1.0	-49.90	321.82	2.50	-47.40
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCO)CC1	REAL250004662772	1	42	-1.0	-49.88	321.87	2.52	-47.36
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NN=NN2CC1	REAL250004662773	0	37	-1.0	-50.76	305.29	1.20	-49.56
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NN=NN2CC1	REAL250004662773	1	37	-1.0	-50.78	305.34	1.22	-49.56
COC(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL250004662774	0	41	-1.0	-47.16	328.03	2.54	-44.62
COC(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL250004662774	1	41	-1.0	-47.23	328.09	2.55	-44.68
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CO)C1	REAL250004662775	0	33	-1.0	-38.86	282.18	0.30	-38.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CO)C1	REAL250004662775	1	33	-1.0	-38.83	282.25	0.30	-38.53
CN1CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)OC1=O	REAL250004662776	0	35	-1.0	-52.50	301.11	1.64	-50.86
CN1CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)OC1=O	REAL250004662776	1	35	-1.0	-52.46	301.17	1.65	-50.81
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOC2	REAL250004662777	0	34	-1.0	-52.29	279.85	1.91	-50.38
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOC2	REAL250004662777	1	34	-1.0	-52.29	279.90	1.93	-50.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCOC2	REAL250004662778	0	34	-1.0	-40.58	288.32	1.81	-38.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCOC2	REAL250004662778	1	34	-1.0	-40.59	288.39	1.81	-38.78
O=C(NCC1CC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662779	0	33	-1.0	-34.99	293.80	3.30	-31.69
O=C(NCC1CC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662779	1	33	-1.0	-35.02	293.87	3.31	-31.71
CCC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662781	0	32	-1.0	-36.26	283.00	-1.48	-37.74
CCC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662781	1	32	-1.0	-36.27	283.07	-1.47	-37.74
COC1(C(C)NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004662783	0	43	-1.0	-47.01	323.40	1.82	-45.19
COC1(C(C)NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004662783	1	43	-1.0	-46.98	323.46	1.82	-45.16
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C(C)C	REAL250004662784	0	38	-1.0	-49.87	316.93	4.12	-45.75
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C(C)C	REAL250004662784	1	38	-1.0	-49.85	316.99	4.14	-45.71
CON(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662785	0	33	-1.0	-46.54	288.35	-0.06	-46.60
CON(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662785	1	33	-1.0	-46.55	288.41	-0.05	-46.60
CON(C)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662786	0	33	-1.0	-38.58	298.95	-0.28	-38.86
CON(C)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662786	1	33	-1.0	-38.55	299.01	-0.27	-38.82
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(OC(C)(C)C)C1	REAL250004662787	0	45	-1.0	-46.61	349.45	4.64	-41.97
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(OC(C)(C)C)C1	REAL250004662787	1	45	-1.0	-46.64	349.51	4.66	-41.98
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2CC2)C1	REAL250004662788	0	37	-1.0	-56.73	312.60	3.79	-52.94
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2CC2)C1	REAL250004662788	1	37	-1.0	-56.75	312.66	3.81	-52.94
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2CCC2)CC1	REAL250004662789	0	43	-1.0	-47.89	338.44	4.99	-42.90
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2CCC2)CC1	REAL250004662789	1	43	-1.0	-47.93	338.50	5.00	-42.93
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004662790	0	36	-1.0	-45.63	309.46	3.71	-41.92
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004662790	1	36	-1.0	-45.68	309.52	3.72	-41.96
O=C(NCC1CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662791	0	29	-1.0	-37.67	273.36	1.96	-35.71
O=C(NCC1CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662791	1	29	-1.0	-37.68	273.42	1.97	-35.71
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H](O)CC1	REAL250004662792	0	36	-1.0	-49.17	292.51	-0.18	-49.35
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H](O)CC1	REAL250004662792	1	36	-1.0	-49.19	292.57	-0.16	-49.35
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662793	0	36	-1.0	-36.81	303.10	-0.38	-37.19
O=C(N[C@H]1CC[C@H](O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662793	1	36	-1.0	-36.83	303.17	-0.36	-37.19
CN(CC1=NNC(=O)O1)C(=O)CCCC1=N[N-]N=N1	REAL250004662794	1	31	-1.0	-51.64	277.45	-1.88	-53.52
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCO2)CC1	REAL250004662795	0	37	-1.0	-47.55	294.44	2.87	-44.68
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCO2)CC1	REAL250004662795	1	37	-1.0	-47.58	294.50	2.89	-44.69
O=C(CCCC1=N[N-]N=N1)NC1COCC2=CC=CC=C21	REAL250004662797	0	37	-1.0	-48.33	309.06	3.13	-45.20
O=C(CCCC1=NN=N[N-]1)NC1COCC2=CC=CC=C21	REAL250004662797	1	37	-1.0	-48.29	309.12	3.15	-45.14
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(C)=N1	REAL250004662798	0	37	-1.0	-46.92	317.19	2.93	-43.99
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(C)=N1	REAL250004662798	1	37	-1.0	-46.93	317.24	2.95	-43.98
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CC1(C)C	REAL250004662799	0	41	-1.0	-45.77	322.15	5.27	-40.50
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CC1(C)C	REAL250004662799	1	41	-1.0	-45.83	322.21	5.29	-40.54
C[C@@]1(O)C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662800	0	33	-1.0	-36.40	287.60	-1.13	-37.53
C[C@@]1(O)C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662800	1	33	-1.0	-36.43	287.67	-1.13	-37.56
O=C(CCCC1=N[N-]N=N1)NCC1CC2C=CC1CC2	REAL250004662801	0	40	-1.0	-47.11	313.92	4.60	-42.51
O=C(CCCC1=NN=N[N-]1)NCC1CC2C=CC1CC2	REAL250004662801	1	40	-1.0	-47.15	313.97	4.62	-42.53
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1C(C)(C)C	REAL250004662802	0	47	-1.0	-50.41	320.30	6.11	-44.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1C(C)(C)C	REAL250004662802	1	47	-1.0	-50.43	320.35	6.12	-44.31
CCCN1CC(CNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004662803	0	42	-1.0	-52.11	346.92	2.92	-49.19
CCCN1CC(CNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004662803	1	42	-1.0	-52.14	346.98	2.93	-49.21
NC(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662806	0	36	-1.0	-55.83	306.32	-0.66	-56.49
NC(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662806	1	36	-1.0	-55.85	306.38	-0.65	-56.50
NC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662807	0	42	-1.0	-52.25	336.90	0.56	-51.69
NC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662807	1	42	-1.0	-52.24	336.96	0.57	-51.67
CC1CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004662808	0	30	-1.0	-49.86	269.37	1.81	-48.05
CC1CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004662808	1	30	-1.0	-49.90	269.42	1.83	-48.07
CC1CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004662809	0	30	-1.0	-37.28	279.93	1.61	-35.67
CC1CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL250004662809	1	30	-1.0	-37.27	280.00	1.61	-35.66
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C1C	REAL250004662810	0	38	-1.0	-46.89	296.59	4.60	-42.29
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C1C	REAL250004662810	1	38	-1.0	-46.93	296.65	4.60	-42.33
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1C	REAL250004662811	0	38	-1.0	-36.03	304.02	4.86	-31.17
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1C	REAL250004662811	1	38	-1.0	-35.99	304.08	4.87	-31.12
O=C(NC1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662812	0	33	-1.0	-35.03	284.40	3.09	-31.94
O=C(NC1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662812	1	33	-1.0	-34.98	284.47	3.09	-31.89
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@H](C2CC2)C1	REAL250004662813	0	42	-1.0	-46.96	332.12	5.21	-41.75
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@H](C2CC2)C1	REAL250004662813	1	42	-1.0	-46.97	332.18	5.22	-41.75
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(CO)O1	REAL250004662814	0	40	-1.0	-48.95	317.64	0.37	-48.58
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(CO)O1	REAL250004662814	1	40	-1.0	-49.00	317.70	0.39	-48.61
CC1CC(CO)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662815	0	39	-1.0	-50.99	309.41	1.47	-49.52
CC1CC(CO)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662815	1	39	-1.0	-50.98	309.46	1.48	-49.50
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC(CC)O1	REAL250004662816	0	42	-1.0	-46.07	331.94	4.34	-41.73
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC(CC)O1	REAL250004662816	1	42	-1.0	-46.10	332.00	4.35	-41.75
CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004662817	0	39	-1.0	-47.21	316.88	6.43	-40.78
CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004662817	1	39	-1.0	-47.21	316.93	6.44	-40.77
CC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662818	0	36	-1.0	-50.70	302.08	1.21	-49.49
CC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662818	1	36	-1.0	-50.72	302.14	1.22	-49.50
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCC2)C1	REAL250004662819	0	42	-1.0	-47.31	327.31	5.99	-41.32
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCC2)C1	REAL250004662819	1	42	-1.0	-47.33	327.36	6.00	-41.33
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)O2	REAL250004662821	0	32	-1.0	-60.50	280.11	-1.04	-61.54
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)O2	REAL250004662821	1	32	-1.0	-60.47	280.17	-1.02	-61.49
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL250004662822	0	38	-1.0	-47.72	324.83	3.10	-44.62
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL250004662822	1	38	-1.0	-47.73	324.89	3.12	-44.61
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCCCC1	REAL250004662823	0	45	-1.0	-46.14	351.04	2.19	-43.95
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCCCC1	REAL250004662823	1	45	-1.0	-46.11	351.09	2.21	-43.90
CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004662824	0	36	-1.0	-46.05	294.11	5.90	-40.15
CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004662824	1	36	-1.0	-46.10	294.16	5.91	-40.19
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004662825	0	35	-1.0	-49.89	296.56	3.30	-46.59
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004662825	1	35	-1.0	-49.92	296.62	3.31	-46.61
CCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004662826	0	35	-1.0	-39.62	307.12	3.10	-36.52
CCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004662826	1	35	-1.0	-39.56	307.19	3.12	-36.44
C=C[C@@H]1OCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662827	0	37	-1.0	-48.30	308.82	1.87	-46.43
C=C[C@@H]1OCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662827	1	37	-1.0	-48.29	308.88	1.89	-46.40
C=CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004662828	0	35	-1.0	-51.65	310.15	1.36	-50.29
C=CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004662828	1	35	-1.0	-51.65	310.20	1.37	-50.28
O=C(CCCC1=NN=N[N-]1)N1CCCC(N2C=CN=N2)C1	REAL250004662829	0	38	-1.0	-57.66	310.50	3.08	-54.58
O=C(CCCC1=N[N-]N=N1)N1CCCC(N2C=CN=N2)C1	REAL250004662829	1	38	-1.0	-57.68	310.44	3.07	-54.61
CS(=O)(=O)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662830	0	37	-1.0	-59.94	325.81	-0.44	-60.38
CS(=O)(=O)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662830	1	37	-1.0	-59.99	325.86	-0.43	-60.42
COC1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662831	0	34	-1.0	-48.32	301.38	-0.85	-49.17
COC1=CC=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662831	1	34	-1.0	-48.29	301.44	-0.84	-49.13
CN(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662832	0	31	-1.0	-35.98	273.53	2.11	-33.87
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662832	1	31	-1.0	-35.99	273.59	2.12	-33.87
O=C(CCCC1=N[N-]N=N1)N1CC(O)(C(F)F)C1	REAL250004662833	0	30	-1.0	-49.52	268.97	-0.48	-50.00
O=C(CCCC1=NN=N[N-]1)N1CC(O)(C(F)F)C1	REAL250004662833	1	30	-1.0	-49.48	269.03	-0.46	-49.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)(C(F)F)C1	REAL250004662834	0	30	-1.0	-39.56	276.99	-0.54	-40.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)(C(F)F)C1	REAL250004662834	1	30	-1.0	-39.55	277.05	-0.53	-40.08
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCCS1	REAL250004662835	0	34	-1.0	-48.26	300.93	1.56	-46.70
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCCS1	REAL250004662835	1	34	-1.0	-48.28	300.98	1.57	-46.71
CCC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662836	0	36	-1.0	-56.56	302.03	3.04	-53.52
CCC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662836	1	36	-1.0	-56.56	302.09	3.05	-53.51
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004662837	0	38	-1.0	-45.75	292.26	4.83	-40.92
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004662837	1	38	-1.0	-45.69	292.32	4.85	-40.84
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)C1	REAL250004662838	0	38	-1.0	-34.68	299.87	5.09	-29.59
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)C1	REAL250004662838	1	38	-1.0	-34.65	299.94	5.11	-29.54
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(O)CC2C1	REAL250004662839	0	40	-1.0	-49.23	314.31	1.92	-47.31
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(O)CC2C1	REAL250004662839	1	40	-1.0	-49.22	314.36	1.93	-47.29
CN1C(=O)CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004662841	0	35	-1.0	-56.06	297.24	0.64	-55.42
CN1C(=O)CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004662841	1	35	-1.0	-56.10	297.29	0.65	-55.45
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004662842	0	28	-1.0	-43.94	257.26	1.67	-42.27
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004662842	1	28	-1.0	-43.94	257.32	1.68	-42.26
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL250004662843	0	28	-1.0	-34.08	267.85	1.48	-32.60
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL250004662843	1	28	-1.0	-34.08	267.92	1.49	-32.59
O=C(NC1CC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662844	0	30	-1.0	-35.03	272.36	2.63	-32.40
O=C(NC1CC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662844	1	30	-1.0	-35.05	272.43	2.63	-32.42
O=C(CCCC1=N[N-]N=N1)NC1CC1(F)C1=CC=CC=C1	REAL250004662845	0	36	-1.0	-48.28	311.22	5.05	-43.23
O=C(CCCC1=NN=N[N-]1)NC1CC1(F)C1=CC=CC=C1	REAL250004662845	1	36	-1.0	-48.28	311.28	5.07	-43.21
O=C(CCCC1=N[N-]N=N1)N1CC(CC(F)F)C1	REAL250004662846	0	32	-1.0	-50.73	281.80	3.72	-47.01
O=C(CCCC1=NN=N[N-]1)N1CC(CC(F)F)C1	REAL250004662846	1	32	-1.0	-50.77	281.86	3.73	-47.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CC(F)F)C1	REAL250004662847	0	32	-1.0	-38.79	289.76	3.65	-35.14
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CC(F)F)C1	REAL250004662847	1	32	-1.0	-38.75	289.82	3.66	-35.09
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662848	0	36	-1.0	-35.02	309.56	3.86	-31.16
O=C(N[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662848	1	36	-1.0	-34.98	309.62	3.87	-31.11
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662849	0	33	-1.0	-39.31	294.29	2.65	-36.66
N#C[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662849	1	33	-1.0	-39.30	294.35	2.66	-36.64
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004662850	0	41	-1.0	-46.17	313.25	4.37	-41.80
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004662850	1	41	-1.0	-46.20	313.30	4.38	-41.82
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662851	0	39	-1.0	-48.43	329.38	6.92	-41.51
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662851	1	39	-1.0	-48.44	329.44	6.93	-41.51
COC(=O)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662852	0	35	-1.0	-55.42	301.65	3.28	-52.14
COC(=O)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662852	1	35	-1.0	-55.49	301.71	3.30	-52.19
CCN1N=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662853	0	37	-1.0	-48.27	318.25	1.05	-47.22
CCN1N=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662853	1	37	-1.0	-48.26	318.30	1.07	-47.19
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1CCC1	REAL250004662854	0	39	-1.0	-46.17	320.39	4.77	-41.40
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1CCC1	REAL250004662854	1	39	-1.0	-46.19	320.44	4.79	-41.40
O=C(NC[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662855	0	39	-1.0	-34.69	330.99	4.55	-30.14
O=C(NC[C@@H]1C[C@H]1C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662855	1	39	-1.0	-34.66	331.05	4.57	-30.09
CC(C)OCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662856	0	41	-1.0	-46.92	326.72	2.68	-44.24
CC(C)OCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662856	1	41	-1.0	-46.95	326.78	2.70	-44.25
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCSC2)C1	REAL250004662857	0	38	-1.0	-47.76	307.52	3.49	-44.27
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCSC2)C1	REAL250004662857	1	38	-1.0	-47.79	307.57	3.50	-44.29
O=C(N[C@H]1CCOC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662858	0	29	-1.0	-43.83	267.10	0.92	-42.91
O=C(N[C@H]1CCOC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662858	1	29	-1.0	-43.82	267.17	0.92	-42.90
COC(=O)C1=CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662859	0	36	-1.0	-47.93	303.62	4.12	-43.81
COC(=O)C1=CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662859	1	36	-1.0	-47.95	303.68	4.14	-43.81
O=C(CCCC1=N[N-]N=N1)NC1CC(N2CCOCC2)C1	REAL250004662860	0	42	-1.0	-47.48	335.47	0.34	-47.14
O=C(CCCC1=NN=N[N-]1)NC1CC(N2CCOCC2)C1	REAL250004662860	1	42	-1.0	-47.49	335.52	0.36	-47.13
O=C(CCCC1=N[N-]N=N1)NC1=CN(CCO)C(=O)C=C1	REAL250004662861	0	36	-1.0	-53.43	313.55	-0.23	-53.66
O=C(CCCC1=NN=N[N-]1)NC1=CN(CCO)C(=O)C=C1	REAL250004662861	1	36	-1.0	-53.45	313.61	-0.21	-53.66
CC1CN(C2CC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662862	1	41	-1.0	-45.23	313.16	3.07	-42.16
CC1CN(C2CC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662862	1	41	-1.0	-45.22	313.21	3.08	-42.14
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=NC=C2C1	REAL250004662863	0	36	-1.0	-53.37	300.06	3.82	-49.55
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=NC=C2C1	REAL250004662863	1	36	-1.0	-53.35	300.12	3.84	-49.51
CC1=NNC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662865	0	35	-1.0	-48.95	291.89	2.40	-46.55
CC1=NNC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662865	1	35	-1.0	-48.98	291.95	2.42	-46.56
CC1=NNC=C1CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662866	0	35	-1.0	-37.98	303.69	3.46	-34.52
CC1=NNC=C1CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662866	1	35	-1.0	-37.92	303.76	3.46	-34.46
COC1(OC)CCN(C(=O)CCCC2=N[N-]N=N2)CC1O	REAL250004662867	0	41	-1.0	-48.02	318.92	0.27	-47.75
COC1(OC)CCN(C(=O)CCCC2=NN=N[N-]2)CC1O	REAL250004662867	1	41	-1.0	-48.00	318.98	0.28	-47.72
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CO2)CC1	REAL250004662869	0	38	-1.0	-50.48	313.10	1.92	-48.56
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CO2)CC1	REAL250004662869	1	38	-1.0	-50.48	313.16	1.93	-48.55
O=C(CCCC1=N[N-]N=N1)N1CCN(CCCF)CC1	REAL250004662871	0	40	-1.0	-47.54	318.01	2.64	-44.90
O=C(CCCC1=NN=N[N-]1)N1CCN(CCCF)CC1	REAL250004662871	1	40	-1.0	-47.54	318.07	2.66	-44.88
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CN=CN2C1	REAL250004662872	0	36	-1.0	-51.03	300.04	3.79	-47.24
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CN=CN2C1	REAL250004662872	1	36	-1.0	-51.06	300.10	3.81	-47.25
CCC(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004662873	0	41	-1.0	-45.94	327.57	0.94	-45.00
CCC(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004662873	1	41	-1.0	-45.96	327.63	0.96	-45.00
CC1=CC=CC=C1C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662874	0	39	-1.0	-48.40	321.10	5.09	-43.31
CC1=CC=CC=C1C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662874	1	39	-1.0	-48.38	321.16	5.11	-43.27
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC1CC2	REAL250004662875	0	42	-1.0	-46.39	319.74	4.63	-41.76
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC1CC2	REAL250004662875	1	42	-1.0	-46.42	319.80	4.65	-41.77
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1CCC1	REAL250004662876	0	40	-1.0	-45.50	306.29	3.74	-41.76
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1CCC1	REAL250004662876	1	40	-1.0	-45.53	306.35	3.75	-41.78
O=C(NC1CCCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662877	0	36	-1.0	-35.08	299.57	3.57	-31.51
O=C(NC1CCCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662877	1	36	-1.0	-35.05	299.64	3.58	-31.47
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004662878	0	43	-1.0	-44.62	341.78	4.06	-40.56
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004662878	1	43	-1.0	-44.63	341.84	4.07	-40.56
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004662879	0	34	-1.0	-48.16	290.07	2.87	-45.29
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004662879	1	34	-1.0	-48.19	290.13	2.89	-45.30
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(F)F	REAL250004662880	0	34	-1.0	-36.89	300.67	2.66	-34.23
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(F)F	REAL250004662880	1	34	-1.0	-36.85	300.74	2.67	-34.18
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662881	0	39	-1.0	-47.45	325.16	2.45	-45.00
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662881	1	39	-1.0	-47.46	325.22	2.47	-44.99
CC1=CC=C([C@@H]2C[C@H]2NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662882	0	39	-1.0	-48.54	328.11	5.57	-42.97
CC1=CC=C([C@@H]2C[C@H]2NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662882	1	39	-1.0	-48.52	328.17	5.59	-42.93
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCOC1	REAL250004662884	0	43	-1.0	-49.77	329.47	-0.89	-50.66
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCOC1	REAL250004662884	1	43	-1.0	-49.81	329.53	-0.88	-50.69
CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662885	0	42	-1.0	-46.35	336.66	3.00	-43.35
CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662885	1	42	-1.0	-46.37	336.72	3.02	-43.35
CC(C)OC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004662886	0	33	-1.0	-47.90	289.05	0.15	-47.75
CC(C)OC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004662886	1	33	-1.0	-47.95	289.11	0.16	-47.79
CC1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCOCC2	REAL250004662888	0	43	-1.0	-47.60	328.87	3.94	-43.66
CC1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCOCC2	REAL250004662888	1	43	-1.0	-47.56	328.92	3.96	-43.60
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662889	0	42	-1.0	-46.79	322.69	2.16	-44.63
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662889	1	42	-1.0	-46.78	322.75	2.17	-44.61
O=C(CCCC1=N[N-]N=N1)NCCOCC1CCC1	REAL250004662890	0	39	-1.0	-46.91	322.86	2.63	-44.28
O=C(CCCC1=NN=N[N-]1)NCCOCC1CCC1	REAL250004662890	1	39	-1.0	-46.93	322.92	2.65	-44.28
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCCC1	REAL250004662891	0	45	-1.0	-45.47	340.64	6.26	-39.21
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCCC1	REAL250004662891	1	45	-1.0	-45.45	340.69	6.27	-39.18
C#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662892	0	34	-1.0	-36.24	291.50	4.90	-31.34
C#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662892	1	34	-1.0	-36.20	291.57	4.91	-31.29
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CN=C2)C1	REAL250004662893	0	38	-1.0	-50.29	314.82	4.49	-45.80
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CN=C2)C1	REAL250004662893	1	38	-1.0	-50.30	314.76	4.48	-45.82
C#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662894	0	37	-1.0	-47.96	303.33	5.40	-42.56
C#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662894	1	37	-1.0	-47.95	303.39	5.41	-42.54
C#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662895	0	37	-1.0	-37.58	311.68	5.60	-31.98
C#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662895	1	37	-1.0	-37.62	311.74	5.61	-32.01
CC(C)(C)OC(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662896	0	43	-1.0	-48.28	351.05	4.06	-44.22
CC(C)(C)OC(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662896	1	43	-1.0	-48.31	351.10	4.07	-44.24
CC1=CC=CC(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)=C1	REAL250004662897	0	42	-1.0	-48.58	338.16	6.09	-42.49
CC1=CC=CC(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)=C1	REAL250004662897	1	42	-1.0	-48.60	338.22	6.10	-42.50
CCO[C@@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1SC	REAL250004662898	0	40	-1.0	-52.37	344.54	3.05	-49.32
CCO[C@@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1SC	REAL250004662898	1	40	-1.0	-52.35	344.60	3.07	-49.28
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1CCCOC1	REAL250004662899	0	43	-1.0	-51.75	328.08	4.70	-47.05
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1CCCOC1	REAL250004662899	1	43	-1.0	-51.75	328.13	4.72	-47.03
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(CO)C=C1	REAL250004662900	0	36	-1.0	-48.37	311.89	0.81	-47.56
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(CO)C=C1	REAL250004662900	1	36	-1.0	-48.41	311.95	0.82	-47.59
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004662901	0	34	-1.0	-48.41	302.27	4.78	-43.63
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004662901	1	34	-1.0	-48.48	302.33	4.80	-43.68
CC1(CC(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662902	0	35	-1.0	-52.71	296.21	4.19	-48.52
CC1(CC(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662902	1	35	-1.0	-52.69	296.27	4.21	-48.48
CCN(OC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662903	0	36	-1.0	-46.51	308.88	0.78	-45.73
CCN(OC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662903	1	36	-1.0	-46.51	308.94	0.80	-45.71
CC(C)O[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662904	0	39	-1.0	-48.09	316.43	3.50	-44.59
CC(C)O[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662904	1	39	-1.0	-48.09	316.49	3.52	-44.57
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)C1	REAL250004662905	0	35	-1.0	-50.95	286.19	3.19	-47.76
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)C1	REAL250004662905	1	35	-1.0	-50.95	286.26	3.20	-47.75
O=C(NC1CCCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662906	0	35	-1.0	-37.56	296.79	2.99	-34.57
O=C(NC1CCCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662906	1	35	-1.0	-37.53	296.86	3.00	-34.53
O=C(CCCC1=N[N-]N=N1)NC1=NNC=C1C1CC1	REAL250004662907	0	33	-1.0	-53.72	285.30	3.12	-50.60
O=C(CCCC1=NN=N[N-]1)NC1=NNC=C1C1CC1	REAL250004662907	1	33	-1.0	-53.72	285.36	3.13	-50.59
O=C(NC1=NNC=C1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662908	0	33	-1.0	-40.82	295.87	2.91	-37.91
O=C(NC1=NNC=C1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662908	1	33	-1.0	-40.80	295.94	2.92	-37.88
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004662909	0	34	-1.0	-48.14	295.50	2.28	-45.86
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004662909	1	34	-1.0	-48.18	295.56	2.30	-45.88
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004662910	0	34	-1.0	-37.88	306.09	2.08	-35.80
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004662910	1	34	-1.0	-37.84	306.16	2.08	-35.76
CC1OCCC1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004662911	0	37	-1.0	-47.74	307.07	-0.08	-47.82
CC1OCCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004662911	1	37	-1.0	-47.76	307.13	-0.06	-47.82
CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004662912	0	34	-1.0	-58.52	297.37	0.73	-57.79
CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004662912	1	34	-1.0	-58.50	297.43	0.75	-57.75
CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004662913	0	34	-1.0	-44.60	307.96	0.53	-44.07
CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004662913	1	34	-1.0	-44.56	308.03	0.54	-44.02
CC(C)(C)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004662914	0	42	-1.0	-59.53	336.53	2.64	-56.89
CC(C)(C)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004662914	1	42	-1.0	-59.52	336.58	2.65	-56.87
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(F)C1	REAL250004662915	0	38	-1.0	-46.46	305.95	3.91	-42.55
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(F)C1	REAL250004662915	1	38	-1.0	-46.48	306.00	3.93	-42.55
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004662916	0	43	-1.0	-44.59	341.78	4.06	-40.53
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004662916	1	43	-1.0	-44.59	341.84	4.07	-40.52
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004662917	0	39	-1.0	-47.35	328.13	5.59	-41.76
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004662917	1	39	-1.0	-47.35	328.19	5.61	-41.74
O=C(CCCC1=N[N-]N=N1)NC[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004662918	0	39	-1.0	-47.36	328.13	5.59	-41.77
O=C(CCCC1=NN=N[N-]1)NC[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004662918	1	39	-1.0	-47.36	328.19	5.61	-41.75
CCC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004662919	0	43	-1.0	-50.34	351.40	4.41	-45.93
CCC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004662919	1	43	-1.0	-50.39	351.45	4.42	-45.97
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004662920	0	39	-1.0	-47.18	296.22	5.18	-42.00
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004662920	1	39	-1.0	-47.14	296.28	5.20	-41.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004662921	0	39	-1.0	-36.91	303.21	5.32	-31.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H]2CCCC[C@@H]21	REAL250004662921	1	39	-1.0	-36.87	303.27	5.34	-31.53
CN1C=NC(CCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662922	0	37	-1.0	-53.38	319.71	3.28	-50.10
CN1C=NC(CCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662922	1	37	-1.0	-53.36	319.77	3.30	-50.06
CC1=C(C(C)C)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662923	0	38	-1.0	-53.66	317.32	3.49	-50.17
CC1=C(C(C)C)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662923	1	38	-1.0	-53.69	317.37	3.51	-50.18
N#CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004662924	0	36	-1.0	-52.58	321.33	4.65	-47.93
N#CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004662924	1	36	-1.0	-52.55	321.38	4.67	-47.88
CO[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004662925	0	34	-1.0	-48.08	287.24	-0.96	-49.04
CO[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004662925	1	34	-1.0	-48.06	287.30	-0.95	-49.01
CO[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662926	0	34	-1.0	-36.22	297.57	-1.16	-37.38
CO[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662926	1	34	-1.0	-36.17	297.64	-1.16	-37.33
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2OCC[C@@H]2C1	REAL250004662927	0	37	-1.0	-47.18	288.43	2.62	-44.56
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2OCC[C@@H]2C1	REAL250004662927	1	37	-1.0	-47.17	288.49	2.64	-44.53
O=C(CCCC1=N[N-]N=N1)NC1(CC(F)(F)F)CC1	REAL250004662928	0	32	-1.0	-46.05	286.52	3.37	-42.68
O=C(CCCC1=NN=N[N-]1)NC1(CC(F)(F)F)CC1	REAL250004662928	1	32	-1.0	-46.03	286.58	3.38	-42.65
CC(=O)NCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662929	0	35	-1.0	-55.16	298.08	0.93	-54.23
CC(=O)NCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662929	1	35	-1.0	-55.19	298.13	0.95	-54.24
CC(=O)NCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662930	0	35	-1.0	-43.68	305.74	1.34	-42.34
CC(=O)NCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662930	1	35	-1.0	-43.66	305.82	1.37	-42.29
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C	REAL250004662931	0	38	-1.0	-51.00	316.48	4.05	-46.95
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C	REAL250004662931	1	38	-1.0	-51.02	316.54	4.07	-46.95
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)NC(=O)N1	REAL250004662932	0	32	-1.0	-51.00	288.29	-2.45	-53.45
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)NC(=O)N1	REAL250004662932	1	32	-1.0	-50.98	288.35	-2.44	-53.42
O=C(CCCC1=N[N-]N=N1)N1CCSCC1C1CCC1	REAL250004662934	0	40	-1.0	-44.76	308.89	5.78	-38.98
O=C(CCCC1=NN=N[N-]1)N1CCSCC1C1CCC1	REAL250004662934	1	40	-1.0	-44.76	308.95	5.80	-38.96
CCN1N=NC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662936	0	37	-1.0	-47.79	316.36	1.24	-46.55
CCN1N=NC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662936	1	37	-1.0	-47.80	316.41	1.25	-46.55
CN1N=CN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662938	0	37	-1.0	-51.68	317.36	3.21	-48.47
CN1N=CN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662938	1	37	-1.0	-51.70	317.42	3.23	-48.47
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004662939	0	34	-1.0	-46.90	312.46	2.74	-44.16
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004662939	1	34	-1.0	-46.87	312.51	2.76	-44.11
CCON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004662940	0	35	-1.0	-35.96	295.16	4.31	-31.65
CCON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004662940	1	35	-1.0	-35.97	295.23	4.32	-31.65
O=C(CCCC1=N[N-]N=N1)N1CC2=CC(F)=C(F)C=C2C1	REAL250004662941	0	33	-1.0	-47.43	294.61	5.13	-42.30
O=C(CCCC1=NN=N[N-]1)N1CC2=CC(F)=C(F)C=C2C1	REAL250004662941	1	33	-1.0	-47.42	294.66	5.15	-42.27
COC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004662942	0	37	-1.0	-49.01	311.41	4.31	-44.70
COC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004662942	1	37	-1.0	-49.04	311.46	4.33	-44.71
N#CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004662943	0	34	-1.0	-50.34	302.76	5.41	-44.93
N#CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004662943	1	34	-1.0	-50.35	302.82	5.42	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1CN(C2CC2)C(=O)O1	REAL250004662944	0	38	-1.0	-55.04	321.29	1.79	-53.25
O=C(CCCC1=NN=N[N-]1)NCC1CN(C2CC2)C(=O)O1	REAL250004662944	1	38	-1.0	-55.03	321.35	1.81	-53.22
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CO)C=C1	REAL250004662945	0	33	-1.0	-50.24	286.08	0.68	-49.56
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CO)C=C1	REAL250004662945	1	33	-1.0	-50.26	286.13	0.69	-49.57
O=C(NC1=CC=C(CO)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662946	0	33	-1.0	-38.15	296.75	0.48	-37.67
O=C(NC1=CC=C(CO)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662946	1	33	-1.0	-37.96	296.39	0.47	-37.49
O=C(NC1(C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662947	0	33	-1.0	-35.16	281.31	3.36	-31.80
O=C(NC1(C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662947	1	33	-1.0	-35.17	281.38	3.37	-31.80
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004662948	0	35	-1.0	-34.98	287.14	2.83	-32.15
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004662948	1	35	-1.0	-34.94	287.21	2.83	-32.11
CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004662949	0	43	-1.0	-51.88	348.17	4.01	-47.87
CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004662949	1	43	-1.0	-51.89	348.23	4.03	-47.86
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NC=N1	REAL250004662950	0	34	-1.0	-51.27	297.89	3.68	-47.59
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NC=N1	REAL250004662950	1	34	-1.0	-51.28	297.84	3.66	-47.62
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662951	0	34	-1.0	-41.91	308.50	3.47	-38.44
O=C(NCCCN1C=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662951	1	34	-1.0	-41.89	308.43	3.47	-38.42
O=C(CCCC1=N[N-]N=N1)NC1(CC2=CC=CC=C2)CCC1	REAL250004662952	0	42	-1.0	-47.65	340.75	6.30	-41.35
O=C(CCCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2)CCC1	REAL250004662952	1	42	-1.0	-47.64	340.81	6.31	-41.33
CON(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662953	0	34	-1.0	-35.96	299.00	-0.60	-36.56
CON(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662953	1	34	-1.0	-35.91	299.07	-0.59	-36.50
C#CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004662955	0	34	-1.0	-36.33	291.50	4.90	-31.43
C#CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004662955	1	34	-1.0	-36.27	291.57	4.90	-31.37
CN1N=NC2=C1CCC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004662956	0	38	-1.0	-58.63	316.03	1.66	-56.97
CN1N=NC2=C1CCC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004662956	1	38	-1.0	-58.61	316.08	1.68	-56.93
COCC(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662957	0	44	-1.0	-45.95	341.59	2.80	-43.15
COCC(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662957	1	44	-1.0	-46.01	341.65	2.82	-43.19
CC(CC1=CC=CC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662958	0	37	-1.0	-52.27	314.85	3.35	-48.92
CC(CC1=CC=CC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662958	1	37	-1.0	-52.29	314.91	3.36	-48.93
CC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004662959	0	37	-1.0	-48.79	311.76	4.51	-44.28
CC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004662959	1	37	-1.0	-48.77	311.82	4.53	-44.24
COC(=O)C(CC(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004662960	0	43	-1.0	-48.09	346.54	5.76	-42.33
COC(=O)C(CC(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004662960	1	43	-1.0	-48.03	346.60	5.78	-42.25
COC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662961	0	35	-1.0	-46.85	303.40	2.86	-43.99
COC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662961	1	35	-1.0	-46.89	303.46	2.87	-44.02
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662962	0	40	-1.0	-47.12	315.81	3.76	-43.36
CC1=NOC(C)=C1C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662962	1	40	-1.0	-47.16	315.87	3.77	-43.39
O=C(CCCC1=N[N-]N=N1)NC1CCCN(CCF)C1	REAL250004662963	0	40	-1.0	-48.40	318.94	1.26	-47.14
O=C(CCCC1=NN=N[N-]1)NC1CCCN(CCF)C1	REAL250004662963	1	40	-1.0	-48.44	318.99	1.28	-47.16
CC1=NOC(C(C)N(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662964	0	36	-1.0	-48.88	303.16	1.57	-47.31
CC1=NOC(C(C)N(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662964	1	36	-1.0	-48.94	303.21	1.59	-47.35
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004662965	0	33	-1.0	-47.34	287.75	0.86	-46.48
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004662965	1	33	-1.0	-47.35	287.81	0.87	-46.48
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CC=N1	REAL250004662966	0	33	-1.0	-38.20	298.35	0.65	-37.55
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004662966	1	33	-1.0	-38.17	298.42	0.66	-37.51
CON(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662967	0	37	-1.0	-48.65	309.91	0.39	-48.26
CON(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662967	1	37	-1.0	-48.68	309.97	0.40	-48.28
CON(C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662968	0	37	-1.0	-36.73	320.50	0.18	-36.55
CON(C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662968	1	37	-1.0	-36.70	320.57	0.20	-36.50
CN1C(=O)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662969	0	32	-1.0	-48.88	283.70	-0.16	-49.04
CN1C(=O)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662969	1	32	-1.0	-48.89	283.75	-0.14	-49.03
O=C(CCCC1=N[N-]N=N1)NCC1CCC2=CC=CN=C21	REAL250004662970	0	38	-1.0	-49.29	317.17	3.78	-45.51
O=C(CCCC1=NN=N[N-]1)NCC1CCC2=CC=CN=C21	REAL250004662970	1	38	-1.0	-49.27	317.22	3.79	-45.48
O=C(CCCC1=NN=N[N-]1)NCCN1C=CN=N1	REAL250004662971	0	31	-1.0	-57.94	275.44	0.24	-57.70
O=C(CCCC1=N[N-]N=N1)NCCN1C=CN=N1	REAL250004662971	1	31	-1.0	-57.89	275.38	0.22	-57.67
O=C(NCCN1C=CN=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662972	0	31	-1.0	-43.35	286.06	0.03	-43.32
O=C(NCCN1C=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662972	1	31	-1.0	-43.34	285.99	0.02	-43.32
O=C(CCCC1=N[N-]N=N1)NOC1=CC=C(F)C=C1	REAL250004662973	0	30	-1.0	-49.33	276.98	4.36	-44.97
O=C(CCCC1=NN=N[N-]1)NOC1=CC=C(F)C=C1	REAL250004662973	1	30	-1.0	-49.34	277.04	4.37	-44.97
C[C@@H](ONC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004662974	0	36	-1.0	-52.12	312.38	5.30	-46.82
C[C@@H](ONC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004662974	1	36	-1.0	-52.13	312.44	5.30	-46.83
O=C(NCCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662975	0	35	-1.0	-34.95	304.38	3.36	-31.59
O=C(NCCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662975	1	35	-1.0	-34.92	304.45	3.38	-31.54
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004662978	0	35	-1.0	-48.13	291.23	3.57	-44.56
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004662978	1	35	-1.0	-48.14	291.17	3.56	-44.58
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=C1	REAL250004662979	0	35	-1.0	-37.24	297.25	4.29	-32.95
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=C1	REAL250004662979	1	35	-1.0	-37.24	297.18	4.27	-32.97
C=CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662980	0	38	-1.0	-46.59	317.98	4.13	-42.46
C=CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662980	1	38	-1.0	-46.59	318.04	4.14	-42.45
C=CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662981	0	38	-1.0	-35.04	328.57	3.92	-31.12
C=CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662981	1	38	-1.0	-35.06	328.64	3.93	-31.13
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004662982	0	40	-1.0	-50.65	333.19	3.55	-47.10
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004662982	1	40	-1.0	-50.70	333.25	3.56	-47.14
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004662983	0	35	-1.0	-52.48	295.52	2.49	-49.99
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004662983	1	35	-1.0	-52.47	295.46	2.48	-49.99
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004662984	0	35	-1.0	-38.86	306.11	2.29	-36.57
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004662984	1	35	-1.0	-38.91	306.04	2.28	-36.63
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)S1	REAL250004662985	0	31	-1.0	-56.48	287.83	3.09	-53.39
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(C2CC2)S1	REAL250004662985	1	31	-1.0	-56.48	287.83	3.09	-53.39
COC1=C(C)C=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004662986	0	39	-1.0	-47.12	329.03	3.59	-43.53
COC1=C(C)C=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004662986	1	39	-1.0	-47.13	329.08	3.60	-43.53
CC(C)(C)N1N=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662987	0	39	-1.0	-48.60	332.44	1.25	-47.35
CC(C)(C)N1N=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662987	1	39	-1.0	-48.63	332.50	1.26	-47.37
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004662988	0	42	-1.0	-47.56	326.30	3.26	-44.30
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004662988	1	42	-1.0	-47.55	326.36	3.27	-44.28
O=C(CCCC1=N[N-]N=N1)NC1=NC=C2NC=CC2=C1	REAL250004662989	0	32	-1.0	-55.27	280.70	3.09	-52.18
O=C(CCCC1=NN=N[N-]1)NC1=NC=C2NC=CC2=C1	REAL250004662989	1	32	-1.0	-55.30	280.75	3.11	-52.19
O=C(CCCC1=N[N-]N=N1)N1CC2(CC2(F)F)C1	REAL250004662990	0	30	-1.0	-51.54	272.83	3.71	-47.83
O=C(CCCC1=NN=N[N-]1)N1CC2(CC2(F)F)C1	REAL250004662990	1	30	-1.0	-51.52	272.88	3.72	-47.80
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2(F)F)C1	REAL250004662991	0	30	-1.0	-36.45	280.81	3.59	-32.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2(F)F)C1	REAL250004662991	1	30	-1.0	-36.48	280.88	3.60	-32.88
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662992	0	36	-1.0	-48.39	305.05	1.66	-46.73
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662992	1	36	-1.0	-48.42	305.11	1.67	-46.75
COCC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662993	0	36	-1.0	-36.47	314.89	1.51	-34.96
COCC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662993	1	36	-1.0	-36.43	314.96	1.52	-34.91
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004662994	0	38	-1.0	-49.36	314.85	5.01	-44.35
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004662994	1	38	-1.0	-49.38	314.91	5.02	-44.36
COC(C)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004662996	0	36	-1.0	-50.43	293.98	-2.25	-52.68
COC(C)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004662996	1	36	-1.0	-50.43	294.04	-2.23	-52.66
COC(C)(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662997	0	36	-1.0	-39.33	304.57	-2.46	-41.79
COC(C)(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662997	1	36	-1.0	-39.29	304.64	-2.44	-41.73
O=C(CCCC1=N[N-]N=N1)NC1CC(C2CCCCC2)C1	REAL250004662999	0	45	-1.0	-46.20	349.29	5.78	-40.42
O=C(CCCC1=NN=N[N-]1)NC1CC(C2CCCCC2)C1	REAL250004662999	1	45	-1.0	-46.21	349.35	5.80	-40.41
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663000	0	42	-1.0	-50.29	336.50	3.01	-47.28
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663000	1	42	-1.0	-50.30	336.55	3.02	-47.28
CC1=NOC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663001	0	33	-1.0	-50.85	288.48	1.21	-49.64
CC1=NOC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663001	1	33	-1.0	-50.92	288.54	1.23	-49.69
O=C(CCCC1=N[N-]N=N1)N1CCCC1CC1CCCC1	REAL250004663002	0	45	-1.0	-48.64	338.44	6.61	-42.03
O=C(CCCC1=NN=N[N-]1)N1CCCC1CC1CCCC1	REAL250004663002	1	45	-1.0	-48.66	338.50	6.62	-42.04
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCCCO1	REAL250004663003	0	43	-1.0	-47.72	338.17	4.03	-43.69
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCCCO1	REAL250004663003	1	43	-1.0	-47.72	338.23	4.05	-43.67
O=C(CCCC1=N[N-]N=N1)N1CCCC(OC2CCC2)C1	REAL250004663004	0	43	-1.0	-48.20	338.81	5.00	-43.20
O=C(CCCC1=NN=N[N-]1)N1CCCC(OC2CCC2)C1	REAL250004663004	1	43	-1.0	-48.24	338.86	5.01	-43.23
COC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663006	0	40	-1.0	-47.96	311.65	0.31	-47.65
COC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663006	1	40	-1.0	-47.96	311.71	0.32	-47.64
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004663007	0	37	-1.0	-52.35	312.17	1.32	-51.03
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@@H]1O	REAL250004663007	1	37	-1.0	-52.38	312.23	1.34	-51.04
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=NN1C	REAL250004663008	0	34	-1.0	-49.02	293.14	0.63	-48.39
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=NN1C	REAL250004663008	1	34	-1.0	-49.05	293.20	0.64	-48.41
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=NN1C	REAL250004663009	0	34	-1.0	-39.76	303.74	0.42	-39.34
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=NN1C	REAL250004663009	1	34	-1.0	-39.75	303.80	0.43	-39.32
CC(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004663010	0	36	-1.0	-47.45	293.50	1.56	-45.89
CC(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004663010	1	36	-1.0	-47.50	293.56	1.58	-45.92
CC(O)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004663011	0	36	-1.0	-36.88	292.91	2.97	-33.91
CC(O)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004663011	1	36	-1.0	-36.86	292.97	2.97	-33.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H](O)C1	REAL250004663013	0	33	-1.0	-35.37	275.65	0.52	-34.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H](O)C1	REAL250004663013	1	33	-1.0	-35.37	275.72	0.53	-34.84
CC(C)(C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663014	0	43	-1.0	-45.56	311.73	4.83	-40.73
CC(C)(C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663014	1	43	-1.0	-45.55	311.78	4.84	-40.71
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004663015	0	38	-1.0	-45.73	305.37	4.76	-40.97
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004663015	1	38	-1.0	-45.77	305.43	4.78	-40.99
COC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663016	0	34	-1.0	-45.31	285.88	1.89	-43.42
COC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663016	1	34	-1.0	-45.31	285.94	1.91	-43.40
COC(=O)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663017	0	34	-1.0	-35.28	296.46	1.67	-33.61
COC(=O)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663017	1	34	-1.0	-35.29	296.53	1.69	-33.60
COCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663018	0	35	-1.0	-35.15	295.18	0.76	-34.39
COCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663018	1	35	-1.0	-35.11	295.25	0.77	-34.34
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004663019	0	44	-1.0	-45.39	323.81	4.75	-40.64
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004663019	1	44	-1.0	-45.42	323.87	4.76	-40.66
CC(C)(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004663020	0	44	-1.0	-46.70	335.27	1.76	-44.94
CC(C)(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004663020	1	44	-1.0	-46.73	335.33	1.78	-44.95
O=C(CCCC1=N[N-]N=N1)N1CC(N2CCOCC2)C1	REAL250004663021	0	39	-1.0	-48.03	316.67	0.47	-47.56
O=C(CCCC1=NN=N[N-]1)N1CC(N2CCOCC2)C1	REAL250004663021	1	39	-1.0	-48.03	316.72	0.48	-47.55
CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=NC1=O	REAL250004663022	0	31	-1.0	-72.21	273.80	1.78	-70.43
CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=NC1=O	REAL250004663022	1	31	-1.0	-72.23	273.86	1.79	-70.44
CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NC1=O	REAL250004663023	0	31	-1.0	-53.87	284.36	1.58	-52.29
CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC1=O	REAL250004663023	1	31	-1.0	-53.81	284.43	1.58	-52.23
CC(C)(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663024	0	35	-1.0	-36.99	289.23	-1.27	-38.26
CC(C)(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663024	1	35	-1.0	-37.02	289.29	-1.26	-38.28
CCOCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663025	0	38	-1.0	-47.08	306.45	1.93	-45.15
CCOCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663025	1	38	-1.0	-47.03	306.51	1.95	-45.08
CCOCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663026	0	38	-1.0	-35.05	317.03	1.72	-33.33
CCOCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663026	1	38	-1.0	-35.08	317.10	1.73	-33.35
CC1=NOC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663027	0	28	-1.0	-34.40	260.15	1.19	-33.21
CC1=NOC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663027	1	28	-1.0	-34.42	260.21	1.21	-33.21
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004663028	0	38	-1.0	-45.69	311.78	4.83	-40.86
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004663028	1	38	-1.0	-45.74	311.84	4.84	-40.90
CC1=CC=CC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663029	0	41	-1.0	-45.75	326.77	5.44	-40.31
CC1=CC=CC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663029	1	41	-1.0	-45.79	326.83	5.45	-40.34
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004663030	0	36	-1.0	-52.69	309.56	4.05	-48.64
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004663030	1	36	-1.0	-52.71	309.62	4.07	-48.64
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004663031	0	38	-1.0	-46.65	309.73	4.66	-41.99
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004663031	1	38	-1.0	-46.65	309.78	4.67	-41.98
CC1=CC=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004663032	0	40	-1.0	-46.78	321.98	3.57	-43.21
CC1=CC=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004663032	1	40	-1.0	-46.77	322.04	3.58	-43.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2CC21	REAL250004663033	0	33	-1.0	-35.16	273.92	4.51	-30.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2CC21	REAL250004663033	1	33	-1.0	-35.14	273.98	4.52	-30.62
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2(F)F)C1	REAL250004663034	0	33	-1.0	-48.52	288.26	4.36	-44.16
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2(F)F)C1	REAL250004663034	1	33	-1.0	-48.57	288.32	4.38	-44.19
O=C(CCCC1=N[N-]N=N1)NCC1CS(=O)(=O)C1	REAL250004663035	0	32	-1.0	-54.05	286.33	-1.58	-55.63
O=C(CCCC1=NN=N[N-]1)NCC1CS(=O)(=O)C1	REAL250004663035	1	32	-1.0	-54.07	286.38	-1.56	-55.63
O=C(CCCC1=N[N-]N=N1)NCC1=CN(C2CCC2)N=N1	REAL250004663036	0	38	-1.0	-50.69	321.27	1.94	-48.75
O=C(CCCC1=NN=N[N-]1)NCC1=CN(C2CCC2)N=N1	REAL250004663036	1	38	-1.0	-50.70	321.33	1.95	-48.75
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CN=CC=N1	REAL250004663037	0	33	-1.0	-47.35	287.75	0.86	-46.49
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CN=CC=N1	REAL250004663037	1	33	-1.0	-47.36	287.81	0.87	-46.49
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CC=N1	REAL250004663038	0	33	-1.0	-38.20	298.34	0.64	-37.56
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CC=N1	REAL250004663038	1	33	-1.0	-38.18	298.41	0.66	-37.52
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C)=CN1	REAL250004663039	0	38	-1.0	-49.63	312.13	2.39	-47.24
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C)=CN1	REAL250004663039	1	38	-1.0	-49.61	312.19	2.40	-47.21
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004663040	0	38	-1.0	-45.21	293.92	4.14	-41.07
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004663040	1	38	-1.0	-45.26	293.98	4.16	-41.10
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL250004663041	0	38	-1.0	-35.00	305.12	3.95	-31.05
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL250004663041	1	38	-1.0	-35.00	305.19	3.97	-31.03
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=NNN=C1	REAL250004663042	0	34	-1.0	-45.83	284.83	-0.11	-45.94
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=NNN=C1	REAL250004663042	1	34	-1.0	-45.82	284.89	-0.09	-45.91
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNN=C1	REAL250004663043	0	34	-1.0	-38.03	295.41	-0.30	-38.33
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNN=C1	REAL250004663043	1	34	-1.0	-38.03	295.48	-0.30	-38.33
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CN2)C1	REAL250004663045	0	36	-1.0	-53.50	300.92	3.13	-50.37
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CN2)C1	REAL250004663045	1	36	-1.0	-53.56	300.98	3.15	-50.41
O=C(CCCC1=N[N-]N=N1)N1CCC=C(Cl)C1	REAL250004663046	0	30	-1.0	-45.17	265.68	4.03	-41.14
O=C(CCCC1=NN=N[N-]1)N1CCC=C(Cl)C1	REAL250004663046	1	30	-1.0	-45.17	265.74	4.04	-41.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC=C(Cl)C1	REAL250004663047	0	30	-1.0	-35.18	273.10	4.31	-30.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC=C(Cl)C1	REAL250004663047	1	30	-1.0	-35.17	273.16	4.33	-30.84
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC(=O)NN2)C1	REAL250004663049	0	37	-1.0	-56.66	313.25	0.96	-55.70
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC(=O)NN2)C1	REAL250004663049	1	37	-1.0	-56.70	313.30	0.97	-55.73
O=C(CCCC1=N[N-]N=N1)NCC1=CC(=O)NC(=S)N1	REAL250004663050	0	32	-1.0	-52.25	300.03	0.23	-52.02
O=C(CCCC1=NN=N[N-]1)NCC1=CC(=O)NC(=S)N1	REAL250004663050	1	32	-1.0	-52.23	300.09	0.24	-51.99
CC1=CC(=O)NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663051	0	34	-1.0	-49.73	298.31	0.56	-49.17
CC1=CC(=O)NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663051	1	34	-1.0	-49.73	298.37	0.57	-49.16
N#CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004663052	0	34	-1.0	-54.14	302.42	5.36	-48.78
N#CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004663052	1	34	-1.0	-54.16	302.48	5.38	-48.78
COCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663053	0	35	-1.0	-53.27	304.42	2.78	-50.49
COCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663053	1	35	-1.0	-53.29	304.48	2.79	-50.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1CC2	REAL250004663054	0	45	-1.0	-46.95	336.55	5.44	-41.51
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1CC2	REAL250004663054	1	45	-1.0	-46.94	336.61	5.45	-41.49
O=C(CCCC1=N[N-]N=N1)N1CC2CCOCC2C1	REAL250004663055	0	37	-1.0	-47.97	295.25	2.77	-45.20
O=C(CCCC1=NN=N[N-]1)N1CC2CCOCC2C1	REAL250004663055	1	37	-1.0	-48.02	295.31	2.78	-45.24
CSC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004663056	0	36	-1.0	-47.79	311.69	4.97	-42.82
CSC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004663056	1	36	-1.0	-47.78	311.74	4.98	-42.80
C=CC(C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663057	0	30	-1.0	-36.26	276.89	2.66	-33.60
C=CC(C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663057	1	30	-1.0	-36.23	276.95	2.66	-33.57
O=C(CCCC1=NN=N[N-]1)NCCNC1=NC=CC=N1	REAL250004663058	0	35	-1.0	-50.80	305.92	2.18	-48.62
O=C(CCCC1=N[N-]N=N1)NCCNC1=NC=CC=N1	REAL250004663058	1	35	-1.0	-50.76	305.86	2.16	-48.60
NC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004663059	0	30	-1.0	-51.06	279.13	1.50	-49.56
NC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004663059	1	30	-1.0	-51.05	279.07	1.48	-49.57
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCOC1	REAL250004663060	0	40	-1.0	-49.40	318.88	-0.78	-50.18
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCOC1	REAL250004663060	1	40	-1.0	-49.42	318.93	-0.76	-50.18
CC(CCO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663061	0	35	-1.0	-36.47	293.10	1.22	-35.25
CC(CCO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663061	1	35	-1.0	-36.46	293.17	1.25	-35.21
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C2(F)F	REAL250004663062	0	30	-1.0	-46.96	263.77	3.71	-43.25
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C2(F)F	REAL250004663062	1	30	-1.0	-46.95	263.83	3.72	-43.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C(C1)C2(F)F	REAL250004663063	0	30	-1.0	-35.19	270.90	3.94	-31.25
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C(C1)C2(F)F	REAL250004663063	1	30	-1.0	-35.11	270.97	3.96	-31.15
O=C(NC1CC2(CCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663064	0	36	-1.0	-35.00	305.52	3.54	-31.46
O=C(NC1CC2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663064	1	36	-1.0	-34.97	305.59	3.54	-31.43
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NNC=N2)CC1	REAL250004663065	0	37	-1.0	-52.77	305.42	3.79	-48.98
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NNC=N2)CC1	REAL250004663065	1	37	-1.0	-52.84	305.47	3.81	-49.03
O=C(CCCC1=NN=N[N-]1)NCCCOC1=NC=CC=N1	REAL250004663066	0	37	-1.0	-52.86	322.82	-0.72	-53.58
O=C(CCCC1=N[N-]N=N1)NCCCOC1=NC=CC=N1	REAL250004663066	1	37	-1.0	-52.83	322.77	-0.73	-53.56
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NNC(=O)N1C	REAL250004663067	0	35	-1.0	-49.79	297.68	0.17	-49.62
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NNC(=O)N1C	REAL250004663067	1	35	-1.0	-49.81	297.74	0.19	-49.62
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)N1C1CC1	REAL250004663068	0	36	-1.0	-48.32	310.82	1.43	-46.89
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)N1C1CC1	REAL250004663068	1	36	-1.0	-48.36	310.88	1.45	-46.91
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCCO1	REAL250004663069	0	37	-1.0	-49.50	305.25	2.46	-47.04
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCCO1	REAL250004663069	1	37	-1.0	-49.51	305.31	2.48	-47.03
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004663071	1	46	-1.0	-46.91	331.86	3.39	-43.52
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004663071	1	46	-1.0	-46.97	331.92	3.41	-43.56
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004663071	1	46	-1.0	-46.91	331.86	3.39	-43.52
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C(C)(C)C	REAL250004663071	1	46	-1.0	-46.97	331.92	3.41	-43.56
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCCC2=C1	REAL250004663072	0	39	-1.0	-49.68	323.68	2.79	-46.89
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCCC2=C1	REAL250004663072	1	39	-1.0	-49.74	323.74	2.80	-46.94
C=C(C)CONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663073	0	30	-1.0	-36.61	275.45	2.61	-34.00
C=C(C)CONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663073	1	30	-1.0	-36.60	275.52	2.63	-33.97
O=C(NC(CO)CCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663074	0	32	-1.0	-37.05	287.82	-1.08	-38.13
O=C(NC(CO)CCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663074	1	32	-1.0	-37.04	287.89	-1.06	-38.10
CCC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663075	0	38	-1.0	-46.01	321.97	4.91	-41.10
CCC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663075	1	38	-1.0	-46.06	322.03	4.93	-41.13
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1CS2=O	REAL250004663076	0	32	-1.0	-54.69	276.72	1.30	-53.39
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1CS2=O	REAL250004663076	1	32	-1.0	-54.69	276.78	1.32	-53.37
CC1(C)C2CC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004663077	0	42	-1.0	-47.13	307.17	5.41	-41.72
CC1(C)C2CC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004663077	1	42	-1.0	-47.16	307.22	5.43	-41.73
O=C(CCCC1=N[N-]N=N1)NCCC1(CO)CCC1	REAL250004663078	0	39	-1.0	-47.48	315.27	0.32	-47.16
O=C(CCCC1=NN=N[N-]1)NCCC1(CO)CCC1	REAL250004663078	1	39	-1.0	-47.48	315.32	0.34	-47.14
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2(F)F)C1	REAL250004663079	0	36	-1.0	-48.00	300.64	5.04	-42.96
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2(F)F)C1	REAL250004663079	1	36	-1.0	-48.00	300.70	5.05	-42.95
COC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663080	0	35	-1.0	-54.67	294.74	4.26	-50.41
COC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663080	1	35	-1.0	-54.65	294.80	4.28	-50.37
CN1C=C(O)C(=O)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663081	0	36	-1.0	-54.73	309.08	0.95	-53.78
CN1C=C(O)C(=O)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663081	1	36	-1.0	-54.72	309.14	0.97	-53.75
O=C(CCCC1=N[N-]N=N1)NCC=C(Cl)Cl	REAL250004663083	0	26	-1.0	-46.24	262.52	2.12	-44.12
O=C(CCCC1=NN=N[N-]1)NCC=C(Cl)Cl	REAL250004663083	1	26	-1.0	-46.22	262.57	2.14	-44.08
O=C(NCC=C(Cl)Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663084	0	26	-1.0	-34.77	273.11	1.91	-32.86
O=C(NCC=C(Cl)Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663084	1	26	-1.0	-34.76	273.18	1.92	-32.84
COCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663085	0	33	-1.0	-38.23	289.45	1.66	-36.57
COCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663085	1	33	-1.0	-38.21	289.52	1.68	-36.53
O=C(CCCC1=N[N-]N=N1)N[C@H]1C2=CC=CC=C2C[C@H]1F	REAL250004663086	0	36	-1.0	-48.17	307.49	4.98	-43.19
O=C(CCCC1=NN=N[N-]1)N[C@H]1C2=CC=CC=C2C[C@H]1F	REAL250004663086	1	36	-1.0	-48.20	307.54	4.99	-43.21
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC=C1O	REAL250004663087	0	33	-1.0	-46.72	305.76	1.18	-45.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC=C1O	REAL250004663087	1	33	-1.0	-46.76	305.82	1.19	-45.57
CC1=CC=C2CCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004663088	0	39	-1.0	-46.43	323.86	5.39	-41.04
CC1=CC=C2CCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004663088	1	39	-1.0	-46.41	323.91	5.41	-41.00
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004663089	0	36	-1.0	-47.74	302.24	3.34	-44.40
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004663089	1	36	-1.0	-47.72	302.30	3.35	-44.37
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCOCC1	REAL250004663090	0	43	-1.0	-46.42	330.54	4.35	-42.07
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCOCC1	REAL250004663090	1	43	-1.0	-46.38	330.59	4.36	-42.02
COC(=O)C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663091	0	34	-1.0	-49.30	311.60	-1.19	-50.49
COC(=O)C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663091	1	34	-1.0	-49.30	311.66	-1.18	-50.48
CC(C)C1N(C(=O)CCCC2=N[N-]N=N2)CC12CC=CC2	REAL250004663092	0	43	-1.0	-48.07	336.94	6.35	-41.72
CC(C)C1N(C(=O)CCCC2=NN=N[N-]2)CC12CC=CC2	REAL250004663092	1	43	-1.0	-48.11	337.00	6.36	-41.75
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)CC1	REAL250004663093	0	38	-1.0	-46.80	307.53	3.97	-42.83
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)CC1	REAL250004663093	1	38	-1.0	-46.83	307.59	3.98	-42.85
CC1=CC=CC=C1C1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004663094	0	42	-1.0	-48.86	333.95	6.01	-42.85
CC1=CC=CC=C1C1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004663094	1	42	-1.0	-48.84	334.00	6.02	-42.82
CS[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663095	0	39	-1.0	-48.31	322.30	4.36	-43.95
CS[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663095	1	39	-1.0	-48.29	322.36	4.37	-43.92
COC(=O)C(CCF)NC(=O)CCCC1=N[N-]N=N1	REAL250004663096	0	34	-1.0	-44.93	293.46	2.16	-42.77
COC(=O)C(CCF)NC(=O)CCCC1=NN=N[N-]1	REAL250004663096	1	34	-1.0	-44.94	293.52	2.18	-42.76
CCC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004663097	0	39	-1.0	-46.44	309.04	3.56	-42.88
CCC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004663097	1	39	-1.0	-46.45	309.10	3.58	-42.87
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCCCC2=C1	REAL250004663098	0	42	-1.0	-49.07	330.87	6.34	-42.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCCCC2=C1	REAL250004663098	1	42	-1.0	-49.05	330.93	6.36	-42.69
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CO1	REAL250004663099	0	33	-1.0	-35.53	285.62	0.58	-34.95
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CO1	REAL250004663099	1	33	-1.0	-35.51	285.69	0.58	-34.93
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004663100	0	38	-1.0	-50.32	323.98	5.70	-44.62
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004663100	1	38	-1.0	-50.34	324.04	5.71	-44.63
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004663101	0	34	-1.0	-46.02	277.54	1.15	-44.87
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1O2	REAL250004663101	1	34	-1.0	-46.09	277.59	1.16	-44.93
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663102	0	34	-1.0	-36.41	288.19	0.93	-35.48
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663102	1	34	-1.0	-36.37	288.26	0.95	-35.42
COC[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663103	0	37	-1.0	-49.85	303.82	-0.62	-50.47
COC[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663103	1	37	-1.0	-49.85	303.87	-0.60	-50.45
CN(C)C1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663104	0	37	-1.0	-51.13	311.90	3.85	-47.28
CN(C)C1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663104	1	37	-1.0	-51.13	311.96	3.87	-47.26
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004663105	0	39	-1.0	-48.63	324.87	3.40	-45.23
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004663105	1	39	-1.0	-48.62	324.93	3.41	-45.21
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCC2)O1	REAL250004663106	0	40	-1.0	-46.21	314.97	3.84	-42.37
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCC2)O1	REAL250004663106	1	40	-1.0	-46.22	315.02	3.85	-42.37
CCCC(C)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663107	0	41	-1.0	-45.88	326.53	1.00	-44.88
CCCC(C)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663107	1	41	-1.0	-45.94	326.58	1.02	-44.92
NC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663108	0	33	-1.0	-49.73	283.10	-1.44	-51.17
NC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663108	1	33	-1.0	-49.74	283.16	-1.43	-51.17
NC(=O)[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663109	0	33	-1.0	-41.12	293.67	-1.64	-42.76
NC(=O)[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663109	1	33	-1.0	-41.09	293.74	-1.64	-42.73
CSC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663110	0	32	-1.0	-52.14	287.20	4.16	-47.98
CSC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663110	1	32	-1.0	-52.12	287.14	4.14	-47.98
CC1C(=O)N(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663111	0	33	-1.0	-49.75	280.90	2.30	-47.45
CC1C(=O)N(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663111	1	33	-1.0	-49.76	280.96	2.32	-47.44
CC1C(=O)N(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663112	0	33	-1.0	-35.57	287.98	2.27	-33.30
CC1C(=O)N(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663112	1	33	-1.0	-35.58	288.05	2.28	-33.30
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCOC1	REAL250004663114	0	37	-1.0	-50.46	305.16	-2.01	-52.47
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCOC1	REAL250004663114	1	37	-1.0	-50.45	305.21	-2.00	-52.45
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004663117	0	31	-1.0	-52.31	275.89	-0.03	-52.34
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004663117	1	31	-1.0	-52.29	275.95	-0.01	-52.30
CN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004663118	0	31	-1.0	-42.65	286.49	-0.25	-42.90
CN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004663118	1	31	-1.0	-42.60	286.55	-0.23	-42.83
CCON(C)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663119	0	36	-1.0	-46.21	310.21	0.88	-45.33
CCON(C)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663119	1	36	-1.0	-46.23	310.27	0.89	-45.34
O=C(NC1(CF)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663120	0	32	-1.0	-37.22	279.81	2.41	-34.81
O=C(NC1(CF)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663120	1	32	-1.0	-37.19	279.87	2.41	-34.78
CC1=CC=C(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)C=C1	REAL250004663121	0	42	-1.0	-48.61	338.11	6.10	-42.51
CC1=CC=C(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)C=C1	REAL250004663121	1	42	-1.0	-48.65	338.17	6.11	-42.54
O=C(NC1CCC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663122	0	36	-1.0	-35.21	299.64	3.56	-31.65
O=C(NC1CCC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663122	1	36	-1.0	-35.21	299.71	3.56	-31.65
CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663123	0	39	-1.0	-47.95	311.17	3.58	-44.37
CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663123	1	39	-1.0	-47.95	311.23	3.60	-44.35
CC1SCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004663124	0	33	-1.0	-44.79	279.95	3.45	-41.34
CC1SCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004663124	1	33	-1.0	-44.79	280.00	3.46	-41.33
CC1SCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663125	0	33	-1.0	-35.30	291.61	3.56	-31.74
CC1SCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663125	1	33	-1.0	-35.23	291.67	3.56	-31.67
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2(CCCC2)O1	REAL250004663126	0	43	-1.0	-46.45	330.12	4.52	-41.93
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2(CCCC2)O1	REAL250004663126	1	43	-1.0	-46.43	330.18	4.54	-41.89
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(F)C1	REAL250004663127	0	32	-1.0	-47.53	268.60	3.76	-43.77
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(F)C1	REAL250004663127	1	32	-1.0	-47.58	268.65	3.77	-43.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(F)(F)C1	REAL250004663128	0	32	-1.0	-36.65	276.70	3.96	-32.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(F)(F)C1	REAL250004663128	1	32	-1.0	-36.61	276.77	3.97	-32.64
CC(C)OC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663129	0	42	-1.0	-48.24	331.20	4.31	-43.93
CC(C)OC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663129	1	42	-1.0	-48.28	331.25	4.32	-43.96
COC[C@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663130	0	37	-1.0	-48.18	303.67	-0.62	-48.80
COC[C@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663130	1	37	-1.0	-48.23	303.73	-0.61	-48.84
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL250004663131	0	42	-1.0	-46.36	321.00	7.37	-38.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL250004663131	1	42	-1.0	-46.38	321.06	7.39	-38.99
COC(=O)C1CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663133	0	39	-1.0	-49.56	322.61	0.87	-48.69
COC(=O)C1CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663133	1	39	-1.0	-49.56	322.67	0.88	-48.68
CC#CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663134	0	34	-1.0	-47.78	298.73	0.35	-47.43
CC#CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663134	1	34	-1.0	-47.76	298.79	0.37	-47.39
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL250004663135	0	38	-1.0	-53.84	306.55	0.92	-52.92
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL250004663135	1	38	-1.0	-53.81	306.60	0.93	-52.88
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663136	0	39	-1.0	-48.69	313.69	2.22	-46.47
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663136	1	39	-1.0	-48.70	313.75	2.24	-46.46
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(C)O	REAL250004663137	0	41	-1.0	-49.07	324.58	1.23	-47.84
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(C)O	REAL250004663137	1	41	-1.0	-49.10	324.64	1.24	-47.86
O=C(NC1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663138	0	30	-1.0	-35.09	265.82	2.29	-32.80
O=C(NC1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663138	1	30	-1.0	-35.06	265.89	2.29	-32.77
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(F)(F)C2	REAL250004663139	0	39	-1.0	-46.79	303.61	5.39	-41.40
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(F)(F)C2	REAL250004663139	1	39	-1.0	-46.79	303.67	5.40	-41.39
CC(COCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004663140	0	39	-1.0	-45.87	325.25	3.03	-42.84
CC(COCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004663140	1	39	-1.0	-45.89	325.31	3.04	-42.85
COC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663141	0	31	-1.0	-50.87	276.37	-0.06	-50.93
COC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663141	1	31	-1.0	-50.83	276.31	-0.07	-50.90
COC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004663142	0	31	-1.0	-37.41	286.96	-0.29	-37.70
COC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004663142	1	31	-1.0	-37.48	286.89	-0.30	-37.78
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2CCCC[C@H]21	REAL250004663143	0	36	-1.0	-38.31	293.43	4.54	-33.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CCCC[C@H]21	REAL250004663143	1	36	-1.0	-38.32	293.50	4.55	-33.77
CCN(CCSC)C(=O)CCCC1=N[N-]N=N1	REAL250004663144	0	35	-1.0	-47.45	301.97	4.71	-42.74
CCN(CCSC)C(=O)CCCC1=NN=N[N-]1	REAL250004663144	1	35	-1.0	-47.42	302.03	4.72	-42.70
CCN(CCSC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663145	0	35	-1.0	-35.66	308.24	5.43	-30.23
CCN(CCSC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663145	1	35	-1.0	-35.65	308.31	5.43	-30.22
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663146	0	36	-1.0	-46.28	282.47	0.86	-45.42
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663146	1	36	-1.0	-46.24	282.53	0.87	-45.37
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663147	0	36	-1.0	-35.31	290.73	1.04	-34.27
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663147	1	36	-1.0	-35.28	290.80	1.05	-34.23
CCCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004663148	0	39	-1.0	-52.75	325.55	2.34	-50.41
CCCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004663148	1	39	-1.0	-52.75	325.61	2.36	-50.39
CN(C)C(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663149	0	41	-1.0	-54.17	319.66	2.67	-51.50
CN(C)C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663149	1	41	-1.0	-54.21	319.72	2.69	-51.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCCC2	REAL250004663150	0	36	-1.0	-38.48	297.39	4.43	-34.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCCC2	REAL250004663150	1	36	-1.0	-38.43	297.46	4.44	-33.99
CC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663151	0	39	-1.0	-48.61	324.51	5.42	-43.19
CC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663151	1	39	-1.0	-48.63	324.57	5.43	-43.20
COC(=O)C(CNC(=O)CCCC1=N[N-]N=N1)CC1CC1	REAL250004663152	0	41	-1.0	-48.21	341.44	4.43	-43.78
COC(=O)C(CNC(=O)CCCC1=NN=N[N-]1)CC1CC1	REAL250004663152	1	41	-1.0	-48.21	341.49	4.45	-43.76
O=C(CCCC1=N[N-]N=N1)NCCN1CCCC1=O	REAL250004663153	0	36	-1.0	-55.01	305.23	1.55	-53.46
O=C(CCCC1=NN=N[N-]1)NCCN1CCCC1=O	REAL250004663153	1	36	-1.0	-55.04	305.29	1.56	-53.48
CCN1CC(CNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004663154	0	39	-1.0	-52.28	325.42	2.16	-50.12
CCN1CC(CNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004663154	1	39	-1.0	-52.29	325.48	2.17	-50.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(F)C1	REAL250004663155	0	32	-1.0	-35.79	271.36	3.91	-31.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(F)C1	REAL250004663155	1	32	-1.0	-35.78	271.43	3.91	-31.87
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663156	0	41	-1.0	-46.47	328.68	4.50	-41.97
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663156	1	41	-1.0	-46.45	328.73	4.51	-41.94
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2(F)F)CC1	REAL250004663157	0	36	-1.0	-48.98	300.22	5.08	-43.90
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2(F)F)CC1	REAL250004663157	1	36	-1.0	-48.99	300.27	5.10	-43.89
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004663158	0	33	-1.0	-48.36	273.66	1.69	-46.67
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004663158	1	33	-1.0	-48.35	273.71	1.71	-46.64
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004663159	0	33	-1.0	-40.55	281.05	1.90	-38.65
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004663159	1	33	-1.0	-40.53	281.11	1.91	-38.62
CCC1COC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663160	0	42	-1.0	-45.47	318.35	4.01	-41.46
CCC1COC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663160	1	42	-1.0	-45.50	318.41	4.03	-41.47
CCC1CN(C(=O)CCCC2=N[N-]N=N2)C(CC)CO1	REAL250004663161	0	42	-1.0	-46.17	329.05	4.53	-41.64
CCC1CN(C(=O)CCCC2=NN=N[N-]2)C(CC)CO1	REAL250004663161	1	42	-1.0	-46.19	329.11	4.54	-41.65
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)N=C1C(C)(C)C	REAL250004663162	0	40	-1.0	-54.69	325.18	5.48	-49.21
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)N=C1C(C)(C)C	REAL250004663162	1	40	-1.0	-54.66	325.13	5.46	-49.20
CCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004663163	0	34	-1.0	-55.37	293.64	4.70	-50.67
CCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004663163	1	34	-1.0	-55.36	293.69	4.71	-50.65
O=C(CCCC1=N[N-]N=N1)N1CCC(C2(O)CC2)CC1	REAL250004663164	0	40	-1.0	-48.88	317.38	2.36	-46.52
O=C(CCCC1=NN=N[N-]1)N1CCC(C2(O)CC2)CC1	REAL250004663164	1	40	-1.0	-48.87	317.43	2.37	-46.50
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CC2CCC1O2	REAL250004663165	0	38	-1.0	-46.16	309.85	0.25	-45.91
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CC2CCC1O2	REAL250004663165	1	38	-1.0	-46.17	309.91	0.26	-45.91
CC(CO)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663166	0	42	-1.0	-49.04	323.13	2.05	-46.99
CC(CO)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663166	1	42	-1.0	-48.99	323.19	2.06	-46.93
CC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1(F)Cl	REAL250004663167	0	35	-1.0	-48.95	308.04	3.63	-45.32
CC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1(F)Cl	REAL250004663167	1	35	-1.0	-48.98	308.10	3.65	-45.33
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCOC2=O)C1	REAL250004663168	0	38	-1.0	-57.82	312.89	2.64	-55.18
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCOC2=O)C1	REAL250004663168	1	38	-1.0	-57.83	312.94	2.66	-55.17
COCC1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663169	0	35	-1.0	-48.67	309.34	-0.64	-49.31
COCC1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663169	1	35	-1.0	-48.71	309.40	-0.63	-49.34
CC(C)C[C@@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663170	0	38	-1.0	-45.99	309.25	0.32	-45.67
CC(C)C[C@@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663170	1	38	-1.0	-46.01	309.31	0.34	-45.67
CC(C)C[C@@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663171	0	38	-1.0	-36.48	319.93	0.09	-36.39
CC(C)C[C@@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663171	1	38	-1.0	-36.39	320.00	0.10	-36.29
CC(C)C[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663172	0	38	-1.0	-46.02	309.34	0.29	-45.73
CC(C)C[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663172	1	38	-1.0	-46.04	309.40	0.30	-45.74
CC(C)C[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663173	0	38	-1.0	-36.47	320.00	0.09	-36.38
CC(C)C[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663173	1	38	-1.0	-36.42	320.06	0.11	-36.31
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CCOC2)CC1	REAL250004663174	0	42	-1.0	-47.45	324.37	1.30	-46.15
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CCOC2)CC1	REAL250004663174	1	42	-1.0	-47.45	324.43	1.32	-46.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC2C1	REAL250004663175	0	33	-1.0	-36.12	274.88	4.30	-31.82
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC2C1	REAL250004663175	1	33	-1.0	-36.13	274.95	4.30	-31.83
CC(C)(C)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663176	0	41	-1.0	-46.68	330.50	2.40	-44.28
CC(C)(C)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663176	1	41	-1.0	-46.69	330.56	2.41	-44.28
CC1COC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663177	0	40	-1.0	-45.53	308.32	3.69	-41.84
CC1COC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663177	1	40	-1.0	-45.52	308.38	3.71	-41.81
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCCC2)C1	REAL250004663178	0	45	-1.0	-47.25	344.87	6.59	-40.66
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCCC2)C1	REAL250004663178	1	45	-1.0	-47.27	344.93	6.61	-40.66
CCO[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663180	0	36	-1.0	-47.41	301.20	1.88	-45.53
CCO[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663180	1	36	-1.0	-47.47	301.26	1.90	-45.57
CCO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663181	0	36	-1.0	-35.29	311.79	1.68	-33.61
CCO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663181	1	36	-1.0	-35.23	311.86	1.69	-33.54
CCNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663182	0	32	-1.0	-40.11	288.73	-1.26	-41.37
CCNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663182	1	32	-1.0	-40.06	288.80	-1.24	-41.30
CN(CC1C[NH+](C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663184	0	37	-1.0	-36.23	306.76	1.32	-34.91
CN(CC1CN(C)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663184	1	37	-1.0	-36.27	306.70	1.29	-34.98
CN(CC1CN(C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663184	1	37	-1.0	-36.23	306.76	1.32	-34.91
O=C(CCCC1=N[N-]N=N1)NN1CCC2=CC=CC=C2C1	REAL250004663185	0	38	-1.0	-47.11	311.65	4.49	-42.62
O=C(CCCC1=NN=N[N-]1)NN1CCC2=CC=CC=C2C1	REAL250004663185	1	38	-1.0	-47.16	311.71	4.50	-42.66
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2C=CC=CN12	REAL250004663186	0	32	-1.0	-55.80	279.24	4.78	-51.02
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2C=CC=CN12	REAL250004663186	1	32	-1.0	-55.83	279.30	4.80	-51.03
CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004663187	0	38	-1.0	-52.54	313.01	5.78	-46.76
CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004663187	1	38	-1.0	-52.52	313.06	5.80	-46.72
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C)C1=O	REAL250004663188	0	37	-1.0	-47.14	298.34	4.17	-42.97
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C)C1=O	REAL250004663188	1	37	-1.0	-47.16	298.40	4.18	-42.98
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C12CCCCC2	REAL250004663189	0	43	-1.0	-46.35	314.32	2.29	-44.06
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C12CCCCC2	REAL250004663189	1	43	-1.0	-46.34	314.38	2.30	-44.04
CN(C)C(=O)OCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663190	0	36	-1.0	-49.79	311.11	0.75	-49.04
CN(C)C(=O)OCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663190	1	36	-1.0	-49.82	311.17	0.76	-49.06
CC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004663191	0	39	-1.0	-47.06	316.87	6.43	-40.63
CC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004663191	1	39	-1.0	-47.09	316.92	6.45	-40.64
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(C(F)F)C2	REAL250004663192	0	33	-1.0	-55.24	278.93	4.22	-51.02
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(C(F)F)C2	REAL250004663192	1	33	-1.0	-55.27	278.99	4.24	-51.03
CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004663193	0	38	-1.0	-52.54	313.01	5.78	-46.76
CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004663193	1	38	-1.0	-52.52	313.06	5.80	-46.72
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC=N1	REAL250004663194	0	28	-1.0	-49.84	255.76	3.14	-46.70
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC=N1	REAL250004663194	1	28	-1.0	-49.89	255.70	3.12	-46.77
O=C(NC1=CC(F)=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663195	0	28	-1.0	-37.41	266.35	2.92	-34.49
O=C(NC1=CC(F)=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663195	1	28	-1.0	-37.43	266.28	2.92	-34.51
COCC1(C2CCC2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663196	0	43	-1.0	-48.32	340.74	4.36	-43.96
COCC1(C2CCC2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663196	1	43	-1.0	-48.35	340.80	4.38	-43.97
COCCN(CCF)C(=O)CCCC1=N[N-]N=N1	REAL250004663197	0	35	-1.0	-45.19	295.20	2.80	-42.39
COCCN(CCF)C(=O)CCCC1=NN=N[N-]1	REAL250004663197	1	35	-1.0	-45.17	295.26	2.82	-42.35
COCCN(CCF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663198	0	35	-1.0	-35.29	303.02	3.49	-31.80
COCCN(CCF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663198	1	35	-1.0	-35.26	303.08	3.49	-31.77
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=CC=CC=C21	REAL250004663199	0	36	-1.0	-49.81	302.02	4.72	-45.09
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=CC=CC=C21	REAL250004663199	1	36	-1.0	-49.82	302.08	4.74	-45.08
C=CCCSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663200	0	36	-1.0	-48.08	319.68	3.93	-44.15
C=CCCSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663200	1	36	-1.0	-48.09	319.74	3.94	-44.15
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCCC2)CC1	REAL250004663201	0	45	-1.0	-47.03	339.37	5.30	-41.73
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCCC2)CC1	REAL250004663201	1	45	-1.0	-47.05	339.43	5.32	-41.73
O=C(NC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663202	0	30	-1.0	-35.76	266.15	2.28	-33.48
O=C(NC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663202	1	30	-1.0	-35.75	266.23	2.28	-33.47
O=C(CCCC1=N[N-]N=N1)NCCOC1CC1(F)F	REAL250004663203	0	33	-1.0	-51.13	298.40	1.51	-49.62
O=C(CCCC1=NN=N[N-]1)NCCOC1CC1(F)F	REAL250004663203	1	33	-1.0	-51.12	298.46	1.52	-49.60
O=C(CCCC1=N[N-]N=N1)N1CCC2NC(=O)CCC2C1	REAL250004663204	0	40	-1.0	-51.65	315.69	2.03	-49.62
O=C(CCCC1=NN=N[N-]1)N1CCC2NC(=O)CCC2C1	REAL250004663204	1	40	-1.0	-51.68	315.75	2.04	-49.64
CN(CC1COCCO1)C(=O)CCCC1=N[N-]N=N1	REAL250004663205	0	37	-1.0	-50.81	301.12	2.26	-48.55
CN(CC1COCCO1)C(=O)CCCC1=NN=N[N-]1	REAL250004663205	1	37	-1.0	-50.81	301.18	2.28	-48.53
CN(CC1=CCCOC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663206	0	37	-1.0	-49.03	300.20	3.29	-45.74
CN(CC1=CCCOC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663206	1	37	-1.0	-49.05	300.26	3.31	-45.74
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCCC2)CC1	REAL250004663207	0	45	-1.0	-46.14	325.76	6.09	-40.05
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCCC2)CC1	REAL250004663207	1	45	-1.0	-46.14	325.82	6.10	-40.04
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCC2)CC1	REAL250004663208	0	42	-1.0	-46.61	324.61	6.22	-40.39
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCC2)CC1	REAL250004663208	1	42	-1.0	-46.61	324.66	6.23	-40.38
C[C@@]12COC[C@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004663209	0	40	-1.0	-47.17	310.22	2.78	-44.39
C[C@@]12COC[C@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004663209	1	40	-1.0	-47.20	310.28	2.80	-44.40
CO[C@@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663210	0	32	-1.0	-36.06	283.64	0.06	-36.00
CO[C@@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663210	1	32	-1.0	-36.07	283.71	0.06	-36.01
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC2(F)F)C1	REAL250004663211	0	33	-1.0	-47.96	291.92	3.51	-44.45
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC2(F)F)C1	REAL250004663211	1	33	-1.0	-47.98	291.98	3.52	-44.46
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(CO)CC1	REAL250004663212	0	37	-1.0	-47.82	296.02	-1.91	-49.73
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(CO)CC1	REAL250004663212	1	37	-1.0	-47.85	296.08	-1.89	-49.74
CC(C)(F)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663213	0	34	-1.0	-36.64	295.30	2.32	-34.32
CC(C)(F)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663213	1	34	-1.0	-36.58	295.37	2.33	-34.25
O=C(CCCC1=N[N-]N=N1)NCC1(O)CC2C=CC1C2	REAL250004663214	0	38	-1.0	-47.61	305.66	1.11	-46.50
O=C(CCCC1=NN=N[N-]1)NCC1(O)CC2C=CC1C2	REAL250004663214	1	38	-1.0	-47.59	305.71	1.12	-46.47
O=C(NCC1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663215	0	33	-1.0	-36.95	286.54	0.55	-36.40
O=C(NCC1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663215	1	33	-1.0	-36.90	286.60	0.56	-36.34
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004663216	0	41	-1.0	-48.04	328.77	5.30	-42.74
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004663216	1	41	-1.0	-48.06	328.83	5.32	-42.74
C=CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663217	0	39	-1.0	-46.71	310.37	5.44	-41.27
C=CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663217	1	39	-1.0	-46.72	310.43	5.46	-41.26
C=CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663218	0	39	-1.0	-35.31	318.35	5.70	-29.61
C=CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663218	1	39	-1.0	-35.30	318.42	5.71	-29.59
N#CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004663219	0	36	-1.0	-51.56	301.02	3.54	-48.02
N#CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004663219	1	36	-1.0	-51.53	301.08	3.56	-47.97
N#CC1CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663220	0	36	-1.0	-39.96	306.91	2.96	-37.00
N#CC1CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663220	1	36	-1.0	-39.98	306.98	2.97	-37.01
CCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004663221	0	32	-1.0	-39.72	287.21	2.77	-36.95
CCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004663221	1	32	-1.0	-39.73	287.14	2.74	-36.99
CCC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663222	0	37	-1.0	-34.85	308.56	2.96	-31.89
CCC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663222	1	37	-1.0	-34.85	308.63	2.98	-31.87
COC1(CO)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663223	0	40	-1.0	-49.79	311.78	0.32	-49.47
COC1(CO)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663223	1	40	-1.0	-49.83	311.84	0.33	-49.50
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(F)(F)C1	REAL250004663224	0	33	-1.0	-49.33	278.96	0.46	-48.87
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(F)(F)C1	REAL250004663224	1	33	-1.0	-49.33	279.01	0.47	-48.86
C#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663225	0	37	-1.0	-47.96	303.33	5.40	-42.56
C#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663225	1	37	-1.0	-47.95	303.39	5.41	-42.54
C#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663226	0	37	-1.0	-37.58	311.68	5.60	-31.98
C#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663226	1	37	-1.0	-37.62	311.74	5.61	-32.01
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=C(F)C=C1	REAL250004663227	0	36	-1.0	-50.61	310.51	5.95	-44.66
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=C(F)C=C1	REAL250004663227	1	36	-1.0	-50.58	310.57	5.96	-44.62
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2OC=CC2=C1	REAL250004663228	0	35	-1.0	-48.34	306.47	3.81	-44.53
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2OC=CC2=C1	REAL250004663228	1	35	-1.0	-48.36	306.53	3.83	-44.53
O=C(NCCOC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663229	0	29	-1.0	-37.02	274.96	-0.31	-37.33
O=C(NCCOC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663229	1	29	-1.0	-37.04	275.03	-0.30	-37.34
CC1=CC=NC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663230	0	37	-1.0	-50.22	311.24	2.93	-47.29
CC1=CC=NC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663230	1	37	-1.0	-50.23	311.30	2.94	-47.29
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663231	0	39	-1.0	-47.52	318.68	5.56	-41.96
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663231	1	39	-1.0	-47.55	318.74	5.58	-41.97
CO[C@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663232	0	32	-1.0	-36.14	283.34	0.13	-36.01
CO[C@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663232	1	32	-1.0	-36.09	283.40	0.13	-35.96
CCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004663233	0	34	-1.0	-52.00	297.31	0.81	-51.19
CCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004663233	1	34	-1.0	-52.03	297.37	0.82	-51.21
CCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004663234	0	34	-1.0	-42.28	307.90	0.59	-41.69
CCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004663234	1	34	-1.0	-42.24	307.97	0.60	-41.64
C[C@H]1CC[C@@](C)(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004663235	0	47	-1.0	-46.14	343.56	4.95	-41.19
C[C@H]1CC[C@@](C)(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004663235	1	47	-1.0	-46.18	343.62	4.97	-41.21
CC1=NN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL250004663236	0	33	-1.0	-50.40	289.28	-1.45	-51.85
CC1=NN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL250004663236	1	33	-1.0	-50.43	289.34	-1.43	-51.86
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004663237	0	41	-1.0	-48.59	339.00	5.45	-43.14
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004663237	1	41	-1.0	-48.66	339.06	5.47	-43.19
O=C(CCCC1=N[N-]N=N1)NNC1=CC(F)=CC(Cl)=C1	REAL250004663238	0	31	-1.0	-45.14	293.05	3.57	-41.57
O=C(CCCC1=NN=N[N-]1)NNC1=CC(F)=CC(Cl)=C1	REAL250004663238	1	31	-1.0	-45.16	293.11	3.58	-41.58
N#CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663239	0	32	-1.0	-49.88	290.75	3.37	-46.51
N#CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663239	1	32	-1.0	-49.87	290.81	3.39	-46.48
CC1CC(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663240	0	44	-1.0	-45.95	342.85	5.09	-40.86
CC1CC(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663240	1	44	-1.0	-45.99	342.90	5.11	-40.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=C1)C=CNC2=O	REAL250004663241	0	35	-1.0	-52.21	304.04	2.62	-49.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=C1)C=CNC2=O	REAL250004663241	1	35	-1.0	-52.21	304.10	2.63	-49.58
CSCC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663242	0	39	-1.0	-47.03	334.47	4.38	-42.65
CSCC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663242	1	39	-1.0	-47.10	334.52	4.40	-42.70
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)C1O	REAL250004663243	0	39	-1.0	-48.37	305.37	1.71	-46.66
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)C1O	REAL250004663243	1	39	-1.0	-48.34	305.43	1.73	-46.61
CC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663244	0	32	-1.0	-37.23	286.52	1.51	-35.72
CC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663244	1	32	-1.0	-37.19	286.59	1.52	-35.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(N2CCCC2)C1	REAL250004663246	0	38	-1.0	-35.86	317.25	1.98	-33.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(N2CCCC2)C1	REAL250004663246	1	38	-1.0	-35.86	317.25	1.98	-33.88
CN(CC1=CC=NS1)C(=O)CCCC1=N[N-]N=N1	REAL250004663247	0	31	-1.0	-52.19	281.98	3.41	-48.78
CN(CC1=CC=NS1)C(=O)CCCC1=NN=N[N-]1	REAL250004663247	1	31	-1.0	-52.18	282.04	3.43	-48.75
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1CC1	REAL250004663248	0	33	-1.0	-47.01	284.60	1.99	-45.02
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1CC1	REAL250004663248	1	33	-1.0	-47.03	284.66	2.01	-45.02
O=C(NC1=CNN=C1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663249	0	33	-1.0	-35.92	295.15	1.79	-34.13
O=C(NC1=CNN=C1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663249	1	33	-1.0	-35.90	295.22	1.80	-34.10
CC1=NOC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C12	REAL250004663250	0	34	-1.0	-49.16	297.67	3.42	-45.74
CC1=NOC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C12	REAL250004663250	1	34	-1.0	-49.17	297.73	3.44	-45.73
O=C(NCC=CCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663251	0	30	-1.0	-37.41	275.35	-1.69	-39.10
O=C(NCC=CCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663251	1	30	-1.0	-37.39	275.42	-1.68	-39.07
O=C(CCCC1=N[N-]N=N1)NCC1(OCCO)CCOC1	REAL250004663252	0	41	-1.0	-48.41	334.43	-2.71	-51.12
O=C(CCCC1=NN=N[N-]1)NCC1(OCCO)CCOC1	REAL250004663252	1	41	-1.0	-48.46	334.49	-2.70	-51.16
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC(Cl)=C1	REAL250004663253	0	30	-1.0	-48.06	281.74	1.63	-46.43
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC(Cl)=C1	REAL250004663253	1	30	-1.0	-48.08	281.80	1.64	-46.44
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004663254	0	47	-1.0	-45.97	328.38	6.48	-39.49
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004663254	1	47	-1.0	-46.01	328.44	6.49	-39.52
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)(C2CC2)C1	REAL250004663255	0	40	-1.0	-49.53	309.59	2.70	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)(C2CC2)C1	REAL250004663255	1	40	-1.0	-49.56	309.65	2.71	-46.85
CC1CN(CCNC(=O)CCCC2=N[N-]N=N2)C(C)CO1	REAL250004663256	0	44	-1.0	-47.58	340.01	-0.01	-47.59
CC1CN(CCNC(=O)CCCC2=NN=N[N-]2)C(C)CO1	REAL250004663256	1	44	-1.0	-47.61	340.06	0.01	-47.60
CC(NC(=O)CCCC1=N[N-]N=N1)C1(CO)CC1	REAL250004663260	0	36	-1.0	-50.12	294.93	-0.10	-50.22
CC(NC(=O)CCCC1=NN=N[N-]1)C1(CO)CC1	REAL250004663260	1	36	-1.0	-50.15	294.99	-0.09	-50.24
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(CO)CC1	REAL250004663261	0	36	-1.0	-38.12	306.88	0.12	-38.00
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(CO)CC1	REAL250004663261	1	36	-1.0	-38.12	306.94	0.13	-37.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@H]1O	REAL250004663263	0	36	-1.0	-49.80	292.32	-0.13	-49.93
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@H]1O	REAL250004663263	1	36	-1.0	-49.78	292.38	-0.11	-49.89
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663264	0	36	-1.0	-38.00	302.92	-0.33	-38.33
O=C(N[C@@H]1CCCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663264	1	36	-1.0	-37.98	302.98	-0.30	-38.28
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004663266	0	40	-1.0	-49.17	322.06	0.69	-48.48
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004663266	1	40	-1.0	-49.23	322.12	0.70	-48.53
NC(=O)C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663267	0	32	-1.0	-48.55	293.23	-5.05	-53.60
NC(=O)C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663267	1	32	-1.0	-48.59	293.29	-5.03	-53.62
O=C(CCCC1=N[N-]N=N1)NCC1CCC(=O)O1	REAL250004663268	0	32	-1.0	-53.43	278.47	1.80	-51.63
O=C(CCCC1=NN=N[N-]1)NCC1CCC(=O)O1	REAL250004663268	1	32	-1.0	-53.41	278.53	1.82	-51.59
O=C(NCC1CCC(=O)O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663269	0	32	-1.0	-43.87	289.06	1.60	-42.27
O=C(NCC1CCC(=O)O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663269	1	32	-1.0	-43.84	289.13	1.61	-42.23
O=C(CCCC1=N[N-]N=N1)NCC1=NN2CCCC2=C1	REAL250004663270	0	36	-1.0	-51.07	305.62	1.97	-49.10
O=C(CCCC1=NN=N[N-]1)NCC1=NN2CCCC2=C1	REAL250004663270	1	36	-1.0	-51.10	305.68	1.98	-49.12
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004663271	0	36	-1.0	-48.83	289.27	2.51	-46.32
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004663271	1	36	-1.0	-48.85	289.33	2.53	-46.32
CC1=C(C(C)C)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004663272	0	37	-1.0	-45.91	320.02	4.14	-41.77
CC1=C(C(C)C)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004663272	1	37	-1.0	-45.93	320.08	4.16	-41.77
O=C(CCCC1=NN=N[N-]1)N1CCC(CN2C=CN=N2)C1	REAL250004663273	0	38	-1.0	-51.98	317.74	3.23	-48.75
O=C(CCCC1=N[N-]N=N1)N1CCC(CN2C=CN=N2)C1	REAL250004663273	1	38	-1.0	-51.96	317.68	3.21	-48.75
CCC(O)(CC)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663274	0	47	-1.0	-46.30	340.57	1.71	-44.59
CCC(O)(CC)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663274	1	47	-1.0	-46.27	340.63	1.73	-44.54
O=C(CCCC1=N[N-]N=N1)N1CCC12CCOCC2	REAL250004663275	0	37	-1.0	-49.04	290.77	2.58	-46.46
O=C(CCCC1=NN=N[N-]1)N1CCC12CCOCC2	REAL250004663275	1	37	-1.0	-49.05	290.83	2.60	-46.45
CCN1N=CC(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663276	0	35	-1.0	-48.29	293.25	3.47	-44.82
CCN1N=CC(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663276	1	35	-1.0	-48.28	293.18	3.45	-44.83
CCN1N=CC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663277	0	35	-1.0	-36.03	303.61	3.28	-32.75
CCN1N=CC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663277	1	35	-1.0	-36.05	303.54	3.26	-32.79
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NN=C1C1CC1	REAL250004663278	0	35	-1.0	-61.99	302.25	6.35	-55.64
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NN=C1C1CC1	REAL250004663278	1	35	-1.0	-61.98	302.31	6.37	-55.61
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004663279	0	38	-1.0	-45.75	292.26	4.83	-40.92
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004663279	1	38	-1.0	-45.69	292.32	4.85	-40.84
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)C1	REAL250004663280	0	38	-1.0	-34.68	299.87	5.09	-29.59
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)C1	REAL250004663280	1	38	-1.0	-34.65	299.94	5.11	-29.54
COC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004663281	0	38	-1.0	-52.18	323.11	2.29	-49.89
COC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004663281	1	38	-1.0	-52.15	323.06	2.27	-49.88
N#CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663282	0	36	-1.0	-51.15	296.91	4.58	-46.57
N#CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663282	1	36	-1.0	-51.12	296.97	4.60	-46.52
N#CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663283	0	36	-1.0	-44.10	305.25	4.78	-39.32
N#CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663283	1	36	-1.0	-44.07	305.31	4.80	-39.27
CS(=O)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663284	0	40	-1.0	-56.55	327.09	1.95	-54.60
CS(=O)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663284	1	40	-1.0	-56.58	327.15	1.96	-54.62
O=C(CCCC1=N[N-]N=N1)NC1CC2C(C1)C2(F)F	REAL250004663285	0	33	-1.0	-47.61	285.59	3.43	-44.18
O=C(CCCC1=NN=N[N-]1)NC1CC2C(C1)C2(F)F	REAL250004663285	1	33	-1.0	-47.61	285.65	3.44	-44.17
CN(CC1=CNC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663288	0	32	-1.0	-44.12	284.23	3.58	-40.54
CN(CC1=CNC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663288	1	32	-1.0	-44.12	284.30	3.58	-40.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(O)C=C1Cl	REAL250004663289	0	30	-1.0	-45.61	279.03	1.13	-44.48
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(O)C=C1Cl	REAL250004663289	1	30	-1.0	-45.65	279.08	1.15	-44.50
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663290	0	32	-1.0	-53.26	281.52	1.83	-51.43
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663290	1	32	-1.0	-53.24	281.46	1.81	-51.43
COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004663291	0	32	-1.0	-39.73	292.11	1.61	-38.12
COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004663291	1	32	-1.0	-39.78	292.04	1.61	-38.17
O=C(CCCC1=N[N-]N=N1)NC(CO)C1CCC1	REAL250004663292	0	36	-1.0	-46.01	297.41	-0.02	-46.03
O=C(CCCC1=NN=N[N-]1)NC(CO)C1CCC1	REAL250004663292	1	36	-1.0	-46.03	297.47	0.00	-46.03
O=C(NC(CO)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663293	0	36	-1.0	-36.31	308.38	-0.06	-36.37
O=C(NC(CO)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663293	1	36	-1.0	-36.35	308.45	-0.04	-36.39
CCC(COCC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004663294	0	42	-1.0	-45.13	339.27	3.64	-41.49
CCC(COCC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004663294	1	42	-1.0	-45.14	339.33	3.65	-41.49
O=C(CCCC1=N[N-]N=N1)N1CC2C(C1)C1CCC2CC1	REAL250004663296	0	43	-1.0	-46.66	315.70	5.77	-40.89
O=C(CCCC1=NN=N[N-]1)N1CC2C(C1)C1CCC2CC1	REAL250004663296	1	43	-1.0	-46.67	315.76	5.79	-40.88
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C#N)=C1	REAL250004663298	0	39	-1.0	-48.41	326.18	5.14	-43.27
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C#N)=C1	REAL250004663298	1	39	-1.0	-48.42	326.24	5.16	-43.26
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCC2)CC1	REAL250004663299	0	45	-1.0	-46.91	319.32	6.76	-40.15
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCC2)CC1	REAL250004663299	1	45	-1.0	-46.90	319.37	6.78	-40.12
O=C(CCCC1=N[N-]N=N1)NC1CCC2C(C1)C2(F)F	REAL250004663300	0	36	-1.0	-47.02	298.49	3.85	-43.17
O=C(CCCC1=NN=N[N-]1)NC1CCC2C(C1)C2(F)F	REAL250004663300	1	36	-1.0	-47.00	298.55	3.87	-43.13
CCC(C)(C)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663301	0	40	-1.0	-46.48	304.52	3.74	-42.74
CCC(C)(C)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663301	1	40	-1.0	-46.49	304.57	3.75	-42.74
CCC(C)(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663302	0	40	-1.0	-35.09	315.11	3.54	-31.55
CCC(C)(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663302	1	40	-1.0	-35.10	315.18	3.56	-31.54
CC1=CC=C(F)C=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004663303	0	34	-1.0	-46.20	294.13	3.77	-42.43
CC1=CC=C(F)C=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004663303	1	34	-1.0	-46.18	294.19	3.79	-42.39
CCC1=CC=C(C)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663304	0	37	-1.0	-53.09	310.40	5.17	-47.92
CCC1=CC=C(C)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663304	1	37	-1.0	-53.14	310.45	5.18	-47.96
CSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663305	0	29	-1.0	-35.77	274.50	1.48	-34.29
CSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663305	1	29	-1.0	-35.76	274.57	1.49	-34.27
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004663306	0	43	-1.0	-46.93	342.44	1.41	-45.52
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004663306	1	43	-1.0	-46.89	342.49	1.42	-45.47
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(CCC(=O)N2)C1	REAL250004663307	0	38	-1.0	-50.71	308.23	2.64	-48.07
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(CCC(=O)N2)C1	REAL250004663307	1	38	-1.0	-50.73	308.29	2.66	-48.07
CC1=CC=C(C(CF)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004663310	0	38	-1.0	-49.62	321.64	5.10	-44.52
CC1=CC=C(C(CF)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004663310	1	38	-1.0	-49.60	321.70	5.12	-44.48
COCC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004663311	0	39	-1.0	-46.53	310.89	2.15	-44.38
COCC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004663311	1	39	-1.0	-46.56	310.95	2.17	-44.39
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CO2)CC1	REAL250004663312	0	39	-1.0	-49.56	318.33	5.33	-44.23
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CO2)CC1	REAL250004663312	1	39	-1.0	-49.60	318.39	5.35	-44.25
CC1(C2CC2)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004663313	0	40	-1.0	-46.59	310.09	4.08	-42.51
CC1(C2CC2)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004663313	1	40	-1.0	-46.61	310.15	4.10	-42.51
C=CCC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004663314	0	42	-1.0	-46.60	332.15	5.23	-41.37
C=CCC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004663314	1	42	-1.0	-46.59	332.20	5.24	-41.35
COCC(CCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004663315	0	39	-1.0	-49.33	323.38	0.14	-49.19
COCC(CCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004663315	1	39	-1.0	-49.35	323.43	0.15	-49.20
N#CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004663316	0	36	-1.0	-51.00	321.44	4.64	-46.36
N#CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004663316	1	36	-1.0	-51.00	321.50	4.66	-46.34
C=CCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004663317	0	45	-1.0	-46.13	349.77	5.66	-40.47
C=CCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004663317	1	45	-1.0	-46.16	349.83	5.68	-40.48
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004663318	0	37	-1.0	-50.14	310.67	2.99	-47.15
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004663318	1	37	-1.0	-50.17	310.72	3.01	-47.16
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C2=NC=NN21	REAL250004663320	0	35	-1.0	-56.59	298.30	2.90	-53.69
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C2=NC=NN21	REAL250004663320	1	35	-1.0	-56.61	298.36	2.92	-53.69
CN(C(=O)CCCC1=N[N-]N=N1)C1CC(C(C)(C)C)C1	REAL250004663321	0	44	-1.0	-47.20	330.60	5.71	-41.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(C(C)(C)C)C1	REAL250004663321	1	44	-1.0	-47.16	330.66	5.72	-41.44
COC1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663322	0	39	-1.0	-49.64	304.07	3.64	-46.00
COC1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663322	1	39	-1.0	-49.67	304.13	3.66	-46.01
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCCC2	REAL250004663323	0	45	-1.0	-46.54	334.53	5.71	-40.83
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCCC2	REAL250004663323	1	45	-1.0	-46.56	334.58	5.73	-40.83
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	REAL250004663324	0	40	-1.0	-50.53	311.22	1.97	-48.56
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	REAL250004663324	1	40	-1.0	-50.55	311.28	1.98	-48.57
CCOC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663325	0	41	-1.0	-55.04	327.87	6.10	-48.94
CCOC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663325	1	41	-1.0	-55.05	327.93	6.11	-48.94
CCOC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663326	0	41	-1.0	-55.04	327.87	6.10	-48.94
CCOC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663326	1	41	-1.0	-55.05	327.93	6.11	-48.94
CN(C)C(=O)C1=CNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663327	0	36	-1.0	-57.34	306.66	0.93	-56.41
CN(C)C(=O)C1=CNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663327	1	36	-1.0	-57.38	306.71	0.95	-56.43
COC(=O)[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663328	0	38	-1.0	-54.57	306.23	5.17	-49.40
COC(=O)[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663328	1	38	-1.0	-54.53	306.29	5.18	-49.35
O=C(CCCC1=N[N-]N=N1)NC1=CC(CO)=CC(CO)=C1	REAL250004663329	0	37	-1.0	-52.27	318.89	-2.00	-54.27
O=C(CCCC1=NN=N[N-]1)NC1=CC(CO)=CC(CO)=C1	REAL250004663329	1	37	-1.0	-52.32	318.95	-1.99	-54.31
CN1OC(=O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663330	0	29	-1.0	-59.60	257.56	3.63	-55.97
CN1OC(=O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663330	1	29	-1.0	-59.62	257.62	3.64	-55.98
CN1OC(=O)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663331	0	29	-1.0	-41.53	268.13	3.42	-38.11
CN1OC(=O)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663331	1	29	-1.0	-41.48	268.20	3.42	-38.06
CCCCOC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663332	0	43	-1.0	-44.45	350.74	4.39	-40.06
CCCCOC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663332	1	43	-1.0	-44.47	350.80	4.41	-40.06
COC(=O)C1CC(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663335	0	41	-1.0	-54.31	326.99	5.76	-48.55
COC(=O)C1CC(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663335	1	41	-1.0	-54.33	327.05	5.78	-48.55
COC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663336	0	35	-1.0	-47.59	303.57	0.97	-46.62
COC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663336	1	35	-1.0	-47.56	303.52	0.96	-46.60
O=C(CCCC1=N[N-]N=N1)NC1CCN2C=NC=C12	REAL250004663337	0	33	-1.0	-55.79	282.29	3.12	-52.67
O=C(CCCC1=NN=N[N-]1)NC1CCN2C=NC=C12	REAL250004663337	1	33	-1.0	-55.78	282.34	3.13	-52.65
O=C(NC1CCN2C=NC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663338	0	33	-1.0	-42.31	292.88	2.92	-39.39
O=C(NC1CCN2C=NC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663338	1	33	-1.0	-42.29	292.95	2.92	-39.37
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1CCC1	REAL250004663339	0	42	-1.0	-45.62	308.91	5.86	-39.76
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1CCC1	REAL250004663339	1	42	-1.0	-45.66	308.97	5.87	-39.79
NC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC1C(N)=O	REAL250004663340	0	37	-1.0	-72.58	312.39	-3.80	-76.38
NC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CC1C(N)=O	REAL250004663340	1	37	-1.0	-72.59	312.44	-3.78	-76.37
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CO)C(CO)=C1	REAL250004663341	0	37	-1.0	-53.54	312.70	-1.70	-55.24
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CO)C(CO)=C1	REAL250004663341	1	37	-1.0	-53.56	312.76	-1.68	-55.24
CN1C=NC=C1C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663344	0	36	-1.0	-49.22	308.46	0.10	-49.12
CN1C=NC=C1C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663344	1	36	-1.0	-49.26	308.52	0.12	-49.14
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004663345	0	39	-1.0	-51.14	319.31	0.65	-50.49
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004663345	1	39	-1.0	-51.17	319.37	0.67	-50.50
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1C=CN=C1	REAL250004663346	0	38	-1.0	-51.45	313.01	3.99	-47.46
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1C=CN=C1	REAL250004663346	1	38	-1.0	-51.46	313.07	4.01	-47.45
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1C	REAL250004663347	0	35	-1.0	-47.08	298.52	2.56	-44.52
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1C	REAL250004663347	1	35	-1.0	-47.08	298.57	2.57	-44.51
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CN1C	REAL250004663348	0	35	-1.0	-39.72	309.12	2.34	-37.38
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CN1C	REAL250004663348	1	35	-1.0	-39.70	309.19	2.35	-37.35
O=C(CCCC1=N[N-]N=N1)N1CCCC2=C1C(=O)NC=C2	REAL250004663349	0	36	-1.0	-63.56	292.25	4.55	-59.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2=C1C(=O)NC=C2	REAL250004663349	1	36	-1.0	-63.60	292.31	4.57	-59.03
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1C=CC=N1	REAL250004663350	0	38	-1.0	-54.27	314.92	2.84	-51.43
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1C=CC=N1	REAL250004663350	1	38	-1.0	-54.26	314.86	2.83	-51.43
CCCCOC(=O)CONC(=O)CCCC1=N[N-]N=N1	REAL250004663351	0	38	-1.0	-57.19	331.91	4.55	-52.64
CCCCOC(=O)CONC(=O)CCCC1=NN=N[N-]1	REAL250004663351	1	38	-1.0	-57.19	331.97	4.57	-52.62
CC1=CC=CC(CONC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663352	0	35	-1.0	-51.84	306.84	3.40	-48.44
CC1=CC=CC(CONC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663352	1	35	-1.0	-51.85	306.89	3.41	-48.44
O=C(CCCC1=N[N-]N=N1)NOCCN1CCCC1=O	REAL250004663353	0	37	-1.0	-52.11	317.06	2.70	-49.41
O=C(CCCC1=NN=N[N-]1)NOCCN1CCCC1=O	REAL250004663353	1	37	-1.0	-52.14	317.12	2.72	-49.42
C=CCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663354	0	30	-1.0	-35.90	277.45	2.72	-33.18
C=CCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663354	1	30	-1.0	-35.89	277.51	2.72	-33.17
O=C(NOCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663355	0	27	-1.0	-39.70	254.51	-1.73	-41.43
O=C(NOCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663355	1	27	-1.0	-39.71	254.58	-1.73	-41.44
CC1=CC=CN2C(NC(=O)CCCC3=N[N-]N=N3)=CN=C12	REAL250004663357	0	35	-1.0	-55.69	300.69	5.38	-50.31
CC1=CC=CN2C(NC(=O)CCCC3=NN=N[N-]3)=CN=C12	REAL250004663357	1	35	-1.0	-55.72	300.74	5.39	-50.33
CCO[C@@]1(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663358	0	36	-1.0	-46.16	300.62	1.86	-44.30
CCO[C@@]1(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663358	1	36	-1.0	-46.14	300.68	1.88	-44.26
CCO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663359	0	36	-1.0	-36.88	311.21	1.67	-35.21
CCO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663359	1	36	-1.0	-36.81	311.28	1.67	-35.14
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CO2)C1	REAL250004663360	0	36	-1.0	-50.22	309.90	4.58	-45.64
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CO2)C1	REAL250004663360	1	36	-1.0	-50.23	309.96	4.60	-45.63
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C)O1	REAL250004663361	0	39	-1.0	-48.34	320.22	3.59	-44.75
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C)O1	REAL250004663361	1	39	-1.0	-48.39	320.27	3.60	-44.79
CCOC(=O)C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663362	0	39	-1.0	-47.53	334.00	4.07	-43.46
CCOC(=O)C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663362	1	39	-1.0	-47.56	334.06	4.09	-43.47
CCC1(CC)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663363	0	44	-1.0	-47.21	322.12	5.92	-41.29
CCC1(CC)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663363	1	44	-1.0	-47.23	322.18	5.93	-41.30
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004663364	0	42	-1.0	-50.06	344.05	5.99	-44.07
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004663364	1	42	-1.0	-50.03	344.10	6.00	-44.03
COC(=O)CC(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004663365	0	41	-1.0	-51.14	342.24	4.08	-47.06
COC(=O)CC(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004663365	1	41	-1.0	-51.16	342.30	4.09	-47.07
O=C(CCCC1=N[N-]N=N1)NCC(O)C1CCCO1	REAL250004663366	0	37	-1.0	-48.05	305.05	-1.15	-49.20
O=C(CCCC1=NN=N[N-]1)NCC(O)C1CCCO1	REAL250004663366	1	37	-1.0	-48.04	305.10	-1.13	-49.17
COC(=O)C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663367	0	36	-1.0	-47.86	312.14	3.14	-44.72
COC(=O)C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663367	1	36	-1.0	-47.89	312.20	3.16	-44.73
CC1(C)CC(=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663368	0	40	-1.0	-46.93	311.71	4.87	-42.06
CC1(C)CC(=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663368	1	40	-1.0	-46.94	311.77	4.88	-42.06
CCC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004663369	0	37	-1.0	-54.77	316.15	4.64	-50.13
CCC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004663369	1	37	-1.0	-54.79	316.21	4.65	-50.14
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004663370	0	36	-1.0	-48.11	299.94	3.63	-44.48
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004663370	1	36	-1.0	-48.12	300.00	3.64	-44.48
O=C(CCCC1=NN=N[N-]1)N1CCCC(N2C=CC=N2)C1	REAL250004663371	0	39	-1.0	-54.76	316.57	4.32	-50.44
O=C(CCCC1=N[N-]N=N1)N1CCCC(N2C=CC=N2)C1	REAL250004663371	1	39	-1.0	-54.75	316.52	4.31	-50.44
O=C(CCCC1=N[N-]N=N1)N1CCCC(CCF)C1	REAL250004663372	0	38	-1.0	-48.10	302.50	5.01	-43.09
O=C(CCCC1=NN=N[N-]1)N1CCCC(CCF)C1	REAL250004663372	1	38	-1.0	-48.13	302.56	5.02	-43.11
COCCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663373	0	45	-1.0	-47.83	351.06	4.71	-43.12
COCCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663373	1	45	-1.0	-47.81	351.12	4.72	-43.09
O=C(CCCC1=N[N-]N=N1)NCC(O)(C1CC1)C1CC1	REAL250004663374	0	40	-1.0	-46.61	318.46	2.60	-44.01
O=C(CCCC1=NN=N[N-]1)NCC(O)(C1CC1)C1CC1	REAL250004663374	1	40	-1.0	-46.58	318.51	2.61	-43.97
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=NC=C2)CCC1	REAL250004663375	0	38	-1.0	-50.02	312.09	3.66	-46.36
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=NC=C2)CCC1	REAL250004663375	1	38	-1.0	-49.96	312.03	3.64	-46.32
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1CC1	REAL250004663376	0	39	-1.0	-46.82	319.32	1.48	-45.34
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1CC1	REAL250004663376	1	39	-1.0	-46.80	319.38	1.49	-45.31
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663377	0	34	-1.0	-59.26	288.11	-2.79	-62.05
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663377	1	34	-1.0	-59.23	288.17	-2.78	-62.01
CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663378	0	35	-1.0	-53.48	303.38	2.76	-50.72
CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663378	1	35	-1.0	-53.52	303.32	2.74	-50.78
CC1(C)OCC2CC21NC(=O)CCCC1=N[N-]N=N1	REAL250004663379	0	37	-1.0	-51.07	296.53	2.04	-49.03
CC1(C)OCC2CC21NC(=O)CCCC1=NN=N[N-]1	REAL250004663379	1	37	-1.0	-51.05	296.59	2.05	-49.00
CC(C)CCC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663380	0	41	-1.0	-46.00	331.20	1.05	-44.95
CC(C)CCC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663380	1	41	-1.0	-46.04	331.26	1.06	-44.98
CC12COCC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004663381	0	37	-1.0	-47.55	294.68	2.43	-45.12
CC12COCC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004663381	1	37	-1.0	-47.55	294.74	2.44	-45.11
CCC1C(=O)N(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663382	0	39	-1.0	-53.31	312.11	3.24	-50.07
CCC1C(=O)N(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663382	1	39	-1.0	-53.30	312.17	3.25	-50.05
O=C(CCCC1=N[N-]N=N1)NC1CC(O)C12CCC2	REAL250004663383	0	37	-1.0	-46.52	301.75	0.50	-46.02
O=C(CCCC1=NN=N[N-]1)NC1CC(O)C12CCC2	REAL250004663383	1	37	-1.0	-46.52	301.81	0.51	-46.01
NC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663384	0	33	-1.0	-57.34	276.06	0.88	-56.46
NC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663384	1	33	-1.0	-57.37	276.12	0.90	-56.47
NC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663385	0	33	-1.0	-45.46	285.64	-0.02	-45.48
NC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663385	1	33	-1.0	-45.43	285.72	-0.01	-45.44
O=C(CCCC1=N[N-]N=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004663386	0	34	-1.0	-49.69	276.54	0.76	-48.93
O=C(CCCC1=NN=N[N-]1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004663386	1	34	-1.0	-49.73	276.60	0.78	-48.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004663387	0	34	-1.0	-37.08	284.36	1.04	-36.04
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@]2(O)C[C@H]2C1	REAL250004663387	1	34	-1.0	-37.06	284.43	1.04	-36.02
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004663388	0	39	-1.0	-46.79	304.90	3.48	-43.31
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004663388	1	39	-1.0	-46.82	304.96	3.49	-43.33
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1OCC2	REAL250004663389	0	34	-1.0	-47.94	288.26	3.20	-44.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1OCC2	REAL250004663389	1	34	-1.0	-47.95	288.31	3.22	-44.73
CC1=CC=C2OC(CNC(=O)CCCC3=N[N-]N=N3)=CC2=C1	REAL250004663391	0	38	-1.0	-47.64	328.36	4.66	-42.98
CC1=CC=C2OC(CNC(=O)CCCC3=NN=N[N-]3)=CC2=C1	REAL250004663391	1	38	-1.0	-47.66	328.42	4.67	-42.99
O=C(NCCC1=COC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663392	0	32	-1.0	-37.41	291.91	1.99	-35.42
O=C(NCCC1=COC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663392	1	32	-1.0	-37.41	291.98	2.00	-35.41
CCON(CC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663393	0	39	-1.0	-46.16	330.73	1.73	-44.43
CCON(CC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663393	1	39	-1.0	-46.18	330.79	1.74	-44.44
COC1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663395	0	30	-1.0	-51.12	264.96	-1.34	-52.46
COC1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663395	1	30	-1.0	-51.12	265.02	-1.32	-52.44
COC1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004663396	0	30	-1.0	-36.83	275.52	-1.54	-38.37
COC1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004663396	1	30	-1.0	-36.79	275.59	-1.53	-38.32
O=C(CCCC1=N[N-]N=N1)N1CCCC(F)(F)CC1	REAL250004663397	0	35	-1.0	-51.26	279.34	4.53	-46.73
O=C(CCCC1=NN=N[N-]1)N1CCCC(F)(F)CC1	REAL250004663397	1	35	-1.0	-51.25	279.40	4.55	-46.70
O=C(CCCC1=NN=N[N-]1)NC1=CN(CCF)N=C1	REAL250004663398	0	32	-1.0	-52.03	283.41	2.10	-49.93
O=C(CCCC1=N[N-]N=N1)NC1=CN(CCF)N=C1	REAL250004663398	1	32	-1.0	-51.98	283.35	2.10	-49.88
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663399	0	39	-1.0	-59.61	313.41	3.76	-55.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663399	1	39	-1.0	-59.62	313.45	3.77	-55.85
CN(CC1=CN(C)N=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004663400	0	34	-1.0	-62.38	293.72	2.09	-60.29
CN(CC1=CN(C)N=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004663400	1	34	-1.0	-62.39	293.78	2.10	-60.29
CN(CC1=CN(C)N=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663401	0	34	-1.0	-47.86	301.68	2.50	-45.36
CN(CC1=CN(C)N=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663401	1	34	-1.0	-47.78	301.75	2.52	-45.26
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663402	0	41	-1.0	-45.15	310.77	5.46	-39.69
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663402	1	41	-1.0	-45.19	310.83	5.47	-39.72
COC(=O)N(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663403	0	36	-1.0	-53.89	310.44	0.81	-53.08
COC(=O)N(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663403	1	36	-1.0	-53.91	310.50	0.82	-53.09
O=C(NCC1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663404	0	33	-1.0	-34.99	287.23	2.81	-32.18
O=C(NCC1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663404	1	33	-1.0	-34.98	287.30	2.82	-32.16
NC(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663405	0	33	-1.0	-56.52	282.49	-1.48	-58.00
NC(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663405	1	33	-1.0	-56.59	282.55	-1.47	-58.06
NC(=O)[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663406	0	33	-1.0	-42.67	293.10	-1.69	-44.36
NC(=O)[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663406	1	33	-1.0	-42.63	293.16	-1.68	-44.31
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2CC21	REAL250004663407	0	39	-1.0	-46.37	308.61	4.45	-41.92
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2CC21	REAL250004663407	1	39	-1.0	-46.37	308.67	4.46	-41.91
O=C(NCC1CCCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663408	0	39	-1.0	-34.66	319.22	4.26	-30.40
O=C(NCC1CCCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663408	1	39	-1.0	-34.63	319.29	4.26	-30.37
C=CCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663409	0	36	-1.0	-46.86	309.10	1.84	-45.02
C=CCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663409	1	36	-1.0	-46.83	309.16	1.85	-44.98
C=CCOCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663410	0	36	-1.0	-36.16	319.70	1.63	-34.53
C=CCOCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663410	1	36	-1.0	-36.10	319.76	1.64	-34.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2COCCC2=C1	REAL250004663411	0	37	-1.0	-48.73	307.01	3.45	-45.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2COCCC2=C1	REAL250004663411	1	37	-1.0	-48.76	307.07	3.46	-45.30
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCC=CC2=C1	REAL250004663412	0	40	-1.0	-48.19	324.15	6.38	-41.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCC=CC2=C1	REAL250004663412	1	40	-1.0	-48.22	324.21	6.39	-41.83
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004663413	0	36	-1.0	-52.49	320.15	-0.31	-52.80
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004663413	1	36	-1.0	-52.50	320.21	-0.29	-52.79
CCC(C)(C)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663414	0	42	-1.0	-46.84	334.38	3.84	-43.00
CCC(C)(C)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663414	1	42	-1.0	-46.86	334.44	3.85	-43.01
CN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004663415	0	36	-1.0	-58.13	295.74	1.32	-56.81
CN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004663415	1	36	-1.0	-58.15	295.80	1.34	-56.81
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCO2	REAL250004663416	0	34	-1.0	-47.33	283.25	2.11	-45.22
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCO2	REAL250004663416	1	34	-1.0	-47.35	283.31	2.12	-45.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CCCO2	REAL250004663417	0	34	-1.0	-39.92	291.54	2.09	-37.83
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CCCO2	REAL250004663417	1	34	-1.0	-39.89	291.60	2.10	-37.79
COC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663418	0	34	-1.0	-48.04	285.77	3.22	-44.82
COC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663418	1	34	-1.0	-48.05	285.83	3.23	-44.82
COC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663419	0	34	-1.0	-38.26	293.86	3.63	-34.63
COC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663419	1	34	-1.0	-38.22	293.93	3.64	-34.58
O=C(CCCC1=NN=N[N-]1)NCCC1=CON=C1	REAL250004663420	0	31	-1.0	-51.28	275.62	1.67	-49.61
O=C(CCCC1=N[N-]N=N1)NCCC1=CON=C1	REAL250004663420	1	31	-1.0	-51.29	275.56	1.65	-49.64
O=C(NCCC1=CON=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663421	0	31	-1.0	-38.83	286.23	1.46	-37.37
O=C(NCCC1=CON=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663421	1	31	-1.0	-38.87	286.16	1.45	-37.42
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NS1	REAL250004663422	0	28	-1.0	-46.70	263.89	1.29	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NS1	REAL250004663422	1	28	-1.0	-46.69	263.94	1.31	-45.38
O=C(NCC1=CC=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663423	0	28	-1.0	-36.68	274.48	1.09	-35.59
O=C(NCC1=CC=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663423	1	28	-1.0	-36.69	274.55	1.09	-35.60
COCC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663424	0	36	-1.0	-47.01	324.61	2.30	-44.71
COCC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663424	1	36	-1.0	-47.03	324.67	2.31	-44.72
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004663425	0	35	-1.0	-35.32	301.41	3.50	-31.82
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004663425	1	35	-1.0	-35.29	301.48	3.52	-31.77
CC1=CN=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663426	0	36	-1.0	-51.76	311.99	1.16	-50.60
CC1=CN=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663426	1	36	-1.0	-51.78	312.05	1.17	-50.61
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@@H]1C1=CC=CC=C1	REAL250004663427	0	39	-1.0	-49.21	316.92	5.98	-43.23
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@@H]1C1=CC=CC=C1	REAL250004663427	1	39	-1.0	-49.21	316.98	5.99	-43.22
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004663428	0	39	-1.0	-48.22	315.21	3.79	-44.43
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004663428	1	39	-1.0	-48.18	315.27	3.81	-44.37
CCC1COCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004663429	0	36	-1.0	-46.17	294.59	1.33	-44.84
CCC1COCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004663429	1	36	-1.0	-46.18	294.64	1.34	-44.84
CCC1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663430	0	36	-1.0	-35.08	301.00	1.50	-33.58
CCC1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663430	1	36	-1.0	-35.03	301.07	1.50	-33.53
O=C(CCCC1=N[N-]N=N1)N1CCSC2CCC21	REAL250004663431	0	34	-1.0	-46.51	280.84	4.53	-41.98
O=C(CCCC1=NN=N[N-]1)N1CCSC2CCC21	REAL250004663431	1	34	-1.0	-46.51	280.89	4.55	-41.96
CC1=CC=C(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL250004663432	0	42	-1.0	-48.80	350.62	7.24	-41.56
CC1=CC=C(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL250004663432	1	42	-1.0	-48.78	350.68	7.25	-41.53
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2(F)F)CC1	REAL250004663433	0	39	-1.0	-47.75	320.32	5.05	-42.70
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2(F)F)CC1	REAL250004663433	1	39	-1.0	-47.77	320.37	5.06	-42.71
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1OC	REAL250004663434	0	36	-1.0	-49.61	309.86	0.01	-49.60
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1OC	REAL250004663434	1	36	-1.0	-49.64	309.81	0.00	-49.64
O=C(CCCC1=N[N-]N=N1)NC1=C2NC=CC2=CC=N1	REAL250004663435	0	32	-1.0	-55.95	280.60	3.09	-52.86
O=C(CCCC1=NN=N[N-]1)NC1=C2NC=CC2=CC=N1	REAL250004663435	1	32	-1.0	-56.00	280.66	3.10	-52.90
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)S2	REAL250004663438	0	37	-1.0	-51.55	288.92	5.26	-46.29
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)S2	REAL250004663438	1	37	-1.0	-51.60	288.97	5.28	-46.32
CS(=O)(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663439	0	34	-1.0	-54.72	305.86	-1.89	-56.61
CS(=O)(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663439	1	34	-1.0	-54.75	305.92	-1.87	-56.62
CN1N=CC(C2CC2)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663440	0	39	-1.0	-46.38	329.80	3.10	-43.28
CN1N=CC(C2CC2)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663440	1	39	-1.0	-46.39	329.85	3.12	-43.27
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004663441	0	39	-1.0	-46.73	308.57	2.05	-44.68
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004663441	1	39	-1.0	-46.70	308.63	2.07	-44.63
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004663442	0	32	-1.0	-46.85	284.03	2.71	-44.14
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004663442	1	32	-1.0	-46.84	284.09	2.73	-44.11
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL250004663443	0	32	-1.0	-37.51	294.40	2.50	-35.01
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL250004663443	1	32	-1.0	-37.45	294.46	2.50	-34.95
CC(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663444	0	36	-1.0	-50.80	285.66	1.63	-49.17
CC(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663444	1	36	-1.0	-50.84	285.71	1.65	-49.19
CC(O)[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663445	0	36	-1.0	-38.40	293.51	1.89	-36.51
CC(O)[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663445	1	36	-1.0	-38.33	293.58	1.89	-36.44
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663446	0	36	-1.0	-46.28	282.47	0.86	-45.42
C[C@@H]1CC[C@@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663446	1	36	-1.0	-46.24	282.53	0.87	-45.37
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663447	0	36	-1.0	-35.31	290.73	1.04	-34.27
C[C@@H]1CC[C@@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663447	1	36	-1.0	-35.28	290.80	1.05	-34.23
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C(N)=O)O1	REAL250004663448	0	37	-1.0	-52.84	307.09	-0.15	-52.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C(N)=O)O1	REAL250004663448	1	37	-1.0	-52.82	307.15	-0.13	-52.95
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004663449	0	39	-1.0	-48.22	315.21	3.79	-44.43
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004663449	1	39	-1.0	-48.18	315.27	3.81	-44.37
O=C(CCCC1=N[N-]N=N1)NCCCC1CCC1	REAL250004663450	0	38	-1.0	-46.39	310.40	4.09	-42.30
O=C(CCCC1=NN=N[N-]1)NCCCC1CCC1	REAL250004663450	1	38	-1.0	-46.42	310.46	4.10	-42.32
O=C(NCCCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663451	0	38	-1.0	-34.85	320.99	3.89	-30.96
O=C(NCCCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663451	1	38	-1.0	-34.82	321.06	3.89	-30.93
CC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004663452	0	35	-1.0	-47.21	301.07	3.29	-43.92
CC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004663452	1	35	-1.0	-47.24	301.12	3.30	-43.94
COC(=O)C1=C(CNC(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004663453	0	35	-1.0	-52.12	313.21	2.12	-50.00
COC(=O)C1=C(CNC(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004663453	1	35	-1.0	-52.12	313.27	2.13	-49.99
NC(=O)C1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663454	0	32	-1.0	-49.13	301.42	-2.69	-51.82
NC(=O)C1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663454	1	32	-1.0	-49.15	301.47	-2.67	-51.82
O=C(CCCC1=N[N-]N=N1)NN1CCS(=O)(=O)CC1	REAL250004663456	0	34	-1.0	-53.77	296.98	-1.47	-55.24
O=C(CCCC1=NN=N[N-]1)NN1CCS(=O)(=O)CC1	REAL250004663456	1	34	-1.0	-53.77	297.04	-1.45	-55.22
COC(=O)C1(OC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663457	0	39	-1.0	-51.59	322.36	2.62	-48.97
COC(=O)C1(OC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663457	1	39	-1.0	-51.57	322.41	2.64	-48.93
CN(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004663458	0	33	-1.0	-50.60	286.82	3.48	-47.12
CN(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004663458	1	33	-1.0	-50.61	286.88	3.49	-47.12
CN(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL250004663459	0	33	-1.0	-40.38	297.42	3.26	-37.12
CN(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL250004663459	1	33	-1.0	-40.32	297.49	3.26	-37.06
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H]2CCC[C@@H]21	REAL250004663460	0	37	-1.0	-47.38	289.80	3.00	-44.38
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H]2CCC[C@@H]21	REAL250004663460	1	37	-1.0	-47.38	289.85	3.01	-44.37
COC(=O)N(C)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663461	0	39	-1.0	-59.92	328.54	2.94	-56.98
COC(=O)N(C)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663461	1	39	-1.0	-59.93	328.60	2.95	-56.98
O=C(CCCC1=N[N-]N=N1)NC1CCC2=CC=C(O)C=C21	REAL250004663462	0	37	-1.0	-52.50	313.06	1.87	-50.63
O=C(CCCC1=NN=N[N-]1)NC1CCC2=CC=C(O)C=C21	REAL250004663462	1	37	-1.0	-52.51	313.11	1.88	-50.63
CC1=CC=C(O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663463	0	36	-1.0	-48.72	310.55	1.31	-47.41
CC1=CC=C(O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663463	1	36	-1.0	-48.73	310.61	1.33	-47.40
CN(CC1(C)COC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663464	0	36	-1.0	-48.07	290.35	2.45	-45.62
CN(CC1(C)COC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663464	1	36	-1.0	-48.12	290.41	2.47	-45.65
CN(CC1(C)COC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663465	0	36	-1.0	-36.86	296.55	2.79	-34.07
CN(CC1(C)COC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663465	1	36	-1.0	-36.88	296.63	2.79	-34.09
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCC2)C1	REAL250004663466	0	42	-1.0	-47.18	324.70	6.19	-40.99
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCC2)C1	REAL250004663466	1	42	-1.0	-47.19	324.76	6.21	-40.98
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=C2)CC1	REAL250004663467	0	38	-1.0	-50.16	310.87	4.40	-45.76
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=C2)CC1	REAL250004663467	1	38	-1.0	-50.20	310.93	4.42	-45.78
CC1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004663468	0	39	-1.0	-48.44	299.79	5.27	-43.17
CC1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004663468	1	39	-1.0	-48.44	299.85	5.28	-43.16
CC1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663469	0	39	-1.0	-37.19	306.78	5.51	-31.68
CC1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663469	1	39	-1.0	-37.16	306.84	5.52	-31.64
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)CO	REAL250004663470	0	39	-1.0	-51.21	307.17	1.12	-50.09
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)CO	REAL250004663470	1	39	-1.0	-51.23	307.23	1.14	-50.09
CCOC(=O)C12CC(C1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004663471	0	39	-1.0	-51.82	322.00	5.85	-45.97
CCOC(=O)C12CC(C1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004663471	1	39	-1.0	-51.82	322.06	5.87	-45.95
CCC(C)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663472	0	41	-1.0	-48.81	331.91	5.93	-42.88
CCC(C)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663472	1	41	-1.0	-48.84	331.97	5.94	-42.90
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC1(CC1)C2	REAL250004663473	0	40	-1.0	-48.13	307.60	5.83	-42.30
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC1(CC1)C2	REAL250004663473	1	40	-1.0	-48.14	307.65	5.85	-42.29
COCC1CCCN1NC(=O)CCCC1=N[N-]N=N1	REAL250004663474	0	38	-1.0	-49.31	312.34	1.53	-47.78
COCC1CCCN1NC(=O)CCCC1=NN=N[N-]1	REAL250004663474	1	38	-1.0	-49.30	312.40	1.55	-47.75
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=C(O)C=C2C1	REAL250004663475	0	34	-1.0	-49.06	292.92	2.16	-46.90
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C(O)C=C2C1	REAL250004663475	1	34	-1.0	-49.11	292.98	2.17	-46.94
CCN1N=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663476	0	35	-1.0	-46.35	300.73	1.94	-44.41
CCN1N=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663476	1	35	-1.0	-46.35	300.78	1.96	-44.39
CCN1N=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663477	0	35	-1.0	-36.92	311.32	1.75	-35.17
CCN1N=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663477	1	35	-1.0	-36.92	311.39	1.76	-35.16
COC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663478	0	32	-1.0	-46.85	287.01	-0.94	-47.79
COC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663478	1	32	-1.0	-46.82	287.07	-0.93	-47.75
O=C(CCCC1=N[N-]N=N1)NC1CCCC12OCCO2	REAL250004663479	0	38	-1.0	-48.07	308.73	1.68	-46.39
O=C(CCCC1=NN=N[N-]1)NC1CCCC12OCCO2	REAL250004663479	1	38	-1.0	-48.08	308.79	1.70	-46.38
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NC=CC=N1	REAL250004663480	0	37	-1.0	-53.36	311.83	3.64	-49.72
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NC=CC=N1	REAL250004663480	1	37	-1.0	-53.37	311.88	3.65	-49.72
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C=N1	REAL250004663481	0	30	-1.0	-45.46	283.97	2.76	-42.70
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C=N1	REAL250004663481	1	30	-1.0	-45.45	284.02	2.77	-42.68
O=C(NCC1=CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663482	0	33	-1.0	-34.76	288.77	2.93	-31.83
O=C(NCC1=CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663482	1	33	-1.0	-34.74	288.83	2.93	-31.81
O=C(CCCC1=N[N-]N=N1)NC1CCC(C2CCC2)CC1	REAL250004663483	0	45	-1.0	-47.01	349.05	5.75	-41.26
O=C(CCCC1=NN=N[N-]1)NC1CCC(C2CCC2)CC1	REAL250004663483	1	45	-1.0	-47.05	349.11	5.76	-41.29
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663484	0	42	-1.0	-50.29	336.50	3.01	-47.28
CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663484	1	42	-1.0	-50.30	336.55	3.02	-47.28
CSC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004663485	0	32	-1.0	-47.00	291.71	2.78	-44.22
CSC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004663485	1	32	-1.0	-46.99	291.65	2.77	-44.22
C=C(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663486	0	32	-1.0	-35.51	279.38	4.21	-31.30
C=C(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663486	1	32	-1.0	-35.51	279.45	4.23	-31.28
O=C(NOCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663487	0	33	-1.0	-36.17	291.38	3.47	-32.70
O=C(NOCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663487	1	33	-1.0	-36.13	291.44	3.48	-32.65
O=C(NC1CC(CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663488	0	33	-1.0	-38.04	288.80	-0.98	-39.02
O=C(NC1CC(CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663488	1	33	-1.0	-38.03	288.87	-0.98	-39.01
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NN=CN2)CC1	REAL250004663489	0	38	-1.0	-54.28	310.15	4.57	-49.71
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NN=CN2)CC1	REAL250004663489	1	38	-1.0	-54.28	310.21	4.58	-49.70
COC1=CC=CC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663490	0	38	-1.0	-52.80	326.98	0.99	-51.81
COC1=CC=CC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663490	1	38	-1.0	-52.85	327.04	1.00	-51.85
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H]1C1=NNC=N1	REAL250004663491	0	35	-1.0	-55.10	296.80	3.29	-51.81
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1C1=NNC=N1	REAL250004663491	1	35	-1.0	-55.10	296.86	3.30	-51.80
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC=CN1	REAL250004663492	0	38	-1.0	-48.98	305.05	2.85	-46.13
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC=CN1	REAL250004663492	1	38	-1.0	-49.04	305.10	2.87	-46.17
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(F)(F)C2	REAL250004663493	0	36	-1.0	-46.66	287.23	4.75	-41.91
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(F)(F)C2	REAL250004663493	1	36	-1.0	-46.68	287.29	4.76	-41.92
CC1=CNC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C12	REAL250004663494	0	36	-1.0	-50.27	306.42	4.08	-46.19
CC1=CNC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C12	REAL250004663494	1	36	-1.0	-50.22	306.48	4.09	-46.13
CC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004663496	0	28	-1.0	-43.95	257.26	1.69	-42.26
CC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004663496	1	28	-1.0	-43.95	257.32	1.70	-42.25
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL250004663497	0	28	-1.0	-34.07	267.85	1.47	-32.60
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL250004663497	1	28	-1.0	-34.07	267.92	1.49	-32.58
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CC1	REAL250004663499	1	38	-1.0	-46.41	306.59	0.51	-45.90
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CC1	REAL250004663499	1	38	-1.0	-46.41	306.65	0.53	-45.88
O=C(CCCC1=N[N-]N=N1)NCC1CCN1C1CC1	REAL250004663499	1	38	-1.0	-46.41	306.59	0.51	-45.90
O=C(CCCC1=NN=N[N-]1)NCC1CCN1C1CC1	REAL250004663499	1	38	-1.0	-46.41	306.65	0.53	-45.88
C#CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663501	0	35	-1.0	-48.43	290.55	1.18	-47.25
C#CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663501	1	35	-1.0	-48.43	290.61	1.19	-47.24
C#CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004663502	0	35	-1.0	-36.22	298.27	1.44	-34.78
C#CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004663502	1	35	-1.0	-36.15	298.33	1.44	-34.71
CC1(C(F)F)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004663503	0	36	-1.0	-48.97	295.80	2.95	-46.02
CC1(C(F)F)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004663503	1	36	-1.0	-48.95	295.85	2.96	-45.99
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004663504	0	38	-1.0	-48.70	313.86	2.48	-46.22
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004663504	1	38	-1.0	-48.71	313.92	2.50	-46.21
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004663505	0	38	-1.0	-46.04	295.04	4.44	-41.60
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004663505	1	38	-1.0	-45.99	295.10	4.46	-41.53
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004663506	0	38	-1.0	-34.96	305.63	4.26	-30.70
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004663506	1	38	-1.0	-34.94	305.70	4.26	-30.68
O=C(CCCC1=N[N-]N=N1)N1CC2CC(O)C2C1	REAL250004663507	0	34	-1.0	-47.44	278.90	0.67	-46.77
O=C(CCCC1=NN=N[N-]1)N1CC2CC(O)C2C1	REAL250004663507	1	34	-1.0	-47.47	278.95	0.68	-46.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC(O)C2C1	REAL250004663508	0	34	-1.0	-36.57	285.86	0.91	-35.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC(O)C2C1	REAL250004663508	1	34	-1.0	-36.53	285.93	0.91	-35.62
CC1(C)OCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663509	0	39	-1.0	-48.01	310.37	1.74	-46.27
CC1(C)OCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663509	1	39	-1.0	-47.99	310.42	1.76	-46.23
O=C(CCCC1=N[N-]N=N1)NNC1=CC=CC(F)=C1Cl	REAL250004663510	0	31	-1.0	-50.27	290.14	3.59	-46.68
O=C(CCCC1=NN=N[N-]1)NNC1=CC=CC(F)=C1Cl	REAL250004663510	1	31	-1.0	-50.29	290.20	3.60	-46.69
CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663513	0	33	-1.0	-47.20	288.81	2.88	-44.32
CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663513	1	33	-1.0	-47.25	288.86	2.89	-44.36
CC1=CC=CC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004663514	0	33	-1.0	-37.99	299.40	2.66	-35.33
CC1=CC=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004663514	1	33	-1.0	-38.01	299.47	2.66	-35.35
CC1=NN=C(NNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004663515	0	33	-1.0	-50.91	289.38	4.35	-46.56
CC1=NN=C(NNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004663515	1	33	-1.0	-50.93	289.44	4.37	-46.56
COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004663516	0	39	-1.0	-47.25	324.56	3.36	-43.89
COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004663516	1	39	-1.0	-47.23	324.62	3.37	-43.86
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250004663517	0	42	-1.0	-48.00	309.77	5.81	-42.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250004663517	1	42	-1.0	-47.98	309.82	5.83	-42.15
CC1=CC=CC=C1CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663518	0	42	-1.0	-48.62	345.31	6.96	-41.66
CC1=CC=CC=C1CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663518	1	42	-1.0	-48.64	345.37	6.98	-41.66
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663519	0	33	-1.0	-36.83	289.36	0.71	-36.12
CO[C@@]1(C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663519	1	33	-1.0	-36.86	289.42	0.71	-36.15
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663520	0	35	-1.0	-35.01	296.93	2.79	-32.22
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663520	1	35	-1.0	-34.96	297.00	2.80	-32.16
CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663521	0	40	-1.0	-46.36	326.67	4.35	-42.01
CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663521	1	40	-1.0	-46.34	326.72	4.36	-41.98
CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663522	0	40	-1.0	-34.80	337.26	4.14	-30.66
CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663522	1	40	-1.0	-34.77	337.33	4.15	-30.62
COC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663523	0	36	-1.0	-48.26	314.26	2.78	-45.48
COC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663523	1	36	-1.0	-48.28	314.31	2.80	-45.48
O=C(CCCC1=N[N-]N=N1)NCCC1CC1(F)F	REAL250004663524	0	32	-1.0	-49.64	284.33	2.94	-46.70
O=C(CCCC1=NN=N[N-]1)NCCC1CC1(F)F	REAL250004663524	1	32	-1.0	-49.68	284.39	2.95	-46.73
O=C(NCCC1CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663525	0	32	-1.0	-37.87	294.92	2.74	-35.13
O=C(NCCC1CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663525	1	32	-1.0	-37.89	294.99	2.74	-35.15
CC1(C)CC1(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663526	0	35	-1.0	-35.90	296.86	2.92	-32.98
CC1(C)CC1(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663526	1	35	-1.0	-35.87	296.93	2.92	-32.95
O=C(CCCC1=N[N-]N=N1)N1CCC2(COC2)C1	REAL250004663527	0	34	-1.0	-47.84	280.59	1.84	-46.00
O=C(CCCC1=NN=N[N-]1)N1CCC2(COC2)C1	REAL250004663527	1	34	-1.0	-47.84	280.65	1.85	-45.99
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(COC2)C1	REAL250004663528	0	34	-1.0	-37.43	287.57	2.11	-35.32
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(COC2)C1	REAL250004663528	1	34	-1.0	-37.38	287.64	2.12	-35.26
CC1(C#N)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663529	0	33	-1.0	-42.30	290.28	3.77	-38.53
CC1(C#N)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663529	1	33	-1.0	-42.25	290.35	3.78	-38.47
C=C1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004663530	0	37	-1.0	-47.67	294.80	5.19	-42.48
C=C1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004663530	1	37	-1.0	-47.66	294.86	5.21	-42.45
C=C1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663531	0	37	-1.0	-36.33	301.66	5.40	-30.93
C=C1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663531	1	37	-1.0	-36.30	301.72	5.42	-30.88
CCCCCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663532	0	47	-1.0	-46.37	354.38	7.18	-39.19
CCCCCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663532	1	47	-1.0	-46.36	354.44	7.19	-39.17
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1CCC1	REAL250004663533	0	45	-1.0	-46.46	337.44	6.92	-39.54
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1CCC1	REAL250004663533	1	45	-1.0	-46.44	337.50	6.93	-39.51
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663534	0	39	-1.0	-47.64	321.31	6.05	-41.59
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663534	1	39	-1.0	-47.71	321.37	6.06	-41.65
CCN1N=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663535	0	34	-1.0	-47.77	295.14	0.70	-47.07
CCN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663535	1	34	-1.0	-47.77	295.20	0.72	-47.05
CCN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663536	0	34	-1.0	-38.86	305.73	0.50	-38.36
CCN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663536	1	34	-1.0	-38.85	305.80	0.50	-38.35
CC1(C)CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663537	0	44	-1.0	-46.50	338.81	4.75	-41.75
CC1(C)CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663537	1	44	-1.0	-46.48	338.87	4.76	-41.72
CC12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663538	0	33	-1.0	-37.76	277.27	3.99	-33.77
CC12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663538	1	33	-1.0	-37.77	277.34	3.99	-33.78
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC2C1	REAL250004663539	0	33	-1.0	-34.86	273.21	4.50	-30.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC2C1	REAL250004663539	1	33	-1.0	-34.81	273.28	4.50	-30.31
CCN(CC1=CN(CC)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004663540	0	41	-1.0	-47.84	341.55	5.19	-42.65
CCN(CC1=CN(CC)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004663540	1	41	-1.0	-47.81	341.49	5.18	-42.63
O=C(CCCC1=N[N-]N=N1)NNC1=NC=C(Cl)C=N1	REAL250004663543	0	29	-1.0	-46.67	278.80	3.19	-43.48
O=C(CCCC1=NN=N[N-]1)NNC1=NC=C(Cl)C=N1	REAL250004663543	1	29	-1.0	-46.71	278.86	3.20	-43.51
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CO	REAL250004663544	0	39	-1.0	-51.29	299.42	1.13	-50.16
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CO	REAL250004663544	1	39	-1.0	-51.31	299.48	1.14	-50.17
CC1=NN=C(CN(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004663545	0	33	-1.0	-47.00	298.10	2.39	-44.61
CC1=NN=C(CN(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004663545	1	33	-1.0	-47.00	298.16	2.41	-44.59
CN(CC1=CCSC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663546	0	34	-1.0	-50.68	294.31	4.90	-45.78
CN(CC1=CCSC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663546	1	34	-1.0	-50.70	294.37	4.92	-45.78
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(C)=C1	REAL250004663547	0	38	-1.0	-46.12	321.90	4.80	-41.32
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(C)=C1	REAL250004663547	1	38	-1.0	-46.14	321.96	4.82	-41.32
CCSC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663548	0	36	-1.0	-45.90	314.79	3.93	-41.97
CCSC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663548	1	36	-1.0	-45.90	314.85	3.94	-41.96
CC1=CC=CC(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004663549	0	42	-1.0	-48.84	350.57	7.15	-41.69
CC1=CC=CC(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004663549	1	42	-1.0	-48.88	350.62	7.16	-41.72
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2)C=C1	REAL250004663550	0	36	-1.0	-49.48	311.13	5.51	-43.97
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2)C=C1	REAL250004663550	1	36	-1.0	-49.48	311.07	5.50	-43.98
CC(C)(C)N1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663551	0	38	-1.0	-49.28	307.21	4.26	-45.02
CC(C)(C)N1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663551	1	38	-1.0	-49.27	307.15	4.24	-45.03
O=C(CCCC1=N[N-]N=N1)NCCC1CC1(Cl)Cl	REAL250004663553	0	32	-1.0	-48.45	303.73	3.81	-44.64
O=C(CCCC1=NN=N[N-]1)NCCC1CC1(Cl)Cl	REAL250004663553	1	32	-1.0	-48.47	303.78	3.82	-44.65
O=C(CCCC1=N[N-]N=N1)NCC1CCC2CC2C1	REAL250004663554	0	39	-1.0	-46.03	308.76	4.55	-41.48
O=C(CCCC1=NN=N[N-]1)NCC1CCC2CC2C1	REAL250004663554	1	39	-1.0	-46.05	308.82	4.57	-41.48
O=C(NCC1CCC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663555	0	39	-1.0	-34.69	319.31	4.35	-30.34
O=C(NCC1CCC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663555	1	39	-1.0	-34.67	319.38	4.35	-30.32
CCN1N=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663556	0	34	-1.0	-48.29	297.76	0.50	-47.79
CCN1N=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663556	1	34	-1.0	-48.31	297.82	0.52	-47.79
CCN1N=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004663557	0	34	-1.0	-38.46	308.35	0.29	-38.17
CCN1N=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004663557	1	34	-1.0	-38.48	308.42	0.30	-38.18
COCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663558	0	42	-1.0	-48.44	329.56	3.93	-44.51
COCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663558	1	42	-1.0	-48.44	329.62	3.94	-44.50
COC(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663559	0	35	-1.0	-49.54	300.76	2.58	-46.96
COC(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663559	1	35	-1.0	-49.54	300.82	2.60	-46.94
C[C@H](O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663560	0	32	-1.0	-36.93	283.07	-1.49	-38.42
C[C@H](O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663560	1	32	-1.0	-36.91	283.14	-1.48	-38.39
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004663561	0	37	-1.0	-45.99	304.73	3.57	-42.42
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004663561	1	37	-1.0	-46.02	304.79	3.59	-42.43
CC1(C)C(CNC(=O)CCCC2=N[N-]N=N2)C1(F)F	REAL250004663562	0	35	-1.0	-47.91	299.72	3.20	-44.71
CC1(C)C(CNC(=O)CCCC2=NN=N[N-]2)C1(F)F	REAL250004663562	1	35	-1.0	-47.88	299.78	3.22	-44.66
O=C(CCCC1=N[N-]N=N1)N1CCC2COCC2C1	REAL250004663563	0	37	-1.0	-47.64	291.06	2.71	-44.93
O=C(CCCC1=NN=N[N-]1)N1CCC2COCC2C1	REAL250004663563	1	37	-1.0	-47.65	291.12	2.73	-44.92
N#CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663564	0	30	-1.0	-39.75	269.65	3.38	-36.37
N#CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663564	1	30	-1.0	-39.73	269.71	3.38	-36.35
O=C(CCCC1=N[N-]N=N1)N(CCC1CC1)CC1CC1	REAL250004663565	0	42	-1.0	-46.83	343.72	7.44	-39.39
O=C(CCCC1=NN=N[N-]1)N(CCC1CC1)CC1CC1	REAL250004663565	1	42	-1.0	-46.82	343.78	7.45	-39.37
CC(C)C[C@H]1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663566	0	42	-1.0	-46.14	320.03	3.72	-42.42
CC(C)C[C@H]1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663566	1	42	-1.0	-46.16	320.09	3.74	-42.42
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CC2)CC1	REAL250004663567	0	40	-1.0	-46.66	310.35	2.88	-43.78
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CC2)CC1	REAL250004663567	1	40	-1.0	-46.69	310.41	2.89	-43.80
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663568	0	35	-1.0	-34.84	298.99	2.97	-31.87
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663568	1	35	-1.0	-34.83	299.06	2.97	-31.86
C=CCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663569	0	38	-1.0	-45.90	301.53	3.60	-42.30
C=CCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663569	1	38	-1.0	-45.93	301.59	3.62	-42.31
CC1(C)CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663570	0	45	-1.0	-47.16	341.08	1.87	-45.29
CC1(C)CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663570	1	45	-1.0	-47.18	341.14	1.88	-45.30
O=C(CCCC1=N[N-]N=N1)NCC1CCC(O)CC1	REAL250004663571	0	39	-1.0	-47.62	312.25	0.54	-47.08
O=C(CCCC1=NN=N[N-]1)NCC1CCC(O)CC1	REAL250004663571	1	39	-1.0	-47.64	312.30	0.56	-47.08
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004663573	0	38	-1.0	-54.63	321.08	3.94	-50.69
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004663573	1	38	-1.0	-54.66	321.14	3.96	-50.70
CC1=CN2C=CC(NC(=O)CCCC3=N[N-]N=N3)=CC2=N1	REAL250004663574	0	35	-1.0	-50.90	304.28	4.53	-46.37
CC1=CN2C=CC(NC(=O)CCCC3=NN=N[N-]3)=CC2=N1	REAL250004663574	1	35	-1.0	-50.90	304.34	4.55	-46.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1COCC2	REAL250004663575	0	37	-1.0	-49.05	304.48	3.67	-45.38
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1COCC2	REAL250004663575	1	37	-1.0	-49.06	304.54	3.69	-45.37
C=CC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663576	0	38	-1.0	-46.29	304.56	3.30	-42.99
C=CC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663576	1	38	-1.0	-46.31	304.62	3.31	-43.00
C=CC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663577	0	38	-1.0	-34.83	315.16	3.09	-31.74
C=CC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663577	1	38	-1.0	-34.77	315.22	3.10	-31.67
O=C(CCCC1=N[N-]N=N1)NCC(C1CCC1)C1CCC1	REAL250004663578	0	45	-1.0	-45.87	346.82	5.90	-39.97
O=C(CCCC1=NN=N[N-]1)NCC(C1CCC1)C1CCC1	REAL250004663578	1	45	-1.0	-45.88	346.88	5.91	-39.97
C#CCCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004663579	0	37	-1.0	-49.56	316.04	3.96	-45.60
C#CCCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004663579	1	37	-1.0	-49.57	316.10	3.98	-45.59
C=CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663581	0	33	-1.0	-36.99	298.12	0.89	-36.10
C=CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663581	1	33	-1.0	-36.97	298.19	0.90	-36.07
CC1=CC=CC2=C1CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL250004663582	0	42	-1.0	-49.49	329.32	5.71	-43.78
CC1=CC=CC2=C1CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL250004663582	1	42	-1.0	-49.49	329.38	5.72	-43.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CC2CC2)C1	REAL250004663583	0	36	-1.0	-36.86	308.90	4.95	-31.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CC2CC2)C1	REAL250004663583	1	36	-1.0	-36.86	308.96	4.96	-31.90
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CSC=C2)C1	REAL250004663584	0	36	-1.0	-48.77	319.14	5.39	-43.38
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CSC=C2)C1	REAL250004663584	1	36	-1.0	-48.74	319.20	5.41	-43.33
C[C@@H]1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663585	0	36	-1.0	-47.31	300.24	5.72	-41.59
C[C@@H]1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663585	1	36	-1.0	-47.30	300.29	5.73	-41.57
O=C(CCCC1=N[N-]N=N1)NNC1=CC=[NH+]C2=CC=CC=C12	REAL250004663586	0	36	-1.0	-49.33	308.00	3.41	-45.92
O=C(CCCC1=NN=N[N-]1)NNC1=CC=[NH+]C2=CC=CC=C12	REAL250004663586	1	36	-1.0	-49.35	308.05	3.42	-45.93
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC2=CC=CC=C21	REAL250004663586	1	36	-1.0	-49.33	308.00	3.41	-45.92
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC2=CC=CC=C21	REAL250004663586	1	36	-1.0	-49.35	308.05	3.42	-45.93
CC1COC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663587	0	43	-1.0	-45.05	322.58	4.38	-40.67
CC1COC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663587	1	43	-1.0	-45.05	322.64	4.40	-40.65
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004663588	0	42	-1.0	-46.94	330.12	3.03	-43.91
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004663588	1	42	-1.0	-46.93	330.18	3.05	-43.88
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=COC2=CC=C1	REAL250004663589	0	35	-1.0	-48.32	306.32	3.80	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=COC2=CC=C1	REAL250004663589	1	35	-1.0	-48.34	306.38	3.81	-44.53
COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663590	0	38	-1.0	-48.64	313.63	4.20	-44.44
COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663590	1	38	-1.0	-48.63	313.69	4.22	-44.41
CC(=O)N1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663591	0	36	-1.0	-56.44	300.59	1.18	-55.26
CC(=O)N1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663591	1	36	-1.0	-56.43	300.64	1.19	-55.24
CC(C1CC2=CC=CC=C21)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663592	0	42	-1.0	-49.82	338.59	7.23	-42.59
CC(C1CC2=CC=CC=C21)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663592	1	42	-1.0	-49.85	338.65	7.24	-42.61
O=C(CCCC1=N[N-]N=N1)N1CC2CC1(C1=CC=CC=C1)C2	REAL250004663593	0	40	-1.0	-49.37	328.41	6.82	-42.55
O=C(CCCC1=NN=N[N-]1)N1CC2CC1(C1=CC=CC=C1)C2	REAL250004663593	1	40	-1.0	-49.34	328.47	6.84	-42.50
COC(=O)NC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663594	0	40	-1.0	-49.17	327.58	1.39	-47.78
COC(=O)NC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663594	1	40	-1.0	-49.15	327.64	1.41	-47.74
COC(=O)N(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663595	0	36	-1.0	-53.89	310.44	0.81	-53.08
COC(=O)N(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663595	1	36	-1.0	-53.91	310.50	0.82	-53.09
O=C(CCCC1=N[N-]N=N1)NCCC1SCCS1	REAL250004663596	0	34	-1.0	-48.97	306.02	3.56	-45.41
O=C(CCCC1=NN=N[N-]1)NCCC1SCCS1	REAL250004663596	1	34	-1.0	-48.95	306.08	3.58	-45.37
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NS1	REAL250004663597	0	28	-1.0	-46.70	263.89	1.29	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NS1	REAL250004663597	1	28	-1.0	-46.69	263.94	1.31	-45.38
O=C(NCC1=CC=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663598	0	28	-1.0	-36.68	274.48	1.09	-35.59
O=C(NCC1=CC=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663598	1	28	-1.0	-36.69	274.55	1.09	-35.60
CCCC(CNC(=O)CCCC1=N[N-]N=N1)OCC	REAL250004663599	0	41	-1.0	-46.66	335.26	2.89	-43.77
CCCC(CNC(=O)CCCC1=NN=N[N-]1)OCC	REAL250004663599	1	41	-1.0	-46.67	335.31	2.91	-43.76
O=C(CCCC1=N[N-]N=N1)N1CC2C3COCC3C2C1	REAL250004663600	0	38	-1.0	-47.85	301.95	3.16	-44.69
O=C(CCCC1=NN=N[N-]1)N1CC2C3COCC3C2C1	REAL250004663600	1	38	-1.0	-47.86	302.01	3.18	-44.68
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](CO)[C@H](CO)C1	REAL250004663601	0	37	-1.0	-51.12	306.13	-2.66	-53.78
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](CO)[C@H](CO)C1	REAL250004663601	1	37	-1.0	-51.12	306.18	-2.64	-53.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H](O)[C@@H](O)C1	REAL250004663602	0	31	-1.0	-37.78	272.61	-3.73	-41.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H](O)[C@@H](O)C1	REAL250004663602	1	31	-1.0	-37.78	272.68	-3.72	-41.50
CC1=CN(C)N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663603	0	32	-1.0	-42.51	289.25	2.80	-39.71
CC1=CN(C)N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663603	1	32	-1.0	-42.50	289.18	2.79	-39.71
O=C(N[C@H]1CCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663604	0	30	-1.0	-44.85	270.84	-1.92	-46.77
O=C(N[C@H]1CCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663604	1	30	-1.0	-44.80	270.91	-1.92	-46.72
CC1(C)CC1(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004663605	0	42	-1.0	-47.88	345.96	5.98	-41.90
CC1(C)CC1(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004663605	1	42	-1.0	-47.89	346.02	5.99	-41.90
CN(CC1CC1(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004663606	0	38	-1.0	-47.78	308.96	5.26	-42.52
CN(CC1CC1(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004663606	1	38	-1.0	-47.79	309.02	5.28	-42.51
CN(CC1CC1(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663607	0	38	-1.0	-35.94	316.65	5.67	-30.27
CN(CC1CC1(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663607	1	38	-1.0	-35.93	316.72	5.69	-30.24
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=CO1	REAL250004663608	0	35	-1.0	-48.31	302.83	3.14	-45.17
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=CO1	REAL250004663608	1	35	-1.0	-48.33	302.89	3.16	-45.17
O=C(NCCCC1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663609	0	35	-1.0	-37.62	313.42	2.95	-34.67
O=C(NCCCC1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663609	1	35	-1.0	-37.59	313.49	2.95	-34.64
CC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004663610	0	44	-1.0	-46.37	336.02	4.98	-41.39
CC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004663610	1	44	-1.0	-46.37	336.08	4.99	-41.38
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004663611	0	45	-1.0	-46.72	349.33	3.64	-43.08
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004663611	1	45	-1.0	-46.74	349.38	3.65	-43.09
CC(C)C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004663612	0	37	-1.0	-47.49	326.85	2.49	-45.00
CC(C)C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004663612	1	37	-1.0	-47.50	326.91	2.50	-45.00
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCC(=O)N1	REAL250004663613	0	34	-1.0	-52.47	298.83	-2.17	-54.64
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCC(=O)N1	REAL250004663613	1	34	-1.0	-52.50	298.89	-2.15	-54.65
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C(CO)C2	REAL250004663614	0	40	-1.0	-47.50	311.64	2.29	-45.21
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C(CO)C2	REAL250004663614	1	40	-1.0	-47.52	311.70	2.30	-45.22
CC1=NN2C(=C1)N=CC=C2NC(=O)CCCC1=N[N-]N=N1	REAL250004663615	0	34	-1.0	-57.81	299.66	3.69	-54.12
CC1=NN2C(=C1)N=CC=C2NC(=O)CCCC1=NN=N[N-]1	REAL250004663615	1	34	-1.0	-57.80	299.72	3.71	-54.09
O=C(CCCC1=N[N-]N=N1)NCC1SCCS1	REAL250004663616	0	31	-1.0	-46.92	283.33	3.20	-43.72
O=C(CCCC1=NN=N[N-]1)NCC1SCCS1	REAL250004663616	1	31	-1.0	-46.90	283.39	3.21	-43.69
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004663617	0	34	-1.0	-47.77	296.61	3.69	-44.08
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004663617	1	34	-1.0	-47.75	296.67	3.70	-44.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC(C2)C1	REAL250004663618	0	36	-1.0	-35.79	286.12	5.35	-30.44
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC(C2)C1	REAL250004663618	1	36	-1.0	-35.62	285.94	5.39	-30.23
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CNN=C1	REAL250004663619	0	30	-1.0	-49.30	274.00	-1.33	-50.63
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CNN=C1	REAL250004663619	1	30	-1.0	-49.30	274.05	-1.32	-50.62
CC1=CSC(C(=O)NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663621	0	33	-1.0	-46.88	305.67	1.90	-44.98
CC1=CSC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663621	1	33	-1.0	-46.91	305.72	1.91	-45.00
CC(O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004663623	0	39	-1.0	-45.75	318.62	1.78	-43.97
CC(O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004663623	1	39	-1.0	-45.73	318.68	1.80	-43.93
O=C(NCCOCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663624	0	32	-1.0	-38.75	291.80	0.46	-38.29
O=C(NCCOCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663624	1	32	-1.0	-38.71	291.87	0.47	-38.24
CC1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663625	0	42	-1.0	-47.28	327.95	1.57	-45.71
CC1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663625	1	42	-1.0	-47.31	328.00	1.58	-45.73
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC(F)CC1	REAL250004663626	0	41	-1.0	-47.21	325.00	4.74	-42.47
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC(F)CC1	REAL250004663626	1	41	-1.0	-47.17	325.06	4.75	-42.42
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC=CN=C2C1	REAL250004663627	0	34	-1.0	-48.31	285.49	2.10	-46.21
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC=CN=C2C1	REAL250004663627	1	34	-1.0	-48.28	285.54	2.12	-46.16
C[C@H]1C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663628	0	36	-1.0	-47.32	300.22	5.72	-41.60
C[C@H]1C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663628	1	36	-1.0	-47.32	300.28	5.73	-41.59
CC(CNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004663629	0	34	-1.0	-55.84	295.54	-0.99	-56.83
CC(CNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004663629	1	34	-1.0	-55.82	295.60	-0.97	-56.79
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004663630	0	41	-1.0	-51.01	323.10	4.93	-46.08
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004663630	1	41	-1.0	-51.00	323.16	4.94	-46.06
CN(CC(=O)N1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663631	0	39	-1.0	-54.91	321.43	3.70	-51.21
CN(CC(=O)N1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663631	1	39	-1.0	-54.90	321.48	3.71	-51.19
CCC(CC)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663632	0	46	-1.0	-47.66	355.69	6.70	-40.96
CCC(CC)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663632	1	46	-1.0	-47.62	355.75	6.71	-40.91
CN1C=C(CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)C=N1	REAL250004663633	0	39	-1.0	-52.41	332.03	4.28	-48.13
CN1C=C(CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)C=N1	REAL250004663633	1	39	-1.0	-52.37	331.98	4.27	-48.10
CC1=CC2=CC=NC(NC(=O)CCCC3=NN=N[N-]3)=C2C=C1	REAL250004663634	0	37	-1.0	-54.12	313.63	6.07	-48.05
CC1=CC2=CC=NC(NC(=O)CCCC3=N[N-]N=N3)=C2C=C1	REAL250004663634	1	37	-1.0	-54.03	313.57	6.06	-47.97
CC1=CC2=C(NC(=O)CCCC3=NN=N[N-]3)N=CC=C2C=C1	REAL250004663635	0	37	-1.0	-54.01	313.62	6.07	-47.94
CC1=CC2=C(NC(=O)CCCC3=N[N-]N=N3)N=CC=C2C=C1	REAL250004663635	1	37	-1.0	-54.00	313.56	6.06	-47.94
CC1C(=O)N(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1C	REAL250004663636	0	34	-1.0	-57.60	301.00	1.10	-56.50
CC1C(=O)N(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1C	REAL250004663636	1	34	-1.0	-57.59	301.06	1.12	-56.47
CC(C)CCO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663637	0	45	-1.0	-48.97	358.05	4.91	-44.06
CC(C)CCO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663637	1	45	-1.0	-49.00	358.10	4.93	-44.07
O=C(CCCC1=N[N-]N=N1)NCCCC1=CNNC1=O	REAL250004663638	0	36	-1.0	-60.73	311.92	-0.34	-61.07
O=C(CCCC1=NN=N[N-]1)NCCCC1=CNNC1=O	REAL250004663638	1	36	-1.0	-60.70	311.97	-0.32	-61.02
CC1=NNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663639	0	28	-1.0	-37.93	261.10	-0.04	-37.97
CC1=NNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663639	1	28	-1.0	-37.89	261.17	-0.01	-37.90
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC=C1F	REAL250004663641	0	30	-1.0	-49.07	270.49	1.28	-47.79
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC=C1F	REAL250004663641	1	30	-1.0	-49.06	270.55	1.30	-47.76
CN1C(=O)CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663642	0	30	-1.0	-52.57	264.88	1.91	-50.66
CN1C(=O)CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663642	1	30	-1.0	-52.57	264.94	1.93	-50.64
O=C(CCCC1=N[N-]N=N1)N1CCCC2=NNC=C2C1	REAL250004663643	0	36	-1.0	-51.94	292.96	2.93	-49.01
O=C(CCCC1=NN=N[N-]1)N1CCCC2=NNC=C2C1	REAL250004663643	1	36	-1.0	-52.00	293.02	2.94	-49.06
O=C(CCCC1=N[N-]N=N1)N1CC2CC1CC(O)C2	REAL250004663644	0	37	-1.0	-48.36	290.93	1.63	-46.73
O=C(CCCC1=NN=N[N-]1)N1CC2CC1CC(O)C2	REAL250004663644	1	37	-1.0	-48.35	290.98	1.64	-46.71
CC1C2CCC(CC1O)N2C(=O)CCCC1=N[N-]N=N1	REAL250004663645	0	40	-1.0	-50.67	304.08	2.34	-48.33
CC1C2CCC(CC1O)N2C(=O)CCCC1=NN=N[N-]1	REAL250004663645	1	40	-1.0	-50.71	304.14	2.35	-48.36
CC1C2CCC(CC1O)N2C(=O)CCCC1=N[N-]N=N1	REAL250004663646	0	40	-1.0	-50.67	304.08	2.34	-48.33
CC1C2CCC(CC1O)N2C(=O)CCCC1=NN=N[N-]1	REAL250004663646	1	40	-1.0	-50.71	304.14	2.35	-48.36
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004663647	0	29	-1.0	-47.15	264.84	3.08	-44.07
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004663647	1	29	-1.0	-47.20	264.89	3.09	-44.11
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CS1	REAL250004663648	0	29	-1.0	-35.37	275.51	2.88	-32.49
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CS1	REAL250004663648	1	29	-1.0	-35.39	275.44	2.87	-32.52
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCCO1	REAL250004663649	0	43	-1.0	-48.19	336.45	4.30	-43.89
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCCO1	REAL250004663649	1	43	-1.0	-48.19	336.50	4.31	-43.88
CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004663650	0	32	-1.0	-36.63	292.34	2.22	-34.41
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004663650	1	32	-1.0	-36.61	292.41	2.22	-34.39
O=C(CCCC1=N[N-]N=N1)NCCC1CCCS1	REAL250004663651	0	36	-1.0	-50.87	305.43	3.63	-47.24
O=C(CCCC1=NN=N[N-]1)NCCC1CCCS1	REAL250004663651	1	36	-1.0	-50.88	305.49	3.64	-47.24
CN(OCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL250004663652	0	29	-1.0	-43.73	270.81	2.87	-40.86
CN(OCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL250004663652	1	29	-1.0	-43.79	270.87	2.88	-40.91
COC(=O)C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663653	0	35	-1.0	-50.40	317.05	2.35	-48.05
COC(=O)C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663653	1	35	-1.0	-50.38	317.11	2.36	-48.02
CC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663654	0	38	-1.0	-46.81	310.88	4.80	-42.01
CC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663654	1	38	-1.0	-46.77	310.94	4.82	-41.95
O=C(CCCC1=N[N-]N=N1)NCC1(F)CCOCC1	REAL250004663655	0	36	-1.0	-46.55	296.46	1.53	-45.02
O=C(CCCC1=NN=N[N-]1)NCC1(F)CCOCC1	REAL250004663655	1	36	-1.0	-46.55	296.52	1.54	-45.01
CC(C)OCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663656	0	35	-1.0	-36.54	305.49	1.06	-35.48
CC(C)OCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663656	1	35	-1.0	-36.52	305.56	1.07	-35.45
N#CC1=CC=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL250004663657	0	33	-1.0	-46.37	299.49	5.18	-41.19
N#CC1=CC=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL250004663657	1	33	-1.0	-46.37	299.55	5.19	-41.18
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H](C(F)(F)F)C1	REAL250004663658	0	35	-1.0	-47.70	294.31	4.51	-43.19
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H](C(F)(F)F)C1	REAL250004663658	1	35	-1.0	-47.71	294.36	4.53	-43.18
CCCN(CC(C)(C)O)C(=O)CCCC1=N[N-]N=N1	REAL250004663659	0	41	-1.0	-50.18	319.85	2.48	-47.70
CCCN(CC(C)(C)O)C(=O)CCCC1=NN=N[N-]1	REAL250004663659	1	41	-1.0	-50.16	319.90	2.50	-47.66
CC1(F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663660	0	35	-1.0	-46.66	282.44	4.23	-42.43
CC1(F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663660	1	35	-1.0	-46.70	282.50	4.25	-42.45
CC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004663661	0	35	-1.0	-35.36	290.50	4.42	-30.94
CC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004663661	1	35	-1.0	-35.35	290.57	4.44	-30.91
CC1=CC=CC=C1[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663662	0	41	-1.0	-47.18	323.37	6.52	-40.66
CC1=CC=CC=C1[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663662	1	41	-1.0	-47.10	323.43	6.53	-40.57
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663663	0	41	-1.0	-47.08	325.78	6.48	-40.60
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663663	1	41	-1.0	-47.07	325.84	6.50	-40.57
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(F)=C1	REAL250004663664	0	31	-1.0	-47.84	280.39	1.65	-46.19
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(F)=C1	REAL250004663664	1	31	-1.0	-47.85	280.45	1.67	-46.18
O=C(NCC1=CC=NC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663665	0	31	-1.0	-37.93	290.98	1.44	-36.49
O=C(NCC1=CC=NC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663665	1	31	-1.0	-37.97	291.05	1.45	-36.52
CC(CCC(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004663666	0	34	-1.0	-49.90	294.59	3.27	-46.63
CC(CCC(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004663666	1	34	-1.0	-49.88	294.65	3.29	-46.59
CC(CCC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663667	0	34	-1.0	-37.45	305.18	3.06	-34.39
CC(CCC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663667	1	34	-1.0	-37.43	305.25	3.08	-34.35
CC(CC1CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004663668	0	38	-1.0	-46.85	306.48	4.38	-42.47
CC(CC1CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004663668	1	38	-1.0	-46.83	306.54	4.39	-42.44
CC(CC1CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663669	0	38	-1.0	-35.64	319.12	4.12	-31.52
CC(CC1CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663669	1	38	-1.0	-35.64	319.19	4.14	-31.50
CNS(=O)(=O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663670	0	36	-1.0	-54.25	318.77	-2.55	-56.80
CNS(=O)(=O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663670	1	36	-1.0	-54.24	318.83	-2.54	-56.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(F)=C1F	REAL250004663671	0	32	-1.0	-49.40	290.95	3.56	-45.84
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(F)=C1F	REAL250004663671	1	32	-1.0	-49.42	291.01	3.58	-45.84
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CC2)CC1	REAL250004663672	0	42	-1.0	-46.18	332.61	5.19	-40.99
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CC2)CC1	REAL250004663672	1	42	-1.0	-46.21	332.67	5.20	-41.01
CS[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663673	0	33	-1.0	-46.66	290.38	3.07	-43.59
CS[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663673	1	33	-1.0	-46.69	290.44	3.08	-43.61
CS[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663674	0	33	-1.0	-35.09	301.05	2.86	-32.23
CS[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663674	1	33	-1.0	-35.02	301.12	2.87	-32.15
CON(C)C(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663675	0	36	-1.0	-47.99	304.60	1.38	-46.61
CON(C)C(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663675	1	36	-1.0	-48.02	304.66	1.39	-46.63
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2)CC1	REAL250004663676	0	39	-1.0	-48.49	301.01	5.69	-42.80
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2)CC1	REAL250004663676	1	39	-1.0	-48.53	301.07	5.71	-42.82
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CC2)CC1	REAL250004663677	0	39	-1.0	-36.06	306.08	6.43	-29.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CC2)CC1	REAL250004663677	1	39	-1.0	-36.05	306.15	6.44	-29.61
C#CCC(CCOC)NC(=O)CCCC1=N[N-]N=N1	REAL250004663678	0	37	-1.0	-48.51	314.91	2.46	-46.05
C#CCC(CCOC)NC(=O)CCCC1=NN=N[N-]1	REAL250004663678	1	37	-1.0	-48.51	314.97	2.48	-46.03
C#CCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004663679	0	34	-1.0	-46.62	299.16	1.80	-44.82
C#CCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004663679	1	34	-1.0	-46.61	299.22	1.81	-44.80
C#CCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663680	0	34	-1.0	-37.20	309.75	1.59	-35.61
C#CCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663680	1	34	-1.0	-37.21	309.82	1.61	-35.60
CN(CCNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004663681	0	36	-1.0	-50.70	303.80	0.50	-50.20
CN(CCNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004663681	1	36	-1.0	-50.70	303.86	0.51	-50.19
CCN1N=C(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663682	0	35	-1.0	-50.01	297.10	3.48	-46.53
CCN1N=C(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663682	1	35	-1.0	-50.00	297.15	3.49	-46.51
CCN1N=C(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663683	0	35	-1.0	-36.57	307.77	3.26	-33.31
CCN1N=C(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663683	1	35	-1.0	-36.57	307.83	3.28	-33.29
CO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663684	0	33	-1.0	-35.31	289.94	0.72	-34.59
CO[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663684	1	33	-1.0	-35.30	290.00	0.72	-34.58
CC(=O)NCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663685	0	42	-1.0	-51.93	328.23	3.56	-48.37
CC(=O)NCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663685	1	42	-1.0	-51.88	328.28	3.58	-48.30
CC=CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663686	0	42	-1.0	-47.36	330.90	6.27	-41.09
CC=CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663686	1	42	-1.0	-47.39	330.96	6.28	-41.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@H]1CO2	REAL250004663687	0	31	-1.0	-37.51	265.65	1.89	-35.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1CO2	REAL250004663687	1	31	-1.0	-37.51	265.72	1.91	-35.60
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2CC2)=C1	REAL250004663688	0	32	-1.0	-45.94	280.97	4.12	-41.82
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2CC2)=C1	REAL250004663688	1	32	-1.0	-45.93	281.03	4.13	-41.80
CCOC(=O)C1=NC(NC(=O)CCCC2=N[N-]N=N2)=CN1	REAL250004663689	0	35	-1.0	-46.04	310.67	2.55	-43.49
CCOC(=O)C1=NC(NC(=O)CCCC2=NN=N[N-]2)=CN1	REAL250004663689	1	35	-1.0	-46.05	310.73	2.57	-43.48
CON(C)C(=O)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663690	0	36	-1.0	-46.26	305.26	0.75	-45.51
CON(C)C(=O)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663690	1	36	-1.0	-46.29	305.31	0.76	-45.53
COCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004663691	0	40	-1.0	-47.52	317.48	2.26	-45.26
COCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004663691	1	40	-1.0	-47.54	317.54	2.27	-45.27
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CC(F)(F)C2	REAL250004663692	0	36	-1.0	-49.49	308.19	3.93	-45.56
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CC(F)(F)C2	REAL250004663692	1	36	-1.0	-49.50	308.24	3.94	-45.56
NC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004663694	0	37	-1.0	-53.68	305.79	-0.40	-54.08
NC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004663694	1	37	-1.0	-53.70	305.85	-0.39	-54.09
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004663695	0	34	-1.0	-49.29	298.61	2.57	-46.72
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004663695	1	34	-1.0	-49.31	298.67	2.59	-46.72
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	REAL250004663696	0	37	-1.0	-52.03	294.31	1.38	-50.65
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	REAL250004663696	1	37	-1.0	-52.00	294.37	1.40	-50.60
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2CCC2)C1=O	REAL250004663697	0	40	-1.0	-59.99	325.11	2.68	-57.31
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2CCC2)C1=O	REAL250004663697	1	40	-1.0	-59.99	325.16	2.69	-57.30
CCCCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004663698	0	43	-1.0	-46.83	334.66	6.20	-40.63
CCCCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004663698	1	43	-1.0	-46.84	334.72	6.21	-40.63
CC(C)N(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663699	0	38	-1.0	-46.52	301.86	5.39	-41.13
CC(C)N(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663699	1	38	-1.0	-46.51	301.91	5.40	-41.11
CC(C)N(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004663700	0	40	-1.0	-46.23	323.27	5.68	-40.55
CC(C)N(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004663700	1	40	-1.0	-46.26	323.32	5.70	-40.56
COC(C)CN(C(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004663701	0	41	-1.0	-45.10	319.14	4.26	-40.84
COC(C)CN(C(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004663701	1	41	-1.0	-45.14	319.19	4.27	-40.87
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CNC1=O	REAL250004663702	0	32	-1.0	-58.22	282.70	0.40	-57.82
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CNC1=O	REAL250004663702	1	32	-1.0	-58.21	282.76	0.41	-57.80
O=C(NCC1=CC=CNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663703	0	32	-1.0	-47.00	293.30	0.18	-46.82
O=C(NCC1=CC=CNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663703	1	32	-1.0	-47.00	293.36	0.17	-46.83
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C(=O)OC[C@@H]2C1	REAL250004663704	0	33	-1.0	-49.83	278.23	3.06	-46.77
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C(=O)OC[C@@H]2C1	REAL250004663704	1	33	-1.0	-49.85	278.29	3.07	-46.78
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CS1	REAL250004663705	0	31	-1.0	-49.93	285.40	1.50	-48.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CS1	REAL250004663705	1	31	-1.0	-49.90	285.34	1.48	-48.42
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CS2)C1	REAL250004663706	0	36	-1.0	-48.12	319.39	5.58	-42.54
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CS2)C1	REAL250004663706	1	36	-1.0	-48.15	319.45	5.59	-42.56
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NS1	REAL250004663707	0	31	-1.0	-46.06	283.05	2.12	-43.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NS1	REAL250004663707	1	31	-1.0	-46.05	283.10	2.13	-43.92
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663708	0	36	-1.0	-48.71	300.82	1.49	-47.22
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663708	1	36	-1.0	-48.73	300.88	1.50	-47.23
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663709	0	36	-1.0	-36.47	311.42	1.28	-35.19
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663709	1	36	-1.0	-36.45	311.49	1.29	-35.16
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004663710	0	39	-1.0	-46.21	314.04	6.37	-39.84
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004663710	1	39	-1.0	-46.20	314.09	6.38	-39.82
CC1=CC(O)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663711	0	33	-1.0	-51.45	285.43	1.18	-50.27
CC1=CC(O)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663711	1	33	-1.0	-51.48	285.49	1.20	-50.28
CCC(O)(CC)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663712	0	41	-1.0	-46.21	312.57	2.41	-43.80
CCC(O)(CC)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663712	1	41	-1.0	-46.20	312.62	2.43	-43.77
O=C(CCCC1=N[N-]N=N1)NCC1CCCC12CC2	REAL250004663713	0	39	-1.0	-46.58	312.64	4.32	-42.26
O=C(CCCC1=NN=N[N-]1)NCC1CCCC12CC2	REAL250004663713	1	39	-1.0	-46.63	312.70	4.34	-42.29
O=C(NCC1CCCC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663714	0	39	-1.0	-34.67	323.77	4.11	-30.56
O=C(NCC1CCCC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663714	1	39	-1.0	-34.66	323.84	4.12	-30.54
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1F	REAL250004663715	0	35	-1.0	-45.51	285.64	3.20	-42.31
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1F	REAL250004663715	1	35	-1.0	-45.47	285.70	3.22	-42.25
O=C(N[C@@H]1CCCC[C@@H]1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663716	0	35	-1.0	-35.74	296.68	3.00	-32.74
O=C(N[C@@H]1CCCC[C@@H]1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663716	1	35	-1.0	-35.72	296.75	3.03	-32.69
CN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C1CC1	REAL250004663718	0	36	-1.0	-51.79	304.93	3.24	-48.55
CN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C1CC1	REAL250004663718	1	36	-1.0	-51.83	304.98	3.26	-48.57
O=C(CCCC1=NN=N[N-]1)NCCC1=CN=CN=C1	REAL250004663719	0	33	-1.0	-51.38	290.27	2.27	-49.11
O=C(CCCC1=N[N-]N=N1)NCCC1=CN=CN=C1	REAL250004663719	1	33	-1.0	-51.34	290.22	2.26	-49.08
CC1CC(F)(F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663720	0	35	-1.0	-45.51	282.77	4.33	-41.18
CC1CC(F)(F)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663720	1	35	-1.0	-45.52	282.83	4.34	-41.18
COC(=O)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663721	0	35	-1.0	-50.33	305.97	-0.69	-51.02
COC(=O)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663721	1	35	-1.0	-50.31	306.02	-0.68	-50.99
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C(Cl)=C1	REAL250004663722	0	31	-1.0	-46.20	292.50	3.55	-42.65
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C(Cl)=C1	REAL250004663722	1	31	-1.0	-46.20	292.56	3.56	-42.64
O=C(CCCC1=N[N-]N=N1)NC1COC(C2CC2)C1	REAL250004663723	0	37	-1.0	-47.79	306.83	2.34	-45.45
O=C(CCCC1=NN=N[N-]1)NC1COC(C2CC2)C1	REAL250004663723	1	37	-1.0	-47.83	306.88	2.35	-45.48
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCO1	REAL250004663724	0	45	-1.0	-48.44	342.48	3.61	-44.83
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCO1	REAL250004663724	1	45	-1.0	-48.44	342.54	3.63	-44.81
CC1=NC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663725	0	34	-1.0	-47.00	291.46	2.18	-44.82
CC1=NC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663725	1	34	-1.0	-47.04	291.52	2.20	-44.84
CC1=NC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663726	0	34	-1.0	-37.07	301.88	2.26	-34.81
CC1=NC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663726	1	34	-1.0	-37.09	301.95	2.26	-34.83
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(=O)NC2	REAL250004663727	0	37	-1.0	-51.29	290.54	1.94	-49.35
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(=O)NC2	REAL250004663727	1	37	-1.0	-51.28	290.59	1.96	-49.32
COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004663728	0	38	-1.0	-51.25	327.69	0.95	-50.30
COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004663728	1	38	-1.0	-51.25	327.63	0.94	-50.31
CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004663729	0	37	-1.0	-49.49	311.49	3.09	-46.40
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004663729	1	37	-1.0	-49.49	311.54	3.10	-46.39
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC2CC2C1	REAL250004663730	0	39	-1.0	-46.05	311.06	4.51	-41.54
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC2CC2C1	REAL250004663730	1	39	-1.0	-46.07	311.12	4.53	-41.54
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CC2C1	REAL250004663731	0	39	-1.0	-34.69	321.66	4.31	-30.38
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2CC2C1	REAL250004663731	1	39	-1.0	-34.68	321.73	4.31	-30.37
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(O)C=CC=C2C1	REAL250004663732	0	37	-1.0	-48.73	305.16	3.02	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(O)C=CC=C2C1	REAL250004663732	1	37	-1.0	-48.72	305.21	3.04	-45.68
CC(C)(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663733	0	31	-1.0	-36.03	275.47	1.88	-34.15
CC(C)(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663733	1	31	-1.0	-35.99	275.54	1.89	-34.10
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1O	REAL250004663734	0	39	-1.0	-51.82	305.97	1.71	-50.11
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1O	REAL250004663734	1	39	-1.0	-51.79	306.03	1.72	-50.07
COC(=O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663735	0	35	-1.0	-53.99	309.13	1.24	-52.75
COC(=O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663735	1	35	-1.0	-54.01	309.19	1.25	-52.76
O=C(NC1CC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663737	0	33	-1.0	-35.00	289.01	3.08	-31.92
O=C(NC1CC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663737	1	33	-1.0	-34.98	289.08	3.08	-31.90
COC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004663738	0	38	-1.0	-51.28	327.67	0.96	-50.32
COC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004663738	1	38	-1.0	-51.26	327.73	0.97	-50.29
O=C(NC1CCCC12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663739	0	36	-1.0	-35.03	303.73	3.92	-31.11
O=C(NC1CCCC12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663739	1	36	-1.0	-35.04	303.80	3.93	-31.11
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663740	0	31	-1.0	-38.70	273.82	-3.20	-41.90
O=C(N[C@@H]1COC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663740	1	31	-1.0	-38.65	273.89	-3.19	-41.84
CC1(C)CC[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663741	0	42	-1.0	-50.08	323.00	1.84	-48.24
CC1(C)CC[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663741	1	42	-1.0	-50.10	323.05	1.86	-48.24
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCN(C)C1=O	REAL250004663742	0	42	-1.0	-56.00	310.06	4.82	-51.18
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCN(C)C1=O	REAL250004663742	1	42	-1.0	-55.99	310.11	4.85	-51.14
CCON1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663744	0	38	-1.0	-47.37	309.11	2.38	-44.99
CCON1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663744	1	38	-1.0	-47.37	309.17	2.40	-44.97
O=C(CCCC1=N[N-]N=N1)N1CCC(CCF)CC1	REAL250004663745	0	38	-1.0	-48.67	302.48	5.02	-43.65
O=C(CCCC1=NN=N[N-]1)N1CCC(CCF)CC1	REAL250004663745	1	38	-1.0	-48.68	302.54	5.03	-43.65
C=CCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663746	0	41	-1.0	-46.28	325.09	4.51	-41.77
C=CCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663746	1	41	-1.0	-46.30	325.15	4.53	-41.77
COC1=CC(C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004663747	0	39	-1.0	-48.34	320.34	4.24	-44.10
COC1=CC(C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004663747	1	39	-1.0	-48.35	320.39	4.27	-44.08
CC1=CC(C)=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663748	0	36	-1.0	-47.78	304.80	2.04	-45.74
CC1=CC(C)=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663748	1	36	-1.0	-47.82	304.86	2.05	-45.77
CCOCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004663749	0	40	-1.0	-48.22	324.71	2.15	-46.07
CCOCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004663749	1	40	-1.0	-48.22	324.77	2.17	-46.05
CN(C)C1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663750	0	36	-1.0	-48.46	299.69	2.00	-46.46
CN(C)C1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663750	1	36	-1.0	-48.45	299.63	1.99	-46.46
C[C@@H]1[C@H](NC(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004663751	0	35	-1.0	-51.16	297.20	-0.25	-51.41
C[C@@H]1[C@H](NC(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004663751	1	35	-1.0	-51.18	297.25	-0.24	-51.42
CSC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663752	0	36	-1.0	-47.96	298.31	4.65	-43.31
CSC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663752	1	36	-1.0	-47.97	298.37	4.66	-43.31
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CO1	REAL250004663754	0	39	-1.0	-51.74	325.05	5.55	-46.19
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CO1	REAL250004663754	1	39	-1.0	-51.72	325.11	5.57	-46.15
CCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663755	0	40	-1.0	-46.43	310.13	3.39	-43.04
CCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663755	1	40	-1.0	-46.46	310.19	3.41	-43.05
CCC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663756	0	40	-1.0	-34.79	320.72	3.18	-31.61
CCC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663756	1	40	-1.0	-34.76	320.79	3.20	-31.56
O=C(CCCC1=N[N-]N=N1)NCCC(O)C(F)F	REAL250004663757	0	32	-1.0	-51.34	284.30	-0.97	-52.31
O=C(CCCC1=NN=N[N-]1)NCCC(O)C(F)F	REAL250004663757	1	32	-1.0	-51.35	284.36	-0.96	-52.31
O=C(NCCC(O)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663758	0	32	-1.0	-39.42	295.20	-1.23	-40.65
O=C(NCCC(O)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663758	1	32	-1.0	-39.35	295.27	-1.22	-40.57
CC1=NC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004663759	0	34	-1.0	-46.99	304.83	2.24	-44.75
CC1=NC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004663759	1	34	-1.0	-47.01	304.89	2.25	-44.76
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)F)CC1	REAL250004663760	0	36	-1.0	-52.92	296.51	3.20	-49.72
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)F)CC1	REAL250004663760	1	36	-1.0	-52.88	296.57	3.21	-49.67
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004663761	0	47	-1.0	-47.98	349.89	6.88	-41.10
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004663761	1	47	-1.0	-48.00	349.95	6.89	-41.11
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1C[C@@H](C(N)=O)C1	REAL250004663762	0	36	-1.0	-51.31	295.92	0.22	-51.09
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1C[C@@H](C(N)=O)C1	REAL250004663762	1	36	-1.0	-51.31	295.98	0.23	-51.08
C[C@@H]1C[C@H](O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663763	0	36	-1.0	-48.25	282.45	0.90	-47.35
C[C@@H]1C[C@H](O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663763	1	36	-1.0	-48.23	282.50	0.92	-47.31
CC1=C(C)C(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004663764	0	35	-1.0	-45.58	308.02	3.84	-41.74
CC1=C(C)C(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004663764	1	35	-1.0	-45.54	308.08	3.86	-41.68
CC12CC1(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004663765	0	33	-1.0	-34.68	293.41	3.24	-31.44
CC12CC1(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004663765	1	33	-1.0	-34.66	293.48	3.24	-31.42
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC1C1CC1	REAL250004663766	0	37	-1.0	-48.75	298.37	1.51	-47.24
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC1C1CC1	REAL250004663766	1	37	-1.0	-48.80	298.43	1.53	-47.27
O=C(NCC1CC(O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663767	0	33	-1.0	-37.03	289.45	-1.09	-38.12
O=C(NCC1CC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663767	1	33	-1.0	-37.03	289.51	-1.09	-38.12
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663768	0	33	-1.0	-37.03	289.45	-1.09	-38.12
O=C(NC[C@@H]1C[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663768	1	33	-1.0	-37.02	289.51	-1.09	-38.11
O=C(CCCC1=N[N-]N=N1)NC1CCOCC1O	REAL250004663769	0	34	-1.0	-47.47	281.62	-2.04	-49.51
O=C(CCCC1=NN=N[N-]1)NC1CCOCC1O	REAL250004663769	1	34	-1.0	-47.50	281.68	-2.02	-49.52
O=C(NC1CCOCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663770	0	34	-1.0	-37.78	293.95	-2.74	-40.52
O=C(NC1CCOCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663770	1	34	-1.0	-37.75	294.02	-2.72	-40.47
COCC1(C2CC2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663771	0	40	-1.0	-49.46	325.88	4.59	-44.87
COCC1(C2CC2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663771	1	40	-1.0	-49.45	325.94	4.60	-44.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663772	0	39	-1.0	-59.61	313.41	3.76	-55.85
CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663772	1	39	-1.0	-59.62	313.45	3.77	-55.85
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1C#N	REAL250004663773	0	36	-1.0	-50.66	289.94	4.89	-45.77
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1C#N	REAL250004663773	1	36	-1.0	-50.63	289.99	4.91	-45.72
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1C#N	REAL250004663774	0	36	-1.0	-40.82	299.08	5.06	-35.76
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1C#N	REAL250004663774	1	36	-1.0	-40.75	299.15	5.07	-35.68
CCC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663775	0	39	-1.0	-50.68	301.95	1.78	-48.90
CCC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663775	1	39	-1.0	-50.67	302.01	1.79	-48.88
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2)C1	REAL250004663776	0	36	-1.0	-47.87	303.79	5.53	-42.34
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2)C1	REAL250004663776	1	36	-1.0	-47.87	303.85	5.55	-42.32
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=NC=CC=C2C=C1	REAL250004663777	0	37	-1.0	-50.38	320.19	3.83	-46.55
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=NC=CC=C2C=C1	REAL250004663777	1	37	-1.0	-50.39	320.25	3.85	-46.54
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CS1	REAL250004663778	0	29	-1.0	-46.74	260.89	3.13	-43.61
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CS1	REAL250004663778	1	29	-1.0	-46.76	260.94	3.15	-43.61
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CS1	REAL250004663779	0	29	-1.0	-34.92	271.54	2.93	-31.99
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CS1	REAL250004663779	1	29	-1.0	-34.96	271.47	2.93	-32.03
N#CC1=CC=CC(ONC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663780	0	31	-1.0	-53.21	291.44	4.68	-48.53
N#CC1=CC=CC(ONC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663780	1	31	-1.0	-53.21	291.50	4.70	-48.51
O=C(CCCC1=N[N-]N=N1)NC1=C2CCCCN2N=C1	REAL250004663781	0	36	-1.0	-53.06	296.57	2.74	-50.32
O=C(CCCC1=NN=N[N-]1)NC1=C2CCCCN2N=C1	REAL250004663781	1	36	-1.0	-53.07	296.62	2.75	-50.32
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)S2=O	REAL250004663782	0	38	-1.0	-62.69	294.84	2.79	-59.90
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)S2=O	REAL250004663782	1	38	-1.0	-62.70	294.90	2.81	-59.89
CC1(C)[C@H]2[C@H](CCCN2C(=O)CCCC2=N[N-]N=N2)[C@@H]1O	REAL250004663783	0	43	-1.0	-48.17	318.13	2.50	-45.67
CC1(C)[C@H]2[C@H](CCCN2C(=O)CCCC2=NN=N[N-]2)[C@@H]1O	REAL250004663783	1	43	-1.0	-48.20	318.19	2.51	-45.69
COC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004663784	0	39	-1.0	-49.50	325.77	4.89	-44.61
COC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004663784	1	39	-1.0	-49.54	325.83	4.90	-44.64
CC(NC(=O)CCCC1=N[N-]N=N1)C12CC1CCCC2	REAL250004663785	0	42	-1.0	-46.47	321.56	5.10	-41.37
CC(NC(=O)CCCC1=NN=N[N-]1)C12CC1CCCC2	REAL250004663785	1	42	-1.0	-46.46	321.62	5.11	-41.35
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(C1)O2	REAL250004663786	0	34	-1.0	-46.95	270.36	2.71	-44.24
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(C1)O2	REAL250004663786	1	34	-1.0	-46.99	270.42	2.72	-44.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CCC(C1)O2	REAL250004663787	0	34	-1.0	-35.08	277.82	3.00	-32.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CCC(C1)O2	REAL250004663787	1	34	-1.0	-35.04	277.88	3.00	-32.04
CCC(F)(F)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663788	0	40	-1.0	-51.06	320.21	3.97	-47.09
CCC(F)(F)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663788	1	40	-1.0	-51.06	320.27	3.99	-47.07
C[C@]1(CO)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@]1(C)CO	REAL250004663789	0	43	-1.0	-49.36	329.91	-1.72	-51.08
C[C@]1(CO)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@]1(C)CO	REAL250004663789	1	43	-1.0	-49.36	329.97	-1.71	-51.07
CC(C)O[C@@]1(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004663790	0	39	-1.0	-45.95	322.64	2.64	-43.31
CC(C)O[C@@]1(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004663790	1	39	-1.0	-46.02	322.70	2.66	-43.36
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[C@]2(CO)C1	REAL250004663791	0	40	-1.0	-49.79	313.46	1.76	-48.03
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[C@]2(CO)C1	REAL250004663791	1	40	-1.0	-49.81	313.52	1.77	-48.04
CCN1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004663792	0	36	-1.0	-59.01	304.07	1.54	-57.47
CCN1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004663792	1	36	-1.0	-59.01	304.12	1.55	-57.46
COC(=O)[C@@]1(C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004663793	0	41	-1.0	-47.39	329.93	4.38	-43.01
COC(=O)[C@@]1(C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004663793	1	41	-1.0	-47.42	329.99	4.39	-43.03
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)O1	REAL250004663794	0	36	-1.0	-45.95	296.36	1.55	-44.40
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)O1	REAL250004663794	1	36	-1.0	-46.00	296.42	1.56	-44.44
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)O1	REAL250004663795	0	36	-1.0	-34.83	306.70	1.36	-33.47
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)O1	REAL250004663795	1	36	-1.0	-34.78	306.77	1.35	-33.43
COC1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663796	0	39	-1.0	-44.74	304.07	3.24	-41.50
COC1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663796	1	39	-1.0	-44.75	304.12	3.25	-41.50
CC1OC(C)C(NC(=O)CCCC2=N[N-]N=N2)C1C	REAL250004663797	0	39	-1.0	-46.70	305.69	2.33	-44.37
CC1OC(C)C(NC(=O)CCCC2=NN=N[N-]2)C1C	REAL250004663797	1	39	-1.0	-46.73	305.75	2.36	-44.37
O=C(CCCC1=N[N-]N=N1)N1CCOC(CCF)C1	REAL250004663798	0	36	-1.0	-47.40	296.61	2.91	-44.49
O=C(CCCC1=NN=N[N-]1)N1CCOC(CCF)C1	REAL250004663798	1	36	-1.0	-47.45	296.66	2.93	-44.52
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004663799	0	42	-1.0	-48.59	333.80	6.91	-41.68
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004663799	1	42	-1.0	-48.63	333.86	6.93	-41.70
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004663800	0	40	-1.0	-44.58	318.70	3.41	-41.17
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004663800	1	40	-1.0	-44.61	318.76	3.42	-41.19
O=C(CCCC1=N[N-]N=N1)NC1C2CC3COC1C3C2	REAL250004663801	0	38	-1.0	-52.64	298.58	2.18	-50.46
O=C(CCCC1=NN=N[N-]1)NC1C2CC3COC1C3C2	REAL250004663801	1	38	-1.0	-52.65	298.64	2.20	-50.45
CC1C(=O)CC2CCC1N2C(=O)CCCC1=N[N-]N=N1	REAL250004663802	0	38	-1.0	-47.87	300.77	4.40	-43.47
CC1C(=O)CC2CCC1N2C(=O)CCCC1=NN=N[N-]1	REAL250004663802	1	38	-1.0	-47.89	300.83	4.41	-43.48
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL250004663803	0	35	-1.0	-48.16	298.98	-0.97	-49.13
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL250004663803	1	35	-1.0	-48.16	299.04	-0.95	-49.11
C=C(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004663804	0	38	-1.0	-44.80	316.76	3.12	-41.68
C=C(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004663804	1	38	-1.0	-44.83	316.82	3.14	-41.69
CC1=CC=C(O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004663805	0	33	-1.0	-50.29	281.83	1.35	-48.94
CC1=CC=C(O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004663805	1	33	-1.0	-50.31	281.88	1.36	-48.95
COCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663806	0	36	-1.0	-47.50	292.39	2.78	-44.72
COCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663806	1	36	-1.0	-47.48	292.44	2.79	-44.69
COCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663807	0	36	-1.0	-38.86	298.09	4.40	-34.46
COCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663807	1	36	-1.0	-38.78	298.16	4.40	-34.38
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL250004663808	0	33	-1.0	-48.07	297.43	3.86	-44.21
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL250004663808	1	33	-1.0	-48.08	297.49	3.88	-44.20
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004663809	0	33	-1.0	-45.56	288.43	2.76	-42.80
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004663809	1	33	-1.0	-45.50	288.49	2.77	-42.73
N#CC1=CC(F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663810	0	30	-1.0	-48.55	280.55	3.81	-44.74
N#CC1=CC(F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663810	1	30	-1.0	-48.54	280.60	3.83	-44.71
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=NC=C2C=C1	REAL250004663811	0	37	-1.0	-48.98	311.15	4.78	-44.20
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=NC=C2C=C1	REAL250004663811	1	37	-1.0	-49.01	311.20	4.80	-44.21
O=C(CCCC1=N[N-]N=N1)NCCC1CC=CCC1	REAL250004663812	0	39	-1.0	-47.03	313.79	4.35	-42.68
O=C(CCCC1=NN=N[N-]1)NCCC1CC=CCC1	REAL250004663812	1	39	-1.0	-47.12	313.85	4.37	-42.75
O=C(NCCC1CC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663813	0	39	-1.0	-35.22	324.34	4.15	-31.07
O=C(NCCC1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663813	1	39	-1.0	-35.19	324.41	4.16	-31.03
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1C1CC1	REAL250004663814	0	39	-1.0	-48.82	316.40	2.57	-46.25
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1C1CC1	REAL250004663814	1	39	-1.0	-48.90	316.46	2.59	-46.31
CCCC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663815	0	38	-1.0	-46.19	307.19	0.29	-45.90
CCCC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663815	1	38	-1.0	-46.23	307.25	0.30	-45.93
CCCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663816	0	38	-1.0	-36.17	317.78	0.04	-36.13
CCCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663816	1	38	-1.0	-36.21	317.84	0.05	-36.16
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004663817	0	35	-1.0	-52.22	296.58	0.41	-51.81
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004663817	1	35	-1.0	-52.27	296.63	0.43	-51.84
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)CO2	REAL250004663818	0	34	-1.0	-46.80	283.97	1.21	-45.59
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)CO2	REAL250004663818	1	34	-1.0	-46.79	284.03	1.22	-45.57
O=C(NCC12CC(C1)CO2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663819	0	34	-1.0	-37.22	294.78	0.98	-36.24
O=C(NCC12CC(C1)CO2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663819	1	34	-1.0	-37.19	294.85	0.98	-36.21
CN1CCOCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663820	0	38	-1.0	-45.69	304.19	-0.57	-46.26
CN1CCOCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663820	1	38	-1.0	-45.75	304.25	-0.56	-46.31
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(F)=C1O	REAL250004663821	1	30	-1.0	-45.74	268.79	0.72	-45.02
COC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004663822	0	37	-1.0	-51.17	311.35	4.31	-46.86
COC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004663822	1	37	-1.0	-51.16	311.40	4.33	-46.83
O=C(CCCC1=N[N-]N=N1)NCCC1CCSC1	REAL250004663823	0	36	-1.0	-49.38	304.95	3.52	-45.86
O=C(CCCC1=NN=N[N-]1)NCCC1CCSC1	REAL250004663823	1	36	-1.0	-49.40	305.00	3.54	-45.86
O=C(NC1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663824	0	26	-1.0	-38.74	242.89	-0.40	-39.14
O=C(NC1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663824	1	26	-1.0	-38.74	242.82	-0.41	-39.15
C[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004663825	0	35	-1.0	-52.25	296.65	0.42	-51.83
C[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004663825	1	35	-1.0	-52.31	296.71	0.44	-51.87
CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004663826	0	29	-1.0	-39.66	265.86	0.91	-38.75
CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004663826	1	29	-1.0	-39.62	265.79	0.90	-38.72
O=C(CCCC1=N[N-]N=N1)NCCCCC1CC1	REAL250004663827	0	38	-1.0	-46.61	315.28	4.35	-42.26
O=C(CCCC1=NN=N[N-]1)NCCCCC1CC1	REAL250004663827	1	38	-1.0	-46.62	315.34	4.37	-42.25
O=C(NCCCCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663828	0	38	-1.0	-34.99	325.88	4.16	-30.83
O=C(NCCCCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663828	1	38	-1.0	-34.91	325.94	4.16	-30.75
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004663829	0	34	-1.0	-50.34	277.63	-2.52	-52.86
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H](O)[C@@H](O)C1	REAL250004663829	1	34	-1.0	-50.36	277.69	-2.50	-52.86
CC1(C)CC(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663830	0	39	-1.0	-46.97	304.30	1.57	-45.40
CC1(C)CC(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663830	1	39	-1.0	-46.98	304.36	1.58	-45.40
CC(C)(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004663831	0	41	-1.0	-46.37	342.65	4.38	-41.99
CC(C)(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004663831	1	41	-1.0	-46.39	342.71	4.39	-42.00
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(C)(F)F	REAL250004663832	0	37	-1.0	-51.04	300.30	3.24	-47.80
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(C)(F)F	REAL250004663832	1	37	-1.0	-51.06	300.36	3.25	-47.81
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1O	REAL250004663833	0	36	-1.0	-48.68	305.37	1.56	-47.12
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1O	REAL250004663833	1	36	-1.0	-48.67	305.43	1.57	-47.10
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1O	REAL250004663834	0	36	-1.0	-50.08	305.42	1.58	-48.50
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1O	REAL250004663834	1	36	-1.0	-50.09	305.47	1.59	-48.50
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H](C(F)(F)F)C1	REAL250004663835	0	35	-1.0	-47.70	294.26	4.50	-43.20
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H](C(F)(F)F)C1	REAL250004663835	1	35	-1.0	-47.71	294.30	4.52	-43.19
CC(C)(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663836	0	42	-1.0	-47.74	316.88	2.05	-45.69
CC(C)(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663836	1	42	-1.0	-47.75	316.93	2.07	-45.68
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004663837	0	37	-1.0	-46.73	293.36	4.97	-41.76
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004663837	1	37	-1.0	-46.73	293.42	4.99	-41.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004663838	0	37	-1.0	-35.95	300.72	5.22	-30.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CC=CC[C@@H]2C1	REAL250004663838	1	37	-1.0	-35.93	300.79	5.23	-30.70
CN1C(=O)[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C1=O	REAL250004663839	0	36	-1.0	-50.53	305.19	1.94	-48.59
CN1C(=O)[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C1=O	REAL250004663839	1	36	-1.0	-50.56	305.25	1.95	-48.61
O=C(CCCC1=N[N-]N=N1)N1CCC2CSCC2C1	REAL250004663840	0	37	-1.0	-47.88	301.17	4.99	-42.89
O=C(CCCC1=NN=N[N-]1)N1CCC2CSCC2C1	REAL250004663840	1	37	-1.0	-47.91	301.23	5.01	-42.90
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004663841	0	39	-1.0	-48.36	328.27	3.77	-44.59
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004663841	1	39	-1.0	-48.38	328.32	3.78	-44.60
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663843	0	39	-1.0	-55.91	324.48	2.02	-53.89
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663843	1	39	-1.0	-55.91	324.54	2.03	-53.88
O=C(CCCC1=N[N-]N=N1)NCC1CCC12CCOCC2	REAL250004663844	0	43	-1.0	-48.47	335.64	2.89	-45.58
O=C(CCCC1=NN=N[N-]1)NCC1CCC12CCOCC2	REAL250004663844	1	43	-1.0	-48.49	335.70	2.91	-45.58
CN1C=C(C(F)F)C(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663845	0	35	-1.0	-50.80	312.56	1.99	-48.81
CN1C=C(C(F)F)C(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663845	1	35	-1.0	-50.83	312.62	2.00	-48.83
N#CCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663846	0	38	-1.0	-52.69	310.77	2.24	-50.45
N#CCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663846	1	38	-1.0	-52.74	310.83	2.25	-50.49
O=C(CCCC1=N[N-]N=N1)NCC1CC2CC1C1CC12	REAL250004663847	0	40	-1.0	-46.69	308.57	4.56	-42.13
O=C(CCCC1=NN=N[N-]1)NCC1CC2CC1C1CC12	REAL250004663847	1	40	-1.0	-46.70	308.62	4.58	-42.12
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL250004663849	0	43	-1.0	-47.90	345.33	3.53	-44.37
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL250004663849	1	43	-1.0	-47.91	345.39	3.54	-44.37
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C1CCOC1	REAL250004663850	0	43	-1.0	-49.96	337.37	3.44	-46.52
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C1CCOC1	REAL250004663850	1	43	-1.0	-49.96	337.43	3.46	-46.50
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=N2)CCC1	REAL250004663851	0	38	-1.0	-52.57	317.60	3.75	-48.82
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=N2)CCC1	REAL250004663851	1	38	-1.0	-52.53	317.54	3.74	-48.79
CCON(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663852	0	32	-1.0	-36.09	279.82	3.67	-32.42
CCON(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663852	1	32	-1.0	-36.06	279.88	3.69	-32.37
O=C(CCCC1=N[N-]N=N1)N1OC2CCC1CC2	REAL250004663853	0	34	-1.0	-45.94	273.63	3.64	-42.30
O=C(CCCC1=NN=N[N-]1)N1OC2CCC1CC2	REAL250004663853	1	34	-1.0	-45.96	273.70	3.66	-42.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1OC2CCC1CC2	REAL250004663854	0	34	-1.0	-39.25	282.35	3.77	-35.48
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1OC2CCC1CC2	REAL250004663854	1	34	-1.0	-39.21	282.42	3.78	-35.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1OC2C=CC1CC2	REAL250004663855	0	32	-1.0	-38.50	274.88	3.69	-34.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1OC2C=CC1CC2	REAL250004663855	1	32	-1.0	-38.46	274.94	3.69	-34.77
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=NN1C1CC1	REAL250004663857	0	37	-1.0	-46.97	320.31	1.77	-45.20
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=NN1C1CC1	REAL250004663857	1	37	-1.0	-46.97	320.37	1.78	-45.19
COC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663858	0	38	-1.0	-48.80	303.95	1.29	-47.51
COC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663858	1	38	-1.0	-48.80	304.01	1.31	-47.49
COC(C)(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663859	0	38	-1.0	-36.58	314.55	1.09	-35.49
COC(C)(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663859	1	38	-1.0	-36.61	314.61	1.10	-35.51
CC(C)COC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663860	0	40	-1.0	-44.92	336.67	3.79	-41.13
CC(C)COC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663860	1	40	-1.0	-44.87	336.73	3.80	-41.07
C[C@H](O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663861	0	39	-1.0	-48.73	305.52	1.60	-47.13
C[C@H](O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663861	1	39	-1.0	-48.73	305.57	1.61	-47.12
C[C@@H](O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663862	0	39	-1.0	-49.39	304.60	1.66	-47.73
C[C@@H](O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663862	1	39	-1.0	-49.39	304.66	1.68	-47.71
O=C(CCCC1=N[N-]N=N1)NNC1=CC(Cl)=CC=C1F	REAL250004663863	0	31	-1.0	-47.17	292.11	3.58	-43.59
O=C(CCCC1=NN=N[N-]1)NNC1=CC(Cl)=CC=C1F	REAL250004663863	1	31	-1.0	-47.20	292.17	3.59	-43.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(C(F)F)=C1	REAL250004663864	0	32	-1.0	-47.95	289.93	4.25	-43.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(C(F)F)=C1	REAL250004663864	1	32	-1.0	-48.00	289.99	4.27	-43.73
CN1C=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663865	0	32	-1.0	-38.63	289.82	2.40	-36.23
CN1C=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663865	1	32	-1.0	-38.62	289.89	2.40	-36.22
CN(CCC1=CC=CC(C#N)=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004663866	0	39	-1.0	-54.28	339.55	6.75	-47.53
CN(CCC1=CC=CC(C#N)=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004663866	1	39	-1.0	-54.29	339.61	6.77	-47.52
O=C(CCCC1=NN=N[N-]1)NC1=NN(CCF)C=C1	REAL250004663867	0	32	-1.0	-48.55	283.22	3.10	-45.45
O=C(CCCC1=N[N-]N=N1)NC1=NN(CCF)C=C1	REAL250004663867	1	32	-1.0	-48.56	283.16	3.08	-45.48
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NN1C	REAL250004663868	0	35	-1.0	-47.87	298.78	1.85	-46.02
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NN1C	REAL250004663868	1	35	-1.0	-47.86	298.83	1.86	-46.00
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NN1C	REAL250004663869	0	35	-1.0	-37.59	304.11	1.58	-36.01
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NN1C	REAL250004663869	1	35	-1.0	-37.57	304.18	1.59	-35.98
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004663870	0	36	-1.0	-52.49	320.15	-0.31	-52.80
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004663870	1	36	-1.0	-52.50	320.21	-0.29	-52.79
CC1CC(CO)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663871	0	39	-1.0	-46.49	302.80	1.54	-44.95
CC1CC(CO)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663871	1	39	-1.0	-46.54	302.86	1.56	-44.98
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CCCC1	REAL250004663872	0	42	-1.0	-49.00	332.03	1.62	-47.38
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CCCC1	REAL250004663872	1	42	-1.0	-49.01	332.09	1.64	-47.37
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1O	REAL250004663873	0	36	-1.0	-48.95	287.89	0.28	-48.67
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1O	REAL250004663873	1	36	-1.0	-49.01	287.95	0.30	-48.71
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663874	0	36	-1.0	-36.90	300.26	-0.16	-37.06
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663874	1	36	-1.0	-36.91	300.32	-0.14	-37.05
COC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663875	0	39	-1.0	-50.03	323.85	3.71	-46.32
COC1=CC=CC=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663875	1	39	-1.0	-50.05	323.91	3.72	-46.33
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C#N	REAL250004663876	0	34	-1.0	-55.97	302.71	3.08	-52.89
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C#N	REAL250004663876	1	34	-1.0	-55.97	302.77	3.10	-52.87
COC1=CC=CC=C1[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663877	0	39	-1.0	-50.07	323.90	3.73	-46.34
COC1=CC=CC=C1[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663877	1	39	-1.0	-50.08	323.96	3.75	-46.33
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=NC=CN=C12	REAL250004663878	0	33	-1.0	-49.48	287.73	1.99	-47.49
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=NC=CN=C12	REAL250004663878	1	33	-1.0	-49.42	287.67	1.97	-47.45
O=C(CCCC1=N[N-]N=N1)NC1CN(C2=CC=NC=N2)C1	REAL250004663879	0	36	-1.0	-47.53	308.36	1.27	-46.26
O=C(CCCC1=NN=N[N-]1)NC1CN(C2=CC=NC=N2)C1	REAL250004663879	1	36	-1.0	-47.56	308.42	1.28	-46.28
CC1CCCC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004663880	0	45	-1.0	-47.24	344.19	6.26	-40.98
CC1CCCC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004663880	1	45	-1.0	-47.26	344.25	6.28	-40.98
COCC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663881	0	36	-1.0	-47.94	300.46	1.63	-46.31
COCC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663881	1	36	-1.0	-47.94	300.52	1.65	-46.29
COCC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663882	0	36	-1.0	-37.13	311.05	1.43	-35.70
COCC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663882	1	36	-1.0	-37.08	311.12	1.44	-35.64
NC(=O)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663883	0	33	-1.0	-56.40	282.53	-1.47	-57.87
NC(=O)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663883	1	33	-1.0	-56.40	282.59	-1.46	-57.86
NC(=O)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663884	0	33	-1.0	-42.65	293.10	-1.68	-44.33
NC(=O)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663884	1	33	-1.0	-42.65	293.16	-1.68	-44.33
O=C(CCCC1=N[N-]N=N1)N1C[C@H](CO)[C@H](CO)C1	REAL250004663885	0	37	-1.0	-51.78	299.58	-2.78	-54.56
O=C(CCCC1=NN=N[N-]1)N1C[C@H](CO)[C@H](CO)C1	REAL250004663885	1	37	-1.0	-51.82	299.63	-2.77	-54.59
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COCC[C@H]1O	REAL250004663886	0	34	-1.0	-51.88	283.36	-2.54	-54.42
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COCC[C@H]1O	REAL250004663886	1	34	-1.0	-51.92	283.41	-2.53	-54.45
O=C(N[C@@H]1COCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663887	0	34	-1.0	-39.13	293.95	-2.74	-41.87
O=C(N[C@@H]1COCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663887	1	34	-1.0	-39.09	294.02	-2.73	-41.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CC1CCC1	REAL250004663888	0	39	-1.0	-49.12	323.38	4.97	-44.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CC1CCC1	REAL250004663888	1	39	-1.0	-49.08	323.33	4.96	-44.12
COC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004663889	0	37	-1.0	-51.17	311.35	4.31	-46.86
COC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004663889	1	37	-1.0	-51.16	311.40	4.33	-46.83
CC1=CC=CC2=C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004663890	0	36	-1.0	-50.99	297.95	6.20	-44.79
CC1=CC=CC2=C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004663890	1	36	-1.0	-51.01	298.01	6.21	-44.80
CN(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004663891	0	37	-1.0	-46.70	314.21	2.89	-43.81
CN(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004663891	1	37	-1.0	-46.67	314.26	2.91	-43.76
O=C(CCCC1=N[N-]N=N1)NC1=NNC(CC2CC2)=C1	REAL250004663892	0	36	-1.0	-48.15	307.10	3.64	-44.51
O=C(CCCC1=NN=N[N-]1)NC1=NNC(CC2CC2)=C1	REAL250004663892	1	36	-1.0	-48.15	307.16	3.66	-44.49
CN1CCN2N=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL250004663894	0	38	-1.0	-49.17	308.11	0.81	-48.36
CN1CCN2N=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL250004663894	1	38	-1.0	-49.17	308.17	0.83	-48.34
N#CC1=CC=C2CC(NC(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004663895	0	37	-1.0	-49.04	323.01	5.14	-43.90
N#CC1=CC=C2CC(NC(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004663895	1	37	-1.0	-49.09	323.07	5.15	-43.94
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC(O)=C2C1	REAL250004663896	0	34	-1.0	-50.30	292.87	2.16	-48.14
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(O)=C2C1	REAL250004663896	1	34	-1.0	-50.30	292.93	2.17	-48.13
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1C1CC12	REAL250004663897	0	37	-1.0	-45.87	284.08	4.96	-40.91
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1C1CC12	REAL250004663897	1	37	-1.0	-45.88	284.14	4.97	-40.91
O=C(NC1CC2CC1C1CC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663898	0	37	-1.0	-35.37	294.49	4.75	-30.62
O=C(NC1CC2CC1C1CC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663898	1	37	-1.0	-35.36	294.56	4.75	-30.61
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C(F)(F)F	REAL250004663899	0	29	-1.0	-48.43	268.47	2.36	-46.07
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C(F)(F)F	REAL250004663899	1	29	-1.0	-48.38	268.53	2.37	-46.01
O=C(N[C@@H]1C[C@H]1C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663900	0	29	-1.0	-35.78	279.05	2.14	-33.64
O=C(N[C@@H]1C[C@H]1C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663900	1	29	-1.0	-35.73	279.12	2.15	-33.58
O=C(CCCC1=N[N-]N=N1)NOCCCC(F)(F)F	REAL250004663901	0	32	-1.0	-52.70	293.67	3.52	-49.18
O=C(CCCC1=NN=N[N-]1)NOCCCC(F)(F)F	REAL250004663901	1	32	-1.0	-52.69	293.73	3.54	-49.15
O=C(N[C@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663902	0	33	-1.0	-37.48	282.72	-0.48	-37.96
O=C(N[C@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663902	1	33	-1.0	-37.47	282.79	-0.48	-37.95
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004663903	0	33	-1.0	-46.26	277.81	4.12	-42.14
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004663903	1	33	-1.0	-46.28	277.86	4.14	-42.14
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCS1	REAL250004663904	0	33	-1.0	-34.33	286.20	4.34	-29.99
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCS1	REAL250004663904	1	33	-1.0	-34.32	286.26	4.34	-29.98
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(CCO)C2	REAL250004663905	0	43	-1.0	-51.18	329.87	2.59	-48.59
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(CCO)C2	REAL250004663905	1	43	-1.0	-51.18	329.93	2.60	-48.58
O=C(CCCC1=N[N-]N=N1)NC1C2C1C1CCC2C1	REAL250004663906	0	37	-1.0	-46.58	293.71	4.15	-42.43
O=C(CCCC1=NN=N[N-]1)NC1C2C1C1CCC2C1	REAL250004663906	1	37	-1.0	-46.59	293.77	4.16	-42.43
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663907	0	37	-1.0	-35.00	304.30	3.93	-31.07
O=C(NC1C2C1C1CCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663907	1	37	-1.0	-34.96	304.37	3.94	-31.02
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CC2)C=C1F	REAL250004663908	0	36	-1.0	-45.32	307.30	5.59	-39.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CC2)C=C1F	REAL250004663908	1	36	-1.0	-45.33	307.35	5.60	-39.73
O=C(CCCC1=N[N-]N=N1)N1CCOC2=CC=CN=C2C1	REAL250004663909	0	36	-1.0	-47.05	299.14	2.94	-44.11
O=C(CCCC1=NN=N[N-]1)N1CCOC2=CC=CN=C2C1	REAL250004663909	1	36	-1.0	-47.08	299.19	2.95	-44.13
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCC2)CC1	REAL250004663910	0	45	-1.0	-47.30	338.68	7.16	-40.14
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCC2)CC1	REAL250004663910	1	45	-1.0	-47.31	338.73	7.17	-40.14
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)OCC1CC12	REAL250004663911	0	35	-1.0	-49.84	293.92	2.89	-46.95
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)OCC1CC12	REAL250004663911	1	35	-1.0	-49.85	293.98	2.91	-46.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)OCC1CC12	REAL250004663912	0	35	-1.0	-36.54	301.87	2.79	-33.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)OCC1CC12	REAL250004663912	1	35	-1.0	-36.52	301.94	2.80	-33.72
COC(=O)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663913	0	33	-1.0	-51.27	292.11	-0.12	-51.39
COC(=O)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663913	1	33	-1.0	-51.29	292.16	-0.11	-51.40
COC(=O)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663914	0	34	-1.0	-53.29	293.99	2.35	-50.94
COC(=O)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663914	1	34	-1.0	-53.30	294.05	2.36	-50.94
COC(=O)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663915	0	34	-1.0	-42.10	304.58	2.16	-39.94
COC(=O)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663915	1	34	-1.0	-42.06	304.65	2.17	-39.89
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCCO2)CCC1	REAL250004663916	0	43	-1.0	-50.07	333.28	4.96	-45.11
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCCO2)CCC1	REAL250004663916	1	43	-1.0	-50.12	333.34	4.97	-45.15
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1CCOCC1	REAL250004663917	0	40	-1.0	-47.48	323.92	2.82	-44.66
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1CCOCC1	REAL250004663917	1	40	-1.0	-47.48	323.98	2.84	-44.64
O=C(CCCC1=N[N-]N=N1)NCC1=C2C=CNC2=CC=C1	REAL250004663918	0	36	-1.0	-49.16	310.26	3.50	-45.66
O=C(CCCC1=NN=N[N-]1)NCC1=C2C=CNC2=CC=C1	REAL250004663918	1	36	-1.0	-49.17	310.32	3.51	-45.66
O=C(CCCC1=N[N-]N=N1)NC1CCCN2N=CC=C12	REAL250004663919	0	36	-1.0	-51.43	297.33	2.13	-49.30
O=C(CCCC1=NN=N[N-]1)NC1CCCN2N=CC=C12	REAL250004663919	1	36	-1.0	-51.42	297.38	2.14	-49.28
CCOC1CC1C(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004663920	0	37	-1.0	-46.45	322.59	0.60	-45.85
CCOC1CC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004663920	1	37	-1.0	-46.48	322.65	0.62	-45.86
CC1(C2CCCCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663921	0	45	-1.0	-50.72	338.66	6.46	-44.26
CC1(C2CCCCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663921	1	45	-1.0	-50.77	338.72	6.47	-44.30
O=C(CCCC1=N[N-]N=N1)NC(CCO)C(F)F	REAL250004663922	0	32	-1.0	-45.83	283.44	-0.92	-46.75
O=C(CCCC1=NN=N[N-]1)NC(CCO)C(F)F	REAL250004663922	1	32	-1.0	-45.85	283.50	-0.90	-46.75
O=C(NC(CCO)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663923	0	32	-1.0	-35.69	293.92	-1.09	-36.78
O=C(NC(CCO)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663923	1	32	-1.0	-35.69	293.99	-1.07	-36.76
CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663924	0	41	-1.0	-50.05	324.98	1.70	-48.35
CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663924	1	41	-1.0	-50.08	325.04	1.72	-48.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)CC1	REAL250004663925	0	33	-1.0	-36.54	275.65	0.54	-36.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)CC1	REAL250004663925	1	33	-1.0	-36.52	275.71	0.54	-35.98
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1CCOCC1	REAL250004663926	0	37	-1.0	-47.16	308.80	0.06	-47.10
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CCOCC1	REAL250004663926	1	37	-1.0	-47.17	308.86	0.08	-47.09
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004663927	0	39	-1.0	-49.21	322.63	2.52	-46.69
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004663927	1	39	-1.0	-49.23	322.69	2.54	-46.69
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663928	0	35	-1.0	-55.54	308.13	-0.57	-56.11
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663928	1	35	-1.0	-55.55	308.19	-0.56	-56.11
O=C(NCC1CCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663929	0	30	-1.0	-38.56	278.13	2.04	-36.52
O=C(NCC1CCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663929	1	30	-1.0	-38.55	278.20	2.04	-36.51
C[C@@H]1CC[C@H](O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663930	0	36	-1.0	-49.30	281.20	1.03	-48.27
C[C@@H]1CC[C@H](O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663930	1	36	-1.0	-49.29	281.26	1.04	-48.25
C[C@@H]1CC[C@H](O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663931	0	36	-1.0	-36.11	289.48	1.19	-34.92
C[C@@H]1CC[C@H](O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663931	1	36	-1.0	-36.11	289.54	1.20	-34.91
CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004663932	0	34	-1.0	-53.17	292.26	4.47	-48.70
CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004663932	1	34	-1.0	-53.15	292.20	4.46	-48.69
CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004663933	0	34	-1.0	-39.47	302.85	4.25	-35.22
CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004663933	1	34	-1.0	-39.53	302.78	4.25	-35.28
O=C(CCCC1=N[N-]N=N1)N1CCC2=NC=NC=C2C1	REAL250004663934	0	34	-1.0	-49.53	285.25	3.74	-45.79
O=C(CCCC1=NN=N[N-]1)N1CCC2=NC=NC=C2C1	REAL250004663934	1	34	-1.0	-49.60	285.30	3.76	-45.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2C=CC1C2	REAL250004663935	0	31	-1.0	-36.81	266.79	4.22	-32.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2C=CC1C2	REAL250004663935	1	31	-1.0	-36.82	266.86	4.23	-32.59
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCCCO2)CC1	REAL250004663936	0	43	-1.0	-46.53	322.36	4.37	-42.16
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCCCO2)CC1	REAL250004663936	1	43	-1.0	-46.51	322.42	4.39	-42.12
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL250004663937	0	40	-1.0	-49.31	319.46	6.85	-42.46
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL250004663937	1	40	-1.0	-49.35	319.51	6.87	-42.48
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004663938	0	42	-1.0	-46.24	323.45	2.88	-43.36
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004663938	1	42	-1.0	-46.20	323.50	2.89	-43.31
O=C(CCCC1=N[N-]N=N1)NC1CCC2(COC2)CC1	REAL250004663939	0	40	-1.0	-48.75	317.72	2.13	-46.62
O=C(CCCC1=NN=N[N-]1)NC1CCC2(COC2)CC1	REAL250004663939	1	40	-1.0	-48.78	317.78	2.14	-46.64
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)COCCO2	REAL250004663940	0	41	-1.0	-48.03	315.85	2.64	-45.39
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)COCCO2	REAL250004663940	1	41	-1.0	-48.07	315.91	2.66	-45.41
NS(=O)(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663941	0	34	-1.0	-52.37	306.89	-3.07	-55.44
NS(=O)(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663941	1	34	-1.0	-52.38	306.95	-3.05	-55.43
N#CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663942	0	32	-1.0	-62.56	291.14	4.15	-58.41
N#CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663942	1	32	-1.0	-62.58	291.20	4.16	-58.42
CC[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663944	1	37	-1.0	-36.04	310.10	-0.13	-36.17
CCN1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663944	1	37	-1.0	-36.04	310.10	-0.13	-36.17
C#CC1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663946	0	37	-1.0	-48.95	296.67	5.65	-43.30
C#CC1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663946	1	37	-1.0	-48.97	296.73	5.66	-43.31
C#CC1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663947	0	37	-1.0	-36.74	303.54	6.41	-30.33
C#CC1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663947	1	37	-1.0	-36.74	303.61	6.43	-30.31
C#CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663948	0	38	-1.0	-47.57	310.23	2.26	-45.31
C#CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663948	1	38	-1.0	-47.61	310.29	2.27	-45.34
COC(=O)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663949	0	36	-1.0	-54.31	306.57	0.52	-53.79
COC(=O)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663949	1	36	-1.0	-54.34	306.62	0.54	-53.80
CC(C)(C)C12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004663950	0	42	-1.0	-48.15	338.68	4.63	-43.52
CC(C)(C)C12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004663950	1	42	-1.0	-48.15	338.73	4.64	-43.51
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCC2)O1	REAL250004663951	0	40	-1.0	-47.14	323.88	2.82	-44.32
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCC2)O1	REAL250004663951	1	40	-1.0	-47.12	323.94	2.83	-44.29
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCO2	REAL250004663952	0	40	-1.0	-51.01	313.38	3.48	-47.53
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCO2	REAL250004663952	1	40	-1.0	-51.00	313.44	3.50	-47.50
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@]12CCCO2	REAL250004663953	0	40	-1.0	-50.75	313.85	3.54	-47.21
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@]12CCCO2	REAL250004663953	1	40	-1.0	-50.75	313.91	3.55	-47.20
C=C(C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004663954	0	36	-1.0	-46.31	301.38	0.44	-45.87
C=C(C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004663954	1	36	-1.0	-46.31	301.44	0.46	-45.85
C=C(C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663955	0	36	-1.0	-36.50	314.37	0.08	-36.42
C=C(C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663955	1	36	-1.0	-36.50	314.44	0.10	-36.40
O=C(CCCC1=N[N-]N=N1)NC1COC2(CCC2)C1	REAL250004663956	0	37	-1.0	-46.53	302.45	2.04	-44.49
O=C(CCCC1=NN=N[N-]1)NC1COC2(CCC2)C1	REAL250004663956	1	37	-1.0	-46.55	302.51	2.05	-44.50
COC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663957	0	32	-1.0	-35.92	282.31	0.28	-35.64
COC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663957	1	32	-1.0	-35.92	282.38	0.29	-35.63
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(CC2CC2)C1	REAL250004663958	0	40	-1.0	-52.53	335.85	3.14	-49.39
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(CC2CC2)C1	REAL250004663958	1	40	-1.0	-52.53	335.91	3.16	-49.37
COC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004663959	0	33	-1.0	-53.14	286.39	-0.04	-53.18
COC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004663959	1	33	-1.0	-53.14	286.34	-0.06	-53.20
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC(=O)N[C@H]1C1CC1	REAL250004663960	0	40	-1.0	-50.24	325.81	1.97	-48.27
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC(=O)N[C@H]1C1CC1	REAL250004663960	1	40	-1.0	-50.23	325.87	1.98	-48.25
O=C(CCCC1=N[N-]N=N1)NCCC1CCCC1(F)F	REAL250004663961	0	38	-1.0	-51.44	313.24	3.88	-47.56
O=C(CCCC1=NN=N[N-]1)NCCC1CCCC1(F)F	REAL250004663961	1	38	-1.0	-51.44	313.30	3.90	-47.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CF)C1	REAL250004663962	0	32	-1.0	-37.93	277.40	3.78	-34.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CF)C1	REAL250004663962	1	32	-1.0	-37.91	277.47	3.78	-34.13
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCCO2	REAL250004663963	0	43	-1.0	-45.33	324.42	4.33	-41.00
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCCO2	REAL250004663963	1	43	-1.0	-45.34	324.48	4.34	-41.00
CC(=O)N1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004663964	0	40	-1.0	-57.07	322.45	3.10	-53.97
CC(=O)N1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004663964	1	40	-1.0	-57.07	322.50	3.12	-53.95
O=C(CCCC1=NN=N[N-]1)NC1(C2=NC=CC=N2)CCC1	REAL250004663965	0	37	-1.0	-52.04	312.06	2.74	-49.30
O=C(CCCC1=N[N-]N=N1)NC1(C2=NC=CC=N2)CCC1	REAL250004663965	1	37	-1.0	-52.05	312.00	2.73	-49.32
N#CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C1CC1	REAL250004663966	0	37	-1.0	-53.69	321.28	5.68	-48.01
N#CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C1CC1	REAL250004663966	1	37	-1.0	-53.70	321.34	5.70	-48.00
O=C(CCCC1=N[N-]N=N1)N1CCCC(CF)C1	REAL250004663967	0	35	-1.0	-50.59	283.74	4.32	-46.27
O=C(CCCC1=NN=N[N-]1)N1CCCC(CF)C1	REAL250004663967	1	35	-1.0	-50.61	283.80	4.34	-46.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CF)C1	REAL250004663968	0	35	-1.0	-37.61	292.05	4.52	-33.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CF)C1	REAL250004663968	1	35	-1.0	-37.59	292.12	4.53	-33.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(F)CC1	REAL250004663969	0	32	-1.0	-35.42	270.93	3.97	-31.45
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(F)CC1	REAL250004663969	1	32	-1.0	-35.42	271.00	3.97	-31.45
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NC=CS2)C1	REAL250004663970	0	35	-1.0	-49.91	308.10	3.66	-46.25
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NC=CS2)C1	REAL250004663970	1	35	-1.0	-49.87	308.16	3.67	-46.20
CC1(C2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004663971	0	42	-1.0	-49.45	330.42	7.11	-42.34
CC1(C2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004663971	1	42	-1.0	-49.46	330.48	7.12	-42.34
O=C(NCC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663972	0	33	-1.0	-35.18	287.41	2.86	-32.32
O=C(NCC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663972	1	33	-1.0	-35.18	287.47	2.86	-32.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC2(O)C1	REAL250004663973	0	31	-1.0	-36.28	271.45	0.33	-35.95
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC2(O)C1	REAL250004663973	1	31	-1.0	-36.24	271.52	0.34	-35.90
COC1COCCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004663974	0	40	-1.0	-49.91	318.34	1.61	-48.30
COC1COCCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004663974	1	40	-1.0	-49.89	318.40	1.62	-48.27
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NS1	REAL250004663975	0	31	-1.0	-50.48	285.39	2.07	-48.41
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NS1	REAL250004663975	1	31	-1.0	-50.49	285.45	2.08	-48.41
CC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)OC1	REAL250004663976	0	42	-1.0	-46.39	330.84	2.73	-43.66
CC1(C)CCC(CNC(=O)CCCC2=NN=N[N-]2)OC1	REAL250004663976	1	42	-1.0	-46.40	330.89	2.74	-43.66
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=COC=C1	REAL250004663977	0	39	-1.0	-48.73	325.34	0.78	-47.95
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=COC=C1	REAL250004663977	1	39	-1.0	-48.70	325.39	0.80	-47.90
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004663978	0	38	-1.0	-46.88	298.74	4.79	-42.09
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004663978	1	38	-1.0	-46.93	298.80	4.81	-42.12
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL250004663979	0	38	-1.0	-36.35	305.98	5.03	-31.32
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL250004663979	1	38	-1.0	-36.31	306.05	5.04	-31.27
C#CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004663980	0	28	-1.0	-37.61	264.29	2.05	-35.56
C#CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004663980	1	28	-1.0	-37.58	264.36	2.06	-35.52
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004663981	0	35	-1.0	-53.49	301.23	4.36	-49.13
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004663981	1	35	-1.0	-53.52	301.28	4.37	-49.15
C=C1C[C@@H](C(=O)OC)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663982	0	36	-1.0	-53.45	308.05	4.73	-48.72
C=C1C[C@@H](C(=O)OC)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663982	1	36	-1.0	-53.49	308.10	4.75	-48.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC(O)=CC=C1Cl	REAL250004663983	0	33	-1.0	-47.93	304.48	1.07	-46.86
O=C(CCCC1=NN=N[N-]1)NCC1=CC(O)=CC=C1Cl	REAL250004663983	1	33	-1.0	-47.98	304.54	1.09	-46.89
COC(=O)[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663984	0	40	-1.0	-44.49	321.80	3.29	-41.20
COC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663984	1	40	-1.0	-44.54	321.86	3.31	-41.23
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(Cl)=N1	REAL250004663986	0	34	-1.0	-48.65	310.15	2.69	-45.96
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(Cl)=N1	REAL250004663986	1	34	-1.0	-48.66	310.21	2.71	-45.95
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H]([C@@H](O)CO)C1	REAL250004663987	0	38	-1.0	-50.72	309.87	-3.11	-53.83
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H]([C@@H](O)CO)C1	REAL250004663987	1	38	-1.0	-50.70	309.93	-3.10	-53.80
COC[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663988	0	36	-1.0	-48.78	300.59	1.58	-47.20
COC[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663988	1	36	-1.0	-48.82	300.65	1.59	-47.23
COC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663989	0	36	-1.0	-36.50	311.12	1.37	-35.13
COC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663989	1	36	-1.0	-36.45	311.19	1.38	-35.07
O=C(NC1CC(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663990	0	36	-1.0	-34.96	309.87	3.88	-31.08
O=C(NC1CC(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663990	1	36	-1.0	-34.93	309.94	3.89	-31.04
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(O)=C1C	REAL250004663991	0	36	-1.0	-50.47	301.06	1.80	-48.67
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(O)=C1C	REAL250004663991	1	36	-1.0	-50.46	301.11	1.81	-48.65
O=C(CCCC1=N[N-]N=N1)NCC1(CC2CC2)CC1	REAL250004663992	0	39	-1.0	-46.17	315.81	5.04	-41.13
O=C(CCCC1=NN=N[N-]1)NCC1(CC2CC2)CC1	REAL250004663992	1	39	-1.0	-46.22	315.86	5.06	-41.16
O=C(NCC1(CC2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663993	0	39	-1.0	-34.78	325.55	4.82	-29.96
O=C(NCC1(CC2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663993	1	39	-1.0	-34.74	325.61	4.83	-29.91
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004663994	1	40	-1.0	-46.44	301.96	2.28	-44.16
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004663994	1	40	-1.0	-46.48	302.01	2.29	-44.19
O=C(CCCC1=N[N-]N=N1)N1CC(CCC(F)(F)F)C1	REAL250004663995	0	35	-1.0	-50.11	308.87	4.61	-45.50
O=C(CCCC1=NN=N[N-]1)N1CC(CCC(F)(F)F)C1	REAL250004663995	1	35	-1.0	-50.09	308.93	4.62	-45.47
O=C(CCCC1=N[N-]N=N1)N1CC(CC2CCOCC2)C1	REAL250004663996	0	43	-1.0	-48.94	339.33	4.14	-44.80
O=C(CCCC1=NN=N[N-]1)N1CC(CC2CCOCC2)C1	REAL250004663996	1	43	-1.0	-48.99	339.39	4.16	-44.83
C#CC1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004663997	0	28	-1.0	-38.64	268.50	3.17	-35.47
C#CC1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004663997	1	28	-1.0	-38.59	268.57	3.18	-35.41
CN1N=CN=C1C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004663998	0	36	-1.0	-52.09	309.23	1.01	-51.08
CN1N=CN=C1C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004663998	1	36	-1.0	-52.06	309.18	0.99	-51.07
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004663999	0	35	-1.0	-46.73	294.55	3.29	-43.44
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004663999	1	35	-1.0	-46.71	294.61	3.30	-43.41
CCCC(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664000	0	40	-1.0	-46.39	319.47	3.93	-42.46
CCCC(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664000	1	40	-1.0	-46.45	319.52	3.94	-42.51
CCCC(C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664001	0	40	-1.0	-34.70	330.06	3.72	-30.98
CCCC(C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664001	1	40	-1.0	-34.65	330.13	3.73	-30.92
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC(F)F	REAL250004664002	0	37	-1.0	-47.70	301.12	3.41	-44.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC(F)F	REAL250004664002	1	37	-1.0	-47.70	301.17	3.43	-44.27
CC1(C)CC1(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664003	0	38	-1.0	-45.83	305.77	4.06	-41.77
CC1(C)CC1(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664003	1	38	-1.0	-45.84	305.83	4.07	-41.77
CC1(C)CC1(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664004	0	38	-1.0	-34.63	316.36	3.85	-30.78
CC1(C)CC1(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664004	1	38	-1.0	-34.66	316.43	3.86	-30.80
COC(=O)[C@H](CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004664005	0	35	-1.0	-51.08	307.77	1.05	-50.03
COC(=O)[C@H](CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004664005	1	35	-1.0	-51.12	307.83	1.07	-50.05
O=C(NC1C2(CC2)C12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664006	0	34	-1.0	-35.21	304.86	4.11	-31.10
O=C(NC1C2(CC2)C12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664006	1	34	-1.0	-35.20	304.93	4.13	-31.07
CC1C2=C(C=CS2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664007	0	36	-1.0	-46.90	299.74	5.42	-41.48
CC1C2=C(C=CS2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664007	1	36	-1.0	-46.94	299.80	5.43	-41.51
O=C(CCCC1=N[N-]N=N1)NN1CC2CCCC(C2)C1	REAL250004664008	0	41	-1.0	-48.02	309.77	5.19	-42.83
O=C(CCCC1=NN=N[N-]1)NN1CC2CCCC(C2)C1	REAL250004664008	1	41	-1.0	-48.01	309.83	5.21	-42.80
C=CC=CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664009	0	33	-1.0	-35.31	299.32	3.00	-32.31
C=CC=CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664009	1	33	-1.0	-35.31	299.39	3.02	-32.29
CO[C@H]1C[C@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664010	0	36	-1.0	-46.75	300.73	1.51	-45.24
CO[C@H]1C[C@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664010	1	36	-1.0	-46.75	300.79	1.53	-45.22
CO[C@H]1C[C@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664011	0	36	-1.0	-36.40	311.33	1.31	-35.09
CO[C@H]1C[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664011	1	36	-1.0	-36.33	311.40	1.32	-35.01
CN(C)C(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664012	0	38	-1.0	-47.87	299.13	1.85	-46.02
CN(C)C(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664012	1	38	-1.0	-47.88	299.19	1.86	-46.02
O=C(CCCC1=N[N-]N=N1)NCC12CCC(CC1)O2	REAL250004664013	0	37	-1.0	-47.05	297.06	1.88	-45.17
O=C(CCCC1=NN=N[N-]1)NCC12CCC(CC1)O2	REAL250004664013	1	37	-1.0	-47.09	297.12	1.90	-45.19
CN(CCS(N)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004664014	0	33	-1.0	-56.63	293.99	-2.43	-59.06
CN(CCS(N)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004664014	1	33	-1.0	-56.63	294.05	-2.41	-59.04
O=C(CCCC1=N[N-]N=N1)NC1=CSC=C1Cl	REAL250004664015	0	26	-1.0	-44.32	257.04	2.85	-41.47
O=C(CCCC1=NN=N[N-]1)NC1=CSC=C1Cl	REAL250004664015	1	26	-1.0	-44.33	257.09	2.86	-41.47
CC1=NON=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664016	0	30	-1.0	-47.89	271.30	0.04	-47.85
CC1=NON=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664016	1	30	-1.0	-47.85	271.36	0.05	-47.80
CC1=NON=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664017	0	30	-1.0	-38.83	281.89	-0.18	-39.01
CC1=NON=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664017	1	30	-1.0	-38.82	281.96	-0.17	-38.99
O=C(NCCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664018	0	35	-1.0	-34.92	299.49	3.11	-31.81
O=C(NCCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664018	1	35	-1.0	-34.88	299.57	3.12	-31.76
O=C(CCCC1=N[N-]N=N1)NCCCC1C=CCC1	REAL250004664020	0	39	-1.0	-46.69	318.03	4.51	-42.18
O=C(CCCC1=NN=N[N-]1)NCCCC1C=CCC1	REAL250004664020	1	39	-1.0	-46.73	318.09	4.53	-42.20
O=C(NCCCC1C=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664021	0	39	-1.0	-35.23	328.63	4.31	-30.92
O=C(NCCCC1C=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664021	1	39	-1.0	-35.25	328.69	4.32	-30.93
O=C(NC[C@@H]1C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664022	0	33	-1.0	-36.84	289.34	-1.08	-37.92
O=C(NC[C@@H]1C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664022	1	33	-1.0	-36.82	289.41	-1.07	-37.89
CC1(NC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004664023	0	32	-1.0	-46.21	275.10	2.69	-43.52
CC1(NC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004664023	1	32	-1.0	-46.21	275.16	2.71	-43.50
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL250004664024	0	32	-1.0	-36.99	285.70	2.51	-34.48
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL250004664024	1	32	-1.0	-37.01	285.77	2.51	-34.50
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)C1	REAL250004664025	0	33	-1.0	-52.42	270.19	0.41	-52.01
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)C1	REAL250004664025	1	33	-1.0	-52.46	270.25	0.42	-52.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCNC(=O)C1	REAL250004664026	0	33	-1.0	-44.39	275.48	0.99	-43.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCNC(=O)C1	REAL250004664026	1	33	-1.0	-44.41	275.55	1.00	-43.41
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004664027	0	34	-1.0	-47.81	274.39	1.95	-45.86
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2COC[C@@H]2C1	REAL250004664027	1	34	-1.0	-47.84	274.44	1.97	-45.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004664028	0	34	-1.0	-35.93	281.01	2.17	-33.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2COC[C@@H]2C1	REAL250004664028	1	34	-1.0	-35.94	281.07	2.19	-33.75
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCCC2O1	REAL250004664029	0	40	-1.0	-46.73	316.88	2.56	-44.17
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCCC2O1	REAL250004664029	1	40	-1.0	-46.70	316.93	2.57	-44.13
C#C[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664030	0	37	-1.0	-48.69	308.01	4.25	-44.44
C#C[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664030	1	37	-1.0	-48.70	308.06	4.26	-44.44
C#C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004664031	0	37	-1.0	-36.26	318.59	4.04	-32.22
C#C[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004664031	1	37	-1.0	-36.28	318.66	4.06	-32.22
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(Cl)=C1	REAL250004664032	0	33	-1.0	-47.32	306.13	1.18	-46.14
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(Cl)=C1	REAL250004664032	1	33	-1.0	-47.35	306.19	1.19	-46.16
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCOC[C@H]1O	REAL250004664033	0	34	-1.0	-48.95	283.35	-2.54	-51.49
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCOC[C@H]1O	REAL250004664033	1	34	-1.0	-48.94	283.41	-2.52	-51.46
O=C(N[C@@H]1CCOC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664034	0	34	-1.0	-37.79	293.94	-2.74	-40.53
O=C(N[C@@H]1CCOC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664034	1	34	-1.0	-37.83	294.01	-2.72	-40.55
O=C(NCC1=NC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664035	0	30	-1.0	-39.40	279.64	0.49	-38.91
O=C(NCC1=NC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664035	1	30	-1.0	-39.36	279.71	0.49	-38.87
CCCC1(CCC)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664036	0	47	-1.0	-48.45	350.25	7.33	-41.12
CCCC1(CCC)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664036	1	47	-1.0	-48.47	350.30	7.34	-41.13
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCNC2=O)CC1	REAL250004664037	0	40	-1.0	-51.88	310.24	1.56	-50.32
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCNC2=O)CC1	REAL250004664037	1	40	-1.0	-51.88	310.30	1.57	-50.31
CN(C)C1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004664038	0	38	-1.0	-50.11	322.10	1.06	-49.05
CN(C)C1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004664038	1	38	-1.0	-50.11	322.16	1.08	-49.03
CCC1(CC)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664039	0	41	-1.0	-48.20	307.24	5.83	-42.37
CCC1(CC)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664039	1	41	-1.0	-48.22	307.30	5.84	-42.38
CC1=CC(F)=C(C#N)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664040	0	33	-1.0	-52.68	297.49	4.63	-48.05
CC1=CC(F)=C(C#N)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664040	1	33	-1.0	-52.70	297.55	4.64	-48.06
O=C(CCCC1=N[N-]N=N1)NCCCC1CCOC1=O	REAL250004664041	0	38	-1.0	-52.89	317.47	3.12	-49.77
O=C(CCCC1=NN=N[N-]1)NCCCC1CCOC1=O	REAL250004664041	1	38	-1.0	-52.92	317.53	3.14	-49.78
CCOC(=O)C(CC1CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664042	0	41	-1.0	-44.79	340.88	4.52	-40.27
CCOC(=O)C(CC1CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664042	1	41	-1.0	-44.80	340.94	4.54	-40.26
O=C(CCCC1=N[N-]N=N1)NCC1=NC=C(Cl)S1	REAL250004664043	0	28	-1.0	-45.28	280.93	1.23	-44.05
O=C(CCCC1=NN=N[N-]1)NCC1=NC=C(Cl)S1	REAL250004664043	1	28	-1.0	-45.29	280.99	1.25	-44.04
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(CO)=N1	REAL250004664044	0	36	-1.0	-49.68	316.96	-0.76	-50.44
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NC(CO)=N1	REAL250004664044	1	36	-1.0	-49.71	317.01	-0.75	-50.46
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=N1	REAL250004664045	0	30	-1.0	-45.83	273.64	2.33	-43.50
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=N1	REAL250004664045	1	30	-1.0	-45.86	273.69	2.35	-43.51
CC1=NC=CN=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664046	0	36	-1.0	-46.96	305.79	1.17	-45.79
CC1=NC=CN=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664046	1	36	-1.0	-46.99	305.85	1.18	-45.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCC2	REAL250004664047	0	33	-1.0	-38.29	282.06	3.72	-34.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCC2	REAL250004664047	1	33	-1.0	-38.27	282.13	3.72	-34.55
CONC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664048	0	40	-1.0	-59.09	327.42	2.74	-56.35
CONC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664048	1	40	-1.0	-59.11	327.48	2.76	-56.35
CC(C)OC1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004664049	0	42	-1.0	-45.16	339.54	3.05	-42.11
CC(C)OC1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004664049	1	42	-1.0	-45.19	339.60	3.06	-42.13
CC1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664050	0	35	-1.0	-47.06	298.94	4.28	-42.78
CC1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664050	1	35	-1.0	-47.06	299.00	4.30	-42.76
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL250004664051	0	39	-1.0	-46.91	315.54	6.53	-40.38
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL250004664051	1	39	-1.0	-46.90	315.60	6.55	-40.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCCCC2=N1	REAL250004664052	0	38	-1.0	-54.51	312.24	5.48	-49.03
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCCCC2=N1	REAL250004664052	1	38	-1.0	-54.54	312.30	5.49	-49.05
O=C(CCCC1=N[N-]N=N1)NOC1=CC=CC=C1F	REAL250004664053	0	30	-1.0	-53.76	276.79	4.35	-49.41
O=C(CCCC1=NN=N[N-]1)NOC1=CC=CC=C1F	REAL250004664053	1	30	-1.0	-53.80	276.85	4.36	-49.44
C=CC(C)(C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004664054	0	41	-1.0	-46.68	326.06	4.10	-42.58
C=CC(C)(C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004664054	1	41	-1.0	-46.71	326.12	4.11	-42.60
CNC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004664055	0	33	-1.0	-55.52	291.61	-1.08	-56.60
CNC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004664055	1	33	-1.0	-55.51	291.67	-1.07	-56.58
CCC1COCCN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664057	0	44	-1.0	-47.66	342.87	0.20	-47.46
CCC1COCCN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664057	1	44	-1.0	-47.70	342.93	0.22	-47.48
COCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664058	0	41	-1.0	-47.95	327.51	2.10	-45.85
COCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664058	1	41	-1.0	-47.95	327.56	2.11	-45.84
CC1(C)COC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664059	0	39	-1.0	-46.78	316.66	1.93	-44.85
CC1(C)COC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664059	1	39	-1.0	-46.81	316.72	1.94	-44.87
CCN(CC)C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664060	0	38	-1.0	-46.80	316.20	1.95	-44.85
CCN(CC)C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664060	1	38	-1.0	-46.87	316.26	1.96	-44.91
O=C(CCCC1=N[N-]N=N1)N1CCOC(C(F)F)C1	REAL250004664061	0	33	-1.0	-49.02	281.63	2.19	-46.83
O=C(CCCC1=NN=N[N-]1)N1CCOC(C(F)F)C1	REAL250004664061	1	33	-1.0	-49.01	281.69	2.21	-46.80
O=C(CCCC1=N[N-]N=N1)N1CCC2(CS(=O)(=O)C2)C1	REAL250004664062	0	36	-1.0	-53.45	305.87	0.62	-52.83
O=C(CCCC1=NN=N[N-]1)N1CCC2(CS(=O)(=O)C2)C1	REAL250004664062	1	36	-1.0	-53.43	305.93	0.63	-52.80
CCOC(=O)C(C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664063	0	41	-1.0	-50.27	344.21	4.89	-45.38
CCOC(=O)C(C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664063	1	41	-1.0	-50.28	344.27	4.91	-45.37
CC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664064	0	37	-1.0	-53.94	300.87	4.12	-49.82
CC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664064	1	37	-1.0	-53.95	300.93	4.13	-49.82
CC(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664065	0	37	-1.0	-51.10	300.59	4.07	-47.03
CC(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664065	1	37	-1.0	-51.11	300.65	4.09	-47.02
CC(C)(O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664066	0	42	-1.0	-49.11	319.56	2.25	-46.86
CC(C)(O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664066	1	42	-1.0	-49.11	319.61	2.26	-46.85
O=C(CCCC1=N[N-]N=N1)N1CCOC(CCO)C1	REAL250004664067	0	37	-1.0	-48.65	301.44	-0.58	-49.23
O=C(CCCC1=NN=N[N-]1)N1CCOC(CCO)C1	REAL250004664067	1	37	-1.0	-48.68	301.49	-0.56	-49.24
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004664068	0	43	-1.0	-46.62	321.17	5.30	-41.32
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004664068	1	43	-1.0	-46.62	321.23	5.31	-41.31
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)(CO)CC1	REAL250004664069	0	40	-1.0	-48.12	308.52	-0.59	-48.71
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)(CO)CC1	REAL250004664069	1	40	-1.0	-48.12	308.57	-0.57	-48.69
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=NC=CC=C12	REAL250004664070	0	37	-1.0	-47.94	317.01	3.69	-44.25
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=NC=CC=C12	REAL250004664070	1	37	-1.0	-47.93	317.07	3.71	-44.22
O=C(NC1CC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664071	0	33	-1.0	-34.97	289.24	3.09	-31.88
O=C(NC1CC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664071	1	33	-1.0	-34.92	289.31	3.10	-31.82
CCOC1CC2(CC2NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664072	0	40	-1.0	-47.13	333.90	3.27	-43.86
CCOC1CC2(CC2NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664072	1	40	-1.0	-47.17	333.96	3.28	-43.89
CN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664073	0	35	-1.0	-59.42	302.06	6.53	-52.89
CN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664073	1	35	-1.0	-59.41	302.00	6.52	-52.89
CC1=CC(C#N)=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664074	0	39	-1.0	-50.70	336.73	5.08	-45.62
CC1=CC(C#N)=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664074	1	39	-1.0	-50.70	336.79	5.10	-45.60
O=C(CCCC1=N[N-]N=N1)NC[C@]12CCC[C@H]1OCC2	REAL250004664075	0	40	-1.0	-47.80	315.43	2.52	-45.28
O=C(CCCC1=NN=N[N-]1)NC[C@]12CCC[C@H]1OCC2	REAL250004664075	1	40	-1.0	-47.80	315.48	2.54	-45.26
O=C(CCCC1=N[N-]N=N1)NCCC1CNC(=O)C1	REAL250004664076	0	36	-1.0	-54.75	302.21	-0.43	-55.18
O=C(CCCC1=NN=N[N-]1)NCCC1CNC(=O)C1	REAL250004664076	1	36	-1.0	-54.75	302.26	-0.41	-55.16
NC1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004664077	0	28	-1.0	-35.60	252.09	0.77	-34.83
NC1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004664077	1	28	-1.0	-35.55	252.16	0.77	-34.78
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)OCCO2	REAL250004664078	0	38	-1.0	-48.52	315.59	1.27	-47.25
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)OCCO2	REAL250004664078	1	38	-1.0	-48.60	315.65	1.28	-47.32
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664079	0	38	-1.0	-46.56	317.28	4.87	-41.69
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664079	1	38	-1.0	-46.56	317.34	4.89	-41.67
CC1=CC(F)=CC=C1[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664080	0	38	-1.0	-46.58	317.80	4.91	-41.67
CC1=CC(F)=CC=C1[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664080	1	38	-1.0	-46.59	317.86	4.92	-41.67
C=C1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664081	0	39	-1.0	-46.38	313.63	4.33	-42.05
C=C1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664081	1	39	-1.0	-46.38	313.69	4.34	-42.04
C=C1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004664082	0	39	-1.0	-34.95	324.25	4.12	-30.83
C=C1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004664082	1	39	-1.0	-34.92	324.32	4.13	-30.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2)C1	REAL250004664083	0	30	-1.0	-36.85	267.22	3.39	-33.46
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2)C1	REAL250004664083	1	30	-1.0	-36.85	267.29	3.40	-33.45
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004664084	0	38	-1.0	-48.28	317.42	4.04	-44.24
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004664084	1	38	-1.0	-48.28	317.48	4.06	-44.22
O=C(CCCC1=N[N-]N=N1)NCC1=C(F)C=C(F)C=C1F	REAL250004664085	0	32	-1.0	-46.33	296.11	3.59	-42.74
O=C(CCCC1=NN=N[N-]1)NCC1=C(F)C=C(F)C=C1F	REAL250004664085	1	32	-1.0	-46.33	296.17	3.60	-42.73
O=C(CCCC1=N[N-]N=N1)N1CCN2C=CC=C2C1	REAL250004664086	0	34	-1.0	-46.79	281.31	4.59	-42.20
O=C(CCCC1=NN=N[N-]1)N1CCN2C=CC=C2C1	REAL250004664086	1	34	-1.0	-46.83	281.37	4.61	-42.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN2C=CC=C2C1	REAL250004664087	0	34	-1.0	-36.97	288.65	4.87	-32.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN2C=CC=C2C1	REAL250004664087	1	34	-1.0	-36.98	288.72	4.87	-32.11
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	REAL250004664088	0	38	-1.0	-48.70	303.27	2.17	-46.53
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	REAL250004664088	1	38	-1.0	-48.75	303.33	2.19	-46.56
O=C(CCCC1=N[N-]N=N1)NCC1C[C@@H]2COC[C@@H]2O1	REAL250004664089	0	38	-1.0	-47.49	309.01	-0.01	-47.50
O=C(CCCC1=NN=N[N-]1)NCC1C[C@@H]2COC[C@@H]2O1	REAL250004664089	1	38	-1.0	-47.49	309.06	0.00	-47.49
O=C(NCCCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664090	0	31	-1.0	-37.29	285.42	2.08	-35.21
O=C(NCCCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664090	1	31	-1.0	-37.31	285.49	2.09	-35.22
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C#N	REAL250004664092	0	36	-1.0	-49.05	319.10	4.37	-44.68
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C#N	REAL250004664092	1	36	-1.0	-49.04	319.15	4.39	-44.65
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C(F)(F)F	REAL250004664093	0	32	-1.0	-46.88	289.90	3.05	-43.83
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C(F)(F)F	REAL250004664093	1	32	-1.0	-46.94	289.96	3.07	-43.87
O=C(NCCC1CC=CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664094	0	36	-1.0	-35.22	307.96	3.56	-31.66
O=C(NCCC1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664094	1	36	-1.0	-35.23	308.03	3.57	-31.66
CC1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004664095	0	37	-1.0	-48.20	313.21	2.80	-45.40
CC1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004664095	1	37	-1.0	-48.17	313.27	2.82	-45.35
COC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664096	0	38	-1.0	-48.07	317.60	3.30	-44.77
COC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664096	1	38	-1.0	-48.07	317.65	3.31	-44.76
NC(=O)CC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664097	0	36	-1.0	-54.16	304.08	-0.61	-54.77
NC(=O)CC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664097	1	36	-1.0	-54.16	304.14	-0.60	-54.76
N#CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664098	0	33	-1.0	-38.55	284.71	4.13	-34.42
N#CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664098	1	33	-1.0	-38.54	284.78	4.14	-34.40
O=C(CCCC1=N[N-]N=N1)NCC1=CC(C2CC2)=NO1	REAL250004664099	0	35	-1.0	-46.95	306.17	3.14	-43.81
O=C(CCCC1=NN=N[N-]1)NCC1=CC(C2CC2)=NO1	REAL250004664099	1	35	-1.0	-46.94	306.23	3.15	-43.79
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CCCO2)C1	REAL250004664100	0	40	-1.0	-51.40	320.76	3.76	-47.64
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CCCO2)C1	REAL250004664100	1	40	-1.0	-51.36	320.82	3.77	-47.59
N#CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004664101	0	31	-1.0	-47.75	287.95	2.68	-45.07
N#CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004664101	1	31	-1.0	-47.78	288.00	2.70	-45.08
O=C(CCCC1=N[N-]N=N1)NNC1=CC=NC2=CC=CN=C21	REAL250004664102	0	35	-1.0	-52.79	305.25	1.68	-51.11
O=C(CCCC1=NN=N[N-]1)NNC1=CC=NC2=CC=CN=C21	REAL250004664102	1	35	-1.0	-52.82	305.31	1.70	-51.12
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CC(=O)NC2=C1	REAL250004664103	0	34	-1.0	-53.06	294.98	1.83	-51.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CC(=O)NC2=C1	REAL250004664103	1	34	-1.0	-53.06	295.04	1.84	-51.22
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=CC=CC=C21	REAL250004664104	0	34	-1.0	-48.77	302.44	2.85	-45.92
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=CC=CC=C21	REAL250004664104	1	34	-1.0	-48.79	302.49	2.87	-45.92
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCO[C@H]1C1CC1	REAL250004664105	0	37	-1.0	-46.34	305.30	2.48	-43.86
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCO[C@H]1C1CC1	REAL250004664105	1	37	-1.0	-46.36	305.36	2.50	-43.86
CC(C)(C)OC[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664106	0	45	-1.0	-47.48	348.52	4.90	-42.58
CC(C)(C)OC[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664106	1	45	-1.0	-47.51	348.58	4.91	-42.60
CC(C)(C)OC[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664107	0	45	-1.0	-47.50	348.56	4.91	-42.59
CC(C)(C)OC[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664107	1	45	-1.0	-47.52	348.62	4.92	-42.60
CC1=CC(Cl)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004664108	0	34	-1.0	-46.03	304.46	4.21	-41.82
CC1=CC(Cl)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004664108	1	34	-1.0	-46.07	304.52	4.23	-41.84
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004664109	0	34	-1.0	-46.11	305.36	4.08	-42.03
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004664109	1	34	-1.0	-46.10	305.42	4.09	-42.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CO1	REAL250004664110	0	31	-1.0	-46.84	274.67	-0.90	-47.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CO1	REAL250004664110	1	31	-1.0	-46.83	274.73	-0.89	-47.72
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CO1	REAL250004664111	0	31	-1.0	-37.89	285.26	-1.11	-39.00
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CO1	REAL250004664111	1	31	-1.0	-37.87	285.33	-1.10	-38.97
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL250004664113	0	42	-1.0	-48.73	333.04	7.23	-41.50
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL250004664113	1	42	-1.0	-48.76	333.10	7.25	-41.51
COC(=O)N[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664114	0	37	-1.0	-49.60	312.88	0.66	-48.94
COC(=O)N[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664114	1	37	-1.0	-49.64	312.93	0.67	-48.97
COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664115	0	35	-1.0	-55.30	300.91	2.53	-52.77
COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664115	1	35	-1.0	-55.30	300.97	2.55	-52.75
O=C(NC1(C2CC2)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664116	0	36	-1.0	-35.79	299.45	3.71	-32.08
O=C(NC1(C2CC2)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664116	1	36	-1.0	-35.76	299.52	3.72	-32.04
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004664117	0	34	-1.0	-49.76	275.66	2.17	-47.59
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCO[C@H]2C1	REAL250004664117	1	34	-1.0	-49.76	275.72	2.18	-47.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004664118	0	34	-1.0	-35.73	283.28	2.45	-33.28
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CCO[C@H]2C1	REAL250004664118	1	34	-1.0	-35.74	283.35	2.45	-33.29
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CC[C@]2(CF)C1	REAL250004664119	0	36	-1.0	-50.86	294.41	4.67	-46.19
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CC[C@]2(CF)C1	REAL250004664119	1	36	-1.0	-50.88	294.47	4.70	-46.18
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=C1COCC2	REAL250004664120	0	34	-1.0	-54.88	289.39	0.97	-53.91
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=C1COCC2	REAL250004664120	1	34	-1.0	-54.90	289.45	0.99	-53.91
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@@H](C)O	REAL250004664121	0	35	-1.0	-46.37	293.86	0.14	-46.23
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@@H](C)O	REAL250004664121	1	35	-1.0	-46.36	293.92	0.15	-46.21
CC1(C)COC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664122	0	42	-1.0	-49.21	337.57	2.66	-46.55
CC1(C)COC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664122	1	42	-1.0	-49.21	337.63	2.68	-46.53
COC(=O)[C@@H](F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664123	0	31	-1.0	-50.91	281.24	1.39	-49.52
COC(=O)[C@@H](F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664123	1	31	-1.0	-50.91	281.30	1.40	-49.51
COC(=O)[C@@H](F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664124	0	31	-1.0	-38.73	291.83	1.17	-37.56
COC(=O)[C@@H](F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664124	1	31	-1.0	-38.72	291.90	1.18	-37.54
O=C(CCCC1=N[N-]N=N1)NCC1(C2(O)CCC2)CCC1	REAL250004664125	0	43	-1.0	-48.85	331.18	1.67	-47.18
O=C(CCCC1=NN=N[N-]1)NCC1(C2(O)CCC2)CCC1	REAL250004664125	1	43	-1.0	-48.90	331.24	1.68	-47.22
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1COC[C@@H]1O	REAL250004664126	0	34	-1.0	-50.51	284.37	-2.59	-53.10
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1COC[C@@H]1O	REAL250004664126	1	34	-1.0	-50.49	284.43	-2.58	-53.07
O=C(NC[C@@H]1COC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664127	0	34	-1.0	-38.18	295.00	-2.82	-41.00
O=C(NC[C@@H]1COC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664127	1	34	-1.0	-38.18	295.07	-2.82	-41.00
CCOC(=O)[C@H](COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004664128	0	38	-1.0	-45.41	328.06	1.49	-43.92
CCOC(=O)[C@H](COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004664128	1	38	-1.0	-45.39	328.12	1.51	-43.88
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C#N)=C1	REAL250004664129	0	36	-1.0	-50.85	317.41	4.70	-46.15
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C#N)=C1	REAL250004664129	1	36	-1.0	-50.87	317.46	4.72	-46.15
COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1OC	REAL250004664130	0	37	-1.0	-47.41	314.17	2.79	-44.62
COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1OC	REAL250004664130	1	37	-1.0	-47.44	314.23	2.80	-44.64
O=C(NCC1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664131	0	36	-1.0	-34.83	305.63	3.69	-31.14
O=C(NCC1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664131	1	36	-1.0	-34.83	305.69	3.70	-31.13
C[C@H]1[C@@H](O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664135	0	36	-1.0	-49.32	280.16	1.09	-48.23
C[C@H]1[C@@H](O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664135	1	36	-1.0	-49.28	280.21	1.10	-48.18
C[C@H]1[C@@H](O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664136	0	36	-1.0	-37.93	287.79	1.35	-36.58
C[C@H]1[C@@H](O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664136	1	36	-1.0	-37.88	287.85	1.36	-36.52
CSC1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664137	0	42	-1.0	-49.60	335.67	4.64	-44.96
CSC1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664137	1	42	-1.0	-49.61	335.73	4.66	-44.95
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=C(CCC2)S1	REAL250004664138	0	35	-1.0	-48.05	309.71	2.64	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=C(CCC2)S1	REAL250004664138	1	35	-1.0	-48.08	309.77	2.65	-45.43
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CSC[C@@H]2C1	REAL250004664139	0	34	-1.0	-47.76	285.75	4.23	-43.53
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CSC[C@@H]2C1	REAL250004664139	1	34	-1.0	-47.75	285.80	4.25	-43.50
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C(O)C2	REAL250004664140	0	37	-1.0	-50.19	290.95	1.43	-48.76
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C(O)C2	REAL250004664140	1	37	-1.0	-50.19	291.01	1.45	-48.74
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCC(C1)S2	REAL250004664141	0	40	-1.0	-48.80	316.54	4.48	-44.32
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCC(C1)S2	REAL250004664141	1	40	-1.0	-48.77	316.59	4.49	-44.28
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1C[C@H]1C1CC1	REAL250004664142	0	39	-1.0	-46.62	325.85	5.05	-41.57
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1C[C@H]1C1CC1	REAL250004664142	1	39	-1.0	-46.66	325.90	5.06	-41.60
O=C(NCC[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664143	0	39	-1.0	-34.86	336.45	4.85	-30.01
O=C(NCC[C@@H]1C[C@H]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664143	1	39	-1.0	-34.87	336.52	4.85	-30.02
CC1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664144	0	39	-1.0	-47.11	310.92	0.57	-46.54
CC1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664144	1	39	-1.0	-47.13	310.98	0.59	-46.54
CC1=NC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004664145	0	37	-1.0	-52.25	315.12	1.80	-50.45
CC1=NC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004664145	1	37	-1.0	-52.24	315.17	1.82	-50.42
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	REAL250004664146	0	37	-1.0	-51.10	293.77	1.31	-49.79
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	REAL250004664146	1	37	-1.0	-51.16	293.82	1.32	-49.84
O=C(CCCC1=N[N-]N=N1)NCC[C@H]1CCCO1	REAL250004664147	0	36	-1.0	-49.48	297.51	1.50	-47.98
O=C(CCCC1=NN=N[N-]1)NCC[C@H]1CCCO1	REAL250004664147	1	36	-1.0	-49.55	297.57	1.51	-48.04
O=C(NCC[C@H]1CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664148	0	36	-1.0	-37.27	308.04	1.38	-35.89
O=C(NCC[C@H]1CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664148	1	36	-1.0	-37.22	308.10	1.38	-35.84
COC(=O)CC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664149	0	38	-1.0	-51.68	321.86	3.34	-48.34
COC(=O)CC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664149	1	38	-1.0	-51.70	321.92	3.35	-48.35
CC1CC1C1CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664150	0	39	-1.0	-46.17	319.81	4.74	-41.43
CC1CC1C1CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664150	1	39	-1.0	-46.21	319.87	4.75	-41.46
CC1CC1C1CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664151	0	39	-1.0	-34.73	330.40	4.52	-30.21
CC1CC1C1CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664151	1	39	-1.0	-34.65	330.47	4.53	-30.12
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCC2)CO1	REAL250004664152	0	43	-1.0	-46.52	339.85	3.36	-43.16
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCC2)CO1	REAL250004664152	1	43	-1.0	-46.52	339.91	3.38	-43.14
O=C(CCCC1=N[N-]N=N1)NCC12CC1CCCC2	REAL250004664153	0	39	-1.0	-46.14	306.68	4.46	-41.68
O=C(CCCC1=NN=N[N-]1)NCC12CC1CCCC2	REAL250004664153	1	39	-1.0	-46.12	306.74	4.48	-41.64
O=C(NCC12CC1CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664154	0	39	-1.0	-34.62	317.62	4.24	-30.38
O=C(NCC12CC1CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664154	1	39	-1.0	-34.57	317.69	4.24	-30.33
N#CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664155	0	33	-1.0	-49.52	305.61	3.88	-45.64
N#CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664155	1	33	-1.0	-49.55	305.66	3.90	-45.65
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664156	0	34	-1.0	-44.91	286.88	2.02	-42.89
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664156	1	34	-1.0	-44.92	286.94	2.04	-42.88
CC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC	REAL250004664157	0	34	-1.0	-37.04	297.45	1.81	-35.23
CC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC	REAL250004664157	1	34	-1.0	-37.10	297.52	1.82	-35.28
O=C(CCCC1=N[N-]N=N1)NC[C@]12C[C@H]1COC2	REAL250004664158	0	34	-1.0	-46.48	284.88	1.38	-45.10
O=C(CCCC1=NN=N[N-]1)NC[C@]12C[C@H]1COC2	REAL250004664158	1	34	-1.0	-46.52	284.94	1.40	-45.12
O=C(NC[C@]12C[C@H]1COC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664159	0	34	-1.0	-35.91	295.37	1.19	-34.72
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CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004664160	0	38	-1.0	-45.74	311.78	4.83	-40.91
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004664160	1	38	-1.0	-45.76	311.84	4.84	-40.92
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664161	0	35	-1.0	-34.91	294.64	2.98	-31.93
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664161	1	35	-1.0	-34.89	294.71	2.98	-31.91
CN(C)C1=CC=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664162	1	39	-1.0	-48.60	325.45	2.04	-46.56
C=CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664163	0	41	-1.0	-50.61	350.14	4.56	-46.05
C=CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664163	1	41	-1.0	-50.64	350.20	4.57	-46.07
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O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCCO1	REAL250004664164	1	40	-1.0	-49.54	326.89	-0.63	-50.17
O=C(CCCC1=N[N-]N=N1)NCC1C2(CC2)C12CC2	REAL250004664165	0	37	-1.0	-46.90	315.85	5.00	-41.90
O=C(CCCC1=NN=N[N-]1)NCC1C2(CC2)C12CC2	REAL250004664165	1	37	-1.0	-46.95	315.91	5.01	-41.94
O=C(NCC1C2(CC2)C12CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664166	0	37	-1.0	-35.25	326.44	4.78	-30.47
O=C(NCC1C2(CC2)C12CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664166	1	37	-1.0	-35.25	326.51	4.79	-30.46
O=C(CCCC1=N[N-]N=N1)NC1COC2(CCCC2)C1	REAL250004664167	0	40	-1.0	-47.87	315.65	2.59	-45.28
O=C(CCCC1=NN=N[N-]1)NC1COC2(CCCC2)C1	REAL250004664167	1	40	-1.0	-47.89	315.71	2.61	-45.28
O=C(CCCC1=N[N-]N=N1)NC(CCO)C(F)(F)F	REAL250004664168	0	32	-1.0	-47.87	286.92	-0.80	-48.67
O=C(CCCC1=NN=N[N-]1)NC(CCO)C(F)(F)F	REAL250004664168	1	32	-1.0	-47.86	286.98	-0.78	-48.64
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2CC21	REAL250004664169	0	39	-1.0	-46.40	313.47	4.51	-41.89
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2CC21	REAL250004664169	1	39	-1.0	-46.42	313.52	4.53	-41.89
O=C(NCCC1CCC2CC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664170	0	39	-1.0	-34.88	324.06	4.32	-30.56
O=C(NCCC1CCC2CC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664170	1	39	-1.0	-34.86	324.13	4.32	-30.54
CN1C=NC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004664171	0	38	-1.0	-52.82	327.47	4.82	-48.00
CN1C=NC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004664171	1	38	-1.0	-52.84	327.53	4.83	-48.01
COC(=O)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664172	0	40	-1.0	-47.37	322.73	3.21	-44.16
COC(=O)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664172	1	40	-1.0	-47.41	322.78	3.23	-44.18
CC(CNC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004664173	0	40	-1.0	-46.26	307.53	3.37	-42.89
CC(CNC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004664173	1	40	-1.0	-46.32	307.59	3.38	-42.94
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004664174	0	40	-1.0	-34.74	318.12	3.15	-31.59
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004664174	1	40	-1.0	-34.69	318.19	3.16	-31.53
O=C(CCCC1=N[N-]N=N1)NCC1=CSC=C1Cl	REAL250004664175	0	29	-1.0	-46.22	284.50	2.86	-43.36
O=C(CCCC1=NN=N[N-]1)NCC1=CSC=C1Cl	REAL250004664175	1	29	-1.0	-46.19	284.56	2.87	-43.32
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004664176	0	42	-1.0	-44.78	329.82	4.62	-40.16
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004664176	1	42	-1.0	-44.79	329.88	4.63	-40.16
O=C(CCCC1=N[N-]N=N1)N(CC(F)F)C1CCC1	REAL250004664177	0	35	-1.0	-50.65	284.34	4.72	-45.93
O=C(CCCC1=NN=N[N-]1)N(CC(F)F)C1CCC1	REAL250004664177	1	35	-1.0	-50.66	284.40	4.73	-45.93
CCCCCCN(O)C(=O)CCCC1=N[N-]N=N1	REAL250004664178	0	38	-1.0	-46.59	314.62	3.00	-43.59
CCCCCCN(O)C(=O)CCCC1=NN=N[N-]1	REAL250004664178	1	38	-1.0	-46.65	314.68	3.01	-43.64
O=C(CCCC1=N[N-]N=N1)N1CCCN2N=NC=C2C1	REAL250004664179	0	35	-1.0	-55.34	288.33	2.33	-53.01
O=C(CCCC1=NN=N[N-]1)N1CCCN2N=NC=C2C1	REAL250004664179	1	35	-1.0	-55.36	288.39	2.35	-53.01
O=C(CCCC1=N[N-]N=N1)NCCN1CCNC1=O	REAL250004664180	0	35	-1.0	-57.25	299.23	-0.85	-58.10
O=C(CCCC1=NN=N[N-]1)NCCN1CCNC1=O	REAL250004664180	1	35	-1.0	-57.23	299.29	-0.84	-58.07
COCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004664181	0	43	-1.0	-45.84	342.39	1.45	-44.39
COCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004664181	1	43	-1.0	-45.86	342.45	1.46	-44.40
CN1CC(CCNC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004664182	0	39	-1.0	-55.02	323.65	1.85	-53.17
CN1CC(CCNC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004664182	1	39	-1.0	-55.04	323.71	1.87	-53.17
O=C(CCCC1=N[N-]N=N1)N1CCC(C2OCCO2)C1	REAL250004664183	0	38	-1.0	-49.67	311.86	2.38	-47.29
O=C(CCCC1=NN=N[N-]1)N1CCC(C2OCCO2)C1	REAL250004664183	1	38	-1.0	-49.69	311.91	2.39	-47.30
COC(=O)C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C	REAL250004664184	0	41	-1.0	-55.84	336.43	4.76	-51.08
COC(=O)C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C	REAL250004664184	1	41	-1.0	-55.85	336.49	4.77	-51.08
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1CCC[C@H]1O	REAL250004664185	0	36	-1.0	-52.10	287.80	1.00	-51.10
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004664185	1	36	-1.0	-52.09	287.85	1.02	-51.07
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@H]1CCC[C@H]1O	REAL250004664186	0	36	-1.0	-38.82	296.03	1.39	-37.43
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1CCC[C@H]1O	REAL250004664186	1	36	-1.0	-38.76	296.11	1.40	-37.36
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CCC2)CO1	REAL250004664187	0	40	-1.0	-46.91	323.42	2.50	-44.41
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CCC2)CO1	REAL250004664187	1	40	-1.0	-46.95	323.48	2.52	-44.43
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC2=C(F)C=CC=C21	REAL250004664189	0	36	-1.0	-47.40	306.23	4.72	-42.68
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC2=C(F)C=CC=C21	REAL250004664189	1	36	-1.0	-47.43	306.29	4.74	-42.69
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1COC[C@H]1O	REAL250004664190	0	34	-1.0	-51.35	277.96	-1.66	-53.01
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1COC[C@H]1O	REAL250004664190	1	34	-1.0	-51.34	278.02	-1.65	-52.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@H]1COC[C@H]1O	REAL250004664191	0	34	-1.0	-37.81	286.97	-1.20	-39.01
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1COC[C@H]1O	REAL250004664191	1	34	-1.0	-37.76	287.03	-1.17	-38.93
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=C(F)C=CC=C21	REAL250004664192	0	36	-1.0	-47.30	308.44	4.79	-42.51
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=C(F)C=CC=C21	REAL250004664192	1	36	-1.0	-47.27	308.50	4.80	-42.47
O=C(NC1CCC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664193	0	36	-1.0	-35.04	297.95	3.38	-31.66
O=C(NC1CCC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664193	1	36	-1.0	-35.04	298.01	3.38	-31.66
O=C(NCCOC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664194	0	33	-1.0	-37.21	295.59	1.09	-36.12
O=C(NCCOC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664194	1	33	-1.0	-37.14	295.65	1.10	-36.04
C[C@@H]1C[C@H](C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664195	0	41	-1.0	-47.11	307.40	5.44	-41.67
C[C@@H]1C[C@H](C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664195	1	41	-1.0	-47.16	307.46	5.46	-41.70
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCCC1	REAL250004664196	0	42	-1.0	-47.93	326.00	2.90	-45.03
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCCC1	REAL250004664196	1	42	-1.0	-47.94	326.06	2.91	-45.03
O=C(CCCC1=N[N-]N=N1)N1CC[C@@]2(CO)CCC[C@@H]12	REAL250004664197	0	40	-1.0	-47.83	311.66	1.88	-45.95
O=C(CCCC1=NN=N[N-]1)N1CC[C@@]2(CO)CCC[C@@H]12	REAL250004664197	1	40	-1.0	-47.80	311.71	1.90	-45.90
O=C(CCCC1=N[N-]N=N1)NCCC1(C2=CC=CC=C2)CC1	REAL250004664199	0	42	-1.0	-48.68	352.16	6.21	-42.47
O=C(CCCC1=NN=N[N-]1)NCCC1(C2=CC=CC=C2)CC1	REAL250004664199	1	42	-1.0	-48.70	352.21	6.23	-42.47
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664200	0	36	-1.0	-35.15	314.83	4.04	-31.11
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664200	1	36	-1.0	-35.15	314.90	4.05	-31.10
O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H]2CC3=CC=CC=C3[C@@H]12	REAL250004664201	0	37	-1.0	-49.28	313.01	5.42	-43.86
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H]2CC3=CC=CC=C3[C@@H]12	REAL250004664201	1	37	-1.0	-49.31	313.07	5.43	-43.88
CC(C)CC1=COC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664202	0	37	-1.0	-49.59	314.46	2.35	-47.24
CC(C)CC1=COC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664202	1	37	-1.0	-49.59	314.52	2.37	-47.22
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H](CO)C1	REAL250004664203	0	42	-1.0	-47.57	332.70	1.19	-46.38
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H](CO)C1	REAL250004664203	1	42	-1.0	-47.59	332.75	1.20	-46.39
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004664204	0	35	-1.0	-56.28	297.71	-0.33	-56.61
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004664204	1	35	-1.0	-56.32	297.77	-0.32	-56.64
C=CCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664205	0	40	-1.0	-47.62	316.26	2.38	-45.24
C=CCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664205	1	40	-1.0	-47.61	316.31	2.39	-45.22
CN(CCCF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664206	0	31	-1.0	-37.32	273.04	3.88	-33.44
CN(CCCF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664206	1	31	-1.0	-37.29	273.11	3.91	-33.38
CCC(CN1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664207	0	44	-1.0	-46.99	341.83	0.64	-46.35
CCC(CN1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664207	1	44	-1.0	-46.98	341.89	0.65	-46.33
CC(C)(C=CCl)NC(=O)CCCC1=N[N-]N=N1	REAL250004664208	0	32	-1.0	-44.65	278.39	3.09	-41.56
CC(C)(C=CCl)NC(=O)CCCC1=NN=N[N-]1	REAL250004664208	1	32	-1.0	-44.61	278.45	3.11	-41.50
COC1CCCN(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664209	0	38	-1.0	-47.57	310.32	1.38	-46.19
COC1CCCN(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664209	1	38	-1.0	-47.62	310.38	1.40	-46.22
C#CCN1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664211	1	39	-1.0	-48.41	323.00	1.92	-46.49
C#CCN1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664211	1	39	-1.0	-48.39	323.06	1.93	-46.46
CC1=NC(C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004664212	0	31	-1.0	-47.44	279.36	1.97	-45.47
CC1=NC(C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004664212	1	31	-1.0	-47.49	279.42	1.98	-45.51
O=C(CCCC1=N[N-]N=N1)N(O)CC1=CC=C(F)C=C1	REAL250004664213	0	33	-1.0	-48.59	292.11	2.97	-45.62
O=C(CCCC1=NN=N[N-]1)N(O)CC1=CC=C(F)C=C1	REAL250004664213	1	33	-1.0	-48.63	292.17	2.98	-45.65
CC1=NOC(C(C)C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664214	0	37	-1.0	-48.47	311.32	3.55	-44.92
CC1=NOC(C(C)C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664214	1	37	-1.0	-48.47	311.38	3.57	-44.90
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC(=O)N1	REAL250004664215	0	36	-1.0	-51.48	297.45	0.29	-51.19
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC(=O)N1	REAL250004664215	1	36	-1.0	-51.50	297.50	0.31	-51.19
O=C(CCCC1=N[N-]N=N1)N1CC(F)(C2CC2)C1	REAL250004664216	0	33	-1.0	-49.35	285.10	4.34	-45.01
O=C(CCCC1=NN=N[N-]1)N1CC(F)(C2CC2)C1	REAL250004664216	1	33	-1.0	-49.35	285.15	4.35	-45.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(F)(C2CC2)C1	REAL250004664217	0	33	-1.0	-38.25	290.29	4.05	-34.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(F)(C2CC2)C1	REAL250004664217	1	33	-1.0	-38.22	290.35	4.06	-34.16
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCCC2)N=C1	REAL250004664218	0	39	-1.0	-51.71	318.16	3.77	-47.94
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCCC2)N=C1	REAL250004664218	1	39	-1.0	-51.68	318.10	3.75	-47.93
N#CCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004664219	0	29	-1.0	-52.18	275.34	2.17	-50.01
N#CCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004664219	1	29	-1.0	-52.19	275.40	2.18	-50.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004664220	0	35	-1.0	-48.88	305.05	4.46	-44.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004664220	1	35	-1.0	-48.87	305.10	4.47	-44.40
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004664221	0	40	-1.0	-46.65	306.38	4.02	-42.63
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004664221	1	40	-1.0	-46.68	306.44	4.04	-42.64
CC[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004664222	0	40	-1.0	-34.98	314.75	3.68	-31.30
CC[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004664222	1	40	-1.0	-34.97	314.82	3.69	-31.28
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCSC1	REAL250004664223	0	37	-1.0	-46.57	308.44	1.75	-44.82
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCSC1	REAL250004664223	1	37	-1.0	-46.55	308.49	1.76	-44.79
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004664224	0	36	-1.0	-49.14	285.35	2.99	-46.15
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004664224	1	36	-1.0	-49.15	285.40	3.00	-46.15
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004664225	0	36	-1.0	-37.72	290.40	3.63	-34.09
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004664225	1	36	-1.0	-37.65	290.47	3.65	-34.00
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=N1	REAL250004664226	0	34	-1.0	-50.23	295.52	0.84	-49.39
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=N1	REAL250004664226	1	34	-1.0	-50.19	295.57	0.85	-49.34
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN(C)N=N1	REAL250004664227	0	34	-1.0	-43.77	306.11	0.64	-43.13
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN(C)N=N1	REAL250004664227	1	34	-1.0	-43.69	306.18	0.65	-43.04
O=C(CCCC1=N[N-]N=N1)NCC1=C(O)C=CC=C1F	REAL250004664228	0	33	-1.0	-50.40	294.08	0.70	-49.70
O=C(CCCC1=NN=N[N-]1)NCC1=C(O)C=CC=C1F	REAL250004664228	1	33	-1.0	-50.43	294.13	0.71	-49.72
COC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664229	0	33	-1.0	-53.14	286.39	-0.04	-53.18
COC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664229	1	33	-1.0	-53.14	286.34	-0.06	-53.20
O=C(CCCC1=N[N-]N=N1)NC(C1=NC=CC=N1)C1CC1	REAL250004664230	0	37	-1.0	-49.73	315.01	2.88	-46.85
O=C(CCCC1=NN=N[N-]1)NC(C1=NC=CC=N1)C1CC1	REAL250004664230	1	37	-1.0	-49.73	315.06	2.90	-46.83
CC1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664231	0	36	-1.0	-49.33	285.02	2.83	-46.50
CC1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664231	1	36	-1.0	-49.34	285.07	2.84	-46.50
CC1COCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664232	0	36	-1.0	-37.68	287.78	3.47	-34.21
CC1COCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664232	1	36	-1.0	-37.65	287.83	3.47	-34.18
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004664233	0	32	-1.0	-49.88	288.45	4.47	-45.41
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004664233	1	32	-1.0	-49.90	288.51	4.48	-45.42
CCN1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004664234	0	39	-1.0	-58.17	317.54	2.31	-55.86
CCN1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004664234	1	39	-1.0	-58.20	317.60	2.33	-55.87
CC1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664235	0	33	-1.0	-35.34	284.93	0.43	-34.91
CC1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664235	1	33	-1.0	-35.35	285.00	0.43	-34.92
COC(C)(C)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664236	0	38	-1.0	-45.65	300.63	1.72	-43.93
COC(C)(C)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664236	1	38	-1.0	-45.65	300.69	1.73	-43.92
COC(C)(C)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664237	0	38	-1.0	-35.89	311.44	1.49	-34.40
COC(C)(C)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664237	1	38	-1.0	-35.84	311.51	1.51	-34.33
COC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664238	0	35	-1.0	-54.72	294.72	4.28	-50.44
COC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664238	1	35	-1.0	-54.71	294.77	4.30	-50.41
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=N1)C1CC1	REAL250004664239	0	38	-1.0	-46.12	318.62	3.91	-42.21
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=N1)C1CC1	REAL250004664239	1	38	-1.0	-46.17	318.67	3.93	-42.24
CC(C)OC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004664240	0	43	-1.0	-45.94	341.00	1.46	-44.48
CC(C)OC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004664240	1	43	-1.0	-45.99	341.05	1.47	-44.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC12CCC2	REAL250004664241	0	36	-1.0	-37.05	290.80	4.88	-32.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC12CCC2	REAL250004664241	1	36	-1.0	-37.00	290.87	4.89	-32.11
CC(C)(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004664242	0	40	-1.0	-53.11	325.84	5.35	-47.76
CC(C)(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004664242	1	40	-1.0	-53.09	325.78	5.33	-47.76
COC(=O)[C@@H]1CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004664243	0	35	-1.0	-48.56	296.31	3.26	-45.30
COC(=O)[C@@H]1CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004664243	1	35	-1.0	-48.57	296.37	3.28	-45.29
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664244	0	37	-1.0	-50.18	315.83	3.21	-46.97
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664244	1	37	-1.0	-50.21	315.89	3.23	-46.98
COC(=O)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664245	0	37	-1.0	-44.75	301.65	2.65	-42.10
COC(=O)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664245	1	37	-1.0	-44.74	301.70	2.66	-42.08
COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004664246	0	39	-1.0	-52.74	315.84	5.65	-47.09
COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004664246	1	39	-1.0	-52.76	315.90	5.67	-47.09
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)C1	REAL250004664247	0	41	-1.0	-50.88	325.99	4.88	-46.00
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)C1	REAL250004664247	1	41	-1.0	-50.91	326.05	4.90	-46.01
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664248	0	36	-1.0	-34.71	304.20	3.79	-30.92
O=C(NC[C@]12C[C@H]1CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664248	1	36	-1.0	-34.70	304.27	3.79	-30.91
O=C(CCCC1=N[N-]N=N1)NCC1CCC=CCC1	REAL250004664249	0	39	-1.0	-46.42	307.23	4.38	-42.04
O=C(CCCC1=NN=N[N-]1)NCC1CCC=CCC1	REAL250004664249	1	39	-1.0	-46.39	307.28	4.39	-42.00
O=C(NCC1CCC=CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664250	0	39	-1.0	-34.86	318.01	4.15	-30.71
O=C(NCC1CCC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664250	1	39	-1.0	-34.89	318.08	4.17	-30.72
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]2C[C@H]21	REAL250004664251	0	39	-1.0	-48.25	327.72	3.88	-44.37
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]2C[C@H]21	REAL250004664251	1	39	-1.0	-48.25	327.78	3.90	-44.35
COCC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664252	0	37	-1.0	-46.12	295.37	0.96	-45.16
COCC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664252	1	37	-1.0	-46.13	295.42	0.97	-45.16
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC1CC1	REAL250004664253	0	40	-1.0	-46.53	312.11	3.98	-42.55
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC1CC1	REAL250004664253	1	40	-1.0	-46.56	312.17	3.99	-42.57
O=C(NC1CSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664254	0	27	-1.0	-35.13	256.43	1.18	-33.95
O=C(NC1CSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664254	1	27	-1.0	-35.09	256.50	1.19	-33.90
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664255	0	33	-1.0	-38.01	288.73	-0.96	-38.97
O=C(N[C@H]1C[C@H](CO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664255	1	33	-1.0	-37.98	288.80	-0.96	-38.94
CC1=CC=C(NCCNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004664256	0	39	-1.0	-50.39	330.45	2.14	-48.25
CC1=CC=C(NCCNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004664256	1	39	-1.0	-50.36	330.50	2.15	-48.21
CC1=CC=CC(NCCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664257	0	39	-1.0	-50.74	330.60	2.11	-48.63
CC1=CC=CC(NCCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664257	1	39	-1.0	-50.83	330.66	2.13	-48.70
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2(CCC2)O1	REAL250004664258	0	43	-1.0	-50.30	345.24	3.59	-46.71
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2(CCC2)O1	REAL250004664258	1	43	-1.0	-50.30	345.29	3.60	-46.70
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C2)C1	REAL250004664259	0	39	-1.0	-46.63	289.08	5.53	-41.10
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C2)C1	REAL250004664259	1	39	-1.0	-46.65	289.13	5.54	-41.11
O=C(NC1CC2CCC(C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664260	0	39	-1.0	-36.06	299.67	5.33	-30.73
O=C(NC1CC2CCC(C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664260	1	39	-1.0	-36.06	299.74	5.33	-30.73
O=C(CCCC1=N[N-]N=N1)NC1CC2C=CC1CC2	REAL250004664261	0	37	-1.0	-46.10	293.65	4.09	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CC2C=CC1CC2	REAL250004664261	1	37	-1.0	-46.12	293.71	4.11	-42.01
O=C(NC1CC2C=CC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664262	0	37	-1.0	-34.94	302.08	3.94	-31.00
O=C(NC1CC2C=CC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664262	1	37	-1.0	-34.92	302.15	3.95	-30.97
COCCN(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664263	0	43	-1.0	-49.68	349.60	2.97	-46.71
COCCN(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664263	1	43	-1.0	-49.69	349.66	2.98	-46.71
CC[C@@H]1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664264	0	39	-1.0	-59.80	302.69	1.41	-58.39
CC[C@@H]1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664264	1	39	-1.0	-59.84	302.75	1.42	-58.42
CC[C@H]1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664265	0	39	-1.0	-59.87	302.65	1.40	-58.47
CC[C@H]1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664265	1	39	-1.0	-59.84	302.70	1.41	-58.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NOC=C2)C=C1	REAL250004664266	0	35	-1.0	-50.59	307.71	4.33	-46.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NOC=C2)C=C1	REAL250004664266	1	35	-1.0	-50.60	307.65	4.32	-46.28
O=C(CCCC1=N[N-]N=N1)NCCOC1CCOCC1	REAL250004664267	0	40	-1.0	-48.64	327.72	0.80	-47.84
O=C(CCCC1=NN=N[N-]1)NCCOC1CCOCC1	REAL250004664267	1	40	-1.0	-48.66	327.78	0.81	-47.85
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004664268	0	35	-1.0	-46.66	305.81	4.19	-42.47
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004664268	1	35	-1.0	-46.72	305.86	4.20	-42.52
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=CC=C1)C1CC1	REAL250004664269	0	42	-1.0	-48.52	342.59	7.67	-40.85
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=CC=C1)C1CC1	REAL250004664269	1	42	-1.0	-48.53	342.65	7.68	-40.85
O=C(NC1CC2C=CC1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664270	0	32	-1.0	-36.79	281.20	0.82	-35.97
O=C(NC1CC2C=CC1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664270	1	32	-1.0	-36.80	281.28	0.82	-35.98
O=C(CCCC1=N[N-]N=N1)NCCOC1CCOC1	REAL250004664271	0	37	-1.0	-48.25	310.05	-0.02	-48.27
O=C(CCCC1=NN=N[N-]1)NCCOC1CCOC1	REAL250004664271	1	37	-1.0	-48.24	310.11	0.00	-48.24
O=C(CCCC1=N[N-]N=N1)NCC1=NOC2=C1COCC2	REAL250004664272	0	36	-1.0	-48.59	308.39	1.16	-47.43
O=C(CCCC1=NN=N[N-]1)NCC1=NOC2=C1COCC2	REAL250004664272	1	36	-1.0	-48.58	308.45	1.17	-47.41
CCOCCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004664273	0	39	-1.0	-49.57	330.11	0.75	-48.82
CCOCCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004664273	1	39	-1.0	-49.54	330.16	0.76	-48.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCC2	REAL250004664274	0	37	-1.0	-49.32	314.83	3.30	-46.02
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCC2	REAL250004664274	1	37	-1.0	-49.30	314.89	3.32	-45.98
O=C(CCCC1=N[N-]N=N1)N1CC(OC(F)(F)F)C1	REAL250004664275	0	30	-1.0	-46.30	279.31	1.63	-44.67
O=C(CCCC1=NN=N[N-]1)N1CC(OC(F)(F)F)C1	REAL250004664275	1	30	-1.0	-46.34	279.36	1.64	-44.70
O=C(CCCC1=N[N-]N=N1)NC1CC(O)C12CCOCC2	REAL250004664276	0	41	-1.0	-50.83	323.57	-0.70	-51.53
O=C(CCCC1=NN=N[N-]1)NC1CC(O)C12CCOCC2	REAL250004664276	1	41	-1.0	-50.82	323.62	-0.69	-51.51
CC1=CC(F)=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004664277	0	35	-1.0	-48.57	311.11	4.20	-44.37
CC1=CC(F)=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004664277	1	35	-1.0	-48.58	311.17	4.21	-44.37
CC(C)CC1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664278	1	46	-1.0	-44.26	341.37	3.56	-40.70
CC(C)CC1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664278	1	46	-1.0	-44.28	341.43	3.58	-40.70
CCN1C=NC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004664279	0	39	-1.0	-49.40	318.60	5.82	-43.58
CCN1C=NC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004664279	1	39	-1.0	-49.41	318.66	5.84	-43.57
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCCO2)CC1	REAL250004664280	0	40	-1.0	-46.55	313.88	3.03	-43.52
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCCO2)CC1	REAL250004664280	1	40	-1.0	-46.55	313.94	3.04	-43.51
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NOC=C2)=C1	REAL250004664281	0	35	-1.0	-60.02	307.82	4.33	-55.69
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NOC=C2)=C1	REAL250004664281	1	35	-1.0	-60.02	307.76	4.32	-55.70
O=C(CCCC1=N[N-]N=N1)N1CC(C(F)F)C2(CC2)C1	REAL250004664282	0	36	-1.0	-49.00	300.54	4.81	-44.19
O=C(CCCC1=NN=N[N-]1)N1CC(C(F)F)C2(CC2)C1	REAL250004664282	1	36	-1.0	-49.03	300.60	4.83	-44.20
CN(CC1=CC=CC(=O)N1)C(=O)CCCC1=N[N-]N=N1	REAL250004664283	0	35	-1.0	-51.30	298.02	2.44	-48.86
CN(CC1=CC=CC(=O)N1)C(=O)CCCC1=NN=N[N-]1	REAL250004664283	1	35	-1.0	-51.30	298.07	2.46	-48.84
COCC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664284	0	41	-1.0	-45.94	322.12	2.58	-43.36
COCC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664284	1	41	-1.0	-45.91	322.18	2.59	-43.32
CN1N=C(C2CC2)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664285	0	39	-1.0	-47.02	331.42	3.11	-43.91
CN1N=C(C2CC2)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664285	1	39	-1.0	-47.08	331.47	3.13	-43.95
CN1N=CC=C1C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664286	0	36	-1.0	-50.89	309.79	-1.39	-52.28
CN1N=CC=C1C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664286	1	36	-1.0	-50.92	309.85	-1.37	-52.29
CCC1=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=NO1	REAL250004664287	0	37	-1.0	-46.14	317.70	3.03	-43.11
CCC1=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=NO1	REAL250004664287	1	37	-1.0	-46.18	317.76	3.05	-43.13
C#CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004664288	0	31	-1.0	-36.28	286.16	2.96	-33.32
C#CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004664288	1	31	-1.0	-36.26	286.23	2.96	-33.30
CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)C(C)(C)O1	REAL250004664289	0	45	-1.0	-48.13	344.64	2.90	-45.23
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)C(C)(C)O1	REAL250004664289	1	45	-1.0	-48.11	344.70	2.91	-45.20
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C1CC1	REAL250004664290	0	39	-1.0	-49.35	332.34	3.13	-46.22
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C1CC1	REAL250004664290	1	39	-1.0	-49.31	332.40	3.15	-46.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCOC1	REAL250004664291	0	37	-1.0	-52.13	309.73	2.40	-49.73
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCOC1	REAL250004664291	1	37	-1.0	-52.14	309.67	2.39	-49.75
O=C(CCCC1=N[N-]N=N1)NC1CC12CC(O)C2	REAL250004664292	0	34	-1.0	-47.87	290.03	-0.09	-47.96
O=C(CCCC1=NN=N[N-]1)NC1CC12CC(O)C2	REAL250004664292	1	34	-1.0	-47.92	290.08	-0.08	-48.00
O=C(NC1CC12CC(O)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664293	0	34	-1.0	-37.33	300.69	-0.30	-37.63
O=C(NC1CC12CC(O)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664293	1	34	-1.0	-37.27	300.76	-0.31	-37.58
CO[C@@H]1CCOC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004664294	0	37	-1.0	-50.67	304.94	-0.18	-50.85
CO[C@@H]1CCOC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004664294	1	37	-1.0	-50.67	305.00	-0.17	-50.84
CN(C)C(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664295	0	39	-1.0	-59.40	312.25	3.79	-55.61
CN(C)C(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664295	1	39	-1.0	-59.41	312.30	3.81	-55.60
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOCC2	REAL250004664296	0	40	-1.0	-46.63	296.78	3.90	-42.73
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOCC2	REAL250004664296	1	40	-1.0	-46.61	296.84	3.92	-42.69
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(CC2)C1	REAL250004664297	0	39	-1.0	-47.11	313.00	4.45	-42.66
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(CC2)C1	REAL250004664297	1	39	-1.0	-47.17	313.06	4.46	-42.71
O=C(NC1CCCC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664298	0	39	-1.0	-35.15	323.59	4.25	-30.90
O=C(NC1CCCC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664298	1	39	-1.0	-35.14	323.66	4.27	-30.87
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCC2)N=C1	REAL250004664299	0	36	-1.0	-52.39	300.65	3.10	-49.29
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCC2)N=C1	REAL250004664299	1	36	-1.0	-52.37	300.59	3.08	-49.29
COC1(C(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664300	0	33	-1.0	-46.82	292.04	1.74	-45.08
COC1(C(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664300	1	33	-1.0	-46.81	292.09	1.76	-45.05
CC1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)CO1	REAL250004664302	0	40	-1.0	-48.43	322.36	2.49	-45.94
CC1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)CO1	REAL250004664302	1	40	-1.0	-48.41	322.42	2.50	-45.91
O=C(CCCC1=N[N-]N=N1)N(CC1=COC=C1)C1CC1	REAL250004664303	0	36	-1.0	-49.33	302.56	4.91	-44.42
O=C(CCCC1=NN=N[N-]1)N(CC1=COC=C1)C1CC1	REAL250004664303	1	36	-1.0	-49.35	302.62	4.92	-44.43
O=C(CCCC1=N[N-]N=N1)NC1=CNC2=CC=CC=C12	REAL250004664304	0	33	-1.0	-47.54	284.24	3.39	-44.15
O=C(CCCC1=NN=N[N-]1)NC1=CNC2=CC=CC=C12	REAL250004664304	1	33	-1.0	-47.60	284.29	3.41	-44.19
O=C(CCCC1=N[N-]N=N1)N1CC(N2CCCC2=O)C1	REAL250004664305	0	37	-1.0	-53.15	306.21	2.81	-50.34
O=C(CCCC1=NN=N[N-]1)N1CC(N2CCCC2=O)C1	REAL250004664305	1	37	-1.0	-53.21	306.27	2.82	-50.39
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H]2COCC[C@@H]21	REAL250004664306	0	38	-1.0	-47.20	298.45	1.64	-45.56
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H]2COCC[C@@H]21	REAL250004664306	1	38	-1.0	-47.22	298.51	1.65	-45.57
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCCC1	REAL250004664307	0	42	-1.0	-46.88	330.33	1.85	-45.03
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCCC1	REAL250004664307	1	42	-1.0	-46.94	330.39	1.86	-45.08
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004664308	0	39	-1.0	-46.35	316.26	3.93	-42.42
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004664308	1	39	-1.0	-46.39	316.31	3.94	-42.45
O=C(CCCC1=N[N-]N=N1)NCCC1=CC(O)=CC(F)=C1	REAL250004664309	0	36	-1.0	-51.05	318.02	1.46	-49.59
O=C(CCCC1=NN=N[N-]1)NCCC1=CC(O)=CC(F)=C1	REAL250004664309	1	36	-1.0	-51.07	318.08	1.48	-49.59
COC(=O)CCCONC(=O)CCCC1=N[N-]N=N1	REAL250004664310	0	35	-1.0	-56.81	309.50	3.17	-53.64
COC(=O)CCCONC(=O)CCCC1=NN=N[N-]1	REAL250004664310	1	35	-1.0	-56.84	309.56	3.19	-53.65
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004664311	0	35	-1.0	-45.98	287.30	1.99	-43.99
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004664311	1	35	-1.0	-46.00	287.35	2.01	-43.99
O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664312	0	35	-1.0	-36.09	298.30	1.76	-34.33
O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664312	1	35	-1.0	-36.10	298.37	1.77	-34.33
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C2)C1	REAL250004664313	0	39	-1.0	-46.54	290.41	5.15	-41.39
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C2)C1	REAL250004664313	1	39	-1.0	-46.53	290.47	5.16	-41.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCC(C2)C1	REAL250004664314	0	39	-1.0	-35.87	298.50	5.47	-30.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C2)C1	REAL250004664314	1	39	-1.0	-35.82	298.57	5.47	-30.35
CCC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664315	0	37	-1.0	-45.00	308.40	2.77	-42.23
CCC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664315	1	37	-1.0	-44.98	308.45	2.79	-42.19
NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004664316	0	40	-1.0	-48.26	318.90	1.01	-47.25
NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004664316	1	40	-1.0	-48.30	318.96	1.02	-47.28
CC1=CC=CC(C)=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664317	0	41	-1.0	-46.90	316.86	6.42	-40.48
CC1=CC=CC(C)=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664317	1	41	-1.0	-46.95	316.92	6.43	-40.52
CN(CC1=CC(C#N)=CS1)C(=O)CCCC1=N[N-]N=N1	REAL250004664318	0	33	-1.0	-47.82	308.18	5.11	-42.71
CN(CC1=CC(C#N)=CS1)C(=O)CCCC1=NN=N[N-]1	REAL250004664318	1	33	-1.0	-47.82	308.23	5.12	-42.70
CN(CCN1CCNC(=O)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004664319	0	41	-1.0	-50.08	326.72	-0.87	-50.95
CN(CCN1CCNC(=O)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004664319	1	41	-1.0	-50.08	326.77	-0.86	-50.94
N#CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664320	0	29	-1.0	-50.55	284.63	0.85	-49.70
N#CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664320	1	29	-1.0	-50.57	284.69	0.86	-49.71
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004664321	0	38	-1.0	-46.24	300.26	3.95	-42.29
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004664321	1	38	-1.0	-46.25	300.32	3.96	-42.29
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004664322	0	38	-1.0	-34.66	310.85	3.74	-30.92
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004664322	1	38	-1.0	-34.64	310.92	3.75	-30.89
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664323	0	45	-1.0	-47.09	337.01	2.99	-44.10
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664323	1	45	-1.0	-47.13	337.07	3.01	-44.12
CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664324	0	38	-1.0	-46.16	290.01	4.87	-41.29
CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664324	1	38	-1.0	-46.20	290.07	4.88	-41.32
CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664325	0	38	-1.0	-35.03	297.28	5.07	-29.96
CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664325	1	38	-1.0	-34.95	297.35	5.09	-29.86
CC1(C#N)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004664326	0	34	-1.0	-52.36	286.39	2.18	-50.18
CC1(C#N)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004664326	1	34	-1.0	-52.43	286.44	2.20	-50.23
CC1(C#N)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004664327	0	34	-1.0	-39.46	293.82	2.37	-37.09
CC1(C#N)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004664327	1	34	-1.0	-39.43	293.88	2.39	-37.04
CC1(C)CCC(CCNC(=O)CCCC2=N[N-]N=N2)OC1	REAL250004664328	0	45	-1.0	-48.48	351.98	3.49	-44.99
CC1(C)CCC(CCNC(=O)CCCC2=NN=N[N-]2)OC1	REAL250004664328	1	45	-1.0	-48.50	352.04	3.50	-45.00
O=C(CCCC1=N[N-]N=N1)N1CCCC2(COCCO2)C1	REAL250004664329	0	41	-1.0	-50.08	316.47	2.61	-47.47
O=C(CCCC1=NN=N[N-]1)N1CCCC2(COCCO2)C1	REAL250004664329	1	41	-1.0	-50.07	316.53	2.62	-47.45
O=C(CCCC1=N[N-]N=N1)NCC1CCC2CC1CO2	REAL250004664330	0	40	-1.0	-46.86	303.86	2.17	-44.69
O=C(CCCC1=NN=N[N-]1)NCC1CCC2CC1CO2	REAL250004664330	1	40	-1.0	-46.85	303.92	2.18	-44.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CC[C@@H]2C1	REAL250004664331	0	33	-1.0	-36.17	274.81	4.29	-31.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CC[C@@H]2C1	REAL250004664331	1	33	-1.0	-36.15	274.88	4.29	-31.86
O=C(CCCC1=N[N-]N=N1)NCC1CCC(C2CC2)O1	REAL250004664332	0	40	-1.0	-47.12	328.98	3.08	-44.04
O=C(CCCC1=NN=N[N-]1)NCC1CCC(C2CC2)O1	REAL250004664332	1	40	-1.0	-47.12	329.04	3.09	-44.03
O=C(CCCC1=N[N-]N=N1)NCC1(C2(O)CCC2)CC1	REAL250004664333	0	40	-1.0	-46.38	317.27	1.53	-44.85
O=C(CCCC1=NN=N[N-]1)NCC1(C2(O)CCC2)CC1	REAL250004664333	1	40	-1.0	-46.36	317.33	1.54	-44.82
O=C(CCCC1=N[N-]N=N1)NCC12CC(CO)(C1)CO2	REAL250004664334	0	38	-1.0	-48.35	317.26	-1.65	-50.00
O=C(CCCC1=NN=N[N-]1)NCC12CC(CO)(C1)CO2	REAL250004664334	1	38	-1.0	-48.36	317.32	-1.64	-50.00
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL250004664335	0	41	-1.0	-47.24	312.84	5.63	-41.61
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL250004664335	1	41	-1.0	-47.23	312.90	5.64	-41.59
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1CCCC[C@@H]1O	REAL250004664336	0	42	-1.0	-47.81	329.52	1.27	-46.54
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1CCCC[C@@H]1O	REAL250004664336	1	42	-1.0	-47.82	329.58	1.29	-46.53
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL250004664337	0	43	-1.0	-47.06	319.14	5.68	-41.38
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL250004664337	1	43	-1.0	-47.05	319.19	5.69	-41.36
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL250004664338	0	36	-1.0	-56.79	303.83	0.50	-56.29
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL250004664338	1	36	-1.0	-56.79	303.89	0.52	-56.27
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@H](C(F)(F)F)C1	REAL250004664340	0	35	-1.0	-46.10	301.01	3.59	-42.51
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@H](C(F)(F)F)C1	REAL250004664340	1	35	-1.0	-46.14	301.07	3.61	-42.53
CC1(C)O[C@@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]2O1	REAL250004664341	0	41	-1.0	-51.04	330.35	2.23	-48.81
CC1(C)O[C@@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]2O1	REAL250004664341	1	41	-1.0	-51.06	330.41	2.24	-48.82
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CCF)N=C1	REAL250004664342	0	35	-1.0	-48.50	310.08	2.29	-46.21
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CCF)N=C1	REAL250004664342	1	35	-1.0	-48.45	310.02	2.27	-46.18
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(F)F)C=C1	REAL250004664343	0	32	-1.0	-51.73	287.15	4.29	-47.44
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(F)F)C=C1	REAL250004664343	1	32	-1.0	-51.72	287.21	4.31	-47.41
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1OCCO1	REAL250004664344	0	38	-1.0	-50.55	306.71	2.56	-47.99
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1OCCO1	REAL250004664344	1	38	-1.0	-50.57	306.77	2.58	-47.99
CN1N=NC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004664345	0	35	-1.0	-50.71	291.11	2.12	-48.59
CN1N=NC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004664345	1	35	-1.0	-50.69	291.16	2.14	-48.55
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCOC2	REAL250004664346	0	40	-1.0	-47.53	300.50	4.61	-42.92
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCOC2	REAL250004664346	1	40	-1.0	-47.52	300.55	4.62	-42.90
CC1CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL250004664347	0	37	-1.0	-49.06	309.92	3.96	-45.10
CC1CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL250004664347	1	37	-1.0	-49.12	309.97	3.98	-45.14
CCOC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664348	0	38	-1.0	-51.84	319.46	4.40	-47.44
CCOC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664348	1	38	-1.0	-51.87	319.51	4.41	-47.46
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](C2CC2)C[C@H]1C1CC1	REAL250004664349	0	43	-1.0	-47.71	338.73	7.01	-40.70
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](C2CC2)C[C@H]1C1CC1	REAL250004664349	1	43	-1.0	-47.71	338.78	7.02	-40.69
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C1)S2	REAL250004664350	0	37	-1.0	-46.01	297.13	3.73	-42.28
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C1)S2	REAL250004664350	1	37	-1.0	-46.04	297.18	3.74	-42.30
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)O2)CC1	REAL250004664351	0	38	-1.0	-54.62	307.72	0.47	-54.15
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)O2)CC1	REAL250004664351	1	38	-1.0	-54.61	307.78	0.49	-54.12
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2(CCC2)O1	REAL250004664352	0	43	-1.0	-46.58	339.84	3.52	-43.06
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2(CCC2)O1	REAL250004664352	1	43	-1.0	-46.57	339.90	3.54	-43.03
NC(=O)C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004664353	0	37	-1.0	-51.17	296.97	1.24	-49.93
NC(=O)C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004664353	1	37	-1.0	-51.22	297.02	1.25	-49.97
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCNC(=O)O2	REAL250004664354	0	35	-1.0	-52.60	297.05	0.25	-52.35
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCNC(=O)O2	REAL250004664354	1	35	-1.0	-52.61	297.10	0.27	-52.34
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCO1	REAL250004664355	0	39	-1.0	-46.72	304.78	2.09	-44.63
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCO1	REAL250004664355	1	39	-1.0	-46.75	304.84	2.11	-44.64
CCCC(O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664356	0	38	-1.0	-49.38	314.74	0.31	-49.07
CCCC(O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664356	1	38	-1.0	-49.41	314.80	0.32	-49.09
CCCC(O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664357	0	38	-1.0	-36.66	325.33	0.10	-36.56
CCCC(O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664357	1	38	-1.0	-36.68	325.40	0.12	-36.56
CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1O	REAL250004664360	0	36	-1.0	-47.00	304.21	2.13	-44.87
CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1O	REAL250004664360	1	36	-1.0	-47.04	304.26	2.14	-44.90
CS(=O)(=O)CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664361	0	35	-1.0	-56.74	313.34	-3.95	-60.69
CS(=O)(=O)CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664361	1	35	-1.0	-56.79	313.40	-3.93	-60.72
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=C(O)C=C1Cl	REAL250004664363	0	30	-1.0	-47.22	284.32	1.19	-46.03
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=C(O)C=C1Cl	REAL250004664363	1	30	-1.0	-47.30	284.38	1.21	-46.09
CSCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664364	0	39	-1.0	-46.48	320.38	5.37	-41.11
CSCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664364	1	39	-1.0	-46.50	320.43	5.38	-41.12
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2CCC2)CC1	REAL250004664365	0	43	-1.0	-46.73	322.28	2.99	-43.74
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2CCC2)CC1	REAL250004664365	1	43	-1.0	-46.76	322.34	3.01	-43.75
CCO[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664366	0	36	-1.0	-49.32	297.50	2.82	-46.50
CCO[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664366	1	36	-1.0	-49.30	297.55	2.84	-46.46
CCO[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664367	0	36	-1.0	-36.65	304.72	3.08	-33.57
CCO[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664367	1	36	-1.0	-36.62	304.79	3.08	-33.54
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=CC=CC=C2C1	REAL250004664368	0	42	-1.0	-50.47	334.28	5.76	-44.71
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=CC=CC=C2C1	REAL250004664368	1	42	-1.0	-50.46	334.34	5.77	-44.69
CC1C(=O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664369	0	34	-1.0	-51.35	273.15	3.34	-48.01
CC1C(=O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664369	1	34	-1.0	-51.33	273.20	3.37	-47.96
CC1C(=O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664370	0	34	-1.0	-39.98	286.15	3.67	-36.31
CC1C(=O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664370	1	34	-1.0	-39.99	286.22	3.67	-36.32
CC1CCC(=O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004664371	0	34	-1.0	-48.62	274.24	3.33	-45.29
CC1CCC(=O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004664371	1	34	-1.0	-48.59	274.29	3.35	-45.24
CC1CCC(=O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664372	0	34	-1.0	-39.52	281.92	3.59	-35.93
CC1CCC(=O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664372	1	34	-1.0	-39.55	281.98	3.60	-35.95
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC2=CC=CN=C21	REAL250004664373	0	38	-1.0	-53.01	311.74	3.81	-49.20
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC2=CC=CN=C21	REAL250004664373	1	38	-1.0	-53.05	311.80	3.83	-49.22
CCN(CCC(=O)NC)C(=O)CCCC1=N[N-]N=N1	REAL250004664374	0	38	-1.0	-52.68	316.85	1.79	-50.89
CCN(CCC(=O)NC)C(=O)CCCC1=NN=N[N-]1	REAL250004664374	1	38	-1.0	-52.72	316.91	1.80	-50.92
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC2=CC=CN=C21	REAL250004664375	0	38	-1.0	-53.01	311.74	3.81	-49.20
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC2=CC=CN=C21	REAL250004664375	1	38	-1.0	-53.04	311.80	3.83	-49.21
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004664376	0	35	-1.0	-52.48	295.52	2.49	-49.99
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004664376	1	35	-1.0	-52.47	295.46	2.48	-49.99
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004664377	0	35	-1.0	-38.86	306.11	2.29	-36.57
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004664377	1	35	-1.0	-38.91	306.04	2.28	-36.63
CCC1=NC(OC)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664378	0	38	-1.0	-47.82	319.98	1.65	-46.17
CCC1=NC(OC)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664378	1	38	-1.0	-47.82	320.04	1.67	-46.15
O=C(N[C@@H]1CC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664379	0	30	-1.0	-37.76	268.11	-1.73	-39.49
O=C(N[C@@H]1CC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664379	1	30	-1.0	-37.77	268.18	-1.73	-39.50
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004664380	0	41	-1.0	-48.22	332.07	3.11	-45.11
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004664380	1	41	-1.0	-48.22	332.01	3.09	-45.13
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004664381	0	36	-1.0	-45.34	296.43	4.22	-41.12
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004664381	1	36	-1.0	-45.35	296.49	4.23	-41.12
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(Cl)C=C1F	REAL250004664382	0	31	-1.0	-48.07	292.12	3.58	-44.49
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(Cl)C=C1F	REAL250004664382	1	31	-1.0	-48.09	292.17	3.59	-44.50
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C(F)=C1	REAL250004664383	0	31	-1.0	-46.83	282.62	3.10	-43.73
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C(F)=C1	REAL250004664383	1	31	-1.0	-46.83	282.68	3.12	-43.71
CC1=CC=C(Cl)C=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004664384	0	34	-1.0	-45.78	304.45	4.22	-41.56
CC1=CC=C(Cl)C=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004664384	1	34	-1.0	-45.76	304.51	4.24	-41.52
O=C(CCCC1=N[N-]N=N1)NC(C1CC1)C1CCCOC1	REAL250004664385	0	43	-1.0	-46.02	330.91	3.85	-42.17
O=C(CCCC1=NN=N[N-]1)NC(C1CC1)C1CCCOC1	REAL250004664385	1	43	-1.0	-46.04	330.96	3.86	-42.18
O=C(CCCC1=N[N-]N=N1)NC1CCOC12CCCCC2	REAL250004664386	0	43	-1.0	-44.93	331.35	3.77	-41.16
O=C(CCCC1=NN=N[N-]1)NC1CCOC12CCCCC2	REAL250004664386	1	43	-1.0	-44.95	331.41	3.79	-41.16
O=C(CCCC1=N[N-]N=N1)NC1CCSC2(CCC2)C1	REAL250004664387	0	40	-1.0	-46.65	325.49	4.64	-42.01
O=C(CCCC1=NN=N[N-]1)NC1CCSC2(CCC2)C1	REAL250004664387	1	40	-1.0	-46.63	325.55	4.65	-41.98
CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1Cl	REAL250004664388	0	34	-1.0	-48.83	303.01	4.11	-44.72
CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004664388	1	34	-1.0	-48.92	303.07	4.13	-44.79
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(F)C=C1Cl	REAL250004664389	0	31	-1.0	-47.88	290.71	3.60	-44.28
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(F)C=C1Cl	REAL250004664389	1	31	-1.0	-47.86	290.77	3.61	-44.25
CC1=CNC(C(NC(=O)CCCC2=N[N-]N=N2)C2CC2)=N1	REAL250004664390	0	39	-1.0	-46.22	325.76	2.86	-43.36
CC1=CNC(C(NC(=O)CCCC2=NN=N[N-]2)C2CC2)=N1	REAL250004664390	1	39	-1.0	-46.26	325.82	2.87	-43.39
CC1(C)C2CCC(C2)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664391	0	45	-1.0	-46.23	333.80	4.80	-41.43
CC1(C)C2CCC(C2)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664391	1	45	-1.0	-46.28	333.89	4.81	-41.47
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)SC=C2	REAL250004664392	0	33	-1.0	-46.18	286.09	4.86	-41.32
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)SC=C2	REAL250004664392	1	33	-1.0	-46.22	286.15	4.88	-41.34
CCC1(C)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664393	0	35	-1.0	-34.92	296.69	3.10	-31.82
CCC1(C)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664393	1	35	-1.0	-34.92	296.76	3.10	-31.82
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O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2CC(CO)C[C@H]12	REAL250004664394	1	40	-1.0	-47.94	317.87	1.43	-46.51
O=C(CCCC1=NN=N[N-]1)NCCN1N=CC2=CC=CC=C21	REAL250004664395	0	38	-1.0	-53.08	328.96	3.68	-49.40
O=C(CCCC1=N[N-]N=N1)NCCN1N=CC2=CC=CC=C21	REAL250004664395	1	38	-1.0	-53.08	328.90	3.67	-49.41
C#CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664396	0	36	-1.0	-36.23	301.99	5.96	-30.27
C#CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664396	1	36	-1.0	-36.23	302.07	5.96	-30.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2CC2CC1	REAL250004664397	0	39	-1.0	-46.17	299.98	4.95	-41.22
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NC(=O)C1C[C@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)[C@H]2C1	REAL250004664399	0	40	-1.0	-52.04	319.73	0.46	-51.58
NC(=O)C1C[C@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)[C@H]2C1	REAL250004664399	1	40	-1.0	-52.03	319.80	0.47	-51.56
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1CO	REAL250004664400	0	42	-1.0	-51.23	315.65	1.53	-49.70
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1CO	REAL250004664400	1	42	-1.0	-51.23	315.71	1.54	-49.69
CC(C)C1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664401	0	42	-1.0	-60.06	317.09	2.25	-57.81
CC(C)C1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664401	1	42	-1.0	-60.06	317.15	2.27	-57.79
C=CCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664402	0	39	-1.0	-48.44	315.25	5.56	-42.88
C=CCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664402	1	39	-1.0	-48.50	315.31	5.57	-42.93
C=CCCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664403	0	39	-1.0	-37.05	322.74	5.79	-31.26
C=CCCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664403	1	39	-1.0	-37.03	322.81	5.81	-31.22
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O=C(CCCC1=NN=N[N-]1)N1CC2CC1CCC2(F)F	REAL250004664404	1	36	-1.0	-46.42	290.81	5.08	-41.34
CC1=CC=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664405	0	35	-1.0	-47.50	306.17	4.17	-43.33
CC1=CC=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664405	1	35	-1.0	-47.52	306.23	4.18	-43.34
CN(CC1CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664406	0	35	-1.0	-35.65	291.69	5.03	-30.62
CN(CC1CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664406	1	35	-1.0	-35.65	291.76	5.06	-30.59
CC(CC1=CC=NO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664407	0	34	-1.0	-50.56	295.81	2.70	-47.86
CC(CC1=CC=NO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664407	1	34	-1.0	-50.57	295.87	2.72	-47.85
CC(CC1=CC=NO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664408	0	34	-1.0	-39.80	306.30	2.52	-37.28
CC(CC1=CC=NO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664408	1	34	-1.0	-39.75	306.36	2.54	-37.21
CN1C=CC(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664409	0	38	-1.0	-48.15	313.60	2.56	-45.59
CN1C=CC(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664409	1	38	-1.0	-48.14	313.54	2.55	-45.59
O=C(CCCC1=N[N-]N=N1)NC1(C2CCOCC2)CC1	REAL250004664410	0	40	-1.0	-46.55	311.99	2.75	-43.80
O=C(CCCC1=NN=N[N-]1)NC1(C2CCOCC2)CC1	REAL250004664410	1	40	-1.0	-46.55	312.04	2.77	-43.78
O=C(CCCC1=N[N-]N=N1)NCC1CCS(=O)(=O)N1	REAL250004664411	0	34	-1.0	-58.36	296.33	-2.92	-61.28
O=C(CCCC1=NN=N[N-]1)NCC1CCS(=O)(=O)N1	REAL250004664411	1	34	-1.0	-58.38	296.39	-2.90	-61.28
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCOCC2	REAL250004664412	0	40	-1.0	-47.95	317.60	2.43	-45.52
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCOCC2	REAL250004664412	1	40	-1.0	-47.99	317.66	2.44	-45.55
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004664413	0	35	-1.0	-46.71	302.97	4.38	-42.33
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004664413	1	35	-1.0	-46.68	303.03	4.39	-42.29
COCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004664414	0	40	-1.0	-49.98	324.47	1.18	-48.80
COCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004664414	1	40	-1.0	-50.01	324.53	1.19	-48.82
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC2=CC(F)=CC=C21	REAL250004664415	0	36	-1.0	-48.80	308.80	4.80	-44.00
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC2=CC(F)=CC=C21	REAL250004664415	1	36	-1.0	-48.86	308.86	4.82	-44.04
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664416	0	38	-1.0	-50.10	328.64	3.78	-46.32
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664416	1	38	-1.0	-50.07	328.70	3.79	-46.28
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC2=CC=CC=C21	REAL250004664417	0	39	-1.0	-49.04	312.34	5.16	-43.88
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC2=CC=CC=C21	REAL250004664417	1	39	-1.0	-49.06	312.40	5.17	-43.89
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C1)C(=O)N2	REAL250004664418	0	37	-1.0	-50.53	306.82	0.02	-50.51
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C1)C(=O)N2	REAL250004664418	1	37	-1.0	-50.54	306.88	0.03	-50.51
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC2=CC(F)=CC=C21	REAL250004664419	0	36	-1.0	-48.73	306.25	4.72	-44.01
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC2=CC(F)=CC=C21	REAL250004664419	1	36	-1.0	-48.73	306.31	4.74	-43.99
N#CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004664420	0	37	-1.0	-50.45	316.33	6.16	-44.29
N#CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004664420	1	37	-1.0	-50.48	316.38	6.17	-44.31
CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664421	0	41	-1.0	-47.80	339.07	4.09	-43.71
CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664421	1	41	-1.0	-47.86	339.13	4.10	-43.76
NC(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664423	0	34	-1.0	-56.59	299.02	-0.78	-57.37
NC(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664423	1	34	-1.0	-56.61	299.08	-0.76	-57.37
CC1=C(C(C)NC(=O)CCCC2=N[N-]N=N2)SN=N1	REAL250004664424	0	33	-1.0	-46.98	297.03	1.42	-45.56
CC1=C(C(C)NC(=O)CCCC2=NN=N[N-]2)SN=N1	REAL250004664424	1	33	-1.0	-46.99	297.09	1.43	-45.56
CC1(C)COCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004664425	0	40	-1.0	-46.80	322.36	1.08	-45.72
CC1(C)COCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004664425	1	40	-1.0	-46.80	322.42	1.10	-45.70
O=C(CCCC1=N[N-]N=N1)NCCCOC1CCC1	REAL250004664426	0	39	-1.0	-46.63	323.36	2.66	-43.97
O=C(CCCC1=NN=N[N-]1)NCCCOC1CCC1	REAL250004664426	1	39	-1.0	-46.62	323.42	2.67	-43.95
CC(C)[C@]12C[C@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004664427	0	39	-1.0	-47.41	309.54	5.58	-41.83
CC(C)[C@]12C[C@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004664427	1	39	-1.0	-47.40	309.60	5.59	-41.81
CC(C)[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004664428	0	39	-1.0	-35.86	314.92	5.50	-30.36
CC(C)[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004664428	1	39	-1.0	-35.85	314.99	5.52	-30.33
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NN=C1C	REAL250004664430	0	35	-1.0	-49.10	301.10	2.30	-46.80
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NN=C1C	REAL250004664430	1	35	-1.0	-49.07	301.16	2.32	-46.75
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCCF)C=C1	REAL250004664431	0	36	-1.0	-51.91	310.95	3.73	-48.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCCF)C=C1	REAL250004664431	1	36	-1.0	-51.92	311.00	3.75	-48.17
CC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CO1	REAL250004664432	0	31	-1.0	-49.10	276.49	-1.19	-50.29
CC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CO1	REAL250004664432	1	31	-1.0	-49.15	276.54	-1.18	-50.33
CC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004664433	0	31	-1.0	-39.00	287.08	-1.40	-40.40
CC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004664433	1	31	-1.0	-38.96	287.15	-1.40	-40.36
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCCC1	REAL250004664434	0	42	-1.0	-47.04	326.57	1.38	-45.66
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCCC1	REAL250004664434	1	42	-1.0	-47.04	326.63	1.39	-45.65
O=C(CCCC1=N[N-]N=N1)N1CCC1C1=CC=CC=C1F	REAL250004664435	0	36	-1.0	-48.52	306.38	5.85	-42.67
O=C(CCCC1=NN=N[N-]1)N1CCC1C1=CC=CC=C1F	REAL250004664435	1	36	-1.0	-48.53	306.44	5.85	-42.68
CC1(OCCNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004664436	0	42	-1.0	-46.82	333.65	2.98	-43.84
CC1(OCCNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004664436	1	42	-1.0	-46.83	333.71	2.99	-43.84
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CC=C1Cl	REAL250004664437	0	31	-1.0	-48.81	288.17	2.04	-46.77
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CC=C1Cl	REAL250004664437	1	31	-1.0	-48.80	288.22	2.06	-46.74
O=C(CCCC1=N[N-]N=N1)NC[C@@]1(O)C[C@H]2CC[C@@H]1C2	REAL250004664438	0	40	-1.0	-45.83	312.24	0.72	-45.11
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(O)C[C@H]2CC[C@@H]1C2	REAL250004664438	1	40	-1.0	-45.85	312.30	0.74	-45.11
CCC(O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664439	0	35	-1.0	-36.47	296.87	-0.54	-37.01
CCC(O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664439	1	35	-1.0	-36.42	296.93	-0.52	-36.94
CC(C)(CCCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004664440	0	38	-1.0	-48.71	300.14	-0.31	-49.02
CC(C)(CCCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004664440	1	38	-1.0	-48.70	300.20	-0.30	-49.00
CC(C)(CCCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664441	0	38	-1.0	-37.02	310.72	-0.52	-37.54
CC(C)(CCCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664441	1	38	-1.0	-36.98	310.79	-0.51	-37.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC(C2CC2)=NN1	REAL250004664442	0	36	-1.0	-46.67	310.68	1.92	-44.75
O=C(CCCC1=NN=N[N-]1)NCC1=CC(C2CC2)=NN1	REAL250004664442	1	36	-1.0	-46.66	310.74	1.93	-44.73
CC#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664443	0	36	-1.0	-51.06	322.43	3.82	-47.24
CC#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664443	1	36	-1.0	-51.08	322.49	3.83	-47.25
C#CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664444	0	31	-1.0	-37.39	279.85	1.43	-35.96
C#CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664444	1	31	-1.0	-37.34	279.92	1.43	-35.91
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCCCCC2)C1	REAL250004664445	0	45	-1.0	-47.31	341.60	6.26	-41.05
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCCCCC2)C1	REAL250004664445	1	45	-1.0	-47.33	341.66	6.27	-41.06
CC(O)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664446	0	38	-1.0	-46.45	299.78	-0.02	-46.47
CC(O)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664446	1	38	-1.0	-46.48	299.84	0.00	-46.48
CC(O)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664447	0	38	-1.0	-36.47	308.30	-0.10	-36.57
CC(O)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664447	1	38	-1.0	-36.45	308.36	-0.09	-36.54
O=C(CCCC1=N[N-]N=N1)NCC(CO)C1CC1	REAL250004664448	0	36	-1.0	-47.06	300.23	0.13	-46.93
O=C(CCCC1=NN=N[N-]1)NCC(CO)C1CC1	REAL250004664448	1	36	-1.0	-47.16	300.29	0.15	-47.01
O=C(NCC(CO)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664449	0	36	-1.0	-36.81	308.22	0.50	-36.31
O=C(NCC(CO)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664449	1	36	-1.0	-36.78	308.29	0.50	-36.28
CC1=CC=C(Cl)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664450	0	35	-1.0	-45.89	312.95	4.78	-41.11
CC1=CC=C(Cl)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664450	1	35	-1.0	-45.92	313.00	4.79	-41.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCCC21	REAL250004664451	0	36	-1.0	-36.43	291.99	5.03	-31.40
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COCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004664454	1	34	-1.0	-48.77	304.37	-1.98	-50.75
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CC(C)(CNC(N)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004664456	0	37	-1.0	-49.91	303.45	-2.31	-52.22
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C#CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664461	0	38	-1.0	-50.30	316.85	4.12	-46.18
C#CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664461	1	38	-1.0	-50.31	316.90	4.14	-46.17
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CCCOC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664465	0	37	-1.0	-44.97	316.57	3.13	-41.84
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CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004664466	0	42	-1.0	-49.40	326.11	2.87	-46.53
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004664466	1	42	-1.0	-49.38	326.17	2.88	-46.50
CC(C)(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664467	0	45	-1.0	-46.53	328.65	2.75	-43.78
CC(C)(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664467	1	45	-1.0	-46.51	328.71	2.76	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1OC(=O)CC12CCC2	REAL250004664468	0	39	-1.0	-50.47	321.22	3.36	-47.11
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CS(=O)(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664469	1	34	-1.0	-58.21	305.62	-2.07	-60.28
CC1=CNC(=O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664470	0	35	-1.0	-56.86	303.84	1.02	-55.84
CC1=CNC(=O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664470	1	35	-1.0	-56.85	303.89	1.04	-55.81
CS(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664471	0	37	-1.0	-55.88	313.61	0.96	-54.92
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CC(C)(CNC(=O)CCCC1=N[N-]N=N1)OC(F)F	REAL250004664472	0	35	-1.0	-46.66	292.03	1.09	-45.57
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)OC(F)F	REAL250004664472	1	35	-1.0	-46.69	292.09	1.10	-45.59
O=C(CCCC1=N[N-]N=N1)N1CC2CSCC(C2)C1	REAL250004664473	0	37	-1.0	-50.83	291.25	5.52	-45.31
O=C(CCCC1=NN=N[N-]1)N1CC2CSCC(C2)C1	REAL250004664473	1	37	-1.0	-50.85	291.30	5.53	-45.32
CO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1F	REAL250004664474	0	36	-1.0	-51.82	294.64	2.67	-49.15
CO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1F	REAL250004664474	1	36	-1.0	-51.88	294.69	2.69	-49.19
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCCC2=C1	REAL250004664475	0	33	-1.0	-51.76	278.72	2.88	-48.88
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCCC2=C1	REAL250004664475	1	33	-1.0	-51.75	278.77	2.90	-48.85
O=C(NC1=NN2CCCC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664476	0	33	-1.0	-41.39	289.28	2.67	-38.72
O=C(NC1=NN2CCCC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664476	1	33	-1.0	-41.39	289.35	2.69	-38.70
NC(=O)C1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664477	0	30	-1.0	-48.43	268.66	0.12	-48.31
NC(=O)C1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664477	1	30	-1.0	-48.40	268.73	0.12	-48.28
COC(=O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664478	0	38	-1.0	-49.37	317.13	4.18	-45.19
COC(=O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664478	1	38	-1.0	-49.36	317.19	4.19	-45.17
COC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL250004664479	0	37	-1.0	-55.25	306.95	4.87	-50.38
COC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL250004664479	1	37	-1.0	-55.29	307.00	4.88	-50.41
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C1CCC1	REAL250004664480	0	42	-1.0	-46.05	340.75	5.87	-40.18
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C1CCC1	REAL250004664480	1	42	-1.0	-46.06	340.81	5.89	-40.17
C[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004664482	0	33	-1.0	-35.85	281.00	4.37	-31.48
C[C@]12C[C@H]1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004664482	1	33	-1.0	-35.86	281.07	4.39	-31.47
O=C(CCCC1=N[N-]N=N1)NC1CCCN(C2CC2)C1=O	REAL250004664483	0	40	-1.0	-58.70	323.55	2.72	-55.98
O=C(CCCC1=NN=N[N-]1)NC1CCCN(C2CC2)C1=O	REAL250004664483	1	40	-1.0	-58.75	323.61	2.73	-56.02
C#CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664484	0	41	-1.0	-47.69	329.49	4.60	-43.09
C#CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664484	1	41	-1.0	-47.74	329.55	4.61	-43.13
O=C(CCCC1=N[N-]N=N1)N1CCCCC2(CCC2)C1	REAL250004664485	0	42	-1.0	-47.93	313.72	5.98	-41.95
O=C(CCCC1=NN=N[N-]1)N1CCCCC2(CCC2)C1	REAL250004664485	1	42	-1.0	-47.95	313.78	5.99	-41.96
O=C(NOCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664486	0	26	-1.0	-38.85	249.72	1.50	-37.35
O=C(NOCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664486	1	26	-1.0	-38.75	249.79	1.51	-37.24
CCCNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664487	0	38	-1.0	-47.16	319.20	0.57	-46.59
CCCNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664487	1	38	-1.0	-47.17	319.26	0.59	-46.58
CC1=NC=NC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664488	0	30	-1.0	-35.71	271.62	1.93	-33.78
CC1=NC=NC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664488	1	30	-1.0	-35.71	271.69	1.94	-33.77
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=NN1C	REAL250004664489	0	33	-1.0	-47.41	288.21	0.12	-47.29
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=NN1C	REAL250004664489	1	33	-1.0	-47.45	288.27	0.13	-47.32
CC1=NN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004664490	0	36	-1.0	-49.53	298.64	3.29	-46.24
CC1=NN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004664490	1	36	-1.0	-49.54	298.70	3.30	-46.24
CCC1CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664491	0	44	-1.0	-46.69	331.90	4.77	-41.92
CCC1CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664491	1	44	-1.0	-46.69	331.95	4.79	-41.90
C#CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004664492	0	40	-1.0	-47.12	321.28	6.39	-40.73
C#CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004664492	1	40	-1.0	-47.19	321.34	6.41	-40.78
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@@H]1N1C=CC=N1	REAL250004664493	0	37	-1.0	-49.04	307.86	1.05	-47.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@@H]1N1C=CC=N1	REAL250004664493	1	37	-1.0	-49.04	307.80	1.04	-48.00
C#CC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664494	0	29	-1.0	-37.91	273.01	-0.22	-38.13
C#CC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664494	1	29	-1.0	-37.87	273.08	-0.21	-38.08
CC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664495	0	36	-1.0	-48.71	278.14	2.65	-46.06
CC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664495	1	36	-1.0	-48.70	278.19	2.66	-46.04
CC1CCOCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664496	0	36	-1.0	-34.31	287.00	2.94	-31.37
CC1CCOCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664496	1	36	-1.0	-34.35	287.05	2.95	-31.40
CN1N=NC(NC(=O)CCCC2=N[N-]N=N2)=C1C(F)F	REAL250004664497	0	31	-1.0	-59.23	284.30	1.74	-57.49
CN1N=NC(NC(=O)CCCC2=NN=N[N-]2)=C1C(F)F	REAL250004664497	1	31	-1.0	-59.25	284.36	1.77	-57.48
CC1(C)C(C)(C)C1(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664498	0	41	-1.0	-46.92	312.89	4.07	-42.85
CC1(C)C(C)(C)C1(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664498	1	41	-1.0	-46.94	312.94	4.09	-42.85
CC1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)N1	REAL250004664499	0	31	-1.0	-51.08	275.09	0.78	-50.30
CC1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)N1	REAL250004664499	1	31	-1.0	-51.10	275.15	0.79	-50.31
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL250004664500	0	31	-1.0	-41.86	285.68	0.57	-41.29
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004664500	1	31	-1.0	-41.84	285.75	0.57	-41.27
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004664501	0	42	-1.0	-46.79	329.09	2.71	-44.08
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004664501	1	42	-1.0	-46.81	329.15	2.73	-44.08
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL250004664502	0	36	-1.0	-58.28	303.32	0.67	-57.61
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL250004664502	1	36	-1.0	-58.28	303.38	0.68	-57.60
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)[C@@H]2CCC[C@@H]21	REAL250004664503	0	42	-1.0	-47.40	319.18	5.55	-41.85
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)[C@@H]2CCC[C@@H]21	REAL250004664503	1	42	-1.0	-47.43	319.24	5.57	-41.86
C#CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664504	0	31	-1.0	-37.96	275.23	4.29	-33.67
C#CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664504	1	31	-1.0	-37.99	275.30	4.29	-33.70
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O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC(Cl)=C2C1	REAL250004664505	1	33	-1.0	-46.30	298.34	5.52	-40.78
CC1(C)CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)CO1	REAL250004664506	0	43	-1.0	-47.23	343.02	3.18	-44.05
CC1(C)CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)CO1	REAL250004664506	1	43	-1.0	-47.26	343.07	3.19	-44.07
O=C(CCCC1=N[N-]N=N1)NC[C@]12C[C@H]1COC21CCC1	REAL250004664507	0	41	-1.0	-46.26	326.81	3.28	-42.98
O=C(CCCC1=NN=N[N-]1)NC[C@]12C[C@H]1COC21CCC1	REAL250004664507	1	41	-1.0	-46.28	326.87	3.29	-42.99
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2[C@H](CCC2(F)F)C1	REAL250004664508	0	36	-1.0	-46.99	295.67	4.66	-42.33
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2[C@H](CCC2(F)F)C1	REAL250004664508	1	36	-1.0	-47.01	295.73	4.67	-42.34
C=CCCCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004664509	0	38	-1.0	-47.01	313.04	5.60	-41.41
C=CCCCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004664509	1	38	-1.0	-46.97	313.10	5.62	-41.35
C=CCCCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664510	0	38	-1.0	-35.88	319.32	6.33	-29.55
C=CCCCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664510	1	38	-1.0	-35.85	319.38	6.33	-29.52
CSCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664511	0	35	-1.0	-45.92	294.05	2.98	-42.94
CSCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664511	1	35	-1.0	-45.90	294.11	2.99	-42.91
CSCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664512	0	35	-1.0	-36.37	304.63	2.76	-33.61
CSCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664512	1	35	-1.0	-36.32	304.70	2.77	-33.55
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=N1	REAL250004664513	0	31	-1.0	-47.84	274.23	-1.16	-49.00
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=N1	REAL250004664513	1	31	-1.0	-47.85	274.29	-1.14	-48.99
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=N1	REAL250004664514	0	31	-1.0	-38.02	285.72	-1.32	-39.34
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=N1	REAL250004664514	1	31	-1.0	-38.02	285.79	-1.32	-39.34
C[C@@]12CSC[C@@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004664515	0	37	-1.0	-48.47	303.92	4.68	-43.79
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CCO[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664516	1	33	-1.0	-36.33	295.51	1.03	-35.30
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CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004664523	0	36	-1.0	-48.08	295.75	1.44	-46.64
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004664523	1	36	-1.0	-48.09	295.81	1.46	-46.63
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CO1	REAL250004664524	0	36	-1.0	-36.39	306.07	1.20	-35.19
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CO1	REAL250004664524	1	36	-1.0	-36.37	306.13	1.22	-35.15
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(Cl)=CC=C21	REAL250004664525	0	33	-1.0	-44.96	290.28	5.83	-39.13
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(Cl)=CC=C21	REAL250004664525	1	33	-1.0	-45.04	290.33	5.85	-39.19
O=C(NCC=CCl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664526	0	26	-1.0	-34.94	259.46	1.41	-33.53
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CC1(C)OCC(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004664527	1	40	-1.0	-49.94	331.03	1.64	-48.30
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COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664543	1	37	-1.0	-45.22	307.13	2.94	-42.28
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O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)C(F)C1	REAL250004664571	1	33	-1.0	-40.67	281.54	0.56	-40.11
COC[C@@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664572	0	33	-1.0	-37.96	295.55	-2.94	-40.90
COC[C@@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664572	1	33	-1.0	-37.98	295.62	-2.93	-40.91
CCC1C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664573	0	39	-1.0	-59.86	302.70	1.41	-58.45
CCC1C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664573	1	39	-1.0	-59.81	302.75	1.42	-58.39
O=C(CCCC1=N[N-]N=N1)N1CCCNC(=O)C12CC2	REAL250004664574	0	37	-1.0	-54.88	299.54	2.30	-52.58
O=C(CCCC1=NN=N[N-]1)N1CCCNC(=O)C12CC2	REAL250004664574	1	37	-1.0	-54.94	299.60	2.31	-52.63
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2COC2)CC1	REAL250004664575	0	41	-1.0	-49.34	329.05	2.16	-47.18
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2COC2)CC1	REAL250004664575	1	41	-1.0	-49.35	329.11	2.18	-47.17
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCCO2)CCC1	REAL250004664576	0	43	-1.0	-45.51	338.13	3.41	-42.10
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCCO2)CCC1	REAL250004664576	1	43	-1.0	-45.54	338.18	3.43	-42.11
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CC1	REAL250004664577	0	36	-1.0	-49.31	304.03	0.27	-49.04
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CC1	REAL250004664577	1	36	-1.0	-49.33	304.09	0.29	-49.04
O=C(NCCC(O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664578	0	36	-1.0	-36.65	314.62	0.07	-36.58
O=C(NCCC(O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664578	1	36	-1.0	-36.67	314.69	0.08	-36.59
CCOC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664579	0	37	-1.0	-47.66	308.87	4.19	-43.47
CCOC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664579	1	37	-1.0	-47.67	308.92	4.21	-43.46
O=C(CCCC1=N[N-]N=N1)NC1COCC1C1CC1	REAL250004664580	0	37	-1.0	-47.41	302.72	2.71	-44.70
O=C(CCCC1=NN=N[N-]1)NC1COCC1C1CC1	REAL250004664580	1	37	-1.0	-47.50	302.78	2.72	-44.78
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC2=CC=CC=C2[C@H]1O	REAL250004664581	0	37	-1.0	-49.31	313.65	1.36	-47.95
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC2=CC=CC=C2[C@H]1O	REAL250004664581	1	37	-1.0	-49.31	313.70	1.38	-47.93
CSC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664582	0	33	-1.0	-46.71	290.46	3.07	-43.64
CSC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664582	1	33	-1.0	-46.74	290.52	3.08	-43.66
CSC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664583	0	33	-1.0	-34.97	300.99	2.87	-32.10
CSC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664583	1	33	-1.0	-34.99	301.05	2.88	-32.11
CCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004664584	0	37	-1.0	-50.16	315.83	3.21	-46.95
CCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004664584	1	37	-1.0	-50.26	315.89	3.23	-47.03
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1OC2	REAL250004664585	0	40	-1.0	-49.28	305.73	2.34	-46.94
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1OC2	REAL250004664585	1	40	-1.0	-49.28	305.78	2.35	-46.93
O=C(CCCC1=N[N-]N=N1)NCC#CC1CCCCO1	REAL250004664586	0	38	-1.0	-46.66	321.95	3.01	-43.65
O=C(CCCC1=NN=N[N-]1)NCC#CC1CCCCO1	REAL250004664586	1	38	-1.0	-46.67	322.01	3.02	-43.65
CN(C[C@@H]1CCC(=O)N1)C(=O)CCCC1=N[N-]N=N1	REAL250004664587	0	36	-1.0	-49.38	296.93	1.45	-47.93
CN(C[C@@H]1CCC(=O)N1)C(=O)CCCC1=NN=N[N-]1	REAL250004664587	1	36	-1.0	-49.39	296.98	1.46	-47.93
CN1N=NN=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004664589	0	36	-1.0	-54.68	312.24	1.01	-53.67
CN1N=NN=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004664589	1	36	-1.0	-54.68	312.29	1.03	-53.65
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1O	REAL250004664590	0	33	-1.0	-48.63	305.07	1.22	-47.41
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1O	REAL250004664590	1	33	-1.0	-48.64	305.12	1.24	-47.40
CCC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004664591	0	39	-1.0	-50.75	320.37	7.00	-43.75
CCC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004664591	1	39	-1.0	-50.77	320.43	7.02	-43.75
CC(CC1=CC=CN=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664592	0	37	-1.0	-51.74	313.92	3.49	-48.25
CC(CC1=CC=CN=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664592	1	37	-1.0	-51.71	313.86	3.47	-48.24
CN1C=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004664593	0	32	-1.0	-40.87	291.75	2.53	-38.34
CN1C=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004664593	1	32	-1.0	-40.84	291.81	2.53	-38.31
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664594	0	36	-1.0	-35.24	302.49	3.76	-31.48
C[C@@H]1CC=CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664594	1	36	-1.0	-35.13	302.56	3.76	-31.37
COC(=O)[C@@H]1CC=C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664595	0	39	-1.0	-49.42	325.40	3.76	-45.66
COC(=O)[C@@H]1CC=C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664595	1	39	-1.0	-49.43	325.45	3.78	-45.65
CCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664596	0	31	-1.0	-54.49	274.14	5.34	-49.15
CCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664596	1	31	-1.0	-54.46	274.09	5.33	-49.13
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)OC	REAL250004664597	0	37	-1.0	-52.87	304.67	4.84	-48.03
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)OC	REAL250004664597	1	37	-1.0	-52.91	304.73	4.85	-48.06
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC1	REAL250004664598	0	33	-1.0	-49.87	285.02	3.71	-46.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC1	REAL250004664598	1	33	-1.0	-49.85	284.96	3.69	-46.16
O=C(NC1=CC=NN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664599	0	33	-1.0	-36.33	295.70	3.49	-32.84
O=C(NC1=CC=NN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664599	1	33	-1.0	-36.37	295.64	3.48	-32.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004664600	0	36	-1.0	-35.95	291.73	4.74	-31.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2CCC[C@@H]2C1	REAL250004664600	1	36	-1.0	-35.92	291.80	4.74	-31.18
C=C1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664601	0	33	-1.0	-35.02	291.50	2.85	-32.17
C=C1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664601	1	33	-1.0	-35.07	291.57	2.85	-32.22
O=C(CCCC1=N[N-]N=N1)NCC1=C(Cl)C=CS1	REAL250004664602	0	29	-1.0	-46.32	284.59	3.01	-43.31
O=C(CCCC1=NN=N[N-]1)NCC1=C(Cl)C=CS1	REAL250004664602	1	29	-1.0	-46.29	284.65	3.02	-43.27
C=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664603	0	30	-1.0	-36.11	263.51	3.50	-32.61
C=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664603	1	30	-1.0	-36.09	263.58	3.50	-32.59
O=C(CCCC1=N[N-]N=N1)NCC12CC(CO1)CCC2	REAL250004664604	0	40	-1.0	-46.34	310.33	2.47	-43.87
O=C(CCCC1=NN=N[N-]1)NCC12CC(CO1)CCC2	REAL250004664604	1	40	-1.0	-46.35	310.39	2.48	-43.87
CC1(OCCNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004664605	0	43	-1.0	-47.96	339.82	1.25	-46.71
CC1(OCCNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004664605	1	43	-1.0	-47.96	339.88	1.26	-46.70
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004664606	0	35	-1.0	-47.68	301.09	3.51	-44.17
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004664606	1	35	-1.0	-47.67	301.15	3.53	-44.14
CN(C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004664607	0	39	-1.0	-48.96	326.84	2.02	-46.94
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004664607	1	39	-1.0	-49.00	326.90	2.04	-46.96
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H](CO)C1	REAL250004664608	0	34	-1.0	-49.19	280.59	-1.18	-50.37
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H](CO)C1	REAL250004664608	1	34	-1.0	-49.20	280.65	-1.17	-50.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCO[C@H](CO)C1	REAL250004664609	0	34	-1.0	-36.96	288.07	-0.96	-37.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCO[C@H](CO)C1	REAL250004664609	1	34	-1.0	-36.92	288.14	-0.93	-37.85
O=C(CCCC1=N[N-]N=N1)NCC1(C2CCOCC2)CC1	REAL250004664610	0	43	-1.0	-48.08	335.91	3.54	-44.54
O=C(CCCC1=NN=N[N-]1)NCC1(C2CCOCC2)CC1	REAL250004664610	1	43	-1.0	-48.14	335.97	3.56	-44.58
O=C(CCCC1=NN=N[N-]1)NC1=NN(C(F)F)C=C1	REAL250004664611	0	29	-1.0	-47.42	268.46	2.29	-45.13
O=C(CCCC1=N[N-]N=N1)NC1=NN(C(F)F)C=C1	REAL250004664611	1	29	-1.0	-47.43	268.40	2.27	-45.16
COCCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664612	0	35	-1.0	-53.50	307.82	4.39	-49.11
COCCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664612	1	35	-1.0	-53.56	307.76	4.38	-49.18
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCCC1	REAL250004664613	0	42	-1.0	-50.19	323.33	6.08	-44.11
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCCC1	REAL250004664613	1	42	-1.0	-50.21	323.39	6.08	-44.13
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCOCC1	REAL250004664614	0	40	-1.0	-49.13	311.23	3.71	-45.42
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCOCC1	REAL250004664614	1	40	-1.0	-49.16	311.29	3.72	-45.44
CCCCN(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664615	0	36	-1.0	-36.33	309.92	2.70	-33.63
CCCCN(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664615	1	36	-1.0	-36.28	309.98	2.71	-33.57
O=C(CCCC1=N[N-]N=N1)NCC(F)(F)C(F)(F)F	REAL250004664616	0	28	-1.0	-44.05	271.00	1.81	-42.24
O=C(CCCC1=NN=N[N-]1)NCC(F)(F)C(F)(F)F	REAL250004664616	1	28	-1.0	-44.08	271.06	1.82	-42.26
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1CC1	REAL250004664617	0	42	-1.0	-48.48	343.82	7.87	-40.61
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1CC1	REAL250004664617	1	42	-1.0	-48.50	343.87	7.89	-40.61
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664618	0	44	-1.0	-47.20	322.65	4.33	-42.87
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664618	1	44	-1.0	-47.27	322.71	4.34	-42.93
CCC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664619	0	40	-1.0	-46.16	309.48	3.60	-42.56
CCC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664619	1	40	-1.0	-46.16	309.53	3.62	-42.54
CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004664620	0	40	-1.0	-34.86	316.39	4.23	-30.63
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004664620	1	40	-1.0	-34.85	316.46	4.23	-30.62
O=C(CCCC1=N[N-]N=N1)N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL250004664621	0	38	-1.0	-52.25	316.85	-1.76	-54.01
O=C(CCCC1=NN=N[N-]1)N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL250004664621	1	38	-1.0	-52.26	316.91	-1.74	-54.00
O=C(CCCC1=N[N-]N=N1)N1CC23CCC2(COC3)C1	REAL250004664622	0	38	-1.0	-47.76	302.48	2.99	-44.77
O=C(CCCC1=NN=N[N-]1)N1CC23CCC2(COC3)C1	REAL250004664622	1	38	-1.0	-47.76	302.54	3.00	-44.76
N#CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004664623	0	37	-1.0	-48.48	306.81	1.44	-47.04
N#CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004664623	1	37	-1.0	-48.51	306.87	1.45	-47.06
CC1=NNC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664624	0	32	-1.0	-38.28	288.36	0.69	-37.59
CC1=NNC(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664624	1	32	-1.0	-38.30	288.31	0.68	-37.62
C=CCN(CCC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664625	0	35	-1.0	-35.95	298.66	5.49	-30.46
C=CCN(CCC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664625	1	35	-1.0	-35.95	298.72	5.50	-30.45
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H](C(F)(F)F)C1	REAL250004664626	0	33	-1.0	-47.60	287.33	2.35	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H](C(F)(F)F)C1	REAL250004664626	1	33	-1.0	-47.56	287.39	2.37	-45.19
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H](C(F)(F)F)C1	REAL250004664627	0	33	-1.0	-47.57	287.27	2.32	-45.25
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H](C(F)(F)F)C1	REAL250004664627	1	33	-1.0	-47.55	287.33	2.34	-45.21
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004664628	0	37	-1.0	-35.12	300.89	3.05	-32.07
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004664628	1	37	-1.0	-35.11	300.96	3.07	-32.04
COCCC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004664630	0	35	-1.0	-52.15	316.65	2.60	-49.55
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CN(CC1=NN(C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004664631	0	35	-1.0	-49.59	300.05	3.31	-46.28
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C=CCCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664693	0	38	-1.0	-48.03	314.57	5.47	-42.56
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C=CCCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664694	0	38	-1.0	-35.98	322.26	5.87	-30.11
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CN(C(=O)CCCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004664704	0	32	-1.0	-48.04	272.06	3.71	-44.33
CN(C(=O)CCCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004664704	1	32	-1.0	-48.06	272.12	3.72	-44.34
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(F)(F)C1	REAL250004664705	0	32	-1.0	-35.54	279.63	4.11	-31.43
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(F)(F)C1	REAL250004664705	1	32	-1.0	-35.46	279.69	4.14	-31.32
COC1CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664706	0	36	-1.0	-51.22	292.28	2.50	-48.72
COC1CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664706	1	36	-1.0	-51.19	292.33	2.51	-48.68
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COC1CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664707	1	36	-1.0	-37.76	299.88	2.94	-34.82
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CC(C)(CCNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004664714	0	37	-1.0	-45.93	310.85	3.15	-42.78
CC(C)(CCNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004664714	1	37	-1.0	-45.94	310.91	3.17	-42.77
CC(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664715	0	42	-1.0	-46.65	315.62	2.49	-44.16
CC(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664715	1	42	-1.0	-46.63	315.68	2.50	-44.13
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O=C(CCCC1=NN=N[N-]1)N1C2CC3CC(C2)CC1C3	REAL250004664718	1	40	-1.0	-47.61	298.86	5.65	-41.96
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O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C(O)=C1	REAL250004664719	1	36	-1.0	-52.44	309.08	2.87	-49.57
C[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664720	0	38	-1.0	-45.36	292.23	4.82	-40.54
C[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664720	1	38	-1.0	-45.35	292.29	4.84	-40.51
C[C@@H]1CC[C@@H](C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664721	0	38	-1.0	-34.78	299.90	5.09	-29.69
C[C@@H]1CC[C@@H](C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664721	1	38	-1.0	-34.74	299.97	5.10	-29.64
O=C(CCCC1=N[N-]N=N1)NC1CCC(CO)CC1	REAL250004664722	0	39	-1.0	-49.16	308.52	0.86	-48.30
O=C(CCCC1=NN=N[N-]1)NC1CCC(CO)CC1	REAL250004664722	1	39	-1.0	-49.19	308.58	0.88	-48.31
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O=C(CCCC1=NN=N[N-]1)NCC1=CC(C(F)F)=NO1	REAL250004664724	1	31	-1.0	-47.65	288.84	1.90	-45.75
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1CCCO1	REAL250004664725	0	39	-1.0	-45.98	304.67	2.32	-43.66
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1CCCO1	REAL250004664725	1	39	-1.0	-46.02	304.72	2.33	-43.69
C#CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664726	0	37	-1.0	-47.08	303.38	5.42	-41.66
C#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664726	1	37	-1.0	-47.10	303.44	5.44	-41.66
C#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004664727	0	37	-1.0	-36.33	311.06	5.67	-30.66
C#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004664727	1	37	-1.0	-36.31	311.13	5.67	-30.64
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=N1	REAL250004664728	0	31	-1.0	-48.90	290.92	2.06	-46.84
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=N1	REAL250004664728	1	31	-1.0	-48.93	290.97	2.07	-46.86
CC1=CC=CC(CC(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664729	0	41	-1.0	-48.77	340.27	5.91	-42.86
CC1=CC=CC(CC(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664729	1	41	-1.0	-48.78	340.33	5.92	-42.86
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004664730	0	36	-1.0	-48.44	306.70	4.90	-43.54
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250004664730	1	36	-1.0	-48.40	306.76	4.91	-43.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1CCC2	REAL250004664731	0	39	-1.0	-46.33	323.31	5.30	-41.03
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1CCC2	REAL250004664731	1	39	-1.0	-46.31	323.37	5.32	-40.99
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC=C1	REAL250004664732	0	31	-1.0	-47.36	273.70	1.65	-45.71
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC=C1	REAL250004664732	1	31	-1.0	-47.37	273.76	1.67	-45.70
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=C1	REAL250004664733	0	31	-1.0	-39.41	284.30	1.45	-37.96
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=C1	REAL250004664733	1	31	-1.0	-39.37	284.36	1.47	-37.90
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664734	0	41	-1.0	-49.62	336.69	4.83	-44.79
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664734	1	41	-1.0	-49.67	336.75	4.84	-44.83
C[C@H](COC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664735	0	41	-1.0	-45.63	327.88	2.58	-43.05
C[C@H](COC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664735	1	41	-1.0	-45.66	327.94	2.60	-43.06
O=C(CCCC1=N[N-]N=N1)NCC1CC1CC1=CC=CC=C1	REAL250004664736	0	42	-1.0	-47.42	351.03	6.38	-41.04
O=C(CCCC1=NN=N[N-]1)NCC1CC1CC1=CC=CC=C1	REAL250004664736	1	42	-1.0	-47.42	351.09	6.40	-41.02
CCOC(=O)C(CCOC)NC(=O)CCCC1=N[N-]N=N1	REAL250004664737	0	41	-1.0	-50.05	349.87	2.43	-47.62
CCOC(=O)C(CCOC)NC(=O)CCCC1=NN=N[N-]1	REAL250004664737	1	41	-1.0	-50.12	349.93	2.44	-47.68
O=C(CCCC1=N[N-]N=N1)NCC1OCC2=CC=CC=C21	REAL250004664738	0	37	-1.0	-47.94	314.46	2.88	-45.06
O=C(CCCC1=NN=N[N-]1)NCC1OCC2=CC=CC=C21	REAL250004664738	1	37	-1.0	-47.95	314.52	2.89	-45.06
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1=CCOCC1	REAL250004664739	0	43	-1.0	-48.27	334.84	3.11	-45.16
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1=CCOCC1	REAL250004664739	1	43	-1.0	-48.30	334.90	3.13	-45.17
CC(C)CC(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664740	0	41	-1.0	-46.76	324.79	1.01	-45.75
CC(C)CC(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664740	1	41	-1.0	-46.79	324.85	1.02	-45.77
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004664741	0	36	-1.0	-48.43	306.69	4.90	-43.53
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004664741	1	36	-1.0	-48.42	306.75	4.91	-43.51
COC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664742	0	33	-1.0	-39.29	293.70	-2.99	-42.28
COC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664742	1	33	-1.0	-39.24	293.77	-2.98	-42.22
O=C(CCCC1=NN=N[N-]1)NC1=NN2CCC(=O)NC2=N1	REAL250004664743	0	33	-1.0	-55.78	290.99	4.38	-51.40
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCC(=O)NC2=N1	REAL250004664743	1	33	-1.0	-55.78	290.93	4.37	-51.41
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2CCCC2)C1	REAL250004664745	0	45	-1.0	-47.33	338.47	6.63	-40.70
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2CCCC2)C1	REAL250004664745	1	45	-1.0	-47.33	338.53	6.64	-40.69
CC(C)(C)CC1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664746	0	41	-1.0	-49.48	318.27	5.06	-44.42
CC(C)(C)CC1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664746	1	41	-1.0	-49.52	318.33	5.07	-44.45
O=C(CCCC1=N[N-]N=N1)N1CC23COCC2(COC3)C1	REAL250004664747	0	39	-1.0	-49.11	307.24	0.80	-48.31
O=C(CCCC1=NN=N[N-]1)N1CC23COCC2(COC3)C1	REAL250004664747	1	39	-1.0	-49.12	307.31	0.81	-48.31
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCO2)CCC1	REAL250004664748	0	40	-1.0	-50.76	315.04	4.46	-46.30
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CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1C	REAL250004664749	0	39	-1.0	-47.47	309.34	3.30	-44.17
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1C	REAL250004664749	1	39	-1.0	-47.48	309.40	3.32	-44.16
CC1=NC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664750	0	31	-1.0	-47.24	272.35	2.35	-44.89
CC1=NC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664750	1	31	-1.0	-47.24	272.40	2.37	-44.87
CC1=NC(F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664751	0	31	-1.0	-34.97	282.91	2.14	-32.83
CC1=NC(F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664751	1	31	-1.0	-34.95	282.98	2.16	-32.79
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCOC1	REAL250004664752	0	40	-1.0	-53.38	314.17	3.71	-49.67
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCOC1	REAL250004664752	1	40	-1.0	-53.41	314.23	3.72	-49.69
COC(=O)C[C@@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664753	0	41	-1.0	-49.40	322.16	5.68	-43.72
COC(=O)C[C@@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664753	1	41	-1.0	-49.44	322.21	5.69	-43.75
COC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1COC	REAL250004664754	0	43	-1.0	-49.27	344.16	2.04	-47.23
COC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1COC	REAL250004664754	1	43	-1.0	-49.25	344.22	2.06	-47.19
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004664756	0	35	-1.0	-48.34	312.69	4.14	-44.20
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004664756	1	35	-1.0	-48.38	312.75	4.15	-44.23
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(=O)N1	REAL250004664757	0	36	-1.0	-47.63	295.11	1.24	-46.39
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(=O)N1	REAL250004664757	1	36	-1.0	-47.67	295.17	1.25	-46.42
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004664758	0	38	-1.0	-44.95	311.20	3.42	-41.53
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004664758	1	38	-1.0	-44.97	311.27	3.43	-41.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(O)=C1	REAL250004664759	0	30	-1.0	-48.44	270.52	0.57	-47.87
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(O)=C1	REAL250004664759	1	30	-1.0	-48.47	270.58	0.59	-47.88
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=CS1	REAL250004664760	0	32	-1.0	-45.41	288.70	3.17	-42.24
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=CS1	REAL250004664760	1	32	-1.0	-45.37	288.76	3.19	-42.18
CC1(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL250004664761	0	39	-1.0	-47.60	319.48	5.85	-41.75
CC1(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL250004664761	1	39	-1.0	-47.56	319.54	5.86	-41.70
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)CC1O	REAL250004664762	0	39	-1.0	-46.29	300.54	1.68	-44.61
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)CC1O	REAL250004664762	1	39	-1.0	-46.29	300.59	1.68	-44.61
CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004664763	0	38	-1.0	-47.18	328.04	1.12	-46.06
CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004664763	1	38	-1.0	-47.19	327.98	1.10	-46.09
CC1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL250004664764	0	39	-1.0	-48.41	319.75	5.84	-42.57
CC1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL250004664764	1	39	-1.0	-48.48	319.81	5.85	-42.63
CN1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004664765	0	33	-1.0	-52.82	281.91	0.57	-52.25
CN1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004664765	1	33	-1.0	-52.85	281.97	0.58	-52.27
CN1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004664766	0	33	-1.0	-40.15	292.50	0.37	-39.78
CN1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004664766	1	33	-1.0	-40.11	292.57	0.37	-39.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C1CC1	REAL250004664767	0	39	-1.0	-46.22	324.47	5.57	-40.65
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C1CC1	REAL250004664767	1	39	-1.0	-46.22	324.52	5.58	-40.64
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004664768	0	39	-1.0	-49.27	296.36	3.28	-45.99
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004664768	1	39	-1.0	-49.28	296.42	3.30	-45.98
CSC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004664769	0	33	-1.0	-45.79	312.60	3.79	-42.00
CSC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004664769	1	33	-1.0	-45.85	312.66	3.80	-42.05
O=C(NCC1CC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664770	0	36	-1.0	-34.89	310.38	3.77	-31.12
O=C(NCC1CC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664770	1	36	-1.0	-34.82	310.44	3.77	-31.05
O=C(CCCC1=NN=N[N-]1)NCC1=CN=CS1	REAL250004664772	0	28	-1.0	-46.68	263.89	0.73	-45.95
O=C(CCCC1=N[N-]N=N1)NCC1=CN=CS1	REAL250004664772	1	28	-1.0	-46.64	263.84	0.72	-45.92
O=C(NCC1=CN=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664773	0	28	-1.0	-36.45	274.43	0.51	-35.94
O=C(NCC1=CN=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664773	1	28	-1.0	-36.44	274.50	0.51	-35.93
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)C(=O)NC=C2	REAL250004664774	0	36	-1.0	-53.41	299.27	2.69	-50.72
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)C(=O)NC=C2	REAL250004664774	1	36	-1.0	-53.42	299.32	2.70	-50.72
CC(C)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664775	0	40	-1.0	-47.56	319.33	5.42	-42.14
CC(C)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664775	1	40	-1.0	-47.59	319.39	5.43	-42.16
CC(C)CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664776	0	40	-1.0	-35.65	327.01	5.81	-29.84
CC(C)CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664776	1	40	-1.0	-35.68	327.09	5.84	-29.84
CC1(C)COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004664777	0	39	-1.0	-46.28	304.65	2.16	-44.12
CC1(C)COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004664777	1	39	-1.0	-46.30	304.71	2.18	-44.12
CN(CCN1C=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004664778	0	35	-1.0	-51.12	299.15	5.19	-45.93
CN(CCN1C=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004664778	1	35	-1.0	-51.12	299.21	5.20	-45.92
CN(CCN1C=CN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664779	0	35	-1.0	-38.90	306.84	5.58	-33.32
CN(CCN1C=CN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664779	1	35	-1.0	-38.89	306.91	5.59	-33.30
CN(CCCN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004664780	0	44	-1.0	-49.21	347.10	1.85	-47.36
CN(CCCN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004664780	1	44	-1.0	-49.20	347.16	1.86	-47.34
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=CC(F)=N1	REAL250004664781	0	36	-1.0	-52.64	315.47	1.46	-51.18
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=CC(F)=N1	REAL250004664781	1	36	-1.0	-52.62	315.42	1.44	-51.18
CN(CC1CCSCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004664782	0	39	-1.0	-48.48	314.39	5.45	-43.03
CN(CC1CCSCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004664782	1	39	-1.0	-48.52	314.45	5.47	-43.05
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004664783	0	35	-1.0	-46.70	303.02	4.38	-42.32
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004664783	1	35	-1.0	-46.69	303.08	4.40	-42.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCCO1	REAL250004664784	0	31	-1.0	-37.10	267.96	1.74	-35.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCCO1	REAL250004664784	1	31	-1.0	-37.09	268.03	1.74	-35.35
COC(=O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=N[N-]N=N1	REAL250004664785	0	39	-1.0	-59.05	321.53	4.85	-54.20
COC(=O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=NN=N[N-]1	REAL250004664785	1	39	-1.0	-59.03	321.58	4.87	-54.16
COC(CNC(=O)CCCC1=N[N-]N=N1)C1CCCOC1	REAL250004664786	0	43	-1.0	-48.90	342.38	1.26	-47.64
COC(CNC(=O)CCCC1=NN=N[N-]1)C1CCCOC1	REAL250004664786	1	43	-1.0	-48.91	342.44	1.28	-47.63
O=C(CCCC1=N[N-]N=N1)N1C2C=CC(C2)C1CO	REAL250004664787	0	35	-1.0	-50.85	284.06	2.91	-47.94
O=C(CCCC1=NN=N[N-]1)N1C2C=CC(C2)C1CO	REAL250004664787	1	35	-1.0	-50.87	284.12	2.92	-47.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C2C=CC(C2)C1CO	REAL250004664788	0	35	-1.0	-40.00	290.09	3.14	-36.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C2C=CC(C2)C1CO	REAL250004664788	1	35	-1.0	-39.97	290.16	3.16	-36.81
CC1(C)CC(CO)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664789	0	39	-1.0	-49.64	309.10	2.93	-46.71
CC1(C)CC(CO)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664789	1	39	-1.0	-49.68	309.15	2.94	-46.74
CN(CC1=CN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004664790	0	35	-1.0	-46.69	290.12	4.68	-42.01
CN(CC1=CN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004664790	1	35	-1.0	-46.69	290.17	4.69	-42.00
CN(CC1=CN=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664791	0	35	-1.0	-38.26	298.44	5.08	-33.18
CN(CC1=CN=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664791	1	35	-1.0	-38.26	298.52	5.08	-33.18
CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)NC1CC1	REAL250004664792	0	36	-1.0	-47.26	307.82	0.67	-46.59
CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)NC1CC1	REAL250004664792	1	36	-1.0	-47.27	307.88	0.68	-46.59
CN1N=C(C2CC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664793	0	36	-1.0	-50.69	305.06	4.10	-46.59
CN1N=C(C2CC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664793	1	36	-1.0	-50.76	305.12	4.12	-46.64
CC(C)CC1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664794	0	38	-1.0	-49.15	305.81	4.74	-44.41
CC(C)CC1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664794	1	38	-1.0	-49.17	305.87	4.76	-44.41
CC(C)CC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664795	0	38	-1.0	-37.82	313.71	4.68	-33.14
CC(C)CC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664795	1	38	-1.0	-37.76	313.78	4.70	-33.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)[C@H](F)C1	REAL250004664796	0	30	-1.0	-38.05	267.34	-0.19	-38.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H](F)C1	REAL250004664796	1	30	-1.0	-37.97	267.41	-0.19	-38.16
CC(C)(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664798	0	42	-1.0	-48.27	323.55	1.75	-46.52
CC(C)(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664798	1	42	-1.0	-48.25	323.61	1.77	-46.48
O=C(CCCC1=N[N-]N=N1)N1C[C@H](CCO)[C@H](CCO)C1	REAL250004664799	0	43	-1.0	-50.09	340.43	-1.47	-51.56
O=C(CCCC1=NN=N[N-]1)N1C[C@H](CCO)[C@H](CCO)C1	REAL250004664799	1	43	-1.0	-50.12	340.49	-1.46	-51.58
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C(CCO)C1	REAL250004664800	0	40	-1.0	-48.98	320.02	-2.11	-51.09
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C(CCO)C1	REAL250004664800	1	40	-1.0	-49.01	320.08	-2.09	-51.10
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)C1	REAL250004664801	0	30	-1.0	-37.47	260.87	-0.27	-37.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)C1	REAL250004664801	1	30	-1.0	-37.42	260.94	-0.27	-37.69
O=C(CCCC1=N[N-]N=N1)NC1CCOCC12CCCC2	REAL250004664802	0	43	-1.0	-46.41	328.80	3.47	-42.94
O=C(CCCC1=NN=N[N-]1)NC1CCOCC12CCCC2	REAL250004664802	1	43	-1.0	-46.43	328.85	3.49	-42.94
CC1CCCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664803	0	42	-1.0	-47.35	327.95	1.65	-45.70
CC1CCCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664803	1	42	-1.0	-47.38	328.01	1.67	-45.71
CC(C)(C)CC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004664804	0	44	-1.0	-46.66	340.39	1.93	-44.73
CC(C)(C)CC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004664804	1	44	-1.0	-46.68	340.45	1.95	-44.73
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)CO1	REAL250004664805	0	42	-1.0	-46.11	316.01	4.45	-41.66
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)CO1	REAL250004664805	1	42	-1.0	-46.09	316.06	4.47	-41.62
COC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664806	0	36	-1.0	-48.74	300.87	1.48	-47.26
COC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664806	1	36	-1.0	-48.73	300.93	1.49	-47.24
COC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664807	0	36	-1.0	-36.48	311.47	1.28	-35.20
COC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664807	1	36	-1.0	-36.46	311.54	1.28	-35.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=C(F)C(F)=C1	REAL250004664808	0	32	-1.0	-46.73	298.09	3.66	-43.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=C(F)C(F)=C1	REAL250004664808	1	32	-1.0	-46.78	298.15	3.68	-43.10
COCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664810	0	42	-1.0	-48.42	329.58	3.92	-44.50
COCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664810	1	42	-1.0	-48.45	329.64	3.94	-44.51
CC(C)CC(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004664811	0	41	-1.0	-46.28	324.40	0.82	-45.46
CC(C)CC(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004664811	1	41	-1.0	-46.30	324.46	0.83	-45.47
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)CCO1	REAL250004664812	0	39	-1.0	-46.63	304.65	4.19	-42.44
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)CCO1	REAL250004664812	1	39	-1.0	-46.63	304.71	4.20	-42.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1CCC1	REAL250004664813	0	39	-1.0	-47.38	314.63	6.10	-41.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1CCC1	REAL250004664813	1	39	-1.0	-47.38	314.69	6.12	-41.26
CC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004664814	0	35	-1.0	-46.02	297.16	4.70	-41.32
CC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004664814	1	35	-1.0	-46.00	297.22	4.72	-41.28
O=C(CCCC1=NN=N[N-]1)N1CC(N2C=C(Cl)C=N2)C1	REAL250004664815	0	33	-1.0	-50.29	303.04	3.26	-47.03
O=C(CCCC1=N[N-]N=N1)N1CC(N2C=C(Cl)C=N2)C1	REAL250004664815	1	33	-1.0	-50.28	302.98	3.25	-47.03
CN1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004664816	0	33	-1.0	-52.65	282.29	0.58	-52.07
CN1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004664816	1	33	-1.0	-52.65	282.34	0.59	-52.06
CN1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004664817	0	33	-1.0	-40.30	292.96	0.36	-39.94
CN1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004664817	1	33	-1.0	-40.26	293.03	0.37	-39.89
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)CCO1	REAL250004664818	0	33	-1.0	-56.78	281.88	0.50	-56.28
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)CCO1	REAL250004664818	1	33	-1.0	-56.78	281.93	0.52	-56.26
O=C(CCCC1=N[N-]N=N1)N1CCC1C1CCCCCC1	REAL250004664819	0	45	-1.0	-49.79	335.59	6.73	-43.06
O=C(CCCC1=NN=N[N-]1)N1CCC1C1CCCCCC1	REAL250004664819	1	45	-1.0	-49.83	335.66	6.73	-43.10
CC(C)N1C=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664820	0	35	-1.0	-55.98	296.16	6.03	-49.95
CC(C)N1C=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664820	1	35	-1.0	-55.93	296.10	6.01	-49.92
COCC(CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664821	0	44	-1.0	-48.02	341.80	3.04	-44.98
COCC(CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664821	1	44	-1.0	-48.06	341.85	3.06	-45.00
O=C(CCCC1=N[N-]N=N1)NCC1CCCSCC1	REAL250004664822	0	39	-1.0	-47.16	312.68	4.17	-42.99
O=C(CCCC1=NN=N[N-]1)NCC1CCCSCC1	REAL250004664822	1	39	-1.0	-47.15	312.73	4.19	-42.96
CS(=O)(=O)C[C@@H]1CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664823	0	35	-1.0	-52.91	309.49	0.24	-52.67
CS(=O)(=O)C[C@@H]1CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664823	1	35	-1.0	-52.93	309.55	0.25	-52.68
CCC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664824	0	35	-1.0	-49.77	303.31	3.69	-46.08
CCC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664824	1	35	-1.0	-49.82	303.37	3.70	-46.12
C#CCC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664825	0	37	-1.0	-46.73	295.13	5.38	-41.35
C#CCC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664825	1	37	-1.0	-46.76	295.19	5.39	-41.37
C#CCC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664826	0	37	-1.0	-36.48	303.00	5.63	-30.85
C#CCC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664826	1	37	-1.0	-36.43	303.06	5.64	-30.79
CSC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004664827	0	33	-1.0	-46.08	304.33	2.81	-43.27
CSC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004664827	1	33	-1.0	-46.06	304.39	2.83	-43.23
COC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004664828	0	39	-1.0	-47.95	326.11	3.61	-44.34
COC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004664828	1	39	-1.0	-47.96	326.16	3.63	-44.33
CCCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664829	0	43	-1.0	-44.66	350.43	4.64	-40.02
CCCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664829	1	43	-1.0	-44.64	350.49	4.66	-39.98
O=C(CCCC1=N[N-]N=N1)NC1CCCC1C1CC1	REAL250004664830	0	39	-1.0	-46.46	308.55	5.39	-41.07
O=C(CCCC1=NN=N[N-]1)NC1CCCC1C1CC1	REAL250004664830	1	39	-1.0	-46.47	308.62	5.40	-41.07
O=C(NC1CCCC1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664831	0	39	-1.0	-35.19	319.14	5.18	-30.01
O=C(NC1CCCC1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664831	1	39	-1.0	-35.15	319.22	5.18	-29.97
CCCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664832	0	35	-1.0	-49.03	296.72	3.66	-45.37
CCCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664832	1	35	-1.0	-49.03	296.66	3.65	-45.38
O=C(CCCC1=N[N-]N=N1)NCCN1CC2(COC2)C1	REAL250004664833	0	39	-1.0	-49.42	322.26	-1.89	-51.31
O=C(CCCC1=NN=N[N-]1)NCCN1CC2(COC2)C1	REAL250004664833	1	39	-1.0	-49.47	322.31	-1.88	-51.35
COC1(OC)CC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664834	0	43	-1.0	-48.97	351.48	2.23	-46.74
COC1(OC)CC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664834	1	43	-1.0	-48.98	351.53	2.25	-46.73
CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCCC1=N[N-]N=N1	REAL250004664835	0	43	-1.0	-47.36	324.99	4.22	-43.14
CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCCC1=NN=N[N-]1	REAL250004664835	1	43	-1.0	-47.37	325.05	4.23	-43.14
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004664836	0	42	-1.0	-48.80	324.74	7.03	-41.77
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004664836	1	42	-1.0	-48.80	324.79	7.04	-41.76
CN(CC1(O)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664837	0	33	-1.0	-35.89	283.56	1.75	-34.14
CN(CC1(O)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664837	1	33	-1.0	-35.88	283.62	1.76	-34.12
CC(C)OC[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664838	0	38	-1.0	-45.74	313.85	2.19	-43.55
CC(C)OC[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664838	1	38	-1.0	-45.73	313.91	2.21	-43.52
CC(C)OC[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664839	0	38	-1.0	-35.94	324.44	1.99	-33.95
CC(C)OC[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664839	1	38	-1.0	-35.89	324.51	2.01	-33.88
CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004664840	0	45	-1.0	-48.51	337.92	4.81	-43.70
CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004664840	1	45	-1.0	-48.58	337.98	4.83	-43.75
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(C1)O2	REAL250004664841	0	37	-1.0	-46.48	281.14	3.57	-42.91
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(C1)O2	REAL250004664841	1	37	-1.0	-46.48	281.20	3.58	-42.90
CC1CC(C)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664842	0	35	-1.0	-35.13	292.76	2.77	-32.36
CC1CC(C)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664842	1	35	-1.0	-35.14	292.82	2.77	-32.37
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C(F)(F)CC1	REAL250004664843	0	36	-1.0	-54.72	291.50	1.76	-52.96
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C(F)(F)CC1	REAL250004664843	1	36	-1.0	-54.74	291.56	1.78	-52.96
CC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)C	REAL250004664844	0	40	-1.0	-44.88	328.98	3.65	-41.23
CC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)C	REAL250004664844	1	40	-1.0	-44.88	329.03	3.67	-41.21
CCN(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004664845	0	42	-1.0	-49.51	340.41	3.58	-45.93
CCN(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004664845	1	42	-1.0	-49.55	340.46	3.59	-45.96
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1CO	REAL250004664846	0	36	-1.0	-50.41	295.64	1.04	-49.37
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1CO	REAL250004664846	1	36	-1.0	-50.39	295.69	1.06	-49.33
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2OCCO[C@H]2C1	REAL250004664847	0	38	-1.0	-49.40	301.11	1.98	-47.42
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2OCCO[C@H]2C1	REAL250004664847	1	38	-1.0	-49.37	301.17	2.00	-47.37
COC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1COC	REAL250004664848	0	43	-1.0	-48.66	349.62	2.20	-46.46
COC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1COC	REAL250004664848	1	43	-1.0	-48.67	349.68	2.21	-46.46
COC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004664849	0	33	-1.0	-47.72	281.00	2.79	-44.93
COC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004664849	1	33	-1.0	-47.68	281.06	2.81	-44.87
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664850	0	33	-1.0	-37.79	292.47	2.56	-35.23
COC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664850	1	33	-1.0	-37.85	292.40	2.55	-35.30
CC1=CNC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664851	0	35	-1.0	-57.52	298.26	2.94	-54.58
CC1=CNC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664851	1	35	-1.0	-57.56	298.32	2.96	-54.60
CC1=CNC(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004664852	0	35	-1.0	-43.58	306.22	3.35	-40.23
CC1=CNC(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004664852	1	35	-1.0	-43.55	306.29	3.36	-40.19
CC(C)CNC(=O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664853	0	41	-1.0	-46.90	338.08	1.31	-45.59
CC(C)CNC(=O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664853	1	41	-1.0	-46.92	338.13	1.32	-45.60
COC(=O)C(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664854	0	37	-1.0	-48.27	313.45	2.53	-45.74
COC(=O)C(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664854	1	37	-1.0	-48.29	313.51	2.55	-45.74
CC1(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=NN2)CC1	REAL250004664855	0	36	-1.0	-48.14	302.50	3.33	-44.81
CC1(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=NN2)CC1	REAL250004664855	1	36	-1.0	-48.14	302.56	3.35	-44.79
CC1=CC(C)=NC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664856	0	36	-1.0	-49.76	312.42	1.90	-47.86
CC1=CC(C)=NC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664856	1	36	-1.0	-49.78	312.48	1.92	-47.86
O=C(NCC(O)CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664857	0	29	-1.0	-38.29	268.81	-2.16	-40.45
O=C(NCC(O)CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664857	1	29	-1.0	-38.25	268.88	-2.15	-40.40
CC(NC(=O)CCCC1=N[N-]N=N1)C1(C)OCCO1	REAL250004664858	0	37	-1.0	-47.86	302.30	0.92	-46.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1(C)OCCO1	REAL250004664858	1	37	-1.0	-47.89	302.36	0.93	-46.96
COCC1(O)CCOCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004664859	0	41	-1.0	-47.40	329.26	-1.99	-49.39
COCC1(O)CCOCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004664859	1	41	-1.0	-47.41	329.32	-1.97	-49.38
CC1(C)C(=O)NCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664860	0	39	-1.0	-58.21	293.64	1.23	-56.98
CC1(C)C(=O)NCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664860	1	39	-1.0	-58.22	293.70	1.25	-56.97
CC(C)OC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664861	0	41	-1.0	-46.70	323.25	2.43	-44.27
CC(C)OC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664861	1	41	-1.0	-46.65	323.31	2.44	-44.21
CC1(C)CC(=O)OC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664862	0	38	-1.0	-50.62	314.58	2.74	-47.88
CC1(C)CC(=O)OC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664862	1	38	-1.0	-50.62	314.64	2.75	-47.87
O=C(CCO)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664863	0	40	-1.0	-52.82	323.94	-0.04	-52.86
O=C(CCO)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664863	1	40	-1.0	-52.84	324.00	-0.03	-52.87
CCC1(CC)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664864	0	41	-1.0	-47.57	312.18	4.99	-42.58
CCC1(CC)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664864	1	41	-1.0	-47.57	312.24	5.00	-42.57
CC(C)CCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664865	0	35	-1.0	-35.77	303.70	3.44	-32.33
CC(C)CCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664865	1	35	-1.0	-35.78	303.77	3.45	-32.33
CC(CC1(O)CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664866	0	43	-1.0	-47.56	333.60	0.62	-46.94
CC(CC1(O)CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664866	1	43	-1.0	-47.54	333.66	0.64	-46.90
O=C(CCCC1=N[N-]N=N1)NCCCCCCCO	REAL250004664867	0	41	-1.0	-48.53	338.09	1.01	-47.52
O=C(CCCC1=NN=N[N-]1)NCCCCCCCO	REAL250004664867	1	41	-1.0	-48.52	338.14	1.02	-47.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCOC2=C1	REAL250004664868	0	34	-1.0	-48.54	289.15	3.20	-45.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCOC2=C1	REAL250004664868	1	34	-1.0	-48.51	289.21	3.22	-45.29
O=C(CCCC1=N[N-]N=N1)NCC1CC1C1CCCC1	REAL250004664869	0	42	-1.0	-46.79	329.73	5.02	-41.77
O=C(CCCC1=NN=N[N-]1)NCC1CC1C1CCCC1	REAL250004664869	1	42	-1.0	-46.78	329.78	5.03	-41.75
COC1CN(C(=O)CCCC2=N[N-]N=N2)CC12CC2	REAL250004664870	0	37	-1.0	-46.46	306.39	3.26	-43.20
COC1CN(C(=O)CCCC2=NN=N[N-]2)CC12CC2	REAL250004664870	1	37	-1.0	-46.50	306.45	3.28	-43.22
C[C@H](CF)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664872	0	28	-1.0	-37.47	256.87	1.24	-36.23
C[C@H](CF)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664872	1	28	-1.0	-37.45	256.94	1.25	-36.20
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004664873	0	39	-1.0	-50.80	324.88	1.57	-49.23
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004664873	1	39	-1.0	-50.81	324.94	1.59	-49.22
O=C(CCCC1=N[N-]N=N1)NCCCC1=CSC=C1	REAL250004664874	0	35	-1.0	-46.85	312.07	3.95	-42.90
O=C(CCCC1=NN=N[N-]1)NCCCC1=CSC=C1	REAL250004664874	1	35	-1.0	-46.90	312.13	3.97	-42.93
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)N2CCCCC12	REAL250004664875	0	40	-1.0	-48.16	309.06	3.71	-44.45
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)N2CCCCC12	REAL250004664875	1	40	-1.0	-48.15	309.12	3.72	-44.43
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)[C@H]2COC[C@H]21	REAL250004664876	0	41	-1.0	-47.82	314.77	3.70	-44.12
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)[C@H]2COC[C@H]21	REAL250004664876	1	41	-1.0	-47.83	314.83	3.72	-44.11
O=C(NC1CC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664877	0	29	-1.0	-36.73	263.22	1.78	-34.95
O=C(NC1CC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664877	1	29	-1.0	-36.73	263.29	1.78	-34.95
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCOC2=O)C1	REAL250004664878	0	36	-1.0	-56.27	299.86	3.70	-52.57
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCOC2=O)C1	REAL250004664878	1	36	-1.0	-56.31	299.92	3.71	-52.60
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1CC1)C1CC1	REAL250004664879	0	36	-1.0	-35.52	291.81	6.23	-29.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1CC1)C1CC1	REAL250004664879	1	36	-1.0	-35.50	291.85	6.23	-29.27
CN1N=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664880	0	31	-1.0	-48.48	273.82	-0.17	-48.65
CN1N=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664880	1	31	-1.0	-48.49	273.88	-0.15	-48.64
CN1N=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664881	0	31	-1.0	-39.44	284.41	-0.37	-39.81
CN1N=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664881	1	31	-1.0	-39.41	284.48	-0.37	-39.78
CC1=NC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN21	REAL250004664882	0	36	-1.0	-49.36	297.16	4.14	-45.22
CC1=NC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN21	REAL250004664882	1	36	-1.0	-49.37	297.22	4.16	-45.21
COC(=O)C[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664883	0	38	-1.0	-49.44	313.68	4.20	-45.24
COC(=O)C[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664883	1	38	-1.0	-49.41	313.74	4.21	-45.20
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664884	0	40	-1.0	-52.90	324.35	3.45	-49.45
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664884	1	40	-1.0	-52.96	324.41	3.46	-49.50
CCNC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664885	0	37	-1.0	-50.28	319.48	0.66	-49.62
CCNC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664885	1	37	-1.0	-50.30	319.54	0.67	-49.63
COC(=O)C[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664886	0	38	-1.0	-49.38	313.60	4.26	-45.12
COC(=O)C[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664886	1	38	-1.0	-49.40	313.66	4.28	-45.12
CNC(=O)[C@H](C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664887	0	35	-1.0	-50.28	289.99	0.87	-49.41
CNC(=O)[C@H](C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664887	1	35	-1.0	-50.30	290.04	0.89	-49.41
CNC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664888	0	35	-1.0	-41.94	296.87	1.21	-40.73
CNC(=O)[C@H](C)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664888	1	35	-1.0	-41.91	296.93	1.22	-40.69
CC(CC1=NC=CN1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664889	0	38	-1.0	-50.52	321.36	3.40	-47.12
CC(CC1=NC=CN1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664889	1	38	-1.0	-50.54	321.42	3.42	-47.12
CC(C)(O)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004664890	0	38	-1.0	-47.29	310.56	0.04	-47.25
CC(C)(O)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004664890	1	38	-1.0	-47.33	310.62	0.06	-47.27
CC(C)(O)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664891	0	38	-1.0	-36.70	321.16	-0.16	-36.86
CC(C)(O)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664891	1	38	-1.0	-36.66	321.22	-0.15	-36.81
CCC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004664892	0	42	-1.0	-47.10	338.36	7.20	-39.90
CCC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004664892	1	42	-1.0	-47.10	338.42	7.21	-39.89
CC1N(C(=O)CCCC2=N[N-]N=N2)CCC1(C)C	REAL250004664893	0	38	-1.0	-47.50	294.99	4.47	-43.03
CC1N(C(=O)CCCC2=NN=N[N-]2)CCC1(C)C	REAL250004664893	1	38	-1.0	-47.55	295.05	4.48	-43.07
CC1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(C)C	REAL250004664894	0	38	-1.0	-36.20	302.07	4.71	-31.49
CC1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(C)C	REAL250004664894	1	38	-1.0	-36.15	302.13	4.72	-31.43
CC1=NNC2=C1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004664895	0	36	-1.0	-51.73	287.60	3.09	-48.64
CC1=NNC2=C1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004664895	1	36	-1.0	-51.73	287.66	3.10	-48.63
CC(C)(O)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664896	0	39	-1.0	-48.54	313.61	0.90	-47.64
CC(C)(O)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664896	1	39	-1.0	-48.50	313.67	0.91	-47.59
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1F	REAL250004664897	0	38	-1.0	-45.81	304.70	4.16	-41.65
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1F	REAL250004664897	1	38	-1.0	-45.83	304.76	4.18	-41.65
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)C(F)(F)C1	REAL250004664898	0	33	-1.0	-53.92	278.68	0.73	-53.19
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C(F)(F)C1	REAL250004664898	1	33	-1.0	-53.93	278.73	0.75	-53.18
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1CC1	REAL250004664899	0	39	-1.0	-47.30	311.49	5.32	-41.98
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1CC1	REAL250004664899	1	39	-1.0	-47.35	311.55	5.34	-42.01
O=C(N[C@@H]1CCC[C@@H]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664900	0	39	-1.0	-35.26	321.78	4.92	-30.34
O=C(N[C@@H]1CCC[C@@H]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664900	1	39	-1.0	-35.28	321.85	4.93	-30.35
O=C(CCCC1=N[N-]N=N1)NCCN1CCOC1=O	REAL250004664901	0	34	-1.0	-58.10	295.45	0.63	-57.47
O=C(CCCC1=NN=N[N-]1)NCCN1CCOC1=O	REAL250004664901	1	34	-1.0	-58.12	295.51	0.65	-57.47
CN(C)C(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664902	0	37	-1.0	-50.86	317.12	2.21	-48.65
CN(C)C(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664902	1	37	-1.0	-50.82	317.18	2.23	-48.59
C#CCOC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664903	0	32	-1.0	-38.23	296.07	2.47	-35.76
C#CCOC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664903	1	32	-1.0	-38.22	296.13	2.48	-35.74
CC1=NC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004664904	0	34	-1.0	-50.48	299.03	1.17	-49.31
CC1=NC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004664904	1	34	-1.0	-50.50	299.09	1.18	-49.32
O=C(NCC#CC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664905	0	31	-1.0	-35.64	289.30	3.29	-32.35
O=C(NCC#CC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664905	1	31	-1.0	-35.67	289.37	3.30	-32.37
O=C(CCCC1=N[N-]N=N1)NC1CC12CCC1=CC=CC=C12	REAL250004664906	0	40	-1.0	-46.63	330.64	6.15	-40.48
O=C(CCCC1=NN=N[N-]1)NC1CC12CCC1=CC=CC=C12	REAL250004664906	1	40	-1.0	-46.58	330.70	6.17	-40.41
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1N1C=CC=N1	REAL250004664907	0	39	-1.0	-49.00	317.19	3.79	-45.21
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1N1C=CC=N1	REAL250004664907	1	39	-1.0	-48.95	317.13	3.77	-45.18
CN1C=CC(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664908	0	41	-1.0	-54.73	337.04	3.31	-51.42
CN1C=CC(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664908	1	41	-1.0	-54.74	336.98	3.29	-51.45
CCN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004664909	0	37	-1.0	-58.20	318.78	1.57	-56.63
CCN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004664909	1	37	-1.0	-58.22	318.84	1.58	-56.64
CNC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664910	0	34	-1.0	-50.97	297.99	-0.19	-51.16
CNC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664910	1	34	-1.0	-50.95	298.05	-0.18	-51.13
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NC=CC(=O)N2)C1	REAL250004664911	0	35	-1.0	-54.11	306.21	1.84	-52.27
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NC=CC(=O)N2)C1	REAL250004664911	1	35	-1.0	-54.11	306.27	1.85	-52.26
O=C(CCCC1=N[N-]N=N1)N1C[C@@]2(CO)CC[C@@]2(CO)C1	REAL250004664912	0	41	-1.0	-51.89	329.07	-1.42	-53.31
O=C(CCCC1=NN=N[N-]1)N1C[C@@]2(CO)CC[C@@]2(CO)C1	REAL250004664912	1	41	-1.0	-51.88	329.12	-1.40	-53.28
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](C2CC2)[C@H](O)C1	REAL250004664913	0	37	-1.0	-47.62	305.10	1.60	-46.02
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](C2CC2)[C@H](O)C1	REAL250004664913	1	37	-1.0	-47.61	305.16	1.61	-46.00
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1CCO	REAL250004664914	0	42	-1.0	-49.24	326.17	1.68	-47.56
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1CCO	REAL250004664914	1	42	-1.0	-49.28	326.23	1.70	-47.58
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2(CC2)C1	REAL250004664915	0	42	-1.0	-46.01	332.68	5.19	-40.82
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2(CC2)C1	REAL250004664915	1	42	-1.0	-46.06	332.74	5.20	-40.86
CC1(CNC(=O)CCCC2=N[N-]N=N2)C=CCCC1	REAL250004664916	0	39	-1.0	-45.98	307.02	4.37	-41.61
CC1(CNC(=O)CCCC2=NN=N[N-]2)C=CCCC1	REAL250004664916	1	39	-1.0	-45.98	307.08	4.38	-41.60
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CCCC1	REAL250004664917	0	39	-1.0	-35.04	317.61	4.15	-30.89
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CCCC1	REAL250004664917	1	39	-1.0	-35.04	317.68	4.16	-30.88
COCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004664918	0	40	-1.0	-47.81	323.69	1.84	-45.97
COCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004664918	1	40	-1.0	-47.82	323.74	1.85	-45.97
CCN1N=CC=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664919	0	38	-1.0	-47.61	320.00	2.70	-44.91
CCN1N=CC=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664919	1	38	-1.0	-47.66	320.06	2.72	-44.94
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCC2	REAL250004664920	0	39	-1.0	-48.35	301.00	5.34	-43.01
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCC2	REAL250004664920	1	39	-1.0	-48.36	301.06	5.35	-43.01
CNS(=O)(=O)CCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004664921	0	36	-1.0	-55.54	315.36	-1.21	-56.75
CNS(=O)(=O)CCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004664921	1	36	-1.0	-55.55	315.42	-1.20	-56.75
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(O)=CC=C2C1	REAL250004664922	0	37	-1.0	-48.64	306.49	2.90	-45.74
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(O)=CC=C2C1	REAL250004664922	1	37	-1.0	-48.66	306.55	2.92	-45.74
CCN1C=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004664923	0	39	-1.0	-51.58	334.00	-0.29	-51.87
CCN1C=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004664923	1	39	-1.0	-51.57	333.95	-0.30	-51.87
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004664924	0	40	-1.0	-52.94	324.35	3.45	-49.49
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004664924	1	40	-1.0	-52.91	324.41	3.46	-49.45
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004664925	0	38	-1.0	-48.36	321.99	4.92	-43.44
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004664925	1	38	-1.0	-48.39	322.05	4.94	-43.45
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664926	0	39	-1.0	-47.32	304.67	1.95	-45.37
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664926	1	39	-1.0	-47.31	304.72	1.97	-45.34
CC(C)CC1(CN(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664927	0	44	-1.0	-47.01	336.93	6.72	-40.29
CC(C)CC1(CN(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664927	1	44	-1.0	-46.99	336.99	6.73	-40.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2OC=CC(=O)C2=C1	REAL250004664928	0	34	-1.0	-65.19	300.22	3.49	-61.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2OC=CC(=O)C2=C1	REAL250004664928	1	34	-1.0	-65.17	300.28	3.50	-61.67
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(F)C=C1O	REAL250004664929	0	33	-1.0	-46.86	295.44	0.72	-46.14
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1O	REAL250004664929	1	33	-1.0	-46.82	295.50	0.74	-46.08
O=C(CCCC1=N[N-]N=N1)NC1CCC1N1CCOCC1	REAL250004664930	0	42	-1.0	-46.24	333.54	1.33	-44.91
O=C(CCCC1=NN=N[N-]1)NC1CCC1N1CCOCC1	REAL250004664930	1	42	-1.0	-46.24	333.60	1.34	-44.90
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@@H]1CO	REAL250004664931	0	34	-1.0	-48.57	281.25	-2.30	-50.87
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@@H]1CO	REAL250004664931	1	34	-1.0	-48.58	281.31	-2.29	-50.87
O=C(N[C@@H]1COC[C@@H]1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664932	0	34	-1.0	-35.77	291.83	-2.52	-38.29
O=C(N[C@@H]1COC[C@@H]1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664932	1	34	-1.0	-35.76	291.90	-2.51	-38.27
CN1N=C(C2CC2)N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664933	0	38	-1.0	-48.46	328.53	3.13	-45.33
CN1N=C(C2CC2)N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664933	1	38	-1.0	-48.50	328.58	3.14	-45.36
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664934	0	39	-1.0	-47.23	304.08	1.99	-45.24
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664934	1	39	-1.0	-47.25	304.13	2.00	-45.25
CCC(CS(C)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004664935	0	37	-1.0	-59.40	313.94	-0.00	-59.40
CCC(CS(C)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004664935	1	37	-1.0	-59.43	314.00	0.02	-59.41
CC(C)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664936	0	39	-1.0	-48.43	310.13	1.48	-46.95
CC(C)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664936	1	39	-1.0	-48.44	310.19	1.50	-46.94
CN(O)C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664937	0	30	-1.0	-41.15	278.30	-2.67	-43.82
CN(O)C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664937	1	30	-1.0	-41.07	278.37	-2.66	-43.73
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=C(F)C=C1F	REAL250004664938	0	34	-1.0	-48.77	307.33	2.50	-46.27
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=C(F)C=C1F	REAL250004664938	1	34	-1.0	-48.75	307.38	2.52	-46.23
C=CCCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664939	0	35	-1.0	-35.82	300.76	5.09	-30.73
C=CCCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664939	1	35	-1.0	-35.81	300.84	5.12	-30.69
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCO2)C1	REAL250004664940	0	40	-1.0	-50.53	311.70	3.77	-46.76
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCO2)C1	REAL250004664940	1	40	-1.0	-50.53	311.75	3.79	-46.74
O=C(CCCC1=N[N-]N=N1)NCCN1CCOCC1=O	REAL250004664941	0	37	-1.0	-53.42	311.95	-0.23	-53.65
O=C(CCCC1=NN=N[N-]1)NCCN1CCOCC1=O	REAL250004664941	1	37	-1.0	-53.39	312.01	-0.21	-53.60
C#CCS(=O)(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664942	0	33	-1.0	-63.54	310.05	-0.58	-64.12
C#CCS(=O)(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664942	1	33	-1.0	-63.51	310.11	-0.57	-64.08
CC(NC(=O)CCCC1=N[N-]N=N1)C1CSC1	REAL250004664943	0	33	-1.0	-47.64	286.43	2.90	-44.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1CSC1	REAL250004664943	1	33	-1.0	-47.66	286.48	2.91	-44.75
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CSC1	REAL250004664944	0	33	-1.0	-36.63	297.85	2.78	-33.85
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CSC1	REAL250004664944	1	33	-1.0	-36.63	297.92	2.81	-33.82
CC(NC(=O)CCCC1=N[N-]N=N1)C1CSC1	REAL250004664945	0	33	-1.0	-47.64	286.43	2.90	-44.74
CC(NC(=O)CCCC1=NN=N[N-]1)C1CSC1	REAL250004664945	1	33	-1.0	-47.66	286.48	2.91	-44.75
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CSC1	REAL250004664946	0	33	-1.0	-36.63	297.85	2.78	-33.85
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CSC1	REAL250004664946	1	33	-1.0	-36.63	297.92	2.81	-33.82
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2OC(=O)O[C@H]2C1	REAL250004664947	0	31	-1.0	-61.63	270.42	2.63	-59.00
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2OC(=O)O[C@H]2C1	REAL250004664947	1	31	-1.0	-61.68	270.48	2.64	-59.04
O=C(NCC1CC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664948	0	32	-1.0	-36.34	284.61	2.42	-33.92
O=C(NCC1CC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664948	1	32	-1.0	-36.29	284.68	2.42	-33.87
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(C2CC2)O1	REAL250004664949	0	43	-1.0	-46.50	346.80	3.95	-42.55
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(C2CC2)O1	REAL250004664949	1	43	-1.0	-46.52	346.86	3.97	-42.55
CCC1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664950	0	41	-1.0	-48.01	334.74	5.37	-42.64
CCC1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664950	1	41	-1.0	-48.03	334.80	5.38	-42.65
COC(=O)C1CCC(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004664951	0	41	-1.0	-53.94	326.83	5.78	-48.16
COC(=O)C1CCC(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004664951	1	41	-1.0	-53.96	326.89	5.79	-48.17
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CNC(=O)C2	REAL250004664952	0	37	-1.0	-55.13	308.12	0.01	-55.12
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CNC(=O)C2	REAL250004664952	1	37	-1.0	-55.17	308.17	0.03	-55.14
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2COC[C@H]12	REAL250004664953	0	34	-1.0	-47.29	277.91	1.68	-45.61
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2COC[C@H]12	REAL250004664953	1	34	-1.0	-47.27	277.97	1.69	-45.58
O=C(N[C@@H]1C[C@@H]2COC[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664954	0	34	-1.0	-37.76	282.98	1.89	-35.87
O=C(N[C@@H]1C[C@@H]2COC[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664954	1	34	-1.0	-37.74	283.04	1.90	-35.84
O=C(CCCC1=N[N-]N=N1)NCC(CO)C(F)(F)F	REAL250004664955	0	32	-1.0	-47.53	283.24	-0.66	-48.19
O=C(CCCC1=NN=N[N-]1)NCC(CO)C(F)(F)F	REAL250004664955	1	32	-1.0	-47.52	283.30	-0.64	-48.16
O=C(CCCC1=N[N-]N=N1)NC1C2CCOCC21	REAL250004664956	0	34	-1.0	-46.25	275.47	2.30	-43.95
O=C(CCCC1=NN=N[N-]1)NC1C2CCOCC21	REAL250004664956	1	34	-1.0	-46.26	275.52	2.32	-43.94
O=C(NC1C2CCOCC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664957	0	34	-1.0	-37.13	286.06	2.10	-35.03
O=C(NC1C2CCOCC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664957	1	34	-1.0	-37.08	286.13	2.11	-34.97
COC1(OC)CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664958	0	40	-1.0	-47.59	329.21	1.43	-46.16
COC1(OC)CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664958	1	40	-1.0	-47.58	329.27	1.45	-46.13
O=C(CCCC1=N[N-]N=N1)N1CCCC2(COC2)C1	REAL250004664959	0	37	-1.0	-50.69	294.37	2.58	-48.11
O=C(CCCC1=NN=N[N-]1)N1CCCC2(COC2)C1	REAL250004664959	1	37	-1.0	-50.70	294.43	2.60	-48.10
CN1C=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)N=N1	REAL250004664960	0	38	-1.0	-58.03	317.58	3.70	-54.33
CN1C=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)N=N1	REAL250004664960	1	38	-1.0	-58.08	317.64	3.71	-54.37
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004664961	0	41	-1.0	-47.66	337.70	3.84	-43.82
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004664961	1	41	-1.0	-47.65	337.76	3.85	-43.80
O=C(CCCC1=N[N-]N=N1)NCC1(CC(F)F)CCC1	REAL250004664962	0	38	-1.0	-47.20	313.58	3.89	-43.31
O=C(CCCC1=NN=N[N-]1)NCC1(CC(F)F)CCC1	REAL250004664962	1	38	-1.0	-47.25	313.64	3.91	-43.34
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1F	REAL250004664963	0	33	-1.0	-46.82	282.16	1.92	-44.90
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1F	REAL250004664963	1	33	-1.0	-46.84	282.22	1.94	-44.90
CO[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1F	REAL250004664964	0	33	-1.0	-35.67	289.93	2.10	-33.57
CO[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1F	REAL250004664964	1	33	-1.0	-35.67	290.00	2.10	-33.57
CC(C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664965	0	40	-1.0	-45.40	304.41	4.57	-40.83
CC(C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664965	1	40	-1.0	-45.44	304.47	4.58	-40.86
O=C(CCCC1=N[N-]N=N1)NCC1=CN=CC2=C1CCC2	REAL250004664966	0	38	-1.0	-46.93	318.98	3.56	-43.37
O=C(CCCC1=NN=N[N-]1)NCC1=CN=CC2=C1CCC2	REAL250004664966	1	38	-1.0	-46.92	319.04	3.58	-43.34
COC(=O)CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004664967	0	37	-1.0	-48.25	310.91	2.64	-45.61
COC(=O)CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004664967	1	37	-1.0	-48.22	310.97	2.66	-45.56
CC(C)(C#CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004664968	0	40	-1.0	-45.43	340.51	6.22	-39.21
CC(C)(C#CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004664968	1	40	-1.0	-45.47	340.57	6.23	-39.24
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004664969	0	39	-1.0	-48.61	323.08	1.45	-47.16
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004664969	1	39	-1.0	-48.61	323.14	1.46	-47.15
CCC1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004664970	0	32	-1.0	-38.92	282.86	3.41	-35.51
CCC1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004664970	1	32	-1.0	-38.97	282.93	3.42	-35.55
C#CC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664971	0	28	-1.0	-39.54	260.97	3.16	-36.38
C#CC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664971	1	28	-1.0	-39.48	261.04	3.16	-36.32
O=C(CCCC1=N[N-]N=N1)N1CCC12CCCOC2	REAL250004664973	0	37	-1.0	-52.55	295.87	3.86	-48.69
O=C(CCCC1=NN=N[N-]1)N1CCC12CCCOC2	REAL250004664973	1	37	-1.0	-52.59	295.93	3.87	-48.72
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CF)=C1	REAL250004664974	0	32	-1.0	-48.29	281.27	4.17	-44.12
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CF)=C1	REAL250004664974	1	32	-1.0	-48.30	281.33	4.18	-44.12
O=C(NC1=CC=CC(CF)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664975	0	32	-1.0	-36.87	291.92	3.97	-32.90
O=C(NC1=CC=CC(CF)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664975	1	32	-1.0	-36.87	291.86	3.95	-32.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CC2)CO1	REAL250004664976	0	31	-1.0	-38.49	275.93	3.08	-35.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CC2)CO1	REAL250004664976	1	31	-1.0	-38.45	276.00	3.09	-35.36
CC1=CC=CC=C1C(CF)NC(=O)CCCC1=N[N-]N=N1	REAL250004664977	0	38	-1.0	-49.60	317.22	5.00	-44.60
CC1=CC=CC=C1C(CF)NC(=O)CCCC1=NN=N[N-]1	REAL250004664977	1	38	-1.0	-49.59	317.28	5.02	-44.57
CC(C)(C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004664978	0	47	-1.0	-46.99	361.12	6.65	-40.34
CC(C)(C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004664978	1	47	-1.0	-46.99	361.18	6.67	-40.32
O=C(CCCC1=N[N-]N=N1)N1CCC(C(O)CO)CC1	REAL250004664979	0	40	-1.0	-52.66	316.57	-1.50	-54.16
O=C(CCCC1=NN=N[N-]1)N1CCC(C(O)CO)CC1	REAL250004664979	1	40	-1.0	-52.69	316.63	-1.49	-54.18
O=C(CCCC1=N[N-]N=N1)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	REAL250004664980	0	40	-1.0	-46.49	308.29	2.61	-43.88
O=C(CCCC1=NN=N[N-]1)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	REAL250004664980	1	40	-1.0	-46.50	308.35	2.63	-43.87
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)CC1CO	REAL250004664981	0	40	-1.0	-49.52	316.26	3.63	-45.89
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)CC1CO	REAL250004664981	1	40	-1.0	-49.57	316.32	3.65	-45.92
O=C(CCCC1=N[N-]N=N1)N1C2CCC(C2)C1CO	REAL250004664982	0	37	-1.0	-51.53	292.02	3.02	-48.51
O=C(CCCC1=NN=N[N-]1)N1C2CCC(C2)C1CO	REAL250004664982	1	37	-1.0	-51.56	292.07	3.04	-48.52
CC1(C)C(CO)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664983	0	39	-1.0	-47.68	304.68	1.28	-46.40
CC1(C)C(CO)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664983	1	39	-1.0	-47.64	304.74	1.30	-46.34
CCC1CC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004664984	0	42	-1.0	-46.20	326.73	5.95	-40.25
CCC1CC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004664984	1	42	-1.0	-46.21	326.79	5.96	-40.25
CC1=NOC(C(CO)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664985	0	34	-1.0	-46.96	301.28	-3.39	-50.35
CC1=NOC(C(CO)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664985	1	34	-1.0	-46.94	301.34	-3.37	-50.31
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CCOC2)O1	REAL250004664986	0	41	-1.0	-49.17	331.31	0.88	-48.29
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CCOC2)O1	REAL250004664986	1	41	-1.0	-49.16	331.37	0.90	-48.26
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004664988	0	32	-1.0	-45.62	290.95	3.22	-42.40
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004664988	1	32	-1.0	-45.64	291.00	3.23	-42.41
CC1(CNC(=O)CCCC2=N[N-]N=N2)COCCO1	REAL250004664989	0	37	-1.0	-46.91	298.36	0.41	-46.50
CC1(CNC(=O)CCCC2=NN=N[N-]2)COCCO1	REAL250004664989	1	37	-1.0	-46.92	298.42	0.42	-46.50
O=C(CCCC1=N[N-]N=N1)NC1=NC(N2CCCC2)=NN1	REAL250004664990	0	37	-1.0	-47.53	307.74	4.53	-43.00
O=C(CCCC1=NN=N[N-]1)NC1=NC(N2CCCC2)=NN1	REAL250004664990	1	37	-1.0	-47.53	307.80	4.54	-42.99
O=C(CCCC1=N[N-]N=N1)N1CCCC(C(F)F)C1	REAL250004664991	0	35	-1.0	-46.32	288.29	4.39	-41.93
O=C(CCCC1=NN=N[N-]1)N1CCCC(C(F)F)C1	REAL250004664991	1	35	-1.0	-46.36	288.35	4.41	-41.95
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC(=O)N1	REAL250004664992	0	33	-1.0	-52.88	281.64	-0.82	-53.70
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC(=O)N1	REAL250004664992	1	33	-1.0	-52.94	281.70	-0.81	-53.75
O=C(NC[C@H]1CCC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664993	0	33	-1.0	-42.80	292.08	-0.99	-43.79
O=C(NC[C@H]1CCC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664993	1	33	-1.0	-42.76	292.14	-0.98	-43.74
O=C(CCCC1=NN=N[N-]1)NCCCN1C=NN=N1	REAL250004664994	0	33	-1.0	-54.40	291.66	1.42	-52.98
O=C(CCCC1=N[N-]N=N1)NCCCN1C=NN=N1	REAL250004664994	1	33	-1.0	-54.37	291.61	1.41	-52.96
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)C1	REAL250004664995	0	35	-1.0	-47.18	290.73	3.24	-43.94
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)C1	REAL250004664995	1	35	-1.0	-47.16	290.79	3.26	-43.90
O=C(NCC1CCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664996	0	35	-1.0	-36.61	301.71	3.03	-33.58
O=C(NCC1CCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664996	1	35	-1.0	-36.56	301.77	3.03	-33.53
O=C(CCCC1=N[N-]N=N1)NCCC1COCCO1	REAL250004664997	0	37	-1.0	-50.26	306.06	0.49	-49.77
O=C(CCCC1=NN=N[N-]1)NCCC1COCCO1	REAL250004664997	1	37	-1.0	-50.29	306.12	0.50	-49.79
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CCC2)C1	REAL250004664998	0	40	-1.0	-47.21	313.42	1.94	-45.27
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CCC2)C1	REAL250004664998	1	40	-1.0	-47.23	313.47	1.95	-45.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CCCC2)C=C1	REAL250004664999	0	42	-1.0	-47.84	336.79	6.54	-41.30
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CCCC2)C=C1	REAL250004664999	1	42	-1.0	-47.84	336.84	6.55	-41.29
O=C(CCCC1=N[N-]N=N1)NCC1CCC(F)C1	REAL250004665000	0	35	-1.0	-47.18	290.73	3.24	-43.94
O=C(CCCC1=NN=N[N-]1)NCC1CCC(F)C1	REAL250004665000	1	35	-1.0	-47.16	290.79	3.26	-43.90
O=C(NCC1CCC(F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665001	0	35	-1.0	-36.61	301.71	3.03	-33.58
O=C(NCC1CCC(F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665001	1	35	-1.0	-36.56	301.77	3.03	-33.53
CC1(C)[C@@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004665002	0	39	-1.0	-45.99	308.62	4.27	-41.72
CC1(C)[C@@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004665002	1	39	-1.0	-45.98	308.68	4.29	-41.69
CC1(C)[C@@H]2C[C@@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004665003	0	39	-1.0	-35.02	319.47	4.08	-30.94
CC1(C)[C@@H]2C[C@@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004665003	1	39	-1.0	-35.03	319.54	4.09	-30.94
CN(CCCC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004665004	0	40	-1.0	-50.11	334.37	5.38	-44.73
CN(CCCC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004665004	1	40	-1.0	-50.10	334.43	5.40	-44.70
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004665005	0	41	-1.0	-44.69	336.28	4.32	-40.37
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004665005	1	41	-1.0	-44.69	336.34	4.33	-40.36
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004665006	0	34	-1.0	-47.13	276.88	0.82	-46.31
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2C[C@]2(O)C1	REAL250004665006	1	34	-1.0	-47.11	276.93	0.83	-46.28
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL250004665008	0	35	-1.0	-46.57	300.48	4.38	-42.19
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL250004665008	1	35	-1.0	-46.62	300.54	4.39	-42.23
CC1(C)SCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665009	0	39	-1.0	-48.16	318.48	3.87	-44.29
CC1(C)SCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665009	1	39	-1.0	-48.17	318.54	3.88	-44.29
NC(=O)[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665010	0	36	-1.0	-54.99	292.40	0.25	-54.74
NC(=O)[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665010	1	36	-1.0	-55.01	292.46	0.27	-54.74
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004665011	0	33	-1.0	-47.13	280.26	0.21	-46.92
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](F)[C@H](CO)C1	REAL250004665011	1	33	-1.0	-47.14	280.32	0.22	-46.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004665012	0	33	-1.0	-36.72	287.70	0.44	-36.28
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](F)[C@H](CO)C1	REAL250004665012	1	33	-1.0	-36.69	287.77	0.45	-36.24
CN1C(=O)C[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)CC[C@H]21	REAL250004665013	0	40	-1.0	-52.66	313.10	3.12	-49.54
CN1C(=O)C[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC[C@H]21	REAL250004665013	1	40	-1.0	-52.69	313.16	3.13	-49.56
O=C(CCCC1=N[N-]N=N1)N1CCOC2(CCC2)CC1	REAL250004665014	0	40	-1.0	-46.39	301.04	4.55	-41.84
O=C(CCCC1=NN=N[N-]1)N1CCOC2(CCC2)CC1	REAL250004665014	1	40	-1.0	-46.42	301.10	4.56	-41.86
COC(=O)CCC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665015	0	41	-1.0	-51.05	343.73	4.13	-46.92
COC(=O)CCC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665015	1	41	-1.0	-51.03	343.79	4.15	-46.88
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004665016	0	38	-1.0	-45.00	314.49	3.40	-41.60
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004665016	1	38	-1.0	-45.04	314.54	3.41	-41.63
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC=CCO2	REAL250004665017	0	35	-1.0	-46.75	292.76	2.83	-43.92
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC=CCO2	REAL250004665017	1	35	-1.0	-46.74	292.81	2.85	-43.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CC=CCO2	REAL250004665018	0	35	-1.0	-39.53	299.17	2.61	-36.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CC=CCO2	REAL250004665018	1	35	-1.0	-39.52	299.23	2.62	-36.90
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCCCO2	REAL250004665019	0	37	-1.0	-49.71	299.73	2.86	-46.85
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCCCO2	REAL250004665019	1	37	-1.0	-49.68	299.79	2.88	-46.80
COC(=O)C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665020	0	32	-1.0	-53.94	289.06	1.30	-52.64
COC(=O)C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665020	1	32	-1.0	-53.99	289.11	1.32	-52.67
COCC(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665021	0	32	-1.0	-38.35	289.77	0.28	-38.07
COCC(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665021	1	32	-1.0	-38.34	289.83	0.29	-38.05
CC1=NN=C(CCCNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004665022	0	36	-1.0	-51.68	323.27	1.80	-49.88
CC1=NN=C(CCCNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004665022	1	36	-1.0	-51.67	323.33	1.82	-49.85
CCC1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004665023	0	42	-1.0	-46.84	338.37	7.20	-39.64
CCC1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004665023	1	42	-1.0	-46.88	338.42	7.21	-39.67
N#CC1=CC=C(F)C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665024	0	32	-1.0	-49.39	296.22	3.45	-45.94
N#CC1=CC=C(F)C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665024	1	32	-1.0	-49.37	296.28	3.46	-45.91
NC(=O)C1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665025	0	35	-1.0	-55.55	304.43	-0.25	-55.80
NC(=O)C1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665025	1	35	-1.0	-55.60	304.49	-0.24	-55.84
N#CC1=CC(F)=CC(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665026	0	32	-1.0	-47.60	297.16	3.44	-44.16
N#CC1=CC(F)=CC(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665026	1	32	-1.0	-47.61	297.22	3.45	-44.16
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1CCCC1	REAL250004665027	0	42	-1.0	-49.33	328.61	5.97	-43.36
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1CCCC1	REAL250004665027	1	42	-1.0	-49.36	328.67	5.98	-43.38
CC1=CC=C(C2C(C)CN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004665028	0	42	-1.0	-50.17	343.47	7.10	-43.07
CC1=CC=C(C2C(C)CN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004665028	1	42	-1.0	-50.17	343.53	7.11	-43.06
CCC1=C(C)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004665029	0	34	-1.0	-52.67	301.67	4.00	-48.67
CCC1=C(C)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004665029	1	34	-1.0	-52.71	301.72	4.02	-48.69
CC(CC(N)=O)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665030	0	35	-1.0	-59.01	286.62	0.80	-58.21
CC(CC(N)=O)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665030	1	35	-1.0	-59.01	286.68	0.81	-58.20
COC(=O)C1C(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665031	0	38	-1.0	-53.77	316.73	4.39	-49.38
COC(=O)C1C(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665031	1	38	-1.0	-53.78	316.78	4.40	-49.38
O=C(CCCC1=N[N-]N=N1)NCC1CC=CCO1	REAL250004665032	0	34	-1.0	-46.89	285.91	1.48	-45.41
O=C(CCCC1=NN=N[N-]1)NCC1CC=CCO1	REAL250004665032	1	34	-1.0	-46.89	285.97	1.49	-45.40
O=C(NCC1CC=CCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665033	0	34	-1.0	-36.41	296.76	1.23	-35.18
O=C(NCC1CC=CCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665033	1	34	-1.0	-36.36	296.83	1.23	-35.13
O=C(CCCC1=N[N-]N=N1)NCC1C(F)(F)C12CCC2	REAL250004665034	0	36	-1.0	-48.04	311.28	4.09	-43.95
O=C(CCCC1=NN=N[N-]1)NCC1C(F)(F)C12CCC2	REAL250004665034	1	36	-1.0	-48.09	311.33	4.10	-43.99
CC1=CC(C)=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL250004665035	0	42	-1.0	-48.45	334.15	6.95	-41.50
CC1=CC(C)=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL250004665035	1	42	-1.0	-48.48	334.20	6.97	-41.51
CC1=CSC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665036	0	35	-1.0	-47.34	309.05	5.37	-41.97
CC1=CSC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665036	1	35	-1.0	-47.30	309.11	5.38	-41.92
CCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004665037	0	34	-1.0	-48.54	290.40	3.02	-45.52
CCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004665037	1	34	-1.0	-48.53	290.46	3.04	-45.49
C=CCC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004665038	0	42	-1.0	-47.86	349.67	6.11	-41.75
C=CCC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004665038	1	42	-1.0	-47.84	349.73	6.13	-41.71
CNC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004665039	0	32	-1.0	-57.33	298.90	0.32	-57.01
CNC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004665039	1	32	-1.0	-57.27	298.84	0.30	-56.97
CNC(=O)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665040	0	36	-1.0	-59.34	314.04	0.69	-58.65
CNC(=O)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665040	1	36	-1.0	-59.33	313.99	0.68	-58.65
CCC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004665041	0	42	-1.0	-48.28	331.67	6.92	-41.36
CCC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004665041	1	42	-1.0	-48.35	331.72	6.94	-41.41
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CCC[C@]2(CO)C1	REAL250004665042	0	43	-1.0	-47.51	334.61	1.50	-46.01
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CCC[C@]2(CO)C1	REAL250004665042	1	43	-1.0	-47.55	334.67	1.52	-46.03
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2OCC[C@@H]2C1	REAL250004665043	0	40	-1.0	-46.83	305.47	3.66	-43.17
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2OCC[C@@H]2C1	REAL250004665043	1	40	-1.0	-46.82	305.53	3.67	-43.15
O=C(CCCC1=N[N-]N=N1)NCCCOC(F)(F)F	REAL250004665044	0	32	-1.0	-46.66	292.68	0.87	-45.79
O=C(CCCC1=NN=N[N-]1)NCCCOC(F)(F)F	REAL250004665044	1	32	-1.0	-46.67	292.74	0.89	-45.78
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC	REAL250004665045	0	35	-1.0	-45.43	300.23	2.56	-42.87
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC	REAL250004665045	1	35	-1.0	-45.47	300.28	2.58	-42.89
CCC1(CC)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665046	0	41	-1.0	-46.70	319.47	4.11	-42.59
CCC1(CC)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665046	1	41	-1.0	-46.74	319.53	4.13	-42.61
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H]2OCCC[C@H]12	REAL250004665047	0	37	-1.0	-46.86	292.31	2.18	-44.68
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2OCCC[C@H]12	REAL250004665047	1	37	-1.0	-46.89	292.36	2.19	-44.70
N#CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004665048	0	32	-1.0	-50.36	296.66	3.40	-46.96
N#CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004665048	1	32	-1.0	-50.40	296.71	3.42	-46.98
CC1=NC=CN=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004665049	0	32	-1.0	-47.34	280.05	1.11	-46.23
CC1=NC=CN=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004665049	1	32	-1.0	-47.36	280.11	1.12	-46.24
CC1=NC=CN=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665050	0	32	-1.0	-37.50	290.65	0.89	-36.61
CC1=NC=CN=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665050	1	32	-1.0	-37.47	290.71	0.89	-36.58
COC(=O)C1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=C1	REAL250004665051	0	35	-1.0	-51.44	313.16	2.21	-49.23
COC(=O)C1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=C1	REAL250004665051	1	35	-1.0	-51.46	313.22	2.22	-49.24
CN(CC1COC(C)(C)OC1)C(=O)CCCC1=N[N-]N=N1	REAL250004665052	0	43	-1.0	-48.86	332.28	3.32	-45.54
CN(CC1COC(C)(C)OC1)C(=O)CCCC1=NN=N[N-]1	REAL250004665052	1	43	-1.0	-48.86	332.34	3.34	-45.52
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC2CCC2)N=C1	REAL250004665053	0	39	-1.0	-53.24	324.72	4.04	-49.20
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC2CCC2)N=C1	REAL250004665053	1	39	-1.0	-53.21	324.67	4.02	-49.19
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CN2C=CN=C12	REAL250004665054	0	35	-1.0	-54.57	305.58	3.98	-50.59
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CN2C=CN=C12	REAL250004665054	1	35	-1.0	-54.59	305.64	4.00	-50.59
CC(C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665055	0	38	-1.0	-47.44	308.04	4.74	-42.70
CC(C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665055	1	38	-1.0	-47.48	308.10	4.75	-42.73
CC(C)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665056	0	38	-1.0	-36.72	316.01	4.68	-32.04
CC(C)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665056	1	38	-1.0	-36.69	316.08	4.69	-32.00
CC1=NOC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004665057	0	34	-1.0	-49.00	293.00	2.23	-46.77
CC1=NOC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004665057	1	34	-1.0	-49.07	293.06	2.25	-46.82
CC1=NOC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL250004665058	0	34	-1.0	-38.46	301.03	2.16	-36.30
CC1=NOC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL250004665058	1	34	-1.0	-38.39	301.10	2.17	-36.22
CC(C)[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665059	0	35	-1.0	-36.32	297.81	-0.63	-36.95
CC(C)[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665059	1	35	-1.0	-36.33	297.88	-0.61	-36.94
COCC1(CCNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004665060	0	45	-1.0	-46.77	351.54	3.34	-43.43
COCC1(CCNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004665060	1	45	-1.0	-46.84	351.59	3.35	-43.49
O=C(CCCC1=N[N-]N=N1)NCCC[C@@H]1NC(=O)NC1=O	REAL250004665061	0	37	-1.0	-55.29	320.02	-2.52	-57.81
O=C(CCCC1=NN=N[N-]1)NCCC[C@@H]1NC(=O)NC1=O	REAL250004665061	1	37	-1.0	-55.31	320.08	-2.51	-57.82
O=C(CCCC1=N[N-]N=N1)NNC1=CN=C(Cl)C=N1	REAL250004665062	0	29	-1.0	-45.80	278.88	0.85	-44.95
O=C(CCCC1=NN=N[N-]1)NNC1=CN=C(Cl)C=N1	REAL250004665062	1	29	-1.0	-45.79	278.94	0.87	-44.92
CC(F)(F)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665063	0	32	-1.0	-49.40	279.84	3.54	-45.86
CC(F)(F)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665063	1	32	-1.0	-49.40	279.90	3.55	-45.85
CC(F)(F)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665064	0	32	-1.0	-36.99	287.85	3.47	-33.52
CC(F)(F)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665064	1	32	-1.0	-36.94	287.92	3.48	-33.46
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@@H](CO)C[C@@H]21	REAL250004665065	0	37	-1.0	-51.34	300.53	1.24	-50.10
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@@H](CO)C[C@@H]21	REAL250004665065	1	37	-1.0	-51.36	300.59	1.26	-50.10
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC=C1Cl	REAL250004665067	0	31	-1.0	-46.59	288.82	2.13	-44.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC=C1Cl	REAL250004665067	1	31	-1.0	-46.57	288.87	2.15	-44.42
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004665068	0	36	-1.0	-57.19	297.14	0.11	-57.08
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004665068	1	36	-1.0	-57.20	297.20	0.13	-57.07
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2OCCC[C@H]12	REAL250004665069	0	37	-1.0	-45.83	287.95	3.14	-42.69
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2OCCC[C@H]12	REAL250004665069	1	37	-1.0	-45.83	288.01	3.16	-42.67
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665070	0	40	-1.0	-46.65	336.66	3.51	-43.14
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665070	1	40	-1.0	-46.69	336.72	3.52	-43.17
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C2CCCC21	REAL250004665071	0	36	-1.0	-36.15	288.44	5.49	-30.66
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C2CCCC21	REAL250004665071	1	36	-1.0	-36.14	288.51	5.49	-30.65
C=C[C@@H]1CCC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665072	0	39	-1.0	-45.97	310.62	4.72	-41.25
C=C[C@@H]1CCC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665072	1	39	-1.0	-45.99	310.68	4.73	-41.26
C=C[C@@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665073	0	39	-1.0	-35.32	321.21	4.52	-30.80
C=C[C@@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665073	1	39	-1.0	-35.34	321.28	4.53	-30.81
O=C(CCCC1=N[N-]N=N1)NC1CCCC2(CCCC2)C1	REAL250004665074	0	45	-1.0	-47.12	339.20	5.27	-41.85
O=C(CCCC1=NN=N[N-]1)NC1CCCC2(CCCC2)C1	REAL250004665074	1	45	-1.0	-47.16	339.26	5.29	-41.87
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004665075	0	35	-1.0	-47.76	306.06	4.18	-43.58
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004665075	1	35	-1.0	-47.77	306.12	4.19	-43.58
C=C[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665076	0	37	-1.0	-46.12	302.52	2.41	-43.71
C=C[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665076	1	37	-1.0	-46.13	302.58	2.42	-43.71
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004665077	0	32	-1.0	-46.18	289.88	1.96	-44.22
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004665077	1	32	-1.0	-46.16	289.94	1.97	-44.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC1C2	REAL250004665078	0	30	-1.0	-37.52	259.20	3.52	-34.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC1C2	REAL250004665078	1	30	-1.0	-37.50	259.28	3.53	-33.97
COC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004665079	0	39	-1.0	-46.19	313.65	3.20	-42.99
COC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004665079	1	39	-1.0	-46.19	313.71	3.21	-42.98
O=C(CCCC1=NN=N[N-]1)NCCN1C=C(Cl)C=N1	REAL250004665080	0	32	-1.0	-52.99	298.70	1.98	-51.01
O=C(CCCC1=N[N-]N=N1)NCCN1C=C(Cl)C=N1	REAL250004665080	1	32	-1.0	-52.96	298.65	1.96	-51.00
O=C(CCCC1=N[N-]N=N1)NC[C@H](O)C1=CC=CC=C1	REAL250004665081	0	36	-1.0	-47.68	308.04	1.17	-46.51
O=C(CCCC1=NN=N[N-]1)NC[C@H](O)C1=CC=CC=C1	REAL250004665081	1	36	-1.0	-47.70	308.10	1.19	-46.51
CO[C@@H]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]12	REAL250004665082	0	40	-1.0	-49.70	315.43	3.70	-46.00
CO[C@@H]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]12	REAL250004665082	1	40	-1.0	-49.71	315.49	3.71	-46.00
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C2CC2)=C1	REAL250004665083	0	39	-1.0	-46.12	328.30	5.58	-40.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C2CC2)=C1	REAL250004665083	1	39	-1.0	-46.09	328.36	5.59	-40.50
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C1=CC=CC=C1	REAL250004665084	0	36	-1.0	-47.81	308.53	1.08	-46.73
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C1=CC=CC=C1	REAL250004665084	1	36	-1.0	-47.84	308.59	1.09	-46.75
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CC[C@H]1O2	REAL250004665085	0	34	-1.0	-49.16	274.51	1.75	-47.41
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CC[C@H]1O2	REAL250004665085	1	34	-1.0	-49.16	274.56	1.77	-47.39
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665086	0	34	-1.0	-36.04	285.57	1.56	-34.48
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665086	1	34	-1.0	-36.00	285.64	1.58	-34.42
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)N2CCOCC12	REAL250004665087	0	38	-1.0	-48.86	300.12	1.45	-47.41
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)N2CCOCC12	REAL250004665087	1	38	-1.0	-48.86	300.17	1.46	-47.40
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CNN=C2N=C1	REAL250004665088	0	31	-1.0	-61.47	274.39	1.30	-60.17
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CNN=C2N=C1	REAL250004665088	1	31	-1.0	-61.47	274.45	1.31	-60.16
C=C1CON(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665089	0	28	-1.0	-38.33	257.48	2.25	-36.08
C=C1CON(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665089	1	28	-1.0	-38.35	257.55	2.26	-36.09
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CCO)N=C1	REAL250004665090	0	36	-1.0	-49.28	314.91	-1.20	-50.48
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CCO)N=C1	REAL250004665090	1	36	-1.0	-49.27	314.85	-1.22	-50.49
CC1=NN(CCO)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665091	0	39	-1.0	-49.18	336.18	-0.66	-49.84
CC1=NN(CCO)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665091	1	39	-1.0	-49.23	336.23	-0.65	-49.88
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCCNC1=O	REAL250004665092	0	36	-1.0	-57.09	285.79	0.77	-56.32
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCCNC1=O	REAL250004665092	1	36	-1.0	-57.12	285.84	0.79	-56.33
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665093	0	33	-1.0	-36.60	290.16	0.65	-35.95
CO[C@@H]1CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665093	1	33	-1.0	-36.56	290.22	0.66	-35.90
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665094	0	30	-1.0	-37.97	269.20	0.02	-37.95
O=C(N[C@@H]1COC[C@@H]1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665094	1	30	-1.0	-37.95	269.27	0.03	-37.92
CCC1=NC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004665095	0	34	-1.0	-47.25	287.81	3.19	-44.06
CCC1=NC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004665095	1	34	-1.0	-47.25	287.87	3.20	-44.05
CCC1=NC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665096	0	34	-1.0	-35.58	297.74	2.94	-32.64
CCC1=NC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665096	1	34	-1.0	-35.57	297.81	2.95	-32.62
C=C1COCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665097	0	31	-1.0	-35.42	278.45	0.25	-35.17
C=C1COCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665097	1	31	-1.0	-35.37	278.52	0.26	-35.11
CO[C@@H]1CN(C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665098	1	38	-1.0	-49.75	311.92	-1.36	-51.11
CO[C@@H]1CN(C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665098	1	38	-1.0	-49.74	311.98	-1.35	-51.09
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C1(O)CCC1	REAL250004665099	0	42	-1.0	-49.31	323.96	1.11	-48.20
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C1(O)CCC1	REAL250004665099	1	42	-1.0	-49.31	324.02	1.13	-48.18
COC[C@H]1[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)CC[C@H]12	REAL250004665100	0	40	-1.0	-50.53	320.53	4.00	-46.53
COC[C@H]1[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC[C@H]12	REAL250004665100	1	40	-1.0	-50.50	320.59	4.01	-46.49
CC1(C)[C@@H]2C[C@H](NC(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004665101	0	39	-1.0	-46.93	308.62	4.28	-42.65
CC1(C)[C@@H]2C[C@H](NC(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004665101	1	39	-1.0	-46.95	308.68	4.29	-42.66
CC1(C)[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004665102	0	39	-1.0	-34.86	319.29	4.05	-30.81
CC1(C)[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004665102	1	39	-1.0	-34.86	319.36	4.06	-30.80
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2OCOC2=C1	REAL250004665103	0	31	-1.0	-51.44	274.27	-0.99	-52.43
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2OCOC2=C1	REAL250004665103	1	31	-1.0	-51.46	274.21	-1.00	-52.46
COCC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665104	0	43	-1.0	-46.66	326.92	1.51	-45.15
COCC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665104	1	43	-1.0	-46.64	326.97	1.52	-45.12
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2CC2(F)F)C=C1	REAL250004665105	0	33	-1.0	-52.22	298.13	3.82	-48.40
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2CC2(F)F)C=C1	REAL250004665105	1	33	-1.0	-52.18	298.08	3.81	-48.37
CC(C)(C)C(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665106	0	41	-1.0	-45.58	312.91	0.37	-45.21
CC(C)(C)C(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665106	1	41	-1.0	-45.58	312.97	0.38	-45.20
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665108	1	38	-1.0	-36.09	302.97	1.98	-34.11
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665108	1	38	-1.0	-36.08	303.04	1.98	-34.10
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)NC1=O	REAL250004665109	0	35	-1.0	-56.73	307.75	-0.50	-57.23
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)NC1=O	REAL250004665109	1	35	-1.0	-56.73	307.80	-0.48	-57.21
CC1(O)CON(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665110	0	31	-1.0	-40.65	275.65	-0.96	-41.61
CC1(O)CON(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665110	1	31	-1.0	-40.61	275.72	-0.94	-41.55
CC(C)C1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665111	0	42	-1.0	-49.27	314.73	2.44	-46.83
CC(C)C1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665111	1	42	-1.0	-49.29	314.79	2.46	-46.83
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=N1)OCCO2	REAL250004665112	0	34	-1.0	-53.76	293.82	2.23	-51.53
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=N1)OCCO2	REAL250004665112	1	34	-1.0	-53.74	293.76	2.21	-51.53
CCSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665113	0	32	-1.0	-35.68	295.97	2.36	-33.32
CCSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665113	1	32	-1.0	-35.68	296.03	2.37	-33.31
CC(NC(=O)CCCC1=N[N-]N=N1)C1(O)CCCCC1	REAL250004665114	0	42	-1.0	-46.24	321.56	1.86	-44.38
CC(NC(=O)CCCC1=NN=N[N-]1)C1(O)CCCCC1	REAL250004665114	1	42	-1.0	-46.24	321.62	1.87	-44.37
CC1(C)C2CCC1(CNC(=O)CCCC1=N[N-]N=N1)CC2	REAL250004665115	0	45	-1.0	-45.88	338.69	4.90	-40.98
CC1(C)C2CCC1(CNC(=O)CCCC1=NN=N[N-]1)CC2	REAL250004665115	1	45	-1.0	-45.85	338.75	4.91	-40.94
CC1=CC=CC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665116	0	38	-1.0	-45.91	313.72	4.53	-41.38
CC1=CC=CC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665116	1	38	-1.0	-45.91	313.77	4.54	-41.37
CC1=CC=CC(C2C(C)CN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665117	0	42	-1.0	-50.05	343.51	7.09	-42.96
CC1=CC=CC(C2C(C)CN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665117	1	42	-1.0	-50.05	343.57	7.11	-42.94
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CCOCC2	REAL250004665118	0	43	-1.0	-47.43	338.91	3.07	-44.36
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CCOCC2	REAL250004665118	1	43	-1.0	-47.42	338.96	3.09	-44.33
CC(C)(C)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665119	0	45	-1.0	-46.28	331.07	4.31	-41.97
CC(C)(C)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665119	1	45	-1.0	-46.29	331.13	4.33	-41.96
C=C(C)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665120	0	38	-1.0	-46.76	316.38	4.22	-42.54
C=C(C)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665120	1	38	-1.0	-46.74	316.44	4.24	-42.50
C=C(C)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665121	0	38	-1.0	-35.29	326.94	4.02	-31.27
C=C(C)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665121	1	38	-1.0	-35.28	327.01	4.04	-31.24
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1COCCO1	REAL250004665122	0	34	-1.0	-47.25	285.22	-0.32	-47.57
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1COCCO1	REAL250004665122	1	34	-1.0	-47.24	285.28	-0.30	-47.54
O=C(NC[C@@H]1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665123	0	34	-1.0	-36.98	295.82	-0.52	-37.50
O=C(NC[C@@H]1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665123	1	34	-1.0	-36.98	295.89	-0.51	-37.49
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCSC2	REAL250004665124	0	40	-1.0	-45.41	305.34	5.39	-40.02
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCSC2	REAL250004665124	1	40	-1.0	-45.45	305.40	5.41	-40.04
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2C(=O)CCC2=C1	REAL250004665125	0	38	-1.0	-49.86	327.23	4.46	-45.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2C(=O)CCC2=C1	REAL250004665125	1	38	-1.0	-49.87	327.29	4.47	-45.40
COC(=O)C1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665126	0	41	-1.0	-46.67	326.02	4.86	-41.81
COC(=O)C1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665126	1	41	-1.0	-46.67	326.08	4.88	-41.79
CC(O)(CCNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004665127	0	35	-1.0	-48.35	304.88	-0.41	-48.76
CC(O)(CCNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004665127	1	35	-1.0	-48.32	304.94	-0.40	-48.72
CCC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004665128	0	42	-1.0	-49.53	332.47	7.39	-42.14
CCC1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004665128	1	42	-1.0	-49.56	332.53	7.40	-42.16
CC(C)[C@@H]1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665129	0	39	-1.0	-45.11	293.08	2.85	-42.26
CC(C)[C@@H]1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665129	1	39	-1.0	-45.10	293.14	2.86	-42.24
CC12COC(=O)N1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004665130	0	38	-1.0	-50.55	308.70	2.67	-47.88
CC12COC(=O)N1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004665130	1	38	-1.0	-50.59	308.75	2.69	-47.90
CCOC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004665131	0	41	-1.0	-52.77	340.83	4.71	-48.06
CCOC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004665131	1	41	-1.0	-52.74	340.89	4.72	-48.02
O=C(CCCC1=N[N-]N=N1)NC1CCCCC12CCC2	REAL250004665132	0	42	-1.0	-46.69	321.82	5.12	-41.57
O=C(CCCC1=NN=N[N-]1)NC1CCCCC12CCC2	REAL250004665132	1	42	-1.0	-46.74	321.87	5.14	-41.60
COCC1=NOC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665133	0	35	-1.0	-49.15	309.56	0.52	-48.63
COCC1=NOC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665133	1	35	-1.0	-49.15	309.61	0.53	-48.62
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004665134	0	35	-1.0	-50.49	312.34	2.38	-48.11
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004665134	1	35	-1.0	-50.50	312.40	2.39	-48.11
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C2CC2)N=C1	REAL250004665135	0	39	-1.0	-48.92	330.50	3.57	-45.35
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C2CC2)N=C1	REAL250004665135	1	39	-1.0	-48.97	330.44	3.56	-45.41
NC(=O)NC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665137	0	35	-1.0	-55.86	299.26	-2.56	-58.42
NC(=O)NC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665137	1	35	-1.0	-55.82	299.32	-2.54	-58.36
CCC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004665138	0	42	-1.0	-47.14	331.81	6.99	-40.15
CCC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004665138	1	42	-1.0	-47.11	331.87	7.00	-40.11
O=C(CCCC1=N[N-]N=N1)NCCC(O)C1CCC1	REAL250004665139	0	39	-1.0	-49.01	315.91	1.12	-47.89
O=C(CCCC1=NN=N[N-]1)NCCC(O)C1CCC1	REAL250004665139	1	39	-1.0	-49.06	315.97	1.14	-47.92
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CC=CC1	REAL250004665142	0	34	-1.0	-47.36	294.22	1.21	-46.15
O=C(CCCC1=NN=N[N-]1)NCC(=O)N1CC=CC1	REAL250004665142	1	34	-1.0	-47.35	294.28	1.22	-46.13
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CC1	REAL250004665143	0	34	-1.0	-40.63	304.78	1.01	-39.62
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CC1	REAL250004665143	1	34	-1.0	-40.60	304.85	1.02	-39.58
O=C(CCCC1=N[N-]N=N1)N1CCC2CC1CO2	REAL250004665144	0	34	-1.0	-45.82	268.65	2.42	-43.40
O=C(CCCC1=NN=N[N-]1)N1CCC2CC1CO2	REAL250004665144	1	34	-1.0	-45.82	268.71	2.43	-43.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC1CO2	REAL250004665145	0	34	-1.0	-34.69	276.13	2.70	-31.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC1CO2	REAL250004665145	1	34	-1.0	-34.72	276.20	2.71	-32.01
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NNN=C2)C1	REAL250004665146	0	35	-1.0	-51.59	295.22	1.40	-50.19
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NNN=C2)C1	REAL250004665146	1	35	-1.0	-51.61	295.28	1.41	-50.20
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1F	REAL250004665147	0	32	-1.0	-37.73	275.22	3.76	-33.97
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1F	REAL250004665147	1	32	-1.0	-37.75	275.28	3.76	-33.99
CC1(CNC(=O)CCCC2=N[N-]N=N2)CSC1	REAL250004665148	0	33	-1.0	-46.55	283.11	2.79	-43.76
CC1(CNC(=O)CCCC2=NN=N[N-]2)CSC1	REAL250004665148	1	33	-1.0	-46.54	283.17	2.81	-43.73
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CSC1	REAL250004665149	0	33	-1.0	-35.89	293.71	2.58	-33.31
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CSC1	REAL250004665149	1	33	-1.0	-35.87	293.78	2.60	-33.27
N#CC1(C(N)=O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665150	0	34	-1.0	-56.24	297.02	-0.49	-56.73
N#CC1(C(N)=O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665150	1	34	-1.0	-56.28	297.08	-0.48	-56.76
O=C(CCCC1=N[N-]N=N1)N1CC23CCCC2(COC3)C1	REAL250004665151	0	41	-1.0	-47.61	315.55	3.31	-44.30
O=C(CCCC1=NN=N[N-]1)N1CC23CCCC2(COC3)C1	REAL250004665151	1	41	-1.0	-47.61	315.61	3.32	-44.29
CC1(CNC(=O)CCCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004665152	0	35	-1.0	-52.56	298.86	-0.74	-53.30
CC1(CNC(=O)CCCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004665152	1	35	-1.0	-52.61	298.92	-0.73	-53.34
O=C(NC1C2CCCCC21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665153	0	36	-1.0	-35.09	300.20	3.53	-31.56
O=C(NC1C2CCCCC21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665153	1	36	-1.0	-35.13	300.26	3.53	-31.60
CCCNC(=O)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665154	0	38	-1.0	-47.12	319.20	0.57	-46.55
CCCNC(=O)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665154	1	38	-1.0	-47.18	319.26	0.59	-46.59
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)(CCO)C1	REAL250004665155	0	40	-1.0	-48.65	320.21	-2.10	-50.75
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)(CCO)C1	REAL250004665155	1	40	-1.0	-48.67	320.27	-2.08	-50.75
CC(NC(=O)CCCC1=N[N-]N=N1)C12CC(C1)CO2	REAL250004665156	0	37	-1.0	-45.54	304.08	1.97	-43.57
CC(NC(=O)CCCC1=NN=N[N-]1)C12CC(C1)CO2	REAL250004665156	1	37	-1.0	-45.53	304.13	1.98	-43.55
CC1(C)CCOC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665157	0	39	-1.0	-46.79	310.32	1.62	-45.17
CC1(C)CCOC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665157	1	39	-1.0	-46.82	310.38	1.63	-45.19
C[C@H](CS(N)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004665158	0	33	-1.0	-58.15	293.74	-3.23	-61.38
C[C@H](CS(N)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004665158	1	33	-1.0	-58.18	293.80	-3.21	-61.39
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)CS1(=O)=O	REAL250004665159	0	35	-1.0	-52.09	299.41	-0.95	-53.04
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)CS1(=O)=O	REAL250004665159	1	35	-1.0	-52.05	299.47	-0.93	-52.98
C[C@@H](CS(N)(=O)=O)NC(=O)CCCC1=N[N-]N=N1	REAL250004665160	0	33	-1.0	-58.25	294.86	-3.36	-61.61
C[C@@H](CS(N)(=O)=O)NC(=O)CCCC1=NN=N[N-]1	REAL250004665160	1	33	-1.0	-58.27	294.92	-3.35	-61.62
O=C(CCCC1=N[N-]N=N1)NN1CC2CCCC2C1	REAL250004665161	0	38	-1.0	-48.30	301.47	3.17	-45.13
O=C(CCCC1=NN=N[N-]1)NN1CC2CCCC2C1	REAL250004665161	1	38	-1.0	-48.35	301.53	3.18	-45.17
O=C(NN1CC2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665162	0	38	-1.0	-35.81	312.14	2.97	-32.84
O=C(NN1CC2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665162	1	38	-1.0	-35.81	312.20	2.97	-32.84
NC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004665163	0	33	-1.0	-50.33	283.29	-1.22	-51.55
NC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004665163	1	33	-1.0	-50.38	283.35	-1.20	-51.58
NC(=O)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004665164	0	33	-1.0	-41.54	296.43	-1.23	-42.77
NC(=O)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004665164	1	33	-1.0	-41.50	296.51	-1.23	-42.73
CCN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004665165	0	38	-1.0	-52.98	312.35	6.38	-46.60
CCN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004665165	1	38	-1.0	-53.04	312.40	6.40	-46.64
O=C(CCCC1=N[N-]N=N1)NCC1CC2CCCC(C1)C2	REAL250004665166	0	45	-1.0	-46.01	335.79	5.25	-40.76
O=C(CCCC1=NN=N[N-]1)NCC1CC2CCCC(C1)C2	REAL250004665166	1	45	-1.0	-46.02	335.85	5.26	-40.76
CC(CC1=CC=CC=C1O)NC(=O)CCCC1=N[N-]N=N1	REAL250004665167	0	39	-1.0	-52.09	329.96	2.39	-49.70
CC(CC1=CC=CC=C1O)NC(=O)CCCC1=NN=N[N-]1	REAL250004665167	1	39	-1.0	-52.11	330.01	2.40	-49.71
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004665168	0	43	-1.0	-52.86	339.94	4.15	-48.71
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004665168	1	43	-1.0	-52.84	340.00	4.16	-48.68
CC1=NOC(C(NC(=O)CCCC2=N[N-]N=N2)C(C)C)=N1	REAL250004665169	0	39	-1.0	-45.43	323.28	0.94	-44.49
CC1=NOC(C(NC(=O)CCCC2=NN=N[N-]2)C(C)C)=N1	REAL250004665169	1	39	-1.0	-45.44	323.33	0.96	-44.48
CN(CC(O)CF)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665170	0	32	-1.0	-40.48	282.02	0.66	-39.82
CN(CC(O)CF)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665170	1	32	-1.0	-40.45	282.09	0.69	-39.76
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CC2(F)F)N=C1	REAL250004665171	0	33	-1.0	-49.86	295.31	2.72	-47.14
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CC2(F)F)N=C1	REAL250004665171	1	33	-1.0	-49.84	295.25	2.71	-47.13
COC(=O)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004665172	0	43	-1.0	-52.87	339.94	4.15	-48.72
COC(=O)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004665172	1	43	-1.0	-52.88	340.00	4.16	-48.72
NC(=O)OC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665173	0	31	-1.0	-50.90	276.06	-2.02	-52.92
NC(=O)OC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665173	1	31	-1.0	-50.91	276.12	-2.01	-52.92
NC(=O)OC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665174	0	31	-1.0	-40.66	284.04	-2.09	-42.75
NC(=O)OC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665174	1	31	-1.0	-40.65	284.11	-2.08	-42.73
O=C(NC1CCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665175	0	30	-1.0	-44.99	270.82	-1.93	-46.92
O=C(NC1CCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665175	1	30	-1.0	-44.94	270.89	-1.93	-46.87
NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665176	0	39	-1.0	-50.98	317.16	-0.17	-51.15
NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665176	1	39	-1.0	-50.96	317.22	-0.16	-51.12
CN(CCCS(C)(=O)=O)C(=O)CCCC1=N[N-]N=N1	REAL250004665177	0	37	-1.0	-60.05	322.40	0.90	-59.15
CN(CCCS(C)(=O)=O)C(=O)CCCC1=NN=N[N-]1	REAL250004665177	1	37	-1.0	-60.01	322.46	0.92	-59.09
CN(CCC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665178	0	31	-1.0	-39.00	279.11	4.02	-34.98
CN(CCC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665178	1	31	-1.0	-39.02	279.18	4.05	-34.97
COCC1=NOC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665179	1	31	-1.0	-51.13	280.19	-0.50	-51.63
COCC1=NOC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665179	1	31	-1.0	-51.18	280.25	-0.48	-51.66
CN(CC1CC(F)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665181	0	35	-1.0	-49.40	290.41	4.72	-44.68
CN(CC1CC(F)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665181	1	35	-1.0	-49.43	290.47	4.73	-44.70
CN(CC1CC(F)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665182	0	35	-1.0	-37.12	298.33	5.12	-32.00
CN(CC1CC(F)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665182	1	35	-1.0	-37.09	298.40	5.15	-31.94
N#CC[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665183	0	36	-1.0	-54.70	304.51	3.63	-51.07
N#CC[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665183	1	36	-1.0	-54.72	304.57	3.65	-51.07
N#CC[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665184	0	36	-1.0	-41.09	314.64	3.37	-37.72
N#CC[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665184	1	36	-1.0	-41.09	314.70	3.37	-37.72
CN1N=CC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665185	0	38	-1.0	-50.03	322.35	2.57	-47.46
CN1N=CC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665185	1	38	-1.0	-50.05	322.40	2.58	-47.47
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL250004665186	0	36	-1.0	-58.47	301.59	0.53	-57.94
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL250004665186	1	36	-1.0	-58.52	301.65	0.54	-57.98
C#CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004665187	0	34	-1.0	-45.68	295.92	3.26	-42.42
C#CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004665187	1	34	-1.0	-45.71	295.98	3.27	-42.44
C#CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665188	0	34	-1.0	-36.63	302.11	3.83	-32.80
C#CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665188	1	34	-1.0	-36.60	302.17	3.83	-32.77
C[C@@H](C(=O)N(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665190	0	38	-1.0	-50.74	301.63	2.44	-48.30
C[C@@H](C(=O)N(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665190	1	38	-1.0	-50.72	301.69	2.46	-48.26
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=NC=C2C=C1	REAL250004665191	0	34	-1.0	-48.79	294.02	3.87	-44.92
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=NC=C2C=C1	REAL250004665191	1	34	-1.0	-48.81	294.07	3.88	-44.93
O=C(CCCC1=NN=N[N-]1)NC1=C2C=COC2=CC=N1	REAL250004665192	0	31	-1.0	-53.65	276.41	3.43	-50.22
O=C(CCCC1=N[N-]N=N1)NC1=C2C=COC2=CC=N1	REAL250004665192	1	31	-1.0	-53.66	276.35	3.42	-50.24
C[C@H](CC(=O)OC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665193	0	43	-1.0	-52.22	348.90	4.38	-47.84
C[C@H](CC(=O)OC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665193	1	43	-1.0	-52.26	348.97	4.40	-47.86
COCCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004665194	0	39	-1.0	-45.01	319.64	4.22	-40.79
COCCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004665194	1	39	-1.0	-45.07	319.70	4.23	-40.84
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C(F)F)=C1	REAL250004665195	0	35	-1.0	-49.42	313.25	4.41	-45.01
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C(F)F)=C1	REAL250004665195	1	35	-1.0	-49.42	313.31	4.43	-44.99
O=C(CCCC1=N[N-]N=N1)NC[C@H]1COCCO1	REAL250004665197	0	34	-1.0	-47.13	284.92	-0.25	-47.38
O=C(CCCC1=NN=N[N-]1)NC[C@H]1COCCO1	REAL250004665197	1	34	-1.0	-47.14	284.98	-0.23	-47.37
O=C(NC[C@H]1COCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665198	0	34	-1.0	-36.99	295.52	-0.45	-37.44
O=C(NC[C@H]1COCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665198	1	34	-1.0	-36.96	295.59	-0.45	-37.41
CC1=CC=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)C=C1	REAL250004665199	0	42	-1.0	-47.89	339.45	7.69	-40.20
CC1=CC=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)C=C1	REAL250004665199	1	42	-1.0	-47.94	339.51	7.70	-40.24
CN1N=CC=C1CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004665200	0	39	-1.0	-47.14	315.20	4.46	-42.68
CN1N=CC=C1CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004665200	1	39	-1.0	-47.17	315.26	4.47	-42.70
CCC(C)OC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004665201	0	36	-1.0	-47.89	309.82	0.93	-46.96
CCC(C)OC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004665201	1	36	-1.0	-47.88	309.88	0.95	-46.93
CC(C)CCOCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665202	0	44	-1.0	-46.44	356.76	3.35	-43.09
CC(C)CCOCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665202	1	44	-1.0	-46.49	356.82	3.37	-43.12
CCOC(OCC)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665203	0	42	-1.0	-49.96	342.76	2.18	-47.78
CCOC(OCC)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665203	1	42	-1.0	-49.94	342.82	2.19	-47.75
CCOC(OCC)[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665204	0	42	-1.0	-49.90	342.32	2.15	-47.75
CCOC(OCC)[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665204	1	42	-1.0	-49.93	342.38	2.17	-47.76
CCC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665205	0	44	-1.0	-46.81	333.22	4.85	-41.96
CCC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665205	1	44	-1.0	-46.77	333.28	4.86	-41.91
CC1(C)CC(=O)NC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665206	0	39	-1.0	-51.45	317.37	0.15	-51.30
CC1(C)CC(=O)NC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665206	1	39	-1.0	-51.43	317.42	0.16	-51.27
O=C(CCCC1=N[N-]N=N1)NC1CCC2OCCC2C1	REAL250004665207	0	40	-1.0	-48.58	316.04	2.44	-46.14
O=C(CCCC1=NN=N[N-]1)NC1CCC2OCCC2C1	REAL250004665207	1	40	-1.0	-48.61	316.10	2.45	-46.16
CC1(C)SCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665208	0	39	-1.0	-48.16	318.48	3.87	-44.29
CC1(C)SCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665208	1	39	-1.0	-48.17	318.54	3.88	-44.29
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=NO2)C1	REAL250004665209	0	32	-1.0	-48.13	270.48	3.42	-44.71
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=NO2)C1	REAL250004665209	1	32	-1.0	-48.15	270.54	3.43	-44.72
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C=NO2)C1	REAL250004665210	0	32	-1.0	-36.85	277.77	3.64	-33.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C=NO2)C1	REAL250004665210	1	32	-1.0	-36.85	277.84	3.65	-33.20
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCO2)CC1	REAL250004665211	0	37	-1.0	-47.17	295.93	2.25	-44.92
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCO2)CC1	REAL250004665211	1	37	-1.0	-47.13	295.99	2.25	-44.88
CC1(C)[C@H](CNC(=O)CCCC2=N[N-]N=N2)C[C@@H]1O	REAL250004665212	0	39	-1.0	-49.07	314.80	0.18	-48.89
CC1(C)[C@H](CNC(=O)CCCC2=NN=N[N-]2)C[C@@H]1O	REAL250004665212	1	39	-1.0	-49.13	314.86	0.19	-48.94
O=C(CCCC1=N[N-]N=N1)NC1CCCSCC1	REAL250004665213	0	36	-1.0	-46.42	293.96	3.39	-43.03
O=C(CCCC1=NN=N[N-]1)NC1CCCSCC1	REAL250004665213	1	36	-1.0	-46.39	294.02	3.41	-42.98
CC(CC1(O)CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004665214	0	39	-1.0	-47.72	315.38	1.69	-46.03
CC(CC1(O)CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004665214	1	39	-1.0	-47.76	315.44	1.70	-46.06
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004665215	0	45	-1.0	-47.18	325.81	6.15	-41.03
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004665215	1	45	-1.0	-47.19	325.86	6.16	-41.03
O=C(N[C@@H]1C[C@H]1CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665216	0	29	-1.0	-37.46	267.90	1.93	-35.53
O=C(N[C@@H]1C[C@H]1CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665216	1	29	-1.0	-37.41	267.97	1.95	-35.46
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1C2	REAL250004665217	0	39	-1.0	-46.93	297.19	4.05	-42.88
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1C2	REAL250004665217	1	39	-1.0	-46.92	297.25	4.07	-42.85
O=C(NC1CCC2CCC1C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665218	0	39	-1.0	-35.29	304.62	4.32	-30.97
O=C(NC1CCC2CCC1C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665218	1	39	-1.0	-35.31	304.69	4.33	-30.98
O=C(CCCC1=N[N-]N=N1)NCC12CC(CCC1)C(=O)N2	REAL250004665219	0	40	-1.0	-50.83	317.63	0.90	-49.93
O=C(CCCC1=NN=N[N-]1)NCC12CC(CCC1)C(=O)N2	REAL250004665219	1	40	-1.0	-50.87	317.69	0.91	-49.96
O=C(CCCC1=NN=N[N-]1)NCC(O)CN1C=CC=N1	REAL250004665220	0	36	-1.0	-50.66	313.89	-1.06	-51.72
O=C(CCCC1=N[N-]N=N1)NCC(O)CN1C=CC=N1	REAL250004665220	1	36	-1.0	-50.69	313.83	-1.08	-51.77
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCC1CO	REAL250004665221	0	40	-1.0	-51.12	323.01	-3.03	-54.15
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCC1CO	REAL250004665221	1	40	-1.0	-51.08	323.07	-3.01	-54.09
CC(C)CNC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004665222	0	41	-1.0	-56.52	340.65	1.10	-55.42
CC(C)CNC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004665222	1	41	-1.0	-56.55	340.70	1.12	-55.43
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2(F)F)C1	REAL250004665223	0	36	-1.0	-47.52	313.37	4.10	-43.42
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2(F)F)C1	REAL250004665223	1	36	-1.0	-47.53	313.43	4.11	-43.42
COC(=O)C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004665224	0	39	-1.0	-49.25	333.04	3.79	-45.46
COC(=O)C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004665224	1	39	-1.0	-49.28	333.10	3.81	-45.47
CC1=COC(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665225	0	35	-1.0	-46.78	300.67	2.82	-43.96
CC1=COC(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665225	1	35	-1.0	-46.79	300.72	2.84	-43.95
CC1=COC(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665226	0	35	-1.0	-36.42	311.26	2.62	-33.80
CC1=COC(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665226	1	35	-1.0	-36.36	311.33	2.62	-33.74
O=C(CCCC1=N[N-]N=N1)NCCCC(=O)NC1CCC1	REAL250004665227	0	42	-1.0	-50.52	348.65	1.82	-48.70
O=C(CCCC1=NN=N[N-]1)NCCCC(=O)NC1CCC1	REAL250004665227	1	42	-1.0	-50.52	348.71	1.83	-48.69
O=C(CCCC1=NN=N[N-]1)NCC1=CN=C2SC=CN12	REAL250004665228	0	32	-1.0	-49.21	296.53	3.15	-46.06
O=C(CCCC1=N[N-]N=N1)NCC1=CN=C2SC=CN12	REAL250004665228	1	32	-1.0	-49.21	296.48	3.14	-46.07
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=C(F)C=N1	REAL250004665229	0	36	-1.0	-50.11	315.49	1.58	-48.53
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=C(F)C=N1	REAL250004665229	1	36	-1.0	-50.10	315.43	1.56	-48.54
CC(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004665231	0	34	-1.0	-46.40	289.63	2.20	-44.20
CC(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004665231	1	34	-1.0	-46.37	289.57	2.19	-44.18
CC(C)N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004665232	0	34	-1.0	-37.74	300.23	2.01	-35.73
CC(C)N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004665232	1	34	-1.0	-37.73	300.16	1.98	-35.75
CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004665233	0	31	-1.0	-46.50	270.78	1.67	-44.83
CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004665233	1	31	-1.0	-46.48	270.72	1.66	-44.82
CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL250004665234	0	31	-1.0	-38.06	281.36	1.48	-36.58
CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL250004665234	1	31	-1.0	-38.08	281.30	1.45	-36.63
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL250004665235	0	37	-1.0	-35.13	300.89	3.06	-32.07
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL250004665235	1	37	-1.0	-35.09	300.96	3.07	-32.02
O=C(CCCC1=N[N-]N=N1)NCCN1N=CC=CC1=O	REAL250004665236	0	34	-1.0	-57.13	299.52	0.88	-56.25
O=C(CCCC1=NN=N[N-]1)NCCN1N=CC=CC1=O	REAL250004665236	1	34	-1.0	-57.13	299.58	0.90	-56.23
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)CCO2	REAL250004665237	0	37	-1.0	-46.69	298.42	1.86	-44.83
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)CCO2	REAL250004665237	1	37	-1.0	-46.73	298.48	1.88	-44.85
O=C(CCCC1=N[N-]N=N1)N1CC(O)C(F)(F)C1	REAL250004665238	0	30	-1.0	-47.54	266.94	-0.29	-47.83
O=C(CCCC1=NN=N[N-]1)N1CC(O)C(F)(F)C1	REAL250004665238	1	30	-1.0	-47.49	266.99	-0.28	-47.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(O)C(F)(F)C1	REAL250004665239	0	30	-1.0	-38.11	273.33	-0.06	-38.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(O)C(F)(F)C1	REAL250004665239	1	30	-1.0	-38.03	273.40	-0.05	-38.08
CC(C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665240	0	37	-1.0	-35.42	309.72	3.33	-32.09
CC(C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665240	1	37	-1.0	-35.38	309.79	3.35	-32.03
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004665241	0	38	-1.0	-46.32	317.50	4.68	-41.64
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004665241	1	38	-1.0	-46.32	317.56	4.70	-41.62
CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1C2	REAL250004665242	0	40	-1.0	-46.77	320.77	2.39	-44.38
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1C2	REAL250004665242	1	40	-1.0	-46.77	320.83	2.41	-44.36
O=C(CCCC1=N[N-]N=N1)N1CCN2N=CC(Cl)=C2C1	REAL250004665243	0	33	-1.0	-46.83	293.63	3.25	-43.58
O=C(CCCC1=NN=N[N-]1)N1CCN2N=CC(Cl)=C2C1	REAL250004665243	1	33	-1.0	-46.82	293.69	3.26	-43.56
COC(=O)C1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665244	0	41	-1.0	-47.39	327.73	5.06	-42.33
COC(=O)C1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665244	1	41	-1.0	-47.38	327.79	5.08	-42.30
COCC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665245	0	37	-1.0	-49.40	307.51	-0.20	-49.60
COCC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665245	1	37	-1.0	-49.45	307.56	-0.18	-49.63
CCC1=NNC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665246	0	32	-1.0	-35.66	285.03	0.94	-34.72
CCC1=NNC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665246	1	32	-1.0	-35.65	285.10	0.95	-34.70
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCCCC2C1	REAL250004665247	0	45	-1.0	-47.38	333.14	6.50	-40.88
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCCCC2C1	REAL250004665247	1	45	-1.0	-47.38	333.19	6.51	-40.87
CN(CC1CC(F)(F)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665248	0	35	-1.0	-48.47	296.95	4.81	-43.66
CN(CC1CC(F)(F)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665248	1	35	-1.0	-48.51	297.01	4.83	-43.68
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C2(COC2)C1	REAL250004665249	0	38	-1.0	-49.33	306.97	-0.93	-50.26
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C2(COC2)C1	REAL250004665249	1	38	-1.0	-49.29	307.02	-0.92	-50.21
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(=O)NC2C1	REAL250004665250	0	37	-1.0	-50.86	302.02	1.11	-49.75
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(=O)NC2C1	REAL250004665250	1	37	-1.0	-50.87	302.08	1.12	-49.75
CCC[C@@H]1C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665251	0	38	-1.0	-46.20	314.99	4.25	-41.95
CCC[C@@H]1C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665251	1	38	-1.0	-46.22	315.05	4.27	-41.95
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665252	0	38	-1.0	-34.63	325.60	4.05	-30.58
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665252	1	38	-1.0	-34.59	325.66	4.05	-30.54
N#CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004665253	0	33	-1.0	-50.73	287.56	3.92	-46.81
N#CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004665253	1	33	-1.0	-50.72	287.62	3.93	-46.79
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL250004665254	0	40	-1.0	-60.58	308.62	1.90	-58.68
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL250004665254	1	40	-1.0	-60.60	308.68	1.92	-58.68
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1C[C@@H](F)C1	REAL250004665255	0	35	-1.0	-49.25	295.46	3.39	-45.86
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1C[C@@H](F)C1	REAL250004665255	1	35	-1.0	-49.28	295.52	3.41	-45.87
O=C(NCC[C@@H]1C[C@@H](F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665256	0	35	-1.0	-36.64	306.05	3.20	-33.44
O=C(NCC[C@@H]1C[C@@H](F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665256	1	35	-1.0	-36.60	306.12	3.20	-33.40
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](CO)[C@H](C2CC2)C1	REAL250004665257	0	40	-1.0	-47.00	321.64	2.09	-44.91
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](CO)[C@H](C2CC2)C1	REAL250004665257	1	40	-1.0	-47.03	321.70	2.10	-44.93
O=C(CCCC1=N[N-]N=N1)NC[C@]12CCC[C@H]1CCO2	REAL250004665258	0	40	-1.0	-46.46	316.34	2.72	-43.74
O=C(CCCC1=NN=N[N-]1)NC[C@]12CCC[C@H]1CCO2	REAL250004665258	1	40	-1.0	-46.49	316.40	2.74	-43.75
COC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004665259	0	40	-1.0	-49.36	319.20	2.74	-46.62
COC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004665259	1	40	-1.0	-49.35	319.26	2.75	-46.60
O=C(CCCC1=N[N-]N=N1)N1CCC2OC(=O)OC2C1	REAL250004665260	0	34	-1.0	-52.16	284.07	2.95	-49.21
O=C(CCCC1=NN=N[N-]1)N1CCC2OC(=O)OC2C1	REAL250004665260	1	34	-1.0	-52.19	284.12	2.97	-49.22
O=C(CCCC1=N[N-]N=N1)N1CCOCC(C2CC2)C1	REAL250004665261	0	40	-1.0	-49.97	314.71	4.28	-45.69
O=C(CCCC1=NN=N[N-]1)N1CCOCC(C2CC2)C1	REAL250004665261	1	40	-1.0	-50.01	314.77	4.29	-45.72
CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665262	0	41	-1.0	-46.67	317.39	5.63	-41.04
CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665262	1	41	-1.0	-46.64	317.45	5.65	-40.99
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CCOC1	REAL250004665263	0	37	-1.0	-47.66	299.40	-1.31	-48.97
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CCOC1	REAL250004665263	1	37	-1.0	-47.68	299.46	-1.29	-48.97
O=C(CCCC1=N[N-]N=N1)NCC1=NSC=C1	REAL250004665265	0	28	-1.0	-47.34	263.67	1.03	-46.31
O=C(CCCC1=NN=N[N-]1)NCC1=NSC=C1	REAL250004665265	1	28	-1.0	-47.36	263.72	1.04	-46.32
O=C(NCC1=NSC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665266	0	28	-1.0	-37.32	274.26	0.82	-36.50
O=C(NCC1=NSC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665266	1	28	-1.0	-37.23	274.32	0.82	-36.41
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2=CON=C2C1	REAL250004665267	0	29	-1.0	-38.68	263.09	2.50	-36.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CON=C2C1	REAL250004665267	1	29	-1.0	-38.67	263.16	2.50	-36.17
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H](O)CCO1	REAL250004665268	0	37	-1.0	-49.61	305.44	-1.80	-51.41
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H](O)CCO1	REAL250004665268	1	37	-1.0	-49.65	305.50	-1.79	-51.44
COC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665269	0	36	-1.0	-56.00	301.85	5.40	-50.60
COC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665269	1	36	-1.0	-55.99	301.91	5.41	-50.58
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC1CC1	REAL250004665270	0	41	-1.0	-46.02	323.77	4.75	-41.27
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC1CC1	REAL250004665270	1	41	-1.0	-46.00	323.83	4.77	-41.23
CC1=CC=NC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665271	0	36	-1.0	-52.31	312.24	2.05	-50.26
CC1=CC=NC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665271	1	36	-1.0	-52.32	312.29	2.06	-50.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]2CC[C@@H]21	REAL250004665272	0	36	-1.0	-35.40	288.04	5.13	-30.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]2CC[C@@H]21	REAL250004665272	1	36	-1.0	-35.34	288.11	5.12	-30.22
O=C(CCCC1=N[N-]N=N1)NC(C1CCC1)C(F)(F)F	REAL250004665273	0	35	-1.0	-46.89	301.88	3.75	-43.14
O=C(CCCC1=NN=N[N-]1)NC(C1CCC1)C(F)(F)F	REAL250004665273	1	35	-1.0	-46.89	301.94	3.76	-43.13
CCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004665274	0	31	-1.0	-47.12	275.50	2.56	-44.56
CCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004665274	1	31	-1.0	-47.15	275.55	2.57	-44.58
O=C(CCCC1=N[N-]N=N1)NCC1C2CCCCC12	REAL250004665275	0	39	-1.0	-46.11	310.98	4.46	-41.65
O=C(CCCC1=NN=N[N-]1)NCC1C2CCCCC12	REAL250004665275	1	39	-1.0	-46.11	311.04	4.47	-41.64
O=C(NCC1C2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665276	0	39	-1.0	-34.76	321.73	4.24	-30.52
O=C(NCC1C2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665276	1	39	-1.0	-34.71	321.80	4.25	-30.46
CC1CC(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665277	0	39	-1.0	-50.71	313.70	0.83	-49.88
CC1CC(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665277	1	39	-1.0	-50.76	313.76	0.84	-49.92
O=C(CCCC1=N[N-]N=N1)NCC1=CN(C2COC2)N=N1	REAL250004665278	0	36	-1.0	-51.47	311.89	-0.94	-52.41
O=C(CCCC1=NN=N[N-]1)NCC1=CN(C2COC2)N=N1	REAL250004665278	1	36	-1.0	-51.48	311.95	-0.92	-52.40
CC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004665279	0	31	-1.0	-47.12	275.50	2.56	-44.56
CC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004665279	1	31	-1.0	-47.13	275.55	2.57	-44.56
O=C(CCCC1=N[N-]N=N1)NC1CCOCCC1(F)F	REAL250004665280	0	36	-1.0	-46.49	293.40	1.71	-44.78
O=C(CCCC1=NN=N[N-]1)NC1CCOCCC1(F)F	REAL250004665280	1	36	-1.0	-46.53	293.46	1.72	-44.81
O=C(CCCC1=N[N-]N=N1)NC1CCCCCC1(F)F	REAL250004665281	0	38	-1.0	-47.76	298.52	3.61	-44.15
O=C(CCCC1=NN=N[N-]1)NC1CCCCCC1(F)F	REAL250004665281	1	38	-1.0	-47.77	298.58	3.62	-44.15
CC(O)C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004665282	0	40	-1.0	-52.24	310.41	3.33	-48.91
CC(O)C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004665282	1	40	-1.0	-52.25	310.47	3.34	-48.91
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)C2	REAL250004665283	0	34	-1.0	-54.18	289.15	0.18	-54.00
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)C2	REAL250004665283	1	34	-1.0	-54.21	289.20	0.19	-54.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CNC(=O)C2	REAL250004665284	0	34	-1.0	-44.79	297.47	0.07	-44.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CNC(=O)C2	REAL250004665284	1	34	-1.0	-44.71	297.54	0.09	-44.62
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665285	0	30	-1.0	-35.88	279.35	3.23	-32.65
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665285	1	30	-1.0	-35.87	279.42	3.24	-32.63
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCC2)CC1	REAL250004665286	0	42	-1.0	-47.03	325.35	4.80	-42.23
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCC2)CC1	REAL250004665286	1	42	-1.0	-47.00	325.41	4.82	-42.18
C[C@@H](O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665287	0	37	-1.0	-48.74	298.87	-0.21	-48.95
C[C@@H](O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665287	1	37	-1.0	-48.76	298.93	-0.19	-48.95
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1F	REAL250004665288	0	35	-1.0	-49.93	282.44	4.26	-45.67
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1F	REAL250004665288	1	35	-1.0	-49.94	282.50	4.28	-45.66
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1F	REAL250004665289	0	35	-1.0	-37.66	290.12	4.51	-33.15
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1F	REAL250004665289	1	35	-1.0	-37.67	290.19	4.51	-33.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CCCC1	REAL250004665290	0	39	-1.0	-49.25	318.38	4.99	-44.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CCCC1	REAL250004665290	1	39	-1.0	-49.27	318.33	4.97	-44.30
C[C@H](O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665291	0	37	-1.0	-48.73	298.93	-0.17	-48.90
C[C@H](O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665291	1	37	-1.0	-48.72	298.99	-0.16	-48.88
CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCOC1	REAL250004665292	0	39	-1.0	-46.22	305.01	2.13	-44.09
CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCOC1	REAL250004665292	1	39	-1.0	-46.19	305.07	2.14	-44.05
O=C(CCCC1=N[N-]N=N1)NCCCOCC(F)F	REAL250004665293	0	35	-1.0	-50.15	309.21	1.58	-48.57
O=C(CCCC1=NN=N[N-]1)NCCCOCC(F)F	REAL250004665293	1	35	-1.0	-50.14	309.27	1.59	-48.55
O=C(CCCC1=N[N-]N=N1)NCC1CC(F)(F)CO1	REAL250004665294	0	33	-1.0	-46.89	289.39	0.95	-45.94
O=C(CCCC1=NN=N[N-]1)NCC1CC(F)(F)CO1	REAL250004665294	1	33	-1.0	-46.92	289.45	0.96	-45.96
O=C(CCCC1=N[N-]N=N1)NC1CCN(CCF)C1=O	REAL250004665295	0	36	-1.0	-60.80	311.06	1.70	-59.10
O=C(CCCC1=NN=N[N-]1)NC1CCN(CCF)C1=O	REAL250004665295	1	36	-1.0	-60.82	311.12	1.72	-59.10
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCC(=O)N2)CC1	REAL250004665296	0	40	-1.0	-52.07	315.43	2.21	-49.86
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCC(=O)N2)CC1	REAL250004665296	1	40	-1.0	-52.11	315.49	2.22	-49.89
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)F)CC1	REAL250004665297	0	38	-1.0	-48.96	306.43	5.09	-43.87
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)F)CC1	REAL250004665297	1	38	-1.0	-48.97	306.49	5.11	-43.86
C#CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665298	0	31	-1.0	-37.00	283.24	2.79	-34.21
C#CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665298	1	31	-1.0	-36.96	283.31	2.81	-34.15
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H]2CCCC[C@H]2C1	REAL250004665299	0	42	-1.0	-46.66	323.44	4.97	-41.69
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H]2CCCC[C@H]2C1	REAL250004665299	1	42	-1.0	-46.66	323.50	4.98	-41.68
CCC(CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665300	0	35	-1.0	-35.91	298.92	-0.85	-36.76
CCC(CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665300	1	35	-1.0	-35.91	298.98	-0.85	-36.76
C=CCC1(NC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004665301	0	37	-1.0	-47.34	302.58	4.33	-43.01
C=CCC1(NC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004665301	1	37	-1.0	-47.37	302.63	4.34	-43.03
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCCCC2C1	REAL250004665302	0	45	-1.0	-46.48	340.44	5.53	-40.95
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCCCC2C1	REAL250004665302	1	45	-1.0	-46.47	340.50	5.55	-40.92
CCCN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665303	0	38	-1.0	-49.76	324.99	2.79	-46.97
CCCN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665303	1	38	-1.0	-49.77	325.05	2.81	-46.96
COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665304	0	39	-1.0	-53.50	317.91	4.79	-48.71
COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665304	1	39	-1.0	-53.56	317.97	4.81	-48.75
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2COC[C@H]2O1	REAL250004665305	0	32	-1.0	-46.80	268.80	1.14	-45.66
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2COC[C@H]2O1	REAL250004665305	1	32	-1.0	-46.80	268.86	1.16	-45.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2COC[C@H]2O1	REAL250004665306	0	32	-1.0	-38.20	277.56	1.02	-37.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2COC[C@H]2O1	REAL250004665306	1	32	-1.0	-38.20	277.63	1.03	-37.17
CCN1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004665307	0	39	-1.0	-51.95	326.77	2.02	-49.93
CCN1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004665307	1	39	-1.0	-51.99	326.83	2.04	-49.95
O=C(CCCC1=N[N-]N=N1)NCCN1C=CC(C2CC2)=N1	REAL250004665308	0	39	-1.0	-54.92	333.30	3.54	-51.38
O=C(CCCC1=NN=N[N-]1)NCCN1C=CC(C2CC2)=N1	REAL250004665308	1	39	-1.0	-54.98	333.35	3.55	-51.43
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CC=CS1	REAL250004665309	0	36	-1.0	-47.48	320.94	1.05	-46.43
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CC=CS1	REAL250004665309	1	36	-1.0	-47.44	321.00	1.07	-46.37
C=C1[C@@H]2C[C@H](CC1NC(=O)CCCC1=N[N-]N=N1)C2(C)C	REAL250004665310	0	43	-1.0	-46.96	328.60	4.89	-42.07
C=C1[C@@H]2C[C@H](CC1NC(=O)CCCC1=NN=N[N-]1)C2(C)C	REAL250004665310	1	43	-1.0	-46.94	328.66	4.90	-42.04
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1O	REAL250004665311	0	36	-1.0	-47.38	286.63	1.06	-46.32
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1O	REAL250004665311	1	36	-1.0	-47.39	286.69	1.07	-46.32
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1O	REAL250004665312	0	36	-1.0	-36.76	294.24	1.31	-35.45
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1O	REAL250004665312	1	36	-1.0	-36.75	294.30	1.31	-35.44
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CCCC2)C1	REAL250004665313	0	43	-1.0	-47.33	328.11	2.61	-44.72
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CCCC2)C1	REAL250004665313	1	43	-1.0	-47.34	328.16	2.62	-44.72
O=C(CCCC1=N[N-]N=N1)N1CC(C2CC2(F)F)C1	REAL250004665314	0	33	-1.0	-51.76	291.78	4.35	-47.41
O=C(CCCC1=NN=N[N-]1)N1CC(C2CC2(F)F)C1	REAL250004665314	1	33	-1.0	-51.79	291.84	4.37	-47.42
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCCC2	REAL250004665315	0	42	-1.0	-47.35	320.30	5.70	-41.65
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCCC2	REAL250004665315	1	42	-1.0	-47.34	320.35	5.72	-41.62
CCCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=CS1	REAL250004665316	0	34	-1.0	-52.44	304.33	3.98	-48.46
CCCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=CS1	REAL250004665316	1	34	-1.0	-52.47	304.38	4.01	-48.46
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	REAL250004665317	0	35	-1.0	-51.24	286.99	-1.11	-52.35
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	REAL250004665317	1	35	-1.0	-51.27	287.04	-1.10	-52.37
C=C(CNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004665318	0	40	-1.0	-48.15	321.49	2.76	-45.39
C=C(CNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004665318	1	40	-1.0	-48.16	321.54	2.78	-45.38
CCCC1CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665319	0	35	-1.0	-37.31	292.22	4.16	-33.15
CCCC1CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665319	1	35	-1.0	-37.30	292.29	4.17	-33.13
CCC1(CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665320	0	38	-1.0	-49.44	301.90	4.59	-44.85
CCC1(CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665320	1	38	-1.0	-49.48	301.96	4.60	-44.88
CCC1(CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665321	0	38	-1.0	-38.30	306.33	5.08	-33.22
CCC1(CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665321	1	38	-1.0	-38.30	306.39	5.08	-33.22
N#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004665322	0	30	-1.0	-48.01	281.08	2.16	-45.85
N#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004665322	1	30	-1.0	-48.05	281.14	2.18	-45.87
N#CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL250004665323	0	30	-1.0	-38.22	291.68	1.95	-36.27
N#CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL250004665323	1	30	-1.0	-38.18	291.74	1.96	-36.22
CC1=COC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665324	0	38	-1.0	-53.91	318.18	2.06	-51.85
CC1=COC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665324	1	38	-1.0	-53.90	318.24	2.07	-51.83
O=C(CCCC1=N[N-]N=N1)N1CCC1CC1CCC1	REAL250004665325	0	39	-1.0	-49.06	314.93	5.54	-43.52
O=C(CCCC1=NN=N[N-]1)N1CCC1CC1CCC1	REAL250004665325	1	39	-1.0	-49.05	314.99	5.55	-43.50
COC(=O)C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665326	0	38	-1.0	-47.60	320.18	4.28	-43.32
COC(=O)C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665326	1	38	-1.0	-47.63	320.24	4.29	-43.34
CC(=O)N1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665327	0	36	-1.0	-53.68	308.19	1.10	-52.58
CC(=O)N1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665327	1	36	-1.0	-53.71	308.25	1.11	-52.60
CC1=C(Cl)C=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665329	0	35	-1.0	-45.64	310.27	4.71	-40.93
CC1=C(Cl)C=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665329	1	35	-1.0	-45.67	310.33	4.72	-40.95
CC(C)C1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665330	0	45	-1.0	-47.11	332.98	2.25	-44.86
CC(C)C1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665330	1	45	-1.0	-47.12	333.04	2.27	-44.85
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C1CCC1	REAL250004665331	0	41	-1.0	-47.30	315.16	5.78	-41.52
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C1CCC1	REAL250004665331	1	41	-1.0	-47.32	315.22	5.79	-41.53
O=C(CCCC1=N[N-]N=N1)N1CCC(Cl)=C(Cl)C1	REAL250004665332	0	30	-1.0	-45.13	280.05	4.50	-40.63
O=C(CCCC1=NN=N[N-]1)N1CCC(Cl)=C(Cl)C1	REAL250004665332	1	30	-1.0	-45.11	280.11	4.51	-40.60
CCCC1=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004665333	0	37	-1.0	-55.17	315.18	4.95	-50.22
CCCC1=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004665333	1	37	-1.0	-55.14	315.24	4.97	-50.17
CCN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665334	0	37	-1.0	-47.44	311.33	4.74	-42.70
CCN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665334	1	37	-1.0	-47.43	311.27	4.73	-42.70
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(Cl)=C1F	REAL250004665335	0	31	-1.0	-48.56	296.07	2.16	-46.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(Cl)=C1F	REAL250004665335	1	31	-1.0	-48.55	296.13	2.18	-46.37
C#CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665336	0	34	-1.0	-35.94	300.36	3.55	-32.39
C#CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665336	1	34	-1.0	-35.88	300.43	3.55	-32.33
COC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665337	0	41	-1.0	-48.53	331.65	4.20	-44.33
COC(=O)[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665337	1	41	-1.0	-48.54	331.71	4.21	-44.33
CCC1(C)CCC(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004665338	0	42	-1.0	-46.95	334.72	2.86	-44.09
CCC1(C)CCC(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004665338	1	42	-1.0	-46.96	334.78	2.87	-44.09
CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665339	0	38	-1.0	-48.29	322.65	6.57	-41.72
CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665339	1	38	-1.0	-48.32	322.71	6.58	-41.74
COCC1(NC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004665340	0	37	-1.0	-46.31	302.80	2.03	-44.28
COCC1(NC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004665340	1	37	-1.0	-46.35	302.85	2.05	-44.30
C=CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004665341	0	33	-1.0	-52.83	289.62	2.54	-50.29
C=CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004665341	1	33	-1.0	-52.80	289.57	2.52	-50.28
C=CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004665342	0	33	-1.0	-39.30	300.20	2.33	-36.97
C=CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004665342	1	33	-1.0	-39.29	300.13	2.32	-36.97
COCC1=NC(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004665343	0	32	-1.0	-53.01	284.36	2.01	-51.00
COCC1=NC(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004665343	1	32	-1.0	-52.99	284.42	2.03	-50.96
O=C(CCCC1=N[N-]N=N1)NCC(=O)NC1CCC1	REAL250004665344	0	36	-1.0	-46.85	305.02	0.38	-46.47
O=C(CCCC1=NN=N[N-]1)NCC(=O)NC1CCC1	REAL250004665344	1	36	-1.0	-46.84	305.08	0.40	-46.44
O=C(CCCC1=N[N-]N=N1)N1C2CCC1(F)CCC2	REAL250004665345	0	36	-1.0	-53.46	283.76	4.66	-48.80
O=C(CCCC1=NN=N[N-]1)N1C2CCC1(F)CCC2	REAL250004665345	1	36	-1.0	-53.47	283.82	4.67	-48.80
O=C(CCCC1=N[N-]N=N1)N1CCC2(CCSC2)C1	REAL250004665346	0	37	-1.0	-49.34	303.04	4.72	-44.62
O=C(CCCC1=NN=N[N-]1)N1CCC2(CCSC2)C1	REAL250004665346	1	37	-1.0	-49.33	303.10	4.73	-44.60
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CC1(CNC(=O)CCCC2=NN=N[N-]2)CN(C2CC2)C1=O	REAL250004665349	1	40	-1.0	-52.60	334.48	2.63	-49.97
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CCC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665353	0	38	-1.0	-46.75	303.56	3.62	-43.13
CCC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665353	1	38	-1.0	-46.78	303.61	3.64	-43.14
CCC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665354	0	38	-1.0	-35.02	314.12	3.41	-31.61
CCC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665354	1	38	-1.0	-34.99	314.20	3.42	-31.57
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)C1(F)F	REAL250004665355	0	38	-1.0	-45.80	306.66	4.80	-41.00
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)C1(F)F	REAL250004665355	1	38	-1.0	-45.78	306.71	4.81	-40.97
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COC(=O)CC[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665360	0	41	-1.0	-49.92	343.80	4.09	-45.83
COC(=O)CC[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665360	1	41	-1.0	-49.96	343.86	4.10	-45.86
COC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665361	0	41	-1.0	-51.08	336.08	3.79	-47.29
COC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665361	1	41	-1.0	-51.02	336.13	3.80	-47.22
COC(=O)C1N(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004665362	0	38	-1.0	-51.66	320.17	4.25	-47.41
COC(=O)C1N(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004665362	1	38	-1.0	-51.66	320.22	4.26	-47.40
O=C(CCCC1=N[N-]N=N1)N(CC1CCOCC1)C1CC1	REAL250004665363	0	43	-1.0	-47.35	332.11	4.70	-42.65
O=C(CCCC1=NN=N[N-]1)N(CC1CCOCC1)C1CC1	REAL250004665363	1	43	-1.0	-47.33	332.16	4.71	-42.62
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(C2)C1	REAL250004665364	0	42	-1.0	-47.67	316.01	4.55	-43.12
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O=C(CCCC1=N[N-]N=N1)N1C2CCC1C(O)CCC2	REAL250004665366	0	40	-1.0	-52.99	301.05	3.10	-49.89
O=C(CCCC1=NN=N[N-]1)N1C2CCC1C(O)CCC2	REAL250004665366	1	40	-1.0	-53.00	301.11	3.12	-49.88
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004665367	0	33	-1.0	-35.79	286.32	0.23	-35.56
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004665367	1	33	-1.0	-35.76	286.39	0.23	-35.53
CC(CCC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004665368	0	40	-1.0	-49.22	336.71	4.26	-44.96
CC(CCC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004665368	1	40	-1.0	-49.21	336.77	4.27	-44.94
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004665369	0	36	-1.0	-47.20	310.18	1.37	-45.83
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004665369	1	36	-1.0	-47.22	310.24	1.39	-45.83
CN(CC1=NN=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004665370	0	33	-1.0	-61.58	283.96	1.53	-60.05
CN(CC1=NN=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004665370	1	33	-1.0	-61.57	284.01	1.54	-60.03
CN(CCOC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004665371	0	36	-1.0	-45.89	300.86	3.52	-42.37
CN(CCOC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004665371	1	36	-1.0	-45.89	300.92	3.54	-42.35
CN(CCOC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665372	0	36	-1.0	-36.19	308.80	3.90	-32.29
CN(CCOC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665372	1	36	-1.0	-36.16	308.87	3.92	-32.24
CC(C)(C)OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665373	0	45	-1.0	-47.94	345.65	4.75	-43.19
CC(C)(C)OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665373	1	45	-1.0	-47.94	345.71	4.76	-43.18
COC(=O)C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004665374	0	39	-1.0	-54.58	327.49	0.72	-53.86
COC(=O)C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004665374	1	39	-1.0	-54.64	327.54	0.73	-53.91
COC(=O)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665375	0	38	-1.0	-49.56	330.09	1.37	-48.19
COC(=O)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665375	1	38	-1.0	-49.55	330.14	1.38	-48.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCOCC2=C1	REAL250004665376	0	37	-1.0	-49.40	306.99	3.45	-45.95
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCOCC2=C1	REAL250004665376	1	37	-1.0	-49.43	307.04	3.46	-45.97
O=C(CCCC1=NN=N[N-]1)NCC1=CSN=C1	REAL250004665377	0	28	-1.0	-46.45	263.65	1.13	-45.32
O=C(CCCC1=N[N-]N=N1)NCC1=CSN=C1	REAL250004665377	1	28	-1.0	-46.40	263.59	1.11	-45.29
O=C(NCC1=CSN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665378	0	28	-1.0	-36.55	274.18	0.91	-35.64
O=C(NCC1=CSN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665378	1	28	-1.0	-36.50	274.25	0.91	-35.59
C[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665379	0	36	-1.0	-47.04	290.63	1.10	-45.94
C[C@@H]1CCO[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665379	1	36	-1.0	-47.05	290.69	1.12	-45.93
C[C@@H]1CCO[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665380	0	36	-1.0	-36.80	301.18	0.90	-35.90
C[C@@H]1CCO[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665380	1	36	-1.0	-36.80	301.25	0.91	-35.89
O=C(CCCC1=N[N-]N=N1)NC1=CC(OC2CC2)=CC=N1	REAL250004665381	0	36	-1.0	-51.71	309.99	4.01	-47.70
O=C(CCCC1=NN=N[N-]1)NC1=CC(OC2CC2)=CC=N1	REAL250004665381	1	36	-1.0	-51.70	310.05	4.02	-47.68
CN1N=C(C2CCC2)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004665382	0	38	-1.0	-55.44	320.83	6.20	-49.24
CN1N=C(C2CCC2)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004665382	1	38	-1.0	-55.40	320.89	6.21	-49.19
O=C(CCCC1=N[N-]N=N1)N1CCO[C@H]2COC[C@H]2C1	REAL250004665383	0	38	-1.0	-51.88	289.54	1.72	-50.16
O=C(CCCC1=NN=N[N-]1)N1CCO[C@H]2COC[C@H]2C1	REAL250004665383	1	38	-1.0	-51.94	289.60	1.73	-50.21
CN1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004665384	0	36	-1.0	-51.30	304.80	0.85	-50.45
CN1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004665384	1	36	-1.0	-51.35	304.86	0.86	-50.49
CC(O)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665385	0	42	-1.0	-48.07	327.37	2.36	-45.71
CC(O)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665385	1	42	-1.0	-48.04	327.43	2.37	-45.67
O=C(CCCC1=N[N-]N=N1)NC1CCCC12CCC2	REAL250004665386	0	39	-1.0	-46.58	308.26	4.52	-42.06
O=C(CCCC1=NN=N[N-]1)NC1CCCC12CCC2	REAL250004665386	1	39	-1.0	-46.61	308.31	4.54	-42.07
O=C(NC1CCCC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665387	0	39	-1.0	-35.16	317.27	4.53	-30.63
O=C(NC1CCCC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665387	1	39	-1.0	-35.14	317.34	4.53	-30.61
COC(=O)C(C)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665388	0	41	-1.0	-49.07	327.94	5.20	-43.87
COC(=O)C(C)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665388	1	41	-1.0	-49.07	328.00	5.20	-43.87
COC(=O)CCCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665389	0	40	-1.0	-51.38	335.73	4.94	-46.44
COC(=O)CCCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665389	1	40	-1.0	-51.39	335.78	4.96	-46.43
CN(CC1=CC(Cl)=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004665390	0	34	-1.0	-51.14	308.67	4.26	-46.88
CN(CC1=CC(Cl)=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004665390	1	34	-1.0	-51.15	308.72	4.27	-46.88
COC(=O)C[C@@H](O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665391	0	35	-1.0	-50.24	305.66	-0.63	-50.87
COC(=O)C[C@@H](O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665391	1	35	-1.0	-50.26	305.72	-0.61	-50.87
CC(C)(C)OC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665392	0	45	-1.0	-47.98	345.77	4.74	-43.24
CC(C)(C)OC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665392	1	45	-1.0	-47.98	345.83	4.75	-43.23
O=C(CCCC1=N[N-]N=N1)NC1=NOC2=C1CCCCC2	REAL250004665393	0	38	-1.0	-54.78	307.61	5.10	-49.68
O=C(CCCC1=NN=N[N-]1)NC1=NOC2=C1CCCCC2	REAL250004665393	1	38	-1.0	-54.76	307.67	5.12	-49.64
CC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004665394	0	30	-1.0	-55.64	282.13	2.53	-53.11
CC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004665394	1	30	-1.0	-55.68	282.19	2.54	-53.14
O=C(CCCC1=N[N-]N=N1)NC1CCCC(F)(F)CC1	REAL250004665395	0	38	-1.0	-47.65	305.15	3.70	-43.95
O=C(CCCC1=NN=N[N-]1)NC1CCCC(F)(F)CC1	REAL250004665395	1	38	-1.0	-47.68	305.21	3.71	-43.97
COCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665396	0	35	-1.0	-46.69	308.93	0.75	-45.94
COCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665396	1	35	-1.0	-46.70	308.99	0.76	-45.94
N#CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665397	0	33	-1.0	-44.18	291.32	4.10	-40.08
N#CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665397	1	33	-1.0	-44.20	291.38	4.10	-40.10
O=C(CCCC1=N[N-]N=N1)N1CCC(C2CC2(F)F)CC1	REAL250004665398	0	39	-1.0	-49.16	319.50	5.82	-43.34
O=C(CCCC1=NN=N[N-]1)N1CCC(C2CC2(F)F)CC1	REAL250004665398	1	39	-1.0	-49.18	319.56	5.83	-43.35
O=C(CCCC1=NN=N[N-]1)NC1=NC=C2CCCCN21	REAL250004665399	0	36	-1.0	-56.98	298.29	6.17	-50.81
O=C(CCCC1=N[N-]N=N1)NC1=NC=C2CCCCN21	REAL250004665399	1	36	-1.0	-56.96	298.24	6.15	-50.81
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)C1	REAL250004665400	0	32	-1.0	-35.29	279.76	2.29	-33.00
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)C1	REAL250004665400	1	32	-1.0	-35.27	279.83	2.29	-32.98
CC1(NC(=O)CCCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004665401	0	32	-1.0	-51.61	279.50	-1.44	-53.05
CC1(NC(=O)CCCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004665401	1	32	-1.0	-51.62	279.56	-1.43	-53.05
CC(F)(F)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665402	0	35	-1.0	-49.93	301.63	4.33	-45.60
CC(F)(F)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665402	1	35	-1.0	-49.92	301.69	4.35	-45.57
COCC(O)C1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665403	0	37	-1.0	-51.98	308.47	-1.80	-53.78
COCC(O)C1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665403	1	37	-1.0	-51.97	308.53	-1.79	-53.76
CO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665404	0	42	-1.0	-48.36	324.21	2.68	-45.68
CO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665404	1	42	-1.0	-48.38	324.27	2.70	-45.68
COCC(NC(=O)CCCC1=N[N-]N=N1)C1(C)CC1	REAL250004665405	0	39	-1.0	-45.64	310.94	2.93	-42.71
COCC(NC(=O)CCCC1=NN=N[N-]1)C1(C)CC1	REAL250004665405	1	39	-1.0	-45.68	311.00	2.95	-42.73
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CSC2	REAL250004665406	0	34	-1.0	-46.79	280.34	4.46	-42.33
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CSC2	REAL250004665406	1	34	-1.0	-46.80	280.40	4.47	-42.33
O=C(CCCC1=N[N-]N=N1)NCC1C(F)(F)C12CCCC2	REAL250004665407	0	39	-1.0	-47.62	326.52	4.54	-43.08
O=C(CCCC1=NN=N[N-]1)NCC1C(F)(F)C12CCCC2	REAL250004665407	1	39	-1.0	-47.64	326.57	4.56	-43.08
CCCC(C)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665408	0	40	-1.0	-46.85	312.92	5.29	-41.56
CCCC(C)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665408	1	40	-1.0	-46.87	312.97	5.31	-41.56
CCCC(C)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665409	0	40	-1.0	-35.50	320.81	5.69	-29.81
CCCC(C)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665409	1	40	-1.0	-35.48	320.88	5.70	-29.78
CC1=NC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004665410	0	33	-1.0	-48.28	282.89	1.92	-46.36
CC1=NC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004665410	1	33	-1.0	-48.33	282.95	1.93	-46.40
O=C(CCCC1=N[N-]N=N1)NCC1(CO)CC12CCC2	REAL250004665411	0	40	-1.0	-49.04	330.18	1.29	-47.75
O=C(CCCC1=NN=N[N-]1)NCC1(CO)CC12CCC2	REAL250004665411	1	40	-1.0	-49.04	330.23	1.31	-47.73
CC(C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665412	0	37	-1.0	-35.43	309.72	3.33	-32.10
CC(C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665412	1	37	-1.0	-35.40	309.79	3.35	-32.05
O=C(CCCC1=N[N-]N=N1)NC1(C2CCCOC2)CC1	REAL250004665413	0	40	-1.0	-46.40	311.97	2.78	-43.62
O=C(CCCC1=NN=N[N-]1)NC1(C2CCCOC2)CC1	REAL250004665413	1	40	-1.0	-46.42	312.02	2.79	-43.63
CO[C@@H]1CCO[C@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665414	0	40	-1.0	-48.56	327.06	0.56	-48.00
CO[C@@H]1CCO[C@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665414	1	40	-1.0	-48.61	327.12	0.57	-48.04
CC1=CNC(=O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665415	0	32	-1.0	-60.74	279.89	2.06	-58.68
CC1=CNC(=O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665415	1	32	-1.0	-60.79	279.95	2.08	-58.71
CC1=CNC(=O)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004665416	0	32	-1.0	-48.45	291.23	1.57	-46.88
CC1=CNC(=O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004665416	1	32	-1.0	-48.46	291.29	1.58	-46.88
CN1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL250004665417	0	30	-1.0	-38.01	269.53	1.77	-36.24
CN1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL250004665417	1	30	-1.0	-37.99	269.60	1.77	-36.22
C#CCOC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665418	0	38	-1.0	-49.87	316.90	4.11	-45.76
C#CCOC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665418	1	38	-1.0	-49.87	316.96	4.13	-45.74
CCC1=NN(C)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665419	0	34	-1.0	-55.09	294.40	4.88	-50.21
CCC1=NN(C)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665419	1	34	-1.0	-55.10	294.46	4.90	-50.20
CCC1=NN(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004665420	0	34	-1.0	-39.62	304.96	4.67	-34.95
CCC1=NN(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004665420	1	34	-1.0	-39.57	305.03	4.68	-34.89
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004665421	0	42	-1.0	-45.47	326.66	1.54	-43.93
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004665421	1	42	-1.0	-45.49	326.72	1.55	-43.94
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1CC2(F)F	REAL250004665422	0	36	-1.0	-49.78	297.36	3.73	-46.05
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1CC2(F)F	REAL250004665422	1	36	-1.0	-49.77	297.43	3.74	-46.03
NC(=O)NCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665423	0	35	-1.0	-53.73	304.99	-6.47	-60.20
NC(=O)NCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665423	1	35	-1.0	-53.71	305.05	-6.46	-60.17
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCOC1	REAL250004665424	0	40	-1.0	-46.77	325.51	-0.96	-47.73
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCOC1	REAL250004665424	1	40	-1.0	-46.80	325.56	-0.95	-47.75
CC(C)N1C=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665425	0	41	-1.0	-47.97	341.69	3.44	-44.53
CC(C)N1C=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665425	1	41	-1.0	-48.02	341.74	3.45	-44.57
COC(C)(CCCNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004665426	0	42	-1.0	-47.90	333.54	1.52	-46.38
COC(C)(CCCNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004665426	1	42	-1.0	-47.92	333.59	1.54	-46.38
CCOC(OCC)[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665427	0	42	-1.0	-49.87	342.93	2.23	-47.64
CCOC(OCC)[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665427	1	42	-1.0	-49.89	342.99	2.25	-47.64
O=C(CCCC1=N[N-]N=N1)NC1COC2CCCCC12	REAL250004665428	0	40	-1.0	-46.24	312.47	2.76	-43.48
O=C(CCCC1=NN=N[N-]1)NC1COC2CCCCC12	REAL250004665428	1	40	-1.0	-46.26	312.53	2.77	-43.49
CC1(C)C(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665429	0	39	-1.0	-47.31	313.77	0.25	-47.06
CC1(C)C(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665429	1	39	-1.0	-47.31	313.83	0.26	-47.05
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665430	0	33	-1.0	-36.77	285.17	-0.81	-37.58
C[C@@]1(O)CC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665430	1	33	-1.0	-36.72	285.24	-0.79	-37.51
CN(C(=O)CCCC1=N[N-]N=N1)C1CCSCC1	REAL250004665431	0	36	-1.0	-46.83	296.25	4.71	-42.12
CN(C(=O)CCCC1=NN=N[N-]1)C1CCSCC1	REAL250004665431	1	36	-1.0	-46.84	296.31	4.72	-42.12
COC[C@@H](CC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004665432	0	38	-1.0	-50.79	326.46	1.51	-49.28
COC[C@@H](CC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004665432	1	38	-1.0	-50.81	326.52	1.53	-49.28
CC1=CC(C)=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665433	0	33	-1.0	-52.06	287.40	4.63	-47.43
CC1=CC(C)=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665433	1	33	-1.0	-52.13	287.46	4.65	-47.48
CC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665434	0	33	-1.0	-49.12	287.31	0.42	-48.70
CC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665434	1	33	-1.0	-49.17	287.37	0.43	-48.74
CC(=O)N1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665435	0	33	-1.0	-40.28	297.43	0.26	-40.02
CC(=O)N1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665435	1	33	-1.0	-40.23	297.50	0.27	-39.96
O=C(CCCC1=N[N-]N=N1)N1CC2(CCCC2)CC1CO	REAL250004665436	0	43	-1.0	-49.37	331.18	4.12	-45.25
O=C(CCCC1=NN=N[N-]1)N1CC2(CCCC2)CC1CO	REAL250004665436	1	43	-1.0	-49.38	331.24	4.13	-45.25
CC(C)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665437	0	44	-1.0	-47.03	337.32	4.88	-42.15
CC(C)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665437	1	44	-1.0	-47.04	337.38	4.89	-42.15
CC[C@@H](COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665438	0	35	-1.0	-35.84	296.33	0.88	-34.96
CC[C@@H](COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665438	1	35	-1.0	-35.76	296.40	0.88	-34.88
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NN(C)C=C1	REAL250004665439	0	38	-1.0	-47.90	316.35	2.54	-45.36
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NN(C)C=C1	REAL250004665439	1	38	-1.0	-47.87	316.41	2.56	-45.31
CN(CC1=CC=CC(F)=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004665440	0	35	-1.0	-44.75	303.95	5.52	-39.23
CN(CC1=CC=CC(F)=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004665440	1	35	-1.0	-44.71	304.01	5.54	-39.17
COC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665441	0	35	-1.0	-48.20	302.68	1.01	-47.19
COC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665441	1	35	-1.0	-48.25	302.73	1.03	-47.22
CC(C)N(CC1=NC=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004665442	0	41	-1.0	-44.23	322.91	5.57	-38.66
CC(C)N(CC1=NC=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004665442	1	41	-1.0	-44.17	322.96	5.59	-38.58
COC(=O)C1(CF)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665443	0	38	-1.0	-54.90	322.31	4.11	-50.79
COC(=O)C1(CF)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665443	1	38	-1.0	-54.92	322.37	4.13	-50.79
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665444	0	42	-1.0	-49.90	345.74	2.71	-47.19
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665444	1	42	-1.0	-49.94	345.80	2.73	-47.21
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCC2)S1	REAL250004665445	0	32	-1.0	-54.34	285.39	3.94	-50.40
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCC2)S1	REAL250004665445	1	32	-1.0	-54.38	285.45	3.95	-50.43
O=C(CCCC1=N[N-]N=N1)N1CC(CO)C2(CCC2)C1	REAL250004665446	0	40	-1.0	-48.54	316.41	1.73	-46.81
O=C(CCCC1=NN=N[N-]1)N1CC(CO)C2(CCC2)C1	REAL250004665446	1	40	-1.0	-48.51	316.46	1.75	-46.76
CC(C)N1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004665447	0	42	-1.0	-52.49	347.21	2.66	-49.83
CC(C)N1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004665447	1	42	-1.0	-52.49	347.27	2.67	-49.82
CCC(CC)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665448	0	37	-1.0	-34.86	302.52	2.99	-31.87
CCC(CC)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665448	1	37	-1.0	-34.80	302.59	2.99	-31.81
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL250004665449	0	35	-1.0	-45.47	314.56	4.58	-40.89
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL250004665449	1	35	-1.0	-45.50	314.61	4.59	-40.91
CC1(C)CCOC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004665450	0	42	-1.0	-49.50	331.25	2.47	-47.03
CC1(C)CCOC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004665450	1	42	-1.0	-49.51	331.31	2.49	-47.02
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2)CO1	REAL250004665451	0	37	-1.0	-46.81	308.45	2.07	-44.74
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2)CO1	REAL250004665451	1	37	-1.0	-46.83	308.51	2.09	-44.74
CC(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004665452	0	41	-1.0	-46.16	313.73	5.42	-40.74
CC(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004665452	1	41	-1.0	-46.15	313.79	5.43	-40.72
CNC(=O)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665453	0	35	-1.0	-48.85	288.52	-0.35	-49.20
CNC(=O)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665453	1	35	-1.0	-48.84	288.58	-0.34	-49.18
CNC(=O)C(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665454	0	35	-1.0	-36.67	299.10	-0.57	-37.24
CNC(=O)C(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665454	1	35	-1.0	-36.65	299.17	-0.56	-37.21
C#CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004665455	0	35	-1.0	-48.96	301.52	3.19	-45.77
C#CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004665455	1	35	-1.0	-48.99	301.57	3.20	-45.79
C#CC(CC1CCOC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004665456	0	38	-1.0	-49.74	319.13	2.44	-47.30
C#CC(CC1CCOC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004665456	1	38	-1.0	-49.75	319.18	2.45	-47.30
O=C(CCCC1=N[N-]N=N1)N1CCO[C@@H](CO)C1	REAL250004665457	0	34	-1.0	-49.22	280.57	-1.18	-50.40
O=C(CCCC1=NN=N[N-]1)N1CCO[C@@H](CO)C1	REAL250004665457	1	34	-1.0	-49.22	280.62	-1.17	-50.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCO[C@@H](CO)C1	REAL250004665458	0	34	-1.0	-37.55	288.22	-0.92	-38.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCO[C@@H](CO)C1	REAL250004665458	1	34	-1.0	-37.56	288.29	-0.91	-38.47
O=C(CCCC1=N[N-]N=N1)NCC[C@@H]1CCC[C@H]1O	REAL250004665459	0	39	-1.0	-48.84	315.10	0.44	-48.40
O=C(CCCC1=NN=N[N-]1)NCC[C@@H]1CCC[C@H]1O	REAL250004665459	1	39	-1.0	-48.85	315.16	0.45	-48.40
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NN1C	REAL250004665460	0	35	-1.0	-49.97	301.44	1.63	-48.34
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NN1C	REAL250004665460	1	35	-1.0	-49.98	301.50	1.64	-48.34
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1C	REAL250004665461	0	35	-1.0	-39.83	312.04	1.42	-38.41
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1C	REAL250004665461	1	35	-1.0	-39.78	312.11	1.42	-38.36
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC=CN=C2S1	REAL250004665462	0	30	-1.0	-51.36	279.65	2.04	-49.32
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC=CN=C2S1	REAL250004665462	1	30	-1.0	-51.32	279.59	2.02	-49.30
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665463	0	33	-1.0	-36.04	283.44	2.02	-34.02
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665463	1	33	-1.0	-36.01	283.51	2.03	-33.98
CCCC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665464	0	35	-1.0	-34.86	306.84	3.21	-31.65
CCCC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665464	1	35	-1.0	-34.81	306.90	3.22	-31.59
CC[C@H](COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665465	0	35	-1.0	-35.83	296.33	0.88	-34.95
CC[C@H](COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665465	1	35	-1.0	-35.78	296.40	0.88	-34.90
CC1=CC=CC(C)=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004665466	0	37	-1.0	-46.67	305.66	4.78	-41.89
CC1=CC=CC(C)=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004665466	1	37	-1.0	-46.69	305.71	4.79	-41.90
CC1(C)CC(CCNC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004665467	0	42	-1.0	-57.90	336.66	0.77	-57.13
CC1(C)CC(CCNC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004665467	1	42	-1.0	-57.91	336.72	0.78	-57.13
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665468	0	41	-1.0	-46.44	325.44	4.47	-41.97
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665468	1	41	-1.0	-46.46	325.50	4.48	-41.98
O=C(CCCC1=N[N-]N=N1)N1CC(CO)CC(CO)C1	REAL250004665469	0	40	-1.0	-51.31	315.48	-1.50	-52.81
O=C(CCCC1=NN=N[N-]1)N1CC(CO)CC(CO)C1	REAL250004665469	1	40	-1.0	-51.33	315.54	-1.49	-52.82
O=C(CCCC1=N[N-]N=N1)NCC1CCC2C(C1)C2(F)F	REAL250004665470	0	39	-1.0	-49.39	318.08	4.62	-44.77
O=C(CCCC1=NN=N[N-]1)NCC1CCC2C(C1)C2(F)F	REAL250004665470	1	39	-1.0	-49.40	318.14	4.64	-44.76
CC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL250004665471	0	36	-1.0	-47.53	303.29	5.69	-41.84
CC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL250004665471	1	36	-1.0	-47.57	303.35	5.70	-41.87
CC1CN2N=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665472	0	36	-1.0	-48.67	294.60	3.28	-45.39
CC1CN2N=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665472	1	36	-1.0	-48.66	294.66	3.30	-45.36
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=NNC=C2)C1	REAL250004665473	0	37	-1.0	-52.55	308.78	1.31	-51.24
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=NNC=C2)C1	REAL250004665473	1	37	-1.0	-52.58	308.84	1.33	-51.25
O=C(CCCC1=N[N-]N=N1)N1CCCC(CC(F)F)C1	REAL250004665474	0	38	-1.0	-46.87	306.45	5.08	-41.79
O=C(CCCC1=NN=N[N-]1)N1CCCC(CC(F)F)C1	REAL250004665474	1	38	-1.0	-46.85	306.51	5.10	-41.75
CC(C)(C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004665475	0	45	-1.0	-47.63	335.12	3.43	-44.20
CC(C)(C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004665475	1	45	-1.0	-47.63	335.17	3.45	-44.18
C#CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665476	0	30	-1.0	-58.09	276.67	4.12	-53.97
C#CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665476	1	30	-1.0	-58.08	276.73	4.13	-53.95
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004665477	0	30	-1.0	-43.56	287.25	3.91	-39.65
C#CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004665477	1	30	-1.0	-43.54	287.32	3.92	-39.62
CCCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665478	0	32	-1.0	-35.93	286.14	2.94	-32.99
CCCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665478	1	32	-1.0	-35.91	286.20	2.94	-32.97
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCOC2)N=N1	REAL250004665479	0	36	-1.0	-46.35	302.90	0.89	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCOC2)N=N1	REAL250004665479	1	36	-1.0	-46.33	302.84	0.87	-45.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2CC2)C=C1	REAL250004665480	0	36	-1.0	-48.40	302.49	5.46	-42.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2CC2)C=C1	REAL250004665480	1	36	-1.0	-48.43	302.55	5.47	-42.96
CC1(CNC(=O)CCCC2=N[N-]N=N2)NC(=O)NC1=O	REAL250004665481	0	34	-1.0	-52.39	296.43	-3.31	-55.70
CC1(CNC(=O)CCCC2=NN=N[N-]2)NC(=O)NC1=O	REAL250004665481	1	34	-1.0	-52.43	296.49	-3.30	-55.73
O=C(CCCC1=N[N-]N=N1)N1CCC(=O)C2(CCC2)C1	REAL250004665482	0	38	-1.0	-47.30	304.97	4.51	-42.79
O=C(CCCC1=NN=N[N-]1)N1CCC(=O)C2(CCC2)C1	REAL250004665482	1	38	-1.0	-47.34	305.03	4.52	-42.82
CCC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665483	0	39	-1.0	-47.76	297.44	3.37	-44.39
CCC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665483	1	39	-1.0	-47.78	297.50	3.39	-44.39
CCC1(C)COCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004665484	0	42	-1.0	-46.08	317.82	2.95	-43.13
CCC1(C)COCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004665484	1	42	-1.0	-46.08	317.88	2.97	-43.11
COC[C@H](CNC(=O)CCCC1=N[N-]N=N1)OC	REAL250004665485	0	36	-1.0	-46.80	303.40	-0.24	-47.04
COC[C@H](CNC(=O)CCCC1=NN=N[N-]1)OC	REAL250004665485	1	36	-1.0	-46.87	303.46	-0.23	-47.10
COC[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC	REAL250004665486	0	36	-1.0	-36.59	313.99	-0.46	-37.05
COC[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC	REAL250004665486	1	36	-1.0	-36.58	314.06	-0.45	-37.03
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)CC1	REAL250004665487	0	42	-1.0	-47.05	307.70	6.28	-40.77
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)CC1	REAL250004665487	1	42	-1.0	-47.06	307.76	6.30	-40.76
CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665488	0	39	-1.0	-48.92	305.69	3.81	-45.11
CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665488	1	39	-1.0	-48.92	305.75	3.82	-45.10
CCC(C)C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665489	0	37	-1.0	-45.10	316.90	4.02	-41.08
CCC(C)C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665489	1	37	-1.0	-45.14	316.96	4.04	-41.10
CCOC(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665490	0	38	-1.0	-51.52	324.69	4.38	-47.14
CCOC(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665490	1	38	-1.0	-51.56	324.75	4.39	-47.17
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCC(F)(F)CC2	REAL250004665491	0	39	-1.0	-49.08	319.18	5.29	-43.79
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCC(F)(F)CC2	REAL250004665491	1	39	-1.0	-49.10	319.23	5.31	-43.79
O=C(CCCC1=N[N-]N=N1)NCC1CC2C(C1)C2(F)F	REAL250004665492	0	36	-1.0	-47.29	304.06	3.94	-43.35
O=C(CCCC1=NN=N[N-]1)NCC1CC2C(C1)C2(F)F	REAL250004665492	1	36	-1.0	-47.29	304.11	3.95	-43.34
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL250004665493	0	36	-1.0	-48.29	302.56	3.41	-44.88
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL250004665493	1	36	-1.0	-48.30	302.61	3.43	-44.87
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CCSCC2	REAL250004665494	0	37	-1.0	-48.74	306.38	4.80	-43.94
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CCSCC2	REAL250004665494	1	37	-1.0	-48.74	306.44	4.81	-43.93
CC1CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665495	0	38	-1.0	-46.07	304.43	3.79	-42.28
CC1CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665495	1	38	-1.0	-46.11	304.49	3.80	-42.31
CC1CC(C)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665496	0	38	-1.0	-34.68	315.02	3.58	-31.10
CC1CC(C)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665496	1	38	-1.0	-34.71	315.09	3.58	-31.13
NC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665497	0	32	-1.0	-52.45	279.81	-2.23	-54.68
NC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665497	1	32	-1.0	-52.45	279.87	-2.22	-54.67
NC(=O)N1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665498	0	32	-1.0	-41.04	290.40	-2.44	-43.48
NC(=O)N1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665498	1	32	-1.0	-41.00	290.47	-2.43	-43.43
O=C(CCCC1=N[N-]N=N1)N1CCOCC(O)C1	REAL250004665499	0	34	-1.0	-50.90	275.27	-1.12	-52.02
O=C(CCCC1=NN=N[N-]1)N1CCOCC(O)C1	REAL250004665499	1	34	-1.0	-50.89	275.32	-1.11	-52.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC(O)C1	REAL250004665500	0	34	-1.0	-36.51	281.25	-0.08	-36.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC(O)C1	REAL250004665500	1	34	-1.0	-36.46	281.32	-0.06	-36.52
COCC(COC)NC(=O)CCCC1=N[N-]N=N1	REAL250004665501	0	36	-1.0	-45.81	302.54	0.85	-44.96
COCC(COC)NC(=O)CCCC1=NN=N[N-]1	REAL250004665501	1	36	-1.0	-45.82	302.59	0.87	-44.95
COCC(COC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665502	0	36	-1.0	-36.95	313.13	0.66	-36.29
COCC(COC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665502	1	36	-1.0	-36.91	313.20	0.68	-36.23
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004665503	0	35	-1.0	-48.17	302.97	4.38	-43.79
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004665503	1	35	-1.0	-48.19	303.03	4.39	-43.80
CCC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=N1	REAL250004665504	0	36	-1.0	-48.95	302.43	2.20	-46.75
CCC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=N1	REAL250004665504	1	36	-1.0	-48.99	302.48	2.22	-46.77
CN1C(NC(=O)CCCC2=N[N-]N=N2)=NC2=C1CCCC2	REAL250004665505	0	39	-1.0	-58.70	318.52	6.80	-51.90
CN1C(NC(=O)CCCC2=NN=N[N-]2)=NC2=C1CCCC2	REAL250004665505	1	39	-1.0	-58.72	318.57	6.82	-51.90
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004665506	0	34	-1.0	-50.61	277.93	0.83	-49.78
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004665506	1	34	-1.0	-50.62	277.99	0.85	-49.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004665507	0	34	-1.0	-37.89	285.29	1.00	-36.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	REAL250004665507	1	34	-1.0	-37.84	285.36	1.01	-36.83
CC(CC(F)F)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665508	0	34	-1.0	-47.51	284.03	4.80	-42.71
CC(CC(F)F)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665508	1	34	-1.0	-47.53	284.08	4.81	-42.72
CC(CC(F)F)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665509	0	34	-1.0	-38.03	291.83	5.18	-32.85
CC(CC(F)F)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665509	1	34	-1.0	-38.04	291.90	5.21	-32.83
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1CCC1	REAL250004665510	0	39	-1.0	-49.81	327.00	0.89	-48.92
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1CCC1	REAL250004665510	1	39	-1.0	-49.82	327.06	0.91	-48.91
N#CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004665511	0	36	-1.0	-52.74	305.48	4.57	-48.17
N#CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004665511	1	36	-1.0	-52.77	305.54	4.58	-48.19
C[C@H](CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665512	0	35	-1.0	-35.61	302.63	3.58	-32.03
C[C@H](CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665512	1	35	-1.0	-35.59	302.70	3.60	-31.99
C=CCC(C)(C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004665513	0	41	-1.0	-46.65	325.06	4.01	-42.64
C=CCC(C)(C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004665513	1	41	-1.0	-46.67	325.12	4.02	-42.65
O=C(CCCC1=N[N-]N=N1)N1CC2CCCC(=O)NC2C1	REAL250004665514	0	40	-1.0	-51.99	317.24	1.82	-50.17
O=C(CCCC1=NN=N[N-]1)N1CC2CCCC(=O)NC2C1	REAL250004665514	1	40	-1.0	-52.00	317.30	1.83	-50.17
CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1C	REAL250004665515	0	38	-1.0	-46.06	313.92	4.84	-41.22
CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1C	REAL250004665515	1	38	-1.0	-46.11	313.97	4.85	-41.26
CCC=C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665516	0	36	-1.0	-35.86	303.24	5.03	-30.83
CCC=C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665516	1	36	-1.0	-35.78	303.31	5.04	-30.74
CCCCC(CC)NC(=O)CCCC1=N[N-]N=N1	REAL250004665517	0	40	-1.0	-46.19	317.27	4.40	-41.79
CCCCC(CC)NC(=O)CCCC1=NN=N[N-]1	REAL250004665517	1	40	-1.0	-46.19	317.32	4.42	-41.77
CCCCC(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665518	0	40	-1.0	-35.32	327.86	4.19	-31.13
CCCCC(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665518	1	40	-1.0	-35.33	327.92	4.20	-31.13
C=CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004665519	0	33	-1.0	-36.01	295.24	3.04	-32.97
C=CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004665519	1	33	-1.0	-36.03	295.31	3.04	-32.99
O=C(CCCC1=N[N-]N=N1)N1C2CCCC1CC(=O)NC2	REAL250004665520	0	40	-1.0	-47.63	300.39	2.21	-45.42
O=C(CCCC1=NN=N[N-]1)N1C2CCCC1CC(=O)NC2	REAL250004665520	1	40	-1.0	-47.65	300.45	2.22	-45.43
O=C(CCCC1=N[N-]N=N1)NCCC1=NC=CC=C1F	REAL250004665521	0	34	-1.0	-50.73	300.90	2.43	-48.30
O=C(CCCC1=NN=N[N-]1)NCCC1=NC=CC=C1F	REAL250004665521	1	34	-1.0	-50.74	300.96	2.45	-48.29
COC(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665522	0	38	-1.0	-53.16	322.70	3.31	-49.85
COC(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665522	1	38	-1.0	-53.19	322.76	3.32	-49.87
O=C(NC1C2C3CC1CC32)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665523	0	34	-1.0	-35.24	287.22	3.82	-31.42
O=C(NC1C2C3CC1CC32)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665523	1	34	-1.0	-35.22	287.29	3.84	-31.38
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2OC(=O)C[C@@H]12	REAL250004665524	0	33	-1.0	-57.62	283.37	2.32	-55.30
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2OC(=O)C[C@@H]12	REAL250004665524	1	33	-1.0	-57.64	283.43	2.33	-55.31
O=C(CCCC1=N[N-]N=N1)NC1CCCSCC1	REAL250004665525	0	36	-1.0	-46.42	293.96	3.39	-43.03
O=C(CCCC1=NN=N[N-]1)NC1CCCSCC1	REAL250004665525	1	36	-1.0	-46.39	294.02	3.41	-42.98
O=C(CCCC1=N[N-]N=N1)N1CCC(CCO)CC1	REAL250004665526	0	39	-1.0	-49.44	307.31	1.53	-47.91
O=C(CCCC1=NN=N[N-]1)N1CCC(CCO)CC1	REAL250004665526	1	39	-1.0	-49.46	307.37	1.54	-47.92
CCN1C=NN=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665527	0	37	-1.0	-62.14	310.93	5.45	-56.69
CCN1C=NN=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665527	1	37	-1.0	-62.15	310.99	5.47	-56.68
CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665528	0	38	-1.0	-53.56	323.09	5.30	-48.26
CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665528	1	38	-1.0	-53.57	323.15	5.31	-48.26
O=C(CCCC1=N[N-]N=N1)NCCCN1CCCNC1=O	REAL250004665529	0	41	-1.0	-54.74	337.24	0.83	-53.91
O=C(CCCC1=NN=N[N-]1)NCCCN1CCCNC1=O	REAL250004665529	1	41	-1.0	-54.79	337.30	0.85	-53.94
O=C(CCCC1=N[N-]N=N1)N1CCC(CC(F)F)C1	REAL250004665530	0	35	-1.0	-50.13	296.86	4.46	-45.67
O=C(CCCC1=NN=N[N-]1)N1CCC(CC(F)F)C1	REAL250004665530	1	35	-1.0	-50.14	296.92	4.47	-45.67
CC1=NN(CCNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL250004665531	0	38	-1.0	-52.94	323.26	2.51	-50.43
CC1=NN(CCNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL250004665531	1	38	-1.0	-53.00	323.32	2.53	-50.47
CC1=CN=CC=C1CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665532	0	37	-1.0	-49.86	306.63	4.94	-44.92
CC1=CN=CC=C1CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665532	1	37	-1.0	-49.87	306.69	4.95	-44.92
CC1(C)CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004665533	0	39	-1.0	-47.85	314.02	4.93	-42.92
CC1(C)CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004665533	1	39	-1.0	-47.86	314.07	4.95	-42.91
CC1(C)CC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL250004665534	0	39	-1.0	-36.72	321.29	4.91	-31.81
CC1(C)CC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL250004665534	1	39	-1.0	-36.72	321.35	4.92	-31.80
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)COCCO2	REAL250004665535	0	35	-1.0	-51.35	291.42	0.92	-50.43
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)COCCO2	REAL250004665535	1	35	-1.0	-51.36	291.47	0.93	-50.43
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=N2)=C1	REAL250004665536	0	35	-1.0	-54.42	307.05	2.59	-51.83
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC=CC=N2)=C1	REAL250004665536	1	35	-1.0	-54.45	307.11	2.60	-51.85
C#CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004665537	0	31	-1.0	-54.98	282.57	2.47	-52.51
C#CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004665537	1	31	-1.0	-54.96	282.51	2.46	-52.50
C#CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL250004665538	0	31	-1.0	-41.24	293.15	2.27	-38.97
C#CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL250004665538	1	31	-1.0	-41.28	293.08	2.26	-39.02
CC(C)C1CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004665539	0	41	-1.0	-46.16	313.73	5.42	-40.74
CC(C)C1CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004665539	1	41	-1.0	-46.15	313.79	5.43	-40.72
CCO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665540	0	45	-1.0	-48.36	346.28	3.66	-44.70
CCO[C@@H]1CCCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665540	1	45	-1.0	-48.38	346.34	3.67	-44.71
O=C(CCCC1=N[N-]N=N1)NC1CCCC2=NC=CC=C21	REAL250004665541	0	38	-1.0	-48.36	307.58	3.39	-44.97
O=C(CCCC1=NN=N[N-]1)NC1CCCC2=NC=CC=C21	REAL250004665541	1	38	-1.0	-48.36	307.64	3.41	-44.95
CCCCCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665542	0	41	-1.0	-45.95	336.90	1.06	-44.89
CCCCCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665542	1	41	-1.0	-45.99	336.96	1.08	-44.91
COC1=C(F)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004665543	0	33	-1.0	-45.15	291.17	2.97	-42.18
COC1=C(F)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004665543	1	33	-1.0	-45.10	291.23	2.98	-42.12
CC1CC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665544	0	42	-1.0	-45.65	320.96	5.74	-39.91
CC1CC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665544	1	42	-1.0	-45.62	321.01	5.76	-39.86
CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOC1	REAL250004665545	0	36	-1.0	-46.41	277.14	2.33	-44.08
CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOC1	REAL250004665545	1	36	-1.0	-46.41	277.20	2.34	-44.07
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL250004665546	0	36	-1.0	-36.27	290.14	3.40	-32.87
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL250004665546	1	36	-1.0	-36.26	290.21	3.42	-32.84
CC12CCCC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004665547	0	42	-1.0	-46.75	308.02	6.30	-40.45
CC12CCCC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004665547	1	42	-1.0	-46.76	308.08	6.32	-40.44
CC=CC=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665548	0	33	-1.0	-35.10	299.55	3.10	-32.00
CC=CC=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665548	1	33	-1.0	-35.03	299.61	3.11	-31.92
CC(C)N(CC1=CN=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004665549	0	41	-1.0	-45.17	319.93	5.84	-39.33
CC(C)N(CC1=CN=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004665549	1	41	-1.0	-45.13	319.99	5.85	-39.28
O=C(CCCC1=N[N-]N=N1)N1CCC2CC1C(=O)N2	REAL250004665550	0	34	-1.0	-54.38	275.91	0.69	-53.69
O=C(CCCC1=NN=N[N-]1)N1CCC2CC1C(=O)N2	REAL250004665550	1	34	-1.0	-54.43	275.97	0.70	-53.73
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CC1C(=O)N2	REAL250004665551	0	34	-1.0	-42.29	283.36	1.05	-41.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC1C(=O)N2	REAL250004665551	1	34	-1.0	-42.25	283.42	1.06	-41.19
CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004665552	0	34	-1.0	-53.39	288.01	4.25	-49.14
CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004665552	1	34	-1.0	-53.44	288.07	4.27	-49.17
CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL250004665553	0	34	-1.0	-39.88	298.60	4.04	-35.84
CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL250004665553	1	34	-1.0	-39.86	298.67	4.05	-35.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CNN=C2)C=C1	REAL250004665554	0	36	-1.0	-51.04	310.42	3.32	-47.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CNN=C2)C=C1	REAL250004665554	1	36	-1.0	-51.03	310.48	3.34	-47.69
C[C@@H]1CCO[C@@H]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004665555	0	39	-1.0	-49.40	313.13	1.96	-47.44
C[C@@H]1CCO[C@@H]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004665555	1	39	-1.0	-49.42	313.19	1.97	-47.45
CNC(=O)N1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665556	0	35	-1.0	-52.82	301.74	-0.79	-53.61
CNC(=O)N1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665556	1	35	-1.0	-52.87	301.80	-0.78	-53.65
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004665557	0	42	-1.0	-48.01	333.05	6.94	-41.07
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL250004665557	1	42	-1.0	-48.06	333.11	6.96	-41.10
O=C(CCCC1=N[N-]N=N1)NC1=CNC2=CC=CC(F)=C12	REAL250004665558	0	33	-1.0	-47.23	289.61	3.48	-43.75
O=C(CCCC1=NN=N[N-]1)NC1=CNC2=CC=CC(F)=C12	REAL250004665558	1	33	-1.0	-47.24	289.67	3.49	-43.75
COC(=O)C1N(C(=O)CCCC2=N[N-]N=N2)CCC1(C)C	REAL250004665559	0	41	-1.0	-54.06	330.21	4.78	-49.28
COC(=O)C1N(C(=O)CCCC2=NN=N[N-]2)CCC1(C)C	REAL250004665559	1	41	-1.0	-54.07	330.27	4.79	-49.28
CN(CC1=NN(C)C=C1Cl)C(=O)CCCC1=N[N-]N=N1	REAL250004665560	0	35	-1.0	-52.70	316.36	3.79	-48.91
CN(CC1=NN(C)C=C1Cl)C(=O)CCCC1=NN=N[N-]1	REAL250004665560	1	35	-1.0	-52.73	316.41	3.81	-48.92
CCC1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665561	0	37	-1.0	-48.06	308.83	3.44	-44.62
CCC1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665561	1	37	-1.0	-48.10	308.89	3.45	-44.65
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC12CCC2	REAL250004665562	0	45	-1.0	-46.09	334.75	5.13	-40.96
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC12CCC2	REAL250004665562	1	45	-1.0	-46.09	334.81	5.15	-40.94
CCN(CCOCCOC)C(=O)CCCC1=N[N-]N=N1	REAL250004665563	0	42	-1.0	-46.45	344.09	2.90	-43.55
CCN(CCOCCOC)C(=O)CCCC1=NN=N[N-]1	REAL250004665563	1	42	-1.0	-46.52	344.15	2.92	-43.60
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=C(C)S1	REAL250004665564	0	32	-1.0	-47.04	284.03	3.93	-43.11
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=C(C)S1	REAL250004665564	1	32	-1.0	-47.04	284.09	3.94	-43.10
CC1=NN(C(F)F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004665565	0	32	-1.0	-50.73	289.33	1.91	-48.82
CC1=NN(C(F)F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004665565	1	32	-1.0	-50.78	289.38	1.93	-48.85
CC12CCCCC1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL250004665566	0	45	-1.0	-46.22	320.45	6.43	-39.79
CC12CCCCC1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL250004665566	1	45	-1.0	-46.21	320.51	6.45	-39.76
CCN(CCOC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004665567	0	44	-1.0	-45.50	344.77	4.79	-40.71
CCN(CCOC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004665567	1	44	-1.0	-45.55	344.83	4.81	-40.74
CN1N=CN(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004665568	0	29	-1.0	-53.25	266.48	2.17	-51.08
CN1N=CN(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004665568	1	29	-1.0	-53.28	266.54	2.19	-51.09
C=CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665570	0	36	-1.0	-35.42	298.55	4.96	-30.46
C=CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665570	1	36	-1.0	-35.42	298.61	4.96	-30.46
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL250004665571	0	42	-1.0	-46.77	321.23	3.80	-42.97
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL250004665571	1	42	-1.0	-46.70	321.28	3.82	-42.88
O=C(CCCC1=N[N-]N=N1)N1CC(=O)NC2(CC2)C1	REAL250004665572	0	34	-1.0	-47.77	285.85	1.02	-46.75
O=C(CCCC1=NN=N[N-]1)N1CC(=O)NC2(CC2)C1	REAL250004665572	1	34	-1.0	-47.74	285.91	1.04	-46.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(=O)NC2(CC2)C1	REAL250004665573	0	34	-1.0	-39.33	293.27	1.26	-38.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(=O)NC2(CC2)C1	REAL250004665573	1	34	-1.0	-39.30	293.34	1.27	-38.03
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1C1CC1	REAL250004665574	1	41	-1.0	-46.36	320.17	3.13	-43.23
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1C1CC1	REAL250004665574	1	41	-1.0	-46.36	320.23	3.15	-43.21
COC(=O)C(CCC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665575	0	43	-1.0	-50.10	354.90	4.51	-45.59
COC(=O)C(CCC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665575	1	43	-1.0	-50.15	354.96	4.53	-45.62
COC(=O)C12CC(NC(=O)CCCC3=N[N-]N=N3)(C1)C2	REAL250004665576	0	36	-1.0	-48.90	311.33	2.81	-46.09
COC(=O)C12CC(NC(=O)CCCC3=NN=N[N-]3)(C1)C2	REAL250004665576	1	36	-1.0	-48.94	311.39	2.82	-46.12
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=NNC=C2)C1	REAL250004665577	0	37	-1.0	-57.32	313.71	-0.50	-57.82
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=NNC=C2)C1	REAL250004665577	1	37	-1.0	-57.34	313.77	-0.49	-57.83
COCC(C)(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665578	0	39	-1.0	-48.64	317.50	-1.31	-49.95
COCC(C)(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665578	1	39	-1.0	-48.63	317.56	-1.29	-49.92
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665579	0	33	-1.0	-37.59	276.86	0.66	-36.93
C[C@H]1[C@@H](O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665579	1	33	-1.0	-37.55	276.93	0.66	-36.89
CCC(CCC(=O)OC)NC(=O)CCCC1=N[N-]N=N1	REAL250004665580	0	40	-1.0	-48.11	329.73	3.64	-44.47
CCC(CCC(=O)OC)NC(=O)CCCC1=NN=N[N-]1	REAL250004665580	1	40	-1.0	-48.15	329.79	3.66	-44.49
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(Cl)C(F)=C1	REAL250004665582	0	32	-1.0	-46.35	301.68	4.05	-42.30
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(Cl)C(F)=C1	REAL250004665582	1	32	-1.0	-46.38	301.74	4.06	-42.32
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=CC(=O)N2)C1	REAL250004665583	0	36	-1.0	-53.19	300.26	2.61	-50.58
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=CC(=O)N2)C1	REAL250004665583	1	36	-1.0	-53.19	300.32	2.62	-50.57
O=C(CCCC1=N[N-]N=N1)NCC[C@@H](O)C1=CC=CC=C1	REAL250004665584	0	39	-1.0	-49.75	329.37	1.88	-47.87
O=C(CCCC1=NN=N[N-]1)NCC[C@@H](O)C1=CC=CC=C1	REAL250004665584	1	39	-1.0	-49.76	329.43	1.90	-47.86
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C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665586	0	35	-1.0	-46.66	297.10	4.43	-42.23
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665586	1	35	-1.0	-46.64	297.16	4.45	-42.19
CCC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665587	0	34	-1.0	-47.06	306.80	1.99	-45.07
CCC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665587	1	34	-1.0	-47.05	306.86	2.01	-45.04
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004665588	0	42	-1.0	-48.86	339.94	-0.65	-49.51
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004665588	1	42	-1.0	-48.84	339.99	-0.64	-49.48
CC1(C(O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665589	0	36	-1.0	-45.78	299.17	-0.15	-45.93
CC1(C(O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665589	1	36	-1.0	-45.79	299.23	-0.13	-45.92
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004665590	0	38	-1.0	-46.14	298.43	5.22	-40.92
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004665590	1	38	-1.0	-46.19	298.48	5.24	-40.95
CC(C)(C)C(CNC(=O)CCCC1=N[N-]N=N1)OCCO	REAL250004665591	0	45	-1.0	-48.82	356.83	-0.11	-48.93
CC(C)(C)C(CNC(=O)CCCC1=NN=N[N-]1)OCCO	REAL250004665591	1	45	-1.0	-48.83	356.89	-0.09	-48.92
CC(C)(C)CC(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665592	0	44	-1.0	-46.95	338.19	1.49	-45.46
CC(C)(C)CC(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665592	1	44	-1.0	-46.95	338.25	1.50	-45.45
CC1(C2COCCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665593	0	40	-1.0	-44.70	303.09	3.58	-41.12
CC1(C2COCCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665593	1	40	-1.0	-44.68	303.15	3.60	-41.08
CC1N(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004665594	0	32	-1.0	-47.38	271.77	3.70	-43.68
CC1N(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004665594	1	32	-1.0	-47.45	271.83	3.71	-43.74
CC1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(F)F	REAL250004665595	0	32	-1.0	-34.52	279.09	3.95	-30.57
CC1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL250004665595	1	32	-1.0	-34.55	279.16	3.95	-30.60
CC1=CN=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665596	0	33	-1.0	-48.16	290.43	0.38	-47.78
CC1=CN=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665596	1	33	-1.0	-48.17	290.49	0.39	-47.78
CC1=CN=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004665597	0	33	-1.0	-38.27	301.02	0.17	-38.10
CC1=CN=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004665597	1	33	-1.0	-38.24	301.09	0.17	-38.07
O=C(CCCC1=NN=N[N-]1)NCCCOC1=CC=CC=N1	REAL250004665598	0	38	-1.0	-50.71	328.10	1.29	-49.42
O=C(CCCC1=N[N-]N=N1)NCCCOC1=CC=CC=N1	REAL250004665598	1	38	-1.0	-50.64	328.05	1.27	-49.37
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC2=CC=CC=C21	REAL250004665599	0	39	-1.0	-49.01	312.23	5.16	-43.85
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC2=CC=CC=C21	REAL250004665599	1	39	-1.0	-49.03	312.29	5.17	-43.86
O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H](O)[C@@H]2CCC[C@@H]21	REAL250004665600	0	37	-1.0	-46.49	287.66	1.71	-44.78
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H](O)[C@@H]2CCC[C@@H]21	REAL250004665600	1	37	-1.0	-46.54	287.72	1.72	-44.82
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665601	0	34	-1.0	-52.82	294.24	-0.42	-53.24
N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665601	1	34	-1.0	-52.75	294.30	-0.40	-53.15
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COC1(OC)CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665603	0	43	-1.0	-47.01	342.59	2.25	-44.76
COC1(OC)CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665603	1	43	-1.0	-47.02	342.65	2.27	-44.75
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1CCCCC1	REAL250004665604	0	45	-1.0	-46.80	346.22	2.65	-44.15
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1CCCCC1	REAL250004665604	1	45	-1.0	-46.81	346.27	2.66	-44.15
CC1(C)OCC(CNC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004665605	0	40	-1.0	-47.05	318.74	1.40	-45.65
CC1(C)OCC(CNC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004665605	1	40	-1.0	-47.09	318.79	1.41	-45.68
N#CC12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004665607	0	35	-1.0	-48.92	305.16	1.43	-47.49
N#CC12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004665607	1	35	-1.0	-48.97	305.22	1.44	-47.53
NC(=O)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665610	0	33	-1.0	-52.43	290.75	-2.73	-55.16
NC(=O)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665610	1	33	-1.0	-52.46	290.80	-2.72	-55.18
NC(=O)OCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665611	0	33	-1.0	-40.30	301.34	-2.94	-43.24
NC(=O)OCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665611	1	33	-1.0	-40.25	301.41	-2.93	-43.18
CN(C)C(=O)CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665612	0	44	-1.0	-52.46	361.70	3.08	-49.38
CN(C)C(=O)CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665612	1	44	-1.0	-52.50	361.76	3.10	-49.40
CC1=NC2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004665613	0	38	-1.0	-52.19	326.76	2.97	-49.22
CC1=NC2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004665613	1	38	-1.0	-52.22	326.82	2.98	-49.24
CC1=NC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2N1	REAL250004665613	1	38	-1.0	-50.72	326.78	2.97	-47.75
CC1=NC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2N1	REAL250004665613	1	38	-1.0	-50.69	326.84	2.99	-47.70
CC1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004665614	0	39	-1.0	-52.46	329.56	2.58	-49.88
CC1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004665614	1	39	-1.0	-52.43	329.62	2.59	-49.84
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004665615	0	41	-1.0	-46.71	331.82	3.65	-43.06
COC(=O)[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004665615	1	41	-1.0	-46.74	331.88	3.66	-43.08
COC(=O)C1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665616	0	38	-1.0	-50.73	318.38	3.52	-47.21
COC(=O)C1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665616	1	38	-1.0	-50.74	318.44	3.53	-47.21
C=CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004665617	0	41	-1.0	-44.76	341.84	4.43	-40.33
C=CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004665617	1	41	-1.0	-44.74	341.90	4.44	-40.30
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665618	0	42	-1.0	-48.53	352.62	7.88	-40.65
C=CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665618	1	42	-1.0	-48.57	352.68	7.90	-40.67
C[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1(F)F	REAL250004665619	0	32	-1.0	-48.10	282.61	2.80	-45.30
C[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1(F)F	REAL250004665619	1	32	-1.0	-48.07	282.67	2.82	-45.25
C[C@@H]1[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(F)F	REAL250004665620	0	32	-1.0	-37.04	293.20	2.60	-34.44
C[C@@H]1[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(F)F	REAL250004665620	1	32	-1.0	-37.02	293.27	2.60	-34.42
COC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@H](C)O	REAL250004665621	0	35	-1.0	-44.77	295.53	-0.60	-45.37
COC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@H](C)O	REAL250004665621	1	35	-1.0	-44.79	295.59	-0.59	-45.38
O=C(CCCC1=N[N-]N=N1)NCCC1CC2(CCC2)C1	REAL250004665622	0	42	-1.0	-46.66	337.78	5.17	-41.49
O=C(CCCC1=NN=N[N-]1)NCCC1CC2(CCC2)C1	REAL250004665622	1	42	-1.0	-46.68	337.84	5.18	-41.50
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CN=C1Cl	REAL250004665623	0	34	-1.0	-52.22	308.37	2.79	-49.43
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CN=C1Cl	REAL250004665623	1	34	-1.0	-52.21	308.31	2.77	-49.44
CCOC(=O)[C@H](CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004665624	0	35	-1.0	-46.36	305.81	-0.91	-47.27
CCOC(=O)[C@H](CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004665624	1	35	-1.0	-46.38	305.87	-0.90	-47.28
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCCCC1	REAL250004665625	0	47	-1.0	-46.55	340.87	6.81	-39.74
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCCCC1	REAL250004665625	1	47	-1.0	-46.54	340.92	6.83	-39.71
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCC2)C1	REAL250004665626	0	39	-1.0	-47.36	300.97	5.24	-42.12
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCC2)C1	REAL250004665626	1	39	-1.0	-47.40	301.03	5.26	-42.14
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CCC2)C1	REAL250004665627	0	39	-1.0	-35.72	310.42	5.51	-30.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CCC2)C1	REAL250004665627	1	39	-1.0	-35.72	310.49	5.52	-30.20
CC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)N1C	REAL250004665628	0	35	-1.0	-48.80	299.62	2.43	-46.37
CC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)N1C	REAL250004665628	1	35	-1.0	-48.84	299.68	2.44	-46.40
CC1=NC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL250004665629	0	35	-1.0	-38.96	309.35	2.18	-36.78
CC1=NC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL250004665629	1	35	-1.0	-38.97	309.42	2.19	-36.78
CCC1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665630	0	39	-1.0	-49.42	303.13	3.46	-45.96
CCC1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665630	1	39	-1.0	-49.41	303.18	3.48	-45.93
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(Cl)=C1	REAL250004665631	0	29	-1.0	-45.22	286.11	3.03	-42.19
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(Cl)=C1	REAL250004665631	1	29	-1.0	-45.23	286.16	3.04	-42.19
CC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665632	0	36	-1.0	-46.72	290.01	2.77	-43.95
CC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665632	1	36	-1.0	-46.73	290.06	2.79	-43.94
CC[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004665633	0	36	-1.0	-34.75	297.64	3.02	-31.73
CC[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004665633	1	36	-1.0	-34.69	297.71	3.04	-31.65
CC1(C)CC1(CO)CNC(=O)CCCC1=N[N-]N=N1	REAL250004665634	0	39	-1.0	-49.21	318.22	0.32	-48.89
CC1(C)CC1(CO)CNC(=O)CCCC1=NN=N[N-]1	REAL250004665634	1	39	-1.0	-49.23	318.27	0.34	-48.89
O=C(CCCC1=N[N-]N=N1)N1CC=CCC2(CCCC2)C1	REAL250004665635	0	43	-1.0	-47.37	322.01	6.57	-40.80
O=C(CCCC1=NN=N[N-]1)N1CC=CCC2(CCCC2)C1	REAL250004665635	1	43	-1.0	-47.39	322.07	6.58	-40.81
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CCOC2	REAL250004665636	0	40	-1.0	-47.93	322.61	2.34	-45.59
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CCOC2	REAL250004665636	1	40	-1.0	-47.93	322.67	2.35	-45.58
CN(C)[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665638	1	38	-1.0	-46.30	306.57	-1.26	-47.56
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CC1=NN=C([C@H]2C[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2)O1	REAL250004665641	0	37	-1.0	-50.88	318.68	-1.45	-52.33
CC1=NN=C([C@H]2C[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2)O1	REAL250004665641	1	37	-1.0	-50.89	318.74	-1.44	-52.33
CN(CCC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL250004665642	0	38	-1.0	-48.99	325.09	6.44	-42.55
CN(CCC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL250004665642	1	38	-1.0	-48.97	325.14	6.46	-42.51
COC1C2CCCC2C1NC(=O)CCCC1=N[N-]N=N1	REAL250004665643	0	40	-1.0	-47.80	317.63	3.07	-44.73
COC1C2CCCC2C1NC(=O)CCCC1=NN=N[N-]1	REAL250004665643	1	40	-1.0	-47.84	317.69	3.09	-44.75
CN(CCNC(=O)CCCC1=N[N-]N=N1)S(C)(=O)=O	REAL250004665644	0	36	-1.0	-52.42	315.03	-1.54	-53.96
CN(CCNC(=O)CCCC1=NN=N[N-]1)S(C)(=O)=O	REAL250004665644	1	36	-1.0	-52.44	315.09	-1.53	-53.97
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CC(C)(C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665691	0	41	-1.0	-47.31	322.25	5.03	-42.28
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CC1(C)CCCOC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665699	0	42	-1.0	-46.51	323.61	2.42	-44.09
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O=C(CCCC1=N[N-]N=N1)NC(CCO)C1CCC1	REAL250004665706	0	39	-1.0	-46.91	317.54	0.81	-46.10
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1CCC1	REAL250004665706	1	39	-1.0	-46.93	317.60	0.82	-46.11
CCCCC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665707	0	44	-1.0	-46.58	346.90	5.50	-41.08
CCCCC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665707	1	44	-1.0	-46.57	346.95	5.52	-41.05
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)F	REAL250004665708	0	31	-1.0	-36.24	281.55	1.97	-34.27
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)F	REAL250004665708	1	31	-1.0	-36.26	281.62	1.98	-34.28
CNC(=O)C1CC(C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665709	0	42	-1.0	-56.10	329.99	2.52	-53.58
CNC(=O)C1CC(C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665709	1	42	-1.0	-56.10	330.05	2.53	-53.57
COC(=O)C1CC(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665710	0	41	-1.0	-52.66	336.69	4.88	-47.78
COC(=O)C1CC(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665710	1	41	-1.0	-52.66	336.76	4.89	-47.77
CC1=C(C)C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL250004665711	0	39	-1.0	-53.73	327.00	4.61	-49.12
CC1=C(C)C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL250004665711	1	39	-1.0	-53.71	327.05	4.62	-49.09
O=C(CCCC1=N[N-]N=N1)NCC1=C(C2CC2)OC=N1	REAL250004665712	0	35	-1.0	-48.78	307.10	0.42	-48.36
O=C(CCCC1=NN=N[N-]1)NCC1=C(C2CC2)OC=N1	REAL250004665712	1	35	-1.0	-48.79	307.15	0.44	-48.35
CC(C)CC1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665713	0	44	-1.0	-46.65	342.03	5.12	-41.53
CC(C)CC1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665713	1	44	-1.0	-46.63	342.09	5.14	-41.49
O=C(CCCC1=N[N-]N=N1)NCC=C1CCSCC1	REAL250004665714	0	37	-1.0	-47.00	311.69	4.02	-42.98
O=C(CCCC1=NN=N[N-]1)NCC=C1CCSCC1	REAL250004665714	1	37	-1.0	-47.01	311.75	4.04	-42.97
COCCNC(=O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004665715	0	39	-1.0	-55.46	330.94	0.39	-55.07
COCCNC(=O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004665715	1	39	-1.0	-55.46	331.00	0.41	-55.05
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(CCO)O1	REAL250004665716	0	43	-1.0	-47.24	338.47	0.98	-46.26
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(CCO)O1	REAL250004665716	1	43	-1.0	-47.26	338.52	1.00	-46.26
O=C(CCCC1=N[N-]N=N1)NCCCCC(F)(F)F	REAL250004665717	0	34	-1.0	-49.28	301.80	3.17	-46.11
O=C(CCCC1=NN=N[N-]1)NCCCCC(F)(F)F	REAL250004665717	1	34	-1.0	-49.32	301.86	3.18	-46.14
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CC2(F)F)CC1	REAL250004665718	0	39	-1.0	-47.62	311.47	5.77	-41.85
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CC2(F)F)CC1	REAL250004665718	1	39	-1.0	-47.61	311.53	5.79	-41.82
CC(C)(CO)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665719	0	45	-1.0	-48.90	335.01	2.41	-46.49
CC(C)(CO)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665719	1	45	-1.0	-48.91	335.07	2.43	-46.48
CO[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)[C@@H]1C	REAL250004665720	0	39	-1.0	-48.10	301.56	3.46	-44.64
CO[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)[C@@H]1C	REAL250004665720	1	39	-1.0	-48.10	301.62	3.47	-44.63
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665721	0	33	-1.0	-46.06	292.14	-0.30	-46.36
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665721	1	33	-1.0	-46.07	292.20	-0.29	-46.36
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2(O)CC2)C1	REAL250004665722	0	38	-1.0	-49.36	310.33	0.22	-49.14
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2(O)CC2)C1	REAL250004665722	1	38	-1.0	-49.39	310.39	0.23	-49.16
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665723	0	41	-1.0	-45.15	310.77	5.46	-39.69
CC[C@@H]1CC[C@@H](C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665723	1	41	-1.0	-45.19	310.83	5.47	-39.72
CC(C)C1CCC(C)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665724	0	44	-1.0	-45.23	327.46	5.94	-39.29
CC(C)C1CCC(C)N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665724	1	44	-1.0	-45.25	327.52	5.95	-39.30
COCC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665725	0	37	-1.0	-54.76	325.82	-1.17	-55.93
COCC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665725	1	37	-1.0	-54.79	325.87	-1.16	-55.95
CSCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665726	0	34	-1.0	-47.14	315.37	0.15	-46.99
CSCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665726	1	34	-1.0	-47.14	315.43	0.16	-46.98
CCC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004665727	0	33	-1.0	-48.06	292.14	-0.27	-48.33
CCC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004665727	1	33	-1.0	-48.09	292.20	-0.26	-48.35
CC1CCC(C2CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004665728	0	45	-1.0	-46.55	340.37	6.77	-39.78
CC1CCC(C2CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004665728	1	45	-1.0	-46.61	340.43	6.78	-39.83
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CC1)OC2	REAL250004665729	0	43	-1.0	-46.45	332.66	3.11	-43.34
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CC1)OC2	REAL250004665729	1	43	-1.0	-46.46	332.72	3.12	-43.34
CC1(C)CC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665730	0	41	-1.0	-46.19	319.55	4.12	-42.07
CC1(C)CC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665730	1	41	-1.0	-46.23	319.61	4.13	-42.10
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@]2(C(F)F)C1	REAL250004665731	0	33	-1.0	-48.51	284.55	4.33	-44.18
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[C@]2(C(F)F)C1	REAL250004665731	1	33	-1.0	-48.56	284.62	4.34	-44.22
O=C(CCCC1=N[N-]N=N1)NCCC1=NC(C2CC2)=NO1	REAL250004665732	0	37	-1.0	-52.80	323.54	1.36	-51.44
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(C2CC2)=NO1	REAL250004665732	1	37	-1.0	-52.81	323.60	1.38	-51.43
COC1(CNC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004665733	0	37	-1.0	-46.57	301.14	-0.57	-47.14
COC1(CNC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004665733	1	37	-1.0	-46.54	301.19	-0.56	-47.10
CC(C)(C)C1=NOC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665734	0	39	-1.0	-46.04	332.38	0.70	-45.34
CC(C)(C)C1=NOC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665734	1	39	-1.0	-46.01	332.44	0.72	-45.29
COC12CC(C1)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004665735	0	37	-1.0	-48.02	292.96	3.27	-44.75
COC12CC(C1)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004665735	1	37	-1.0	-48.04	293.02	3.28	-44.76
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCCCC2C1	REAL250004665736	0	45	-1.0	-46.37	330.36	6.10	-40.27
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCCCC2C1	REAL250004665736	1	45	-1.0	-46.39	330.42	6.12	-40.27
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCSCC2	REAL250004665737	0	40	-1.0	-48.17	316.85	5.42	-42.75
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCSCC2	REAL250004665737	1	40	-1.0	-48.25	316.90	5.43	-42.82
CCC1=NOC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665738	0	36	-1.0	-52.39	313.64	0.46	-51.93
CCC1=NOC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665738	1	36	-1.0	-52.43	313.70	0.47	-51.96
CCCCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665739	0	44	-1.0	-46.94	338.90	6.41	-40.53
CCCCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665739	1	44	-1.0	-47.00	338.96	6.42	-40.58
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL250004665740	0	41	-1.0	-49.44	319.87	4.40	-45.04
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL250004665740	1	41	-1.0	-49.47	319.93	4.42	-45.05
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2CC2)C1	REAL250004665741	0	40	-1.0	-49.41	329.16	4.40	-45.01
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2CC2)C1	REAL250004665741	1	40	-1.0	-49.40	329.21	4.42	-44.98
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2CC2)C=C1	REAL250004665742	0	39	-1.0	-45.96	328.30	5.59	-40.37
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2CC2)C=C1	REAL250004665742	1	39	-1.0	-45.94	328.36	5.60	-40.34
CCC1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665743	0	35	-1.0	-47.88	288.57	4.16	-43.72
CCC1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665743	1	35	-1.0	-47.87	288.63	4.18	-43.69
CCC1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665744	0	35	-1.0	-37.92	296.60	4.35	-33.57
CCC1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665744	1	35	-1.0	-37.89	296.67	4.35	-33.54
O=C(CCCC1=N[N-]N=N1)NCC=CBr	REAL250004665745	0	26	-1.0	-45.37	253.45	1.73	-43.64
O=C(CCCC1=NN=N[N-]1)NCC=CBr	REAL250004665745	1	26	-1.0	-45.44	253.51	1.75	-43.69
O=C(CCCC1=N[N-]N=N1)NCC1CC(C(F)F)C1	REAL250004665746	0	35	-1.0	-50.28	299.17	3.37	-46.91
O=C(CCCC1=NN=N[N-]1)NCC1CC(C(F)F)C1	REAL250004665746	1	35	-1.0	-50.31	299.23	3.39	-46.92
CN(C)C1(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665747	0	38	-1.0	-51.38	310.89	-2.66	-54.04
CN(C)C1(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665747	1	38	-1.0	-51.39	310.95	-2.65	-54.04
O=C(CCCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2F)C1	REAL250004665748	0	36	-1.0	-49.36	308.97	5.65	-43.71
O=C(CCCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2F)C1	REAL250004665748	1	36	-1.0	-49.38	309.03	5.66	-43.72
O=C(CCCC1=N[N-]N=N1)N1CC2CC(F)(F)C2C1	REAL250004665749	0	33	-1.0	-46.43	278.89	4.08	-42.35
O=C(CCCC1=NN=N[N-]1)N1CC2CC(F)(F)C2C1	REAL250004665749	1	33	-1.0	-46.44	278.95	4.10	-42.34
O=C(CCCC1=N[N-]N=N1)NCC12COC(C1)CCC2	REAL250004665750	0	40	-1.0	-47.06	310.03	2.35	-44.71
O=C(CCCC1=NN=N[N-]1)NCC12COC(C1)CCC2	REAL250004665750	1	40	-1.0	-47.07	310.09	2.36	-44.71
COC1(OC)CC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004665751	0	41	-1.0	-50.13	338.44	2.84	-47.29
COC1(OC)CC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004665751	1	41	-1.0	-50.15	338.50	2.86	-47.29
COC(=O)COC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665752	0	36	-1.0	-53.56	316.80	2.72	-50.84
COC(=O)COC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665752	1	36	-1.0	-53.59	316.86	2.74	-50.85
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCO2)C1	REAL250004665753	0	37	-1.0	-51.65	294.55	2.84	-48.81
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCO2)C1	REAL250004665753	1	37	-1.0	-51.69	294.61	2.85	-48.84
COC(=O)C1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004665754	0	39	-1.0	-51.01	318.97	3.17	-47.84
COC(=O)C1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004665754	1	39	-1.0	-51.01	319.03	3.18	-47.83
CC(C)(C)O[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665755	0	45	-1.0	-48.00	345.77	4.74	-43.26
CC(C)(C)O[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665755	1	45	-1.0	-48.00	345.82	4.75	-43.25
CC(C)(C)O[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665756	0	45	-1.0	-47.98	345.63	4.73	-43.25
CC(C)(C)O[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665756	1	45	-1.0	-47.96	345.68	4.74	-43.22
C#CC(CC1CCCO1)NC(=O)CCCC1=N[N-]N=N1	REAL250004665757	0	38	-1.0	-48.62	320.38	3.59	-45.03
C#CC(CC1CCCO1)NC(=O)CCCC1=NN=N[N-]1	REAL250004665757	1	38	-1.0	-48.68	320.44	3.60	-45.08
C#CC(CC1CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004665758	0	37	-1.0	-47.79	314.26	4.79	-43.00
C#CC(CC1CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004665758	1	37	-1.0	-47.76	314.31	4.81	-42.95
C#CC(CC1CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665759	0	37	-1.0	-36.20	322.79	4.63	-31.57
C#CC(CC1CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665759	1	37	-1.0	-36.18	322.86	4.64	-31.54
O=C(NCC12CC(C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665760	0	33	-1.0	-34.73	286.31	3.02	-31.71
O=C(NCC12CC(C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665760	1	33	-1.0	-34.67	286.37	3.02	-31.65
CCCC1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665761	0	36	-1.0	-50.82	298.52	1.09	-49.73
CCCC1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665761	1	36	-1.0	-50.86	298.58	1.11	-49.75
CCCC1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004665762	0	36	-1.0	-39.31	306.81	0.94	-38.37
CCCC1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004665762	1	36	-1.0	-39.24	306.88	0.95	-38.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CC=CC2	REAL250004665763	0	34	-1.0	-36.85	292.13	4.34	-32.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CC=CC2	REAL250004665763	1	34	-1.0	-36.83	292.19	4.35	-32.48
COC(=O)C12CC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004665764	0	36	-1.0	-52.83	308.81	4.18	-48.65
COC(=O)C12CC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004665764	1	36	-1.0	-52.86	308.87	4.19	-48.67
C#CCOC(=O)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004665765	0	39	-1.0	-45.82	334.72	4.39	-41.43
C#CCOC(=O)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004665765	1	39	-1.0	-45.85	334.78	4.40	-41.45
C#CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665766	0	30	-1.0	-52.60	276.60	4.23	-48.37
C#CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665766	1	30	-1.0	-52.69	276.65	4.24	-48.45
C#CC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004665767	0	30	-1.0	-39.79	287.18	4.01	-35.78
C#CC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004665767	1	30	-1.0	-39.79	287.25	4.01	-35.78
C#CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004665768	0	30	-1.0	-54.19	276.54	4.23	-49.96
C#CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004665768	1	30	-1.0	-54.25	276.60	4.24	-50.01
C#CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL250004665769	0	30	-1.0	-40.05	287.12	4.02	-36.03
C#CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL250004665769	1	30	-1.0	-40.01	287.19	4.02	-35.99
CC1(C)CCCOC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004665770	0	45	-1.0	-48.41	344.79	3.19	-45.22
CC1(C)CCCOC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004665770	1	45	-1.0	-48.38	344.84	3.21	-45.17
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CO1)C2	REAL250004665771	0	40	-1.0	-47.14	319.07	2.40	-44.74
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CO1)C2	REAL250004665771	1	40	-1.0	-47.13	319.13	2.42	-44.71
COC(=O)C1(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665772	0	35	-1.0	-54.49	300.15	3.49	-51.00
COC(=O)C1(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665772	1	35	-1.0	-54.50	300.20	3.50	-51.00
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1CCOCC1	REAL250004665773	0	43	-1.0	-46.75	337.89	0.54	-46.21
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1CCOCC1	REAL250004665773	1	43	-1.0	-46.75	337.95	0.55	-46.20
COCCN1C=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665774	0	38	-1.0	-49.32	331.00	1.64	-47.68
COCCN1C=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665774	1	38	-1.0	-49.37	331.05	1.65	-47.72
O=C(CCCC1=N[N-]N=N1)NNC1=NCCS1	REAL250004665775	0	29	-1.0	-46.21	266.62	0.24	-45.97
O=C(CCCC1=NN=N[N-]1)NNC1=NCCS1	REAL250004665775	1	29	-1.0	-46.21	266.68	0.26	-45.95
O=C(NNC1=NCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665776	0	29	-1.0	-36.18	277.22	0.02	-36.16
O=C(NNC1=NCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665776	1	29	-1.0	-36.11	277.28	0.02	-36.09
CC1=CN=C(C)N=C1NNC(=O)CCCC1=N[N-]N=N1	REAL250004665777	0	35	-1.0	-46.94	302.01	2.74	-44.20
CC1=CN=C(C)N=C1NNC(=O)CCCC1=NN=N[N-]1	REAL250004665777	1	35	-1.0	-46.94	302.06	2.75	-44.19
CC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1C	REAL250004665778	0	37	-1.0	-46.97	308.30	4.18	-42.79
CC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1C	REAL250004665778	1	37	-1.0	-46.97	308.35	4.20	-42.77
COCC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004665779	0	35	-1.0	-49.14	309.67	0.67	-48.47
COCC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004665779	1	35	-1.0	-49.16	309.73	0.68	-48.48
COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665780	0	39	-1.0	-51.83	321.42	1.00	-50.83
COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665780	1	39	-1.0	-51.85	321.48	1.02	-50.83
CN(CC1=CC(F)=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL250004665781	0	35	-1.0	-47.35	304.06	5.54	-41.81
CN(CC1=CC(F)=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL250004665781	1	35	-1.0	-47.39	304.12	5.55	-41.84
O=C(CCCC1=N[N-]N=N1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL250004665782	0	43	-1.0	-46.81	337.79	3.25	-43.56
O=C(CCCC1=NN=N[N-]1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL250004665782	1	43	-1.0	-46.82	337.85	3.26	-43.56
CC(F)(F)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665783	0	35	-1.0	-44.89	298.46	3.50	-41.39
CC(F)(F)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665783	1	35	-1.0	-44.89	298.52	3.52	-41.37
COC1=CC=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665784	0	39	-1.0	-53.45	325.73	4.89	-48.56
COC1=CC=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665784	1	39	-1.0	-53.45	325.79	4.90	-48.55
O=C(CCCC1=N[N-]N=N1)NCC(F)C1=CC=CC=C1	REAL250004665785	0	35	-1.0	-48.08	305.39	4.30	-43.78
O=C(CCCC1=NN=N[N-]1)NCC(F)C1=CC=CC=C1	REAL250004665785	1	35	-1.0	-48.06	305.44	4.31	-43.75
O=C(CCCC1=N[N-]N=N1)NCC1CC(C(F)(F)F)C1	REAL250004665786	0	35	-1.0	-49.14	305.81	3.50	-45.64
O=C(CCCC1=NN=N[N-]1)NCC1CC(C(F)(F)F)C1	REAL250004665786	1	35	-1.0	-49.14	305.87	3.52	-45.62
CC(F)(F)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665787	0	38	-1.0	-50.67	306.02	4.95	-45.72
CC(F)(F)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665787	1	38	-1.0	-50.67	306.08	4.97	-45.70
COC1=CN=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL250004665788	0	38	-1.0	-51.08	320.82	3.09	-47.99
COC1=CN=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL250004665788	1	38	-1.0	-51.10	320.77	3.08	-48.02
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2CC2)C1	REAL250004665789	0	39	-1.0	-46.47	320.59	4.72	-41.75
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2CC2)C1	REAL250004665789	1	39	-1.0	-46.49	320.64	4.73	-41.76
O=C(NCC1CC(C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665790	0	39	-1.0	-34.87	331.18	4.51	-30.36
O=C(NCC1CC(C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665790	1	39	-1.0	-34.85	331.24	4.52	-30.33
O=C(CCCC1=N[N-]N=N1)N1CCOCC(CO)C1	REAL250004665791	0	37	-1.0	-52.20	295.43	-0.46	-52.66
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CC(C)(C)C(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665793	0	40	-1.0	-45.49	295.83	3.44	-42.05
CC(C)(C)C(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665793	1	40	-1.0	-45.53	295.89	3.45	-42.08
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2(CC2)C1	REAL250004665794	0	36	-1.0	-35.25	298.77	5.31	-29.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2(CC2)C1	REAL250004665794	1	36	-1.0	-35.25	298.84	5.35	-29.90
CC(=O)NCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665795	0	34	-1.0	-51.10	298.10	-0.94	-52.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC=C1	REAL250004665796	0	30	-1.0	-51.06	267.87	1.29	-49.77
O=C(CC1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665797	0	37	-1.0	-50.88	300.78	3.35	-47.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(F)=C1	REAL250004665798	0	31	-1.0	-53.64	279.37	3.11	-50.53
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CC1=CN=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004665800	0	32	-1.0	-49.85	286.60	0.09	-49.76
CC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665801	0	36	-1.0	-40.71	290.48	2.63	-38.08
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004665802	0	31	-1.0	-49.20	278.81	1.89	-47.31
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCC1C2	REAL250004665804	0	38	-1.0	-41.26	299.69	3.49	-37.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COCCO1	REAL250004665805	0	31	-1.0	-55.69	271.12	0.62	-55.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC(=O)C=C1	REAL250004665806	0	31	-1.0	-52.17	277.59	-0.01	-52.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=[N+]([O-])C=C1	REAL250004665807	0	31	-1.0	-59.40	280.12	1.68	-57.72
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1C	REAL250004665808	0	35	-1.0	-42.84	295.00	3.19	-39.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CCC1	REAL250004665809	0	35	-1.0	-49.78	290.51	3.20	-46.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOCC1	REAL250004665810	0	35	-1.0	-42.46	289.63	0.88	-41.58
O=C(CC1C=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665811	0	35	-1.0	-42.24	293.12	3.28	-38.96
CC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665812	0	30	-1.0	-46.24	273.61	1.08	-45.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C[N+]([O-])=C1	REAL250004665813	0	31	-1.0	-69.81	279.97	1.67	-68.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC=N1	REAL250004665814	0	29	-1.0	-50.23	264.95	-0.52	-50.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL250004665815	0	31	-1.0	-41.17	264.02	2.04	-39.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL250004665816	0	34	-1.0	-41.10	280.34	2.64	-38.46
CC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665817	0	34	-1.0	-50.70	288.55	3.74	-46.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC=C1	REAL250004665818	0	28	-1.0	-51.87	264.03	1.98	-49.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=N1	REAL250004665819	0	30	-1.0	-50.28	269.88	1.34	-48.94
CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665820	0	31	-1.0	-44.07	271.86	0.99	-43.08
CC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665821	0	31	-1.0	-43.16	275.97	-1.56	-44.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CNC1=O	REAL250004665822	0	31	-1.0	-58.61	275.20	0.28	-58.33
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL250004665823	0	30	-1.0	-47.95	273.59	1.13	-46.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2C=CC1C2	REAL250004665824	0	36	-1.0	-50.00	296.02	3.48	-46.52
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)O1	REAL250004665825	0	34	-1.0	-49.69	296.30	2.67	-47.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCO1	REAL250004665826	0	32	-1.0	-55.47	273.31	1.24	-54.23
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL250004665827	0	31	-1.0	-50.02	274.37	1.84	-48.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN1	REAL250004665828	0	29	-1.0	-53.56	259.82	0.85	-52.71
CC1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665829	0	31	-1.0	-41.03	269.18	2.20	-38.83
CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665830	0	34	-1.0	-52.02	294.36	3.70	-48.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(=O)C=C1	REAL250004665831	0	30	-1.0	-47.78	274.83	-1.45	-49.23
CN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665832	0	32	-1.0	-43.32	276.09	2.66	-40.66
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004665833	0	31	-1.0	-51.80	278.02	0.80	-51.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1	REAL250004665834	0	31	-1.0	-50.33	279.07	3.13	-47.20
CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665835	0	33	-1.0	-41.53	280.28	2.30	-39.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1O	REAL250004665836	0	32	-1.0	-54.39	281.81	1.49	-52.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1	REAL250004665837	0	30	-1.0	-50.35	267.96	1.27	-49.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CO1	REAL250004665838	0	28	-1.0	-49.90	256.90	1.07	-48.83
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL250004665839	0	31	-1.0	-49.56	274.78	1.75	-47.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1F	REAL250004665840	0	31	-1.0	-57.19	277.53	3.12	-54.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL250004665841	0	31	-1.0	-51.86	272.98	3.04	-48.82
CC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665842	0	33	-1.0	-50.25	275.81	2.10	-48.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL250004665843	0	37	-1.0	-40.74	298.67	3.30	-37.44
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL250004665844	0	34	-1.0	-51.80	294.08	3.73	-48.07
CC(=O)NC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665845	0	34	-1.0	-42.55	295.59	-0.75	-43.30
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C	REAL250004665846	0	34	-1.0	-51.25	293.55	1.29	-49.96
O=C(CCN1C=CC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665847	0	34	-1.0	-43.37	299.69	1.72	-41.65
O=C(CCC1=CC=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665848	0	34	-1.0	-42.79	299.45	2.66	-40.13
NC1=NC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665849	0	31	-1.0	-48.29	275.02	-1.40	-49.69
CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004665850	0	34	-1.0	-48.67	300.29	2.67	-46.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CS1	REAL250004665851	0	27	-1.0	-50.96	259.86	0.22	-50.74
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004665852	0	33	-1.0	-50.30	289.57	1.88	-48.42
CCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665853	0	33	-1.0	-41.08	275.50	2.05	-39.03
CSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665854	0	28	-1.0	-43.24	260.35	1.18	-42.06
CC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665855	0	36	-1.0	-41.35	297.85	2.81	-38.54
CC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665856	0	33	-1.0	-40.94	276.04	1.96	-38.98
CCC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665857	0	36	-1.0	-41.28	291.61	2.52	-38.76
CCCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665858	0	36	-1.0	-41.18	297.00	2.80	-38.38
CC(=O)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665859	0	35	-1.0	-50.30	303.76	2.21	-48.09
CSCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665860	0	31	-1.0	-40.80	282.02	1.99	-38.81
CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665861	0	36	-1.0	-41.42	301.78	3.08	-38.34
CCCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665862	0	39	-1.0	-41.36	323.28	3.86	-37.50
CC(C)SCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665863	0	34	-1.0	-42.90	300.09	2.70	-40.20
CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004665864	0	33	-1.0	-49.89	291.49	1.94	-47.95
CCC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665865	0	34	-1.0	-42.87	296.25	-0.74	-43.61
O=C(CC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665866	0	31	-1.0	-51.03	268.51	2.28	-48.75
CC(C)OCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665867	0	37	-1.0	-40.92	313.09	1.54	-39.38
CCC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL250004665868	0	34	-1.0	-50.63	298.91	0.83	-49.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COCCO1	REAL250004665869	0	33	-1.0	-43.37	282.22	0.04	-43.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=C1	REAL250004665870	0	28	-1.0	-51.96	255.49	-0.48	-52.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=[N+]1[O-]	REAL250004665871	0	31	-1.0	-57.34	276.46	1.76	-55.58
CCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665872	0	37	-1.0	-43.98	314.31	1.56	-42.42
O=C(COCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665873	0	35	-1.0	-44.33	303.53	2.57	-41.76
O=C(CC1CCCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665874	0	35	-1.0	-44.79	293.59	1.62	-43.17
CSC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665875	0	31	-1.0	-42.86	279.07	1.74	-41.12
CCOC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665876	0	34	-1.0	-43.80	291.58	1.69	-42.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=C1	REAL250004665877	0	29	-1.0	-57.84	259.94	0.93	-56.91
CC(C)(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665878	0	31	-1.0	-45.84	275.43	1.53	-44.31
COCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665879	0	34	-1.0	-43.91	292.46	0.59	-43.32
CC(F)(F)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665880	0	33	-1.0	-40.96	291.40	2.43	-38.53
CC1=NC=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665882	0	32	-1.0	-48.82	279.19	1.74	-47.08
C=CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665883	0	32	-1.0	-43.23	294.63	2.64	-40.59
CC1=NC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004665884	0	32	-1.0	-47.32	286.77	1.10	-46.22
CCSCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665885	0	34	-1.0	-40.69	303.49	2.88	-37.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NSN=C1	REAL250004665886	0	26	-1.0	-46.03	253.64	-0.98	-47.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=NS1	REAL250004665887	0	26	-1.0	-48.35	255.23	-0.36	-48.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNN=C1	REAL250004665888	0	27	-1.0	-47.22	250.48	-1.92	-49.14
CCCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665889	0	34	-1.0	-42.92	303.31	2.87	-40.05
CCN(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665890	1	38	-1.0	-41.81	302.99	0.41	-41.40
COC(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665891	0	32	-1.0	-42.91	286.79	-2.14	-45.05
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC=C1	REAL250004665892	0	27	-1.0	-49.25	251.39	0.31	-48.94
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL250004665893	0	31	-1.0	-50.98	277.70	0.08	-50.90
COC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665894	0	31	-1.0	-43.75	269.06	0.77	-42.98
CC1=NN(C)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665895	0	34	-1.0	-50.94	293.50	1.54	-49.40
CC1=CN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL250004665896	0	34	-1.0	-60.84	299.37	1.85	-58.99
COC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665897	0	31	-1.0	-43.75	269.06	0.77	-42.98
CC(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665898	0	34	-1.0	-44.02	292.13	1.71	-42.31
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004665899	0	37	-1.0	-41.04	305.45	3.56	-37.48
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CO1	REAL250004665900	0	30	-1.0	-48.38	269.68	-1.52	-49.90
C=CCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665901	0	35	-1.0	-43.80	306.17	2.35	-41.45
CC(C)N(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665902	1	38	-1.0	-41.40	305.22	0.45	-40.95
CN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665903	0	31	-1.0	-49.78	273.18	0.80	-48.98
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CN=C1	REAL250004665904	0	34	-1.0	-46.75	295.48	2.87	-43.88
CCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665905	0	34	-1.0	-43.85	293.36	1.79	-42.06
COCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665906	0	37	-1.0	-42.37	313.96	1.37	-41.00
NC(=O)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665907	0	34	-1.0	-52.53	296.74	-1.64	-54.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL250004665908	0	32	-1.0	-43.13	271.31	0.07	-43.06
CCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665909	0	34	-1.0	-42.37	291.28	1.58	-40.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=N1	REAL250004665910	0	28	-1.0	-52.03	255.87	0.57	-51.46
CN1C=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004665911	0	34	-1.0	-47.02	300.39	1.52	-45.50
CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665912	0	36	-1.0	-41.02	290.27	2.46	-38.56
COC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665913	0	34	-1.0	-42.53	290.10	1.28	-41.25
CCCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665914	0	39	-1.0	-41.20	315.24	3.53	-37.67
C=CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665915	0	31	-1.0	-41.25	271.60	2.08	-39.17
CCOCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665916	0	34	-1.0	-40.98	292.82	0.79	-40.19
COCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665917	0	31	-1.0	-41.10	270.96	-0.17	-41.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCOC1	REAL250004665918	0	35	-1.0	-49.52	289.76	0.92	-48.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC=N1	REAL250004665919	0	27	-1.0	-49.95	259.93	0.07	-49.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(O)=C1	REAL250004665920	0	31	-1.0	-51.34	279.00	-1.60	-52.94
CN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004665921	0	31	-1.0	-52.78	278.30	0.87	-51.91
NC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004665922	0	32	-1.0	-42.71	287.92	-2.01	-44.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC=N1	REAL250004665923	0	27	-1.0	-49.36	251.97	-2.35	-51.71
CC(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665925	0	28	-1.0	-47.38	256.32	1.02	-46.36
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004665926	0	31	-1.0	-51.28	277.58	0.44	-50.84
O=C(CC1=CCCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665927	0	38	-1.0	-50.98	313.48	3.95	-47.03
CCCN(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665928	1	38	-1.0	-51.14	310.56	0.62	-50.52
COCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665929	0	34	-1.0	-40.49	290.21	0.52	-39.97
C=CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665930	0	32	-1.0	-44.35	284.76	1.56	-42.79
CC1=NN(C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665931	0	34	-1.0	-56.06	295.85	1.42	-54.64
CCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004665932	0	34	-1.0	-51.49	299.52	1.68	-49.81
CCCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665933	0	37	-1.0	-43.82	314.86	2.57	-41.25
CC1=NC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665934	0	33	-1.0	-52.13	284.11	1.95	-50.18
CSCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665935	0	34	-1.0	-40.25	299.97	2.55	-37.70
CC1=CC=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665936	0	33	-1.0	-49.46	284.08	1.98	-47.48
O=C(CCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665937	0	34	-1.0	-50.93	290.41	3.09	-47.84
CC1=NNC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665938	0	31	-1.0	-55.01	273.19	0.09	-54.92
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1	REAL250004665938	1	31	-1.0	-50.07	273.11	0.06	-50.01
CC(C)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665939	0	36	-1.0	-40.59	290.66	2.62	-37.97
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)(C)C	REAL250004665940	0	39	-1.0	-40.47	303.29	2.98	-37.49
O=C(CC1=CC=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665941	0	33	-1.0	-45.77	292.41	1.94	-43.83
COC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665942	0	34	-1.0	-43.69	282.06	1.20	-42.49
CC(C)(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665943	0	39	-1.0	-41.16	314.02	3.21	-37.95
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004665944	0	32	-1.0	-48.34	282.59	2.19	-46.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CC1	REAL250004665945	0	32	-1.0	-49.99	273.10	2.52	-47.47
O=C(CC1CCOC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665946	0	35	-1.0	-51.70	291.78	0.80	-50.90
O=C(CC1=NNC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665947	0	31	-1.0	-58.77	276.37	0.18	-58.59
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CO1	REAL250004665948	0	34	-1.0	-55.18	296.97	2.83	-52.35
O=C(CC1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665949	0	34	-1.0	-51.40	285.20	2.81	-48.59
CCC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665950	0	39	-1.0	-40.69	304.71	3.12	-37.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCS1	REAL250004665951	0	32	-1.0	-51.41	281.72	2.39	-49.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCO1	REAL250004665952	0	33	-1.0	-48.54	281.97	1.44	-47.10
CN(C)C(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665953	0	34	-1.0	-65.31	291.85	1.62	-63.69
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004665954	0	34	-1.0	-40.62	285.54	2.85	-37.77
CC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004665955	0	34	-1.0	-48.98	296.70	2.57	-46.41
O=C(CCC1CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665956	0	37	-1.0	-41.42	307.02	3.60	-37.82
O=C(CCN1C=CC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665957	0	35	-1.0	-41.65	304.49	3.60	-38.05
CC1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665958	0	33	-1.0	-50.20	289.40	1.91	-48.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2CCCC21	REAL250004665959	0	35	-1.0	-41.09	286.03	3.49	-37.60
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=N1	REAL250004665960	0	30	-1.0	-49.33	269.64	-1.62	-50.95
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004665961	0	34	-1.0	-40.83	286.59	2.89	-37.94
N#CC1=CNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665962	0	30	-1.0	-57.18	281.18	1.31	-55.87
O=C(CCC1=COC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665963	0	34	-1.0	-42.75	299.44	2.50	-40.25
CC1=CC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665964	0	33	-1.0	-49.19	285.77	2.02	-47.17
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004665965	0	37	-1.0	-41.29	303.27	3.15	-38.14
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004665966	0	34	-1.0	-41.13	281.68	2.55	-38.58
C=CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665967	0	34	-1.0	-41.90	293.09	2.86	-39.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCCC2	REAL250004665968	0	38	-1.0	-41.02	310.30	4.04	-36.98
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004665969	1	38	-1.0	-39.85	303.13	0.36	-39.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)(F)C1	REAL250004665970	0	31	-1.0	-50.22	277.27	2.21	-48.01
CCCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004665971	0	37	-1.0	-40.79	311.82	3.53	-37.26
CC1CC(C#N)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004665972	0	35	-1.0	-40.36	304.37	2.81	-37.55
CN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665973	0	32	-1.0	-53.01	283.01	2.65	-50.36
COCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665974	0	37	-1.0	-53.28	308.75	1.21	-52.07
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL250004665975	0	35	-1.0	-47.62	291.53	0.96	-46.66
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)COC1	REAL250004665976	0	35	-1.0	-49.24	290.41	0.75	-48.49
O=C(CC1=CC=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665977	0	33	-1.0	-45.77	292.41	1.94	-43.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NC=C1	REAL250004665978	0	31	-1.0	-63.16	277.93	-0.02	-63.18
CCC1(C)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665979	0	37	-1.0	-41.04	301.77	3.33	-37.71
O=C(C=C1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665980	0	35	-1.0	-50.30	292.28	3.35	-46.95
CCCC(C)=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665981	0	37	-1.0	-48.99	310.39	3.59	-45.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCC2	REAL250004665982	0	35	-1.0	-50.61	295.39	3.45	-47.16
CCC(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665983	0	39	-1.0	-41.48	307.68	3.23	-38.25
CC(C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004665984	0	37	-1.0	-40.67	302.98	3.75	-36.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL250004665985	0	32	-1.0	-41.24	279.98	2.35	-38.89
O=C(CC1=CC=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665986	0	31	-1.0	-44.99	278.32	1.86	-43.13
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004665987	0	34	-1.0	-41.37	285.31	2.68	-38.69
CC1CCC(=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004665988	0	38	-1.0	-50.29	313.81	3.98	-46.31
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004665989	0	31	-1.0	-50.08	265.98	2.13	-47.95
CC1=C(C)OC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004665990	0	34	-1.0	-49.47	298.43	2.50	-46.97
C=CCC(CC=C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665991	0	38	-1.0	-40.93	317.57	3.75	-37.18
CC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004665992	0	35	-1.0	-51.93	299.98	2.08	-49.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C1CC1)C1CC1	REAL250004665993	0	38	-1.0	-40.53	316.39	4.50	-36.03
CC1(C)C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665994	0	34	-1.0	-49.91	284.41	2.75	-47.16
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL250004665995	0	33	-1.0	-49.69	291.61	1.97	-47.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CO1	REAL250004665996	0	27	-1.0	-49.87	251.96	-2.24	-52.11
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004665997	0	30	-1.0	-49.53	281.37	1.14	-48.39
CC1=NN=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665998	0	32	-1.0	-52.58	279.15	0.87	-51.71
COCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665999	0	37	-1.0	-40.06	307.64	1.16	-38.90
CSC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666000	0	34	-1.0	-42.77	297.84	2.54	-40.23
CCC(SC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666001	0	34	-1.0	-40.03	298.84	2.68	-37.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=N1	REAL250004666002	0	27	-1.0	-56.43	250.57	0.19	-56.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCO1	REAL250004666003	0	35	-1.0	-54.47	290.97	2.04	-52.43
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC=C1	REAL250004666004	0	35	-1.0	-43.73	300.80	3.48	-40.25
CCC(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666005	0	37	-1.0	-43.91	312.90	2.52	-41.39
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NC=N1	REAL250004666006	0	32	-1.0	-47.12	286.88	1.75	-45.37
CN1C=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004666007	0	31	-1.0	-52.34	278.30	2.29	-50.05
CC1(C)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666008	0	34	-1.0	-40.67	284.41	2.75	-37.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(CC1)C2	REAL250004666009	0	38	-1.0	-50.53	306.08	3.55	-46.98
CC1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666010	0	37	-1.0	-50.49	300.73	3.23	-47.26
CC1OCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666011	0	35	-1.0	-42.36	292.96	0.83	-41.53
CC(C)(C)OCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666012	0	37	-1.0	-43.57	306.17	2.11	-41.46
N#CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004666013	0	30	-1.0	-58.56	281.09	1.18	-57.38
C#CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666014	0	35	-1.0	-42.58	307.56	3.60	-38.98
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666015	0	35	-1.0	-49.00	298.52	1.68	-47.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCO1	REAL250004666016	0	29	-1.0	-43.30	254.81	0.23	-43.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCCO1	REAL250004666017	0	32	-1.0	-44.07	273.54	1.18	-42.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCCO1	REAL250004666018	0	32	-1.0	-44.22	273.99	1.24	-42.98
C#CCOCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666019	0	33	-1.0	-42.56	298.60	1.34	-41.22
CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666020	0	37	-1.0	-41.10	302.18	3.24	-37.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004666021	0	24	-1.0	-42.17	229.88	0.22	-41.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CN=C1	REAL250004666022	0	29	-1.0	-50.08	262.90	1.08	-49.00
CCC(C)(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666023	0	39	-1.0	-41.38	306.21	2.94	-38.44
CC#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666024	0	35	-1.0	-44.93	307.89	3.78	-41.15
C#CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666025	0	35	-1.0	-40.68	299.50	3.04	-37.64
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL250004666026	0	35	-1.0	-49.60	289.57	0.57	-49.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C=CCCC1	REAL250004666027	0	35	-1.0	-40.82	290.25	3.21	-37.61
COC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004666028	0	35	-1.0	-39.22	292.81	0.78	-38.44
C#CCCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666029	0	38	-1.0	-43.76	329.06	4.38	-39.38
COC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666030	0	37	-1.0	-42.51	312.00	1.37	-41.14
CCC(C)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666031	0	39	-1.0	-40.71	308.84	3.25	-37.46
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004666032	0	38	-1.0	-50.28	310.22	3.89	-46.39
C#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666033	0	32	-1.0	-44.29	286.06	2.82	-41.47
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666034	0	34	-1.0	-50.82	288.61	2.79	-48.03
CCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666035	0	36	-1.0	-50.38	294.04	2.76	-47.62
C=CC(C)(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666036	0	37	-1.0	-40.81	298.63	3.37	-37.44
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666037	0	31	-1.0	-50.50	269.19	2.20	-48.30
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004666038	0	31	-1.0	-54.10	278.28	1.86	-52.24
O=C(C=CC1=CC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666039	0	33	-1.0	-52.88	292.58	2.16	-50.72
CC1=NNN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666040	0	30	-1.0	-46.53	268.79	-1.31	-47.84
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)O	REAL250004666041	0	37	-1.0	-44.55	301.36	-0.78	-45.33
CC(C)C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666042	0	39	-1.0	-40.80	302.79	2.91	-37.89
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL250004666043	0	35	-1.0	-51.76	292.46	0.88	-50.88
CC(C)C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666044	0	33	-1.0	-41.06	283.81	2.05	-39.01
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004666045	0	30	-1.0	-48.43	273.68	-1.59	-50.02
CCN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666046	0	34	-1.0	-40.76	294.08	1.64	-39.12
O=C(CC1=COC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666047	0	31	-1.0	-53.45	278.04	1.70	-51.75
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)C=C1	REAL250004666048	0	35	-1.0	-41.57	304.92	3.05	-38.52
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004666049	0	37	-1.0	-43.28	305.44	2.00	-41.28
CN1C=NC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666050	0	34	-1.0	-58.22	297.09	2.82	-55.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCCC1	REAL250004666051	0	34	-1.0	-39.05	286.76	2.62	-36.43
C[C@H]1C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666052	0	31	-1.0	-50.28	269.47	2.19	-48.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC=N1	REAL250004666053	0	29	-1.0	-47.35	264.93	1.15	-46.20
O=C(CC1C=CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666054	0	38	-1.0	-51.68	309.47	3.90	-47.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(F)C1	REAL250004666055	0	34	-1.0	-40.66	286.96	2.70	-37.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCC1	REAL250004666056	0	31	-1.0	-39.68	270.48	2.07	-37.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@@H]1C(F)F	REAL250004666057	0	31	-1.0	-41.23	280.43	2.42	-38.81
CCCCC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666058	0	39	-1.0	-41.09	318.50	3.59	-37.50
CN1N=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666059	0	30	-1.0	-41.66	265.98	-0.40	-42.06
COC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666060	0	37	-1.0	-43.24	299.82	1.91	-41.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CS1	REAL250004666061	0	27	-1.0	-47.81	261.07	0.16	-47.65
CCC(C)(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666062	0	37	-1.0	-43.66	300.30	1.85	-41.81
C=CC(C)(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666063	0	35	-1.0	-41.22	292.40	0.62	-40.60
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=C1	REAL250004666064	0	32	-1.0	-52.82	278.06	1.53	-51.29
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL250004666065	0	34	-1.0	-50.07	295.86	2.62	-47.45
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=N1	REAL250004666066	0	33	-1.0	-50.99	289.75	1.89	-49.10
O=C(CCC1=NC=CN1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666067	0	34	-1.0	-44.91	298.09	1.22	-43.69
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CN1C	REAL250004666068	0	35	-1.0	-52.73	298.74	3.15	-49.58
CC(C)(C(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666069	0	34	-1.0	-64.27	287.65	-0.56	-64.83
CC(C)(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666070	0	34	-1.0	-41.06	281.74	0.07	-40.99
O=C(CCC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666071	0	30	-1.0	-44.21	271.45	1.79	-42.42
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004666072	0	35	-1.0	-52.40	299.90	2.45	-49.95
CN1C=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666073	0	31	-1.0	-43.09	272.63	2.20	-40.89
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004666074	0	33	-1.0	-40.74	285.66	2.16	-38.58
C#CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666075	0	29	-1.0	-41.60	264.56	2.04	-39.56
O=C(C[C@H]1CCOC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666076	0	35	-1.0	-43.94	291.49	0.80	-43.14
CSC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666077	0	32	-1.0	-39.21	292.72	2.56	-36.65
CCC(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666078	0	39	-1.0	-41.29	316.08	3.46	-37.83
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CN1	REAL250004666079	0	35	-1.0	-52.29	299.77	2.22	-50.07
CC1(C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666080	0	37	-1.0	-50.84	298.02	3.01	-47.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCCC1	REAL250004666081	0	38	-1.0	-50.10	303.91	3.83	-46.27
CC1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL250004666082	0	34	-1.0	-49.32	296.17	2.42	-46.90
CCC(C)(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666083	0	34	-1.0	-42.73	292.31	2.01	-40.72
O=C(COC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666084	0	28	-1.0	-43.28	261.61	0.38	-42.90
CCC=C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666085	0	34	-1.0	-50.53	286.23	2.82	-47.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCCC1	REAL250004666086	0	35	-1.0	-50.17	288.91	3.26	-46.91
CC=C(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666087	0	34	-1.0	-50.06	286.90	2.75	-47.31
CN1N=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004666088	0	30	-1.0	-48.96	273.52	-0.80	-49.76
CON=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666089	0	28	-1.0	-52.50	260.02	-0.68	-53.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC(=O)N1	REAL250004666090	0	30	-1.0	-61.14	269.68	-2.64	-63.78
CC1=COC(C)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666091	0	34	-1.0	-50.49	301.18	2.46	-48.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CN1	REAL250004666092	0	28	-1.0	-48.94	256.04	-0.22	-49.16
O=C(CC1CCC2CC21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666093	0	38	-1.0	-41.09	308.73	4.05	-37.04
CC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666094	0	34	-1.0	-50.45	290.86	2.95	-47.50
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CCC1	REAL250004666095	0	38	-1.0	-51.42	305.90	3.53	-47.89
CN(C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666096	0	36	-1.0	-39.55	299.45	0.38	-39.17
CC1=CNN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666097	0	31	-1.0	-44.10	273.97	0.21	-43.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NN=C1	REAL250004666098	0	30	-1.0	-54.32	272.90	-1.41	-55.73
CC(C)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666099	0	39	-1.0	-41.41	319.35	3.59	-37.82
CC1=CN=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666100	0	33	-1.0	-49.89	284.17	1.97	-47.92
COCC#CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666101	0	30	-1.0	-52.25	278.34	0.44	-51.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NSC=C1	REAL250004666102	0	27	-1.0	-48.70	259.44	0.52	-48.18
C#CCOC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666103	0	33	-1.0	-46.46	297.36	2.24	-44.22
C=CC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666104	0	34	-1.0	-40.94	284.80	2.36	-38.58
O=C(CSC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666105	0	32	-1.0	-53.22	292.40	2.90	-50.32
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)N1	REAL250004666106	0	34	-1.0	-50.74	295.56	1.02	-49.72
CC1=NC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004666106	1	34	-1.0	-52.55	294.63	1.06	-51.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@@H]1C1CC1	REAL250004666107	0	35	-1.0	-41.08	301.48	3.77	-37.31
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL250004666108	0	34	-1.0	-49.27	299.70	1.74	-47.53
CCC1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666109	0	34	-1.0	-50.24	285.39	2.97	-47.27
N#CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666110	0	31	-1.0	-50.28	279.64	2.04	-48.24
C=CCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666111	0	37	-1.0	-40.76	305.20	3.07	-37.69
N#CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666112	0	32	-1.0	-64.27	285.28	2.38	-61.89
CCCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666113	0	37	-1.0	-42.30	312.78	2.36	-39.94
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666114	0	37	-1.0	-50.67	312.09	3.74	-46.93
O=C(CCCC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666115	0	37	-1.0	-41.78	311.90	3.87	-37.91
CC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666116	0	33	-1.0	-40.62	293.56	1.90	-38.72
CC1CC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666117	0	34	-1.0	-51.14	289.90	2.96	-48.18
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL250004666118	0	30	-1.0	-49.17	274.02	-0.63	-49.80
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004666119	0	37	-1.0	-51.11	299.19	3.21	-47.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCOC1	REAL250004666120	0	32	-1.0	-47.99	277.77	0.05	-47.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CCF)CC1	REAL250004666121	0	34	-1.0	-41.03	296.91	2.89	-38.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCNC1=O	REAL250004666122	0	32	-1.0	-47.76	277.93	-1.65	-49.41
CC1CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666123	0	38	-1.0	-50.12	309.56	3.89	-46.23
O=C(CCC1=CNN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666124	0	34	-1.0	-44.83	298.55	1.02	-43.81
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL250004666125	0	37	-1.0	-51.13	303.71	3.37	-47.76
CCOC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666126	0	37	-1.0	-42.31	310.25	2.48	-39.83
CC1=CN(C)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666127	0	34	-1.0	-52.57	296.75	1.54	-51.03
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)N=C1	REAL250004666128	0	34	-1.0	-41.26	289.16	1.71	-39.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250004666129	0	30	-1.0	-52.57	277.05	1.87	-50.70
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL250004666130	0	32	-1.0	-48.83	286.87	0.80	-48.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2CC2C1	REAL250004666131	0	38	-1.0	-40.39	305.54	3.93	-36.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CC2	REAL250004666132	0	32	-1.0	-51.10	280.26	2.99	-48.11
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1(F)F	REAL250004666133	0	31	-1.0	-54.11	276.91	2.32	-51.79
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1F	REAL250004666134	0	31	-1.0	-44.61	270.14	2.22	-42.39
C=C(C)C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666135	0	37	-1.0	-40.83	301.36	2.88	-37.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)C1	REAL250004666136	0	38	-1.0	-41.02	313.16	3.88	-37.14
CCN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004666137	0	34	-1.0	-52.52	299.60	1.71	-50.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CC1	REAL250004666138	0	28	-1.0	-46.64	254.37	1.58	-45.06
COC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666139	0	32	-1.0	-41.93	276.10	1.11	-40.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(=O)C1	REAL250004666140	0	33	-1.0	-50.71	284.49	1.72	-48.99
CN1C=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004666141	0	34	-1.0	-59.79	299.33	1.51	-58.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CCC1	REAL250004666142	0	34	-1.0	-48.44	285.04	2.61	-45.83
CC1=NOC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666143	0	30	-1.0	-53.00	270.40	1.10	-51.90
O=C(CC1CSC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666144	0	32	-1.0	-45.25	285.25	2.43	-42.82
COC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666145	0	32	-1.0	-43.20	275.26	-0.32	-43.52
N#CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666146	0	34	-1.0	-46.24	301.14	2.82	-43.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CC1	REAL250004666147	0	31	-1.0	-49.63	275.06	2.21	-47.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CSC1	REAL250004666148	0	29	-1.0	-41.17	264.16	1.68	-39.49
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL250004666149	0	31	-1.0	-45.36	273.61	1.18	-44.18
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL250004666149	1	31	-1.0	-53.45	272.63	1.22	-52.23
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL250004666150	0	34	-1.0	-51.64	294.94	1.91	-49.73
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL250004666150	1	34	-1.0	-53.14	294.39	1.94	-51.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1CCC1	REAL250004666151	0	38	-1.0	-50.70	317.81	4.26	-46.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1COC2	REAL250004666152	0	33	-1.0	-40.26	283.70	0.77	-39.49
CCC(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666153	0	31	-1.0	-42.52	277.28	1.69	-40.83
CCCC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666154	0	39	-1.0	-41.12	311.77	3.23	-37.89
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(=O)C1	REAL250004666155	0	33	-1.0	-50.75	285.12	1.66	-49.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CC2C1	REAL250004666156	0	35	-1.0	-40.70	289.99	3.29	-37.41
CSC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666157	0	34	-1.0	-43.07	292.97	2.32	-40.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CC21	REAL250004666158	0	38	-1.0	-50.66	305.80	3.89	-46.77
CC1=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL250004666159	0	34	-1.0	-55.33	297.71	2.49	-52.84
C=C1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666160	0	29	-1.0	-41.21	261.64	2.09	-39.12
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004666161	1	35	-1.0	-41.43	283.47	-0.49	-41.92
O=C(NC1=CC(N2N=N[N-]C2=O)=CC=C1)[C@H]1C[C@@H](O)C1	REAL250004666162	0	32	-1.0	-45.06	275.75	-1.39	-46.45
CC1(C)CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666163	0	37	-1.0	-50.19	298.68	3.23	-46.96
O=C(COCC(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666164	0	31	-1.0	-49.97	284.88	1.29	-48.68
CC1=COC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666165	0	31	-1.0	-53.95	275.22	1.72	-52.23
COCC(OC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666166	0	35	-1.0	-42.49	300.78	0.20	-42.29
COC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666167	0	35	-1.0	-40.76	297.68	1.03	-39.73
CC(CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666168	0	30	-1.0	-40.01	263.16	1.53	-38.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1COC(=O)N1	REAL250004666169	0	30	-1.0	-50.56	269.99	-2.69	-53.25
CC1=CN=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666170	0	34	-1.0	-59.19	298.17	3.27	-55.92
CCN1C=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004666171	0	34	-1.0	-51.81	300.37	3.17	-48.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250004666172	0	33	-1.0	-40.81	283.36	0.90	-39.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250004666173	0	35	-1.0	-41.01	291.72	3.37	-37.64
CN1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666174	0	36	-1.0	-52.60	297.96	0.08	-52.52
CN1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666175	0	36	-1.0	-42.79	298.54	0.27	-42.52
C[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C	REAL250004666176	1	35	-1.0	-51.05	282.71	-0.58	-51.63
CC1=NC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666177	0	32	-1.0	-49.14	281.19	0.11	-49.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC2)C1	REAL250004666178	0	35	-1.0	-40.94	296.38	3.43	-37.51
C=C1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666179	0	35	-1.0	-49.93	295.12	3.08	-46.85
CC1=CC=NN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666180	0	34	-1.0	-58.18	299.28	1.65	-56.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCC(=O)O1	REAL250004666181	0	31	-1.0	-64.88	275.93	1.93	-62.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC1CCCC2	REAL250004666182	0	38	-1.0	-50.61	305.63	3.84	-46.77
CCOC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666183	0	37	-1.0	-43.75	303.91	2.13	-41.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2CC2)C1	REAL250004666184	0	38	-1.0	-41.45	317.24	4.23	-37.22
CC1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1C1CC1	REAL250004666185	0	38	-1.0	-40.49	314.68	4.37	-36.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC12CC2	REAL250004666186	0	38	-1.0	-50.20	311.33	3.83	-46.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=N1	REAL250004666187	0	29	-1.0	-49.25	264.94	0.21	-49.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=CN1	REAL250004666188	1	30	-1.0	-66.14	273.48	-0.72	-66.86
N#CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL250004666189	0	29	-1.0	-54.98	277.22	1.56	-53.42
NC1=CC=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666190	0	32	-1.0	-48.59	280.47	-0.45	-49.04
CC1=CON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666191	0	30	-1.0	-42.57	270.50	0.98	-41.59
CC1CC1C1CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666192	0	38	-1.0	-50.80	317.18	4.21	-46.59
CN1N=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL250004666193	0	29	-1.0	-50.37	268.14	-1.23	-51.60
CC1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004666194	0	31	-1.0	-49.60	279.07	1.75	-47.85
CCCC(CC)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666195	0	39	-1.0	-40.72	312.94	3.80	-36.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2(CC2)C12CC2	REAL250004666196	0	36	-1.0	-51.03	312.75	4.48	-46.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC=CCC1	REAL250004666197	0	38	-1.0	-40.88	304.71	3.78	-37.10
O=C(C[C@@H]1C[C@H]1C1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666198	0	38	-1.0	-42.05	322.07	4.55	-37.50
C=CC(C)(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666199	0	37	-1.0	-40.40	299.14	3.03	-37.37
O=C(COC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666200	0	32	-1.0	-55.93	282.24	1.77	-54.16
CC1COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666201	0	35	-1.0	-54.87	293.84	1.81	-53.06
C=C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666202	0	38	-1.0	-40.62	310.61	3.74	-36.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CCC1	REAL250004666203	0	38	-1.0	-50.30	305.90	3.98	-46.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CC1	REAL250004666204	0	35	-1.0	-41.20	289.77	3.72	-37.48
C[C@@H]1CC=CC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666205	0	38	-1.0	-40.68	308.70	3.81	-36.87
C#CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666206	0	30	-1.0	-45.37	287.59	2.60	-42.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC=N1	REAL250004666207	0	29	-1.0	-55.23	265.77	0.53	-54.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2CCC(=O)C21	REAL250004666208	0	34	-1.0	-49.17	287.25	2.21	-46.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1CCC2	REAL250004666209	0	35	-1.0	-50.90	292.25	3.31	-47.59
O=C(CC1CC=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666210	0	38	-1.0	-42.37	309.53	3.90	-38.47
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CCC1	REAL250004666211	0	35	-1.0	-49.82	292.07	3.05	-46.77
C=CC(CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666212	0	37	-1.0	-41.63	308.84	3.33	-38.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)C=CN1	REAL250004666213	0	31	-1.0	-64.52	277.87	0.81	-63.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)O1	REAL250004666214	0	28	-1.0	-45.34	263.32	1.20	-44.14
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL250004666215	0	35	-1.0	-51.03	291.45	3.08	-47.95
CNC(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666216	0	34	-1.0	-44.09	296.90	-0.93	-45.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCCC21	REAL250004666217	0	38	-1.0	-41.33	301.85	3.78	-37.55
CC1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666218	0	37	-1.0	-50.87	306.76	3.45	-47.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1F	REAL250004666219	0	31	-1.0	-52.03	270.97	2.12	-49.91
CCC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004666220	0	34	-1.0	-50.88	299.02	1.08	-49.80
COC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666221	0	35	-1.0	-44.72	300.11	1.62	-43.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1CF	REAL250004666222	0	31	-1.0	-43.62	276.05	2.32	-41.30
CC(C)(CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666223	0	33	-1.0	-39.45	281.04	2.06	-37.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CCO1	REAL250004666224	0	33	-1.0	-54.23	283.36	1.89	-52.34
O=C(CC1CC(F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666225	0	34	-1.0	-55.45	291.74	2.91	-52.54
C=C(C)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666226	0	37	-1.0	-42.25	314.98	3.52	-38.73
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666227	0	29	-1.0	-43.29	269.08	1.94	-41.35
O=C(CCC[N+](=O)[O-])NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666228	0	32	-1.0	-48.36	287.88	1.93	-46.43
C=C(C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666229	0	34	-1.0	-40.97	293.21	2.75	-38.22
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL250004666230	0	39	-1.0	-40.66	308.04	3.58	-37.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)C1	REAL250004666231	0	31	-1.0	-41.70	270.52	2.11	-39.59
CCC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666232	0	30	-1.0	-40.62	265.09	1.56	-39.06
CC1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666233	0	37	-1.0	-50.62	297.30	3.00	-47.62
C#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL250004666234	0	36	-1.0	-40.37	305.53	3.56	-36.81
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C#N)C1	REAL250004666235	0	35	-1.0	-51.04	298.11	2.65	-48.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NS1	REAL250004666236	0	27	-1.0	-48.31	260.19	0.69	-47.62
CN1N=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666237	0	34	-1.0	-57.66	297.57	1.25	-56.41
CCN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666238	0	35	-1.0	-41.67	295.95	3.38	-38.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1F	REAL250004666239	0	28	-1.0	-40.15	254.89	1.61	-38.54
O=C(CN1N=CN=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666240	0	29	-1.0	-59.89	267.62	-0.08	-59.97
CC(C)=CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666241	0	37	-1.0	-41.09	310.94	3.52	-37.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)CC1CC1	REAL250004666242	0	34	-1.0	-41.05	297.24	3.11	-37.94
CC(=CC1CC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666243	0	35	-1.0	-50.77	296.46	3.58	-47.19
O=C(CCOC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666244	0	35	-1.0	-41.09	303.18	1.57	-39.52
CCSC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666245	0	34	-1.0	-42.78	300.54	2.63	-40.15
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)F	REAL250004666246	0	33	-1.0	-52.90	287.22	2.32	-50.58
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666247	0	31	-1.0	-50.50	269.19	2.20	-48.30
CC(C)CC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666248	0	36	-1.0	-40.89	302.26	2.80	-38.09
C=C(Cl)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666249	0	31	-1.0	-41.50	288.62	2.61	-38.89
CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004666250	0	35	-1.0	-51.84	303.47	2.15	-49.69
CCC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)OC	REAL250004666251	0	37	-1.0	-42.98	306.73	1.74	-41.24
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666252	0	37	-1.0	-40.90	309.65	3.51	-37.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)CO2	REAL250004666253	0	33	-1.0	-48.29	280.85	0.75	-47.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC=CCC1	REAL250004666254	0	35	-1.0	-40.53	290.95	3.21	-37.32
O=C(CC1CC(=O)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666255	0	33	-1.0	-47.24	288.20	1.89	-45.35
CN(C)C(=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666256	0	31	-1.0	-44.46	270.02	-0.43	-44.89
COC(=O)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666257	0	33	-1.0	-47.37	289.17	2.26	-45.11
O=C(CC1=CN=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666258	0	32	-1.0	-46.39	286.94	1.75	-44.64
CC1(F)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004666259	0	34	-1.0	-39.96	291.52	2.72	-37.24
CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666260	0	31	-1.0	-43.17	281.82	2.08	-41.09
CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL250004666261	0	35	-1.0	-55.45	294.87	1.96	-53.49
CC1(C)CC1(C#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666262	0	35	-1.0	-40.16	302.22	2.90	-37.26
O=C(C[C@@H]1CC=CCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666263	0	38	-1.0	-51.39	309.42	3.91	-47.48
CCC1=CNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004666264	0	35	-1.0	-53.32	303.43	2.29	-51.03
CC1=CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666265	0	38	-1.0	-49.67	311.04	3.83	-45.84
O=C(CC12CC(C1)C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666266	0	35	-1.0	-42.22	291.06	3.45	-38.77
O=C(CC1CC=CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666267	0	35	-1.0	-42.15	293.33	3.28	-38.87
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL250004666268	0	32	-1.0	-57.59	281.87	1.50	-56.09
O=C(CCCCCF)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666269	0	36	-1.0	-43.65	308.37	3.22	-40.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)CO1	REAL250004666270	0	31	-1.0	-55.01	276.39	0.28	-54.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1[C@H](F)C2	REAL250004666271	0	32	-1.0	-43.17	282.85	2.82	-40.35
O=C(CC1CC2CC2C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666272	0	38	-1.0	-51.79	311.07	4.14	-47.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCCOC1	REAL250004666273	0	33	-1.0	-50.84	279.96	0.90	-49.94
C=CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004666274	0	35	-1.0	-49.97	291.78	3.43	-46.54
C[C@@H]1C[C@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@H]12	REAL250004666275	0	35	-1.0	-50.43	295.92	3.34	-47.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC(=O)O1	REAL250004666276	0	29	-1.0	-51.28	266.17	1.07	-50.21
CO[C@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666277	0	31	-1.0	-54.29	270.44	0.73	-53.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250004666278	0	35	-1.0	-51.15	286.82	3.18	-47.97
CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004666279	0	33	-1.0	-50.17	291.38	2.00	-48.17
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1C	REAL250004666280	0	34	-1.0	-52.77	297.90	1.33	-51.44
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL250004666281	0	32	-1.0	-52.31	281.99	1.41	-50.90
O=C(CC1CC2(CC2)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666282	0	38	-1.0	-42.28	317.86	4.19	-38.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CC1(F)F	REAL250004666283	0	28	-1.0	-43.70	259.58	1.71	-41.99
C[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL250004666284	0	35	-1.0	-50.87	297.51	3.35	-47.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC(=O)O1	REAL250004666285	0	31	-1.0	-51.41	275.66	1.97	-49.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CCC1	REAL250004666286	0	34	-1.0	-40.98	288.08	2.80	-38.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)OC2	REAL250004666287	0	33	-1.0	-49.92	281.84	0.52	-49.40
C[C@H]1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H]1C	REAL250004666288	0	34	-1.0	-49.23	278.30	2.69	-46.54
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666289	0	35	-1.0	-54.25	289.74	0.73	-53.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC1(F)F	REAL250004666290	0	28	-1.0	-50.18	260.81	1.69	-48.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@H]1C(F)F	REAL250004666291	0	31	-1.0	-52.72	274.81	2.50	-50.22
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(=O)C1	REAL250004666292	0	31	-1.0	-44.75	285.82	1.24	-43.51
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CCCC1	REAL250004666293	0	38	-1.0	-40.57	305.88	3.63	-36.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC2)CC1	REAL250004666294	0	38	-1.0	-41.05	305.56	4.07	-36.98
CC(C)(F)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666295	0	36	-1.0	-41.21	302.79	2.84	-38.37
O=C(CN1C=NC=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666296	0	30	-1.0	-63.10	272.32	2.61	-60.49
C#CCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666297	0	30	-1.0	-46.91	277.65	1.52	-45.39
C#C[C@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666298	0	30	-1.0	-54.27	270.67	2.70	-51.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CC(=O)N1	REAL250004666299	0	29	-1.0	-48.65	261.76	-2.88	-51.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2C3CC1CC32	REAL250004666300	0	36	-1.0	-51.89	295.14	3.68	-48.21
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL250004666301	0	35	-1.0	-57.62	301.94	3.12	-54.50
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1C	REAL250004666302	0	39	-1.0	-47.47	309.34	3.30	-44.17
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1C	REAL250004666302	1	39	-1.0	-47.48	309.40	3.32	-44.16
CC(C)(C#N)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666304	0	39	-1.0	-49.85	329.59	5.31	-44.54
CC(C)(C#N)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666304	1	39	-1.0	-49.82	329.65	5.33	-44.49
N#CC(C#N)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666305	0	37	-1.0	-53.55	314.72	4.63	-48.92
N#CC(C#N)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666305	1	37	-1.0	-53.55	314.78	4.65	-48.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)[C@H](O)C1	REAL250004666306	0	31	-1.0	-37.79	272.62	-3.73	-41.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H](O)C1	REAL250004666306	1	31	-1.0	-37.74	272.69	-3.72	-41.46
O=C(NC1CCC12CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666307	0	36	-1.0	-35.07	302.26	3.64	-31.43
O=C(NC1CCC12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666307	1	36	-1.0	-34.98	302.33	3.65	-31.33
O=C(CCCC1=N[N-]N=N1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2	REAL250004666308	0	37	-1.0	-49.52	284.50	2.19	-47.33
O=C(CCCC1=NN=N[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2	REAL250004666308	1	37	-1.0	-49.51	284.56	2.21	-47.30
COCC1(NC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004666309	0	36	-1.0	-46.86	306.91	1.56	-45.30
COCC1(NC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004666309	1	36	-1.0	-46.88	306.97	1.58	-45.30
C#CC(CC1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666310	0	41	-1.0	-48.26	333.40	4.24	-44.02
C#CC(CC1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666310	1	41	-1.0	-48.24	333.46	4.26	-43.98
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCC(C2)C1	REAL250004666311	0	42	-1.0	-46.56	304.03	6.17	-40.39
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCC(C2)C1	REAL250004666311	1	42	-1.0	-46.56	304.09	6.18	-40.38
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=C2)C1	REAL250004666313	0	35	-1.0	-52.75	296.45	3.66	-49.09
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=C2)C1	REAL250004666313	1	35	-1.0	-52.75	296.50	3.67	-49.08
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOC=C2)C1	REAL250004666314	0	35	-1.0	-52.75	296.45	3.66	-49.09
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOC=C2)C1	REAL250004666314	1	35	-1.0	-52.75	296.50	3.67	-49.08
COC1=NSC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666315	0	35	-1.0	-46.23	315.55	0.21	-46.02
COC1=NSC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666315	1	35	-1.0	-46.24	315.61	0.23	-46.01
O=C(CCCC1=N[N-]N=N1)NC1CCN2C(=O)NN=C2C1	REAL250004666316	0	36	-1.0	-53.59	305.24	0.76	-52.83
O=C(CCCC1=NN=N[N-]1)NC1CCN2C(=O)NN=C2C1	REAL250004666316	1	36	-1.0	-53.60	305.30	0.77	-52.83
COC1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666317	0	35	-1.0	-52.98	299.34	2.60	-50.38
COC1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666317	1	35	-1.0	-52.95	299.28	2.59	-50.36
C[C@H](ONC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004666318	0	35	-1.0	-53.16	307.19	3.54	-49.62
C[C@H](ONC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004666318	1	35	-1.0	-53.16	307.25	3.55	-49.61
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=N[N-]N=N1	REAL250004666319	0	40	-1.0	-48.36	321.47	3.94	-44.42
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=NN=N[N-]1	REAL250004666319	1	40	-1.0	-48.38	321.53	3.95	-44.43
O=C(CCCC1=N[N-]N=N1)NC1(CCC(F)(F)F)CC1	REAL250004666320	0	35	-1.0	-49.49	309.92	3.91	-45.58
O=C(CCCC1=NN=N[N-]1)NC1(CCC(F)(F)F)CC1	REAL250004666320	1	35	-1.0	-49.51	309.98	3.93	-45.58
CC(=O)C1=CC=C(C)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666321	0	37	-1.0	-59.93	313.55	4.68	-55.25
CC(=O)C1=CC=C(C)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666321	1	37	-1.0	-59.97	313.61	4.70	-55.27
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL250004666322	0	37	-1.0	-49.44	296.50	0.99	-48.45
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL250004666322	1	37	-1.0	-49.45	296.56	1.01	-48.44
C=CCN(CCC(=O)OC)C(=O)CCCC1=N[N-]N=N1	REAL250004666323	0	38	-1.0	-49.94	326.68	4.87	-45.07
C=CCN(CCC(=O)OC)C(=O)CCCC1=NN=N[N-]1	REAL250004666323	1	38	-1.0	-49.93	326.74	4.88	-45.05
CC1=CC(O)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004666324	0	33	-1.0	-48.42	298.76	1.73	-46.69
CC1=CC(O)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004666324	1	33	-1.0	-48.41	298.82	1.74	-46.67
CC1CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004666325	0	32	-1.0	-46.64	272.38	3.69	-42.95
CC1CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004666325	1	32	-1.0	-46.67	272.43	3.70	-42.97
CC1CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666326	0	32	-1.0	-35.63	279.21	3.85	-31.78
CC1CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666326	1	32	-1.0	-35.63	279.28	3.85	-31.78
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=NO2)CC1	REAL250004666328	0	38	-1.0	-51.86	312.57	4.79	-47.07
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=NO2)CC1	REAL250004666328	1	38	-1.0	-51.85	312.62	4.80	-47.05
CC(C)N(CC(=O)N(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004666329	0	41	-1.0	-53.16	325.76	3.68	-49.48
CC(C)N(CC(=O)N(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004666329	1	41	-1.0	-53.14	325.82	3.69	-49.45
CC1=CN=C(N(C)C(=O)CCCC2=NN=N[N-]2)S1	REAL250004666330	0	31	-1.0	-54.31	277.67	4.35	-49.96
CC1=CN=C(N(C)C(=O)CCCC2=N[N-]N=N2)S1	REAL250004666330	1	31	-1.0	-54.26	277.61	4.34	-49.92
CCOC1=NN(C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004666331	0	36	-1.0	-46.53	310.06	-0.00	-46.53
CCOC1=NN(C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004666331	1	36	-1.0	-46.48	310.00	-0.01	-46.49
COCCOCCONC(=O)CCCC1=N[N-]N=N1	REAL250004666332	0	37	-1.0	-54.47	321.65	1.18	-53.29
COCCOCCONC(=O)CCCC1=NN=N[N-]1	REAL250004666332	1	37	-1.0	-54.50	321.71	1.19	-53.31
C[C@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004666333	0	38	-1.0	-46.36	296.34	4.41	-41.95
C[C@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004666333	1	38	-1.0	-46.33	296.39	4.42	-41.91
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666334	0	38	-1.0	-35.28	306.92	4.21	-31.07
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666334	1	38	-1.0	-35.23	307.01	4.23	-31.00
O=C(CCCC1=N[N-]N=N1)NC1CCC2=NNN=C2C1	REAL250004666335	0	35	-1.0	-51.65	293.37	0.29	-51.36
O=C(CCCC1=NN=N[N-]1)NC1CCC2=NNN=C2C1	REAL250004666335	1	35	-1.0	-51.65	293.43	0.31	-51.34
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CNC(=O)C2=C1	REAL250004666336	0	35	-1.0	-64.27	304.12	2.61	-61.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CNC(=O)C2=C1	REAL250004666336	1	35	-1.0	-64.25	304.18	2.63	-61.62
CC1=CC2=CC=CN=C2C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666337	0	37	-1.0	-50.03	314.15	4.60	-45.43
CC1=CC2=CC=CN=C2C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666337	1	37	-1.0	-50.01	314.10	4.58	-45.43
O=C(CCCC1=N[N-]N=N1)N[C@H]1C(=O)O[C@H]2CCC[C@@H]12	REAL250004666338	0	36	-1.0	-47.60	296.21	3.73	-43.87
O=C(CCCC1=NN=N[N-]1)N[C@H]1C(=O)O[C@H]2CCC[C@@H]12	REAL250004666338	1	36	-1.0	-47.59	296.26	3.74	-43.85
O=C(CCCC1=NN=N[N-]1)NC1(C2=NC=CC=N2)CC1	REAL250004666339	0	34	-1.0	-52.45	299.03	2.27	-50.18
O=C(CCCC1=N[N-]N=N1)NC1(C2=NC=CC=N2)CC1	REAL250004666339	1	34	-1.0	-52.44	298.97	2.26	-50.18
CC1=CC2=C(C=N1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004666340	0	35	-1.0	-45.96	290.10	4.16	-41.80
CC1=CC2=C(C=N1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004666340	1	35	-1.0	-45.96	290.16	4.18	-41.78
CSC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666341	0	32	-1.0	-51.73	289.86	4.05	-47.68
CSC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666341	1	32	-1.0	-51.72	289.80	4.04	-47.68
COCCC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004666342	0	43	-1.0	-47.56	335.50	2.52	-45.04
COCCC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004666342	1	43	-1.0	-47.61	335.56	2.53	-45.08
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)C(F)(CO)C1	REAL250004666343	0	40	-1.0	-50.60	321.12	1.77	-48.83
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)C(F)(CO)C1	REAL250004666343	1	40	-1.0	-50.62	321.17	1.79	-48.83
O=C(CCCC1=N[N-]N=N1)NC1=NC=NN1C1=CC=NC=C1	REAL250004666344	0	34	-1.0	-52.98	301.16	6.18	-46.80
O=C(CCCC1=NN=N[N-]1)NC1=NC=NN1C1=CC=NC=C1	REAL250004666344	1	34	-1.0	-53.00	301.22	6.19	-46.81
O=C(CCCC1=N[N-]N=N1)N(CC1=CSC=C1)C1CC1	REAL250004666345	0	36	-1.0	-47.05	310.43	5.83	-41.22
O=C(CCCC1=NN=N[N-]1)N(CC1=CSC=C1)C1CC1	REAL250004666345	1	36	-1.0	-47.07	310.48	5.84	-41.23
O=C(CCCC1=N[N-]N=N1)NC1CN(C(=O)C2CC2)C1	REAL250004666347	0	37	-1.0	-51.52	318.04	2.07	-49.45
O=C(CCCC1=NN=N[N-]1)NC1CN(C(=O)C2CC2)C1	REAL250004666347	1	37	-1.0	-51.52	318.10	2.08	-49.44
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(CC2CC2)S1	REAL250004666348	1	34	-1.0	-55.85	309.55	3.79	-52.06
CC1(C)NC(=O)N(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL250004666349	0	34	-1.0	-55.86	300.74	-0.61	-56.47
CC1(C)NC(=O)N(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL250004666349	1	34	-1.0	-55.87	300.79	-0.59	-56.46
O=C(CCCC1=N[N-]N=N1)NC1(C2CCSCC2)CC1	REAL250004666350	0	40	-1.0	-46.35	321.26	4.83	-41.52
O=C(CCCC1=NN=N[N-]1)NC1(C2CCSCC2)CC1	REAL250004666350	1	40	-1.0	-46.37	321.31	4.82	-41.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC1C(F)F	REAL250004666351	0	29	-1.0	-37.78	266.94	2.92	-34.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC1C(F)F	REAL250004666351	1	29	-1.0	-37.77	267.00	2.93	-34.84
CCCCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666352	0	41	-1.0	-48.09	323.14	5.81	-42.28
CCCCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666352	1	41	-1.0	-48.10	323.20	5.82	-42.28
CC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004666353	0	38	-1.0	-45.31	319.12	5.38	-39.93
CC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004666353	1	38	-1.0	-45.31	319.17	5.40	-39.91
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CNC(=O)O2	REAL250004666354	0	32	-1.0	-60.50	280.11	-1.04	-61.54
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CNC(=O)O2	REAL250004666354	1	32	-1.0	-60.47	280.17	-1.02	-61.49
O=C(CCCC1=N[N-]N=N1)NC1CCC2C1C2(F)F	REAL250004666355	0	33	-1.0	-49.59	285.15	3.38	-46.21
O=C(CCCC1=NN=N[N-]1)NC1CCC2C1C2(F)F	REAL250004666355	1	33	-1.0	-49.59	285.20	3.39	-46.20
CC1(C)CC(CO)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666356	0	42	-1.0	-49.42	330.46	0.76	-48.66
CC1(C)CC(CO)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666356	1	42	-1.0	-49.39	330.51	0.78	-48.61
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC(F)F	REAL250004666357	0	36	-1.0	-47.99	293.37	2.68	-45.31
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC(F)F	REAL250004666357	1	36	-1.0	-48.02	293.43	2.69	-45.33
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2(F)F)C1	REAL250004666358	0	36	-1.0	-46.98	308.33	4.05	-42.93
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2(F)F)C1	REAL250004666358	1	36	-1.0	-47.01	308.38	4.06	-42.95
O=C(CCCC1=N[N-]N=N1)NC1CCCC2C1C2(F)F	REAL250004666359	0	36	-1.0	-49.08	299.00	3.91	-45.17
O=C(CCCC1=NN=N[N-]1)NC1CCCC2C1C2(F)F	REAL250004666359	1	36	-1.0	-49.10	299.06	3.93	-45.17
CC1(C)CC2(CC2NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666360	0	39	-1.0	-46.20	319.25	4.39	-41.81
CC1(C)CC2(CC2NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666360	1	39	-1.0	-46.22	319.31	4.41	-41.81
CC1(C)CC2(CC2NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666361	0	39	-1.0	-34.90	329.84	4.19	-30.71
CC1(C)CC2(CC2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666361	1	39	-1.0	-34.85	329.91	4.19	-30.66
COCCC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666362	0	36	-1.0	-49.08	304.23	1.78	-47.30
COCCC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666362	1	36	-1.0	-49.11	304.29	1.79	-47.32
COCCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004666363	0	36	-1.0	-37.02	314.85	1.58	-35.44
COCCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004666363	1	36	-1.0	-37.00	314.92	1.58	-35.42
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004666364	0	38	-1.0	-49.39	308.72	2.54	-46.85
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL250004666364	1	38	-1.0	-49.44	308.78	2.55	-46.89
CCC(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666365	0	39	-1.0	-51.05	308.50	2.01	-49.04
CCC(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666365	1	39	-1.0	-51.06	308.56	2.03	-49.03
CCC(O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666366	0	39	-1.0	-51.02	308.53	2.01	-49.01
CCC(O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666366	1	39	-1.0	-51.04	308.59	2.03	-49.01
O=C(CCCC1=N[N-]N=N1)N1CC2CC3CC2C1C3	REAL250004666367	0	37	-1.0	-48.27	287.59	5.30	-42.97
O=C(CCCC1=NN=N[N-]1)N1CC2CC3CC2C1C3	REAL250004666367	1	37	-1.0	-48.29	287.65	5.32	-42.97
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC3CC2C1C3	REAL250004666368	0	37	-1.0	-37.11	294.84	5.50	-31.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC3CC2C1C3	REAL250004666368	1	37	-1.0	-37.13	294.91	5.51	-31.62
CN1N=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL250004666369	0	32	-1.0	-47.07	298.11	1.51	-45.56
CN1N=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL250004666369	1	32	-1.0	-47.11	298.17	1.52	-45.59
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)(C(F)F)C1	REAL250004666370	0	36	-1.0	-54.27	298.08	1.20	-53.07
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)(C(F)F)C1	REAL250004666370	1	36	-1.0	-54.27	298.14	1.21	-53.06
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2CC2)=NO1	REAL250004666371	0	37	-1.0	-50.14	316.70	2.45	-47.69
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2CC2)=NO1	REAL250004666371	1	37	-1.0	-50.17	316.76	2.46	-47.71
C=CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004666372	0	33	-1.0	-35.31	290.00	3.37	-31.94
C=CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004666372	1	33	-1.0	-35.33	290.07	3.39	-31.94
CCCC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004666373	0	40	-1.0	-46.38	334.29	5.20	-41.18
CCCC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004666373	1	40	-1.0	-46.43	334.35	5.22	-41.21
C#CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666374	0	36	-1.0	-36.67	321.54	3.88	-32.79
C#CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666374	1	36	-1.0	-36.61	321.61	3.89	-32.72
O=C(CCCC1=N[N-]N=N1)NCC1CC2(CC2F)C1	REAL250004666375	0	36	-1.0	-47.74	306.53	4.01	-43.73
O=C(CCCC1=NN=N[N-]1)NCC1CC2(CC2F)C1	REAL250004666375	1	36	-1.0	-47.71	306.59	4.03	-43.68
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004666376	0	45	-1.0	-47.00	347.29	3.43	-43.57
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004666376	1	45	-1.0	-47.02	347.35	3.45	-43.57
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(O)(C2)C1	REAL250004666377	0	43	-1.0	-46.97	326.68	1.23	-45.74
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCC(O)(C2)C1	REAL250004666377	1	43	-1.0	-46.99	326.74	1.24	-45.75
CC(NC(=O)CCCC1=N[N-]N=N1)C12CCC(CC1)C2	REAL250004666378	0	42	-1.0	-46.14	322.80	4.72	-41.42
CC(NC(=O)CCCC1=NN=N[N-]1)C12CCC(CC1)C2	REAL250004666378	1	42	-1.0	-46.16	322.85	4.73	-41.43
C#CC(CNC(=O)CCCC1=N[N-]N=N1)CC(C)(C)C	REAL250004666379	0	42	-1.0	-46.11	337.12	4.65	-41.46
C#CC(CNC(=O)CCCC1=NN=N[N-]1)CC(C)(C)C	REAL250004666379	1	42	-1.0	-46.12	337.18	4.67	-41.45
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C(F)F)=C1	REAL250004666381	0	29	-1.0	-51.34	267.15	1.58	-49.76
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C(F)F)=C1	REAL250004666381	1	29	-1.0	-51.36	267.21	1.59	-49.77
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)CC(C1CC1)=NO2	REAL250004666382	0	38	-1.0	-48.33	324.28	3.83	-44.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)CC(C1CC1)=NO2	REAL250004666382	1	38	-1.0	-48.35	324.34	3.84	-44.51
C[C@@H](O)C1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666383	0	35	-1.0	-47.88	307.98	-2.41	-50.29
C[C@@H](O)C1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666383	1	35	-1.0	-47.88	308.04	-2.40	-50.28
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004666384	0	37	-1.0	-55.67	314.26	-0.55	-56.22
CC1=NN=C([C@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004666384	1	37	-1.0	-55.67	314.32	-0.54	-56.21
COC1=CC=C2C(=C1)CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004666385	0	37	-1.0	-46.51	303.08	4.60	-41.91
COC1=CC=C2C(=C1)CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004666385	1	37	-1.0	-46.55	303.14	4.62	-41.93
COC(=O)C[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666386	0	38	-1.0	-49.52	317.40	4.19	-45.33
COC(=O)C[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666386	1	38	-1.0	-49.52	317.46	4.21	-45.31
CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004666387	0	39	-1.0	-49.24	333.43	5.26	-43.98
CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004666387	1	39	-1.0	-49.24	333.49	5.27	-43.97
O=C(CCCC1=N[N-]N=N1)NC1CC2(CC2F)C1	REAL250004666388	0	33	-1.0	-50.16	285.21	3.37	-46.79
O=C(CCCC1=NN=N[N-]1)NC1CC2(CC2F)C1	REAL250004666388	1	33	-1.0	-50.16	285.27	3.38	-46.78
O=C(NC1CC2(CC2F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666389	0	33	-1.0	-37.24	295.78	3.15	-34.09
O=C(NC1CC2(CC2F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666389	1	33	-1.0	-37.26	295.85	3.16	-34.10
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CC1CCC2C1	REAL250004666390	0	43	-1.0	-46.92	331.87	5.24	-41.68
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CC1CCC2C1	REAL250004666390	1	43	-1.0	-46.91	331.93	5.25	-41.66
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCOC2	REAL250004666391	0	37	-1.0	-51.91	291.39	2.73	-49.18
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCOC2	REAL250004666391	1	37	-1.0	-51.93	291.45	2.75	-49.18
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL250004666392	0	38	-1.0	-52.87	314.17	-0.20	-53.07
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL250004666392	1	38	-1.0	-52.90	314.22	-0.19	-53.09
CC1CC(O)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666393	0	33	-1.0	-37.25	277.50	0.30	-36.95
CC1CC(O)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666393	1	33	-1.0	-37.26	277.57	0.31	-36.95
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C=CCO2)CC1	REAL250004666394	0	41	-1.0	-50.15	313.41	5.27	-44.88
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C=CCO2)CC1	REAL250004666394	1	41	-1.0	-50.19	313.46	5.29	-44.90
O=C(CCCC1=N[N-]N=N1)N1CCCC2(CCCO2)CC1	REAL250004666395	0	43	-1.0	-45.93	319.31	4.97	-40.96
O=C(CCCC1=NN=N[N-]1)N1CCCC2(CCCO2)CC1	REAL250004666395	1	43	-1.0	-45.93	319.37	4.98	-40.95
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC2)C2=CC=CC=C21	REAL250004666396	0	40	-1.0	-49.12	317.31	7.21	-41.91
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC2)C2=CC=CC=C21	REAL250004666396	1	40	-1.0	-49.13	317.37	7.22	-41.91
CC(C)C1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666397	0	42	-1.0	-49.42	319.53	3.94	-45.48
CC(C)C1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666397	1	42	-1.0	-49.43	319.59	3.95	-45.48
O=C(CCCC1=N[N-]N=N1)N1CC(COC(F)F)C1	REAL250004666398	0	33	-1.0	-49.28	293.08	2.10	-47.18
O=C(CCCC1=NN=N[N-]1)N1CC(COC(F)F)C1	REAL250004666398	1	33	-1.0	-49.28	293.13	2.12	-47.16
CC1(C)CCC2(CCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666399	0	45	-1.0	-48.08	332.86	5.78	-42.30
CC1(C)CCC2(CCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666399	1	45	-1.0	-48.07	332.91	5.80	-42.27
O=C(CCCC1=NN=N[N-]1)N1CC(OC2=NC=CC=N2)C1	REAL250004666400	0	35	-1.0	-51.66	307.99	0.18	-51.48
O=C(CCCC1=N[N-]N=N1)N1CC(OC2=NC=CC=N2)C1	REAL250004666400	1	35	-1.0	-51.63	307.94	0.17	-51.46
COC(=O)C1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666401	0	39	-1.0	-51.83	318.32	2.80	-49.03
COC(=O)C1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666401	1	39	-1.0	-51.82	318.38	2.82	-49.00
CC1(C)OC2(CO)CC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004666402	0	41	-1.0	-48.42	327.22	-1.19	-49.61
CC1(C)OC2(CO)CC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004666402	1	41	-1.0	-48.45	327.28	-1.17	-49.62
COCC(C)(CCO)NC(=O)CCCC1=N[N-]N=N1	REAL250004666403	0	39	-1.0	-47.21	311.18	-1.86	-49.07
COCC(C)(CCO)NC(=O)CCCC1=NN=N[N-]1	REAL250004666403	1	39	-1.0	-47.23	311.24	-1.85	-49.08
CC1CC(CO)(CO)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004666404	0	40	-1.0	-48.83	317.16	-0.67	-49.50
CC1CC(CO)(CO)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004666404	1	40	-1.0	-48.83	317.21	-0.65	-49.48
O=C(CCCC1=N[N-]N=N1)NC12COC(C=CC1)C2	REAL250004666405	0	35	-1.0	-48.26	282.62	1.50	-46.76
O=C(CCCC1=NN=N[N-]1)NC12COC(C=CC1)C2	REAL250004666405	1	35	-1.0	-48.27	282.68	1.52	-46.75
CCOC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004666406	0	41	-1.0	-46.13	337.97	4.43	-41.70
CCOC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004666406	1	41	-1.0	-46.14	338.03	4.44	-41.70
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCCC2C1	REAL250004666407	0	37	-1.0	-48.72	298.95	2.69	-46.03
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCCC2C1	REAL250004666407	1	37	-1.0	-48.70	299.01	2.71	-45.99
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(F)(F)C1	REAL250004666408	0	35	-1.0	-48.82	289.83	4.52	-44.30
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(F)(F)C1	REAL250004666408	1	35	-1.0	-48.84	289.89	4.54	-44.30
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2COC[C@H]21	REAL250004666409	0	38	-1.0	-47.82	302.87	1.05	-46.77
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2COC[C@H]21	REAL250004666409	1	38	-1.0	-47.81	302.93	1.07	-46.74
C=C1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666410	0	33	-1.0	-35.42	280.31	4.44	-30.98
C=C1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666410	1	33	-1.0	-35.37	280.38	4.44	-30.93
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL250004666411	0	37	-1.0	-57.97	312.39	-0.49	-58.46
CC1=NN=C([C@@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL250004666411	1	37	-1.0	-57.92	312.45	-0.48	-58.40
CCO[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666412	0	36	-1.0	-49.35	297.48	2.82	-46.53
CCO[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666412	1	36	-1.0	-49.32	297.54	2.84	-46.48
CCO[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666413	0	36	-1.0	-36.64	304.74	3.07	-33.57
CCO[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666413	1	36	-1.0	-36.63	304.80	3.08	-33.55
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL250004666414	0	32	-1.0	-46.41	274.53	3.59	-42.82
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL250004666414	1	32	-1.0	-46.44	274.59	3.60	-42.84
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL250004666415	0	32	-1.0	-35.30	282.25	3.76	-31.54
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL250004666415	1	32	-1.0	-35.29	282.31	3.77	-31.52
O=C(CCCC1=N[N-]N=N1)N1[C@@H]2CC[C@H]1[C@H](CO)C2	REAL250004666416	0	37	-1.0	-48.46	298.97	1.53	-46.93
O=C(CCCC1=NN=N[N-]1)N1[C@@H]2CC[C@H]1[C@H](CO)C2	REAL250004666416	1	37	-1.0	-48.48	299.03	1.54	-46.94
CC1=NC(Cl)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666417	0	34	-1.0	-46.51	308.17	2.88	-43.63
CC1=NC(Cl)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666417	1	34	-1.0	-46.56	308.23	2.89	-43.67
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004666419	0	42	-1.0	-48.59	333.80	6.91	-41.68
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL250004666419	1	42	-1.0	-48.63	333.86	6.93	-41.70
CN1C=CN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666420	0	29	-1.0	-42.00	266.07	4.31	-37.69
CN1C=CN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666420	1	29	-1.0	-41.96	266.00	4.31	-37.65
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C1=CC=CC=C1	REAL250004666421	0	42	-1.0	-48.73	335.59	6.63	-42.10
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C1=CC=CC=C1	REAL250004666421	1	42	-1.0	-48.77	335.65	6.64	-42.13
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1CCCC2	REAL250004666422	0	42	-1.0	-46.05	337.58	5.78	-40.27
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1CCCC2	REAL250004666422	1	42	-1.0	-46.07	337.64	5.80	-40.27
O=C(CCCC1=N[N-]N=N1)NCC12COC(C=CC1)C2	REAL250004666423	0	38	-1.0	-46.89	305.30	2.28	-44.61
O=C(CCCC1=NN=N[N-]1)NCC12COC(C=CC1)C2	REAL250004666423	1	38	-1.0	-46.92	305.36	2.29	-44.63
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC1(F)F	REAL250004666424	0	33	-1.0	-51.59	296.34	3.98	-47.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC1(F)F	REAL250004666424	1	33	-1.0	-51.57	296.28	3.97	-47.60
O=C(CCCC1=N[N-]N=N1)NCC12CCCCC1C2(F)F	REAL250004666425	0	39	-1.0	-47.48	314.73	4.47	-43.01
O=C(CCCC1=NN=N[N-]1)NCC12CCCCC1C2(F)F	REAL250004666425	1	39	-1.0	-47.48	314.79	4.49	-42.99
CSCC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666426	0	42	-1.0	-46.13	330.89	5.53	-40.60
CSCC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666426	1	42	-1.0	-46.15	330.94	5.55	-40.60
COC(C)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004666427	0	39	-1.0	-47.62	327.10	3.90	-43.72
COC(C)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004666427	1	39	-1.0	-47.63	327.15	3.91	-43.72
CC(C)(O)COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666428	0	39	-1.0	-49.96	326.32	-1.04	-51.00
CC(C)(O)COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666428	1	39	-1.0	-49.95	326.38	-1.03	-50.98
CC1=NN(C(C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004666429	0	38	-1.0	-48.29	316.20	3.11	-45.18
CC1=NN(C(C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004666429	1	38	-1.0	-48.30	316.26	3.12	-45.18
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C=CCO2)C1	REAL250004666430	0	32	-1.0	-40.22	283.70	1.93	-38.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C=CCO2)C1	REAL250004666430	1	32	-1.0	-40.17	283.77	1.95	-38.22
O=C(CCCC1=N[N-]N=N1)NC1CC(CC2=CC=CC=C2)C1	REAL250004666431	0	42	-1.0	-47.87	348.11	6.34	-41.53
O=C(CCCC1=NN=N[N-]1)NC1CC(CC2=CC=CC=C2)C1	REAL250004666431	1	42	-1.0	-47.87	348.16	6.35	-41.52
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC(F)(F)C1	REAL250004666432	0	38	-1.0	-46.09	300.22	5.26	-40.83
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC(F)(F)C1	REAL250004666432	1	38	-1.0	-46.12	300.27	5.27	-40.85
O=C(CCCC1=N[N-]N=N1)NC1CC(CC(F)(F)F)C1	REAL250004666433	0	35	-1.0	-48.83	305.68	3.68	-45.15
O=C(CCCC1=NN=N[N-]1)NC1CC(CC(F)(F)F)C1	REAL250004666433	1	35	-1.0	-48.82	305.74	3.69	-45.13
CN1N=C(C(F)F)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666434	0	35	-1.0	-47.93	314.32	1.89	-46.04
CN1N=C(C(F)F)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666434	1	35	-1.0	-47.96	314.38	1.91	-46.05
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004666435	0	40	-1.0	-46.36	320.72	2.36	-44.00
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004666435	1	40	-1.0	-46.41	320.78	2.37	-44.04
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CCCC[C@@]2(CO)C1	REAL250004666436	0	43	-1.0	-49.14	328.65	2.66	-46.48
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CCCC[C@@]2(CO)C1	REAL250004666436	1	43	-1.0	-49.20	328.70	2.68	-46.52
O=C(CCCC1=N[N-]N=N1)NC1CNC(=O)CC12CCC2	REAL250004666437	0	40	-1.0	-47.59	321.36	0.98	-46.61
O=C(CCCC1=NN=N[N-]1)NC1CNC(=O)CC12CCC2	REAL250004666437	1	40	-1.0	-47.60	321.42	0.99	-46.61
COC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666438	0	41	-1.0	-50.34	329.04	4.86	-45.48
COC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666438	1	41	-1.0	-50.39	329.09	4.87	-45.52
CC12CCC(CNC(=O)CCCC3=N[N-]N=N3)(CC1)OC2	REAL250004666439	0	43	-1.0	-46.45	332.66	3.11	-43.34
CC12CCC(CNC(=O)CCCC3=NN=N[N-]3)(CC1)OC2	REAL250004666439	1	43	-1.0	-46.46	332.72	3.12	-43.34
COC(=O)C[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666440	0	41	-1.0	-50.33	329.02	4.87	-45.46
COC(=O)C[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666440	1	41	-1.0	-50.37	329.08	4.88	-45.49
COC(=O)C[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666441	0	41	-1.0	-50.32	329.05	4.87	-45.45
COC(=O)C[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666441	1	41	-1.0	-50.35	329.11	4.89	-45.46
CNS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666442	0	35	-1.0	-54.37	313.51	-4.79	-59.16
CNS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666442	1	35	-1.0	-54.40	313.57	-4.78	-59.18
CC1=NOC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL250004666443	0	38	-1.0	-53.58	319.80	4.61	-48.97
CC1=NOC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL250004666443	1	38	-1.0	-53.60	319.85	4.63	-48.97
O=C(CCCC1=N[N-]N=N1)N1CCC12CCCCC2	REAL250004666444	0	39	-1.0	-47.92	299.57	4.89	-43.03
O=C(CCCC1=NN=N[N-]1)N1CCC12CCCCC2	REAL250004666444	1	39	-1.0	-47.96	299.63	4.91	-43.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC12CCCCC2	REAL250004666445	0	39	-1.0	-37.12	308.25	4.87	-32.25
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC12CCCCC2	REAL250004666445	1	39	-1.0	-37.09	308.32	4.88	-32.21
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL250004666447	0	33	-1.0	-37.08	282.17	0.27	-36.81
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL250004666447	1	33	-1.0	-37.01	282.24	0.27	-36.74
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC2=C1CCOC2	REAL250004666448	0	37	-1.0	-49.30	303.66	3.62	-45.68
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC2=C1CCOC2	REAL250004666448	1	37	-1.0	-49.33	303.72	3.64	-45.69
COC(=O)[C@@H]1CC12CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004666449	0	39	-1.0	-48.70	331.98	3.93	-44.77
COC(=O)[C@@H]1CC12CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004666449	1	39	-1.0	-48.72	332.03	3.95	-44.77
O=C(CCCC1=N[N-]N=N1)NCC1CC12CCC(O)CC2	REAL250004666450	0	43	-1.0	-48.59	341.58	1.60	-46.99
O=C(CCCC1=NN=N[N-]1)NCC1CC12CCC(O)CC2	REAL250004666450	1	43	-1.0	-48.63	341.64	1.61	-47.02
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004666451	0	41	-1.0	-45.94	321.08	2.01	-43.93
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004666451	1	41	-1.0	-45.96	321.14	2.02	-43.94
CCC1=CNN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666452	0	35	-1.0	-49.13	301.13	1.23	-47.90
CCC1=CNN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666452	1	35	-1.0	-49.14	301.19	1.25	-47.89
CCC1=CNN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666453	0	35	-1.0	-38.54	311.73	1.02	-37.52
CCC1=CNN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666453	1	35	-1.0	-38.53	311.79	1.03	-37.50
CCN1C=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666454	0	35	-1.0	-48.01	299.66	3.68	-44.33
CCN1C=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666454	1	35	-1.0	-48.00	299.72	3.70	-44.30
CCN1C=NC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666455	0	35	-1.0	-38.35	310.26	3.48	-34.87
CCN1C=NC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666455	1	35	-1.0	-38.32	310.33	3.48	-34.84
CC1CC(CO)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004666456	0	36	-1.0	-48.68	292.37	0.82	-47.86
CC1CC(CO)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004666456	1	36	-1.0	-48.70	292.42	0.83	-47.87
CC1CC(CO)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666457	0	36	-1.0	-39.42	299.61	1.09	-38.33
CC1CC(CO)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666457	1	36	-1.0	-39.42	299.68	1.09	-38.33
C[C@H]1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666458	0	35	-1.0	-52.22	290.11	0.37	-51.85
C[C@H]1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666458	1	35	-1.0	-52.20	290.16	0.38	-51.82
C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666459	0	35	-1.0	-52.03	290.14	0.37	-51.66
C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666459	1	35	-1.0	-52.06	290.19	0.38	-51.68
CC(C)C1=CNN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666460	0	38	-1.0	-48.84	319.97	1.75	-47.09
CC(C)C1=CNN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666460	1	38	-1.0	-48.80	320.02	1.76	-47.04
C#CCOC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004666461	0	30	-1.0	-46.41	280.15	2.05	-44.36
C#CCOC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004666461	1	30	-1.0	-46.44	280.21	2.06	-44.38
C#CCOC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666462	0	30	-1.0	-38.06	290.74	1.83	-36.23
C#CCOC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666462	1	30	-1.0	-38.06	290.81	1.84	-36.22
CC(C1CCCO1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004666463	0	39	-1.0	-45.48	302.91	4.05	-41.43
CC(C1CCCO1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004666463	1	39	-1.0	-45.44	302.97	4.06	-41.38
COCC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666464	0	39	-1.0	-58.09	334.49	-0.24	-58.33
COCC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666464	1	39	-1.0	-58.08	334.55	-0.22	-58.30
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CN=C1Cl	REAL250004666465	0	34	-1.0	-46.96	309.64	2.72	-44.24
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CN=C1Cl	REAL250004666465	1	34	-1.0	-46.94	309.59	2.71	-44.23
C[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004666466	0	38	-1.0	-46.37	296.35	4.41	-41.96
C[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004666466	1	38	-1.0	-46.32	296.41	4.42	-41.90
C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666467	0	38	-1.0	-35.26	306.93	4.22	-31.04
C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666467	1	38	-1.0	-35.21	306.99	4.23	-30.98
C[C@@H](CNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL250004666468	0	34	-1.0	-46.52	293.92	3.00	-43.52
C[C@@H](CNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL250004666468	1	34	-1.0	-46.58	293.98	3.02	-43.56
COCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666469	0	36	-1.0	-53.05	312.99	-1.02	-54.07
COCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666469	1	36	-1.0	-53.02	313.05	-1.00	-54.02
N#CC1(NC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666470	0	34	-1.0	-53.90	306.38	-0.12	-54.02
N#CC1(NC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666470	1	34	-1.0	-53.90	306.43	-0.11	-54.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN=C1OC(F)F	REAL250004666471	0	32	-1.0	-49.35	290.59	0.92	-48.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=CN=C1OC(F)F	REAL250004666471	1	32	-1.0	-49.39	290.53	0.90	-48.49
O=C(NC1C=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666472	0	36	-1.0	-35.04	290.73	4.47	-30.57
O=C(NC1C=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666472	1	36	-1.0	-35.03	290.79	4.48	-30.55
C[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666473	0	32	-1.0	-36.45	267.94	3.81	-32.64
C[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666473	1	32	-1.0	-36.44	268.01	3.82	-32.62
CO[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1F	REAL250004666474	0	36	-1.0	-48.31	292.69	2.59	-45.72
CO[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1F	REAL250004666474	1	36	-1.0	-48.31	292.75	2.61	-45.70
C[C@@]12CSC[C@]1(C)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004666475	0	40	-1.0	-48.48	317.99	5.00	-43.48
C[C@@]12CSC[C@]1(C)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004666475	1	40	-1.0	-48.50	318.04	5.02	-43.48
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666476	0	44	-1.0	-45.80	332.94	5.01	-40.79
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666476	1	44	-1.0	-45.81	333.00	5.03	-40.78
COC1=CC=C(F)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666477	0	36	-1.0	-47.96	313.92	2.89	-45.07
COC1=CC=C(F)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666477	1	36	-1.0	-48.00	313.97	2.90	-45.10
COC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004666478	0	42	-1.0	-46.33	335.83	2.62	-43.71
COC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004666478	1	42	-1.0	-46.33	335.89	2.64	-43.69
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CO1	REAL250004666479	0	32	-1.0	-36.64	292.33	2.06	-34.58
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CO1	REAL250004666479	1	32	-1.0	-36.66	292.39	2.06	-34.60
CC(C)CN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004666480	0	41	-1.0	-48.12	340.34	3.74	-44.38
CC(C)CN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004666480	1	41	-1.0	-48.10	340.29	3.72	-44.38
CC1(C)CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666481	0	47	-1.0	-45.67	342.09	5.18	-40.49
CC1(C)CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666481	1	47	-1.0	-45.68	342.15	5.19	-40.49
O=C(CCCC1=N[N-]N=N1)N1CC(COC(F)(F)F)C1	REAL250004666482	0	33	-1.0	-48.03	299.82	2.33	-45.70
O=C(CCCC1=NN=N[N-]1)N1CC(COC(F)(F)F)C1	REAL250004666482	1	33	-1.0	-48.01	299.87	2.34	-45.67
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2CCOC2)C1	REAL250004666483	0	41	-1.0	-47.83	320.95	2.12	-45.71
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2CCOC2)C1	REAL250004666483	1	41	-1.0	-47.85	321.01	2.14	-45.71
CC12COC(CNC(=O)CCCC3=N[N-]N=N3)(C1)CCC2	REAL250004666484	0	43	-1.0	-46.21	331.23	3.01	-43.20
CC12COC(CNC(=O)CCCC3=NN=N[N-]3)(C1)CCC2	REAL250004666484	1	43	-1.0	-46.24	331.29	3.03	-43.21
O=C(CCCC1=N[N-]N=N1)N1CC(O)CC2(CC2)C1	REAL250004666485	0	37	-1.0	-47.19	299.57	1.55	-45.64
O=C(CCCC1=NN=N[N-]1)N1CC(O)CC2(CC2)C1	REAL250004666485	1	37	-1.0	-47.22	299.63	1.56	-45.66
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666486	0	44	-1.0	-46.57	335.17	4.81	-41.76
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666486	1	44	-1.0	-46.57	335.23	4.82	-41.75
C=C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666487	0	30	-1.0	-35.13	270.20	2.21	-32.92
C=C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666487	1	30	-1.0	-35.08	270.27	2.22	-32.86
COC1(CO)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666488	0	34	-1.0	-47.38	289.31	-1.25	-48.63
COC1(CO)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666488	1	34	-1.0	-47.36	289.37	-1.23	-48.59
COC1(CO)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666489	0	34	-1.0	-38.52	297.29	-1.31	-39.83
COC1(CO)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666489	1	34	-1.0	-38.50	297.36	-1.30	-39.80
O=C(CCCC1=N[N-]N=N1)NCC1CC(CO)CO1	REAL250004666490	0	37	-1.0	-48.08	307.74	-1.90	-49.98
O=C(CCCC1=NN=N[N-]1)NCC1CC(CO)CO1	REAL250004666490	1	37	-1.0	-48.11	307.80	-1.89	-50.00
O=C(CCCC1=N[N-]N=N1)N1CCNS(=O)(=O)CC1	REAL250004666491	0	34	-1.0	-60.90	280.46	-0.97	-61.87
O=C(CCCC1=NN=N[N-]1)N1CCNS(=O)(=O)CC1	REAL250004666491	1	34	-1.0	-60.92	280.52	-0.95	-61.87
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CC1)C2(F)F	REAL250004666492	0	36	-1.0	-49.08	292.33	5.05	-44.03
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CC1)C2(F)F	REAL250004666492	1	36	-1.0	-49.11	292.39	5.06	-44.05
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NN1CC(F)F	REAL250004666493	0	35	-1.0	-47.86	313.70	2.22	-45.64
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NN1CC(F)F	REAL250004666493	1	35	-1.0	-47.82	313.76	2.23	-45.59
CC(C)CC1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004666494	0	47	-1.0	-46.45	353.41	6.29	-40.16
CC(C)CC1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004666494	1	47	-1.0	-46.45	353.47	6.30	-40.15
CCCC(C(=O)OC)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004666495	0	40	-1.0	-47.46	328.77	5.13	-42.33
CCCC(C(=O)OC)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004666495	1	40	-1.0	-47.42	328.82	5.14	-42.28
CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666496	0	37	-1.0	-35.42	314.02	3.59	-31.83
CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666496	1	37	-1.0	-35.39	314.08	3.60	-31.79
CC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL250004666497	0	37	-1.0	-47.76	313.26	3.15	-44.61
CC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL250004666497	1	37	-1.0	-47.77	313.31	3.17	-44.60
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C2CCC2)=N1	REAL250004666498	0	39	-1.0	-47.96	323.39	3.80	-44.16
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C2CCC2)=N1	REAL250004666498	1	39	-1.0	-48.01	323.45	3.82	-44.19
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N(C)C	REAL250004666499	0	41	-1.0	-46.24	322.88	2.40	-43.84
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N(C)C	REAL250004666499	1	41	-1.0	-46.25	322.93	2.42	-43.83
O=C(NCC1=CN=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666500	0	30	-1.0	-37.23	279.31	1.27	-35.96
O=C(NCC1=CN=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666500	1	30	-1.0	-37.16	279.37	1.28	-35.88
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004666501	0	33	-1.0	-49.94	283.80	2.14	-47.80
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004666501	1	33	-1.0	-49.94	283.85	2.15	-47.79
CCC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666502	0	35	-1.0	-36.15	296.47	-0.78	-36.93
CCC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666502	1	35	-1.0	-36.12	296.53	-0.77	-36.89
CC1C2=CC=CN=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666503	0	38	-1.0	-48.19	301.84	4.45	-43.74
CC1C2=CC=CN=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666503	1	38	-1.0	-48.23	301.90	4.46	-43.77
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=CC=C2CC1	REAL250004666505	0	39	-1.0	-47.84	308.93	6.55	-41.29
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=CC=C2CC1	REAL250004666505	1	39	-1.0	-47.84	308.98	6.56	-41.28
CC1CCC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004666506	0	45	-1.0	-46.82	326.48	6.26	-40.56
CC1CCC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004666506	1	45	-1.0	-46.82	326.54	6.28	-40.54
O=C(CCCC1=N[N-]N=N1)N1CCCCCCCCC1	REAL250004666507	0	44	-1.0	-47.48	320.84	6.15	-41.33
O=C(CCCC1=NN=N[N-]1)N1CCCCCCCCC1	REAL250004666507	1	44	-1.0	-47.53	320.90	6.16	-41.37
CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OCC	REAL250004666508	0	41	-1.0	-51.26	350.24	2.56	-48.70
CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OCC	REAL250004666508	1	41	-1.0	-51.31	350.30	2.57	-48.74
CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL250004666509	0	36	-1.0	-54.31	307.22	5.11	-49.20
CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL250004666509	1	36	-1.0	-54.31	307.27	5.13	-49.18
C[C@@H]1CN(CCNC(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL250004666510	0	44	-1.0	-47.91	349.90	0.43	-47.48
C[C@@H]1CN(CCNC(=O)CCCC2=NN=N[N-]2)C[C@H](C)O1	REAL250004666510	1	44	-1.0	-47.94	349.96	0.45	-47.49
CCOC(=O)C(F)(F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004666511	0	34	-1.0	-46.59	308.60	2.38	-44.21
CCOC(=O)C(F)(F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004666511	1	34	-1.0	-46.59	308.66	2.39	-44.20
COC(=O)C(CC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004666512	0	43	-1.0	-50.05	345.13	4.91	-45.14
COC(=O)C(CC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004666512	1	43	-1.0	-50.04	345.18	4.92	-45.12
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=NC=C1	REAL250004666513	0	37	-1.0	-48.73	316.96	3.26	-45.47
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=NC=C1	REAL250004666513	1	37	-1.0	-48.73	317.01	3.28	-45.45
CO[C@@H]1COCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004666514	0	37	-1.0	-47.63	304.91	-0.19	-47.82
CO[C@@H]1COCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004666514	1	37	-1.0	-47.68	304.97	-0.18	-47.86
CC1=C(C)SC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666515	0	33	-1.0	-48.60	296.83	2.40	-46.20
CC1=C(C)SC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666515	1	33	-1.0	-48.60	296.89	2.42	-46.18
O=C(CCCC1=N[N-]N=N1)NNC1=CC(=O)NC(=O)N1	REAL250004666516	0	31	-1.0	-50.58	279.03	-1.93	-52.51
O=C(CCCC1=NN=N[N-]1)NNC1=CC(=O)NC(=O)N1	REAL250004666516	1	31	-1.0	-50.55	279.09	-1.91	-52.46
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(CC2CC2)C=C1	REAL250004666517	0	42	-1.0	-45.93	353.58	6.48	-39.45
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(CC2CC2)C=C1	REAL250004666517	1	42	-1.0	-45.95	353.63	6.50	-39.45
C[C@H]1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666518	0	33	-1.0	-45.12	271.26	4.08	-41.04
C[C@H]1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666518	1	33	-1.0	-45.14	271.32	4.09	-41.05
C[C@H]1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666519	0	33	-1.0	-33.83	279.24	4.30	-29.53
C[C@H]1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666519	1	33	-1.0	-33.80	279.31	4.31	-29.49
CC1NC(=O)OC12CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004666520	0	35	-1.0	-58.79	296.67	-0.40	-59.19
CC1NC(=O)OC12CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004666520	1	35	-1.0	-58.81	296.73	-0.38	-59.19
C#C[C@H]1CCC[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666523	0	40	-1.0	-48.03	327.76	4.98	-43.05
C#C[C@H]1CCC[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666523	1	40	-1.0	-48.08	327.82	4.99	-43.09
COC1=CC(F)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666524	0	36	-1.0	-47.19	313.93	2.88	-44.31
COC1=CC(F)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666524	1	36	-1.0	-47.21	313.99	2.89	-44.32
CC(C)(O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666525	0	39	-1.0	-49.03	298.94	3.80	-45.23
CC(C)(O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666525	1	39	-1.0	-49.08	299.00	3.82	-45.26
C#CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666526	0	30	-1.0	-36.51	272.24	4.25	-32.26
C#CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666526	1	30	-1.0	-36.50	272.31	4.29	-32.21
O=C(CCCC1=N[N-]N=N1)NCC1CCC2(CC2(F)F)C1	REAL250004666527	0	39	-1.0	-49.50	329.52	4.63	-44.87
O=C(CCCC1=NN=N[N-]1)NCC1CCC2(CC2(F)F)C1	REAL250004666527	1	39	-1.0	-49.55	329.57	4.64	-44.91
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC(C1)O2	REAL250004666528	0	37	-1.0	-46.56	290.88	1.66	-44.90
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C1)O2	REAL250004666528	1	37	-1.0	-46.60	290.93	1.67	-44.93
O=C(CCCC1=N[N-]N=N1)NCC1=NC2=CC=CNC2=C1	REAL250004666529	0	35	-1.0	-59.54	303.93	1.85	-57.69
O=C(CCCC1=NN=N[N-]1)NCC1=NC2=CC=CNC2=C1	REAL250004666529	1	35	-1.0	-59.51	303.98	1.87	-57.64
N#CC1=CC=CC(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666530	0	31	-1.0	-49.10	288.18	2.56	-46.54
N#CC1=CC=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666530	1	31	-1.0	-49.13	288.23	2.58	-46.55
CN(C)C(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666531	0	40	-1.0	-56.08	333.64	0.46	-55.62
CN(C)C(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666531	1	40	-1.0	-56.09	333.69	0.48	-55.61
O=C(CCCC1=N[N-]N=N1)NC1CCC2C(CC1)C2(F)F	REAL250004666532	0	39	-1.0	-47.54	310.45	5.07	-42.47
O=C(CCCC1=NN=N[N-]1)NC1CCC2C(CC1)C2(F)F	REAL250004666532	1	39	-1.0	-47.53	310.51	5.08	-42.45
CN(CC1=CC=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL250004666533	0	35	-1.0	-48.41	290.39	3.12	-45.29
CN(CC1=CC=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL250004666533	1	35	-1.0	-48.43	290.44	3.13	-45.30
CN(CC1=CC=NN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666534	0	35	-1.0	-38.31	298.39	3.52	-34.79
CN(CC1=CC=NN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666534	1	35	-1.0	-38.30	298.46	3.53	-34.77
COC1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004666535	0	40	-1.0	-48.52	328.36	2.72	-45.80
COC1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004666535	1	40	-1.0	-48.56	328.42	2.74	-45.82
COC1(OC)CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666536	0	43	-1.0	-47.79	342.23	2.05	-45.74
COC1(OC)CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666536	1	43	-1.0	-47.81	342.29	2.06	-45.75
O=C(CCCC1=N[N-]N=N1)N1CC2CC1C(F)(F)C2	REAL250004666537	0	33	-1.0	-53.07	279.24	4.61	-48.46
O=C(CCCC1=NN=N[N-]1)N1CC2CC1C(F)(F)C2	REAL250004666537	1	33	-1.0	-53.07	279.30	4.63	-48.44
COC1CC2(CC(CNC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004666538	0	43	-1.0	-47.61	349.70	3.36	-44.25
COC1CC2(CC(CNC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004666538	1	43	-1.0	-47.67	349.76	3.37	-44.30
CN(CC12CCC(CC1)C2)C(=O)CCCC1=N[N-]N=N1	REAL250004666539	0	42	-1.0	-47.83	319.67	6.07	-41.76
CN(CC12CCC(CC1)C2)C(=O)CCCC1=NN=N[N-]1	REAL250004666539	1	42	-1.0	-47.83	319.73	6.09	-41.74
CNC(=O)[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666540	0	36	-1.0	-58.46	298.81	2.04	-56.42
CNC(=O)[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666540	1	36	-1.0	-58.49	298.86	2.05	-56.44
CC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=C1C#N	REAL250004666541	0	39	-1.0	-50.95	340.59	5.14	-45.81
CC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=C1C#N	REAL250004666541	1	39	-1.0	-50.96	340.65	5.16	-45.80
CC(C)(C)OCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666542	0	44	-1.0	-48.40	352.00	3.18	-45.22
CC(C)(C)OCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666542	1	44	-1.0	-48.37	352.06	3.19	-45.18
CC1=COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004666543	0	32	-1.0	-36.39	292.33	2.08	-34.31
CC1=COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004666543	1	32	-1.0	-36.37	292.40	2.08	-34.29
NC(=O)NC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666544	0	32	-1.0	-50.35	280.24	-2.31	-52.66
NC(=O)NC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666544	1	32	-1.0	-50.38	280.29	-2.29	-52.67
NC(=O)NC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666545	0	32	-1.0	-41.23	288.24	-2.45	-43.68
NC(=O)NC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666545	1	32	-1.0	-41.26	288.31	-2.44	-43.70
COC1CC2(C1)CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004666546	0	37	-1.0	-48.31	309.30	2.89	-45.42
COC1CC2(C1)CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004666546	1	37	-1.0	-48.35	309.36	2.90	-45.45
CON=C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666547	0	30	-1.0	-38.31	278.05	1.27	-37.04
CON=C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666547	1	30	-1.0	-38.29	278.12	1.28	-37.01
O=C(CCCC1=N[N-]N=N1)N1CCC12CC(C(F)F)C2	REAL250004666548	0	36	-1.0	-51.20	306.08	4.65	-46.55
O=C(CCCC1=NN=N[N-]1)N1CCC12CC(C(F)F)C2	REAL250004666548	1	36	-1.0	-51.21	306.14	4.66	-46.55
CC1=CON=C1C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666549	0	35	-1.0	-50.07	304.02	3.69	-46.38
CC1=CON=C1C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666549	1	35	-1.0	-50.06	304.08	3.70	-46.36
O=C(CCCC1=N[N-]N=N1)N1CC(CC(F)F)(C2CC2)C1	REAL250004666550	0	39	-1.0	-50.03	317.12	5.16	-44.87
O=C(CCCC1=NN=N[N-]1)N1CC(CC(F)F)(C2CC2)C1	REAL250004666550	1	39	-1.0	-50.03	317.18	5.17	-44.86
CC1(C)CC(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)=NO1	REAL250004666551	0	40	-1.0	-53.58	333.73	3.86	-49.72
CC1(C)CC(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)=NO1	REAL250004666551	1	40	-1.0	-53.62	333.79	3.87	-49.75
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(C2CC2)C=C1	REAL250004666552	0	42	-1.0	-48.41	349.81	6.35	-42.06
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(C2CC2)C=C1	REAL250004666552	1	42	-1.0	-48.42	349.86	6.37	-42.05
O=C(NCCCCCF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666553	0	34	-1.0	-36.44	300.85	2.72	-33.72
O=C(NCCCCCF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666553	1	34	-1.0	-36.39	300.92	2.73	-33.66
CCOCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666554	0	39	-1.0	-52.93	334.85	-0.06	-52.99
CCOCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666554	1	39	-1.0	-52.93	334.91	-0.04	-52.97
CC(CNC(=O)CCCC1=N[N-]N=N1)OC(C)(C)C	REAL250004666555	0	41	-1.0	-46.70	323.76	2.34	-44.36
CC(CNC(=O)CCCC1=NN=N[N-]1)OC(C)(C)C	REAL250004666555	1	41	-1.0	-46.73	323.82	2.36	-44.37
O=C(CCCC1=N[N-]N=N1)NCCCCCC1CC1	REAL250004666556	0	41	-1.0	-46.53	336.78	5.13	-41.40
O=C(CCCC1=NN=N[N-]1)NCCCCCC1CC1	REAL250004666556	1	41	-1.0	-46.56	336.84	5.15	-41.41
CC12CC(CCNC(=O)CCCC3=N[N-]N=N3)(C1)CO2	REAL250004666557	0	40	-1.0	-50.04	325.42	2.37	-47.67
CC12CC(CCNC(=O)CCCC3=NN=N[N-]3)(C1)CO2	REAL250004666557	1	40	-1.0	-50.04	325.48	2.39	-47.65
CC(C)CN1N=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666558	0	41	-1.0	-45.56	340.40	3.49	-42.07
CC(C)CN1N=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666558	1	41	-1.0	-45.57	340.45	3.51	-42.06
CC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004666559	0	30	-1.0	-55.64	282.13	2.53	-53.11
CC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004666559	1	30	-1.0	-55.68	282.19	2.54	-53.14
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=NC=CN21	REAL250004666560	0	39	-1.0	-50.94	315.41	4.13	-46.81
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=NC=CN21	REAL250004666560	1	39	-1.0	-50.99	315.47	4.14	-46.85
C#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004666561	0	34	-1.0	-47.84	308.73	4.85	-42.99
C#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004666561	1	34	-1.0	-47.85	308.79	4.87	-42.98
CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004666562	0	38	-1.0	-47.27	327.66	4.94	-42.33
CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004666562	1	38	-1.0	-47.30	327.71	4.96	-42.34
CC(F)(F)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666563	0	38	-1.0	-50.12	306.01	4.94	-45.18
CC(F)(F)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666563	1	38	-1.0	-50.10	306.07	4.95	-45.15
O=C(CCCC1=N[N-]N=N1)N1CCC(CCCF)CC1	REAL250004666564	0	41	-1.0	-47.88	323.98	5.78	-42.10
O=C(CCCC1=NN=N[N-]1)N1CCC(CCCF)CC1	REAL250004666564	1	41	-1.0	-47.86	324.04	5.80	-42.06
O=C(CCCC1=N[N-]N=N1)N1CC(C2CCSCC2)C1	REAL250004666565	0	40	-1.0	-49.06	330.22	5.54	-43.52
O=C(CCCC1=NN=N[N-]1)N1CC(C2CCSCC2)C1	REAL250004666565	1	40	-1.0	-49.07	330.28	5.55	-43.52
COC1(C(N)=O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666566	0	34	-1.0	-50.82	291.80	-2.33	-53.15
COC1(C(N)=O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666566	1	34	-1.0	-50.82	291.86	-2.31	-53.13
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NOCC2)C1	REAL250004666567	0	34	-1.0	-53.40	292.16	2.38	-51.02
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NOCC2)C1	REAL250004666567	1	34	-1.0	-53.43	292.22	2.40	-51.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=NOCC2)C1	REAL250004666568	0	34	-1.0	-40.23	300.04	2.43	-37.80
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=NOCC2)C1	REAL250004666568	1	34	-1.0	-40.26	300.11	2.44	-37.82
C[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004666569	0	39	-1.0	-47.10	315.53	4.12	-42.98
C[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004666569	1	39	-1.0	-47.09	315.58	4.13	-42.96
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004666570	0	38	-1.0	-46.84	323.48	0.93	-45.91
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004666570	1	38	-1.0	-46.87	323.53	0.95	-45.92
CC1=NN(C)C(NNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666571	0	33	-1.0	-47.72	290.73	3.61	-44.11
CC1=NN(C)C(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666571	1	33	-1.0	-47.69	290.78	3.62	-44.07
COCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004666572	0	38	-1.0	-47.08	325.93	1.83	-45.25
COCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004666572	1	38	-1.0	-47.08	325.99	1.84	-45.24
O=C(CCCC1=N[N-]N=N1)NCC1(CC2CC2)CCCC1	REAL250004666573	0	45	-1.0	-45.78	346.53	6.11	-39.67
O=C(CCCC1=NN=N[N-]1)NCC1(CC2CC2)CCCC1	REAL250004666573	1	45	-1.0	-45.75	346.58	6.12	-39.63
CCC(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666574	0	35	-1.0	-50.23	300.27	-0.38	-50.61
CCC(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666574	1	35	-1.0	-50.25	300.33	-0.36	-50.61
CCC(=O)NCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666575	0	35	-1.0	-40.89	310.87	-0.58	-41.47
CCC(=O)NCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666575	1	35	-1.0	-40.86	310.93	-0.57	-41.43
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@@H]1O	REAL250004666576	0	36	-1.0	-49.84	293.79	0.03	-49.81
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@@H]1O	REAL250004666576	1	36	-1.0	-49.85	293.85	0.04	-49.81
CC1=CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL250004666577	0	36	-1.0	-48.44	297.91	4.21	-44.23
CC1=CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL250004666577	1	36	-1.0	-48.44	297.97	4.23	-44.21
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCC[C@H](CF)C1	REAL250004666578	0	41	-1.0	-46.81	328.10	4.62	-42.19
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCC[C@H](CF)C1	REAL250004666578	1	41	-1.0	-46.82	328.16	4.64	-42.18
CNC(=O)NCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666579	0	37	-1.0	-56.00	316.33	-1.77	-57.77
CNC(=O)NCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666579	1	37	-1.0	-56.00	316.39	-1.75	-57.75
C=C1CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666580	0	30	-1.0	-35.47	275.01	2.39	-33.08
C=C1CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666580	1	30	-1.0	-35.41	275.08	2.40	-33.01
CCC1=NC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004666581	0	34	-1.0	-46.40	307.27	2.18	-44.22
CCC1=NC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004666581	1	34	-1.0	-46.41	307.33	2.20	-44.21
O=C(CCCC1=N[N-]N=N1)NCC1CC2(C1)CC(F)(F)C2	REAL250004666582	0	39	-1.0	-48.12	329.52	4.57	-43.55
O=C(CCCC1=NN=N[N-]1)NCC1CC2(C1)CC(F)(F)C2	REAL250004666582	1	39	-1.0	-48.11	329.58	4.59	-43.52
CCCC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004666583	0	40	-1.0	-46.14	312.28	3.94	-42.20
CCCC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004666583	1	40	-1.0	-46.12	312.34	3.95	-42.17
CCCC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666584	0	40	-1.0	-34.70	322.87	3.73	-30.97
CCCC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666584	1	40	-1.0	-34.69	322.94	3.74	-30.95
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C=NNC2=O)C1	REAL250004666585	0	35	-1.0	-55.92	293.95	1.33	-54.59
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C=NNC2=O)C1	REAL250004666585	1	35	-1.0	-55.89	294.00	1.35	-54.54
O=C(CCCC1=N[N-]N=N1)NCC1CCOCC1	REAL250004666586	0	36	-1.0	-47.72	292.28	1.47	-46.25
O=C(CCCC1=NN=N[N-]1)NCC1CCOCC1	REAL250004666586	1	36	-1.0	-47.73	292.33	1.49	-46.24
O=C(NCC1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666587	0	36	-1.0	-35.87	302.86	1.26	-34.61
O=C(NCC1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666587	1	36	-1.0	-35.85	302.94	1.27	-34.58
CC1=NC(C)=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL250004666588	0	39	-1.0	-48.47	325.58	1.40	-47.07
CC1=NC(C)=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL250004666588	1	39	-1.0	-48.46	325.64	1.41	-47.05
O=C(NCC1C2CCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666589	0	33	-1.0	-34.89	288.59	3.20	-31.69
O=C(NCC1C2CCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666589	1	33	-1.0	-34.86	288.65	3.21	-31.65
COC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004666590	0	41	-1.0	-50.05	328.27	4.72	-45.33
COC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004666590	1	41	-1.0	-50.08	328.33	4.73	-45.35
COC(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004666591	0	38	-1.0	-46.73	307.71	1.76	-44.97
COC(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004666591	1	38	-1.0	-46.72	307.76	1.78	-44.94
COC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL250004666592	0	38	-1.0	-35.60	318.26	1.52	-34.08
COC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL250004666592	1	38	-1.0	-35.59	318.33	1.52	-34.07
COC1=C(F)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL250004666593	0	33	-1.0	-45.01	298.38	2.94	-42.07
COC1=C(F)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL250004666593	1	33	-1.0	-45.06	298.44	2.96	-42.10
CCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL250004666595	0	47	-1.0	-46.27	330.80	5.67	-40.60
CCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL250004666595	1	47	-1.0	-46.30	330.86	5.68	-40.62
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CS1	REAL250004666596	0	29	-1.0	-45.01	286.19	3.08	-41.93
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CS1	REAL250004666596	1	29	-1.0	-45.02	286.24	3.10	-41.92
NC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666597	0	36	-1.0	-55.82	292.49	0.27	-55.55
NC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666597	1	36	-1.0	-55.87	292.54	0.29	-55.58
O=C(CCCC1=N[N-]N=N1)NC1COC2(CC2)C1	REAL250004666598	0	34	-1.0	-48.68	286.73	1.50	-47.18
O=C(CCCC1=NN=N[N-]1)NC1COC2(CC2)C1	REAL250004666598	1	34	-1.0	-48.68	286.79	1.51	-47.17
O=C(NC1COC2(CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666599	0	34	-1.0	-36.03	297.33	1.29	-34.74
O=C(NC1COC2(CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666599	1	34	-1.0	-36.01	297.39	1.29	-34.72
CC1=NOC(C)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666600	0	36	-1.0	-50.17	303.17	1.59	-48.58
CC1=NOC(C)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666600	1	36	-1.0	-50.18	303.23	1.61	-48.57
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]2CC[C@@]1(CO)C2	REAL250004666601	0	40	-1.0	-47.42	312.56	1.36	-46.06
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]2CC[C@@]1(CO)C2	REAL250004666601	1	40	-1.0	-47.44	312.62	1.37	-46.07
O=C(CCCC1=N[N-]N=N1)NC1=CNN=C1C1=CN=CC=N1	REAL250004666602	0	34	-1.0	-48.16	300.54	0.18	-47.98
O=C(CCCC1=NN=N[N-]1)NC1=CNN=C1C1=CN=CC=N1	REAL250004666602	1	34	-1.0	-48.15	300.59	0.20	-47.95
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(CO)CC1	REAL250004666603	0	36	-1.0	-48.17	292.70	0.96	-47.21
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(CO)CC1	REAL250004666603	1	36	-1.0	-48.19	292.76	0.98	-47.21
CC(F)(F)C1(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666604	0	38	-1.0	-51.28	317.78	3.91	-47.37
CC(F)(F)C1(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666604	1	38	-1.0	-51.30	317.84	3.92	-47.38
CCC(O)CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004666605	0	39	-1.0	-49.80	314.23	2.39	-47.41
CCC(O)CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004666605	1	39	-1.0	-49.81	314.29	2.40	-47.41
O=C(CCCC1=N[N-]N=N1)NCC1C=CCCCC1	REAL250004666606	0	39	-1.0	-46.54	298.91	3.78	-42.76
O=C(CCCC1=NN=N[N-]1)NCC1C=CCCCC1	REAL250004666606	1	39	-1.0	-46.48	298.97	3.79	-42.69
O=C(NCC1C=CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666607	0	39	-1.0	-34.89	309.50	3.56	-31.33
O=C(NCC1C=CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666607	1	39	-1.0	-34.80	309.57	3.58	-31.22
CCCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666608	0	37	-1.0	-35.42	314.02	3.59	-31.83
CCCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666608	1	37	-1.0	-35.39	314.08	3.60	-31.79
CCOC(=O)C1=CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666609	0	39	-1.0	-47.54	325.48	5.05	-42.49
CCOC(=O)C1=CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666609	1	39	-1.0	-47.56	325.54	5.07	-42.49
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1CC[C@@H](O)CC1	REAL250004666610	0	39	-1.0	-48.00	304.09	1.76	-46.24
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1CC[C@@H](O)CC1	REAL250004666610	1	39	-1.0	-48.02	304.15	1.78	-46.24
CC1CCC(CCNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004666611	0	39	-1.0	-49.84	318.34	2.33	-47.51
CC1CCC(CCNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004666611	1	39	-1.0	-49.82	318.40	2.34	-47.48
NC(=O)C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2	REAL250004666612	0	38	-1.0	-52.15	322.65	-2.24	-54.39
NC(=O)C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2	REAL250004666612	1	38	-1.0	-52.18	322.71	-2.23	-54.41
CO[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666613	0	36	-1.0	-48.07	289.29	2.62	-45.45
CO[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666613	1	36	-1.0	-48.03	289.35	2.63	-45.40
CO[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666614	0	36	-1.0	-34.88	297.35	2.87	-32.01
CO[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666614	1	36	-1.0	-34.84	297.41	2.88	-31.96
COC(=O)C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666615	0	36	-1.0	-49.84	303.25	4.15	-45.69
COC(=O)C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666615	1	36	-1.0	-49.87	303.31	4.17	-45.70
CSCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004666616	0	41	-1.0	-47.83	329.82	4.45	-43.38
CSCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004666616	1	41	-1.0	-47.83	329.88	4.46	-43.37
O=C(CCCC1=N[N-]N=N1)NCCC12CCC(CC1)C2	REAL250004666617	0	42	-1.0	-46.87	324.86	4.65	-42.22
O=C(CCCC1=NN=N[N-]1)NCCC12CCC(CC1)C2	REAL250004666617	1	42	-1.0	-46.88	324.92	4.66	-42.22
CC12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)CO2	REAL250004666618	0	37	-1.0	-46.81	304.28	1.76	-45.05
CC12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)CO2	REAL250004666618	1	37	-1.0	-46.80	304.34	1.78	-45.02
CCC(O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666619	0	35	-1.0	-38.02	296.21	1.35	-36.67
CCC(O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666619	1	35	-1.0	-38.03	296.28	1.36	-36.67
CC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004666620	0	36	-1.0	-46.71	290.01	2.77	-43.94
CC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004666620	1	36	-1.0	-46.70	290.06	2.79	-43.91
CC[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL250004666621	0	36	-1.0	-34.63	297.61	3.04	-31.59
CC[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL250004666621	1	36	-1.0	-34.64	297.68	3.05	-31.59
CO[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666622	0	36	-1.0	-48.06	289.28	2.62	-45.44
CO[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666622	1	36	-1.0	-48.05	289.33	2.63	-45.42
CO[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666623	0	36	-1.0	-35.07	297.81	2.83	-32.24
CO[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666623	1	36	-1.0	-35.10	297.87	2.84	-32.26
CC(C)(C)C1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666624	0	44	-1.0	-46.46	340.19	4.72	-41.74
CC(C)(C)C1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666624	1	44	-1.0	-46.47	340.25	4.73	-41.74
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)OC2	REAL250004666625	0	34	-1.0	-46.76	282.40	1.14	-45.62
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)OC2	REAL250004666625	1	34	-1.0	-46.78	282.46	1.15	-45.63
O=C(NCC12CC(C1)OC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666626	0	34	-1.0	-36.61	293.07	0.94	-35.67
O=C(NCC12CC(C1)OC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666626	1	34	-1.0	-36.59	293.14	0.95	-35.64
O=C(CCCC1=N[N-]N=N1)NCC12CCCC1C2(F)F	REAL250004666627	0	36	-1.0	-47.50	303.68	4.07	-43.43
O=C(CCCC1=NN=N[N-]1)NCC12CCCC1C2(F)F	REAL250004666627	1	36	-1.0	-47.54	303.74	4.08	-43.46
COC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004666628	0	37	-1.0	-48.23	302.85	1.19	-47.04
COC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004666628	1	37	-1.0	-48.24	302.91	1.21	-47.03
COC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004666629	0	37	-1.0	-48.23	302.85	1.19	-47.04
COC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004666629	1	37	-1.0	-48.25	302.91	1.21	-47.04
CSCC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666630	0	33	-1.0	-48.17	292.51	3.91	-44.26
CSCC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666630	1	33	-1.0	-48.20	292.57	3.93	-44.27
CSCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666631	0	33	-1.0	-38.48	300.49	3.83	-34.65
CSCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666631	1	33	-1.0	-38.45	300.55	3.84	-34.61
NC(=O)CC1COC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666632	0	40	-1.0	-54.96	331.65	-1.85	-56.81
NC(=O)CC1COC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666632	1	40	-1.0	-55.01	331.71	-1.84	-56.85
CC(NC(=O)CCCC1=N[N-]N=N1)C1COCCO1	REAL250004666633	0	37	-1.0	-46.39	300.69	0.45	-45.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1COCCO1	REAL250004666633	1	37	-1.0	-46.42	300.75	0.47	-45.95
CC1(C)CC(CCNC(=O)CCCC2=N[N-]N=N2)CO1	REAL250004666634	0	42	-1.0	-48.84	337.90	2.78	-46.06
CC1(C)CC(CCNC(=O)CCCC2=NN=N[N-]2)CO1	REAL250004666634	1	42	-1.0	-48.84	337.96	2.79	-46.05
CC(C)CN1C=CC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666635	0	41	-1.0	-49.71	344.81	3.57	-46.14
CC(C)CN1C=CC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666635	1	41	-1.0	-49.74	344.86	3.58	-46.16
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CCF)C1	REAL250004666636	0	32	-1.0	-37.88	283.83	3.53	-34.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CCF)C1	REAL250004666636	1	32	-1.0	-37.88	283.89	3.54	-34.34
CS(=O)(=O)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666637	0	35	-1.0	-58.97	311.42	0.23	-58.74
CS(=O)(=O)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666637	1	35	-1.0	-58.94	311.48	0.24	-58.70
O=C(CCCC1=N[N-]N=N1)N1CC(N2CC(F)C2)C1	REAL250004666638	0	35	-1.0	-49.28	297.74	0.89	-48.39
O=C(CCCC1=NN=N[N-]1)N1CC(N2CC(F)C2)C1	REAL250004666638	1	35	-1.0	-49.31	297.80	0.91	-48.40
O=C(CCCC1=NN=N[N-]1)N1CC(OC2=CC=CC=N2)C1	REAL250004666639	0	36	-1.0	-49.18	313.28	2.21	-46.97
O=C(CCCC1=N[N-]N=N1)N1CC(OC2=CC=CC=N2)C1	REAL250004666639	1	36	-1.0	-49.16	313.22	2.19	-46.97
COC(=O)C1(OC)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666640	0	36	-1.0	-52.15	312.74	2.18	-49.97
COC(=O)C1(OC)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666640	1	36	-1.0	-52.18	312.79	2.19	-49.99
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1CC1	REAL250004666641	0	36	-1.0	-47.51	298.72	5.60	-41.91
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1CC1	REAL250004666641	1	36	-1.0	-47.51	298.78	5.61	-41.90
CCC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666642	0	47	-1.0	-45.69	351.28	5.60	-40.09
CCC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666642	1	47	-1.0	-45.69	351.34	5.61	-40.08
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@@H]1C(F)F	REAL250004666643	0	32	-1.0	-51.75	276.77	2.69	-49.06
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@@H]1C(F)F	REAL250004666643	1	32	-1.0	-51.79	276.81	2.70	-49.09
O=C(NC[C@@H]1C[C@@H]1C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666644	0	32	-1.0	-38.70	287.35	2.48	-36.22
O=C(NC[C@@H]1C[C@@H]1C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666644	1	32	-1.0	-38.62	287.41	2.49	-36.13
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(CO)C=C1	REAL250004666645	0	39	-1.0	-50.43	333.40	1.58	-48.85
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(CO)C=C1	REAL250004666645	1	39	-1.0	-50.48	333.45	1.59	-48.89
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2CCC2)=C1	REAL250004666646	0	35	-1.0	-45.50	297.55	4.64	-40.86
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2CCC2)=C1	REAL250004666646	1	35	-1.0	-45.51	297.60	4.65	-40.86
CC(C)C1=CC=C(O)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666647	0	39	-1.0	-47.80	322.70	2.55	-45.25
CC(C)C1=CC=C(O)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666647	1	39	-1.0	-47.85	322.76	2.56	-45.29
O=C(CCCC1=N[N-]N=N1)NC12CC(CO)(C1)OC2	REAL250004666648	0	35	-1.0	-54.89	293.26	-2.51	-57.40
O=C(CCCC1=NN=N[N-]1)NC12CC(CO)(C1)OC2	REAL250004666648	1	35	-1.0	-54.91	293.32	-2.49	-57.40
CC1OC2(CO)CC1(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004666649	0	38	-1.0	-55.28	311.63	-1.90	-57.18
CC1OC2(CO)CC1(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004666649	1	38	-1.0	-55.29	311.69	-1.89	-57.18
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004666650	0	35	-1.0	-50.22	301.04	4.41	-45.81
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004666650	1	35	-1.0	-50.22	301.09	4.42	-45.80
O=C(CCCC1=N[N-]N=N1)NCC12CCC(CO)(CO1)C2	REAL250004666651	0	41	-1.0	-48.03	331.81	-0.95	-48.98
O=C(CCCC1=NN=N[N-]1)NCC12CCC(CO)(CO1)C2	REAL250004666651	1	41	-1.0	-48.04	331.86	-0.94	-48.98
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCC[C@H]1O	REAL250004666652	0	36	-1.0	-49.99	293.33	0.02	-49.97
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCC[C@H]1O	REAL250004666652	1	36	-1.0	-50.03	293.39	0.04	-49.99
O=C(NC[C@H]1CCC[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666653	0	36	-1.0	-37.27	304.71	-0.22	-37.49
O=C(NC[C@H]1CCC[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666653	1	36	-1.0	-37.26	304.78	-0.22	-37.48
O=C(CCCC1=N[N-]N=N1)N1CC2CCC(C1)C2O	REAL250004666654	0	37	-1.0	-48.18	285.86	2.01	-46.17
O=C(CCCC1=NN=N[N-]1)N1CC2CCC(C1)C2O	REAL250004666654	1	37	-1.0	-48.18	285.92	2.03	-46.15
CC(C)(C)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666655	0	45	-1.0	-48.88	335.03	2.84	-46.04
CC(C)(C)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666655	1	45	-1.0	-48.94	335.09	2.86	-46.08
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC(F)(F)[C@H]1O	REAL250004666656	0	33	-1.0	-48.07	285.75	-0.52	-48.59
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC(F)(F)[C@H]1O	REAL250004666656	1	33	-1.0	-48.09	285.81	-0.51	-48.60
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H]2C(=O)OC[C@@]21CO	REAL250004666657	0	37	-1.0	-50.89	303.31	2.19	-48.70
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H]2C(=O)OC[C@@]21CO	REAL250004666657	1	37	-1.0	-50.85	303.37	2.20	-48.65
O=C(CCCC1=N[N-]N=N1)NCC(O)CCC1CC1	REAL250004666658	0	39	-1.0	-46.19	325.52	1.06	-45.13
O=C(CCCC1=NN=N[N-]1)NCC(O)CCC1CC1	REAL250004666658	1	39	-1.0	-46.18	325.57	1.07	-45.11
CC(C)(C)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C(=O)N1	REAL250004666659	0	42	-1.0	-56.12	334.01	1.12	-55.00
CC(C)(C)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C(=O)N1	REAL250004666659	1	42	-1.0	-56.11	334.07	1.13	-54.98
CC1=CC=CC=C1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666660	0	41	-1.0	-47.14	337.45	5.50	-41.64
CC1=CC=CC=C1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666660	1	41	-1.0	-47.18	337.50	5.52	-41.66
O=C(CCCC1=N[N-]N=N1)NCC1(O)CC2CCC(C2)C1	REAL250004666661	0	43	-1.0	-47.07	320.70	2.55	-44.52
O=C(CCCC1=NN=N[N-]1)NCC1(O)CC2CCC(C2)C1	REAL250004666661	1	43	-1.0	-47.14	320.75	2.57	-44.57
CC1NC(=O)OC12CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004666662	0	38	-1.0	-58.32	310.92	0.28	-58.04
CC1NC(=O)OC12CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004666662	1	38	-1.0	-58.34	310.98	0.30	-58.04
CC(C)CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004666663	0	40	-1.0	-47.43	336.35	3.66	-43.77
CC(C)CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004666663	1	40	-1.0	-47.47	336.41	3.68	-43.79
O=C(CCCC1=N[N-]N=N1)N1CC[C@H]2NC(=O)O[C@H]2C1	REAL250004666664	0	35	-1.0	-58.75	286.81	-0.10	-58.85
O=C(CCCC1=NN=N[N-]1)N1CC[C@H]2NC(=O)O[C@H]2C1	REAL250004666664	1	35	-1.0	-58.76	286.86	-0.08	-58.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CC=C1F	REAL250004666665	0	34	-1.0	-49.33	298.62	2.57	-46.76
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CC=C1F	REAL250004666665	1	34	-1.0	-49.30	298.67	2.59	-46.71
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666666	0	37	-1.0	-54.73	313.77	6.01	-48.72
CC1=CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666666	1	37	-1.0	-54.72	313.83	6.02	-48.70
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC=CCC1	REAL250004666667	0	39	-1.0	-45.87	305.55	4.26	-41.61
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC=CCC1	REAL250004666667	1	39	-1.0	-45.86	305.61	4.28	-41.58
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CCC1	REAL250004666668	0	39	-1.0	-34.84	316.03	4.06	-30.78
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CCC1	REAL250004666668	1	39	-1.0	-34.79	316.10	4.06	-30.73
C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666669	0	32	-1.0	-36.46	267.91	3.83	-32.63
C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666669	1	32	-1.0	-36.43	267.97	3.84	-32.59
CC1CC2CCCCC2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666670	0	45	-1.0	-46.41	328.88	6.68	-39.73
CC1CC2CCCCC2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666670	1	45	-1.0	-46.41	328.94	6.69	-39.72
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=NC=CN21	REAL250004666671	0	39	-1.0	-50.94	315.41	4.13	-46.81
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=NC=CN21	REAL250004666671	1	39	-1.0	-50.99	315.47	4.14	-46.85
C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666672	0	32	-1.0	-36.46	267.91	3.83	-32.63
C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666672	1	32	-1.0	-36.43	267.97	3.84	-32.59
O=C(CCCC1=N[N-]N=N1)NC1CCC2CCC1O2	REAL250004666673	0	37	-1.0	-45.98	289.30	1.96	-44.02
O=C(CCCC1=NN=N[N-]1)NC1CCC2CCC1O2	REAL250004666673	1	37	-1.0	-45.98	289.36	1.98	-44.00
O=C(CCCC1=N[N-]N=N1)N1CC2(CCC2)CC(F)(F)C1	REAL250004666674	0	39	-1.0	-47.75	313.02	5.42	-42.33
O=C(CCCC1=NN=N[N-]1)N1CC2(CCC2)CC(F)(F)C1	REAL250004666674	1	39	-1.0	-47.78	313.07	5.43	-42.35
CN(C)C(=O)OCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666675	0	39	-1.0	-53.10	332.68	1.50	-51.60
CN(C)C(=O)OCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666675	1	39	-1.0	-53.11	332.73	1.51	-51.60
CP(C)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666676	0	41	-1.0	-53.84	335.09	3.18	-50.66
CP(C)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666676	1	41	-1.0	-53.87	335.14	3.20	-50.67
COC(=O)C1CC(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004666678	0	35	-1.0	-56.56	296.26	3.85	-52.71
COC(=O)C1CC(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004666678	1	35	-1.0	-56.61	296.32	3.86	-52.75
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C(F)F	REAL250004666679	0	32	-1.0	-47.50	283.40	2.93	-44.57
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C(F)F	REAL250004666679	1	32	-1.0	-47.54	283.46	2.95	-44.59
O=C(NC[C@@H]1C[C@H]1C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666680	0	32	-1.0	-36.41	293.98	2.72	-33.69
O=C(NC[C@@H]1C[C@H]1C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666680	1	32	-1.0	-36.37	294.05	2.73	-33.64
CC1=CC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C=C1	REAL250004666681	0	37	-1.0	-49.90	315.93	4.39	-45.51
CC1=CC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C=C1	REAL250004666681	1	37	-1.0	-49.92	315.98	4.40	-45.52
CC1=CN2C=C(NC(=O)CCCC3=N[N-]N=N3)C=CC2=N1	REAL250004666682	0	35	-1.0	-52.19	304.35	4.52	-47.67
CC1=CN2C=C(NC(=O)CCCC3=NN=N[N-]3)C=CC2=N1	REAL250004666682	1	35	-1.0	-52.19	304.40	4.54	-47.65
CP(C)(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666683	0	41	-1.0	-56.01	334.33	3.12	-52.89
CP(C)(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666683	1	41	-1.0	-56.01	334.39	3.14	-52.87
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCCCC2C1	REAL250004666684	0	40	-1.0	-48.05	314.71	3.45	-44.60
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCCCC2C1	REAL250004666684	1	40	-1.0	-48.08	314.77	3.46	-44.62
O=C(CCCC1=N[N-]N=N1)N1CCC2(C=CCO2)CC1	REAL250004666685	0	38	-1.0	-47.32	303.11	3.64	-43.68
O=C(CCCC1=NN=N[N-]1)N1CCC2(C=CCO2)CC1	REAL250004666685	1	38	-1.0	-47.33	303.17	3.65	-43.68
O=C(CCCC1=N[N-]N=N1)N1CCCC2(C=CCO2)C1	REAL250004666686	0	38	-1.0	-50.96	303.59	3.57	-47.39
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C=CCO2)C1	REAL250004666686	1	38	-1.0	-51.01	303.65	3.58	-47.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2CC2)=C1	REAL250004666687	0	36	-1.0	-49.28	302.48	5.46	-43.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2CC2)=C1	REAL250004666687	1	36	-1.0	-49.28	302.53	5.47	-43.81
CCN(CC1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004666688	0	42	-1.0	-48.44	325.83	4.26	-44.18
CCN(CC1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004666688	1	42	-1.0	-48.44	325.89	4.28	-44.16
COC(=O)C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666689	0	39	-1.0	-53.03	324.76	1.36	-51.67
COC(=O)C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666689	1	39	-1.0	-53.03	324.82	1.38	-51.65
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)CCS1	REAL250004666690	0	39	-1.0	-47.08	321.75	4.32	-42.76
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)CCS1	REAL250004666690	1	39	-1.0	-47.04	321.81	4.33	-42.71
CN1N=CC2=C1CC(NC(=O)CCCC1=N[N-]N=N1)CC2	REAL250004666691	0	39	-1.0	-51.28	321.30	2.92	-48.36
CN1N=CC2=C1CC(NC(=O)CCCC1=NN=N[N-]1)CC2	REAL250004666691	1	39	-1.0	-51.29	321.35	2.94	-48.35
C#CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL250004666692	0	34	-1.0	-48.21	311.89	4.68	-43.53
C#CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL250004666692	1	34	-1.0	-48.23	311.95	4.70	-43.53
COCC1CC2(CCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666693	0	40	-1.0	-54.52	328.58	3.49	-51.03
COCC1CC2(CCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666693	1	40	-1.0	-54.52	328.64	3.50	-51.02
COCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004666694	0	34	-1.0	-50.97	298.23	0.32	-50.65
COCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004666694	1	34	-1.0	-51.04	298.29	0.33	-50.71
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666695	0	35	-1.0	-36.09	301.05	1.27	-34.82
CO[C@@H](C)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666695	1	35	-1.0	-36.11	301.12	1.28	-34.83
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666696	0	35	-1.0	-36.10	300.46	1.29	-34.81
CO[C@H](C)[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666696	1	35	-1.0	-36.07	300.52	1.30	-34.77
CC1=CN(C(F)F)N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004666697	0	32	-1.0	-52.16	292.01	3.19	-48.97
CC1=CN(C(F)F)N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004666697	1	32	-1.0	-52.18	291.95	3.17	-49.01
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=NC=C1F	REAL250004666698	0	34	-1.0	-50.76	301.23	2.53	-48.23
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=NC=C1F	REAL250004666698	1	34	-1.0	-50.79	301.29	2.55	-48.24
O=C(CCCC1=NN=N[N-]1)NCC1(N2C=CN=N2)CC1	REAL250004666699	0	35	-1.0	-48.17	305.98	1.41	-46.76
O=C(CCCC1=N[N-]N=N1)NCC1(N2C=CN=N2)CC1	REAL250004666699	1	35	-1.0	-48.16	305.92	1.40	-46.76
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC(O)C1	REAL250004666700	0	42	-1.0	-48.36	323.19	1.12	-47.24
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC(O)C1	REAL250004666700	1	42	-1.0	-48.36	323.25	1.14	-47.22
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CCCC1	REAL250004666701	0	39	-1.0	-47.25	311.68	0.62	-46.63
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CCCC1	REAL250004666701	1	39	-1.0	-47.24	311.74	0.64	-46.60
CC1=CN=C(F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666702	0	34	-1.0	-49.16	301.19	2.27	-46.89
CC1=CN=C(F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666702	1	34	-1.0	-49.16	301.13	2.25	-46.91
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1O	REAL250004666703	0	36	-1.0	-48.95	287.89	0.28	-48.67
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1O	REAL250004666703	1	36	-1.0	-49.01	287.95	0.30	-48.71
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666704	0	36	-1.0	-36.90	300.26	-0.16	-37.06
O=C(N[C@@H]1CCCC[C@@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666704	1	36	-1.0	-36.91	300.32	-0.14	-37.05
CO[C@@H](CO)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666705	0	33	-1.0	-39.29	293.70	-2.99	-42.28
CO[C@@H](CO)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666705	1	33	-1.0	-39.24	293.77	-2.98	-42.22
CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004666706	1	42	-1.0	-47.96	320.32	0.63	-47.33
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004666706	1	42	-1.0	-47.96	320.37	0.65	-47.31
O=C(CCCC1=N[N-]N=N1)NC1=CN=C(C2CCC2)N=C1	REAL250004666707	0	37	-1.0	-49.68	311.54	3.45	-46.23
O=C(CCCC1=NN=N[N-]1)NC1=CN=C(C2CCC2)N=C1	REAL250004666707	1	37	-1.0	-49.74	311.59	3.46	-46.28
O=C(CCCC1=N[N-]N=N1)NC1CCC2(C1)CCCCC2	REAL250004666708	0	45	-1.0	-46.40	338.91	5.32	-41.08
O=C(CCCC1=NN=N[N-]1)NC1CCC2(C1)CCCCC2	REAL250004666708	1	45	-1.0	-46.43	338.97	5.34	-41.09
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2OCCC2=C1	REAL250004666709	0	33	-1.0	-50.18	283.90	0.17	-50.01
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2OCCC2=C1	REAL250004666709	1	33	-1.0	-50.17	283.85	0.16	-50.01
O=C(CCCC1=N[N-]N=N1)NC1=C(O)C=CC(Cl)=C1F	REAL250004666710	0	30	-1.0	-52.23	290.73	1.21	-51.02
O=C(CCCC1=NN=N[N-]1)NC1=C(O)C=CC(Cl)=C1F	REAL250004666710	1	30	-1.0	-52.29	290.79	1.23	-51.06
NC(=O)C1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004666711	0	40	-1.0	-53.56	331.92	0.43	-53.13
NC(=O)C1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004666711	1	40	-1.0	-53.58	331.98	0.44	-53.14
O=C(CCCC1=NN=N[N-]1)NCC1(N2C=NC=N2)CC1	REAL250004666712	0	35	-1.0	-47.43	307.05	4.03	-43.40
O=C(CCCC1=N[N-]N=N1)NCC1(N2C=NC=N2)CC1	REAL250004666712	1	35	-1.0	-47.43	307.00	4.02	-43.41
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCCCO2	REAL250004666713	0	40	-1.0	-49.57	312.34	3.55	-46.02
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCCCO2	REAL250004666713	1	40	-1.0	-49.62	312.39	3.56	-46.06
O=C(CCCC1=N[N-]N=N1)N1CCC(F)(C(F)(F)F)C1	REAL250004666714	0	32	-1.0	-48.27	287.39	3.83	-44.44
O=C(CCCC1=NN=N[N-]1)N1CCC(F)(C(F)(F)F)C1	REAL250004666714	1	32	-1.0	-48.33	287.45	3.85	-44.48
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004666715	0	41	-1.0	-48.41	332.24	4.78	-43.63
COC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004666715	1	41	-1.0	-48.45	332.30	4.80	-43.65
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CC2CCC1C2	REAL250004666716	0	45	-1.0	-47.07	341.55	5.95	-41.12
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CC2CCC1C2	REAL250004666716	1	45	-1.0	-47.12	341.60	5.96	-41.16
CC(C)N1C=NC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666717	0	38	-1.0	-50.20	322.58	4.03	-46.17
CC(C)N1C=NC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666717	1	38	-1.0	-50.23	322.64	4.04	-46.19
O=C(CCCC1=N[N-]N=N1)NC1CCCOC12CCC2	REAL250004666718	0	40	-1.0	-45.34	317.00	2.90	-42.44
O=C(CCCC1=NN=N[N-]1)NC1CCCOC12CCC2	REAL250004666718	1	40	-1.0	-45.37	317.06	2.91	-42.46
CN(C)C(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)COC1	REAL250004666719	0	40	-1.0	-56.50	324.26	1.78	-54.72
CN(C)C(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)COC1	REAL250004666719	1	40	-1.0	-56.50	324.32	1.80	-54.70
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)COC1	REAL250004666720	0	33	-1.0	-38.16	279.05	1.70	-36.46
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)COC1	REAL250004666720	1	33	-1.0	-38.09	279.12	1.71	-36.38
O=C(CCCC1=N[N-]N=N1)NN=C1CCC2=CC=CC=C21	REAL250004666721	0	36	-1.0	-52.61	304.94	4.94	-47.67
O=C(CCCC1=NN=N[N-]1)NN=C1CCC2=CC=CC=C21	REAL250004666721	1	36	-1.0	-52.60	305.00	4.95	-47.65
O=C(CCCC1=N[N-]N=N1)NC1C[C@@H]2CSC[C@H]2C1	REAL250004666722	0	37	-1.0	-47.10	308.46	4.06	-43.04
O=C(CCCC1=NN=N[N-]1)NC1C[C@@H]2CSC[C@H]2C1	REAL250004666722	1	37	-1.0	-47.11	308.52	4.08	-43.03
CN1C2=CC=NC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004666723	0	34	-1.0	-58.78	296.74	4.78	-54.00
CN1C2=CC=NC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004666723	1	34	-1.0	-58.82	296.80	4.80	-54.02
CC1CCNC(=O)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666724	0	39	-1.0	-48.79	310.44	0.30	-48.49
CC1CCNC(=O)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666724	1	39	-1.0	-48.81	310.50	0.31	-48.50
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[C@@H]2C12CC2	REAL250004666725	0	40	-1.0	-47.74	310.35	5.74	-42.00
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[C@@H]2C12CC2	REAL250004666725	1	40	-1.0	-47.75	310.41	5.76	-41.99
O=C(CCCC1=N[N-]N=N1)N[C@H](CCO)C1CC1	REAL250004666726	0	36	-1.0	-46.85	293.91	0.83	-46.02
O=C(CCCC1=NN=N[N-]1)N[C@H](CCO)C1CC1	REAL250004666726	1	36	-1.0	-46.90	293.96	0.85	-46.05
NS(=O)(=O)NCCNC(=O)CCCC1=N[N-]N=N1	REAL250004666727	0	32	-1.0	-55.72	291.10	-6.01	-61.73
NS(=O)(=O)NCCNC(=O)CCCC1=NN=N[N-]1	REAL250004666727	1	32	-1.0	-55.73	291.16	-6.00	-61.73
COCC1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666728	0	40	-1.0	-48.00	311.51	2.76	-45.24
COCC1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666728	1	40	-1.0	-48.01	311.56	2.77	-45.24
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL250004666729	0	39	-1.0	-47.94	325.93	2.03	-45.91
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL250004666729	1	39	-1.0	-47.97	325.99	2.05	-45.92
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2CC2)C=N1	REAL250004666730	0	32	-1.0	-54.11	282.37	5.89	-48.22
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2CC2)C=N1	REAL250004666730	1	32	-1.0	-54.08	282.32	5.87	-48.21
CC(C)C(O)C(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004666731	0	38	-1.0	-46.83	304.47	0.76	-46.07
CC(C)C(O)C(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004666731	1	38	-1.0	-46.81	304.53	0.78	-46.03
CC(C)C(O)C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666732	0	38	-1.0	-36.26	313.31	-0.05	-36.31
CC(C)C(O)C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666732	1	38	-1.0	-36.22	313.37	-0.04	-36.26
CC1(C)COC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666733	0	36	-1.0	-47.54	296.91	0.96	-46.58
CC1(C)COC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666733	1	36	-1.0	-47.58	296.97	0.98	-46.60
CC1(C)COC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666734	0	36	-1.0	-36.86	307.50	0.77	-36.09
CC1(C)COC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666734	1	36	-1.0	-36.79	307.57	0.77	-36.02
CC1=NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C=C1	REAL250004666735	0	37	-1.0	-50.68	316.09	4.35	-46.33
CC1=NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C=C1	REAL250004666735	1	37	-1.0	-50.69	316.15	4.36	-46.33
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@]2(CO)CCC[C@@H]12	REAL250004666736	0	43	-1.0	-47.48	324.79	2.44	-45.04
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@]2(CO)CCC[C@@H]12	REAL250004666736	1	43	-1.0	-47.52	324.85	2.46	-45.06
CC(CCC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004666737	0	34	-1.0	-46.99	300.06	3.39	-43.60
CC(CCC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004666737	1	34	-1.0	-46.97	300.12	3.41	-43.56
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=C(C)O1	REAL250004666738	0	35	-1.0	-46.99	302.84	3.05	-43.94
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=C(C)O1	REAL250004666738	1	35	-1.0	-47.01	302.89	3.07	-43.94
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C(C)O1	REAL250004666739	0	35	-1.0	-36.54	313.43	2.84	-33.70
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C(C)O1	REAL250004666739	1	35	-1.0	-36.55	313.50	2.85	-33.70
CCCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666740	0	35	-1.0	-49.19	298.13	3.72	-45.47
CCCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666740	1	35	-1.0	-49.17	298.07	3.70	-45.47
CCCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004666741	0	35	-1.0	-39.28	308.71	3.53	-35.75
CCCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004666741	1	35	-1.0	-39.32	308.64	3.51	-35.81
C=CCCC1=CC=CN=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004666742	0	38	-1.0	-52.24	323.15	5.94	-46.30
C=CCCC1=CC=CN=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004666742	1	38	-1.0	-52.24	323.10	5.92	-46.32
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=NOCC2)CC1	REAL250004666743	0	40	-1.0	-55.29	321.98	3.88	-51.41
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=NOCC2)CC1	REAL250004666743	1	40	-1.0	-55.31	322.04	3.89	-51.42
CC(C)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004666744	0	38	-1.0	-47.24	318.25	5.31	-41.93
CC(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004666744	1	38	-1.0	-47.27	318.30	5.33	-41.94
N#CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666745	0	30	-1.0	-39.85	277.14	2.03	-37.82
N#CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666745	1	30	-1.0	-39.83	277.21	2.04	-37.79
CC(CC1=CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666746	0	42	-1.0	-46.93	334.75	5.46	-41.47
CC(CC1=CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666746	1	42	-1.0	-46.95	334.80	5.48	-41.47
CN(CC(O)C(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004666747	0	41	-1.0	-46.64	317.56	2.63	-44.01
CN(CC(O)C(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004666747	1	41	-1.0	-46.70	317.61	2.65	-44.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004666748	0	34	-1.0	-37.23	280.47	4.97	-32.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL250004666748	1	34	-1.0	-37.21	280.54	4.97	-32.24
CCC1=CSC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666749	0	37	-1.0	-50.29	328.32	2.74	-47.55
CCC1=CSC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666749	1	37	-1.0	-50.30	328.38	2.76	-47.54
O=C(CCCC1=N[N-]N=N1)N1CC2=CC=CC=C2C2CC1C2	REAL250004666750	0	40	-1.0	-48.72	315.26	6.74	-41.98
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=CC=C2C2CC1C2	REAL250004666750	1	40	-1.0	-48.72	315.31	6.75	-41.97
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC=CCO2	REAL250004666751	0	38	-1.0	-47.92	302.48	3.42	-44.50
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC=CCO2	REAL250004666751	1	38	-1.0	-47.94	302.54	3.43	-44.51
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CS1	REAL250004666752	0	36	-1.0	-48.46	318.42	2.96	-45.50
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CS1	REAL250004666752	1	36	-1.0	-48.45	318.48	2.98	-45.47
COC1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666753	0	42	-1.0	-48.58	320.87	2.28	-46.30
COC1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666753	1	42	-1.0	-48.61	320.93	2.30	-46.31
CCC1=NOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666754	0	36	-1.0	-50.19	305.90	1.75	-48.44
CCC1=NOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666754	1	36	-1.0	-50.23	305.96	1.77	-48.46
O=C(CCCC1=N[N-]N=N1)NC1(C2CCOC2)CC1	REAL250004666755	0	37	-1.0	-46.07	296.18	2.08	-43.99
O=C(CCCC1=NN=N[N-]1)NC1(C2CCOC2)CC1	REAL250004666755	1	37	-1.0	-46.11	296.23	2.10	-44.01
COC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004666756	0	38	-1.0	-47.61	323.78	1.00	-46.61
COC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004666756	1	38	-1.0	-47.56	323.72	0.98	-46.58
O=C(CCCC1=N[N-]N=N1)N1CC2(C[C@@H]1CO)OCCO2	REAL250004666757	0	39	-1.0	-51.06	316.30	0.61	-50.45
O=C(CCCC1=NN=N[N-]1)N1CC2(C[C@@H]1CO)OCCO2	REAL250004666757	1	39	-1.0	-51.01	316.36	0.63	-50.38
CCCOC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666758	0	45	-1.0	-48.53	357.22	3.91	-44.62
CCCOC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666758	1	45	-1.0	-48.56	357.28	3.92	-44.64
O=C(N[C@H](CO)CF)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666759	0	29	-1.0	-39.81	263.68	-2.02	-41.83
O=C(N[C@H](CO)CF)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666759	1	29	-1.0	-39.77	263.75	-2.01	-41.78
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H](C(F)(F)F)C1	REAL250004666760	0	32	-1.0	-47.21	284.26	2.91	-44.30
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H](C(F)(F)F)C1	REAL250004666760	1	32	-1.0	-47.19	284.32	2.93	-44.26
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666761	0	32	-1.0	-35.93	284.25	2.46	-33.47
O=C(N[C@H]1C[C@@H](CF)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666761	1	32	-1.0	-35.88	284.31	2.48	-33.40
O=C(CCCC1=N[N-]N=N1)N1CCOCCOCC1	REAL250004666762	0	37	-1.0	-46.65	278.80	0.64	-46.01
O=C(CCCC1=NN=N[N-]1)N1CCOCCOCC1	REAL250004666762	1	37	-1.0	-46.64	278.85	0.65	-45.99
O=C(CCCC1=N[N-]N=N1)NC1(C2CC2)CCCC1	REAL250004666763	0	39	-1.0	-46.73	303.17	4.44	-42.29
O=C(CCCC1=NN=N[N-]1)NC1(C2CC2)CCCC1	REAL250004666763	1	39	-1.0	-46.72	303.23	4.46	-42.26
CCOC(=O)C(CCC#N)NC(=O)CCCC1=N[N-]N=N1	REAL250004666764	0	38	-1.0	-46.36	329.58	3.43	-42.93
CCOC(=O)C(CCC#N)NC(=O)CCCC1=NN=N[N-]1	REAL250004666764	1	38	-1.0	-46.39	329.64	3.44	-42.95
O=C(CCCC1=NN=N[N-]1)NCC1(N2N=CC=N2)CC1	REAL250004666765	0	35	-1.0	-49.54	306.38	1.27	-48.27
O=C(CCCC1=N[N-]N=N1)NCC1(N2N=CC=N2)CC1	REAL250004666765	1	35	-1.0	-49.52	306.32	1.25	-48.27
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=COC=C1	REAL250004666766	0	32	-1.0	-36.67	289.23	2.08	-34.59
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=COC=C1	REAL250004666766	1	32	-1.0	-36.63	289.29	2.09	-34.54
CCC(NC(=O)CCCC1=N[N-]N=N1)C1COCCO1	REAL250004666767	0	40	-1.0	-47.68	317.29	1.37	-46.31
CCC(NC(=O)CCCC1=NN=N[N-]1)C1COCCO1	REAL250004666767	1	40	-1.0	-47.72	317.35	1.38	-46.34
O=C(CCCC1=N[N-]N=N1)NC1CC2CC1CC2O	REAL250004666768	0	37	-1.0	-47.50	297.31	0.22	-47.28
O=C(CCCC1=NN=N[N-]1)NC1CC2CC1CC2O	REAL250004666768	1	37	-1.0	-47.55	297.36	0.24	-47.31
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=CN1C	REAL250004666769	0	35	-1.0	-48.81	298.42	3.39	-45.42
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=CN1C	REAL250004666769	1	35	-1.0	-48.78	298.48	3.40	-45.38
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=CN1C	REAL250004666770	0	35	-1.0	-40.59	303.94	3.11	-37.48
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=CN1C	REAL250004666770	1	35	-1.0	-40.51	304.01	3.13	-37.38
O=C(CCCC1=N[N-]N=N1)NCC1=NC=C(C(F)F)C=N1	REAL250004666771	0	33	-1.0	-48.88	301.58	1.51	-47.37
O=C(CCCC1=NN=N[N-]1)NCC1=NC=C(C(F)F)C=N1	REAL250004666771	1	33	-1.0	-48.87	301.64	1.52	-47.35
O=C(CCCC1=N[N-]N=N1)N1CC=CCC2(CC2)C1	REAL250004666772	0	37	-1.0	-46.94	296.20	5.49	-41.45
O=C(CCCC1=NN=N[N-]1)N1CC=CCC2(CC2)C1	REAL250004666772	1	37	-1.0	-46.96	296.26	5.50	-41.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=CCC2(CC2)C1	REAL250004666773	0	37	-1.0	-35.67	302.92	5.90	-29.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=CCC2(CC2)C1	REAL250004666773	1	37	-1.0	-35.65	302.99	5.92	-29.73
CN1C=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666774	0	32	-1.0	-39.28	290.19	1.60	-37.68
CN1C=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666774	1	32	-1.0	-39.27	290.26	1.61	-37.66
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=COC=C1	REAL250004666775	0	32	-1.0	-36.66	289.25	2.08	-34.58
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=COC=C1	REAL250004666775	1	32	-1.0	-36.65	289.32	2.09	-34.56
COC(=O)C1(CNC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004666776	0	39	-1.0	-47.79	324.88	3.98	-43.81
COC(=O)C1(CNC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004666776	1	39	-1.0	-47.80	324.94	3.99	-43.81
O=C(CCCC1=N[N-]N=N1)NC1CCCC(O)C1	REAL250004666777	0	36	-1.0	-47.36	288.07	0.23	-47.13
O=C(CCCC1=NN=N[N-]1)NC1CCCC(O)C1	REAL250004666777	1	36	-1.0	-47.37	288.13	0.25	-47.12
COCC1CC(O)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004666778	0	37	-1.0	-48.20	303.64	-0.62	-48.82
COCC1CC(O)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004666778	1	37	-1.0	-48.24	303.70	-0.61	-48.85
CCCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004666779	0	45	-1.0	-48.54	357.04	3.98	-44.56
CCCO[C@@H]1CCCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004666779	1	45	-1.0	-48.54	357.10	3.99	-44.55
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004666780	0	39	-1.0	-49.98	320.63	6.60	-43.38
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004666780	1	39	-1.0	-50.00	320.68	6.62	-43.38
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CO[C@H]2COC[C@H]21	REAL250004666781	0	35	-1.0	-49.82	287.49	-0.66	-50.48
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CO[C@H]2COC[C@H]21	REAL250004666781	1	35	-1.0	-49.85	287.55	-0.65	-50.50
O=C(CCCC1=N[N-]N=N1)N1CCC2CCCCC21	REAL250004666782	0	39	-1.0	-47.64	301.16	5.15	-42.49
O=C(CCCC1=NN=N[N-]1)N1CCC2CCCCC21	REAL250004666782	1	39	-1.0	-47.68	301.21	5.17	-42.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCCCC21	REAL250004666783	0	39	-1.0	-36.45	308.42	5.28	-31.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCCCC21	REAL250004666783	1	39	-1.0	-36.42	308.49	5.28	-31.14
CC1=NOC(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666784	0	34	-1.0	-45.97	296.20	2.44	-43.53
CC1=NOC(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666784	1	34	-1.0	-45.96	296.25	2.46	-43.50
CC1=NOC(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL250004666785	0	34	-1.0	-37.84	306.79	2.25	-35.59
CC1=NOC(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL250004666785	1	34	-1.0	-37.83	306.86	2.26	-35.57
CC1(C)OCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004666786	0	39	-1.0	-45.52	303.78	2.47	-43.05
CC1(C)OCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004666786	1	39	-1.0	-45.51	303.84	2.49	-43.02
O=C(NC1CCC1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666787	0	30	-1.0	-37.80	268.08	-1.73	-39.53
O=C(NC1CCC1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666787	1	30	-1.0	-37.77	268.15	-1.72	-39.49
CC1(C)C[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]1O	REAL250004666788	0	36	-1.0	-45.84	289.86	0.53	-45.31
CC1(C)C[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]1O	REAL250004666788	1	36	-1.0	-45.84	289.92	0.54	-45.30
CC1(C)C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]1O	REAL250004666789	0	36	-1.0	-35.89	304.86	-0.23	-36.12
CC1(C)C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]1O	REAL250004666789	1	36	-1.0	-35.84	304.93	-0.23	-36.07
O=C(CCCC1=N[N-]N=N1)N1CCOCCC1C1CC1	REAL250004666790	0	40	-1.0	-47.69	311.15	4.04	-43.65
O=C(CCCC1=NN=N[N-]1)N1CCOCCC1C1CC1	REAL250004666790	1	40	-1.0	-47.67	311.21	4.05	-43.62
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1=O	REAL250004666791	0	34	-1.0	-47.74	278.46	3.52	-44.22
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1=O	REAL250004666791	1	34	-1.0	-47.73	278.52	3.53	-44.20
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1=O	REAL250004666792	0	34	-1.0	-35.54	287.49	3.59	-31.95
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1=O	REAL250004666792	1	34	-1.0	-35.58	287.55	3.59	-31.99
CC1=CSC(CCN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666794	0	37	-1.0	-53.28	325.27	4.08	-49.20
CC1=CSC(CCN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666794	1	37	-1.0	-53.31	325.32	4.09	-49.22
CC(CCC1=CC=CC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666795	0	40	-1.0	-48.03	336.02	4.24	-43.79
CC(CCC1=CC=CC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666795	1	40	-1.0	-48.01	336.08	4.26	-43.75
COCC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL250004666796	0	37	-1.0	-52.23	317.46	1.12	-51.11
COCC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL250004666796	1	37	-1.0	-52.21	317.51	1.13	-51.08
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666797	0	42	-1.0	-46.76	337.26	5.99	-40.77
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666797	1	42	-1.0	-46.80	337.31	6.00	-40.80
CC1=CC(F)=NC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004666798	0	34	-1.0	-47.07	297.93	2.40	-44.67
CC1=CC(F)=NC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004666798	1	34	-1.0	-47.08	297.99	2.42	-44.66
CC(C)C1CCOCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004666799	0	42	-1.0	-47.02	312.70	3.87	-43.15
CC(C)C1CCOCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004666799	1	42	-1.0	-47.07	312.76	3.88	-43.19
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC[C@H](C2=CC=CC=C2)C1	REAL250004666800	0	42	-1.0	-47.23	340.43	6.03	-41.20
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC[C@H](C2=CC=CC=C2)C1	REAL250004666800	1	42	-1.0	-47.21	340.49	6.05	-41.16
CC[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666801	0	41	-1.0	-48.11	332.69	5.86	-42.25
CC[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666801	1	41	-1.0	-48.11	332.74	5.87	-42.24
CN1C(=O)CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2C[C@H]21	REAL250004666802	0	34	-1.0	-49.89	282.41	2.28	-47.61
CN1C(=O)CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2C[C@H]21	REAL250004666802	1	34	-1.0	-49.95	282.47	2.30	-47.65
CN1C(=O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2C[C@H]21	REAL250004666803	0	34	-1.0	-39.07	289.33	2.57	-36.50
CN1C(=O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2C[C@H]21	REAL250004666803	1	34	-1.0	-39.07	289.39	2.57	-36.50
CC1=C2N=C(NC(=O)CCCC3=N[N-]N=N3)NC2=CC=C1	REAL250004666804	0	35	-1.0	-47.59	300.15	5.44	-42.15
CC1=C2N=C(NC(=O)CCCC3=NN=N[N-]3)NC2=CC=C1	REAL250004666804	1	35	-1.0	-47.64	300.21	5.45	-42.19
CC1=C2NC(NC(=O)CCCC3=N[N-]N=N3)=NC2=CC=C1	REAL250004666804	1	35	-1.0	-47.56	300.14	5.44	-42.12
CC1=C2NC(NC(=O)CCCC3=NN=N[N-]3)=NC2=CC=C1	REAL250004666804	1	35	-1.0	-47.61	300.20	5.46	-42.15
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004666805	0	35	-1.0	-50.08	301.01	4.39	-45.69
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004666805	1	35	-1.0	-50.09	301.07	4.40	-45.69
COC1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666806	0	37	-1.0	-48.66	300.03	-0.68	-49.34
COC1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666806	1	37	-1.0	-48.70	300.08	-0.66	-49.36
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004666807	0	45	-1.0	-46.49	330.11	5.57	-40.92
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004666807	1	45	-1.0	-46.44	330.16	5.59	-40.85
CCON1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004666808	0	41	-1.0	-48.07	333.53	1.90	-46.17
CCON1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004666808	1	41	-1.0	-48.16	333.58	1.91	-46.25
CC1=NOC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004666809	0	40	-1.0	-50.30	321.00	3.81	-46.49
CC1=NOC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004666809	1	40	-1.0	-50.32	321.06	3.83	-46.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL250004666810	0	42	-1.0	-46.72	336.63	5.18	-41.54
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL250004666810	1	42	-1.0	-46.72	336.68	5.20	-41.52
O=C(CCCC1=N[N-]N=N1)NC1=CN=C2COCCN12	REAL250004666811	0	34	-1.0	-54.25	286.89	2.10	-52.15
O=C(CCCC1=NN=N[N-]1)NC1=CN=C2COCCN12	REAL250004666811	1	34	-1.0	-54.27	286.95	2.12	-52.15
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CC2)CC1	REAL250004666812	0	39	-1.0	-46.94	312.98	4.46	-42.48
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CC2)CC1	REAL250004666812	1	39	-1.0	-46.94	313.04	4.47	-42.47
O=C(NC1CCC2(CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666813	0	39	-1.0	-35.05	323.57	4.27	-30.78
O=C(NC1CCC2(CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666813	1	39	-1.0	-35.05	323.64	4.27	-30.78
O=C(CCCC1=N[N-]N=N1)NC1CCC(=C(F)F)CC1	REAL250004666814	0	36	-1.0	-46.41	304.08	3.76	-42.65
O=C(CCCC1=NN=N[N-]1)NC1CCC(=C(F)F)CC1	REAL250004666814	1	36	-1.0	-46.43	304.13	3.78	-42.65
COC1C(C)(C)CN(C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004666815	0	45	-1.0	-48.73	344.56	4.62	-44.11
COC1C(C)(C)CN(C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004666815	1	45	-1.0	-48.71	344.61	4.64	-44.07
CCC(COC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004666816	0	35	-1.0	-44.53	304.09	1.66	-42.87
CCC(COC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004666816	1	35	-1.0	-44.54	304.15	1.68	-42.86
O=C(CCCC1=N[N-]N=N1)N1CC2CC(O)C(C2)C1	REAL250004666817	0	37	-1.0	-48.50	289.15	1.75	-46.75
O=C(CCCC1=NN=N[N-]1)N1CC2CC(O)C(C2)C1	REAL250004666817	1	37	-1.0	-48.47	289.21	1.76	-46.71
CN(CC1=NNC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666818	0	32	-1.0	-41.96	284.77	2.39	-39.57
CN(CC1=NNC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666818	1	32	-1.0	-41.90	284.85	2.41	-39.49
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666819	0	32	-1.0	-37.17	284.03	2.52	-34.65
O=C(N[C@H]1C[C@H](CF)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666819	1	32	-1.0	-37.12	284.10	2.53	-34.59
CC(C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666820	0	38	-1.0	-46.30	307.67	3.89	-42.41
CC(C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666820	1	38	-1.0	-46.33	307.73	3.91	-42.42
CC(C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666821	0	38	-1.0	-34.99	318.26	3.71	-31.28
CC(C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666821	1	38	-1.0	-34.96	318.33	3.71	-31.25
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CNC(=O)O2	REAL250004666822	0	35	-1.0	-60.27	299.28	-1.21	-61.48
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CNC(=O)O2	REAL250004666822	1	35	-1.0	-60.30	299.34	-1.19	-61.49
O=C(N[C@@H]1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666823	0	30	-1.0	-35.65	264.59	-0.20	-35.85
O=C(N[C@@H]1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666823	1	30	-1.0	-35.60	264.65	-0.18	-35.78
COC(=O)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666825	0	41	-1.0	-52.91	340.00	5.01	-47.90
COC(=O)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666825	1	41	-1.0	-52.91	340.05	5.02	-47.89
O=C(CCCC1=N[N-]N=N1)NC1=CC(N2C=CC=N2)=CC=N1	REAL250004666827	0	35	-1.0	-53.80	308.05	4.25	-49.55
O=C(CCCC1=NN=N[N-]1)NC1=CC(N2C=CC=N2)=CC=N1	REAL250004666827	1	35	-1.0	-53.80	308.10	4.26	-49.54
CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL250004666828	0	39	-1.0	-50.65	331.68	2.15	-48.50
CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL250004666828	1	39	-1.0	-50.67	331.74	2.16	-48.51
O=C(CCCC1=N[N-]N=N1)NC1COC2(C1)CCCCC2	REAL250004666829	0	43	-1.0	-47.19	334.05	3.36	-43.83
O=C(CCCC1=NN=N[N-]1)NC1COC2(C1)CCCCC2	REAL250004666829	1	43	-1.0	-47.20	334.11	3.37	-43.83
O=C(CCCC1=N[N-]N=N1)N1CC2=C(C1)C(=O)NC(=O)N2	REAL250004666830	0	33	-1.0	-49.20	291.35	-0.85	-50.05
O=C(CCCC1=NN=N[N-]1)N1CC2=C(C1)C(=O)NC(=O)N2	REAL250004666830	1	33	-1.0	-49.23	291.41	-0.83	-50.06
O=C(CCCC1=N[N-]N=N1)N1CCCC1COC(F)F	REAL250004666831	0	36	-1.0	-50.25	303.98	3.13	-47.12
O=C(CCCC1=NN=N[N-]1)N1CCCC1COC(F)F	REAL250004666831	1	36	-1.0	-50.24	304.04	3.15	-47.09
N#CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004666832	0	33	-1.0	-39.49	293.94	2.75	-36.74
N#CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004666832	1	33	-1.0	-39.46	294.00	2.75	-36.71
O=C(NCC1=NNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666833	0	28	-1.0	-37.55	263.48	-1.65	-39.20
O=C(NCC1=NNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666833	1	28	-1.0	-37.54	263.55	-1.64	-39.18
CC(F)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004666834	0	35	-1.0	-47.86	301.09	4.81	-43.05
CC(F)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004666834	1	35	-1.0	-47.86	301.15	4.82	-43.04
O=C(CCCC1=N[N-]N=N1)N1CC(=O)N2CCOCC2C1	REAL250004666835	0	38	-1.0	-48.85	305.60	1.03	-47.82
O=C(CCCC1=NN=N[N-]1)N1CC(=O)N2CCOCC2C1	REAL250004666835	1	38	-1.0	-48.88	305.66	1.04	-47.84
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL250004666836	0	47	-1.0	-45.57	342.52	5.62	-39.95
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL250004666836	1	47	-1.0	-45.55	342.57	5.63	-39.92
CC1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004666837	0	37	-1.0	-50.14	316.00	4.40	-45.74
CC1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004666837	1	37	-1.0	-50.12	315.94	4.39	-45.73
O=C(CCCC1=N[N-]N=N1)N1CC2CC(F)(C2)C1	REAL250004666838	0	33	-1.0	-49.29	270.22	4.58	-44.71
O=C(CCCC1=NN=N[N-]1)N1CC2CC(F)(C2)C1	REAL250004666838	1	33	-1.0	-49.28	270.28	4.59	-44.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2CC(F)(C2)C1	REAL250004666839	0	33	-1.0	-36.53	277.86	4.92	-31.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2CC(F)(C2)C1	REAL250004666839	1	33	-1.0	-36.51	277.94	4.94	-31.57
COCCC1=NN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004666840	1	34	-1.0	-55.76	311.62	1.31	-54.45
CC(C)C1=C(C#N)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL250004666841	0	36	-1.0	-50.26	318.89	3.25	-47.01
CC(C)C1=C(C#N)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL250004666841	1	36	-1.0	-50.31	318.95	3.26	-47.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H]2C[C@@H]1CO2	REAL250004666842	0	31	-1.0	-37.54	265.65	1.90	-35.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2C[C@@H]1CO2	REAL250004666842	1	31	-1.0	-37.51	265.71	1.91	-35.60
O=C(CCCC1=N[N-]N=N1)N1CCC2(CNC(=O)N2)CC1	REAL250004666843	0	39	-1.0	-52.89	309.45	-0.26	-53.15
O=C(CCCC1=NN=N[N-]1)N1CCC2(CNC(=O)N2)CC1	REAL250004666843	1	39	-1.0	-52.91	309.51	-0.25	-53.16
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CO1)C(F)F	REAL250004666844	0	32	-1.0	-45.43	292.29	2.66	-42.77
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CO1)C(F)F	REAL250004666844	1	32	-1.0	-45.42	292.35	2.67	-42.75
CC(C)(O)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666845	0	39	-1.0	-47.07	308.93	1.71	-45.36
CC(C)(O)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666845	1	39	-1.0	-47.08	308.98	1.73	-45.35
COC(=O)[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1F	REAL250004666846	0	38	-1.0	-49.57	315.98	4.32	-45.25
COC(=O)[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1F	REAL250004666846	1	38	-1.0	-49.56	316.04	4.33	-45.23
CC(C)CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004666847	0	38	-1.0	-49.23	317.93	4.50	-44.73
CC(C)CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004666847	1	38	-1.0	-49.21	317.88	4.48	-44.73
CC(=O)NCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666848	0	39	-1.0	-54.69	324.59	1.83	-52.86
CC(=O)NCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666848	1	39	-1.0	-54.66	324.65	1.85	-52.81
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2OCCO[C@H]2C1	REAL250004666849	0	35	-1.0	-50.19	283.37	1.22	-48.97
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2OCCO[C@H]2C1	REAL250004666849	1	35	-1.0	-50.19	283.43	1.23	-48.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCF)=C1	REAL250004666850	0	35	-1.0	-48.22	302.77	4.93	-43.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCF)=C1	REAL250004666850	1	35	-1.0	-48.22	302.82	4.94	-43.28
CC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004666851	0	35	-1.0	-44.30	284.98	-2.16	-46.46
CC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004666851	1	35	-1.0	-44.29	285.04	-2.15	-46.44
CCCCCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666852	1	46	-1.0	-47.00	356.10	2.83	-44.17
CCCCCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666852	1	46	-1.0	-47.00	356.16	2.84	-44.16
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)NC1CC1	REAL250004666853	1	38	-1.0	-47.13	301.69	1.38	-45.75
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)NC1CC1	REAL250004666853	1	38	-1.0	-47.15	301.75	1.40	-45.75
CC(C)C(C)NC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666855	1	46	-1.0	-47.20	349.43	2.81	-44.39
CC(C)C(C)NC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666855	1	46	-1.0	-47.20	349.49	2.83	-44.37
CN(C)C(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666858	1	37	-1.0	-47.47	287.54	1.59	-45.88
C1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CS1	REAL250004666860	0	33	-1.0	-40.18	276.67	1.83	-38.35
C1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666860	1	33	-1.0	-40.21	276.73	1.85	-38.36
ClC1=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=NS1	REAL250004666861	0	32	-1.0	-42.34	287.50	1.91	-40.43
ClC1=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=NS1	REAL250004666861	1	32	-1.0	-42.37	287.56	1.92	-40.45
NC(=O)NC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666862	0	35	-1.0	-58.85	283.74	-1.61	-60.46
NC(=O)NC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666862	1	35	-1.0	-58.85	283.80	-1.59	-60.44
CNC(=O)NC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666863	0	38	-1.0	-59.14	305.67	-0.21	-59.35
CNC(=O)NC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666863	1	38	-1.0	-59.18	305.73	-0.19	-59.37
CCCCOC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666865	0	42	-1.0	-43.73	330.83	4.57	-39.16
CCCCOC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666865	1	42	-1.0	-43.73	330.89	4.59	-39.14
CC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666867	0	35	-1.0	-43.26	284.48	0.45	-42.81
CC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666867	1	35	-1.0	-43.25	284.54	0.47	-42.78
C1=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=C2C=CC=CN12	REAL250004666869	0	40	-1.0	-45.77	319.23	5.28	-40.49
C1=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=C2C=CC=CN12	REAL250004666869	1	40	-1.0	-45.77	319.30	5.29	-40.48
N#CCCC(C#N)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666873	0	38	-1.0	-46.99	314.13	4.24	-42.75
N#CCCC(C#N)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666873	1	38	-1.0	-46.99	314.19	4.26	-42.73
CNC(=O)NC(=O)C(C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004666874	1	41	-1.0	-52.29	320.41	0.15	-52.14
CNC(=O)NC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666874	1	41	-1.0	-52.25	320.48	0.17	-52.08
COCCCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666875	1	44	-1.0	-47.34	346.77	0.34	-47.00
COCCCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666875	1	44	-1.0	-47.30	346.83	0.35	-46.95
COC(=O)C(C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004666879	0	36	-1.0	-39.62	281.91	2.56	-37.06
COC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666879	1	36	-1.0	-39.65	281.97	2.58	-37.07
FC(F)N1C=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666880	0	37	-1.0	-43.62	303.45	3.25	-40.37
FC(F)N1C=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666880	1	37	-1.0	-43.63	303.51	3.27	-40.36
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)N1CCC1	REAL250004666881	1	38	-1.0	-49.04	299.77	2.13	-46.91
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)N1CCC1	REAL250004666881	1	38	-1.0	-49.03	299.83	2.14	-46.89
CCC1=NOC(C(C)N2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666883	0	41	-1.0	-39.01	323.19	1.55	-37.46
CCC1=NOC(C(C)N2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666883	1	41	-1.0	-39.00	323.25	1.56	-37.44
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)N1CCNC1=O	REAL250004666885	1	39	-1.0	-47.67	307.63	-0.15	-47.82
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)N1CCNC1=O	REAL250004666885	1	39	-1.0	-47.69	307.69	-0.13	-47.82
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)NC1CCCC1	REAL250004666886	1	44	-1.0	-47.35	335.89	2.61	-44.74
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)NC1CCCC1	REAL250004666886	1	44	-1.0	-47.33	335.95	2.62	-44.71
CCC1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CS1	REAL250004666887	0	39	-1.0	-43.07	320.16	3.58	-39.49
CCC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666887	1	39	-1.0	-43.05	320.23	3.60	-39.45
C1=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=C2N=CC=CN12	REAL250004666888	0	39	-1.0	-56.55	314.11	6.16	-50.39
C1=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=C2N=CC=CN12	REAL250004666888	1	39	-1.0	-56.52	314.17	6.17	-50.35
C(C1=N[N-]N=N1)C1CCN(CC2=NC(C3CC3)=NO2)CC1	REAL250004666889	0	39	-1.0	-44.34	314.79	1.80	-42.54
C(C1=NN=N[N-]1)C1CCN(CC2=NC(C3CC3)=NO2)CC1	REAL250004666889	1	39	-1.0	-44.35	314.85	1.81	-42.54
CC1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=NO1	REAL250004666894	0	35	-1.0	-43.37	284.28	0.48	-42.89
CC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004666894	1	35	-1.0	-43.42	284.34	0.49	-42.93
CC1=NOC(C(C)N2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666895	0	38	-1.0	-43.45	301.72	0.94	-42.51
CC1=NOC(C(C)N2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666895	1	38	-1.0	-43.44	301.78	0.96	-42.48
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)NCC1CC1	REAL250004666896	0	41	-1.0	-47.03	323.14	2.07	-44.96
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)NCC1CC1	REAL250004666896	1	41	-1.0	-47.07	323.21	2.08	-44.99
CCC(C)NC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666898	1	46	-1.0	-47.59	345.20	2.63	-44.96
CCCCNC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666899	1	46	-1.0	-47.40	346.95	2.40	-45.00
CN1C(Cl)=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666901	0	37	-1.0	-41.63	303.15	3.16	-38.47
CN1C(Cl)=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666901	1	37	-1.0	-41.65	303.21	3.18	-38.47
N#CCCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666904	0	38	-1.0	-54.43	312.45	1.01	-53.42
N#CCCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666904	1	38	-1.0	-54.37	312.52	1.03	-53.34
CC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666905	1	36	-1.0	-39.57	289.83	3.06	-36.51
CC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666905	1	36	-1.0	-39.58	289.89	3.07	-36.51
CC1CC(N2CCC(CC3=N[N-]N=N3)CC2)C(=O)O1	REAL250004666909	0	37	-1.0	-41.38	286.13	2.87	-38.51
CC1CC(N2CCC(CC3=NN=N[N-]3)CC2)C(=O)O1	REAL250004666909	1	37	-1.0	-41.39	286.20	2.89	-38.50
C1=CC=C2OC(CN3CCC(CC4=N[N-]N=N4)CC3)=NC2=C1	REAL250004666913	1	39	-1.0	-46.21	314.09	1.72	-44.49
C1=CC=C2OC(CN3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL250004666913	1	39	-1.0	-46.21	314.15	1.74	-44.47
CC1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CS1	REAL250004666914	0	36	-1.0	-42.91	298.66	2.83	-40.08
CC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666914	1	36	-1.0	-42.87	298.72	2.84	-40.03
CC(C)CNC(=O)C(C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004666916	1	46	-1.0	-47.24	344.26	2.35	-44.89
CC(C)CNC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666916	1	46	-1.0	-47.22	344.32	2.36	-44.86
FC1=CC=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1F	REAL250004666920	0	37	-1.0	-41.09	303.39	4.77	-36.32
FC1=CC=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1F	REAL250004666920	1	37	-1.0	-41.09	303.45	4.78	-36.31
C(C1=N[N-]N=N1)C1CCN(CC2=NN=NN2C2CC2)CC1	REAL250004666922	0	39	-1.0	-42.06	307.94	1.97	-40.09
C(C1=NN=N[N-]1)C1CCN(CC2=NN=NN2C2CC2)CC1	REAL250004666922	1	39	-1.0	-42.04	308.00	1.99	-40.05
CC(C)C1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666923	0	41	-1.0	-43.87	325.74	1.35	-42.52
CC(C)C1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666923	1	41	-1.0	-43.85	325.80	1.37	-42.48
CCC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666924	0	38	-1.0	-43.87	304.89	0.90	-42.97
CCC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666924	1	38	-1.0	-43.89	304.95	0.91	-42.98
CCCC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004666925	0	41	-1.0	-43.75	326.39	1.66	-42.09
CCCC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004666925	1	41	-1.0	-43.76	326.45	1.68	-42.08
C#CCNC(=O)C(C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004666926	1	39	-1.0	-47.02	309.72	1.35	-45.67
C=CCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004666927	1	38	-1.0	-46.85	304.41	1.07	-45.78
C=CCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004666927	1	38	-1.0	-46.89	304.47	1.08	-45.81
ClC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004666928	1	34	-1.0	-39.92	298.69	4.57	-35.35
ClC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004666928	1	34	-1.0	-39.93	298.75	4.58	-35.35
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)N1CCCC1	REAL250004666930	1	41	-1.0	-48.08	315.76	2.91	-45.17
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CCOC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667101	1	36	-1.0	-44.08	287.89	3.01	-41.07
COC(=O)C(C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667103	0	36	-1.0	-39.62	281.91	2.56	-37.06
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COC1=CC=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667104	1	40	-1.0	-44.35	319.08	2.01	-42.34
CCCCOC(=O)C(C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667109	0	45	-1.0	-39.00	346.77	5.06	-33.94
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FC1=CC=C(F)C(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667123	0	37	-1.0	-39.39	305.34	5.00	-34.39
FC1=CC=C(F)C(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667123	1	37	-1.0	-39.39	305.41	5.01	-34.38
CCOCCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667125	0	44	-1.0	-47.11	347.05	0.56	-46.55
CCOCCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667125	1	44	-1.0	-47.12	347.12	0.58	-46.54
FC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL250004667126	0	37	-1.0	-38.73	304.07	4.78	-33.95
FC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL250004667126	1	37	-1.0	-38.75	304.13	4.79	-33.96
CC1=CSC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667129	0	36	-1.0	-39.83	297.86	2.53	-37.30
CC1=CSC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667129	1	36	-1.0	-39.87	297.92	2.55	-37.32
CC1=C(C)SC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667130	1	39	-1.0	-43.25	319.54	3.55	-39.70
CC1=C(C)SC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667130	1	39	-1.0	-43.27	319.60	3.57	-39.70
CS(=O)(=O)CCCN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667132	1	39	-1.0	-51.33	317.41	0.20	-51.13
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CC1=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=NN1C	REAL250004667142	0	40	-1.0	-46.00	314.71	3.15	-42.85
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C(C1=NN=N[N-]1)C1CCN(CC2=NN=C3CCCN23)CC1	REAL250004667148	1	40	-1.0	-46.57	310.58	4.38	-42.19
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COC(=O)C(C(C)C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667200	1	42	-1.0	-43.39	313.26	4.04	-39.35
COC(=O)C(C(C)C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667200	1	42	-1.0	-43.46	313.32	4.06	-39.40
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COCC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004667203	1	39	-1.0	-45.99	318.01	-0.62	-46.61
C(C1=NN=N[N-]1)C1CCN(CC2OCCO2)CC1	REAL250004667204	1	36	-1.0	-40.66	272.45	0.91	-39.75
ClC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL250004667207	0	36	-1.0	-42.61	303.59	3.83	-38.78
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COCC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667209	0	39	-1.0	-46.42	317.07	-0.74	-47.16
COCC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667209	1	39	-1.0	-46.42	317.13	-0.72	-47.14
CC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667212	0	35	-1.0	-42.41	292.57	1.62	-40.79
CC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667212	1	35	-1.0	-42.43	292.64	1.63	-40.80
CC(C)COC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667215	0	42	-1.0	-43.87	329.43	4.46	-39.41
CC(C)COC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667215	1	42	-1.0	-43.87	329.49	4.47	-39.40
CC1=CN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667218	0	36	-1.0	-39.43	297.04	2.56	-36.87
CC1=CN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667218	1	36	-1.0	-39.40	297.10	2.57	-36.83
CC(C)C1=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=CO1	REAL250004667220	0	42	-1.0	-44.55	329.85	1.86	-42.69
CC(C)C1=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=CO1	REAL250004667220	1	42	-1.0	-44.59	329.92	1.87	-42.72
CC1=CN=C(C(C)N2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667225	0	39	-1.0	-44.21	306.70	1.24	-42.97
CC1=CN=C(C(C)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667225	1	39	-1.0	-44.24	306.77	1.25	-42.99
CC1=CC=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667227	0	38	-1.0	-43.88	303.93	2.83	-41.05
CC1=CC=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667227	1	38	-1.0	-43.85	304.00	2.84	-41.01
CN1C=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=N1	REAL250004667229	0	36	-1.0	-45.16	288.11	1.28	-43.88
CN1C=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=N1	REAL250004667229	1	36	-1.0	-45.13	288.17	1.30	-43.83
N#CC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL250004667233	1	37	-1.0	-44.60	307.71	3.73	-40.87
N#CC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL250004667233	1	37	-1.0	-44.62	307.77	3.74	-40.88
COC1=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667234	1	40	-1.0	-43.16	318.49	1.53	-41.63
CC1=C(CN2CCC(CC3=N[N-]N=N3)CC2)OC(=O)O1	REAL250004667235	1	36	-1.0	-48.91	291.80	3.74	-45.17
CC1=C(CN2CCC(CC3=NN=N[N-]3)CC2)OC(=O)O1	REAL250004667235	1	36	-1.0	-48.92	291.86	3.76	-45.16
CN1N=CC=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667237	1	37	-1.0	-42.66	285.91	2.17	-40.49
CN1N=CC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667237	1	37	-1.0	-42.66	285.97	2.19	-40.47
C1=C(C2CC2)OC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667238	0	40	-1.0	-43.41	320.81	1.87	-41.54
C1=C(C2CC2)OC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667238	1	40	-1.0	-43.43	320.87	1.89	-41.54
CCCC(C(=O)OCC)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667239	1	45	-1.0	-39.35	342.68	5.45	-33.90
CCCC(C(=O)OCC)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667239	1	45	-1.0	-39.35	342.74	5.46	-33.89
FC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL250004667243	0	37	-1.0	-38.73	304.07	4.78	-33.95
FC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL250004667243	1	37	-1.0	-38.75	304.13	4.79	-33.96
CC(C1=CN=CC=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667247	1	38	-1.0	-42.82	297.66	2.28	-40.54
FC1=CN=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667248	0	36	-1.0	-40.71	291.71	2.85	-37.86
FC1=CN=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667248	1	36	-1.0	-40.70	291.77	2.86	-37.84
OC(CN1CCC(CC2=NN=N[N-]2)CC1)C(F)(F)F	REAL250004667254	1	34	-1.0	-39.49	282.10	-0.15	-39.64
CCC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)N1	REAL250004667257	0	39	-1.0	-49.79	309.83	2.81	-46.98
CCC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)N1	REAL250004667257	1	39	-1.0	-49.80	309.89	2.83	-46.97
CC1=NN=C(C(C)N2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667258	0	38	-1.0	-42.01	311.22	2.17	-39.84
CC1=NN=C(C(C)N2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667258	1	38	-1.0	-42.02	311.28	2.18	-39.84
CCC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667259	0	38	-1.0	-42.53	313.10	2.18	-40.35
CCC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667259	1	38	-1.0	-42.53	313.16	2.20	-40.33
C(#CC1=CC=CC=C1)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667269	1	39	-1.0	-42.50	321.62	6.40	-36.10
CC(C1=NN=NN1C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667270	0	38	-1.0	-48.96	298.96	0.91	-48.05
CC(C1=NN=NN1C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667270	1	38	-1.0	-49.01	299.03	0.92	-48.09
FC1=CC=CC(F)=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667278	0	37	-1.0	-41.48	300.03	4.77	-36.71
FC1=CC=CC(F)=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667278	1	37	-1.0	-41.48	300.09	4.79	-36.69
FC1=CC(F)=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667286	1	37	-1.0	-39.60	304.06	4.94	-34.66
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ClC1=CN=C(CN2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667289	1	35	-1.0	-39.20	297.57	1.72	-37.48
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COC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=N1	REAL250004667310	1	39	-1.0	-42.67	314.08	0.14	-42.53
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CC(C)N1N=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667323	0	42	-1.0	-45.87	330.50	4.69	-41.18
CC(C)N1N=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667323	1	42	-1.0	-45.88	330.56	4.70	-41.18
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NC1=CC=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667330	0	37	-1.0	-44.35	296.50	0.62	-43.73
NC1=CC=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667330	1	37	-1.0	-44.33	296.56	0.64	-43.69
CC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667331	0	35	-1.0	-43.26	284.48	0.45	-42.81
CC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667331	1	35	-1.0	-43.25	284.54	0.47	-42.78
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FC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL250004667341	1	36	-1.0	-43.11	293.31	3.42	-39.69
CN1C=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667342	0	37	-1.0	-43.38	294.33	4.04	-39.34
CN1C=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667342	1	37	-1.0	-43.37	294.39	4.05	-39.32
CN(C)C1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667344	0	40	-1.0	-45.29	320.88	-1.28	-46.57
CN(C)C1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667344	1	40	-1.0	-45.32	320.94	-1.26	-46.58
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CCCN1N=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667350	1	42	-1.0	-45.19	332.63	4.81	-40.38
CCC(C(=O)OC)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667351	0	39	-1.0	-43.59	298.14	3.33	-40.26
CCC(C(=O)OC)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667351	1	39	-1.0	-43.58	298.20	3.34	-40.24
CC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667352	0	35	-1.0	-44.30	284.98	-2.16	-46.46
CC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667352	1	35	-1.0	-44.29	285.04	-2.15	-46.44
CCN1N=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667359	0	39	-1.0	-45.74	310.70	4.00	-41.74
CCN1N=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667359	1	39	-1.0	-45.80	310.76	4.02	-41.78
CN1N=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667361	0	35	-1.0	-45.95	284.33	0.55	-45.40
CN1N=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667361	1	35	-1.0	-45.96	284.39	0.57	-45.39
CC1=NC(C(C)N2CCC(CC3=N[N-]N=N3)CC2)=NO1	REAL250004667362	0	38	-1.0	-44.59	301.57	0.43	-44.16
CC1=NC(C(C)N2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004667362	1	38	-1.0	-44.58	301.63	0.44	-44.14
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C1=C(CN2CCC(CC3=N[N-]N=N3)CC2)SN=N1	REAL250004667369	0	32	-1.0	-39.37	269.65	1.26	-38.11
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COC(=O)C(CC(C)C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667371	1	45	-1.0	-39.09	332.49	6.27	-32.82
COC(=O)C(CC(C)C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667371	1	45	-1.0	-39.07	332.56	6.28	-32.79
C1=CN=C2N=C(CN3CCC(CC4=N[N-]N=N4)CC3)OC2=C1	REAL250004667376	0	38	-1.0	-48.81	309.88	1.14	-47.67
C1=CN=C2N=C(CN3CCC(CC4=NN=N[N-]4)CC3)OC2=C1	REAL250004667376	1	38	-1.0	-48.78	309.95	1.16	-47.62
CCOC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667378	0	36	-1.0	-44.07	287.83	3.00	-41.07
CCOC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667378	1	36	-1.0	-44.08	287.89	3.01	-41.07
CCN1N=NC(C)=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667380	1	42	-1.0	-45.71	325.51	2.38	-43.33
CCN1N=NC(C)=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667380	1	42	-1.0	-45.69	325.58	2.39	-43.30
CC(C1=CSN=N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667384	0	35	-1.0	-42.06	287.28	2.01	-40.05
CC(C1=CSN=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667384	1	35	-1.0	-42.08	287.34	2.02	-40.06
C1=NSN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667385	0	32	-1.0	-40.56	269.84	0.69	-39.87
C1=NSN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667385	1	32	-1.0	-40.57	269.90	0.70	-39.87
CCN1N=C(C)C(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667387	0	42	-1.0	-42.84	327.85	2.20	-40.64
CCN1N=C(C)C(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667387	1	42	-1.0	-42.82	327.91	2.22	-40.60
COC1=CC=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667392	0	39	-1.0	-43.03	313.64	0.33	-42.70
COC1=CC=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667392	1	39	-1.0	-43.07	313.70	0.35	-42.72
ClC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)C=N1	REAL250004667399	0	36	-1.0	-42.41	302.98	3.37	-39.04
ClC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667399	1	36	-1.0	-42.47	303.04	3.39	-39.08
ClC1=NC=CC=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667400	0	36	-1.0	-41.07	302.68	3.57	-37.50
ClC1=NC=CC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667400	1	36	-1.0	-41.11	302.75	3.58	-37.53
CCCNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667401	1	40	-1.0	-47.19	313.10	1.28	-45.91
CCCNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667401	1	40	-1.0	-47.16	313.16	1.29	-45.87
FC1=CC=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667406	0	36	-1.0	-47.06	293.23	3.28	-43.78
FC1=CC=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667406	1	36	-1.0	-47.08	293.29	3.30	-43.78
N#CC1=CC=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667410	1	35	-1.0	-42.17	301.37	4.33	-37.84
N#CC1=CC=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667410	1	35	-1.0	-42.15	301.44	4.35	-37.80
CC1=NON=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667414	0	35	-1.0	-43.03	279.22	1.11	-41.92
CC1=NON=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667414	1	35	-1.0	-43.06	279.29	1.13	-41.93
CC1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CO1	REAL250004667415	0	36	-1.0	-41.56	288.64	0.39	-41.17
CC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL250004667415	1	36	-1.0	-41.58	288.70	0.41	-41.17
CC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)N1	REAL250004667419	0	36	-1.0	-43.90	288.38	2.19	-41.71
CC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)N1	REAL250004667419	1	36	-1.0	-43.92	288.44	2.20	-41.72
CC1=NOC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667425	1	36	-1.0	-39.51	289.32	2.77	-36.74
CN1C=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667431	0	37	-1.0	-42.38	287.62	3.02	-39.36
CN1C=CN=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667431	1	37	-1.0	-42.39	287.68	3.04	-39.35
CC1=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=NC=N1	REAL250004667434	1	38	-1.0	-44.27	303.37	3.75	-40.52
CC1=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=NC=N1	REAL250004667434	1	38	-1.0	-44.31	303.44	3.76	-40.55
CC1=C(CN2CCC(CC3=N[N-]N=N3)CC2)SN=N1	REAL250004667435	0	35	-1.0	-42.99	289.80	1.84	-41.15
CC1=C(CN2CCC(CC3=NN=N[N-]3)CC2)SN=N1	REAL250004667435	1	35	-1.0	-43.03	289.86	1.86	-41.17
CN1N=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667436	0	36	-1.0	-42.87	289.21	0.97	-41.90
CN1N=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667436	1	36	-1.0	-42.85	289.27	0.99	-41.86
C1=C(CN2CCC(CC3=N[N-]N=N3)CC2)N=NS1	REAL250004667437	0	32	-1.0	-41.69	269.77	1.18	-40.51
C1=C(CN2CCC(CC3=NN=N[N-]3)CC2)N=NS1	REAL250004667437	1	32	-1.0	-41.67	269.83	1.20	-40.47
CCC1=NOC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667445	1	39	-1.0	-41.79	310.16	3.47	-38.32
CC(C1=NC=CC(N)=N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667449	0	40	-1.0	-42.04	315.27	1.13	-40.91
CC(C1=NC=CC(N)=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667449	1	40	-1.0	-42.03	315.33	1.14	-40.89
COC1=CN=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667450	1	40	-1.0	-42.52	314.88	2.04	-40.48
COC1=CN=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667450	1	40	-1.0	-42.50	314.94	2.05	-40.45
CC(C1=NN=CN1C)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667451	0	39	-1.0	-49.71	304.76	3.98	-45.73
CC(C1=NN=CN1C)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667451	1	39	-1.0	-49.74	304.83	3.99	-45.75
CC(C)C1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CO1	REAL250004667452	0	42	-1.0	-41.14	330.97	1.74	-39.40
CC(C)C1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL250004667452	1	42	-1.0	-41.19	331.03	1.76	-39.43
CC(C)C1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)N1	REAL250004667453	0	42	-1.0	-44.59	329.86	3.29	-41.30
CC(C)C1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)N1	REAL250004667453	1	42	-1.0	-44.57	329.92	3.31	-41.26
ClC1=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=CS1	REAL250004667454	0	33	-1.0	-43.84	293.81	2.63	-41.21
ClC1=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004667454	1	33	-1.0	-43.84	293.88	2.65	-41.19
CN1N=NC=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667464	0	36	-1.0	-44.59	280.13	0.97	-43.62
CN1N=NC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667464	1	36	-1.0	-44.59	280.19	0.99	-43.60
CN(C)C(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667465	1	37	-1.0	-47.47	287.54	1.59	-45.88
CC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667467	1	36	-1.0	-39.57	289.83	3.06	-36.51
CC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667467	1	36	-1.0	-39.58	289.89	3.07	-36.51
CN1N=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667468	0	36	-1.0	-42.87	289.21	0.97	-41.90
CN1N=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667468	1	36	-1.0	-42.85	289.27	0.99	-41.86
FC1=CN=CC=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667472	0	36	-1.0	-43.71	285.42	2.72	-40.99
FC1=CN=CC=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667472	1	36	-1.0	-43.70	285.48	2.74	-40.96
CC(CN1CCC(CC2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL250004667473	1	39	-1.0	-47.83	311.02	0.81	-47.02
CC(CN1CCC(CC2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL250004667473	1	39	-1.0	-47.82	311.08	0.82	-47.00
COC1=NOC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667476	0	37	-1.0	-42.35	299.82	0.43	-41.92
COC1=NOC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667476	1	37	-1.0	-42.36	299.88	0.44	-41.92
CC1=NN=C(C(C)N2CCC(CC3=N[N-]N=N3)CC2)N1	REAL250004667479	0	39	-1.0	-45.09	304.79	2.60	-42.49
CC1=NN=C(C(C)N2CCC(CC3=NN=N[N-]3)CC2)N1	REAL250004667479	1	39	-1.0	-45.08	304.84	2.62	-42.46
CC1=C(C)SC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667484	1	39	-1.0	-43.25	319.54	3.55	-39.70
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CC1=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=NO1	REAL250004667569	0	36	-1.0	-40.57	289.31	3.13	-37.44
CC1=CC(CN2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004667569	1	36	-1.0	-40.59	289.37	3.14	-37.45
CC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667570	0	35	-1.0	-42.41	292.57	1.62	-40.79
CC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667570	1	35	-1.0	-42.43	292.64	1.63	-40.80
CC1=NC=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667574	1	36	-1.0	-40.37	290.27	0.51	-39.86
CC1=NC=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667574	1	36	-1.0	-40.34	290.33	0.53	-39.81
CC(C1=NC=CC=N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667575	0	38	-1.0	-41.74	299.65	2.37	-39.37
CC(C1=NC=CC=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667575	1	38	-1.0	-41.74	299.71	2.39	-39.35
ClC1=CC=CN=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667578	0	36	-1.0	-40.48	300.43	3.47	-37.01
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CC1=CN=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667580	0	36	-1.0	-43.31	289.22	0.27	-43.04
CC1=CN=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667580	1	36	-1.0	-43.29	289.29	0.29	-43.00
CNS(=O)(=O)CCN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667583	1	38	-1.0	-44.90	310.43	-1.88	-46.78
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CCC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667590	0	38	-1.0	-42.53	313.10	2.18	-40.35
CCC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667590	1	38	-1.0	-42.53	313.16	2.20	-40.33
CC(C)(C)CNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667591	0	46	-1.0	-46.68	348.98	2.73	-43.95
CC(C)(C)CNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667591	1	46	-1.0	-46.70	349.05	2.75	-43.95
CC(C1=CC=C(F)N=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004667593	1	39	-1.0	-42.65	309.10	3.84	-38.81
CC(C1=CC=C(F)N=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667593	1	39	-1.0	-42.66	309.16	3.86	-38.80
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ClC1=CC=NC(CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667663	0	36	-1.0	-38.96	303.58	3.84	-35.12
ClC1=CC=NC(CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667663	1	36	-1.0	-38.97	303.65	3.85	-35.12
CON1CCC(N2CCC(CC3=N[N-]N=N3)CC2)C1=O	REAL250004667668	1	39	-1.0	-50.39	305.47	1.90	-48.49
CON1CCC(N2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL250004667668	1	39	-1.0	-50.38	305.54	1.92	-48.46
CCC(C)C(C(=O)OC)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004667671	1	45	-1.0	-39.32	333.67	4.87	-34.45
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COC1=NN=C(CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL250004667674	0	36	-1.0	-42.09	304.03	-0.87	-42.96
COC1=NN=C(CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667674	1	36	-1.0	-42.12	304.09	-0.86	-42.98
CCC1=NC=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667679	1	39	-1.0	-39.88	310.73	1.13	-38.75
CCC1=NC=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667679	1	39	-1.0	-39.90	310.79	1.14	-38.76
CC1=C(C(C)N2CCC(CC3=N[N-]N=N3)CC2)SN=N1	REAL250004667683	1	38	-1.0	-42.48	307.27	2.58	-39.90
CC1=C(C(C)N2CCC(CC3=NN=N[N-]3)CC2)SN=N1	REAL250004667683	1	38	-1.0	-42.45	307.33	2.59	-39.86
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)C1CCCCO1	REAL250004667692	0	43	-1.0	-43.52	329.69	4.16	-39.36
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CC1=CON=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667700	0	36	-1.0	-44.74	289.59	2.93	-41.81
CC1=CON=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667700	1	36	-1.0	-44.74	289.66	2.94	-41.80
CC1=NC=C(CN2CCC(CC3=N[N-]N=N3)CC2)C=N1	REAL250004667701	1	38	-1.0	-42.33	302.79	2.72	-39.61
CC1=NC=C(CN2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667701	1	38	-1.0	-42.35	302.85	2.73	-39.62
CC1=CN(C)N=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667709	0	40	-1.0	-43.21	309.88	2.71	-40.50
CC1=CN(C)N=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667709	1	40	-1.0	-43.23	309.94	2.73	-40.50
CC(C)C1=CN=C(CN2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667711	0	42	-1.0	-43.81	332.36	2.15	-41.66
CC(C)C1=CN=C(CN2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667711	1	42	-1.0	-43.80	332.42	2.17	-41.63
FCCN1C=C(CN2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667712	1	40	-1.0	-42.99	322.84	3.57	-39.42
FC1=CN=CC(F)=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL250004667718	0	36	-1.0	-39.98	295.39	3.05	-36.93
FC1=CN=CC(F)=C1CN1CCC(CC2=NN=N[N-]2)CC1	REAL250004667718	1	36	-1.0	-39.96	295.45	3.06	-36.90
CN1C=CC(CN2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL250004667719	0	37	-1.0	-45.67	295.23	2.69	-42.98
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CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL250004667975	1	38	-1.0	-53.29	302.28	4.17	-49.12
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CC1=NOC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004667994	1	34	-1.0	-51.64	289.71	1.53	-50.11
CN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004667995	0	32	-1.0	-52.70	268.52	1.47	-51.23
CN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004667995	1	32	-1.0	-52.70	268.45	1.47	-51.23
O=C(NC1=C2C=CNC2=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004667996	0	36	-1.0	-54.97	297.96	2.77	-52.20
O=C(NC1=C2C=CNC2=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004667996	1	36	-1.0	-54.94	297.89	2.78	-52.16
O=C(NC1=CC=C2NC=CC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004667997	0	36	-1.0	-57.27	298.20	2.74	-54.53
O=C(NC1=CC=C2NC=CC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004667997	1	36	-1.0	-57.30	298.27	2.74	-54.56
CC1=NC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004667998	0	33	-1.0	-51.61	277.99	0.71	-50.90
CC1=NC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004667998	1	33	-1.0	-51.66	278.06	0.71	-50.95
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL250004667999	0	35	-1.0	-49.91	293.13	3.44	-46.47
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL250004667999	1	35	-1.0	-49.89	293.20	3.43	-46.46
O=C(NC1=NN=C2C=CC=CN21)NC1(C2=NN=N[N-]2)CCC1	REAL250004668000	0	34	-1.0	-69.07	290.16	5.71	-63.36
O=C(NC1=NN=C2C=CC=CN21)NC1(C2=N[N-]N=N2)CCC1	REAL250004668000	1	34	-1.0	-69.04	290.09	5.72	-63.32
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN=C1C	REAL250004668001	0	36	-1.0	-64.45	296.58	2.31	-62.14
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN=C1C	REAL250004668001	1	36	-1.0	-64.47	296.64	2.30	-62.17
CCC1=NN(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668002	0	38	-1.0	-52.78	310.13	2.75	-50.03
CCC1=NN(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668002	1	38	-1.0	-52.80	310.19	2.75	-50.05
CN1C=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C1=O	REAL250004668003	0	35	-1.0	-71.40	292.50	2.47	-68.93
CN1C=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C1=O	REAL250004668003	1	35	-1.0	-71.40	292.57	2.46	-68.94
CCC1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004668004	0	34	-1.0	-56.23	296.40	2.90	-53.33
CCC1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004668004	1	34	-1.0	-56.22	296.34	2.91	-53.31
CCCN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668005	0	38	-1.0	-56.69	311.74	2.10	-54.59
CCCN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668005	1	38	-1.0	-56.69	311.68	2.10	-54.59
CC1=C(F)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668006	0	35	-1.0	-48.16	289.55	3.61	-44.55
CC1=C(F)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668006	1	35	-1.0	-48.20	289.62	3.60	-44.60
CC1=NC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668007	0	34	-1.0	-50.01	279.37	1.79	-48.22
CC1=NC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668007	1	34	-1.0	-50.02	279.44	1.78	-48.24
CC(C)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL250004668008	0	37	-1.0	-47.68	305.03	3.37	-44.31
CC(C)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL250004668008	1	37	-1.0	-47.69	305.09	3.36	-44.33
CN1C=C(C#N)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668009	0	33	-1.0	-57.35	292.27	2.15	-55.20
CN1C=C(C#N)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668009	1	33	-1.0	-57.30	292.20	2.15	-55.15
CC1=CN=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668010	0	34	-1.0	-50.26	282.85	1.61	-48.65
CC1=CN=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668010	1	34	-1.0	-50.25	282.79	1.61	-48.64
CC1=CC=C(C#N)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668011	0	36	-1.0	-58.14	306.03	4.01	-54.13
CC1=CC=C(C#N)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668011	1	36	-1.0	-58.15	306.10	4.00	-54.15
O=C(NC1=CC=CC(Cl)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668012	0	31	-1.0	-60.12	279.62	2.84	-57.28
O=C(NC1=CC=CC(Cl)=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668012	1	31	-1.0	-60.11	279.56	2.84	-57.27
CC1=NC(C)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004668013	0	34	-1.0	-49.06	292.78	1.36	-47.70
CC1=NC(C)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004668013	1	34	-1.0	-49.07	292.84	1.35	-47.72
COC1=NC=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668014	0	34	-1.0	-49.65	287.19	-0.71	-50.36
COC1=NC=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668014	1	34	-1.0	-49.66	287.12	-0.71	-50.37
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=N1	REAL250004668015	0	37	-1.0	-50.45	300.96	2.40	-48.05
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=N1	REAL250004668015	1	37	-1.0	-50.44	301.02	2.39	-48.05
O=C(NC1=CC=C(F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668016	0	31	-1.0	-48.49	268.05	0.89	-47.60
O=C(NC1=CC=C(F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668016	1	31	-1.0	-48.50	267.99	0.90	-47.60
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668017	0	34	-1.0	-50.24	283.17	1.57	-48.67
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668017	1	34	-1.0	-50.19	283.23	1.57	-48.62
CC1=CC(F)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668018	0	35	-1.0	-48.50	294.24	3.48	-45.02
CC1=CC(F)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668018	1	35	-1.0	-48.56	294.30	3.48	-45.08
CC1=C(C#N)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668019	0	36	-1.0	-48.41	303.80	3.87	-44.54
CC1=C(C#N)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668019	1	36	-1.0	-48.43	303.86	3.87	-44.56
O=C(NC1=CC=CN=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668020	0	30	-1.0	-63.74	257.70	1.15	-62.59
O=C(NC1=CC=CN=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668020	1	30	-1.0	-63.75	257.64	1.16	-62.59
O=C(NC1=CSC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668021	0	29	-1.0	-49.54	256.39	1.65	-47.89
O=C(NC1=CSC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668021	1	29	-1.0	-49.59	256.46	1.65	-47.94
CCC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=NO1	REAL250004668022	0	37	-1.0	-52.14	311.13	2.32	-49.82
CCC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=NO1	REAL250004668022	1	37	-1.0	-52.17	311.19	2.32	-49.85
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NC=N1	REAL250004668023	0	34	-1.0	-53.19	289.92	0.70	-52.49
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NC=N1	REAL250004668023	1	34	-1.0	-53.20	289.86	0.70	-52.50
O=C(NC1=CC=CC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668024	0	31	-1.0	-57.58	262.74	2.44	-55.14
O=C(NC1=CC=CC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668024	1	31	-1.0	-57.61	262.68	2.44	-55.17
CCC1=NOC(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668025	0	37	-1.0	-50.40	304.16	1.99	-48.41
CCC1=NOC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668025	1	37	-1.0	-50.39	304.22	1.98	-48.41
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=N1	REAL250004668026	0	34	-1.0	-52.09	283.17	1.58	-50.51
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL250004668026	1	34	-1.0	-52.17	283.24	1.57	-50.60
O=C(NC1=CC=NC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668027	0	31	-1.0	-54.19	278.51	1.37	-52.82
O=C(NC1=CC=NC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668027	1	31	-1.0	-54.15	278.44	1.38	-52.77
CC1=CN=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668028	0	34	-1.0	-51.67	280.35	1.83	-49.84
CC1=CN=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668028	1	34	-1.0	-51.66	280.42	1.83	-49.83
O=C(NC1=CC=NC=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL250004668029	0	31	-1.0	-47.19	267.42	1.07	-46.12
O=C(NC1=CC=NC=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL250004668029	1	31	-1.0	-47.19	267.35	1.08	-46.11
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C(C)C=N1	REAL250004668030	0	37	-1.0	-51.05	301.00	2.41	-48.64
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C(C)C=N1	REAL250004668030	1	37	-1.0	-51.05	301.06	2.40	-48.65
CCC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)SC=N1	REAL250004668031	0	34	-1.0	-47.98	292.32	1.36	-46.62
CCC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)SC=N1	REAL250004668031	1	34	-1.0	-47.95	292.38	1.36	-46.59
CCC1=NC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668032	0	36	-1.0	-51.54	299.68	1.30	-50.24
CCC1=NC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668032	1	36	-1.0	-51.57	299.74	1.30	-50.27
CC1=CSC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668033	0	32	-1.0	-51.44	273.97	2.43	-49.01
CC1=CSC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668033	1	32	-1.0	-51.50	274.04	2.42	-49.08
CC1=CON=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668034	0	31	-1.0	-59.97	265.37	2.01	-57.96
CC1=CON=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668034	1	31	-1.0	-60.00	265.30	2.01	-57.99
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004668035	0	35	-1.0	-53.47	287.92	1.95	-51.52
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004668035	1	35	-1.0	-53.48	287.99	1.94	-51.54
CN1N=CN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668036	0	31	-1.0	-57.11	264.39	3.78	-53.33
CN1N=CN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668036	1	31	-1.0	-57.11	264.32	3.78	-53.33
CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1F	REAL250004668037	0	35	-1.0	-49.24	291.83	3.46	-45.78
CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1F	REAL250004668037	1	35	-1.0	-49.23	291.90	3.45	-45.78
CC1=NOC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668038	1	30	-1.0	-52.34	259.94	-0.21	-52.55
CC1=NOC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668038	1	30	-1.0	-52.33	260.00	-0.22	-52.55
O=C(NC1=CN=C2CCCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668039	0	38	-1.0	-52.00	306.85	2.83	-49.17
O=C(NC1=CN=C2CCCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668039	1	38	-1.0	-51.99	306.91	2.83	-49.16
O=C(NC1=CC=C(C2CC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668040	0	39	-1.0	-53.23	315.65	4.85	-48.38
O=C(NC1=CC=C(C2CC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668040	1	39	-1.0	-53.24	315.72	4.84	-48.40
CC1=CC=CC(F)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668041	0	35	-1.0	-56.18	296.62	3.74	-52.44
CC1=CC=CC(F)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668041	1	35	-1.0	-56.25	296.68	3.74	-52.51
CCN1N=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668042	0	35	-1.0	-52.07	288.64	2.27	-49.80
CCN1N=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668042	1	35	-1.0	-52.06	288.57	2.28	-49.78
CN1C=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C1=O	REAL250004668043	0	34	-1.0	-58.45	287.76	1.36	-57.09
CN1C=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C1=O	REAL250004668043	1	34	-1.0	-58.46	287.69	1.36	-57.10
CC1=NN(C)C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668044	0	38	-1.0	-55.81	307.19	1.39	-54.42
CC1=NN(C)C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668044	1	38	-1.0	-55.82	307.25	1.38	-54.44
O=C(NC1=CN(C(F)F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668045	0	32	-1.0	-54.13	281.32	0.63	-53.50
O=C(NC1=CN(C(F)F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668045	1	32	-1.0	-54.12	281.25	0.64	-53.48
CCC1=NN(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668046	0	38	-1.0	-50.35	310.86	1.85	-48.50
CCC1=NN(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668046	1	38	-1.0	-50.38	310.93	1.84	-48.54
O=C(NC1=CC=NC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668047	0	31	-1.0	-51.77	261.57	0.97	-50.80
O=C(NC1=CC=NC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668047	1	31	-1.0	-51.78	261.63	0.96	-50.82
CC1=CC=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668048	0	34	-1.0	-54.22	279.40	1.76	-52.46
CC1=CC=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668048	1	34	-1.0	-54.21	279.47	1.75	-52.46
CC1=CC(C)=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668049	0	37	-1.0	-58.03	305.79	3.70	-54.33
CC1=CC(C)=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668049	1	37	-1.0	-58.02	305.85	3.70	-54.32
O=C(NC1=CC=CC(F)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668050	0	31	-1.0	-62.72	269.17	2.38	-60.34
O=C(NC1=CC=CC(F)=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668050	1	31	-1.0	-62.70	269.11	2.39	-60.31
CN1N=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668051	0	32	-1.0	-52.10	266.83	1.40	-50.70
CN1N=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668051	1	32	-1.0	-52.09	266.77	1.41	-50.68
CC1=NN=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668052	0	33	-1.0	-49.46	275.39	0.76	-48.70
CC1=NN=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668052	1	33	-1.0	-49.43	275.45	0.75	-48.68
CC1=CC=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668053	0	34	-1.0	-57.28	284.16	3.12	-54.16
CC1=CC=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668053	1	34	-1.0	-57.25	284.23	3.11	-54.14
CC1=CC=CN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668054	0	34	-1.0	-57.86	280.56	3.22	-54.64
CC1=CC=CN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668054	1	34	-1.0	-57.83	280.50	3.23	-54.60
CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668055	0	34	-1.0	-58.21	284.29	3.03	-55.18
CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668055	1	34	-1.0	-58.22	284.36	3.03	-55.19
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL250004668056	0	34	-1.0	-57.80	284.20	3.07	-54.73
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL250004668056	1	34	-1.0	-57.85	284.14	3.08	-54.77
O=C(NC1=CC=C(F)C=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668057	0	31	-1.0	-56.18	269.18	2.50	-53.68
O=C(NC1=CC=C(F)C=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668057	1	31	-1.0	-56.14	269.12	2.50	-53.64
COC1=CC=CN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668058	0	35	-1.0	-57.33	291.27	1.85	-55.48
COC1=CC=CN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668058	1	35	-1.0	-57.33	291.21	1.86	-55.47
O=C(NC1=NN2C=CC=CC2=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668059	0	34	-1.0	-63.87	290.69	5.06	-58.81
O=C(NC1=NN2C=CC=CC2=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668059	1	34	-1.0	-63.84	290.63	5.07	-58.77
O=C(NC1=CSC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668061	0	29	-1.0	-48.29	273.74	2.31	-45.98
O=C(NC1=CSC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668061	1	29	-1.0	-48.27	273.80	2.30	-45.97
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=N1	REAL250004668062	0	34	-1.0	-62.24	290.00	-0.62	-62.86
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=N1	REAL250004668062	1	34	-1.0	-62.25	289.94	-0.61	-62.86
O=C(NC1=C(Cl)SC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668063	0	29	-1.0	-46.12	270.68	2.29	-43.83
O=C(NC1=C(Cl)SC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668063	1	29	-1.0	-46.14	270.74	2.29	-43.85
CC[C@H](NC(=O)NC1(C2=N[N-]N=N2)CCC1)C(F)(F)F	REAL250004668064	0	34	-1.0	-51.75	288.92	1.87	-49.88
CC[C@H](NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)(F)F	REAL250004668064	1	34	-1.0	-51.77	288.98	1.87	-49.90
O=C(NC1=CC=C(Cl)C=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668065	0	31	-1.0	-55.52	279.51	2.92	-52.60
O=C(NC1=CC=C(Cl)C=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668065	1	31	-1.0	-55.52	279.45	2.93	-52.59
CC1=CN=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668066	0	33	-1.0	-56.18	274.53	0.68	-55.50
CC1=CN=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668066	1	33	-1.0	-56.14	274.59	0.67	-55.47
CC1=NC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668067	0	33	-1.0	-56.61	279.37	2.18	-54.43
CC1=NC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668067	1	33	-1.0	-56.59	279.44	2.18	-54.41
O=C(NC1=C2NC=CC2=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668068	0	36	-1.0	-55.06	297.88	2.76	-52.30
O=C(NC1=C2NC=CC2=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668068	1	36	-1.0	-55.07	297.82	2.76	-52.31
O=C(NC1=CC=NC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668069	0	30	-1.0	-56.25	257.60	2.25	-54.00
O=C(NC1=CC=NC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668069	1	30	-1.0	-56.22	257.54	2.25	-53.97
COC1=NC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668070	0	34	-1.0	-62.66	289.77	-0.84	-63.50
COC1=NC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668070	1	34	-1.0	-62.62	289.71	-0.83	-63.45
CC1=C(C)SC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668071	0	34	-1.0	-47.92	291.53	2.20	-45.72
CC1=C(C)SC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668071	1	34	-1.0	-47.92	291.60	2.19	-45.73
CC1=CSC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668072	0	31	-1.0	-46.88	272.69	1.49	-45.39
CC1=CSC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668072	1	31	-1.0	-46.84	272.75	1.49	-45.35
COC1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004668073	0	32	-1.0	-56.62	285.55	0.86	-55.76
COC1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004668073	1	32	-1.0	-56.58	285.49	0.87	-55.71
N#CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668074	0	32	-1.0	-48.50	282.34	1.28	-47.22
N#CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668074	1	32	-1.0	-48.46	282.27	1.29	-47.17
CN1N=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668075	0	31	-1.0	-53.61	262.10	0.04	-53.57
CN1N=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668075	1	31	-1.0	-53.66	262.03	0.04	-53.62
CCC1=NN(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668076	0	38	-1.0	-50.35	310.86	1.85	-48.50
CCC1=NN(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668076	1	38	-1.0	-50.38	310.93	1.84	-48.54
O=C(NC1=CC=C2C=CNC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668077	0	36	-1.0	-56.59	298.09	2.75	-53.84
O=C(NC1=CC=C2C=CNC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668077	1	36	-1.0	-56.56	298.15	2.74	-53.82
CC(C)N1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668078	0	38	-1.0	-52.19	308.73	2.85	-49.34
CC(C)N1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668078	1	38	-1.0	-52.18	308.67	2.86	-49.32
O=C(NC1=CN=CC(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668079	0	31	-1.0	-50.34	267.82	1.03	-49.31
O=C(NC1=CN=CC(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668079	1	31	-1.0	-50.33	267.76	1.04	-49.29
COC1=NN(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668080	0	36	-1.0	-48.72	301.63	-1.58	-50.30
COC1=NN(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668080	1	36	-1.0	-48.71	301.57	-1.57	-50.28
O=C(NC1=CC2=NC=CN2C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668081	0	35	-1.0	-54.26	296.28	3.31	-50.95
O=C(NC1=CC2=NC=CN2C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668081	1	35	-1.0	-54.27	296.34	3.30	-50.97
CC1=CC=NC(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668082	0	37	-1.0	-51.07	300.72	2.56	-48.51
CC1=CC=NC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668082	1	37	-1.0	-51.08	300.79	2.55	-48.53
COC1=CC=NN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668083	0	34	-1.0	-61.85	286.54	0.58	-61.27
COC1=CC=NN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668083	1	34	-1.0	-61.81	286.48	0.59	-61.22
O=C(NC1=NSN=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668084	0	27	-1.0	-55.31	247.01	0.05	-55.26
O=C(NC1=NSN=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668084	1	27	-1.0	-55.32	246.94	0.06	-55.26
O=C(NC(C(F)F)C1CC1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668085	0	35	-1.0	-50.59	286.53	2.14	-48.45
O=C(NC(C(F)F)C1CC1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668085	1	35	-1.0	-50.59	286.60	2.13	-48.46
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL250004668086	0	35	-1.0	-57.29	293.84	-0.57	-57.86
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=N1	REAL250004668086	1	35	-1.0	-57.30	293.78	-0.57	-57.87
O=C(NC1=NN2C=CC=CC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668087	0	35	-1.0	-56.71	293.38	3.48	-53.23
O=C(NC1=NN2C=CC=CC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668087	1	35	-1.0	-56.72	293.31	3.48	-53.24
O=C(NC1=CC(Cl)=CC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668088	0	31	-1.0	-53.10	279.52	2.94	-50.16
O=C(NC1=CC(Cl)=CC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668088	1	31	-1.0	-53.05	279.46	2.95	-50.10
CN1C=NN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668089	0	31	-1.0	-65.93	264.03	4.43	-61.50
CN1C=NN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668089	1	31	-1.0	-65.88	263.96	4.44	-61.44
CCN1N=NN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668090	0	33	-1.0	-59.75	281.28	2.19	-57.56
CCN1N=NN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668090	1	33	-1.0	-59.75	281.22	2.19	-57.56
CC1=NSC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668091	0	31	-1.0	-52.21	273.21	1.15	-51.06
CC1=NSC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668091	1	31	-1.0	-52.21	273.27	1.14	-51.07
O=C(NC1=CN2N=CN=C2C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668092	0	34	-1.0	-52.00	291.30	3.17	-48.83
O=C(NC1=CN2N=CN=C2C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668092	1	34	-1.0	-52.00	291.24	3.18	-48.82
N#CCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668093	0	36	-1.0	-57.73	308.95	3.88	-53.85
N#CCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668093	1	36	-1.0	-57.71	309.02	3.87	-53.84
O=C(NC1=CC=C2CCCC2=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668094	0	38	-1.0	-60.13	308.23	4.28	-55.85
O=C(NC1=CC=C2CCCC2=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668094	1	38	-1.0	-60.12	308.30	4.27	-55.85
CN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC1=O	REAL250004668095	0	35	-1.0	-56.05	294.20	1.53	-54.52
CN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC1=O	REAL250004668095	1	35	-1.0	-56.04	294.27	1.53	-54.51
O=C(NC1=CC=CC(C2CC2)=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668096	0	38	-1.0	-59.88	312.45	4.45	-55.43
O=C(NC1=CC=CC(C2CC2)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668096	1	38	-1.0	-59.90	312.52	4.44	-55.46
O=C(NC1=CC=C(F)N=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL250004668097	0	31	-1.0	-45.22	272.97	0.90	-44.32
O=C(NC1=CC=C(F)N=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL250004668097	1	31	-1.0	-45.17	272.90	0.90	-44.27
CCC1=NOC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668098	1	33	-1.0	-52.13	281.42	0.39	-51.74
CCC1=NOC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668098	1	33	-1.0	-52.15	281.49	0.38	-51.77
O=C(NC1=CC2=C(C=N1)CCC2)NC1(C2=N[N-]N=N2)CCC1	REAL250004668099	0	38	-1.0	-57.96	308.13	4.35	-53.61
O=C(NC1=CC2=C(C=N1)CCC2)NC1(C2=NN=N[N-]2)CCC1	REAL250004668099	1	38	-1.0	-57.97	308.19	4.34	-53.63
CC1=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004668100	0	34	-1.0	-60.12	286.43	3.50	-56.62
CC1=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004668100	1	34	-1.0	-60.10	286.50	3.49	-56.61
CC1=CN=C(C)N=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668101	0	36	-1.0	-56.98	297.46	2.95	-54.03
CC1=CN=C(C)N=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668101	1	36	-1.0	-56.94	297.53	2.94	-54.00
CN1C=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668102	0	31	-1.0	-58.06	265.99	3.84	-54.22
CN1C=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668102	1	31	-1.0	-58.03	265.92	3.85	-54.18
O=C(NC1=CC(C2CC2)=CC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668103	0	38	-1.0	-56.43	312.15	4.54	-51.89
O=C(NC1=CC(C2CC2)=CC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668103	1	38	-1.0	-56.45	312.21	4.54	-51.91
COC1=CN=CN=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668104	0	34	-1.0	-54.79	286.35	1.62	-53.17
COC1=CN=CN=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668104	1	34	-1.0	-54.79	286.29	1.62	-53.17
COC1=NN=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668105	0	34	-1.0	-46.77	287.96	-1.74	-48.51
COC1=NN=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668105	1	34	-1.0	-46.76	287.90	-1.73	-48.49
O=C(NC1=CC=NN=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668106	0	30	-1.0	-48.90	256.39	-0.07	-48.97
O=C(NC1=CC=NN=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668106	1	30	-1.0	-48.88	256.32	-0.07	-48.95
CC(C)C1=NOC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668107	1	36	-1.0	-52.28	302.24	0.86	-51.42
CC(C)C1=NOC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668107	1	36	-1.0	-52.28	302.31	0.85	-51.43
CCC1=CSC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668108	0	34	-1.0	-46.69	293.83	2.28	-44.41
CCC1=CSC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668108	1	34	-1.0	-46.67	293.90	2.27	-44.40
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=NN1C	REAL250004668109	0	34	-1.0	-66.28	285.11	0.96	-65.32
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=NN1C	REAL250004668109	1	34	-1.0	-66.29	285.18	0.95	-65.34
CC1=CC(C#N)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668110	0	36	-1.0	-57.86	308.97	3.76	-54.10
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CN1N=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC1=O	REAL250004668111	1	34	-1.0	-58.67	289.77	0.95	-57.72
CCC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004668112	0	38	-1.0	-53.33	309.97	2.70	-50.63
CCC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004668112	1	38	-1.0	-53.36	310.03	2.69	-50.67
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C[C@H](NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)(F)F	REAL250004668113	1	31	-1.0	-46.87	270.75	1.06	-45.81
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CN1C=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC1=O	REAL250004668114	1	34	-1.0	-54.50	288.02	2.72	-51.78
CCN1N=C(C)N=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668115	0	37	-1.0	-57.94	308.14	4.53	-53.41
CCN1N=C(C)N=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668115	1	37	-1.0	-57.90	308.20	4.53	-53.37
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CC(C)N1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668118	0	38	-1.0	-56.33	308.96	1.86	-54.47
CC(C)N1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668118	1	38	-1.0	-56.33	308.89	1.87	-54.46
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CC(C)(NC(=O)NC1(C2=N[N-]N=N2)CCC1)C(F)(F)F	REAL250004668120	0	34	-1.0	-44.59	282.54	1.42	-43.17
CC(C)(NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)(F)F	REAL250004668120	1	34	-1.0	-44.55	282.60	1.43	-43.12
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CC1=NOC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668122	0	31	-1.0	-48.38	263.00	0.78	-47.60
CC1=NOC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668122	1	31	-1.0	-48.36	263.07	0.78	-47.58
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N#CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)SC=C1	REAL250004668123	1	30	-1.0	-44.18	276.30	2.24	-41.94
CCC1=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C	REAL250004668124	0	37	-1.0	-59.37	307.93	4.10	-55.27
CCC1=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C	REAL250004668124	1	37	-1.0	-59.39	307.99	4.10	-55.29
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CCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668126	0	35	-1.0	-52.57	290.06	2.34	-50.23
CCN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668126	1	35	-1.0	-52.58	289.99	2.35	-50.23
CCN1N=CC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668127	0	38	-1.0	-50.06	304.62	2.75	-47.31
CCN1N=CC(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668127	1	38	-1.0	-50.03	304.57	2.75	-47.28
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N(C)N=C1	REAL250004668128	0	35	-1.0	-48.39	282.78	1.77	-46.62
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N(C)N=C1	REAL250004668128	1	35	-1.0	-48.38	282.73	1.76	-46.62
COC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668129	0	35	-1.0	-56.67	294.95	1.19	-55.48
COC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668129	1	35	-1.0	-56.66	294.88	1.20	-55.46
COC1=NNC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668130	0	33	-1.0	-53.49	278.38	-1.95	-55.44
COC1=NNC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668130	1	33	-1.0	-53.50	278.44	-1.95	-55.45
O=C(NC1=CN(CCF)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668131	0	35	-1.0	-55.07	296.84	1.47	-53.60
O=C(NC1=CN(CCF)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668131	1	35	-1.0	-55.04	296.77	1.48	-53.56
O=C(NC1=CC=NC(F)=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL250004668132	0	31	-1.0	-45.07	272.97	1.00	-44.07
O=C(NC1=CC=NC(F)=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL250004668132	1	31	-1.0	-45.08	272.90	1.01	-44.07
O=C(NC1=CN2C=CN=C2N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668133	0	34	-1.0	-56.96	291.29	3.80	-53.16
O=C(NC1=CN2C=CN=C2N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668133	1	34	-1.0	-56.93	291.22	3.81	-53.12
CC1=CN(C)N=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668134	0	35	-1.0	-60.71	292.08	2.38	-58.33
CC1=CN(C)N=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668134	1	35	-1.0	-60.73	292.02	2.38	-58.35
O=C(NC1=CN2N=CC=C2N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668135	0	34	-1.0	-53.11	291.59	1.60	-51.51
O=C(NC1=CN2N=CC=C2N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668135	1	34	-1.0	-53.16	291.53	1.60	-51.56
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CS1	REAL250004668136	0	32	-1.0	-50.11	278.27	2.46	-47.65
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CS1	REAL250004668136	1	32	-1.0	-50.11	278.34	2.45	-47.66
N#CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL250004668137	0	32	-1.0	-56.38	283.58	2.83	-53.55
N#CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL250004668137	1	32	-1.0	-56.37	283.52	2.83	-53.54
O=C(NC1=NOC(C2CC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668138	0	35	-1.0	-48.16	294.37	3.52	-44.64
O=C(NC1=NOC(C2CC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668138	1	35	-1.0	-48.17	294.44	3.51	-44.66
O=C(NC1=CN=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668139	0	31	-1.0	-49.39	278.16	1.46	-47.93
O=C(NC1=CN=CC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668139	1	31	-1.0	-49.36	278.10	1.47	-47.89
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NC=C1C#N	REAL250004668140	0	35	-1.0	-55.73	302.81	3.35	-52.38
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NC=C1C#N	REAL250004668140	1	35	-1.0	-55.76	302.87	3.34	-52.42
N#CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL250004668141	0	32	-1.0	-57.43	282.62	1.25	-56.18
N#CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=N1	REAL250004668141	1	32	-1.0	-57.43	282.56	1.25	-56.18
COC1=CN=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668142	0	35	-1.0	-53.15	290.99	0.22	-52.93
COC1=CN=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668142	1	35	-1.0	-53.17	290.92	0.23	-52.94
CC1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=C1	REAL250004668143	0	37	-1.0	-58.13	302.03	3.86	-54.27
CC1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=C1	REAL250004668143	1	37	-1.0	-58.15	301.97	3.87	-54.28
N#CCC1=CC=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668144	0	35	-1.0	-63.93	305.00	3.61	-60.32
N#CCC1=CC=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668144	1	35	-1.0	-63.94	305.06	3.60	-60.34
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CS1	REAL250004668145	0	32	-1.0	-49.92	274.32	2.52	-47.40
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CS1	REAL250004668145	1	32	-1.0	-49.91	274.38	2.51	-47.40
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NC(C)=N1	REAL250004668146	0	36	-1.0	-56.79	301.03	2.80	-53.99
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NC(C)=N1	REAL250004668146	1	36	-1.0	-56.82	301.09	2.79	-54.03
O=C(NC1=CC=C2OC=CC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668147	0	35	-1.0	-54.82	294.12	3.04	-51.78
O=C(NC1=CC=C2OC=CC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668147	1	35	-1.0	-54.86	294.19	3.03	-51.83
O=C(NC1=CC=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668148	0	28	-1.0	-51.61	251.52	0.55	-51.06
O=C(NC1=CC=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668148	1	28	-1.0	-51.57	251.46	0.55	-51.02
C=CC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668149	0	36	-1.0	-52.59	294.74	4.00	-48.59
C=CC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668149	1	36	-1.0	-52.59	294.81	3.99	-48.60
CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL250004668150	0	32	-1.0	-56.79	268.71	0.48	-56.31
CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL250004668150	1	32	-1.0	-56.82	268.64	0.49	-56.33
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O=C(NC1=NN(CCF)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668151	1	35	-1.0	-51.00	296.58	2.48	-48.52
CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL250004668152	0	37	-1.0	-57.68	305.68	3.84	-53.84
CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL250004668152	1	37	-1.0	-57.68	305.62	3.85	-53.83
N#CCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668153	0	35	-1.0	-68.69	304.57	3.54	-65.15
N#CCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668153	1	35	-1.0	-68.67	304.63	3.53	-65.14
CC(NC(=O)NC1(C2=N[N-]N=N2)CCC1)C(F)F	REAL250004668154	0	31	-1.0	-52.88	265.29	0.90	-51.98
CC(NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)F	REAL250004668154	1	31	-1.0	-52.91	265.36	0.89	-52.02
COC1=NN(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668155	0	36	-1.0	-56.06	299.81	-0.68	-56.74
COC1=NN(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668155	1	36	-1.0	-56.01	299.75	-0.67	-56.68
COC1=NSC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668156	0	32	-1.0	-46.50	281.71	-1.43	-47.93
COC1=NSC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668156	1	32	-1.0	-46.49	281.64	-1.42	-47.91
CN1N=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668157	0	30	-1.0	-57.07	260.95	1.01	-56.06
CN1N=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668157	1	30	-1.0	-57.08	260.88	1.02	-56.06
CCC(NC(=O)NC1(C2=N[N-]N=N2)CCC1)C(F)F	REAL250004668158	0	34	-1.0	-47.59	285.33	1.86	-45.73
CCC(NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(F)F	REAL250004668158	1	34	-1.0	-47.62	285.39	1.86	-45.76
O=C(NC1=CSN=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668159	0	28	-1.0	-48.91	251.27	0.41	-48.50
O=C(NC1=CSN=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668159	1	28	-1.0	-48.90	251.21	0.41	-48.49
CN1N=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL250004668160	0	32	-1.0	-50.36	284.45	0.85	-49.51
CN1N=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL250004668160	1	32	-1.0	-50.37	284.39	0.85	-49.52
O=C(NC1=CSC=C1Cl)NC1(C2=N[N-]N=N2)CCC1	REAL250004668161	0	29	-1.0	-47.25	270.47	2.25	-45.00
O=C(NC1=CSC=C1Cl)NC1(C2=NN=N[N-]2)CCC1	REAL250004668161	1	29	-1.0	-47.24	270.54	2.24	-45.00
CC1=CON=C1CNC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004668162	0	34	-1.0	-54.18	288.32	0.80	-53.38
CC1=CON=C1CNC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004668162	1	34	-1.0	-54.18	288.39	0.79	-53.39
CC1=NC(C)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004668163	0	34	-1.0	-49.06	292.78	1.36	-47.70
CC1=NC(C)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004668163	1	34	-1.0	-49.07	292.84	1.35	-47.72
COC1=NN(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL250004668164	0	36	-1.0	-56.06	299.81	-0.68	-56.74
COC1=NN(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL250004668164	1	36	-1.0	-56.01	299.75	-0.67	-56.68
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CC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668277	0	32	-1.0	-40.44	289.54	-0.12	-40.56
CC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668277	1	32	-1.0	-40.41	289.60	-0.10	-40.51
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C=C1Cl	REAL250004668278	0	27	-1.0	-33.71	270.14	0.20	-33.51
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C=C1Cl	REAL250004668278	1	27	-1.0	-33.68	270.20	0.22	-33.46
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL250004668279	0	27	-1.0	-40.69	265.78	-0.27	-40.96
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL250004668279	1	27	-1.0	-40.66	265.84	-0.26	-40.92
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C(F)=C1	REAL250004668280	0	27	-1.0	-38.65	261.75	-0.39	-39.04
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C(F)=C1	REAL250004668280	1	27	-1.0	-38.58	261.80	-0.38	-38.96
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C(Cl)=C1	REAL250004668281	0	27	-1.0	-34.26	271.33	0.07	-34.19
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C(Cl)=C1	REAL250004668281	1	27	-1.0	-34.27	271.38	0.08	-34.19
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(C)=C1	REAL250004668282	0	33	-1.0	-37.26	291.83	0.84	-36.42
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(C)=C1	REAL250004668282	1	33	-1.0	-37.30	291.89	0.85	-36.45
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=C1F	REAL250004668283	0	27	-1.0	-33.87	271.40	0.12	-33.75
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C=C1F	REAL250004668283	1	27	-1.0	-33.88	271.45	0.14	-33.74
CC1=CC=C(F)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668284	0	30	-1.0	-38.73	272.96	0.42	-38.31
CC1=CC=C(F)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668284	1	30	-1.0	-38.68	273.02	0.43	-38.25
CCC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668285	0	33	-1.0	-36.88	291.62	0.94	-35.94
CCC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668285	1	33	-1.0	-36.83	291.68	0.96	-35.87
COC1=CC=C(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668286	0	34	-1.0	-38.62	298.96	-0.44	-39.06
COC1=CC=C(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668286	1	34	-1.0	-38.58	299.02	-0.42	-39.00
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004668287	0	30	-1.0	-39.04	275.44	0.21	-38.83
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004668287	1	30	-1.0	-38.98	275.50	0.22	-38.76
CSC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668288	0	31	-1.0	-38.23	287.00	0.65	-37.58
CSC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668288	1	31	-1.0	-38.24	287.06	0.66	-37.58
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004668289	0	30	-1.0	-36.05	275.24	0.28	-35.77
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004668289	1	30	-1.0	-36.04	275.30	0.30	-35.74
N#CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668290	0	28	-1.0	-41.52	269.89	-0.12	-41.64
N#CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668290	1	28	-1.0	-41.53	269.94	-0.10	-41.63
CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668291	0	34	-1.0	-38.23	299.42	-0.17	-38.40
CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668291	1	34	-1.0	-38.27	299.48	-0.15	-38.42
CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668292	0	33	-1.0	-36.77	291.92	0.93	-35.84
CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668292	1	33	-1.0	-36.73	291.98	0.94	-35.79
CC1=CC=C(F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668293	0	30	-1.0	-36.67	276.07	0.28	-36.39
CC1=CC=C(F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668293	1	30	-1.0	-36.70	276.13	0.29	-36.41
CC1=CC=C(Cl)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668294	0	30	-1.0	-37.80	283.29	0.86	-36.94
CC1=CC=C(Cl)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668294	1	30	-1.0	-37.82	283.34	0.87	-36.95
CC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668295	0	33	-1.0	-37.02	286.29	1.16	-35.86
CC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668295	1	33	-1.0	-37.00	286.35	1.17	-35.83
C#CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668296	0	29	-1.0	-40.21	276.30	0.68	-39.53
C#CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668296	1	29	-1.0	-40.21	276.35	0.70	-39.51
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004668297	0	26	-1.0	-35.92	245.06	-1.31	-37.23
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004668297	1	26	-1.0	-35.93	245.12	-1.29	-37.22
N#CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)SC=C1	REAL250004668298	0	25	-1.0	-35.88	259.11	-0.97	-36.85
N#CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)SC=C1	REAL250004668298	1	25	-1.0	-35.84	259.16	-0.96	-36.80
CC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668299	0	30	-1.0	-37.06	266.53	0.35	-36.71
CC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668299	1	30	-1.0	-37.05	266.59	0.36	-36.69
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL250004668300	0	33	-1.0	-37.15	287.94	1.02	-36.13
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL250004668300	1	33	-1.0	-37.14	287.99	1.03	-36.11
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668301	0	30	-1.0	-37.06	270.14	0.18	-36.88
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668301	1	30	-1.0	-37.00	270.20	0.19	-36.81
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(Cl)=CC=C1F	REAL250004668302	0	27	-1.0	-36.10	271.39	0.12	-35.98
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(Cl)=CC=C1F	REAL250004668302	1	27	-1.0	-36.10	271.45	0.14	-35.96
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=CC=CN=C21	REAL250004668303	0	32	-1.0	-41.28	289.35	0.05	-41.23
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=CC=CN=C21	REAL250004668303	1	32	-1.0	-41.27	289.30	0.04	-41.23
CC(C)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668304	0	36	-1.0	-37.53	308.94	1.42	-36.11
CC(C)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668304	1	36	-1.0	-37.55	309.00	1.43	-36.12
CCCC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668305	0	36	-1.0	-36.66	313.12	1.72	-34.94
CCCC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668305	1	36	-1.0	-36.66	313.18	1.73	-34.93
NC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668306	0	31	-1.0	-49.16	283.28	-3.71	-52.87
NC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668306	1	31	-1.0	-49.13	283.33	-3.69	-52.82
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2CCCC2=C1	REAL250004668307	0	34	-1.0	-38.06	294.55	1.40	-36.66
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2CCCC2=C1	REAL250004668307	1	34	-1.0	-38.09	294.60	1.41	-36.68
CCC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668308	0	33	-1.0	-36.77	286.77	1.12	-35.65
CCC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668308	1	33	-1.0	-36.77	286.83	1.13	-35.64
CC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668309	0	30	-1.0	-35.69	272.94	0.42	-35.27
CC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668309	1	30	-1.0	-35.74	273.00	0.43	-35.31
CSC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668310	0	31	-1.0	-37.62	288.93	0.52	-37.10
CSC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668310	1	31	-1.0	-37.59	288.99	0.54	-37.05
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(F)=CC(F)=C1	REAL250004668311	0	27	-1.0	-35.15	261.56	-0.36	-35.51
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(F)=CC(F)=C1	REAL250004668311	1	27	-1.0	-35.15	261.62	-0.35	-35.50
COC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668312	0	31	-1.0	-36.09	283.98	-1.04	-37.13
COC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668312	1	31	-1.0	-36.06	284.03	-1.02	-37.08
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(Cl)=C1F	REAL250004668313	0	27	-1.0	-35.35	270.84	0.10	-35.25
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(Cl)=C1F	REAL250004668313	1	27	-1.0	-35.39	270.90	0.12	-35.27
COCC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668314	0	34	-1.0	-36.38	298.89	-0.48	-36.86
COCC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668314	1	34	-1.0	-36.39	298.94	-0.46	-36.85
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668315	0	30	-1.0	-36.53	275.93	-3.76	-40.29
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668315	1	30	-1.0	-36.49	275.87	-3.77	-40.26
CN(C)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668316	0	34	-1.0	-37.74	297.05	-0.65	-38.39
CN(C)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668316	1	34	-1.0	-37.75	297.11	-0.64	-38.39
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC2=CC=CC=C2N=C1	REAL250004668317	0	32	-1.0	-38.18	290.13	-0.08	-38.26
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC2=CC=CC=C2N=C1	REAL250004668317	1	32	-1.0	-38.16	290.07	-0.09	-38.25
COC1=NC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668318	0	30	-1.0	-37.29	275.22	-3.64	-40.93
COC1=NC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668318	1	30	-1.0	-37.27	275.16	-3.66	-40.93
NC(=O)CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668319	0	31	-1.0	-52.37	287.97	-5.63	-58.00
NC(=O)CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668319	1	31	-1.0	-52.36	287.91	-5.65	-58.01
COCCN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668320	0	34	-1.0	-40.45	306.16	-2.82	-43.27
COCCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668320	1	34	-1.0	-40.45	306.10	-2.83	-43.28
CCOC1=NC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668321	0	33	-1.0	-36.97	296.29	-2.70	-39.67
CCOC1=NC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668321	1	33	-1.0	-36.97	296.24	-2.71	-39.68
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC2=NC=CN=C2C=C1	REAL250004668322	0	31	-1.0	-39.79	285.20	-2.05	-41.84
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC2=NC=CN=C2C=C1	REAL250004668322	1	31	-1.0	-39.78	285.13	-2.07	-41.85
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004668323	0	34	-1.0	-38.22	298.57	-0.47	-38.69
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004668323	1	34	-1.0	-38.25	298.63	-0.45	-38.70
CCOC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668324	0	34	-1.0	-40.37	300.09	-0.28	-40.65
CCOC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668324	1	34	-1.0	-40.35	300.15	-0.26	-40.61
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(F)=C1F	REAL250004668325	0	27	-1.0	-35.88	260.96	-0.33	-36.21
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(F)=C1F	REAL250004668325	1	27	-1.0	-35.92	261.01	-0.32	-36.24
CC1=CC=C2CCN(C(=O)C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004668326	0	34	-1.0	-39.62	291.48	2.31	-37.31
CC1=CC=C2CCN(C(=O)C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004668326	1	34	-1.0	-39.64	291.54	2.33	-37.31
COC1=CC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668327	0	30	-1.0	-39.46	272.80	-2.91	-42.37
COC1=CC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668327	1	30	-1.0	-39.43	272.86	-2.90	-42.33
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2OCCC2=C1	REAL250004668328	0	32	-1.0	-38.00	284.66	-0.66	-38.66
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2OCCC2=C1	REAL250004668328	1	32	-1.0	-38.00	284.72	-0.64	-38.64
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C(F)F)=C1	REAL250004668329	0	30	-1.0	-37.38	281.20	0.36	-37.02
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C(F)F)=C1	REAL250004668329	1	30	-1.0	-37.40	281.26	0.37	-37.03
CN1C=CC2=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL250004668330	0	34	-1.0	-40.49	301.99	1.27	-39.22
CN1C=CC2=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL250004668330	1	34	-1.0	-40.48	302.05	1.28	-39.20
N#CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004668331	0	28	-1.0	-41.16	275.80	-0.07	-41.23
N#CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004668331	1	28	-1.0	-41.15	275.86	-0.06	-41.21
CC(C)(C)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004668332	0	35	-1.0	-34.99	306.29	0.61	-34.38
CC(C)(C)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004668332	1	35	-1.0	-34.99	306.23	0.60	-34.39
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CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004668336	0	30	-1.0	-35.88	275.45	0.21	-35.67
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004668336	1	30	-1.0	-35.89	275.51	0.22	-35.67
CC1=CC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668337	0	29	-1.0	-39.17	261.70	-1.48	-40.65
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CC(C)N1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668338	0	33	-1.0	-36.59	291.10	-0.22	-36.81
CC(C)N1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668338	1	33	-1.0	-36.62	291.04	-0.24	-36.86
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CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C#N	REAL250004668339	1	31	-1.0	-38.36	287.27	0.49	-37.87
CC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668340	0	30	-1.0	-37.45	271.10	-1.26	-38.71
CC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668340	1	30	-1.0	-37.42	271.16	-1.24	-38.66
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CC1=CC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C2N1	REAL250004668344	0	34	-1.0	-41.79	302.43	0.10	-41.69
CC1=CC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C2N1	REAL250004668344	1	34	-1.0	-41.79	302.49	0.12	-41.67
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CC1=NOC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668346	0	29	-1.0	-37.55	271.75	-1.73	-39.28
CC1=NOC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668346	1	29	-1.0	-37.51	271.80	-1.71	-39.22
CCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CC1=O	REAL250004668347	0	33	-1.0	-42.11	298.45	-0.76	-42.87
CCN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CC1=O	REAL250004668347	1	33	-1.0	-42.09	298.51	-0.74	-42.83
COC1=CC(C)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668348	0	34	-1.0	-38.36	298.97	-0.43	-38.79
COC1=CC(C)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668348	1	34	-1.0	-38.27	299.02	-0.42	-38.69
CC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668349	0	28	-1.0	-37.18	260.31	-2.52	-39.70
CC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668349	1	28	-1.0	-37.17	260.37	-2.50	-39.67
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C(C2CC2)N=C1	REAL250004668350	0	32	-1.0	-37.37	290.86	-0.83	-38.20
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C(C2CC2)N=C1	REAL250004668350	1	32	-1.0	-37.36	290.91	-0.82	-38.18
CCC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668351	0	33	-1.0	-37.27	292.52	-0.50	-37.77
CCC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668351	1	33	-1.0	-37.29	292.58	-0.49	-37.78
CN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668352	0	27	-1.0	-39.58	250.82	-1.75	-41.33
CN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668352	1	27	-1.0	-39.58	250.76	-1.77	-41.35
CC1=C(F)C=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668353	0	30	-1.0	-35.03	271.84	0.38	-34.65
CC1=C(F)C=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668353	1	30	-1.0	-35.05	271.89	0.40	-34.65
CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL250004668354	0	30	-1.0	-36.14	282.44	0.72	-35.42
CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL250004668354	1	30	-1.0	-36.15	282.50	0.73	-35.42
CC1=NC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668355	0	29	-1.0	-36.37	261.66	-1.44	-37.81
CC1=NC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668355	1	29	-1.0	-36.38	261.72	-1.43	-37.81
CC(C)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NO1	REAL250004668356	0	32	-1.0	-35.03	287.35	0.11	-34.92
CC(C)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004668356	1	32	-1.0	-35.04	287.41	0.13	-34.91
CC1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668357	1	26	-1.0	-35.13	254.98	-1.78	-36.91
CC1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668357	1	26	-1.0	-35.12	255.04	-1.76	-36.88
CC1=CC=C(C#N)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668358	0	31	-1.0	-40.95	287.37	0.72	-40.23
CC1=CC=C(C#N)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668358	1	31	-1.0	-40.96	287.43	0.75	-40.21
CC1=CN=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668359	0	29	-1.0	-36.45	265.16	-1.59	-38.04
CC1=CN=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668359	1	29	-1.0	-36.46	265.11	-1.61	-38.07
CSC1=CC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668360	0	30	-1.0	-39.28	282.46	-1.19	-40.47
CSC1=CC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668360	1	30	-1.0	-39.33	282.40	-1.20	-40.53
CN1C=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004668361	0	30	-1.0	-52.75	275.69	-0.88	-53.63
CN1C=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004668361	1	30	-1.0	-52.79	275.75	-0.86	-53.65
N#CC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668362	0	28	-1.0	-35.30	273.62	0.01	-35.29
N#CC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668362	1	28	-1.0	-35.28	273.68	0.03	-35.25
COCCN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668363	0	34	-1.0	-38.66	306.02	-1.85	-40.51
COCCN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668363	1	34	-1.0	-38.71	305.97	-1.87	-40.58
CC1=CC=CC2=C1N(C(=O)C(=O)NCC1=N[N-]N=N1)CC2	REAL250004668364	0	34	-1.0	-38.14	282.79	2.10	-36.04
CC1=CC=CC2=C1N(C(=O)C(=O)NCC1=NN=N[N-]1)CC2	REAL250004668364	1	34	-1.0	-38.12	282.84	2.11	-36.01
COC1=NC=C(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668365	0	33	-1.0	-37.19	296.67	-3.01	-40.20
COC1=NC=C(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668365	1	33	-1.0	-37.20	296.61	-3.02	-40.22
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004668366	0	32	-1.0	-36.59	283.27	-0.84	-37.43
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004668366	1	32	-1.0	-36.52	283.33	-0.83	-37.35
CC1=CN(C)C(=O)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668367	0	33	-1.0	-50.54	295.92	0.06	-50.48
CC1=CN(C)C(=O)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668367	1	33	-1.0	-50.54	295.98	0.07	-50.47
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN=C1Cl	REAL250004668368	0	29	-1.0	-35.37	279.60	-1.24	-36.61
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN=C1Cl	REAL250004668368	1	29	-1.0	-35.37	279.54	-1.25	-36.62
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(F)=CC(Cl)=C1	REAL250004668369	0	27	-1.0	-35.19	271.88	0.09	-35.10
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(F)=CC(Cl)=C1	REAL250004668369	1	27	-1.0	-35.20	271.94	0.10	-35.10
CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668370	0	27	-1.0	-41.31	250.95	-2.73	-44.04
CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668370	1	27	-1.0	-41.32	250.90	-2.75	-44.07
CC1=NC(C)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668371	1	29	-1.0	-36.13	275.05	-1.90	-38.03
CC1=NC(C)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668371	1	29	-1.0	-36.17	275.11	-1.87	-38.04
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)N=C1	REAL250004668372	0	26	-1.0	-35.65	250.15	-2.30	-37.95
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(F)N=C1	REAL250004668372	1	26	-1.0	-35.65	250.09	-2.31	-37.96
COC1=CC=C(F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668373	0	31	-1.0	-38.81	284.15	-1.11	-39.92
COC1=CC=C(F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668373	1	31	-1.0	-38.86	284.20	-1.08	-39.94
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=CC=NC=C21	REAL250004668374	0	32	-1.0	-38.07	286.35	0.09	-37.98
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=CC=NC=C21	REAL250004668374	1	32	-1.0	-38.07	286.40	0.11	-37.96
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668375	0	29	-1.0	-36.51	265.26	-1.63	-38.14
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668375	1	29	-1.0	-36.53	265.32	-1.62	-38.15
CC1=CC(F)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668376	0	30	-1.0	-38.20	276.56	0.24	-37.96
CC1=CC(F)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668376	1	30	-1.0	-38.19	276.61	0.26	-37.93
CC1=C(C#N)C=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668377	0	31	-1.0	-36.29	285.12	0.57	-35.72
CC1=C(C#N)C=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668377	1	31	-1.0	-36.29	285.18	0.59	-35.70
COC1=CC(F)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668378	0	31	-1.0	-37.06	284.64	-1.13	-38.19
COC1=CC(F)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668378	1	31	-1.0	-37.11	284.70	-1.12	-38.23
CC1=CC=C(Cl)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668379	0	30	-1.0	-36.14	285.13	0.81	-35.33
CC1=CC=C(Cl)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668379	1	30	-1.0	-36.12	285.20	0.82	-35.30
CCN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668380	0	30	-1.0	-41.29	272.49	-1.87	-43.16
CCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668380	1	30	-1.0	-41.25	272.43	-1.88	-43.13
N#CCCN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668381	0	31	-1.0	-41.90	293.21	-0.40	-42.30
N#CCCN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668381	1	31	-1.0	-41.89	293.15	-0.42	-42.31
CCCN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668382	0	33	-1.0	-40.90	293.99	-1.11	-42.01
CCCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668382	1	33	-1.0	-40.93	293.93	-1.12	-42.05
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(CC2CC2)N=C1	REAL250004668383	0	34	-1.0	-41.28	303.80	-0.30	-41.58
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(CC2CC2)N=C1	REAL250004668383	1	34	-1.0	-41.29	303.74	-0.31	-41.60
CC(C)CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668384	0	36	-1.0	-40.51	309.34	-0.28	-40.79
CC(C)CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668384	1	36	-1.0	-40.52	309.28	-0.30	-40.82
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004668385	0	33	-1.0	-36.41	293.85	-2.98	-39.39
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004668385	1	33	-1.0	-36.43	293.91	-2.96	-39.39
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CSC=C1	REAL250004668386	0	24	-1.0	-36.06	238.69	-1.58	-37.64
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CSC=C1	REAL250004668386	1	24	-1.0	-36.06	238.75	-1.57	-37.63
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=NN1C	REAL250004668387	0	30	-1.0	-41.28	268.97	-2.25	-43.53
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=NN1C	REAL250004668387	1	30	-1.0	-41.26	269.03	-2.23	-43.49
CC1=CC(Cl)=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668388	0	29	-1.0	-37.85	278.61	-1.05	-38.90
CC1=CC(Cl)=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668388	1	29	-1.0	-37.85	278.67	-1.03	-38.88
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2COCC2=C1	REAL250004668389	0	32	-1.0	-38.24	284.72	-1.20	-39.44
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2COCC2=C1	REAL250004668389	1	32	-1.0	-38.25	284.77	-1.19	-39.44
CCC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=NO1	REAL250004668390	0	32	-1.0	-36.50	285.85	-0.97	-37.47
CCC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=NO1	REAL250004668390	1	32	-1.0	-36.51	285.91	-0.95	-37.46
COC1=CC=C(F)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668391	0	31	-1.0	-39.10	283.96	-1.04	-40.14
COC1=CC=C(F)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668391	1	31	-1.0	-39.10	284.02	-1.03	-40.13
CCC1=NOC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668392	0	32	-1.0	-37.20	287.36	-1.09	-38.29
CCC1=NOC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668392	1	32	-1.0	-37.22	287.42	-1.08	-38.30
CCC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004668393	0	36	-1.0	-37.35	307.21	1.42	-35.93
CCC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004668393	1	36	-1.0	-37.35	307.27	1.43	-35.92
CCC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004668394	1	29	-1.0	-35.51	274.59	-1.90	-37.41
CCC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004668394	1	29	-1.0	-35.50	274.64	-1.87	-37.37
CC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004668395	0	33	-1.0	-37.14	286.91	-0.84	-37.98
CC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004668395	1	33	-1.0	-37.15	286.97	-0.82	-37.97
CCC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668396	0	31	-1.0	-37.17	282.02	-1.92	-39.09
CCC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668396	1	31	-1.0	-37.16	282.07	-1.91	-39.07
N#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004668397	0	28	-1.0	-35.70	275.44	0.01	-35.69
N#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004668397	1	28	-1.0	-35.69	275.50	0.02	-35.67
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1CC1CC1	REAL250004668398	0	34	-1.0	-36.43	302.71	0.61	-35.82
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1CC1CC1	REAL250004668398	1	34	-1.0	-36.38	302.65	0.60	-35.78
CCN1N=C(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004668399	0	36	-1.0	-40.69	315.36	-0.88	-41.57
CCN1N=C(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004668399	1	36	-1.0	-40.72	315.41	-0.87	-41.59
CC1=CON=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668400	0	26	-1.0	-42.63	247.69	-1.23	-43.86
CC1=CON=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668400	1	26	-1.0	-42.63	247.63	-1.25	-43.88
CCN1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668401	0	30	-1.0	-36.75	271.03	-0.96	-37.71
CCN1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668401	1	30	-1.0	-36.71	270.98	-0.97	-37.68
CCC(C)N1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668402	0	36	-1.0	-36.36	309.33	0.40	-35.96
CCC(C)N1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668402	1	36	-1.0	-36.32	309.27	0.39	-35.93
CC(C)CN1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668403	0	36	-1.0	-36.22	310.88	0.60	-35.62
CC(C)CN1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668403	1	36	-1.0	-36.25	310.82	0.58	-35.67
CN1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668404	0	27	-1.0	-37.08	249.23	-1.84	-38.92
CN1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668404	1	27	-1.0	-37.04	249.17	-1.85	-38.89
CCCCN1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668405	0	36	-1.0	-36.29	314.03	0.58	-35.71
CCCCN1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668405	1	36	-1.0	-36.32	313.97	0.57	-35.75
CC(C)(C)N1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668406	0	36	-1.0	-40.57	310.90	-0.73	-41.30
CC(C)(C)N1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668406	1	36	-1.0	-40.57	310.84	-0.74	-41.31
N#CCN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668407	0	28	-1.0	-49.22	271.82	-2.13	-51.35
N#CCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668407	1	28	-1.0	-49.27	271.76	-2.15	-51.42
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C	REAL250004668408	0	30	-1.0	-39.80	270.22	-1.30	-41.10
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C	REAL250004668408	1	30	-1.0	-39.77	270.28	-1.29	-41.06
CC1=CSC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668409	0	27	-1.0	-36.23	256.26	-0.82	-37.05
CC1=CSC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668409	1	27	-1.0	-36.22	256.32	-0.80	-37.02
CC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668410	1	26	-1.0	-35.88	255.48	-2.54	-38.42
CC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668410	1	26	-1.0	-35.86	255.54	-2.52	-38.38
CC1=NN(C)C(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668411	0	33	-1.0	-40.92	293.53	-1.75	-42.67
CC1=NN(C)C(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668411	1	33	-1.0	-40.93	293.61	-1.74	-42.67
COC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=NN1C	REAL250004668412	0	34	-1.0	-39.48	304.85	-2.03	-41.51
COC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=NN1C	REAL250004668412	1	34	-1.0	-39.49	304.91	-2.02	-41.51
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(=O)N1C	REAL250004668413	0	33	-1.0	-51.72	292.94	-0.45	-52.17
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(=O)N1C	REAL250004668413	1	33	-1.0	-51.73	293.00	-0.42	-52.15
CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1F	REAL250004668414	0	30	-1.0	-36.74	274.97	0.25	-36.49
CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1F	REAL250004668414	1	30	-1.0	-36.77	275.02	0.27	-36.50
CCCC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668415	0	36	-1.0	-37.15	314.02	0.27	-36.88
CCCC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668415	1	36	-1.0	-37.15	314.08	0.29	-36.86
CC(C)(C)N1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668416	0	36	-1.0	-36.72	303.06	0.40	-36.32
CC(C)(C)N1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668416	1	36	-1.0	-36.71	303.01	0.38	-36.33
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C2CCCC2=C1	REAL250004668417	0	33	-1.0	-37.39	289.20	-0.39	-37.78
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C2CCCC2=C1	REAL250004668417	1	33	-1.0	-37.41	289.25	-0.38	-37.79
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CN=C1Cl	REAL250004668418	0	26	-1.0	-35.88	257.95	-1.71	-37.59
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CN=C1Cl	REAL250004668418	1	26	-1.0	-35.88	257.89	-1.72	-37.60
CC1=CN=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668419	1	26	-1.0	-40.09	257.21	-1.11	-41.20
CC1=CN=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668419	1	26	-1.0	-40.06	257.15	-1.12	-41.18
CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CC1=O	REAL250004668420	0	30	-1.0	-42.16	276.28	-1.69	-43.85
CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CC1=O	REAL250004668420	1	30	-1.0	-42.17	276.34	-1.67	-43.84
COC(=O)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN1	REAL250004668421	0	31	-1.0	-37.38	289.71	-2.14	-39.52
COC(=O)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN1	REAL250004668421	1	31	-1.0	-37.39	289.77	-2.13	-39.52
NC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668422	0	30	-1.0	-41.42	282.02	-3.98	-45.40
NC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668422	1	30	-1.0	-41.42	281.96	-4.00	-45.42
COC1=NC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668423	0	29	-1.0	-36.28	269.53	-3.93	-40.21
COC1=NC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668423	1	29	-1.0	-36.25	269.47	-3.94	-40.19
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C2CC2)C=C1	REAL250004668424	0	34	-1.0	-36.80	297.95	1.60	-35.20
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C2CC2)C=C1	REAL250004668424	1	34	-1.0	-36.79	298.00	1.62	-35.17
CCC1=NN(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668425	0	33	-1.0	-37.11	293.13	-1.39	-38.50
CCC1=NN(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668425	1	33	-1.0	-37.12	293.18	-1.37	-38.49
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=CC2=CC=CC=C21	REAL250004668426	0	32	-1.0	-40.59	287.60	0.10	-40.49
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=CC2=CC=CC=C21	REAL250004668426	1	32	-1.0	-40.62	287.54	0.08	-40.54
N#CC1=CC=C2CCN(C(=O)C(=O)NCC3=N[N-]N=N3)C2=C1	REAL250004668427	0	32	-1.0	-42.88	291.02	2.03	-40.85
N#CC1=CC=C2CCN(C(=O)C(=O)NCC3=NN=N[N-]3)C2=C1	REAL250004668427	1	32	-1.0	-42.93	291.07	2.04	-40.89
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C(C2CC2)N=CS1	REAL250004668428	1	30	-1.0	-35.73	284.27	-0.96	-36.69
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C(C2CC2)N=CS1	REAL250004668428	1	30	-1.0	-35.74	284.33	-0.94	-36.68
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=CC2=CC=CC=C21	REAL250004668429	0	32	-1.0	-40.59	287.60	0.10	-40.49
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=CC2=CC=CC=C21	REAL250004668429	1	32	-1.0	-40.62	287.54	0.08	-40.54
CN1N=C2CCCC2=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668430	0	34	-1.0	-38.36	293.26	-0.03	-38.39
CN1N=C2CCCC2=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668430	1	34	-1.0	-38.33	293.32	-0.01	-38.34
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(C(F)F)N=C1	REAL250004668431	0	27	-1.0	-37.59	264.31	-2.53	-40.12
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(C(F)F)N=C1	REAL250004668431	1	27	-1.0	-37.56	264.26	-2.55	-40.11
CC1=NOC(C2CC2)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668432	0	33	-1.0	-36.84	302.16	-0.13	-36.97
CC1=NOC(C2CC2)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668432	1	33	-1.0	-36.89	302.23	-0.12	-37.01
O=C(NCC1=N[N-]N=N1)C(=O)N1CCC2=C(F)C=CC=C21	REAL250004668433	0	31	-1.0	-36.39	276.58	1.70	-34.69
O=C(NCC1=NN=N[N-]1)C(=O)N1CCC2=C(F)C=CC=C21	REAL250004668433	1	31	-1.0	-36.40	276.64	1.72	-34.68
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL250004668434	0	30	-1.0	-50.54	276.52	-2.14	-52.68
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL250004668434	1	30	-1.0	-50.58	276.58	-2.12	-52.70
CN(C)C1=NC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668435	0	33	-1.0	-35.72	289.92	-1.40	-37.12
CN(C)C1=NC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668435	1	33	-1.0	-35.70	289.86	-1.42	-37.12
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668436	0	33	-1.0	-42.13	293.14	-1.01	-43.14
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668436	1	33	-1.0	-42.12	293.19	-0.99	-43.11
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN(C)C1=O	REAL250004668437	0	33	-1.0	-42.24	297.73	-1.04	-43.28
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN(C)C1=O	REAL250004668437	1	33	-1.0	-42.28	297.78	-1.02	-43.30
CC(CNC(=O)C(=O)NCC1=N[N-]N=N1)S(N)(=O)=O	REAL250004668438	0	31	-1.0	-46.76	285.90	-7.28	-54.04
CC(CNC(=O)C(=O)NCC1=NN=N[N-]1)S(N)(=O)=O	REAL250004668438	1	31	-1.0	-46.78	285.95	-7.27	-54.05
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NC=N1	REAL250004668439	0	29	-1.0	-38.30	272.25	-2.54	-40.84
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NC=N1	REAL250004668439	1	29	-1.0	-38.24	272.19	-2.56	-40.80
CC1=CC=CC(F)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668440	0	30	-1.0	-39.74	279.00	0.55	-39.19
CC1=CC=CC(F)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668440	1	30	-1.0	-39.75	279.06	0.56	-39.19
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=C1OCO2	REAL250004668441	0	30	-1.0	-37.47	274.80	-1.83	-39.30
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=C1OCO2	REAL250004668441	1	30	-1.0	-37.49	274.85	-1.83	-39.32
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COCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668460	0	34	-1.0	-37.50	304.10	-0.78	-38.28
COCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668460	1	34	-1.0	-37.52	304.15	-0.77	-38.29
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CC(C)C1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668462	0	34	-1.0	-37.28	302.02	-1.33	-38.61
CC(C)C1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668462	1	34	-1.0	-37.28	302.07	-1.32	-38.60
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CC(C)N1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668465	0	33	-1.0	-38.82	291.00	-0.39	-39.21
CC(C)N1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668465	1	33	-1.0	-38.82	290.94	-0.40	-39.22
CC1=C(C)SC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668466	1	29	-1.0	-35.85	273.85	-1.06	-36.91
CC1=C(C)SC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668466	1	29	-1.0	-35.83	273.90	-1.04	-36.87
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CCC1=C(C)SC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668468	1	32	-1.0	-35.76	295.33	-0.33	-36.09
CCC1=C(C)SC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668468	1	32	-1.0	-35.78	295.39	-0.32	-36.10
CCCC1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668469	1	32	-1.0	-34.90	297.61	-0.22	-35.12
CCCC1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668469	1	32	-1.0	-34.91	297.67	-0.20	-35.11
COC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668470	0	34	-1.0	-40.28	301.98	-0.15	-40.43
COC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668470	1	34	-1.0	-40.31	302.04	-0.15	-40.46
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COCC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668472	0	34	-1.0	-37.76	303.80	-0.77	-38.53
COCC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668472	1	34	-1.0	-37.77	303.86	-0.75	-38.52
CN1N=CN=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668473	0	26	-1.0	-40.37	246.71	0.55	-39.82
CN1N=CN=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668473	1	26	-1.0	-40.37	246.65	0.53	-39.84
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CC1=NC(Cl)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668475	0	29	-1.0	-34.97	278.54	-1.03	-36.00
CC1=NC(Cl)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668475	1	29	-1.0	-34.98	278.59	-1.01	-35.99
COC1=NN(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668476	0	31	-1.0	-37.50	283.91	-4.80	-42.30
COC1=NN(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668476	1	31	-1.0	-37.47	283.85	-4.82	-42.29
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O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=N1	REAL250004668477	1	26	-1.0	-39.61	261.77	-0.32	-39.93
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C=N1	REAL250004668478	0	26	-1.0	-40.08	251.49	-0.74	-40.82
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N#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004668479	0	27	-1.0	-41.44	265.90	-0.41	-41.85
N#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004668479	1	27	-1.0	-41.39	265.84	-0.43	-41.82
CC1=CC(C)=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668480	0	32	-1.0	-41.57	288.11	0.45	-41.12
CC1=CC(C)=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668480	1	32	-1.0	-41.55	288.17	0.47	-41.08
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CC1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668482	1	26	-1.0	-35.13	254.98	-1.78	-36.91
CC1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668482	1	26	-1.0	-35.12	255.04	-1.76	-36.88
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(F)=C1Cl	REAL250004668484	0	27	-1.0	-35.16	269.58	0.18	-34.98
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(F)=C1Cl	REAL250004668484	1	27	-1.0	-35.18	269.64	0.20	-34.98
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN2CCCCC2=C1	REAL250004668485	0	34	-1.0	-39.48	292.50	-0.14	-39.62
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN2CCCCC2=C1	REAL250004668485	1	34	-1.0	-39.49	292.55	-0.13	-39.62
COCC1=CN=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668486	1	30	-1.0	-40.57	290.87	-2.06	-42.63
COCC1=CN=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668486	1	30	-1.0	-40.55	290.81	-2.07	-42.62
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL250004668487	0	30	-1.0	-36.09	276.16	-3.77	-39.86
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL250004668487	1	30	-1.0	-36.08	276.10	-3.78	-39.86
CCC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL250004668488	0	33	-1.0	-35.78	297.19	0.96	-34.82
CCC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL250004668488	1	33	-1.0	-35.79	297.24	0.98	-34.81
CC(C)C1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668489	1	32	-1.0	-34.95	294.37	-0.49	-35.44
CC(C)C1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668489	1	32	-1.0	-34.97	294.42	-0.47	-35.44
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(Cl)=N1	REAL250004668490	0	26	-1.0	-43.35	261.94	-0.39	-43.74
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(Cl)=N1	REAL250004668490	1	26	-1.0	-43.36	261.88	-0.41	-43.77
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(F)=N1	REAL250004668491	0	26	-1.0	-44.84	251.49	-0.85	-45.69
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(F)=N1	REAL250004668491	1	26	-1.0	-44.83	251.43	-0.86	-45.69
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=N1	REAL250004668492	0	29	-1.0	-44.42	272.31	-3.86	-48.28
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004668492	1	29	-1.0	-44.42	272.26	-3.87	-48.29
CC1=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1C#N	REAL250004668493	0	30	-1.0	-41.07	285.19	0.02	-41.05
CC1=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1C#N	REAL250004668493	1	30	-1.0	-41.07	285.25	0.03	-41.04
CC1=NSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668494	1	26	-1.0	-37.51	255.50	-2.10	-39.61
CC1=NSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668494	1	26	-1.0	-37.47	255.56	-2.09	-39.56
CC(C)C1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004668495	1	32	-1.0	-35.35	294.48	-1.28	-36.63
CC(C)C1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004668495	1	32	-1.0	-35.37	294.54	-1.25	-36.62
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN2N=CN=C2C=C1	REAL250004668496	0	29	-1.0	-38.80	273.56	-0.03	-38.83
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN2N=CN=C2C=C1	REAL250004668496	1	29	-1.0	-38.78	273.51	-0.04	-38.82
N#CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668497	0	31	-1.0	-42.60	291.28	0.66	-41.94
N#CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668497	1	31	-1.0	-42.60	291.33	0.68	-41.92
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2CCCC2=N1	REAL250004668498	0	33	-1.0	-42.90	290.54	1.02	-41.88
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2CCCC2=N1	REAL250004668498	1	33	-1.0	-42.94	290.59	1.03	-41.91
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C2CC2)=N1	REAL250004668499	0	33	-1.0	-42.78	294.77	1.20	-41.58
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C2CC2)=N1	REAL250004668499	1	33	-1.0	-42.80	294.83	1.21	-41.59
COC1=CN=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004668500	0	29	-1.0	-39.28	269.62	-1.16	-40.44
COC1=CN=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004668500	1	29	-1.0	-39.31	269.56	-1.17	-40.48
CN(C)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NC=N1	REAL250004668501	0	33	-1.0	-40.72	293.97	0.62	-40.10
CN(C)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NC=N1	REAL250004668501	1	33	-1.0	-40.71	293.91	0.61	-40.10
CC1=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C	REAL250004668502	0	29	-1.0	-44.27	268.74	0.26	-44.01
CC1=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C	REAL250004668502	1	29	-1.0	-44.23	268.79	0.27	-43.96
CN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668503	0	26	-1.0	-43.57	248.29	0.62	-42.95
CN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668503	1	26	-1.0	-43.61	248.23	0.60	-43.01
CC1=C(Cl)C=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668504	0	29	-1.0	-35.74	276.00	-1.06	-36.80
CC1=C(Cl)C=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668504	1	29	-1.0	-35.77	276.06	-1.04	-36.81
CC1=CC(Cl)=CN=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668505	0	29	-1.0	-39.25	279.66	0.48	-38.77
CC1=CC(Cl)=CN=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668505	1	29	-1.0	-39.22	279.60	0.47	-38.75
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=NON=C21	REAL250004668506	0	28	-1.0	-35.65	263.86	-1.64	-37.29
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=NON=C21	REAL250004668506	1	28	-1.0	-35.63	263.80	-1.66	-37.29
CN1N=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C1CC1	REAL250004668507	0	34	-1.0	-39.62	301.13	0.21	-39.41
CN1N=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C1CC1	REAL250004668507	1	34	-1.0	-39.59	301.18	0.22	-39.37
CN1N=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668508	0	26	-1.0	-38.04	244.38	-3.20	-41.24
CN1N=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668508	1	26	-1.0	-38.04	244.32	-3.22	-41.26
N#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004668509	0	28	-1.0	-36.29	275.43	-0.07	-36.36
N#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004668509	1	28	-1.0	-36.28	275.48	-0.06	-36.34
C=COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668510	0	32	-1.0	-37.02	290.35	-0.19	-37.21
C=COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668510	1	32	-1.0	-37.05	290.41	-0.18	-37.23
CC1=NC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668511	0	28	-1.0	-40.83	261.70	-1.08	-41.91
CC1=NC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668511	1	28	-1.0	-40.85	261.76	-1.06	-41.91
CCC1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668512	1	29	-1.0	-35.04	276.13	-0.98	-36.02
CCC1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668512	1	29	-1.0	-35.02	276.18	-0.96	-35.98
CC(C)N1N=CN=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668513	0	32	-1.0	-39.79	288.65	2.15	-37.64
CC(C)N1N=CN=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668513	1	32	-1.0	-39.80	288.59	2.13	-37.67
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CC(F)=C1F	REAL250004668514	0	30	-1.0	-34.29	278.16	0.45	-33.84
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CC(F)=C1F	REAL250004668514	1	30	-1.0	-34.34	278.21	0.46	-33.88
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=NN1C	REAL250004668515	0	29	-1.0	-47.52	266.48	-2.31	-49.83
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=NN1C	REAL250004668515	1	29	-1.0	-47.51	266.54	-2.29	-49.80
CC1=CC(C#N)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668516	0	31	-1.0	-40.33	291.28	0.55	-39.78
CC1=CC(C#N)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668516	1	31	-1.0	-40.31	291.34	0.56	-39.75
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN2CCCCC2=N1	REAL250004668517	0	33	-1.0	-43.43	289.96	1.51	-41.92
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN2CCCCC2=N1	REAL250004668517	1	33	-1.0	-43.45	290.01	1.53	-41.92
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004668518	0	29	-1.0	-41.39	266.51	-0.16	-41.55
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004668518	1	29	-1.0	-41.40	266.46	-0.17	-41.57
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL250004668519	0	29	-1.0	-37.05	265.29	-1.63	-38.68
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL250004668519	1	29	-1.0	-37.03	265.35	-1.62	-38.65
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NC(Cl)=C1	REAL250004668520	0	26	-1.0	-35.04	260.83	-1.82	-36.86
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NC(Cl)=C1	REAL250004668520	1	26	-1.0	-35.04	260.77	-1.83	-36.87
CC1=CC=CC(Cl)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668521	0	30	-1.0	-38.57	288.58	1.11	-37.46
CC1=CC=CC(Cl)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668521	1	30	-1.0	-38.53	288.64	1.12	-37.41
CC1=CC(C)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004668522	0	35	-1.0	-37.10	303.12	-0.12	-37.22
CC1=CC(C)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004668522	1	35	-1.0	-37.10	303.18	-0.10	-37.20
COC1=NC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668523	0	29	-1.0	-44.84	272.09	-4.08	-48.92
COC1=NC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668523	1	29	-1.0	-44.84	272.04	-4.09	-48.93
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN=C1C	REAL250004668524	0	31	-1.0	-45.79	278.92	-0.94	-46.73
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN=C1C	REAL250004668524	1	31	-1.0	-45.83	278.97	-0.93	-46.76
COC1=CN=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668525	1	27	-1.0	-39.71	267.81	-2.37	-42.08
COC1=CN=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668525	1	27	-1.0	-39.72	267.76	-2.39	-42.11
NC(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668526	0	30	-1.0	-39.24	280.56	-5.41	-44.65
NC(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668526	1	30	-1.0	-39.21	280.50	-5.42	-44.63
COC1=CN=CN=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668527	0	29	-1.0	-40.08	268.66	-1.61	-41.69
COC1=CN=CN=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668527	1	29	-1.0	-40.05	268.61	-1.63	-41.68
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C2CC2)N=N1	REAL250004668529	0	32	-1.0	-45.95	289.89	-0.06	-46.01
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C2CC2)N=N1	REAL250004668529	1	32	-1.0	-45.93	289.94	-0.05	-45.98
CC1=NN=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668530	0	28	-1.0	-36.34	256.85	-2.53	-38.87
CC1=NN=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668530	1	28	-1.0	-36.34	256.91	-2.52	-38.86
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC2=NC=CN2C=C1	REAL250004668531	0	30	-1.0	-40.12	278.22	0.09	-40.03
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC2=NC=CN2C=C1	REAL250004668531	1	30	-1.0	-40.17	278.28	0.10	-40.07
CCN1C=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C1=O	REAL250004668532	0	33	-1.0	-52.71	297.11	0.06	-52.65
CCN1C=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C1=O	REAL250004668532	1	33	-1.0	-52.68	297.16	0.08	-52.60
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C(C)C	REAL250004668533	0	36	-1.0	-39.58	312.64	0.27	-39.31
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C(C)C	REAL250004668533	1	36	-1.0	-39.57	312.70	0.29	-39.28
CCC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C	REAL250004668534	0	33	-1.0	-39.38	292.27	-0.55	-39.93
CCC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C	REAL250004668534	1	33	-1.0	-39.39	292.33	-0.54	-39.93
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1C(F)F	REAL250004668535	0	30	-1.0	-40.22	277.80	0.67	-39.55
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1C(F)F	REAL250004668535	1	30	-1.0	-40.23	277.86	0.69	-39.54
N#CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668536	0	27	-1.0	-47.27	266.05	-0.51	-47.78
N#CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668536	1	27	-1.0	-47.21	265.99	-0.52	-47.73
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CN=C1F	REAL250004668537	0	26	-1.0	-36.52	248.84	-2.26	-38.78
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CN=C1F	REAL250004668537	1	26	-1.0	-36.54	248.78	-2.27	-38.81
CC(C)N1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668538	0	33	-1.0	-40.52	291.16	-1.34	-41.86
CC(C)N1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668538	1	33	-1.0	-40.51	291.11	-1.36	-41.87
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004668539	0	30	-1.0	-35.59	284.18	0.60	-34.99
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004668539	1	30	-1.0	-35.62	284.24	0.62	-35.00
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NC=C1C#N	REAL250004668540	0	30	-1.0	-40.55	285.25	0.10	-40.45
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NC=C1C#N	REAL250004668540	1	30	-1.0	-40.57	285.31	0.11	-40.46
CC(C)N1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668541	0	32	-1.0	-42.41	288.62	1.86	-40.55
CC(C)N1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668541	1	32	-1.0	-42.42	288.56	1.85	-40.57
CCC1=CC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668542	0	32	-1.0	-38.56	282.85	-0.67	-39.23
CCC1=CC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668542	1	32	-1.0	-38.52	282.91	-0.66	-39.18
COC1=CN=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668543	0	29	-1.0	-38.46	272.11	-3.92	-42.38
COC1=CN=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668543	1	29	-1.0	-38.43	272.05	-3.93	-42.36
CCC1=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C	REAL250004668544	0	32	-1.0	-43.77	289.36	0.85	-42.92
CCC1=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C	REAL250004668544	1	32	-1.0	-43.75	289.42	0.86	-42.89
CCN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668545	0	30	-1.0	-39.50	272.35	-0.90	-40.40
CCN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668545	1	30	-1.0	-39.49	272.29	-0.91	-40.40
CCN1N=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668546	0	33	-1.0	-36.56	289.14	-0.38	-36.94
CCN1N=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668546	1	33	-1.0	-36.53	289.08	-0.41	-36.94
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL250004668547	0	30	-1.0	-35.59	284.18	0.60	-34.99
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL250004668547	1	30	-1.0	-35.62	284.24	0.62	-35.00
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N(C)N=C1	REAL250004668549	0	30	-1.0	-36.49	267.07	-1.36	-37.85
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N(C)N=C1	REAL250004668549	1	30	-1.0	-36.46	267.02	-1.37	-37.83
COC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL250004668550	0	34	-1.0	-37.09	294.68	-0.27	-37.36
COC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL250004668550	1	34	-1.0	-37.06	294.73	-0.26	-37.32
COCC1=NC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668551	0	32	-1.0	-43.25	295.37	-2.10	-45.35
COCC1=NC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668551	1	32	-1.0	-43.31	295.42	-2.09	-45.40
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=C1OCC2	REAL250004668552	0	32	-1.0	-38.99	284.58	-0.66	-39.65
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=C1OCC2	REAL250004668552	1	32	-1.0	-38.98	284.64	-0.64	-39.62
COC1=NNC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668553	0	28	-1.0	-37.60	260.67	-5.20	-42.80
COC1=NNC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668553	1	28	-1.0	-37.60	260.73	-5.18	-42.78
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(CCF)N=C1	REAL250004668554	0	30	-1.0	-40.33	279.08	-1.73	-42.06
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(CCF)N=C1	REAL250004668554	1	30	-1.0	-40.34	279.02	-1.75	-42.09
CC1=CNC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C12	REAL250004668555	0	34	-1.0	-39.47	302.43	0.21	-39.26
CC1=CNC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C12	REAL250004668555	1	34	-1.0	-39.50	302.48	0.22	-39.28
CC(C)(C)N1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668556	0	36	-1.0	-36.72	303.06	0.40	-36.32
CC(C)(C)N1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668556	1	36	-1.0	-36.71	303.01	0.38	-36.33
CC1=CN(C)N=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668557	0	30	-1.0	-43.90	274.39	-0.85	-44.75
CC1=CN(C)N=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668557	1	30	-1.0	-43.86	274.34	-0.87	-44.73
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CS1	REAL250004668558	0	27	-1.0	-36.29	260.56	-0.78	-37.07
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CS1	REAL250004668558	1	27	-1.0	-36.30	260.61	-0.76	-37.06
CCN1N=C(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668559	0	33	-1.0	-37.17	292.91	-0.38	-37.55
CCN1N=C(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668559	1	33	-1.0	-37.15	292.97	-0.36	-37.51
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NOC(C2CC2)=C1	REAL250004668560	0	30	-1.0	-35.31	276.71	0.26	-35.05
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NOC(C2CC2)=C1	REAL250004668560	1	30	-1.0	-35.34	276.76	0.28	-35.06
CN1N=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C1CC1	REAL250004668561	0	34	-1.0	-40.14	300.57	-0.61	-40.75
CN1N=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C1CC1	REAL250004668561	1	34	-1.0	-40.11	300.64	-0.59	-40.70
COC1=CN=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668562	0	30	-1.0	-38.40	273.29	-2.98	-41.38
COC1=CN=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668562	1	30	-1.0	-38.37	273.24	-2.99	-41.36
CN(C)C1=CN=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668563	0	34	-1.0	-37.36	295.66	-1.87	-39.23
CN(C)C1=CN=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668563	1	34	-1.0	-37.35	295.60	-1.89	-39.24
COC1=CN=C(F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668564	0	30	-1.0	-37.12	278.41	-3.00	-40.12
COC1=CN=C(F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668564	1	30	-1.0	-37.12	278.35	-3.02	-40.14
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CS1	REAL250004668565	0	27	-1.0	-35.79	256.61	-0.73	-36.52
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CS1	REAL250004668565	1	27	-1.0	-35.81	256.66	-0.71	-36.52
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C2CCCCN2N=C1	REAL250004668566	0	34	-1.0	-40.81	292.25	-1.11	-41.92
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C2CCCCN2N=C1	REAL250004668566	1	34	-1.0	-40.80	292.30	-1.10	-41.90
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NC(C)=N1	REAL250004668567	0	31	-1.0	-40.64	283.38	-0.45	-41.09
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NC(C)=N1	REAL250004668567	1	31	-1.0	-40.65	283.44	-0.44	-41.09
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004668568	0	31	-1.0	-35.93	284.16	-1.11	-37.04
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004668568	1	31	-1.0	-35.95	284.21	-1.09	-37.04
N#CC1=CC(F)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668569	0	28	-1.0	-37.60	276.31	-0.05	-37.65
N#CC1=CC(F)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668569	1	28	-1.0	-37.59	276.37	-0.03	-37.62
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2OC=CC2=C1	REAL250004668570	0	30	-1.0	-40.06	276.45	-0.17	-40.23
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2OC=CC2=C1	REAL250004668570	1	30	-1.0	-40.02	276.51	-0.15	-40.17
CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668571	0	27	-1.0	-41.31	250.95	-2.73	-44.04
CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668571	1	27	-1.0	-41.32	250.90	-2.75	-44.07
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(CCF)C=C1	REAL250004668572	0	30	-1.0	-38.59	278.94	-0.76	-39.35
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(CCF)C=C1	REAL250004668572	1	30	-1.0	-38.59	278.89	-0.78	-39.37
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=NC=CN=C12	REAL250004668573	0	31	-1.0	-40.19	284.27	-1.89	-42.08
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=NC=CN=C12	REAL250004668573	1	31	-1.0	-40.18	284.22	-1.90	-42.08
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=CC(C(F)F)=C1	REAL250004668574	0	29	-1.0	-37.12	276.28	-1.42	-38.54
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=CC(C(F)F)=C1	REAL250004668574	1	29	-1.0	-37.13	276.23	-1.44	-38.57
COC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668575	0	31	-1.0	-39.04	282.10	-3.90	-42.94
COC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668575	1	31	-1.0	-39.05	282.04	-3.92	-42.97
N#CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668576	0	30	-1.0	-51.14	286.89	0.29	-50.85
N#CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668576	1	30	-1.0	-51.16	286.95	0.30	-50.86
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN=C1C	REAL250004668577	0	32	-1.0	-37.06	282.55	-1.10	-38.16
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN=C1C	REAL250004668577	1	32	-1.0	-37.02	282.61	-1.09	-38.11
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CSC=C1Cl	REAL250004668578	0	24	-1.0	-34.60	252.75	-1.02	-35.62
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CSC=C1Cl	REAL250004668578	1	24	-1.0	-34.61	252.80	-1.01	-35.62
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=CC(Cl)=C1	REAL250004668579	0	26	-1.0	-35.81	260.47	-1.74	-37.55
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=CC(Cl)=C1	REAL250004668579	1	26	-1.0	-35.75	260.42	-1.76	-37.51
CC1=NC(C)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668580	1	29	-1.0	-36.13	275.05	-1.90	-38.03
CC1=NC(C)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668580	1	29	-1.0	-36.17	275.11	-1.87	-38.04
CC1=NOC(C(C)C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668581	0	35	-1.0	-36.67	313.84	-0.28	-36.95
CC1=NOC(C(C)C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668581	1	35	-1.0	-36.64	313.89	-0.26	-36.90
COC1=NN(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668582	0	31	-1.0	-39.04	282.10	-3.90	-42.94
COC1=NN(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668582	1	31	-1.0	-39.05	282.04	-3.92	-42.97
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004668583	0	30	-1.0	-38.11	284.18	0.60	-37.51
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004668583	1	30	-1.0	-38.08	284.24	0.62	-37.46
CC(C)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668584	0	35	-1.0	-36.19	303.78	-0.42	-36.61
CC(C)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668584	1	35	-1.0	-36.19	303.84	-0.41	-36.60
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C(F)C(Cl)=C1	REAL250004668585	0	26	-1.0	-35.79	266.61	-1.82	-37.61
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C(F)C(Cl)=C1	REAL250004668585	1	26	-1.0	-35.80	266.55	-1.84	-37.64
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(C2CCC2)N=C1	REAL250004668586	0	34	-1.0	-40.28	296.30	-0.75	-41.03
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(C2CCC2)N=C1	REAL250004668586	1	34	-1.0	-40.31	296.25	-0.77	-41.08
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004668587	0	29	-1.0	-37.84	282.38	-1.22	-39.06
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004668587	1	29	-1.0	-37.84	282.44	-1.20	-39.04
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C(F)F)C=C1	REAL250004668588	0	30	-1.0	-39.78	282.89	0.42	-39.36
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C(F)F)C=C1	REAL250004668588	1	30	-1.0	-39.77	282.95	0.44	-39.33
CC(C)C1=CN=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668589	0	35	-1.0	-36.27	304.12	-0.36	-36.63
CC(C)C1=CN=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668589	1	35	-1.0	-36.27	304.06	-0.38	-36.65
CC(C)N1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668590	0	33	-1.0	-40.52	291.16	-1.34	-41.86
CC(C)N1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668590	1	33	-1.0	-40.51	291.11	-1.36	-41.87
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN2CCCC2=C1	REAL250004668591	0	31	-1.0	-41.13	274.44	-0.98	-42.11
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN2CCCC2=C1	REAL250004668591	1	31	-1.0	-41.08	274.49	-0.96	-42.04
CC1=NC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668592	0	28	-1.0	-36.72	256.79	-1.70	-38.42
CC1=NC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668592	1	28	-1.0	-36.74	256.85	-1.69	-38.43
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1CCC1	REAL250004668593	0	34	-1.0	-36.56	296.98	0.40	-36.16
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1CCC1	REAL250004668593	1	34	-1.0	-36.54	296.92	0.38	-36.16
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1CCC1	REAL250004668594	0	34	-1.0	-36.56	296.98	0.40	-36.16
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1CCC1	REAL250004668594	1	34	-1.0	-36.54	296.92	0.38	-36.16
C=C(C)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668595	0	34	-1.0	-38.11	305.34	1.37	-36.74
C=C(C)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668595	1	34	-1.0	-38.09	305.40	1.39	-36.70
C#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668596	0	29	-1.0	-37.77	276.27	0.68	-37.09
C#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668596	1	29	-1.0	-37.79	276.33	0.70	-37.09
CCN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668597	0	29	-1.0	-43.44	269.87	1.49	-41.95
CCN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668597	1	29	-1.0	-43.45	269.81	1.48	-41.97
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1CC1	REAL250004668598	0	31	-1.0	-37.02	280.84	-0.16	-37.18
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1CC1	REAL250004668598	1	31	-1.0	-37.06	280.79	-0.17	-37.23
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C(F)F)C=C1	REAL250004668599	0	27	-1.0	-36.59	264.18	-1.56	-38.15
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C(F)F)C=C1	REAL250004668599	1	27	-1.0	-36.60	264.12	-1.58	-38.18
CCCC1=NC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668600	0	34	-1.0	-40.93	304.69	0.32	-40.61
CCCC1=NC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668600	1	34	-1.0	-40.91	304.74	0.33	-40.58
COCCN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668601	0	33	-1.0	-42.52	303.54	0.55	-41.97
COCCN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668601	1	33	-1.0	-42.51	303.48	0.53	-41.98
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN2N=CC=C2N=C1	REAL250004668602	0	29	-1.0	-39.19	273.93	-1.60	-40.79
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN2N=CC=C2N=C1	REAL250004668602	1	29	-1.0	-39.19	273.87	-1.61	-40.80
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NOC2=C1CCCC2	REAL250004668603	0	33	-1.0	-41.96	289.25	0.76	-41.20
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NOC2=C1CCCC2	REAL250004668603	1	33	-1.0	-42.00	289.31	0.78	-41.22
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C(F)C(F)=C1	REAL250004668604	0	26	-1.0	-36.29	256.70	-2.25	-38.54
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C(F)C(F)=C1	REAL250004668604	1	26	-1.0	-36.25	256.64	-2.27	-38.52
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1Cl	REAL250004668605	0	27	-1.0	-36.07	263.71	0.12	-35.95
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1Cl	REAL250004668605	1	27	-1.0	-36.09	263.76	0.14	-35.95
CC1=CN=C(F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668606	0	29	-1.0	-36.19	270.29	-1.62	-37.81
CC1=CN=C(F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668606	1	29	-1.0	-36.19	270.23	-1.64	-37.83
CC1=NC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668607	0	29	-1.0	-35.29	268.09	-1.51	-36.80
CC1=NC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668607	1	29	-1.0	-35.34	268.15	-1.49	-36.83
CN1N=C(C2CC2)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668608	0	34	-1.0	-37.64	300.86	0.24	-37.40
CN1N=C(C2CC2)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668608	1	34	-1.0	-37.66	300.91	0.26	-37.40
CC1=CC(F)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004668609	0	33	-1.0	-36.64	293.73	0.83	-35.81
CC1=CC(F)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004668609	1	33	-1.0	-36.64	293.79	0.85	-35.79
CCCN1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668610	0	33	-1.0	-36.34	292.53	-0.20	-36.54
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CCN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=N1	REAL250004668625	1	29	-1.0	-36.91	266.44	-2.19	-39.10
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CCCC1=C(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=NO1	REAL250004668626	1	35	-1.0	-41.74	310.96	1.10	-40.64
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CCC1=CC(C#N)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668630	0	34	-1.0	-36.48	307.49	1.52	-34.96
CCC1=CC(C#N)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668630	1	34	-1.0	-36.50	307.55	1.54	-34.96
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CC(C)C(NC(=O)C(=O)NCC1=N[N-]N=N1)C(F)(F)F	REAL250004668634	0	32	-1.0	-35.97	285.55	-0.77	-36.74
CC(C)C(NC(=O)C(=O)NCC1=NN=N[N-]1)C(F)(F)F	REAL250004668634	1	32	-1.0	-35.94	285.61	-0.76	-36.70
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1C	REAL250004668635	0	34	-1.0	-36.99	298.58	-0.46	-37.45
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1C	REAL250004668635	1	34	-1.0	-37.04	298.64	-0.44	-37.48
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COC1=C(F)C=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668637	0	31	-1.0	-35.78	287.72	-0.92	-36.70
COC1=C(F)C=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668637	1	31	-1.0	-35.78	287.78	-0.90	-36.68
CC1=CN=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL250004668638	0	32	-1.0	-41.39	283.76	0.39	-41.00
CC1=CN=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL250004668638	1	32	-1.0	-41.37	283.81	0.41	-40.96
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C(C)S1	REAL250004668639	0	30	-1.0	-36.08	278.49	0.08	-36.00
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C(C)S1	REAL250004668639	1	30	-1.0	-36.09	278.55	0.09	-36.00
CCC1=NOC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668640	0	29	-1.0	-34.50	266.77	-1.73	-36.23
CCC1=NOC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668640	1	29	-1.0	-34.52	266.83	-1.71	-36.23
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O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN2CCOCC2=C1	REAL250004668641	1	32	-1.0	-39.22	283.48	-2.53	-41.75
C#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668642	0	28	-1.0	-38.22	271.03	-1.17	-39.39
C#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668642	1	28	-1.0	-38.24	271.09	-1.16	-39.40
CC(C)C1=NC=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668643	0	34	-1.0	-35.97	297.62	-0.33	-36.30
CC(C)C1=NC=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668643	1	34	-1.0	-35.96	297.68	-0.31	-36.27
C#CC1=CC=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668644	0	28	-1.0	-40.80	272.34	0.36	-40.44
C#CC1=CC=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668644	1	28	-1.0	-40.79	272.40	0.37	-40.42
C#CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N=C1	REAL250004668645	0	28	-1.0	-41.61	272.28	0.37	-41.24
C#CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N=C1	REAL250004668645	1	28	-1.0	-41.62	272.33	0.38	-41.24
CC(C)C1=CON=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668646	0	32	-1.0	-41.69	288.31	0.15	-41.54
CC(C)C1=CON=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668646	1	32	-1.0	-41.74	288.25	0.14	-41.60
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O=C(NCC1=N[N-]N=N1)C(=O)NC1=NOC=C1C1CCC1	REAL250004668647	1	33	-1.0	-41.57	293.73	0.79	-40.78
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=NN1C1CC1	REAL250004668648	0	30	-1.0	-37.85	276.13	-1.57	-39.42
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=NN1C1CC1	REAL250004668648	1	30	-1.0	-37.85	276.08	-1.58	-39.43
CCOC1=NN(C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668649	0	34	-1.0	-37.35	305.76	-3.85	-41.20
CCOC1=NN(C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668649	1	34	-1.0	-37.37	305.71	-3.86	-41.23
CC1=CN=C(Cl)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668650	0	29	-1.0	-37.72	278.69	-0.99	-38.71
CC1=CN=C(Cl)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668650	1	29	-1.0	-37.72	278.63	-1.00	-38.72
CSC1=CC=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668651	0	30	-1.0	-40.34	285.60	0.18	-40.16
CSC1=CC=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668651	1	30	-1.0	-40.33	285.54	0.17	-40.16
CC1=NN(C(C)C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668652	0	36	-1.0	-37.24	311.86	-0.74	-37.98
CC1=NN(C(C)C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668652	1	36	-1.0	-37.25	311.92	-0.72	-37.97
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(F)=CN=C1Cl	REAL250004668653	0	26	-1.0	-34.24	265.24	-1.62	-35.86
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(F)=CN=C1Cl	REAL250004668653	1	26	-1.0	-34.24	265.18	-1.64	-35.88
CC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(C)=N1	REAL250004668654	0	31	-1.0	-37.24	278.64	-1.75	-38.99
CC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(C)=N1	REAL250004668654	1	31	-1.0	-37.26	278.69	-1.73	-38.99
CN1C=CC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL250004668655	0	34	-1.0	-39.91	302.94	1.25	-38.66
CN1C=CC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL250004668655	1	34	-1.0	-39.93	303.00	1.27	-38.66
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C(F)F)=C1	REAL250004668656	0	30	-1.0	-37.38	281.20	0.36	-37.02
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C(F)F)=C1	REAL250004668656	1	30	-1.0	-37.40	281.26	0.37	-37.03
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1C1CC1	REAL250004668657	0	34	-1.0	-36.93	294.47	1.73	-35.20
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1C1CC1	REAL250004668657	1	34	-1.0	-36.93	294.53	1.74	-35.19
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NOC(C2CCC2)=C1	REAL250004668658	0	33	-1.0	-34.98	293.28	0.78	-34.20
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NOC(C2CCC2)=C1	REAL250004668658	1	33	-1.0	-35.01	293.34	0.79	-34.22
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C2CC2)=C1	REAL250004668659	0	34	-1.0	-37.88	297.94	1.60	-36.28
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C2CC2)=C1	REAL250004668659	1	34	-1.0	-37.88	298.00	1.62	-36.26
COCC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004668660	0	32	-1.0	-38.61	294.18	-3.56	-42.17
COCC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004668660	1	32	-1.0	-38.62	294.24	-3.55	-42.17
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C2OCCC2=C1	REAL250004668661	0	31	-1.0	-38.66	279.64	-3.69	-42.35
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C2OCCC2=C1	REAL250004668661	1	31	-1.0	-38.68	279.59	-3.70	-42.38
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C(F)F)C=N1	REAL250004668662	0	29	-1.0	-40.36	279.29	0.11	-40.25
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C(F)F)C=N1	REAL250004668662	1	29	-1.0	-40.37	279.23	0.10	-40.27
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C2CC2)C=N1	REAL250004668663	0	30	-1.0	-42.78	278.10	2.04	-40.74
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C2CC2)C=N1	REAL250004668663	1	30	-1.0	-42.80	278.05	2.02	-40.78
CCCN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668664	0	33	-1.0	-39.15	293.85	-0.14	-39.29
CCCN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668664	1	33	-1.0	-39.13	293.79	-0.16	-39.29
CC1=NC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL250004668665	0	29	-1.0	-36.07	279.58	-1.22	-37.29
CC1=NC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL250004668665	1	29	-1.0	-36.09	279.64	-1.21	-37.30
CC(F)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668666	0	33	-1.0	-36.81	296.59	0.96	-35.85
CC(F)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668666	1	33	-1.0	-36.85	296.64	0.97	-35.88
CC(C)CN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668667	0	36	-1.0	-38.80	309.20	0.67	-38.13
CC(C)CN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668667	1	36	-1.0	-38.83	309.15	0.66	-38.17
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(CCF)=C1	REAL250004668668	0	33	-1.0	-37.31	298.51	1.07	-36.24
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(CCF)=C1	REAL250004668668	1	33	-1.0	-37.31	298.57	1.08	-36.23
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=NN=N[N-]1	REAL250004668948	0	34	-1.0	-67.71	273.69	1.59	-66.12
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=NN=N[N-]1	REAL250004668948	1	34	-1.0	-69.61	275.60	2.04	-67.57
CS(=O)(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004669457	0	28	-1.0	-44.18	258.57	-0.88	-45.06
CS(=O)(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004669457	1	28	-1.0	-44.18	258.63	-0.86	-45.04
COCCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669458	0	31	-1.0	-50.99	286.92	-0.55	-51.54
COCCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669458	1	31	-1.0	-51.03	286.86	-0.54	-51.57
O=S(=O)(CCC1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669459	0	34	-1.0	-52.54	306.32	2.75	-49.79
O=S(=O)(CCC1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669459	1	34	-1.0	-52.48	306.38	2.74	-49.74
CCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669460	0	27	-1.0	-52.57	253.18	0.38	-52.19
CCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669460	1	27	-1.0	-52.53	253.25	0.37	-52.16
CCCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669461	0	30	-1.0	-52.37	274.68	1.18	-51.19
CCCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669461	1	30	-1.0	-52.34	274.75	1.17	-51.17
O=S(=O)(CCCCF)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669462	0	33	-1.0	-53.09	302.77	2.10	-50.99
O=S(=O)(CCCCF)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669462	1	33	-1.0	-53.00	302.84	2.09	-50.91
COC(C)CS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669464	0	34	-1.0	-55.30	305.72	0.53	-54.77
COC(C)CS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669464	1	34	-1.0	-55.30	305.65	0.54	-54.76
C#CCCCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669465	0	32	-1.0	-55.11	301.96	2.48	-52.63
C#CCCCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669465	1	32	-1.0	-55.09	302.02	2.47	-52.62
C=CCCCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669466	0	34	-1.0	-52.90	308.99	2.52	-50.38
C=CCCCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669466	1	34	-1.0	-52.88	309.06	2.51	-50.37
O=S(=O)(CC1(F)CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669467	0	31	-1.0	-42.36	286.10	2.12	-40.24
O=S(=O)(CC1(F)CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669467	1	31	-1.0	-42.40	286.04	2.13	-40.27
CCOCCS(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669468	0	34	-1.0	-50.88	308.78	0.42	-50.46
CCOCCS(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669468	1	34	-1.0	-50.95	308.71	0.43	-50.52
O=S(=O)(CC1CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669469	0	31	-1.0	-40.72	281.09	2.06	-38.66
O=S(=O)(CC1CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669469	1	31	-1.0	-40.71	281.16	2.05	-38.66
CCC(C#N)S(=O)(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669470	1	31	-1.0	-44.36	280.44	1.32	-43.04
CCC(C#N)S(=O)(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669470	1	31	-1.0	-44.44	280.38	1.33	-43.11
CCS(=O)(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004669471	0	27	-1.0	-43.19	254.88	0.55	-42.64
CCS(=O)(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004669471	1	27	-1.0	-43.15	254.95	0.55	-42.60
CCCS(=O)(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004669472	0	30	-1.0	-43.09	276.38	1.34	-41.75
CCCS(=O)(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004669472	1	30	-1.0	-43.04	276.45	1.33	-41.71
CS(=O)(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004669473	0	24	-1.0	-43.74	233.42	-0.34	-44.08
CS(=O)(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004669473	1	24	-1.0	-43.70	233.48	-0.35	-44.05
O=S(=O)(CC1CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004669474	0	31	-1.0	-43.62	286.47	2.13	-41.49
O=S(=O)(CC1CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004669474	1	31	-1.0	-43.57	286.54	2.12	-41.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(O)CNC1	REAL250004669486	1	33	-1.0	-42.35	286.81	-3.56	-45.91
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CNC1	REAL250004669486	1	33	-1.0	-42.34	286.87	-3.57	-45.91
C#CCNCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669492	0	33	-1.0	-44.25	301.03	1.35	-42.90
C#CCNCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669492	1	33	-1.0	-44.28	301.09	1.34	-42.94
NC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004669501	0	34	-1.0	-44.49	302.31	1.97	-42.52
NC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004669501	1	34	-1.0	-44.51	302.37	1.97	-42.54
N[C@H](CO)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669504	1	32	-1.0	-42.57	283.99	-3.65	-46.22
N[C@H](CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669504	1	32	-1.0	-42.48	284.06	-3.65	-46.13
NC1=CC=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669509	0	34	-1.0	-44.37	304.74	1.18	-43.19
NC1=CC=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669509	1	34	-1.0	-44.40	304.68	1.19	-43.21
NC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004669513	0	34	-1.0	-43.58	302.70	2.01	-41.57
NC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004669513	1	34	-1.0	-43.59	302.76	2.01	-41.58
NC(CO)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669515	1	32	-1.0	-42.52	284.00	-3.65	-46.17
NC(CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669515	1	32	-1.0	-42.51	284.06	-3.65	-46.16
NCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004669517	0	34	-1.0	-43.55	305.30	-2.59	-46.14
NCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004669517	1	34	-1.0	-43.53	305.37	-2.60	-46.13
CN1N=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1N	REAL250004669519	0	35	-1.0	-46.28	312.60	1.43	-44.85
CN1N=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1N	REAL250004669519	1	35	-1.0	-46.35	312.53	1.44	-44.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1COCCN1	REAL250004669524	0	36	-1.0	-42.43	305.64	-0.68	-43.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1COCCN1	REAL250004669524	1	36	-1.0	-42.39	305.70	-0.69	-43.08
CN1N=CC(N)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669528	0	35	-1.0	-44.22	313.03	0.54	-43.68
CN1N=CC(N)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669528	1	35	-1.0	-44.27	312.97	0.55	-43.72
CC(C)(O)[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669530	1	38	-1.0	-41.75	315.75	-1.37	-43.12
CN1N=C(N)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669532	0	35	-1.0	-43.59	309.05	1.42	-42.17
CN1N=C(N)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669532	1	35	-1.0	-43.62	308.98	1.43	-42.19
CN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=N1	REAL250004669538	0	35	-1.0	-46.00	309.36	1.83	-44.17
CN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=N1	REAL250004669538	1	35	-1.0	-46.01	309.30	1.83	-44.18
COC[C@H](N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669545	1	35	-1.0	-41.83	305.73	-1.19	-43.02
COC[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669545	1	35	-1.0	-41.78	305.79	-1.19	-42.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CSCN1	REAL250004669549	0	33	-1.0	-43.90	297.80	0.89	-43.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CSCN1	REAL250004669549	1	33	-1.0	-43.89	297.87	0.88	-43.01
NC(=O)C[C@H](N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669551	0	35	-1.0	-46.11	306.57	-3.34	-49.45
NC(=O)C[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669551	1	35	-1.0	-46.03	306.64	-3.35	-49.38
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL250004669560	0	34	-1.0	-68.28	301.22	0.93	-67.35
C[C@@H](O)[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669566	1	35	-1.0	-41.92	300.58	-2.43	-44.35
C[C@@H](O)[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669567	1	35	-1.0	-41.92	300.58	-2.43	-44.35
NCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL250004669570	0	35	-1.0	-42.45	309.95	0.75	-41.70
NCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004669570	1	35	-1.0	-42.37	310.01	0.74	-41.63
NC1=CN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004669578	0	35	-1.0	-48.85	312.88	0.98	-47.87
NC1=CN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004669578	1	35	-1.0	-48.86	312.82	0.99	-47.87
CO[C@H](C)[C@H](N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669585	1	38	-1.0	-41.93	323.75	-0.27	-42.20
CO[C@H](C)[C@H](N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669585	1	38	-1.0	-41.93	323.81	-0.28	-42.21
CN1C=C(N)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004669588	0	35	-1.0	-45.40	310.43	0.85	-44.55
CN1C=C(N)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004669588	1	35	-1.0	-45.42	310.37	0.86	-44.56
C[C@H](ON)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669590	0	32	-1.0	-44.43	285.65	1.16	-43.27
C[C@H](ON)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669590	1	32	-1.0	-44.40	285.71	1.15	-43.25
NCC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004669591	0	34	-1.0	-43.51	308.94	0.10	-43.41
NCC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004669591	1	34	-1.0	-43.49	309.00	0.09	-43.40
CCOCC(N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669596	1	38	-1.0	-41.73	327.59	-0.22	-41.95
CCOCC(N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669596	1	38	-1.0	-41.68	327.65	-0.23	-41.91
C[C@@H](ON)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669599	0	32	-1.0	-44.82	284.95	1.17	-43.65
C[C@@H](ON)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669599	1	32	-1.0	-44.81	285.01	1.16	-43.65
NOCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669601	0	35	-1.0	-44.82	307.63	0.90	-43.92
NOCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669601	1	35	-1.0	-44.84	307.69	0.89	-43.95
CC(C)(ON)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669604	0	35	-1.0	-44.56	299.55	1.92	-42.64
CC(C)(ON)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669604	1	35	-1.0	-44.57	299.61	1.91	-42.66
N[C@@H](CF)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669607	0	31	-1.0	-41.99	279.13	-0.16	-42.15
N[C@@H](CF)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669607	1	31	-1.0	-41.92	279.19	-0.17	-42.09
NC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004669616	1	36	-1.0	-42.72	303.65	-0.84	-43.56
NC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669618	0	35	-1.0	-48.52	306.21	3.44	-45.08
NC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669618	1	35	-1.0	-48.54	305.97	3.44	-45.10
NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(O)=C1	REAL250004669619	0	33	-1.0	-49.94	290.25	1.22	-48.72
NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(O)=C1	REAL250004669619	1	33	-1.0	-49.94	290.21	1.23	-48.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H](F)CN1	REAL250004669625	1	32	-1.0	-46.14	276.27	0.84	-45.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H](F)CN1	REAL250004669625	1	32	-1.0	-46.13	276.03	0.84	-45.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(O)CNC1	REAL250004669639	1	30	-1.0	-44.95	260.82	-3.85	-48.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CNC1	REAL250004669639	1	30	-1.0	-44.97	260.87	-3.86	-48.83
C#CCNCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669650	0	30	-1.0	-48.63	275.19	1.23	-47.40
C#CCNCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669650	1	30	-1.0	-48.63	275.24	1.22	-47.41
CC(C)OC[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669655	0	38	-1.0	-44.56	321.75	0.42	-44.14
CC(C)OC[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669655	1	38	-1.0	-44.56	321.78	0.41	-44.15
NC(CC1=NNC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669658	1	35	-1.0	-49.18	303.58	0.10	-49.08
NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004669669	0	31	-1.0	-47.24	276.48	1.86	-45.38
NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004669669	1	31	-1.0	-47.26	276.52	1.86	-45.40
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CNCCO1	REAL250004669671	1	36	-1.0	-42.19	294.01	-0.05	-42.24
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CNCCO1	REAL250004669671	1	36	-1.0	-42.18	294.06	-0.05	-42.23
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC(CN)=C1	REAL250004669676	0	35	-1.0	-43.92	306.18	1.43	-42.49
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(CN)=C1	REAL250004669676	1	35	-1.0	-43.93	306.21	1.42	-42.51
NCC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004669677	0	33	-1.0	-45.84	293.93	-0.24	-46.08
NCC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004669677	1	33	-1.0	-45.84	293.97	-0.23	-46.07
NC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669683	0	32	-1.0	-44.00	283.23	3.20	-40.80
NC1=CC(F)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669683	1	32	-1.0	-43.97	283.28	3.19	-40.78
NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C1	REAL250004669685	1	33	-1.0	-47.65	281.51	-2.39	-50.04
NC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669686	0	31	-1.0	-45.91	278.88	1.06	-44.85
NC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669686	1	31	-1.0	-45.88	278.83	1.07	-44.81
CNC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669692	0	35	-1.0	-46.94	301.49	3.69	-43.25
CNC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669692	1	35	-1.0	-46.98	301.53	3.67	-43.31
NC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL250004669693	0	31	-1.0	-46.79	276.91	1.88	-44.91
NC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL250004669693	1	31	-1.0	-46.78	276.87	1.88	-44.90
NCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL250004669702	0	31	-1.0	-45.97	279.46	-2.72	-48.69
NCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004669702	1	31	-1.0	-45.99	279.50	-2.72	-48.71
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1N	REAL250004669704	0	32	-1.0	-47.52	286.75	1.32	-46.20
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1N	REAL250004669704	1	32	-1.0	-47.59	286.71	1.34	-46.25
NC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL250004669708	0	28	-1.0	-46.70	268.65	1.03	-45.67
NC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL250004669708	1	28	-1.0	-46.69	268.61	1.02	-45.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1COCCN1	REAL250004669711	0	33	-1.0	-45.07	279.80	-0.80	-45.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1COCCN1	REAL250004669711	1	33	-1.0	-45.07	279.85	-0.81	-45.88
CN1N=CC(N)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669718	0	32	-1.0	-45.22	287.46	0.45	-44.77
CN1N=CC(N)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669718	1	32	-1.0	-45.19	287.42	0.45	-44.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1NCC2=NNC=C21	REAL250004669720	0	33	-1.0	-49.68	287.64	-0.82	-50.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1NCC2=NNC=C21	REAL250004669720	1	33	-1.0	-49.68	287.68	-0.83	-50.51
CC(C)(O)[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669726	1	35	-1.0	-46.11	290.14	-1.56	-47.67
CC(C)(O)[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669726	1	35	-1.0	-46.10	290.19	-1.57	-47.67
CN1N=C(N)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669729	0	32	-1.0	-45.85	282.56	1.33	-44.52
CN1N=C(N)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669729	1	32	-1.0	-45.84	282.52	1.33	-44.51
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=N1	REAL250004669740	0	32	-1.0	-50.98	283.52	1.70	-49.28
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=N1	REAL250004669740	1	32	-1.0	-50.98	283.47	1.70	-49.28
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CN1N=C(CN)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669753	1	35	-1.0	-44.95	304.61	0.20	-44.75
CN1N=C(CN)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669753	1	35	-1.0	-44.91	304.65	0.19	-44.72
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COC[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669755	1	32	-1.0	-44.72	279.94	-1.31	-46.03
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NC(=O)C[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669766	0	32	-1.0	-48.75	280.46	-3.45	-52.20
NC(=O)C[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669766	1	32	-1.0	-48.74	280.50	-3.46	-52.20
COC(=O)C[C@@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669770	0	34	-1.0	-46.75	300.99	0.46	-46.29
COC(=O)C[C@@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669770	1	34	-1.0	-47.11	300.74	0.46	-46.65
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CN1N=NC(CN)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669778	0	34	-1.0	-46.39	294.22	-1.02	-47.41
CN1N=NC(CN)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669778	1	34	-1.0	-46.41	294.26	-1.03	-47.44
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669787	0	34	-1.0	-98.62	297.45	1.41	-97.21
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL250004669788	0	31	-1.0	-68.14	275.52	0.77	-67.37
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12COC(CN1)C2	REAL250004669791	1	34	-1.0	-44.66	285.62	-0.49	-45.15
NC(CN1C=NC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669794	1	34	-1.0	-51.00	299.23	2.40	-48.60
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669797	1	32	-1.0	-48.91	274.32	-2.79	-51.70
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669797	1	32	-1.0	-48.95	274.36	-2.80	-51.75
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669799	1	32	-1.0	-48.91	274.32	-2.79	-51.70
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669799	1	32	-1.0	-48.95	274.36	-2.80	-51.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CNC(=O)CN1	REAL250004669804	0	33	-1.0	-49.82	286.14	-2.41	-52.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CNC(=O)CN1	REAL250004669804	1	33	-1.0	-49.88	286.18	-2.42	-52.30
NCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL250004669808	0	32	-1.0	-45.00	284.14	0.64	-44.36
NCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004669808	1	32	-1.0	-44.99	284.18	0.63	-44.36
CC1=NC(N)=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669812	0	33	-1.0	-46.03	288.23	2.93	-43.10
CC1=NC(N)=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669812	1	33	-1.0	-46.01	288.28	2.93	-43.08
CC(N)C1=NOC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669824	1	34	-1.0	-48.72	300.29	0.58	-48.14
CC(N)C1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669824	1	34	-1.0	-48.68	300.33	0.57	-48.11
NC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL250004669833	0	32	-1.0	-54.23	286.73	0.86	-53.37
NC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL250004669833	1	32	-1.0	-54.25	286.70	0.87	-53.38
COC(=O)[C@H](N)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669839	0	34	-1.0	-47.86	300.98	0.53	-47.33
COC(=O)[C@H](N)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669839	1	34	-1.0	-47.93	300.75	0.53	-47.40
CO[C@H](C)[C@H](N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669851	1	35	-1.0	-46.15	297.91	-0.40	-46.55
CO[C@H](C)[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669851	1	35	-1.0	-46.13	297.96	-0.41	-46.54
CN1C=C(N)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL250004669860	0	32	-1.0	-47.02	284.57	0.74	-46.28
CN1C=C(N)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL250004669860	1	32	-1.0	-47.07	284.53	0.75	-46.32
CN1N=CC=C1C(N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669868	0	35	-1.0	-47.20	304.27	0.11	-47.09
CN1N=CC=C1C(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669868	1	35	-1.0	-47.21	304.32	0.12	-47.09
CC(C)CC(ON)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669869	0	38	-1.0	-47.56	315.65	3.05	-44.51
CC(C)CC(ON)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669869	1	38	-1.0	-47.52	315.69	3.04	-44.48
NCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004669871	0	31	-1.0	-43.83	283.08	-0.02	-43.85
NCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004669871	1	31	-1.0	-43.84	283.12	-0.03	-43.87
CSC(C)C(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669877	1	35	-1.0	-43.67	303.87	1.40	-42.27
CCOCC(N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669880	0	35	-1.0	-44.20	302.26	-0.39	-44.59
CCOCC(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669880	1	35	-1.0	-44.26	302.31	-0.39	-44.65
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCNC1	REAL250004669886	0	36	-1.0	-43.53	303.43	1.34	-42.19
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCNC1	REAL250004669886	1	36	-1.0	-43.51	303.47	1.33	-42.18
NOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669887	0	32	-1.0	-49.47	281.80	0.77	-48.70
NOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669887	1	32	-1.0	-49.45	281.84	0.76	-48.69
C[C@@H]1CNC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004669888	1	36	-1.0	-47.91	295.83	0.75	-47.16
C[C@@H]1CNC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004669888	1	36	-1.0	-47.90	295.88	0.74	-47.16
CC(C)(ON)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669893	0	32	-1.0	-48.75	273.46	1.70	-47.05
CC(C)(ON)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669893	1	32	-1.0	-48.76	273.50	1.69	-47.07
CCSC[C@H](N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669896	1	35	-1.0	-44.59	310.63	1.71	-42.88
NC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL250004669903	0	32	-1.0	-51.10	285.20	2.87	-48.23
NC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL250004669903	1	32	-1.0	-51.10	285.25	2.87	-48.23
N[C@@H](CF)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669905	0	28	-1.0	-45.44	252.48	-0.27	-45.71
N[C@@H](CF)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669905	1	28	-1.0	-45.41	252.52	-0.28	-45.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=C1CNC2	REAL250004669909	0	33	-1.0	-50.17	290.45	0.82	-49.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C1CNC2	REAL250004669909	1	33	-1.0	-50.12	290.49	0.81	-49.31
NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1	REAL250004669922	1	32	-1.0	-44.82	282.68	1.25	-43.57
C[C@@H]1OCCN[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669923	0	36	-1.0	-44.62	295.89	0.30	-44.32
C[C@@H]1OCCN[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669923	1	36	-1.0	-44.62	295.94	0.29	-44.33
NC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL250004669928	1	33	-1.0	-44.85	277.50	-0.94	-45.79
NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004669928	1	33	-1.0	-44.82	277.55	-0.95	-45.77
NC(C(=O)NC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004669932	0	25	-1.0	-44.33	233.49	1.63	-42.70
NC(C(=O)NC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004669932	1	25	-1.0	-44.37	233.40	1.65	-42.72
NC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL250004669940	0	25	-1.0	-42.51	240.52	1.76	-40.75
NC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL250004669940	1	25	-1.0	-42.56	240.43	1.78	-40.78
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)NC1=N[N-]N=N1	REAL250004669943	1	35	-1.0	-49.59	298.92	2.47	-47.12
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)NC1=NN=N[N-]1	REAL250004669943	1	35	-1.0	-49.65	298.83	2.49	-47.16
NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004669947	0	25	-1.0	-45.55	239.10	2.84	-42.71
NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004669947	1	25	-1.0	-45.64	239.01	2.86	-42.78
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004669948	0	25	-1.0	-43.07	232.28	1.75	-41.32
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004669948	1	25	-1.0	-43.15	232.19	1.75	-41.40
NC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004669952	0	28	-1.0	-41.41	263.21	2.50	-38.91
NC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004669952	1	28	-1.0	-41.48	263.12	2.52	-38.96
N#CC1=CC=C2C(=C1)CCNC2C(=O)NC1=N[N-]N=N1	REAL250004669954	0	30	-1.0	-45.30	264.22	3.36	-41.94
N#CC1=CC=C2C(=C1)CCNC2C(=O)NC1=NN=N[N-]1	REAL250004669954	1	30	-1.0	-45.39	264.13	3.37	-42.02
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004669955	0	28	-1.0	-43.77	263.20	2.52	-41.25
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004669955	1	28	-1.0	-43.83	263.11	2.52	-41.31
CC(N)(C(=O)NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004669957	0	30	-1.0	-43.70	267.23	2.85	-40.85
CC(N)(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004669957	1	30	-1.0	-43.81	267.13	2.87	-40.94
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004669963	0	25	-1.0	-43.36	245.76	2.14	-41.22
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004669963	1	25	-1.0	-43.40	245.67	2.15	-41.25
NC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL250004669964	0	28	-1.0	-40.97	254.92	2.36	-38.61
NC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004669964	1	28	-1.0	-41.05	254.83	2.38	-38.67
NC(CC1=CC2=CC=CC=C2O1)C(=O)NC1=N[N-]N=N1	REAL250004669971	1	31	-1.0	-45.05	275.17	2.80	-42.25
NC(CC1=CC2=CC=CC=C2O1)C(=O)NC1=NN=N[N-]1	REAL250004669971	1	31	-1.0	-45.08	275.08	2.81	-42.27
CC1=CC(F)=C2CC(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL250004669978	0	29	-1.0	-45.37	258.44	3.74	-41.63
CC1=CC(F)=C2CC(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL250004669978	1	29	-1.0	-45.48	258.35	3.75	-41.73
COC1=CC2=C(C=C1OC)NC(C(=O)NC1=N[N-]N=N1)C2	REAL250004669979	0	34	-1.0	-48.08	289.38	2.20	-45.88
COC1=CC2=C(C=C1OC)NC(C(=O)NC1=NN=N[N-]1)C2	REAL250004669979	1	34	-1.0	-48.17	289.29	2.21	-45.96
O=C(NC1=N[N-]N=N1)C1NCCOC2=CC=CC=C21	REAL250004669982	0	30	-1.0	-48.48	246.46	2.55	-45.93
O=C(NC1=NN=N[N-]1)C1NCCOC2=CC=CC=C21	REAL250004669982	1	30	-1.0	-48.52	246.37	2.56	-45.96
O=C(CC1CNCCS1(=O)=O)NC1=N[N-]N=N1	REAL250004669995	0	28	-1.0	-57.40	243.38	-1.61	-59.01
O=C(CC1CNCCS1(=O)=O)NC1=NN=N[N-]1	REAL250004669995	1	28	-1.0	-57.48	243.28	-1.60	-59.08
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C(C)N)S1	REAL250004669997	1	27	-1.0	-44.78	250.26	0.08	-44.70
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C(C)N)S1	REAL250004669997	1	27	-1.0	-44.87	250.16	0.09	-44.78
CO[C@]1(C(F)(F)F)CN[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004669998	1	29	-1.0	-41.80	252.21	-0.74	-42.54
CO[C@]1(C(F)(F)F)CN[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004669998	1	29	-1.0	-41.85	252.12	-0.73	-42.58
COC1=CC=C(F)C2=C1CC(C(=O)NC1=N[N-]N=N1)N2	REAL250004669999	0	30	-1.0	-45.28	265.28	2.15	-43.13
COC1=CC=C(F)C2=C1CC(C(=O)NC1=NN=N[N-]1)N2	REAL250004669999	1	30	-1.0	-45.34	265.18	2.16	-43.18
COC1=CC=CC2=C1CCC2(N)C(=O)NC1=N[N-]N=N1	REAL250004670000	1	33	-1.0	-46.51	276.22	1.96	-44.55
COC1=CC=CC2=C1CCC2(N)C(=O)NC1=NN=N[N-]1	REAL250004670000	1	33	-1.0	-46.60	276.13	1.97	-44.63
O=C(CC1CCNC2=CC=CC=C21)NC1=N[N-]N=N1	REAL250004670009	0	32	-1.0	-43.33	261.64	4.19	-39.14
O=C(CC1CCNC2=CC=CC=C21)NC1=NN=N[N-]1	REAL250004670009	1	32	-1.0	-43.43	261.54	4.20	-39.23
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@@](O)(C(F)(F)F)CN1	REAL250004670016	1	26	-1.0	-43.33	238.93	-2.79	-46.12
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@@](O)(C(F)(F)F)CN1	REAL250004670016	1	26	-1.0	-43.39	238.83	-2.78	-46.17
NC1=CC=C2SC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL250004670040	0	25	-1.0	-45.24	241.68	3.10	-42.14
NC1=CC=C2SC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL250004670040	1	25	-1.0	-45.19	241.78	3.08	-42.11
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004670075	0	25	-1.0	-43.49	241.20	2.04	-41.45
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004670075	1	25	-1.0	-43.50	241.10	2.05	-41.45
COC1=CC=C2CC(C(=O)NC3=N[N-]N=N3)NC2=N1	REAL250004670081	0	29	-1.0	-48.19	257.55	0.69	-47.50
COC1=CC=C2CC(C(=O)NC3=NN=N[N-]3)NC2=N1	REAL250004670081	1	29	-1.0	-48.24	257.46	0.70	-47.54
N[C@H](COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004670084	0	32	-1.0	-42.58	282.67	1.60	-40.98
N[C@H](COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004670084	1	32	-1.0	-42.65	282.57	1.62	-41.03
N[C@@H](COCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004670085	0	32	-1.0	-41.78	283.18	1.55	-40.23
N[C@@H](COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004670085	1	32	-1.0	-41.83	283.09	1.57	-40.26
CC1=CC(C)=C(C(N)C(=O)NC2=N[N-]N=N2)C(C)=C1	REAL250004670086	0	34	-1.0	-42.91	268.51	3.90	-39.01
CC1=CC(C)=C(C(N)C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004670086	1	34	-1.0	-42.98	268.40	3.90	-39.08
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004670090	0	25	-1.0	-45.22	247.06	2.08	-43.14
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004670090	1	25	-1.0	-45.28	246.97	2.09	-43.19
O=C(CC1CCC2=CC=CC=C2N1)NC1=N[N-]N=N1	REAL250004670096	0	32	-1.0	-46.39	267.56	4.65	-41.74
O=C(CC1CCC2=CC=CC=C2N1)NC1=NN=N[N-]1	REAL250004670096	1	32	-1.0	-46.50	267.47	4.66	-41.84
C=CCOCC1(C(=O)NC2=N[N-]N=N2)CNCCO1	REAL250004670104	1	34	-1.0	-47.59	284.44	-0.01	-47.60
C=CCOCC1(C(=O)NC2=NN=N[N-]2)CNCCO1	REAL250004670104	1	34	-1.0	-47.67	284.35	0.00	-47.67
CCOC1=CC=C(C(N)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670108	0	32	-1.0	-45.01	275.83	1.73	-43.28
CCOC1=CC=C(C(N)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670108	1	32	-1.0	-45.10	275.73	1.74	-43.36
O=C(NC1=N[N-]N=N1)C1CNCCS(=O)(=O)C1	REAL250004670110	0	28	-1.0	-50.33	238.53	-2.42	-52.75
O=C(NC1=NN=N[N-]1)C1CNCCS(=O)(=O)C1	REAL250004670110	1	28	-1.0	-50.38	238.44	-2.41	-52.79
CC(C)CC(N)(C(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL250004670114	0	30	-1.0	-39.54	251.88	2.12	-37.42
CC(C)CC(N)(C(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL250004670114	1	30	-1.0	-39.58	251.79	2.14	-37.44
CC(C)(C)C1=CC=C(C(N)C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670119	0	37	-1.0	-42.69	300.67	3.83	-38.86
CC(C)(C)C1=CC=C(C(N)C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670119	1	37	-1.0	-42.72	300.58	3.85	-38.87
NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250004670120	0	35	-1.0	-45.91	298.67	4.92	-40.99
NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250004670120	1	35	-1.0	-45.94	298.58	4.93	-41.01
O=C(NC1=N[N-]N=N1)C1NCCC2=C1C=CC(F)=C2F	REAL250004670135	0	29	-1.0	-42.73	255.02	3.08	-39.65
O=C(NC1=NN=N[N-]1)C1NCCC2=C1C=CC(F)=C2F	REAL250004670135	1	29	-1.0	-42.80	254.93	3.09	-39.71
NC1CCC(C(=O)NC2=N[N-]N=N2)CCC1(F)F	REAL250004670137	1	31	-1.0	-44.94	245.89	1.56	-43.38
NC1CCC(C(=O)NC2=NN=N[N-]2)CCC1(F)F	REAL250004670137	1	31	-1.0	-45.01	245.80	1.58	-43.43
COC(=O)C1CC(CCC(=O)NC2=N[N-]N=N2)CN1	REAL250004670143	0	34	-1.0	-47.21	288.66	1.83	-45.38
COC(=O)C1CC(CCC(=O)NC2=NN=N[N-]2)CN1	REAL250004670143	1	34	-1.0	-47.30	288.57	1.84	-45.46
COC1=CC2=C(CC(C(=O)NC3=N[N-]N=N3)N2)C(OC)=C1	REAL250004670150	0	34	-1.0	-48.10	289.56	1.61	-46.49
COC1=CC2=C(CC(C(=O)NC3=NN=N[N-]3)N2)C(OC)=C1	REAL250004670150	1	34	-1.0	-48.17	289.47	1.62	-46.55
N[C@H](C(=O)NC1=N[N-]N=N1)[C@@H]1CC2=CC=CC=C2O1	REAL250004670154	1	30	-1.0	-44.65	262.01	1.53	-43.12
N[C@H](C(=O)NC1=NN=N[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL250004670154	1	30	-1.0	-44.70	261.92	1.56	-43.14
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)N)=N1	REAL250004670156	0	27	-1.0	-41.21	249.38	-0.01	-41.22
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)N)=N1	REAL250004670156	1	27	-1.0	-41.21	249.28	0.00	-41.21
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)NC1=N[N-]N=N1	REAL250004670158	1	31	-1.0	-47.20	250.28	-1.39	-48.59
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)NC1=NN=N[N-]1	REAL250004670158	1	31	-1.0	-47.24	250.19	-1.38	-48.62
COC1=CC=CC2=C1CC(C(=O)NC1=N[N-]N=N1)N2	REAL250004670161	0	30	-1.0	-46.86	260.07	2.30	-44.56
COC1=CC=CC2=C1CC(C(=O)NC1=NN=N[N-]1)N2	REAL250004670161	1	30	-1.0	-46.95	259.97	2.31	-44.64
NC(C(=O)NC1=N[N-]N=N1)(C1CC1)C(F)(F)F	REAL250004670162	0	25	-1.0	-40.44	225.02	1.20	-39.24
NC(C(=O)NC1=NN=N[N-]1)(C1CC1)C(F)(F)F	REAL250004670162	1	25	-1.0	-40.51	224.92	1.21	-39.30
CC(C)C(N)(C(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL250004670163	0	27	-1.0	-41.42	229.54	0.88	-40.54
CC(C)C(N)(C(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL250004670163	1	27	-1.0	-41.48	229.45	0.88	-40.60
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=C1CCNC2	REAL250004670166	1	29	-1.0	-42.48	245.10	2.55	-39.93
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=C1CCNC2	REAL250004670166	1	29	-1.0	-42.40	245.19	2.53	-39.87
COC1=CC=C(C)C2=C1CC(C(=O)NC1=N[N-]N=N1)N2	REAL250004670172	0	33	-1.0	-50.25	281.17	2.75	-47.50
COC1=CC=C(C)C2=C1CC(C(=O)NC1=NN=N[N-]1)N2	REAL250004670172	1	33	-1.0	-50.36	281.08	2.76	-47.60
NC1=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C2S1	REAL250004670174	0	24	-1.0	-53.10	237.22	1.15	-51.95
NC1=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C2S1	REAL250004670174	1	24	-1.0	-53.07	237.33	1.14	-51.93
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@H](C(F)(F)F)N1	REAL250004670176	0	25	-1.0	-47.92	232.01	0.84	-47.08
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@H](C(F)(F)F)N1	REAL250004670176	1	25	-1.0	-47.95	231.92	0.85	-47.10
NC1=C2C=CN(CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL250004670190	0	29	-1.0	-49.71	260.04	3.83	-45.88
NC1=C2C=CN(CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL250004670190	1	29	-1.0	-49.61	260.13	3.82	-45.79
O=C(CCNOCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL250004670194	0	32	-1.0	-46.94	285.38	3.66	-43.28
O=C(CCNOCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL250004670194	1	32	-1.0	-46.99	285.29	3.68	-43.31
CS(=O)(=O)[C@H]1CN[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004670207	1	28	-1.0	-53.75	253.26	-2.91	-56.66
CS(=O)(=O)[C@H]1CN[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004670207	1	28	-1.0	-53.83	253.18	-2.89	-56.72
CCCC(NC(=O)CC1=CC=CC(N)=C1)C1=N[N-]N=N1	REAL250004670211	0	37	-1.0	-47.60	314.01	2.16	-45.44
CCCC(NC(=O)CC1=CC=CC(N)=C1)C1=NN=N[N-]1	REAL250004670211	1	37	-1.0	-47.62	314.07	2.18	-45.44
CCCC(NC(=O)C1=CC=C(N)C=C1O)C1=N[N-]N=N1	REAL250004670212	0	35	-1.0	-51.51	298.01	0.03	-51.48
CCCC(NC(=O)C1=CC=C(N)C=C1O)C1=NN=N[N-]1	REAL250004670212	1	35	-1.0	-51.49	298.07	0.05	-51.44
CCCC(NC(=O)C1=CC2=C(CNC2)S1)C1=N[N-]N=N1	REAL250004670227	1	35	-1.0	-46.25	307.20	0.56	-45.69
CCCC(NC(=O)C1=CC2=C(CNC2)S1)C1=NN=N[N-]1	REAL250004670227	1	35	-1.0	-46.24	307.26	0.58	-45.66
CCCC(NC(=O)C(C)N1CCNCC1=O)C1=N[N-]N=N1	REAL250004670232	0	41	-1.0	-53.68	326.93	0.31	-53.37
CCCC(NC(=O)C(C)N1CCNCC1=O)C1=NN=N[N-]1	REAL250004670232	1	41	-1.0	-53.75	326.98	0.33	-53.42
CCCC(NC(=O)[C@@H](N)COC(C)C)C1=N[N-]N=N1	REAL250004670235	1	40	-1.0	-44.54	329.81	-0.87	-45.41
CCCC(NC(=O)[C@@H](N)COC(C)C)C1=NN=N[N-]1	REAL250004670235	1	40	-1.0	-44.57	329.87	-0.86	-45.43
CCCC(NC(=O)C1=CC=C(N)N=C1)C1=N[N-]N=N1	REAL250004670243	0	33	-1.0	-47.07	284.26	0.59	-46.48
CCCC(NC(=O)C1=CC=C(N)N=C1)C1=NN=N[N-]1	REAL250004670243	1	33	-1.0	-47.08	284.31	0.60	-46.48
CCCC(NC(=O)C1=C(C)C=C(CN)O1)C1=N[N-]N=N1	REAL250004670248	1	37	-1.0	-46.69	314.28	0.13	-46.56
CCCC(NC(=O)C1=C(C)C=C(CN)O1)C1=NN=N[N-]1	REAL250004670248	1	37	-1.0	-46.72	314.34	0.15	-46.57
CCCC(NC(=O)C1=CN=C(CN)N=C1)C1=N[N-]N=N1	REAL250004670249	1	35	-1.0	-43.71	302.01	-1.52	-45.23
CCCC(NC(=O)C1=CN=C(CN)N=C1)C1=NN=N[N-]1	REAL250004670249	1	35	-1.0	-43.74	302.06	-1.50	-45.24
CCCC(NC(=O)C1=CC(N)=CC=C1Cl)C1=N[N-]N=N1	REAL250004670250	0	34	-1.0	-48.72	301.90	2.00	-46.72
CCCC(NC(=O)C1=CC(N)=CC=C1Cl)C1=NN=N[N-]1	REAL250004670250	1	34	-1.0	-48.71	301.95	2.02	-46.69
CCCC(NC(=O)C1=CC(N)=CC=N1)C1=N[N-]N=N1	REAL250004670258	0	33	-1.0	-48.13	286.62	-0.22	-48.35
CCCC(NC(=O)C1=CC(N)=CC=N1)C1=NN=N[N-]1	REAL250004670258	1	33	-1.0	-48.14	286.68	-0.20	-48.34
C=CCOC(=O)[C@@H](N)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670262	0	40	-1.0	-45.98	343.55	0.76	-45.22
C=CCOC(=O)[C@@H](N)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670262	1	40	-1.0	-46.00	343.60	0.77	-45.23
CCCC(NC(=O)C1=CC=CC(NC)=C1)C1=N[N-]N=N1	REAL250004670264	0	37	-1.0	-48.05	309.29	2.42	-45.63
CCCC(NC(=O)C1=CC=CC(NC)=C1)C1=NN=N[N-]1	REAL250004670264	1	37	-1.0	-48.04	309.34	2.43	-45.61
CCCC(NC(=O)C1=CC=NC(N)=C1)C1=N[N-]N=N1	REAL250004670265	0	33	-1.0	-46.05	284.65	0.61	-45.44
CCCC(NC(=O)C1=CC=NC(N)=C1)C1=NN=N[N-]1	REAL250004670265	1	33	-1.0	-46.07	284.71	0.62	-45.45
CCCC(NC(=O)CCC1=CN=C(N)S1)C1=NN=N[N-]1	REAL250004670266	0	36	-1.0	-46.16	320.43	1.30	-44.86
CCCC(NC(=O)CCC1=CN=C(N)S1)C1=N[N-]N=N1	REAL250004670266	1	36	-1.0	-46.16	320.37	1.28	-44.88
CCCC(NC(=O)C1=NN(C)C(N)=C1)C1=NN=N[N-]1	REAL250004670272	0	34	-1.0	-49.80	294.55	0.07	-49.73
CCCC(NC(=O)C1=NN(C)C(N)=C1)C1=N[N-]N=N1	REAL250004670272	1	34	-1.0	-49.80	294.49	0.05	-49.75
CCCC(NC(=O)C1=CN=C(N)S1)C1=NN=N[N-]1	REAL250004670277	0	30	-1.0	-47.10	276.74	-0.25	-47.35
CCCC(NC(=O)C1=CN=C(N)S1)C1=N[N-]N=N1	REAL250004670277	1	30	-1.0	-47.10	276.69	-0.26	-47.36
CCCC(NC(=O)C1=CSC(C(C)N)=N1)C1=N[N-]N=N1	REAL250004670281	0	36	-1.0	-47.63	319.04	-0.96	-48.59
CCCC(NC(=O)C1=CSC(C(C)N)=N1)C1=NN=N[N-]1	REAL250004670281	1	36	-1.0	-47.58	319.10	-0.94	-48.52
CCCC(NC(=O)C1=CC=NC2=C1CCN2)C1=N[N-]N=N1	REAL250004670283	0	37	-1.0	-46.28	307.60	1.97	-44.31
CCCC(NC(=O)C1=CC=NC2=C1CCN2)C1=NN=N[N-]1	REAL250004670283	1	37	-1.0	-46.25	307.66	1.99	-44.26
CCCC(NC(=O)C1=CC=CC2=C1CCN2)C1=N[N-]N=N1	REAL250004670284	0	38	-1.0	-47.92	312.22	2.79	-45.13
CCCC(NC(=O)C1=CC=CC2=C1CCN2)C1=NN=N[N-]1	REAL250004670284	1	38	-1.0	-47.96	312.27	2.80	-45.16
CCCC(NC(=O)C1CNC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004670290	0	38	-1.0	-48.71	315.87	2.60	-46.11
CCCC(NC(=O)C1CNC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004670290	1	38	-1.0	-48.74	315.93	2.62	-46.12
CCCC(NC(=O)C1=CC=C2CCNC2=C1)C1=N[N-]N=N1	REAL250004670292	0	38	-1.0	-49.08	314.27	2.81	-46.27
CCCC(NC(=O)C1=CC=C2CCNC2=C1)C1=NN=N[N-]1	REAL250004670292	1	38	-1.0	-49.11	314.33	2.82	-46.29
CCCC(NC(=O)C1=CC(N)=NN1C)C1=NN=N[N-]1	REAL250004670295	0	34	-1.0	-44.69	291.07	0.06	-44.63
CCCC(NC(=O)C1=CC(N)=NN1C)C1=N[N-]N=N1	REAL250004670295	1	34	-1.0	-44.67	291.01	0.04	-44.63
CCCC(NC(=O)CCC1=C(N)C=NN1C)C1=N[N-]N=N1	REAL250004670296	0	40	-1.0	-45.27	335.89	0.57	-44.70
CCCC(NC(=O)CCC1=C(N)C=NN1C)C1=NN=N[N-]1	REAL250004670296	1	40	-1.0	-45.29	335.94	0.59	-44.70
CCCC(NC(=O)C(N)CC1=NC=CS1)C1=N[N-]N=N1	REAL250004670309	1	36	-1.0	-44.76	320.43	-0.80	-45.56
CCCC(NC(=O)C(N)CC1=NC=CS1)C1=NN=N[N-]1	REAL250004670309	1	36	-1.0	-44.74	320.49	-0.78	-45.52
CCCC(NC(=O)C1=CC(CN)=NN1C)C1=N[N-]N=N1	REAL250004670317	1	37	-1.0	-44.58	312.73	-1.09	-45.67
CCCC(NC(=O)C1=CC(CN)=NN1C)C1=NN=N[N-]1	REAL250004670317	1	37	-1.0	-44.61	312.78	-1.07	-45.68
CCCC(NC(=O)CC1=CSC(CN)=N1)C1=N[N-]N=N1	REAL250004670318	1	36	-1.0	-54.63	320.31	-0.86	-55.49
CCCC(NC(=O)CC1=CSC(CN)=N1)C1=NN=N[N-]1	REAL250004670318	1	36	-1.0	-54.64	320.36	-0.84	-55.48
CCCC(NC(=O)C1=CN=C(CN)S1)C1=N[N-]N=N1	REAL250004670320	0	33	-1.0	-45.16	299.35	-1.54	-46.70
CCCC(NC(=O)C1=CN=C(CN)S1)C1=NN=N[N-]1	REAL250004670320	1	33	-1.0	-45.08	299.41	-1.53	-46.61
CCCC(NC(=O)C1=C(C)SC(CN)=N1)C1=N[N-]N=N1	REAL250004670322	0	36	-1.0	-48.09	316.48	-0.88	-48.97
CCCC(NC(=O)C1=C(C)SC(CN)=N1)C1=NN=N[N-]1	REAL250004670322	1	36	-1.0	-48.01	316.53	-0.87	-48.88
CCCC(NC(=O)C1=C2CNCCN2N=C1)C1=N[N-]N=N1	REAL250004670323	0	38	-1.0	-47.20	313.71	-0.76	-47.96
CCCC(NC(=O)C1=C2CNCCN2N=C1)C1=NN=N[N-]1	REAL250004670323	1	38	-1.0	-47.23	313.77	-0.75	-47.98
CCCC(NC(=O)[C@@H](N)CC(N)=O)C1=N[N-]N=N1	REAL250004670333	0	34	-1.0	-48.57	291.01	-4.76	-53.33
CCCC(NC(=O)[C@@H](N)CC(N)=O)C1=NN=N[N-]1	REAL250004670333	1	34	-1.0	-48.54	291.06	-4.74	-53.28
CCCC(NC(=O)[C@H](N)CC(=O)OC)C1=N[N-]N=N1	REAL250004670338	1	36	-1.0	-42.54	306.31	-0.85	-43.39
CCCC(NC(=O)[C@H](N)CC(=O)OC)C1=NN=N[N-]1	REAL250004670338	1	36	-1.0	-42.53	306.37	-0.83	-43.36
CCCC(NC(=O)C1C2NCCOC21)C1=N[N-]N=N1	REAL250004670340	0	36	-1.0	-44.70	287.13	-1.30	-46.00
CCCC(NC(=O)C1C2NCCOC21)C1=NN=N[N-]1	REAL250004670340	1	36	-1.0	-44.67	287.19	-1.28	-45.95
CCCC(NC(=O)C1=C(C)N=C(CN)S1)C1=N[N-]N=N1	REAL250004670347	0	36	-1.0	-45.25	316.36	-0.92	-46.17
CCCC(NC(=O)C1=C(C)N=C(CN)S1)C1=NN=N[N-]1	REAL250004670347	1	36	-1.0	-45.28	316.42	-0.90	-46.18
CCCC(NC(=O)C1=C2CNCCN2C=N1)C1=NN=N[N-]1	REAL250004670354	1	38	-1.0	-51.05	314.17	0.76	-50.29
CCCC(NC(=O)C1=C2CNCCN2C=N1)C1=N[N-]N=N1	REAL250004670354	1	38	-1.0	-51.06	314.11	0.75	-50.31
CCCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=N[N-]N=N1	REAL250004670366	0	36	-1.0	-81.17	305.50	0.13	-81.04
CCCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=NN=N[N-]1	REAL250004670366	1	36	-1.0	-81.12	305.56	0.15	-80.97
CCCC(NC(=O)C[C@H]([NH3+])C(=O)[O-])C1=N[N-]N=N1	REAL250004670367	0	33	-1.0	-55.30	283.11	-0.47	-55.77
CCCC(NC(=O)C[C@H]([NH3+])C(=O)[O-])C1=NN=N[N-]1	REAL250004670367	1	33	-1.0	-55.33	283.17	-0.46	-55.79
CCCC(NC(=O)C1CNCC2=CNN=C21)C1=N[N-]N=N1	REAL250004670372	1	38	-1.0	-49.30	312.50	-1.22	-50.52
CCCC(NC(=O)C1CNCC2=CNN=C21)C1=NN=N[N-]1	REAL250004670372	1	38	-1.0	-49.25	312.56	-1.21	-50.46
CCCC(NC(=O)C1=CN=C(N)N=C1C)C1=N[N-]N=N1	REAL250004670385	0	35	-1.0	-44.38	295.91	1.66	-42.72
CCCC(NC(=O)C1=CN=C(N)N=C1C)C1=NN=N[N-]1	REAL250004670385	1	35	-1.0	-44.36	295.97	1.68	-42.68
CCCC(NC(=O)[C@H]1C[C@](N)(C(=O)OC)C1)C1=N[N-]N=N1	REAL250004670387	0	40	-1.0	-43.44	333.40	0.14	-43.30
CCCC(NC(=O)[C@H]1C[C@](N)(C(=O)OC)C1)C1=NN=N[N-]1	REAL250004670387	1	40	-1.0	-43.44	333.46	0.16	-43.28
CCCC(NC(=O)CNCCC(F)(F)F)C1=NN=N[N-]1	REAL250004670398	1	36	-1.0	-43.56	316.91	0.62	-42.94
CCCC(NC(=O)CN1C=C(N)C=N1)C1=NN=N[N-]1	REAL250004670404	0	34	-1.0	-54.35	294.82	-0.40	-54.75
CCCC(NC(=O)CN1C=C(N)C=N1)C1=N[N-]N=N1	REAL250004670404	1	34	-1.0	-54.32	294.78	-0.41	-54.73
CCCC(NC(=O)C[C@@H](N)C(=O)OC)C1=N[N-]N=N1	REAL250004670411	0	36	-1.0	-43.32	306.30	-0.71	-44.03
CCCC(NC(=O)C[C@@H](N)C(=O)OC)C1=NN=N[N-]1	REAL250004670411	1	36	-1.0	-43.34	306.36	-0.69	-44.03
CCCC(NC(=O)C1=CC2=CC(N)=CC=C2N1)C1=NN=N[N-]1	REAL250004670413	0	38	-1.0	-47.37	323.31	1.44	-45.93
CCCC(NC(=O)C1=CC2=CC(N)=CC=C2N1)C1=N[N-]N=N1	REAL250004670413	1	38	-1.0	-47.37	323.25	1.43	-45.94
CCCC(NC(=O)[C@@H](N)[C@@H](C)OC)C1=N[N-]N=N1	REAL250004670420	1	37	-1.0	-44.43	305.69	-1.68	-46.11
CCCC(NC(=O)C1CNCC(F)(F)C1)C1=N[N-]N=N1	REAL250004670434	0	37	-1.0	-46.29	307.36	0.26	-46.03
CCCC(NC(=O)C1CNCC(F)(F)C1)C1=NN=N[N-]1	REAL250004670434	1	37	-1.0	-46.25	307.42	0.27	-45.98
CCCC(NC(=O)C(N)C1=CC=NN1C)C1=N[N-]N=N1	REAL250004670438	0	37	-1.0	-42.72	310.15	-1.10	-43.82
CCCC(NC(=O)C(N)C1=CC=NN1C)C1=NN=N[N-]1	REAL250004670438	1	37	-1.0	-42.68	310.21	-1.08	-43.76
CCCC(NC(=O)C(CC(C)C)ON)C1=N[N-]N=N1	REAL250004670442	0	40	-1.0	-47.66	326.79	1.84	-45.82
CCCC(NC(=O)C(CC(C)C)ON)C1=NN=N[N-]1	REAL250004670442	1	40	-1.0	-47.63	326.85	1.85	-45.78
CCCC(NC(=O)C1=NC=C(N)C=C1Cl)C1=NN=N[N-]1	REAL250004670443	0	33	-1.0	-50.13	299.11	0.32	-49.81
CCCC(NC(=O)C1=NC=C(N)C=C1Cl)C1=N[N-]N=N1	REAL250004670443	1	33	-1.0	-50.12	299.06	0.31	-49.81
CCCC(NC(=O)C1=NOC(CN)=C1)C1=N[N-]N=N1	REAL250004670446	0	33	-1.0	-45.58	290.89	-1.30	-46.88
CCCC(NC(=O)C1=NOC(CN)=C1)C1=NN=N[N-]1	REAL250004670446	1	33	-1.0	-45.59	290.94	-1.29	-46.88
CCCC(NC(=O)C(N)COCC)C1=N[N-]N=N1	REAL250004670451	1	37	-1.0	-41.99	310.05	-1.67	-43.66
CCCC(NC(=O)C(N)COCC)C1=NN=N[N-]1	REAL250004670451	1	37	-1.0	-41.97	310.11	-1.66	-43.63
CCCC(NC(=O)C1=CC=C(F)C(N)=C1F)C1=N[N-]N=N1	REAL250004670457	0	34	-1.0	-48.06	298.41	1.69	-46.37
CCCC(NC(=O)C1=CC=C(F)C(N)=C1F)C1=NN=N[N-]1	REAL250004670457	1	34	-1.0	-48.14	298.46	1.71	-46.43
CCCC(NC(=O)C1=CC=CC(N)=C1F)C1=N[N-]N=N1	REAL250004670468	0	34	-1.0	-52.20	292.98	1.60	-50.60
CCCC(NC(=O)C1=CC=CC(N)=C1F)C1=NN=N[N-]1	REAL250004670468	1	34	-1.0	-52.19	293.04	1.61	-50.58
CCCC(NC(=O)C1=COC2=C1CNC2)C1=N[N-]N=N1	REAL250004670478	0	35	-1.0	-50.43	298.22	-0.47	-50.90
CCCC(NC(=O)C1=COC2=C1CNC2)C1=NN=N[N-]1	REAL250004670478	1	35	-1.0	-50.43	298.28	-0.46	-50.89
CCCC(NC(=O)C1CNC2(CCC2)CO1)C1=N[N-]N=N1	REAL250004670486	1	42	-1.0	-49.37	334.00	0.79	-48.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H](F)CN1	REAL250004670495	1	33	-1.0	-43.71	282.74	-1.01	-44.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CNC1	REAL250004670502	1	31	-1.0	-44.31	266.95	-5.48	-49.79
C#CCNCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670508	0	31	-1.0	-49.98	281.64	-0.61	-50.59
NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL250004670516	0	32	-1.0	-44.73	282.65	0.02	-44.71
N[C@H](CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670519	1	30	-1.0	-45.91	264.61	-5.61	-51.52
NC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(O)C1	REAL250004670523	1	34	-1.0	-48.68	288.22	-4.24	-52.92
NC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004670524	0	32	-1.0	-46.66	285.02	-0.78	-47.44
NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=N1	REAL250004670528	0	32	-1.0	-44.15	283.04	0.04	-44.11
NC(CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670529	1	30	-1.0	-47.21	264.09	-5.56	-52.77
NOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670534	0	27	-1.0	-50.42	245.79	-1.61	-52.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1COCCN1	REAL250004670536	0	34	-1.0	-46.31	286.25	-2.65	-48.96
CC(C)(O)[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670537	1	36	-1.0	-42.18	296.64	-3.55	-45.73
COC[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670546	1	33	-1.0	-42.22	286.07	-3.14	-45.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CSCN1	REAL250004670549	0	31	-1.0	-44.93	278.60	-1.24	-46.17
NC(=O)C[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670551	0	33	-1.0	-50.62	287.18	-5.31	-55.93
[NH3+][C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)[O-]	REAL250004670559	0	32	-1.0	-67.80	281.80	-1.05	-68.85
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670565	1	33	-1.0	-50.35	281.04	-4.64	-54.99
C[C@@H](O)[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670566	1	33	-1.0	-50.35	281.04	-4.64	-54.99
CO[C@H](C)[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670579	1	36	-1.0	-45.10	302.15	-2.29	-47.39
C[C@H](ON)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670583	0	30	-1.0	-49.51	265.92	-0.89	-50.40
CCOCC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670588	1	36	-1.0	-45.98	308.19	-2.18	-48.16
C[C@@H](ON)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670590	0	30	-1.0	-46.17	265.92	-0.89	-47.06
NOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670591	0	33	-1.0	-50.51	288.24	-1.08	-51.59
CC(C)(ON)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670592	0	33	-1.0	-50.28	280.20	-0.14	-50.42
N[C@@H](CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670594	0	29	-1.0	-45.93	259.74	-2.12	-48.05
NC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL250004670600	1	34	-1.0	-45.75	283.97	-2.78	-48.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H](F)CN1	REAL250004670603	1	33	-1.0	-55.85	284.47	-0.98	-56.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CNC1	REAL250004670610	1	31	-1.0	-49.45	267.49	-5.52	-54.97
C#CCNCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670616	0	31	-1.0	-44.02	281.36	-0.60	-44.62
NC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL250004670624	0	32	-1.0	-51.80	282.94	0.01	-51.79
N[C@H](CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670627	1	30	-1.0	-48.81	264.60	-5.61	-54.42
NC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(O)C1	REAL250004670631	1	34	-1.0	-40.36	286.30	-4.24	-44.60
NC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL250004670632	0	32	-1.0	-50.38	285.28	-0.78	-51.16
NC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=N1	REAL250004670636	0	32	-1.0	-51.56	283.31	0.03	-51.53
NC(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670637	1	30	-1.0	-41.20	264.08	-5.56	-46.76
NOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670642	0	27	-1.0	-43.86	245.51	-1.62	-45.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1COCCN1	REAL250004670644	0	34	-1.0	-41.67	286.94	-2.61	-44.28
CC(C)(O)[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670645	1	36	-1.0	-41.17	294.64	-3.60	-44.77
COC[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670654	1	33	-1.0	-40.04	286.06	-3.14	-43.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CSCN1	REAL250004670657	0	31	-1.0	-40.33	277.39	-1.28	-41.61
NC(=O)C[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670659	0	33	-1.0	-52.03	286.93	-5.30	-57.33
[NH3+][C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)[O-]	REAL250004670667	0	32	-1.0	-64.36	281.64	-1.06	-65.42
C[C@@H](O)[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670673	1	33	-1.0	-54.25	280.79	-4.64	-58.89
C[C@@H](O)[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670674	1	33	-1.0	-54.25	280.79	-4.64	-58.89
CO[C@H](C)[C@H](N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670687	1	36	-1.0	-53.08	302.41	-2.29	-55.37
C[C@H](ON)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670691	0	30	-1.0	-53.09	265.91	-0.89	-53.98
CCOCC(N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670696	1	36	-1.0	-40.22	308.19	-2.18	-42.40
C[C@@H](ON)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670698	0	30	-1.0	-42.97	265.67	-0.90	-43.87
NOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670699	0	33	-1.0	-44.61	287.95	-1.07	-45.68
CC(C)(ON)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670700	0	33	-1.0	-43.71	280.19	-0.14	-43.85
N[C@@H](CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670702	0	29	-1.0	-49.31	258.94	-2.12	-51.43
NC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL250004670708	1	34	-1.0	-49.15	283.95	-2.78	-51.93
NC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004670770	0	33	-1.0	-44.31	287.77	0.92	-43.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNCCO1	REAL250004670774	1	34	-1.0	-45.19	286.71	-1.77	-46.96
NCC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670786	1	33	-1.0	-47.50	291.13	-4.45	-51.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CNCCO1	REAL250004670788	1	34	-1.0	-45.17	286.14	-1.75	-46.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CNCCO1	REAL250004670789	1	34	-1.0	-45.20	286.71	-1.77	-46.97
NC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004670812	0	32	-1.0	-46.66	285.02	-0.78	-47.44
NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=N1	REAL250004670813	0	32	-1.0	-44.15	283.04	0.04	-44.11
O=C(CCl)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004670816	0	26	-1.0	-46.21	249.21	2.48	-43.73
O=C(CCl)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004670816	1	26	-1.0	-46.17	249.16	2.46	-43.71
CC(C)(CCl)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004670818	0	35	-1.0	-43.47	304.75	4.35	-39.12
CC(C)(CCl)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004670818	1	35	-1.0	-43.46	304.70	4.33	-39.13
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCOC1	REAL250004670819	0	34	-1.0	-49.72	287.67	1.97	-47.75
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCOC1	REAL250004670819	1	34	-1.0	-49.75	287.61	1.95	-47.80
CCCC(NC(=O)C(C)(C)CCl)C1=N[N-]N=N1	REAL250004670820	0	34	-1.0	-42.04	290.06	3.02	-39.02
CCCC(NC(=O)C(C)(C)CCl)C1=NN=N[N-]1	REAL250004670820	1	34	-1.0	-42.09	290.12	3.03	-39.06
O=C(CCl)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670821	0	26	-1.0	-43.40	252.57	2.54	-40.86
O=C(CCl)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670821	1	26	-1.0	-43.40	252.64	2.53	-40.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004670822	1	26	-1.0	-40.43	255.82	2.30	-38.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004670822	1	26	-1.0	-40.37	255.89	2.30	-38.07
CC(C)(CCl)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670823	0	35	-1.0	-40.40	308.11	4.42	-35.98
CC(C)(CCl)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670823	1	35	-1.0	-40.36	308.18	4.42	-35.94
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004670824	0	34	-1.0	-43.36	290.98	2.04	-41.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004670824	1	34	-1.0	-43.33	291.05	2.03	-41.30
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL250004670825	0	24	-1.0	-38.60	221.94	-0.20	-38.80
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL250004670825	1	24	-1.0	-38.62	222.00	-0.17	-38.79
CC(C)(CCl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004670826	0	33	-1.0	-42.98	269.12	1.44	-41.54
CC(C)(CCl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004670826	1	33	-1.0	-43.00	269.18	1.46	-41.54
O=C(C1CCOC1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004670827	0	32	-1.0	-44.94	257.08	-0.53	-45.47
O=C(C1CCOC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004670827	1	32	-1.0	-44.95	257.14	-0.52	-45.47
O=C(CCl)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004670828	0	27	-1.0	-47.17	257.26	1.96	-45.21
O=C(CCl)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004670828	1	27	-1.0	-47.18	257.31	1.97	-45.21
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004670829	0	27	-1.0	-41.25	260.51	1.72	-39.53
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004670829	1	27	-1.0	-41.25	260.56	1.74	-39.51
CC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004670830	0	33	-1.0	-45.06	281.45	2.79	-42.27
CC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004670830	1	33	-1.0	-45.07	281.50	2.80	-42.27
CC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL250004670831	0	33	-1.0	-45.06	281.45	2.79	-42.27
CC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004670831	1	33	-1.0	-45.07	281.50	2.80	-42.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004670832	0	35	-1.0	-47.59	295.08	1.46	-46.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004670832	1	35	-1.0	-47.60	295.13	1.48	-46.12
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)(F)F	REAL250004670833	0	23	-1.0	-47.80	230.01	2.18	-45.62
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)(F)F	REAL250004670833	1	23	-1.0	-47.77	230.07	2.18	-45.59
CC(C)(CCl)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004670834	0	32	-1.0	-50.39	282.34	4.29	-46.10
CC(C)(CCl)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004670834	1	32	-1.0	-50.34	282.40	4.28	-46.06
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCOC1	REAL250004670835	0	31	-1.0	-54.58	264.80	1.94	-52.64
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCOC1	REAL250004670835	1	31	-1.0	-54.52	264.87	1.93	-52.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004670836	0	23	-1.0	-40.82	229.97	2.18	-38.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004670836	1	23	-1.0	-40.83	230.01	2.18	-38.65
CC(C)(CCl)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670837	0	32	-1.0	-43.46	282.03	4.30	-39.16
CC(C)(CCl)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670837	1	32	-1.0	-43.45	282.07	4.29	-39.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL250004670838	0	31	-1.0	-48.35	264.83	1.93	-46.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004670838	1	31	-1.0	-48.33	264.87	1.92	-46.41
CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004670839	0	23	-1.0	-40.32	232.12	2.39	-37.93
CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004670839	1	23	-1.0	-40.28	232.18	2.39	-37.89
CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004670840	0	26	-1.0	-48.73	252.44	3.21	-45.52
CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004670840	1	26	-1.0	-48.65	252.50	3.20	-45.45
CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL250004670841	0	23	-1.0	-40.32	232.12	2.39	-37.93
CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL250004670841	1	23	-1.0	-40.28	232.18	2.39	-37.89
CC(C)OCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670842	0	38	-1.0	-39.50	321.05	5.92	-33.58
CC(C)OCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670842	1	38	-1.0	-39.50	321.11	5.94	-33.56
CC(C)OCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670843	0	38	-1.0	-44.82	321.36	5.89	-38.93
CC(C)OCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670843	1	38	-1.0	-44.82	321.41	5.88	-38.94
O=C1CCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C12	REAL250004670844	0	31	-1.0	-43.55	271.88	5.47	-38.08
O=C1CCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C12	REAL250004670844	1	31	-1.0	-43.54	271.94	5.48	-38.06
O=C1CCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C12	REAL250004670845	0	31	-1.0	-45.93	272.11	5.44	-40.49
O=C1CCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C12	REAL250004670845	1	31	-1.0	-45.97	272.24	5.43	-40.54
NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004670846	0	27	-1.0	-39.52	250.12	2.55	-36.97
NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004670846	1	27	-1.0	-39.48	250.18	2.56	-36.92
NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004670847	0	27	-1.0	-46.12	250.53	2.53	-43.59
NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004670847	1	27	-1.0	-46.10	250.58	2.52	-43.58
CC=CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670848	0	36	-1.0	-40.05	309.77	6.16	-33.89
CC=CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670848	1	36	-1.0	-40.07	309.83	6.17	-33.90
CC=CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670849	0	36	-1.0	-44.16	310.08	6.12	-38.04
CC=CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670849	1	36	-1.0	-44.11	310.13	6.11	-38.00
C1=CNC(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)=N1	REAL250004670852	0	32	-1.0	-43.30	282.52	5.01	-38.29
C1=CNC(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)=N1	REAL250004670852	1	32	-1.0	-43.29	282.58	5.02	-38.27
C1=CNC(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)=N1	REAL250004670853	0	32	-1.0	-51.59	282.83	4.98	-46.61
C1=CNC(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)=N1	REAL250004670853	1	32	-1.0	-51.57	282.89	4.97	-46.60
CN(C)CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004670854	0	36	-1.0	-41.96	307.62	4.06	-37.90
CN(C)CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004670854	1	36	-1.0	-41.94	307.68	4.07	-37.87
CN(C)CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004670855	0	36	-1.0	-43.12	300.28	3.74	-39.38
CN(C)CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004670855	1	36	-1.0	-43.13	300.34	3.73	-39.40
C1=CC(N2CCCC2)=NC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670856	0	36	-1.0	-41.17	297.86	4.41	-36.76
C1=CC(N2CCCC2)=NC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670856	1	36	-1.0	-41.12	297.92	4.42	-36.70
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C(N2CCCC2)N=C1	REAL250004670857	0	36	-1.0	-44.25	298.17	4.37	-39.88
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C(N2CCCC2)N=C1	REAL250004670857	1	36	-1.0	-44.19	298.22	4.37	-39.82
CC(C)C1=NN(C)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670858	0	34	-1.0	-39.39	294.26	4.27	-35.12
CC(C)C1=NN(C)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670858	1	34	-1.0	-39.38	294.32	4.27	-35.11
CC(C)C1=NN(C)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670859	0	34	-1.0	-45.20	294.50	4.22	-40.98
CC(C)C1=NN(C)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670859	1	34	-1.0	-45.18	294.57	4.21	-40.97
COC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL250004670860	0	29	-1.0	-38.01	269.35	4.35	-33.66
COC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL250004670860	1	29	-1.0	-37.97	269.41	4.36	-33.61
COC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL250004670861	0	29	-1.0	-43.22	269.66	4.32	-38.90
COC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL250004670861	1	29	-1.0	-43.19	269.71	4.31	-38.88
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1CCC2	REAL250004670862	0	32	-1.0	-39.17	269.38	6.39	-32.78
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1CCC2	REAL250004670862	1	32	-1.0	-39.15	269.44	6.40	-32.75
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2CCCC2=C1	REAL250004670863	0	32	-1.0	-43.55	269.73	6.36	-37.19
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2CCCC2=C1	REAL250004670863	1	32	-1.0	-43.54	269.78	6.35	-37.19
C1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)CCCC2	REAL250004670864	0	35	-1.0	-39.01	286.58	6.97	-32.04
C1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)CCCC2	REAL250004670864	1	35	-1.0	-38.97	286.64	6.98	-31.99
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2CCCCC2=C1	REAL250004670865	0	35	-1.0	-43.37	286.89	6.94	-36.43
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2CCCCC2=C1	REAL250004670865	1	35	-1.0	-43.32	286.94	6.93	-36.39
C1=CC2=C(CCCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670866	0	35	-1.0	-39.07	287.38	6.96	-32.11
C1=CC2=C(CCCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670866	1	35	-1.0	-39.03	287.45	6.97	-32.06
C1=CC2=C(CCCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670867	0	35	-1.0	-42.33	287.66	6.93	-35.40
C1=CC2=C(CCCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670867	1	35	-1.0	-42.33	287.71	6.93	-35.40
ClC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004670868	0	24	-1.0	-39.90	235.94	3.16	-36.74
ClC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004670868	1	24	-1.0	-39.87	236.00	3.17	-36.70
ClC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004670869	0	24	-1.0	-42.56	236.25	3.13	-39.43
ClC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004670869	1	24	-1.0	-42.55	236.30	3.12	-39.43
CC1=C2SC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL250004670870	0	31	-1.0	-41.42	284.10	6.74	-34.68
CC1=C2SC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL250004670870	1	31	-1.0	-41.38	284.17	6.75	-34.63
CC1=C2SC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=CC=C1	REAL250004670871	0	31	-1.0	-43.02	284.41	6.70	-36.32
CC1=C2SC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=CC=C1	REAL250004670871	1	31	-1.0	-43.01	284.46	6.69	-36.32
CC1CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2O1	REAL250004670872	0	33	-1.0	-40.30	280.79	5.07	-35.23
CC1CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2O1	REAL250004670872	1	33	-1.0	-40.29	280.85	5.08	-35.21
CC1CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2O1	REAL250004670873	0	33	-1.0	-44.42	281.10	5.04	-39.38
CC1CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2O1	REAL250004670873	1	33	-1.0	-44.41	281.15	5.03	-39.38
CN(C)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670874	0	33	-1.0	-39.11	280.81	4.96	-34.15
CN(C)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670874	1	33	-1.0	-39.08	280.87	4.96	-34.12
CN(C)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670875	0	33	-1.0	-43.75	281.21	4.91	-38.84
CN(C)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670875	1	33	-1.0	-43.75	281.24	4.90	-38.85
CCCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004670876	0	35	-1.0	-37.46	307.87	5.71	-31.75
CCCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004670876	1	35	-1.0	-37.37	307.93	5.72	-31.65
CCCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004670877	0	35	-1.0	-44.58	308.28	5.69	-38.89
CCCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004670877	1	35	-1.0	-44.54	308.34	5.68	-38.86
COCCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670878	0	36	-1.0	-40.86	308.81	3.98	-36.88
COCCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670878	1	36	-1.0	-40.78	308.87	3.99	-36.79
COCCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670879	0	36	-1.0	-47.35	309.13	3.94	-43.41
COCCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670879	1	36	-1.0	-47.32	309.18	3.94	-43.38
COCCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670880	0	35	-1.0	-39.61	300.41	4.99	-34.62
COCCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670880	1	35	-1.0	-39.59	300.47	5.01	-34.58
COCCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670881	0	35	-1.0	-43.89	300.73	4.96	-38.93
COCCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670881	1	35	-1.0	-43.83	300.78	4.95	-38.88
COCCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670882	0	36	-1.0	-42.47	308.78	3.99	-38.48
COCCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670882	1	36	-1.0	-42.48	308.84	4.00	-38.48
COCCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670883	0	36	-1.0	-46.39	309.10	3.95	-42.44
COCCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670883	1	36	-1.0	-46.32	309.15	3.94	-42.38
C1=CC(C2CCC2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670884	0	35	-1.0	-38.95	289.57	7.08	-31.87
C1=CC(C2CCC2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670884	1	35	-1.0	-38.92	289.64	7.09	-31.83
C1=CC(C2CCC2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670885	0	35	-1.0	-43.03	289.89	7.04	-35.99
C1=CC(C2CCC2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670885	1	35	-1.0	-43.03	289.94	7.04	-35.99
OCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004670886	0	29	-1.0	-39.92	269.78	2.46	-37.46
OCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004670886	1	29	-1.0	-39.92	269.84	2.47	-37.45
OCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004670887	0	29	-1.0	-43.77	270.09	2.42	-41.35
OCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004670887	1	29	-1.0	-43.79	270.14	2.42	-41.37
CSCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670888	0	32	-1.0	-39.66	289.98	6.36	-33.30
CSCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670888	1	32	-1.0	-39.67	290.04	6.37	-33.30
CSCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670889	0	32	-1.0	-44.74	290.29	6.33	-38.41
CSCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670889	1	32	-1.0	-44.72	290.35	6.32	-38.40
CSCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670890	0	32	-1.0	-39.66	289.98	6.36	-33.30
CSCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670890	1	32	-1.0	-39.67	290.04	6.37	-33.30
CSCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670891	0	32	-1.0	-44.74	290.29	6.33	-38.41
CSCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670891	1	32	-1.0	-44.72	290.35	6.32	-38.40
CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C#N	REAL250004670892	0	29	-1.0	-40.97	266.69	5.25	-35.72
CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C#N	REAL250004670892	1	29	-1.0	-40.95	266.74	5.26	-35.69
CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C#N	REAL250004670893	0	29	-1.0	-50.31	267.05	5.23	-45.08
CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C#N	REAL250004670893	1	29	-1.0	-50.22	267.10	5.22	-45.00
COCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004670894	0	32	-1.0	-39.48	282.60	4.44	-35.04
COCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004670894	1	32	-1.0	-39.49	282.66	4.45	-35.04
COCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004670895	0	32	-1.0	-43.16	282.92	4.40	-38.76
COCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004670895	1	32	-1.0	-43.09	282.97	4.40	-38.69
COCCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670896	0	35	-1.0	-39.08	300.42	4.98	-34.10
COCCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670896	1	35	-1.0	-39.07	300.48	4.99	-34.08
COCCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670897	0	35	-1.0	-44.22	300.73	4.95	-39.27
COCCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670897	1	35	-1.0	-44.23	300.79	4.94	-39.29
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL250004670898	0	25	-1.0	-35.33	259.28	5.51	-29.82
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL250004670898	1	25	-1.0	-35.33	259.34	5.52	-29.81
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL250004670899	0	25	-1.0	-42.08	259.70	5.48	-36.60
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL250004670899	1	25	-1.0	-42.03	259.74	5.47	-36.56
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC(F)=C1F	REAL250004670900	0	25	-1.0	-36.86	242.83	4.67	-32.19
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC(F)=C1F	REAL250004670900	1	25	-1.0	-36.83	242.89	4.68	-32.15
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(F)=C1F	REAL250004670901	0	25	-1.0	-42.07	243.15	4.63	-37.44
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(F)=C1F	REAL250004670901	1	25	-1.0	-42.04	243.20	4.62	-37.42
CC(C)(C)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670902	0	37	-1.0	-38.82	299.98	6.80	-32.02
CC(C)(C)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670902	1	37	-1.0	-38.78	300.04	6.81	-31.97
CC(C)(C)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670903	0	37	-1.0	-43.00	300.30	6.77	-36.23
CC(C)(C)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670903	1	37	-1.0	-42.95	300.35	6.76	-36.19
CCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670904	0	31	-1.0	-39.04	266.74	5.92	-33.12
CCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670904	1	31	-1.0	-38.96	266.80	5.93	-33.03
CCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670905	0	31	-1.0	-43.19	267.05	5.89	-37.30
CCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670905	1	31	-1.0	-43.16	267.11	5.88	-37.28
COC1=CC(C)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004670906	0	35	-1.0	-39.37	295.09	5.12	-34.25
COC1=CC(C)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004670906	1	35	-1.0	-39.36	295.15	5.13	-34.23
COC1=CC(C)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004670907	0	35	-1.0	-42.96	296.88	5.20	-37.76
COC1=CC(C)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004670907	1	35	-1.0	-42.89	296.93	5.19	-37.70
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL250004670908	0	28	-1.0	-39.81	261.88	5.43	-34.38
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL250004670908	1	28	-1.0	-39.77	261.93	5.44	-34.33
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(F)C=C1F	REAL250004670909	0	28	-1.0	-41.47	262.16	5.39	-36.08
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(F)C=C1F	REAL250004670909	1	28	-1.0	-41.39	262.21	5.38	-36.01
CC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004670910	0	30	-1.0	-40.52	276.22	5.09	-35.43
CC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004670910	1	30	-1.0	-40.50	276.28	5.10	-35.40
CC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004670911	0	30	-1.0	-49.36	276.62	5.07	-44.29
CC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004670911	1	30	-1.0	-49.31	276.69	5.06	-44.25
ClC1=CC=C(Cl)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670912	0	25	-1.0	-36.80	259.29	5.52	-31.28
ClC1=CC=C(Cl)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670912	1	25	-1.0	-36.82	259.35	5.53	-31.29
ClC1=CC=C(Cl)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670913	0	25	-1.0	-41.90	259.68	5.49	-36.41
ClC1=CC=C(Cl)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670913	1	25	-1.0	-41.88	259.74	5.48	-36.40
FC(F)(F)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670914	0	28	-1.0	-39.23	259.76	5.29	-33.94
FC(F)(F)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670914	1	28	-1.0	-39.26	259.84	5.31	-33.95
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670915	0	28	-1.0	-45.87	260.06	5.25	-40.62
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670915	1	28	-1.0	-45.85	260.13	5.24	-40.61
ClC1=CC(Cl)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670916	0	25	-1.0	-36.37	257.31	5.51	-30.86
ClC1=CC(Cl)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670916	1	25	-1.0	-36.35	257.37	5.52	-30.83
ClC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(Cl)=C1	REAL250004670917	0	25	-1.0	-40.97	257.63	5.48	-35.49
ClC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(Cl)=C1	REAL250004670917	1	25	-1.0	-40.98	257.68	5.47	-35.51
ClC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670918	0	25	-1.0	-41.00	242.66	5.05	-35.95
ClC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670918	1	25	-1.0	-41.00	242.72	5.06	-35.94
ClC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670919	0	25	-1.0	-43.97	242.94	4.97	-39.00
ClC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670919	1	25	-1.0	-43.98	243.00	4.96	-39.02
COC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670920	0	29	-1.0	-40.20	257.78	4.10	-36.10
COC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670920	1	29	-1.0	-40.20	257.82	4.11	-36.09
COC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670921	0	29	-1.0	-45.38	258.13	4.06	-41.32
COC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670921	1	29	-1.0	-45.38	258.20	4.05	-41.33
O=[N+]([O-])C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670922	0	27	-1.0	-37.86	252.05	5.15	-32.71
O=[N+]([O-])C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670922	1	27	-1.0	-37.82	252.11	5.16	-32.66
O=[N+]([O-])C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670923	0	27	-1.0	-48.15	252.37	5.12	-43.03
O=[N+]([O-])C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670923	1	27	-1.0	-48.09	252.42	5.11	-42.98
CC(=O)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670924	0	30	-1.0	-41.97	264.33	4.86	-37.11
CC(=O)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670924	1	30	-1.0	-41.95	264.39	4.88	-37.07
CC(=O)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670925	0	30	-1.0	-50.94	265.41	4.85	-46.09
CC(=O)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670925	1	30	-1.0	-50.89	265.46	4.84	-46.05
CC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670926	0	30	-1.0	-39.93	266.42	4.97	-34.96
CC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670926	1	30	-1.0	-39.94	266.48	4.98	-34.96
CC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670927	0	30	-1.0	-47.35	265.15	4.86	-42.49
CC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670927	1	30	-1.0	-47.33	265.29	4.85	-42.48
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004670928	0	25	-1.0	-35.92	241.48	4.75	-31.17
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004670928	1	25	-1.0	-35.89	241.54	4.76	-31.13
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004670929	0	25	-1.0	-43.26	241.89	4.72	-38.54
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004670929	1	25	-1.0	-43.21	241.94	4.71	-38.50
COC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670930	0	29	-1.0	-38.87	253.33	3.78	-35.09
COC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670930	1	29	-1.0	-38.78	253.39	3.79	-34.99
COC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670931	0	29	-1.0	-45.00	253.65	3.75	-41.25
COC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670931	1	29	-1.0	-44.96	253.70	3.74	-41.22
CC(C)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670932	0	34	-1.0	-38.43	284.04	6.39	-32.04
CC(C)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670932	1	34	-1.0	-38.43	284.10	6.40	-32.03
CC(C)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670933	0	34	-1.0	-43.15	284.36	6.36	-36.79
CC(C)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670933	1	34	-1.0	-43.09	284.41	6.35	-36.74
FC(F)(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670934	0	28	-1.0	-36.83	262.90	5.50	-31.33
FC(F)(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670934	1	28	-1.0	-36.78	262.96	5.51	-31.27
FC(F)(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670935	0	28	-1.0	-44.38	262.88	5.45	-38.93
FC(F)(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670935	1	28	-1.0	-44.33	262.94	5.44	-38.89
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670936	0	28	-1.0	-37.71	262.55	5.48	-32.23
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670936	1	28	-1.0	-37.62	262.61	5.50	-32.12
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670937	0	28	-1.0	-42.50	262.86	5.45	-37.05
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670937	1	28	-1.0	-42.51	262.92	5.44	-37.07
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1OCC2	REAL250004670938	0	30	-1.0	-40.26	259.79	4.34	-35.92
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1OCC2	REAL250004670938	1	30	-1.0	-40.21	259.85	4.35	-35.86
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2OCCC2=C1	REAL250004670939	0	30	-1.0	-44.54	260.11	4.30	-40.24
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2OCCC2=C1	REAL250004670939	1	30	-1.0	-44.52	260.16	4.29	-40.23
OCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670940	0	29	-1.0	-40.83	256.67	1.80	-39.03
OCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670940	1	29	-1.0	-40.81	256.73	1.81	-39.00
OCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670941	0	29	-1.0	-45.71	256.98	1.77	-43.94
OCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670941	1	29	-1.0	-45.73	257.04	1.76	-43.97
CC(C)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670942	0	34	-1.0	-38.91	284.02	6.40	-32.51
CC(C)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670942	1	34	-1.0	-38.88	284.08	6.41	-32.47
CC(C)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670943	0	34	-1.0	-43.04	284.33	6.37	-36.67
CC(C)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670943	1	34	-1.0	-43.01	284.38	6.36	-36.65
COC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1OC	REAL250004670944	0	33	-1.0	-44.13	291.93	4.11	-40.02
COC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1OC	REAL250004670944	1	33	-1.0	-44.14	292.00	4.12	-40.02
COC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1OC	REAL250004670945	0	33	-1.0	-46.00	292.28	4.04	-41.96
COC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1OC	REAL250004670945	1	33	-1.0	-45.98	292.33	4.03	-41.95
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1OC	REAL250004670946	0	33	-1.0	-40.26	282.52	3.71	-36.55
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1OC	REAL250004670946	1	33	-1.0	-40.18	282.58	3.72	-36.46
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1OC	REAL250004670947	0	33	-1.0	-45.95	282.83	3.67	-42.28
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1OC	REAL250004670947	1	33	-1.0	-45.93	282.88	3.67	-42.26
C1=CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C=C1	REAL250004670948	0	31	-1.0	-39.35	270.95	6.66	-32.69
C1=CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C=C1	REAL250004670948	1	31	-1.0	-39.28	271.01	6.67	-32.61
C1=CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C=C1	REAL250004670949	0	31	-1.0	-44.21	271.31	6.62	-37.59
C1=CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C=C1	REAL250004670949	1	31	-1.0	-44.19	271.38	6.62	-37.57
FC1=CC(F)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670950	0	25	-1.0	-36.71	236.67	4.62	-32.09
FC1=CC(F)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670950	1	25	-1.0	-36.69	236.74	4.63	-32.06
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(F)=C1	REAL250004670951	0	25	-1.0	-41.31	236.99	4.58	-36.73
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(F)=C1	REAL250004670951	1	25	-1.0	-41.21	237.04	4.58	-36.63
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004670952	0	24	-1.0	-39.93	235.73	3.14	-36.79
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004670952	1	24	-1.0	-39.91	235.79	3.15	-36.76
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004670953	0	24	-1.0	-43.13	236.05	3.11	-40.02
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004670953	1	24	-1.0	-43.11	236.10	3.10	-40.01
C1=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN=C2C=C1	REAL250004670954	0	30	-1.0	-42.58	265.19	4.85	-37.73
C1=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN=C2C=C1	REAL250004670954	1	30	-1.0	-42.54	265.25	4.86	-37.68
C1=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CN=C2C=C1	REAL250004670955	0	30	-1.0	-45.32	265.51	4.82	-40.50
C1=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CN=C2C=C1	REAL250004670955	1	30	-1.0	-45.29	265.56	4.81	-40.48
COC1=CC=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670956	0	29	-1.0	-40.25	264.18	4.16	-36.09
COC1=CC=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670956	1	29	-1.0	-40.25	264.24	4.17	-36.08
COC1=CC=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670957	0	29	-1.0	-44.22	264.53	4.13	-40.09
COC1=CC=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670957	1	29	-1.0	-44.19	264.59	4.12	-40.07
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC1CC1	REAL250004670958	0	36	-1.0	-39.14	306.83	6.30	-32.84
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC1CC1	REAL250004670958	1	36	-1.0	-39.08	306.89	6.31	-32.77
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCC1CC1	REAL250004670959	0	36	-1.0	-44.08	307.15	6.26	-37.82
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCC1CC1	REAL250004670959	1	36	-1.0	-44.03	307.20	6.25	-37.78
CSC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670960	0	29	-1.0	-38.64	264.00	5.50	-33.14
CSC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670960	1	29	-1.0	-38.57	264.06	5.51	-33.06
CSC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670961	0	29	-1.0	-43.72	264.32	5.47	-38.25
CSC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670961	1	29	-1.0	-43.69	264.37	5.46	-38.23
C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(OCC2CC2)=C1	REAL250004670962	0	36	-1.0	-40.34	311.25	6.61	-33.73
C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(OCC2CC2)=C1	REAL250004670962	1	36	-1.0	-40.32	311.31	6.62	-33.70
C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(OCC2CC2)=C1	REAL250004670963	0	36	-1.0	-45.96	311.66	6.57	-39.39
C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(OCC2CC2)=C1	REAL250004670963	1	36	-1.0	-45.98	311.71	6.57	-39.41
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004670964	0	25	-1.0	-40.51	236.55	4.60	-35.91
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004670964	1	25	-1.0	-40.50	236.61	4.61	-35.89
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004670965	0	25	-1.0	-43.91	236.86	4.57	-39.34
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004670965	1	25	-1.0	-43.95	236.92	4.56	-39.39
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004670966	0	28	-1.0	-40.30	251.03	1.19	-39.11
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004670966	1	28	-1.0	-40.28	251.09	1.20	-39.08
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004670967	0	28	-1.0	-44.04	251.35	1.16	-42.88
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004670967	1	28	-1.0	-43.99	251.39	1.15	-42.84
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670968	0	27	-1.0	-39.02	252.04	5.15	-33.87
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670968	1	27	-1.0	-38.99	252.10	5.16	-33.83
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670969	0	27	-1.0	-44.26	252.35	5.12	-39.14
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670969	1	27	-1.0	-44.24	252.41	5.11	-39.13
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004670970	0	25	-1.0	-39.02	255.74	5.46	-33.56
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004670970	1	25	-1.0	-39.02	255.80	5.47	-33.55
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004670971	0	25	-1.0	-42.62	256.06	5.42	-37.20
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004670971	1	25	-1.0	-42.61	256.11	5.42	-37.19
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670972	0	25	-1.0	-37.63	240.58	5.00	-32.63
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670972	1	25	-1.0	-37.60	240.64	5.01	-32.59
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670973	0	25	-1.0	-42.31	240.89	4.97	-37.34
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670973	1	25	-1.0	-42.31	240.95	4.96	-37.35
CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004670974	0	31	-1.0	-38.50	264.75	5.70	-32.80
CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004670974	1	31	-1.0	-38.26	264.83	5.78	-32.48
CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C	REAL250004670975	0	31	-1.0	-42.32	263.74	5.60	-36.72
CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C	REAL250004670975	1	31	-1.0	-42.30	263.79	5.59	-36.71
CC1=CC=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670976	0	31	-1.0	-38.70	267.07	5.75	-32.95
CC1=CC=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670976	1	31	-1.0	-38.71	267.13	5.77	-32.94
CC1=CC=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670977	0	31	-1.0	-42.22	267.31	5.72	-36.50
CC1=CC=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670977	1	31	-1.0	-42.17	267.36	5.71	-36.46
ClC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670978	0	25	-1.0	-36.75	240.58	5.00	-31.75
ClC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670978	1	25	-1.0	-36.77	240.65	5.01	-31.76
ClC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670979	0	25	-1.0	-43.36	240.90	4.97	-38.39
ClC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670979	1	25	-1.0	-43.35	240.95	4.96	-38.39
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004670980	0	29	-1.0	-39.46	253.30	3.78	-35.68
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004670980	1	29	-1.0	-39.46	253.36	3.79	-35.67
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004670981	0	29	-1.0	-44.36	253.62	3.74	-40.62
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004670981	1	29	-1.0	-44.38	253.67	3.75	-40.63
N#CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004670982	0	23	-1.0	-40.76	238.32	4.27	-36.49
N#CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004670982	1	23	-1.0	-40.74	238.38	4.28	-36.46
N#CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004670983	0	23	-1.0	-43.06	238.62	4.22	-38.84
N#CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004670983	1	23	-1.0	-43.05	238.67	4.22	-38.83
CC1=CC(C)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670984	0	31	-1.0	-39.17	266.66	5.80	-33.37
CC1=CC(C)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670984	1	31	-1.0	-39.15	266.72	5.82	-33.33
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(C)=C1	REAL250004670985	0	31	-1.0	-43.14	266.98	5.77	-37.37
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(C)=C1	REAL250004670985	1	31	-1.0	-43.11	267.03	5.76	-37.35
CCC(C)OC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004670986	0	38	-1.0	-40.42	318.34	6.45	-33.97
CCC(C)OC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004670986	1	38	-1.0	-40.39	318.39	6.46	-33.93
CCC(C)OC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004670987	0	38	-1.0	-45.66	318.69	6.42	-39.24
CCC(C)OC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004670987	1	38	-1.0	-45.67	318.75	6.41	-39.26
COC1=C2OC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL250004670988	0	32	-1.0	-47.15	285.70	4.46	-42.69
COC1=C2OC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL250004670988	1	32	-1.0	-47.11	285.76	4.46	-42.65
COC1=C2OC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=CC=C1	REAL250004670989	0	32	-1.0	-45.84	286.02	4.41	-41.43
COC1=C2OC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=CC=C1	REAL250004670989	1	32	-1.0	-45.78	286.06	4.40	-41.38
CC(=O)NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004670990	0	31	-1.0	-52.97	276.39	3.04	-49.93
CC(=O)NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004670990	1	31	-1.0	-52.96	276.45	3.06	-49.90
CC(=O)NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004670991	0	31	-1.0	-53.08	276.69	3.02	-50.06
CC(=O)NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004670991	1	31	-1.0	-53.05	276.74	3.01	-50.04
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C2C=C1	REAL250004670992	0	34	-1.0	-39.64	289.73	7.22	-32.42
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C2C=C1	REAL250004670992	1	34	-1.0	-39.61	289.78	7.23	-32.38
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=CC=CC=C2C=C1	REAL250004670993	0	34	-1.0	-44.03	291.77	7.24	-36.79
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=CC=CC=C2C=C1	REAL250004670993	1	34	-1.0	-44.01	291.83	7.23	-36.78
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004670994	0	25	-1.0	-38.76	257.65	4.88	-33.88
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004670994	1	25	-1.0	-38.75	257.71	4.90	-33.85
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004670995	0	25	-1.0	-40.66	257.96	4.84	-35.82
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004670995	1	25	-1.0	-40.66	258.01	4.83	-35.83
ClC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004670996	0	22	-1.0	-39.54	234.68	4.19	-35.35
ClC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004670996	1	22	-1.0	-39.51	234.74	4.20	-35.31
ClC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CS1	REAL250004670997	0	22	-1.0	-41.66	234.96	4.15	-37.51
ClC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CS1	REAL250004670997	1	22	-1.0	-41.64	235.02	4.15	-37.49
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=CC=CN=C2C=C1	REAL250004670998	0	33	-1.0	-39.09	284.83	5.34	-33.75
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=CC=CN=C2C=C1	REAL250004670998	1	33	-1.0	-39.08	284.91	5.35	-33.73
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=CC=CN=C2C=C1	REAL250004670999	0	33	-1.0	-43.37	286.87	5.36	-38.01
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=CC=CN=C2C=C1	REAL250004670999	1	33	-1.0	-43.36	286.94	5.35	-38.01
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CNC1=O	REAL250004671000	0	28	-1.0	-40.89	255.64	2.34	-38.55
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CNC1=O	REAL250004671000	1	28	-1.0	-40.92	255.71	2.35	-38.57
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CNC1=O	REAL250004671001	0	28	-1.0	-47.18	255.99	2.29	-44.89
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CNC1=O	REAL250004671001	1	28	-1.0	-47.13	256.04	2.29	-44.84
CC(C)(O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671002	0	35	-1.0	-40.28	290.92	3.29	-36.99
CC(C)(O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671002	1	35	-1.0	-40.25	290.98	3.30	-36.95
CC(C)(O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671003	0	35	-1.0	-44.65	291.23	3.26	-41.39
CC(C)(O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671003	1	35	-1.0	-44.66	291.28	3.25	-41.41
N#CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004671004	0	23	-1.0	-39.52	239.27	4.05	-35.47
N#CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004671004	1	23	-1.0	-39.45	239.34	4.05	-35.40
N#CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CS1	REAL250004671005	0	23	-1.0	-48.49	239.69	3.98	-44.51
N#CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CS1	REAL250004671005	1	23	-1.0	-48.48	239.76	3.97	-44.51
CC1=CC=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671006	0	31	-1.0	-38.70	267.07	5.75	-32.95
CC1=CC=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671006	1	31	-1.0	-38.71	267.13	5.77	-32.94
CC1=CC=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671007	0	31	-1.0	-42.22	267.31	5.72	-36.50
CC1=CC=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671007	1	31	-1.0	-42.17	267.36	5.71	-36.46
CN1C=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL250004671008	0	31	-1.0	-44.56	272.19	5.83	-38.73
CN1C=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL250004671008	1	31	-1.0	-44.51	272.25	5.84	-38.67
CN1C=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL250004671009	0	31	-1.0	-48.04	272.51	5.79	-42.25
CN1C=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL250004671009	1	31	-1.0	-47.99	272.56	5.79	-42.20
N#CC1=CC=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671010	0	26	-1.0	-39.78	253.95	4.82	-34.96
N#CC1=CC=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671010	1	26	-1.0	-39.78	254.02	4.83	-34.95
N#CC1=CC=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671011	0	26	-1.0	-47.67	254.31	4.79	-42.88
N#CC1=CC=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671011	1	26	-1.0	-47.62	254.35	4.78	-42.84
N#CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671012	0	23	-1.0	-40.76	238.32	4.27	-36.49
N#CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671012	1	23	-1.0	-40.74	238.38	4.28	-36.46
N#CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671013	0	23	-1.0	-43.06	238.62	4.22	-38.84
N#CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671013	1	23	-1.0	-43.05	238.67	4.22	-38.83
C1=CC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CNC2=N1	REAL250004671014	0	28	-1.0	-46.73	256.98	4.03	-42.70
C1=CC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CNC2=N1	REAL250004671014	1	28	-1.0	-46.71	257.05	4.03	-42.68
C1=CC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CNC2=N1	REAL250004671015	0	28	-1.0	-54.40	257.32	3.98	-50.42
C1=CC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CNC2=N1	REAL250004671015	1	28	-1.0	-54.41	257.37	3.97	-50.44
CC(C)(C)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671016	0	37	-1.0	-38.40	290.77	6.23	-32.17
CC(C)(C)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671016	1	37	-1.0	-38.42	290.84	6.24	-32.18
CC(C)(C)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671017	0	37	-1.0	-42.27	289.72	6.13	-36.14
CC(C)(C)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671017	1	37	-1.0	-42.25	289.77	6.11	-36.14
NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1CO	REAL250004671018	0	31	-1.0	-42.50	267.22	-0.05	-42.55
NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1CO	REAL250004671018	1	31	-1.0	-42.49	267.28	-0.04	-42.53
NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1CO	REAL250004671019	0	31	-1.0	-48.42	267.53	-0.08	-48.50
NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1CO	REAL250004671019	1	31	-1.0	-48.43	267.58	-0.09	-48.52
C1=C(C2CC2)NN=C1C1=CC(C2=N[N-]N=N2)=CN=C1	REAL250004671020	0	29	-1.0	-42.98	262.40	3.21	-39.77
C1=C(C2CC2)NN=C1C1=CC(C2=NN=N[N-]2)=CN=C1	REAL250004671020	1	29	-1.0	-42.93	262.46	3.22	-39.71
C1=C(C2CC2)NN=C1C1=CN=C(C2=N[N-]N=N2)C=C1	REAL250004671021	0	29	-1.0	-43.34	262.67	3.17	-40.17
C1=C(C2CC2)NN=C1C1=CN=C(C2=NN=N[N-]2)C=C1	REAL250004671021	1	29	-1.0	-43.28	262.72	3.16	-40.12
C1=CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2N=C1	REAL250004671022	0	30	-1.0	-43.41	269.53	5.35	-38.06
C1=CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2N=C1	REAL250004671022	1	30	-1.0	-43.40	269.59	5.35	-38.05
C1=CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2N=C1	REAL250004671023	0	30	-1.0	-49.37	269.91	5.31	-44.06
C1=CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2N=C1	REAL250004671023	1	30	-1.0	-49.33	269.95	5.31	-44.02
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1OCO2	REAL250004671024	0	28	-1.0	-38.58	249.90	3.14	-35.44
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1OCO2	REAL250004671024	1	28	-1.0	-38.61	249.97	3.15	-35.46
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2OCOC2=C1	REAL250004671025	0	28	-1.0	-45.38	250.22	3.11	-42.27
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2OCOC2=C1	REAL250004671025	1	28	-1.0	-45.37	250.27	3.10	-42.27
C1=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CNC2=N1	REAL250004671026	0	28	-1.0	-41.86	257.24	4.12	-37.74
C1=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CNC2=N1	REAL250004671026	1	28	-1.0	-41.89	257.30	4.13	-37.76
C1=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN=C2N1	REAL250004671026	1	28	-1.0	-43.28	250.27	3.77	-39.51
C1=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN=C2N1	REAL250004671026	1	28	-1.0	-43.28	250.33	3.78	-39.50
C1=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CNC2=N1	REAL250004671027	0	28	-1.0	-49.00	257.58	4.08	-44.92
C1=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CNC2=N1	REAL250004671027	1	28	-1.0	-49.00	257.63	4.07	-44.93
C1=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CN=C2N1	REAL250004671027	1	28	-1.0	-47.11	250.58	3.74	-43.37
C1=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CN=C2N1	REAL250004671027	1	28	-1.0	-47.08	250.63	3.73	-43.35
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)OC2=CC=CC=C12	REAL250004671028	0	28	-1.0	-42.78	256.18	5.18	-37.60
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)OC2=CC=CC=C12	REAL250004671028	1	28	-1.0	-42.77	256.24	5.18	-37.59
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)OC2=CC=CC=C12	REAL250004671029	0	28	-1.0	-43.09	256.50	5.12	-37.97
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)OC2=CC=CC=C12	REAL250004671029	1	28	-1.0	-43.09	256.55	5.12	-37.97
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)SC2=CC=CC=C12	REAL250004671030	0	28	-1.0	-41.44	263.85	6.12	-35.32
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)SC2=CC=CC=C12	REAL250004671030	1	28	-1.0	-41.38	263.91	6.12	-35.26
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)SC2=CC=CC=C12	REAL250004671031	0	28	-1.0	-42.87	264.16	6.07	-36.80
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)SC2=CC=CC=C12	REAL250004671031	1	28	-1.0	-42.87	264.21	6.06	-36.81
COC1=NC=C(Cl)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671032	0	28	-1.0	-37.16	272.14	2.02	-35.14
COC1=NC=C(Cl)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671032	1	28	-1.0	-37.13	272.20	2.03	-35.10
COC1=NC=C(Cl)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671033	0	28	-1.0	-42.71	272.50	1.99	-40.72
COC1=NC=C(Cl)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671033	1	28	-1.0	-42.68	272.59	1.98	-40.70
C1=CC2=C(OCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671034	0	30	-1.0	-40.93	265.96	4.58	-36.35
C1=CC2=C(OCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671034	1	30	-1.0	-40.90	266.02	4.59	-36.31
C1=CC2=C(OCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671035	0	30	-1.0	-46.42	266.25	4.54	-41.88
C1=CC2=C(OCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671035	1	30	-1.0	-46.43	266.30	4.53	-41.90
C1=CC2=CN=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C=C1	REAL250004671036	0	30	-1.0	-40.99	266.25	4.91	-36.08
C1=CC2=CN=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C=C1	REAL250004671036	1	30	-1.0	-40.99	266.33	4.92	-36.07
C1=CC2=CN=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C=C1	REAL250004671037	0	30	-1.0	-44.51	266.61	4.87	-39.64
C1=CC2=CN=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C=C1	REAL250004671037	1	30	-1.0	-44.51	266.65	4.87	-39.64
C1=NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2O1	REAL250004671038	0	27	-1.0	-40.65	245.53	1.39	-39.26
C1=NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2O1	REAL250004671038	1	27	-1.0	-40.66	245.59	1.40	-39.26
C1=NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2O1	REAL250004671039	0	27	-1.0	-48.33	245.84	1.36	-46.97
C1=NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2O1	REAL250004671039	1	27	-1.0	-48.36	245.89	1.35	-47.01
C1=CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL250004671040	0	28	-1.0	-40.55	257.94	5.06	-35.49
C1=CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL250004671040	1	28	-1.0	-40.51	257.99	5.07	-35.44
C1=CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2O1	REAL250004671041	0	28	-1.0	-46.46	258.25	5.03	-41.43
C1=CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2O1	REAL250004671041	1	28	-1.0	-46.44	258.30	5.03	-41.41
O=C1CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL250004671042	0	30	-1.0	-41.57	265.88	2.94	-38.63
O=C1CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL250004671042	1	30	-1.0	-41.55	265.94	2.95	-38.60
O=C1CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1	REAL250004671043	0	30	-1.0	-47.11	266.19	2.92	-44.19
O=C1CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1	REAL250004671043	1	30	-1.0	-47.05	266.24	2.90	-44.15
C1=CC2=C(OCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671044	0	30	-1.0	-40.93	265.96	4.58	-36.35
C1=CC2=C(OCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671044	1	30	-1.0	-40.90	266.02	4.59	-36.31
C1=CC2=C(OCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671045	0	30	-1.0	-46.42	266.25	4.54	-41.88
C1=CC2=C(OCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671045	1	30	-1.0	-46.43	266.30	4.53	-41.90
CN1C=C2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC2=N1	REAL250004671046	0	31	-1.0	-47.44	272.79	4.49	-42.95
CN1C=C2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC2=N1	REAL250004671046	1	31	-1.0	-47.40	272.85	4.50	-42.90
CN1C=C2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC2=N1	REAL250004671047	0	31	-1.0	-49.93	273.10	4.46	-45.47
CN1C=C2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC2=N1	REAL250004671047	1	31	-1.0	-49.87	273.15	4.45	-45.42
CN1N=C(C(F)(F)F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671048	0	28	-1.0	-35.44	266.22	3.03	-32.41
CN1N=C(C(F)(F)F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671048	1	28	-1.0	-35.40	266.28	3.03	-32.37
CN1N=C(C(F)(F)F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671049	0	28	-1.0	-41.74	266.37	2.97	-38.77
CN1N=C(C(F)(F)F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671049	1	28	-1.0	-41.72	266.42	2.96	-38.76
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=NON=C12	REAL250004671050	0	26	-1.0	-36.16	238.87	3.29	-32.87
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=NON=C12	REAL250004671050	1	26	-1.0	-36.17	238.93	3.30	-32.87
C1=CC(C2=CN=C(C3=N[N-]N=N3)C=C2)=CC2=NON=C12	REAL250004671051	0	26	-1.0	-44.61	239.18	3.26	-41.35
C1=CC(C2=CN=C(C3=NN=N[N-]3)C=C2)=CC2=NON=C12	REAL250004671051	1	26	-1.0	-44.61	239.24	3.25	-41.36
C1=CN2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC2=N1	REAL250004671052	0	28	-1.0	-40.19	257.67	5.31	-34.88
C1=CN2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC2=N1	REAL250004671052	1	28	-1.0	-40.20	257.73	5.32	-34.88
C1=CN2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC2=N1	REAL250004671053	0	28	-1.0	-44.61	258.00	5.28	-39.33
C1=CN2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC2=N1	REAL250004671053	1	28	-1.0	-44.60	258.05	5.27	-39.33
CC1=NN(C)C(C)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671054	0	31	-1.0	-41.32	271.33	3.44	-37.88
CC1=NN(C)C(C)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671054	1	31	-1.0	-41.31	271.39	3.45	-37.86
CC1=NN(C)C(C)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671055	0	31	-1.0	-44.33	271.59	3.41	-40.92
CC1=NN(C)C(C)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671055	1	31	-1.0	-44.32	271.66	3.40	-40.92
CCCN1N=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671056	0	31	-1.0	-37.38	265.50	3.58	-33.80
CCCN1N=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671056	1	31	-1.0	-37.33	265.57	3.58	-33.75
CCCN1N=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671057	0	31	-1.0	-41.39	265.81	3.53	-37.86
CCCN1N=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671057	1	31	-1.0	-41.31	265.87	3.52	-37.79
N#CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004671058	0	26	-1.0	-41.32	260.02	5.29	-36.03
N#CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004671058	1	26	-1.0	-41.32	260.08	5.30	-36.02
N#CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004671059	0	26	-1.0	-45.31	260.34	5.25	-40.06
N#CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004671059	1	26	-1.0	-45.27	260.39	5.25	-40.02
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C#N)=C1	REAL250004671060	0	29	-1.0	-40.22	268.88	5.42	-34.80
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C#N)=C1	REAL250004671060	1	29	-1.0	-40.20	268.95	5.43	-34.77
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C#N)=C1	REAL250004671061	0	29	-1.0	-49.34	269.26	5.39	-43.95
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C#N)=C1	REAL250004671061	1	29	-1.0	-49.33	269.30	5.38	-43.95
CN1C(=O)NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL250004671062	0	32	-1.0	-41.98	281.84	3.35	-38.63
CN1C(=O)NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL250004671062	1	32	-1.0	-41.98	281.90	3.36	-38.62
CN1C(=O)NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL250004671063	0	32	-1.0	-48.74	282.16	3.31	-45.43
CN1C(=O)NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL250004671063	1	32	-1.0	-48.71	282.21	3.30	-45.41
C1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2N=C1	REAL250004671064	0	29	-1.0	-41.31	259.85	2.91	-38.40
C1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2N=C1	REAL250004671064	1	29	-1.0	-41.27	259.91	2.92	-38.35
C1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2N=C1	REAL250004671065	0	29	-1.0	-47.65	260.17	2.87	-44.78
C1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2N=C1	REAL250004671065	1	29	-1.0	-47.62	260.22	2.87	-44.75
CCOC(=O)C1=NNC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671066	0	31	-1.0	-38.03	285.61	2.66	-35.37
CCOC(=O)C1=NNC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671066	1	31	-1.0	-37.99	285.68	2.66	-35.33
CCOC(=O)C1=NNC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671067	0	31	-1.0	-44.95	285.93	2.62	-42.33
CCOC(=O)C1=NNC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671067	1	31	-1.0	-44.91	285.98	2.61	-42.30
ClC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL250004671068	0	25	-1.0	-41.71	257.82	5.51	-36.20
ClC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL250004671068	1	25	-1.0	-41.64	257.90	5.52	-36.12
ClC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1Cl	REAL250004671069	0	25	-1.0	-44.33	258.14	5.42	-38.91
ClC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1Cl	REAL250004671069	1	25	-1.0	-44.30	258.19	5.42	-38.88
N#CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1O	REAL250004671072	0	27	-1.0	-39.92	255.01	2.07	-37.85
N#CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1O	REAL250004671072	1	27	-1.0	-39.90	255.08	2.08	-37.82
N#CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1O	REAL250004671073	0	27	-1.0	-48.32	255.33	2.03	-46.29
N#CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1O	REAL250004671073	1	27	-1.0	-48.21	255.38	2.02	-46.19
N#CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671074	0	26	-1.0	-38.20	250.56	4.92	-33.28
N#CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671074	1	26	-1.0	-38.22	250.63	4.93	-33.29
N#CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671075	0	26	-1.0	-47.10	250.88	4.88	-42.22
N#CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671075	1	26	-1.0	-47.03	250.93	4.87	-42.16
C=CCCOC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671076	0	36	-1.0	-40.10	313.93	6.39	-33.71
C=CCCOC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671076	1	36	-1.0	-40.08	313.99	6.40	-33.68
C=CCCOC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671077	0	36	-1.0	-45.32	314.30	6.36	-38.96
C=CCCOC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671077	1	36	-1.0	-45.26	314.36	6.35	-38.91
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C#N)=C1	REAL250004671078	0	30	-1.0	-39.85	276.93	4.05	-35.80
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C#N)=C1	REAL250004671078	1	30	-1.0	-39.83	277.00	4.06	-35.77
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C#N)=C1	REAL250004671079	0	30	-1.0	-49.58	277.28	4.02	-45.56
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C#N)=C1	REAL250004671079	1	30	-1.0	-49.55	277.32	4.01	-45.54
CCCN1N=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004671080	0	37	-1.0	-40.66	317.46	5.22	-35.44
CCCN1N=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004671080	1	37	-1.0	-40.60	317.52	5.22	-35.38
CCCN1N=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C	REAL250004671081	0	37	-1.0	-43.76	314.96	5.03	-38.73
CCCN1N=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C	REAL250004671081	1	37	-1.0	-43.73	315.04	5.03	-38.70
CC(C)COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671082	0	37	-1.0	-40.01	314.49	3.61	-36.40
CC(C)COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671082	1	37	-1.0	-39.97	314.55	3.62	-36.35
CC(C)COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671083	0	37	-1.0	-43.62	314.80	3.58	-40.04
CC(C)COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671083	1	37	-1.0	-43.62	314.85	3.58	-40.04
CNC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671084	0	30	-1.0	-39.62	258.84	3.28	-36.34
CNC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671084	1	30	-1.0	-39.61	258.90	3.29	-36.32
CNC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671085	0	30	-1.0	-43.85	259.16	3.24	-40.61
CNC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671085	1	30	-1.0	-43.89	259.21	3.24	-40.65
CSC1=CC(C)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671086	0	31	-1.0	-38.47	284.39	4.48	-33.99
CSC1=CC(C)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671086	1	31	-1.0	-38.41	284.44	4.49	-33.92
CSC1=CC(C)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671087	0	31	-1.0	-41.86	284.76	4.44	-37.42
CSC1=CC(C)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671087	1	31	-1.0	-41.79	284.82	4.44	-37.35
CSC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1N	REAL250004671090	0	31	-1.0	-39.40	276.52	3.46	-35.94
CSC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1N	REAL250004671090	1	31	-1.0	-39.38	276.58	3.47	-35.91
CSC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1N	REAL250004671091	0	31	-1.0	-44.65	276.83	3.42	-41.23
CSC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1N	REAL250004671091	1	31	-1.0	-44.63	276.88	3.42	-41.21
CN(C)CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671094	1	36	-1.0	-37.86	299.94	3.77	-34.09
CN(C)CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671094	1	36	-1.0	-37.81	300.00	3.78	-34.03
CN(C)CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671095	1	36	-1.0	-43.02	307.47	3.95	-39.07
CN(C)CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671095	1	36	-1.0	-43.04	307.52	3.94	-39.10
C=CCCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671096	0	35	-1.0	-38.97	301.05	7.26	-31.71
C=CCCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671096	1	35	-1.0	-38.94	301.11	7.28	-31.66
C=CCCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671097	0	35	-1.0	-43.25	301.36	7.23	-36.02
C=CCCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671097	1	35	-1.0	-43.27	301.42	7.22	-36.05
OCC1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671098	0	29	-1.0	-37.35	261.08	1.99	-35.36
OCC1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671098	1	29	-1.0	-37.27	261.13	2.01	-35.26
OCC1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671099	0	29	-1.0	-42.66	260.45	2.00	-40.66
OCC1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671099	1	29	-1.0	-42.60	260.51	2.00	-40.60
O=CC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671100	0	27	-1.0	-37.83	247.69	4.13	-33.70
O=CC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671100	1	27	-1.0	-37.80	247.76	4.14	-33.66
O=CC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671101	0	27	-1.0	-51.39	247.24	4.23	-47.16
O=CC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671101	1	27	-1.0	-51.43	247.30	4.23	-47.20
O=CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671102	0	27	-1.0	-40.33	246.94	4.20	-36.13
O=CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671102	1	27	-1.0	-40.32	247.00	4.22	-36.10
O=CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671103	0	27	-1.0	-46.60	247.17	4.17	-42.43
O=CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671103	1	27	-1.0	-46.61	247.31	4.16	-42.45
O=CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671104	0	27	-1.0	-42.59	247.10	4.20	-38.39
O=CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671104	1	27	-1.0	-42.57	247.16	4.21	-38.36
O=CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671105	0	27	-1.0	-50.63	247.42	4.16	-46.47
O=CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671105	1	27	-1.0	-50.63	247.47	4.16	-46.47
OCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671106	0	29	-1.0	-41.27	256.66	1.81	-39.46
OCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671106	1	29	-1.0	-41.23	256.72	1.82	-39.41
OCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671107	0	29	-1.0	-45.35	256.98	1.78	-43.57
OCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671107	1	29	-1.0	-45.36	257.03	1.77	-43.59
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=NN1	REAL250004671108	0	25	-1.0	-39.72	249.60	2.04	-37.68
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=NN1	REAL250004671108	1	25	-1.0	-39.66	249.66	2.05	-37.61
FC(F)(F)C1=NNC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671108	1	25	-1.0	-36.14	248.44	2.02	-34.12
FC(F)(F)C1=NNC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671108	1	25	-1.0	-36.14	248.50	2.02	-34.12
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=NN1	REAL250004671109	0	25	-1.0	-41.07	249.91	2.00	-39.07
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=NN1	REAL250004671109	1	25	-1.0	-41.06	249.96	1.99	-39.07
FC(F)(F)C1=NNC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671109	1	25	-1.0	-41.51	248.75	1.96	-39.55
FC(F)(F)C1=NNC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671109	1	25	-1.0	-41.46	248.80	1.96	-39.50
CC(C)(C)C1CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004671110	0	41	-1.0	-37.47	316.44	7.05	-30.42
CC(C)(C)C1CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004671110	1	41	-1.0	-37.42	316.50	7.05	-30.37
CC(C)(C)C1CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)CC1	REAL250004671111	0	41	-1.0	-41.58	316.54	6.99	-34.59
CC(C)(C)C1CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)CC1	REAL250004671111	1	41	-1.0	-41.59	316.59	6.97	-34.62
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC(C2CCC2)=C1	REAL250004671112	0	35	-1.0	-38.45	289.59	7.06	-31.39
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC(C2CCC2)=C1	REAL250004671112	1	35	-1.0	-38.38	289.65	7.07	-31.31
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(C2CCC2)=C1	REAL250004671113	0	35	-1.0	-43.17	289.89	7.02	-36.15
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(C2CCC2)=C1	REAL250004671113	1	35	-1.0	-43.14	289.94	7.01	-36.13
O=[N+]([O-])C1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671114	0	31	-1.0	-41.53	282.86	2.60	-38.93
O=[N+]([O-])C1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671114	1	31	-1.0	-41.51	282.92	2.61	-38.90
O=[N+]([O-])C1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671115	0	31	-1.0	-42.83	283.24	2.56	-40.27
O=[N+]([O-])C1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671115	1	31	-1.0	-42.82	283.31	2.56	-40.26
OCC1=CC=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671116	0	29	-1.0	-38.37	261.06	2.00	-36.37
OCC1=CC=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671116	1	29	-1.0	-38.36	261.11	2.01	-36.35
OCC1=CC=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671117	0	29	-1.0	-41.31	261.45	1.96	-39.35
OCC1=CC=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671117	1	29	-1.0	-41.25	261.50	1.95	-39.30
NC1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671118	0	31	-1.0	-39.29	268.69	-0.16	-39.45
NC1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671118	1	31	-1.0	-39.24	268.75	-0.14	-39.38
NC1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671119	0	31	-1.0	-44.13	269.07	-0.19	-44.32
NC1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671119	1	31	-1.0	-44.03	269.11	-0.19	-44.22
N#CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CO)=C1	REAL250004671120	0	30	-1.0	-38.55	275.44	2.31	-36.24
N#CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CO)=C1	REAL250004671120	1	30	-1.0	-38.58	275.50	2.32	-36.26
N#CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CO)=C1	REAL250004671121	0	30	-1.0	-44.91	274.81	2.33	-42.58
N#CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CO)=C1	REAL250004671121	1	30	-1.0	-44.91	274.85	2.32	-42.59
C1=CC2=C(OCCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671122	0	33	-1.0	-40.94	281.72	5.45	-35.49
C1=CC2=C(OCCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671122	1	33	-1.0	-40.88	281.77	5.46	-35.42
C1=CC2=C(OCCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671123	0	33	-1.0	-45.69	282.07	5.41	-40.28
C1=CC2=C(OCCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671123	1	33	-1.0	-45.66	282.12	5.40	-40.26
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1OCO2	REAL250004671124	0	28	-1.0	-38.58	249.90	3.14	-35.44
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1OCO2	REAL250004671124	1	28	-1.0	-38.61	249.97	3.15	-35.46
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2OCOC2=C1	REAL250004671125	0	28	-1.0	-45.38	250.22	3.11	-42.27
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2OCOC2=C1	REAL250004671125	1	28	-1.0	-45.37	250.27	3.10	-42.27
COC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671126	0	27	-1.0	-39.54	245.97	-0.83	-40.37
COC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671126	1	27	-1.0	-39.54	246.03	-0.82	-40.36
COC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671127	0	27	-1.0	-45.33	246.28	-0.87	-46.20
COC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671127	1	27	-1.0	-45.29	246.33	-0.87	-46.16
CC1=NN(C(C)C)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671128	0	34	-1.0	-39.18	291.44	4.34	-34.84
CC1=NN(C(C)C)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671128	1	34	-1.0	-39.18	291.51	4.34	-34.84
CC1=NN(C(C)C)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671129	0	34	-1.0	-44.72	291.72	4.29	-40.43
CC1=NN(C(C)C)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671129	1	34	-1.0	-44.70	291.78	4.29	-40.41
FC(F)(F)C1=CSC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671130	0	25	-1.0	-38.01	252.23	4.37	-33.64
FC(F)(F)C1=CSC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671130	1	25	-1.0	-38.02	252.29	4.39	-33.63
FC(F)(F)C1=CSC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671131	0	25	-1.0	-44.89	252.39	4.33	-40.56
FC(F)(F)C1=CSC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671131	1	25	-1.0	-44.92	252.44	4.32	-40.60
CC(C)(O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004671132	0	35	-1.0	-39.08	302.13	3.50	-35.58
CC(C)(O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004671132	1	35	-1.0	-39.06	302.19	3.51	-35.55
CC(C)(O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004671133	0	35	-1.0	-44.27	302.54	3.49	-40.78
CC(C)(O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004671133	1	35	-1.0	-44.25	302.58	3.48	-40.77
CN1C=NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL250004671134	0	31	-1.0	-43.43	272.18	5.82	-37.61
CN1C=NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL250004671134	1	31	-1.0	-43.34	272.24	5.83	-37.51
CN1C=NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C21	REAL250004671135	0	31	-1.0	-51.01	272.49	5.78	-45.23
CN1C=NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C21	REAL250004671135	1	31	-1.0	-51.00	272.54	5.78	-45.22
CC1=CC=C(C#N)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671136	0	29	-1.0	-47.53	268.96	5.48	-42.05
CC1=CC=C(C#N)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671136	1	29	-1.0	-47.52	269.03	5.49	-42.03
CC1=CC=C(C#N)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671137	0	29	-1.0	-46.91	269.30	5.43	-41.48
CC1=CC=C(C#N)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671137	1	29	-1.0	-46.90	269.35	5.43	-41.47
O=C1C=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2N1	REAL250004671138	0	31	-1.0	-42.47	275.23	3.53	-38.94
O=C1C=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2N1	REAL250004671138	1	31	-1.0	-42.47	275.29	3.54	-38.93
O=C1C=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2N1	REAL250004671139	0	31	-1.0	-50.35	275.54	3.49	-46.86
O=C1C=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2N1	REAL250004671139	1	31	-1.0	-50.27	275.59	3.49	-46.78
C1=C2OCCOC2=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671140	0	28	-1.0	-39.56	258.85	2.45	-37.11
C1=C2OCCOC2=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671140	1	28	-1.0	-39.60	258.91	2.46	-37.14
C1=C2OCCOC2=C(C2=CN=C(C3=N[N-]N=N3)C=C2)S1	REAL250004671141	0	28	-1.0	-44.97	259.30	2.42	-42.55
C1=C2OCCOC2=C(C2=CN=C(C3=NN=N[N-]3)C=C2)S1	REAL250004671141	1	28	-1.0	-44.97	259.35	2.42	-42.55
C1=NN2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=NC2=C1	REAL250004671142	0	27	-1.0	-39.73	253.36	3.66	-36.07
C1=NN2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=NC2=C1	REAL250004671142	1	27	-1.0	-39.69	253.43	3.67	-36.02
C1=NN2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=NC2=C1	REAL250004671143	0	27	-1.0	-44.79	253.68	3.62	-41.17
C1=NN2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=NC2=C1	REAL250004671143	1	27	-1.0	-44.73	253.74	3.61	-41.12
FC(F)C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671144	0	27	-1.0	-40.23	253.09	3.62	-36.61
FC(F)C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671144	1	27	-1.0	-40.20	253.16	3.63	-36.57
FC(F)C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671145	0	27	-1.0	-44.20	251.53	3.50	-40.70
FC(F)C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671145	1	27	-1.0	-44.18	251.58	3.49	-40.69
C1=NC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL250004671146	0	27	-1.0	-40.88	252.36	1.64	-39.24
C1=NC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL250004671146	1	27	-1.0	-40.88	252.42	1.65	-39.23
C1=NC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2O1	REAL250004671147	0	27	-1.0	-47.38	252.67	1.60	-45.78
C1=NC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2O1	REAL250004671147	1	27	-1.0	-47.33	252.73	1.60	-45.73
C1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL250004671148	0	31	-1.0	-39.99	269.91	6.75	-33.24
C1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL250004671148	1	31	-1.0	-39.97	269.97	6.76	-33.21
C1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C=C1	REAL250004671149	0	31	-1.0	-44.53	270.23	6.72	-37.81
C1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C=C1	REAL250004671149	1	31	-1.0	-44.51	270.28	6.71	-37.80
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=C1	REAL250004671150	0	32	-1.0	-38.67	275.01	4.36	-34.31
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=C1	REAL250004671150	1	32	-1.0	-38.66	275.08	4.38	-34.28
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=C1	REAL250004671151	0	32	-1.0	-43.03	275.41	4.34	-38.69
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=C1	REAL250004671151	1	32	-1.0	-42.96	275.45	4.32	-38.64
CCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671152	0	32	-1.0	-38.64	275.19	4.71	-33.93
CCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671152	1	32	-1.0	-38.64	275.25	4.72	-33.92
CCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671153	0	32	-1.0	-44.93	275.50	4.67	-40.26
CCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671153	1	32	-1.0	-44.88	275.56	4.66	-40.22
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671154	0	27	-1.0	-39.02	252.04	5.15	-33.87
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671154	1	27	-1.0	-38.99	252.10	5.16	-33.83
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671155	0	27	-1.0	-44.26	252.35	5.12	-39.14
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671155	1	27	-1.0	-44.24	252.41	5.11	-39.13
C1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)CCCO2	REAL250004671156	0	33	-1.0	-40.51	277.56	5.10	-35.41
C1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)CCCO2	REAL250004671156	1	33	-1.0	-40.50	277.62	5.11	-35.39
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2OCCCC2=C1	REAL250004671157	0	33	-1.0	-44.42	277.87	5.07	-39.35
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2OCCCC2=C1	REAL250004671157	1	33	-1.0	-44.42	277.92	5.06	-39.36
ClC1=CN=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671158	0	24	-1.0	-36.00	237.85	3.24	-32.76
ClC1=CN=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671158	1	24	-1.0	-35.98	237.92	3.26	-32.72
ClC1=CN=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671159	0	24	-1.0	-41.47	238.24	3.26	-38.21
ClC1=CN=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671159	1	24	-1.0	-41.42	238.29	3.26	-38.16
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004671160	0	31	-1.0	-39.35	262.23	5.69	-33.66
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004671160	1	31	-1.0	-39.31	262.29	5.70	-33.61
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004671161	0	31	-1.0	-43.51	263.23	5.67	-37.84
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004671161	1	31	-1.0	-43.47	263.28	5.66	-37.81
CC(C)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671162	0	35	-1.0	-39.19	293.06	5.34	-33.85
CC(C)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671162	1	35	-1.0	-39.18	293.12	5.35	-33.83
CC(C)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671163	0	35	-1.0	-44.01	293.38	5.30	-38.71
CC(C)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671163	1	35	-1.0	-43.97	293.42	5.30	-38.67
COC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671164	0	29	-1.0	-40.20	257.78	4.10	-36.10
COC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671164	1	29	-1.0	-40.20	257.82	4.11	-36.09
COC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671165	0	29	-1.0	-45.38	258.13	4.06	-41.32
COC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671165	1	29	-1.0	-45.38	258.20	4.05	-41.33
N#CC1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671166	0	26	-1.0	-38.15	253.92	4.82	-33.33
N#CC1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671166	1	26	-1.0	-38.14	253.98	4.83	-33.31
N#CC1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671167	0	26	-1.0	-48.05	254.26	4.79	-43.26
N#CC1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671167	1	26	-1.0	-48.04	254.31	4.78	-43.26
CC1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL250004671168	0	33	-1.0	-42.89	286.52	5.47	-37.42
CC1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL250004671168	1	33	-1.0	-42.91	286.58	5.48	-37.43
CC1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C=C1	REAL250004671169	0	33	-1.0	-46.08	286.84	5.44	-40.64
CC1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C=C1	REAL250004671169	1	33	-1.0	-46.10	286.89	5.43	-40.67
CC1=CN=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671170	0	27	-1.0	-38.67	246.41	3.23	-35.44
CC1=CN=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671170	1	27	-1.0	-38.63	246.46	3.24	-35.39
CC1=CN=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671171	0	27	-1.0	-41.77	247.77	3.23	-38.54
CC1=CN=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671171	1	27	-1.0	-41.74	247.83	3.23	-38.51
N#CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671172	0	23	-1.0	-38.38	236.17	4.06	-34.32
N#CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671172	1	23	-1.0	-38.32	236.23	4.07	-34.25
N#CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671173	0	23	-1.0	-45.93	236.48	4.02	-41.91
N#CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671173	1	23	-1.0	-45.95	236.53	4.01	-41.94
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC2=CC=CC=C21	REAL250004671174	0	31	-1.0	-39.47	280.29	6.92	-32.55
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC2=CC=CC=C21	REAL250004671174	1	31	-1.0	-39.45	280.36	6.93	-32.52
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC2=CC=CC=C21	REAL250004671175	0	31	-1.0	-46.18	280.65	6.89	-39.29
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC2=CC=CC=C21	REAL250004671175	1	31	-1.0	-46.17	280.68	6.88	-39.29
O=C1C=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(F)N1	REAL250004671176	0	25	-1.0	-38.71	241.50	1.60	-37.11
O=C1C=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(F)N1	REAL250004671176	1	25	-1.0	-38.65	241.56	1.61	-37.04
O=C1C=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(F)N1	REAL250004671177	0	25	-1.0	-44.95	241.85	1.55	-43.40
O=C1C=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(F)N1	REAL250004671177	1	25	-1.0	-44.91	241.91	1.54	-43.37
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671178	0	26	-1.0	-43.30	247.98	4.38	-38.92
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671178	1	26	-1.0	-43.28	248.04	4.39	-38.89
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671179	0	26	-1.0	-46.14	248.30	4.35	-41.79
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671179	1	26	-1.0	-46.14	248.35	4.34	-41.80
COC(=O)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1O	REAL250004671180	0	32	-1.0	-40.33	287.41	3.18	-37.15
COC(=O)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1O	REAL250004671180	1	32	-1.0	-40.32	287.48	3.20	-37.12
COC(=O)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1O	REAL250004671181	0	32	-1.0	-47.48	287.73	3.15	-44.33
COC(=O)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1O	REAL250004671181	1	32	-1.0	-47.46	287.78	3.13	-44.33
C1=CC2=C(OCO2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671182	0	28	-1.0	-39.98	256.38	3.38	-36.60
C1=CC2=C(OCO2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671182	1	28	-1.0	-39.93	256.43	3.39	-36.54
C1=CC2=C(OCO2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671183	0	28	-1.0	-46.33	256.70	3.36	-42.97
C1=CC2=C(OCO2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671183	1	28	-1.0	-46.26	256.75	3.34	-42.92
FC(F)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671184	0	28	-1.0	-44.76	262.12	1.90	-42.86
FC(F)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671184	1	28	-1.0	-44.68	262.18	1.92	-42.76
FC(F)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671185	0	28	-1.0	-46.98	262.44	1.86	-45.12
FC(F)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671185	1	28	-1.0	-47.01	262.49	1.85	-45.16
C1=CN(C2=CN=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)N=C1	REAL250004671186	0	31	-1.0	-40.88	277.46	3.90	-36.98
C1=CN(C2=CN=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)N=C1	REAL250004671186	1	31	-1.0	-40.82	277.52	3.91	-36.91
C1=CN(C2=CN=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)N=C1	REAL250004671187	0	31	-1.0	-47.91	277.77	3.86	-44.05
C1=CN(C2=CN=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)N=C1	REAL250004671187	1	31	-1.0	-47.88	277.82	3.85	-44.03
C1=NOC=C1C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671188	0	31	-1.0	-43.06	277.11	5.50	-37.56
C1=NOC=C1C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671188	1	31	-1.0	-43.09	277.04	5.49	-37.60
C1=NOC=C1C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671189	0	31	-1.0	-46.73	277.41	5.45	-41.28
C1=NOC=C1C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671189	1	31	-1.0	-46.78	277.36	5.46	-41.32
O=C1CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN=C2N1	REAL250004671190	0	29	-1.0	-43.11	260.87	2.15	-40.96
O=C1CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN=C2N1	REAL250004671190	1	29	-1.0	-43.08	260.94	2.16	-40.92
O=C1CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CN=C2N1	REAL250004671191	0	29	-1.0	-46.68	261.19	2.11	-44.57
O=C1CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CN=C2N1	REAL250004671191	1	29	-1.0	-46.65	261.24	2.10	-44.55
CCCOC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671192	0	34	-1.0	-38.62	291.78	3.71	-34.91
CCCOC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671192	1	34	-1.0	-38.59	291.85	3.72	-34.87
CCCOC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671193	0	34	-1.0	-43.43	292.10	3.67	-39.76
CCCOC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671193	1	34	-1.0	-43.34	292.15	3.66	-39.68
FC(F)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671194	0	28	-1.0	-42.36	254.74	5.19	-37.17
FC(F)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671194	1	28	-1.0	-42.37	254.83	5.20	-37.17
FC(F)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671195	0	28	-1.0	-45.44	254.57	5.10	-40.34
FC(F)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671195	1	28	-1.0	-45.40	254.63	5.11	-40.29
O=[N+]([O-])C1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671196	0	27	-1.0	-39.89	258.56	5.07	-34.82
O=[N+]([O-])C1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671196	1	27	-1.0	-39.86	258.62	5.09	-34.77
O=[N+]([O-])C1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671197	0	27	-1.0	-48.67	262.23	5.24	-43.43
O=[N+]([O-])C1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671197	1	27	-1.0	-48.65	262.29	5.24	-43.41
C1=NN2C=CC=NC2=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671198	0	27	-1.0	-46.49	253.65	3.72	-42.77
C1=NN2C=CC=NC2=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671198	1	27	-1.0	-46.44	253.71	3.72	-42.72
C1=NN2C=CC=NC2=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671199	0	27	-1.0	-51.63	253.97	3.67	-47.96
C1=NN2C=CC=NC2=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671199	1	27	-1.0	-51.63	254.02	3.66	-47.97
C1=NN2N=CC=CC2=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671200	0	27	-1.0	-46.54	254.28	2.89	-43.65
C1=NN2N=CC=CC2=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671200	1	27	-1.0	-46.57	254.35	2.89	-43.68
C1=NN2N=CC=CC2=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671201	0	27	-1.0	-49.46	254.60	2.84	-46.62
C1=NN2N=CC=CC2=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671201	1	27	-1.0	-49.41	254.65	2.83	-46.58
CCOC(=O)C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671202	0	33	-1.0	-38.43	295.67	4.29	-34.14
CCOC(=O)C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671202	1	33	-1.0	-38.41	295.74	4.30	-34.11
CCOC(=O)C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671203	0	33	-1.0	-45.70	295.99	4.25	-41.45
CCOC(=O)C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671203	1	33	-1.0	-45.73	296.04	4.25	-41.48
COC(=O)C1=CC(O)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671204	0	32	-1.0	-40.35	289.63	2.28	-38.07
COC(=O)C1=CC(O)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671204	1	32	-1.0	-40.36	289.69	2.29	-38.07
COC(=O)C1=CC(O)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671205	0	32	-1.0	-47.65	289.94	2.25	-45.40
COC(=O)C1=CC(O)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671205	1	32	-1.0	-47.60	289.99	2.24	-45.36
COC1=C2OC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL250004671206	0	32	-1.0	-47.15	285.70	4.46	-42.69
COC1=C2OC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL250004671206	1	32	-1.0	-47.11	285.76	4.46	-42.65
COC1=C2OC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=CC=C1	REAL250004671207	0	32	-1.0	-45.84	286.02	4.41	-41.43
COC1=C2OC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=CC=C1	REAL250004671207	1	32	-1.0	-45.78	286.06	4.40	-41.38
C1=CC2=C(CCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671208	0	32	-1.0	-38.74	273.33	6.47	-32.27
C1=CC2=C(CCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671208	1	32	-1.0	-38.70	273.39	6.48	-32.22
C1=CC2=C(CCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671209	0	32	-1.0	-42.70	273.76	6.45	-36.25
C1=CC2=C(CCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671209	1	32	-1.0	-42.67	273.80	6.44	-36.23
CNC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004671210	0	35	-1.0	-40.67	296.25	3.44	-37.23
CNC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004671210	1	35	-1.0	-40.66	296.31	3.45	-37.21
CNC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004671211	0	35	-1.0	-47.96	296.56	3.41	-44.55
CNC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004671211	1	35	-1.0	-47.97	296.61	3.40	-44.57
OCC1(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL250004671212	0	36	-1.0	-42.08	308.48	3.88	-38.20
OCC1(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CC1	REAL250004671212	1	36	-1.0	-42.05	308.53	3.89	-38.16
OCC1(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CC1	REAL250004671213	0	36	-1.0	-44.90	309.79	3.82	-41.08
OCC1(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CC1	REAL250004671213	1	36	-1.0	-44.93	309.84	3.81	-41.12
COC(=O)CC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671214	0	34	-1.0	-45.31	301.55	5.85	-39.46
COC(=O)CC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671214	1	34	-1.0	-45.28	301.62	5.86	-39.42
COC(=O)CC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671215	0	34	-1.0	-47.33	301.53	5.87	-41.46
COC(=O)CC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671215	1	34	-1.0	-47.31	301.57	5.86	-41.45
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671216	0	26	-1.0	-43.30	247.98	4.38	-38.92
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671216	1	26	-1.0	-43.28	248.04	4.39	-38.89
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671217	0	26	-1.0	-46.14	248.30	4.35	-41.79
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671217	1	26	-1.0	-46.14	248.35	4.34	-41.80
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL250004671218	0	30	-1.0	-37.70	267.99	5.66	-32.04
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL250004671218	1	30	-1.0	-37.70	268.05	5.67	-32.03
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1[N+](=O)[O-]	REAL250004671219	0	30	-1.0	-48.12	268.31	5.63	-42.49
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1[N+](=O)[O-]	REAL250004671219	1	30	-1.0	-48.12	268.36	5.62	-42.50
N#CC1=C(F)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671220	0	26	-1.0	-40.85	253.43	4.78	-36.07
N#CC1=C(F)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671220	1	26	-1.0	-40.83	253.49	4.80	-36.03
N#CC1=C(F)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671221	0	26	-1.0	-51.76	253.79	4.75	-47.01
N#CC1=C(F)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671221	1	26	-1.0	-51.74	253.85	4.74	-47.00
C1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2S1	REAL250004671222	0	28	-1.0	-38.37	260.76	5.86	-32.51
C1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2S1	REAL250004671222	1	28	-1.0	-38.39	260.83	5.87	-32.52
C1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2S1	REAL250004671223	0	28	-1.0	-44.53	261.08	5.82	-38.71
C1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2S1	REAL250004671223	1	28	-1.0	-44.50	261.13	5.82	-38.68
CN1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL250004671224	0	32	-1.0	-40.78	285.35	6.53	-34.25
CN1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL250004671224	1	32	-1.0	-40.76	285.42	6.55	-34.21
CN1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=CC=CC=C21	REAL250004671225	0	32	-1.0	-47.04	285.71	6.49	-40.55
CN1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=CC=CC=C21	REAL250004671225	1	32	-1.0	-47.04	285.76	6.48	-40.56
COC1=CC(OC)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671226	0	33	-1.0	-41.33	282.80	3.09	-38.24
COC1=CC(OC)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671226	1	33	-1.0	-41.31	282.86	3.10	-38.21
COC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(OC)=C1	REAL250004671227	0	33	-1.0	-44.75	283.11	3.05	-41.70
COC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(OC)=C1	REAL250004671227	1	33	-1.0	-44.74	283.16	3.05	-41.69
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL250004671228	0	25	-1.0	-35.33	259.28	5.51	-29.82
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL250004671228	1	25	-1.0	-35.33	259.34	5.52	-29.81
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL250004671229	0	25	-1.0	-42.08	259.70	5.48	-36.60
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL250004671229	1	25	-1.0	-42.03	259.74	5.47	-36.56
ClC1=CC=C(Cl)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671230	0	25	-1.0	-36.80	259.29	5.52	-31.28
ClC1=CC=C(Cl)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671230	1	25	-1.0	-36.82	259.35	5.53	-31.29
ClC1=CC=C(Cl)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671231	0	25	-1.0	-41.90	259.68	5.49	-36.41
ClC1=CC=C(Cl)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671231	1	25	-1.0	-41.88	259.74	5.48	-36.40
COC1=NC=NC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671232	0	27	-1.0	-37.83	250.60	1.29	-36.54
COC1=NC=NC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671232	1	27	-1.0	-37.81	250.66	1.31	-36.50
COC1=NC=NC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671233	0	27	-1.0	-43.78	250.93	1.25	-42.53
COC1=NC=NC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671233	1	27	-1.0	-43.71	251.00	1.25	-42.46
C1=CC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=NC=C2S1	REAL250004671234	0	27	-1.0	-38.50	259.47	4.12	-34.38
C1=CC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=NC=C2S1	REAL250004671234	1	27	-1.0	-38.46	259.53	4.13	-34.33
C1=CC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=NC=C2S1	REAL250004671235	0	27	-1.0	-42.32	259.73	4.09	-38.23
C1=CC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=NC=C2S1	REAL250004671235	1	27	-1.0	-42.28	259.79	4.08	-38.20
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CO)=C1	REAL250004671236	0	32	-1.0	-38.59	276.07	2.59	-36.00
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CO)=C1	REAL250004671236	1	32	-1.0	-38.56	276.13	2.60	-35.96
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CO)=C1	REAL250004671237	0	32	-1.0	-43.40	275.42	2.61	-40.79
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CO)=C1	REAL250004671237	1	32	-1.0	-43.35	275.49	2.61	-40.74
CC1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671238	0	32	-1.0	-38.60	276.07	2.60	-36.00
CC1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671238	1	32	-1.0	-38.57	276.13	2.61	-35.96
CC1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671239	0	32	-1.0	-42.35	276.45	2.57	-39.78
CC1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671239	1	32	-1.0	-42.36	276.52	2.56	-39.80
C1=CC2=C(OCCCO2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671240	0	34	-1.0	-39.01	291.27	4.71	-34.30
C1=CC2=C(OCCCO2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671240	1	34	-1.0	-39.04	291.33	4.72	-34.32
C1=CC2=C(OCCCO2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671241	0	34	-1.0	-46.18	288.84	4.56	-41.62
C1=CC2=C(OCCCO2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671241	1	34	-1.0	-46.13	288.90	4.55	-41.58
CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CC)=C1	REAL250004671242	0	38	-1.0	-38.41	317.19	6.01	-32.40
CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CC)=C1	REAL250004671242	1	38	-1.0	-38.40	317.26	6.02	-32.38
CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CC)=C1	REAL250004671243	0	38	-1.0	-42.51	317.59	6.04	-36.47
CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CC)=C1	REAL250004671243	1	38	-1.0	-42.53	317.64	6.03	-36.50
C1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL250004671244	0	28	-1.0	-39.97	251.03	4.82	-35.15
C1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL250004671244	1	28	-1.0	-39.94	251.09	4.83	-35.11
C1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2O1	REAL250004671245	0	28	-1.0	-45.91	251.34	4.78	-41.13
C1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2O1	REAL250004671245	1	28	-1.0	-45.87	251.40	4.77	-41.10
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CO)=C1	REAL250004671246	0	33	-1.0	-39.39	284.11	1.22	-38.17
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CO)=C1	REAL250004671246	1	33	-1.0	-39.35	284.17	1.23	-38.12
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CO)=C1	REAL250004671247	0	33	-1.0	-44.10	283.48	1.23	-42.87
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CO)=C1	REAL250004671247	1	33	-1.0	-44.09	283.51	1.24	-42.85
CC1=CC(F)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004671248	0	28	-1.0	-40.89	263.91	5.49	-35.40
CC1=CC(F)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004671248	1	28	-1.0	-40.90	263.97	5.50	-35.40
CC1=CC(F)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004671249	0	28	-1.0	-44.51	264.26	5.44	-39.07
CC1=CC(F)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004671249	1	28	-1.0	-44.51	264.32	5.44	-39.07
N#CC1=CC(O)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671250	0	27	-1.0	-40.88	258.51	1.91	-38.97
N#CC1=CC(O)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671250	1	27	-1.0	-40.88	258.58	1.92	-38.96
N#CC1=CC(O)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671251	0	27	-1.0	-50.01	258.85	1.87	-48.14
N#CC1=CC(O)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671251	1	27	-1.0	-49.99	258.90	1.87	-48.12
FC1=CC(C2CC2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671252	0	32	-1.0	-41.85	284.38	6.83	-35.02
FC1=CC(C2CC2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671252	1	32	-1.0	-41.85	284.43	6.84	-35.01
FC1=CC(C2CC2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671253	0	32	-1.0	-44.09	284.65	6.76	-37.33
FC1=CC(C2CC2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671253	1	32	-1.0	-44.08	284.69	6.75	-37.33
C1=CN2C(=N1)C=CC=C2C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671254	0	28	-1.0	-38.60	256.92	5.13	-33.47
C1=CN2C(=N1)C=CC=C2C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671254	1	28	-1.0	-38.61	256.99	5.13	-33.48
C1=CN2C(=N1)C=CC=C2C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671255	0	28	-1.0	-44.40	257.26	5.07	-39.33
C1=CN2C(=N1)C=CC=C2C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671255	1	28	-1.0	-44.37	257.32	5.06	-39.31
C1=CC2=NON=C2C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671256	0	26	-1.0	-39.05	246.54	3.53	-35.52
C1=CC2=NON=C2C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671256	1	26	-1.0	-39.00	246.60	3.53	-35.47
C1=CC2=NON=C2C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671257	0	26	-1.0	-48.47	246.86	3.49	-44.98
C1=CC2=NON=C2C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671257	1	26	-1.0	-48.38	246.91	3.49	-44.89
CSC1=CC(C)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671258	0	31	-1.0	-38.47	284.39	4.48	-33.99
CSC1=CC(C)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671258	1	31	-1.0	-38.41	284.44	4.49	-33.92
CSC1=CC(C)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671259	0	31	-1.0	-41.86	284.76	4.44	-37.42
CSC1=CC(C)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671259	1	31	-1.0	-41.79	284.82	4.44	-37.35
OCC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671260	0	29	-1.0	-38.52	254.67	1.93	-36.59
OCC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671260	1	29	-1.0	-38.44	254.73	1.94	-36.50
OCC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671261	0	29	-1.0	-42.61	255.04	1.89	-40.72
OCC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671261	1	29	-1.0	-42.57	255.10	1.89	-40.68
COC1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671262	0	33	-1.0	-40.52	284.13	1.23	-39.29
COC1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671262	1	33	-1.0	-40.45	284.19	1.24	-39.21
COC1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671263	0	33	-1.0	-43.00	284.50	1.19	-41.81
COC1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671263	1	33	-1.0	-42.99	284.55	1.19	-41.80
CC1(C)CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2O1	REAL250004671264	0	36	-1.0	-40.29	301.30	5.73	-34.56
CC1(C)CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2O1	REAL250004671264	1	36	-1.0	-40.27	301.36	5.74	-34.53
CC1(C)CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2O1	REAL250004671265	0	36	-1.0	-44.49	301.61	5.70	-38.79
CC1(C)CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2O1	REAL250004671265	1	36	-1.0	-44.46	301.66	5.69	-38.77
O=C1CCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL250004671266	0	33	-1.0	-42.75	283.65	3.67	-39.08
O=C1CCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL250004671266	1	33	-1.0	-42.71	283.71	3.68	-39.03
O=C1CCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1	REAL250004671267	0	33	-1.0	-47.15	283.97	3.62	-43.53
O=C1CCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1	REAL250004671267	1	33	-1.0	-47.16	284.02	3.63	-43.53
CSC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671268	0	29	-1.0	-39.88	265.65	5.47	-34.41
CSC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671268	1	29	-1.0	-39.85	265.74	5.48	-34.37
CSC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671269	0	29	-1.0	-45.23	266.06	5.43	-39.80
CSC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671269	1	29	-1.0	-45.19	266.08	5.42	-39.77
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671270	0	25	-1.0	-36.03	255.81	4.70	-31.33
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671270	1	25	-1.0	-35.99	255.87	4.71	-31.28
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671271	0	25	-1.0	-43.11	256.12	4.67	-38.44
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671271	1	25	-1.0	-43.08	256.17	4.66	-38.42
COC1=CC(C)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671272	0	32	-1.0	-40.15	279.15	4.77	-35.38
COC1=CC(C)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671272	1	32	-1.0	-40.15	279.23	4.78	-35.37
COC1=CC(C)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671273	0	32	-1.0	-45.20	279.54	4.72	-40.48
COC1=CC(C)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671273	1	32	-1.0	-45.23	279.60	4.73	-40.50
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC1CC1	REAL250004671274	0	33	-1.0	-40.55	284.35	5.44	-35.11
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC1CC1	REAL250004671274	1	33	-1.0	-40.49	284.41	5.45	-35.04
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC1CC1	REAL250004671275	0	33	-1.0	-44.40	284.67	5.40	-39.00
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC1CC1	REAL250004671275	1	33	-1.0	-44.38	284.72	5.41	-38.97
C1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)CCOC2	REAL250004671276	0	33	-1.0	-39.67	277.57	4.59	-35.08
C1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)CCOC2	REAL250004671276	1	33	-1.0	-39.66	277.63	4.59	-35.07
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2COCCC2=C1	REAL250004671277	0	33	-1.0	-44.42	277.91	4.54	-39.88
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2COCCC2=C1	REAL250004671277	1	33	-1.0	-44.33	277.96	4.54	-39.79
COCC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671278	0	29	-1.0	-38.97	270.76	3.37	-35.60
COCC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671278	1	29	-1.0	-38.95	270.82	3.38	-35.57
COCC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671279	0	29	-1.0	-43.97	271.08	3.34	-40.63
COCC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671279	1	29	-1.0	-43.96	271.13	3.33	-40.63
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671280	0	22	-1.0	-38.37	234.06	4.31	-34.06
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671280	1	22	-1.0	-38.33	234.12	4.32	-34.01
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671281	0	22	-1.0	-40.52	234.37	4.27	-36.25
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671281	1	22	-1.0	-40.49	234.42	4.26	-36.23
COCCN1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671282	0	32	-1.0	-43.04	284.99	2.28	-40.76
COCCN1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671282	1	32	-1.0	-42.99	285.05	2.29	-40.70
COCCN1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671283	0	32	-1.0	-46.47	285.32	2.26	-44.21
COCCN1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671283	1	32	-1.0	-46.50	285.36	2.25	-44.25
O=CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671284	0	24	-1.0	-46.79	240.65	3.55	-43.24
O=CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671284	1	24	-1.0	-46.75	240.71	3.56	-43.19
O=CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671285	0	24	-1.0	-43.32	240.85	3.49	-39.83
O=CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671285	1	24	-1.0	-43.31	240.91	3.48	-39.83
NC1=CC=C(CCO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671286	0	34	-1.0	-40.40	293.25	0.34	-40.06
NC1=CC=C(CCO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671286	1	34	-1.0	-40.36	293.29	0.33	-40.03
NC1=CC=C(CCO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671287	0	34	-1.0	-44.75	292.70	0.31	-44.44
NC1=CC=C(CCO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671287	1	34	-1.0	-44.74	292.77	0.30	-44.44
CSC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671288	0	29	-1.0	-37.98	269.79	5.55	-32.43
CSC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671288	1	29	-1.0	-37.95	269.85	5.56	-32.39
CSC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671289	0	29	-1.0	-43.58	270.11	5.52	-38.06
CSC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671289	1	29	-1.0	-43.54	270.16	5.51	-38.03
O=CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671290	0	27	-1.0	-40.33	246.94	4.20	-36.13
O=CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671290	1	27	-1.0	-40.32	247.00	4.22	-36.10
O=CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671291	0	27	-1.0	-46.60	247.17	4.17	-42.43
O=CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671291	1	27	-1.0	-46.61	247.31	4.16	-42.45
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C#N	REAL250004671292	0	29	-1.0	-38.53	263.81	5.37	-33.16
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C#N	REAL250004671292	1	29	-1.0	-38.54	263.87	5.38	-33.16
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C#N	REAL250004671293	0	29	-1.0	-46.73	264.13	5.34	-41.39
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C#N	REAL250004671293	1	29	-1.0	-46.75	264.18	5.33	-41.42
CN(C)C(=O)C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671294	0	34	-1.0	-41.59	289.68	2.46	-39.13
CN(C)C(=O)C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671294	1	34	-1.0	-41.62	289.74	2.47	-39.15
CN(C)C(=O)C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671295	0	34	-1.0	-49.84	290.89	2.40	-47.44
CN(C)C(=O)C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671295	1	34	-1.0	-49.81	290.94	2.39	-47.42
C1=NN(C2=CC=CC=N2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671296	0	31	-1.0	-42.89	282.93	5.13	-37.76
C1=NN(C2=CC=CC=N2)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671296	1	31	-1.0	-42.91	282.87	5.12	-37.79
C1=NN(C2=CC=CC=N2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671297	0	31	-1.0	-48.77	283.24	5.08	-43.69
C1=NN(C2=CC=CC=N2)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671297	1	31	-1.0	-48.81	283.19	5.08	-43.73
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)OC(C2CC2)=N1	REAL250004671298	0	28	-1.0	-37.39	257.53	1.97	-35.42
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)OC(C2CC2)=N1	REAL250004671298	1	28	-1.0	-37.35	257.59	1.97	-35.38
C1=C(C2=CN=C(C3=N[N-]N=N3)C=C2)OC(C2CC2)=N1	REAL250004671299	0	28	-1.0	-43.44	257.84	1.92	-41.52
C1=C(C2=CN=C(C3=NN=N[N-]3)C=C2)OC(C2CC2)=N1	REAL250004671299	1	28	-1.0	-43.39	257.89	1.91	-41.48
COC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671300	0	31	-1.0	-44.81	283.08	5.15	-39.66
COC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671300	1	31	-1.0	-44.78	283.14	5.16	-39.62
COC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671301	0	31	-1.0	-47.66	283.39	5.11	-42.55
COC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671301	1	31	-1.0	-47.65	283.45	5.11	-42.54
C1=NN=C2C=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN12	REAL250004671302	0	27	-1.0	-42.40	252.33	6.03	-36.37
C1=NN=C2C=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN12	REAL250004671302	1	27	-1.0	-42.37	252.40	6.04	-36.33
C1=NN=C2C=CC(C3=CN=C(C4=N[N-]N=N4)C=C3)=CN12	REAL250004671303	0	27	-1.0	-47.28	252.66	5.99	-41.29
C1=NN=C2C=CC(C3=CN=C(C4=NN=N[N-]4)C=C3)=CN12	REAL250004671303	1	27	-1.0	-47.22	252.71	5.99	-41.23
CC1=C(Cl)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671304	0	28	-1.0	-38.06	261.01	5.63	-32.43
CC1=C(Cl)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671304	1	28	-1.0	-38.03	261.06	5.64	-32.39
CC1=C(Cl)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671305	0	28	-1.0	-41.94	260.01	5.47	-36.47
CC1=C(Cl)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671305	1	28	-1.0	-41.94	260.05	5.47	-36.47
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL250004671306	0	25	-1.0	-35.47	248.96	5.07	-30.40
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL250004671306	1	25	-1.0	-35.45	249.03	5.08	-30.37
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL250004671307	0	25	-1.0	-42.42	249.39	5.04	-37.38
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL250004671307	1	25	-1.0	-42.40	249.44	5.03	-37.37
CN1C(Cl)=NC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671308	0	25	-1.0	-36.60	240.29	3.34	-33.26
CN1C(Cl)=NC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671308	1	25	-1.0	-36.57	240.35	3.34	-33.23
CN1C(Cl)=NC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671309	0	25	-1.0	-42.76	240.51	3.30	-39.46
CN1C(Cl)=NC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671309	1	25	-1.0	-42.75	240.56	3.29	-39.46
N#CC1=CC(Cl)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671310	0	26	-1.0	-38.16	261.41	5.39	-32.77
N#CC1=CC(Cl)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671310	1	26	-1.0	-38.15	261.47	5.40	-32.75
N#CC1=CC(Cl)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671311	0	26	-1.0	-44.06	261.73	5.36	-38.70
N#CC1=CC(Cl)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671311	1	26	-1.0	-44.05	261.78	5.35	-38.70
CC1=C(Cl)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671312	0	28	-1.0	-38.06	261.01	5.63	-32.43
CC1=C(Cl)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671312	1	28	-1.0	-38.03	261.06	5.64	-32.39
CC1=C(Cl)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671313	0	28	-1.0	-41.94	260.01	5.47	-36.47
CC1=C(Cl)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671313	1	28	-1.0	-41.94	260.05	5.47	-36.47
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004671314	0	28	-1.0	-36.88	259.28	5.59	-31.29
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004671314	1	28	-1.0	-36.85	259.34	5.60	-31.25
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004671315	0	28	-1.0	-42.61	259.60	5.55	-37.06
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004671315	1	28	-1.0	-42.55	259.65	5.55	-37.00
COC(=O)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C	REAL250004671316	0	34	-1.0	-38.70	294.62	5.66	-33.04
COC(=O)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C	REAL250004671316	1	34	-1.0	-38.62	294.68	5.68	-32.94
COC(=O)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C	REAL250004671317	0	34	-1.0	-45.55	294.94	5.63	-39.92
COC(=O)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C	REAL250004671317	1	34	-1.0	-45.54	294.99	5.62	-39.92
CCCC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671318	0	34	-1.0	-38.75	287.36	6.54	-32.21
CCCC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671318	1	34	-1.0	-38.71	287.42	6.55	-32.16
CCCC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671319	0	34	-1.0	-42.41	287.73	6.57	-35.84
CCCC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671319	1	34	-1.0	-42.42	287.78	6.56	-35.86
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1F	REAL250004671320	0	28	-1.0	-44.47	261.73	5.43	-39.04
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1F	REAL250004671320	1	28	-1.0	-44.42	261.78	5.44	-38.98
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1F	REAL250004671321	0	28	-1.0	-44.42	262.11	5.38	-39.04
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1F	REAL250004671321	1	28	-1.0	-44.39	262.17	5.38	-39.01
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC=C1C(F)F	REAL250004671322	0	28	-1.0	-39.80	265.34	5.52	-34.28
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC=C1C(F)F	REAL250004671322	1	28	-1.0	-39.78	265.40	5.53	-34.25
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC=C1C(F)F	REAL250004671323	0	28	-1.0	-46.67	265.75	5.48	-41.19
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC=C1C(F)F	REAL250004671323	1	28	-1.0	-46.69	265.79	5.49	-41.20
OC1(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CCC1	REAL250004671324	0	36	-1.0	-40.03	297.04	3.89	-36.14
OC1(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CCC1	REAL250004671324	1	36	-1.0	-40.00	297.10	3.90	-36.10
OC1(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CCC1	REAL250004671325	0	36	-1.0	-44.66	297.36	3.86	-40.80
OC1(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CCC1	REAL250004671325	1	36	-1.0	-44.65	297.41	3.85	-40.80
FC(F)(F)C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004671326	0	25	-1.0	-37.08	252.69	4.49	-32.59
FC(F)(F)C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004671326	1	25	-1.0	-37.08	252.75	4.50	-32.58
FC(F)(F)C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CS1	REAL250004671327	0	25	-1.0	-44.60	253.02	4.44	-40.16
FC(F)(F)C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CS1	REAL250004671327	1	25	-1.0	-44.60	253.08	4.44	-40.16
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CN=C1F	REAL250004671328	0	27	-1.0	-36.63	246.30	3.24	-33.39
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CN=C1F	REAL250004671328	1	27	-1.0	-36.62	246.37	3.26	-33.36
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CN=C1F	REAL250004671329	0	27	-1.0	-42.50	246.64	3.20	-39.30
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CN=C1F	REAL250004671329	1	27	-1.0	-42.47	246.69	3.19	-39.28
CC(O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671330	0	32	-1.0	-40.21	274.55	2.76	-37.45
CC(O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671330	1	32	-1.0	-40.18	274.61	2.77	-37.41
CC(O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671331	0	32	-1.0	-44.71	274.87	2.71	-42.00
CC(O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671331	1	32	-1.0	-44.70	274.92	2.72	-41.98
COC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671332	0	29	-1.0	-38.55	259.55	3.87	-34.68
COC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671332	1	29	-1.0	-38.50	259.61	3.88	-34.62
COC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671333	0	29	-1.0	-44.17	259.87	3.83	-40.34
COC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671333	1	29	-1.0	-44.11	259.92	3.82	-40.29
NC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671334	0	26	-1.0	-40.16	254.32	0.55	-39.61
NC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671334	1	26	-1.0	-40.11	254.38	0.57	-39.54
NC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671335	0	26	-1.0	-44.94	254.63	0.51	-44.43
NC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671335	1	26	-1.0	-44.89	254.68	0.50	-44.39
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CN=C1Cl	REAL250004671338	0	27	-1.0	-39.87	254.49	3.73	-36.14
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CN=C1Cl	REAL250004671338	1	27	-1.0	-39.84	254.55	3.74	-36.10
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CN=C1Cl	REAL250004671339	0	27	-1.0	-42.91	254.80	3.69	-39.22
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CN=C1Cl	REAL250004671339	1	27	-1.0	-42.91	254.85	3.69	-39.22
COC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004671340	0	31	-1.0	-40.13	271.14	1.94	-38.19
COC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004671340	1	31	-1.0	-40.10	271.20	1.95	-38.15
COC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004671341	0	31	-1.0	-43.87	271.46	1.90	-41.97
COC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004671341	1	31	-1.0	-43.83	271.51	1.90	-41.93
CC(C)OC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671342	0	34	-1.0	-38.67	288.31	3.57	-35.10
CC(C)OC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671342	1	34	-1.0	-38.60	288.37	3.58	-35.02
CC(C)OC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671343	0	34	-1.0	-42.35	288.71	3.54	-38.81
CC(C)OC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671343	1	34	-1.0	-42.28	288.76	3.53	-38.75
NC1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL250004671344	0	33	-1.0	-41.97	285.03	4.62	-37.35
NC1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL250004671344	1	33	-1.0	-41.95	285.09	4.63	-37.32
NC1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C=C1	REAL250004671345	0	33	-1.0	-45.73	285.35	4.59	-41.14
NC1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C=C1	REAL250004671345	1	33	-1.0	-45.69	285.40	4.58	-41.11
FC(F)C1=CSC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671346	0	25	-1.0	-40.21	246.89	4.23	-35.98
FC(F)C1=CSC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671346	1	25	-1.0	-40.19	246.95	4.24	-35.95
FC(F)C1=CSC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671347	0	25	-1.0	-44.56	247.19	4.19	-40.37
FC(F)C1=CSC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671347	1	25	-1.0	-44.54	247.27	4.18	-40.36
CC1=CC(C)=NC(C2=CN=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004671348	0	29	-1.0	-42.25	262.04	3.57	-38.68
CC1=CC(C)=NC(C2=CN=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004671348	1	29	-1.0	-42.23	262.10	3.58	-38.65
CC1=CC(C)=NC(C2=CC=C(C3=N[N-]N=N3)N=C2)=N1	REAL250004671349	0	29	-1.0	-44.87	262.36	3.53	-41.34
CC1=CC(C)=NC(C2=CC=C(C3=NN=N[N-]3)N=C2)=N1	REAL250004671349	1	29	-1.0	-44.84	262.41	3.53	-41.31
FC(F)(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004671350	0	27	-1.0	-47.73	261.06	3.94	-43.79
FC(F)(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004671350	1	27	-1.0	-47.69	261.12	3.95	-43.74
FC(F)(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=N1	REAL250004671351	0	27	-1.0	-45.16	261.32	3.91	-41.25
FC(F)(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=N1	REAL250004671351	1	27	-1.0	-45.12	261.37	3.90	-41.22
FC(F)(F)C1=CC=NC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671352	0	27	-1.0	-40.22	260.40	3.92	-36.30
FC(F)(F)C1=CC=NC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671352	1	27	-1.0	-40.16	260.46	3.93	-36.23
FC(F)(F)C1=CC=NC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671353	0	27	-1.0	-42.75	260.66	3.88	-38.87
FC(F)(F)C1=CC=NC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671353	1	27	-1.0	-42.66	260.71	3.88	-38.78
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=CC=CNC2=N1	REAL250004671354	0	28	-1.0	-52.45	257.94	4.14	-48.31
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=CC=CNC2=N1	REAL250004671354	1	28	-1.0	-52.51	258.01	4.15	-48.36
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=CC=CNC2=N1	REAL250004671355	0	28	-1.0	-54.46	258.27	4.09	-50.37
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=CC=CNC2=N1	REAL250004671355	1	28	-1.0	-54.38	258.32	4.08	-50.30
CC1=NNC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C12	REAL250004671356	0	31	-1.0	-40.63	272.34	3.78	-36.85
CC1=NNC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C12	REAL250004671356	1	31	-1.0	-40.64	272.40	3.80	-36.84
CC1=NNC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C12	REAL250004671357	0	31	-1.0	-45.94	272.65	3.75	-42.19
CC1=NNC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C12	REAL250004671357	1	31	-1.0	-45.91	272.70	3.74	-42.17
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004671358	0	25	-1.0	-39.58	246.43	5.05	-34.53
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004671358	1	25	-1.0	-39.54	246.49	5.06	-34.48
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004671359	0	25	-1.0	-43.28	246.74	5.02	-38.26
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004671359	1	25	-1.0	-43.24	246.80	5.01	-38.23
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004671360	0	28	-1.0	-36.88	259.28	5.59	-31.29
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004671360	1	28	-1.0	-36.85	259.34	5.60	-31.25
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004671361	0	28	-1.0	-42.61	259.60	5.55	-37.06
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004671361	1	28	-1.0	-42.55	259.65	5.55	-37.00
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL250004671362	0	28	-1.0	-40.80	264.02	5.72	-35.08
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL250004671362	1	28	-1.0	-40.77	264.06	5.73	-35.04
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL250004671363	0	28	-1.0	-43.71	264.38	5.63	-38.08
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL250004671363	1	28	-1.0	-43.71	264.43	5.63	-38.08
FC1=CC(Cl)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671364	0	25	-1.0	-35.83	251.79	5.20	-30.63
FC1=CC(Cl)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671364	1	25	-1.0	-35.77	251.87	5.22	-30.55
FC1=CC(Cl)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671365	0	25	-1.0	-42.92	252.21	5.17	-37.75
FC1=CC(Cl)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671365	1	25	-1.0	-42.87	252.26	5.16	-37.71
CC1=CC=C(F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671366	0	28	-1.0	-41.84	256.58	5.40	-36.44
CC1=CC=C(F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671366	1	28	-1.0	-41.84	256.66	5.41	-36.43
CC1=CC=C(F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671367	0	28	-1.0	-43.31	256.89	5.35	-37.96
CC1=CC=C(F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671367	1	28	-1.0	-43.28	256.95	5.35	-37.93
FC1=C(Cl)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671368	0	25	-1.0	-43.14	251.35	5.22	-37.92
FC1=C(Cl)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671368	1	25	-1.0	-43.11	251.43	5.23	-37.88
FC1=C(Cl)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671369	0	25	-1.0	-45.42	251.66	5.15	-40.27
FC1=C(Cl)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671369	1	25	-1.0	-45.34	251.70	5.15	-40.19
FC1=CC=C(Cl)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671370	0	25	-1.0	-37.36	251.80	5.21	-32.15
FC1=CC=C(Cl)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671370	1	25	-1.0	-37.31	251.86	5.22	-32.09
FC1=CC=C(Cl)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671371	0	25	-1.0	-42.72	252.19	5.17	-37.55
FC1=CC=C(Cl)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671371	1	25	-1.0	-42.73	252.24	5.16	-37.57
O=CC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671372	0	26	-1.0	-43.89	242.17	2.43	-41.46
O=CC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671372	1	26	-1.0	-43.89	242.23	2.44	-41.45
O=CC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671373	0	26	-1.0	-48.93	242.58	2.40	-46.53
O=CC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671373	1	26	-1.0	-48.85	242.63	2.39	-46.46
COC(=O)C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671374	0	30	-1.0	-38.83	273.81	3.36	-35.47
COC(=O)C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671374	1	30	-1.0	-38.76	273.87	3.37	-35.39
COC(=O)C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671375	0	30	-1.0	-46.07	274.13	3.33	-42.74
COC(=O)C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671375	1	30	-1.0	-46.05	274.18	3.32	-42.73
CN1C=CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C21	REAL250004671376	0	32	-1.0	-39.62	272.68	5.80	-33.82
CN1C=CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C21	REAL250004671376	1	32	-1.0	-39.63	272.75	5.81	-33.82
CN1C=CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C21	REAL250004671377	0	32	-1.0	-42.56	274.81	5.87	-36.69
CN1C=CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C21	REAL250004671377	1	32	-1.0	-42.55	274.84	5.85	-36.70
O=C1NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2CO1	REAL250004671378	0	31	-1.0	-43.45	274.46	2.49	-40.96
O=C1NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2CO1	REAL250004671378	1	31	-1.0	-43.34	274.53	2.51	-40.83
O=C1NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2CO1	REAL250004671379	0	31	-1.0	-48.68	274.75	2.46	-46.22
O=C1NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2CO1	REAL250004671379	1	31	-1.0	-48.69	274.80	2.46	-46.23
COC1=CC(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1O	REAL250004671380	0	34	-1.0	-41.65	298.95	3.07	-38.58
COC1=CC(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1O	REAL250004671380	1	34	-1.0	-41.65	299.02	3.07	-38.58
COC1=CC(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1O	REAL250004671381	0	34	-1.0	-47.30	299.28	3.03	-44.27
COC1=CC(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1O	REAL250004671381	1	34	-1.0	-47.22	299.33	3.02	-44.20
C1=NN2C(=N1)C=NC=C2C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671382	0	26	-1.0	-38.88	247.91	3.29	-35.59
C1=NN2C(=N1)C=NC=C2C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671382	1	26	-1.0	-38.91	247.97	3.29	-35.62
C1=NN2C(=N1)C=NC=C2C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671383	0	26	-1.0	-45.28	248.33	3.23	-42.05
C1=NN2C(=N1)C=NC=C2C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671383	1	26	-1.0	-45.26	248.39	3.22	-42.04
FC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671384	0	25	-1.0	-44.47	241.48	4.78	-39.69
FC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671384	1	25	-1.0	-44.45	241.55	4.79	-39.66
FC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671385	0	25	-1.0	-46.42	241.76	4.70	-41.72
FC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671385	1	25	-1.0	-46.37	241.82	4.70	-41.67
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL250004671386	0	25	-1.0	-39.74	246.43	5.05	-34.69
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL250004671386	1	25	-1.0	-39.70	246.49	5.06	-34.64
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL250004671387	0	25	-1.0	-43.10	246.74	5.02	-38.08
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL250004671387	1	25	-1.0	-43.08	246.80	5.01	-38.07
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671388	0	28	-1.0	-37.82	250.55	5.18	-32.64
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671388	1	28	-1.0	-37.84	250.61	5.19	-32.65
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671389	0	28	-1.0	-42.72	250.87	5.15	-37.57
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671389	1	28	-1.0	-42.65	250.92	5.14	-37.51
CSC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671390	0	29	-1.0	-38.45	264.03	5.50	-32.95
CSC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671390	1	29	-1.0	-38.46	264.10	5.51	-32.95
CSC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671391	0	29	-1.0	-44.90	264.35	5.47	-39.43
CSC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671391	1	29	-1.0	-44.89	264.40	5.46	-39.43
CC1=CC=C(Cl)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671392	0	28	-1.0	-38.76	262.30	5.60	-33.16
CC1=CC=C(Cl)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671392	1	28	-1.0	-38.70	262.38	5.61	-33.09
CC1=CC=C(Cl)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671393	0	28	-1.0	-41.56	262.63	5.56	-36.00
CC1=CC=C(Cl)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671393	1	28	-1.0	-41.48	262.69	5.56	-35.92
CC1=CC=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671394	0	28	-1.0	-39.35	252.00	5.14	-34.21
CC1=CC=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671394	1	28	-1.0	-39.34	252.06	5.16	-34.18
CC1=CC=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671395	0	28	-1.0	-41.90	252.32	5.11	-36.79
CC1=CC=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671395	1	28	-1.0	-41.87	252.37	5.10	-36.77
O=CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671396	0	24	-1.0	-40.38	238.44	3.33	-37.05
O=CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671396	1	24	-1.0	-40.35	238.50	3.35	-37.00
O=CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671397	0	24	-1.0	-48.75	238.76	3.30	-45.45
O=CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671397	1	24	-1.0	-48.73	238.81	3.29	-45.44
FC(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671398	0	27	-1.0	-38.77	253.44	3.58	-35.19
FC(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671398	1	27	-1.0	-38.75	253.50	3.59	-35.16
FC(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671399	0	27	-1.0	-43.24	253.75	3.55	-39.69
FC(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671399	1	27	-1.0	-43.20	253.81	3.54	-39.66
N#CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C1CC1	REAL250004671400	0	33	-1.0	-38.17	291.80	6.81	-31.36
N#CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C1CC1	REAL250004671400	1	33	-1.0	-38.14	291.86	6.82	-31.32
N#CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C1CC1	REAL250004671401	0	33	-1.0	-46.67	292.12	6.78	-39.89
N#CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C1CC1	REAL250004671401	1	33	-1.0	-46.64	292.17	6.77	-39.87
CCOC1=CC=C(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671402	0	36	-1.0	-40.06	310.04	6.15	-33.91
CCOC1=CC=C(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671402	1	36	-1.0	-40.09	310.10	6.15	-33.94
CCOC1=CC=C(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671403	0	36	-1.0	-45.43	310.36	6.11	-39.32
CCOC1=CC=C(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671403	1	36	-1.0	-45.40	310.41	6.10	-39.30
C1=C(C2=CC=CC=C2)OC(C2=CN=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004671404	0	31	-1.0	-40.20	285.39	3.33	-36.87
C1=C(C2=CC=CC=C2)OC(C2=CN=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004671404	1	31	-1.0	-40.20	285.45	3.33	-36.87
C1=C(C2=CC=CC=C2)OC(C2=CC=C(C3=N[N-]N=N3)N=C2)=N1	REAL250004671405	0	31	-1.0	-42.54	285.70	3.27	-39.27
C1=C(C2=CC=CC=C2)OC(C2=CC=C(C3=NN=N[N-]3)N=C2)=N1	REAL250004671405	1	31	-1.0	-42.54	285.76	3.27	-39.27
C1=NC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC=C2S1	REAL250004671406	0	27	-1.0	-41.25	261.01	4.18	-37.07
C1=NC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC=C2S1	REAL250004671406	1	27	-1.0	-41.18	261.07	4.18	-37.00
C1=NC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC=C2S1	REAL250004671407	0	27	-1.0	-47.94	261.34	4.15	-43.79
C1=NC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC=C2S1	REAL250004671407	1	27	-1.0	-47.87	261.39	4.14	-43.73
FC1=CC=C(F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671408	0	25	-1.0	-37.75	241.48	4.75	-33.00
FC1=CC=C(F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671408	1	25	-1.0	-37.74	241.54	4.76	-32.98
FC1=CC=C(F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671409	0	25	-1.0	-42.91	241.86	4.72	-38.19
FC1=CC=C(F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671409	1	25	-1.0	-42.91	241.92	4.71	-38.20
CCC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671410	0	31	-1.0	-38.55	265.90	5.78	-32.77
CCC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671410	1	31	-1.0	-38.54	265.97	5.79	-32.75
CCC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671411	0	31	-1.0	-42.22	266.33	5.74	-36.48
CCC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671411	1	31	-1.0	-42.18	266.39	5.73	-36.45
CC1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671412	0	28	-1.0	-36.94	251.98	5.14	-31.80
CC1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671412	1	28	-1.0	-36.89	252.04	5.16	-31.73
CC1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671413	0	28	-1.0	-41.39	252.31	5.11	-36.28
CC1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671413	1	28	-1.0	-41.33	252.36	5.10	-36.23
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671414	0	28	-1.0	-36.98	250.55	5.19	-31.79
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671414	1	28	-1.0	-36.93	250.61	5.20	-31.73
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671415	0	28	-1.0	-42.92	250.87	5.16	-37.76
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671415	1	28	-1.0	-42.92	250.92	5.15	-37.77
OC1=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2C=C1	REAL250004671416	0	32	-1.0	-40.64	280.92	3.91	-36.73
OC1=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2C=C1	REAL250004671416	1	32	-1.0	-40.66	280.98	3.92	-36.74
OC1=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2C=C1	REAL250004671417	0	32	-1.0	-46.21	281.23	3.87	-42.34
OC1=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2C=C1	REAL250004671417	1	32	-1.0	-46.18	281.29	3.87	-42.31
CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL250004671418	0	28	-1.0	-38.01	261.29	5.57	-32.44
CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL250004671418	1	28	-1.0	-38.00	261.35	5.59	-32.41
CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1Cl	REAL250004671419	0	28	-1.0	-44.03	261.69	5.54	-38.49
CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1Cl	REAL250004671419	1	28	-1.0	-44.01	261.74	5.54	-38.47
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C(F)F	REAL250004671420	0	28	-1.0	-38.60	263.03	5.44	-33.16
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C(F)F	REAL250004671420	1	28	-1.0	-38.58	263.09	5.45	-33.13
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C(F)F	REAL250004671421	0	28	-1.0	-42.70	263.34	5.40	-37.30
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C(F)F	REAL250004671421	1	28	-1.0	-42.66	263.39	5.40	-37.26
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC(N)=N1	REAL250004671422	0	29	-1.0	-39.32	255.83	2.09	-37.23
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC(N)=N1	REAL250004671422	1	29	-1.0	-39.24	255.89	2.11	-37.13
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(N)=N1	REAL250004671423	0	29	-1.0	-43.71	256.15	2.06	-41.65
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(N)=N1	REAL250004671423	1	29	-1.0	-43.67	256.20	2.05	-41.62
C1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL250004671424	0	27	-1.0	-41.16	245.42	1.40	-39.76
C1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL250004671424	1	27	-1.0	-41.14	245.49	1.42	-39.72
C1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2O1	REAL250004671425	0	27	-1.0	-46.87	245.74	1.37	-45.50
C1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2O1	REAL250004671425	1	27	-1.0	-46.78	245.79	1.36	-45.42
CC1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL250004671426	0	30	-1.0	-40.65	267.41	2.15	-38.50
CC1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL250004671426	1	30	-1.0	-40.66	267.47	2.16	-38.50
CC1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2O1	REAL250004671427	0	30	-1.0	-46.65	267.73	2.11	-44.54
CC1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2O1	REAL250004671427	1	30	-1.0	-46.59	267.78	2.10	-44.49
CN(C)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004671428	0	32	-1.0	-39.29	273.98	4.37	-34.92
CN(C)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004671428	1	32	-1.0	-39.27	274.04	4.38	-34.89
CN(C)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004671429	0	32	-1.0	-43.94	273.65	4.29	-39.65
CN(C)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004671429	1	32	-1.0	-43.87	273.70	4.28	-39.59
COC1=NSC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671430	0	25	-1.0	-37.33	246.26	0.55	-36.78
COC1=NSC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671430	1	25	-1.0	-37.30	246.33	0.56	-36.74
COC1=NSC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671431	0	25	-1.0	-44.21	246.59	0.53	-43.68
COC1=NSC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671431	1	25	-1.0	-44.20	246.65	0.52	-43.68
O=CC1=CC=CC(CO)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671432	0	31	-1.0	-39.56	276.96	1.58	-37.98
O=CC1=CC=CC(CO)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671432	1	31	-1.0	-39.57	277.02	1.59	-37.98
O=CC1=CC=CC(CO)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671433	0	31	-1.0	-49.98	274.64	1.63	-48.35
O=CC1=CC=CC(CO)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671433	1	31	-1.0	-49.94	274.69	1.63	-48.31
ClC1=CSC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671434	0	22	-1.0	-36.31	233.90	4.20	-32.11
ClC1=CSC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671434	1	22	-1.0	-36.29	233.96	4.22	-32.07
ClC1=CSC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671435	0	22	-1.0	-40.76	234.21	4.16	-36.60
ClC1=CSC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671435	1	22	-1.0	-40.70	234.25	4.15	-36.55
C1=NN(C2=CC=NC=C2)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671436	0	31	-1.0	-43.42	280.93	4.03	-39.39
C1=NN(C2=CC=NC=C2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671436	1	31	-1.0	-43.34	280.99	4.04	-39.30
C1=NN(C2=CC=NC=C2)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671437	0	31	-1.0	-47.32	281.25	4.00	-43.32
C1=NN(C2=CC=NC=C2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671437	1	31	-1.0	-47.26	281.29	4.00	-43.26
FC(F)OC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671438	0	28	-1.0	-41.15	258.19	2.22	-38.93
FC(F)OC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671438	1	28	-1.0	-41.14	258.26	2.23	-38.91
FC(F)OC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671439	0	28	-1.0	-45.07	258.51	2.18	-42.89
FC(F)OC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671439	1	28	-1.0	-45.03	258.56	2.17	-42.86
FCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671440	0	28	-1.0	-40.11	251.83	5.30	-34.81
FCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671440	1	28	-1.0	-40.06	251.89	5.31	-34.75
FCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671441	0	28	-1.0	-44.31	252.15	5.27	-39.04
FCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671441	1	28	-1.0	-44.32	252.20	5.26	-39.06
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=C1	REAL250004671442	0	31	-1.0	-38.55	266.98	5.74	-32.81
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=C1	REAL250004671442	1	31	-1.0	-38.53	267.05	5.75	-32.78
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=C1	REAL250004671443	0	31	-1.0	-42.27	267.31	5.71	-36.56
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=C1	REAL250004671443	1	31	-1.0	-42.27	267.36	5.70	-36.57
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)OC2=CC=CC=C12	REAL250004671444	0	28	-1.0	-42.78	256.18	5.18	-37.60
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)OC2=CC=CC=C12	REAL250004671444	1	28	-1.0	-42.77	256.24	5.18	-37.59
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)OC2=CC=CC=C12	REAL250004671445	0	28	-1.0	-43.09	256.50	5.12	-37.97
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)OC2=CC=CC=C12	REAL250004671445	1	28	-1.0	-43.09	256.55	5.12	-37.97
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC2=C1CCO2	REAL250004671446	0	33	-1.0	-39.33	281.53	4.94	-34.39
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC2=C1CCO2	REAL250004671446	1	33	-1.0	-39.37	281.60	4.95	-34.42
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC2=C1CCO2	REAL250004671447	0	33	-1.0	-43.42	282.51	4.98	-38.44
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC2=C1CCO2	REAL250004671447	1	33	-1.0	-43.38	282.56	4.97	-38.41
N#CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL250004671450	0	26	-1.0	-39.51	262.12	5.29	-34.22
N#CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL250004671450	1	26	-1.0	-39.53	262.18	5.30	-34.23
N#CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1Cl	REAL250004671451	0	26	-1.0	-48.35	262.46	5.25	-43.10
N#CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1Cl	REAL250004671451	1	26	-1.0	-48.27	262.49	5.24	-43.03
C1=CC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC=C2O1	REAL250004671452	0	28	-1.0	-39.75	256.62	4.95	-34.80
C1=CC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC=C2O1	REAL250004671452	1	28	-1.0	-39.74	256.67	4.96	-34.78
C1=CC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC=C2O1	REAL250004671453	0	28	-1.0	-44.84	256.90	4.93	-39.91
C1=CC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC=C2O1	REAL250004671453	1	28	-1.0	-44.78	256.93	4.91	-39.87
FC(F)(F)N1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671454	0	25	-1.0	-39.20	249.11	2.60	-36.60
FC(F)(F)N1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671454	1	25	-1.0	-39.17	249.17	2.61	-36.56
FC(F)(F)N1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671455	0	25	-1.0	-44.58	249.43	2.56	-42.02
FC(F)(F)N1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671455	1	25	-1.0	-44.55	249.48	2.56	-41.99
FC(F)OC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671456	0	29	-1.0	-39.85	263.09	4.06	-35.79
FC(F)OC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671456	1	29	-1.0	-39.88	263.15	4.07	-35.81
FC(F)OC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671457	0	29	-1.0	-45.34	263.40	4.03	-41.31
FC(F)OC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671457	1	29	-1.0	-45.34	263.45	4.01	-41.33
C1=NN(C2CCCCO2)N=C1C1=CC(C2=N[N-]N=N2)=CN=C1	REAL250004671458	0	35	-1.0	-39.24	301.55	1.58	-37.66
C1=NN(C2CCCCO2)N=C1C1=CC(C2=NN=N[N-]2)=CN=C1	REAL250004671458	1	35	-1.0	-39.26	301.61	1.59	-37.67
C1=NN(C2CCCCO2)N=C1C1=CN=C(C2=N[N-]N=N2)C=C1	REAL250004671459	0	35	-1.0	-46.25	301.86	1.55	-44.70
C1=NN(C2CCCCO2)N=C1C1=CN=C(C2=NN=N[N-]2)C=C1	REAL250004671459	1	35	-1.0	-46.21	301.91	1.54	-44.67
FC1=CC(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)=CC(F)=C1	REAL250004671460	0	29	-1.0	-38.75	271.57	6.06	-32.69
FC1=CC(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)=CC(F)=C1	REAL250004671460	1	29	-1.0	-38.71	271.63	6.06	-32.65
FC1=CC(F)=CC(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671461	0	29	-1.0	-43.87	271.89	6.01	-37.86
FC1=CC(F)=CC(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671461	1	29	-1.0	-43.85	271.94	6.01	-37.84
FC1=CC=C2OCOC2=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671462	0	28	-1.0	-42.30	262.93	3.45	-38.85
FC1=CC=C2OCOC2=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671462	1	28	-1.0	-42.28	262.98	3.47	-38.81
FC1=CC=C2OCOC2=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671463	0	28	-1.0	-45.70	263.28	3.41	-42.29
FC1=CC=C2OCOC2=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671463	1	28	-1.0	-45.72	263.33	3.41	-42.31
CN1N=CC2=NC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL250004671464	0	30	-1.0	-41.41	268.04	2.52	-38.89
CN1N=CC2=NC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL250004671464	1	30	-1.0	-41.34	268.10	2.53	-38.81
CN1N=CC2=NC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL250004671465	0	30	-1.0	-45.31	268.35	2.48	-42.83
CN1N=CC2=NC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL250004671465	1	30	-1.0	-45.24	268.40	2.48	-42.76
COCCN1N=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004671466	0	38	-1.0	-40.46	329.63	3.51	-36.95
COCCN1N=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004671466	1	38	-1.0	-40.44	329.70	3.51	-36.93
COCCN1N=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C	REAL250004671467	0	38	-1.0	-43.69	327.14	3.33	-40.36
COCCN1N=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C	REAL250004671467	1	38	-1.0	-43.61	327.21	3.32	-40.29
COC1=CC(C)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=C1	REAL250004671468	0	35	-1.0	-38.54	294.69	4.95	-33.59
COC1=CC(C)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=C1	REAL250004671468	1	35	-1.0	-38.47	294.73	4.96	-33.51
COC1=CC(C)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=C1	REAL250004671469	0	35	-1.0	-42.59	296.74	4.98	-37.61
COC1=CC(C)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=C1	REAL250004671469	1	35	-1.0	-42.58	296.80	4.98	-37.60
COCC1=NOC(C)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671470	0	31	-1.0	-38.81	281.84	2.59	-36.22
COCC1=NOC(C)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671470	1	31	-1.0	-38.78	281.90	2.60	-36.18
COCC1=NOC(C)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671471	0	31	-1.0	-42.57	282.20	2.55	-40.02
COCC1=NOC(C)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671471	1	31	-1.0	-42.56	282.24	2.54	-40.02
CC1=NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1C	REAL250004671472	0	34	-1.0	-43.63	291.57	5.61	-38.02
CC1=NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1C	REAL250004671472	1	34	-1.0	-43.63	291.63	5.62	-38.01
CC1=NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1C	REAL250004671473	0	34	-1.0	-51.45	291.88	5.57	-45.88
CC1=NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1C	REAL250004671473	1	34	-1.0	-51.39	291.93	5.56	-45.83
NC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1CO	REAL250004671474	0	31	-1.0	-43.12	267.24	-0.06	-43.18
NC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1CO	REAL250004671474	1	31	-1.0	-43.11	267.31	-0.05	-43.16
NC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1CO	REAL250004671475	0	31	-1.0	-45.79	267.56	-0.10	-45.89
NC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1CO	REAL250004671475	1	31	-1.0	-45.77	267.61	-0.11	-45.88
COC(=O)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671476	0	31	-1.0	-39.73	278.62	5.14	-34.59
COC(=O)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671476	1	31	-1.0	-39.70	278.69	5.15	-34.55
COC(=O)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671477	0	31	-1.0	-48.72	278.94	5.10	-43.62
COC(=O)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671477	1	31	-1.0	-48.69	278.99	5.09	-43.60
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)O1	REAL250004671478	0	25	-1.0	-40.84	250.53	4.00	-36.84
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)O1	REAL250004671478	1	25	-1.0	-40.84	250.59	4.00	-36.84
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)O1	REAL250004671479	0	25	-1.0	-40.81	250.85	3.95	-36.86
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)O1	REAL250004671479	1	25	-1.0	-40.80	250.90	3.94	-36.86
CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671480	0	32	-1.0	-40.06	275.16	4.71	-35.35
CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671480	1	32	-1.0	-40.04	275.22	4.73	-35.31
CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671481	0	32	-1.0	-44.26	275.47	4.68	-39.58
CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671481	1	32	-1.0	-44.22	275.52	4.67	-39.55
COC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671482	0	31	-1.0	-39.48	278.55	5.14	-34.34
COC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671482	1	31	-1.0	-39.45	278.61	5.15	-34.30
COC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671483	0	31	-1.0	-45.48	278.86	5.10	-40.38
COC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671483	1	31	-1.0	-45.44	278.91	5.09	-40.35
COC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671484	0	29	-1.0	-40.46	264.42	3.98	-36.48
COC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671484	1	29	-1.0	-40.40	264.48	4.00	-36.40
COC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671485	0	29	-1.0	-47.87	264.75	3.95	-43.92
COC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671485	1	29	-1.0	-47.86	264.80	3.94	-43.92
CCCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671486	0	34	-1.0	-38.95	288.24	6.70	-32.25
CCCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671486	1	34	-1.0	-38.93	288.30	6.71	-32.22
CCCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671487	0	34	-1.0	-43.08	288.55	6.67	-36.41
CCCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671487	1	34	-1.0	-43.04	288.60	6.66	-36.38
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(OC)=C1	REAL250004671488	0	33	-1.0	-39.97	287.19	3.40	-36.57
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(OC)=C1	REAL250004671488	1	33	-1.0	-39.94	287.25	3.41	-36.53
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(OC)=C1	REAL250004671489	0	33	-1.0	-45.71	287.56	3.36	-42.35
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(OC)=C1	REAL250004671489	1	33	-1.0	-45.64	287.61	3.37	-42.27
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1F	REAL250004671490	0	25	-1.0	-43.13	247.76	4.84	-38.29
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1F	REAL250004671490	1	25	-1.0	-43.14	247.81	4.85	-38.29
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1F	REAL250004671491	0	25	-1.0	-43.51	248.11	4.79	-38.72
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1F	REAL250004671491	1	25	-1.0	-43.47	248.17	4.79	-38.68
CC(C)(C)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671492	0	37	-1.0	-38.31	300.01	6.80	-31.51
CC(C)(C)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671492	1	37	-1.0	-38.25	300.08	6.81	-31.44
CC(C)(C)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671493	0	37	-1.0	-43.02	300.33	6.77	-36.25
CC(C)(C)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671493	1	37	-1.0	-43.04	300.38	6.76	-36.28
C1=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2S1	REAL250004671494	0	28	-1.0	-39.02	260.72	5.85	-33.17
C1=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2S1	REAL250004671494	1	28	-1.0	-38.97	260.78	5.87	-33.10
C1=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2S1	REAL250004671495	0	28	-1.0	-43.68	261.04	5.82	-37.86
C1=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2S1	REAL250004671495	1	28	-1.0	-43.65	261.09	5.81	-37.84
C1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL250004671496	0	28	-1.0	-39.97	251.03	4.82	-35.15
C1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL250004671496	1	28	-1.0	-39.94	251.09	4.83	-35.11
C1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2O1	REAL250004671497	0	28	-1.0	-45.91	251.34	4.78	-41.13
C1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2O1	REAL250004671497	1	28	-1.0	-45.87	251.40	4.77	-41.10
COC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)O1	REAL250004671498	0	28	-1.0	-42.11	265.93	3.57	-38.54
COC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)O1	REAL250004671498	1	28	-1.0	-42.04	265.99	3.57	-38.47
COC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)O1	REAL250004671499	0	28	-1.0	-42.54	266.25	3.52	-39.02
COC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)O1	REAL250004671499	1	28	-1.0	-42.53	266.30	3.51	-39.02
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C=O	REAL250004671500	0	31	-1.0	-40.33	275.34	3.58	-36.75
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C=O	REAL250004671500	1	31	-1.0	-40.32	275.40	3.59	-36.73
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C=O	REAL250004671501	0	31	-1.0	-49.34	275.66	3.55	-45.79
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C=O	REAL250004671501	1	31	-1.0	-49.31	275.70	3.54	-45.77
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671502	0	24	-1.0	-39.93	235.73	3.14	-36.79
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671502	1	24	-1.0	-39.91	235.79	3.15	-36.76
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671503	0	24	-1.0	-43.13	236.05	3.11	-40.02
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671503	1	24	-1.0	-43.11	236.10	3.10	-40.01
COC1=CC=CC(Cl)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671504	0	29	-1.0	-42.33	273.72	4.48	-37.85
COC1=CC=CC(Cl)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671504	1	29	-1.0	-42.35	273.79	4.49	-37.86
COC1=CC=CC(Cl)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671505	0	29	-1.0	-45.63	274.08	4.44	-41.19
COC1=CC=CC(Cl)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671505	1	29	-1.0	-45.56	274.14	4.43	-41.13
O=CC1=C(F)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671506	0	27	-1.0	-42.48	252.50	4.33	-38.15
O=CC1=C(F)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671506	1	27	-1.0	-42.48	252.55	4.35	-38.13
O=CC1=C(F)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671507	0	27	-1.0	-46.80	252.64	4.17	-42.63
O=CC1=C(F)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671507	1	27	-1.0	-46.74	252.69	4.17	-42.57
FC(F)(F)C1=NC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671508	0	24	-1.0	-45.02	253.19	2.88	-42.14
FC(F)(F)C1=NC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671508	1	24	-1.0	-44.96	253.25	2.88	-42.08
FC(F)(F)C1=NC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671509	0	24	-1.0	-43.24	253.52	2.84	-40.40
FC(F)(F)C1=NC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671509	1	24	-1.0	-43.21	253.57	2.83	-40.38
OCC1=CC(Cl)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671510	0	29	-1.0	-37.05	271.39	2.44	-34.61
OCC1=CC(Cl)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671510	1	29	-1.0	-37.01	271.45	2.45	-34.56
OCC1=CC(Cl)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671511	0	29	-1.0	-42.22	270.77	2.46	-39.76
OCC1=CC(Cl)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671511	1	29	-1.0	-42.23	270.82	2.45	-39.78
CN(C)C1=CC=C(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671512	0	37	-1.0	-40.65	309.74	6.31	-34.34
CN(C)C1=CC=C(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671512	1	37	-1.0	-40.64	309.81	6.31	-34.33
CN(C)C1=CC=C(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671513	0	37	-1.0	-45.64	310.06	6.27	-39.37
CN(C)C1=CC=C(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671513	1	37	-1.0	-45.59	310.11	6.26	-39.33
C1=CC2=C(CCO2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671514	0	30	-1.0	-38.60	262.43	4.36	-34.24
C1=CC2=C(CCO2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671514	1	30	-1.0	-38.53	262.50	4.38	-34.15
C1=CC2=C(CCO2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671515	0	30	-1.0	-42.86	264.68	4.41	-38.45
C1=CC2=C(CCO2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671515	1	30	-1.0	-42.82	264.72	4.41	-38.41
C(=CC1=CC=CC=N1)C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671516	0	28	-1.0	-42.42	256.17	4.41	-38.01
C(=CC1=CC=CC=N1)C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671516	1	28	-1.0	-42.38	256.23	4.41	-37.97
C(=CC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671517	0	28	-1.0	-45.21	256.50	4.36	-40.85
C(=CC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671517	1	28	-1.0	-45.17	256.55	4.36	-40.81
COC1=NSC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671518	0	25	-1.0	-37.33	246.26	0.55	-36.78
COC1=NSC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671518	1	25	-1.0	-37.30	246.33	0.56	-36.74
COC1=NSC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671519	0	25	-1.0	-44.21	246.59	0.53	-43.68
COC1=NSC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671519	1	25	-1.0	-44.20	246.65	0.52	-43.68
C1=CC=C(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL250004671520	0	35	-1.0	-40.43	297.96	7.89	-32.54
C1=CC=C(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL250004671520	1	35	-1.0	-40.35	298.02	7.90	-32.45
C1=CC=C(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL250004671521	0	35	-1.0	-44.53	298.28	7.86	-36.67
C1=CC=C(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL250004671521	1	35	-1.0	-44.55	298.33	7.85	-36.70
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004671522	0	27	-1.0	-36.51	259.56	3.84	-32.67
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004671522	1	27	-1.0	-36.50	259.62	3.85	-32.65
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004671523	0	27	-1.0	-44.52	259.87	3.80	-40.72
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004671523	1	27	-1.0	-44.51	259.92	3.80	-40.71
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671524	0	27	-1.0	-40.24	258.57	3.74	-36.50
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671524	1	27	-1.0	-40.21	258.63	3.75	-36.46
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671525	0	27	-1.0	-43.42	258.88	3.70	-39.72
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671525	1	27	-1.0	-43.41	258.94	3.70	-39.71
CC1=CC(C)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=C1	REAL250004671526	0	34	-1.0	-38.11	284.98	6.23	-31.88
CC1=CC(C)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=C1	REAL250004671526	1	34	-1.0	-38.12	285.04	6.24	-31.88
CC1=CC(C)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=C1	REAL250004671527	0	34	-1.0	-41.97	287.02	6.25	-35.72
CC1=CC(C)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=C1	REAL250004671527	1	34	-1.0	-41.93	287.08	6.25	-35.68
NC(=O)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671528	0	29	-1.0	-43.52	258.36	1.26	-42.26
NC(=O)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671528	1	29	-1.0	-43.49	258.42	1.27	-42.22
NC(=O)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671529	0	29	-1.0	-52.69	258.67	1.23	-51.46
NC(=O)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671529	1	29	-1.0	-52.60	258.72	1.22	-51.38
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671530	0	28	-1.0	-40.30	251.03	1.19	-39.11
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671530	1	28	-1.0	-40.28	251.09	1.20	-39.08
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671531	0	28	-1.0	-44.04	251.35	1.16	-42.88
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671531	1	28	-1.0	-43.99	251.39	1.15	-42.84
N#CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004671532	0	23	-1.0	-39.52	239.27	4.05	-35.47
N#CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004671532	1	23	-1.0	-39.45	239.34	4.05	-35.40
N#CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CS1	REAL250004671533	0	23	-1.0	-48.49	239.69	3.98	-44.51
N#CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CS1	REAL250004671533	1	23	-1.0	-48.48	239.76	3.97	-44.51
ClC1=CSC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671534	0	22	-1.0	-36.64	234.07	4.04	-32.60
ClC1=CSC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671534	1	22	-1.0	-36.61	234.13	4.05	-32.56
ClC1=CSC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671535	0	22	-1.0	-42.94	234.37	3.99	-38.95
ClC1=CSC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671535	1	22	-1.0	-42.90	234.43	3.99	-38.91
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1CCO2	REAL250004671536	0	30	-1.0	-39.08	259.67	4.32	-34.76
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1CCO2	REAL250004671536	1	30	-1.0	-39.06	259.73	4.33	-34.73
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2CCOC2=C1	REAL250004671537	0	30	-1.0	-45.71	259.99	4.29	-41.42
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2CCOC2=C1	REAL250004671537	1	30	-1.0	-45.68	260.04	4.28	-41.40
O=C1NCC2=C1C=CC=C2C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671538	0	30	-1.0	-40.88	269.77	2.03	-38.85
O=C1NCC2=C1C=CC=C2C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671538	1	30	-1.0	-40.87	269.83	2.04	-38.83
O=C1NCC2=C1C=CC=C2C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671539	0	30	-1.0	-46.02	270.11	1.99	-44.03
O=C1NCC2=C1C=CC=C2C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671539	1	30	-1.0	-45.95	270.17	1.99	-43.96
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004671540	0	28	-1.0	-42.20	256.55	5.40	-36.80
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004671540	1	28	-1.0	-42.17	256.61	5.41	-36.76
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004671541	0	28	-1.0	-44.68	256.88	5.33	-39.35
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004671541	1	28	-1.0	-44.62	256.94	5.32	-39.30
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004671542	0	29	-1.0	-38.06	264.52	3.97	-34.09
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004671542	1	29	-1.0	-38.06	264.58	3.98	-34.08
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004671543	0	29	-1.0	-45.18	264.93	3.95	-41.23
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004671543	1	29	-1.0	-45.16	264.98	3.95	-41.21
CCOC1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671544	0	32	-1.0	-37.79	286.00	5.09	-32.70
CCOC1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671544	1	32	-1.0	-37.79	286.07	5.10	-32.69
CCOC1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671545	0	32	-1.0	-43.72	286.35	5.06	-38.66
CCOC1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671545	1	32	-1.0	-43.72	286.41	5.05	-38.67
CCN1N=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C	REAL250004671546	0	34	-1.0	-41.08	295.96	4.46	-36.62
CCN1N=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C	REAL250004671546	1	34	-1.0	-41.08	296.02	4.46	-36.62
CCN1N=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C	REAL250004671547	0	34	-1.0	-44.12	293.42	4.28	-39.84
CCN1N=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C	REAL250004671547	1	34	-1.0	-44.08	293.47	4.27	-39.81
CC1=CC=CC(F)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671548	0	28	-1.0	-41.69	254.74	5.25	-36.44
CC1=CC=CC(F)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671548	1	28	-1.0	-41.68	254.80	5.26	-36.42
CC1=CC=CC(F)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671549	0	28	-1.0	-43.68	253.30	5.11	-38.57
CC1=CC=CC(F)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671549	1	28	-1.0	-43.66	253.35	5.10	-38.56
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671550	0	26	-1.0	-39.58	248.83	3.17	-36.41
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671550	1	26	-1.0	-39.60	248.89	3.18	-36.42
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671551	0	26	-1.0	-42.56	249.14	3.13	-39.43
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671551	1	26	-1.0	-42.53	249.18	3.12	-39.41
COC1=CC=CC(C#N)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671552	0	30	-1.0	-48.43	278.28	4.29	-44.14
COC1=CC=CC(C#N)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671552	1	30	-1.0	-48.42	278.34	4.29	-44.13
COC1=CC=CC(C#N)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671553	0	30	-1.0	-50.37	278.65	4.25	-46.12
COC1=CC=CC(C#N)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671553	1	30	-1.0	-50.30	278.70	4.25	-46.05
NC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671554	0	29	-1.0	-41.47	258.27	1.27	-40.20
NC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671554	1	29	-1.0	-41.43	258.34	1.28	-40.15
NC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671555	0	29	-1.0	-48.97	258.59	1.24	-47.73
NC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671555	1	29	-1.0	-48.97	258.64	1.23	-47.74
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671556	0	29	-1.0	-38.42	259.52	3.85	-34.57
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671556	1	29	-1.0	-38.36	259.58	3.87	-34.49
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671557	0	29	-1.0	-46.02	259.83	3.82	-42.20
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671557	1	29	-1.0	-46.00	259.88	3.81	-42.19
NC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL250004671558	0	27	-1.0	-38.23	253.28	2.95	-35.28
NC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL250004671558	1	27	-1.0	-38.22	253.34	2.96	-35.26
NC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL250004671559	0	27	-1.0	-42.71	253.60	2.92	-39.79
NC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL250004671559	1	27	-1.0	-42.68	253.65	2.91	-39.77
FC1=C(Cl)C=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671560	0	25	-1.0	-42.43	257.64	5.28	-37.15
FC1=C(Cl)C=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671560	1	25	-1.0	-42.41	257.70	5.29	-37.12
FC1=C(Cl)C=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671561	0	25	-1.0	-42.80	257.98	5.23	-37.57
FC1=C(Cl)C=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671561	1	25	-1.0	-42.76	258.04	5.23	-37.53
ClC1=C(Cl)SC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671562	0	22	-1.0	-35.55	250.14	4.79	-30.76
ClC1=C(Cl)SC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671562	1	22	-1.0	-35.56	250.21	4.80	-30.76
ClC1=C(Cl)SC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671563	0	22	-1.0	-39.53	250.45	4.75	-34.78
ClC1=C(Cl)SC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671563	1	22	-1.0	-39.43	250.50	4.74	-34.69
ClC1=CC=C(C2CC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671564	0	32	-1.0	-38.36	290.63	6.97	-31.39
ClC1=CC=C(C2CC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671564	1	32	-1.0	-38.37	290.70	6.98	-31.39
ClC1=CC=C(C2CC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671565	0	32	-1.0	-41.65	290.90	6.92	-34.73
ClC1=CC=C(C2CC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671565	1	32	-1.0	-41.61	290.95	6.92	-34.69
CC1(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL250004671566	0	35	-1.0	-39.03	290.30	6.97	-32.06
CC1(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CC1	REAL250004671566	1	35	-1.0	-39.03	290.36	6.98	-32.05
CC1(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CC1	REAL250004671567	0	35	-1.0	-43.09	290.61	6.93	-36.16
CC1(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CC1	REAL250004671567	1	35	-1.0	-43.05	290.66	6.93	-36.12
OC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671568	0	26	-1.0	-39.34	245.95	1.83	-37.51
OC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671568	1	26	-1.0	-39.33	246.02	1.85	-37.48
OC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671569	0	26	-1.0	-47.12	246.33	1.81	-45.31
OC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671569	1	26	-1.0	-47.08	246.37	1.81	-45.27
NC1=CC=C(Cl)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671570	0	27	-1.0	-38.53	257.01	3.19	-35.34
NC1=CC=C(Cl)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671570	1	27	-1.0	-38.51	257.08	3.20	-35.31
NC1=CC=C(Cl)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671571	0	27	-1.0	-41.24	257.48	3.14	-38.10
NC1=CC=C(Cl)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671571	1	27	-1.0	-41.24	257.51	3.14	-38.10
COC(=O)C1=CC=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671572	0	34	-1.0	-45.15	300.30	5.73	-39.42
COC(=O)C1=CC=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671572	1	34	-1.0	-45.15	300.37	5.74	-39.41
COC(=O)C1=CC=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671573	0	34	-1.0	-45.97	300.63	5.70	-40.27
COC(=O)C1=CC=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671573	1	34	-1.0	-45.96	300.68	5.69	-40.27
O=[N+]([O-])C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004671574	0	26	-1.0	-38.29	248.19	4.40	-33.89
O=[N+]([O-])C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004671574	1	26	-1.0	-38.19	248.26	4.42	-33.77
O=[N+]([O-])C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004671575	0	26	-1.0	-48.56	248.51	4.37	-44.19
O=[N+]([O-])C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004671575	1	26	-1.0	-48.56	248.56	4.36	-44.20
CNC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671576	0	28	-1.0	-40.29	250.91	2.99	-37.30
CNC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671576	1	28	-1.0	-40.27	250.97	3.00	-37.27
CNC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671577	0	28	-1.0	-45.25	251.23	2.96	-42.29
CNC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671577	1	28	-1.0	-45.25	251.28	2.96	-42.29
C1=C(C2=CC=CC=C2)C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)O1	REAL250004671578	0	32	-1.0	-40.82	287.35	6.37	-34.45
C1=C(C2=CC=CC=C2)C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)O1	REAL250004671578	1	32	-1.0	-40.79	287.40	6.37	-34.42
C1=C(C2=CC=CC=C2)C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)O1	REAL250004671579	0	32	-1.0	-43.53	287.66	6.31	-37.22
C1=C(C2=CC=CC=C2)C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)O1	REAL250004671579	1	32	-1.0	-43.50	287.70	6.30	-37.20
ClC1=CC(C2CC2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671580	0	32	-1.0	-40.50	291.82	7.15	-33.35
ClC1=CC(C2CC2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671580	1	32	-1.0	-40.47	291.90	7.16	-33.31
ClC1=CC(C2CC2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671581	0	32	-1.0	-43.15	292.12	7.06	-36.09
ClC1=CC(C2CC2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671581	1	32	-1.0	-43.11	292.17	7.05	-36.06
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)CCC2(C1)OCCO2	REAL250004671582	0	35	-1.0	-40.37	293.29	3.84	-36.53
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)CCC2(C1)OCCO2	REAL250004671582	1	35	-1.0	-40.35	293.35	3.84	-36.51
C1=C(C2=CCC3(CC2)OCCO3)C=NC(C2=N[N-]N=N2)=C1	REAL250004671583	0	35	-1.0	-43.67	293.80	3.83	-39.84
C1=C(C2=CCC3(CC2)OCCO3)C=NC(C2=NN=N[N-]2)=C1	REAL250004671583	1	35	-1.0	-43.64	293.85	3.81	-39.83
CC1=CC=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN=C12	REAL250004671584	0	33	-1.0	-42.34	285.28	5.69	-36.65
CC1=CC=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN=C12	REAL250004671584	1	33	-1.0	-42.34	285.34	5.70	-36.64
CC1=CC=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CN=C12	REAL250004671585	0	33	-1.0	-45.15	285.59	5.66	-39.49
CC1=CC=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CN=C12	REAL250004671585	1	33	-1.0	-45.19	285.64	5.65	-39.54
C=CCCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671586	0	36	-1.0	-38.25	309.50	6.07	-32.18
C=CCCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671586	1	36	-1.0	-38.23	309.56	6.08	-32.15
C=CCCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671587	0	36	-1.0	-44.49	309.81	6.04	-38.45
C=CCCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671587	1	36	-1.0	-44.47	309.87	6.03	-38.44
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C2C=C1	REAL250004671588	0	33	-1.0	-46.90	289.12	5.72	-41.18
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C2C=C1	REAL250004671588	1	33	-1.0	-46.89	289.19	5.73	-41.16
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=NC=CC=C2C=C1	REAL250004671589	0	33	-1.0	-48.21	287.85	5.59	-42.62
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=NC=CC=C2C=C1	REAL250004671589	1	33	-1.0	-48.22	287.92	5.59	-42.63
COC1=NSC(OC)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671590	0	29	-1.0	-40.65	280.01	0.06	-40.59
COC1=NSC(OC)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671590	1	29	-1.0	-40.62	280.07	0.08	-40.54
COC1=NSC(OC)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671591	0	29	-1.0	-44.98	280.36	0.02	-44.96
COC1=NSC(OC)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671591	1	29	-1.0	-44.92	280.41	0.03	-44.89
COC1=CC(CO)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671592	0	33	-1.0	-42.38	290.58	1.42	-40.96
COC1=CC(CO)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671592	1	33	-1.0	-42.33	290.63	1.43	-40.90
COC1=CC(CO)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671593	0	33	-1.0	-46.96	290.95	1.38	-45.58
COC1=CC(CO)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671593	1	33	-1.0	-46.95	290.99	1.38	-45.57
N#CC1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671594	0	30	-1.0	-40.54	275.41	2.32	-38.22
N#CC1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671594	1	30	-1.0	-40.53	275.48	2.33	-38.20
N#CC1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671595	0	30	-1.0	-43.73	275.83	2.29	-41.44
N#CC1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671595	1	30	-1.0	-43.68	275.88	2.28	-41.40
COC1=NC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671596	0	28	-1.0	-39.40	255.37	1.53	-37.87
COC1=NC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671596	1	28	-1.0	-39.33	255.44	1.54	-37.79
COC1=NC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671597	0	28	-1.0	-45.77	255.76	1.49	-44.28
COC1=NC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671597	1	28	-1.0	-45.78	255.81	1.49	-44.29
C1=CC=C(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL250004671598	0	35	-1.0	-39.57	298.03	7.90	-31.67
C1=CC=C(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=C1	REAL250004671598	1	35	-1.0	-39.51	298.09	7.92	-31.59
C1=CC=C(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=C1	REAL250004671599	0	35	-1.0	-45.15	298.35	7.87	-37.28
C1=CC=C(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=C1	REAL250004671599	1	35	-1.0	-45.13	298.40	7.86	-37.27
C1=CC=C([C@@H]2C[C@H]2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671600	0	32	-1.0	-39.60	276.16	6.71	-32.89
C1=CC=C([C@@H]2C[C@H]2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671600	1	32	-1.0	-39.57	276.22	6.71	-32.86
C1=CC=C([C@@H]2C[C@H]2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671601	0	32	-1.0	-43.65	276.50	6.67	-36.98
C1=CC=C([C@@H]2C[C@H]2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671601	1	32	-1.0	-43.66	276.55	6.66	-37.00
C1=NC=C(C2=N[N-]N=N2)C=C1C1=CN=C2OCOC2=C1	REAL250004671602	0	27	-1.0	-40.55	244.91	0.12	-40.43
C1=NC=C(C2=NN=N[N-]2)C=C1C1=CN=C2OCOC2=C1	REAL250004671602	1	27	-1.0	-40.49	244.97	0.13	-40.36
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CN=C2OCOC2=C1	REAL250004671603	0	27	-1.0	-45.53	245.22	0.09	-45.44
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CN=C2OCOC2=C1	REAL250004671603	1	27	-1.0	-45.51	245.27	0.08	-45.43
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C2OC=CC2=C1	REAL250004671604	0	28	-1.0	-42.36	262.34	5.06	-37.30
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C2OC=CC2=C1	REAL250004671604	1	28	-1.0	-42.32	262.41	5.07	-37.25
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C2OC=CC2=C1	REAL250004671605	0	28	-1.0	-44.32	262.65	5.01	-39.31
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C2OC=CC2=C1	REAL250004671605	1	28	-1.0	-44.30	262.70	5.00	-39.30
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(C)C=N1	REAL250004671606	0	30	-1.0	-37.80	261.58	3.90	-33.90
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(C)C=N1	REAL250004671606	1	30	-1.0	-37.77	261.65	3.91	-33.86
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(C)C=N1	REAL250004671607	0	30	-1.0	-41.86	262.95	3.90	-37.96
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(C)C=N1	REAL250004671607	1	30	-1.0	-41.83	263.02	3.89	-37.94
FC1=CC(Cl)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671608	0	25	-1.0	-36.73	255.33	5.17	-31.56
FC1=CC(Cl)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671608	1	25	-1.0	-36.71	255.40	5.19	-31.52
FC1=CC(Cl)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671609	0	25	-1.0	-40.83	255.62	5.09	-35.74
FC1=CC(Cl)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671609	1	25	-1.0	-40.81	255.68	5.08	-35.73
N#CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(F)C=N1	REAL250004671610	0	25	-1.0	-39.15	251.36	3.28	-35.87
N#CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(F)C=N1	REAL250004671610	1	25	-1.0	-39.10	251.43	3.29	-35.81
N#CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(F)C=N1	REAL250004671611	0	25	-1.0	-42.97	251.66	3.24	-39.73
N#CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(F)C=N1	REAL250004671611	1	25	-1.0	-42.98	251.72	3.24	-39.74
C=CCOC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671612	0	32	-1.0	-38.96	283.19	3.49	-35.47
C=CCOC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671612	1	32	-1.0	-38.85	283.25	3.50	-35.35
C=CCOC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671613	0	32	-1.0	-43.82	283.51	3.45	-40.37
C=CCOC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671613	1	32	-1.0	-43.74	283.56	3.45	-40.29
O=C1NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C1=O	REAL250004671614	0	29	-1.0	-41.09	268.70	1.97	-39.12
O=C1NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C1=O	REAL250004671614	1	29	-1.0	-41.01	268.76	1.98	-39.03
O=C1NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C1=O	REAL250004671615	0	29	-1.0	-51.26	269.02	1.93	-49.33
O=C1NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C1=O	REAL250004671615	1	29	-1.0	-51.24	269.07	1.93	-49.31
O=C1NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2C1=O	REAL250004671616	0	29	-1.0	-41.58	268.55	1.98	-39.60
O=C1NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2C1=O	REAL250004671616	1	29	-1.0	-41.55	268.62	1.98	-39.57
O=C1NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2C1=O	REAL250004671617	0	29	-1.0	-47.03	268.79	1.93	-45.10
O=C1NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2C1=O	REAL250004671617	1	29	-1.0	-46.98	268.84	1.92	-45.06
C1=NN(C2=CC=CC=C2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671618	0	32	-1.0	-38.26	281.97	5.22	-33.04
C1=NN(C2=CC=CC=C2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671618	1	32	-1.0	-38.23	282.03	5.22	-33.01
C1=NN(C2=CC=CC=C2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671619	0	32	-1.0	-42.84	282.14	5.26	-37.58
C1=NN(C2=CC=CC=C2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671619	1	32	-1.0	-42.79	282.33	5.26	-37.53
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C2OC=CC2=C1	REAL250004671620	0	28	-1.0	-39.61	264.34	5.13	-34.48
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C2OC=CC2=C1	REAL250004671620	1	28	-1.0	-39.61	264.40	5.14	-34.47
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C2OC=CC2=C1	REAL250004671621	0	28	-1.0	-44.18	264.64	5.10	-39.08
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C2OC=CC2=C1	REAL250004671621	1	28	-1.0	-44.21	264.69	5.09	-39.12
NC1=CC=C(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671622	0	31	-1.0	-40.56	273.79	3.80	-36.76
NC1=CC=C(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671622	1	31	-1.0	-40.58	273.85	3.80	-36.78
NC1=CC=C(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671623	0	31	-1.0	-45.59	274.11	3.75	-41.84
NC1=CC=C(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671623	1	31	-1.0	-45.53	274.16	3.75	-41.78
COC1=CC=C(Cl)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671624	0	29	-1.0	-40.48	272.09	4.35	-36.13
COC1=CC=C(Cl)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671624	1	29	-1.0	-40.47	272.16	4.36	-36.11
COC1=CC=C(Cl)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671625	0	29	-1.0	-43.35	272.43	4.32	-39.03
COC1=CC=C(Cl)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671625	1	29	-1.0	-43.36	272.49	4.31	-39.05
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC2=C1OCO2	REAL250004671626	0	28	-1.0	-39.05	261.18	3.34	-35.71
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC2=C1OCO2	REAL250004671626	1	28	-1.0	-39.04	261.24	3.35	-35.69
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC2=C1OCO2	REAL250004671627	0	28	-1.0	-47.23	261.47	3.31	-43.92
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC2=C1OCO2	REAL250004671627	1	28	-1.0	-47.18	261.53	3.30	-43.88
C1=CC=C(C2CCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671628	0	35	-1.0	-38.55	289.28	6.90	-31.65
C1=CC=C(C2CCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671628	1	35	-1.0	-38.53	289.33	6.91	-31.62
C1=CC=C(C2CCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671629	0	35	-1.0	-42.85	289.74	6.87	-35.98
C1=CC=C(C2CCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671629	1	35	-1.0	-42.77	289.74	6.87	-35.90
CC1=CC(Cl)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004671630	0	31	-1.0	-40.73	281.01	6.26	-34.47
CC1=CC(Cl)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004671630	1	31	-1.0	-40.69	281.08	6.27	-34.42
CC1=CC(Cl)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004671631	0	31	-1.0	-42.58	281.31	6.22	-36.36
CC1=CC(Cl)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004671631	1	31	-1.0	-42.56	281.37	6.21	-36.35
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C2C=COC2=C1	REAL250004671632	0	28	-1.0	-42.50	262.51	5.07	-37.43
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C2C=COC2=C1	REAL250004671632	1	28	-1.0	-42.46	262.56	5.08	-37.38
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C2C=COC2=C1	REAL250004671633	0	28	-1.0	-44.01	262.81	5.01	-39.00
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C2C=COC2=C1	REAL250004671633	1	28	-1.0	-44.03	262.86	5.01	-39.02
NC1=CC=CC(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671634	0	31	-1.0	-39.75	273.83	3.80	-35.95
NC1=CC=CC(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671634	1	31	-1.0	-39.74	273.89	3.80	-35.94
NC1=CC=CC(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671635	0	31	-1.0	-44.91	274.15	3.75	-41.16
NC1=CC=CC(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671635	1	31	-1.0	-44.90	274.20	3.75	-41.15
CC1=NC2=CC=CC=C2C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671636	0	33	-1.0	-38.53	287.89	5.41	-33.12
CC1=NC2=CC=CC=C2C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671636	1	33	-1.0	-38.48	287.95	5.42	-33.06
CC1=NC2=CC=CC=C2C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671637	0	33	-1.0	-43.20	288.27	5.37	-37.83
CC1=NC2=CC=CC=C2C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671637	1	33	-1.0	-43.19	288.31	5.36	-37.83
C1=CC(C2CC2)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)S1	REAL250004671638	0	29	-1.0	-37.92	267.17	5.76	-32.16
C1=CC(C2CC2)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671638	1	29	-1.0	-37.94	267.21	5.76	-32.18
C1=CC(C2CC2)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671639	0	29	-1.0	-42.00	267.46	5.71	-36.29
C1=CC(C2CC2)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671639	1	29	-1.0	-41.97	267.52	5.70	-36.27
C1=NNC=C1C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671640	0	32	-1.0	-42.60	280.91	4.46	-38.14
C1=NNC=C1C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671640	1	32	-1.0	-42.61	280.97	4.47	-38.14
C1=NNC=C1C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671641	0	32	-1.0	-48.10	281.28	4.42	-43.68
C1=NNC=C1C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671641	1	32	-1.0	-48.05	281.22	4.43	-43.62
COC1=CC=C(CO)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671644	0	33	-1.0	-42.26	290.59	1.43	-40.83
COC1=CC=C(CO)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671644	1	33	-1.0	-42.23	290.65	1.44	-40.79
COC1=CC=C(CO)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671645	0	33	-1.0	-46.82	290.94	1.40	-45.42
COC1=CC=C(CO)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671645	1	33	-1.0	-46.75	290.99	1.39	-45.36
COC(=O)C1=CC(F)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671646	0	31	-1.0	-38.41	285.02	5.20	-33.21
COC(=O)C1=CC(F)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671646	1	31	-1.0	-38.42	285.09	5.21	-33.21
COC(=O)C1=CC(F)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671647	0	31	-1.0	-44.88	285.34	5.17	-39.71
COC(=O)C1=CC(F)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671647	1	31	-1.0	-44.82	285.39	5.16	-39.66
CC(=O)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671648	0	30	-1.0	-46.65	264.80	4.97	-41.68
CC(=O)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671648	1	30	-1.0	-46.70	264.85	4.97	-41.73
CC(=O)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671649	0	30	-1.0	-52.36	266.64	4.98	-47.38
CC(=O)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671649	1	30	-1.0	-52.32	266.72	4.97	-47.35
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL250004671650	0	28	-1.0	-37.57	259.28	5.58	-31.99
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL250004671650	1	28	-1.0	-37.52	259.34	5.59	-31.93
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL250004671651	0	28	-1.0	-42.22	259.60	5.54	-36.68
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL250004671651	1	28	-1.0	-42.22	259.65	5.54	-36.68
ClC1=C2OC=CC2=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671652	0	28	-1.0	-39.69	269.76	5.32	-34.37
ClC1=C2OC=CC2=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671652	1	28	-1.0	-39.63	269.82	5.34	-34.29
ClC1=C2OC=CC2=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671653	0	28	-1.0	-46.63	270.13	5.29	-41.34
ClC1=C2OC=CC2=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671653	1	28	-1.0	-46.62	270.20	5.28	-41.34
FC1=CC=C(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671654	0	29	-1.0	-41.94	271.44	6.04	-35.90
FC1=CC=C(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671654	1	29	-1.0	-41.90	271.50	6.04	-35.86
FC1=CC=C(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671655	0	29	-1.0	-45.57	271.76	6.00	-39.57
FC1=CC=C(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671655	1	29	-1.0	-45.57	271.81	5.99	-39.58
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=N1	REAL250004671656	0	30	-1.0	-38.10	262.29	3.90	-34.20
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL250004671656	1	30	-1.0	-38.10	262.36	3.91	-34.19
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=N1	REAL250004671657	0	30	-1.0	-42.97	262.64	3.86	-39.11
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=N1	REAL250004671657	1	30	-1.0	-42.98	262.68	3.85	-39.13
CC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL250004671658	0	27	-1.0	-37.43	254.53	3.76	-33.67
CC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL250004671658	1	27	-1.0	-37.38	254.59	3.77	-33.61
CC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL250004671659	0	27	-1.0	-42.32	254.85	3.72	-38.60
CC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL250004671659	1	27	-1.0	-42.31	254.90	3.72	-38.59
CC(C)N1N=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671660	0	31	-1.0	-37.84	282.62	4.10	-33.74
CC(C)N1N=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671660	1	31	-1.0	-37.82	282.68	4.11	-33.71
CC(C)N1N=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671661	0	31	-1.0	-43.81	283.05	4.05	-39.76
CC(C)N1N=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671661	1	31	-1.0	-43.80	283.10	4.06	-39.74
CN1N=CC(C2CC2)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671662	0	32	-1.0	-36.90	278.32	4.16	-32.74
CN1N=CC(C2CC2)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671662	1	32	-1.0	-36.87	278.37	4.16	-32.71
CN1N=CC(C2CC2)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671663	0	32	-1.0	-41.34	276.47	4.06	-37.28
CN1N=CC(C2CC2)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671663	1	32	-1.0	-41.34	276.52	4.06	-37.28
CC1=CC=CC(CO)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671664	0	32	-1.0	-38.31	275.60	2.55	-35.76
CC1=CC=CC(CO)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671664	1	32	-1.0	-38.32	275.65	2.56	-35.76
CC1=CC=CC(CO)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671665	0	32	-1.0	-42.10	274.24	2.44	-39.66
CC1=CC=CC(CO)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671665	1	32	-1.0	-42.05	274.31	2.43	-39.62
CC1=CC2=NC=CN=C2C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671666	0	32	-1.0	-43.21	281.51	3.50	-39.71
CC1=CC2=NC=CN=C2C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671666	1	32	-1.0	-43.17	281.54	3.51	-39.66
CC1=CC2=NC=CN=C2C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671667	0	32	-1.0	-45.56	281.80	3.48	-42.08
CC1=CC2=NC=CN=C2C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671667	1	32	-1.0	-45.55	281.87	3.46	-42.09
CN1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL250004671668	0	32	-1.0	-39.76	285.43	4.63	-35.13
CN1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL250004671668	1	32	-1.0	-39.73	285.49	4.63	-35.10
CN1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C2CC2)=N1	REAL250004671669	0	32	-1.0	-45.55	285.83	4.59	-40.96
CN1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C2CC2)=N1	REAL250004671669	1	32	-1.0	-45.53	285.88	4.58	-40.95
ClC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C2C=COC2=C1	REAL250004671670	0	28	-1.0	-41.38	269.94	5.39	-35.99
ClC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C2C=COC2=C1	REAL250004671670	1	28	-1.0	-41.34	269.99	5.40	-35.94
ClC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C2C=COC2=C1	REAL250004671671	0	28	-1.0	-43.52	270.23	5.36	-38.16
ClC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C2C=COC2=C1	REAL250004671671	1	28	-1.0	-43.46	270.28	5.35	-38.11
COC(=O)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(C)C=N1	REAL250004671672	0	33	-1.0	-38.92	297.97	4.06	-34.86
COC(=O)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(C)C=N1	REAL250004671672	1	33	-1.0	-43.07	298.12	4.02	-39.05
COC(=O)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(C)C=N1	REAL250004671673	0	33	-1.0	-44.67	297.08	3.90	-40.77
COC(=O)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(C)C=N1	REAL250004671673	1	33	-1.0	-44.67	297.11	3.89	-40.78
COC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL250004671674	0	26	-1.0	-39.34	251.75	3.19	-36.15
COC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL250004671674	1	26	-1.0	-39.33	251.82	3.20	-36.13
COC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CS1	REAL250004671675	0	26	-1.0	-44.61	251.98	3.15	-41.46
COC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CS1	REAL250004671675	1	26	-1.0	-44.61	252.05	3.14	-41.47
OCC1=CC(F)=C(F)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671676	0	29	-1.0	-37.69	267.36	2.05	-35.64
OCC1=CC(F)=C(F)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671676	1	29	-1.0	-37.67	267.44	2.06	-35.61
OCC1=CC(F)=C(F)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671677	0	29	-1.0	-41.20	267.72	2.02	-39.18
OCC1=CC(F)=C(F)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671677	1	29	-1.0	-41.18	267.78	2.01	-39.17
O=CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671678	0	27	-1.0	-42.59	247.10	4.20	-38.39
O=CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671678	1	27	-1.0	-42.57	247.16	4.21	-38.36
O=CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671679	0	27	-1.0	-50.63	247.42	4.16	-46.47
O=CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671679	1	27	-1.0	-50.63	247.47	4.16	-46.47
NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671680	0	27	-1.0	-42.47	244.34	2.46	-40.01
NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671680	1	27	-1.0	-42.40	244.40	2.47	-39.93
NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671681	0	27	-1.0	-45.41	244.66	2.43	-42.98
NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671681	1	27	-1.0	-45.40	244.70	2.42	-42.98
CC(C)(C)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671682	0	36	-1.0	-41.08	298.09	5.31	-35.77
CC(C)(C)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671682	1	36	-1.0	-41.02	298.16	5.32	-35.70
CC(C)(C)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671683	0	36	-1.0	-43.55	298.40	5.27	-38.28
CC(C)(C)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671683	1	36	-1.0	-43.55	298.45	5.26	-38.29
N#CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C1CC1	REAL250004671684	0	33	-1.0	-38.54	291.78	6.81	-31.73
N#CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C1CC1	REAL250004671684	1	33	-1.0	-38.52	291.85	6.82	-31.70
N#CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C1CC1	REAL250004671685	0	33	-1.0	-44.32	292.10	6.78	-37.54
N#CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C1CC1	REAL250004671685	1	33	-1.0	-44.30	292.15	6.77	-37.53
CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1CO	REAL250004671686	0	32	-1.0	-39.46	272.22	2.56	-36.90
CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1CO	REAL250004671686	1	32	-1.0	-39.46	272.27	2.57	-36.89
CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1CO	REAL250004671687	0	32	-1.0	-45.54	274.97	2.28	-43.26
CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1CO	REAL250004671687	1	32	-1.0	-45.55	275.00	2.27	-43.28
OCC1=C(Cl)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671688	0	29	-1.0	-39.91	270.79	2.45	-37.46
OCC1=C(Cl)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671688	1	29	-1.0	-39.85	270.83	2.45	-37.40
OCC1=C(Cl)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671689	0	29	-1.0	-42.62	270.93	2.41	-40.21
OCC1=C(Cl)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671689	1	29	-1.0	-42.67	270.99	2.40	-40.27
CC1=CC(F)=CC(CO)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671690	0	32	-1.0	-37.08	280.22	2.53	-34.55
CC1=CC(F)=CC(CO)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671690	1	32	-1.0	-37.05	280.30	2.54	-34.51
CC1=CC(F)=CC(CO)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671691	0	32	-1.0	-41.74	279.62	2.55	-39.19
CC1=CC(F)=CC(CO)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671691	1	32	-1.0	-41.70	279.65	2.54	-39.16
ClC1=CC(Cl)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671692	0	25	-1.0	-36.37	257.31	5.51	-30.86
ClC1=CC(Cl)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671692	1	25	-1.0	-36.35	257.37	5.52	-30.83
ClC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(Cl)=C1	REAL250004671693	0	25	-1.0	-40.97	257.63	5.48	-35.49
ClC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(Cl)=C1	REAL250004671693	1	25	-1.0	-40.98	257.68	5.47	-35.51
C1=CN(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)N=C1	REAL250004671694	0	32	-1.0	-41.95	282.24	5.69	-36.26
C1=CN(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)N=C1	REAL250004671694	1	32	-1.0	-41.93	282.18	5.68	-36.25
C1=CN(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)N=C1	REAL250004671695	0	32	-1.0	-50.62	282.61	5.64	-44.98
C1=CN(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)N=C1	REAL250004671695	1	32	-1.0	-50.66	282.55	5.64	-45.02
C1=CN(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)N=C1	REAL250004671696	0	32	-1.0	-40.92	282.18	5.71	-35.21
C1=CN(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)N=C1	REAL250004671696	1	32	-1.0	-40.95	282.12	5.70	-35.25
C1=CN(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)N=C1	REAL250004671697	0	32	-1.0	-47.91	282.49	5.65	-42.26
C1=CN(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)N=C1	REAL250004671697	1	32	-1.0	-47.93	282.44	5.66	-42.27
C1=NN=NN1C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671698	0	30	-1.0	-44.75	272.22	4.66	-40.09
C1=NN=NN1C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671698	1	30	-1.0	-44.77	272.16	4.65	-40.12
C1=NN=NN1C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671699	0	30	-1.0	-54.84	272.53	4.61	-50.23
C1=NN=NN1C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671699	1	30	-1.0	-54.82	272.48	4.62	-50.20
OCC1=CC=CC(F)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671700	0	29	-1.0	-40.80	263.38	2.05	-38.75
OCC1=CC=CC(F)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671700	1	29	-1.0	-40.77	263.44	2.07	-38.70
OCC1=CC=CC(F)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671701	0	29	-1.0	-42.97	263.64	2.00	-40.97
OCC1=CC=CC(F)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671701	1	29	-1.0	-42.92	263.71	2.01	-40.91
CC(C)(O)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671702	0	35	-1.0	-40.17	286.57	3.36	-36.81
CC(C)(O)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671702	1	35	-1.0	-40.13	286.64	3.38	-36.75
CC(C)(O)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671703	0	35	-1.0	-45.74	287.55	3.37	-42.37
CC(C)(O)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671703	1	35	-1.0	-45.70	287.60	3.36	-42.34
C1=NN(C2CC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671704	0	29	-1.0	-37.84	256.47	3.66	-34.18
C1=NN(C2CC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671704	1	29	-1.0	-37.78	256.52	3.66	-34.12
C1=NN(C2CC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671705	0	29	-1.0	-42.27	256.79	3.60	-38.67
C1=NN(C2CC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671705	1	29	-1.0	-42.21	256.86	3.59	-38.62
CCN1N=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL250004671706	0	28	-1.0	-38.12	262.10	3.39	-34.73
CCN1N=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL250004671706	1	28	-1.0	-38.05	262.17	3.40	-34.65
CCN1N=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL250004671707	0	28	-1.0	-44.01	262.53	3.36	-40.65
CCN1N=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL250004671707	1	28	-1.0	-43.99	262.58	3.37	-40.62
OCC1=CC=C(Cl)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671708	0	29	-1.0	-37.95	271.38	2.45	-35.50
OCC1=CC=C(Cl)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671708	1	29	-1.0	-37.97	271.43	2.46	-35.51
OCC1=CC=C(Cl)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671709	0	29	-1.0	-42.55	270.78	2.46	-40.09
OCC1=CC=C(Cl)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671709	1	29	-1.0	-42.56	270.83	2.45	-40.11
OCC1=C(F)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671710	0	29	-1.0	-40.81	261.94	2.05	-38.76
OCC1=C(F)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671710	1	29	-1.0	-40.82	262.03	2.05	-38.77
OCC1=C(F)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671711	0	29	-1.0	-42.97	262.39	1.98	-40.99
OCC1=C(F)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671711	1	29	-1.0	-42.96	262.45	1.98	-40.98
CC(C)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671712	0	35	-1.0	-43.01	299.28	5.40	-37.61
CC(C)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671712	1	35	-1.0	-42.97	299.34	5.41	-37.56
CC(C)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671713	0	35	-1.0	-45.76	299.59	5.37	-40.39
CC(C)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671713	1	35	-1.0	-45.74	299.64	5.37	-40.37
CN(C)C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671714	0	31	-1.0	-40.39	269.80	5.08	-35.31
CN(C)C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671714	1	31	-1.0	-40.38	269.87	5.10	-35.28
CN(C)C1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671715	0	31	-1.0	-45.78	271.10	4.90	-40.88
CN(C)C1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671715	1	31	-1.0	-45.82	271.14	4.89	-40.93
OC1=CC=C(C=CC2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671716	0	30	-1.0	-40.67	269.75	3.07	-37.60
OC1=CC=C(C=CC2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671716	1	30	-1.0	-40.66	269.81	3.08	-37.58
OC1=CC=C(C=CC2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671717	0	30	-1.0	-45.93	270.07	3.03	-42.90
OC1=CC=C(C=CC2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671717	1	30	-1.0	-45.84	270.12	3.02	-42.82
CCN(CC)C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671718	0	37	-1.0	-40.56	313.88	6.94	-33.62
CCN(CC)C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671718	1	37	-1.0	-40.57	313.94	6.95	-33.62
CCN(CC)C1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671719	0	37	-1.0	-45.40	314.19	6.91	-38.49
CCN(CC)C1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671719	1	37	-1.0	-45.39	314.23	6.90	-38.49
NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CO)=C1	REAL250004671720	0	31	-1.0	-39.87	269.70	-0.20	-40.07
NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CO)=C1	REAL250004671720	1	31	-1.0	-39.84	269.77	-0.19	-40.03
NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CO)=C1	REAL250004671721	0	31	-1.0	-44.87	269.07	-0.19	-45.06
NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CO)=C1	REAL250004671721	1	31	-1.0	-44.87	269.12	-0.19	-45.06
CNC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004671722	0	29	-1.0	-39.00	254.06	2.39	-36.61
CNC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004671722	1	29	-1.0	-38.98	254.12	2.40	-36.58
CNC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004671723	0	29	-1.0	-43.79	254.38	2.35	-41.44
CNC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004671723	1	29	-1.0	-43.77	254.43	2.35	-41.42
COC1=C(O)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671724	0	30	-1.0	-42.24	273.47	2.04	-40.20
COC1=C(O)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671724	1	30	-1.0	-42.17	273.53	2.05	-40.12
COC1=C(O)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671725	0	30	-1.0	-44.93	272.81	1.96	-42.97
COC1=C(O)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671725	1	30	-1.0	-44.92	272.88	1.95	-42.97
C1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)COCC2	REAL250004671726	0	33	-1.0	-39.84	277.59	4.57	-35.27
C1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)COCC2	REAL250004671726	1	33	-1.0	-39.81	277.65	4.58	-35.23
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2CCOCC2=C1	REAL250004671727	0	33	-1.0	-44.41	277.90	4.54	-39.87
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2CCOCC2=C1	REAL250004671727	1	33	-1.0	-44.43	277.96	4.53	-39.90
CN1N=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL250004671728	0	28	-1.0	-37.45	263.12	3.01	-34.44
CN1N=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL250004671728	1	28	-1.0	-37.41	263.19	3.02	-34.39
CN1N=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C(F)(F)F	REAL250004671729	0	28	-1.0	-43.84	263.46	2.97	-40.87
CN1N=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C(F)(F)F	REAL250004671729	1	28	-1.0	-43.82	263.52	2.96	-40.86
CC1(C)CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL250004671730	0	36	-1.0	-41.01	307.47	5.97	-35.04
CC1(C)CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL250004671730	1	36	-1.0	-40.97	307.53	5.98	-34.99
CC1(C)CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2O1	REAL250004671731	0	36	-1.0	-46.84	307.77	5.94	-40.90
CC1(C)CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2O1	REAL250004671731	1	36	-1.0	-46.82	307.82	5.94	-40.88
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CO1	REAL250004671732	0	25	-1.0	-36.71	249.80	3.88	-32.83
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CO1	REAL250004671732	1	25	-1.0	-36.66	249.86	3.89	-32.77
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CO1	REAL250004671733	0	25	-1.0	-44.42	250.12	3.84	-40.58
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CO1	REAL250004671733	1	25	-1.0	-44.38	250.16	3.84	-40.54
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=C1F	REAL250004671734	0	32	-1.0	-38.25	280.14	4.41	-33.84
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=C1F	REAL250004671734	1	32	-1.0	-38.24	280.19	4.43	-33.81
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=C1F	REAL250004671735	0	32	-1.0	-43.60	281.89	4.50	-39.10
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=C1F	REAL250004671735	1	32	-1.0	-43.60	281.93	4.50	-39.10
ClC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671736	0	25	-1.0	-36.75	240.58	5.00	-31.75
ClC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671736	1	25	-1.0	-36.77	240.65	5.01	-31.76
ClC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671737	0	25	-1.0	-43.36	240.90	4.97	-38.39
ClC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671737	1	25	-1.0	-43.35	240.95	4.96	-38.39
CN(C)C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671738	0	31	-1.0	-40.39	269.80	5.08	-35.31
CN(C)C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671738	1	31	-1.0	-40.38	269.87	5.10	-35.28
CN(C)C1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671739	0	31	-1.0	-45.78	271.10	4.90	-40.88
CN(C)C1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671739	1	31	-1.0	-45.82	271.14	4.89	-40.93
ClC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(Cl)S1	REAL250004671740	0	22	-1.0	-36.53	251.70	4.80	-31.73
ClC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(Cl)S1	REAL250004671740	1	22	-1.0	-36.51	251.77	4.81	-31.70
ClC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(Cl)S1	REAL250004671741	0	22	-1.0	-39.65	252.04	4.77	-34.88
ClC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(Cl)S1	REAL250004671741	1	22	-1.0	-39.59	252.09	4.76	-34.83
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1N	REAL250004671742	0	30	-1.0	-40.76	256.68	3.13	-37.63
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1N	REAL250004671742	1	30	-1.0	-40.71	256.74	3.14	-37.57
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1N	REAL250004671743	0	30	-1.0	-45.20	256.99	3.09	-42.11
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1N	REAL250004671743	1	30	-1.0	-45.21	257.04	3.09	-42.12
FC1=C2SC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL250004671744	0	28	-1.0	-44.28	270.27	6.19	-38.09
FC1=C2SC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL250004671744	1	28	-1.0	-44.25	270.34	6.19	-38.06
FC1=C2SC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=CC=C1	REAL250004671745	0	28	-1.0	-43.97	270.59	6.14	-37.83
FC1=C2SC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=CC=C1	REAL250004671745	1	28	-1.0	-43.93	270.63	6.13	-37.80
CC1=CC=C2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)SC2=C1	REAL250004671746	0	31	-1.0	-41.47	285.25	6.77	-34.70
CC1=CC=C2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)SC2=C1	REAL250004671746	1	31	-1.0	-41.44	285.31	6.77	-34.67
CC1=CC=C2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)SC2=C1	REAL250004671747	0	31	-1.0	-42.83	285.57	6.73	-36.10
CC1=CC=C2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)SC2=C1	REAL250004671747	1	31	-1.0	-42.79	285.61	6.72	-36.07
N#CC1=CSC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671748	0	23	-1.0	-38.19	237.67	4.08	-34.11
N#CC1=CSC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671748	1	23	-1.0	-38.17	237.73	4.09	-34.08
N#CC1=CSC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671749	0	23	-1.0	-44.78	237.98	4.04	-40.74
N#CC1=CSC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671749	1	23	-1.0	-44.73	238.02	4.04	-40.69
O=[N+]([O-])C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671750	0	27	-1.0	-43.93	252.11	5.01	-38.92
O=[N+]([O-])C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671750	1	27	-1.0	-43.93	252.16	5.02	-38.91
O=[N+]([O-])C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671751	0	27	-1.0	-51.89	255.85	5.17	-46.72
O=[N+]([O-])C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671751	1	27	-1.0	-51.83	255.90	5.17	-46.66
CCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671752	0	31	-1.0	-38.68	266.74	5.91	-32.77
CCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671752	1	31	-1.0	-38.61	266.81	5.92	-32.69
CCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671753	0	31	-1.0	-43.16	267.06	5.88	-37.28
CCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671753	1	31	-1.0	-43.15	267.11	5.87	-37.28
N#CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)SC=C1	REAL250004671754	0	23	-1.0	-45.28	239.36	4.06	-41.22
N#CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)SC=C1	REAL250004671754	1	23	-1.0	-45.21	239.42	4.06	-41.15
N#CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)SC=C1	REAL250004671755	0	23	-1.0	-44.95	239.68	4.00	-40.95
N#CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)SC=C1	REAL250004671755	1	23	-1.0	-44.97	239.73	4.00	-40.97
CCN(CC)C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671756	0	37	-1.0	-40.56	313.88	6.94	-33.62
CCN(CC)C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671756	1	37	-1.0	-40.57	313.94	6.95	-33.62
CCN(CC)C1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671757	0	37	-1.0	-45.40	314.19	6.91	-38.49
CCN(CC)C1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671757	1	37	-1.0	-45.39	314.23	6.90	-38.49
CC(C)N1C=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004671758	0	31	-1.0	-45.49	271.65	3.80	-41.69
CC(C)N1C=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004671758	1	31	-1.0	-45.44	271.71	3.81	-41.63
CC(C)N1C=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=N1	REAL250004671759	0	31	-1.0	-45.27	271.98	3.75	-41.52
CC(C)N1C=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=N1	REAL250004671759	1	31	-1.0	-45.24	272.04	3.75	-41.49
C1=NN(C2CCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671760	0	32	-1.0	-37.56	272.31	4.22	-33.34
C1=NN(C2CCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671760	1	32	-1.0	-37.50	272.37	4.22	-33.28
C1=NN(C2CCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671761	0	32	-1.0	-41.51	272.63	4.16	-37.35
C1=NN(C2CCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671761	1	32	-1.0	-41.46	272.68	4.16	-37.30
CCN1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL250004671762	0	35	-1.0	-39.66	306.97	5.52	-34.14
CCN1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL250004671762	1	35	-1.0	-39.61	307.03	5.52	-34.09
CCN1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C2CC2)=N1	REAL250004671763	0	35	-1.0	-45.33	307.35	5.48	-39.85
CCN1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C2CC2)=N1	REAL250004671763	1	35	-1.0	-45.29	307.42	5.47	-39.82
CC(F)(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671764	0	31	-1.0	-38.06	277.05	6.01	-32.05
CC(F)(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671764	1	31	-1.0	-38.07	277.11	6.02	-32.05
CC(F)(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671765	0	31	-1.0	-44.60	277.36	5.98	-38.62
CC(F)(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671765	1	31	-1.0	-44.55	277.42	5.97	-38.58
CC(F)(F)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671766	0	31	-1.0	-42.70	271.69	5.73	-36.97
CC(F)(F)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671766	1	31	-1.0	-42.74	271.75	5.74	-37.00
CC(F)(F)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671767	0	31	-1.0	-48.74	271.97	5.68	-43.06
CC(F)(F)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671767	1	31	-1.0	-48.73	272.04	5.67	-43.06
CN1N=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C#N	REAL250004671768	0	26	-1.0	-38.34	252.89	2.65	-35.69
CN1N=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C#N	REAL250004671768	1	26	-1.0	-38.31	252.95	2.66	-35.65
CN1N=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C#N	REAL250004671769	0	26	-1.0	-46.22	253.23	2.61	-43.61
CN1N=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C#N	REAL250004671769	1	26	-1.0	-46.18	253.27	2.60	-43.58
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL250004671770	0	32	-1.0	-39.37	273.35	4.52	-34.85
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL250004671770	1	32	-1.0	-39.38	273.41	4.53	-34.85
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C	REAL250004671771	0	32	-1.0	-44.33	273.67	4.49	-39.84
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C	REAL250004671771	1	32	-1.0	-44.32	273.71	4.48	-39.84
C1=CN(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)N=C1	REAL250004671772	0	32	-1.0	-40.92	282.18	5.71	-35.21
C1=CN(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)N=C1	REAL250004671772	1	32	-1.0	-40.95	282.12	5.70	-35.25
C1=CN(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)N=C1	REAL250004671773	0	32	-1.0	-47.91	282.49	5.65	-42.26
C1=CN(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)N=C1	REAL250004671773	1	32	-1.0	-47.93	282.44	5.66	-42.27
FC(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671774	0	28	-1.0	-39.43	256.00	5.35	-34.08
FC(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671774	1	28	-1.0	-39.41	256.06	5.36	-34.05
FC(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671775	0	28	-1.0	-43.92	256.31	5.32	-38.60
FC(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671775	1	28	-1.0	-43.90	256.36	5.31	-38.59
FC(F)C1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671776	0	28	-1.0	-42.36	254.74	5.19	-37.17
FC(F)C1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671776	1	28	-1.0	-42.37	254.83	5.20	-37.17
FC(F)C1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671777	0	28	-1.0	-45.44	254.57	5.10	-40.34
FC(F)C1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671777	1	28	-1.0	-45.40	254.63	5.11	-40.29
FC(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671778	0	28	-1.0	-40.20	258.01	5.41	-34.79
FC(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671778	1	28	-1.0	-40.19	258.07	5.42	-34.77
FC(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671779	0	28	-1.0	-47.53	258.33	5.38	-42.15
FC(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671779	1	28	-1.0	-47.50	258.38	5.37	-42.13
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C2=CC=CC=N2)=NN1	REAL250004671780	0	31	-1.0	-43.36	282.96	3.27	-40.09
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C2=CC=CC=N2)=NN1	REAL250004671780	1	31	-1.0	-43.32	283.01	3.28	-40.04
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C2=CC=CC=N2)=NN1	REAL250004671781	0	31	-1.0	-49.71	283.28	3.22	-46.49
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C2=CC=CC=N2)=NN1	REAL250004671781	1	31	-1.0	-49.73	283.32	3.21	-46.52
CC1=CC(=O)NC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671782	0	28	-1.0	-40.88	253.12	2.11	-38.77
CC1=CC(=O)NC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671782	1	28	-1.0	-40.83	253.19	2.12	-38.71
CC1=CC(=O)NC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671783	0	28	-1.0	-46.98	252.53	2.01	-44.97
CC1=CC(=O)NC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671783	1	28	-1.0	-46.98	252.58	2.01	-44.97
FC(F)N1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671784	0	25	-1.0	-42.68	242.39	2.51	-40.17
FC(F)N1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671784	1	25	-1.0	-42.61	242.45	2.52	-40.09
FC(F)N1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671785	0	25	-1.0	-47.10	242.70	2.47	-44.63
FC(F)N1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671785	1	25	-1.0	-47.07	242.75	2.47	-44.60
C1=CC2=NC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C=C1	REAL250004671786	0	30	-1.0	-38.41	266.31	4.80	-33.61
C1=CC2=NC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C=C1	REAL250004671786	1	30	-1.0	-38.39	266.38	4.81	-33.58
C1=CC2=NC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C=C1	REAL250004671787	0	30	-1.0	-43.32	266.69	4.76	-38.56
C1=CC2=NC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C=C1	REAL250004671787	1	30	-1.0	-43.33	266.73	4.75	-38.58
CN1CCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL250004671788	0	34	-1.0	-39.92	282.82	4.30	-35.62
CN1CCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL250004671788	1	34	-1.0	-39.87	282.88	4.31	-35.56
CN1CCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C21	REAL250004671789	0	34	-1.0	-43.90	284.95	4.30	-39.60
CN1CCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C21	REAL250004671789	1	34	-1.0	-43.94	285.00	4.29	-39.65
C1=NN2CCCCC2=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671790	0	32	-1.0	-41.53	271.61	4.03	-37.50
C1=NN2CCCCC2=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671790	1	32	-1.0	-41.52	271.68	4.04	-37.48
C1=NN2CCCCC2=C1C1=CN=C(C2=N[N-]N=N2)C=C1	REAL250004671791	0	32	-1.0	-44.50	271.98	3.98	-40.52
C1=NN2CCCCC2=C1C1=CN=C(C2=NN=N[N-]2)C=C1	REAL250004671791	1	32	-1.0	-44.49	272.04	3.98	-40.51
O=C1NCC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL250004671792	0	30	-1.0	-43.90	266.04	1.97	-41.93
O=C1NCC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL250004671792	1	30	-1.0	-43.86	266.10	1.98	-41.88
O=C1NCC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL250004671793	0	30	-1.0	-53.98	266.36	1.93	-52.05
O=C1NCC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL250004671793	1	30	-1.0	-53.95	266.41	1.93	-52.02
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC2=C1CCO2	REAL250004671794	0	30	-1.0	-39.08	259.67	4.32	-34.76
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC2=C1CCO2	REAL250004671794	1	30	-1.0	-39.06	259.73	4.33	-34.73
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2CCOC2=C1	REAL250004671795	0	30	-1.0	-45.71	259.99	4.29	-41.42
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2CCOC2=C1	REAL250004671795	1	30	-1.0	-45.68	260.04	4.28	-41.40
CC(C)C1=CC=C(O)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671796	0	35	-1.0	-38.74	298.41	3.97	-34.77
CC(C)C1=CC=C(O)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671796	1	35	-1.0	-38.73	298.46	3.98	-34.75
CC(C)C1=CC=C(O)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671797	0	35	-1.0	-44.63	298.72	3.92	-40.71
CC(C)C1=CC=C(O)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671797	1	35	-1.0	-44.61	298.78	3.92	-40.69
COC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL250004671798	0	31	-1.0	-42.32	281.52	4.45	-37.87
COC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL250004671798	1	31	-1.0	-42.28	281.58	4.46	-37.82
COC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC([N+](=O)[O-])=C1	REAL250004671799	0	31	-1.0	-43.57	281.83	4.42	-39.15
COC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC([N+](=O)[O-])=C1	REAL250004671799	1	31	-1.0	-43.51	281.88	4.41	-39.10
CCN1C=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C)=N1	REAL250004671800	0	31	-1.0	-39.60	272.79	3.83	-35.77
CCN1C=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL250004671800	1	31	-1.0	-39.59	272.86	3.84	-35.75
CCN1C=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C)=N1	REAL250004671801	0	31	-1.0	-45.38	275.64	3.89	-41.49
CCN1C=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C)=N1	REAL250004671801	1	31	-1.0	-45.36	275.71	3.89	-41.47
CC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC2=CC=CC=C21	REAL250004671802	0	34	-1.0	-39.59	287.93	7.22	-32.37
CC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC2=CC=CC=C21	REAL250004671802	1	34	-1.0	-39.56	287.99	7.23	-32.33
CC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC2=CC=CC=C21	REAL250004671803	0	34	-1.0	-43.28	290.08	7.31	-35.97
CC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC2=CC=CC=C21	REAL250004671803	1	34	-1.0	-43.28	290.14	7.31	-35.97
C1=CC2=C(CCOC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671804	0	33	-1.0	-40.34	278.83	4.58	-35.76
C1=CC2=C(CCOC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671804	1	33	-1.0	-40.28	278.90	4.59	-35.69
C1=CC2=C(CCOC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671805	0	33	-1.0	-42.84	279.10	4.54	-38.30
C1=CC2=C(CCOC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671805	1	33	-1.0	-42.79	279.15	4.53	-38.26
CC(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671806	0	31	-1.0	-38.99	271.73	5.93	-33.06
CC(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671806	1	31	-1.0	-38.98	271.79	5.94	-33.04
CC(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671807	0	31	-1.0	-43.53	272.01	5.90	-37.63
CC(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671807	1	31	-1.0	-43.57	272.06	5.89	-37.68
CC1=CC=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C12	REAL250004671808	0	33	-1.0	-42.11	282.88	5.42	-36.69
CC1=CC=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C12	REAL250004671808	1	33	-1.0	-42.08	282.94	5.43	-36.65
CC1=CC=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C12	REAL250004671809	0	33	-1.0	-45.63	283.20	5.38	-40.25
CC1=CC=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C12	REAL250004671809	1	33	-1.0	-45.55	283.25	5.38	-40.17
O=C1OCCC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL250004671810	0	32	-1.0	-42.78	279.61	5.42	-37.36
O=C1OCCC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL250004671810	1	32	-1.0	-42.72	279.67	5.43	-37.29
O=C1OCCC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL250004671811	0	32	-1.0	-52.84	279.96	5.38	-47.46
O=C1OCCC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL250004671811	1	32	-1.0	-52.84	280.01	5.38	-47.46
C1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)COCCN2	REAL250004671812	0	35	-1.0	-40.27	290.71	2.88	-37.39
C1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)COCCN2	REAL250004671812	1	35	-1.0	-40.25	290.77	2.90	-37.35
C1=CC(C2=N[N-]N=N2)=NC=C1C1=CC=C2NCCOCC2=C1	REAL250004671813	0	35	-1.0	-45.18	291.00	2.85	-42.33
C1=CC(C2=NN=N[N-]2)=NC=C1C1=CC=C2NCCOCC2=C1	REAL250004671813	1	35	-1.0	-45.15	291.04	2.84	-42.31
ClC1=CC=C2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)OC2=C1	REAL250004671814	0	28	-1.0	-41.79	272.89	5.69	-36.10
ClC1=CC=C2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)OC2=C1	REAL250004671814	1	28	-1.0	-41.70	272.95	5.69	-36.01
ClC1=CC=C2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)OC2=C1	REAL250004671815	0	28	-1.0	-41.63	273.21	5.63	-36.00
ClC1=CC=C2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)OC2=C1	REAL250004671815	1	28	-1.0	-41.55	273.26	5.63	-35.92
ClC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671818	0	25	-1.0	-41.00	242.66	5.05	-35.95
ClC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671818	1	25	-1.0	-41.00	242.72	5.06	-35.94
ClC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671819	0	25	-1.0	-43.97	242.94	4.97	-39.00
ClC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671819	1	25	-1.0	-43.98	243.00	4.96	-39.02
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671820	0	25	-1.0	-37.63	240.58	5.00	-32.63
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671820	1	25	-1.0	-37.60	240.64	5.01	-32.59
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671821	0	25	-1.0	-42.31	240.89	4.97	-37.34
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671821	1	25	-1.0	-42.31	240.95	4.96	-37.35
FC1=C2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)SC2=CC=C1	REAL250004671822	0	28	-1.0	-39.64	270.28	6.16	-33.48
FC1=C2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)SC2=CC=C1	REAL250004671822	1	28	-1.0	-39.57	270.34	6.16	-33.41
FC1=C2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)SC2=CC=C1	REAL250004671823	0	28	-1.0	-43.55	270.59	6.12	-37.43
FC1=C2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)SC2=CC=C1	REAL250004671823	1	28	-1.0	-43.52	270.64	6.11	-37.41
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)SC2=CC=CN=C12	REAL250004671824	0	27	-1.0	-40.60	258.48	4.21	-36.39
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)SC2=CC=CN=C12	REAL250004671824	1	27	-1.0	-40.59	258.54	4.21	-36.38
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)SC2=CC=CN=C12	REAL250004671825	0	27	-1.0	-44.69	258.79	4.16	-40.53
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)SC2=CC=CN=C12	REAL250004671825	1	27	-1.0	-44.66	258.84	4.16	-40.50
C1=NC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC=C2O1	REAL250004671826	0	27	-1.0	-42.83	252.25	1.64	-41.19
C1=NC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC=C2O1	REAL250004671826	1	27	-1.0	-42.82	252.31	1.65	-41.17
C1=NC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC=C2O1	REAL250004671827	0	27	-1.0	-49.62	252.55	1.61	-48.01
C1=NC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC=C2O1	REAL250004671827	1	27	-1.0	-49.62	252.61	1.60	-48.02
C1=CC2=NSN=C2C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671828	0	26	-1.0	-40.12	255.33	3.10	-37.02
C1=CC2=NSN=C2C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671828	1	26	-1.0	-40.12	255.39	3.10	-37.02
C1=CC2=NSN=C2C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671829	0	26	-1.0	-48.26	255.64	3.06	-45.20
C1=CC2=NSN=C2C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671829	1	26	-1.0	-48.21	255.69	3.05	-45.16
O=C1NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2O1	REAL250004671830	0	28	-1.0	-40.71	255.63	1.98	-38.73
O=C1NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2O1	REAL250004671830	1	28	-1.0	-40.67	255.69	1.99	-38.68
O=C1NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2O1	REAL250004671831	0	28	-1.0	-47.26	255.94	1.94	-45.32
O=C1NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2O1	REAL250004671831	1	28	-1.0	-47.25	255.99	1.93	-45.32
C1=NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL250004671832	0	28	-1.0	-43.07	249.48	4.12	-38.95
C1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2N1	REAL250004671832	1	28	-1.0	-44.31	249.49	4.13	-40.18
C1=NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL250004671832	1	28	-1.0	-43.07	249.54	4.14	-38.93
C1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2N1	REAL250004671832	1	28	-1.0	-44.35	249.56	4.15	-40.20
C1=NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1	REAL250004671833	0	28	-1.0	-50.59	249.80	4.09	-46.50
C1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2N1	REAL250004671833	1	28	-1.0	-47.92	249.81	4.10	-43.82
C1=NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1	REAL250004671833	1	28	-1.0	-50.60	249.85	4.08	-46.52
C1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2N1	REAL250004671833	1	28	-1.0	-47.90	249.86	4.09	-43.81
CCC1=CNC2=NC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C12	REAL250004671834	0	34	-1.0	-42.55	293.67	5.22	-37.33
CCC1=CNC2=NC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C12	REAL250004671834	1	34	-1.0	-42.46	293.73	5.23	-37.23
CCC1=CNC2=NC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C12	REAL250004671835	0	34	-1.0	-46.62	293.98	5.19	-41.43
CCC1=CNC2=NC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C12	REAL250004671835	1	34	-1.0	-46.62	294.03	5.18	-41.44
FC(F)C1=NC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CS1	REAL250004671836	0	24	-1.0	-49.41	247.25	2.74	-46.67
FC(F)C1=NC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CS1	REAL250004671836	1	24	-1.0	-49.41	247.31	2.74	-46.67
FC(F)C1=NC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CS1	REAL250004671837	0	24	-1.0	-44.61	246.96	2.71	-41.90
FC(F)C1=NC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CS1	REAL250004671837	1	24	-1.0	-44.52	247.01	2.70	-41.82
O=[N+]([O-])C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL250004671838	0	27	-1.0	-37.74	256.55	5.18	-32.56
O=[N+]([O-])C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671838	1	27	-1.0	-37.73	256.61	5.19	-32.54
O=[N+]([O-])C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1F	REAL250004671839	0	27	-1.0	-48.45	256.87	5.14	-43.31
O=[N+]([O-])C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671839	1	27	-1.0	-48.40	256.92	5.13	-43.27
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671840	0	27	-1.0	-42.22	256.54	5.18	-37.04
O=[N+]([O-])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671840	1	27	-1.0	-42.18	256.61	5.19	-36.99
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671841	0	27	-1.0	-44.88	256.86	5.14	-39.74
O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671841	1	27	-1.0	-44.84	256.91	5.13	-39.71
CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL250004671842	0	32	-1.0	-37.75	286.40	4.92	-32.83
CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL250004671842	1	32	-1.0	-37.68	286.46	4.93	-32.75
CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL250004671843	0	32	-1.0	-43.06	286.80	4.91	-38.15
CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL250004671843	1	32	-1.0	-43.03	286.84	4.90	-38.13
COC1=CC(F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671844	0	29	-1.0	-37.95	264.16	4.17	-33.78
COC1=CC(F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671844	1	29	-1.0	-37.92	264.22	4.18	-33.74
COC1=CC(F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671845	0	29	-1.0	-43.81	264.53	4.13	-39.68
COC1=CC(F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671845	1	29	-1.0	-43.78	264.60	4.13	-39.65
FC(F)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671846	0	29	-1.0	-42.54	263.05	4.06	-38.48
FC(F)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671846	1	29	-1.0	-42.54	263.11	4.07	-38.47
FC(F)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671847	0	29	-1.0	-45.49	263.37	4.03	-41.46
FC(F)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671847	1	29	-1.0	-45.49	263.42	4.02	-41.47
COC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(O)=C1	REAL250004671848	0	32	-1.0	-41.40	292.82	2.67	-38.73
COC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(O)=C1	REAL250004671848	1	32	-1.0	-41.34	292.88	2.68	-38.66
COC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(O)=C1	REAL250004671849	0	32	-1.0	-46.53	293.16	2.64	-43.89
COC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(O)=C1	REAL250004671849	1	32	-1.0	-46.57	293.22	2.63	-43.94
O=CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL250004671850	0	26	-1.0	-49.86	242.96	2.42	-47.44
O=CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL250004671850	1	26	-1.0	-49.84	243.02	2.43	-47.41
O=CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL250004671851	0	26	-1.0	-50.46	243.27	2.37	-48.09
O=CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL250004671851	1	26	-1.0	-50.44	243.32	2.38	-48.06
FC(F)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671852	0	29	-1.0	-42.54	263.05	4.06	-38.48
FC(F)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671852	1	29	-1.0	-42.54	263.11	4.07	-38.47
FC(F)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671853	0	29	-1.0	-45.49	263.37	4.03	-41.46
FC(F)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671853	1	29	-1.0	-45.49	263.42	4.02	-41.47
CCCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671854	0	34	-1.0	-38.55	288.24	6.69	-31.86
CCCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671854	1	34	-1.0	-38.53	288.30	6.70	-31.83
CCCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671855	0	34	-1.0	-43.08	288.56	6.66	-36.42
CCCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671855	1	34	-1.0	-43.09	288.61	6.65	-36.44
C1=CC2=C(CCN2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671856	0	31	-1.0	-39.02	266.92	3.70	-35.32
C1=CC2=C(CCN2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671856	1	31	-1.0	-39.03	266.98	3.72	-35.31
C1=CC2=C(CCN2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671857	0	31	-1.0	-42.80	267.25	3.67	-39.13
C1=CC2=C(CCN2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671857	1	31	-1.0	-42.83	267.30	3.66	-39.17
FC1=C2OC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL250004671858	0	28	-1.0	-46.72	262.60	5.24	-41.48
FC1=C2OC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL250004671858	1	28	-1.0	-46.70	262.66	5.24	-41.46
FC1=C2OC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=CC=C1	REAL250004671859	0	28	-1.0	-44.82	262.92	5.18	-39.64
FC1=C2OC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=CC=C1	REAL250004671859	1	28	-1.0	-44.79	262.97	5.18	-39.61
CN(C)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671860	0	33	-1.0	-40.93	276.26	4.91	-36.02
CN(C)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671860	1	33	-1.0	-40.90	276.32	4.92	-35.98
CN(C)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671861	0	33	-1.0	-45.10	276.57	4.88	-40.22
CN(C)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671861	1	33	-1.0	-45.08	276.62	4.87	-40.21
CC(C)(C)C1=CC(O)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671862	0	38	-1.0	-40.30	311.01	3.95	-36.35
CC(C)(C)C1=CC(O)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671862	1	38	-1.0	-40.28	311.07	3.96	-36.32
CC(C)(C)C1=CC(O)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671863	0	38	-1.0	-43.54	311.32	3.92	-39.62
CC(C)(C)C1=CC(O)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671863	1	38	-1.0	-43.50	311.38	3.91	-39.59
CC1=CC(F)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671864	0	28	-1.0	-40.28	251.67	5.22	-35.06
CC1=CC(F)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671864	1	28	-1.0	-40.29	251.73	5.23	-35.06
CC1=CC(F)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671865	0	28	-1.0	-42.36	251.98	5.18	-37.18
CC1=CC(F)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671865	1	28	-1.0	-42.30	252.04	5.17	-37.13
FC(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671866	0	28	-1.0	-40.20	258.01	5.41	-34.79
FC(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671866	1	28	-1.0	-40.19	258.07	5.42	-34.77
FC(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671867	0	28	-1.0	-47.53	258.33	5.38	-42.15
FC(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671867	1	28	-1.0	-47.50	258.38	5.37	-42.13
NC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671868	0	26	-1.0	-38.37	239.45	1.56	-36.81
NC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671868	1	26	-1.0	-38.34	239.51	1.58	-36.76
NC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671869	0	26	-1.0	-44.05	239.76	1.53	-42.52
NC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671869	1	26	-1.0	-44.05	239.81	1.52	-42.53
O=C1NCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL250004671872	0	30	-1.0	-46.07	266.05	1.96	-44.11
O=C1NCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL250004671872	1	30	-1.0	-46.07	266.11	1.97	-44.10
O=C1NCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C21	REAL250004671873	0	30	-1.0	-48.43	266.37	1.93	-46.50
O=C1NCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C21	REAL250004671873	1	30	-1.0	-48.43	266.42	1.92	-46.51
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL250004671874	0	30	-1.0	-45.24	273.46	5.82	-39.42
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL250004671874	1	30	-1.0	-45.22	273.52	5.83	-39.39
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC([N+](=O)[O-])=C1	REAL250004671875	0	30	-1.0	-44.44	273.77	5.78	-38.66
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC([N+](=O)[O-])=C1	REAL250004671875	1	30	-1.0	-44.47	273.82	5.78	-38.69
CC1=NC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL250004671876	0	31	-1.0	-42.43	271.47	3.98	-38.45
CC1=NC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2N1	REAL250004671876	1	31	-1.0	-43.71	271.48	3.98	-39.73
CC1=NC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL250004671876	1	31	-1.0	-42.44	271.53	3.99	-38.45
CC1=NC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2N1	REAL250004671876	1	31	-1.0	-43.67	271.54	3.99	-39.68
CC1=NC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1	REAL250004671877	0	31	-1.0	-50.23	271.79	3.95	-46.28
CC1=NC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2N1	REAL250004671877	1	31	-1.0	-47.51	271.80	3.95	-43.56
CC1=NC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1	REAL250004671877	1	31	-1.0	-50.23	271.84	3.94	-46.29
CC1=NC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2N1	REAL250004671877	1	31	-1.0	-47.46	271.85	3.94	-43.52
C1=NN(CC2CC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671878	0	32	-1.0	-37.49	278.62	4.49	-33.00
C1=NN(CC2CC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671878	1	32	-1.0	-37.50	278.71	4.49	-33.01
C1=NN(CC2CC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671879	0	32	-1.0	-41.45	279.16	4.40	-37.05
C1=NN(CC2CC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671879	1	32	-1.0	-41.43	279.22	4.40	-37.03
CN1N=CC(C#N)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671880	0	26	-1.0	-43.47	249.16	2.49	-40.98
CN1N=CC(C#N)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671880	1	26	-1.0	-43.46	249.21	2.49	-40.97
CN1N=CC(C#N)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671881	0	26	-1.0	-42.65	249.45	2.44	-40.21
CN1N=CC(C#N)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671881	1	26	-1.0	-42.60	249.51	2.43	-40.17
FC(F)N1C=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=N1	REAL250004671882	0	25	-1.0	-45.82	244.06	2.55	-43.27
FC(F)N1C=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=N1	REAL250004671882	1	25	-1.0	-45.80	244.12	2.56	-43.24
FC(F)N1C=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=N1	REAL250004671883	0	25	-1.0	-43.13	245.15	2.57	-40.56
FC(F)N1C=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=N1	REAL250004671883	1	25	-1.0	-43.09	245.20	2.56	-40.53
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL250004671884	0	27	-1.0	-36.51	259.56	3.84	-32.67
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL250004671884	1	27	-1.0	-36.50	259.62	3.85	-32.65
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=N1	REAL250004671885	0	27	-1.0	-44.52	259.87	3.80	-40.72
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=N1	REAL250004671885	1	27	-1.0	-44.51	259.92	3.80	-40.71
FCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671886	0	28	-1.0	-39.76	251.84	5.29	-34.47
FCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671886	1	28	-1.0	-39.76	251.90	5.30	-34.46
FCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671887	0	28	-1.0	-44.82	252.15	5.26	-39.56
FCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671887	1	28	-1.0	-44.77	252.21	5.25	-39.52
C1=C2C=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=NN1	REAL250004671890	0	28	-1.0	-43.76	249.90	3.18	-40.58
C1=C2C=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=NN1	REAL250004671890	1	28	-1.0	-43.72	249.96	3.19	-40.53
C1=C2C=CC(C3=CN=C(C4=N[N-]N=N4)C=C3)=CC2=NN1	REAL250004671891	0	28	-1.0	-50.93	250.22	3.15	-47.78
C1=C2C=CC(C3=CN=C(C4=NN=N[N-]4)C=C3)=CC2=NN1	REAL250004671891	1	28	-1.0	-50.88	250.27	3.14	-47.74
FC1=CC=CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CN=C12	REAL250004671892	0	30	-1.0	-45.92	271.42	4.94	-40.98
FC1=CC=CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CN=C12	REAL250004671892	1	30	-1.0	-45.85	271.48	4.96	-40.89
FC1=CC=CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CN=C12	REAL250004671893	0	30	-1.0	-47.35	271.74	4.91	-42.44
FC1=CC=CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CN=C12	REAL250004671893	1	30	-1.0	-47.29	271.79	4.90	-42.39
CN1N=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C(F)F	REAL250004671894	0	28	-1.0	-43.12	258.88	3.00	-40.12
CN1N=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C(F)F	REAL250004671894	1	28	-1.0	-43.16	258.94	3.00	-40.16
CN1N=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C(F)F	REAL250004671895	0	28	-1.0	-45.48	258.34	2.90	-42.58
CN1N=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C(F)F	REAL250004671895	1	28	-1.0	-45.51	258.39	2.90	-42.61
COC1=CC=C(C)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671896	0	32	-1.0	-41.18	275.04	4.37	-36.81
COC1=CC=C(C)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671896	1	32	-1.0	-41.14	275.11	4.39	-36.75
COC1=CC=C(C)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671897	0	32	-1.0	-43.37	275.38	4.34	-39.03
COC1=CC=C(C)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671897	1	32	-1.0	-43.35	275.41	4.33	-39.02
ClC1=CC=CN=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671898	0	24	-1.0	-41.53	235.00	3.14	-38.39
ClC1=CC=CN=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671898	1	24	-1.0	-41.46	235.06	3.16	-38.30
ClC1=CC=CN=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671899	0	24	-1.0	-44.55	235.30	3.11	-41.44
ClC1=CC=CN=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671899	1	24	-1.0	-44.59	235.35	3.11	-41.48
NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1Cl	REAL250004671905	0	25	-1.0	-45.55	239.10	2.84	-42.71
NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1Cl	REAL250004671905	1	25	-1.0	-45.64	239.01	2.86	-42.78
N#CC1=CC=C2C(=C1)CCNC2C(=O)NC1=N[N-]N=N1	REAL250004671906	0	30	-1.0	-45.30	264.22	3.36	-41.94
N#CC1=CC=C2C(=C1)CCNC2C(=O)NC1=NN=N[N-]1	REAL250004671906	1	30	-1.0	-45.39	264.13	3.37	-42.02
CC(N)(C(=O)NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004671907	0	30	-1.0	-43.70	267.23	2.85	-40.85
CC(N)(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004671907	1	30	-1.0	-43.81	267.13	2.87	-40.94
CC(N)(COC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL250004671910	1	32	-1.0	-41.84	274.25	1.94	-39.90
CC(N)(COC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004671910	1	32	-1.0	-41.87	274.16	1.97	-39.90
CN(C(=O)C(C)(C)N1C=C(N)C=N1)C1=NN=N[N-]1	REAL250004671923	0	31	-1.0	-34.14	248.21	1.71	-32.43
CN(C(=O)C(C)(C)N1C=C(N)C=N1)C1=N[N-]N=N1	REAL250004671923	1	31	-1.0	-34.08	248.37	1.69	-32.39
CN(C(=O)CC1=CC=CC(N)=C1Cl)C1=N[N-]N=N1	REAL250004671924	0	28	-1.0	-48.43	256.82	4.32	-44.11
CN(C(=O)CC1=CC=CC(N)=C1Cl)C1=NN=N[N-]1	REAL250004671924	1	28	-1.0	-48.54	256.69	4.36	-44.18
CN(C(=O)C1NCCC2=CC(C#N)=CC=C21)C1=N[N-]N=N1	REAL250004671926	0	33	-1.0	-46.90	277.69	4.22	-42.68
CN(C(=O)C1NCCC2=CC(C#N)=CC=C21)C1=NN=N[N-]1	REAL250004671926	1	33	-1.0	-46.94	277.56	4.26	-42.68
CN(C(=O)C1=CC(N)=CC=C1Cl)C1=NN=N[N-]1	REAL250004671927	0	25	-1.0	-50.02	229.27	3.27	-46.75
CN(C(=O)C1=CC(N)=CC=C1Cl)C1=N[N-]N=N1	REAL250004671927	1	25	-1.0	-49.90	229.41	3.28	-46.62
CN(C(=O)C(C)(N)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004671928	0	33	-1.0	-46.83	279.25	4.55	-42.28
CN(C(=O)C(C)(N)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004671928	1	33	-1.0	-46.88	279.12	4.58	-42.30
CN(C(=O)C(C)(N)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004671931	1	35	-1.0	-44.50	282.69	3.34	-41.16
CN(C(=O)C(C)(N)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004671931	1	35	-1.0	-44.55	282.56	3.36	-41.19
C=CC(=O)N1CCCC1(C1=N[N-]N=N1)C(F)(F)F	REAL250004671932	0	27	-1.0	-49.21	236.12	2.79	-46.42
C=CC(=O)N1CCCC1(C1=NN=N[N-]1)C(F)(F)F	REAL250004671932	1	27	-1.0	-49.22	236.19	2.79	-46.43
CC=CC(=O)N1CCCC1(C1=N[N-]N=N1)C(F)(F)F	REAL250004671933	0	30	-1.0	-49.42	257.85	3.67	-45.75
CC=CC(=O)N1CCCC1(C1=NN=N[N-]1)C(F)(F)F	REAL250004671933	1	30	-1.0	-49.40	257.91	3.67	-45.73
CC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004671934	0	27	-1.0	-35.87	256.39	4.31	-31.56
CC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004671934	1	27	-1.0	-35.80	256.43	4.31	-31.49
C1=CSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671937	0	28	-1.0	-43.41	266.36	3.73	-39.68
C1=CSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671937	1	28	-1.0	-43.38	266.42	3.75	-39.63
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CC=C1	REAL250004671938	0	31	-1.0	-44.18	276.12	4.63	-39.55
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CC=C1	REAL250004671938	1	31	-1.0	-44.16	276.18	4.64	-39.52
C[Si](C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671939	0	33	-1.0	-45.75	289.65	6.08	-39.67
C[Si](C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671939	1	33	-1.0	-45.74	289.71	6.10	-39.64
CCOC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671940	0	30	-1.0	-50.33	271.38	2.69	-47.64
CCOC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671940	1	30	-1.0	-50.34	271.44	2.70	-47.64
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671941	0	31	-1.0	-43.31	272.33	4.80	-38.51
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671941	1	31	-1.0	-43.41	272.28	4.79	-38.62
FC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671942	0	31	-1.0	-44.82	282.55	4.71	-40.11
FC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671942	1	31	-1.0	-44.83	282.60	4.72	-40.11
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671943	0	31	-1.0	-45.10	282.54	4.70	-40.40
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671943	1	31	-1.0	-45.09	282.60	4.71	-40.38
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671944	0	34	-1.0	-44.31	297.53	5.30	-39.01
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671944	1	34	-1.0	-44.29	297.59	5.32	-38.97
ClC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671945	0	28	-1.0	-41.82	267.61	4.63	-37.19
ClC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671945	1	28	-1.0	-41.81	267.66	4.65	-37.16
FC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1Cl	REAL250004671946	0	28	-1.0	-40.63	273.46	4.68	-35.95
FC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1Cl	REAL250004671946	1	28	-1.0	-40.65	273.51	4.70	-35.95
CC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671947	0	31	-1.0	-43.73	272.39	4.79	-38.94
CC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671947	1	31	-1.0	-43.73	272.34	4.78	-38.95
CC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671948	0	34	-1.0	-43.91	290.78	5.17	-38.74
CC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671948	1	34	-1.0	-43.94	290.84	5.18	-38.76
ClC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671949	0	31	-1.0	-45.45	288.72	5.05	-40.40
ClC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671949	1	31	-1.0	-45.45	288.77	5.07	-40.38
COC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671950	0	35	-1.0	-45.90	305.63	3.93	-41.97
COC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671950	1	35	-1.0	-45.90	305.69	3.94	-41.96
C1=C(CCC2=NN=N[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL250004671951	0	33	-1.0	-47.82	291.53	4.79	-43.03
C1=C(CCC2=N[N-]N=N2)N=NN1C1=CC=CC2=CN=CC=C21	REAL250004671951	1	33	-1.0	-47.80	291.47	4.77	-43.03
C1=C(CCC2=NN=N[N-]2)N=NN1C1=C2C=CC=CC2=CC=C1	REAL250004671952	0	34	-1.0	-46.30	296.40	6.56	-39.74
C1=C(CCC2=N[N-]N=N2)N=NN1C1=C2C=CC=CC2=CC=C1	REAL250004671952	1	34	-1.0	-46.30	296.34	6.54	-39.76
C1=C(CCC2=NN=N[N-]2)N=NN1C1=C2N=CC=CC2=CC=C1	REAL250004671953	0	33	-1.0	-52.43	290.00	4.96	-47.47
C1=C(CCC2=N[N-]N=N2)N=NN1C1=C2N=CC=CC2=CC=C1	REAL250004671953	1	33	-1.0	-52.45	289.94	4.95	-47.50
FC1=CC=C(F)C(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671954	0	28	-1.0	-42.78	260.63	4.16	-38.62
FC1=CC=C(F)C(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671954	1	28	-1.0	-42.76	260.69	4.17	-38.59
CN1CCN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004671956	1	41	-1.0	-42.68	329.72	-0.03	-42.71
CN1CCN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004671956	1	41	-1.0	-42.68	329.78	-0.02	-42.70
FC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004671957	0	28	-1.0	-40.68	260.64	4.16	-36.52
FC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004671957	1	28	-1.0	-40.74	260.70	4.17	-36.57
CC1=NC2=CC(N3C=C(CCC4=N[N-]N=N4)N=N3)=CC=C2N1	REAL250004671958	0	34	-1.0	-51.00	298.59	3.60	-47.40
CC1=NC2=CC(N3C=C(CCC4=NN=N[N-]4)N=N3)=CC=C2N1	REAL250004671958	1	34	-1.0	-50.95	298.64	3.61	-47.34
CCOC(=O)C(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671960	0	34	-1.0	-47.09	303.19	0.95	-46.14
CCOC(=O)C(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671960	1	34	-1.0	-47.12	303.25	0.97	-46.15
N#CC1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004671961	0	32	-1.0	-47.67	299.92	3.09	-44.58
N#CC1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004671961	1	32	-1.0	-47.64	299.86	3.07	-44.57
COC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671963	0	32	-1.0	-43.78	280.42	3.43	-40.35
COC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671963	1	32	-1.0	-43.74	280.36	3.41	-40.33
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CN=C1	REAL250004671964	0	30	-1.0	-46.10	271.01	2.87	-43.23
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CN=C1	REAL250004671964	1	30	-1.0	-46.11	270.95	2.85	-43.26
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CC=N1	REAL250004671965	0	30	-1.0	-47.39	270.80	2.82	-44.57
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CC=N1	REAL250004671965	1	30	-1.0	-47.40	270.86	2.84	-44.56
FC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1F	REAL250004671966	0	28	-1.0	-41.01	263.58	4.23	-36.78
FC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1F	REAL250004671966	1	28	-1.0	-41.03	263.63	4.25	-36.78
FC1=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=CC=C1Cl	REAL250004671967	0	28	-1.0	-40.52	273.46	4.68	-35.84
FC1=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=CC=C1Cl	REAL250004671967	1	28	-1.0	-40.51	273.52	4.70	-35.81
OC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671968	0	29	-1.0	-44.03	261.95	1.28	-42.75
OC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671968	1	29	-1.0	-44.03	261.89	1.26	-42.77
OCC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671969	0	32	-1.0	-45.19	283.74	1.46	-43.73
OCC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671969	1	32	-1.0	-45.21	283.68	1.44	-43.77
OCC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004671970	0	32	-1.0	-46.24	283.80	1.45	-44.79
OCC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004671970	1	32	-1.0	-46.28	283.74	1.43	-44.85
COC(=O)C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004671971	0	34	-1.0	-44.62	306.59	4.70	-39.92
COC(=O)C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004671971	1	34	-1.0	-44.64	306.64	4.72	-39.92
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CC=CC=C1	REAL250004671972	0	34	-1.0	-43.01	297.59	5.41	-37.60
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CC=CC=C1	REAL250004671972	1	34	-1.0	-43.03	297.65	5.42	-37.61
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CN2C=CC=NC2=N1	REAL250004671973	0	33	-1.0	-59.61	297.91	5.70	-53.91
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CN2C=CC=NC2=N1	REAL250004671973	1	33	-1.0	-59.57	297.96	5.72	-53.85
CC(C)(C)OC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671974	0	36	-1.0	-49.50	304.43	3.81	-45.69
CC(C)(C)OC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671974	1	36	-1.0	-49.48	304.49	3.82	-45.66
OCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671975	0	34	-1.0	-46.25	292.10	0.61	-45.64
OCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671975	1	34	-1.0	-46.27	292.16	0.63	-45.64
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1=CC=CC=C1	REAL250004671976	0	37	-1.0	-45.17	319.09	6.19	-38.98
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1=CC=CC=C1	REAL250004671976	1	37	-1.0	-45.14	319.14	6.20	-38.94
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004671977	0	35	-1.0	-45.80	304.08	2.38	-43.42
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004671977	1	35	-1.0	-45.78	304.13	2.39	-43.39
CC(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671978	0	37	-1.0	-51.79	316.84	1.45	-50.34
CC(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671978	1	37	-1.0	-51.81	316.89	1.47	-50.34
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCCC1	REAL250004671979	0	38	-1.0	-53.85	312.89	3.26	-50.59
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCCC1	REAL250004671979	1	38	-1.0	-53.88	312.95	3.27	-50.61
CCN(CC)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671980	0	37	-1.0	-53.62	313.21	3.13	-50.49
CCN(CC)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671980	1	37	-1.0	-53.61	313.27	3.15	-50.46
CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671981	0	31	-1.0	-54.25	275.16	0.15	-54.10
CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671981	1	31	-1.0	-54.25	275.21	0.16	-54.09
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=CC=CC=C1	REAL250004671982	0	35	-1.0	-55.96	308.98	3.04	-52.92
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=CC=CC=C1	REAL250004671982	1	35	-1.0	-55.96	309.04	3.05	-52.91
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004671983	0	32	-1.0	-46.56	302.55	5.04	-41.52
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004671983	1	32	-1.0	-46.55	302.60	5.06	-41.49
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004671984	0	28	-1.0	-43.41	283.40	4.34	-39.07
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004671984	1	28	-1.0	-43.42	283.46	4.35	-39.07
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCC1	REAL250004671985	0	37	-1.0	-43.48	299.10	5.05	-38.43
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCC1	REAL250004671985	1	37	-1.0	-43.44	299.16	5.06	-38.38
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004671986	0	30	-1.0	-46.74	282.62	2.34	-44.40
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004671986	1	30	-1.0	-46.74	282.68	2.35	-44.39
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004671987	0	30	-1.0	-48.62	273.06	2.77	-45.85
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004671987	1	30	-1.0	-48.59	273.12	2.78	-45.81
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004671988	0	29	-1.0	-51.28	268.24	-2.41	-53.69
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004671988	1	29	-1.0	-51.28	268.30	-2.40	-53.68
C1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004671989	0	27	-1.0	-46.62	260.69	1.63	-44.99
C1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004671989	1	27	-1.0	-46.67	260.74	1.64	-45.03
CC(C(=O)N1CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671990	0	38	-1.0	-49.82	316.99	2.82	-47.00
CC(C(=O)N1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671990	1	38	-1.0	-49.82	317.05	2.84	-46.98
CC(C)NC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671991	0	37	-1.0	-51.68	314.41	1.52	-50.16
CC(C)NC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671991	1	37	-1.0	-51.65	314.47	1.53	-50.12
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004671992	0	31	-1.0	-45.57	278.80	3.60	-41.97
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004671992	1	31	-1.0	-45.56	278.86	3.61	-41.95
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC2=C(C=C1)OCO2	REAL250004671993	0	34	-1.0	-48.97	302.20	3.30	-45.67
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC2=C(C=C1)OCO2	REAL250004671993	1	34	-1.0	-48.97	302.26	3.31	-45.66
COC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671994	0	35	-1.0	-45.91	304.45	3.99	-41.92
COC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671994	1	35	-1.0	-45.91	304.50	4.01	-41.90
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC2=CC=CC=C2O1	REAL250004671995	0	33	-1.0	-51.32	298.46	1.62	-49.70
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC2=CC=CC=C2O1	REAL250004671995	1	33	-1.0	-51.31	298.52	1.64	-49.67
CCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004671996	0	33	-1.0	-46.88	304.11	3.08	-43.80
CCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004671996	1	33	-1.0	-46.85	304.17	3.10	-43.75
COC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671997	0	33	-1.0	-50.93	293.15	3.20	-47.73
COC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671997	1	33	-1.0	-50.89	293.20	3.21	-47.68
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CC=CC=N1	REAL250004671998	0	33	-1.0	-44.80	291.78	3.63	-41.17
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CC=CC=N1	REAL250004671998	1	33	-1.0	-44.81	291.84	3.64	-41.17
O=C1C=CC=CN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671999	0	34	-1.0	-54.54	301.40	3.72	-50.82
O=C1C=CC=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671999	1	34	-1.0	-54.51	301.46	3.73	-50.78
C1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672000	0	31	-1.0	-44.92	278.64	2.62	-42.30
C1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672000	1	31	-1.0	-44.93	278.58	2.60	-42.33
CC(C)CSCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672001	0	40	-1.0	-45.18	344.19	5.88	-39.30
CC(C)CSCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672001	1	40	-1.0	-45.16	344.25	5.90	-39.26
CC1=C(F)C=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672002	0	31	-1.0	-43.19	277.26	5.05	-38.14
CC1=C(F)C=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672002	1	31	-1.0	-43.20	277.21	5.04	-38.16
CCOC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672003	0	33	-1.0	-43.68	288.98	3.02	-40.66
CCOC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672003	1	33	-1.0	-43.71	289.03	3.04	-40.67
CCC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672004	0	34	-1.0	-43.44	285.82	5.62	-37.82
CCC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672004	1	34	-1.0	-43.44	285.77	5.60	-37.84
FC1=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=CC(F)=C1	REAL250004672005	0	28	-1.0	-40.75	263.69	4.25	-36.50
FC1=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=CC(F)=C1	REAL250004672005	1	28	-1.0	-40.76	263.75	4.26	-36.50
FC1=CC(Cl)=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672006	0	28	-1.0	-40.54	270.96	4.61	-35.93
FC1=CC(Cl)=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672006	1	28	-1.0	-40.55	271.02	4.63	-35.92
ClC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672007	0	31	-1.0	-44.15	292.86	5.14	-39.01
ClC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672007	1	31	-1.0	-44.16	292.92	5.15	-39.01
COC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672008	0	35	-1.0	-45.59	305.64	3.94	-41.65
COC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672008	1	35	-1.0	-45.61	305.70	3.95	-41.66
CC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672009	0	31	-1.0	-43.34	272.08	5.02	-38.32
CC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672009	1	31	-1.0	-43.35	272.03	5.01	-38.34
CN1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672011	0	32	-1.0	-48.61	278.30	1.42	-47.19
CN1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672011	1	32	-1.0	-48.65	278.36	1.44	-47.21
N#CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672012	0	29	-1.0	-44.11	272.74	4.45	-39.66
N#CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672012	1	29	-1.0	-44.10	272.68	4.44	-39.66
N#CC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672013	0	29	-1.0	-52.36	268.89	4.34	-48.02
N#CC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672013	1	29	-1.0	-52.38	268.83	4.33	-48.05
N#CC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672014	0	29	-1.0	-47.44	271.82	4.51	-42.93
N#CC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672014	1	29	-1.0	-47.45	271.76	4.50	-42.95
N#CCC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672015	0	32	-1.0	-44.15	288.80	4.27	-39.88
N#CCC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672015	1	32	-1.0	-44.18	288.86	4.28	-39.90
O=C1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672016	0	31	-1.0	-53.75	275.28	2.89	-50.86
O=C1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672016	1	31	-1.0	-53.74	275.34	2.91	-50.83
CC1=CC(F)=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672017	0	31	-1.0	-41.54	278.79	4.86	-36.68
CC1=CC(F)=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672017	1	31	-1.0	-41.57	278.74	4.85	-36.72
OCCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672018	0	37	-1.0	-44.95	313.60	1.38	-43.57
OCCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672018	1	37	-1.0	-44.92	313.66	1.40	-43.52
CC(=O)C1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672019	0	33	-1.0	-53.28	290.90	4.99	-48.29
CC(=O)C1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672019	1	33	-1.0	-53.26	290.84	4.97	-48.29
CN(C)C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672020	0	36	-1.0	-44.36	301.97	4.48	-39.88
CN(C)C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672020	1	36	-1.0	-44.36	302.03	4.50	-39.86
OCC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672021	0	32	-1.0	-43.87	276.40	1.68	-42.19
OCC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672021	1	32	-1.0	-43.85	276.35	1.67	-42.18
CC(=O)C1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672022	0	33	-1.0	-52.92	291.41	4.50	-48.42
CC(=O)C1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672022	1	33	-1.0	-52.93	291.47	4.51	-48.42
C[C@H](C1=CC=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672023	0	33	-1.0	-46.63	286.12	3.19	-43.44
C[C@H](C1=CC=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672023	1	33	-1.0	-46.64	286.17	3.20	-43.44
O=[N+]([O-])C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672024	0	29	-1.0	-40.14	277.30	4.00	-36.14
O=[N+]([O-])C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672024	1	29	-1.0	-40.16	277.24	3.98	-36.18
CC(CO)(CO)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672025	0	35	-1.0	-45.51	290.56	-2.62	-48.13
CC(CO)(CO)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672025	1	35	-1.0	-45.54	290.62	-2.61	-48.15
O[C@H](CC1=CC=CC=C1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672026	0	38	-1.0	-49.07	329.12	2.89	-46.18
O[C@H](CC1=CC=CC=C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672026	1	38	-1.0	-49.07	329.17	2.90	-46.17
C[C@@H](C1=CC=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672027	0	33	-1.0	-46.85	286.13	3.19	-43.66
C[C@@H](C1=CC=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672027	1	33	-1.0	-46.84	286.19	3.20	-43.64
COC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672028	0	31	-1.0	-41.68	276.03	2.86	-38.82
COC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672028	1	31	-1.0	-41.68	276.08	2.88	-38.80
COC[C@@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672029	0	32	-1.0	-49.72	282.12	-1.64	-51.36
COC[C@@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672029	1	32	-1.0	-49.71	282.17	-1.62	-51.33
COCC(COC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672030	0	35	-1.0	-43.02	301.12	0.31	-42.71
COCC(COC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672030	1	35	-1.0	-43.10	301.17	0.32	-42.78
COC[C@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672031	0	32	-1.0	-49.12	280.83	-1.51	-50.63
COC[C@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672031	1	32	-1.0	-49.14	280.88	-1.49	-50.63
CC1CCCCC1(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672033	0	40	-1.0	-43.49	303.40	5.37	-38.12
CC1CCCCC1(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672033	1	40	-1.0	-43.48	303.45	5.39	-38.09
OCC1=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672034	0	31	-1.0	-46.05	277.93	-0.29	-46.34
OCC1=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672034	1	31	-1.0	-46.08	277.99	-0.27	-46.35
FC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672035	0	28	-1.0	-48.00	255.45	4.21	-43.79
FC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672035	1	28	-1.0	-48.00	255.40	4.19	-43.81
NC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672036	0	30	-1.0	-44.72	266.01	2.00	-42.72
NC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672036	1	30	-1.0	-44.74	265.96	1.98	-42.76
ClC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672037	0	28	-1.0	-41.74	267.60	4.63	-37.11
ClC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672037	1	28	-1.0	-41.76	267.66	4.65	-37.11
C[C@@H](C1=CC=CN=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672038	0	33	-1.0	-45.37	285.50	3.13	-42.24
C[C@@H](C1=CC=CN=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672038	1	33	-1.0	-45.38	285.44	3.12	-42.26
O=[N+]([O-])C1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672039	0	30	-1.0	-49.56	279.14	4.77	-44.79
O=[N+]([O-])C1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672039	1	30	-1.0	-49.56	279.19	4.79	-44.77
C[C@H](C1=CC=CN=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672040	0	33	-1.0	-45.59	285.53	3.13	-42.46
C[C@H](C1=CC=CN=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672040	1	33	-1.0	-45.57	285.47	3.12	-42.45
C1=C(CCC2=N[N-]N=N2)N=NN1C1=CC=CC2=C1CCCC2	REAL250004672041	0	38	-1.0	-43.99	307.51	6.65	-37.34
C1=C(CCC2=NN=N[N-]2)N=NN1C1=CC=CC2=C1CCCC2	REAL250004672041	1	38	-1.0	-43.99	307.57	6.66	-37.33
ClC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672042	0	28	-1.0	-46.05	263.34	4.67	-41.38
ClC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672042	1	28	-1.0	-46.07	263.29	4.66	-41.41
CC(=O)C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672044	0	33	-1.0	-47.34	293.03	4.46	-42.88
CC(=O)C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672044	1	33	-1.0	-47.36	293.09	4.47	-42.89
O[C@@H](CC1=CC=CC=C1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672045	0	38	-1.0	-48.48	327.80	3.03	-45.45
O[C@@H](CC1=CC=CC=C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672045	1	38	-1.0	-48.50	327.86	3.05	-45.45
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SN=N1	REAL250004672046	0	26	-1.0	-47.98	254.88	1.27	-46.71
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SN=N1	REAL250004672046	1	26	-1.0	-47.97	254.94	1.28	-46.69
CCC1=NC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672047	0	36	-1.0	-47.08	315.26	1.54	-45.54
CCC1=NC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672047	1	36	-1.0	-47.07	315.31	1.56	-45.51
COC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672048	0	32	-1.0	-46.07	280.47	3.42	-42.65
COC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672048	1	32	-1.0	-46.09	280.41	3.40	-42.69
FC1(F)CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672049	0	34	-1.0	-41.79	290.09	4.35	-37.44
FC1(F)CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672049	1	34	-1.0	-41.77	290.15	4.37	-37.40
FC1(F)CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672050	0	37	-1.0	-41.72	308.65	5.10	-36.62
FC1(F)CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672050	1	37	-1.0	-41.73	308.70	5.11	-36.62
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1Cl	REAL250004672051	0	31	-1.0	-43.80	286.33	5.21	-38.59
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1Cl	REAL250004672051	1	31	-1.0	-43.83	286.38	5.22	-38.61
COC1(C(CO)N2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL250004672052	0	39	-1.0	-46.54	313.32	-0.56	-47.10
COC1(C(CO)N2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL250004672052	1	39	-1.0	-46.49	313.38	-0.55	-47.04
O=[N+]([O-])C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672053	0	30	-1.0	-43.30	279.07	4.78	-38.52
O=[N+]([O-])C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672053	1	30	-1.0	-43.32	279.13	4.80	-38.52
CC1=NN(C)C(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672054	0	31	-1.0	-41.96	271.57	3.14	-38.82
CC1=NN(C)C(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672054	1	31	-1.0	-41.95	271.52	3.13	-38.82
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1CCCC1	REAL250004672055	0	41	-1.0	-41.89	337.08	4.39	-37.50
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1CCCC1	REAL250004672055	1	41	-1.0	-41.93	337.14	4.41	-37.52
CCC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)COC1	REAL250004672056	0	35	-1.0	-44.69	287.50	2.32	-42.37
CCC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)COC1	REAL250004672056	1	35	-1.0	-44.70	287.55	2.33	-42.37
CCO[C@@H]1CCCC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672057	0	41	-1.0	-44.02	330.76	4.04	-39.98
CCO[C@@H]1CCCC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672057	1	41	-1.0	-44.06	330.81	4.05	-40.01
O[C@@H]1CCCCC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672058	0	38	-1.0	-44.82	300.03	1.28	-43.54
O[C@@H]1CCCCC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672058	1	38	-1.0	-44.84	300.09	1.30	-43.54
CO[C@@H]1COC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672059	0	33	-1.0	-42.79	281.97	-0.15	-42.94
CO[C@@H]1COC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672059	1	33	-1.0	-42.82	282.02	-0.14	-42.96
CC[C@H](C1=CC=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672060	0	36	-1.0	-44.78	305.09	3.91	-40.87
CC[C@H](C1=CC=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672060	1	36	-1.0	-44.77	305.15	3.92	-40.85
N#CC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCCC1	REAL250004672061	0	38	-1.0	-55.25	311.58	4.83	-50.42
N#CC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCCC1	REAL250004672061	1	38	-1.0	-55.25	311.64	4.85	-50.40
N#CC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL250004672062	0	35	-1.0	-53.60	297.19	4.30	-49.30
N#CC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL250004672062	1	35	-1.0	-53.58	297.25	4.32	-49.26
OC1=CC=C(Cl)C=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672063	0	29	-1.0	-43.43	276.43	2.04	-41.39
OC1=CC=C(Cl)C=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672063	1	29	-1.0	-43.43	276.49	2.06	-41.37
CC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=N1	REAL250004672064	0	36	-1.0	-44.26	304.49	4.05	-40.21
CC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=N1	REAL250004672064	1	36	-1.0	-44.26	304.55	4.06	-40.20
CC1=CN=CC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672065	0	35	-1.0	-46.59	309.00	2.32	-44.27
CC1=CN=CC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672065	1	35	-1.0	-46.60	309.06	2.33	-44.27
FC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672066	0	28	-1.0	-42.14	257.34	4.20	-37.94
FC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672066	1	28	-1.0	-42.13	257.29	4.18	-37.95
C1=C(CCC2=NN=N[N-]2)N=NN1C1=CC2=C(C=C1)CCC2	REAL250004672067	0	35	-1.0	-43.73	296.46	6.04	-37.69
C1=C(CCC2=N[N-]N=N2)N=NN1C1=CC2=C(C=C1)CCC2	REAL250004672067	1	35	-1.0	-43.73	296.40	6.02	-37.71
C1=NC2=CC(N3C=C(CCC4=NN=N[N-]4)N=N3)=CC=C2N1	REAL250004672068	0	31	-1.0	-51.55	276.71	3.76	-47.79
C1=NC2=CC(N3C=C(CCC4=N[N-]N=N4)N=N3)=CC=C2N1	REAL250004672068	1	31	-1.0	-51.53	276.65	3.74	-47.79
FC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672069	0	28	-1.0	-42.06	257.34	4.20	-37.86
FC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672069	1	28	-1.0	-42.07	257.28	4.18	-37.89
O=CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672070	0	30	-1.0	-47.98	275.10	3.79	-44.19
O=CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672070	1	30	-1.0	-47.97	275.04	3.77	-44.20
CC1=CC=CN=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672071	0	30	-1.0	-44.26	265.50	4.05	-40.21
CC1=CC=CN=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672071	1	30	-1.0	-44.28	265.44	4.03	-40.25
CCCCCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672072	0	45	-1.0	-42.87	366.68	7.07	-35.80
CCCCCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672072	1	45	-1.0	-42.86	366.73	7.08	-35.78
N#CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672073	0	32	-1.0	-47.12	297.00	5.02	-42.10
N#CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672073	1	32	-1.0	-47.14	297.05	5.04	-42.10
CC1=CC(Cl)=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672074	0	31	-1.0	-41.46	283.54	5.37	-36.09
CC1=CC(Cl)=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672074	1	31	-1.0	-41.47	283.59	5.38	-36.09
CC(C)(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N+](=O)[O-]	REAL250004672075	0	32	-1.0	-40.96	278.18	3.32	-37.64
CC(C)(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N+](=O)[O-]	REAL250004672075	1	32	-1.0	-40.96	278.24	3.33	-37.63
CCOC(=O)C(F)(F)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672077	0	30	-1.0	-41.24	282.30	2.67	-38.57
CCOC(=O)C(F)(F)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672077	1	30	-1.0	-41.23	282.35	2.69	-38.54
CCO[C@H]1C[C@H](N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672078	0	35	-1.0	-43.20	295.35	2.70	-40.50
CCO[C@H]1C[C@H](N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672078	1	35	-1.0	-43.21	295.41	2.72	-40.49
NC1=CC=C(Cl)C(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672079	0	30	-1.0	-45.33	283.13	2.68	-42.65
NC1=CC=C(Cl)C(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672079	1	30	-1.0	-45.35	283.08	2.67	-42.68
ClC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672080	0	27	-1.0	-40.37	265.69	3.84	-36.53
ClC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672080	1	27	-1.0	-40.39	265.64	3.82	-36.57
N#CC1=CC=CN=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672081	0	28	-1.0	-50.85	266.97	3.63	-47.22
N#CC1=CC=CN=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672081	1	28	-1.0	-50.83	266.91	3.62	-47.21
CC(C)(C)OCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672082	0	40	-1.0	-45.27	327.51	3.56	-41.71
CC(C)(C)OCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672082	1	40	-1.0	-45.29	327.57	3.57	-41.72
CC(C1=CC=CC=C1F)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672083	0	34	-1.0	-44.25	295.43	4.95	-39.30
CC(C1=CC=CC=C1F)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672083	1	34	-1.0	-44.20	295.49	4.96	-39.24
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2CC2C1	REAL250004672084	0	35	-1.0	-43.68	291.91	5.03	-38.65
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2CC2C1	REAL250004672084	1	35	-1.0	-43.65	291.96	5.04	-38.61
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC2CC2C1	REAL250004672085	0	38	-1.0	-43.25	302.34	5.54	-37.71
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC2CC2C1	REAL250004672085	1	38	-1.0	-43.25	302.40	5.56	-37.69
CC1=CNN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672086	0	31	-1.0	-46.45	275.89	1.62	-44.83
CC1=CNN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672086	1	31	-1.0	-46.46	275.95	1.63	-44.83
CC(C)(C)O[C@H]1C[C@H](N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672087	0	41	-1.0	-42.82	330.69	3.86	-38.96
CC(C)(C)O[C@H]1C[C@H](N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672087	1	41	-1.0	-42.87	330.75	3.88	-38.99
FC(F)C1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672089	0	30	-1.0	-50.38	285.84	3.04	-47.34
FC(F)C1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672089	1	30	-1.0	-50.40	285.90	3.05	-47.35
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC2=CC=CC=C2N1	REAL250004672090	0	34	-1.0	-52.19	302.50	3.38	-48.81
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC2=CC=CC=C2N1	REAL250004672090	1	34	-1.0	-52.20	302.45	3.36	-48.84
COCC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672091	0	35	-1.0	-43.67	298.66	4.08	-39.59
COCC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672091	1	35	-1.0	-43.70	298.60	4.07	-39.63
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004672092	0	30	-1.0	-46.04	271.00	2.87	-43.17
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004672092	1	30	-1.0	-46.07	271.06	2.88	-43.19
CS(=O)(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672093	0	32	-1.0	-50.73	294.73	-2.23	-52.96
CS(=O)(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672093	1	32	-1.0	-50.74	294.79	-2.21	-52.95
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672095	0	30	-1.0	-43.15	270.38	3.99	-39.16
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672095	1	30	-1.0	-43.14	270.32	3.97	-39.17
COCC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672096	0	35	-1.0	-45.31	306.00	3.84	-41.47
COCC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672096	1	35	-1.0	-45.30	306.05	3.85	-41.45
FC1=CC=C(Cl)C=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672097	0	28	-1.0	-42.33	270.96	4.60	-37.73
FC1=CC=C(Cl)C=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672097	1	28	-1.0	-42.32	271.02	4.62	-37.70
FC1=CC=CC(F)=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672098	0	28	-1.0	-47.47	258.75	4.19	-43.28
FC1=CC=CC(F)=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672098	1	28	-1.0	-47.48	258.81	4.21	-43.27
C1=C(CCC2=N[N-]N=N2)N=NN1C1CCCC2=CC=CN=C21	REAL250004672099	0	37	-1.0	-45.54	309.63	4.55	-40.99
C1=C(CCC2=NN=N[N-]2)N=NN1C1CCCC2=CC=CN=C21	REAL250004672099	1	37	-1.0	-45.52	309.69	4.57	-40.95
FC1(F)CCCC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672100	0	37	-1.0	-44.43	310.37	5.03	-39.40
FC1(F)CCCC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672100	1	37	-1.0	-44.40	310.42	5.05	-39.35
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1CCOC1	REAL250004672101	0	36	-1.0	-43.74	307.16	1.11	-42.63
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1CCOC1	REAL250004672101	1	36	-1.0	-43.75	307.22	1.13	-42.62
FC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1F	REAL250004672102	0	28	-1.0	-49.82	261.69	4.25	-45.57
FC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1F	REAL250004672102	1	28	-1.0	-49.86	261.74	4.27	-45.59
C1=C(CCC2=N[N-]N=N2)N=NN1[C@H]1CCCC2=CC=CN=C21	REAL250004672103	0	37	-1.0	-45.56	309.66	4.56	-41.00
C1=C(CCC2=NN=N[N-]2)N=NN1[C@H]1CCCC2=CC=CN=C21	REAL250004672103	1	37	-1.0	-45.57	309.72	4.58	-40.99
C1=C(CCC2=N[N-]N=N2)N=NN1[C@@H]1CCCC2=CC=CN=C21	REAL250004672104	0	37	-1.0	-45.74	309.68	4.56	-41.18
C1=C(CCC2=NN=N[N-]2)N=NN1[C@@H]1CCCC2=CC=CN=C21	REAL250004672104	1	37	-1.0	-45.72	309.74	4.58	-41.14
CC1=NC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672105	0	33	-1.0	-47.52	293.77	0.79	-46.73
CC1=NC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672105	1	33	-1.0	-47.50	293.83	0.80	-46.70
FC1=C(Cl)C=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672106	0	28	-1.0	-48.46	271.57	4.69	-43.77
FC1=C(Cl)C=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672106	1	28	-1.0	-48.49	271.63	4.71	-43.78
CC1=CC=CC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672107	0	36	-1.0	-44.87	313.39	4.23	-40.64
CC1=CC=CC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672107	1	36	-1.0	-44.86	313.45	4.25	-40.61
FC1=CC=CC2=C1CC[C@@H]2N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672108	0	35	-1.0	-41.27	304.38	5.62	-35.65
FC1=CC=CC2=C1CC[C@@H]2N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672108	1	35	-1.0	-41.28	304.43	5.63	-35.65
FC1=CC=CC2=C1CC[C@H]2N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672109	0	35	-1.0	-41.54	305.00	5.64	-35.90
FC1=CC=CC2=C1CC[C@H]2N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672109	1	35	-1.0	-41.60	305.06	5.65	-35.95
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)ON=C1C1CC1	REAL250004672110	0	34	-1.0	-47.65	303.23	4.30	-43.35
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)ON=C1C1CC1	REAL250004672110	1	34	-1.0	-47.66	303.28	4.31	-43.35
CC1(C)COC(=O)C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672111	0	34	-1.0	-45.24	287.79	3.24	-42.00
CC1(C)COC(=O)C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672111	1	34	-1.0	-45.25	287.85	3.25	-42.00
FC1(F)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672112	0	31	-1.0	-46.41	277.32	3.85	-42.56
FC1(F)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672112	1	31	-1.0	-46.41	277.38	3.87	-42.54
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC=CCC1	REAL250004672114	0	38	-1.0	-43.15	305.33	5.56	-37.59
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC=CCC1	REAL250004672114	1	38	-1.0	-43.13	305.39	5.58	-37.55
C[Si](C)(C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672115	0	36	-1.0	-45.42	309.65	6.20	-39.22
C[Si](C)(C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672115	1	36	-1.0	-45.42	309.71	6.22	-39.20
CC1=CC=CC(F)=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672116	0	31	-1.0	-44.78	276.96	5.02	-39.76
CC1=CC=CC(F)=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672116	1	31	-1.0	-44.79	276.90	5.00	-39.79
CC1=CC=NC(N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672117	0	29	-1.0	-47.36	266.14	4.39	-42.97
CC1=CC=NC(N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672117	1	29	-1.0	-47.37	266.08	4.37	-43.00
COC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672118	0	32	-1.0	-47.55	278.25	3.69	-43.86
COC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672118	1	32	-1.0	-47.51	278.19	3.67	-43.84
CC1(C)CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672119	0	41	-1.0	-44.84	325.94	3.87	-40.97
CC1(C)CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672119	1	41	-1.0	-44.84	325.99	3.89	-40.95
C1=C(CCC2=N[N-]N=N2)N=NN1CCCOC1CCC1	REAL250004672120	0	38	-1.0	-45.60	320.37	3.82	-41.78
C1=C(CCC2=NN=N[N-]2)N=NN1CCCOC1CCC1	REAL250004672120	1	38	-1.0	-45.62	320.43	3.83	-41.79
O[C@@H]1CCCC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672121	0	35	-1.0	-45.14	287.53	0.74	-44.40
O[C@@H]1CCCC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672121	1	35	-1.0	-45.16	287.59	0.75	-44.41
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1F	REAL250004672123	0	31	-1.0	-44.48	277.64	4.84	-39.64
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1F	REAL250004672123	1	31	-1.0	-44.42	277.58	4.82	-39.60
CC1=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=CC(C)=C1	REAL250004672124	0	34	-1.0	-43.23	293.74	5.45	-37.78
CC1=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=CC(C)=C1	REAL250004672124	1	34	-1.0	-43.21	293.69	5.44	-37.77
CC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1F	REAL250004672125	0	31	-1.0	-48.14	275.76	4.87	-43.27
CC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1F	REAL250004672125	1	31	-1.0	-48.08	275.70	4.85	-43.23
CCC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672126	0	34	-1.0	-43.66	293.88	5.56	-38.10
CCC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672126	1	34	-1.0	-43.68	293.82	5.55	-38.13
COCCOCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672127	0	32	-1.0	-43.98	282.71	-0.34	-44.32
COCCOCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672127	1	32	-1.0	-43.97	282.77	-0.33	-44.30
C1=C(CCC2=N[N-]N=N2)N=NN1CCN1CCOCC1	REAL250004672128	0	37	-1.0	-43.60	304.53	0.10	-43.50
C1=C(CCC2=NN=N[N-]2)N=NN1CCN1CCOCC1	REAL250004672128	1	37	-1.0	-43.57	304.58	0.11	-43.46
FC1=CC(Cl)=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672129	0	28	-1.0	-40.69	274.01	4.70	-35.99
FC1=CC(Cl)=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672129	1	28	-1.0	-40.66	274.07	4.72	-35.94
CC1=CC=CC(C)=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672130	0	34	-1.0	-43.37	288.30	5.52	-37.85
CC1=CC=CC(C)=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672130	1	34	-1.0	-43.37	288.24	5.50	-37.87
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004672131	0	31	-1.0	-43.16	275.69	4.78	-38.38
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004672131	1	31	-1.0	-43.19	275.63	4.77	-38.42
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1C	REAL250004672132	0	34	-1.0	-43.64	289.33	5.33	-38.31
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1C	REAL250004672132	1	34	-1.0	-43.67	289.27	5.32	-38.35
CC1=CC=C(C)C(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672133	0	34	-1.0	-42.99	288.27	5.54	-37.45
CC1=CC=C(C)C(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672133	1	34	-1.0	-42.99	288.21	5.52	-37.47
ClC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672134	0	27	-1.0	-42.66	265.80	3.77	-38.89
ClC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672134	1	27	-1.0	-42.68	265.74	3.75	-38.93
COC(=O)C(C)=CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672135	0	31	-1.0	-41.93	277.41	3.39	-38.54
COC(=O)C(C)=CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672135	1	31	-1.0	-41.93	277.46	3.40	-38.53
CCOC(CCN1C=C(CCC2=N[N-]N=N2)N=N1)OCC	REAL250004672136	0	41	-1.0	-44.82	341.13	3.25	-41.57
CCOC(CCN1C=C(CCC2=NN=N[N-]2)N=N1)OCC	REAL250004672136	1	41	-1.0	-44.84	341.19	3.26	-41.58
CC1=CN(C)N=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672137	0	34	-1.0	-47.07	299.79	2.95	-44.12
CC1=CN(C)N=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672137	1	34	-1.0	-47.08	299.85	2.97	-44.11
CCOC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672138	0	35	-1.0	-43.42	302.21	4.34	-39.08
CCOC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672138	1	35	-1.0	-43.41	302.27	4.35	-39.06
CC1(O)CCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672139	0	35	-1.0	-45.24	287.00	1.05	-44.19
CC1(O)CCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672139	1	35	-1.0	-45.23	287.05	1.06	-44.17
C[C@H](C1=CC=NC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672140	0	33	-1.0	-44.62	285.82	3.18	-41.44
C[C@H](C1=CC=NC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672140	1	33	-1.0	-44.66	285.88	3.19	-41.47
COC1=CC=NC(N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672141	0	30	-1.0	-45.21	276.78	2.25	-42.96
COC1=CC=NC(N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672141	1	30	-1.0	-45.21	276.72	2.23	-42.98
CCN1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672142	0	38	-1.0	-48.03	314.99	3.05	-44.98
CCN1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672142	1	38	-1.0	-48.06	315.05	3.07	-44.99
CC1=CC=C(C)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672143	0	37	-1.0	-43.88	312.20	5.84	-38.04
CC1=CC=C(C)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672143	1	37	-1.0	-43.87	312.25	5.85	-38.02
FC1(F)COC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672144	0	32	-1.0	-45.87	286.02	2.07	-43.80
FC1(F)COC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672144	1	32	-1.0	-45.87	286.08	2.08	-43.79
C1=C(CCC2=N[N-]N=N2)N=NN1C[C@H]1COCCO1	REAL250004672145	0	33	-1.0	-46.26	282.08	0.85	-45.41
C1=C(CCC2=NN=N[N-]2)N=NN1C[C@H]1COCCO1	REAL250004672145	1	33	-1.0	-46.25	282.14	0.86	-45.39
CC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672146	0	36	-1.0	-48.35	316.64	5.02	-43.33
CC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672146	1	36	-1.0	-48.34	316.70	5.04	-43.30
FC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672147	0	27	-1.0	-43.40	255.35	3.29	-40.11
FC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672147	1	27	-1.0	-43.40	255.30	3.28	-40.12
CO[C@@H]1CCCC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672148	0	38	-1.0	-43.91	308.90	3.07	-40.84
CO[C@@H]1CCCC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672148	1	38	-1.0	-43.91	308.96	3.09	-40.82
CC1=CC=C(O)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672150	0	34	-1.0	-44.18	302.45	0.61	-43.57
CC1=CC=C(O)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672150	1	34	-1.0	-44.19	302.50	0.63	-43.56
CCOC(=O)C[C@@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672151	0	37	-1.0	-55.49	324.69	1.38	-54.11
CCOC(=O)C[C@@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672151	1	37	-1.0	-55.50	324.74	1.40	-54.10
CCOC(=O)C[C@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672152	0	37	-1.0	-54.83	323.39	1.49	-53.34
CCOC(=O)C[C@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672152	1	37	-1.0	-54.86	323.45	1.50	-53.36
CC(=O)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672153	0	36	-1.0	-48.91	318.94	5.12	-43.79
CC(=O)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672153	1	36	-1.0	-48.91	319.00	5.13	-43.78
C=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCOCC1	REAL250004672154	0	39	-1.0	-43.25	317.35	3.58	-39.67
C=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCOCC1	REAL250004672154	1	39	-1.0	-43.28	317.40	3.60	-39.68
C1=C(CCC2=N[N-]N=N2)N=NN1C[C@@H]1COCCO1	REAL250004672155	0	33	-1.0	-47.43	280.79	0.95	-46.48
C1=C(CCC2=NN=N[N-]2)N=NN1C[C@@H]1COCCO1	REAL250004672155	1	33	-1.0	-47.47	280.85	0.96	-46.51
CC(N1C=C(CCC2=N[N-]N=N2)N=N1)C12CC(C1)CO2	REAL250004672156	0	36	-1.0	-48.39	295.26	2.68	-45.71
CC(N1C=C(CCC2=NN=N[N-]2)N=N1)C12CC(C1)CO2	REAL250004672156	1	36	-1.0	-48.42	295.32	2.70	-45.72
OC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672157	0	32	-1.0	-45.50	287.15	1.78	-43.72
OC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672157	1	32	-1.0	-45.51	287.21	1.79	-43.72
O=C1NCCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672158	0	38	-1.0	-48.39	302.16	1.09	-47.30
O=C1NCCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672158	1	38	-1.0	-48.41	302.22	1.10	-47.31
CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672159	0	34	-1.0	-44.17	297.54	5.30	-38.87
CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672159	1	34	-1.0	-44.16	297.60	5.32	-38.84
COC(=O)C1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672160	0	34	-1.0	-51.85	304.44	5.06	-46.79
COC(=O)C1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672160	1	34	-1.0	-51.83	304.50	5.08	-46.75
O=C1NCCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672161	0	32	-1.0	-47.77	273.64	0.09	-47.68
O=C1NCCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672161	1	32	-1.0	-47.78	273.70	0.11	-47.67
N#CC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672165	0	32	-1.0	-48.43	278.38	3.72	-44.71
N#CC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672165	1	32	-1.0	-48.48	278.44	3.74	-44.74
COC(=O)C1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672166	0	34	-1.0	-50.09	305.71	4.77	-45.32
COC(=O)C1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672166	1	34	-1.0	-50.10	305.76	4.78	-45.32
C1=C(CCC2=N[N-]N=N2)N=NN1CCCN1CCOCC1	REAL250004672169	0	40	-1.0	-44.93	326.02	0.88	-44.05
C1=C(CCC2=NN=N[N-]2)N=NN1CCCN1CCOCC1	REAL250004672169	1	40	-1.0	-44.96	326.08	0.90	-44.06
CCC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672170	0	34	-1.0	-43.02	293.82	5.57	-37.45
CCC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672170	1	34	-1.0	-42.98	293.76	5.55	-37.43
C[C@H](C1=CC=CC(F)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672172	0	34	-1.0	-44.61	296.79	4.98	-39.63
C[C@H](C1=CC=CC(F)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672172	1	34	-1.0	-44.64	296.85	5.00	-39.64
C[C@@H](C1=CC=CC(F)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672173	0	34	-1.0	-43.52	296.76	4.98	-38.54
C[C@@H](C1=CC=CC(F)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672173	1	34	-1.0	-43.54	296.82	5.00	-38.54
CC(C)C1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672174	0	37	-1.0	-42.69	311.07	6.04	-36.65
CC(C)C1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672174	1	37	-1.0	-42.67	311.13	6.06	-36.61
O[C@@H]1COC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672175	0	30	-1.0	-44.33	259.85	-2.53	-46.86
O[C@@H]1COC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672175	1	30	-1.0	-44.32	259.90	-2.51	-46.83
O[C@@H]1CCOC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672176	0	33	-1.0	-45.61	278.44	-1.67	-47.28
O[C@@H]1CCOC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672176	1	33	-1.0	-45.63	278.50	-1.65	-47.28
NC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672177	0	30	-1.0	-44.17	266.06	2.00	-42.17
NC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672177	1	30	-1.0	-44.15	266.01	1.98	-42.17
CCOC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672180	0	36	-1.0	-50.69	315.01	4.11	-46.58
CCOC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672180	1	36	-1.0	-50.72	315.06	4.13	-46.59
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1COC1	REAL250004672181	0	33	-1.0	-43.40	289.52	0.23	-43.17
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1COC1	REAL250004672181	1	33	-1.0	-43.44	289.57	0.25	-43.19
O[C@@H]1COCC[C@H]1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672182	0	33	-1.0	-45.36	278.39	-1.69	-47.05
O[C@@H]1COCC[C@H]1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672182	1	33	-1.0	-45.37	278.45	-1.68	-47.05
CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672183	0	30	-1.0	-43.10	267.58	2.97	-40.13
CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672183	1	30	-1.0	-43.11	267.53	2.96	-40.15
FC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C(Cl)=C1	REAL250004672184	0	28	-1.0	-43.17	274.38	4.87	-38.30
FC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C(Cl)=C1	REAL250004672184	1	28	-1.0	-43.15	274.44	4.88	-38.27
CC1=NN=C(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672185	0	35	-1.0	-52.81	311.20	-0.89	-53.70
CC1=NN=C(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672185	1	35	-1.0	-52.80	311.26	-0.88	-53.68
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CN2C=CC=NC2=N1	REAL250004672187	0	33	-1.0	-59.61	297.91	5.70	-53.91
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CN2C=CC=NC2=N1	REAL250004672187	1	33	-1.0	-59.57	297.96	5.72	-53.85
FC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672188	0	31	-1.0	-46.81	281.58	4.67	-42.14
FC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672188	1	31	-1.0	-46.79	281.64	4.68	-42.11
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCOCC1	REAL250004672189	0	36	-1.0	-54.56	304.03	0.81	-53.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCOCC1	REAL250004672189	1	36	-1.0	-54.57	304.08	0.83	-53.74
CC1=NOC(C)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672190	0	33	-1.0	-47.01	293.40	3.41	-43.60
CC1=NOC(C)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672190	1	33	-1.0	-47.03	293.46	3.42	-43.61
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672191	0	30	-1.0	-46.74	282.62	2.34	-44.40
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672191	1	30	-1.0	-46.74	282.68	2.35	-44.39
CC(C(=O)NC1CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672192	0	35	-1.0	-51.55	303.88	1.57	-49.98
CC(C(=O)NC1CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672192	1	35	-1.0	-51.56	303.94	1.58	-49.98
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672193	0	29	-1.0	-51.28	268.24	-2.41	-53.69
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672193	1	29	-1.0	-51.28	268.30	-2.40	-53.68
CN1C(Cl)=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672194	0	31	-1.0	-49.29	292.24	3.35	-45.94
CN1C(Cl)=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672194	1	31	-1.0	-49.28	292.30	3.37	-45.91
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672195	0	30	-1.0	-48.62	273.06	2.77	-45.85
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672195	1	30	-1.0	-48.59	273.12	2.78	-45.81
CC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672196	0	29	-1.0	-49.12	267.71	0.26	-48.86
CC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672196	1	29	-1.0	-49.18	267.77	0.27	-48.91
CC1=C(C)OC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672197	0	33	-1.0	-49.35	294.17	0.77	-48.58
CC1=C(C)OC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672197	1	33	-1.0	-49.37	294.23	0.79	-48.58
CC(C)C1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672198	0	35	-1.0	-47.02	310.01	1.49	-45.53
CC(C)C1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672198	1	35	-1.0	-47.03	310.07	1.51	-45.52
CN1C=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672199	0	31	-1.0	-49.44	278.99	2.33	-47.11
CN1C=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672199	1	31	-1.0	-49.43	279.04	2.35	-47.08
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1CCC1	REAL250004672200	0	35	-1.0	-42.06	298.87	3.05	-39.01
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1CCC1	REAL250004672200	1	35	-1.0	-42.05	298.93	3.07	-38.98
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672201	0	35	-1.0	-45.80	304.08	2.38	-43.42
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672201	1	35	-1.0	-45.78	304.13	2.39	-43.39
N#CC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672202	0	32	-1.0	-48.43	278.38	3.72	-44.71
N#CC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672202	1	32	-1.0	-48.48	278.44	3.74	-44.74
FC(F)(Cl)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672203	0	27	-1.0	-42.03	266.12	3.22	-38.81
FC(F)(Cl)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672203	1	27	-1.0	-42.03	266.18	3.23	-38.80
C1=C(CCC2=N[N-]N=N2)N=NN1CC1OCCO1	REAL250004672204	0	30	-1.0	-44.11	264.25	0.49	-43.62
C1=C(CCC2=NN=N[N-]2)N=NN1CC1OCCO1	REAL250004672204	1	30	-1.0	-44.15	264.31	0.50	-43.65
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1=CC=CC=C1	REAL250004672205	0	35	-1.0	-43.67	306.07	4.23	-39.44
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1=CC=CC=C1	REAL250004672205	1	35	-1.0	-43.69	306.12	4.24	-39.45
O=C1NCCCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672206	0	35	-1.0	-47.12	285.86	0.68	-46.44
O=C1NCCCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672206	1	35	-1.0	-47.13	285.91	0.69	-46.44
CN1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672207	0	32	-1.0	-48.61	278.30	1.42	-47.19
CN1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672207	1	32	-1.0	-48.65	278.36	1.44	-47.21
CC(C(=O)C1CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672208	0	33	-1.0	-48.10	289.50	3.69	-44.41
CC(C(=O)C1CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672208	1	33	-1.0	-48.12	289.56	3.70	-44.42
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCO1	REAL250004672209	0	35	-1.0	-44.50	291.21	2.71	-41.79
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCO1	REAL250004672209	1	35	-1.0	-44.49	291.26	2.72	-41.77
C=CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672210	0	32	-1.0	-53.84	287.96	0.70	-53.14
C=CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672210	1	32	-1.0	-53.84	288.02	0.71	-53.13
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=CC=CC=C1	REAL250004672211	0	35	-1.0	-55.96	308.98	3.04	-52.92
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=CC=CC=C1	REAL250004672211	1	35	-1.0	-55.96	309.04	3.05	-52.91
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CCCC1	REAL250004672212	0	38	-1.0	-54.47	319.81	2.24	-52.23
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CCCC1	REAL250004672212	1	38	-1.0	-54.47	319.86	2.26	-52.21
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1	REAL250004672213	0	35	-1.0	-54.47	299.26	2.53	-51.94
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1	REAL250004672213	1	35	-1.0	-54.44	299.32	2.54	-51.90
CCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672214	0	33	-1.0	-46.88	304.11	3.08	-43.80
CCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672214	1	33	-1.0	-46.85	304.17	3.10	-43.75
CCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672215	0	32	-1.0	-47.17	289.18	0.88	-46.29
CCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672215	1	32	-1.0	-47.19	289.24	0.90	-46.29
CC1=NOC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672216	0	32	-1.0	-45.56	286.48	0.73	-44.83
CC1=NOC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672216	1	32	-1.0	-45.52	286.54	0.75	-44.77
CCC1=NOC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672217	0	35	-1.0	-45.55	307.97	1.34	-44.21
CCC1=NOC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672217	1	35	-1.0	-45.52	308.03	1.36	-44.16
CCCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672218	0	35	-1.0	-46.67	310.69	1.66	-45.01
CCCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672218	1	35	-1.0	-46.69	310.75	1.68	-45.01
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NN=NN1C1CC1	REAL250004672219	0	33	-1.0	-50.67	297.16	2.27	-48.40
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NN=NN1C1CC1	REAL250004672219	1	33	-1.0	-50.65	297.22	2.28	-48.37
CC1=CC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=C1	REAL250004672220	0	40	-1.0	-44.03	329.82	6.33	-37.70
CC1=CC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=C1	REAL250004672220	1	40	-1.0	-44.04	329.88	6.35	-37.69
CCOC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672221	0	36	-1.0	-50.69	315.01	4.11	-46.58
CCOC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672221	1	36	-1.0	-50.72	315.06	4.13	-46.59
OCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672222	0	32	-1.0	-44.67	283.09	-1.46	-46.13
OCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672222	1	32	-1.0	-44.67	283.14	-1.45	-46.12
CCCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672223	0	40	-1.0	-43.92	340.52	6.85	-37.07
CCCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672223	1	40	-1.0	-43.89	340.57	6.86	-37.03
CC(C)NC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672224	0	39	-1.0	-52.84	333.96	0.29	-52.55
CC(C)NC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672224	1	39	-1.0	-52.87	334.02	0.30	-52.57
CCOCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672225	0	38	-1.0	-53.88	330.61	0.20	-53.68
CCOCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672225	1	38	-1.0	-53.87	330.67	0.21	-53.66
CC(C)CSCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672226	0	40	-1.0	-45.18	344.19	5.88	-39.30
CC(C)CSCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672226	1	40	-1.0	-45.16	344.25	5.90	-39.26
COCCSCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672227	0	38	-1.0	-45.81	337.56	3.58	-42.23
COCCSCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672227	1	38	-1.0	-45.78	337.61	3.59	-42.19
CC(C)(C)SCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672228	0	40	-1.0	-45.30	338.75	5.61	-39.69
CC(C)(C)SCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672228	1	40	-1.0	-45.28	338.81	5.62	-39.66
ClC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672229	0	30	-1.0	-45.20	285.22	3.20	-42.00
ClC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672229	1	30	-1.0	-45.20	285.28	3.22	-41.98
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672230	0	35	-1.0	-54.88	299.53	2.66	-52.22
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672230	1	35	-1.0	-54.88	299.59	2.68	-52.20
C=CCN1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672231	0	36	-1.0	-48.81	313.39	2.99	-45.82
C=CCN1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672231	1	36	-1.0	-48.84	313.45	3.01	-45.83
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCCC1	REAL250004672232	0	38	-1.0	-53.85	312.89	3.26	-50.59
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCCC1	REAL250004672232	1	38	-1.0	-53.88	312.95	3.27	-50.61
CCOC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672233	0	33	-1.0	-43.68	288.98	3.02	-40.66
CCOC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672233	1	33	-1.0	-43.71	289.03	3.04	-40.67
CCSCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672234	0	31	-1.0	-41.96	282.39	3.73	-38.23
CCSCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672234	1	31	-1.0	-41.95	282.44	3.74	-38.21
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1OCCO1	REAL250004672235	0	33	-1.0	-45.71	285.25	1.28	-44.43
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1OCCO1	REAL250004672235	1	33	-1.0	-45.69	285.31	1.30	-44.39
FC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC(F)=C1	REAL250004672236	0	31	-1.0	-45.22	288.95	4.76	-40.46
FC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC(F)=C1	REAL250004672236	1	31	-1.0	-45.26	289.01	4.78	-40.48
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004672237	0	31	-1.0	-44.30	288.13	4.74	-39.56
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004672237	1	31	-1.0	-44.31	288.19	4.75	-39.56
FC1=CC=C(F)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672238	0	31	-1.0	-44.02	288.10	4.73	-39.29
FC1=CC=C(F)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672238	1	31	-1.0	-44.03	288.16	4.74	-39.29
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1OCCCO1	REAL250004672239	0	36	-1.0	-46.44	303.41	2.18	-44.26
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1OCCCO1	REAL250004672239	1	36	-1.0	-46.46	303.47	2.20	-44.26
CON(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672240	0	32	-1.0	-51.10	285.36	1.11	-49.99
CON(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672240	1	32	-1.0	-51.08	285.42	1.13	-49.95
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CC=N1	REAL250004672241	0	30	-1.0	-47.39	270.80	2.82	-44.57
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CC=N1	REAL250004672241	1	30	-1.0	-47.40	270.86	2.84	-44.56
COCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672242	0	35	-1.0	-43.68	305.34	0.92	-42.76
COCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672242	1	35	-1.0	-43.70	305.40	0.93	-42.77
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1=CC=CC=C1	REAL250004672243	0	38	-1.0	-43.33	331.62	4.70	-38.63
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1=CC=CC=C1	REAL250004672243	1	38	-1.0	-43.33	331.68	4.71	-38.62
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1CCCCO1	REAL250004672244	0	39	-1.0	-43.68	324.76	3.04	-40.64
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1CCCCO1	REAL250004672244	1	39	-1.0	-43.69	324.81	3.05	-40.64
COC(=O)CCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672245	0	36	-1.0	-46.07	314.64	3.98	-42.09
COC(=O)CCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672245	1	36	-1.0	-46.06	314.70	3.99	-42.07
OCCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672246	0	37	-1.0	-44.95	313.60	1.38	-43.57
OCCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672246	1	37	-1.0	-44.92	313.66	1.40	-43.52
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=C1	REAL250004672247	0	37	-1.0	-44.06	311.78	5.85	-38.21
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=C1	REAL250004672247	1	37	-1.0	-44.10	311.83	5.87	-38.23
CCCC(C(=O)OCC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672248	0	39	-1.0	-43.59	329.80	4.64	-38.95
CCCC(C(=O)OCC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672248	1	39	-1.0	-43.61	329.86	4.66	-38.95
CCC(C(=O)OC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672249	0	33	-1.0	-43.29	283.28	2.82	-40.47
CCC(C(=O)OC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672249	1	33	-1.0	-43.26	283.34	2.84	-40.42
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672250	0	31	-1.0	-44.45	292.86	5.15	-39.30
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672250	1	31	-1.0	-44.49	292.92	5.16	-39.33
CCOC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672251	0	33	-1.0	-43.68	288.98	3.02	-40.66
CCOC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672251	1	33	-1.0	-43.71	289.03	3.04	-40.67
C1=C(CCC2=N[N-]N=N2)N=NN1CCCCC1=CC=CC=C1	REAL250004672252	0	40	-1.0	-43.96	340.59	6.97	-36.99
C1=C(CCC2=NN=N[N-]2)N=NN1CCCCC1=CC=CC=C1	REAL250004672252	1	40	-1.0	-43.93	340.65	6.98	-36.95
CCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672253	0	37	-1.0	-44.07	319.02	6.07	-38.00
CCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672253	1	37	-1.0	-44.03	319.08	6.08	-37.95
CC(C(=O)OC(C)(C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672254	0	39	-1.0	-46.55	324.19	4.37	-42.18
CC(C(=O)OC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672254	1	39	-1.0	-46.53	324.25	4.39	-42.14
CCCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672255	0	37	-1.0	-41.97	314.71	3.24	-38.73
CCCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672255	1	37	-1.0	-41.96	314.77	3.25	-38.71
CC1=CC=C(F)C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672256	0	34	-1.0	-44.21	297.17	5.23	-38.98
CC1=CC=C(F)C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672256	1	34	-1.0	-44.26	297.23	5.24	-39.02
OCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672257	0	34	-1.0	-46.25	292.10	0.61	-45.64
OCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672257	1	34	-1.0	-46.27	292.16	0.63	-45.64
N#CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=C1F	REAL250004672258	0	32	-1.0	-50.25	302.89	5.05	-45.20
N#CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=C1F	REAL250004672258	1	32	-1.0	-50.21	302.95	5.07	-45.14
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004672259	0	31	-1.0	-44.30	288.13	4.74	-39.56
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004672259	1	31	-1.0	-44.31	288.19	4.75	-39.56
COC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672260	0	35	-1.0	-45.90	305.63	3.93	-41.97
COC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672260	1	35	-1.0	-45.90	305.69	3.94	-41.96
OCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672261	0	34	-1.0	-46.25	292.10	0.61	-45.64
OCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672261	1	34	-1.0	-46.27	292.16	0.63	-45.64
C1=CC(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672262	0	34	-1.0	-45.00	309.08	5.12	-39.88
C1=CC(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672262	1	34	-1.0	-44.98	309.13	5.13	-39.85
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1CCOCC1	REAL250004672263	0	41	-1.0	-44.14	331.01	3.97	-40.17
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1CCOCC1	REAL250004672263	1	41	-1.0	-44.15	331.07	3.99	-40.16
COC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=C1C	REAL250004672264	0	38	-1.0	-45.42	325.71	4.67	-40.75
COC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=C1C	REAL250004672264	1	38	-1.0	-45.42	325.76	4.69	-40.73
CC1=C(C)SC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672265	0	33	-1.0	-47.24	303.05	3.12	-44.12
CC1=C(C)SC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672265	1	33	-1.0	-47.27	303.11	3.14	-44.13
CN1N=CC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672266	0	34	-1.0	-45.17	297.86	2.97	-42.20
CN1N=CC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672266	1	34	-1.0	-45.16	297.92	2.98	-42.18
CC(C1=CC=CC(C#N)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672267	0	35	-1.0	-45.89	311.19	5.30	-40.59
CC(C1=CC=CC(C#N)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672267	1	35	-1.0	-45.89	311.25	5.31	-40.58
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)ON=C1C1CC1	REAL250004672268	0	34	-1.0	-47.65	303.23	4.30	-43.35
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)ON=C1C1CC1	REAL250004672268	1	34	-1.0	-47.66	303.28	4.31	-43.35
CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672269	0	31	-1.0	-54.57	271.44	1.21	-53.36
CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672269	1	31	-1.0	-54.58	271.50	1.23	-53.35
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672270	0	34	-1.0	-44.31	297.53	5.30	-39.01
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672270	1	34	-1.0	-44.29	297.59	5.32	-38.97
CC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672271	0	34	-1.0	-54.37	295.78	0.95	-53.42
CC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672271	1	34	-1.0	-54.38	295.84	0.96	-53.42
CCC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672272	0	37	-1.0	-54.19	316.41	1.91	-52.28
CCC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672272	1	37	-1.0	-54.20	316.47	1.93	-52.27
CCN(CC)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672273	0	37	-1.0	-53.62	313.21	3.13	-50.49
CCN(CC)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672273	1	37	-1.0	-53.61	313.27	3.15	-50.46
CCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672274	0	37	-1.0	-54.01	318.15	1.68	-52.33
CCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672274	1	37	-1.0	-54.00	318.21	1.70	-52.30
COCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672275	0	38	-1.0	-54.49	330.33	-0.03	-54.52
COCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672275	1	38	-1.0	-54.52	330.38	-0.01	-54.53
CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672276	0	31	-1.0	-54.25	275.16	0.15	-54.10
CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672276	1	31	-1.0	-54.25	275.21	0.16	-54.09
CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672277	0	34	-1.0	-54.15	296.65	0.91	-53.24
CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672277	1	34	-1.0	-54.17	296.71	0.93	-53.24
COC(=O)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672278	0	34	-1.0	-52.94	308.49	0.26	-52.68
COC(=O)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672278	1	34	-1.0	-52.96	308.54	0.28	-52.68
O=C1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC=C1O	REAL250004672279	0	31	-1.0	-57.92	287.55	0.65	-57.27
O=C1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC=C1O	REAL250004672279	1	31	-1.0	-57.89	287.61	0.66	-57.23
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1C	REAL250004672280	0	37	-1.0	-44.43	314.54	5.83	-38.60
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1C	REAL250004672280	1	37	-1.0	-44.44	314.60	5.85	-38.59
CCCCC(C(=O)OC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672281	0	39	-1.0	-43.16	326.35	4.38	-38.78
CCCCC(C(=O)OC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672281	1	39	-1.0	-43.16	326.40	4.39	-38.77
CC(C)(C)OC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672282	0	36	-1.0	-49.50	304.43	3.81	-45.69
CC(C)(C)OC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672282	1	36	-1.0	-49.48	304.49	3.82	-45.66
FC1=CC=CC(F)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672283	0	31	-1.0	-44.95	286.75	4.67	-40.28
FC1=CC=CC(F)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672283	1	31	-1.0	-44.95	286.80	4.68	-40.27
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1F	REAL250004672284	0	31	-1.0	-46.31	288.85	4.75	-41.56
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1F	REAL250004672284	1	31	-1.0	-46.34	288.90	4.76	-41.58
CCOC(=O)CCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672285	0	39	-1.0	-45.89	336.51	4.89	-41.00
CCOC(=O)CCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672285	1	39	-1.0	-45.89	336.56	4.91	-40.98
COC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672286	0	33	-1.0	-50.93	293.15	3.20	-47.73
COC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672286	1	33	-1.0	-50.89	293.20	3.21	-47.68
C1=C(CCC2=N[N-]N=N2)N=NN1C1CCCC2=CC=CC=C21	REAL250004672287	0	38	-1.0	-42.13	312.77	6.14	-35.99
C1=C(CCC2=NN=N[N-]2)N=NN1C1CCCC2=CC=CC=C21	REAL250004672287	1	38	-1.0	-42.12	312.82	6.15	-35.97
O=C1CCCN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672288	0	35	-1.0	-47.55	302.25	2.72	-44.83
O=C1CCCN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672288	1	35	-1.0	-47.58	302.30	2.73	-44.85
O=C1CNC(=O)N1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672289	0	33	-1.0	-50.81	297.61	-0.43	-51.24
O=C1CNC(=O)N1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672289	1	33	-1.0	-50.83	297.66	-0.42	-51.25
O=C1CCC(=O)N1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672290	0	34	-1.0	-50.66	302.94	2.10	-48.56
O=C1CCC(=O)N1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672290	1	34	-1.0	-50.64	303.00	2.11	-48.53
NC(=O)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672291	0	35	-1.0	-50.61	310.69	1.40	-49.21
NC(=O)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672291	1	35	-1.0	-50.58	310.74	1.42	-49.16
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCOCC1	REAL250004672292	0	35	-1.0	-43.75	290.19	2.64	-41.11
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCOCC1	REAL250004672292	1	35	-1.0	-43.80	290.25	2.65	-41.15
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672293	0	30	-1.0	-48.62	273.06	2.77	-45.85
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672293	1	30	-1.0	-48.59	273.12	2.78	-45.81
N#CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1F	REAL250004672294	0	32	-1.0	-52.63	301.90	5.00	-47.63
N#CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1F	REAL250004672294	1	32	-1.0	-52.64	301.95	5.02	-47.62
CC1=CC(C#N)=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672295	0	35	-1.0	-46.79	311.52	5.55	-41.24
CC1=CC(C#N)=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672295	1	35	-1.0	-46.78	311.57	5.56	-41.22
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=C1C#N	REAL250004672296	0	35	-1.0	-47.11	316.15	5.53	-41.58
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=C1C#N	REAL250004672296	1	35	-1.0	-47.14	316.20	5.55	-41.59
N#CCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672297	0	35	-1.0	-48.40	318.37	5.80	-42.60
N#CCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672297	1	35	-1.0	-48.46	318.43	5.82	-42.64
CC1=CC=C(C)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672298	0	37	-1.0	-43.88	312.20	5.84	-38.04
CC1=CC=C(C)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672298	1	37	-1.0	-43.87	312.25	5.85	-38.02
COC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672299	0	30	-1.0	-44.13	267.11	2.09	-42.04
COC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672299	1	30	-1.0	-44.11	267.17	2.11	-42.00
C(=CC1=CC=CC=C1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672300	0	35	-1.0	-45.12	307.17	5.93	-39.19
C(=CC1=CC=CC=C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672300	1	35	-1.0	-45.14	307.23	5.94	-39.20
CC(C)OCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672301	0	34	-1.0	-42.16	291.99	2.40	-39.76
CC(C)OCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672301	1	34	-1.0	-42.18	292.04	2.41	-39.77
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC(C)=C1	REAL250004672302	0	37	-1.0	-44.31	318.94	5.95	-38.36
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC(C)=C1	REAL250004672302	1	37	-1.0	-44.32	319.00	5.97	-38.35
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCC1	REAL250004672303	0	37	-1.0	-43.48	299.10	5.05	-38.43
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCC1	REAL250004672303	1	37	-1.0	-43.44	299.16	5.06	-38.38
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004672304	0	30	-1.0	-46.04	271.00	2.87	-43.17
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004672304	1	30	-1.0	-46.07	271.06	2.88	-43.19
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CN2C=CC=CC2=N1	REAL250004672305	0	34	-1.0	-53.14	303.08	5.14	-48.00
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CN2C=CC=CC2=N1	REAL250004672305	1	34	-1.0	-53.16	303.13	5.16	-48.00
CN1C=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672306	0	31	-1.0	-50.89	275.80	2.98	-47.91
CN1C=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672306	1	31	-1.0	-50.89	275.86	2.99	-47.90
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CC=N1	REAL250004672307	0	30	-1.0	-47.39	270.80	2.82	-44.57
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CC=N1	REAL250004672307	1	30	-1.0	-47.40	270.86	2.84	-44.56
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CN=C1	REAL250004672308	0	30	-1.0	-46.10	271.01	2.87	-43.23
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CN=C1	REAL250004672308	1	30	-1.0	-46.11	270.95	2.85	-43.26
FC(F)N1C=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672309	0	31	-1.0	-46.99	285.50	2.98	-44.01
FC(F)N1C=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672309	1	31	-1.0	-46.99	285.55	2.99	-44.00
CC(C1=CC=CC=C1F)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672310	0	34	-1.0	-44.25	295.43	4.95	-39.30
CC(C1=CC=CC=C1F)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672310	1	34	-1.0	-44.20	295.49	4.96	-39.24
CCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672311	0	34	-1.0	-54.68	293.25	2.22	-52.46
CCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672311	1	34	-1.0	-54.66	293.31	2.24	-52.42
FC(F)(F)CCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672312	0	33	-1.0	-44.28	298.81	4.33	-39.95
FC(F)(F)CCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672312	1	33	-1.0	-44.30	298.87	4.34	-39.96
CC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL250004672313	0	43	-1.0	-42.26	329.85	6.03	-36.23
CC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL250004672313	1	43	-1.0	-42.27	329.90	6.05	-36.22
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1CCOCC1	REAL250004672314	0	39	-1.0	-42.89	324.81	1.93	-40.96
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1CCOCC1	REAL250004672314	1	39	-1.0	-42.91	324.87	1.95	-40.96
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CC=CC=N1	REAL250004672315	0	33	-1.0	-44.80	291.78	3.63	-41.17
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CC=CC=N1	REAL250004672315	1	33	-1.0	-44.81	291.84	3.64	-41.17
CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672316	0	33	-1.0	-47.74	292.41	3.43	-44.31
CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672316	1	33	-1.0	-47.69	292.47	3.45	-44.24
CC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672317	0	33	-1.0	-44.93	288.14	3.31	-41.62
CC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672317	1	33	-1.0	-44.92	288.20	3.32	-41.60
COCC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672318	0	38	-1.0	-44.89	331.19	4.35	-40.54
COCC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672318	1	38	-1.0	-44.88	331.25	4.37	-40.51
C1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672319	0	31	-1.0	-45.55	278.07	4.22	-41.33
C1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672319	1	31	-1.0	-45.57	278.13	4.23	-41.34
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC2=C(C=C1)CCC2	REAL250004672320	0	38	-1.0	-44.67	321.68	6.55	-38.12
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC2=C(C=C1)CCC2	REAL250004672320	1	38	-1.0	-44.67	321.74	6.56	-38.11
CC(C)N(C)C(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672321	0	40	-1.0	-51.75	323.14	3.00	-48.75
CC(C)N(C)C(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672321	1	40	-1.0	-51.74	323.20	3.02	-48.72
CC1=CC=CC=C1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672322	0	40	-1.0	-45.20	335.80	6.71	-38.49
CC1=CC=CC=C1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672322	1	40	-1.0	-45.17	335.86	6.73	-38.44
CC1=CC=C(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672323	0	40	-1.0	-45.23	340.50	6.87	-38.36
CC1=CC=C(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672323	1	40	-1.0	-45.26	340.56	6.88	-38.38
CC1=CC=CC(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672324	0	40	-1.0	-45.23	340.50	6.85	-38.38
CC1=CC=CC(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672324	1	40	-1.0	-45.21	340.56	6.87	-38.34
COC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672325	0	38	-1.0	-42.72	328.78	4.53	-38.19
COC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672325	1	38	-1.0	-42.71	328.84	4.54	-38.17
CC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672326	0	34	-1.0	-43.91	290.78	5.17	-38.74
CC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672326	1	34	-1.0	-43.94	290.84	5.18	-38.76
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N1C	REAL250004672327	0	33	-1.0	-51.14	291.24	3.47	-47.67
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N1C	REAL250004672327	1	33	-1.0	-51.14	291.30	3.49	-47.65
CN1C=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC1=O	REAL250004672328	0	34	-1.0	-54.96	301.06	3.43	-51.53
CN1C=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC1=O	REAL250004672328	1	34	-1.0	-54.94	301.12	3.45	-51.49
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCOC1	REAL250004672329	0	35	-1.0	-45.73	286.07	2.54	-43.19
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCOC1	REAL250004672329	1	35	-1.0	-45.71	286.13	2.55	-43.16
COC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=N1	REAL250004672330	0	33	-1.0	-51.92	298.06	-0.02	-51.94
COC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=N1	REAL250004672330	1	33	-1.0	-51.89	298.12	-0.01	-51.90
CC(C)(C)OCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672331	0	43	-1.0	-43.63	349.01	4.34	-39.29
CC(C)(C)OCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672331	1	43	-1.0	-43.62	349.07	4.35	-39.27
FC1=CC=CC2=C1CCC2N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672332	0	35	-1.0	-41.57	305.04	5.65	-35.92
FC1=CC=CC2=C1CCC2N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672332	1	35	-1.0	-41.55	305.10	5.66	-35.89
FC1=CC=C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2=C1	REAL250004672333	0	35	-1.0	-43.21	305.06	5.65	-37.56
FC1=CC=C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2=C1	REAL250004672333	1	35	-1.0	-43.22	305.12	5.66	-37.56
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=CC=CC=N1	REAL250004672334	0	34	-1.0	-60.66	305.30	2.75	-57.91
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=CC=CC=N1	REAL250004672334	1	34	-1.0	-60.67	305.24	2.73	-57.94
FC1(F)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672335	0	37	-1.0	-44.32	310.22	5.17	-39.15
FC1(F)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672335	1	37	-1.0	-44.37	310.28	5.18	-39.19
NC(=O)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672336	0	29	-1.0	-66.65	267.30	-1.91	-68.56
NC(=O)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672336	1	29	-1.0	-66.63	267.35	-1.90	-68.53
CC1=CC=CC(OCCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672337	0	38	-1.0	-43.68	327.48	4.90	-38.78
CC1=CC=CC(OCCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672337	1	38	-1.0	-43.69	327.53	4.92	-38.77
CN1C=CC=C1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672338	0	34	-1.0	-52.52	299.96	4.08	-48.44
CN1C=CC=C1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672338	1	34	-1.0	-52.54	300.02	4.10	-48.44
CC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672339	0	34	-1.0	-43.91	290.78	5.17	-38.74
CC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672339	1	34	-1.0	-43.94	290.84	5.18	-38.76
CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672340	0	34	-1.0	-44.17	297.54	5.30	-38.87
CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672340	1	34	-1.0	-44.16	297.60	5.32	-38.84
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC(C)=C1	REAL250004672341	0	37	-1.0	-44.31	318.94	5.95	-38.36
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC(C)=C1	REAL250004672341	1	37	-1.0	-44.32	319.00	5.97	-38.35
CC(C1=CC=C(F)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672342	0	34	-1.0	-43.70	296.78	4.98	-38.72
CC(C1=CC=C(F)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672342	1	34	-1.0	-43.74	296.84	5.00	-38.74
CC(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672343	0	34	-1.0	-42.94	290.35	4.91	-38.03
CC(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672343	1	34	-1.0	-42.93	290.41	4.93	-38.00
C(=CC1=CC=CC=C1)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672344	0	38	-1.0	-44.04	328.64	6.70	-37.34
C(=CC1=CC=CC=C1)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672344	1	38	-1.0	-44.03	328.70	6.72	-37.31
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=C(C2CC2)C=C1	REAL250004672345	0	38	-1.0	-44.34	325.34	6.74	-37.60
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=C(C2CC2)C=C1	REAL250004672345	1	38	-1.0	-44.32	325.40	6.75	-37.57
N#CC1=CC=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672346	0	35	-1.0	-46.26	318.45	5.80	-40.46
N#CC1=CC=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672346	1	35	-1.0	-46.23	318.51	5.82	-40.41
CC1=CN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672347	0	33	-1.0	-45.36	292.33	0.67	-44.69
CC1=CN=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672347	1	33	-1.0	-45.40	292.38	0.69	-44.71
O=S1(=O)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672348	0	34	-1.0	-56.52	301.38	0.33	-56.19
O=S1(=O)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672348	1	34	-1.0	-56.54	301.44	0.35	-56.19
CC1CCCC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672349	0	43	-1.0	-42.66	332.18	5.95	-36.71
CC1CCCC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672349	1	43	-1.0	-42.66	332.24	5.96	-36.70
CCC1=CC=CC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672350	0	40	-1.0	-42.62	331.82	6.53	-36.09
CCC1=CC=CC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672350	1	40	-1.0	-42.66	331.88	6.54	-36.12
CC1=NN(C)C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672351	0	34	-1.0	-49.15	298.48	2.99	-46.16
CC1=NN(C)C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672351	1	34	-1.0	-49.18	298.54	3.00	-46.18
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1=CC=NC=C1	REAL250004672352	0	36	-1.0	-47.45	313.97	4.42	-43.03
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1=CC=NC=C1	REAL250004672352	1	36	-1.0	-47.46	314.03	4.44	-43.02
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCCCC1	REAL250004672353	0	43	-1.0	-42.52	329.46	5.98	-36.54
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCCCC1	REAL250004672353	1	43	-1.0	-42.56	329.52	6.00	-36.56
ClC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672354	0	30	-1.0	-45.71	287.78	3.37	-42.34
ClC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672354	1	30	-1.0	-45.72	287.73	3.35	-42.37
ClC1=CN=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672355	0	30	-1.0	-46.56	284.18	3.27	-43.29
ClC1=CN=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672355	1	30	-1.0	-46.55	284.23	3.29	-43.26
CC1=CN=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672356	0	33	-1.0	-45.80	285.69	3.40	-42.40
CC1=CN=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672356	1	33	-1.0	-45.84	285.75	3.42	-42.42
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672357	0	30	-1.0	-47.00	287.57	3.31	-43.69
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672357	1	30	-1.0	-46.99	287.62	3.33	-43.66
CC(=O)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672358	0	36	-1.0	-48.91	318.94	5.12	-43.79
CC(=O)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672358	1	36	-1.0	-48.91	319.00	5.13	-43.78
CC1=NN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672359	0	32	-1.0	-47.26	296.10	1.91	-45.35
CC1=NN=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672359	1	32	-1.0	-47.29	296.16	1.93	-45.36
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672360	0	30	-1.0	-47.00	287.57	3.31	-43.69
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672360	1	30	-1.0	-46.99	287.62	3.33	-43.66
CC(C)C(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672361	0	40	-1.0	-53.75	328.17	2.14	-51.61
CC(C)C(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672361	1	40	-1.0	-53.80	328.23	2.16	-51.64
FC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672362	0	31	-1.0	-44.82	282.55	4.71	-40.11
FC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672362	1	31	-1.0	-44.83	282.60	4.72	-40.11
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672363	0	31	-1.0	-45.10	282.54	4.70	-40.40
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672363	1	31	-1.0	-45.09	282.60	4.71	-40.38
FC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672364	0	31	-1.0	-46.81	281.58	4.67	-42.14
FC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672364	1	31	-1.0	-46.79	281.64	4.68	-42.11
CC(C)(C)OC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672365	0	36	-1.0	-49.50	304.43	3.81	-45.69
CC(C)(C)OC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672365	1	36	-1.0	-49.48	304.49	3.82	-45.66
CC(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672366	0	34	-1.0	-42.94	290.35	4.91	-38.03
CC(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672366	1	34	-1.0	-42.93	290.41	4.93	-38.00
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCNC1=O	REAL250004672367	0	33	-1.0	-51.37	291.11	-0.50	-51.87
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCNC1=O	REAL250004672367	1	33	-1.0	-51.38	291.16	-0.49	-51.87
N#CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672368	0	32	-1.0	-47.12	297.00	5.02	-42.10
N#CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672368	1	32	-1.0	-47.14	297.05	5.04	-42.10
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC1	REAL250004672369	0	32	-1.0	-55.70	282.92	1.83	-53.87
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC1	REAL250004672369	1	32	-1.0	-55.71	282.97	1.85	-53.86
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1CCCC1	REAL250004672370	0	41	-1.0	-41.89	337.08	4.39	-37.50
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1CCCC1	REAL250004672370	1	41	-1.0	-41.93	337.14	4.41	-37.52
CC1(C)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672371	0	43	-1.0	-43.10	328.98	5.80	-37.30
CC1(C)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672371	1	43	-1.0	-43.10	329.04	5.82	-37.28
CC1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCO1	REAL250004672372	0	38	-1.0	-43.85	300.31	3.02	-40.83
CC1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCO1	REAL250004672372	1	38	-1.0	-43.84	300.37	3.03	-40.81
CC1=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)SC=N1	REAL250004672373	0	33	-1.0	-44.19	301.56	3.16	-41.03
CC1=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)SC=N1	REAL250004672373	1	33	-1.0	-44.15	301.62	3.17	-40.98
CCN1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC1=O	REAL250004672374	0	36	-1.0	-59.49	312.50	2.54	-56.95
CCN1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC1=O	REAL250004672374	1	36	-1.0	-59.50	312.56	2.55	-56.95
CC1=NC=CN1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672375	0	37	-1.0	-51.25	319.35	4.77	-46.48
CC1=NC=CN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672375	1	37	-1.0	-51.28	319.41	4.79	-46.49
C1=C2CCCCN2N=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672376	0	38	-1.0	-49.49	320.71	3.95	-45.54
C1=C2CCCCN2N=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672376	1	38	-1.0	-49.50	320.77	3.97	-45.53
COC(=O)CC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672377	0	37	-1.0	-42.55	317.78	4.37	-38.18
COC(=O)CC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672377	1	37	-1.0	-42.54	317.84	4.38	-38.16
OC(CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672378	0	38	-1.0	-44.96	326.20	3.07	-41.89
OC(CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672378	1	38	-1.0	-45.01	326.26	3.08	-41.93
COC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL250004672379	0	41	-1.0	-42.77	329.95	3.86	-38.91
COC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL250004672379	1	41	-1.0	-42.75	330.00	3.87	-38.88
CC(=O)C1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672380	0	32	-1.0	-48.73	297.14	2.69	-46.04
CC(=O)C1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672380	1	32	-1.0	-48.72	297.20	2.70	-46.02
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2CC2C1	REAL250004672381	0	35	-1.0	-43.68	291.91	5.03	-38.65
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2CC2C1	REAL250004672381	1	35	-1.0	-43.65	291.96	5.04	-38.61
OC1CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672382	0	38	-1.0	-43.47	304.90	1.66	-41.81
OC1CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672382	1	38	-1.0	-43.45	304.96	1.67	-41.78
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2CCC1O2	REAL250004672383	0	36	-1.0	-44.96	288.92	2.68	-42.28
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2CCC1O2	REAL250004672383	1	36	-1.0	-45.00	288.98	2.70	-42.30
CCC1=NC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672384	0	36	-1.0	-47.08	315.26	1.54	-45.54
CCC1=NC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672384	1	36	-1.0	-47.07	315.31	1.56	-45.51
FC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672385	0	31	-1.0	-44.82	282.55	4.71	-40.11
FC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672385	1	31	-1.0	-44.83	282.60	4.72	-40.11
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC2=CC=CC=C2O1	REAL250004672386	0	33	-1.0	-51.32	298.46	1.62	-49.70
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC2=CC=CC=C2O1	REAL250004672386	1	33	-1.0	-51.31	298.52	1.64	-49.67
N#CC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672387	0	32	-1.0	-50.39	293.41	4.80	-45.59
N#CC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672387	1	32	-1.0	-50.44	293.46	4.81	-45.63
CCOC(=O)C(CC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672388	0	36	-1.0	-42.83	305.15	3.75	-39.08
CCOC(=O)C(CC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672388	1	36	-1.0	-42.83	305.20	3.77	-39.06
CC1=NC=CN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672389	0	34	-1.0	-45.60	297.85	4.00	-41.60
CC1=NC=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672389	1	34	-1.0	-45.62	297.91	4.02	-41.60
FC(F)(F)COCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672390	0	31	-1.0	-43.52	291.29	2.12	-41.40
FC(F)(F)COCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672390	1	31	-1.0	-43.53	291.34	2.13	-41.40
CC(C1=CC=CC=C1F)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672391	0	34	-1.0	-44.25	295.43	4.95	-39.30
CC(C1=CC=CC=C1F)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672391	1	34	-1.0	-44.20	295.49	4.96	-39.24
CC1=NN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672392	0	32	-1.0	-47.43	287.02	-1.93	-49.36
CC1=NN=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672392	1	32	-1.0	-47.40	287.08	-1.91	-49.31
CC(CCC1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672393	0	40	-1.0	-44.32	334.66	6.58	-37.74
CC(CCC1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672393	1	40	-1.0	-44.31	334.72	6.60	-37.71
CC(C)CCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672394	0	40	-1.0	-41.86	332.28	3.75	-38.11
CC(C)CCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672394	1	40	-1.0	-41.85	332.33	3.76	-38.09
CC(C1=CC=C(F)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672395	0	34	-1.0	-43.70	296.78	4.98	-38.72
CC(C1=CC=C(F)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672395	1	34	-1.0	-43.74	296.84	5.00	-38.74
CC(C1=CC=CC(F)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672396	0	34	-1.0	-44.36	296.79	4.98	-39.38
CC(C1=CC=CC(F)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672396	1	34	-1.0	-44.34	296.85	5.00	-39.34
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NN=C(C2CC2)O1	REAL250004672397	0	33	-1.0	-50.97	299.63	-0.77	-51.74
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NN=C(C2CC2)O1	REAL250004672397	1	33	-1.0	-51.06	299.69	-0.76	-51.82
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672398	0	35	-1.0	-54.88	299.53	2.66	-52.22
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672398	1	35	-1.0	-54.88	299.59	2.68	-52.20
CN(C)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672399	0	39	-1.0	-45.35	327.23	5.02	-40.33
CN(C)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672399	1	39	-1.0	-45.34	327.28	5.03	-40.31
CN(C)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672400	0	39	-1.0	-45.35	327.23	5.02	-40.33
CN(C)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672400	1	39	-1.0	-45.34	327.28	5.03	-40.31
O=C1OCCN1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672401	0	36	-1.0	-53.86	313.99	2.51	-51.35
O=C1OCCN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672401	1	36	-1.0	-53.86	314.04	2.53	-51.33
CN1N=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)NC1=O	REAL250004672402	1	31	-1.0	-53.91	282.19	0.70	-53.21
CN1N=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)NC1=O	REAL250004672402	1	31	-1.0	-53.93	282.25	0.71	-53.22
CC1=C(C)NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672403	0	34	-1.0	-50.46	297.22	2.47	-47.99
CC1=C(C)NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672403	1	34	-1.0	-50.47	297.28	2.48	-47.99
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672404	0	29	-1.0	-50.49	277.32	1.42	-49.07
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672404	1	29	-1.0	-50.49	277.38	1.44	-49.05
CCC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672405	0	32	-1.0	-50.10	298.80	2.18	-47.92
CCC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672405	1	32	-1.0	-50.11	298.86	2.19	-47.92
CCC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N1	REAL250004672406	0	33	-1.0	-53.98	293.59	2.56	-51.42
CCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672406	1	33	-1.0	-48.70	294.18	2.17	-46.53
CCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672406	1	33	-1.0	-48.68	294.23	2.19	-46.49
CCC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N1	REAL250004672406	1	33	-1.0	-54.01	293.65	2.58	-51.43
FC1=CN=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672407	0	30	-1.0	-47.72	276.63	2.90	-44.82
FC1=CN=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672407	1	30	-1.0	-47.74	276.69	2.91	-44.83
CN(C)C1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672408	0	38	-1.0	-47.07	324.72	4.45	-42.62
CN(C)C1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672408	1	38	-1.0	-47.10	324.78	4.47	-42.63
CC1OCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672409	0	35	-1.0	-43.47	284.96	2.22	-41.25
CC1OCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672409	1	35	-1.0	-43.49	285.02	2.24	-41.25
CC1(C)CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672410	0	43	-1.0	-42.83	325.83	5.63	-37.20
CC1(C)CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672410	1	43	-1.0	-42.80	325.89	5.65	-37.15
CC(C1=NC=CC(N)=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672411	0	34	-1.0	-46.14	299.42	1.08	-45.06
CC(C1=NC=CC(N)=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672411	1	34	-1.0	-46.15	299.47	1.09	-45.06
FC(F)COCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672412	0	31	-1.0	-45.31	284.73	1.97	-43.34
FC(F)COCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672412	1	31	-1.0	-45.31	284.78	1.99	-43.32
CC1=NC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672413	0	32	-1.0	-45.81	286.49	0.51	-45.30
CC1=NC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672413	1	32	-1.0	-45.79	286.54	0.52	-45.27
CN1C=NC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672414	0	34	-1.0	-46.01	298.14	4.53	-41.48
CN1C=NC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672414	1	34	-1.0	-46.00	298.20	4.54	-41.46
CN(C)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672415	0	39	-1.0	-45.24	327.26	5.02	-40.22
CN(C)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672415	1	39	-1.0	-45.21	327.32	5.04	-40.17
COC1=CC=C(C)C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672416	0	38	-1.0	-45.74	325.83	4.65	-41.09
COC1=CC=C(C)C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672416	1	38	-1.0	-45.76	325.88	4.66	-41.10
C1=C(CCC2=N[N-]N=N2)N=NN1CCCOC1=CC=CC=C1	REAL250004672417	0	38	-1.0	-47.02	327.57	4.99	-42.03
C1=C(CCC2=NN=N[N-]2)N=NN1CCCOC1=CC=CC=C1	REAL250004672417	1	38	-1.0	-47.03	327.62	5.01	-42.02
NC1=NC(N)=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672418	0	32	-1.0	-48.47	291.47	2.04	-46.43
NC1=NC(N)=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672418	1	32	-1.0	-48.47	291.52	2.05	-46.42
CC(C1=CC=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672419	0	33	-1.0	-46.60	286.13	3.19	-43.41
CC(C1=CC=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672419	1	33	-1.0	-46.59	286.19	3.20	-43.39
CC(C)(C)OCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672420	0	37	-1.0	-42.17	306.02	2.79	-39.38
CC(C)(C)OCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672420	1	37	-1.0	-42.16	306.07	2.81	-39.35
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C(C)S1	REAL250004672421	0	34	-1.0	-43.72	304.77	5.09	-38.63
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C(C)S1	REAL250004672421	1	34	-1.0	-43.71	304.83	5.11	-38.60
CC(C1=CC=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672422	0	33	-1.0	-46.60	286.13	3.19	-43.41
CC(C1=CC=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672422	1	33	-1.0	-46.59	286.19	3.20	-43.39
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCC1	REAL250004672423	0	37	-1.0	-42.66	302.79	5.03	-37.63
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCC1	REAL250004672423	1	37	-1.0	-42.64	302.85	5.04	-37.60
CCC(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672424	0	37	-1.0	-41.87	308.35	5.69	-36.18
CCC(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672424	1	37	-1.0	-41.86	308.41	5.71	-36.15
O=C1C=CC=CN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672425	0	34	-1.0	-54.54	301.40	3.72	-50.82
O=C1C=CC=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672425	1	34	-1.0	-54.51	301.46	3.73	-50.78
CC1=NON=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672426	0	29	-1.0	-53.16	268.36	1.21	-51.95
CC1=NON=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672426	1	29	-1.0	-53.16	268.41	1.22	-51.94
O=C1OC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC12CC2	REAL250004672427	0	35	-1.0	-57.07	306.27	4.33	-52.74
O=C1OC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC12CC2	REAL250004672427	1	35	-1.0	-57.07	306.32	4.34	-52.73
C1=C2C=CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)=CC2=NN1	REAL250004672428	0	34	-1.0	-50.86	302.38	3.34	-47.52
C1=C2C=CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)=CC2=NN1	REAL250004672428	1	34	-1.0	-50.85	302.43	3.36	-47.49
CC(C)N1N=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672429	0	36	-1.0	-47.35	313.92	4.43	-42.92
CC(C)N1N=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672429	1	36	-1.0	-47.38	313.97	4.44	-42.94
CCCN1N=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672430	0	36	-1.0	-47.66	307.76	4.47	-43.19
CCCN1N=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672430	1	36	-1.0	-47.67	307.81	4.48	-43.19
NC1=NC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672431	0	32	-1.0	-46.36	282.23	1.71	-44.65
NC1=NC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672431	1	32	-1.0	-46.39	282.28	1.72	-44.67
NC1=CC=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672432	0	31	-1.0	-47.96	281.29	0.61	-47.35
NC1=CC=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672432	1	31	-1.0	-47.96	281.34	0.62	-47.34
CC1=NC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672433	0	32	-1.0	-46.28	283.08	1.43	-44.85
CC1=NC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672433	1	32	-1.0	-46.27	283.14	1.44	-44.83
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672434	0	30	-1.0	-49.24	272.73	1.54	-47.70
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672434	1	30	-1.0	-49.21	272.79	1.56	-47.65
CCOC1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672435	0	38	-1.0	-43.36	319.49	3.61	-39.75
CCOC1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672435	1	38	-1.0	-43.35	319.55	3.63	-39.72
FCCN1N=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672436	0	33	-1.0	-47.66	292.85	3.84	-43.82
FCCN1N=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672436	1	33	-1.0	-47.64	292.91	3.86	-43.78
COC1(CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL250004672437	0	38	-1.0	-42.52	310.61	3.08	-39.44
COC1(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL250004672437	1	38	-1.0	-42.51	310.66	3.09	-39.42
COC1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672438	0	35	-1.0	-43.38	297.56	2.64	-40.74
COC1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672438	1	35	-1.0	-43.42	297.61	2.65	-40.77
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SN=N1	REAL250004672439	0	26	-1.0	-47.98	254.88	1.27	-46.71
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SN=N1	REAL250004672439	1	26	-1.0	-47.97	254.94	1.28	-46.69
CC(C1=NN=CN1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672440	0	33	-1.0	-50.68	289.21	4.04	-46.64
CC(C1=NN=CN1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672440	1	33	-1.0	-50.71	289.27	4.05	-46.66
COC1=CC=NC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672441	0	34	-1.0	-47.14	299.70	2.21	-44.93
COC1=CC=NC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672441	1	34	-1.0	-47.14	299.76	2.23	-44.91
COC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672442	0	34	-1.0	-47.28	300.62	2.13	-45.15
COC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672442	1	34	-1.0	-47.30	300.56	2.12	-45.18
CN1N=NC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672443	0	30	-1.0	-51.93	270.51	0.97	-50.96
CN1N=NC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672443	1	30	-1.0	-51.94	270.57	0.99	-50.95
CC(C)C1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N1	REAL250004672444	0	36	-1.0	-53.62	312.87	3.14	-50.48
CC(C)C1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N1	REAL250004672444	1	36	-1.0	-53.62	312.93	3.15	-50.47
FC1(F)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672445	0	34	-1.0	-47.25	294.64	4.49	-42.76
FC1(F)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672445	1	34	-1.0	-47.25	294.70	4.50	-42.75
CS(C)(=O)=NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672446	0	33	-1.0	-68.76	302.84	-0.76	-69.52
CS(C)(=O)=NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672446	1	33	-1.0	-68.79	302.90	-0.75	-69.54
CCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672447	0	36	-1.0	-47.12	313.75	4.23	-42.89
CCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672447	1	36	-1.0	-47.12	313.80	4.24	-42.88
O=C1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCN1	REAL250004672448	0	38	-1.0	-49.88	310.84	1.77	-48.11
O=C1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCN1	REAL250004672448	1	38	-1.0	-49.87	310.90	1.79	-48.08
CCN1N=C(C)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672449	0	36	-1.0	-47.18	315.29	2.22	-44.96
CCN1N=C(C)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672449	1	36	-1.0	-47.24	315.35	2.23	-45.01
CCC1=NOC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672450	0	33	-1.0	-48.31	293.46	3.37	-44.94
CCC1=NOC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672450	1	33	-1.0	-48.31	293.51	3.38	-44.93
CC1=NSC(C)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672451	0	33	-1.0	-46.76	296.73	3.46	-43.30
CC1=NSC(C)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672451	1	33	-1.0	-46.73	296.79	3.48	-43.25
CCCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672452	0	40	-1.0	-54.03	339.65	2.46	-51.57
CCCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672452	1	40	-1.0	-54.03	339.71	2.48	-51.55
CC(C1=CC=CN=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672453	0	33	-1.0	-45.58	285.49	3.13	-42.45
CC(C1=CC=CN=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672453	1	33	-1.0	-45.59	285.43	3.12	-42.47
CCC(C(N)=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672454	0	31	-1.0	-41.28	269.87	-1.12	-42.40
CCC(C(N)=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672454	1	31	-1.0	-41.29	269.92	-1.11	-42.40
CN1N=NN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672455	0	29	-1.0	-55.83	265.40	0.62	-55.21
CN1N=NN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672455	1	29	-1.0	-55.78	265.45	0.63	-55.15
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCOCC1	REAL250004672456	0	35	-1.0	-43.75	290.19	2.64	-41.11
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCOCC1	REAL250004672456	1	35	-1.0	-43.80	290.25	2.65	-41.15
ClC1=NC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672457	0	27	-1.0	-45.52	278.02	2.41	-43.11
ClC1=NC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672457	1	27	-1.0	-45.52	277.97	2.39	-43.13
CC(C)SCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672458	0	34	-1.0	-41.87	300.66	4.36	-37.51
CC(C)SCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672458	1	34	-1.0	-41.87	300.72	4.37	-37.50
CC(C)C1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672459	0	35	-1.0	-50.60	310.55	-1.05	-51.65
CC(C)C1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672459	1	35	-1.0	-50.59	310.60	-1.04	-51.63
CC1=NN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=C1	REAL250004672460	0	37	-1.0	-43.97	320.27	3.67	-40.30
CC1=NN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=C1	REAL250004672460	1	37	-1.0	-43.99	320.33	3.69	-40.30
C1=NN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672461	0	30	-1.0	-46.52	273.40	4.07	-42.45
C1=NN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672461	1	30	-1.0	-46.55	273.34	4.06	-42.49
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CC=CN=C1	REAL250004672462	0	33	-1.0	-44.54	292.48	3.64	-40.90
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CC=CN=C1	REAL250004672462	1	33	-1.0	-44.53	292.43	3.62	-40.91
CS(=O)(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672463	0	33	-1.0	-58.36	301.32	-0.06	-58.42
CS(=O)(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672463	1	33	-1.0	-58.37	301.38	-0.05	-58.42
CCOC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672464	0	38	-1.0	-44.30	321.44	4.04	-40.26
CCOC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672464	1	38	-1.0	-44.33	321.50	4.06	-40.27
CN1C=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672465	0	31	-1.0	-50.89	275.80	2.98	-47.91
CN1C=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672465	1	31	-1.0	-50.89	275.86	2.99	-47.90
CCN1N=NC(C)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672466	0	36	-1.0	-50.06	312.95	2.39	-47.67
CCN1N=NC(C)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672466	1	36	-1.0	-50.07	313.01	2.40	-47.67
C1=C2CCCN2N=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672467	0	35	-1.0	-50.98	302.65	3.14	-47.84
C1=C2CCCN2N=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672467	1	35	-1.0	-50.94	302.71	3.15	-47.79
C1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672468	0	31	-1.0	-44.92	278.64	2.62	-42.30
C1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672468	1	31	-1.0	-44.93	278.58	2.60	-42.33
CN(C)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672469	0	38	-1.0	-47.97	325.26	4.45	-43.52
CN(C)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672469	1	38	-1.0	-47.92	325.32	4.47	-43.45
CC(C1=CSN=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672470	0	29	-1.0	-49.11	271.01	1.46	-47.65
CC(C1=CSN=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672470	1	29	-1.0	-49.14	271.06	1.47	-47.67
OC1(CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL250004672471	0	35	-1.0	-44.66	293.54	1.27	-43.39
OC1(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL250004672471	1	35	-1.0	-44.67	293.59	1.28	-43.39
COC1=NSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672472	0	31	-1.0	-46.75	293.45	0.55	-46.20
COC1=NSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672472	1	31	-1.0	-46.75	293.51	0.57	-46.18
CN1C=NC=C1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672473	0	37	-1.0	-51.13	318.87	5.30	-45.83
CN1C=NC=C1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672473	1	37	-1.0	-51.12	318.92	5.31	-45.81
CC1=NC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672474	0	33	-1.0	-47.05	291.51	1.93	-45.12
CC1=NC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672474	1	33	-1.0	-47.06	291.56	1.94	-45.12
CC1=NN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)N1	REAL250004672474	1	33	-1.0	-51.66	289.35	2.43	-49.23
COC(CC(C)C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672475	0	40	-1.0	-45.58	323.83	3.62	-41.96
COC(CC(C)C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672475	1	40	-1.0	-45.59	323.88	3.63	-41.96
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1CCC1	REAL250004672476	0	38	-1.0	-41.95	319.95	3.77	-38.18
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1CCC1	REAL250004672476	1	38	-1.0	-41.96	320.01	3.78	-38.18
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC2CC2C1	REAL250004672477	0	38	-1.0	-43.25	302.34	5.54	-37.71
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC2CC2C1	REAL250004672477	1	38	-1.0	-43.25	302.40	5.56	-37.69
CC(C)(CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672478	0	40	-1.0	-42.72	316.62	5.30	-37.42
CC(C)(CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672478	1	40	-1.0	-42.74	316.68	5.32	-37.42
CCC(CC(F)F)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672479	0	36	-1.0	-44.77	297.68	4.42	-40.35
CCC(CC(F)F)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672479	1	36	-1.0	-44.76	297.73	4.44	-40.32
CCC1=NN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)N1	REAL250004672480	0	36	-1.0	-51.47	310.81	3.06	-48.41
CCC1=NN=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)N1	REAL250004672480	1	36	-1.0	-51.46	310.86	3.07	-48.39
CCC1=NC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672480	1	36	-1.0	-46.25	313.00	2.55	-43.70
CCC1=NC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672480	1	36	-1.0	-46.25	313.05	2.56	-43.69
COC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCOC1	REAL250004672481	0	39	-1.0	-45.12	318.11	1.53	-43.59
COC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCOC1	REAL250004672481	1	39	-1.0	-45.12	318.16	1.54	-43.58
COC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC1	REAL250004672482	0	38	-1.0	-42.09	311.88	3.94	-38.15
COC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL250004672482	1	38	-1.0	-42.07	311.94	3.95	-38.12
FC1(F)CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672483	0	37	-1.0	-41.72	308.65	5.10	-36.62
FC1(F)CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672483	1	37	-1.0	-41.73	308.70	5.11	-36.62
CC(C(=O)N(C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672484	0	34	-1.0	-43.64	288.38	1.55	-42.09
CC(C(=O)N(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672484	1	34	-1.0	-43.69	288.44	1.56	-42.13
ClC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=NS1	REAL250004672485	0	26	-1.0	-44.48	271.03	1.58	-42.90
ClC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=NS1	REAL250004672485	1	26	-1.0	-44.50	271.09	1.60	-42.90
COC1=CC=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672486	0	34	-1.0	-47.60	300.56	2.14	-45.46
COC1=CC=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672486	1	34	-1.0	-47.62	300.62	2.15	-45.47
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC1	REAL250004672487	0	38	-1.0	-53.95	323.39	2.20	-51.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC1	REAL250004672487	1	38	-1.0	-53.89	323.45	2.22	-51.67
CCC1=NN=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672488	0	35	-1.0	-47.04	308.50	-1.17	-48.21
CCC1=NN=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672488	1	35	-1.0	-47.08	308.56	-1.16	-48.24
CC(C1=CC=NC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672489	0	33	-1.0	-44.54	285.83	3.18	-41.36
CC(C1=CC=NC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672489	1	33	-1.0	-44.54	285.89	3.19	-41.35
C1=C(CCC2=N[N-]N=N2)N=NN1CCN1CCOCC1	REAL250004672490	0	37	-1.0	-43.60	304.53	0.10	-43.50
C1=C(CCC2=NN=N[N-]2)N=NN1CCN1CCOCC1	REAL250004672490	1	37	-1.0	-43.57	304.58	0.11	-43.46
CC1=CC=CC(C)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672491	0	37	-1.0	-43.91	308.41	5.68	-38.23
CC1=CC=CC(C)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672491	1	37	-1.0	-43.88	308.46	5.69	-38.19
C=CCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672492	0	37	-1.0	-43.40	314.99	5.29	-38.11
C=CCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672492	1	37	-1.0	-43.38	315.05	5.30	-38.08
O=C1CC[C@@H](CN2C=C(CCC3=N[N-]N=N3)N=N2)N1	REAL250004672493	0	32	-1.0	-52.85	276.98	0.45	-52.40
O=C1CC[C@@H](CN2C=C(CCC3=NN=N[N-]3)N=N2)N1	REAL250004672493	1	32	-1.0	-52.86	277.04	0.46	-52.40
ClC1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672494	0	31	-1.0	-44.07	295.70	3.13	-40.94
ClC1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672494	1	31	-1.0	-44.06	295.65	3.11	-40.95
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1F	REAL250004672495	0	34	-1.0	-44.95	302.85	5.34	-39.61
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1F	REAL250004672495	1	34	-1.0	-44.96	302.91	5.35	-39.61
OCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672496	0	35	-1.0	-46.24	308.94	1.96	-44.28
OCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672496	1	35	-1.0	-46.24	309.00	1.97	-44.27
CC1=CC=C(C)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672497	0	37	-1.0	-43.88	312.20	5.84	-38.04
CC1=CC=C(C)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672497	1	37	-1.0	-43.87	312.25	5.85	-38.02
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=C1	REAL250004672498	0	37	-1.0	-44.06	311.78	5.85	-38.21
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=C1	REAL250004672498	1	37	-1.0	-44.10	311.83	5.87	-38.23
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NN1C	REAL250004672499	0	34	-1.0	-49.39	298.47	2.78	-46.61
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NN1C	REAL250004672499	1	34	-1.0	-49.39	298.53	2.80	-46.59
N#CC1=CC=C(F)C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672500	0	32	-1.0	-48.88	299.88	4.86	-44.02
N#CC1=CC=C(F)C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672500	1	32	-1.0	-48.88	299.94	4.88	-44.00
CC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672501	0	33	-1.0	-44.93	288.14	3.31	-41.62
CC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672501	1	33	-1.0	-44.92	288.20	3.32	-41.60
COCC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672502	0	33	-1.0	-51.96	301.37	-0.76	-52.72
COCC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672502	1	33	-1.0	-51.94	301.43	-0.75	-52.69
CN1C=NC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672503	0	31	-1.0	-49.70	275.91	3.75	-45.95
CN1C=NC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672503	1	31	-1.0	-49.70	275.97	3.76	-45.94
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCOCC1	REAL250004672504	0	38	-1.0	-44.68	309.52	3.19	-41.49
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCOCC1	REAL250004672504	1	38	-1.0	-44.68	309.57	3.20	-41.48
OCC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)COC1	REAL250004672505	0	33	-1.0	-46.84	279.23	-0.73	-47.57
OCC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)COC1	REAL250004672505	1	33	-1.0	-46.82	279.29	-0.71	-47.53
CC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SC=N1	REAL250004672506	0	30	-1.0	-45.49	279.15	2.38	-43.11
CC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SC=N1	REAL250004672506	1	30	-1.0	-45.46	279.21	2.40	-43.06
CC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672507	0	30	-1.0	-47.27	273.06	2.81	-44.46
CC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672507	1	30	-1.0	-47.30	273.12	2.83	-44.47
O=C1N=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)NN1	REAL250004672508	1	28	-1.0	-66.94	259.30	-1.74	-68.68
C1=NN2C(=N1)CCC2CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672509	0	34	-1.0	-58.33	292.57	4.46	-53.87
C1=NN2C(=N1)CCC2CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672509	1	34	-1.0	-58.34	292.62	4.47	-53.87
CC1=CC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=N1	REAL250004672510	0	39	-1.0	-46.26	325.53	4.49	-41.77
CC1=CC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=N1	REAL250004672510	1	39	-1.0	-46.28	325.59	4.51	-41.77
CC1(C)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC1	REAL250004672511	0	41	-1.0	-44.26	327.98	3.82	-40.44
CC1(C)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC1	REAL250004672511	1	41	-1.0	-44.29	328.04	3.84	-40.45
CC1=CON=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672512	0	30	-1.0	-45.73	272.95	2.63	-43.10
CC1=CON=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672512	1	30	-1.0	-45.72	273.01	2.64	-43.08
ClC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SC=N1	REAL250004672513	0	27	-1.0	-47.04	276.53	2.25	-44.79
ClC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SC=N1	REAL250004672513	1	27	-1.0	-47.03	276.47	2.24	-44.79
CCOC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672514	0	30	-1.0	-50.33	271.38	2.69	-47.64
CCOC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672514	1	30	-1.0	-50.34	271.44	2.70	-47.64
COC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672515	0	33	-1.0	-50.93	293.15	3.20	-47.73
COC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672515	1	33	-1.0	-50.89	293.20	3.21	-47.68
CC1=NOC(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672516	0	35	-1.0	-50.69	310.67	1.78	-48.91
CC1=NOC(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672516	1	35	-1.0	-50.70	310.72	1.80	-48.90
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCOCC1	REAL250004672517	0	35	-1.0	-43.75	290.19	2.64	-41.11
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCOCC1	REAL250004672517	1	35	-1.0	-43.80	290.25	2.65	-41.15
CC(C)(C#N)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672518	0	37	-1.0	-46.15	313.70	4.47	-41.68
CC(C)(C#N)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672518	1	37	-1.0	-46.12	313.76	4.48	-41.64
CC1(C)OCC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672519	0	39	-1.0	-43.06	327.66	2.76	-40.30
CC1(C)OCC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672519	1	39	-1.0	-43.01	327.72	2.78	-40.23
COCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672520	0	35	-1.0	-43.68	305.34	0.92	-42.76
COCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672520	1	35	-1.0	-43.70	305.40	0.93	-42.77
FC1=CC=CC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672521	0	34	-1.0	-45.22	303.17	5.45	-39.77
FC1=CC=CC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672521	1	34	-1.0	-45.20	303.22	5.47	-39.73
CS(=O)(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672522	0	33	-1.0	-58.36	301.32	-0.06	-58.42
CS(=O)(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672522	1	33	-1.0	-58.37	301.38	-0.05	-58.42
ClC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672523	0	31	-1.0	-45.45	288.72	5.05	-40.40
ClC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672523	1	31	-1.0	-45.45	288.77	5.07	-40.38
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672524	0	31	-1.0	-44.45	292.86	5.15	-39.30
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672524	1	31	-1.0	-44.49	292.92	5.16	-39.33
CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672525	0	31	-1.0	-54.57	271.44	1.21	-53.36
CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672525	1	31	-1.0	-54.58	271.50	1.23	-53.35
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672526	0	31	-1.0	-45.10	282.54	4.70	-40.40
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672526	1	31	-1.0	-45.09	282.60	4.71	-40.38
N#CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672527	0	32	-1.0	-47.12	297.00	5.02	-42.10
N#CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672527	1	32	-1.0	-47.14	297.05	5.04	-42.10
OCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672528	0	32	-1.0	-44.67	283.09	-1.46	-46.13
OCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672528	1	32	-1.0	-44.67	283.14	-1.45	-46.12
CC(C)(O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672529	0	34	-1.0	-42.90	286.08	0.39	-42.51
CC(C)(O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672529	1	34	-1.0	-42.88	286.14	0.41	-42.47
CC(C)(C)OCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672530	0	37	-1.0	-42.17	306.02	2.79	-39.38
CC(C)(C)OCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672530	1	37	-1.0	-42.16	306.07	2.81	-39.35
CC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672531	0	35	-1.0	-47.37	293.30	2.79	-44.58
CC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672531	1	35	-1.0	-47.37	293.36	2.80	-44.57
O=C1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672532	0	31	-1.0	-53.75	275.28	2.89	-50.86
O=C1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672532	1	31	-1.0	-53.74	275.34	2.91	-50.83
CC(C)(C)SCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672533	0	37	-1.0	-41.79	317.25	4.83	-36.96
CC(C)(C)SCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672533	1	37	-1.0	-41.80	317.31	4.84	-36.96
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2(CCC2)CO1	REAL250004672534	0	39	-1.0	-47.01	319.50	3.87	-43.14
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2(CCC2)CO1	REAL250004672534	1	39	-1.0	-47.03	319.56	3.89	-43.14
CC1(C)COC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672535	0	38	-1.0	-46.85	312.30	3.16	-43.69
CC1(C)COC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672535	1	38	-1.0	-46.83	312.35	3.18	-43.65
CNC(=O)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672536	0	32	-1.0	-66.88	289.23	-0.50	-67.38
CNC(=O)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672536	1	32	-1.0	-66.83	289.28	-0.49	-67.32
CCNC(=O)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672537	0	35	-1.0	-66.14	310.71	0.34	-65.80
CCNC(=O)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672537	1	35	-1.0	-66.16	310.77	0.36	-65.80
CC(C(=O)NC(C)(C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672538	0	40	-1.0	-51.16	327.60	2.01	-49.15
CC(C(=O)NC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672538	1	40	-1.0	-51.15	327.66	2.02	-49.13
C=CCNC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672539	0	35	-1.0	-50.62	306.58	1.24	-49.38
C=CCNC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672539	1	35	-1.0	-50.64	306.64	1.26	-49.38
CC(C)CNC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672540	0	40	-1.0	-50.71	334.15	2.20	-48.51
CC(C)CNC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672540	1	40	-1.0	-50.72	334.21	2.22	-48.50
CCCNC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672541	0	37	-1.0	-51.05	315.26	1.47	-49.58
CCCNC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672541	1	37	-1.0	-51.01	315.31	1.48	-49.53
FC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1F	REAL250004672542	0	31	-1.0	-49.87	287.85	4.71	-45.16
FC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1F	REAL250004672542	1	31	-1.0	-49.88	287.91	4.72	-45.16
CC(C)N1C=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672543	0	37	-1.0	-49.15	319.20	3.71	-45.44
CC(C)N1C=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672543	1	37	-1.0	-49.16	319.26	3.73	-45.43
COC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672544	0	34	-1.0	-48.39	303.01	1.31	-47.08
COC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672544	1	34	-1.0	-48.43	303.07	1.33	-47.10
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NC=N1	REAL250004672545	0	32	-1.0	-48.51	287.42	3.23	-45.28
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NC=N1	REAL250004672545	1	32	-1.0	-48.54	287.47	3.25	-45.29
CC1=NON=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672546	0	29	-1.0	-53.16	268.36	1.21	-51.95
CC1=NON=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672546	1	29	-1.0	-53.16	268.41	1.22	-51.94
CC(C)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672547	0	38	-1.0	-46.43	316.36	3.00	-43.43
CC(C)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672547	1	38	-1.0	-46.43	316.42	3.01	-43.42
CCC1=CC=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672548	0	40	-1.0	-42.82	340.49	6.85	-35.97
CCC1=CC=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672548	1	40	-1.0	-42.79	340.54	6.87	-35.92
C1=CSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672549	0	27	-1.0	-46.69	260.92	1.76	-44.93
C1=CSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672549	1	27	-1.0	-46.70	260.97	1.78	-44.92
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC2=C(C=C1)CCC2	REAL250004672550	0	38	-1.0	-44.67	321.68	6.55	-38.12
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC2=C(C=C1)CCC2	REAL250004672550	1	38	-1.0	-44.67	321.74	6.56	-38.11
CCCC(C(=O)OCC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672551	0	39	-1.0	-43.59	329.80	4.64	-38.95
CCCC(C(=O)OCC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672551	1	39	-1.0	-43.61	329.86	4.66	-38.95
O=C1C(N2C=C(CCC3=N[N-]N=N3)N=N2)CCN1C1CC1	REAL250004672552	0	36	-1.0	-47.72	305.06	3.04	-44.68
O=C1C(N2C=C(CCC3=NN=N[N-]3)N=N2)CCN1C1CC1	REAL250004672552	1	36	-1.0	-47.75	305.11	3.05	-44.70
CCCCOC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672553	0	39	-1.0	-43.36	331.97	4.59	-38.77
CCCCOC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672553	1	39	-1.0	-43.39	332.03	4.61	-38.78
FCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672554	0	33	-1.0	-45.35	287.27	4.08	-41.27
FCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672554	1	33	-1.0	-45.36	287.33	4.10	-41.26
BrCC=CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672555	0	25	-1.0	-44.43	250.54	3.37	-41.06
BrCC=CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672555	1	25	-1.0	-44.46	250.59	3.38	-41.08
CCC(C)(C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672556	0	39	-1.0	-42.44	307.14	4.55	-37.89
CCC(C)(C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672556	1	39	-1.0	-42.44	307.20	4.57	-37.87
CC(C)(C)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672557	0	39	-1.0	-42.89	314.41	4.85	-38.04
CC(C)(C)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672557	1	39	-1.0	-42.94	314.47	4.87	-38.07
CC1=NC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672558	0	30	-1.0	-45.79	282.83	2.59	-43.20
CC1=NC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672558	1	30	-1.0	-45.82	282.89	2.61	-43.21
CCCOC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672559	0	36	-1.0	-43.54	310.47	3.81	-39.73
CCCOC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672559	1	36	-1.0	-43.53	310.53	3.83	-39.70
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CO1	REAL250004672560	0	30	-1.0	-48.81	273.51	-0.02	-48.83
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CO1	REAL250004672560	1	30	-1.0	-48.83	273.57	-0.01	-48.84
CC1=NOC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672561	0	30	-1.0	-48.40	271.97	2.63	-45.77
CC1=NOC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672561	1	30	-1.0	-48.41	272.03	2.64	-45.77
CC1=NC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672562	0	33	-1.0	-46.90	285.44	3.37	-43.53
CC1=NC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672562	1	33	-1.0	-46.88	285.50	3.38	-43.50
O=C1NCCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672563	0	32	-1.0	-47.77	273.64	0.09	-47.68
O=C1NCCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672563	1	32	-1.0	-47.78	273.70	0.11	-47.67
CN1N=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672564	0	30	-1.0	-47.92	271.83	2.87	-45.05
CN1N=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672564	1	30	-1.0	-47.90	271.89	2.89	-45.01
CC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SN=N1	REAL250004672565	0	29	-1.0	-47.71	274.80	1.78	-45.93
CC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SN=N1	REAL250004672565	1	29	-1.0	-47.69	274.86	1.80	-45.89
CC1=CC=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672566	0	32	-1.0	-47.83	287.78	2.46	-45.37
CC1=CC=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672566	1	32	-1.0	-47.81	287.84	2.47	-45.34
NC1=CC=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672567	0	31	-1.0	-47.96	281.29	0.61	-47.35
NC1=CC=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672567	1	31	-1.0	-47.96	281.34	0.62	-47.34
N#CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672568	0	31	-1.0	-49.22	292.00	3.18	-46.04
N#CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672568	1	31	-1.0	-49.23	292.06	3.19	-46.04
O=C1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=CN1	REAL250004672569	0	31	-1.0	-54.42	280.80	1.54	-52.88
O=C1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=CN1	REAL250004672569	1	31	-1.0	-54.46	280.86	1.55	-52.91
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2CCCC2O1	REAL250004672570	0	39	-1.0	-45.83	315.74	3.75	-42.08
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2CCCC2O1	REAL250004672570	1	39	-1.0	-45.82	315.80	3.76	-42.06
CC(C)(C)OCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672571	0	41	-1.0	-49.29	338.26	0.45	-48.84
CC(C)(C)OCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672571	1	41	-1.0	-49.31	338.32	0.47	-48.84
CC(C)COCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672572	0	41	-1.0	-49.41	345.56	0.82	-48.59
CC(C)COCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672572	1	41	-1.0	-49.40	345.62	0.83	-48.57
CC(C)OCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672573	0	38	-1.0	-49.52	324.23	0.07	-49.45
CC(C)OCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672573	1	38	-1.0	-49.51	324.29	0.09	-49.42
OC1CCCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672574	0	35	-1.0	-46.73	278.67	0.96	-45.77
OC1CCCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672574	1	35	-1.0	-46.72	278.73	0.98	-45.74
CNC(=O)NC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672575	0	35	-1.0	-62.50	307.84	0.10	-62.40
CNC(=O)NC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672575	1	35	-1.0	-62.54	307.90	0.11	-62.43
CCCCOC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672576	0	36	-1.0	-49.94	314.38	4.26	-45.68
CCCCOC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672576	1	36	-1.0	-49.98	314.43	4.28	-45.70
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1=CC=CC=C1	REAL250004672577	0	37	-1.0	-45.17	319.09	6.19	-38.98
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1=CC=CC=C1	REAL250004672577	1	37	-1.0	-45.14	319.14	6.20	-38.94
COC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672578	0	35	-1.0	-45.59	305.64	3.94	-41.65
COC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672578	1	35	-1.0	-45.61	305.70	3.95	-41.66
CC(C(=O)NC(N)=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672579	0	32	-1.0	-62.42	285.91	-1.30	-63.72
CC(C(=O)NC(N)=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672579	1	32	-1.0	-62.38	285.97	-1.29	-63.67
CC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672580	0	30	-1.0	-47.27	273.06	2.81	-44.46
CC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672580	1	30	-1.0	-47.30	273.12	2.83	-44.47
NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672581	0	35	-1.0	-51.50	310.67	1.41	-50.09
NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672581	1	35	-1.0	-51.48	310.73	1.43	-50.05
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672582	0	29	-1.0	-47.94	267.71	0.12	-47.82
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672582	1	29	-1.0	-47.91	267.76	0.13	-47.78
C[Si](C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672583	0	33	-1.0	-45.75	289.65	6.08	-39.67
C[Si](C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672583	1	33	-1.0	-45.74	289.71	6.10	-39.64
N#CC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672584	0	32	-1.0	-47.12	297.00	5.02	-42.10
N#CC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672584	1	32	-1.0	-47.14	297.05	5.04	-42.10
ClC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672585	0	30	-1.0	-45.20	285.22	3.20	-42.00
ClC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672585	1	30	-1.0	-45.20	285.28	3.22	-41.98
CN1C=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672586	0	31	-1.0	-50.12	278.17	3.90	-46.22
CN1C=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672586	1	31	-1.0	-50.10	278.23	3.92	-46.18
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672587	0	31	-1.0	-49.57	291.69	3.21	-46.36
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672587	1	31	-1.0	-49.59	291.74	3.23	-46.36
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672588	0	29	-1.0	-50.49	277.32	1.42	-49.07
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672588	1	29	-1.0	-50.49	277.38	1.44	-49.05
C1=CN(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672589	0	34	-1.0	-51.11	299.58	4.98	-46.13
C1=CN(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672589	1	34	-1.0	-51.13	299.63	4.99	-46.14
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1	REAL250004672590	0	35	-1.0	-54.47	299.26	2.53	-51.94
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1	REAL250004672590	1	35	-1.0	-54.44	299.32	2.54	-51.90
CN1N=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672591	0	29	-1.0	-49.32	267.74	0.37	-48.95
CN1N=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672591	1	29	-1.0	-49.33	267.79	0.38	-48.95
COC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672592	0	31	-1.0	-48.21	284.07	0.23	-47.98
COC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672592	1	31	-1.0	-48.19	284.12	0.24	-47.95
CC(C)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672593	0	40	-1.0	-43.95	336.36	6.56	-37.39
CC(C)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672593	1	40	-1.0	-43.94	336.41	6.57	-37.37
CC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=NO1	REAL250004672594	0	30	-1.0	-46.30	271.29	2.85	-43.45
CC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=NO1	REAL250004672594	1	30	-1.0	-46.31	271.35	2.87	-43.44
CN1C=NN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672595	0	30	-1.0	-50.73	271.41	3.69	-47.04
CN1C=NN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672595	1	30	-1.0	-50.75	271.47	3.71	-47.04
CCC1=NOC(C)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672596	0	36	-1.0	-46.86	314.91	4.15	-42.71
CCC1=NOC(C)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672596	1	36	-1.0	-46.86	314.97	4.16	-42.70
CC1=CN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672597	0	30	-1.0	-48.77	273.55	0.20	-48.57
CC1=CN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672597	1	30	-1.0	-48.76	273.60	0.21	-48.55
CC1=NC(C)=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672598	0	33	-1.0	-45.59	301.09	3.10	-42.49
CC1=NC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672598	1	33	-1.0	-45.60	301.15	3.12	-42.48
C1=NSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672599	0	27	-1.0	-45.63	260.93	2.45	-43.18
C1=NSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672599	1	27	-1.0	-45.65	260.99	2.47	-43.18
C1=NSN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672600	0	26	-1.0	-47.79	253.79	0.56	-47.23
C1=NSN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672600	1	26	-1.0	-47.79	253.85	0.58	-47.21
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1C#N	REAL250004672601	0	35	-1.0	-47.10	316.14	5.52	-41.58
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1C#N	REAL250004672601	1	35	-1.0	-47.13	316.20	5.54	-41.59
ClC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SC=C1	REAL250004672602	0	28	-1.0	-43.94	281.63	4.17	-39.77
ClC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SC=C1	REAL250004672602	1	28	-1.0	-43.93	281.69	4.19	-39.74
CN1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=N1	REAL250004672603	0	30	-1.0	-54.02	272.93	1.14	-52.88
CN1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=N1	REAL250004672603	1	30	-1.0	-54.00	272.98	1.15	-52.85
CCC1=CN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672604	0	33	-1.0	-48.29	295.02	0.97	-47.32
CCC1=CN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672604	1	33	-1.0	-48.27	295.08	0.99	-47.28
CN1N=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1Cl	REAL250004672605	0	31	-1.0	-47.24	295.14	2.68	-44.56
CN1N=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1Cl	REAL250004672605	1	31	-1.0	-47.24	295.20	2.69	-44.55
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)SN=N1	REAL250004672606	0	26	-1.0	-47.98	254.88	1.27	-46.71
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)SN=N1	REAL250004672606	1	26	-1.0	-47.97	254.94	1.28	-46.69
CN1N=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672607	0	30	-1.0	-49.08	272.99	0.82	-48.26
CN1N=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672607	1	30	-1.0	-49.14	273.05	0.83	-48.31
CN1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672608	0	31	-1.0	-48.79	279.01	2.45	-46.34
CN1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672608	1	31	-1.0	-48.79	278.95	2.43	-46.36
FCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672609	0	34	-1.0	-45.00	304.11	5.45	-39.55
FCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672609	1	34	-1.0	-44.99	304.17	5.46	-39.53
COC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672610	0	34	-1.0	-46.78	303.22	1.35	-45.43
COC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672610	1	34	-1.0	-46.78	303.27	1.36	-45.42
COCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672611	0	37	-1.0	-45.25	314.36	3.02	-42.23
COCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672611	1	37	-1.0	-45.29	314.41	3.03	-42.26
NS(=O)(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672612	0	32	-1.0	-57.21	294.55	-2.62	-59.83
NS(=O)(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672612	1	32	-1.0	-57.17	294.61	-2.60	-59.77
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672613	0	29	-1.0	-47.04	278.14	3.33	-43.71
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672613	1	29	-1.0	-47.04	278.19	3.34	-43.70
CC(C1=CC=C(C#N)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672614	0	35	-1.0	-45.95	311.12	5.29	-40.66
CC(C1=CC=C(C#N)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672614	1	35	-1.0	-45.93	311.18	5.31	-40.62
CCC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672615	0	37	-1.0	-44.07	319.02	6.07	-38.00
CCC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672615	1	37	-1.0	-44.03	319.08	6.08	-37.95
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1CC1	REAL250004672616	0	35	-1.0	-42.17	303.38	3.24	-38.93
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1CC1	REAL250004672616	1	35	-1.0	-42.15	303.44	3.25	-38.90
C1=C(CCC2=N[N-]N=N2)N=NN1CCOCC1CCCO1	REAL250004672617	0	39	-1.0	-43.99	328.79	2.11	-41.88
C1=C(CCC2=NN=N[N-]2)N=NN1CCOCC1CCCO1	REAL250004672617	1	39	-1.0	-44.04	328.85	2.12	-41.92
CC(C1=CN=CC=N1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672618	0	32	-1.0	-47.05	280.91	1.29	-45.76
CC(C1=CN=CC=N1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672618	1	32	-1.0	-47.01	280.97	1.31	-45.70
CCCCOCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672619	0	41	-1.0	-49.50	346.96	0.90	-48.60
CCCCOCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672619	1	41	-1.0	-49.53	347.01	0.92	-48.61
OC(CC1=CC=CC=C1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672620	0	38	-1.0	-48.48	327.79	3.03	-45.45
OC(CC1=CC=CC=C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672620	1	38	-1.0	-48.51	327.84	3.05	-45.46
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C(F)(F)F	REAL250004672621	0	28	-1.0	-45.17	265.90	-0.53	-45.70
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C(F)(F)F	REAL250004672621	1	28	-1.0	-45.18	265.96	-0.51	-45.69
CCOCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672622	0	35	-1.0	-49.69	303.96	-0.68	-50.37
CCOCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672622	1	35	-1.0	-49.68	304.02	-0.67	-50.35
CCCCCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672623	0	43	-1.0	-46.62	355.24	3.00	-43.62
CCCCCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672623	1	43	-1.0	-46.61	355.30	3.01	-43.60
CC(O)(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672624	0	38	-1.0	-46.03	320.36	3.02	-43.01
CC(O)(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672624	1	38	-1.0	-46.01	320.41	3.04	-42.97
C=CCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672625	0	35	-1.0	-46.67	303.56	1.22	-45.45
C=CCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672625	1	35	-1.0	-46.64	303.61	1.23	-45.41
OC(CN1C=CC=N1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672626	0	35	-1.0	-54.51	309.41	0.24	-54.27
OC(CN1C=CC=N1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672626	1	35	-1.0	-54.54	309.36	0.22	-54.32
O[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672627	0	35	-1.0	-46.37	305.19	2.24	-44.13
O[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672627	1	35	-1.0	-46.39	305.25	2.26	-44.13
O[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672628	0	35	-1.0	-45.80	304.08	2.38	-43.42
O[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672628	1	35	-1.0	-45.73	304.13	2.39	-43.34
CC1=CC=C(C(O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672629	0	38	-1.0	-45.73	325.49	3.05	-42.68
CC1=CC=C(C(O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672629	1	38	-1.0	-45.70	325.54	3.07	-42.63
OC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCOCC1	REAL250004672630	0	36	-1.0	-43.52	294.53	-0.04	-43.56
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCOCC1	REAL250004672630	1	36	-1.0	-43.49	294.59	-0.03	-43.52
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=N1	REAL250004672631	0	34	-1.0	-46.18	301.40	0.40	-45.78
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=N1	REAL250004672631	1	34	-1.0	-46.19	301.46	0.41	-45.78
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CN=C1	REAL250004672632	0	34	-1.0	-47.52	299.06	0.59	-46.93
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CN=C1	REAL250004672632	1	34	-1.0	-47.49	299.00	0.58	-46.91
OC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCSCC1	REAL250004672633	0	36	-1.0	-43.48	301.24	2.30	-41.18
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCSCC1	REAL250004672633	1	36	-1.0	-43.49	301.29	2.31	-41.18
CCC(C)(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672634	0	34	-1.0	-46.48	280.25	0.44	-46.04
CCC(C)(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672634	1	34	-1.0	-46.43	280.30	0.46	-45.97
OC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCOC1	REAL250004672635	0	36	-1.0	-44.94	294.49	-0.14	-45.08
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCOC1	REAL250004672635	1	36	-1.0	-44.93	294.55	-0.12	-45.05
CC1CCC(O)(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672636	0	41	-1.0	-43.41	323.69	3.00	-40.41
CC1CCC(O)(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672636	1	41	-1.0	-43.45	323.74	3.01	-40.44
OC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL250004672637	0	35	-1.0	-43.52	287.46	1.49	-42.03
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL250004672637	1	35	-1.0	-43.55	287.52	1.50	-42.05
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NOC(C2CC2)=N1	REAL250004672638	0	33	-1.0	-47.72	299.32	1.68	-46.04
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NOC(C2CC2)=N1	REAL250004672638	1	33	-1.0	-47.76	299.38	1.70	-46.06
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=NOC=C1	REAL250004672639	0	31	-1.0	-54.51	283.42	1.41	-53.10
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=NOC=C1	REAL250004672639	1	31	-1.0	-54.50	283.37	1.39	-53.11
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004672640	0	32	-1.0	-46.56	302.55	5.04	-41.52
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004672640	1	32	-1.0	-46.55	302.60	5.06	-41.49
N#CC1=CC=C(F)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672641	0	32	-1.0	-46.51	302.55	5.04	-41.47
N#CC1=CC=C(F)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672641	1	32	-1.0	-46.49	302.61	5.06	-41.43
CCC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672642	0	32	-1.0	-50.67	289.72	-1.66	-52.33
CCC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672642	1	32	-1.0	-50.66	289.78	-1.64	-52.30
CC1=CSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672643	0	30	-1.0	-46.93	282.72	2.36	-44.57
CC1=CSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672643	1	30	-1.0	-46.96	282.78	2.38	-44.58
COCC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672644	0	33	-1.0	-47.80	301.36	-0.83	-48.63
COCC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672644	1	33	-1.0	-47.87	301.42	-0.82	-48.69
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCOC1	REAL250004672645	0	35	-1.0	-44.38	292.79	2.44	-41.94
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCOC1	REAL250004672645	1	35	-1.0	-44.40	292.85	2.45	-41.95
CN(C)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672646	0	39	-1.0	-43.88	324.75	4.56	-39.32
CN(C)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672646	1	39	-1.0	-43.91	324.81	4.57	-39.34
CCOCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672647	0	34	-1.0	-45.49	293.21	2.42	-43.07
CCOCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672647	1	34	-1.0	-45.51	293.27	2.44	-43.07
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C(C2CC2)O1	REAL250004672648	0	34	-1.0	-46.28	305.04	1.54	-44.74
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C(C2CC2)O1	REAL250004672648	1	34	-1.0	-46.27	305.10	1.55	-44.72
COC(=O)C1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672649	0	34	-1.0	-49.97	303.63	3.78	-46.19
COC(=O)C1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672649	1	34	-1.0	-49.96	303.69	3.79	-46.17
CCC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672650	0	37	-1.0	-43.93	319.02	6.06	-37.87
CCC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672650	1	37	-1.0	-43.95	319.07	6.08	-37.87
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672651	0	33	-1.0	-47.10	292.58	3.47	-43.63
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672651	1	33	-1.0	-47.14	292.64	3.49	-43.65
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672652	0	33	-1.0	-47.42	292.26	3.47	-43.95
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672652	1	33	-1.0	-47.42	292.32	3.48	-43.94
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=NS1	REAL250004672653	0	26	-1.0	-50.60	254.71	1.00	-49.60
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=NS1	REAL250004672653	1	26	-1.0	-50.62	254.77	1.01	-49.61
ClC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672654	0	30	-1.0	-45.71	287.78	3.37	-42.34
ClC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672654	1	30	-1.0	-45.72	287.73	3.35	-42.37
CC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672655	0	29	-1.0	-51.28	268.24	-2.41	-53.69
CC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672655	1	29	-1.0	-51.28	268.30	-2.40	-53.68
N#CCC1(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672656	0	32	-1.0	-44.15	288.80	4.27	-39.88
N#CCC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672656	1	32	-1.0	-44.18	288.86	4.28	-39.90
NC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672657	0	32	-1.0	-46.63	286.18	1.62	-45.01
NC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672657	1	32	-1.0	-46.67	286.24	1.63	-45.04
ClC1=CN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672658	0	27	-1.0	-45.74	277.98	2.38	-43.36
ClC1=CN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672658	1	27	-1.0	-45.75	278.04	2.39	-43.36
CC(C)COC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672659	0	36	-1.0	-49.97	312.99	4.15	-45.82
CC(C)COC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672659	1	36	-1.0	-49.99	313.04	4.16	-45.83
CC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672660	0	40	-1.0	-43.08	308.80	5.31	-37.77
CC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672660	1	40	-1.0	-43.05	308.86	5.32	-37.73
C1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672661	0	28	-1.0	-43.86	266.11	3.56	-40.30
C1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672661	1	28	-1.0	-43.85	266.17	3.58	-40.27
C1=C(C2CC2)OC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672662	0	34	-1.0	-48.46	305.15	1.79	-46.67
C1=C(C2CC2)OC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672662	1	34	-1.0	-48.51	305.20	1.80	-46.71
CC1(C)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672663	0	37	-1.0	-43.32	304.34	4.78	-38.54
CC1(C)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672663	1	37	-1.0	-43.32	304.39	4.79	-38.53
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1CCOC1	REAL250004672664	0	38	-1.0	-45.38	314.77	3.28	-42.10
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1CCOC1	REAL250004672664	1	38	-1.0	-45.37	314.82	3.30	-42.07
CC1=CC=NC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672665	0	33	-1.0	-45.60	285.63	3.39	-42.21
CC1=CC=NC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672665	1	33	-1.0	-45.58	285.69	3.41	-42.17
CC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672666	0	33	-1.0	-46.69	292.48	3.50	-43.19
CC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672666	1	33	-1.0	-46.70	292.42	3.49	-43.21
CSCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672668	0	32	-1.0	-49.66	292.88	0.31	-49.35
CSCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672668	1	32	-1.0	-49.68	292.94	0.33	-49.35
COCCOCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672669	0	39	-1.0	-52.40	337.59	-1.32	-53.72
COCCOCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672669	1	39	-1.0	-52.37	337.64	-1.30	-53.67
CC(O)(CN1C=C(CCC2=N[N-]N=N2)N=N1)C(F)(F)F	REAL250004672672	0	31	-1.0	-44.25	279.25	0.11	-44.14
CC(O)(CN1C=C(CCC2=NN=N[N-]2)N=N1)C(F)(F)F	REAL250004672672	1	31	-1.0	-44.22	279.31	0.12	-44.10
OC(CC1CCCC1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672673	0	41	-1.0	-45.95	330.15	2.92	-43.03
OC(CC1CCCC1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672673	1	41	-1.0	-45.94	330.20	2.94	-43.00
COCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672674	0	35	-1.0	-47.19	302.92	-1.06	-48.25
COCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672674	1	35	-1.0	-47.17	302.98	-1.04	-48.21
CCOCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672675	0	38	-1.0	-47.08	324.77	-0.09	-47.17
CCOCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672675	1	38	-1.0	-47.07	324.83	-0.08	-47.15
CC(C)(O)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672676	0	38	-1.0	-49.95	316.14	-0.81	-50.76
CC(C)(O)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672676	1	38	-1.0	-49.96	316.20	-0.79	-50.75
CC(C)CCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672677	0	40	-1.0	-46.71	329.81	1.94	-44.77
CC(C)CCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672677	1	40	-1.0	-46.68	329.87	1.96	-44.72
CC(C)OCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672678	0	41	-1.0	-47.01	345.05	0.66	-46.35
CC(C)OCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672678	1	41	-1.0	-46.98	345.10	0.68	-46.30
CCOC(=O)C(C)(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672679	0	37	-1.0	-45.13	318.96	1.18	-43.95
CCOC(=O)C(C)(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672679	1	37	-1.0	-45.15	319.02	1.20	-43.95
CC(C)OC[C@@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672680	0	38	-1.0	-49.61	324.25	0.08	-49.53
CC(C)OC[C@@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672680	1	38	-1.0	-49.62	324.30	0.10	-49.52
CC(C)OC[C@H](O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672681	0	38	-1.0	-48.96	322.95	0.21	-48.75
CC(C)OC[C@H](O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672681	1	38	-1.0	-48.99	323.01	0.23	-48.76
CC(C)(C#N)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672682	0	38	-1.0	-53.13	323.94	1.36	-51.77
CC(C)(C#N)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672682	1	38	-1.0	-53.15	323.99	1.38	-51.77
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)CC1(O)CCC1	REAL250004672683	0	39	-1.0	-48.41	323.69	0.07	-48.34
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)CC1(O)CCC1	REAL250004672683	1	39	-1.0	-48.38	323.75	0.08	-48.30
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2(CCC2)C1	REAL250004672684	0	38	-1.0	-43.48	312.97	5.53	-37.95
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2(CCC2)C1	REAL250004672684	1	38	-1.0	-43.47	313.03	5.55	-37.92
C=C(Br)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672685	0	25	-1.0	-42.93	250.61	2.80	-40.13
C=C(Br)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672685	1	25	-1.0	-42.96	250.66	2.82	-40.14
CC(Cl)=CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672686	0	28	-1.0	-42.85	263.88	3.46	-39.39
CC(Cl)=CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672686	1	28	-1.0	-42.90	263.94	3.47	-39.43
CCOC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672687	0	30	-1.0	-50.33	271.38	2.69	-47.64
CCOC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672687	1	30	-1.0	-50.34	271.44	2.70	-47.64
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672688	0	32	-1.0	-47.20	296.98	5.02	-42.18
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672688	1	32	-1.0	-47.18	297.04	5.04	-42.14
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672689	0	31	-1.0	-44.45	292.86	5.15	-39.30
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672689	1	31	-1.0	-44.49	292.92	5.16	-39.33
CCCCC(CC)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672690	0	42	-1.0	-42.75	328.77	5.73	-37.02
CCCCC(CC)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672690	1	42	-1.0	-42.75	328.83	5.74	-37.01
CCOC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672691	0	30	-1.0	-50.33	271.38	2.69	-47.64
CCOC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672691	1	30	-1.0	-50.34	271.44	2.70	-47.64
ClC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672692	0	31	-1.0	-44.15	292.86	5.14	-39.01
ClC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672692	1	31	-1.0	-44.16	292.92	5.15	-39.01
ClC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672693	0	31	-1.0	-45.45	288.72	5.05	-40.40
ClC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672693	1	31	-1.0	-45.45	288.77	5.07	-40.38
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672694	0	31	-1.0	-45.10	282.54	4.70	-40.40
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672694	1	31	-1.0	-45.09	282.60	4.71	-40.38
CCC(C)NC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672695	0	40	-1.0	-51.23	335.03	2.47	-48.76
CCC(C)NC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672695	1	40	-1.0	-51.23	335.09	2.48	-48.75
CCCCNC(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672696	0	40	-1.0	-50.88	336.77	2.24	-48.64
CCCCNC(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672696	1	40	-1.0	-50.90	336.83	2.25	-48.65
FC1(F)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672697	0	31	-1.0	-46.41	277.32	3.85	-42.56
FC1(F)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672697	1	31	-1.0	-46.41	277.38	3.87	-42.54
CC1=CC=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672698	0	33	-1.0	-47.20	292.30	3.48	-43.72
CC1=CC=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672698	1	33	-1.0	-47.22	292.36	3.50	-43.72
CSCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672699	0	31	-1.0	-45.75	282.42	3.62	-42.13
CSCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672699	1	31	-1.0	-45.75	282.48	3.64	-42.11
ClC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672700	0	28	-1.0	-43.41	283.40	4.34	-39.07
ClC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672700	1	28	-1.0	-43.42	283.46	4.35	-39.07
CCC(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672701	0	37	-1.0	-41.87	308.35	5.69	-36.18
CCC(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672701	1	37	-1.0	-41.86	308.41	5.71	-36.15
ClC1=CN=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672702	0	30	-1.0	-46.56	284.18	3.27	-43.29
ClC1=CN=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672702	1	30	-1.0	-46.55	284.23	3.29	-43.26
CC1=CC=CC(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672703	0	37	-1.0	-42.96	311.80	5.58	-37.38
CC1=CC=CC(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672703	1	37	-1.0	-42.96	311.86	5.60	-37.36
CC1=C(C)SC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672704	0	33	-1.0	-47.24	303.05	3.12	-44.12
CC1=C(C)SC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672704	1	33	-1.0	-47.27	303.11	3.14	-44.13
C1=C(CCC2=N[N-]N=N2)N=NN1C1C=CCCCCC1	REAL250004672705	0	38	-1.0	-41.65	295.68	4.84	-36.81
C1=C(CCC2=NN=N[N-]2)N=NN1C1C=CCCCCC1	REAL250004672705	1	38	-1.0	-41.63	295.74	4.86	-36.77
COCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672706	0	34	-1.0	-43.83	292.86	2.24	-41.59
COCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672706	1	34	-1.0	-43.82	292.91	2.25	-41.57
C=C(CBr)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672707	0	25	-1.0	-40.29	244.11	2.85	-37.44
C=C(CBr)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672707	1	25	-1.0	-40.30	244.16	2.87	-37.43
CC(C)(O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672708	0	34	-1.0	-42.90	286.08	0.39	-42.51
CC(C)(O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672708	1	34	-1.0	-42.88	286.14	0.41	-42.47
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC2=CC=CC=C12	REAL250004672709	0	34	-1.0	-47.55	304.02	5.16	-42.39
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC2=CC=CC=C12	REAL250004672709	1	34	-1.0	-47.57	304.08	5.17	-42.40
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCCC1	REAL250004672710	0	40	-1.0	-42.69	318.37	5.57	-37.12
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCCC1	REAL250004672710	1	40	-1.0	-42.70	318.43	5.59	-37.11
CCC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672711	0	37	-1.0	-43.76	309.00	5.84	-37.92
CCC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672711	1	37	-1.0	-43.76	309.05	5.86	-37.90
CC(C)CC(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672712	0	39	-1.0	-43.13	314.36	5.07	-38.06
CC(C)CC(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672712	1	39	-1.0	-43.15	314.41	5.08	-38.07
CC(C)(C)OCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672713	0	40	-1.0	-45.27	327.51	3.56	-41.71
CC(C)(C)OCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672713	1	40	-1.0	-45.29	327.57	3.57	-41.72
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CCCCC1	REAL250004672714	0	38	-1.0	-42.17	313.40	5.63	-36.54
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CCCCC1	REAL250004672714	1	38	-1.0	-42.17	313.45	5.64	-36.53
CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672715	0	34	-1.0	-54.15	296.65	0.91	-53.24
CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672715	1	34	-1.0	-54.17	296.71	0.93	-53.24
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCCC1	REAL250004672716	0	40	-1.0	-43.29	310.21	5.55	-37.74
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCCC1	REAL250004672716	1	40	-1.0	-43.26	310.27	5.57	-37.69
CCC(CN1C=C(CCC2=N[N-]N=N2)N=N1)OC	REAL250004672717	0	34	-1.0	-44.74	285.38	2.22	-42.52
CCC(CN1C=C(CCC2=NN=N[N-]2)N=N1)OC	REAL250004672717	1	34	-1.0	-44.74	285.43	2.24	-42.50
ClC=C(Cl)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672718	0	25	-1.0	-43.95	261.13	3.23	-40.72
ClC=C(Cl)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672718	1	25	-1.0	-43.96	261.19	3.24	-40.72
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1=CCCCC1	REAL250004672719	0	38	-1.0	-42.17	313.40	5.63	-36.54
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1=CCCCC1	REAL250004672719	1	38	-1.0	-42.17	313.45	5.64	-36.53
FC(F)(F)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672720	0	27	-1.0	-42.49	255.82	2.76	-39.73
FC(F)(F)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672720	1	27	-1.0	-42.47	255.87	2.78	-39.69
FC1(F)CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672721	0	37	-1.0	-41.72	308.65	5.10	-36.62
FC1(F)CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672721	1	37	-1.0	-41.73	308.70	5.11	-36.62
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCO1	REAL250004672723	0	35	-1.0	-44.50	291.21	2.71	-41.79
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCO1	REAL250004672723	1	35	-1.0	-44.49	291.26	2.72	-41.77
FC1(F)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672724	0	31	-1.0	-46.41	277.32	3.85	-42.56
FC1(F)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672724	1	31	-1.0	-46.41	277.38	3.87	-42.54
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC1	REAL250004672725	0	32	-1.0	-54.27	285.27	1.02	-53.25
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC1	REAL250004672725	1	32	-1.0	-54.28	285.33	1.03	-53.25
CCN(CC)C(=O)C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672726	0	40	-1.0	-50.78	325.08	3.40	-47.38
CCN(CC)C(=O)C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672726	1	40	-1.0	-50.84	325.14	3.41	-47.43
CC(C)C1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672727	0	35	-1.0	-49.05	310.01	1.33	-47.72
CC(C)C1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672727	1	35	-1.0	-49.07	310.07	1.34	-47.73
CCC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672728	0	32	-1.0	-49.16	289.19	0.87	-48.29
CCC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672728	1	32	-1.0	-49.19	289.25	0.88	-48.31
CCCC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672729	0	35	-1.0	-49.03	310.69	1.64	-47.39
CCCC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672729	1	35	-1.0	-49.00	310.75	1.65	-47.35
C1=NSN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672730	0	26	-1.0	-47.79	253.79	0.56	-47.23
C1=NSN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672730	1	26	-1.0	-47.79	253.85	0.58	-47.21
CC1=CC=CC=C1C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672731	0	37	-1.0	-42.98	308.06	5.48	-37.50
CC1=CC=CC=C1C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672731	1	37	-1.0	-42.97	308.12	5.50	-37.47
COC1=NC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672732	0	34	-1.0	-48.29	302.05	1.40	-46.89
COC1=NC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672732	1	34	-1.0	-48.28	302.00	1.39	-46.89
CC1(C)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672733	0	38	-1.0	-45.77	314.31	3.30	-42.47
CC1(C)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672733	1	38	-1.0	-45.76	314.37	3.32	-42.44
O=C1OCCC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672734	0	34	-1.0	-46.99	293.00	3.48	-43.51
O=C1OCCC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672734	1	34	-1.0	-46.96	293.06	3.50	-43.46
CC(C)C(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672735	0	34	-1.0	-46.00	283.68	0.60	-45.40
CC(C)C(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672735	1	34	-1.0	-46.01	283.74	0.62	-45.39
CC(C)COCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672736	0	37	-1.0	-41.97	313.32	3.15	-38.82
CC(C)COCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672736	1	37	-1.0	-41.94	313.37	3.17	-38.77
C=CC(C(=O)OC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672737	0	31	-1.0	-46.62	282.71	2.86	-43.76
C=CC(C(=O)OC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672737	1	31	-1.0	-46.63	282.77	2.88	-43.75
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCCO1	REAL250004672738	0	38	-1.0	-44.00	312.20	3.53	-40.47
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCCO1	REAL250004672738	1	38	-1.0	-44.00	312.26	3.54	-40.46
O=C1NCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672739	0	30	-1.0	-59.12	268.22	-1.22	-60.34
O=C1NCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672739	1	30	-1.0	-59.08	268.28	-1.20	-60.28
CCN1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672740	0	35	-1.0	-48.06	300.22	2.41	-45.65
CCN1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672740	1	35	-1.0	-48.05	300.28	2.43	-45.62
CN1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672741	0	35	-1.0	-48.18	293.00	2.08	-46.10
CN1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672741	1	35	-1.0	-48.17	293.05	2.09	-46.08
COCCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672742	0	34	-1.0	-44.39	286.90	1.84	-42.55
COCCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672742	1	34	-1.0	-44.40	286.96	1.86	-42.54
CC(C)(C)SCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672743	0	37	-1.0	-41.79	317.25	4.83	-36.96
CC(C)(C)SCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672743	1	37	-1.0	-41.80	317.31	4.84	-36.96
C1=C(CCC2=N[N-]N=N2)N=NN1CC12CCC(CC1)C2	REAL250004672744	0	38	-1.0	-43.65	300.63	5.34	-38.31
C1=C(CCC2=NN=N[N-]2)N=NN1CC12CCC(CC1)C2	REAL250004672744	1	38	-1.0	-43.65	300.69	5.36	-38.29
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672745	0	33	-1.0	-46.18	292.62	3.48	-42.70
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672745	1	33	-1.0	-46.21	292.67	3.49	-42.72
C1=NC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672746	0	27	-1.0	-45.64	260.94	1.89	-43.75
C1=NC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672746	1	27	-1.0	-45.64	260.88	1.88	-43.76
CC1(C)CC(N2C=C(CCC3=N[N-]N=N3)N=N2)CO1	REAL250004672747	0	35	-1.0	-42.88	289.56	2.44	-40.44
CC1(C)CC(N2C=C(CCC3=NN=N[N-]3)N=N2)CO1	REAL250004672747	1	35	-1.0	-42.91	289.62	2.45	-40.46
CC(C#N)OCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672748	0	32	-1.0	-46.02	291.31	2.10	-43.92
CC(C#N)OCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672748	1	32	-1.0	-46.00	291.37	2.12	-43.88
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1CCC1	REAL250004672749	0	37	-1.0	-43.07	307.42	5.25	-37.82
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1CCC1	REAL250004672749	1	37	-1.0	-43.12	307.47	5.26	-37.86
CC1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672750	0	40	-1.0	-43.34	319.94	5.67	-37.67
CC1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672750	1	40	-1.0	-43.32	319.99	5.68	-37.64
CC1CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672751	0	40	-1.0	-43.05	309.52	5.28	-37.77
CC1CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672751	1	40	-1.0	-43.05	309.58	5.30	-37.75
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NC(C)=N1	REAL250004672752	0	35	-1.0	-48.77	309.26	3.18	-45.59
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NC(C)=N1	REAL250004672752	1	35	-1.0	-48.80	309.32	3.20	-45.60
CCN1N=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672753	0	33	-1.0	-47.82	286.31	3.72	-44.10
CCN1N=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672753	1	33	-1.0	-47.83	286.37	3.73	-44.10
FC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672754	0	30	-1.0	-47.49	277.22	2.89	-44.60
FC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672754	1	30	-1.0	-47.50	277.28	2.91	-44.59
O=C1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CN1	REAL250004672755	0	32	-1.0	-51.81	278.43	-0.02	-51.83
O=C1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CN1	REAL250004672755	1	32	-1.0	-51.81	278.48	0.00	-51.81
COCC(CN1C=C(CCC2=N[N-]N=N2)N=N1)OC	REAL250004672756	0	35	-1.0	-47.20	297.82	0.74	-46.46
COCC(CN1C=C(CCC2=NN=N[N-]2)N=N1)OC	REAL250004672756	1	35	-1.0	-47.18	297.88	0.75	-46.43
CC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C	REAL250004672757	0	39	-1.0	-42.15	301.36	4.42	-37.73
CC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C	REAL250004672757	1	39	-1.0	-42.15	301.42	4.44	-37.71
CN1N=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672758	0	31	-1.0	-48.18	276.40	2.20	-45.98
CN1N=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672758	1	31	-1.0	-48.22	276.45	2.21	-46.01
CC1(C)COC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672759	0	38	-1.0	-46.85	312.30	3.16	-43.69
CC1(C)COC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672759	1	38	-1.0	-46.83	312.35	3.18	-43.65
CC(C1=NN=NN1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672760	0	32	-1.0	-50.72	283.87	0.98	-49.74
CC(C1=NN=NN1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672760	1	32	-1.0	-50.71	283.93	1.00	-49.71
CC(C)(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672761	0	40	-1.0	-53.54	332.54	2.37	-51.17
CC(C)(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672761	1	40	-1.0	-53.55	332.60	2.38	-51.17
CC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672762	0	29	-1.0	-49.12	267.71	0.26	-48.86
CC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672762	1	29	-1.0	-49.18	267.77	0.27	-48.91
CC1=CC(F)=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672763	0	34	-1.0	-44.83	296.76	5.25	-39.58
CC1=CC(F)=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672763	1	34	-1.0	-44.82	296.82	5.27	-39.55
CN1N=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672764	0	30	-1.0	-49.08	272.99	0.82	-48.26
CN1N=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672764	1	30	-1.0	-49.14	273.05	0.83	-48.31
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCO1	REAL250004672765	0	35	-1.0	-44.17	294.10	2.71	-41.46
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCO1	REAL250004672765	1	35	-1.0	-44.19	294.16	2.73	-41.46
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CC1	REAL250004672766	0	35	-1.0	-54.01	306.70	1.70	-52.31
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CC1	REAL250004672766	1	35	-1.0	-53.99	306.76	1.72	-52.27
O=C1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672767	0	36	-1.0	-46.67	301.76	4.17	-42.50
O=C1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672767	1	36	-1.0	-46.66	301.82	4.18	-42.48
COC(C)(C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672768	0	37	-1.0	-42.25	300.98	2.45	-39.80
COC(C)(C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672768	1	37	-1.0	-42.27	301.03	2.47	-39.80
CC1(C)CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672769	0	41	-1.0	-44.84	325.94	3.87	-40.97
CC1(C)CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672769	1	41	-1.0	-44.84	325.99	3.89	-40.95
NC(=O)C(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672770	0	35	-1.0	-43.66	307.77	0.95	-42.71
NC(=O)C(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672770	1	35	-1.0	-43.62	307.83	0.97	-42.65
C1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672772	0	31	-1.0	-44.92	278.64	2.62	-42.30
C1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672772	1	31	-1.0	-44.93	278.58	2.60	-42.33
O=C1CCCN1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672773	0	38	-1.0	-52.79	323.74	3.48	-49.31
O=C1CCCN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672773	1	38	-1.0	-52.80	323.80	3.50	-49.30
CC1=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)SC=N1	REAL250004672774	0	33	-1.0	-44.19	301.56	3.16	-41.03
CC1=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)SC=N1	REAL250004672774	1	33	-1.0	-44.15	301.62	3.17	-40.98
C1=C(CCC2=N[N-]N=N2)N=NN1CCCN1CCOCC1	REAL250004672775	0	40	-1.0	-44.93	326.02	0.88	-44.05
C1=C(CCC2=NN=N[N-]2)N=NN1CCCN1CCOCC1	REAL250004672775	1	40	-1.0	-44.96	326.08	0.90	-44.06
O=C1CNC(=O)N1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672776	0	33	-1.0	-50.81	297.61	-0.43	-51.24
O=C1CNC(=O)N1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672776	1	33	-1.0	-50.83	297.66	-0.42	-51.25
O[C@@H](CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL250004672777	0	38	-1.0	-44.97	326.20	3.07	-41.90
O[C@@H](CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL250004672777	1	38	-1.0	-45.01	326.26	3.08	-41.93
CS(=O)(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672778	0	32	-1.0	-50.73	294.73	-2.23	-52.96
CS(=O)(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672778	1	32	-1.0	-50.74	294.79	-2.21	-52.95
CC1=NC=CN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672779	0	34	-1.0	-45.60	297.85	4.00	-41.60
CC1=NC=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672779	1	34	-1.0	-45.62	297.91	4.02	-41.60
CC1=NOC(C)=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672780	0	36	-1.0	-45.45	314.88	4.19	-41.26
CC1=NOC(C)=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672780	1	36	-1.0	-45.42	314.93	4.21	-41.21
C1=NNC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672781	0	31	-1.0	-46.31	277.50	1.89	-44.42
C1=NNC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672781	1	31	-1.0	-46.37	277.45	1.88	-44.49
O=C1NCCN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672782	0	34	-1.0	-49.18	296.25	0.31	-48.87
O=C1NCCN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672782	1	34	-1.0	-49.18	296.30	0.32	-48.86
C1=NC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672783	0	30	-1.0	-44.39	281.91	2.42	-41.97
C1=NC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672783	1	30	-1.0	-44.37	281.97	2.44	-41.93
O=C1NCCC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672784	0	35	-1.0	-45.79	297.55	0.70	-45.09
O=C1NCCC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672784	1	35	-1.0	-45.83	297.61	0.72	-45.11
CC(C)(C#N)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672785	0	37	-1.0	-46.15	313.70	4.47	-41.68
CC(C)(C#N)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672785	1	37	-1.0	-46.12	313.76	4.48	-41.64
CN1C=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=N1	REAL250004672786	0	33	-1.0	-49.65	294.38	1.89	-47.76
CN1C=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=N1	REAL250004672786	1	33	-1.0	-49.63	294.44	1.91	-47.72
CN1C=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672787	0	34	-1.0	-46.93	300.47	3.21	-43.72
CN1C=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672787	1	34	-1.0	-46.89	300.41	3.19	-43.70
CC1=NC=CN1CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672789	0	37	-1.0	-51.25	319.35	4.77	-46.48
CC1=NC=CN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672789	1	37	-1.0	-51.28	319.41	4.79	-46.49
C1=NN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672790	0	30	-1.0	-46.52	273.40	4.07	-42.45
C1=NN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672790	1	30	-1.0	-46.55	273.34	4.06	-42.49
CC(CN1CCOCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672791	0	40	-1.0	-42.88	322.29	0.95	-41.93
CC(CN1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672791	1	40	-1.0	-42.90	322.35	0.97	-41.93
CN1N=CC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672792	0	34	-1.0	-45.17	297.86	2.97	-42.20
CN1N=CC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672792	1	34	-1.0	-45.16	297.92	2.98	-42.18
C1=NNN=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672793	0	30	-1.0	-45.11	271.39	0.48	-44.63
C1=NNN=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672793	1	30	-1.0	-45.10	271.44	0.49	-44.61
CN1C=NC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672794	0	34	-1.0	-46.01	298.14	4.53	-41.48
CN1C=NC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672794	1	34	-1.0	-46.00	298.20	4.54	-41.46
CC(F)(F)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672795	0	33	-1.0	-48.07	291.80	4.08	-43.99
CC(F)(F)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672795	1	33	-1.0	-48.06	291.86	4.10	-43.96
FC1(F)C2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC21	REAL250004672796	0	35	-1.0	-44.04	303.52	5.15	-38.89
FC1(F)C2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC21	REAL250004672796	1	35	-1.0	-44.02	303.58	5.17	-38.85
CC(F)(F)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672797	0	33	-1.0	-48.07	291.80	4.08	-43.99
CC(F)(F)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672797	1	33	-1.0	-48.06	291.86	4.10	-43.96
CC1=CNN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672798	0	31	-1.0	-46.45	275.89	1.62	-44.83
CC1=CNN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672798	1	31	-1.0	-46.46	275.95	1.63	-44.83
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC(C2CC2)O1	REAL250004672799	0	39	-1.0	-47.69	324.59	4.38	-43.31
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC(C2CC2)O1	REAL250004672799	1	39	-1.0	-47.68	324.65	4.39	-43.29
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC2=CC=CC=C2N1	REAL250004672800	0	34	-1.0	-52.19	302.50	3.38	-48.81
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC2=CC=CC=C2N1	REAL250004672800	1	34	-1.0	-52.20	302.45	3.36	-48.84
NC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672801	0	32	-1.0	-47.58	285.97	1.56	-46.02
NC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672801	1	32	-1.0	-47.59	286.03	1.58	-46.01
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC12CCOC2	REAL250004672802	0	36	-1.0	-44.15	303.54	3.08	-41.07
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC12CCOC2	REAL250004672802	1	36	-1.0	-44.17	303.60	3.10	-41.07
C1=C(CCC2=N[N-]N=N2)N=NN1CC[C@@H]1C[C@H]1C1CC1	REAL250004672803	0	38	-1.0	-42.88	322.87	6.20	-36.68
C1=C(CCC2=NN=N[N-]2)N=NN1CC[C@@H]1C[C@H]1C1CC1	REAL250004672803	1	38	-1.0	-42.90	322.92	6.21	-36.69
OCCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672804	0	37	-1.0	-44.95	313.60	1.38	-43.57
OCCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672804	1	37	-1.0	-44.92	313.66	1.40	-43.52
FC(F)(F)SCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672805	0	28	-1.0	-42.86	280.65	3.43	-39.43
FC(F)(F)SCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672805	1	28	-1.0	-42.88	280.71	3.44	-39.44
CC1=NC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672806	0	30	-1.0	-45.79	282.83	2.59	-43.20
CC1=NC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672806	1	30	-1.0	-45.82	282.89	2.61	-43.21
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1(O)CCCC1	REAL250004672807	0	39	-1.0	-45.06	320.44	-1.10	-46.16
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1(O)CCCC1	REAL250004672807	1	39	-1.0	-45.06	320.50	-1.08	-46.14
CC1=CC=CC(C(O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672808	0	38	-1.0	-46.39	326.58	2.91	-43.48
CC1=CC=CC(C(O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672808	1	38	-1.0	-46.38	326.64	2.93	-43.45
C1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL250004672809	0	26	-1.0	-50.47	255.36	0.71	-49.76
C1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL250004672809	1	26	-1.0	-50.47	255.42	0.73	-49.74
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2CCC1CC2	REAL250004672810	0	41	-1.0	-42.76	316.91	5.77	-36.99
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2CCC1CC2	REAL250004672810	1	41	-1.0	-42.74	316.96	5.79	-36.95
CC(O)(CN1C=C(CCC2=N[N-]N=N2)N=N1)C(F)F	REAL250004672811	0	31	-1.0	-49.08	277.16	0.38	-48.70
CC(O)(CN1C=C(CCC2=NN=N[N-]2)N=N1)C(F)F	REAL250004672811	1	31	-1.0	-49.07	277.21	0.39	-48.68
C1=NSC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672812	0	30	-1.0	-45.21	282.40	3.23	-41.98
C1=NSC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672812	1	30	-1.0	-45.20	282.46	3.24	-41.96
N#CC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672813	0	38	-1.0	-48.12	311.42	4.93	-43.19
N#CC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672813	1	38	-1.0	-48.10	311.48	4.95	-43.15
CON1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672814	0	33	-1.0	-50.23	292.38	1.59	-48.64
CON1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672814	1	33	-1.0	-50.23	292.43	1.60	-48.63
N#CC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672815	0	31	-1.0	-48.33	291.92	3.27	-45.06
N#CC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672815	1	31	-1.0	-48.32	291.86	3.25	-45.07
COCC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)C	REAL250004672816	0	40	-1.0	-45.14	319.72	3.72	-41.42
COCC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL250004672816	1	40	-1.0	-45.14	319.78	3.73	-41.41
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C(C)N=N1	REAL250004672817	0	35	-1.0	-50.36	302.34	2.90	-47.46
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C(C)N=N1	REAL250004672817	1	35	-1.0	-50.37	302.40	2.92	-47.45
CC1=NC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672818	0	33	-1.0	-46.90	285.44	3.37	-43.53
CC1=NC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672818	1	33	-1.0	-46.88	285.50	3.38	-43.50
CCOCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672819	0	38	-1.0	-43.58	327.20	1.88	-41.70
CCOCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672819	1	38	-1.0	-43.63	327.25	1.90	-41.73
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC2(COC2)O1	REAL250004672820	0	37	-1.0	-51.69	311.17	1.50	-50.19
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC2(COC2)O1	REAL250004672820	1	37	-1.0	-51.71	311.23	1.52	-50.19
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2COCC2O1	REAL250004672821	0	37	-1.0	-50.90	305.51	1.51	-49.39
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2COCC2O1	REAL250004672821	1	37	-1.0	-50.87	305.57	1.53	-49.34
CC1=CC(C)=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672822	0	36	-1.0	-47.48	313.92	4.09	-43.39
CC1=CC(C)=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672822	1	36	-1.0	-47.45	313.98	4.11	-43.34
COCC(COC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672823	0	35	-1.0	-43.02	301.12	0.31	-42.71
COCC(COC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672823	1	35	-1.0	-43.10	301.17	0.32	-42.78
N#CC1=CC(F)=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672824	0	32	-1.0	-47.67	303.40	5.08	-42.59
N#CC1=CC(F)=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672824	1	32	-1.0	-47.68	303.46	5.09	-42.59
CS(=O)(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672825	0	30	-1.0	-50.61	279.82	-0.85	-51.46
CS(=O)(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672825	1	30	-1.0	-50.64	279.88	-0.84	-51.48
CC(C)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672826	0	40	-1.0	-43.55	327.06	6.37	-37.18
CC(C)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672826	1	40	-1.0	-43.58	327.12	6.38	-37.20
C1=C(CCC2=N[N-]N=N2)N=NN1CCOC1CCOC1	REAL250004672827	0	36	-1.0	-43.74	307.16	1.11	-42.63
C1=C(CCC2=NN=N[N-]2)N=NN1CCOC1CCOC1	REAL250004672827	1	36	-1.0	-43.75	307.22	1.13	-42.62
CCC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=NO1	REAL250004672828	0	36	-1.0	-46.51	314.92	4.20	-42.31
CCC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=NO1	REAL250004672828	1	36	-1.0	-46.48	314.98	4.22	-42.26
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC2(CC2)CC1	REAL250004672829	0	41	-1.0	-43.38	330.54	6.36	-37.02
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC2(CC2)CC1	REAL250004672829	1	41	-1.0	-43.40	330.60	6.38	-37.02
C1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672830	0	28	-1.0	-43.86	266.11	3.56	-40.30
C1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672830	1	28	-1.0	-43.85	266.17	3.58	-40.27
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCO1	REAL250004672831	0	37	-1.0	-56.12	313.50	3.81	-52.31
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCO1	REAL250004672831	1	37	-1.0	-56.12	313.56	3.82	-52.30
C1=C(CCC2=N[N-]N=N2)N=NN1CC1COC2=CC=CC=C21	REAL250004672832	0	36	-1.0	-45.46	308.61	4.43	-41.03
C1=C(CCC2=NN=N[N-]2)N=NN1CC1COC2=CC=CC=C21	REAL250004672832	1	36	-1.0	-45.45	308.67	4.45	-41.00
C1=C(CCC2=N[N-]N=N2)N=NN1CCCOC1CCC1	REAL250004672833	0	38	-1.0	-45.60	320.37	3.82	-41.78
C1=C(CCC2=NN=N[N-]2)N=NN1CCCOC1CCC1	REAL250004672833	1	38	-1.0	-45.62	320.43	3.83	-41.79
FC1=CC=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672834	0	34	-1.0	-43.65	304.01	5.48	-38.17
FC1=CC=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672834	1	34	-1.0	-43.66	304.06	5.49	-38.17
C1=C(CCC2=N[N-]N=N2)N=NN1CCCCCC1CC1	REAL250004672835	0	40	-1.0	-43.19	333.80	6.29	-36.90
C1=C(CCC2=NN=N[N-]2)N=NN1CCCCCC1CC1	REAL250004672835	1	40	-1.0	-43.19	333.85	6.31	-36.88
CC1=CON=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672836	0	30	-1.0	-45.73	272.95	2.63	-43.10
CC1=CON=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672836	1	30	-1.0	-45.72	273.01	2.64	-43.08
CC1=NC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672837	0	32	-1.0	-47.98	287.60	2.62	-45.36
CC1=NC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672837	1	32	-1.0	-47.97	287.66	2.63	-45.34
CC(C(=O)N1CCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672838	0	35	-1.0	-45.76	301.61	2.05	-43.71
CC(C(=O)N1CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672838	1	35	-1.0	-45.79	301.67	2.07	-43.72
FCC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672839	0	34	-1.0	-43.93	296.93	5.32	-38.61
FCC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672839	1	34	-1.0	-43.94	296.99	5.33	-38.61
FC(F)OCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672840	0	28	-1.0	-45.19	261.46	1.04	-44.15
FC(F)OCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672840	1	28	-1.0	-45.18	261.51	1.06	-44.12
FC1(F)CCCC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672841	0	37	-1.0	-44.43	310.37	5.03	-39.40
FC1(F)CCCC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672841	1	37	-1.0	-44.40	310.42	5.05	-39.35
CC1=CN(C)N=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672842	0	34	-1.0	-47.07	299.79	2.95	-44.12
CC1=CN(C)N=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672842	1	34	-1.0	-47.08	299.85	2.97	-44.11
C#CCCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672843	0	38	-1.0	-44.39	329.46	6.03	-38.36
C#CCCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672843	1	38	-1.0	-44.38	329.52	6.04	-38.34
COCC(C)=CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672844	0	35	-1.0	-46.38	299.60	2.82	-43.56
COCC(C)=CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672844	1	35	-1.0	-46.38	299.65	2.84	-43.54
FCCN1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672845	0	34	-1.0	-48.18	307.13	3.45	-44.73
FCCN1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672845	1	34	-1.0	-48.16	307.08	3.43	-44.73
CCOC(=O)[C@@H]1C[C@H]1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672846	0	37	-1.0	-51.13	325.02	4.81	-46.32
CCOC(=O)[C@@H]1C[C@H]1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672846	1	37	-1.0	-51.12	325.07	4.82	-46.30
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C2CC2)=NO1	REAL250004672847	0	34	-1.0	-48.46	304.36	4.23	-44.23
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C2CC2)=NO1	REAL250004672847	1	34	-1.0	-48.46	304.42	4.25	-44.21
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1(O)CCC1	REAL250004672848	0	36	-1.0	-47.14	298.04	-1.58	-48.72
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1(O)CCC1	REAL250004672848	1	36	-1.0	-47.11	298.09	-1.57	-48.68
FC1=CN=CC(F)=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672849	0	30	-1.0	-43.98	281.95	2.94	-41.04
FC1=CN=CC(F)=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672849	1	30	-1.0	-43.98	282.01	2.95	-41.03
CN1C=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672850	0	31	-1.0	-49.44	278.99	2.33	-47.11
CN1C=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672850	1	31	-1.0	-49.43	279.04	2.35	-47.08
NC(=O)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672851	0	29	-1.0	-66.65	267.30	-1.91	-68.56
NC(=O)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672851	1	29	-1.0	-66.63	267.35	-1.90	-68.53
CC1=CN=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672852	0	33	-1.0	-46.69	292.48	3.50	-43.19
CC1=CN=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672852	1	33	-1.0	-46.70	292.42	3.49	-43.21
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC=CCC1	REAL250004672853	0	38	-1.0	-43.15	305.33	5.56	-37.59
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC=CCC1	REAL250004672853	1	38	-1.0	-43.13	305.39	5.58	-37.55
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=N1	REAL250004672854	0	33	-1.0	-46.18	292.62	3.48	-42.70
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=N1	REAL250004672854	1	33	-1.0	-46.21	292.67	3.49	-42.72
CC1=CNC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672855	0	31	-1.0	-50.54	277.48	1.95	-48.59
CC1=CNC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672855	1	31	-1.0	-50.53	277.54	1.96	-48.57
CCCC(O)(CCC)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672856	0	43	-1.0	-46.00	341.27	3.15	-42.85
CCCC(O)(CCC)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672856	1	43	-1.0	-45.99	341.33	3.16	-42.83
O[C@H]1C2=CC=CC=C2CC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672857	0	36	-1.0	-44.22	307.74	2.21	-42.01
O[C@H]1C2=CC=CC=C2CC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672857	1	36	-1.0	-44.25	307.80	2.22	-42.03
CC(C)CCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672858	0	39	-1.0	-42.34	313.82	4.87	-37.47
CC(C)CCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672858	1	39	-1.0	-42.30	313.88	4.88	-37.42
CC(C)C1=NOC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672859	0	36	-1.0	-47.98	314.05	3.90	-44.08
CC(C)C1=NOC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672859	1	36	-1.0	-47.96	314.11	3.92	-44.04
C[C@@H]1C[C@H](CN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)O1	REAL250004672860	0	41	-1.0	-43.70	332.58	4.16	-39.54
C[C@@H]1C[C@H](CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL250004672860	1	41	-1.0	-43.72	332.64	4.17	-39.55
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1CCCCC1	REAL250004672861	0	43	-1.0	-42.99	339.87	6.36	-36.63
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1CCCCC1	REAL250004672861	1	43	-1.0	-43.01	339.93	6.38	-36.63
CC1=CC=C(C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1C	REAL250004672862	0	40	-1.0	-43.17	328.80	6.12	-37.05
CC1=CC=C(C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1C	REAL250004672862	1	40	-1.0	-43.16	328.86	6.13	-37.03
FC(F)COCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672863	0	31	-1.0	-45.31	284.73	1.97	-43.34
FC(F)COCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672863	1	31	-1.0	-45.31	284.78	1.99	-43.32
CC1=NC=CN=C1C(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672864	0	35	-1.0	-44.88	301.43	1.99	-42.89
CC1=NC=CN=C1C(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672864	1	35	-1.0	-44.90	301.49	2.01	-42.89
C1=NN(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004672865	0	33	-1.0	-52.73	294.90	4.84	-47.89
C1=NN(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004672865	1	33	-1.0	-52.73	294.85	4.82	-47.91
N#CC1CC(O)(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672866	0	33	-1.0	-55.02	289.52	1.19	-53.83
N#CC1CC(O)(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672866	1	33	-1.0	-55.04	289.57	1.21	-53.83
CC(C1=NC=CS1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672867	0	30	-1.0	-43.80	278.85	2.22	-41.58
CC(C1=NC=CS1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672867	1	30	-1.0	-43.81	278.91	2.24	-41.57
C1=C(CCC2=N[N-]N=N2)N=NN1CC1OCC2CCOC21	REAL250004672868	0	37	-1.0	-48.33	305.59	1.36	-46.97
C1=C(CCC2=NN=N[N-]2)N=NN1CC1OCC2CCOC21	REAL250004672868	1	37	-1.0	-48.32	305.65	1.37	-46.95
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL250004672869	0	30	-1.0	-46.04	271.00	2.87	-43.17
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL250004672869	1	30	-1.0	-46.07	271.06	2.88	-43.19
FC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672870	0	34	-1.0	-45.51	288.10	4.38	-41.13
FC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672870	1	34	-1.0	-45.53	288.16	4.40	-41.13
C1=C(CCC2=N[N-]N=N2)N=NN1C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004672871	0	38	-1.0	-45.51	324.90	6.74	-38.77
C1=C(CCC2=NN=N[N-]2)N=NN1C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250004672871	1	38	-1.0	-45.51	324.96	6.76	-38.75
CCC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672872	0	33	-1.0	-47.14	294.53	3.55	-43.59
CCC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672872	1	33	-1.0	-47.14	294.59	3.56	-43.58
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC(=O)N1	REAL250004672873	0	33	-1.0	-51.65	297.49	1.27	-50.38
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC(=O)N1	REAL250004672873	1	33	-1.0	-51.64	297.55	1.29	-50.35
N#CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004672874	0	31	-1.0	-49.57	291.69	3.21	-46.36
N#CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004672874	1	31	-1.0	-49.59	291.74	3.23	-46.36
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC2=C(CCCC2)N1	REAL250004672875	0	38	-1.0	-50.79	319.08	3.68	-47.11
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC2=C(CCCC2)N1	REAL250004672875	1	38	-1.0	-50.76	319.14	3.70	-47.06
FC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672876	0	37	-1.0	-44.01	299.78	4.96	-39.05
FC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672876	1	37	-1.0	-44.04	299.83	4.97	-39.07
ClC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672877	0	30	-1.0	-49.40	287.68	3.25	-46.15
ClC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672877	1	30	-1.0	-49.41	287.74	3.26	-46.15
C1=C(CCC2=N[N-]N=N2)N=NN1C[C@@H]1C[C@H]2COC[C@H]2O1	REAL250004672878	0	37	-1.0	-50.34	304.74	1.42	-48.92
C1=C(CCC2=NN=N[N-]2)N=NN1C[C@@H]1C[C@H]2COC[C@H]2O1	REAL250004672878	1	37	-1.0	-50.35	304.80	1.43	-48.92
CC(CN1C=C(CCC2=N[N-]N=N2)N=N1)CC(F)(F)F	REAL250004672879	0	33	-1.0	-46.82	291.63	4.13	-42.69
CC(CN1C=C(CCC2=NN=N[N-]2)N=N1)CC(F)(F)F	REAL250004672879	1	33	-1.0	-46.82	291.69	4.15	-42.67
CC1(C)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CCO1	REAL250004672880	0	41	-1.0	-43.65	324.95	3.79	-39.86
CC1(C)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CCO1	REAL250004672880	1	41	-1.0	-43.64	325.00	3.81	-39.83
CC1CC(C)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672881	0	43	-1.0	-43.02	336.70	6.14	-36.88
CC1CC(C)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672881	1	43	-1.0	-42.99	336.76	6.15	-36.84
CCS(=O)(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672882	0	33	-1.0	-49.69	301.29	0.06	-49.63
CCS(=O)(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672882	1	33	-1.0	-49.69	301.34	0.07	-49.62
NS(=O)(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672883	0	29	-1.0	-50.38	273.06	-3.40	-53.78
NS(=O)(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672883	1	29	-1.0	-50.35	273.11	-3.38	-53.73
CNS(=O)(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672884	0	32	-1.0	-48.94	294.29	-2.17	-51.11
CNS(=O)(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672884	1	32	-1.0	-48.94	294.34	-2.16	-51.10
FC1(F)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC1	REAL250004672885	0	35	-1.0	-45.78	303.31	2.87	-42.91
FC1(F)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC1	REAL250004672885	1	35	-1.0	-45.79	303.37	2.89	-42.90
C[C@@H]1CCC[C@H]1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672886	0	37	-1.0	-43.16	302.50	4.93	-38.23
C[C@@H]1CCC[C@H]1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672886	1	37	-1.0	-43.17	302.55	4.94	-38.23
C1=C(CCC2=N[N-]N=N2)N=NN1CCSC1CCOC1	REAL250004672887	0	36	-1.0	-43.33	317.55	3.18	-40.15
C1=C(CCC2=NN=N[N-]2)N=NN1CCSC1CCOC1	REAL250004672887	1	36	-1.0	-43.35	317.60	3.19	-40.16
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672889	0	30	-1.0	-46.74	282.62	2.34	-44.40
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672889	1	30	-1.0	-46.74	282.68	2.35	-44.39
CCC(COC)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672890	0	34	-1.0	-41.63	287.56	2.11	-39.52
CCC(COC)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672890	1	34	-1.0	-41.62	287.62	2.13	-39.49
COCC(C)(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672891	0	35	-1.0	-49.08	298.62	-0.32	-49.40
COCC(C)(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672891	1	35	-1.0	-49.07	298.68	-0.30	-49.37
C1=C(CCC2=N[N-]N=N2)N=NN1CCCCC1CC1	REAL250004672892	0	37	-1.0	-43.15	312.29	5.51	-37.64
C1=C(CCC2=NN=N[N-]2)N=NN1CCCCC1CC1	REAL250004672892	1	37	-1.0	-43.16	312.35	5.53	-37.63
FC1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672893	0	31	-1.0	-46.22	271.02	3.76	-42.46
FC1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672893	1	31	-1.0	-46.23	271.08	3.78	-42.45
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NN=C2CCCN12	REAL250004672894	0	34	-1.0	-52.35	296.72	4.12	-48.23
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NN=C2CCCN12	REAL250004672894	1	34	-1.0	-52.35	296.78	4.14	-48.21
CC(C1=NC=CS1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672895	0	30	-1.0	-43.80	278.85	2.22	-41.58
CC(C1=NC=CS1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672895	1	30	-1.0	-43.81	278.91	2.24	-41.57
FCCN1C=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672896	0	34	-1.0	-49.16	307.12	3.33	-45.83
FCCN1C=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672896	1	34	-1.0	-49.18	307.18	3.35	-45.83
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CSC=C1	REAL250004672897	0	32	-1.0	-46.04	295.88	1.16	-44.88
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CSC=C1	REAL250004672897	1	32	-1.0	-46.03	295.93	1.17	-44.86
N#CC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=CS1	REAL250004672898	0	29	-1.0	-49.68	285.91	4.03	-45.65
N#CC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=CS1	REAL250004672898	1	29	-1.0	-49.69	285.97	4.05	-45.64
CCC1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672899	0	33	-1.0	-47.14	294.53	3.55	-43.59
CCC1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672899	1	33	-1.0	-47.14	294.59	3.56	-43.58
C1=C(CCC2=N[N-]N=N2)N=NN1CCN1CCOCC1	REAL250004672901	0	37	-1.0	-43.60	304.53	0.10	-43.50
C1=C(CCC2=NN=N[N-]2)N=NN1CCN1CCOCC1	REAL250004672901	1	37	-1.0	-43.57	304.58	0.11	-43.46
CC(O)(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672902	0	35	-1.0	-46.05	288.49	1.09	-44.96
CC(O)(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672902	1	35	-1.0	-46.06	288.55	1.10	-44.96
OCC1=CC=CC=C1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672903	0	38	-1.0	-44.51	322.57	2.71	-41.80
OCC1=CC=CC=C1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672903	1	38	-1.0	-44.56	322.63	2.72	-41.84
CCCC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672904	0	39	-1.0	-47.35	334.59	5.01	-42.34
CCCC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672904	1	39	-1.0	-47.39	334.65	5.02	-42.37
CC1(C)CCOC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672905	0	38	-1.0	-46.11	307.73	2.90	-43.21
CC1(C)CCOC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672905	1	38	-1.0	-46.12	307.78	2.91	-43.21
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1(O)CCOC1	REAL250004672906	0	37	-1.0	-46.01	310.43	-3.58	-49.59
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1(O)CCOC1	REAL250004672906	1	37	-1.0	-45.99	310.49	-3.56	-49.55
CN1C=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672907	0	31	-1.0	-50.12	278.17	3.90	-46.22
CN1C=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672907	1	31	-1.0	-50.10	278.23	3.92	-46.18
CC(CC(F)F)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672908	0	33	-1.0	-44.90	286.25	4.01	-40.89
CC(CC(F)F)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672908	1	33	-1.0	-44.93	286.31	4.02	-40.91
CC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C(F)=C1	REAL250004672909	0	34	-1.0	-44.39	303.13	5.34	-39.05
CC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(F)=C1	REAL250004672909	1	34	-1.0	-44.41	303.19	5.36	-39.05
FC1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672910	0	37	-1.0	-47.19	303.87	5.09	-42.10
FC1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672910	1	37	-1.0	-47.20	303.93	5.10	-42.10
CN1N=CC=C1C(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672911	0	35	-1.0	-48.15	306.93	-0.33	-48.48
CN1N=CC=C1C(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672911	1	35	-1.0	-48.16	306.98	-0.31	-48.47
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672912	0	29	-1.0	-47.94	267.71	0.12	-47.82
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672912	1	29	-1.0	-47.91	267.76	0.13	-47.78
N#CC1(OCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL250004672913	0	36	-1.0	-48.19	316.50	3.10	-45.09
N#CC1(OCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL250004672913	1	36	-1.0	-48.18	316.56	3.12	-45.06
FC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672914	0	30	-1.0	-46.26	276.46	2.82	-43.44
FC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672914	1	30	-1.0	-46.25	276.51	2.84	-43.41
O=C1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CN1	REAL250004672915	0	35	-1.0	-50.27	296.28	0.99	-49.28
O=C1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CN1	REAL250004672915	1	35	-1.0	-50.27	296.33	1.00	-49.27
O=C1CCCC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672916	0	37	-1.0	-46.77	314.79	4.40	-42.37
O=C1CCCC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672916	1	37	-1.0	-46.76	314.85	4.42	-42.34
C[C@@H]1CCO[C@@H]1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672917	0	35	-1.0	-46.67	286.26	2.39	-44.28
C[C@@H]1CCO[C@@H]1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672917	1	35	-1.0	-46.66	286.31	2.40	-44.26
N#CC(OCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672918	0	36	-1.0	-45.29	323.03	3.63	-41.66
N#CC(OCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672918	1	36	-1.0	-45.30	323.08	3.65	-41.65
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC(C2CC2)=CC=C1	REAL250004672919	0	38	-1.0	-44.20	325.35	6.74	-37.46
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC(C2CC2)=CC=C1	REAL250004672919	1	38	-1.0	-44.23	325.41	6.75	-37.48
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CN=C(C2CC2)N=C1	REAL250004672920	0	36	-1.0	-48.35	318.13	4.29	-44.06
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CN=C(C2CC2)N=C1	REAL250004672920	1	36	-1.0	-48.37	318.18	4.31	-44.06
COCC1=NOC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672921	0	34	-1.0	-49.00	305.63	1.66	-47.34
COCC1=NOC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672921	1	34	-1.0	-49.05	305.69	1.68	-47.37
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCCCO1	REAL250004672922	0	38	-1.0	-45.19	302.98	3.79	-41.40
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCCCO1	REAL250004672922	1	38	-1.0	-45.17	303.03	3.81	-41.36
C[C@@H]1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)O1	REAL250004672923	0	38	-1.0	-44.18	303.55	3.19	-40.99
C[C@@H]1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL250004672923	1	38	-1.0	-44.20	303.61	3.21	-40.99
FC1(F)CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672924	0	37	-1.0	-44.32	310.22	5.17	-39.15
FC1(F)CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672924	1	37	-1.0	-44.37	310.28	5.18	-39.19
COCC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672925	0	33	-1.0	-51.32	301.90	-3.37	-54.69
COCC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672925	1	33	-1.0	-51.34	301.96	-3.36	-54.70
C=C(C)CCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672926	0	37	-1.0	-42.63	309.19	4.78	-37.85
C=C(C)CCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672926	1	37	-1.0	-42.62	309.24	4.80	-37.82
C[C@@H]1[C@@H](CN2C=C(CCC3=N[N-]N=N3)N=N2)C1(F)F	REAL250004672927	0	31	-1.0	-47.08	279.79	3.96	-43.12
C[C@@H]1[C@@H](CN2C=C(CCC3=NN=N[N-]3)N=N2)C1(F)F	REAL250004672927	1	31	-1.0	-47.10	279.85	3.97	-43.13
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC1	REAL250004672928	0	35	-1.0	-45.71	290.62	1.61	-44.10
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL250004672928	1	35	-1.0	-45.69	290.68	1.63	-44.06
CCN1C=NN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672929	0	33	-1.0	-54.58	290.17	4.44	-50.14
CCN1C=NN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672929	1	33	-1.0	-54.57	290.23	4.46	-50.11
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CC2CCC1C2	REAL250004672930	0	41	-1.0	-42.60	319.96	5.87	-36.73
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CC2CCC1C2	REAL250004672930	1	41	-1.0	-42.61	320.02	5.88	-36.73
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CN(C2CC2)N=N1	REAL250004672931	0	34	-1.0	-53.65	302.64	2.65	-51.00
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CN(C2CC2)N=N1	REAL250004672931	1	34	-1.0	-53.64	302.70	2.66	-50.98
CC1=CC=C(F)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672932	0	34	-1.0	-44.23	303.10	5.32	-38.91
CC1=CC=C(F)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672932	1	34	-1.0	-44.24	303.16	5.34	-38.90
CN(C)C1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672933	0	38	-1.0	-48.51	324.51	4.39	-44.12
CN(C)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672933	1	38	-1.0	-48.49	324.57	4.41	-44.08
CCCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672934	0	37	-1.0	-46.76	312.25	1.44	-45.32
CCCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672934	1	37	-1.0	-46.75	312.30	1.45	-45.30
FC1(F)CC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672935	0	28	-1.0	-47.78	259.95	3.32	-44.46
FC1(F)CC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672935	1	28	-1.0	-47.77	260.00	3.34	-44.43
C1=C(CCC2=N[N-]N=N2)N=NN1CC1C=CCCC1	REAL250004672936	0	35	-1.0	-43.51	290.96	4.94	-38.57
C1=C(CCC2=NN=N[N-]2)N=NN1CC1C=CCCC1	REAL250004672936	1	35	-1.0	-43.51	291.02	4.95	-38.56
FC1(F)CC12CC(CN1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL250004672937	0	35	-1.0	-48.72	310.04	5.25	-43.47
FC1(F)CC12CC(CN1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL250004672937	1	35	-1.0	-48.80	310.10	5.27	-43.53
C(CN1C=C(CCC2=N[N-]N=N2)N=N1)=C1CCOCC1	REAL250004672938	0	36	-1.0	-44.30	299.95	3.10	-41.20
C(CN1C=C(CCC2=NN=N[N-]2)N=N1)=C1CCOCC1	REAL250004672938	1	36	-1.0	-44.29	300.01	3.11	-41.18
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CC=C1F	REAL250004672939	0	34	-1.0	-45.17	302.85	5.33	-39.84
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=C1F	REAL250004672939	1	34	-1.0	-45.14	302.90	5.34	-39.80
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2=CC=CC=C2O1	REAL250004672940	0	36	-1.0	-50.36	310.43	4.67	-45.69
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2=CC=CC=C2O1	REAL250004672940	1	36	-1.0	-50.39	310.49	4.69	-45.70
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2(CCC2)C1	REAL250004672941	0	38	-1.0	-43.48	312.97	5.53	-37.95
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2(CCC2)C1	REAL250004672941	1	38	-1.0	-43.47	313.03	5.55	-37.92
CC1CC(C)(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672942	0	37	-1.0	-43.30	294.58	4.67	-38.63
CC1CC(C)(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672942	1	37	-1.0	-43.27	294.64	4.68	-38.59
CC(C)(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672943	0	40	-1.0	-53.54	332.54	2.37	-51.17
CC(C)(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672943	1	40	-1.0	-53.55	332.60	2.38	-51.17
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC2(CC2)C1	REAL250004672944	0	35	-1.0	-43.71	296.47	5.07	-38.64
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC2(CC2)C1	REAL250004672944	1	35	-1.0	-43.72	296.53	5.09	-38.63
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCOCC1	REAL250004672945	0	36	-1.0	-54.56	304.03	0.81	-53.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCOCC1	REAL250004672945	1	36	-1.0	-54.57	304.08	0.83	-53.74
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCCC1	REAL250004672946	0	40	-1.0	-42.69	318.37	5.57	-37.12
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCCC1	REAL250004672946	1	40	-1.0	-42.70	318.43	5.59	-37.11
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCOCC1	REAL250004672947	0	38	-1.0	-44.68	309.52	3.19	-41.49
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCOCC1	REAL250004672947	1	38	-1.0	-44.68	309.57	3.20	-41.48
CNS(=O)(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672948	0	32	-1.0	-48.94	294.29	-2.17	-51.11
CNS(=O)(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672948	1	32	-1.0	-48.94	294.34	-2.16	-51.10
ClC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=CS1	REAL250004672949	0	28	-1.0	-43.76	283.16	4.19	-39.57
ClC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CS1	REAL250004672949	1	28	-1.0	-43.77	283.22	4.20	-39.57
CC1=NN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)=C1	REAL250004672950	0	37	-1.0	-43.97	320.27	3.67	-40.30
CC1=NN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=C1	REAL250004672950	1	37	-1.0	-43.99	320.33	3.69	-40.30
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCOC1	REAL250004672951	0	35	-1.0	-45.73	286.07	2.54	-43.19
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCOC1	REAL250004672951	1	35	-1.0	-45.71	286.13	2.55	-43.16
COC1(OC)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672952	0	39	-1.0	-45.75	326.44	2.59	-43.16
COC1(OC)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672952	1	39	-1.0	-45.76	326.50	2.60	-43.16
C=CCC1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672953	0	38	-1.0	-43.95	322.67	6.43	-37.52
C=CCC1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672953	1	38	-1.0	-43.94	322.72	6.44	-37.50
C=CCC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672954	0	38	-1.0	-43.76	331.83	6.62	-37.14
C=CCC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672954	1	38	-1.0	-43.80	331.89	6.63	-37.17
C1=C(CCC2=N[N-]N=N2)N=NN1CCCC1CCCC1	REAL250004672955	0	40	-1.0	-42.99	323.39	5.78	-37.21
C1=C(CCC2=NN=N[N-]2)N=NN1CCCC1CCCC1	REAL250004672955	1	40	-1.0	-43.02	323.44	5.79	-37.23
C1=C(CCC2=N[N-]N=N2)N=NN1CC1C=CCCCC1	REAL250004672956	0	38	-1.0	-43.76	303.64	5.32	-38.44
C1=C(CCC2=NN=N[N-]2)N=NN1CC1C=CCCCC1	REAL250004672956	1	38	-1.0	-43.75	303.69	5.34	-38.41
CC1(C)CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672957	0	43	-1.0	-42.77	329.00	5.80	-36.97
CC1(C)CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672957	1	43	-1.0	-42.80	329.05	5.82	-36.98
CCC1=CSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672958	0	33	-1.0	-46.89	303.86	3.15	-43.74
CCC1=CSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672958	1	33	-1.0	-46.90	303.91	3.17	-43.73
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1COCCO1	REAL250004672959	0	36	-1.0	-44.83	303.08	1.64	-43.19
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1COCCO1	REAL250004672959	1	36	-1.0	-44.86	303.14	1.65	-43.21
CC1(CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672960	0	37	-1.0	-43.19	307.14	5.10	-38.09
CC1(CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672960	1	37	-1.0	-43.24	307.19	5.12	-38.12
CC1(C)CC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672961	0	37	-1.0	-42.89	309.33	5.09	-37.80
CC1(C)CC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672961	1	37	-1.0	-42.90	309.39	5.10	-37.80
COCC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672962	0	34	-1.0	-49.16	306.72	1.83	-47.33
COCC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672962	1	34	-1.0	-49.14	306.78	1.84	-47.30
COC[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)OC	REAL250004672963	0	35	-1.0	-46.71	300.00	0.94	-45.77
COC[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)OC	REAL250004672963	1	35	-1.0	-46.66	300.06	0.95	-45.71
CCC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004672964	0	33	-1.0	-48.18	294.54	3.55	-44.63
CCC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004672964	1	33	-1.0	-48.16	294.60	3.57	-44.59
OCC1COC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672965	0	36	-1.0	-49.95	303.74	-0.69	-50.64
OCC1COC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672965	1	36	-1.0	-49.95	303.80	-0.67	-50.62
CCC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672966	0	43	-1.0	-43.02	327.05	5.92	-37.10
CCC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672966	1	43	-1.0	-43.02	327.11	5.94	-37.08
CCC1=NN=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004672967	0	32	-1.0	-50.67	289.72	-1.66	-52.33
CCC1=NN=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004672967	1	32	-1.0	-50.66	289.78	-1.64	-52.30
OC(CC1CCCO1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672968	0	39	-1.0	-48.73	324.45	1.29	-47.44
OC(CC1CCCO1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672968	1	39	-1.0	-48.76	324.51	1.30	-47.46
CC1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672969	0	31	-1.0	-48.31	277.95	1.57	-46.74
CC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672969	1	31	-1.0	-48.26	278.00	1.59	-46.67
C1=C(CCC2=N[N-]N=N2)N=NN1C1CCC2(CCCC2)C1	REAL250004672970	0	41	-1.0	-41.44	318.68	5.62	-35.82
C1=C(CCC2=NN=N[N-]2)N=NN1C1CCC2(CCCC2)C1	REAL250004672970	1	41	-1.0	-41.47	318.73	5.63	-35.84
CC1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N(C)N=C1	REAL250004672971	0	34	-1.0	-47.17	296.42	2.80	-44.37
CC1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N(C)N=C1	REAL250004672971	1	34	-1.0	-47.23	296.47	2.82	-44.41
FC1CC12CC(CN1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL250004672972	0	35	-1.0	-45.72	303.25	5.16	-40.56
FC1CC12CC(CN1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL250004672972	1	35	-1.0	-45.72	303.31	5.18	-40.54
C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)ON=C1C1CC1	REAL250004672973	0	34	-1.0	-47.65	303.23	4.30	-43.35
C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)ON=C1C1CC1	REAL250004672973	1	34	-1.0	-47.66	303.28	4.31	-43.35
CC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672974	0	37	-1.0	-43.35	302.16	4.95	-38.40
CC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672974	1	37	-1.0	-43.34	302.22	4.96	-38.38
CCC(F)(F)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672975	0	33	-1.0	-42.19	290.20	4.02	-38.17
CCC(F)(F)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672975	1	33	-1.0	-42.21	290.26	4.04	-38.17
COCCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672976	0	40	-1.0	-43.52	319.77	3.34	-40.18
COCCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672976	1	40	-1.0	-43.52	319.83	3.36	-40.16
C1=CN2C(=N1)C=CC=C2CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672977	0	34	-1.0	-49.95	301.53	5.01	-44.94
C1=CN2C(=N1)C=CC=C2CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672977	1	34	-1.0	-49.99	301.47	4.99	-45.00
FC(F)C1=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N=CO1	REAL250004672978	0	30	-1.0	-47.67	280.02	0.27	-47.40
FC(F)C1=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)N=CO1	REAL250004672978	1	30	-1.0	-47.69	280.07	0.28	-47.41
O=C1NCCOC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672979	0	33	-1.0	-46.50	286.99	-1.30	-47.80
O=C1NCCOC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672979	1	33	-1.0	-46.51	287.04	-1.29	-47.80
CC(CC1CCOC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672980	0	38	-1.0	-45.95	309.38	3.05	-42.90
CC(CC1CCOC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672980	1	38	-1.0	-45.94	309.44	3.07	-42.87
CCC(C1=NN=CN1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672981	0	33	-1.0	-49.45	288.02	3.27	-46.18
CCC(C1=NN=CN1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672981	1	33	-1.0	-49.49	288.07	3.29	-46.20
CC1=CN(C)C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672982	0	34	-1.0	-47.45	297.99	3.60	-43.85
CC1=CN(C)C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672982	1	34	-1.0	-47.49	298.04	3.62	-43.87
O=C1C=CC=CN1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672983	0	34	-1.0	-54.54	301.40	3.72	-50.82
O=C1C=CC=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672983	1	34	-1.0	-54.51	301.46	3.73	-50.78
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C(C)S1	REAL250004672984	0	33	-1.0	-44.63	301.92	3.09	-41.54
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C(C)S1	REAL250004672984	1	33	-1.0	-44.63	301.98	3.11	-41.52
CC1CCC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672985	0	43	-1.0	-42.59	339.21	6.18	-36.41
CC1CCC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672985	1	43	-1.0	-42.58	339.27	6.20	-36.38
CC(C)CCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672986	0	40	-1.0	-41.86	332.28	3.75	-38.11
CC(C)CCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672986	1	40	-1.0	-41.85	332.33	3.76	-38.09
CC(CCN1C=C(CCC2=N[N-]N=N2)N=N1)C(F)F	REAL250004672987	0	33	-1.0	-45.31	288.16	3.90	-41.41
CC(CCN1C=C(CCC2=NN=N[N-]2)N=N1)C(F)F	REAL250004672987	1	33	-1.0	-45.30	288.22	3.92	-41.38
COCCOCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672988	0	38	-1.0	-48.03	326.84	1.68	-46.35
COCCOCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672988	1	38	-1.0	-48.04	326.89	1.70	-46.34
CC(C)C1=NOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004672989	0	35	-1.0	-49.05	310.01	1.33	-47.72
CC(C)C1=NOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004672989	1	35	-1.0	-49.07	310.07	1.34	-47.73
CCCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672990	0	37	-1.0	-46.76	312.25	1.44	-45.32
CCCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672990	1	37	-1.0	-46.75	312.30	1.45	-45.30
CC(C)C1=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NN1	REAL250004672991	0	37	-1.0	-47.59	318.53	2.94	-44.65
CC(C)C1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NN1	REAL250004672991	1	37	-1.0	-47.55	318.59	2.96	-44.59
CCN1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004672992	0	38	-1.0	-48.03	314.99	3.05	-44.98
CCN1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004672992	1	38	-1.0	-48.06	315.05	3.07	-44.99
CC1CCOC1CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672993	0	38	-1.0	-43.95	308.58	3.12	-40.83
CC1CCOC1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672993	1	38	-1.0	-44.00	308.63	3.13	-40.87
CCCC(CCC)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672994	0	42	-1.0	-43.02	332.56	5.85	-37.17
CCCC(CCC)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672994	1	42	-1.0	-43.04	332.62	5.87	-37.17
CCC(C)CC(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672995	0	42	-1.0	-42.29	328.66	5.61	-36.68
CCC(C)CC(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672995	1	42	-1.0	-42.29	328.71	5.63	-36.66
FC1(F)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC21	REAL250004672996	0	32	-1.0	-43.60	279.54	4.26	-39.34
FC1(F)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC21	REAL250004672996	1	32	-1.0	-43.59	279.60	4.27	-39.32
OC(CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCO1	REAL250004672998	0	36	-1.0	-45.07	301.33	-0.03	-45.10
OC(CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCO1	REAL250004672998	1	36	-1.0	-45.12	301.38	-0.01	-45.13
C[C@@H]1C[C@@H](N2C=C(CCC3=N[N-]N=N3)N=N2)CCO1	REAL250004672999	0	35	-1.0	-43.99	282.36	2.44	-41.55
C[C@@H]1C[C@@H](N2C=C(CCC3=NN=N[N-]3)N=N2)CCO1	REAL250004672999	1	35	-1.0	-43.96	282.42	2.46	-41.50
CN1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1=O	REAL250004673000	0	32	-1.0	-48.61	278.30	1.42	-47.19
CN1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1=O	REAL250004673000	1	32	-1.0	-48.65	278.36	1.44	-47.21
N#CCC1=CC=CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004673001	0	34	-1.0	-52.78	312.69	3.93	-48.85
N#CCC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004673001	1	34	-1.0	-52.73	312.75	3.95	-48.78
CCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673002	0	34	-1.0	-42.07	293.21	2.45	-39.62
CCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673002	1	34	-1.0	-42.06	293.27	2.47	-39.59
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=NC=NC=C1	REAL250004673003	0	29	-1.0	-48.53	265.73	2.62	-45.91
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=NC=NC=C1	REAL250004673003	1	29	-1.0	-48.52	265.79	2.63	-45.89
CC(C)(C)C1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004673004	0	43	-1.0	-42.99	337.26	5.88	-37.11
CC(C)(C)C1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004673004	1	43	-1.0	-42.98	337.32	5.89	-37.09
CC1(C)CC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)CO1	REAL250004673005	0	41	-1.0	-44.39	334.73	3.94	-40.45
CC1(C)CC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CO1	REAL250004673005	1	41	-1.0	-44.41	334.79	3.95	-40.46
COC1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL250004673006	0	34	-1.0	-47.59	303.24	1.35	-46.24
COC1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL250004673006	1	34	-1.0	-47.57	303.18	1.34	-46.23
COC1=CC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673007	0	34	-1.0	-47.05	299.50	2.17	-44.88
COC1=CC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673007	1	34	-1.0	-47.05	299.56	2.19	-44.86
CC1=NC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=C(C)O1	REAL250004673008	0	33	-1.0	-49.88	293.26	0.71	-49.17
CC1=NC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C(C)O1	REAL250004673008	1	33	-1.0	-49.89	293.31	0.73	-49.16
OC(CCC1CC1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673009	0	38	-1.0	-46.41	321.06	2.37	-44.04
OC(CCC1CC1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673009	1	38	-1.0	-46.37	321.12	2.38	-43.99
C1=CSC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL250004673010	0	27	-1.0	-46.69	260.92	1.76	-44.93
C1=CSC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL250004673010	1	27	-1.0	-46.70	260.97	1.78	-44.92
OCC1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)OC1	REAL250004673011	0	39	-1.0	-47.23	322.83	0.01	-47.22
OCC1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)OC1	REAL250004673011	1	39	-1.0	-47.24	322.89	0.03	-47.21
CC1(C)COCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004673012	0	39	-1.0	-47.41	318.22	2.29	-45.12
CC1(C)COCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004673012	1	39	-1.0	-47.41	318.28	2.31	-45.10
C1=CN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=C1	REAL250004673013	0	31	-1.0	-44.92	278.64	2.62	-42.30
C1=CN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=C1	REAL250004673013	1	31	-1.0	-44.93	278.58	2.60	-42.33
O=C1OCCCC1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673014	0	31	-1.0	-44.83	264.75	2.48	-42.35
O=C1OCCCC1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673014	1	31	-1.0	-44.85	264.81	2.50	-42.35
C1=C(CCC2=N[N-]N=N2)N=NN1CC1(C2CCCO2)CC1	REAL250004673015	0	39	-1.0	-45.66	319.31	4.00	-41.66
C1=C(CCC2=NN=N[N-]2)N=NN1CC1(C2CCCO2)CC1	REAL250004673015	1	39	-1.0	-45.65	319.37	4.01	-41.64
CCCCCSCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673016	0	40	-1.0	-41.60	346.88	6.09	-35.51
CCCCCSCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673016	1	40	-1.0	-41.60	346.94	6.10	-35.50
CCCC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673017	0	34	-1.0	-46.70	290.75	0.66	-46.04
CCCC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673017	1	34	-1.0	-46.70	290.80	0.67	-46.03
C1=C(CCC2=N[N-]N=N2)N=NN1CCC1CCCOC1	REAL250004673018	0	38	-1.0	-43.54	309.47	3.20	-40.34
C1=C(CCC2=NN=N[N-]2)N=NN1CCC1CCCOC1	REAL250004673018	1	38	-1.0	-43.59	309.52	3.21	-40.38
CC1CCC(CCN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL250004673019	0	38	-1.0	-44.02	315.44	3.52	-40.50
CC1CCC(CCN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL250004673019	1	38	-1.0	-44.02	315.49	3.53	-40.49
CN1C=C(CCN2C=C(CCC3=N[N-]N=N3)N=N2)N=N1	REAL250004673020	0	33	-1.0	-49.65	294.38	1.89	-47.76
CN1C=C(CCN2C=C(CCC3=NN=N[N-]3)N=N2)N=N1	REAL250004673020	1	33	-1.0	-49.63	294.44	1.91	-47.72
CC1(C)CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NO1	REAL250004673021	0	35	-1.0	-54.53	301.61	2.84	-51.69
CC1(C)CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NO1	REAL250004673021	1	35	-1.0	-54.53	301.67	2.85	-51.68
CCCC(C1=CC=CC=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673022	0	40	-1.0	-41.27	329.86	6.26	-35.01
CCCC(C1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673022	1	40	-1.0	-41.27	329.92	6.28	-34.99
CC1=NC=CN=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004673023	0	32	-1.0	-46.28	283.08	1.43	-44.85
CC1=NC=CN=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004673023	1	32	-1.0	-46.27	283.14	1.44	-44.83
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC=CCCC1	REAL250004673024	0	41	-1.0	-44.73	318.63	5.83	-38.90
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC=CCCC1	REAL250004673024	1	41	-1.0	-44.69	318.68	5.85	-38.84
FC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673025	0	28	-1.0	-36.72	259.41	5.55	-31.17
FC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673025	1	28	-1.0	-36.73	259.35	5.53	-31.20
COC1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673026	0	32	-1.0	-41.59	280.31	5.05	-36.54
COC1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673026	1	32	-1.0	-41.56	280.26	5.04	-36.52
O=C(NC1=CC=CC=C1)C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673027	0	32	-1.0	-38.27	289.08	3.79	-34.48
O=C(NC1=CC=CC=C1)C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673027	1	32	-1.0	-38.23	289.02	3.77	-34.46
CCOC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673028	0	35	-1.0	-38.34	304.31	5.71	-32.63
CCOC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673028	1	35	-1.0	-38.40	304.25	5.70	-32.70
CC1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673029	0	31	-1.0	-37.85	268.36	6.37	-31.48
CC1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673029	1	31	-1.0	-37.84	268.31	6.35	-31.49
COC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673030	0	32	-1.0	-38.62	282.45	4.79	-33.83
COC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673030	1	32	-1.0	-38.66	282.39	4.77	-33.89
CCC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673031	0	34	-1.0	-37.85	295.89	6.92	-30.93
CCC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673031	1	34	-1.0	-37.88	295.84	6.91	-30.97
CC(C)C1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673032	0	37	-1.0	-37.64	313.17	7.40	-30.24
CC(C)C1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673032	1	37	-1.0	-37.64	313.12	7.38	-30.26
NC1=NC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)S1	REAL250004673033	0	26	-1.0	-39.15	254.87	1.70	-37.45
NC1=NC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)S1	REAL250004673033	1	26	-1.0	-39.19	254.81	1.69	-37.50
ClC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673034	0	28	-1.0	-36.47	269.73	6.00	-30.47
ClC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673034	1	28	-1.0	-36.45	269.68	5.98	-30.47
O=C1N=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=CN1	REAL250004673035	0	27	-1.0	-48.62	254.35	0.33	-48.29
O=C1N=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=CN1	REAL250004673035	1	27	-1.0	-48.67	254.29	0.32	-48.35
FC1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673036	0	28	-1.0	-41.62	257.54	5.60	-36.02
FC1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673036	1	28	-1.0	-41.64	257.48	5.59	-36.05
O=[N+]([O-])C1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)O1	REAL250004673037	0	27	-1.0	-37.79	266.27	4.27	-33.52
O=[N+]([O-])C1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)O1	REAL250004673037	1	27	-1.0	-37.79	266.21	4.25	-33.54
FC1=CC=CC(C2=NOC(CCC3=NN=N[N-]3)=C2)=C1	REAL250004673038	0	28	-1.0	-37.06	259.42	5.55	-31.51
FC1=CC=CC(C2=NOC(CCC3=N[N-]N=N3)=C2)=C1	REAL250004673038	1	28	-1.0	-37.05	259.36	5.53	-31.52
CC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673039	0	31	-1.0	-38.14	274.41	6.16	-31.98
CC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673039	1	31	-1.0	-38.06	274.35	6.14	-31.92
CC(C)(C)C1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673040	0	40	-1.0	-37.55	329.13	7.80	-29.75
CC(C)(C)C1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673040	1	40	-1.0	-37.54	329.08	7.79	-29.75
O=[N+]([O-])C1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673041	0	30	-1.0	-46.88	277.69	6.12	-40.76
O=[N+]([O-])C1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673041	1	30	-1.0	-46.86	277.63	6.11	-40.75
CC1=CC=C(NC(=O)C2=NOC(CCC3=NN=N[N-]3)=C2)C=C1	REAL250004673042	0	35	-1.0	-38.38	310.77	4.45	-33.93
CC1=CC=C(NC(=O)C2=NOC(CCC3=N[N-]N=N3)=C2)C=C1	REAL250004673042	1	35	-1.0	-38.37	310.71	4.44	-33.93
CC1=NOC2=NC=C(C3=NOC(CCC4=N[N-]N=N4)=C3)C=C12	REAL250004673043	0	32	-1.0	-39.23	291.41	2.86	-36.37
CC1=NOC2=NC=C(C3=NOC(CCC4=NN=N[N-]4)=C3)C=C12	REAL250004673043	1	32	-1.0	-39.23	291.47	2.88	-36.35
CCOC1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673044	0	35	-1.0	-41.64	302.17	5.98	-35.66
CCOC1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673044	1	35	-1.0	-41.65	302.11	5.96	-35.69
CC(C)OC1=CC=CC=C1C1=NOC(CCC2=NN=N[N-]2)=C1	REAL250004673045	0	38	-1.0	-41.67	320.09	6.60	-35.07
CC(C)OC1=CC=CC=C1C1=NOC(CCC2=N[N-]N=N2)=C1	REAL250004673045	1	38	-1.0	-41.68	320.03	6.59	-35.09
ClC1=CC=C(C2=NOC(CCC3=N[N-]N=N3)=C2)N=C1	REAL250004673046	0	27	-1.0	-36.63	266.18	4.23	-32.40
ClC1=CC=C(C2=NOC(CCC3=NN=N[N-]3)=C2)N=C1	REAL250004673046	1	27	-1.0	-36.62	266.24	4.24	-32.38
CN1N=CC2=C(C(=O)OCC3=NN=N[N-]3)N=CN=C21	REAL250004673047	0	26	-1.0	-39.56	248.01	2.59	-36.97
CN1N=CC2=C(C(=O)OCC3=N[N-]N=N3)N=CN=C21	REAL250004673047	1	26	-1.0	-39.56	247.95	2.57	-36.99
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2(F)COC2)C=C1	REAL250004673048	0	30	-1.0	-38.92	272.60	3.63	-35.29
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL250004673048	1	30	-1.0	-38.90	272.66	3.64	-35.26
O=C(OCC1=N[N-]N=N1)C1CCOC2(CCOCC2)C1	REAL250004673049	0	37	-1.0	-37.30	291.46	2.45	-34.85
O=C(OCC1=NN=N[N-]1)C1CCOC2(CCOCC2)C1	REAL250004673049	1	37	-1.0	-37.33	291.51	2.46	-34.87
O=C(OCC1=N[N-]N=N1)C1=CC2=C(SC=C2)S1	REAL250004673050	0	22	-1.0	-38.99	238.67	4.30	-34.69
O=C(OCC1=NN=N[N-]1)C1=CC2=C(SC=C2)S1	REAL250004673050	1	22	-1.0	-38.98	238.72	4.31	-34.67
N#CC1=CC=C(COCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673051	0	30	-1.0	-42.06	287.74	4.93	-37.13
N#CC1=CC=C(COCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673051	1	30	-1.0	-42.06	287.80	4.95	-37.11
CC1=CC=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673052	0	25	-1.0	-39.86	244.22	4.83	-35.03
CC1=CC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673052	1	25	-1.0	-39.86	244.27	4.85	-35.01
COC1=CC(C)=C2C=C(C(=O)OCC3=N[N-]N=N3)OC2=C1	REAL250004673053	0	32	-1.0	-42.12	289.57	4.17	-37.95
COC1=CC(C)=C2C=C(C(=O)OCC3=NN=N[N-]3)OC2=C1	REAL250004673053	1	32	-1.0	-42.11	289.62	4.19	-37.92
CCC(CC(=O)OCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004673054	0	37	-1.0	-38.21	306.65	7.09	-31.12
CCC(CC(=O)OCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004673054	1	37	-1.0	-38.19	306.71	7.09	-31.10
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004673055	0	27	-1.0	-39.69	257.69	3.35	-36.34
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL250004673055	1	27	-1.0	-39.70	257.75	3.36	-36.34
O=C(OCC1=N[N-]N=N1)C1=COC2=C1NC(=O)CCC2	REAL250004673056	0	30	-1.0	-41.40	269.53	1.49	-39.91
O=C(OCC1=NN=N[N-]1)C1=COC2=C1NC(=O)CCC2	REAL250004673056	1	30	-1.0	-41.38	269.59	1.50	-39.88
O=C(OCC1=NN=N[N-]1)C1=CN=C2SC=CN12	REAL250004673057	0	22	-1.0	-39.14	226.78	3.43	-35.71
O=C(OCC1=N[N-]N=N1)C1=CN=C2SC=CN12	REAL250004673057	1	22	-1.0	-39.17	226.72	3.41	-35.76
CC1=NC=C(CCC(=O)OCC2=N[N-]N=N2)S1	REAL250004673058	0	27	-1.0	-38.46	260.52	3.31	-35.15
CC1=NC=C(CCC(=O)OCC2=NN=N[N-]2)S1	REAL250004673058	1	27	-1.0	-38.44	260.57	3.32	-35.12
CC1(C(=O)OCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL250004673059	0	32	-1.0	-37.36	274.50	6.14	-31.22
CC1(C(=O)OCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL250004673059	1	32	-1.0	-37.33	274.55	6.15	-31.18
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL250004673060	0	28	-1.0	-38.61	272.08	5.61	-33.00
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004673060	1	28	-1.0	-38.58	272.14	5.62	-32.96
CC1=CC=CC2=C(C(=O)OCC3=NN=N[N-]3)N=CC=C12	REAL250004673061	0	30	-1.0	-45.54	264.89	4.63	-40.91
CC1=CC=CC2=C(C(=O)OCC3=N[N-]N=N3)N=CC=C12	REAL250004673061	1	30	-1.0	-45.55	264.83	4.62	-40.93
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2NC1=O	REAL250004673062	0	28	-1.0	-52.26	266.45	3.81	-48.45
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL250004673062	1	28	-1.0	-52.28	266.50	3.82	-48.46
CCCCCCOC(C)C(=O)OCC1=N[N-]N=N1	REAL250004673063	0	37	-1.0	-37.97	313.23	5.35	-32.62
CCCCCCOC(C)C(=O)OCC1=NN=N[N-]1	REAL250004673063	1	37	-1.0	-37.98	313.28	5.37	-32.61
O=C(OCC1=NN=N[N-]1)C1=NC2=CC=NC=C2C=C1	REAL250004673064	0	26	-1.0	-45.94	247.22	2.36	-43.58
O=C(OCC1=N[N-]N=N1)C1=NC2=CC=NC=C2C=C1	REAL250004673064	1	26	-1.0	-45.92	247.17	2.34	-43.58
C[C@]1(C(=O)OCC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL250004673065	0	32	-1.0	-38.52	274.64	6.26	-32.26
C[C@]1(C(=O)OCC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250004673065	1	32	-1.0	-38.53	274.70	6.28	-32.25
CC1=C(CCC(=O)OCC2=N[N-]N=N2)SC=N1	REAL250004673066	0	27	-1.0	-38.24	257.78	3.10	-35.14
CC1=C(CCC(=O)OCC2=NN=N[N-]2)SC=N1	REAL250004673066	1	27	-1.0	-38.24	257.84	3.12	-35.12
O=C(OCC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004673067	0	35	-1.0	-40.86	313.07	8.23	-32.63
O=C(OCC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL250004673067	1	35	-1.0	-40.88	313.13	8.25	-32.63
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673068	0	30	-1.0	-41.60	281.18	6.31	-35.29
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673068	1	30	-1.0	-41.61	281.23	6.33	-35.28
O=C(CC1=CC=CC(C2CC2)=C1)OCC1=N[N-]N=N1	REAL250004673069	0	32	-1.0	-38.62	281.63	6.66	-31.96
O=C(CC1=CC=CC(C2CC2)=C1)OCC1=NN=N[N-]1	REAL250004673069	1	32	-1.0	-38.56	281.69	6.67	-31.89
COC1=CC(Cl)=C(F)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673070	0	26	-1.0	-39.36	260.46	3.59	-35.77
COC1=CC(Cl)=C(F)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673070	1	26	-1.0	-39.34	260.52	3.60	-35.74
O=C(CC1=CC2=CC(Cl)=CC=C2N1)OCC1=N[N-]N=N1	REAL250004673071	0	29	-1.0	-39.47	281.11	4.96	-34.51
O=C(CC1=CC2=CC(Cl)=CC=C2N1)OCC1=NN=N[N-]1	REAL250004673071	1	29	-1.0	-39.48	281.17	4.98	-34.50
CC(CC(=O)OCC1=NN=N[N-]1)C1=CN(C)N=C1	REAL250004673072	0	31	-1.0	-40.48	272.81	3.57	-36.91
CC(CC(=O)OCC1=N[N-]N=N1)C1=CN(C)N=C1	REAL250004673072	1	31	-1.0	-40.49	272.75	3.56	-36.93
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004673073	0	31	-1.0	-42.19	269.40	6.45	-35.74
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004673073	1	31	-1.0	-42.24	269.34	6.44	-35.80
O=C(OCC1=N[N-]N=N1)C1CC1(F)C1=CC=CC=C1	REAL250004673074	0	29	-1.0	-38.44	259.87	5.75	-32.69
O=C(OCC1=NN=N[N-]1)C1CC1(F)C1=CC=CC=C1	REAL250004673074	1	29	-1.0	-38.41	259.93	5.77	-32.64
COC(=O)[C@@H]1CC[C@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004673075	0	31	-1.0	-41.75	270.67	4.11	-37.64
COC(=O)[C@@H]1CC[C@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004673075	1	31	-1.0	-41.77	270.73	4.12	-37.65
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2CCC2)=N1	REAL250004673076	0	32	-1.0	-39.71	280.22	4.16	-35.55
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2CCC2)=N1	REAL250004673076	1	32	-1.0	-39.70	280.28	4.18	-35.52
CC1=CC=CC(C(=O)NC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673077	0	35	-1.0	-39.31	308.86	3.86	-35.45
CC1=CC=CC(C(=O)NC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673077	1	35	-1.0	-39.35	308.92	3.87	-35.48
CC1=CC=CC=C1N1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004673078	0	31	-1.0	-45.46	281.40	4.25	-41.21
CC1=CC=CC=C1N1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004673078	1	31	-1.0	-45.45	281.35	4.24	-41.21
CCOC1=CC=C(CC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673079	0	38	-1.0	-38.11	321.67	6.04	-32.07
CCOC1=CC=C(CC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673079	1	38	-1.0	-38.09	321.73	6.06	-32.03
O=C(OCC1=N[N-]N=N1)C1CCC2=CC=CC=C2O1	REAL250004673080	0	30	-1.0	-39.04	264.88	5.18	-33.86
O=C(OCC1=NN=N[N-]1)C1CCC2=CC=CC=C2O1	REAL250004673080	1	30	-1.0	-39.08	264.94	5.19	-33.89
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004673081	0	31	-1.0	-40.69	288.54	6.60	-34.09
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL250004673081	1	31	-1.0	-40.70	288.60	6.62	-34.08
CC1(C)CC(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004673082	0	36	-1.0	-38.89	294.79	5.48	-33.41
CC1(C)CC(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004673082	1	36	-1.0	-38.92	294.85	5.49	-33.43
CCCN1CC(C(=O)OCC2=N[N-]N=N2)CC1=O	REAL250004673083	0	32	-1.0	-40.01	278.29	3.22	-36.79
CCCN1CC(C(=O)OCC2=NN=N[N-]2)CC1=O	REAL250004673083	1	32	-1.0	-40.01	278.35	3.24	-36.77
O=C(OCC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=N1	REAL250004673084	0	34	-1.0	-43.89	300.59	4.67	-39.22
O=C(OCC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL250004673084	1	34	-1.0	-43.89	300.65	4.68	-39.21
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004673085	0	29	-1.0	-37.73	277.05	6.45	-31.28
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250004673085	1	29	-1.0	-37.71	277.11	6.47	-31.24
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004673086	0	33	-1.0	-41.34	288.70	5.28	-36.06
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004673086	1	33	-1.0	-41.35	288.76	5.30	-36.05
CCC1=CC=CC=C1N1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004673087	0	34	-1.0	-45.57	300.28	5.01	-40.56
CCC1=CC=CC=C1N1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004673087	1	34	-1.0	-45.55	300.23	5.00	-40.55
CC(=O)C1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673088	0	23	-1.0	-37.92	241.19	1.70	-36.22
CC(=O)C1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673088	1	23	-1.0	-37.94	241.24	1.71	-36.23
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673089	0	27	-1.0	-37.98	261.04	2.63	-35.35
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673089	1	27	-1.0	-37.99	260.99	2.61	-35.38
COC(=O)C1=C(CCC(=O)OCC2=NN=N[N-]2)OC=N1	REAL250004673090	0	30	-1.0	-43.48	282.40	0.68	-42.80
COC(=O)C1=C(CCC(=O)OCC2=N[N-]N=N2)OC=N1	REAL250004673090	1	30	-1.0	-43.50	282.34	0.67	-42.83
COCCN1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004673091	0	28	-1.0	-45.06	264.82	0.07	-44.99
COCCN1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004673091	1	28	-1.0	-45.03	264.76	0.05	-44.98
O=C(OCC1=N[N-]N=N1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004673092	0	36	-1.0	-41.56	291.14	4.79	-36.77
O=C(OCC1=NN=N[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL250004673092	1	36	-1.0	-41.56	291.20	4.80	-36.76
O=C(OCC1=N[N-]N=N1)C1(C(F)(F)F)CCCC1	REAL250004673093	0	28	-1.0	-37.38	250.33	4.27	-33.11
O=C(OCC1=NN=N[N-]1)C1(C(F)(F)F)CCCC1	REAL250004673093	1	28	-1.0	-37.40	250.38	4.28	-33.12
CC(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004673094	0	33	-1.0	-40.37	279.82	4.62	-35.75
CC(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004673094	1	33	-1.0	-40.37	279.87	4.63	-35.74
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004673095	0	33	-1.0	-38.92	277.49	3.86	-35.06
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL250004673095	1	33	-1.0	-38.94	277.55	3.87	-35.07
O=C(OCC1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004673096	0	36	-1.0	-40.93	310.67	6.32	-34.61
O=C(OCC1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL250004673096	1	36	-1.0	-40.93	310.72	6.34	-34.59
CCC1=CC=C(F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673097	0	28	-1.0	-39.84	251.37	5.04	-34.80
CCC1=CC=C(F)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673097	1	28	-1.0	-39.87	251.43	5.06	-34.81
COCC1=C(C(=O)OCC2=N[N-]N=N2)C=CS1	REAL250004673098	0	26	-1.0	-40.68	252.02	2.45	-38.23
COCC1=C(C(=O)OCC2=NN=N[N-]2)C=CS1	REAL250004673098	1	26	-1.0	-40.66	252.08	2.46	-38.20
CN1C=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004673099	0	29	-1.0	-42.38	263.97	5.51	-36.87
CN1C=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004673099	1	29	-1.0	-42.38	264.03	5.52	-36.86
O=C(OCC1=NN=N[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004673100	0	34	-1.0	-42.15	298.54	6.00	-36.15
O=C(OCC1=N[N-]N=N1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL250004673100	1	34	-1.0	-42.15	298.48	5.99	-36.16
O=C(OCC1=N[N-]N=N1)C1(C2CCCCO2)CCC1	REAL250004673101	0	36	-1.0	-36.88	284.99	4.52	-32.36
O=C(OCC1=NN=N[N-]1)C1(C2CCCCO2)CCC1	REAL250004673101	1	36	-1.0	-36.86	285.05	4.54	-32.32
COC(=O)C1=NN(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673102	0	28	-1.0	-35.57	266.23	2.15	-33.42
COC(=O)C1=NN(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673102	1	28	-1.0	-35.56	266.17	2.14	-33.42
COC(=O)[C@@H]1O[C@@H](C(=O)OCC2=N[N-]N=N2)C[C@H]1C	REAL250004673103	0	32	-1.0	-42.14	284.86	3.69	-38.45
COC(=O)[C@@H]1O[C@@H](C(=O)OCC2=NN=N[N-]2)C[C@H]1C	REAL250004673103	1	32	-1.0	-42.11	284.92	3.70	-38.41
O=C(C=CC1=CC=C(Cl)S1)OCC1=N[N-]N=N1	REAL250004673104	0	23	-1.0	-38.80	249.45	4.75	-34.05
O=C(C=CC1=CC=C(Cl)S1)OCC1=NN=N[N-]1	REAL250004673104	1	23	-1.0	-38.82	249.51	4.77	-34.05
O=C(OCC1=NN=N[N-]1)C1=CN=C2SC=CC2=C1	REAL250004673105	0	24	-1.0	-39.47	242.28	3.26	-36.21
O=C(OCC1=N[N-]N=N1)C1=CN=C2SC=CC2=C1	REAL250004673105	1	24	-1.0	-39.43	242.22	3.24	-36.19
O=C(OCC1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004673106	0	24	-1.0	-38.95	251.35	2.97	-35.98
O=C(OCC1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL250004673106	1	24	-1.0	-39.00	251.29	2.95	-36.05
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)N=C2CCCCN21	REAL250004673107	0	32	-1.0	-39.65	280.10	4.60	-35.05
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL250004673107	1	32	-1.0	-39.61	280.16	4.62	-34.99
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673108	0	33	-1.0	-38.80	296.90	5.85	-32.95
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673108	1	33	-1.0	-38.78	296.96	5.86	-32.92
CC1CCN2C=C(C(=O)OCC3=N[N-]N=N3)N=C2C1	REAL250004673109	0	32	-1.0	-48.61	276.54	4.57	-44.04
CC1CCN2C=C(C(=O)OCC3=NN=N[N-]3)N=C2C1	REAL250004673109	1	32	-1.0	-48.58	276.60	4.58	-44.00
O=C(CCC1=CC=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673110	0	34	-1.0	-38.89	296.31	7.49	-31.40
O=C(CCC1=CC=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673110	1	34	-1.0	-38.87	296.37	7.50	-31.37
CC(CCC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673111	0	34	-1.0	-39.18	299.04	6.71	-32.47
CC(CCC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673111	1	34	-1.0	-39.17	299.09	6.72	-32.45
CC(C)(CC(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004673112	0	34	-1.0	-36.76	284.23	6.00	-30.76
CC(C)(CC(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004673112	1	34	-1.0	-36.77	284.29	6.00	-30.77
O=C(OCC1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL250004673113	0	24	-1.0	-38.17	259.46	3.90	-34.27
O=C(OCC1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2S1	REAL250004673113	1	24	-1.0	-38.19	259.41	3.88	-34.31
COCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004673114	0	29	-1.0	-37.69	269.02	3.73	-33.96
COCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004673114	1	29	-1.0	-37.65	269.07	3.74	-33.91
CCN1N=CN=C1C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673115	0	34	-1.0	-41.15	300.21	6.28	-34.87
CCN1N=CN=C1C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673115	1	34	-1.0	-41.16	300.15	6.27	-34.89
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL250004673116	0	24	-1.0	-40.30	259.83	3.91	-36.39
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=NC(Cl)=C2S1	REAL250004673116	1	24	-1.0	-40.30	259.78	3.89	-36.41
O=C(OCC1=NN=N[N-]1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004673117	0	29	-1.0	-37.00	268.70	5.90	-31.10
O=C(OCC1=N[N-]N=N1)C1=CC=NC(N2C=CC=C2)=C1	REAL250004673117	1	29	-1.0	-37.00	268.64	5.89	-31.11
O=C(OCC1=N[N-]N=N1)C1CCC12CCOCC2	REAL250004673118	0	33	-1.0	-40.77	266.94	3.32	-37.45
O=C(OCC1=NN=N[N-]1)C1CCC12CCOCC2	REAL250004673118	1	33	-1.0	-40.77	267.00	3.33	-37.44
O=C(OCC1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL250004673119	0	32	-1.0	-42.68	296.97	4.17	-38.51
O=C(OCC1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL250004673119	1	32	-1.0	-42.65	296.91	4.16	-38.49
CCOC(C(=O)OCC1=N[N-]N=N1)C1CCOCC1	REAL250004673120	0	36	-1.0	-41.80	293.16	3.02	-38.78
CCOC(C(=O)OCC1=NN=N[N-]1)C1CCOCC1	REAL250004673120	1	36	-1.0	-41.77	293.22	3.04	-38.73
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CC=C2C=C1	REAL250004673121	0	27	-1.0	-42.42	251.43	4.17	-38.25
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CC=C2C=C1	REAL250004673121	1	27	-1.0	-42.41	251.37	4.15	-38.26
CCOC(C(=O)OCC1=N[N-]N=N1)C1CCCC1	REAL250004673122	0	35	-1.0	-38.65	285.17	4.81	-33.84
CCOC(C(=O)OCC1=NN=N[N-]1)C1CCCC1	REAL250004673122	1	35	-1.0	-38.63	285.23	4.82	-33.81
CC1(C)CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2O1	REAL250004673123	0	33	-1.0	-40.06	287.57	5.01	-35.05
CC1(C)CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2O1	REAL250004673123	1	33	-1.0	-40.05	287.63	5.02	-35.03
COC(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004673124	0	34	-1.0	-39.77	294.94	3.77	-36.00
COC(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004673124	1	34	-1.0	-39.74	295.00	3.79	-35.95
O=C(OCC1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)O1	REAL250004673125	0	23	-1.0	-42.43	253.64	3.74	-38.69
O=C(OCC1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL250004673125	1	23	-1.0	-42.46	253.70	3.76	-38.70
O=C(OCC1=N[N-]N=N1)[C@@H]1OC[C@@H]2COCC[C@H]12	REAL250004673126	0	31	-1.0	-40.17	253.89	1.70	-38.47
O=C(OCC1=NN=N[N-]1)[C@@H]1OC[C@@H]2COCC[C@H]12	REAL250004673126	1	31	-1.0	-40.14	253.95	1.72	-38.42
CO[C@@H]1COC[C@H]1N1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004673127	0	33	-1.0	-44.07	297.63	-0.75	-44.82
CO[C@@H]1COC[C@H]1N1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004673127	1	33	-1.0	-44.07	297.57	-0.77	-44.84
O=C(OCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CC1	REAL250004673128	0	35	-1.0	-37.48	299.57	7.32	-30.16
O=C(OCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250004673128	1	35	-1.0	-37.49	299.63	7.34	-30.15
O=C(CN1N=CC=C1C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673129	0	32	-1.0	-42.46	285.22	5.15	-37.31
O=C(CN1N=CC=C1C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673129	1	32	-1.0	-42.44	285.16	5.13	-37.31
O=C(OCC1=N[N-]N=N1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004673130	0	36	-1.0	-41.05	288.79	6.30	-34.75
O=C(OCC1=NN=N[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250004673130	1	36	-1.0	-41.05	288.85	6.32	-34.73
COC1=C(Cl)C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673131	0	26	-1.0	-39.15	255.47	4.39	-34.76
COC1=C(Cl)C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673131	1	26	-1.0	-39.15	255.53	4.41	-34.74
O=C(CCN1CC2=CC=CC=C2C1=O)OCC1=N[N-]N=N1	REAL250004673132	0	33	-1.0	-46.26	297.25	4.74	-41.52
O=C(CCN1CC2=CC=CC=C2C1=O)OCC1=NN=N[N-]1	REAL250004673132	1	33	-1.0	-46.23	297.30	4.76	-41.47
CC(=O)NC1=CN=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673133	0	31	-1.0	-49.50	277.78	1.40	-48.10
CC(=O)NC1=CN=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673133	1	31	-1.0	-49.49	277.84	1.41	-48.08
O=C(CCC1=CC=C(Cl)N=C1)OCC1=NN=N[N-]1	REAL250004673134	0	27	-1.0	-38.98	265.58	4.02	-34.96
O=C(CCC1=CC=C(Cl)N=C1)OCC1=N[N-]N=N1	REAL250004673134	1	27	-1.0	-38.98	265.52	4.01	-34.97
CC(C)(C)C1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673135	0	33	-1.0	-38.10	281.81	4.31	-33.79
CC(C)(C)C1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673135	1	33	-1.0	-38.09	281.76	4.29	-33.80
CC1=CC(Br)=CN=C1C(=O)OCC1=NN=N[N-]1	REAL250004673136	0	24	-1.0	-40.41	243.45	3.14	-37.27
CC1=CC(Br)=CN=C1C(=O)OCC1=N[N-]N=N1	REAL250004673136	1	24	-1.0	-40.40	243.40	3.12	-37.28
O=C(OCC1=N[N-]N=N1)C1CCCC12CCOCC2	REAL250004673137	0	36	-1.0	-40.93	278.72	3.76	-37.17
O=C(OCC1=NN=N[N-]1)C1CCCC12CCOCC2	REAL250004673137	1	36	-1.0	-40.89	278.77	3.77	-37.12
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CC=C2N=C1	REAL250004673138	0	26	-1.0	-41.21	246.66	2.29	-38.92
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CC=C2N=C1	REAL250004673138	1	26	-1.0	-41.18	246.60	2.28	-38.90
O=C(OCC1=NN=N[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004673139	0	30	-1.0	-52.72	281.79	2.16	-50.56
O=C(OCC1=N[N-]N=N1)C1=CN(CC2CC(=O)C2)N=N1	REAL250004673139	1	30	-1.0	-52.72	281.73	2.14	-50.58
O=C(OCC1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004673140	0	27	-1.0	-46.81	267.31	3.38	-43.43
O=C(OCC1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL250004673140	1	27	-1.0	-46.77	267.37	3.39	-43.38
O=C(OCC1=NN=N[N-]1)C1=CSC2=NC=CN12	REAL250004673141	0	22	-1.0	-39.89	225.53	3.37	-36.52
O=C(OCC1=N[N-]N=N1)C1=CSC2=NC=CN12	REAL250004673141	1	22	-1.0	-39.90	225.48	3.36	-36.54
CC1(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)CC1(F)F	REAL250004673142	0	32	-1.0	-40.10	288.10	6.39	-33.71
CC1(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)CC1(F)F	REAL250004673142	1	32	-1.0	-40.08	288.15	6.41	-33.67
O=C(CC1=CC2=CC=CN=C2C=C1)OCC1=NN=N[N-]1	REAL250004673143	0	30	-1.0	-41.88	273.60	4.93	-36.95
O=C(CC1=CC2=CC=CN=C2C=C1)OCC1=N[N-]N=N1	REAL250004673143	1	30	-1.0	-41.93	273.54	4.92	-37.01
CCC1=CC=C2C(CC(=O)OCC3=N[N-]N=N3)=COC2=C1	REAL250004673144	0	34	-1.0	-41.15	303.19	6.37	-34.78
CCC1=CC=C2C(CC(=O)OCC3=NN=N[N-]3)=COC2=C1	REAL250004673144	1	34	-1.0	-41.16	303.25	6.39	-34.77
CC(=O)C1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673145	0	31	-1.0	-46.22	281.82	4.43	-41.79
CC(=O)C1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673145	1	31	-1.0	-46.24	281.88	4.45	-41.79
CC(C)C1=CC=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004673146	0	35	-1.0	-39.37	299.94	6.01	-33.36
CC(C)C1=CC=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004673146	1	35	-1.0	-39.36	300.00	6.02	-33.34
O=C(C=CC1=NC2=CC=CC=C2S1)OCC1=N[N-]N=N1	REAL250004673147	0	28	-1.0	-41.37	277.38	4.75	-36.62
O=C(C=CC1=NC2=CC=CC=C2S1)OCC1=NN=N[N-]1	REAL250004673147	1	28	-1.0	-41.37	277.44	4.77	-36.60
O=C(CCNC(=O)C1=CC=CO1)OCC1=N[N-]N=N1	REAL250004673148	0	29	-1.0	-43.72	273.12	1.03	-42.69
O=C(CCNC(=O)C1=CC=CO1)OCC1=NN=N[N-]1	REAL250004673148	1	29	-1.0	-43.72	273.18	1.04	-42.68
O=C(OCC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004673149	0	33	-1.0	-40.58	297.43	3.61	-36.97
O=C(OCC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL250004673149	1	33	-1.0	-40.59	297.49	3.62	-36.97
O=C(CCC1=CC=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004673150	0	28	-1.0	-38.39	266.48	5.74	-32.65
O=C(CCC1=CC=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004673150	1	28	-1.0	-38.39	266.55	5.75	-32.64
CC(SC1=CC=C(Cl)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673151	0	29	-1.0	-36.77	291.43	6.32	-30.45
CC(SC1=CC=C(Cl)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673151	1	29	-1.0	-36.77	291.48	6.34	-30.43
O=C(CSC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004673152	0	26	-1.0	-37.04	257.33	5.08	-31.96
O=C(CSC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004673152	1	26	-1.0	-37.00	257.39	5.09	-31.91
O=C(OCC1=N[N-]N=N1)C1=CSC2=C1CCCC2	REAL250004673153	0	29	-1.0	-39.35	261.07	5.26	-34.09
O=C(OCC1=NN=N[N-]1)C1=CSC2=C1CCCC2	REAL250004673153	1	29	-1.0	-39.35	261.13	5.27	-34.08
O=C(CCCC1=CC=CS1)OCC1=N[N-]N=N1	REAL250004673154	0	28	-1.0	-38.46	265.54	5.24	-33.22
O=C(CCCC1=CC=CS1)OCC1=NN=N[N-]1	REAL250004673154	1	28	-1.0	-38.44	265.59	5.26	-33.18
O=C(CCSC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004673155	0	29	-1.0	-36.85	279.01	5.89	-30.96
O=C(CCSC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004673155	1	29	-1.0	-36.86	279.06	5.91	-30.95
CCC1=C(C)C=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673156	0	28	-1.0	-39.19	262.98	4.96	-34.23
CCC1=C(C)C=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673156	1	28	-1.0	-39.19	263.04	4.98	-34.21
CC1=CC=C(SCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673157	0	29	-1.0	-37.77	272.34	5.69	-32.08
CC1=CC=C(SCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673157	1	29	-1.0	-37.75	272.40	5.70	-32.05
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)OCC1=N[N-]N=N1	REAL250004673158	0	29	-1.0	-38.31	280.86	6.03	-32.28
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)OCC1=NN=N[N-]1	REAL250004673158	1	29	-1.0	-38.33	280.92	6.04	-32.29
O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC1=N[N-]N=N1	REAL250004673159	0	34	-1.0	-43.58	298.53	1.66	-41.92
O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC1=NN=N[N-]1	REAL250004673159	1	34	-1.0	-43.52	298.59	1.67	-41.85
CC12CCC(=O)N1C(C(=O)OCC1=N[N-]N=N1)CS2	REAL250004673160	0	31	-1.0	-45.70	273.68	3.70	-42.00
CC12CCC(=O)N1C(C(=O)OCC1=NN=N[N-]1)CS2	REAL250004673160	1	31	-1.0	-45.71	273.73	3.72	-41.99
O=C(CCCCC1CCSS1)OCC1=N[N-]N=N1	REAL250004673161	0	33	-1.0	-41.19	301.02	7.11	-34.08
O=C(CCCCC1CCSS1)OCC1=NN=N[N-]1	REAL250004673161	1	33	-1.0	-41.19	301.08	7.12	-34.07
CC1=CC=C(SCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004673162	0	32	-1.0	-37.92	290.84	6.25	-31.67
CC1=CC=C(SCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004673162	1	32	-1.0	-37.97	290.90	6.26	-31.71
CCC1(CC)NC(=O)N(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004673163	0	36	-1.0	-45.20	309.48	2.40	-42.80
CCC1(CC)NC(=O)N(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004673163	1	36	-1.0	-45.19	309.54	2.42	-42.77
O=C(CC1=CC=CC=C1)NCCC(=O)OCC1=N[N-]N=N1	REAL250004673164	0	35	-1.0	-45.54	313.51	3.68	-41.86
O=C(CC1=CC=CC=C1)NCCC(=O)OCC1=NN=N[N-]1	REAL250004673164	1	35	-1.0	-45.52	313.56	3.70	-41.82
CC12CC3CC(C)(C1)CC(C(=O)OCC1=N[N-]N=N1)(C3)C2	REAL250004673165	0	42	-1.0	-38.30	315.22	6.77	-31.53
CC12CC3CC(C)(C1)CC(C(=O)OCC1=NN=N[N-]1)(C3)C2	REAL250004673165	1	42	-1.0	-38.29	315.28	6.78	-31.51
CC1=C(C)C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2N1	REAL250004673166	0	32	-1.0	-40.97	280.84	5.10	-35.87
CC1=C(C)C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2N1	REAL250004673166	1	32	-1.0	-41.00	280.78	5.09	-35.91
O=C(OCC1=N[N-]N=N1)C1CCCC(C(F)(F)F)C1	REAL250004673167	0	31	-1.0	-37.44	272.09	5.04	-32.40
O=C(OCC1=NN=N[N-]1)C1CCCC(C(F)(F)F)C1	REAL250004673167	1	31	-1.0	-37.42	272.15	5.05	-32.37
COC1=CC=C2OC(C)=C(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004673168	0	32	-1.0	-44.79	291.06	4.29	-40.50
COC1=CC=C2OC(C)=C(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004673168	1	32	-1.0	-44.83	291.12	4.31	-40.52
CC1=NN(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)C=C1	REAL250004673169	0	32	-1.0	-42.93	290.49	5.57	-37.36
CC1=NN(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)C=C1	REAL250004673169	1	32	-1.0	-42.91	290.55	5.58	-37.33
COC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673170	0	30	-1.0	-41.08	277.36	2.00	-39.08
COC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673170	1	30	-1.0	-41.09	277.42	2.02	-39.07
O=C(CCOCC(F)(F)F)OCC1=N[N-]N=N1	REAL250004673171	0	25	-1.0	-37.69	247.50	2.08	-35.61
O=C(CCOCC(F)(F)F)OCC1=NN=N[N-]1	REAL250004673171	1	25	-1.0	-37.68	247.56	2.09	-35.59
O=C(COCCOC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673172	0	33	-1.0	-43.51	296.81	4.29	-39.22
O=C(COCCOC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673172	1	33	-1.0	-43.51	296.87	4.30	-39.21
O=C(CCOCC1CCCO1)OCC1=N[N-]N=N1	REAL250004673173	0	33	-1.0	-39.35	285.01	2.08	-37.27
O=C(CCOCC1CCCO1)OCC1=NN=N[N-]1	REAL250004673173	1	33	-1.0	-39.34	285.06	2.08	-37.26
CCN1CCN(CC(=O)OCC2=N[N-]N=N2)C(=O)C1=O	REAL250004673174	0	33	-1.0	-53.65	292.75	2.91	-50.74
CCN1CCN(CC(=O)OCC2=NN=N[N-]2)C(=O)C1=O	REAL250004673174	1	33	-1.0	-53.67	292.81	2.93	-50.74
COC1=CC=CC(COCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673175	0	33	-1.0	-42.28	296.40	3.83	-38.45
COC1=CC=CC(COCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673175	1	33	-1.0	-42.28	296.45	3.84	-38.44
COC1=CC=CC(COC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673176	0	36	-1.0	-42.41	316.65	4.57	-37.84
COC1=CC=CC(COC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673176	1	36	-1.0	-42.38	316.71	4.58	-37.80
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004673177	0	35	-1.0	-41.67	307.13	6.04	-35.63
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004673177	1	35	-1.0	-41.69	307.18	6.06	-35.63
COC1=CC=C(COCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673178	0	33	-1.0	-41.50	296.39	3.84	-37.66
COC1=CC=C(COCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673178	1	33	-1.0	-41.51	296.45	3.85	-37.66
O=C(OCC1=N[N-]N=N1)C1CCC(C(F)(F)F)NC1=O	REAL250004673179	0	29	-1.0	-46.68	267.60	1.99	-44.69
O=C(OCC1=NN=N[N-]1)C1CCC(C(F)(F)F)NC1=O	REAL250004673179	1	29	-1.0	-46.71	267.66	2.01	-44.70
CN(C)C(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673180	0	32	-1.0	-45.84	282.44	3.62	-42.22
CN(C)C(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673180	1	32	-1.0	-45.85	282.50	3.64	-42.21
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCOC2)S1	REAL250004673181	0	27	-1.0	-39.36	256.01	3.05	-36.31
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCOC2)S1	REAL250004673181	1	27	-1.0	-39.35	256.07	3.07	-36.28
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004673182	0	31	-1.0	-37.54	271.72	5.52	-32.02
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004673182	1	31	-1.0	-37.53	271.78	5.53	-32.00
COC(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673183	0	30	-1.0	-46.30	277.47	2.00	-44.30
COC(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673183	1	30	-1.0	-46.29	277.53	2.01	-44.28
COC1=CC=CC=C1C(C)CC(=O)OCC1=N[N-]N=N1	REAL250004673184	0	35	-1.0	-39.60	295.16	5.09	-34.51
COC1=CC=CC=C1C(C)CC(=O)OCC1=NN=N[N-]1	REAL250004673184	1	35	-1.0	-39.57	295.22	5.11	-34.46
CC1=CC=C(C(C)(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673185	0	34	-1.0	-38.64	286.73	6.13	-32.51
CC1=CC=C(C(C)(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673185	1	34	-1.0	-38.62	286.78	6.14	-32.48
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673186	0	25	-1.0	-39.07	245.70	4.88	-34.19
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673186	1	25	-1.0	-39.05	245.76	4.89	-34.16
CNC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673187	0	28	-1.0	-37.67	264.17	0.34	-37.33
CNC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673187	1	28	-1.0	-37.63	264.11	0.32	-37.31
O=C(CC1OCCC2=C1SC=C2)OCC1=N[N-]N=N1	REAL250004673188	0	30	-1.0	-39.44	274.14	4.31	-35.13
O=C(CC1OCCC2=C1SC=C2)OCC1=NN=N[N-]1	REAL250004673188	1	30	-1.0	-39.49	274.20	4.32	-35.17
CC1=C2C(CC(=O)OCC3=N[N-]N=N3)=CNC2=CC=C1	REAL250004673189	0	32	-1.0	-42.32	279.49	5.08	-37.24
CC1=C2C(CC(=O)OCC3=NN=N[N-]3)=CNC2=CC=C1	REAL250004673189	1	32	-1.0	-42.32	279.55	5.09	-37.23
CCC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673190	0	34	-1.0	-38.33	287.86	6.32	-32.01
CCC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673190	1	34	-1.0	-38.32	287.91	6.33	-31.99
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250004673191	0	33	-1.0	-41.71	298.86	7.34	-34.37
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250004673191	1	33	-1.0	-41.72	298.92	7.36	-34.36
CCN(C)C(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673192	0	35	-1.0	-46.03	304.25	4.63	-41.40
CCN(C)C(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673192	1	35	-1.0	-46.03	304.30	4.65	-41.38
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1OCC(=O)N2	REAL250004673193	0	28	-1.0	-43.09	258.95	1.76	-41.33
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL250004673193	1	28	-1.0	-43.05	259.00	1.78	-41.27
CC(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004673194	0	32	-1.0	-37.95	269.16	2.89	-35.06
CC(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004673194	1	32	-1.0	-37.97	269.22	2.90	-35.07
CN1N=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673195	0	27	-1.0	-40.02	254.27	2.24	-37.78
CN1N=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673195	1	27	-1.0	-40.02	254.21	2.22	-37.80
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL250004673196	0	29	-1.0	-38.20	271.97	4.98	-33.22
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL250004673196	1	29	-1.0	-38.23	271.91	4.97	-33.26
CC1OC2=C(C=CC=C2C(=O)OCC2=N[N-]N=N2)NC1=O	REAL250004673197	0	31	-1.0	-42.71	279.25	2.43	-40.28
CC1OC2=C(C=CC=C2C(=O)OCC2=NN=N[N-]2)NC1=O	REAL250004673197	1	31	-1.0	-42.68	279.31	2.45	-40.23
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1	REAL250004673198	0	25	-1.0	-39.27	242.45	4.64	-34.63
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1	REAL250004673198	1	25	-1.0	-39.26	242.51	4.65	-34.61
CC1=C(CC(=O)OCC2=N[N-]N=N2)C(=O)N2N=CC=C2N1	REAL250004673199	0	31	-1.0	-58.86	280.61	2.79	-56.07
CC1=C(CC(=O)OCC2=NN=N[N-]2)C(=O)N2N=CC=C2N1	REAL250004673199	1	31	-1.0	-58.86	280.67	2.80	-56.06
O=C(OCC1=N[N-]N=N1)C1=CC=C(Br)O1	REAL250004673200	0	19	-1.0	-38.89	213.99	2.61	-36.28
O=C(OCC1=NN=N[N-]1)C1=CC=C(Br)O1	REAL250004673200	1	19	-1.0	-38.94	214.04	2.62	-36.32
O=C(OCC1=N[N-]N=N1)C1=C(C2CC2)C=CS1	REAL250004673201	0	26	-1.0	-40.31	247.03	4.81	-35.50
O=C(OCC1=NN=N[N-]1)C1=C(C2CC2)C=CS1	REAL250004673201	1	26	-1.0	-40.33	247.08	4.83	-35.50
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004673202	0	25	-1.0	-40.73	242.45	2.30	-38.43
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004673202	1	25	-1.0	-40.75	242.51	2.31	-38.44
CC(C)OC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673203	0	31	-1.0	-43.35	280.26	2.35	-41.00
CC(C)OC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673203	1	31	-1.0	-43.33	280.21	2.33	-41.00
CCC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004673204	0	31	-1.0	-42.01	282.68	5.76	-36.25
CCC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004673204	1	31	-1.0	-41.99	282.73	5.78	-36.21
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=CN=N2)=C1	REAL250004673205	0	28	-1.0	-47.35	262.72	3.70	-43.65
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=CN=N2)=C1	REAL250004673205	1	28	-1.0	-47.38	262.67	3.68	-43.70
CC(=CC1=CC=CC=C1Cl)C(=O)OCC1=N[N-]N=N1	REAL250004673206	0	29	-1.0	-39.41	272.26	5.97	-33.44
CC(=CC1=CC=CC=C1Cl)C(=O)OCC1=NN=N[N-]1	REAL250004673206	1	29	-1.0	-39.42	272.32	5.98	-33.44
CC(CC1=CC=CC(Cl)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673207	0	31	-1.0	-36.93	287.05	6.34	-30.59
CC(CC1=CC=CC(Cl)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673207	1	31	-1.0	-36.90	287.11	6.35	-30.55
O=C(OCC1=N[N-]N=N1)C1CCC2CCCCC2C1	REAL250004673208	0	38	-1.0	-36.42	296.51	6.45	-29.97
O=C(OCC1=NN=N[N-]1)C1CCC2CCCCC2C1	REAL250004673208	1	38	-1.0	-36.45	296.57	6.46	-29.99
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CC(C)C	REAL250004673209	0	37	-1.0	-41.29	306.42	4.61	-36.68
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CC(C)C	REAL250004673209	1	37	-1.0	-41.31	306.48	4.62	-36.69
CC(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004673210	0	34	-1.0	-37.09	290.53	6.36	-30.73
CC(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004673210	1	34	-1.0	-37.09	290.59	6.38	-30.71
CNS(=O)(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CO1	REAL250004673211	0	27	-1.0	-41.99	271.95	-1.97	-43.96
CNS(=O)(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CO1	REAL250004673211	1	27	-1.0	-42.00	272.00	-1.95	-43.95
CCN(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673212	0	33	-1.0	-38.94	285.03	5.74	-33.20
CCN(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673212	1	33	-1.0	-38.92	285.09	5.76	-33.16
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1Br	REAL250004673213	0	25	-1.0	-36.20	249.72	4.96	-31.24
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1Br	REAL250004673213	1	25	-1.0	-36.20	249.78	4.98	-31.22
CN1C(=O)OC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004673214	0	28	-1.0	-48.62	263.96	3.98	-44.64
CN1C(=O)OC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004673214	1	28	-1.0	-48.60	264.02	3.99	-44.61
O=C(OCC1=NN=N[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL250004673215	0	34	-1.0	-38.85	289.46	0.79	-38.06
O=C(OCC1=N[N-]N=N1)C1=CN=CC(N2CCOCC2)=C1	REAL250004673215	1	34	-1.0	-38.84	289.41	0.77	-38.07
N#CC1=CC=C(C2CC2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673216	0	30	-1.0	-41.02	273.20	6.03	-34.99
N#CC1=CC=C(C2CC2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673216	1	30	-1.0	-41.02	273.26	6.05	-34.97
O=C(NC1CC1)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673217	0	33	-1.0	-39.75	298.29	3.78	-35.97
O=C(NC1CC1)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673217	1	33	-1.0	-39.76	298.35	3.80	-35.96
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL250004673218	0	27	-1.0	-39.72	246.87	4.03	-35.69
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL250004673218	1	27	-1.0	-39.71	246.82	4.01	-35.70
O=C(CC1=CC=CC2=CC=CN=C21)OCC1=NN=N[N-]1	REAL250004673219	0	30	-1.0	-44.67	272.49	5.10	-39.57
O=C(CC1=CC=CC2=CC=CN=C21)OCC1=N[N-]N=N1	REAL250004673219	1	30	-1.0	-44.71	272.44	5.08	-39.63
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL250004673220	0	27	-1.0	-41.32	251.46	4.15	-37.17
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL250004673220	1	27	-1.0	-41.33	251.40	4.13	-37.20
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004673221	0	31	-1.0	-42.71	281.62	5.15	-37.56
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004673221	1	31	-1.0	-42.73	281.56	5.13	-37.60
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL250004673222	0	34	-1.0	-42.68	301.89	5.95	-36.73
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL250004673222	1	34	-1.0	-42.69	301.84	5.93	-36.76
O=C(OCC1=NN=N[N-]1)C1=C(Br)N=CS1	REAL250004673223	0	18	-1.0	-37.99	214.36	1.42	-36.57
O=C(OCC1=N[N-]N=N1)C1=C(Br)N=CS1	REAL250004673223	1	18	-1.0	-38.02	214.30	1.40	-36.62
CC(C(=O)OCC1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL250004673224	0	35	-1.0	-41.41	295.30	2.86	-38.55
CC(C(=O)OCC1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL250004673224	1	35	-1.0	-41.39	295.24	2.84	-38.55
O=C(OCC1=NN=N[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL250004673225	0	33	-1.0	-38.08	294.32	1.07	-37.01
O=C(OCC1=N[N-]N=N1)C1=CC=NC(OC2CCOC2)=C1	REAL250004673225	1	33	-1.0	-38.05	294.26	1.06	-36.99
CC1(C)CC(CC(=O)OCC2=N[N-]N=N2)CCO1	REAL250004673226	0	35	-1.0	-37.31	278.08	3.49	-33.82
CC1(C)CC(CC(=O)OCC2=NN=N[N-]2)CCO1	REAL250004673226	1	35	-1.0	-37.29	278.13	3.51	-33.78
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004673227	0	30	-1.0	-36.96	282.75	5.74	-31.22
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250004673227	1	30	-1.0	-36.95	282.80	5.76	-31.19
CN1N=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004673228	0	27	-1.0	-39.55	253.36	2.36	-37.19
CN1N=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004673228	1	27	-1.0	-39.56	253.31	2.35	-37.21
COC(=O)C1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673229	0	27	-1.0	-38.57	260.25	2.66	-35.91
COC(=O)C1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673229	1	27	-1.0	-38.55	260.19	2.65	-35.90
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL250004673230	0	33	-1.0	-39.06	284.08	3.71	-35.35
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=C1	REAL250004673230	1	33	-1.0	-39.05	284.02	3.69	-35.36
O=C(CCC(=O)C1=CC=CN=C1)OCC1=N[N-]N=N1	REAL250004673231	0	29	-1.0	-40.73	269.04	3.43	-37.30
O=C(CCC(=O)C1=CC=CN=C1)OCC1=NN=N[N-]1	REAL250004673231	1	29	-1.0	-40.67	269.10	3.44	-37.23
O=C(CC1=CC(Cl)=CC2=C1OCC2)OCC1=N[N-]N=N1	REAL250004673232	0	30	-1.0	-40.73	284.97	4.92	-35.81
O=C(CC1=CC(Cl)=CC2=C1OCC2)OCC1=NN=N[N-]1	REAL250004673232	1	30	-1.0	-40.71	285.03	4.93	-35.78
O=C(OCC1=N[N-]N=N1)C1=C(C2CCCC2)N=CS1	REAL250004673233	0	31	-1.0	-38.46	277.80	4.12	-34.34
O=C(OCC1=NN=N[N-]1)C1=C(C2CCCC2)N=CS1	REAL250004673233	1	31	-1.0	-38.50	277.86	4.14	-34.36
CC1(CN2C=C(C(=O)OCC3=NN=N[N-]3)N=N2)COC1	REAL250004673234	0	32	-1.0	-48.40	288.88	1.08	-47.32
CC1(CN2C=C(C(=O)OCC3=N[N-]N=N3)N=N2)COC1	REAL250004673234	1	32	-1.0	-48.42	288.83	1.06	-47.36
COC1=CC2=C(C=C1C(=O)OCC1=N[N-]N=N1)OCO2	REAL250004673235	0	29	-1.0	-42.68	263.61	2.50	-40.18
COC1=CC2=C(C=C1C(=O)OCC1=NN=N[N-]1)OCO2	REAL250004673235	1	29	-1.0	-42.68	263.67	2.51	-40.17
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CN=C2N=C1	REAL250004673236	0	25	-1.0	-43.73	241.51	1.29	-42.44
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CN=C2N=C1	REAL250004673236	1	25	-1.0	-43.73	241.45	1.27	-42.46
CC1=NC(C(=O)OCC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004673237	0	31	-1.0	-45.23	285.83	2.73	-42.50
CC1=NC(C(=O)OCC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004673237	1	31	-1.0	-45.19	285.89	2.75	-42.44
CC(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673238	0	28	-1.0	-39.03	264.25	4.98	-34.05
CC(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673238	1	28	-1.0	-39.05	264.31	5.00	-34.05
CC1=NN(CC(F)F)C(C)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673239	0	31	-1.0	-40.99	287.90	3.73	-37.26
CC1=NN(CC(F)F)C(C)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673239	1	31	-1.0	-41.03	287.96	3.74	-37.29
O=C(OCC1=N[N-]N=N1)C1COCCN1CC(F)(F)F	REAL250004673240	0	31	-1.0	-39.52	264.68	0.02	-39.50
O=C(OCC1=NN=N[N-]1)C1COCCN1CC(F)(F)F	REAL250004673240	1	31	-1.0	-39.56	264.74	0.03	-39.53
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(C(C)C)O1	REAL250004673241	0	31	-1.0	-39.06	275.11	4.77	-34.29
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(C(C)C)O1	REAL250004673241	1	31	-1.0	-39.07	275.17	4.78	-34.29
O=C(CC1=COC2=CC=CC=C12)OCC1=N[N-]N=N1	REAL250004673242	0	28	-1.0	-41.56	260.33	4.93	-36.63
O=C(CC1=COC2=CC=CC=C12)OCC1=NN=N[N-]1	REAL250004673242	1	28	-1.0	-41.55	260.39	4.95	-36.60
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004673243	0	25	-1.0	-41.04	252.10	1.72	-39.32
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=N1	REAL250004673243	1	25	-1.0	-41.10	252.04	1.71	-39.39
CC1=NN=C(COCC(=O)OCC2=N[N-]N=N2)S1	REAL250004673244	0	27	-1.0	-45.51	268.08	1.32	-44.19
CC1=NN=C(COCC(=O)OCC2=NN=N[N-]2)S1	REAL250004673244	1	27	-1.0	-45.50	268.14	1.34	-44.16
COC1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=C1F	REAL250004673245	0	32	-1.0	-42.25	288.58	4.71	-37.54
COC1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=C1F	REAL250004673245	1	32	-1.0	-42.27	288.63	4.72	-37.55
CC(C)CC1=CC=CC(C(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673246	0	40	-1.0	-37.60	330.65	7.73	-29.87
CC(C)CC1=CC=CC(C(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673246	1	40	-1.0	-37.62	330.70	7.74	-29.88
O=C(OCC1=N[N-]N=N1)C1CCCC2CCCCC21	REAL250004673247	0	38	-1.0	-36.96	291.84	6.28	-30.68
O=C(OCC1=NN=N[N-]1)C1CCCC2CCCCC21	REAL250004673247	1	38	-1.0	-36.92	291.90	6.29	-30.63
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004673248	0	31	-1.0	-40.30	284.33	6.47	-33.83
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL250004673248	1	31	-1.0	-40.30	284.39	6.49	-33.81
O=C(OCC1=N[N-]N=N1)C1=CSC=C1Br	REAL250004673249	0	19	-1.0	-38.93	219.10	3.24	-35.69
O=C(OCC1=NN=N[N-]1)C1=CSC=C1Br	REAL250004673249	1	19	-1.0	-38.93	219.16	3.26	-35.67
O=C(OCC1=N[N-]N=N1)C(C1CCC1)C1CCC1	REAL250004673250	0	35	-1.0	-38.33	282.33	6.02	-32.31
O=C(OCC1=NN=N[N-]1)C(C1CCC1)C1CCC1	REAL250004673250	1	35	-1.0	-38.30	282.39	6.03	-32.27
COC1=CC=CC(C2(C(=O)OCC3=N[N-]N=N3)CC2)=C1	REAL250004673251	0	33	-1.0	-47.37	283.33	5.04	-42.33
COC1=CC=CC(C2(C(=O)OCC3=NN=N[N-]3)CC2)=C1	REAL250004673251	1	33	-1.0	-47.33	283.38	5.06	-42.27
CC(CN1C=CC2=CC=CC=C21)C(=O)OCC1=N[N-]N=N1	REAL250004673252	0	35	-1.0	-38.37	304.02	7.08	-31.29
CC(CN1C=CC2=CC=CC=C21)C(=O)OCC1=NN=N[N-]1	REAL250004673252	1	35	-1.0	-38.37	304.07	7.10	-31.27
O=C(C=CC1=CC=C(F)C(F)=C1)OCC1=N[N-]N=N1	REAL250004673253	0	26	-1.0	-40.42	254.88	5.15	-35.27
O=C(C=CC1=CC=C(F)C(F)=C1)OCC1=NN=N[N-]1	REAL250004673253	1	26	-1.0	-40.43	254.93	5.16	-35.27
CCC1=CC=C2OC=C(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004673254	0	31	-1.0	-40.38	281.20	5.57	-34.81
CCC1=CC=C2OC=C(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004673254	1	31	-1.0	-40.38	281.26	5.58	-34.80
CN(CCC(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004673255	0	38	-1.0	-41.20	318.83	3.91	-37.29
CN(CCC(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004673255	1	38	-1.0	-41.26	318.88	3.93	-37.33
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CN=C2)=NO1	REAL250004673256	0	30	-1.0	-41.77	282.81	3.85	-37.92
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CN=C2)=NO1	REAL250004673256	1	30	-1.0	-41.77	282.75	3.84	-37.93
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL250004673257	0	22	-1.0	-36.22	241.82	4.00	-32.22
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250004673257	1	22	-1.0	-36.22	241.87	4.01	-32.21
CC1=CC=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C12	REAL250004673258	0	30	-1.0	-41.00	269.33	4.68	-36.32
CC1=CC=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C12	REAL250004673258	1	30	-1.0	-41.00	269.39	4.69	-36.31
CN1C(=O)C2=CC=CC=C2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673259	0	31	-1.0	-38.28	275.26	4.56	-33.72
CN1C(=O)C2=CC=CC=C2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673259	1	31	-1.0	-38.29	275.32	4.57	-33.72
CC(CNC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004673260	0	38	-1.0	-40.54	317.54	2.10	-38.44
CC(CNC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004673260	1	38	-1.0	-40.53	317.60	2.12	-38.41
CC(C)(C)OC(=O)N1CC(C)(C(=O)OCC2=N[N-]N=N2)C1	REAL250004673261	0	39	-1.0	-37.98	326.13	3.71	-34.27
CC(C)(C)OC(=O)N1CC(C)(C(=O)OCC2=NN=N[N-]2)C1	REAL250004673261	1	39	-1.0	-37.98	326.19	3.73	-34.25
CC1CCC(C)(C=CC(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004673262	0	41	-1.0	-37.79	312.46	6.43	-31.36
CC1CCC(C)(C=CC(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004673262	1	41	-1.0	-37.77	312.52	6.44	-31.33
COC(=O)C1=CC=NC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673263	0	27	-1.0	-44.48	261.24	2.65	-41.83
COC(=O)C1=CC=NC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673263	1	27	-1.0	-44.47	261.19	2.64	-41.83
CC(=O)NC(=CC1=CC=CS1)C(=O)OCC1=N[N-]N=N1	REAL250004673264	0	30	-1.0	-48.45	285.28	4.33	-44.12
CC(=O)NC(=CC1=CC=CS1)C(=O)OCC1=NN=N[N-]1	REAL250004673264	1	30	-1.0	-48.46	285.34	4.34	-44.12
CS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673265	0	25	-1.0	-45.29	264.02	0.41	-44.88
CS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673265	1	25	-1.0	-45.28	264.08	0.42	-44.86
CN1N=C(CC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004673266	0	31	-1.0	-43.40	282.37	4.44	-38.96
CN1N=C(CC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004673266	1	31	-1.0	-43.39	282.42	4.45	-38.94
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673267	0	30	-1.0	-43.50	273.29	5.61	-37.89
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673267	1	30	-1.0	-43.53	273.35	5.62	-37.91
CC(C)(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)N=C1	REAL250004673268	0	33	-1.0	-42.87	282.58	4.27	-38.60
CC(C)(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)N=C1	REAL250004673268	1	33	-1.0	-42.89	282.52	4.26	-38.63
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL250004673269	0	32	-1.0	-39.85	284.19	5.92	-33.93
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL250004673269	1	32	-1.0	-39.87	284.13	5.91	-33.96
O=C(OCC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004673270	0	32	-1.0	-41.20	284.59	6.23	-34.97
O=C(OCC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL250004673270	1	32	-1.0	-41.19	284.64	6.24	-34.95
O=C(OCC1=N[N-]N=N1)C1(OC2=CC=CC=C2)CC1	REAL250004673271	0	30	-1.0	-40.53	268.78	5.02	-35.51
O=C(OCC1=NN=N[N-]1)C1(OC2=CC=CC=C2)CC1	REAL250004673271	1	30	-1.0	-40.54	268.84	5.03	-35.51
CC1=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=NN1C	REAL250004673272	0	25	-1.0	-45.53	248.08	2.53	-43.00
CC1=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=NN1C	REAL250004673272	1	25	-1.0	-45.53	248.14	2.54	-42.99
CC1=C2OC=C(C(=O)OCC3=N[N-]N=N3)C2=CC=C1	REAL250004673273	0	28	-1.0	-40.30	259.73	4.80	-35.50
CC1=C2OC=C(C(=O)OCC3=NN=N[N-]3)C2=CC=C1	REAL250004673273	1	28	-1.0	-40.27	259.79	4.82	-35.45
CCC(CC1=CC=CC=C1C)C(=O)OCC1=N[N-]N=N1	REAL250004673274	0	37	-1.0	-37.11	302.24	7.03	-30.08
CCC(CC1=CC=CC=C1C)C(=O)OCC1=NN=N[N-]1	REAL250004673274	1	37	-1.0	-37.13	302.29	7.04	-30.09
O=C(CC1=CC=C(N2C=NN=C2)C=C1)OCC1=NN=N[N-]1	REAL250004673275	0	31	-1.0	-44.00	283.39	7.55	-36.45
O=C(CC1=CC=C(N2C=NN=C2)C=C1)OCC1=N[N-]N=N1	REAL250004673275	1	31	-1.0	-44.02	283.33	7.54	-36.48
O=C(CCC1=CC=CC(OC(F)F)=C1)OCC1=N[N-]N=N1	REAL250004673276	0	32	-1.0	-40.20	293.07	4.95	-35.25
O=C(CCC1=CC=CC(OC(F)F)=C1)OCC1=NN=N[N-]1	REAL250004673276	1	32	-1.0	-40.21	293.13	4.96	-35.25
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(Br)O1	REAL250004673277	0	22	-1.0	-36.75	232.63	3.26	-33.49
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(Br)O1	REAL250004673277	1	22	-1.0	-36.73	232.69	3.28	-33.45
O=C(OCC1=NN=N[N-]1)C1=NC2=CN=CC=C2C=C1	REAL250004673278	0	26	-1.0	-45.39	247.22	2.37	-43.02
O=C(OCC1=N[N-]N=N1)C1=NC2=CN=CC=C2C=C1	REAL250004673278	1	26	-1.0	-45.39	247.16	2.36	-43.03
CC(=O)NC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673279	0	32	-1.0	-43.22	288.51	3.47	-39.75
CC(=O)NC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673279	1	32	-1.0	-43.21	288.57	3.48	-39.73
COC(=O)N1CC2CCC1C(C(=O)OCC1=N[N-]N=N1)C2	REAL250004673280	0	37	-1.0	-45.93	301.33	4.25	-41.68
COC(=O)N1CC2CCC1C(C(=O)OCC1=NN=N[N-]1)C2	REAL250004673280	1	37	-1.0	-45.95	301.38	4.26	-41.69
COC(=O)N1CC2C=CC1C(C(=O)OCC1=N[N-]N=N1)C2	REAL250004673281	0	35	-1.0	-45.68	293.23	4.25	-41.43
COC(=O)N1CC2C=CC1C(C(=O)OCC1=NN=N[N-]1)C2	REAL250004673281	1	35	-1.0	-45.66	293.28	4.26	-41.40
C=CCC1(C(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004673282	0	33	-1.0	-38.72	266.15	3.19	-35.53
C=CCC1(C(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004673282	1	33	-1.0	-38.73	266.21	3.20	-35.53
O=C(CC1=NSC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673283	0	27	-1.0	-41.81	263.16	4.55	-37.26
O=C(CC1=NSC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673283	1	27	-1.0	-41.82	263.22	4.57	-37.25
COC1=CC2=NC=C(C(=O)OCC3=NN=N[N-]3)N2C=C1	REAL250004673284	0	29	-1.0	-39.08	264.20	3.51	-35.57
COC1=CC2=NC=C(C(=O)OCC3=N[N-]N=N3)N2C=C1	REAL250004673284	1	29	-1.0	-39.09	264.14	3.50	-35.59
COC1=CC=CC(S(=O)CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673285	0	31	-1.0	-51.14	292.43	1.91	-49.23
COC1=CC=CC(S(=O)CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673285	1	31	-1.0	-51.11	292.49	1.93	-49.18
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL250004673286	0	23	-1.0	-36.87	241.05	2.82	-34.05
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=N1	REAL250004673286	1	23	-1.0	-36.89	240.99	2.81	-34.08
CCOC1CC2(CC2C(=O)OCC2=N[N-]N=N2)C1	REAL250004673287	0	33	-1.0	-38.82	285.48	4.22	-34.60
CCOC1CC2(CC2C(=O)OCC2=NN=N[N-]2)C1	REAL250004673287	1	33	-1.0	-38.80	285.54	4.23	-34.57
CCCC1=CC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673288	0	28	-1.0	-38.88	266.23	5.19	-33.69
CCCC1=CC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673288	1	28	-1.0	-38.87	266.29	5.20	-33.67
O=C(CCCOC1CCOCC1)OCC1=N[N-]N=N1	REAL250004673289	0	36	-1.0	-39.80	302.52	2.66	-37.14
O=C(CCCOC1CCOCC1)OCC1=NN=N[N-]1	REAL250004673289	1	36	-1.0	-39.83	302.58	2.67	-37.16
CCN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2CC2)=N1	REAL250004673290	0	32	-1.0	-39.81	285.78	4.53	-35.28
CCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2CC2)=N1	REAL250004673290	1	32	-1.0	-39.81	285.84	4.55	-35.26
CC1=CC2=C(SC=C2CC(=O)OCC2=N[N-]N=N2)S1	REAL250004673291	0	28	-1.0	-39.12	281.90	5.81	-33.31
CC1=CC2=C(SC=C2CC(=O)OCC2=NN=N[N-]2)S1	REAL250004673291	1	28	-1.0	-39.11	281.95	5.82	-33.29
CCOC(C(=O)OCC1=N[N-]N=N1)C1CCOC1	REAL250004673292	0	33	-1.0	-37.85	276.54	2.22	-35.63
CCOC(C(=O)OCC1=NN=N[N-]1)C1CCOC1	REAL250004673292	1	33	-1.0	-37.83	276.60	2.23	-35.60
CC(C)(C)CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673293	0	37	-1.0	-38.78	306.80	6.81	-31.97
CC(C)(C)CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673293	1	37	-1.0	-38.77	306.85	6.82	-31.95
CCOC1COCCC1CC(=O)OCC1=N[N-]N=N1	REAL250004673294	0	36	-1.0	-38.48	295.73	2.73	-35.75
CCOC1COCCC1CC(=O)OCC1=NN=N[N-]1	REAL250004673294	1	36	-1.0	-38.49	295.78	2.74	-35.75
CN1C=C(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)C=N1	REAL250004673295	0	32	-1.0	-42.91	290.24	5.07	-37.84
CN1C=C(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)C=N1	REAL250004673295	1	32	-1.0	-42.88	290.18	5.05	-37.83
CC1=NN(CC(=O)OCC2=N[N-]N=N2)C(C(F)F)=C1	REAL250004673296	0	28	-1.0	-39.96	265.30	3.22	-36.74
CC1=NN(CC(=O)OCC2=NN=N[N-]2)C(C(F)F)=C1	REAL250004673296	1	28	-1.0	-39.94	265.36	3.23	-36.71
O=C(CC1=CN2C=C(F)C=CC2=N1)OCC1=N[N-]N=N1	REAL250004673297	0	28	-1.0	-45.06	264.95	5.23	-39.83
O=C(CC1=CN2C=C(F)C=CC2=N1)OCC1=NN=N[N-]1	REAL250004673297	1	28	-1.0	-45.07	265.01	5.24	-39.83
COC1=CN=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004673298	0	25	-1.0	-43.03	240.16	1.30	-41.73
COC1=CN=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004673298	1	25	-1.0	-43.04	240.10	1.28	-41.76
CC(C)(C)N1C=CC=C(C(=O)OCC2=N[N-]N=N2)C1=O	REAL250004673299	0	34	-1.0	-59.57	284.45	5.11	-54.46
CC(C)(C)N1C=CC=C(C(=O)OCC2=NN=N[N-]2)C1=O	REAL250004673299	1	34	-1.0	-59.57	284.51	5.12	-54.45
CC1=CSC2=NC(CC(=O)OCC3=N[N-]N=N3)=CN12	REAL250004673300	0	28	-1.0	-48.12	270.43	4.91	-43.21
CC1=CSC2=NC(CC(=O)OCC3=NN=N[N-]3)=CN12	REAL250004673300	1	28	-1.0	-48.12	270.49	4.92	-43.20
O=C(CN1C=NC=C1C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673301	0	32	-1.0	-41.41	284.06	6.78	-34.63
O=C(CN1C=NC=C1C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673301	1	32	-1.0	-41.39	284.12	6.80	-34.59
CC1=NN(CC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673302	0	31	-1.0	-38.88	271.84	3.92	-34.96
CC1=NN(CC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673302	1	31	-1.0	-38.87	271.90	3.93	-34.94
O=C(CC1=CC2=CC=NC=C2C=C1)OCC1=N[N-]N=N1	REAL250004673303	0	30	-1.0	-40.56	273.42	5.04	-35.52
O=C(CC1=CC2=CC=NC=C2C=C1)OCC1=NN=N[N-]1	REAL250004673303	1	30	-1.0	-40.54	273.48	5.06	-35.48
O=C(OCC1=N[N-]N=N1)C1=CC=CN(C2CC2)C1=O	REAL250004673304	0	29	-1.0	-60.43	261.09	4.84	-55.59
O=C(OCC1=NN=N[N-]1)C1=CC=CN(C2CC2)C1=O	REAL250004673304	1	29	-1.0	-60.38	261.15	4.86	-55.52
O=C(CN1CCCCC(=O)C1=O)OCC1=N[N-]N=N1	REAL250004673305	0	31	-1.0	-44.06	269.41	2.64	-41.42
O=C(CN1CCCCC(=O)C1=O)OCC1=NN=N[N-]1	REAL250004673305	1	31	-1.0	-44.09	269.47	2.64	-41.45
O=C(OCC1=N[N-]N=N1)C1CC2CCCCC(C1)C2=O	REAL250004673306	0	37	-1.0	-37.61	283.29	5.06	-32.55
O=C(OCC1=NN=N[N-]1)C1CC2CCCCC(C1)C2=O	REAL250004673306	1	37	-1.0	-37.57	283.34	5.08	-32.49
NC(=O)[C@@H]1CC[C@H](CCC(=O)OCC2=N[N-]N=N2)O1	REAL250004673307	0	33	-1.0	-49.22	288.33	0.54	-48.68
NC(=O)[C@@H]1CC[C@H](CCC(=O)OCC2=NN=N[N-]2)O1	REAL250004673307	1	33	-1.0	-49.25	288.39	0.55	-48.70
CC(C)(C)OC(=O)NC1CC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004673308	0	39	-1.0	-40.36	325.01	2.69	-37.67
CC(C)(C)OC(=O)NC1CC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004673308	1	39	-1.0	-40.38	325.07	2.71	-37.67
C[C@H](CC(=O)OCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004673309	0	38	-1.0	-42.50	318.27	2.59	-39.91
C[C@H](CC(=O)OCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004673309	1	38	-1.0	-42.45	318.33	2.60	-39.85
COC1=CC=CC(C(C)(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673310	0	35	-1.0	-41.39	294.81	4.76	-36.63
COC1=CC=CC(C(C)(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673310	1	35	-1.0	-41.38	294.87	4.77	-36.61
O=C(C=CCCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673311	0	32	-1.0	-39.08	288.59	6.71	-32.37
O=C(C=CCCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673311	1	32	-1.0	-39.03	288.65	6.73	-32.30
O=C(C=CCOC1CCOCC1)OCC1=N[N-]N=N1	REAL250004673312	0	34	-1.0	-40.08	294.40	2.45	-37.63
O=C(C=CCOC1CCOCC1)OCC1=NN=N[N-]1	REAL250004673312	1	34	-1.0	-40.05	294.46	2.46	-37.59
O=C(C=CC1=CC=C(Cl)N=C1)OCC1=N[N-]N=N1	REAL250004673313	0	25	-1.0	-40.34	253.92	3.70	-36.64
O=C(C=CC1=CC=C(Cl)N=C1)OCC1=NN=N[N-]1	REAL250004673313	1	25	-1.0	-40.32	253.98	3.71	-36.61
COC(=O)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)O1	REAL250004673314	0	29	-1.0	-41.68	283.09	4.09	-37.59
COC(=O)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)O1	REAL250004673314	1	29	-1.0	-41.65	283.14	4.10	-37.55
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004673315	0	32	-1.0	-39.13	286.10	5.84	-33.29
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004673315	1	32	-1.0	-39.07	286.15	5.86	-33.21
CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004673316	0	34	-1.0	-41.90	291.99	5.03	-36.87
CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004673316	1	34	-1.0	-41.92	292.05	5.04	-36.88
COC(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1C	REAL250004673317	0	31	-1.0	-38.12	281.05	4.96	-33.16
COC(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1C	REAL250004673317	1	31	-1.0	-38.12	281.10	4.98	-33.14
CC(C)(C)C1=CSC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673318	0	30	-1.0	-39.55	277.22	3.52	-36.03
CC(C)(C)C1=CSC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673318	1	30	-1.0	-39.58	277.16	3.50	-36.08
O=C(OCC1=N[N-]N=N1)C1=CON=C1C1CCCC1	REAL250004673319	0	31	-1.0	-35.98	271.20	4.38	-31.60
O=C(OCC1=NN=N[N-]1)C1=CON=C1C1CCCC1	REAL250004673319	1	31	-1.0	-35.94	271.26	4.40	-31.54
CN1N=C(C2CCC2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673320	0	32	-1.0	-35.69	276.68	4.12	-31.57
CN1N=C(C2CCC2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673320	1	32	-1.0	-35.69	276.73	4.14	-31.55
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004673321	0	31	-1.0	-37.81	280.96	4.79	-33.02
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL250004673321	1	31	-1.0	-37.79	281.02	4.81	-32.98
O=C(OCC1=N[N-]N=N1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL250004673322	0	29	-1.0	-39.58	265.74	5.93	-33.65
O=C(OCC1=NN=N[N-]1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL250004673322	1	29	-1.0	-39.53	265.79	5.94	-33.59
CC1CCCN2C(CC(=O)OCC3=N[N-]N=N3)=CN=C12	REAL250004673323	0	35	-1.0	-42.72	295.63	5.11	-37.61
CC1CCCN2C(CC(=O)OCC3=NN=N[N-]3)=CN=C12	REAL250004673323	1	35	-1.0	-42.72	295.69	5.12	-37.60
CC1=CC(C)=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CN21	REAL250004673324	0	31	-1.0	-53.84	279.02	5.66	-48.18
CC1=CC(C)=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CN21	REAL250004673324	1	31	-1.0	-53.83	279.08	5.67	-48.16
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004673325	0	28	-1.0	-37.41	255.90	5.12	-32.29
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004673325	1	28	-1.0	-37.42	255.95	5.13	-32.29
O=C(CSCCC(F)(F)F)OCC1=N[N-]N=N1	REAL250004673326	0	25	-1.0	-37.76	256.56	4.07	-33.69
O=C(CSCCC(F)(F)F)OCC1=NN=N[N-]1	REAL250004673326	1	25	-1.0	-37.78	256.62	4.08	-33.70
CN(C(=O)OC(C)(C)C)C1(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673327	0	39	-1.0	-47.27	325.77	4.19	-43.08
CN(C(=O)OC(C)(C)C)C1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673327	1	39	-1.0	-47.24	325.83	4.21	-43.03
CC(C)(OCC(F)(F)F)C(=O)OCC1=N[N-]N=N1	REAL250004673328	0	28	-1.0	-40.11	260.56	3.08	-37.03
CC(C)(OCC(F)(F)F)C(=O)OCC1=NN=N[N-]1	REAL250004673328	1	28	-1.0	-40.14	260.62	3.10	-37.04
O=C(OCC1=N[N-]N=N1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250004673329	0	28	-1.0	-36.36	252.56	4.35	-32.01
O=C(OCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250004673329	1	28	-1.0	-36.35	252.61	4.36	-31.99
CC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004673330	0	30	-1.0	-41.64	271.14	4.78	-36.86
CC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004673330	1	30	-1.0	-41.66	271.08	4.77	-36.89
CC1=C(C(=O)OCC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004673331	0	30	-1.0	-51.16	272.06	4.92	-46.24
CC1=C(C(=O)OCC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004673331	1	30	-1.0	-51.20	272.00	4.90	-46.30
CC1(C)C2CCC1(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004673332	0	35	-1.0	-38.77	267.24	5.06	-33.71
CC1(C)C2CCC1(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004673332	1	35	-1.0	-38.76	267.29	5.08	-33.68
CS(=O)(=O)C1CCCC1C(=O)OCC1=N[N-]N=N1	REAL250004673333	0	31	-1.0	-48.86	276.72	0.88	-47.98
CS(=O)(=O)C1CCCC1C(=O)OCC1=NN=N[N-]1	REAL250004673333	1	31	-1.0	-48.85	276.78	0.90	-47.95
CN1C=CC(C(C)(C)C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673334	0	31	-1.0	-40.99	272.39	3.34	-37.65
CN1C=CC(C(C)(C)C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673334	1	31	-1.0	-40.97	272.33	3.32	-37.65
CCC1=NN(C)C(CC)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673335	0	34	-1.0	-42.12	299.15	4.14	-37.98
CCC1=NN(C)C(CC)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673335	1	34	-1.0	-42.11	299.20	4.15	-37.96
CC1=C(C(=O)OCC2=N[N-]N=N2)C(CC2=CC=CC=C2)=NO1	REAL250004673336	0	34	-1.0	-39.10	312.56	6.48	-32.62
CC1=C(C(=O)OCC2=NN=N[N-]2)C(CC2=CC=CC=C2)=NO1	REAL250004673336	1	34	-1.0	-39.11	312.62	6.50	-32.61
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2OC1	REAL250004673337	0	28	-1.0	-38.58	271.65	4.79	-33.79
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL250004673337	1	28	-1.0	-38.60	271.70	4.81	-33.79
CCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)N=C1	REAL250004673338	0	31	-1.0	-42.40	277.30	3.09	-39.31
CCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)N=C1	REAL250004673338	1	31	-1.0	-42.40	277.36	3.11	-39.29
O=C(C=CC1=CC=C(C(F)F)O1)OCC1=N[N-]N=N1	REAL250004673339	0	26	-1.0	-42.33	259.42	4.32	-38.01
O=C(C=CC1=CC=C(C(F)F)O1)OCC1=NN=N[N-]1	REAL250004673339	1	26	-1.0	-42.33	259.48	4.33	-38.00
COC(=O)C1CC2(C1)CC(C(=O)OCC1=N[N-]N=N1)C2	REAL250004673340	0	35	-1.0	-39.94	302.80	5.39	-34.55
COC(=O)C1CC2(C1)CC(C(=O)OCC1=NN=N[N-]1)C2	REAL250004673340	1	35	-1.0	-39.94	302.86	5.40	-34.54
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)N=C(Cl)S1	REAL250004673341	0	27	-1.0	-42.56	270.85	3.29	-39.27
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)N=C(Cl)S1	REAL250004673341	1	27	-1.0	-42.56	270.80	3.28	-39.28
O=C(OCC1=N[N-]N=N1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004673342	0	27	-1.0	-39.55	264.76	2.63	-36.92
O=C(OCC1=NN=N[N-]1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL250004673342	1	27	-1.0	-39.56	264.82	2.65	-36.91
O=C(OCC1=N[N-]N=N1)C1=COC2=C1C(=O)NCC2	REAL250004673343	0	27	-1.0	-51.96	249.50	1.38	-50.58
O=C(OCC1=NN=N[N-]1)C1=COC2=C1C(=O)NCC2	REAL250004673343	1	27	-1.0	-51.94	249.56	1.39	-50.55
CC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673344	0	32	-1.0	-38.37	281.74	6.61	-31.76
CC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673344	1	32	-1.0	-38.36	281.80	6.62	-31.74
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)OCC1=NN=N[N-]1	REAL250004673345	0	35	-1.0	-42.50	316.71	6.23	-36.27
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)OCC1=N[N-]N=N1	REAL250004673345	1	35	-1.0	-42.46	316.65	6.22	-36.24
CCCC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)O1	REAL250004673346	0	31	-1.0	-38.98	275.84	4.91	-34.07
CCCC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)O1	REAL250004673346	1	31	-1.0	-38.95	275.90	4.93	-34.02
CN1C=CC2=CC=NC(C(=O)OCC3=NN=N[N-]3)=C21	REAL250004673347	0	28	-1.0	-46.14	256.54	3.58	-42.56
CN1C=CC2=CC=NC(C(=O)OCC3=N[N-]N=N3)=C21	REAL250004673347	1	28	-1.0	-46.15	256.48	3.57	-42.58
O=C(CSCC(=O)N1CCCCC1)OCC1=N[N-]N=N1	REAL250004673348	0	36	-1.0	-45.92	314.07	4.49	-41.43
O=C(CSCC(=O)N1CCCCC1)OCC1=NN=N[N-]1	REAL250004673348	1	36	-1.0	-45.89	314.13	4.51	-41.38
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCCCC2)S1	REAL250004673349	0	35	-1.0	-39.32	290.56	6.33	-32.99
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCCCC2)S1	REAL250004673349	1	35	-1.0	-39.29	290.62	6.35	-32.94
O=C(C=CC1=CC=C2OCCOC2=C1)OCC1=N[N-]N=N1	REAL250004673350	0	32	-1.0	-41.24	286.04	4.17	-37.07
O=C(C=CC1=CC=C2OCCOC2=C1)OCC1=NN=N[N-]1	REAL250004673350	1	32	-1.0	-41.23	286.10	4.19	-37.04
CCCC1=C(CC)C=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673351	0	34	-1.0	-38.73	304.28	6.42	-32.31
CCCC1=C(CC)C=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673351	1	34	-1.0	-38.71	304.34	6.44	-32.27
CC1=C(C)C2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2N1	REAL250004673352	0	32	-1.0	-41.82	283.81	5.02	-36.80
CC1=C(C)C2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2N1	REAL250004673352	1	32	-1.0	-41.82	283.87	5.04	-36.78
CSC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004673353	0	28	-1.0	-38.51	273.80	5.29	-33.22
CSC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004673353	1	28	-1.0	-38.49	273.86	5.30	-33.19
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(Cl)=C1OC	REAL250004673354	0	30	-1.0	-37.36	288.89	3.62	-33.74
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(Cl)=C1OC	REAL250004673354	1	30	-1.0	-37.38	288.94	3.64	-33.74
O=C(CSCC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004673355	0	29	-1.0	-39.25	283.25	5.99	-33.26
O=C(CSCC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004673355	1	29	-1.0	-39.30	283.31	6.00	-33.30
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004673356	0	31	-1.0	-45.06	286.61	2.94	-42.12
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004673356	1	31	-1.0	-45.09	286.55	2.93	-42.16
CS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673357	0	28	-1.0	-45.13	270.92	1.32	-43.81
CS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673357	1	28	-1.0	-45.10	270.98	1.34	-43.76
CSCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673358	0	29	-1.0	-39.69	276.39	5.67	-34.02
CSCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673358	1	29	-1.0	-39.72	276.45	5.69	-34.03
CS(=O)(=O)CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673359	0	31	-1.0	-51.55	295.30	1.98	-49.57
CS(=O)(=O)CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673359	1	31	-1.0	-51.55	295.36	1.99	-49.56
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=NN=N2)=C1	REAL250004673360	0	27	-1.0	-47.64	258.58	3.95	-43.69
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=NN=N2)=C1	REAL250004673360	1	27	-1.0	-47.65	258.52	3.94	-43.71
O=C(CSCC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004673361	0	29	-1.0	-39.23	293.57	6.43	-32.80
O=C(CSCC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004673361	1	29	-1.0	-39.22	293.63	6.44	-32.78
O=C(CSCC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004673362	0	29	-1.0	-38.80	293.57	6.44	-32.36
O=C(CSCC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004673362	1	29	-1.0	-38.79	293.63	6.45	-32.34
O=C(COC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004673363	0	26	-1.0	-38.17	247.74	4.11	-34.06
O=C(COC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004673363	1	26	-1.0	-38.19	247.80	4.12	-34.07
CC1CCC2=C(C=C(C(=O)OCC3=N[N-]N=N3)S2)C1	REAL250004673364	0	32	-1.0	-38.79	285.83	6.04	-32.75
CC1CCC2=C(C=C(C(=O)OCC3=NN=N[N-]3)S2)C1	REAL250004673364	1	32	-1.0	-38.76	285.89	6.06	-32.70
CCN1N=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673365	0	30	-1.0	-39.63	276.08	3.11	-36.52
CCN1N=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673365	1	30	-1.0	-39.62	276.02	3.10	-36.52
CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1OC	REAL250004673366	0	33	-1.0	-39.00	290.75	3.90	-35.10
CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1OC	REAL250004673366	1	33	-1.0	-39.00	290.81	3.92	-35.08
CN(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004673367	0	32	-1.0	-38.32	290.39	5.03	-33.29
CN(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004673367	1	32	-1.0	-38.32	290.45	5.05	-33.27
CNC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004673368	0	29	-1.0	-39.07	270.37	3.47	-35.60
CNC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004673368	1	29	-1.0	-39.08	270.43	3.49	-35.59
CC(C)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673369	0	35	-1.0	-38.78	302.32	6.94	-31.84
CC(C)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673369	1	35	-1.0	-38.74	302.38	6.96	-31.78
CC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004673370	0	32	-1.0	-39.07	282.81	5.42	-33.65
CC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004673370	1	32	-1.0	-39.04	282.87	5.44	-33.60
CCCC1=C(C)SC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673371	0	31	-1.0	-39.01	284.59	5.70	-33.31
CCCC1=C(C)SC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673371	1	31	-1.0	-39.01	284.65	5.72	-33.29
CC1=CC=CC(CSCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673372	0	32	-1.0	-39.21	298.25	6.59	-32.62
CC1=CC=CC(CSCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673372	1	32	-1.0	-39.21	298.30	6.60	-32.61
CON=CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673373	0	29	-1.0	-40.62	273.72	3.89	-36.73
CON=CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673373	1	29	-1.0	-40.61	273.78	3.90	-36.71
CC(SC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673374	0	29	-1.0	-38.20	274.70	5.80	-32.40
CC(SC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673374	1	29	-1.0	-38.22	274.76	5.82	-32.40
CC1(C2CC2)NC(=O)N(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004673375	0	34	-1.0	-43.78	302.12	2.55	-41.23
CC1(C2CC2)NC(=O)N(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004673375	1	34	-1.0	-43.74	302.18	2.56	-41.18
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2CCOC2=O)C=C1	REAL250004673376	0	31	-1.0	-45.15	278.82	3.86	-41.29
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL250004673376	1	31	-1.0	-45.14	278.87	3.88	-41.26
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004673377	0	31	-1.0	-53.38	279.02	3.84	-49.54
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL250004673377	1	31	-1.0	-53.35	279.08	3.86	-49.49
CC(C)(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=NN1	REAL250004673378	0	31	-1.0	-42.22	272.84	2.71	-39.51
CC(C)(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=NN1	REAL250004673378	1	31	-1.0	-42.22	272.90	2.72	-39.50
CC1=CC=C(N2C=C(C(=O)OCC3=NN=N[N-]3)N=N2)C=C1	REAL250004673379	0	31	-1.0	-45.23	287.20	4.20	-41.03
CC1=CC=C(N2C=C(C(=O)OCC3=N[N-]N=N3)N=N2)C=C1	REAL250004673379	1	31	-1.0	-45.23	287.14	4.19	-41.04
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004673380	0	28	-1.0	-45.59	265.80	3.53	-42.06
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL250004673380	1	28	-1.0	-45.61	265.74	3.51	-42.10
O=C(CCCC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004673381	0	31	-1.0	-38.65	292.04	6.67	-31.98
O=C(CCCC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004673381	1	31	-1.0	-38.62	292.10	6.68	-31.94
CCCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C	REAL250004673382	0	31	-1.0	-41.75	273.96	3.50	-38.25
CCCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C	REAL250004673382	1	31	-1.0	-41.75	274.01	3.52	-38.23
CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004673383	0	25	-1.0	-38.11	243.64	2.23	-35.88
CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004673383	1	25	-1.0	-38.11	243.58	2.22	-35.89
CCN1N=C(C(C)C)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673384	0	34	-1.0	-35.39	293.35	4.31	-31.08
CCN1N=C(C(C)C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673384	1	34	-1.0	-35.42	293.41	4.33	-31.09
O=C(OCC1=N[N-]N=N1)C1CC(=O)N(CC(F)(F)F)C1	REAL250004673385	0	29	-1.0	-41.92	275.46	2.91	-39.01
O=C(OCC1=NN=N[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL250004673385	1	29	-1.0	-41.93	275.52	2.92	-39.01
COC1=CC=C2OCC(C(=O)OCC3=N[N-]N=N3)CC2=C1	REAL250004673386	0	34	-1.0	-37.73	292.98	3.66	-34.07
COC1=CC=C2OCC(C(=O)OCC3=NN=N[N-]3)CC2=C1	REAL250004673386	1	34	-1.0	-37.73	293.03	3.67	-34.06
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004673387	0	29	-1.0	-54.34	274.33	5.14	-49.20
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1	REAL250004673387	1	29	-1.0	-54.38	274.27	5.13	-49.25
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL250004673388	0	29	-1.0	-46.60	276.23	5.06	-41.54
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL250004673388	1	29	-1.0	-46.59	276.18	5.04	-41.55
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1	REAL250004673389	0	29	-1.0	-47.94	269.82	4.99	-42.95
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1	REAL250004673389	1	29	-1.0	-47.93	269.77	4.97	-42.96
O=C(CCCOCCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673390	0	38	-1.0	-39.24	330.83	6.21	-33.03
O=C(CCCOCCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673390	1	38	-1.0	-39.24	330.89	6.22	-33.02
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(=O)CCCC2=C1	REAL250004673391	0	33	-1.0	-41.12	285.63	3.87	-37.25
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(=O)CCCC2=C1	REAL250004673391	1	33	-1.0	-41.14	285.69	3.89	-37.25
O=C(OCC1=NN=N[N-]1)C1=C(N2C=NN=N2)C=CS1	REAL250004673392	0	24	-1.0	-49.85	247.09	3.35	-46.50
O=C(OCC1=N[N-]N=N1)C1=C(N2C=NN=N2)C=CS1	REAL250004673392	1	24	-1.0	-49.87	247.04	3.34	-46.53
CC(C)SC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673393	0	32	-1.0	-42.04	282.55	5.99	-36.05
CC(C)SC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673393	1	32	-1.0	-42.05	282.61	6.01	-36.04
O=C(OCC1=N[N-]N=N1)C1CCCN(C(=O)C2CC2)C1	REAL250004673394	0	36	-1.0	-43.67	300.02	4.42	-39.25
O=C(OCC1=NN=N[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL250004673394	1	36	-1.0	-43.69	300.08	4.43	-39.26
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL250004673395	0	28	-1.0	-42.99	261.10	6.75	-36.24
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=NN=C2)C=C1	REAL250004673395	1	28	-1.0	-43.01	261.05	6.74	-36.27
O=C(CC1=CC=CC=C1C(F)(F)F)OCC1=N[N-]N=N1	REAL250004673396	0	28	-1.0	-40.83	261.43	5.29	-35.54
O=C(CC1=CC=CC=C1C(F)(F)F)OCC1=NN=N[N-]1	REAL250004673396	1	28	-1.0	-40.76	261.49	5.30	-35.46
N#CCN1C(C(=O)OCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004673397	0	30	-1.0	-41.84	282.08	6.03	-35.81
N#CCN1C(C(=O)OCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004673397	1	30	-1.0	-41.85	282.14	6.04	-35.81
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2CC2)S1	REAL250004673398	0	25	-1.0	-38.76	249.57	3.41	-35.35
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2CC2)S1	REAL250004673398	1	25	-1.0	-38.77	249.63	3.42	-35.35
O=C(OCC1=N[N-]N=N1)C1=C(OC(F)F)C=CS1	REAL250004673399	0	23	-1.0	-42.37	239.12	3.02	-39.35
O=C(OCC1=NN=N[N-]1)C1=C(OC(F)F)C=CS1	REAL250004673399	1	23	-1.0	-42.35	239.18	3.03	-39.32
CCCC(NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004673400	0	41	-1.0	-36.11	332.64	2.84	-33.27
CCCC(NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004673400	1	41	-1.0	-36.13	332.70	2.85	-33.28
COC(=O)N(C)CCCC(=O)OCC1=N[N-]N=N1	REAL250004673401	0	32	-1.0	-44.18	285.17	2.69	-41.49
COC(=O)N(C)CCCC(=O)OCC1=NN=N[N-]1	REAL250004673401	1	32	-1.0	-44.18	285.23	2.70	-41.48
CC(C)OC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673402	0	32	-1.0	-43.85	277.39	5.36	-38.49
CC(C)OC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673402	1	32	-1.0	-43.85	277.44	5.37	-38.48
O=C(CN1CC2=CC=CC=C2C1=O)OCC1=N[N-]N=N1	REAL250004673403	0	30	-1.0	-47.74	276.22	4.37	-43.37
O=C(CN1CC2=CC=CC=C2C1=O)OCC1=NN=N[N-]1	REAL250004673403	1	30	-1.0	-47.79	276.28	4.38	-43.41
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=CC=CC=N2)=N1	REAL250004673404	0	27	-1.0	-52.80	271.48	2.67	-50.13
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL250004673404	1	27	-1.0	-52.78	271.54	2.69	-50.09
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004673405	0	27	-1.0	-41.56	272.37	3.04	-38.52
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL250004673405	1	27	-1.0	-41.57	272.43	3.06	-38.51
CC1=CC=C2OC(C(=O)OCC3=N[N-]N=N3)=CC2=N1	REAL250004673406	0	27	-1.0	-42.01	256.09	3.08	-38.93
CC1=CC=C2OC(C(=O)OCC3=NN=N[N-]3)=CC2=N1	REAL250004673406	1	27	-1.0	-41.97	256.15	3.10	-38.87
CC1=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004673407	0	30	-1.0	-41.38	272.98	4.74	-36.64
CC1=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004673407	1	30	-1.0	-41.40	273.03	4.76	-36.64
CS(=O)(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673408	0	30	-1.0	-45.92	283.61	0.46	-45.46
CS(=O)(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673408	1	30	-1.0	-45.90	283.67	0.47	-45.43
COC1=CC=C(CC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673409	0	35	-1.0	-38.21	299.82	5.12	-33.09
COC1=CC=C(CC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673409	1	35	-1.0	-38.20	299.88	5.13	-33.07
CN1C(=O)CCC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673410	0	33	-1.0	-40.63	286.82	4.69	-35.94
CN1C(=O)CCC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673410	1	33	-1.0	-40.60	286.88	4.70	-35.90
CC1=C(CCC(=O)OCC2=N[N-]N=N2)C=NN1C	REAL250004673411	0	31	-1.0	-40.69	274.09	3.56	-37.13
CC1=C(CCC(=O)OCC2=NN=N[N-]2)C=NN1C	REAL250004673411	1	31	-1.0	-40.67	274.14	3.57	-37.10
COC1CCC(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004673412	0	35	-1.0	-37.92	282.64	3.89	-34.03
COC1CCC(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004673412	1	35	-1.0	-37.94	282.70	3.91	-34.03
O=C(OCC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2N=C1	REAL250004673413	0	27	-1.0	-37.80	258.06	4.25	-33.55
O=C(OCC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2N=C1	REAL250004673413	1	27	-1.0	-37.79	258.00	4.23	-33.56
O=C(OCC1=NN=N[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL250004673414	0	28	-1.0	-40.18	272.56	1.78	-38.40
O=C(OCC1=N[N-]N=N1)C1=CC=NC(OCC(F)F)=C1	REAL250004673414	1	28	-1.0	-40.17	272.50	1.76	-38.41
N#CC1=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004673415	0	29	-1.0	-40.23	277.28	6.40	-33.83
N#CC1=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004673415	1	29	-1.0	-40.24	277.34	6.42	-33.82
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004673416	0	26	-1.0	-36.41	255.77	3.63	-32.78
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004673416	1	26	-1.0	-36.38	255.82	3.64	-32.74
COCC1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673417	0	28	-1.0	-38.66	269.17	1.25	-37.41
COCC1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673417	1	28	-1.0	-38.63	269.23	1.27	-37.36
CC(=CC1=CC=CC(Cl)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673418	0	29	-1.0	-38.94	273.75	6.04	-32.90
CC(=CC1=CC=CC(Cl)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673418	1	29	-1.0	-38.94	273.81	6.05	-32.89
C=CC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673419	0	32	-1.0	-37.33	281.73	6.31	-31.02
C=CC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673419	1	32	-1.0	-37.32	281.79	6.32	-31.00
COC(=O)C1=CC=CC=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004673420	0	34	-1.0	-43.08	300.00	5.77	-37.31
COC(=O)C1=CC=CC=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004673420	1	34	-1.0	-43.07	300.05	5.78	-37.29
CC1=NOC(C2=CC=CC=C2)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673421	0	31	-1.0	-39.86	284.86	5.51	-34.35
CC1=NOC(C2=CC=CC=C2)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673421	1	31	-1.0	-39.84	284.80	5.49	-34.35
CC(C)C(C(=O)OCC1=N[N-]N=N1)N1CCCCC1	REAL250004673422	0	39	-1.0	-38.14	297.39	4.13	-34.01
CC(C)C(C(=O)OCC1=NN=N[N-]1)N1CCCCC1	REAL250004673422	1	39	-1.0	-38.13	297.45	4.14	-33.99
CCSC1=CC(Cl)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673423	0	29	-1.0	-37.84	283.14	5.98	-31.86
CCSC1=CC(Cl)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673423	1	29	-1.0	-37.86	283.20	5.99	-31.87
CCC(C(=O)OCC1=N[N-]N=N1)C1CCC(C)CC1	REAL250004673424	0	40	-1.0	-37.51	299.12	6.36	-31.15
CCC(C(=O)OCC1=NN=N[N-]1)C1CCC(C)CC1	REAL250004673424	1	40	-1.0	-37.46	299.17	6.38	-31.08
CCC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004673425	0	31	-1.0	-37.49	272.26	5.89	-31.60
CCC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004673425	1	31	-1.0	-37.47	272.31	5.90	-31.57
CNC1=C(C(=O)OCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004673426	0	29	-1.0	-38.60	264.59	3.55	-35.05
CNC1=C(C(=O)OCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004673426	1	29	-1.0	-38.59	264.65	3.56	-35.03
O=C(CCC1=CN=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673427	0	33	-1.0	-40.13	291.71	5.72	-34.41
O=C(CCC1=CN=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673427	1	33	-1.0	-40.12	291.77	5.73	-34.39
CN1C=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C21	REAL250004673428	0	27	-1.0	-43.25	253.71	4.30	-38.95
CN1C=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C21	REAL250004673428	1	27	-1.0	-43.26	253.66	4.29	-38.97
CC(C)CN1N=C(C(=O)OCC2=N[N-]N=N2)CCC1=O	REAL250004673429	0	35	-1.0	-39.32	301.62	3.39	-35.93
CC(C)CN1N=C(C(=O)OCC2=NN=N[N-]2)CCC1=O	REAL250004673429	1	35	-1.0	-39.35	301.67	3.40	-35.95
O=C(OCC1=N[N-]N=N1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL250004673430	0	29	-1.0	-38.81	279.34	6.12	-32.69
O=C(OCC1=NN=N[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL250004673430	1	29	-1.0	-38.78	279.40	6.13	-32.65
O=C(C=CC1=CC(F)=C(F)C(F)=C1)OCC1=N[N-]N=N1	REAL250004673431	0	26	-1.0	-38.72	261.16	5.22	-33.50
O=C(C=CC1=CC(F)=C(F)C(F)=C1)OCC1=NN=N[N-]1	REAL250004673431	1	26	-1.0	-38.74	261.22	5.24	-33.50
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)N=C1Cl	REAL250004673432	0	25	-1.0	-45.46	251.88	1.78	-43.68
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)N=C1Cl	REAL250004673432	1	25	-1.0	-45.48	251.82	1.76	-43.72
CC1=CC(Br)=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673433	0	25	-1.0	-38.28	252.98	5.05	-33.23
CC1=CC(Br)=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673433	1	25	-1.0	-38.29	253.04	5.07	-33.22
C=CCOC1=CC(OC)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673434	0	34	-1.0	-42.26	301.74	4.65	-37.61
C=CCOC1=CC(OC)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673434	1	34	-1.0	-42.27	301.80	4.66	-37.61
CCC1CCCCC1OCC(=O)OCC1=N[N-]N=N1	REAL250004673435	0	38	-1.0	-38.34	306.74	5.44	-32.90
CCC1CCCCC1OCC(=O)OCC1=NN=N[N-]1	REAL250004673435	1	38	-1.0	-38.36	306.80	5.45	-32.91
O=C(OCC1=NN=N[N-]1)C1=C2SC=CC2=CC=C1	REAL250004673436	0	25	-1.0	-41.78	244.82	5.07	-36.71
O=C(OCC1=N[N-]N=N1)C1=C2SC=CC2=CC=C1	REAL250004673436	1	25	-1.0	-41.82	244.76	5.06	-36.76
O=C(OCC1=N[N-]N=N1)C1=C2CCOCC2=CO1	REAL250004673437	0	27	-1.0	-42.21	244.52	1.85	-40.36
O=C(OCC1=NN=N[N-]1)C1=C2CCOCC2=CO1	REAL250004673437	1	27	-1.0	-42.19	244.58	1.86	-40.33
CC1=CN=C(COCC(=O)OCC2=N[N-]N=N2)O1	REAL250004673438	0	28	-1.0	-44.88	264.30	0.07	-44.81
CC1=CN=C(COCC(=O)OCC2=NN=N[N-]2)O1	REAL250004673438	1	28	-1.0	-44.89	264.36	0.09	-44.80
COCC1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673439	0	25	-1.0	-38.39	252.06	0.75	-37.64
COCC1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673439	1	25	-1.0	-38.35	252.12	0.76	-37.59
O=C(NC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=N1)C1CC1	REAL250004673440	0	32	-1.0	-42.87	293.88	3.98	-38.89
O=C(NC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=N1)C1CC1	REAL250004673440	1	32	-1.0	-42.89	293.82	3.96	-38.93
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C(C)C)O1	REAL250004673441	0	30	-1.0	-43.41	271.27	1.25	-42.16
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C(C)C)O1	REAL250004673441	1	30	-1.0	-43.39	271.32	1.27	-42.12
N#CC1=CC(F)=CC(C2(C(=O)OCC3=N[N-]N=N3)CC2)=C1	REAL250004673442	0	30	-1.0	-45.08	281.05	6.20	-38.88
N#CC1=CC(F)=CC(C2(C(=O)OCC3=NN=N[N-]3)CC2)=C1	REAL250004673442	1	30	-1.0	-45.08	281.10	6.22	-38.86
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC(F)=CC(C#N)=C1	REAL250004673443	0	32	-1.0	-38.65	292.54	5.91	-32.74
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC(F)=CC(C#N)=C1	REAL250004673443	1	32	-1.0	-38.66	292.60	5.93	-32.73
NC(=O)CC1=C(C(=O)OCC2=N[N-]N=N2)C=CO1	REAL250004673444	0	26	-1.0	-47.22	248.71	-0.63	-47.85
NC(=O)CC1=C(C(=O)OCC2=NN=N[N-]2)C=CO1	REAL250004673444	1	26	-1.0	-47.22	248.76	-0.61	-47.83
CC[C@H](C)[C@H](NC(C)=O)C(=O)OCC1=N[N-]N=N1	REAL250004673445	0	34	-1.0	-39.25	283.47	2.19	-37.06
CC[C@H](C)[C@H](NC(C)=O)C(=O)OCC1=NN=N[N-]1	REAL250004673445	1	34	-1.0	-39.22	283.52	2.21	-37.01
O=C(OCC1=N[N-]N=N1)C1CCN(CC(F)(F)F)CC1	REAL250004673446	0	33	-1.0	-38.36	279.05	2.31	-36.05
O=C(OCC1=NN=N[N-]1)C1CCN(CC(F)(F)F)CC1	REAL250004673446	1	33	-1.0	-38.32	279.11	2.32	-36.00
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(C)=C1OC	REAL250004673447	0	33	-1.0	-38.65	287.39	3.69	-34.96
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(C)=C1OC	REAL250004673447	1	33	-1.0	-38.65	287.45	3.71	-34.94
CC(C)C1=CC=C2OC=C(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004673448	0	34	-1.0	-40.22	298.47	6.05	-34.17
CC(C)C1=CC=C2OC=C(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004673448	1	34	-1.0	-40.20	298.53	6.07	-34.13
O=C(OCC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004673450	0	32	-1.0	-45.05	293.56	7.04	-38.01
O=C(OCC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250004673450	1	32	-1.0	-45.04	293.61	7.05	-37.99
CC(C(=O)OCC1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL250004673451	0	34	-1.0	-42.88	298.66	5.66	-37.22
CC(C(=O)OCC1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL250004673451	1	34	-1.0	-42.86	298.72	5.67	-37.19
O=C(CC1(C(F)(F)F)CC1)OCC1=N[N-]N=N1	REAL250004673452	0	25	-1.0	-38.42	237.39	3.81	-34.61
O=C(CC1(C(F)(F)F)CC1)OCC1=NN=N[N-]1	REAL250004673452	1	25	-1.0	-38.43	237.45	3.83	-34.60
O=C(OCC1=N[N-]N=N1)C1=CC=C2OC(=O)NC2=C1	REAL250004673453	0	25	-1.0	-37.85	242.04	1.27	-36.58
O=C(OCC1=NN=N[N-]1)C1=CC=C2OC(=O)NC2=C1	REAL250004673453	1	25	-1.0	-37.85	242.10	1.29	-36.56
CCN1CC(C(=O)OCC2=N[N-]N=N2)CCC1=O	REAL250004673454	0	32	-1.0	-38.26	272.69	3.07	-35.19
CCN1CC(C(=O)OCC2=NN=N[N-]2)CCC1=O	REAL250004673454	1	32	-1.0	-38.27	272.75	3.09	-35.18
COC1CCCCN(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004673455	0	36	-1.0	-43.04	292.81	3.07	-39.97
COC1CCCCN(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004673455	1	36	-1.0	-43.04	292.87	3.08	-39.96
CC1=CC=C(Cl)C=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004673456	0	29	-1.0	-38.37	278.13	5.27	-33.10
CC1=CC=C(Cl)C=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004673456	1	29	-1.0	-38.35	278.19	5.29	-33.06
CC1=CC(C(F)(F)F)=NC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673457	0	26	-1.0	-42.62	263.99	2.87	-39.75
CC1=CC(C(F)(F)F)=NC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673457	1	26	-1.0	-42.62	264.04	2.89	-39.73
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)C=CS1	REAL250004673458	0	22	-1.0	-38.64	228.99	3.58	-35.06
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)C=CS1	REAL250004673458	1	22	-1.0	-38.65	229.05	3.59	-35.06
CC1=CC2=CC=CC=C2N=C1C(=O)OCC1=NN=N[N-]1	REAL250004673459	0	30	-1.0	-47.01	268.28	4.69	-42.32
CC1=CC2=CC=CC=C2N=C1C(=O)OCC1=N[N-]N=N1	REAL250004673459	1	30	-1.0	-47.01	268.22	4.67	-42.34
O=C(CN1N=CC2=CC=CN=C21)OCC1=NN=N[N-]1	REAL250004673460	0	27	-1.0	-46.42	256.05	3.37	-43.05
O=C(CN1N=CC2=CC=CN=C21)OCC1=N[N-]N=N1	REAL250004673460	1	27	-1.0	-46.44	255.99	3.35	-43.09
CC(C)N1C(=O)CC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004673461	0	32	-1.0	-40.02	270.85	3.46	-36.56
CC(C)N1C(=O)CC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004673461	1	32	-1.0	-40.02	270.91	3.48	-36.54
O=C(CN1N=C(C(F)F)C=C1C1CC1)OCC1=N[N-]N=N1	REAL250004673462	0	32	-1.0	-42.87	299.07	4.81	-38.06
O=C(CN1N=C(C(F)F)C=C1C1CC1)OCC1=NN=N[N-]1	REAL250004673462	1	32	-1.0	-42.87	299.12	4.82	-38.05
CCC(CC1=CC=CC(C)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673463	0	37	-1.0	-38.86	306.90	7.05	-31.81
CCC(CC1=CC=CC(C)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673463	1	37	-1.0	-38.82	306.96	7.06	-31.76
CC(C)(C)OC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673464	0	35	-1.0	-39.96	290.65	4.91	-35.05
CC(C)(C)OC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673464	1	35	-1.0	-39.96	290.70	4.92	-35.04
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673465	0	30	-1.0	-40.45	275.93	5.68	-34.77
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673465	1	30	-1.0	-40.39	275.99	5.69	-34.70
CO[C@]12CCC[C@@]1(C(=O)OCC1=N[N-]N=N1)CCO2	REAL250004673466	0	34	-1.0	-41.58	272.09	3.13	-38.45
CO[C@]12CCC[C@@]1(C(=O)OCC1=NN=N[N-]1)CCO2	REAL250004673466	1	34	-1.0	-41.53	272.14	3.15	-38.38
O=C(OCC1=N[N-]N=N1)C1(C2CCCCO2)CCOCC1	REAL250004673467	0	40	-1.0	-41.10	300.39	3.69	-37.41
O=C(OCC1=NN=N[N-]1)C1(C2CCCCO2)CCOCC1	REAL250004673467	1	40	-1.0	-41.09	300.44	3.70	-37.39
O=C(OCC1=N[N-]N=N1)C1CNC(=O)CC1C(F)(F)F	REAL250004673468	0	29	-1.0	-41.07	264.89	0.97	-40.10
O=C(OCC1=NN=N[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL250004673468	1	29	-1.0	-41.09	264.95	0.99	-40.10
N#CC1=CC=C(C2(C(=O)OCC3=N[N-]N=N3)CCCC2)C=C1	REAL250004673469	0	36	-1.0	-41.78	307.51	7.10	-34.68
N#CC1=CC=C(C2(C(=O)OCC3=NN=N[N-]3)CCCC2)C=C1	REAL250004673469	1	36	-1.0	-41.79	307.56	7.11	-34.68
O=C(CC1=CSC(C2CCCC2)=N1)OCC1=N[N-]N=N1	REAL250004673470	0	34	-1.0	-40.06	302.89	4.79	-35.27
O=C(CC1=CSC(C2CCCC2)=N1)OCC1=NN=N[N-]1	REAL250004673470	1	34	-1.0	-40.07	302.95	4.81	-35.26
O=C(CC1=CSC(C2CC2)=N1)OCC1=N[N-]N=N1	REAL250004673471	0	28	-1.0	-40.69	268.90	3.74	-36.95
O=C(CC1=CSC(C2CC2)=N1)OCC1=NN=N[N-]1	REAL250004673471	1	28	-1.0	-40.70	268.96	3.75	-36.95
COC(=O)CC[C@@H]1CC[C@H](C(=O)OCC2=N[N-]N=N2)O1	REAL250004673472	0	35	-1.0	-43.19	306.42	4.15	-39.04
COC(=O)CC[C@@H]1CC[C@H](C(=O)OCC2=NN=N[N-]2)O1	REAL250004673472	1	35	-1.0	-43.18	306.47	4.16	-39.02
COC(=O)[C@@H]1CO[C@H](CCC(=O)OCC2=N[N-]N=N2)C1	REAL250004673473	0	35	-1.0	-42.40	304.83	3.34	-39.06
COC(=O)[C@@H]1CO[C@H](CCC(=O)OCC2=NN=N[N-]2)C1	REAL250004673473	1	35	-1.0	-42.39	304.89	3.35	-39.04
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004673474	0	37	-1.0	-41.01	308.90	5.54	-35.47
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004673474	1	37	-1.0	-41.02	308.95	5.56	-35.46
CC1(C)CCC2=C(C1)C(C(=O)OCC1=N[N-]N=N1)=NO2	REAL250004673475	0	34	-1.0	-43.05	284.56	4.73	-38.32
CC1(C)CCC2=C(C1)C(C(=O)OCC1=NN=N[N-]1)=NO2	REAL250004673475	1	34	-1.0	-43.03	284.61	4.75	-38.28
CC1=C(C(=O)OCC2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL250004673476	0	36	-1.0	-45.04	314.12	7.64	-37.40
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL250004673476	1	36	-1.0	-45.07	314.18	7.65	-37.42
CC1=CC=C2OCC(C(=O)OCC3=N[N-]N=N3)=CC2=C1	REAL250004673477	0	31	-1.0	-39.91	276.35	4.93	-34.98
CC1=CC=C2OCC(C(=O)OCC3=NN=N[N-]3)=CC2=C1	REAL250004673477	1	31	-1.0	-39.91	276.40	4.94	-34.97
CC(C)(C)C1=NC(C(=O)OCC2=NN=N[N-]2)=CO1	REAL250004673478	0	30	-1.0	-43.38	271.21	1.04	-42.34
CC(C)(C)C1=NC(C(=O)OCC2=N[N-]N=N2)=CO1	REAL250004673478	1	30	-1.0	-43.39	271.15	1.02	-42.37
CC1=NN(C2CCOCC2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673479	0	36	-1.0	-39.21	305.31	2.95	-36.26
CC1=NN(C2CCOCC2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673479	1	36	-1.0	-39.15	305.37	2.97	-36.18
O=C(OCC1=N[N-]N=N1)C1=C2NC(=O)COC2=CC=C1	REAL250004673480	0	28	-1.0	-42.17	256.07	1.28	-40.89
O=C(OCC1=NN=N[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL250004673480	1	28	-1.0	-42.15	256.13	1.29	-40.86
CC1=CC=C(C)C(C(C(=O)OCC2=N[N-]N=N2)C(C)C)=C1	REAL250004673481	0	40	-1.0	-38.32	322.78	7.49	-30.83
CC1=CC=C(C)C(C(C(=O)OCC2=NN=N[N-]2)C(C)C)=C1	REAL250004673481	1	40	-1.0	-38.34	322.83	7.50	-30.84
O=C(COCCC1=CC=CS1)OCC1=N[N-]N=N1	REAL250004673482	0	29	-1.0	-38.76	278.61	4.41	-34.35
O=C(COCCC1=CC=CS1)OCC1=NN=N[N-]1	REAL250004673482	1	29	-1.0	-38.77	278.67	4.43	-34.34
CC1=C(C)C2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2N=N1	REAL250004673483	0	32	-1.0	-40.48	282.47	4.12	-36.36
CC1=C(C)C2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2N=N1	REAL250004673483	1	32	-1.0	-40.46	282.52	4.14	-36.32
O=C(OCC1=N[N-]N=N1)C1CCCNS1(=O)=O	REAL250004673484	0	27	-1.0	-47.15	249.08	-2.00	-49.15
O=C(OCC1=NN=N[N-]1)C1CCCNS1(=O)=O	REAL250004673484	1	27	-1.0	-47.13	249.14	-1.98	-49.11
CC1OC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C1C	REAL250004673485	0	33	-1.0	-38.84	283.68	4.89	-33.95
CC1OC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C1C	REAL250004673485	1	33	-1.0	-38.80	283.74	4.90	-33.90
CN1C=C(C(F)(F)C(=O)OCC2=N[N-]N=N2)C=CC1=O	REAL250004673486	0	28	-1.0	-39.98	264.69	3.37	-36.61
CN1C=C(C(F)(F)C(=O)OCC2=NN=N[N-]2)C=CC1=O	REAL250004673486	1	28	-1.0	-39.98	264.75	3.37	-36.61
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL250004673487	0	30	-1.0	-41.39	277.33	1.90	-39.49
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL250004673487	1	30	-1.0	-41.37	277.38	1.92	-39.45
O=C(OCC1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004673488	0	30	-1.0	-40.05	284.05	3.90	-36.15
O=C(OCC1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL250004673488	1	30	-1.0	-40.06	284.11	3.91	-36.15
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004673489	0	31	-1.0	-37.61	281.02	4.97	-32.64
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004673489	1	31	-1.0	-37.61	281.08	4.99	-32.62
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004673490	0	28	-1.0	-37.61	277.52	4.83	-32.78
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004673490	1	28	-1.0	-37.62	277.58	4.84	-32.78
CC(=O)N[C@H]1CC[C@@H](C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673491	0	35	-1.0	-41.72	290.21	2.86	-38.86
CC(=O)N[C@H]1CC[C@@H](C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673491	1	35	-1.0	-41.73	290.27	2.88	-38.85
O=C(OCC1=N[N-]N=N1)C1CC2(C1)CC1(CCC1)C2	REAL250004673492	0	36	-1.0	-36.86	296.85	6.58	-30.28
O=C(OCC1=NN=N[N-]1)C1CC2(C1)CC1(CCC1)C2	REAL250004673492	1	36	-1.0	-36.84	296.91	6.59	-30.25
O=C(OCC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004673493	0	31	-1.0	-44.71	283.80	5.07	-39.64
O=C(OCC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL250004673493	1	31	-1.0	-44.71	283.86	5.08	-39.63
CC1=CC(COCC(=O)OCC2=N[N-]N=N2)=NO1	REAL250004673494	0	28	-1.0	-40.87	263.07	2.71	-38.16
CC1=CC(COCC(=O)OCC2=NN=N[N-]2)=NO1	REAL250004673494	1	28	-1.0	-40.84	263.13	2.72	-38.12
CC1=CC=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C12	REAL250004673495	0	30	-1.0	-40.98	271.74	5.02	-35.96
CC1=CC=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C12	REAL250004673495	1	30	-1.0	-40.97	271.68	5.00	-35.97
CCCN1C=C(C(=O)OCC2=N[N-]N=N2)C(C)=N1	REAL250004673496	0	31	-1.0	-38.65	275.75	3.73	-34.92
CCCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C)=N1	REAL250004673496	1	31	-1.0	-38.65	275.81	3.74	-34.91
CCCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004673497	0	31	-1.0	-41.08	274.29	3.65	-37.43
CCCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004673497	1	31	-1.0	-41.13	274.34	3.66	-37.47
COC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004673498	0	33	-1.0	-39.95	288.49	4.86	-35.09
COC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004673498	1	33	-1.0	-39.95	288.55	4.87	-35.08
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C(F)=C1	REAL250004673499	0	29	-1.0	-38.79	273.02	6.04	-32.75
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C(F)=C1	REAL250004673499	1	29	-1.0	-38.78	273.08	6.06	-32.72
CC1(C)C2CCC1(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004673500	0	35	-1.0	-38.77	267.24	5.06	-33.71
CC1(C)C2CCC1(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004673500	1	35	-1.0	-38.76	267.29	5.08	-33.68
CC(F)(F)C1(C(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004673501	0	32	-1.0	-34.56	261.92	2.78	-31.78
CC(F)(F)C1(C(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004673501	1	32	-1.0	-34.56	261.97	2.80	-31.76
O=C(OCC1=N[N-]N=N1)C1(C2CCCO2)CCC1	REAL250004673502	0	33	-1.0	-36.34	267.61	3.72	-32.62
O=C(OCC1=NN=N[N-]1)C1(C2CCCO2)CCC1	REAL250004673502	1	33	-1.0	-36.31	267.67	3.73	-32.58
O=C(OCC1=N[N-]N=N1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004673503	0	33	-1.0	-41.72	272.06	1.52	-40.20
O=C(OCC1=NN=N[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250004673503	1	33	-1.0	-41.70	272.12	1.54	-40.16
O=C(OCC1=N[N-]N=N1)C1(C2CCCCO2)CCCO1	REAL250004673504	0	37	-1.0	-39.90	294.59	3.75	-36.15
O=C(OCC1=NN=N[N-]1)C1(C2CCCCO2)CCCO1	REAL250004673504	1	37	-1.0	-39.88	294.64	3.76	-36.12
CCC1=C(C)SC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673505	0	28	-1.0	-39.21	263.09	4.92	-34.29
CCC1=C(C)SC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673505	1	28	-1.0	-39.17	263.15	4.94	-34.23
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673506	0	31	-1.0	-48.72	286.99	1.83	-46.89
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673506	1	31	-1.0	-48.72	287.04	1.85	-46.87
O=C(COC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004673507	0	26	-1.0	-38.84	258.06	4.56	-34.28
O=C(COC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004673507	1	26	-1.0	-38.85	258.12	4.57	-34.28
CN(C)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673508	0	34	-1.0	-41.25	293.76	5.45	-35.80
CN(C)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673508	1	34	-1.0	-41.22	293.82	5.47	-35.75
O=C(CN1C(=O)COC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673509	0	31	-1.0	-44.28	278.90	3.35	-40.93
O=C(CN1C(=O)COC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673509	1	31	-1.0	-44.26	278.95	3.36	-40.90
O=C(CN1C(=O)C=NC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673510	0	30	-1.0	-43.62	274.86	3.34	-40.28
O=C(CN1C(=O)C=NC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673510	1	30	-1.0	-43.63	274.80	3.33	-40.30
O=C(OCC1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL250004673511	0	33	-1.0	-43.06	297.36	4.26	-38.80
O=C(OCC1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL250004673511	1	33	-1.0	-43.01	297.42	4.27	-38.74
CN1C(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C1=O	REAL250004673512	0	29	-1.0	-37.61	275.93	3.04	-34.57
CN1C(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C1=O	REAL250004673512	1	29	-1.0	-37.62	275.99	3.05	-34.57
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673513	0	29	-1.0	-44.36	268.10	3.49	-40.87
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673513	1	29	-1.0	-44.36	268.16	3.50	-40.86
O=C(OCC1=N[N-]N=N1)C1CC2=CC=CC=C2C(=O)O1	REAL250004673514	0	29	-1.0	-40.69	266.92	5.23	-35.46
O=C(OCC1=NN=N[N-]1)C1CC2=CC=CC=C2C(=O)O1	REAL250004673514	1	29	-1.0	-40.69	266.97	5.24	-35.45
CSCC1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004673515	0	26	-1.0	-42.49	259.20	3.92	-38.57
CSCC1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004673515	1	26	-1.0	-42.50	259.26	3.93	-38.57
O=C(OCC1=N[N-]N=N1)C12CCC(=O)N1CCS2	REAL250004673516	0	28	-1.0	-40.89	259.37	2.46	-38.43
O=C(OCC1=NN=N[N-]1)C12CCC(=O)N1CCS2	REAL250004673516	1	28	-1.0	-40.86	259.42	2.48	-38.38
CC1=NN(CC(C)C)C(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673517	0	34	-1.0	-39.13	313.99	4.97	-34.16
CC1=NN(CC(C)C)C(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673517	1	34	-1.0	-39.13	314.04	4.99	-34.14
O=C(OCC1=N[N-]N=N1)C1=CC2=C(Cl)C=CC=C2S1	REAL250004673518	0	25	-1.0	-40.05	264.30	5.71	-34.34
O=C(OCC1=NN=N[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL250004673518	1	25	-1.0	-40.06	264.36	5.72	-34.34
O=C(OCC1=N[N-]N=N1)C1=CC2=C(F)C=CC=C2S1	REAL250004673519	0	25	-1.0	-40.59	254.80	5.30	-35.29
O=C(OCC1=NN=N[N-]1)C1=CC2=C(F)C=CC=C2S1	REAL250004673519	1	25	-1.0	-40.57	254.86	5.32	-35.25
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)S1	REAL250004673520	0	29	-1.0	-41.07	279.14	6.52	-34.55
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL250004673520	1	29	-1.0	-41.04	279.20	6.54	-34.50
CCOC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673521	0	36	-1.0	-40.29	304.40	3.71	-36.58
CCOC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673521	1	36	-1.0	-40.29	304.47	3.72	-36.57
CC(C)(C)C1=NOC(CCCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004673522	0	38	-1.0	-42.60	328.60	3.35	-39.25
CC(C)(C)C1=NOC(CCCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004673522	1	38	-1.0	-42.63	328.66	3.37	-39.26
CC1=NN(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)CC1	REAL250004673523	0	34	-1.0	-42.74	300.24	5.20	-37.54
CC1=NN(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)CC1	REAL250004673523	1	34	-1.0	-42.71	300.30	5.21	-37.50
CN(C)C(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673524	0	37	-1.0	-41.49	295.85	3.11	-38.38
CN(C)C(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673524	1	37	-1.0	-41.47	295.91	3.13	-38.34
O=C(NC1CC1)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673525	0	38	-1.0	-41.61	315.79	3.55	-38.06
O=C(NC1CC1)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673525	1	38	-1.0	-41.61	315.84	3.57	-38.04
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(=O)NC1=O	REAL250004673526	0	25	-1.0	-51.76	238.52	0.73	-51.03
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(=O)NC1=O	REAL250004673526	1	25	-1.0	-51.74	238.58	0.74	-51.00
CC1=CC=C(C2=NC(C(=O)OCC3=NN=N[N-]3)=CS2)O1	REAL250004673527	0	28	-1.0	-49.86	280.58	3.43	-46.43
CC1=CC=C(C2=NC(C(=O)OCC3=N[N-]N=N3)=CS2)O1	REAL250004673527	1	28	-1.0	-49.84	280.52	3.42	-46.42
CN1C=C(C2=NC(C(=O)OCC3=NN=N[N-]3)=CS2)C=N1	REAL250004673528	0	28	-1.0	-50.37	280.72	2.33	-48.04
CN1C=C(C2=NC(C(=O)OCC3=N[N-]N=N3)=CS2)C=N1	REAL250004673528	1	28	-1.0	-50.37	280.66	2.31	-48.06
O=C(CCC1=CC=C(Cl)S1)OCC1=N[N-]N=N1	REAL250004673529	0	25	-1.0	-36.59	261.08	5.07	-31.52
O=C(CCC1=CC=C(Cl)S1)OCC1=NN=N[N-]1	REAL250004673529	1	25	-1.0	-36.59	261.14	5.09	-31.50
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL250004673530	0	31	-1.0	-48.11	281.97	1.89	-46.22
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL250004673530	1	31	-1.0	-48.12	282.03	1.90	-46.22
CC1=C(C(=O)OCC2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL250004673531	0	31	-1.0	-44.08	274.72	4.27	-39.81
CC1=C(C(=O)OCC2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL250004673531	1	31	-1.0	-44.06	274.78	4.29	-39.77
CN1C2=CC=CC=C2C(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673532	0	29	-1.0	-38.39	275.30	5.81	-32.58
CN1C2=CC=CC=C2C(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673532	1	29	-1.0	-38.39	275.36	5.82	-32.57
O=C(CC1=CC2=CC=CC=C2NC1=O)OCC1=N[N-]N=N1	REAL250004673533	0	31	-1.0	-47.80	282.77	3.63	-44.17
O=C(CC1=CC2=CC=CC=C2NC1=O)OCC1=NN=N[N-]1	REAL250004673533	1	31	-1.0	-47.80	282.83	3.64	-44.16
COC1=CC=C2C(=C1)C=CN2CC(=O)OCC1=N[N-]N=N1	REAL250004673534	0	33	-1.0	-41.69	295.13	5.34	-36.35
COC1=CC=C2C(=C1)C=CN2CC(=O)OCC1=NN=N[N-]1	REAL250004673534	1	33	-1.0	-41.69	295.19	5.35	-36.34
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C(C)C)=N1	REAL250004673535	0	30	-1.0	-37.74	276.65	3.52	-34.22
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C(C)C)=N1	REAL250004673535	1	30	-1.0	-37.73	276.70	3.53	-34.20
CCCC1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673536	0	30	-1.0	-37.56	278.49	3.74	-33.82
CCCC1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673536	1	30	-1.0	-37.57	278.55	3.76	-33.81
O=C(CC1=NN2C=CC=NC2=N1)OCC1=N[N-]N=N1	REAL250004673537	0	26	-1.0	-52.50	249.63	4.48	-48.02
O=C(CC1=NN2C=CC=NC2=N1)OCC1=NN=N[N-]1	REAL250004673537	1	26	-1.0	-52.52	249.69	4.49	-48.03
CC(C)COC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673538	0	38	-1.0	-38.93	325.37	6.28	-32.65
CC(C)COC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673538	1	38	-1.0	-38.90	325.43	6.30	-32.60
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=NOC=N2)C=C1	REAL250004673539	0	27	-1.0	-41.80	260.55	2.39	-39.41
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=NOC=N2)C=C1	REAL250004673539	1	27	-1.0	-41.81	260.50	2.37	-39.44
O=C(CN1N=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673540	0	28	-1.0	-42.96	261.16	4.20	-38.76
O=C(CN1N=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673540	1	28	-1.0	-42.96	261.10	4.18	-38.78
CSC1=C(C(=O)OCC2=N[N-]N=N2)SC=C1	REAL250004673541	0	23	-1.0	-42.46	238.43	3.77	-38.69
CSC1=C(C(=O)OCC2=NN=N[N-]2)SC=C1	REAL250004673541	1	23	-1.0	-42.47	238.49	3.78	-38.69
COC1=CC=CC=C1CC(C)CC(=O)OCC1=N[N-]N=N1	REAL250004673542	0	38	-1.0	-39.47	312.36	6.03	-33.44
COC1=CC=CC=C1CC(C)CC(=O)OCC1=NN=N[N-]1	REAL250004673542	1	38	-1.0	-39.47	312.42	6.04	-33.43
CN(CC(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004673543	0	35	-1.0	-43.13	297.53	3.60	-39.53
CN(CC(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004673543	1	35	-1.0	-43.14	297.58	3.61	-39.53
COC(=O)CSCCC(=O)OCC1=N[N-]N=N1	REAL250004673544	0	28	-1.0	-40.65	272.39	3.73	-36.92
COC(=O)CSCCC(=O)OCC1=NN=N[N-]1	REAL250004673544	1	28	-1.0	-40.63	272.45	3.75	-36.88
O=C(OCC1=N[N-]N=N1)C1CCCN1CC1=CC=CC=C1	REAL250004673545	0	37	-1.0	-40.24	312.50	4.98	-35.26
O=C(OCC1=NN=N[N-]1)C1CCCN1CC1=CC=CC=C1	REAL250004673545	1	37	-1.0	-40.22	312.56	5.00	-35.22
CN(CC(=O)OCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004673546	0	33	-1.0	-38.52	282.89	3.57	-34.95
CN(CC(=O)OCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004673546	1	33	-1.0	-38.50	282.95	3.59	-34.91
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2=COC=C2)=C1	REAL250004673547	0	29	-1.0	-40.46	269.21	5.37	-35.09
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2=COC=C2)=C1	REAL250004673547	1	29	-1.0	-40.48	269.26	5.38	-35.10
O=C(OCC1=NN=N[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL250004673548	0	28	-1.0	-42.82	273.14	1.76	-41.06
O=C(OCC1=N[N-]N=N1)C1=CC=CC(OCC(F)F)=N1	REAL250004673548	1	28	-1.0	-42.85	273.08	1.74	-41.11
COC1=CC=C2C(=C1)OCC2CC(=O)OCC1=N[N-]N=N1	REAL250004673549	0	34	-1.0	-39.30	294.66	3.60	-35.70
COC1=CC=C2C(=C1)OCC2CC(=O)OCC1=NN=N[N-]1	REAL250004673549	1	34	-1.0	-39.27	294.72	3.62	-35.65
CCC(C)N1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1CC1	REAL250004673550	0	38	-1.0	-41.39	319.97	5.54	-35.85
CCC(C)N1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1CC1	REAL250004673550	1	38	-1.0	-41.39	320.02	5.56	-35.83
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2CCCO2)S1	REAL250004673551	0	29	-1.0	-40.47	275.73	2.00	-38.47
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2CCCO2)S1	REAL250004673551	1	29	-1.0	-40.47	275.78	2.01	-38.46
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004673552	0	28	-1.0	-41.19	263.69	3.63	-37.56
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CN=N2)C=C1	REAL250004673552	1	28	-1.0	-41.14	263.63	3.61	-37.53
CC(C)CC1=CC=C(C(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673553	0	40	-1.0	-37.77	330.68	7.74	-30.03
CC(C)CC1=CC=C(C(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673553	1	40	-1.0	-37.80	330.74	7.75	-30.05
O=C(OCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)N=C1	REAL250004673554	0	28	-1.0	-39.25	272.30	1.77	-37.48
O=C(OCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)N=C1	REAL250004673554	1	28	-1.0	-39.28	272.25	1.75	-37.53
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL250004673555	0	31	-1.0	-40.71	280.51	3.56	-37.15
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL250004673555	1	31	-1.0	-40.73	280.57	3.57	-37.16
O=C(CCCC1=CC(F)=CC=C1F)OCC1=N[N-]N=N1	REAL250004673556	0	31	-1.0	-39.25	287.17	6.25	-33.00
O=C(CCCC1=CC(F)=CC=C1F)OCC1=NN=N[N-]1	REAL250004673556	1	31	-1.0	-39.28	287.23	6.27	-33.01
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2CCOC2)=C1	REAL250004673557	0	33	-1.0	-39.34	284.58	4.41	-34.93
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2CCOC2)=C1	REAL250004673557	1	33	-1.0	-39.38	284.64	4.42	-34.96
COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1F	REAL250004673558	0	26	-1.0	-43.28	244.12	3.10	-40.18
COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1F	REAL250004673558	1	26	-1.0	-43.27	244.18	3.11	-40.16
O=C(CSCC(F)(F)F)OCC1=N[N-]N=N1	REAL250004673559	0	22	-1.0	-39.04	235.84	3.32	-35.72
O=C(CSCC(F)(F)F)OCC1=NN=N[N-]1	REAL250004673559	1	22	-1.0	-39.04	235.90	3.33	-35.71
CC1=CN2C(C(=O)OCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004673560	0	28	-1.0	-41.51	255.96	4.84	-36.67
CC1=CN2C(C(=O)OCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004673560	1	28	-1.0	-41.51	255.90	4.83	-36.68
O=C(OCC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2OC1	REAL250004673561	0	28	-1.0	-37.94	261.40	4.32	-33.62
O=C(OCC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL250004673561	1	28	-1.0	-37.92	261.46	4.34	-33.58
O=C(OCC1=N[N-]N=N1)C1COC2=CC=C(F)C=C2C1	REAL250004673562	0	30	-1.0	-35.88	269.86	4.44	-31.44
O=C(OCC1=NN=N[N-]1)C1COC2=CC=C(F)C=C2C1	REAL250004673562	1	30	-1.0	-35.87	269.92	4.46	-31.41
CN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1OC(F)F	REAL250004673563	0	26	-1.0	-45.14	256.17	0.50	-44.64
CN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1OC(F)F	REAL250004673563	1	26	-1.0	-45.14	256.12	0.48	-44.66
CC1=C(CC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004673564	0	31	-1.0	-41.44	281.36	5.73	-35.71
CC1=C(CC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004673564	1	31	-1.0	-41.48	281.42	5.75	-35.73
CCOC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004673565	0	36	-1.0	-39.71	312.88	6.00	-33.71
CCOC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004673565	1	36	-1.0	-39.71	312.94	6.01	-33.70
C[C@H](OCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673566	0	32	-1.0	-39.89	287.14	5.27	-34.62
C[C@H](OCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673566	1	32	-1.0	-39.95	287.20	5.28	-34.67
CCC1=CC(C(=O)OCC2=N[N-]N=N2)=CN(C)C1=O	REAL250004673567	0	31	-1.0	-40.60	277.35	3.99	-36.61
CCC1=CC(C(=O)OCC2=NN=N[N-]2)=CN(C)C1=O	REAL250004673567	1	31	-1.0	-40.61	277.41	4.00	-36.61
O=C(CCC1=CC=CC2=C1OCO2)OCC1=N[N-]N=N1	REAL250004673568	0	31	-1.0	-41.16	279.87	4.02	-37.14
O=C(CCC1=CC=CC2=C1OCO2)OCC1=NN=N[N-]1	REAL250004673568	1	31	-1.0	-41.17	279.93	4.03	-37.14
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673569	0	29	-1.0	-42.68	282.91	-1.95	-44.63
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673569	1	29	-1.0	-42.66	282.86	-1.96	-44.62
O=C(OCC1=NN=N[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004673570	0	28	-1.0	-43.74	270.32	2.09	-41.65
O=C(OCC1=N[N-]N=N1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL250004673570	1	28	-1.0	-43.78	270.26	2.07	-41.71
CC1=C(C)C=C2C(C(=O)OCC3=N[N-]N=N3)=COC2=C1	REAL250004673571	0	31	-1.0	-40.47	276.64	5.34	-35.13
CC1=C(C)C=C2C(C(=O)OCC3=NN=N[N-]3)=COC2=C1	REAL250004673571	1	31	-1.0	-40.45	276.69	5.35	-35.10
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(OC)=C1Cl	REAL250004673572	0	30	-1.0	-39.28	284.14	3.75	-35.53
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(OC)=C1Cl	REAL250004673572	1	30	-1.0	-39.27	284.19	3.76	-35.51
CCCCN1C=C(C(=O)OCC2=N[N-]N=N2)C(C)=N1	REAL250004673573	0	34	-1.0	-38.59	297.25	4.50	-34.09
CCCCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C)=N1	REAL250004673573	1	34	-1.0	-38.61	297.31	4.51	-34.10
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004673574	0	38	-1.0	-36.22	311.14	2.07	-34.15
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004673574	1	38	-1.0	-36.27	311.20	2.09	-34.18
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=NNC=N2)C=C1	REAL250004673575	0	28	-1.0	-43.28	265.32	4.65	-38.63
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL250004673575	1	28	-1.0	-43.27	265.38	4.66	-38.61
O=C(OCC1=N[N-]N=N1)C1=CC(=O)NC(C2CC2)=C1	REAL250004673576	0	29	-1.0	-39.12	264.91	2.94	-36.18
O=C(OCC1=NN=N[N-]1)C1=CC(=O)NC(C2CC2)=C1	REAL250004673576	1	29	-1.0	-39.09	264.97	2.96	-36.13
CC1=CN(C2=CC=CC=C2)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004673577	0	32	-1.0	-48.31	288.26	5.58	-42.73
CC1=CN(C2=CC=CC=C2)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004673577	1	32	-1.0	-48.33	288.20	5.57	-42.76
COC1=CC(C)=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673578	0	29	-1.0	-40.00	271.72	4.16	-35.84
COC1=CC(C)=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673578	1	29	-1.0	-39.98	271.77	4.18	-35.80
O=C(OCC1=N[N-]N=N1)C1CCCCS1(=O)=O	REAL250004673579	0	28	-1.0	-51.11	254.00	0.25	-50.86
O=C(OCC1=NN=N[N-]1)C1CCCCS1(=O)=O	REAL250004673579	1	28	-1.0	-51.07	254.06	0.26	-50.81
O=C(OCC1=N[N-]N=N1)C1=COC(C2CCCCC2)=N1	REAL250004673580	0	34	-1.0	-42.54	293.32	2.37	-40.17
O=C(OCC1=NN=N[N-]1)C1=COC(C2CCCCC2)=N1	REAL250004673580	1	34	-1.0	-42.53	293.38	2.39	-40.14
O=C(OCC1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004673581	0	32	-1.0	-48.42	295.36	5.48	-42.94
O=C(OCC1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250004673581	1	32	-1.0	-48.46	295.30	5.47	-42.99
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL250004673582	0	31	-1.0	-42.74	283.80	5.91	-36.83
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL250004673582	1	31	-1.0	-42.72	283.85	5.93	-36.79
CN1N=C2C=CC=CC2=C1C(=O)OCC1=NN=N[N-]1	REAL250004673583	0	28	-1.0	-38.51	254.11	3.80	-34.71
CN1N=C2C=CC=CC2=C1C(=O)OCC1=N[N-]N=N1	REAL250004673583	1	28	-1.0	-38.50	254.06	3.79	-34.71
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004673584	0	28	-1.0	-38.62	269.56	4.47	-34.15
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004673584	1	28	-1.0	-38.62	269.62	4.48	-34.14
CCOC(=O)C(C)(C)CC(=O)OCC1=N[N-]N=N1	REAL250004673585	0	33	-1.0	-37.31	281.15	4.18	-33.13
CCOC(=O)C(C)(C)CC(=O)OCC1=NN=N[N-]1	REAL250004673585	1	33	-1.0	-37.33	281.21	4.20	-33.13
CN1C=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CN=C21	REAL250004673586	0	27	-1.0	-47.12	253.43	4.41	-42.71
CN1C=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CN=C21	REAL250004673586	1	27	-1.0	-47.12	253.37	4.40	-42.72
CC(CC1=CN=CC2=CC=CC=C21)C(=O)OCC1=N[N-]N=N1	REAL250004673587	0	36	-1.0	-39.68	301.20	5.91	-33.77
CC(CC1=CN=CC2=CC=CC=C21)C(=O)OCC1=NN=N[N-]1	REAL250004673587	1	36	-1.0	-39.66	301.26	5.92	-33.74
CC1=C(C(=O)OCC2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL250004673588	0	28	-1.0	-40.20	269.45	5.79	-34.41
CC1=C(C(=O)OCC2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL250004673588	1	28	-1.0	-40.19	269.51	5.81	-34.38
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OC1CC1	REAL250004673589	0	30	-1.0	-44.88	268.66	5.50	-39.38
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OC1CC1	REAL250004673589	1	30	-1.0	-44.84	268.71	5.51	-39.33
CC(C)(C)C1=NC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673590	0	32	-1.0	-36.11	282.18	3.77	-32.34
CC(C)(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673590	1	32	-1.0	-36.11	282.12	3.76	-32.35
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CN=C2)CCCC1	REAL250004673591	0	34	-1.0	-39.29	282.62	4.89	-34.40
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CN=C2)CCCC1	REAL250004673591	1	34	-1.0	-39.24	282.68	4.91	-34.33
O=C(OCC1=NN=N[N-]1)C1=NC=CC=C1Br	REAL250004673592	0	21	-1.0	-44.29	222.38	2.48	-41.81
O=C(OCC1=N[N-]N=N1)C1=NC=CC=C1Br	REAL250004673592	1	21	-1.0	-44.29	222.33	2.47	-41.82
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL250004673593	0	24	-1.0	-35.28	244.18	2.99	-32.29
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL250004673593	1	24	-1.0	-35.30	244.12	2.97	-32.33
CC1=C2SC(C(=O)OCC3=N[N-]N=N3)=CC2=CC=C1	REAL250004673594	0	28	-1.0	-41.31	268.71	5.87	-35.44
CC1=C2SC(C(=O)OCC3=NN=N[N-]3)=CC2=CC=C1	REAL250004673594	1	28	-1.0	-41.34	268.77	5.89	-35.45
O=C(OCC1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL250004673595	0	24	-1.0	-35.12	245.99	3.15	-31.97
O=C(OCC1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL250004673595	1	24	-1.0	-35.16	245.93	3.14	-32.02
O=C(CCSC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004673596	0	29	-1.0	-36.64	289.34	6.33	-30.31
O=C(CCSC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004673596	1	29	-1.0	-36.62	289.40	6.35	-30.27
O=C(OCC1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)C2	REAL250004673597	0	26	-1.0	-35.67	250.53	4.48	-31.19
O=C(OCC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)C2	REAL250004673597	1	26	-1.0	-35.69	250.59	4.48	-31.21
CC1=NC(Cl)=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004673598	0	27	-1.0	-39.34	261.10	3.70	-35.64
CC1=NC(Cl)=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004673598	1	27	-1.0	-39.32	261.16	3.71	-35.61
C[Si](C)(C)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673599	0	37	-1.0	-40.32	325.27	9.06	-31.26
C[Si](C)(C)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673599	1	37	-1.0	-40.34	325.33	9.07	-31.27
CC(C)(C)OC(=O)C(C)(C)C(=O)OCC1=N[N-]N=N1	REAL250004673600	0	36	-1.0	-40.48	299.70	5.17	-35.31
CC(C)(C)OC(=O)C(C)(C)C(=O)OCC1=NN=N[N-]1	REAL250004673600	1	36	-1.0	-40.45	299.76	5.18	-35.27
CC(C)C(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004673601	0	39	-1.0	-39.98	310.59	5.95	-34.03
CC(C)C(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004673601	1	39	-1.0	-39.97	310.65	5.96	-34.01
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004673602	0	25	-1.0	-42.01	264.78	5.74	-36.27
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL250004673602	1	25	-1.0	-42.04	264.83	5.75	-36.29
O=C(CC1=C2C=CC=CN2N=C1)OCC1=NN=N[N-]1	REAL250004673603	0	28	-1.0	-43.98	260.21	4.37	-39.61
O=C(CC1=C2C=CC=CN2N=C1)OCC1=N[N-]N=N1	REAL250004673603	1	28	-1.0	-44.02	260.16	4.35	-39.67
CC1CCN2N=CC(C(=O)OCC3=N[N-]N=N3)=C2C1	REAL250004673604	0	32	-1.0	-41.19	274.42	3.78	-37.41
CC1CCN2N=CC(C(=O)OCC3=NN=N[N-]3)=C2C1	REAL250004673604	1	32	-1.0	-41.13	274.48	3.80	-37.33
O=C(CC1=CC=C2OCCCC2=C1)OCC1=N[N-]N=N1	REAL250004673605	0	33	-1.0	-40.16	286.12	5.19	-34.97
O=C(CC1=CC=C2OCCCC2=C1)OCC1=NN=N[N-]1	REAL250004673605	1	33	-1.0	-40.15	286.17	5.21	-34.94
CSC1=CC=C(CCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673606	0	35	-1.0	-39.76	315.52	7.17	-32.59
CSC1=CC=C(CCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673606	1	35	-1.0	-39.72	315.58	7.19	-32.53
O=C(CN1N=NN=C1C1=CSC=C1)OCC1=N[N-]N=N1	REAL250004673607	0	27	-1.0	-40.68	266.49	2.58	-38.10
O=C(CN1N=NN=C1C1=CSC=C1)OCC1=NN=N[N-]1	REAL250004673607	1	27	-1.0	-40.63	266.55	2.60	-38.03
O=C(OCC1=N[N-]N=N1)C1=COC2=CC=C(F)C=C12	REAL250004673608	0	25	-1.0	-39.89	244.72	4.20	-35.69
O=C(OCC1=NN=N[N-]1)C1=COC2=CC=C(F)C=C12	REAL250004673608	1	25	-1.0	-39.92	244.78	4.21	-35.71
CC(C)CN1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673609	0	31	-1.0	-36.37	270.84	4.00	-32.37
CC(C)CN1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673609	1	31	-1.0	-36.38	270.79	3.99	-32.39
CCOC(=O)C1CCC(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004673610	0	40	-1.0	-40.35	328.77	6.32	-34.03
CCOC(=O)C1CCC(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004673610	1	40	-1.0	-40.35	328.83	6.33	-34.02
O=C(OCC1=N[N-]N=N1)C1CCCCC1C1CC1	REAL250004673611	0	35	-1.0	-36.96	280.16	5.95	-31.01
O=C(OCC1=NN=N[N-]1)C1CCCCC1C1CC1	REAL250004673611	1	35	-1.0	-36.97	280.21	5.96	-31.01
CN1N=C(C2CC2)N=C1CC(=O)OCC1=N[N-]N=N1	REAL250004673612	0	31	-1.0	-43.17	280.98	4.01	-39.16
CN1N=C(C2CC2)N=C1CC(=O)OCC1=NN=N[N-]1	REAL250004673612	1	31	-1.0	-43.16	281.04	4.02	-39.14
O=C(OCC1=N[N-]N=N1)C1CCC2=NC=NC=C2C1	REAL250004673613	0	30	-1.0	-37.74	262.42	4.21	-33.53
O=C(OCC1=NN=N[N-]1)C1CCC2=NC=NC=C2C1	REAL250004673613	1	30	-1.0	-37.72	262.48	4.23	-33.49
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2F)CCC1	REAL250004673614	0	32	-1.0	-40.21	280.47	6.23	-33.98
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250004673614	1	32	-1.0	-40.17	280.52	6.24	-33.93
CC(C)(C)OC(=O)CCCC(=O)OCC1=N[N-]N=N1	REAL250004673615	0	36	-1.0	-42.34	304.27	5.18	-37.16
CC(C)(C)OC(=O)CCCC(=O)OCC1=NN=N[N-]1	REAL250004673615	1	36	-1.0	-42.36	304.33	5.19	-37.17
O=C(CN1C=CC2=CC=C(F)C=C21)OCC1=N[N-]N=N1	REAL250004673616	0	29	-1.0	-41.40	271.98	6.11	-35.29
O=C(CN1C=CC2=CC=C(F)C=C21)OCC1=NN=N[N-]1	REAL250004673616	1	29	-1.0	-41.39	272.04	6.13	-35.26
O=C(OCC1=N[N-]N=N1)C1=NN2CCOCC2=C1	REAL250004673617	0	27	-1.0	-45.30	246.72	0.84	-44.46
O=C(OCC1=NN=N[N-]1)C1=NN2CCOCC2=C1	REAL250004673617	1	27	-1.0	-45.30	246.78	0.85	-44.45
CC(C)=CCCC(C)CC(=O)OCC1=N[N-]N=N1	REAL250004673618	0	37	-1.0	-36.93	302.40	6.28	-30.65
CC(C)=CCCC(C)CC(=O)OCC1=NN=N[N-]1	REAL250004673618	1	37	-1.0	-36.96	302.46	6.29	-30.67
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL250004673619	0	27	-1.0	-42.37	246.85	4.12	-38.25
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL250004673619	1	27	-1.0	-42.34	246.80	4.10	-38.24
CN1CCC(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004673620	0	34	-1.0	-40.54	278.40	4.24	-36.30
CN1CCC(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004673620	1	34	-1.0	-40.52	278.45	4.25	-36.27
CN1CCOC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004673621	0	32	-1.0	-39.68	276.15	2.37	-37.31
CN1CCOC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004673621	1	32	-1.0	-39.71	276.21	2.39	-37.32
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CCC#N	REAL250004673622	0	29	-1.0	-44.00	272.80	3.35	-40.65
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CCC#N	REAL250004673622	1	29	-1.0	-44.00	272.86	3.36	-40.64
O=C(CC1NC(=O)C2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673623	0	30	-1.0	-43.71	272.09	2.29	-41.42
O=C(CC1NC(=O)C2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673623	1	30	-1.0	-43.68	272.15	2.30	-41.38
O=C(OCC1=NN=N[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004673624	0	30	-1.0	-54.74	274.58	4.37	-50.37
O=C(OCC1=N[N-]N=N1)C1=NC=CC=C1C1=CC=CC=N1	REAL250004673624	1	30	-1.0	-54.76	274.52	4.36	-50.40
O=C(CCC1CCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673625	0	35	-1.0	-38.34	294.43	7.03	-31.31
O=C(CCC1CCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673625	1	35	-1.0	-38.32	294.49	7.05	-31.27
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL250004673626	0	24	-1.0	-40.71	245.13	2.97	-37.74
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=N1	REAL250004673626	1	24	-1.0	-40.70	245.08	2.96	-37.74
CC1(C)COC(CCC(=O)OCC2=N[N-]N=N2)C1	REAL250004673627	0	35	-1.0	-38.14	290.79	3.79	-34.35
CC1(C)COC(CCC(=O)OCC2=NN=N[N-]2)C1	REAL250004673627	1	35	-1.0	-38.14	290.85	3.80	-34.34
CC(C)(CC(=O)OCC1=N[N-]N=N1)CC(F)(F)F	REAL250004673628	0	30	-1.0	-38.12	253.95	4.08	-34.04
CC(C)(CC(=O)OCC1=NN=N[N-]1)CC(F)(F)F	REAL250004673628	1	30	-1.0	-38.12	254.01	4.09	-34.03
COC1=CC=C2CC(C(=O)OCC3=N[N-]N=N3)CCC2=C1	REAL250004673629	0	36	-1.0	-38.35	302.17	5.53	-32.82
COC1=CC=C2CC(C(=O)OCC3=NN=N[N-]3)CCC2=C1	REAL250004673629	1	36	-1.0	-38.34	302.23	5.54	-32.80
CC(C)(C)C12CC(C(=O)OCC3=N[N-]N=N3)(C1)C2	REAL250004673630	0	35	-1.0	-37.41	293.31	5.95	-31.46
CC(C)(C)C12CC(C(=O)OCC3=NN=N[N-]3)(C1)C2	REAL250004673630	1	35	-1.0	-37.46	293.37	5.97	-31.49
CC1(C)CCC(CC(=O)OCC2=N[N-]N=N2)OC1	REAL250004673631	0	35	-1.0	-39.14	283.31	4.27	-34.87
CC1(C)CCC(CC(=O)OCC2=NN=N[N-]2)OC1	REAL250004673631	1	35	-1.0	-39.12	283.36	4.29	-34.83
O=C(CN1CCCCS1(=O)=O)OCC1=N[N-]N=N1	REAL250004673632	0	30	-1.0	-49.92	269.90	0.28	-49.64
O=C(CN1CCCCS1(=O)=O)OCC1=NN=N[N-]1	REAL250004673632	1	30	-1.0	-49.87	269.96	0.29	-49.58
O=C(OCC1=N[N-]N=N1)C1CCOC2=C(F)C=CC=C21	REAL250004673633	0	30	-1.0	-37.68	263.99	4.39	-33.29
O=C(OCC1=NN=N[N-]1)C1CCOC2=C(F)C=CC=C21	REAL250004673633	1	30	-1.0	-37.69	264.05	4.40	-33.29
CS(=O)(=O)C1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673634	0	34	-1.0	-51.03	287.41	1.26	-49.77
CS(=O)(=O)C1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673634	1	34	-1.0	-51.00	287.46	1.28	-49.72
O=C(C=CC1=CC=C2OCOC2=C1)OCC1=N[N-]N=N1	REAL250004673635	0	29	-1.0	-40.30	267.60	3.69	-36.61
O=C(C=CC1=CC=C2OCOC2=C1)OCC1=NN=N[N-]1	REAL250004673635	1	29	-1.0	-40.32	267.66	3.71	-36.61
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004673636	0	31	-1.0	-40.25	274.02	5.48	-34.77
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004673636	1	31	-1.0	-40.24	274.07	5.49	-34.75
CCCCC1=NC(C)=C(CC(=O)OCC2=N[N-]N=N2)S1	REAL250004673637	0	36	-1.0	-38.81	323.14	5.38	-33.43
CCCCC1=NC(C)=C(CC(=O)OCC2=NN=N[N-]2)S1	REAL250004673637	1	36	-1.0	-38.77	323.20	5.39	-33.38
CC1=C(CC(=O)OCC2=N[N-]N=N2)SC(C2CCC2)=N1	REAL250004673638	0	34	-1.0	-39.14	306.54	5.21	-33.93
CC1=C(CC(=O)OCC2=NN=N[N-]2)SC(C2CCC2)=N1	REAL250004673638	1	34	-1.0	-39.14	306.60	5.23	-33.91
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004673639	0	33	-1.0	-46.29	293.61	3.29	-43.00
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL250004673639	1	33	-1.0	-46.30	293.66	3.30	-43.00
CC1=NC(C(C)C)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673640	0	32	-1.0	-35.96	279.98	3.49	-32.47
CC1=NC(C(C)C)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673640	1	32	-1.0	-35.97	280.04	3.51	-32.46
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004673641	0	32	-1.0	-43.62	266.28	1.08	-42.54
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL250004673641	1	32	-1.0	-43.59	266.34	1.09	-42.50
O=C(OCC1=N[N-]N=N1)C1CCC2=NN=CN2CC1	REAL250004673642	0	31	-1.0	-45.93	263.69	5.31	-40.62
O=C(OCC1=NN=N[N-]1)C1CCC2=NN=CN2CC1	REAL250004673642	1	31	-1.0	-45.92	263.74	5.32	-40.60
CC(=O)N(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673643	0	32	-1.0	-44.32	284.06	4.74	-39.58
CC(=O)N(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673643	1	32	-1.0	-44.32	284.12	4.76	-39.56
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)O1	REAL250004673644	0	35	-1.0	-42.49	302.47	1.19	-41.30
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL250004673644	1	35	-1.0	-42.50	302.53	1.21	-41.29
O=C(OCC1=NN=N[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004673645	0	30	-1.0	-63.23	283.14	-1.84	-65.07
O=C(OCC1=N[N-]N=N1)C1=CN(CC2CNC(=O)O2)N=N1	REAL250004673645	1	30	-1.0	-63.23	283.09	-1.85	-65.08
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=NC=CN2)=N1	REAL250004673646	0	25	-1.0	-54.72	257.71	1.28	-53.44
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL250004673646	1	25	-1.0	-54.71	257.77	1.30	-53.41
CS(=O)(=O)C1=C(C(=O)OCC2=N[N-]N=N2)C=CS1	REAL250004673647	0	25	-1.0	-44.42	254.12	0.88	-43.54
CS(=O)(=O)C1=C(C(=O)OCC2=NN=N[N-]2)C=CS1	REAL250004673647	1	25	-1.0	-44.38	254.18	0.90	-43.48
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CSC=C2)=NO1	REAL250004673648	0	28	-1.0	-39.32	278.76	4.64	-34.68
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CSC=C2)=NO1	REAL250004673648	1	28	-1.0	-39.31	278.70	4.62	-34.69
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCC2)N=C1	REAL250004673649	0	31	-1.0	-39.15	271.08	4.52	-34.63
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCC2)N=C1	REAL250004673649	1	31	-1.0	-39.12	271.14	4.54	-34.58
CC1=CN2C=C(C(=O)OCC3=N[N-]N=N3)SC2=N1	REAL250004673650	0	25	-1.0	-40.84	251.05	4.31	-36.53
CC1=CN2C=C(C(=O)OCC3=NN=N[N-]3)SC2=N1	REAL250004673650	1	25	-1.0	-40.83	251.10	4.33	-36.50
CCC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004673651	0	31	-1.0	-36.51	285.78	6.22	-30.29
CCC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004673651	1	31	-1.0	-36.49	285.83	6.24	-30.25
CC1=CC=C2SC(C(=O)OCC3=N[N-]N=N3)CC2=C1	REAL250004673652	0	30	-1.0	-39.06	276.75	6.10	-32.96
CC1=CC=C2SC(C(=O)OCC3=NN=N[N-]3)CC2=C1	REAL250004673652	1	30	-1.0	-39.03	276.81	6.12	-32.91
O=C(CC1=CC=C(C2CCC2)C=C1)OCC1=N[N-]N=N1	REAL250004673653	0	35	-1.0	-38.15	298.18	7.15	-31.00
O=C(CC1=CC=C(C2CCC2)C=C1)OCC1=NN=N[N-]1	REAL250004673653	1	35	-1.0	-38.17	298.23	7.16	-31.01
CC1=CC(C2CC2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673654	0	31	-1.0	-39.46	271.26	4.59	-34.87
CC1=CC(C2CC2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673654	1	31	-1.0	-39.46	271.32	4.61	-34.85
O=C(OCC1=N[N-]N=N1)C1=CC=C2CNC(=O)NC2=C1	REAL250004673655	0	29	-1.0	-42.35	264.59	0.84	-41.51
O=C(OCC1=NN=N[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250004673655	1	29	-1.0	-42.32	264.64	0.85	-41.47
O=C(OCC1=NN=N[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004673656	0	35	-1.0	-42.64	296.26	5.64	-37.00
O=C(OCC1=N[N-]N=N1)C1C2CC1(C1=CC=CC=N1)CC2	REAL250004673656	1	35	-1.0	-42.64	296.21	5.63	-37.01
CC1=CC=C(C(C)CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673657	0	34	-1.0	-37.22	288.67	6.39	-30.83
CC1=CC=C(C(C)CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673657	1	34	-1.0	-37.21	288.73	6.41	-30.80
CN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004673658	0	25	-1.0	-39.73	249.81	2.38	-37.35
CN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004673658	1	25	-1.0	-39.71	249.75	2.37	-37.34
O=C(OCC1=NN=N[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250004673659	0	26	-1.0	-40.36	254.63	3.23	-37.13
O=C(OCC1=N[N-]N=N1)C1=CN(C2CC2(F)F)N=C1	REAL250004673659	1	26	-1.0	-40.38	254.57	3.22	-37.16
CN1N=NC2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C21	REAL250004673660	0	27	-1.0	-39.32	247.62	2.00	-37.32
CN1N=NC2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C21	REAL250004673660	1	27	-1.0	-39.32	247.57	1.98	-37.34
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2CCOC2)S1	REAL250004673661	0	29	-1.0	-38.73	274.30	1.82	-36.91
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2CCOC2)S1	REAL250004673661	1	29	-1.0	-38.71	274.36	1.84	-36.87
COC(C(=O)OCC1=N[N-]N=N1)C1CCCOC1	REAL250004673662	0	33	-1.0	-40.00	274.69	2.26	-37.74
COC(C(=O)OCC1=NN=N[N-]1)C1CCCOC1	REAL250004673662	1	33	-1.0	-39.98	274.75	2.27	-37.71
O=C(OCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004673663	0	36	-1.0	-39.87	298.96	7.36	-32.51
O=C(OCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250004673663	1	36	-1.0	-39.83	299.02	7.36	-32.47
CN1C=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673664	0	29	-1.0	-42.55	263.91	5.52	-37.03
CN1C=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673664	1	29	-1.0	-42.58	263.97	5.54	-37.04
O=C(OCC1=N[N-]N=N1)C1=C(F)C=C2OC=CC2=C1	REAL250004673665	0	25	-1.0	-40.33	242.15	4.14	-36.19
O=C(OCC1=NN=N[N-]1)C1=C(F)C=C2OC=CC2=C1	REAL250004673665	1	25	-1.0	-40.35	242.21	4.15	-36.20
COC1=CC=C2C=C(C(=O)OCC3=N[N-]N=N3)N(C)C2=C1	REAL250004673666	0	33	-1.0	-39.77	290.34	4.66	-35.11
COC1=CC=C2C=C(C(=O)OCC3=NN=N[N-]3)N(C)C2=C1	REAL250004673666	1	33	-1.0	-39.74	290.40	4.68	-35.06
COC1=CC=C2C(CC(=O)OCC3=N[N-]N=N3)=CNC2=C1	REAL250004673667	0	33	-1.0	-42.53	293.75	3.91	-38.62
COC1=CC=C2C(CC(=O)OCC3=NN=N[N-]3)=CNC2=C1	REAL250004673667	1	33	-1.0	-42.53	293.80	3.92	-38.61
CC1=CC(C)=C2C=C(C(=O)OCC3=N[N-]N=N3)SC2=N1	REAL250004673668	0	30	-1.0	-43.32	284.44	4.54	-38.78
CC1=CC(C)=C2C=C(C(=O)OCC3=NN=N[N-]3)SC2=N1	REAL250004673668	1	30	-1.0	-43.32	284.50	4.56	-38.76
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004673669	0	26	-1.0	-38.61	255.92	3.43	-35.18
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL250004673669	1	26	-1.0	-38.62	255.97	3.44	-35.18
O=C(OCC1=N[N-]N=N1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004673670	0	35	-1.0	-43.24	293.79	5.53	-37.71
O=C(OCC1=NN=N[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL250004673670	1	35	-1.0	-43.18	293.84	5.55	-37.63
COCC1(CC(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004673671	0	35	-1.0	-37.39	282.05	3.70	-33.69
COCC1(CC(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004673671	1	35	-1.0	-37.40	282.11	3.71	-33.69
CC(C)(C)C1=CN=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673672	0	33	-1.0	-37.59	294.49	4.62	-32.97
CC(C)(C)C1=CN=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673672	1	33	-1.0	-37.58	294.43	4.61	-32.97
CC1(C)OC(=O)C2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673673	0	32	-1.0	-42.10	290.54	5.47	-36.63
CC1(C)OC(=O)C2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673673	1	32	-1.0	-42.06	290.59	5.48	-36.58
NC(=O)NC1=CC=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673674	0	28	-1.0	-53.03	272.11	0.23	-52.80
NC(=O)NC1=CC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673674	1	28	-1.0	-53.04	272.17	0.25	-52.79
CC(OC1=CC=C(C#N)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673675	0	30	-1.0	-39.34	279.92	5.03	-34.31
CC(OC1=CC=C(C#N)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673675	1	30	-1.0	-39.36	279.97	5.05	-34.31
O=C(CCN1C=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673676	0	32	-1.0	-38.72	286.62	6.56	-32.16
O=C(CCN1C=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673676	1	32	-1.0	-38.74	286.68	6.57	-32.17
CCOC1=CC=CC=C1C=CC(=O)OCC1=N[N-]N=N1	REAL250004673677	0	33	-1.0	-41.81	291.78	5.32	-36.49
CCOC1=CC=CC=C1C=CC(=O)OCC1=NN=N[N-]1	REAL250004673677	1	33	-1.0	-41.78	291.83	5.34	-36.44
O=C(C=CC1=CC=C(F)C(Cl)=C1)OCC1=N[N-]N=N1	REAL250004673678	0	26	-1.0	-39.64	264.75	5.59	-34.05
O=C(C=CC1=CC=C(F)C(Cl)=C1)OCC1=NN=N[N-]1	REAL250004673678	1	26	-1.0	-39.61	264.81	5.61	-34.00
CC(C)COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673679	0	35	-1.0	-39.42	303.21	5.50	-33.92
CC(C)COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673679	1	35	-1.0	-39.41	303.27	5.52	-33.89
CC(OC1=CC=CC(Cl)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673680	0	29	-1.0	-37.66	275.84	5.16	-32.50
CC(OC1=CC=CC(Cl)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673680	1	29	-1.0	-37.68	275.89	5.18	-32.50
O=C(C=CC1=C(Cl)C=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004673681	0	26	-1.0	-40.13	273.01	5.95	-34.18
O=C(C=CC1=C(Cl)C=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004673681	1	26	-1.0	-40.12	273.07	5.96	-34.16
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N1C(C)C	REAL250004673682	0	35	-1.0	-44.38	286.70	5.47	-38.91
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N1C(C)C	REAL250004673682	1	35	-1.0	-44.39	286.76	5.48	-38.91
CC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673683	0	32	-1.0	-41.73	270.02	2.95	-38.78
CC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673683	1	32	-1.0	-41.76	270.08	2.97	-38.79
CC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673684	0	29	-1.0	-38.07	277.59	6.12	-31.95
CC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673684	1	29	-1.0	-38.10	277.65	6.14	-31.96
CC1=NN(C2=CC=CC=C2)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004673685	0	31	-1.0	-42.68	285.58	3.94	-38.74
CC1=NN(C2=CC=CC=C2)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004673685	1	31	-1.0	-42.70	285.64	3.96	-38.74
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)OCC1=N[N-]N=N1	REAL250004673686	0	35	-1.0	-40.12	314.07	7.24	-32.88
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)OCC1=NN=N[N-]1	REAL250004673686	1	35	-1.0	-40.08	314.12	7.25	-32.83
CC1=CC=CC2=NC(C(=O)OCC3=NN=N[N-]3)=CN21	REAL250004673687	0	28	-1.0	-49.82	258.88	4.75	-45.07
CC1=CC=CC2=NC(C(=O)OCC3=N[N-]N=N3)=CN21	REAL250004673687	1	28	-1.0	-49.83	258.82	4.73	-45.10
NC(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673688	0	28	-1.0	-49.91	259.30	-0.13	-50.04
NC(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673688	1	28	-1.0	-49.87	259.36	-0.11	-49.98
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL250004673689	0	38	-1.0	-38.32	312.06	7.58	-30.74
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL250004673689	1	38	-1.0	-38.32	312.12	7.59	-30.73
O=C(CC1=CC=C2CCCCC2=C1)OCC1=N[N-]N=N1	REAL250004673690	0	35	-1.0	-38.78	295.11	7.05	-31.73
O=C(CC1=CC=C2CCCCC2=C1)OCC1=NN=N[N-]1	REAL250004673690	1	35	-1.0	-38.76	295.17	7.07	-31.69
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1SC(F)F	REAL250004673691	0	26	-1.0	-39.85	254.33	4.87	-34.98
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1SC(F)F	REAL250004673691	1	26	-1.0	-39.84	254.39	4.88	-34.96
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)N=C1	REAL250004673692	0	28	-1.0	-42.39	267.45	3.46	-38.93
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)N=C1	REAL250004673692	1	28	-1.0	-42.40	267.39	3.45	-38.95
CC(C)(OC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673693	0	32	-1.0	-37.41	276.58	4.98	-32.43
CC(C)(OC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673693	1	32	-1.0	-37.40	276.64	5.00	-32.40
NC(=O)NCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673694	0	31	-1.0	-43.15	285.39	-0.00	-43.15
NC(=O)NCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673694	1	31	-1.0	-43.13	285.45	0.02	-43.11
O=C(OCC1=N[N-]N=N1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL250004673695	0	33	-1.0	-48.76	297.46	4.26	-44.50
O=C(OCC1=NN=N[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL250004673695	1	33	-1.0	-48.77	297.52	4.27	-44.50
COC1=CC=C(OC)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673696	0	30	-1.0	-45.74	267.06	3.12	-42.62
COC1=CC=C(OC)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673696	1	30	-1.0	-45.80	267.11	3.14	-42.66
CC(C)CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673697	0	34	-1.0	-38.73	291.45	6.47	-32.26
CC(C)CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673697	1	34	-1.0	-38.75	291.51	6.48	-32.27
CSC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673698	0	26	-1.0	-37.94	250.25	4.78	-33.16
CSC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673698	1	26	-1.0	-37.95	250.31	4.79	-33.16
CC1=CC=C(SCCC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004673699	0	35	-1.0	-37.93	311.00	7.03	-30.90
CC1=CC=C(SCCC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004673699	1	35	-1.0	-37.95	311.06	7.04	-30.91
O=C(OCC1=N[N-]N=N1)C1CC(=O)N(C2CCCC2)C1	REAL250004673700	0	36	-1.0	-40.01	295.77	4.25	-35.76
O=C(OCC1=NN=N[N-]1)C1CC(=O)N(C2CCCC2)C1	REAL250004673700	1	36	-1.0	-40.00	295.83	4.26	-35.74
CC(C)OCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673701	0	35	-1.0	-39.58	307.47	5.23	-34.35
CC(C)OCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673701	1	35	-1.0	-39.56	307.52	5.25	-34.31
O=C(CSCC1=CC=CS1)OCC1=N[N-]N=N1	REAL250004673702	0	26	-1.0	-38.93	267.07	5.01	-33.92
O=C(CSCC1=CC=CS1)OCC1=NN=N[N-]1	REAL250004673702	1	26	-1.0	-38.91	267.12	5.02	-33.89
CCOC1=CC=C(SCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673703	0	33	-1.0	-37.97	302.26	5.23	-32.74
CCOC1=CC=C(SCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673703	1	33	-1.0	-37.98	302.32	5.24	-32.74
CC1=CC=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)S1	REAL250004673704	0	30	-1.0	-39.79	286.72	5.10	-34.69
CC1=CC=C(C(=O)CCC(=O)OCC2=NN=N[N-]2)S1	REAL250004673704	1	30	-1.0	-39.83	286.77	5.11	-34.72
CC1=CC=C(C2=CC(C(=O)OCC3=N[N-]N=N3)=NN2)O1	REAL250004673705	0	29	-1.0	-43.01	275.92	2.75	-40.26
CC1=CC=C(C2=CC(C(=O)OCC3=NN=N[N-]3)=NN2)O1	REAL250004673705	1	29	-1.0	-43.01	275.98	2.77	-40.24
CC1=NN(C(C)CC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004673706	0	34	-1.0	-38.84	293.02	4.17	-34.67
CC1=NN(C(C)CC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004673706	1	34	-1.0	-38.82	293.07	4.19	-34.63
O=C(OCC1=N[N-]N=N1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004673707	0	27	-1.0	-39.00	267.76	4.96	-34.04
O=C(OCC1=NN=N[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL250004673707	1	27	-1.0	-39.00	267.81	4.98	-34.02
CC1=CC(C2(C(=O)OCC3=N[N-]N=N3)CC2)=CC(C)=C1	REAL250004673708	0	35	-1.0	-41.96	296.63	7.07	-34.89
CC1=CC(C2(C(=O)OCC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL250004673708	1	35	-1.0	-41.96	296.68	7.08	-34.88
O=C(CC1=NN(C2=CC=CC=C2)N=C1)OCC1=N[N-]N=N1	REAL250004673709	0	31	-1.0	-45.79	286.09	4.37	-41.42
O=C(CC1=NN(C2=CC=CC=C2)N=C1)OCC1=NN=N[N-]1	REAL250004673709	1	31	-1.0	-45.79	286.15	4.38	-41.41
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C(C)(C)C	REAL250004673710	0	34	-1.0	-46.71	285.70	3.85	-42.86
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C(C)(C)C	REAL250004673710	1	34	-1.0	-46.69	285.76	3.87	-42.82
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C(C)(C)C	REAL250004673711	0	37	-1.0	-41.75	299.45	4.31	-37.44
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C(C)(C)C	REAL250004673711	1	37	-1.0	-41.76	299.51	4.33	-37.43
CC1=C(C(=O)OCC2=N[N-]N=N2)OC(Br)=C1	REAL250004673712	0	22	-1.0	-39.27	231.88	3.19	-36.08
CC1=C(C(=O)OCC2=NN=N[N-]2)OC(Br)=C1	REAL250004673712	1	22	-1.0	-39.27	231.94	3.20	-36.07
O=C(CC1CCCC(C(F)(F)F)C1)OCC1=N[N-]N=N1	REAL250004673713	0	34	-1.0	-37.06	289.65	5.67	-31.39
O=C(CC1CCCC(C(F)(F)F)C1)OCC1=NN=N[N-]1	REAL250004673713	1	34	-1.0	-37.05	289.71	5.68	-31.37
O=C(CN1C=C(Br)C=N1)OCC1=NN=N[N-]1	REAL250004673714	0	22	-1.0	-41.32	234.38	2.61	-38.71
O=C(CN1C=C(Br)C=N1)OCC1=N[N-]N=N1	REAL250004673714	1	22	-1.0	-41.30	234.33	2.59	-38.71
COC1=CC=C(Cl)C=C1C=CC(=O)OCC1=N[N-]N=N1	REAL250004673715	0	30	-1.0	-41.16	286.64	4.92	-36.24
COC1=CC=C(Cl)C=C1C=CC(=O)OCC1=NN=N[N-]1	REAL250004673715	1	30	-1.0	-41.15	286.70	4.93	-36.22
CC(C)SC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673716	0	32	-1.0	-37.48	287.98	6.16	-31.32
CC(C)SC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673716	1	32	-1.0	-37.51	288.04	6.18	-31.33
CC1=NN2C(=C1C(=O)OCC1=N[N-]N=N1)N=C(C)C=C2C	REAL250004673717	0	33	-1.0	-51.18	299.11	4.54	-46.64
CC1=NN2C(=C1C(=O)OCC1=NN=N[N-]1)N=C(C)C=C2C	REAL250004673717	1	33	-1.0	-51.17	299.17	4.56	-46.61
CC(C)(C)N1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C1CC1	REAL250004673718	0	38	-1.0	-46.01	316.66	5.30	-40.71
CC(C)(C)N1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C1CC1	REAL250004673718	1	38	-1.0	-46.05	316.72	5.31	-40.74
CC(SC1=CC=CC=C1Cl)C(=O)OCC1=N[N-]N=N1	REAL250004673719	0	29	-1.0	-38.53	282.39	6.00	-32.53
CC(SC1=CC=CC=C1Cl)C(=O)OCC1=NN=N[N-]1	REAL250004673719	1	29	-1.0	-38.53	282.45	6.02	-32.51
COC1=CC=C(SC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673720	0	33	-1.0	-38.76	304.18	5.10	-33.66
COC1=CC=C(SC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673720	1	33	-1.0	-38.76	304.24	5.11	-33.65
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(C)=C1OC(F)F	REAL250004673721	0	32	-1.0	-39.92	287.44	4.75	-35.17
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL250004673721	1	32	-1.0	-39.89	287.50	4.76	-35.13
O=C(OCC1=N[N-]N=N1)C1CC1C1=CC=CC2=CC=CC=C21	REAL250004673722	0	35	-1.0	-40.45	302.92	8.05	-32.40
O=C(OCC1=NN=N[N-]1)C1CC1C1=CC=CC2=CC=CC=C21	REAL250004673722	1	35	-1.0	-40.41	302.97	8.06	-32.35
COC1=CC=C(C(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673723	0	32	-1.0	-38.74	278.98	4.35	-34.39
COC1=CC=C(C(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673723	1	32	-1.0	-38.77	279.04	4.36	-34.41
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004673724	0	26	-1.0	-38.47	252.21	3.48	-34.99
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004673724	1	26	-1.0	-38.49	252.26	3.50	-34.99
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=COC=C2)=N1	REAL250004673725	0	25	-1.0	-44.66	259.18	2.57	-42.09
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=COC=C2)=N1	REAL250004673725	1	25	-1.0	-44.67	259.12	2.55	-42.12
COC(=O)NC(C(=O)OCC1=N[N-]N=N1)C(C)C	REAL250004673726	0	32	-1.0	-36.32	271.04	0.69	-35.63
COC(=O)NC(C(=O)OCC1=NN=N[N-]1)C(C)C	REAL250004673726	1	32	-1.0	-36.35	271.09	0.70	-35.65
O=C(CC1CCCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673727	0	35	-1.0	-37.51	286.70	6.72	-30.79
O=C(CC1CCCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673727	1	35	-1.0	-37.49	286.76	6.73	-30.76
COC(=O)N[C@H](C(=O)OCC1=N[N-]N=N1)C(C)C	REAL250004673728	0	32	-1.0	-36.32	271.03	0.69	-35.63
COC(=O)N[C@H](C(=O)OCC1=NN=N[N-]1)C(C)C	REAL250004673728	1	32	-1.0	-36.34	271.09	0.70	-35.64
O=C(OCC1=N[N-]N=N1)C1=CC=CC(OC2CCCC2)=C1	REAL250004673729	0	36	-1.0	-39.36	304.97	6.00	-33.36
O=C(OCC1=NN=N[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL250004673729	1	36	-1.0	-39.33	305.03	6.01	-33.32
CC(C)COC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673730	0	35	-1.0	-43.67	301.07	6.22	-37.45
CC(C)COC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673730	1	35	-1.0	-43.69	301.13	6.23	-37.46
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004673731	0	28	-1.0	-38.45	254.52	5.07	-33.38
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004673731	1	28	-1.0	-38.44	254.58	5.09	-33.35
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL250004673732	0	27	-1.0	-44.20	270.09	2.32	-41.88
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL250004673732	1	27	-1.0	-44.16	270.15	2.33	-41.83
O=C(CCCCCC1=CC=CS1)OCC1=N[N-]N=N1	REAL250004673733	0	34	-1.0	-38.43	308.53	6.80	-31.63
O=C(CCCCCC1=CC=CS1)OCC1=NN=N[N-]1	REAL250004673733	1	34	-1.0	-38.46	308.59	6.82	-31.64
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL250004673734	0	24	-1.0	-34.63	244.88	4.52	-30.11
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL250004673734	1	24	-1.0	-34.66	244.93	4.53	-30.13
CC1=NC(C(=O)OCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004673735	0	31	-1.0	-48.09	283.61	5.31	-42.78
CC1=NC(C(=O)OCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004673735	1	31	-1.0	-48.07	283.66	5.32	-42.75
CCC1=C2NC=C(CC(=O)OCC3=N[N-]N=N3)C2=CC=C1	REAL250004673736	0	35	-1.0	-42.31	307.23	6.03	-36.28
CCC1=C2NC=C(CC(=O)OCC3=NN=N[N-]3)C2=CC=C1	REAL250004673736	1	35	-1.0	-42.28	307.29	6.04	-36.24
COC(=O)C1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673737	0	34	-1.0	-40.50	308.62	6.03	-34.47
COC(=O)C1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673737	1	34	-1.0	-40.50	308.68	6.05	-34.45
O=C(OCC1=N[N-]N=N1)C1=CN2C(=O)NN=C2C=C1	REAL250004673738	0	25	-1.0	-38.12	242.54	2.15	-35.97
O=C(OCC1=NN=N[N-]1)C1=CN2C(=O)NN=C2C=C1	REAL250004673738	1	25	-1.0	-38.13	242.59	2.17	-35.96
CCS(=O)(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673739	0	31	-1.0	-45.12	292.42	2.19	-42.93
CCS(=O)(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673739	1	31	-1.0	-45.12	292.48	2.20	-42.92
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1CCCC1	REAL250004673740	0	35	-1.0	-41.60	295.61	4.91	-36.69
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1CCCC1	REAL250004673740	1	35	-1.0	-41.59	295.67	4.93	-36.66
CC(C(=O)OCC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL250004673741	0	28	-1.0	-40.71	256.83	5.04	-35.67
CC(C(=O)OCC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL250004673741	1	28	-1.0	-40.71	256.89	5.04	-35.67
O=C(OCC1=N[N-]N=N1)C1=CC(F)=C(Cl)C=C1F	REAL250004673742	0	22	-1.0	-35.89	237.39	4.37	-31.52
O=C(OCC1=NN=N[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL250004673742	1	22	-1.0	-35.90	237.45	4.39	-31.51
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(C)=C1F	REAL250004673743	0	28	-1.0	-36.25	257.25	5.10	-31.15
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(C)=C1F	REAL250004673743	1	28	-1.0	-36.24	257.31	5.12	-31.12
O=C(OCC1=NN=N[N-]1)C1=CC=NC2=CC=CC=C21	REAL250004673744	0	27	-1.0	-38.81	246.47	4.03	-34.78
O=C(OCC1=N[N-]N=N1)C1=CC=NC2=CC=CC=C21	REAL250004673744	1	27	-1.0	-38.80	246.41	4.02	-34.78
O=C(OCC1=NN=N[N-]1)C1=CN=CC2=CC=CC=C21	REAL250004673745	0	27	-1.0	-43.47	247.02	4.16	-39.31
O=C(OCC1=N[N-]N=N1)C1=CN=CC2=CC=CC=C21	REAL250004673745	1	27	-1.0	-43.45	246.97	4.15	-39.30
CCCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1CC1	REAL250004673746	0	35	-1.0	-41.07	301.78	4.99	-36.08
CCCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1CC1	REAL250004673746	1	35	-1.0	-41.09	301.84	5.01	-36.08
O=C(OCC1=N[N-]N=N1)C(C1=CC=CC=C1)C1CC1	REAL250004673747	0	32	-1.0	-38.42	277.59	6.57	-31.85
O=C(OCC1=NN=N[N-]1)C(C1=CC=CC=C1)C1CC1	REAL250004673747	1	32	-1.0	-38.40	277.65	6.58	-31.82
O=C(OCC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL250004673748	0	22	-1.0	-34.52	232.85	4.35	-30.17
O=C(OCC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250004673748	1	22	-1.0	-34.54	232.91	4.36	-30.18
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2OCCO2)=C1	REAL250004673749	0	31	-1.0	-40.29	277.57	3.42	-36.87
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2OCCO2)=C1	REAL250004673749	1	31	-1.0	-40.30	277.62	3.44	-36.86
O=C(OCC1=N[N-]N=N1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004673750	0	31	-1.0	-48.87	287.06	5.64	-43.23
O=C(OCC1=NN=N[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL250004673750	1	31	-1.0	-48.88	287.12	5.66	-43.22
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1CCOCC1	REAL250004673751	0	36	-1.0	-42.59	305.12	3.03	-39.56
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1CCOCC1	REAL250004673751	1	36	-1.0	-42.60	305.17	3.04	-39.56
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CC(C)C	REAL250004673752	0	34	-1.0	-41.25	284.94	3.91	-37.34
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CC(C)C	REAL250004673752	1	34	-1.0	-41.22	285.00	3.92	-37.30
CSC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004673753	0	26	-1.0	-35.98	256.21	4.82	-31.16
CSC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004673753	1	26	-1.0	-36.00	256.27	4.84	-31.16
CS(=O)(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004673754	0	25	-1.0	-44.68	264.18	0.32	-44.36
CS(=O)(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004673754	1	25	-1.0	-44.66	264.24	0.34	-44.32
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=C1	REAL250004673755	0	28	-1.0	-40.89	263.32	5.47	-35.42
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL250004673755	1	28	-1.0	-40.89	263.38	5.48	-35.41
CCN(CC)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673756	0	35	-1.0	-40.80	302.44	5.52	-35.28
CCN(CC)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673756	1	35	-1.0	-40.82	302.38	5.50	-35.32
CC(=O)[C@@H]1C[C@H](CC(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004673757	0	36	-1.0	-39.39	295.44	5.15	-34.24
CC(=O)[C@@H]1C[C@H](CC(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004673757	1	36	-1.0	-39.41	295.50	5.17	-34.24
CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1Br	REAL250004673758	0	22	-1.0	-38.50	232.13	1.99	-36.51
CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1Br	REAL250004673758	1	22	-1.0	-38.51	232.07	1.98	-36.53
CC(C(=O)OCC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL250004673759	0	35	-1.0	-40.64	305.85	6.85	-33.79
CC(C(=O)OCC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL250004673759	1	35	-1.0	-40.63	305.91	6.87	-33.76
CN1N=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673760	0	24	-1.0	-33.02	239.87	3.29	-29.73
CN1N=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673760	1	24	-1.0	-33.01	239.81	3.27	-29.74
COC1=NC=C(C=CC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673761	0	28	-1.0	-41.49	263.47	-0.25	-41.74
COC1=NC=C(C=CC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673761	1	28	-1.0	-41.50	263.53	-0.24	-41.74
CC(CC(=O)OCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004673762	0	38	-1.0	-42.45	318.27	2.58	-39.87
CC(CC(=O)OCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004673762	1	38	-1.0	-42.46	318.33	2.59	-39.87
CC(C)(C)OC(=O)N1CC(CC(=O)OCC2=N[N-]N=N2)C1	REAL250004673763	0	39	-1.0	-42.16	327.50	3.93	-38.23
CC(C)(C)OC(=O)N1CC(CC(=O)OCC2=NN=N[N-]2)C1	REAL250004673763	1	39	-1.0	-42.16	327.56	3.95	-38.21
CSC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004673764	0	28	-1.0	-48.09	276.82	6.21	-41.88
CSC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004673764	1	28	-1.0	-48.09	276.87	6.22	-41.87
C=CCSC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673765	0	30	-1.0	-41.98	279.24	6.04	-35.94
C=CCSC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673765	1	30	-1.0	-41.98	279.30	6.05	-35.93
CC(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N=C1C	REAL250004673766	0	32	-1.0	-34.99	278.47	3.55	-31.44
CC(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N=C1C	REAL250004673766	1	32	-1.0	-35.00	278.53	3.57	-31.43
COC(C)(C)C1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673767	0	34	-1.0	-39.00	301.11	2.27	-36.73
COC(C)(C)C1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673767	1	34	-1.0	-38.98	301.16	2.29	-36.69
CC1=CC(C(F)(F)F)=NN1CC(=O)OCC1=N[N-]N=N1	REAL250004673768	0	28	-1.0	-41.04	275.76	3.46	-37.58
CC1=CC(C(F)(F)F)=NN1CC(=O)OCC1=NN=N[N-]1	REAL250004673768	1	28	-1.0	-41.03	275.81	3.47	-37.56
CC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)S1	REAL250004673769	0	28	-1.0	-37.29	265.92	5.25	-32.04
CC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)S1	REAL250004673769	1	28	-1.0	-37.29	265.98	5.27	-32.02
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CCCC2)C=C1	REAL250004673770	0	33	-1.0	-38.09	290.90	7.09	-31.00
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CCCC2)C=C1	REAL250004673770	1	33	-1.0	-38.09	290.95	7.11	-30.98
CC(C)(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673771	0	34	-1.0	-38.11	293.73	6.30	-31.81
CC(C)(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673771	1	34	-1.0	-38.10	293.79	6.32	-31.78
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)N=CS1	REAL250004673772	0	27	-1.0	-44.12	253.77	2.78	-41.34
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)N=CS1	REAL250004673772	1	27	-1.0	-44.12	253.71	2.76	-41.36
CC1=CC=CC=C1C1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004673773	0	38	-1.0	-42.10	292.99	6.87	-35.23
CC1=CC=CC=C1C1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004673773	1	38	-1.0	-42.05	293.05	6.89	-35.16
CCOC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673774	0	31	-1.0	-37.49	286.89	5.37	-32.12
CCOC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673774	1	31	-1.0	-37.48	286.95	5.38	-32.10
O=C(OCC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004673775	0	27	-1.0	-46.20	264.80	4.54	-41.66
O=C(OCC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL250004673775	1	27	-1.0	-46.17	264.74	4.53	-41.64
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(=O)CSC2=C1	REAL250004673776	0	28	-1.0	-39.00	270.30	2.80	-36.20
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL250004673776	1	28	-1.0	-39.00	270.36	2.82	-36.18
O=C(OCC1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL250004673777	0	32	-1.0	-44.38	282.29	0.99	-43.39
O=C(OCC1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL250004673777	1	32	-1.0	-44.41	282.24	0.98	-43.43
O=C(OCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N=N1	REAL250004673778	0	25	-1.0	-50.31	243.33	2.15	-48.16
O=C(OCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N=N1	REAL250004673778	1	25	-1.0	-50.28	243.28	2.13	-48.15
O=C(OCC1=NN=N[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004673779	0	25	-1.0	-43.02	256.57	4.01	-39.01
O=C(OCC1=N[N-]N=N1)C1=NN2C=CC(Cl)=CC2=C1	REAL250004673779	1	25	-1.0	-43.00	256.51	3.99	-39.01
O=C(CC1=CC=CC(Cl)=C1F)OCC1=N[N-]N=N1	REAL250004673780	0	25	-1.0	-40.83	254.05	5.11	-35.72
O=C(CC1=CC=CC(Cl)=C1F)OCC1=NN=N[N-]1	REAL250004673780	1	25	-1.0	-40.82	254.11	5.12	-35.70
CC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004673781	0	30	-1.0	-42.39	276.62	5.75	-36.64
CC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004673781	1	30	-1.0	-42.37	276.67	5.77	-36.60
CC1(C)COC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004673782	0	33	-1.0	-38.76	287.08	4.74	-34.02
CC1(C)COC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004673782	1	33	-1.0	-38.78	287.13	4.75	-34.03
CN1N=NC2=C1CC(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004673783	0	31	-1.0	-40.53	268.68	2.59	-37.94
CN1N=NC2=C1CC(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004673783	1	31	-1.0	-40.56	268.73	2.60	-37.96
CC1=CC=C2SC(C(=O)OCC3=N[N-]N=N3)=CC2=C1	REAL250004673784	0	28	-1.0	-40.50	269.78	5.91	-34.59
CC1=CC=C2SC(C(=O)OCC3=NN=N[N-]3)=CC2=C1	REAL250004673784	1	28	-1.0	-40.49	269.84	5.92	-34.57
O=C(CCCC1=CC=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004673785	0	31	-1.0	-39.41	288.00	6.52	-32.89
O=C(CCCC1=CC=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004673785	1	31	-1.0	-39.41	288.05	6.53	-32.88
CC1=CC(=O)C=C(C)N1CCCC(=O)OCC1=N[N-]N=N1	REAL250004673786	0	37	-1.0	-52.21	312.00	5.54	-46.67
CC1=CC(=O)C=C(C)N1CCCC(=O)OCC1=NN=N[N-]1	REAL250004673786	1	37	-1.0	-52.18	312.06	5.57	-46.61
O=C(COC1=CC(F)=CC(F)=C1)OCC1=N[N-]N=N1	REAL250004673787	0	26	-1.0	-37.26	254.15	4.17	-33.09
O=C(COC1=CC(F)=CC(F)=C1)OCC1=NN=N[N-]1	REAL250004673787	1	26	-1.0	-37.24	254.21	4.19	-33.05
O=C(OCC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2F)C1	REAL250004673788	0	34	-1.0	-38.09	294.86	4.47	-33.62
O=C(OCC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL250004673788	1	34	-1.0	-38.10	294.92	4.49	-33.61
O=C(OCC1=N[N-]N=N1)C1=CC2=C(N1)SC(Cl)=C2	REAL250004673789	0	23	-1.0	-35.39	250.52	3.36	-32.03
O=C(OCC1=NN=N[N-]1)C1=CC2=C(N1)SC(Cl)=C2	REAL250004673789	1	23	-1.0	-35.36	250.57	3.37	-31.99
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCCC2)C=C1	REAL250004673790	0	35	-1.0	-38.35	293.76	6.95	-31.40
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL250004673790	1	35	-1.0	-38.37	293.82	6.96	-31.41
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004673791	0	34	-1.0	-39.87	293.27	5.95	-33.92
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL250004673791	1	34	-1.0	-39.90	293.33	5.96	-33.94
CSCC1=CC=CN=C1C(=O)OCC1=NN=N[N-]1	REAL250004673792	0	28	-1.0	-46.18	265.03	3.69	-42.49
CSCC1=CC=CN=C1C(=O)OCC1=N[N-]N=N1	REAL250004673792	1	28	-1.0	-46.18	264.97	3.67	-42.51
O=C(OCC1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL250004673793	0	27	-1.0	-42.60	267.93	-0.14	-42.74
O=C(OCC1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL250004673793	1	27	-1.0	-42.60	267.87	-0.15	-42.75
CCCC1=CC=C(CCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673794	0	40	-1.0	-38.44	339.70	8.37	-30.07
CCCC1=CC=C(CCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673794	1	40	-1.0	-38.43	339.75	8.38	-30.05
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250004673795	0	31	-1.0	-40.80	282.08	5.66	-35.14
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250004673795	1	31	-1.0	-40.83	282.03	5.65	-35.18
CC1(C(=O)OCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL250004673796	0	32	-1.0	-41.04	272.32	6.10	-34.94
CC1(C(=O)OCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL250004673796	1	32	-1.0	-40.99	272.38	6.11	-34.88
O=C(OCC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)C1CC1	REAL250004673797	0	33	-1.0	-47.72	284.12	4.49	-43.23
O=C(OCC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)C1CC1	REAL250004673797	1	33	-1.0	-47.72	284.18	4.51	-43.21
CC1=CC=C(C2(C(=O)OCC3=N[N-]N=N3)CCC2)C=C1	REAL250004673798	0	35	-1.0	-41.11	291.65	6.86	-34.25
CC1=CC=C(C2(C(=O)OCC3=NN=N[N-]3)CCC2)C=C1	REAL250004673798	1	35	-1.0	-41.05	291.71	6.88	-34.17
CC(C)(C)OC(=O)COCC(=O)OCC1=N[N-]N=N1	REAL250004673799	0	34	-1.0	-45.32	296.40	3.95	-41.37
CC(C)(C)OC(=O)COCC(=O)OCC1=NN=N[N-]1	REAL250004673799	1	34	-1.0	-45.31	296.45	3.96	-41.35
CC1=CC=C(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)N=N1	REAL250004673800	0	33	-1.0	-42.72	298.56	5.13	-37.59
CC1=CC=C(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)N=N1	REAL250004673800	1	33	-1.0	-42.70	298.62	5.15	-37.55
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004673801	0	39	-1.0	-40.25	325.12	2.64	-37.61
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004673801	1	39	-1.0	-40.22	325.18	2.66	-37.56
COC(=O)C12CC(C(=O)OCC3=N[N-]N=N3)(C1)C2	REAL250004673802	0	29	-1.0	-38.03	265.97	4.14	-33.89
COC(=O)C12CC(C(=O)OCC3=NN=N[N-]3)(C1)C2	REAL250004673802	1	29	-1.0	-38.03	266.03	4.16	-33.87
CC1(C)CC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2O1	REAL250004673803	0	33	-1.0	-38.95	287.68	5.02	-33.93
CC1(C)CC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2O1	REAL250004673803	1	33	-1.0	-38.95	287.74	5.04	-33.91
CC(C)(C)OC(=O)CC1(C(=O)OCC2=N[N-]N=N2)CCC1	REAL250004673804	0	40	-1.0	-43.43	324.14	6.02	-37.41
CC(C)(C)OC(=O)CC1(C(=O)OCC2=NN=N[N-]2)CCC1	REAL250004673804	1	40	-1.0	-43.41	324.19	6.03	-37.38
O=C(OCC1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL250004673805	0	24	-1.0	-42.22	258.85	3.91	-38.31
O=C(OCC1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL250004673805	1	24	-1.0	-42.22	258.79	3.89	-38.33
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004673806	0	29	-1.0	-39.71	277.00	5.09	-34.62
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL250004673806	1	29	-1.0	-39.72	276.94	5.08	-34.64
CCOC(=O)C1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004673807	0	34	-1.0	-37.99	288.38	5.02	-32.97
CCOC(=O)C1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004673807	1	34	-1.0	-38.02	288.44	5.03	-32.99
O=C(OCC1=N[N-]N=N1)C1=CC2=C(S1)C(=O)NC=C2	REAL250004673808	0	25	-1.0	-48.47	253.68	2.20	-46.27
O=C(OCC1=NN=N[N-]1)C1=CC2=C(S1)C(=O)NC=C2	REAL250004673808	1	25	-1.0	-48.49	253.73	2.21	-46.28
CSC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673809	0	25	-1.0	-42.62	249.57	3.15	-39.47
CSC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673809	1	25	-1.0	-42.58	249.52	3.13	-39.45
O=C(OCC1=N[N-]N=N1)C1CCC2=CC=CC=C2C1	REAL250004673810	0	32	-1.0	-37.80	272.62	6.23	-31.57
O=C(OCC1=NN=N[N-]1)C1CCC2=CC=CC=C2C1	REAL250004673810	1	32	-1.0	-37.79	272.68	6.24	-31.55
CC(COCC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673811	0	35	-1.0	-38.99	305.20	5.83	-33.16
CC(COCC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673811	1	35	-1.0	-38.98	305.26	5.85	-33.13
O=C(COCCC1=CC=CC(F)=C1)OCC1=N[N-]N=N1	REAL250004673812	0	32	-1.0	-39.78	294.79	5.39	-34.39
O=C(COCCC1=CC=CC(F)=C1)OCC1=NN=N[N-]1	REAL250004673812	1	32	-1.0	-39.79	294.85	5.40	-34.39
O=C(CN1N=C2CCCCN2C1=O)OCC1=N[N-]N=N1	REAL250004673813	0	32	-1.0	-48.44	282.92	3.95	-44.49
O=C(CN1N=C2CCCCN2C1=O)OCC1=NN=N[N-]1	REAL250004673813	1	32	-1.0	-48.43	282.98	3.97	-44.46
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC2=CC=NC=C21	REAL250004673814	0	27	-1.0	-39.86	253.23	4.18	-35.68
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC2=CC=NC=C21	REAL250004673814	1	27	-1.0	-39.86	253.17	4.16	-35.70
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004673815	0	36	-1.0	-41.67	309.21	2.10	-39.57
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004673815	1	36	-1.0	-41.65	309.27	2.12	-39.53
O=C(OCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004673816	0	32	-1.0	-37.73	281.45	2.93	-34.80
O=C(OCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250004673816	1	32	-1.0	-37.73	281.51	2.94	-34.79
O=C(C=CC1CCCCCC1)OCC1=N[N-]N=N1	REAL250004673817	0	35	-1.0	-37.32	281.55	5.86	-31.46
O=C(C=CC1CCCCCC1)OCC1=NN=N[N-]1	REAL250004673817	1	35	-1.0	-37.32	281.61	5.87	-31.45
COC(=O)C1=NN(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673818	0	28	-1.0	-46.40	268.71	2.67	-43.73
COC(=O)C1=NN(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673818	1	28	-1.0	-46.40	268.66	2.66	-43.74
COC(=O)C1=NN(CCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673819	0	34	-1.0	-47.86	312.32	4.05	-43.81
COC(=O)C1=NN(CCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673819	1	34	-1.0	-47.84	312.27	4.03	-43.81
O=C(OCC1=N[N-]N=N1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004673820	0	32	-1.0	-38.46	276.47	6.27	-32.19
O=C(OCC1=NN=N[N-]1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL250004673820	1	32	-1.0	-38.46	276.53	6.29	-32.17
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004673821	0	38	-1.0	-38.86	311.74	6.17	-32.69
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL250004673821	1	38	-1.0	-38.82	311.79	6.18	-32.64
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004673822	0	27	-1.0	-50.29	256.04	2.07	-48.22
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL250004673822	1	27	-1.0	-50.32	256.09	2.09	-48.23
C=CCCCC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673823	0	38	-1.0	-37.72	326.12	7.87	-29.85
C=CCCCC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673823	1	38	-1.0	-37.73	326.17	7.88	-29.85
CC1=CC(C)=C(CC(=O)OCC2=N[N-]N=N2)S1	REAL250004673824	0	28	-1.0	-38.35	262.92	5.03	-33.32
CC1=CC(C)=C(CC(=O)OCC2=NN=N[N-]2)S1	REAL250004673824	1	28	-1.0	-38.34	262.98	5.04	-33.30
CCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1CC1	REAL250004673825	0	32	-1.0	-41.54	280.28	4.23	-37.31
CCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1CC1	REAL250004673825	1	32	-1.0	-41.52	280.34	4.24	-37.28
O=C(OCC1=NN=N[N-]1)C1=C(C2CC2)SC=N1	REAL250004673826	0	25	-1.0	-44.99	243.16	2.91	-42.08
O=C(OCC1=N[N-]N=N1)C1=C(C2CC2)SC=N1	REAL250004673826	1	25	-1.0	-44.99	243.10	2.90	-42.09
CC1=CC2=C(S1)C(CC(=O)OCC1=N[N-]N=N1)=CS2	REAL250004673827	0	28	-1.0	-39.78	281.20	5.79	-33.99
CC1=CC2=C(S1)C(CC(=O)OCC1=NN=N[N-]1)=CS2	REAL250004673827	1	28	-1.0	-39.75	281.25	5.81	-33.94
O=C(CCCC(=O)C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673828	0	33	-1.0	-45.35	295.54	5.97	-39.38
O=C(CCCC(=O)C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673828	1	33	-1.0	-45.37	295.60	5.99	-39.38
O=C(OCC1=N[N-]N=N1)C1=CN=C(CC2CC2)S1	REAL250004673829	0	28	-1.0	-38.33	271.48	4.04	-34.29
O=C(OCC1=NN=N[N-]1)C1=CN=C(CC2CC2)S1	REAL250004673829	1	28	-1.0	-38.29	271.53	4.05	-34.24
CN1N=C2CCSCC2=C1C(=O)OCC1=N[N-]N=N1	REAL250004673830	0	30	-1.0	-36.19	270.44	3.63	-32.56
CN1N=C2CCSCC2=C1C(=O)OCC1=NN=N[N-]1	REAL250004673830	1	30	-1.0	-36.20	270.49	3.64	-32.56
CSC1=NC=CN=C1C(=O)OCC1=NN=N[N-]1	REAL250004673831	0	24	-1.0	-44.07	239.35	1.25	-42.82
CSC1=NC=CN=C1C(=O)OCC1=N[N-]N=N1	REAL250004673831	1	24	-1.0	-44.09	239.29	1.24	-42.85
O=C(OCC1=NN=N[N-]1)C1=CSC(N2CCCCC2)=N1	REAL250004673832	0	33	-1.0	-43.91	293.96	3.23	-40.68
O=C(OCC1=N[N-]N=N1)C1=CSC(N2CCCCC2)=N1	REAL250004673832	1	33	-1.0	-43.92	293.90	3.22	-40.70
COC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673833	0	31	-1.0	-39.32	280.91	2.07	-37.25
COC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673833	1	31	-1.0	-39.31	280.86	2.06	-37.25
O=C(OCC1=N[N-]N=N1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004673834	0	32	-1.0	-38.54	276.39	3.40	-35.14
O=C(OCC1=NN=N[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250004673834	1	32	-1.0	-38.56	276.44	3.41	-35.15
CCC1=NC(C)=C(CC(=O)OCC2=N[N-]N=N2)C(C)=N1	REAL250004673835	0	35	-1.0	-40.01	300.58	4.13	-35.88
CCC1=NC(C)=C(CC(=O)OCC2=NN=N[N-]2)C(C)=N1	REAL250004673835	1	35	-1.0	-39.98	300.64	4.14	-35.84
CC1=CN2N=CC(C(=O)OCC3=NN=N[N-]3)=C2N=C1	REAL250004673836	0	27	-1.0	-48.65	255.26	3.41	-45.24
CC1=CN2N=CC(C(=O)OCC3=N[N-]N=N3)=C2N=C1	REAL250004673836	1	27	-1.0	-48.61	255.20	3.39	-45.22
CC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004673837	0	30	-1.0	-50.84	273.01	5.90	-44.94
CC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004673837	1	30	-1.0	-50.87	273.06	5.92	-44.95
COC1=CC=CC2=C(C(=O)OCC3=NN=N[N-]3)C=NN21	REAL250004673838	0	29	-1.0	-48.11	266.20	2.32	-45.79
COC1=CC=CC2=C(C(=O)OCC3=N[N-]N=N3)C=NN21	REAL250004673838	1	29	-1.0	-48.11	266.14	2.30	-45.81
CCOC(=O)N(C)CCCC(=O)OCC1=N[N-]N=N1	REAL250004673839	0	35	-1.0	-44.05	307.03	3.62	-40.43
CCOC(=O)N(C)CCCC(=O)OCC1=NN=N[N-]1	REAL250004673839	1	35	-1.0	-44.05	307.09	3.63	-40.42
CC(C)CN1C=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673840	0	31	-1.0	-46.63	276.66	4.02	-42.61
CC(C)CN1C=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673840	1	31	-1.0	-46.63	276.61	4.00	-42.63
O=C(CCCC1=CC=C(C2CC2)C=C1)OCC1=N[N-]N=N1	REAL250004673841	0	38	-1.0	-38.76	324.53	8.26	-30.50
O=C(CCCC1=CC=C(C2CC2)C=C1)OCC1=NN=N[N-]1	REAL250004673841	1	38	-1.0	-38.80	324.59	8.27	-30.53
O=C(CC1CCC2(CCC2)CO1)OCC1=N[N-]N=N1	REAL250004673842	0	36	-1.0	-39.29	292.36	4.92	-34.37
O=C(CC1CCC2(CCC2)CO1)OCC1=NN=N[N-]1	REAL250004673842	1	36	-1.0	-39.30	292.42	4.94	-34.36
O=C(CC1CCC2(CCOCC2)CO1)OCC1=N[N-]N=N1	REAL250004673843	0	40	-1.0	-39.84	309.53	3.54	-36.30
O=C(CC1CCC2(CCOCC2)CO1)OCC1=NN=N[N-]1	REAL250004673843	1	40	-1.0	-39.86	309.59	3.56	-36.30
O=C(OCC1=N[N-]N=N1)C1CC2CCC(C1)S2	REAL250004673844	0	30	-1.0	-37.08	250.21	4.67	-32.41
O=C(OCC1=NN=N[N-]1)C1CC2CCC(C1)S2	REAL250004673844	1	30	-1.0	-37.06	250.27	4.69	-32.37
O=C(OCC1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL250004673845	0	22	-1.0	-45.27	229.26	3.50	-41.77
O=C(OCC1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL250004673845	1	22	-1.0	-45.30	229.32	3.51	-41.79
O=C(OCC1=N[N-]N=N1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004673846	0	29	-1.0	-37.85	272.37	6.07	-31.78
O=C(OCC1=NN=N[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250004673846	1	29	-1.0	-37.86	272.43	6.09	-31.77
CN1N=C(C2CCOCC2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673847	0	36	-1.0	-36.20	303.91	2.94	-33.26
CN1N=C(C2CCOCC2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673847	1	36	-1.0	-36.21	303.97	2.96	-33.25
O=C(OCC1=N[N-]N=N1)C1=NN2C=CNC(=O)C2=C1	REAL250004673848	0	25	-1.0	-49.61	244.34	0.47	-49.14
O=C(OCC1=NN=N[N-]1)C1=NN2C=CNC(=O)C2=C1	REAL250004673848	1	25	-1.0	-49.61	244.40	0.49	-49.12
COC(=O)C1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004673849	0	30	-1.0	-37.62	270.67	3.06	-34.56
COC(=O)C1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004673849	1	30	-1.0	-37.62	270.73	3.08	-34.54
CC(=O)NC1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004673850	0	35	-1.0	-44.60	294.35	2.46	-42.14
CC(=O)NC1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004673850	1	35	-1.0	-44.64	294.41	2.47	-42.17
CN(C)C(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673851	0	31	-1.0	-37.71	279.00	2.93	-34.78
CN(C)C(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673851	1	31	-1.0	-37.71	278.94	2.91	-34.80
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1OC(F)F	REAL250004673852	0	29	-1.0	-42.45	269.56	4.09	-38.36
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1OC(F)F	REAL250004673852	1	29	-1.0	-42.45	269.62	4.10	-38.35
CCC1=C(C(=O)OCC2=N[N-]N=N2)SC2=CC=CC=C21	REAL250004673853	0	31	-1.0	-42.23	284.09	6.45	-35.78
CCC1=C(C(=O)OCC2=NN=N[N-]2)SC2=CC=CC=C21	REAL250004673853	1	31	-1.0	-42.21	284.15	6.47	-35.74
C[C@H](CC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004673854	0	37	-1.0	-36.61	291.49	6.01	-30.60
C[C@H](CC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004673854	1	37	-1.0	-36.61	291.54	6.03	-30.58
CN1N=CC2=CC(CC(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673855	0	31	-1.0	-41.82	281.82	4.56	-37.26
CN1N=CC2=CC(CC(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673855	1	31	-1.0	-41.81	281.77	4.54	-37.27
C=CCCCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673856	0	35	-1.0	-39.21	308.97	7.35	-31.86
C=CCCCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673856	1	35	-1.0	-39.21	309.03	7.36	-31.85
O=C(OCC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004673857	0	32	-1.0	-37.26	278.08	5.56	-31.70
O=C(OCC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004673857	1	32	-1.0	-37.23	278.14	5.57	-31.66
CN1N=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1Cl	REAL250004673858	0	22	-1.0	-40.28	245.12	2.44	-37.84
CN1N=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1Cl	REAL250004673858	1	22	-1.0	-40.29	245.06	2.42	-37.87
CCC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL250004673859	0	33	-1.0	-42.04	290.96	5.53	-36.51
CCC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL250004673859	1	33	-1.0	-42.02	290.90	5.51	-36.51
O=C(OCC1=N[N-]N=N1)C1(C2CCCO2)CCCO1	REAL250004673860	0	34	-1.0	-39.25	281.65	2.93	-36.32
O=C(OCC1=NN=N[N-]1)C1(C2CCCO2)CCCO1	REAL250004673860	1	34	-1.0	-39.22	281.71	2.95	-36.27
O=C(C=CC1=CC=C(F)C=C1F)OCC1=N[N-]N=N1	REAL250004673861	0	26	-1.0	-38.24	253.47	5.14	-33.10
O=C(C=CC1=CC=C(F)C=C1F)OCC1=NN=N[N-]1	REAL250004673861	1	26	-1.0	-38.28	253.53	5.15	-33.13
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)N(C)N=C1	REAL250004673862	0	31	-1.0	-36.58	268.76	3.52	-33.06
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)N(C)N=C1	REAL250004673862	1	31	-1.0	-36.57	268.71	3.51	-33.06
CC1=NOC(C)=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004673863	0	30	-1.0	-38.96	270.94	4.13	-34.83
CC1=NOC(C)=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004673863	1	30	-1.0	-38.95	271.00	4.14	-34.81
O=C(OCC1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2S1	REAL250004673864	0	25	-1.0	-38.12	254.82	5.31	-32.81
O=C(OCC1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL250004673864	1	25	-1.0	-38.10	254.88	5.33	-32.77
O=C(CCC1=CC=CC=C1F)OCC1=N[N-]N=N1	REAL250004673865	0	28	-1.0	-39.18	259.37	5.40	-33.78
O=C(CCC1=CC=CC=C1F)OCC1=NN=N[N-]1	REAL250004673865	1	28	-1.0	-39.20	259.43	5.42	-33.78
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2F)O1	REAL250004673866	0	29	-1.0	-47.22	280.24	5.76	-41.46
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL250004673866	1	29	-1.0	-47.24	280.30	5.78	-41.46
COC1=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004673867	0	32	-1.0	-40.79	285.80	5.32	-35.47
COC1=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004673867	1	32	-1.0	-40.76	285.86	5.34	-35.42
O=C(CCC1=NC2=CC=CC=C2O1)OCC1=N[N-]N=N1	REAL250004673868	0	30	-1.0	-41.84	276.14	2.33	-39.51
O=C(CCC1=NC2=CC=CC=C2O1)OCC1=NN=N[N-]1	REAL250004673868	1	30	-1.0	-41.87	276.20	2.35	-39.52
O=C(CC1OC2=CC=CC=C2NC1=O)OCC1=N[N-]N=N1	REAL250004673869	0	31	-1.0	-41.22	280.78	2.29	-38.93
O=C(CC1OC2=CC=CC=C2NC1=O)OCC1=NN=N[N-]1	REAL250004673869	1	31	-1.0	-41.20	280.84	2.31	-38.89
O=C(CCNC(=O)C1=CC=CS1)OCC1=N[N-]N=N1	REAL250004673870	0	29	-1.0	-43.32	281.04	2.02	-41.30
O=C(CCNC(=O)C1=CC=CS1)OCC1=NN=N[N-]1	REAL250004673870	1	29	-1.0	-43.32	281.09	2.04	-41.28
O=C(CCCNC(=O)C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673871	0	35	-1.0	-43.16	310.39	3.80	-39.36
O=C(CCCNC(=O)C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673871	1	35	-1.0	-43.20	310.45	3.81	-39.39
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=C2OCCOC2=C1	REAL250004673872	0	28	-1.0	-39.35	270.69	3.47	-35.88
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL250004673872	1	28	-1.0	-39.37	270.74	3.48	-35.89
CCC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673873	0	34	-1.0	-37.33	296.70	6.81	-30.52
CCC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673873	1	34	-1.0	-37.38	296.76	6.82	-30.56
COC1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=C1OC	REAL250004673874	0	36	-1.0	-41.30	312.86	4.62	-36.68
COC1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=C1OC	REAL250004673874	1	36	-1.0	-41.30	312.92	4.63	-36.67
CS(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673875	0	27	-1.0	-46.47	262.47	2.38	-44.09
CS(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673875	1	27	-1.0	-46.48	262.52	2.40	-44.08
O=C(OCC1=N[N-]N=N1)C1=CC=C2OCCCOC2=C1	REAL250004673876	0	31	-1.0	-38.96	273.08	3.73	-35.23
O=C(OCC1=NN=N[N-]1)C1=CC=C2OCCCOC2=C1	REAL250004673876	1	31	-1.0	-38.95	273.14	3.74	-35.21
CC1=C(C(=O)OCC2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL250004673877	0	28	-1.0	-39.92	263.92	4.92	-35.00
CC1=C(C(=O)OCC2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL250004673877	1	28	-1.0	-39.93	263.98	4.94	-34.99
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)C=C1	REAL250004673878	0	29	-1.0	-42.52	268.61	5.00	-37.52
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C=C1	REAL250004673878	1	29	-1.0	-42.52	268.56	4.98	-37.54
CC1=CSC(=O)N1CCC(=O)OCC1=N[N-]N=N1	REAL250004673879	0	28	-1.0	-42.36	266.26	3.07	-39.29
CC1=CSC(=O)N1CCC(=O)OCC1=NN=N[N-]1	REAL250004673879	1	28	-1.0	-42.38	266.32	3.08	-39.30
O=C(COC1=CC=C(F)C=C1Cl)OCC1=N[N-]N=N1	REAL250004673880	0	26	-1.0	-39.33	263.77	4.64	-34.69
O=C(COC1=CC=C(F)C=C1Cl)OCC1=NN=N[N-]1	REAL250004673880	1	26	-1.0	-39.37	263.82	4.65	-34.72
CCCCC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673881	0	37	-1.0	-38.02	318.30	7.56	-30.46
CCCCC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673881	1	37	-1.0	-38.03	318.36	7.58	-30.45
O=C(OCC1=N[N-]N=N1)C1CC(=O)N(C2CC2)C1	REAL250004673882	0	30	-1.0	-40.02	261.56	3.09	-36.93
O=C(OCC1=NN=N[N-]1)C1CC(=O)N(C2CC2)C1	REAL250004673882	1	30	-1.0	-40.04	261.62	3.11	-36.93
CCSC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673883	0	29	-1.0	-42.08	266.43	5.47	-36.61
CCSC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673883	1	29	-1.0	-42.07	266.49	5.48	-36.59
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004673884	0	27	-1.0	-40.79	260.57	3.55	-37.24
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL250004673884	1	27	-1.0	-40.77	260.63	3.56	-37.21
O=C(OCC1=N[N-]N=N1)C1C2CC3CC(C2)CC1C3	REAL250004673885	0	36	-1.0	-38.15	269.17	5.66	-32.49
O=C(OCC1=NN=N[N-]1)C1C2CC3CC(C2)CC1C3	REAL250004673885	1	36	-1.0	-38.14	269.23	5.67	-32.47
O=C(CSC1=CC=C2CCCC2=C1)OCC1=N[N-]N=N1	REAL250004673886	0	33	-1.0	-38.09	296.50	6.92	-31.17
O=C(CSC1=CC=C2CCCC2=C1)OCC1=NN=N[N-]1	REAL250004673886	1	33	-1.0	-38.09	296.56	6.93	-31.16
CC1=NOC(C(C)C)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673887	0	30	-1.0	-37.04	272.96	4.12	-32.92
CC1=NOC(C(C)C)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673887	1	30	-1.0	-37.04	273.02	4.13	-32.91
COC1=CC=C(OC)C(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673888	0	33	-1.0	-41.85	290.21	3.19	-38.66
COC1=CC=C(OC)C(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673888	1	33	-1.0	-41.86	290.27	3.21	-38.65
CCOC1=CC=CC=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004673889	0	35	-1.0	-39.34	303.98	5.65	-33.69
CCOC1=CC=CC=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004673889	1	35	-1.0	-39.37	304.04	5.66	-33.71
CC(C)(C)C1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673890	0	40	-1.0	-37.19	330.01	7.69	-29.50
CC(C)(C)C1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673890	1	40	-1.0	-37.21	330.07	7.70	-29.51
CC1(C)NC(=O)N(CCCC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004673891	0	36	-1.0	-44.89	317.23	1.67	-43.22
CC1(C)NC(=O)N(CCCC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004673891	1	36	-1.0	-44.91	317.29	1.69	-43.22
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C12	REAL250004673892	0	32	-1.0	-41.14	279.94	5.30	-35.84
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C12	REAL250004673892	1	32	-1.0	-41.16	279.88	5.28	-35.88
O=C(OCC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CS1	REAL250004673893	0	29	-1.0	-38.92	277.30	6.30	-32.62
O=C(OCC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=CS1	REAL250004673893	1	29	-1.0	-38.91	277.36	6.31	-32.60
CC(=O)NCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673894	0	32	-1.0	-42.41	292.47	2.80	-39.61
CC(=O)NCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673894	1	32	-1.0	-42.43	292.53	2.81	-39.62
CCC1=NOC(CCCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004673895	0	32	-1.0	-42.58	288.37	2.34	-40.24
CCC1=NOC(CCCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004673895	1	32	-1.0	-42.57	288.43	2.36	-40.21
CCCC1=NOC(CCCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004673896	0	35	-1.0	-42.39	309.87	3.11	-39.28
CCCC1=NOC(CCCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004673896	1	35	-1.0	-42.39	309.92	3.12	-39.27
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL250004673897	0	28	-1.0	-47.72	269.30	4.43	-43.29
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL250004673897	1	28	-1.0	-47.71	269.36	4.44	-43.27
O=C(CCC(=O)C1=CC=C(F)C=C1F)OCC1=N[N-]N=N1	REAL250004673898	0	30	-1.0	-41.89	284.98	5.34	-36.55
O=C(CCC(=O)C1=CC=C(F)C=C1F)OCC1=NN=N[N-]1	REAL250004673898	1	30	-1.0	-41.93	285.04	5.35	-36.58
CC(C)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673899	0	31	-1.0	-37.53	279.43	2.35	-35.18
CC(C)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673899	1	31	-1.0	-37.52	279.37	2.33	-35.19
CC1=NN(C)C2=NC(C)=C(C(=O)OCC3=N[N-]N=N3)C=C12	REAL250004673900	0	33	-1.0	-37.59	292.95	4.03	-33.56
CC1=NN(C)C2=NC(C)=C(C(=O)OCC3=NN=N[N-]3)C=C12	REAL250004673900	1	33	-1.0	-37.59	293.00	4.04	-33.55
CC(C)(C)N1C=C(C(=O)C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673901	0	33	-1.0	-41.43	294.00	3.89	-37.54
CC(C)(C)N1C=C(C(=O)C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673901	1	33	-1.0	-41.40	294.06	3.90	-37.50
COC1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004673902	0	30	-1.0	-41.16	270.82	3.34	-37.82
COC1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004673902	1	30	-1.0	-41.15	270.88	3.35	-37.80
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004673903	0	31	-1.0	-37.25	282.05	5.97	-31.28
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004673903	1	31	-1.0	-37.22	282.10	5.98	-31.24
O=C(CCC1=CC2=CC=CC=C2C=C1)OCC1=N[N-]N=N1	REAL250004673904	0	34	-1.0	-38.91	299.93	7.61	-31.30
O=C(CCC1=CC2=CC=CC=C2C=C1)OCC1=NN=N[N-]1	REAL250004673904	1	34	-1.0	-38.91	299.99	7.63	-31.28
CCC(=O)NC(CCSC)C(=O)OCC1=N[N-]N=N1	REAL250004673905	0	35	-1.0	-38.89	310.47	2.73	-36.16
CCC(=O)NC(CCSC)C(=O)OCC1=NN=N[N-]1	REAL250004673905	1	35	-1.0	-38.87	310.53	2.75	-36.12
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL250004673906	0	34	-1.0	-46.36	302.14	4.53	-41.83
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL250004673906	1	34	-1.0	-46.33	302.19	4.54	-41.79
O=C(CCN1C=C(Cl)C=N1)OCC1=NN=N[N-]1	REAL250004673907	0	25	-1.0	-38.20	251.93	3.06	-35.14
O=C(CCN1C=C(Cl)C=N1)OCC1=N[N-]N=N1	REAL250004673907	1	25	-1.0	-38.22	251.87	3.05	-35.17
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL250004673908	0	28	-1.0	-42.35	270.82	3.48	-38.87
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL250004673908	1	28	-1.0	-42.35	270.88	3.49	-38.86
N#CCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673909	0	30	-1.0	-43.41	283.13	4.57	-38.84
N#CCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673909	1	30	-1.0	-43.43	283.19	4.59	-38.84
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OC1CCCC1	REAL250004673910	0	36	-1.0	-44.17	302.20	6.70	-37.47
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OC1CCCC1	REAL250004673910	1	36	-1.0	-44.18	302.26	6.72	-37.46
O=C(CN1C(=O)CCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004673911	0	33	-1.0	-44.41	287.57	5.27	-39.14
O=C(CN1C(=O)CCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004673911	1	33	-1.0	-44.41	287.62	5.29	-39.12
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)N1	REAL250004673912	0	30	-1.0	-39.67	274.42	5.09	-34.58
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)N1	REAL250004673912	1	30	-1.0	-39.66	274.48	5.10	-34.56
COCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673913	0	33	-1.0	-40.11	295.17	3.29	-36.82
COCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673913	1	33	-1.0	-40.12	295.22	3.31	-36.81
CC(CSC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673914	0	32	-1.0	-37.07	291.16	6.38	-30.69
CC(CSC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673914	1	32	-1.0	-37.09	291.22	6.39	-30.70
CC(C)CCC(=O)NCC(=O)OCC1=N[N-]N=N1	REAL250004673915	0	34	-1.0	-38.47	291.94	2.11	-36.36
CC(C)CCC(=O)NCC(=O)OCC1=NN=N[N-]1	REAL250004673915	1	34	-1.0	-38.52	291.99	2.12	-36.40
CCC(SC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673916	0	32	-1.0	-38.01	289.30	6.35	-31.66
CCC(SC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673916	1	32	-1.0	-37.98	289.36	6.36	-31.62
O=C(OCC1=NN=N[N-]1)C1=CN(C2CCCCC2)N=C1	REAL250004673917	0	35	-1.0	-39.67	296.45	4.86	-34.81
O=C(OCC1=N[N-]N=N1)C1=CN(C2CCCCC2)N=C1	REAL250004673917	1	35	-1.0	-39.66	296.39	4.85	-34.81
O=C(OCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL250004673918	0	28	-1.0	-45.37	264.33	2.04	-43.33
O=C(OCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)OC=N1	REAL250004673918	1	28	-1.0	-45.38	264.27	2.02	-43.36
O=C(CC1CCC2=CC=CC=C2C1)OCC1=N[N-]N=N1	REAL250004673919	0	35	-1.0	-39.18	290.57	6.88	-32.30
O=C(CC1CCC2=CC=CC=C2C1)OCC1=NN=N[N-]1	REAL250004673919	1	35	-1.0	-39.15	290.63	6.89	-32.26
CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004673920	0	32	-1.0	-38.30	281.59	4.75	-33.55
CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004673920	1	32	-1.0	-38.31	281.65	4.77	-33.54
CC1=CC=CC=C1N1C=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673921	0	32	-1.0	-40.75	286.21	5.96	-34.79
CC1=CC=CC=C1N1C=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673921	1	32	-1.0	-40.79	286.16	5.95	-34.84
CCCN(CCC)C(=O)CCCC(=O)OCC1=N[N-]N=N1	REAL250004673922	0	43	-1.0	-45.44	356.06	6.07	-39.37
CCCN(CCC)C(=O)CCCC(=O)OCC1=NN=N[N-]1	REAL250004673922	1	43	-1.0	-45.47	356.11	6.08	-39.39
CC(C)NC(=O)CCCC(=O)OCC1=N[N-]N=N1	REAL250004673923	0	34	-1.0	-46.11	295.62	2.32	-43.79
CC(C)NC(=O)CCCC(=O)OCC1=NN=N[N-]1	REAL250004673923	1	34	-1.0	-46.16	295.68	2.34	-43.82
CCOC1=NC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673924	0	28	-1.0	-35.08	275.34	2.01	-33.07
CCOC1=NC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673924	1	28	-1.0	-35.05	275.28	1.99	-33.06
COC1=C(C(=O)OCC2=N[N-]N=N2)C(C)=NN1C	REAL250004673925	0	29	-1.0	-41.03	269.74	1.02	-40.01
COC1=C(C(=O)OCC2=NN=N[N-]2)C(C)=NN1C	REAL250004673925	1	29	-1.0	-41.05	269.80	1.03	-40.02
CCC(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673926	0	34	-1.0	-37.27	286.20	6.55	-30.72
CCC(CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673926	1	34	-1.0	-37.26	286.26	6.57	-30.69
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673927	0	32	-1.0	-36.36	286.90	5.43	-30.93
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673927	1	32	-1.0	-36.34	286.96	5.45	-30.89
CC1CCCC(OCC(=O)OCC2=N[N-]N=N2)C1	REAL250004673928	0	35	-1.0	-39.09	287.63	4.85	-34.24
CC1CCCC(OCC(=O)OCC2=NN=N[N-]2)C1	REAL250004673928	1	35	-1.0	-39.07	287.69	4.87	-34.20
CC(C)(CCCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673929	0	40	-1.0	-38.24	330.24	7.84	-30.40
CC(C)(CCCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673929	1	40	-1.0	-38.25	330.30	7.86	-30.39
COC1=CC=CC=C1CC(C)(C)C(=O)OCC1=N[N-]N=N1	REAL250004673930	0	38	-1.0	-39.08	310.51	5.74	-33.34
COC1=CC=CC=C1CC(C)(C)C(=O)OCC1=NN=N[N-]1	REAL250004673930	1	38	-1.0	-39.06	310.57	5.76	-33.30
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004673931	0	28	-1.0	-37.13	255.88	5.12	-32.01
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004673931	1	28	-1.0	-37.16	255.94	5.13	-32.03
CNC(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673932	0	29	-1.0	-46.46	266.71	2.06	-44.40
CNC(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673932	1	29	-1.0	-46.46	266.77	2.07	-44.39
O=C(CCC(=O)C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673933	0	30	-1.0	-40.27	274.04	5.19	-35.08
O=C(CCC(=O)C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673933	1	30	-1.0	-40.24	274.10	5.20	-35.04
CSC1=NC(C(=O)OCC2=NN=N[N-]2)=C2C=CC=CN12	REAL250004673934	0	29	-1.0	-51.38	279.35	5.25	-46.13
CSC1=NC(C(=O)OCC2=N[N-]N=N2)=C2C=CC=CN12	REAL250004673934	1	29	-1.0	-51.39	279.29	5.23	-46.16
O=C(OCC1=NN=N[N-]1)C1=CN=C2C=CSC2=C1	REAL250004673935	0	24	-1.0	-39.23	242.00	3.22	-36.01
O=C(OCC1=N[N-]N=N1)C1=CN=C2C=CSC2=C1	REAL250004673935	1	24	-1.0	-39.22	241.94	3.21	-36.01
CN1C(C(=O)OCC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL250004673936	0	33	-1.0	-39.21	286.63	6.47	-32.74
CN1C(C(=O)OCC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL250004673936	1	33	-1.0	-39.19	286.69	6.48	-32.71
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL250004673937	0	31	-1.0	-40.05	279.10	7.26	-32.79
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL250004673937	1	31	-1.0	-40.07	279.05	7.24	-32.83
CC1=CC(N2C=NC=N2)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673938	0	31	-1.0	-40.13	279.50	6.85	-33.28
CC1=CC(N2C=NC=N2)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673938	1	31	-1.0	-40.11	279.45	6.83	-33.28
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004673939	0	37	-1.0	-40.36	311.10	7.72	-32.64
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004673939	1	37	-1.0	-40.36	311.15	7.73	-32.63
O=C(OCC1=N[N-]N=N1)C1CCSC2=CC=CC=C21	REAL250004673940	0	30	-1.0	-38.78	269.64	5.89	-32.89
O=C(OCC1=NN=N[N-]1)C1CCSC2=CC=CC=C21	REAL250004673940	1	30	-1.0	-38.75	269.70	5.90	-32.85
CCCCCCC(C)(CC)C(=O)OCC1=N[N-]N=N1	REAL250004673941	0	42	-1.0	-37.83	329.27	6.94	-30.89
CCCCCCC(C)(CC)C(=O)OCC1=NN=N[N-]1	REAL250004673941	1	42	-1.0	-37.80	329.33	6.95	-30.85
CCOC(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004673942	0	31	-1.0	-40.26	294.13	2.44	-37.82
CCOC(C)C1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004673942	1	31	-1.0	-40.25	294.19	2.46	-37.79
CC(C)(OC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004673943	0	32	-1.0	-38.48	270.26	4.89	-33.59
CC(C)(OC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004673943	1	32	-1.0	-38.48	270.31	4.91	-33.57
NC(=O)CN1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004673944	0	25	-1.0	-58.13	246.66	-2.80	-60.93
NC(=O)CN1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004673944	1	25	-1.0	-58.14	246.60	-2.82	-60.96
O=C(OCC1=N[N-]N=N1)C1SCCC2=CC=CC=C21	REAL250004673945	0	30	-1.0	-42.19	270.11	5.95	-36.24
O=C(OCC1=NN=N[N-]1)C1SCCC2=CC=CC=C21	REAL250004673945	1	30	-1.0	-42.18	270.17	5.96	-36.22
O=C(CCC1=NN=CN1C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004673946	0	34	-1.0	-42.17	305.27	7.58	-34.59
O=C(CCC1=NN=CN1C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004673946	1	34	-1.0	-42.19	305.32	7.59	-34.60
CCCOC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673947	0	38	-1.0	-38.20	326.67	6.39	-31.81
CCCOC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673947	1	38	-1.0	-38.21	326.72	6.41	-31.80
O=C(OCC1=N[N-]N=N1)C1CCC(C2=CC=CC=C2)CC1	REAL250004673948	0	38	-1.0	-40.44	305.45	7.39	-33.05
O=C(OCC1=NN=N[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL250004673948	1	38	-1.0	-40.43	305.51	7.41	-33.02
CC(C)NC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673949	0	35	-1.0	-39.95	308.80	3.72	-36.23
CC(C)NC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673949	1	35	-1.0	-39.96	308.86	3.74	-36.22
CCC1=NN(C)C(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673950	0	28	-1.0	-39.42	273.85	3.29	-36.13
CCC1=NN(C)C(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673950	1	28	-1.0	-39.42	273.91	3.31	-36.11
CC(C)CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1CC1	REAL250004673951	0	38	-1.0	-41.37	314.29	5.27	-36.10
CC(C)CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1CC1	REAL250004673951	1	38	-1.0	-41.38	314.35	5.28	-36.10
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CS2)=N1	REAL250004673952	0	29	-1.0	-41.29	279.68	4.16	-37.13
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CS2)=N1	REAL250004673952	1	29	-1.0	-41.32	279.63	4.14	-37.18
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004673953	0	28	-1.0	-47.33	264.90	5.51	-41.82
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=N1	REAL250004673953	1	28	-1.0	-47.36	264.84	5.50	-41.86
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C(C)(C)C)=N1	REAL250004673954	0	34	-1.0	-38.79	283.63	3.72	-35.07
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C(C)(C)C)=N1	REAL250004673954	1	34	-1.0	-38.77	283.58	3.70	-35.07
COC1=CC2=NC(C)=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004673955	0	34	-1.0	-38.95	297.22	3.98	-34.97
COC1=CC2=NC(C)=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004673955	1	34	-1.0	-38.94	297.28	4.00	-34.94
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C=C1	REAL250004673956	0	29	-1.0	-40.27	266.08	6.16	-34.11
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C=C1	REAL250004673956	1	29	-1.0	-40.28	266.14	6.18	-34.10
COC1=CC2=CC(C(=O)OCC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004673957	0	34	-1.0	-39.62	297.16	3.97	-35.65
COC1=CC2=CC(C(=O)OCC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004673957	1	34	-1.0	-39.66	297.22	3.98	-35.68
COC1=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)N=C2C=C1	REAL250004673958	0	31	-1.0	-44.66	281.70	3.43	-41.23
COC1=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)N=C2C=C1	REAL250004673958	1	31	-1.0	-44.67	281.64	3.42	-41.25
COCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673959	0	32	-1.0	-39.00	292.92	0.72	-38.28
COCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673959	1	32	-1.0	-39.02	292.86	0.70	-38.32
CC(C)OC1=NC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673960	0	31	-1.0	-35.25	295.48	2.92	-32.33
CC(C)OC1=NC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673960	1	31	-1.0	-35.23	295.42	2.90	-32.33
COCCOC1=NC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673961	0	32	-1.0	-44.51	290.83	1.43	-43.08
COCCOC1=NC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673961	1	32	-1.0	-44.55	290.78	1.41	-43.14
O=C(OCC1=NN=N[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL250004673962	0	32	-1.0	-37.33	290.97	3.03	-34.30
O=C(OCC1=N[N-]N=N1)C1=CC=C(OCC2CC2)N=C1	REAL250004673962	1	32	-1.0	-37.34	290.91	3.01	-34.33
CCCCN(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673963	0	39	-1.0	-40.77	326.03	6.63	-34.14
CCCCN(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673963	1	39	-1.0	-40.74	326.08	6.65	-34.09
CCN(C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1)C(C)C	REAL250004673964	0	39	-1.0	-40.32	315.41	6.31	-34.01
CCN(C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1)C(C)C	REAL250004673964	1	39	-1.0	-40.30	315.47	6.32	-33.98
CC(C)COC1=NC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004673965	0	34	-1.0	-41.89	298.81	3.66	-38.23
CC(C)COC1=NC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004673965	1	34	-1.0	-41.89	298.76	3.65	-38.24
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2CCCC2)C(F)=C1	REAL250004673966	0	34	-1.0	-40.22	290.48	4.17	-36.05
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL250004673966	1	34	-1.0	-40.22	290.54	4.18	-36.04
CN1C=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673967	0	28	-1.0	-44.52	258.64	5.11	-39.41
CN1C=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673967	1	28	-1.0	-44.52	258.59	5.09	-39.43
O=C(OCC1=NN=N[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL250004673968	0	32	-1.0	-36.83	285.80	3.03	-33.80
O=C(OCC1=N[N-]N=N1)C1=CC=NC(OC2CCC2)=C1	REAL250004673968	1	32	-1.0	-36.86	285.74	3.02	-33.84
O=C(OCC1=N[N-]N=N1)C1CCCN(CC(F)(F)F)C1	REAL250004673969	0	33	-1.0	-38.96	286.57	2.87	-36.09
O=C(OCC1=NN=N[N-]1)C1CCCN(CC(F)(F)F)C1	REAL250004673969	1	33	-1.0	-38.95	286.63	2.89	-36.06
O=C(OCC1=NN=N[N-]1)C1=CC=CN=C1OCC(F)F	REAL250004673970	0	28	-1.0	-47.00	270.22	2.50	-44.50
O=C(OCC1=N[N-]N=N1)C1=CC=CN=C1OCC(F)F	REAL250004673970	1	28	-1.0	-47.00	270.16	2.49	-44.51
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CC1	REAL250004673971	0	32	-1.0	-40.31	267.50	6.32	-33.99
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CC1	REAL250004673971	1	32	-1.0	-40.31	267.55	6.34	-33.97
CN1C=C(Br)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004673972	0	23	-1.0	-36.48	236.15	3.90	-32.58
CN1C=C(Br)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004673972	1	23	-1.0	-36.44	236.21	3.92	-32.52
C=CCC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673973	0	32	-1.0	-37.63	282.37	6.30	-31.33
C=CCC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673973	1	32	-1.0	-37.62	282.43	6.31	-31.31
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)OCC1=NN=N[N-]1	REAL250004673974	0	32	-1.0	-48.67	291.10	4.10	-44.57
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)OCC1=N[N-]N=N1	REAL250004673974	1	32	-1.0	-48.77	291.03	4.08	-44.69
CC(NC(=O)CC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004673975	0	37	-1.0	-37.49	305.26	2.77	-34.72
CC(NC(=O)CC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004673975	1	37	-1.0	-37.48	305.32	2.79	-34.69
O=C(CCCCCC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004673976	0	37	-1.0	-39.15	324.71	7.78	-31.37
O=C(CCCCCC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004673976	1	37	-1.0	-39.15	324.77	7.79	-31.36
CCOC1=CN=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673977	0	27	-1.0	-39.41	254.92	-0.46	-39.87
CCOC1=CN=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673977	1	27	-1.0	-39.44	254.86	-0.47	-39.91
N#CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004673978	0	23	-1.0	-35.56	246.45	4.58	-30.98
N#CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004673978	1	23	-1.0	-35.53	246.51	4.59	-30.94
C=CCCC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004673979	0	35	-1.0	-37.86	304.61	7.09	-30.77
C=CCCC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004673979	1	35	-1.0	-37.87	304.67	7.10	-30.77
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004673980	0	24	-1.0	-36.68	243.92	3.06	-33.62
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004673980	1	24	-1.0	-36.66	243.97	3.07	-33.59
COC1C2CC3CC1CC(C(=O)OCC1=N[N-]N=N1)(C3)C2	REAL250004673981	0	40	-1.0	-40.48	305.24	4.91	-35.57
COC1C2CC3CC1CC(C(=O)OCC1=NN=N[N-]1)(C3)C2	REAL250004673981	1	40	-1.0	-40.44	305.30	4.92	-35.52
CN1C=C(C2=NN(C)C=C2C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004673982	0	32	-1.0	-45.07	292.34	2.77	-42.30
CN1C=C(C2=NN(C)C=C2C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004673982	1	32	-1.0	-45.09	292.28	2.76	-42.33
CC1C(=O)CCC(C(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004673983	0	36	-1.0	-38.15	279.82	4.43	-33.72
CC1C(=O)CCC(C(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004673983	1	36	-1.0	-38.15	279.88	4.44	-33.71
O=C(OCC1=N[N-]N=N1)C1=CNN=C1C1=CSC=C1	REAL250004673984	0	26	-1.0	-39.48	256.06	2.68	-36.80
O=C(OCC1=NN=N[N-]1)C1=CNN=C1C1=CSC=C1	REAL250004673984	1	26	-1.0	-39.44	256.11	2.70	-36.74
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL250004673985	0	36	-1.0	-43.33	307.28	3.61	-39.72
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCC1=NN=N[N-]1	REAL250004673985	1	36	-1.0	-43.37	307.34	3.63	-39.74
O=C(OCC1=N[N-]N=N1)C1=NOC2=C1CCCCC2	REAL250004673986	0	31	-1.0	-42.56	261.72	4.21	-38.35
O=C(OCC1=NN=N[N-]1)C1=NOC2=C1CCCCC2	REAL250004673986	1	31	-1.0	-42.55	261.78	4.23	-38.32
CC(=O)[C@@H]1C[C@H](C(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004673987	0	33	-1.0	-43.30	272.30	4.37	-38.93
CC(=O)[C@@H]1C[C@H](C(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004673987	1	33	-1.0	-43.30	272.36	4.39	-38.91
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL250004673988	0	24	-1.0	-33.80	254.57	2.60	-31.20
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL250004673988	1	24	-1.0	-33.82	254.63	2.62	-31.20
COCCOCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673989	0	36	-1.0	-42.17	320.82	3.74	-38.43
COCCOCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673989	1	36	-1.0	-42.17	320.88	3.76	-38.41
CN1C=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004673990	0	28	-1.0	-44.52	258.64	5.11	-39.41
CN1C=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004673990	1	28	-1.0	-44.52	258.59	5.09	-39.43
CC(C)(C)N1C=NC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004673991	0	30	-1.0	-46.88	268.83	4.10	-42.78
CC(C)(C)N1C=NC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004673991	1	30	-1.0	-46.86	268.77	4.09	-42.77
O=C(OCC1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL250004673992	0	27	-1.0	-44.65	246.30	1.04	-43.61
O=C(OCC1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL250004673992	1	27	-1.0	-44.73	246.25	1.03	-43.70
CCN1N=C(C)C(CC(=O)OCC2=N[N-]N=N2)=C1C	REAL250004673993	0	34	-1.0	-41.84	296.12	4.22	-37.62
CCN1N=C(C)C(CC(=O)OCC2=NN=N[N-]2)=C1C	REAL250004673993	1	34	-1.0	-41.86	296.17	4.24	-37.62
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004673994	0	27	-1.0	-43.45	257.88	4.26	-39.19
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2N=C1	REAL250004673994	1	27	-1.0	-43.45	257.82	4.25	-39.20
CC1=NN(C(C)C)C(C)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004673995	0	37	-1.0	-41.99	315.86	4.89	-37.10
CC1=NN(C(C)C)C(C)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004673995	1	37	-1.0	-41.97	315.92	4.90	-37.07
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004673996	0	31	-1.0	-38.92	275.52	3.71	-35.21
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004673996	1	31	-1.0	-38.90	275.58	3.73	-35.17
CC1=C(C(=O)OCC2=N[N-]N=N2)OC(C(C)C)=N1	REAL250004673997	0	30	-1.0	-39.46	269.55	1.19	-38.27
CC1=C(C(=O)OCC2=NN=N[N-]2)OC(C(C)C)=N1	REAL250004673997	1	30	-1.0	-39.49	269.61	1.20	-38.29
CC(F)(F)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004673998	0	28	-1.0	-37.63	263.44	5.31	-32.32
CC(F)(F)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004673998	1	28	-1.0	-37.63	263.50	5.33	-32.30
O=C(OCC1=N[N-]N=N1)C1=CNC(C(F)(F)F)=C1	REAL250004673999	0	23	-1.0	-37.94	237.81	2.72	-35.22
O=C(OCC1=NN=N[N-]1)C1=CNC(C(F)(F)F)=C1	REAL250004673999	1	23	-1.0	-37.92	237.86	2.73	-35.19
O=C(CCN1C=NC=CC1=O)OCC1=NN=N[N-]1	REAL250004674000	0	27	-1.0	-45.27	252.66	3.37	-41.90
O=C(CCN1C=NC=CC1=O)OCC1=N[N-]N=N1	REAL250004674000	1	27	-1.0	-45.27	252.60	3.35	-41.92
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)N1	REAL250004674001	0	26	-1.0	-37.11	253.72	2.10	-35.01
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)N1	REAL250004674001	1	26	-1.0	-37.08	253.77	2.11	-34.97
CC(C)OC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674002	0	35	-1.0	-38.67	300.98	5.80	-32.87
CC(C)OC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674002	1	35	-1.0	-38.65	301.04	5.82	-32.83
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674003	0	41	-1.0	-35.97	325.92	2.71	-33.26
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674003	1	41	-1.0	-35.97	325.97	2.72	-33.25
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004674004	0	33	-1.0	-49.56	278.98	6.13	-43.43
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250004674004	1	33	-1.0	-49.55	279.04	6.14	-43.41
CC(C(=O)OCC1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL250004674005	0	33	-1.0	-40.66	290.40	5.04	-35.62
CC(C(=O)OCC1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL250004674005	1	33	-1.0	-40.67	290.46	5.06	-35.61
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004674006	0	34	-1.0	-41.17	291.36	4.12	-37.05
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004674006	1	34	-1.0	-41.14	291.42	4.13	-37.01
CCCC1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004674007	0	30	-1.0	-39.09	270.23	1.36	-37.73
CCCC1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004674007	1	30	-1.0	-39.10	270.29	1.38	-37.72
CC1=C(C(=O)OCC2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL250004674008	0	29	-1.0	-40.72	283.89	6.10	-34.62
CC1=C(C(=O)OCC2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL250004674008	1	29	-1.0	-40.70	283.95	6.12	-34.58
CC(C(=O)N(C)CC(=O)OCC1=NN=N[N-]1)N1C=CC=N1	REAL250004674009	0	35	-1.0	-42.88	303.56	2.93	-39.95
CC(C(=O)N(C)CC(=O)OCC1=N[N-]N=N1)N1C=CC=N1	REAL250004674009	1	35	-1.0	-42.90	303.50	2.92	-39.98
CC1=CC(C=CC(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004674010	0	29	-1.0	-38.45	268.87	5.73	-32.72
CC1=CC(C=CC(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004674010	1	29	-1.0	-38.44	268.93	5.74	-32.70
CN(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674011	0	30	-1.0	-36.49	270.96	3.33	-33.16
CN(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674011	1	30	-1.0	-36.51	271.02	3.35	-33.16
CC1=NN=NN1C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674012	0	30	-1.0	-40.01	277.57	3.81	-36.20
CC1=NN=NN1C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674012	1	30	-1.0	-39.99	277.63	3.82	-36.17
CC1=NN(CC2CC2)C(C)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674013	0	38	-1.0	-41.38	326.73	5.73	-35.65
CC1=NN(CC2CC2)C(C)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674013	1	38	-1.0	-41.36	326.79	5.75	-35.61
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1OCCCO2	REAL250004674014	0	31	-1.0	-42.46	271.01	4.28	-38.18
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1OCCCO2	REAL250004674014	1	31	-1.0	-42.47	271.07	4.30	-38.17
O=C(OCC1=NN=N[N-]1)C1(N2C=NN=N2)CCCCC1	REAL250004674015	0	33	-1.0	-38.22	275.44	3.78	-34.44
O=C(OCC1=N[N-]N=N1)C1(N2C=NN=N2)CCCCC1	REAL250004674015	1	33	-1.0	-38.24	275.39	3.77	-34.47
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004674016	0	32	-1.0	-39.35	287.32	6.55	-32.80
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL250004674016	1	32	-1.0	-39.33	287.37	6.56	-32.77
CSC1=CC=CN=C1C(=O)OCC1=NN=N[N-]1	REAL250004674017	0	25	-1.0	-47.16	240.97	2.84	-44.32
CSC1=CC=CN=C1C(=O)OCC1=N[N-]N=N1	REAL250004674017	1	25	-1.0	-47.19	240.91	2.82	-44.37
O=C(OCC1=NN=N[N-]1)C1=NSC=C1Br	REAL250004674018	0	18	-1.0	-42.28	212.65	1.78	-40.50
O=C(OCC1=N[N-]N=N1)C1=NSC=C1Br	REAL250004674018	1	18	-1.0	-42.28	212.59	1.77	-40.51
O=C(OCC1=N[N-]N=N1)C(CC1CCCO1)C(F)(F)F	REAL250004674019	0	32	-1.0	-37.85	280.73	3.53	-34.32
O=C(OCC1=NN=N[N-]1)C(CC1CCCO1)C(F)(F)F	REAL250004674019	1	32	-1.0	-37.83	280.80	3.55	-34.28
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004674020	0	30	-1.0	-43.48	273.53	3.92	-39.56
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL250004674020	1	30	-1.0	-43.47	273.59	3.94	-39.53
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004674021	0	30	-1.0	-45.47	273.36	3.93	-41.54
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL250004674021	1	30	-1.0	-45.48	273.42	3.95	-41.53
O=C(CC1=CC=C2OC(F)(F)OC2=C1)OCC1=N[N-]N=N1	REAL250004674022	0	28	-1.0	-39.47	272.02	3.66	-35.81
O=C(CC1=CC=C2OC(F)(F)OC2=C1)OCC1=NN=N[N-]1	REAL250004674022	1	28	-1.0	-39.49	272.08	3.68	-35.81
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004674023	0	40	-1.0	-41.14	325.55	6.14	-35.00
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004674023	1	40	-1.0	-41.14	325.60	6.16	-34.98
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004674024	0	28	-1.0	-37.03	266.22	5.57	-31.46
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004674024	1	28	-1.0	-37.00	266.28	5.59	-31.41
COC(CC(=O)OCC1=N[N-]N=N1)C(F)(F)F	REAL250004674025	0	25	-1.0	-36.62	240.40	2.16	-34.46
COC(CC(=O)OCC1=NN=N[N-]1)C(F)(F)F	REAL250004674025	1	25	-1.0	-36.61	240.46	2.18	-34.43
O=C(CC1C2CC3CC(C2)CC1C3)OCC1=N[N-]N=N1	REAL250004674026	0	39	-1.0	-37.05	286.21	6.24	-30.81
O=C(CC1C2CC3CC(C2)CC1C3)OCC1=NN=N[N-]1	REAL250004674026	1	39	-1.0	-37.06	286.27	6.25	-30.81
O=C(OCC1=NN=N[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004674027	0	25	-1.0	-48.41	252.47	5.48	-42.93
O=C(OCC1=N[N-]N=N1)C1=C2C=CC(Cl)=CN2C=N1	REAL250004674027	1	25	-1.0	-48.37	252.41	5.47	-42.90
CS(=O)(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CO1	REAL250004674028	0	25	-1.0	-45.49	256.20	-0.59	-46.08
CS(=O)(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CO1	REAL250004674028	1	25	-1.0	-45.50	256.25	-0.57	-46.07
O=C(OCC1=N[N-]N=N1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL250004674029	0	33	-1.0	-37.70	292.36	6.53	-31.17
O=C(OCC1=NN=N[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL250004674029	1	33	-1.0	-37.72	292.42	6.54	-31.18
O=C(OCC1=N[N-]N=N1)C1=COC2=CC=C(Cl)C=C12	REAL250004674030	0	25	-1.0	-39.17	255.04	4.65	-34.52
O=C(OCC1=NN=N[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL250004674030	1	25	-1.0	-39.16	255.10	4.66	-34.50
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)C=N1	REAL250004674031	0	29	-1.0	-46.58	268.31	6.07	-40.51
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)C=N1	REAL250004674031	1	29	-1.0	-46.60	268.26	6.05	-40.55
O=C(OCC1=N[N-]N=N1)C1=CC2=CN=CC=C2C=C1	REAL250004674032	0	27	-1.0	-39.05	251.25	4.25	-34.80
O=C(OCC1=NN=N[N-]1)C1=CC2=CN=CC=C2C=C1	REAL250004674032	1	27	-1.0	-39.03	251.31	4.26	-34.77
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL250004674033	0	30	-1.0	-40.03	279.52	4.15	-35.88
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL250004674033	1	30	-1.0	-40.04	279.57	4.17	-35.87
CCC(CC)(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004674034	0	42	-1.0	-41.27	334.99	6.47	-34.80
CCC(CC)(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004674034	1	42	-1.0	-41.24	335.05	6.49	-34.75
CC(CC1=CC=C(C#N)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674035	0	32	-1.0	-39.34	291.15	6.21	-33.13
CC(CC1=CC=C(C#N)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674035	1	32	-1.0	-39.36	291.22	6.23	-33.13
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=NC(C2CC2)=C1	REAL250004674036	0	28	-1.0	-35.90	272.09	4.48	-31.42
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL250004674036	1	28	-1.0	-35.87	272.15	4.49	-31.38
O=C(CCCCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674037	0	34	-1.0	-38.08	296.80	6.93	-31.15
O=C(CCCCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674037	1	34	-1.0	-38.07	296.86	6.94	-31.13
O=C(CC1CCC2(CCC2)O1)OCC1=N[N-]N=N1	REAL250004674038	0	33	-1.0	-41.43	276.58	4.37	-37.06
O=C(CC1CCC2(CCC2)O1)OCC1=NN=N[N-]1	REAL250004674038	1	33	-1.0	-41.44	276.63	4.39	-37.05
O=C(OCC1=N[N-]N=N1)C1CCOC2(CCC2)C1	REAL250004674039	0	33	-1.0	-36.80	271.49	3.61	-33.19
O=C(OCC1=NN=N[N-]1)C1CCOC2(CCC2)C1	REAL250004674039	1	33	-1.0	-36.80	271.55	3.63	-33.17
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(Br)=N1	REAL250004674040	0	22	-1.0	-39.34	233.54	2.04	-37.30
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(Br)=N1	REAL250004674040	1	22	-1.0	-39.35	233.48	2.02	-37.33
CC1=NC(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2N1	REAL250004674041	0	30	-1.0	-48.51	277.59	2.02	-46.49
CC1=NC(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2N1	REAL250004674041	1	30	-1.0	-48.50	277.65	2.03	-46.47
O=C(OCC1=NN=N[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004674042	0	24	-1.0	-36.23	259.50	3.96	-32.27
O=C(OCC1=N[N-]N=N1)C1=CC2=C(Cl)C=NC=C2S1	REAL250004674042	1	24	-1.0	-36.25	259.44	3.95	-32.30
CC1=NC(C)=C(CC(=O)OCC2=N[N-]N=N2)S1	REAL250004674043	0	27	-1.0	-39.47	258.67	3.07	-36.40
CC1=NC(C)=C(CC(=O)OCC2=NN=N[N-]2)S1	REAL250004674043	1	27	-1.0	-39.44	258.72	3.08	-36.36
O=C(OCC1=N[N-]N=N1)C1=CC=CN=C1C(F)F	REAL250004674044	0	24	-1.0	-41.91	231.02	2.67	-39.24
O=C(OCC1=NN=N[N-]1)C1=CC=CN=C1C(F)F	REAL250004674044	1	24	-1.0	-41.92	231.07	2.69	-39.23
CCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004674045	0	35	-1.0	-41.41	309.86	5.84	-35.57
CCN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004674045	1	35	-1.0	-41.41	309.80	5.83	-35.58
COC(=O)C1=CC(C)=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004674046	0	28	-1.0	-40.10	267.38	3.35	-36.75
COC(=O)C1=CC(C)=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004674046	1	28	-1.0	-40.13	267.43	3.36	-36.77
O=C(CC1CCC2=C(C=CS2)C1=O)OCC1=N[N-]N=N1	REAL250004674047	0	31	-1.0	-48.11	282.78	6.01	-42.10
O=C(CC1CCC2=C(C=CS2)C1=O)OCC1=NN=N[N-]1	REAL250004674047	1	31	-1.0	-48.07	282.84	6.03	-42.04
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674048	0	32	-1.0	-38.64	280.74	6.67	-31.97
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674048	1	32	-1.0	-38.65	280.80	6.69	-31.96
CCN1C=C(Cl)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674049	0	26	-1.0	-36.57	252.84	4.67	-31.90
CCN1C=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674049	1	26	-1.0	-36.57	252.90	4.69	-31.88
NC1=C(Cl)C=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004674050	0	26	-1.0	-35.69	263.45	3.07	-32.62
NC1=C(Cl)C=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004674050	1	26	-1.0	-35.71	263.51	3.09	-32.62
CC1=CC=CC(C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)=C1	REAL250004674051	0	35	-1.0	-40.09	305.86	7.85	-32.24
CC1=CC=CC(C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)=C1	REAL250004674051	1	35	-1.0	-40.12	305.91	7.86	-32.26
O=C(CNC(=O)N1CCCC1)OCC1=N[N-]N=N1	REAL250004674052	0	31	-1.0	-40.17	270.79	1.24	-38.93
O=C(CNC(=O)N1CCCC1)OCC1=NN=N[N-]1	REAL250004674052	1	31	-1.0	-40.18	270.85	1.25	-38.93
O=C(OCC1=NN=N[N-]1)C1=NSC2=CC=CC=C21	REAL250004674053	0	24	-1.0	-44.12	239.47	3.70	-40.42
O=C(OCC1=N[N-]N=N1)C1=NSC2=CC=CC=C21	REAL250004674053	1	24	-1.0	-44.10	239.41	3.69	-40.41
O=C(OCC1=N[N-]N=N1)C1CC2(C1)CC(F)(F)C2	REAL250004674054	0	29	-1.0	-38.58	261.23	4.92	-33.66
O=C(OCC1=NN=N[N-]1)C1CC2(C1)CC(F)(F)C2	REAL250004674054	1	29	-1.0	-38.61	261.28	4.92	-33.69
O=C(CC1=COC2=C(F)C(F)=CC=C12)OCC1=N[N-]N=N1	REAL250004674055	0	28	-1.0	-41.01	273.03	5.06	-35.95
O=C(CC1=COC2=C(F)C(F)=CC=C12)OCC1=NN=N[N-]1	REAL250004674055	1	28	-1.0	-40.99	273.08	5.07	-35.92
CCSC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674056	0	32	-1.0	-40.66	291.35	6.33	-34.33
CCSC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674056	1	32	-1.0	-40.65	291.41	6.34	-34.31
O=C(CCC1=CC=C(F)N=C1)OCC1=NN=N[N-]1	REAL250004674057	0	27	-1.0	-39.78	255.13	3.54	-36.24
O=C(CCC1=CC=C(F)N=C1)OCC1=N[N-]N=N1	REAL250004674057	1	27	-1.0	-39.79	255.08	3.53	-36.26
CC(=O)NCC1(CC(=O)OCC2=N[N-]N=N2)CCCCC1	REAL250004674058	0	41	-1.0	-45.89	316.09	3.45	-42.44
CC(=O)NCC1(CC(=O)OCC2=NN=N[N-]2)CCCCC1	REAL250004674058	1	41	-1.0	-45.88	316.15	3.46	-42.42
CC1(C)CC(C(=O)OCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004674059	0	38	-1.0	-36.06	300.68	4.37	-31.69
CC1(C)CC(C(=O)OCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004674059	1	38	-1.0	-36.06	300.74	4.39	-31.67
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004674060	0	28	-1.0	-39.87	268.47	1.61	-38.26
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL250004674060	1	28	-1.0	-39.86	268.52	1.63	-38.23
CC(C)CC(=O)N1CCCCC1C(=O)OCC1=N[N-]N=N1	REAL250004674061	0	41	-1.0	-49.87	323.27	5.90	-43.97
CC(C)CC(=O)N1CCCCC1C(=O)OCC1=NN=N[N-]1	REAL250004674061	1	41	-1.0	-49.88	323.32	5.91	-43.97
O=C(OCC1=N[N-]N=N1)C12OC3C4COCC3C1C42	REAL250004674062	0	30	-1.0	-43.20	256.09	1.63	-41.57
O=C(OCC1=NN=N[N-]1)C12OC3C4COCC3C1C42	REAL250004674062	1	30	-1.0	-43.20	256.15	1.64	-41.56
O=C(OCC1=N[N-]N=N1)C1(C2CCCO2)CCOCC1	REAL250004674063	0	37	-1.0	-41.27	284.53	3.05	-38.22
O=C(OCC1=NN=N[N-]1)C1(C2CCCO2)CCOCC1	REAL250004674063	1	37	-1.0	-41.26	284.58	3.07	-38.19
O=C(OCC1=N[N-]N=N1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004674064	0	39	-1.0	-38.90	305.38	7.52	-31.38
O=C(OCC1=NN=N[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL250004674064	1	39	-1.0	-38.94	305.44	7.53	-31.41
O=C(C=CC1=CC2=CC=CN=C2C=C1)OCC1=N[N-]N=N1	REAL250004674065	0	31	-1.0	-42.75	283.33	5.39	-37.36
O=C(C=CC1=CC2=CC=CN=C2C=C1)OCC1=NN=N[N-]1	REAL250004674065	1	31	-1.0	-42.75	283.39	5.41	-37.34
COCCOCCN1C=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674066	0	36	-1.0	-46.20	324.52	1.76	-44.44
COCCOCCN1C=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674066	1	36	-1.0	-46.18	324.47	1.74	-44.44
COCCOCCN1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674067	0	36	-1.0	-43.35	320.34	1.74	-41.61
COCCOCCN1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674067	1	36	-1.0	-43.33	320.28	1.73	-41.60
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004674068	0	28	-1.0	-40.43	272.80	4.57	-35.86
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)N=C1	REAL250004674068	1	28	-1.0	-40.44	272.75	4.55	-35.89
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)OCC1=N[N-]N=N1	REAL250004674069	0	36	-1.0	-40.10	299.26	5.50	-34.60
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)OCC1=NN=N[N-]1	REAL250004674069	1	36	-1.0	-40.10	299.32	5.51	-34.59
CC(C(=O)OCC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL250004674070	0	34	-1.0	-39.26	296.09	6.48	-32.78
CC(C(=O)OCC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL250004674070	1	34	-1.0	-39.22	296.15	6.49	-32.73
O=C(OCC1=N[N-]N=N1)C1=CC=C(CC2CCC2)C=C1	REAL250004674071	0	35	-1.0	-38.88	301.35	7.30	-31.58
O=C(OCC1=NN=N[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL250004674071	1	35	-1.0	-38.90	301.40	7.32	-31.58
CCC(C)N1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674072	0	31	-1.0	-36.43	269.30	3.82	-32.61
CCC(C)N1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674072	1	31	-1.0	-36.40	269.25	3.80	-32.60
O=C(OCC1=NN=N[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL250004674073	0	27	-1.0	-44.41	253.42	4.23	-40.18
O=C(OCC1=N[N-]N=N1)C1=CN=CC2=CC=C(F)C=C21	REAL250004674073	1	27	-1.0	-44.44	253.36	4.21	-40.23
CC(C)OC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1Cl	REAL250004674074	0	32	-1.0	-40.88	291.36	5.06	-35.82
CC(C)OC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004674074	1	32	-1.0	-40.88	291.42	5.07	-35.81
O=C(CC1=CN=CC(Br)=C1)OCC1=NN=N[N-]1	REAL250004674075	0	24	-1.0	-38.22	248.64	3.40	-34.82
O=C(CC1=CN=CC(Br)=C1)OCC1=N[N-]N=N1	REAL250004674075	1	24	-1.0	-38.20	248.58	3.38	-34.82
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(=O)COC2=C1	REAL250004674076	0	28	-1.0	-39.60	260.94	1.02	-38.58
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(=O)COC2=C1	REAL250004674076	1	28	-1.0	-39.61	260.99	1.04	-38.57
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674077	0	26	-1.0	-37.68	245.90	3.16	-34.52
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674077	1	26	-1.0	-37.68	245.96	3.17	-34.51
O=C(CCNC(=O)C1=CSC=C1)OCC1=N[N-]N=N1	REAL250004674078	0	29	-1.0	-44.54	280.23	1.93	-42.61
O=C(CCNC(=O)C1=CSC=C1)OCC1=NN=N[N-]1	REAL250004674078	1	29	-1.0	-44.57	280.29	1.94	-42.63
O=C(CCCNC(=O)C1=CSC=C1)OCC1=N[N-]N=N1	REAL250004674079	0	32	-1.0	-43.01	301.73	2.72	-40.29
O=C(CCCNC(=O)C1=CSC=C1)OCC1=NN=N[N-]1	REAL250004674079	1	32	-1.0	-43.02	301.78	2.74	-40.28
O=C(CCC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004674080	0	28	-1.0	-37.46	260.22	5.44	-32.02
O=C(CCC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004674080	1	28	-1.0	-37.51	260.28	5.45	-32.06
CC1=C(C(=O)OCC2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL250004674081	0	28	-1.0	-39.88	274.14	5.39	-34.49
CC1=C(C(=O)OCC2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL250004674081	1	28	-1.0	-39.85	274.19	5.40	-34.45
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004674082	0	26	-1.0	-39.70	244.23	3.11	-36.59
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004674082	1	26	-1.0	-39.70	244.29	3.12	-36.58
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2S1	REAL250004674083	0	25	-1.0	-41.13	248.42	5.24	-35.89
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2S1	REAL250004674083	1	25	-1.0	-41.17	248.48	5.26	-35.91
CC(CC(=O)OCC1=N[N-]N=N1)NC(=O)C1=CC=CC=C1	REAL250004674084	0	35	-1.0	-44.41	308.25	4.12	-40.29
CC(CC(=O)OCC1=NN=N[N-]1)NC(=O)C1=CC=CC=C1	REAL250004674084	1	35	-1.0	-44.43	308.31	4.13	-40.30
CC(C)C1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674085	0	35	-1.0	-38.60	301.53	5.97	-32.63
CC(C)C1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674085	1	35	-1.0	-38.61	301.59	5.98	-32.63
CC(=O)NC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674086	0	32	-1.0	-44.87	288.77	3.45	-41.42
CC(=O)NC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674086	1	32	-1.0	-44.93	288.83	3.46	-41.47
CC(C)(C)C1=CC=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004674087	0	38	-1.0	-38.69	312.50	6.56	-32.13
CC(C)(C)C1=CC=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004674087	1	38	-1.0	-38.70	312.55	6.58	-32.12
CC1=CC2=NC(C(=O)OCC3=N[N-]N=N3)=CN2C=C1	REAL250004674088	0	28	-1.0	-50.24	260.32	4.92	-45.32
CC1=CC2=NC(C(=O)OCC3=NN=N[N-]3)=CN2C=C1	REAL250004674088	1	28	-1.0	-50.23	260.38	4.93	-45.30
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC2=C1OCCO2	REAL250004674089	0	32	-1.0	-39.98	283.89	2.79	-37.19
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC2=C1OCCO2	REAL250004674089	1	32	-1.0	-39.94	283.95	2.81	-37.13
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)C=C1	REAL250004674090	0	30	-1.0	-38.54	271.00	6.55	-31.99
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)C=C1	REAL250004674090	1	30	-1.0	-38.54	271.06	6.57	-31.97
CN1C=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004674091	0	29	-1.0	-43.78	264.38	5.50	-38.28
CN1C=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004674091	1	29	-1.0	-43.78	264.32	5.49	-38.29
CC1=C(C(=O)OCC2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL250004674092	0	28	-1.0	-40.88	266.86	5.73	-35.15
CC1=C(C(=O)OCC2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL250004674092	1	28	-1.0	-40.89	266.92	5.74	-35.15
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2S1	REAL250004674093	0	25	-1.0	-39.37	254.83	5.31	-34.06
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2S1	REAL250004674093	1	25	-1.0	-39.38	254.88	5.33	-34.05
CCC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674094	0	32	-1.0	-38.89	285.06	6.47	-32.42
CCC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674094	1	32	-1.0	-38.87	285.12	6.48	-32.39
O=C(CC1=CC=C(OC(F)F)C=C1)OCC1=N[N-]N=N1	REAL250004674095	0	29	-1.0	-41.22	271.67	4.14	-37.08
O=C(CC1=CC=C(OC(F)F)C=C1)OCC1=NN=N[N-]1	REAL250004674095	1	29	-1.0	-41.23	271.73	4.16	-37.07
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=CC=C2)=C1	REAL250004674096	0	30	-1.0	-39.45	271.13	6.55	-32.90
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=CC=C2)=C1	REAL250004674096	1	30	-1.0	-39.44	271.19	6.57	-32.87
O=C(CSC1=CC=C(F)C(F)=C1)OCC1=N[N-]N=N1	REAL250004674097	0	26	-1.0	-38.08	263.63	5.12	-32.96
O=C(CSC1=CC=C(F)C(F)=C1)OCC1=NN=N[N-]1	REAL250004674097	1	26	-1.0	-38.07	263.69	5.14	-32.93
COC1=CC=C(C)C=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674098	0	32	-1.0	-40.69	282.13	4.59	-36.10
COC1=CC=C(C)C=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674098	1	32	-1.0	-40.67	282.19	4.60	-36.07
CS(=O)C1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674099	0	27	-1.0	-38.95	257.72	2.26	-36.69
CS(=O)C1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674099	1	27	-1.0	-38.95	257.78	2.27	-36.68
COC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674100	0	28	-1.0	-46.61	265.77	4.50	-42.11
COC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674100	1	28	-1.0	-46.59	265.83	4.51	-42.08
CC(C)CC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674101	0	37	-1.0	-38.00	313.61	7.25	-30.75
CC(C)CC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674101	1	37	-1.0	-37.99	313.67	7.26	-30.73
O=C(CC1CCS(=O)(=O)C1)OCC1=N[N-]N=N1	REAL250004674102	0	28	-1.0	-47.76	254.91	0.16	-47.60
O=C(CC1CCS(=O)(=O)C1)OCC1=NN=N[N-]1	REAL250004674102	1	28	-1.0	-47.71	254.97	0.18	-47.53
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2CCCC2=O)=C1	REAL250004674103	0	33	-1.0	-50.92	288.07	4.90	-46.02
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2CCCC2=O)=C1	REAL250004674103	1	33	-1.0	-50.92	288.13	4.91	-46.01
CC(C)(C)OC(=O)NCCC(=O)OCC1=N[N-]N=N1	REAL250004674104	0	35	-1.0	-41.32	298.91	1.32	-40.00
CC(C)(C)OC(=O)NCCC(=O)OCC1=NN=N[N-]1	REAL250004674104	1	35	-1.0	-41.30	298.97	1.34	-39.96
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL250004674105	0	25	-1.0	-46.58	267.63	3.58	-43.00
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=CC=CS2)=N1	REAL250004674105	1	25	-1.0	-46.58	267.58	3.56	-43.02
CC1=CC=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004674106	0	36	-1.0	-40.49	312.40	6.39	-34.10
CC1=CC=C(C(=O)CCC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004674106	1	36	-1.0	-40.47	312.46	6.41	-34.06
O=C(OCC1=N[N-]N=N1)C1=CNC(C(=O)N2CCCC2)=C1	REAL250004674107	0	34	-1.0	-45.24	295.77	3.22	-42.02
O=C(OCC1=NN=N[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL250004674107	1	34	-1.0	-45.24	295.82	3.23	-42.01
CC1=NC(C(F)(F)F)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674108	0	27	-1.0	-34.45	262.03	3.60	-30.85
CC1=NC(C(F)(F)F)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674108	1	27	-1.0	-34.45	262.08	3.61	-30.84
CCC(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674109	0	35	-1.0	-47.60	290.44	3.72	-43.88
CCC(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674109	1	35	-1.0	-47.62	290.49	3.73	-43.89
O=C(CN1CCCCCCC1=O)OCC1=N[N-]N=N1	REAL250004674110	0	35	-1.0	-43.03	277.80	4.24	-38.79
O=C(CN1CCCCCCC1=O)OCC1=NN=N[N-]1	REAL250004674110	1	35	-1.0	-43.03	277.86	4.26	-38.77
COCCN1C=C(C(=O)OCC2=N[N-]N=N2)C=CC1=O	REAL250004674111	0	32	-1.0	-40.34	289.55	2.59	-37.75
COCCN1C=C(C(=O)OCC2=NN=N[N-]2)C=CC1=O	REAL250004674111	1	32	-1.0	-40.32	289.60	2.61	-37.71
O=C(CN1C=CC([N+](=O)[O-])=N1)OCC1=NN=N[N-]1	REAL250004674112	0	24	-1.0	-49.02	243.14	3.67	-45.35
O=C(CN1C=CC([N+](=O)[O-])=N1)OCC1=N[N-]N=N1	REAL250004674112	1	24	-1.0	-49.07	243.08	3.65	-45.42
CC1=NN2C(=C1)N=C(C)C=C2C(=O)OCC1=N[N-]N=N1	REAL250004674113	0	30	-1.0	-46.81	275.13	3.92	-42.89
CC1=NN2C(=C1)N=C(C)C=C2C(=O)OCC1=NN=N[N-]1	REAL250004674113	1	30	-1.0	-46.83	275.18	3.93	-42.90
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL250004674114	0	26	-1.0	-42.65	251.44	2.66	-39.99
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC2=NC=CN=C12	REAL250004674114	1	26	-1.0	-42.62	251.39	2.65	-39.97
CCSCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674115	0	32	-1.0	-39.66	297.86	6.55	-33.11
CCSCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674115	1	32	-1.0	-39.68	297.92	6.57	-33.11
COC(=O)COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674116	0	32	-1.0	-46.39	296.12	4.70	-41.69
COC(=O)COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674116	1	32	-1.0	-46.35	296.17	4.72	-41.63
CN1C(C(=O)OCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004674117	0	29	-1.0	-38.32	260.98	5.40	-32.92
CN1C(C(=O)OCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004674117	1	29	-1.0	-38.35	260.93	5.39	-32.96
CCCC(=O)N1CCCC1C(=O)OCC1=N[N-]N=N1	REAL250004674118	0	35	-1.0	-47.51	295.13	4.50	-43.01
CCCC(=O)N1CCCC1C(=O)OCC1=NN=N[N-]1	REAL250004674118	1	35	-1.0	-47.51	295.19	4.52	-42.99
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL250004674119	0	34	-1.0	-45.85	302.16	4.54	-41.31
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL250004674119	1	34	-1.0	-45.86	302.22	4.55	-41.31
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004674120	0	31	-1.0	-46.39	280.78	3.86	-42.53
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004674120	1	31	-1.0	-46.34	280.84	3.88	-42.46
CCCC(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674121	0	38	-1.0	-43.79	311.78	4.45	-39.34
CCCC(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674121	1	38	-1.0	-43.73	311.84	4.46	-39.27
O=C(CCOCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674122	0	32	-1.0	-37.85	287.83	4.66	-33.19
O=C(CCOCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674122	1	32	-1.0	-37.86	287.89	4.68	-33.18
CC(CC(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004674123	0	31	-1.0	-37.21	273.66	5.77	-31.44
CC(CC(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004674123	1	31	-1.0	-37.18	273.72	5.79	-31.39
O=C(OCC1=N[N-]N=N1)C1=CC=CN1CC1=CC=CS1	REAL250004674124	0	30	-1.0	-41.75	280.88	6.30	-35.45
O=C(OCC1=NN=N[N-]1)C1=CC=CN1CC1=CC=CS1	REAL250004674124	1	30	-1.0	-41.75	280.95	6.30	-35.45
O=C(CCN1CCCS1(=O)=O)OCC1=N[N-]N=N1	REAL250004674125	0	30	-1.0	-48.37	276.06	-0.11	-48.48
O=C(CCN1CCCS1(=O)=O)OCC1=NN=N[N-]1	REAL250004674125	1	30	-1.0	-48.39	276.12	-0.09	-48.48
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL250004674126	0	28	-1.0	-40.64	264.63	2.17	-38.47
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CN=CO2)C=C1	REAL250004674126	1	28	-1.0	-40.62	264.57	2.16	-38.46
CC1CCCCC1OCC(=O)OCC1=N[N-]N=N1	REAL250004674127	0	35	-1.0	-38.87	286.60	4.90	-33.97
CC1CCCCC1OCC(=O)OCC1=NN=N[N-]1	REAL250004674127	1	35	-1.0	-38.86	286.65	4.91	-33.95
CCC(OC1CCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674128	0	35	-1.0	-37.21	292.88	5.10	-32.11
CCC(OC1CCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674128	1	35	-1.0	-37.20	292.94	5.12	-32.08
CC1=NC(CCC(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674129	0	27	-1.0	-39.09	260.06	3.09	-36.00
CC1=NC(CCC(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674129	1	27	-1.0	-39.13	260.12	3.11	-36.02
O=C(OCC1=NN=N[N-]1)C1=NC=CC2=CC=CC=C21	REAL250004674130	0	27	-1.0	-46.10	246.95	4.10	-42.00
O=C(OCC1=N[N-]N=N1)C1=NC=CC2=CC=CC=C21	REAL250004674130	1	27	-1.0	-46.14	246.90	4.08	-42.06
CCC(=O)N1CCCCC1C(=O)OCC1=N[N-]N=N1	REAL250004674131	0	35	-1.0	-50.42	285.05	4.64	-45.78
CCC(=O)N1CCCCC1C(=O)OCC1=NN=N[N-]1	REAL250004674131	1	35	-1.0	-50.45	285.10	4.66	-45.79
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004674132	0	32	-1.0	-39.17	297.08	4.15	-35.02
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL250004674132	1	32	-1.0	-39.15	297.02	4.13	-35.02
CC(C)C(=O)N1CCCCC1C(=O)OCC1=N[N-]N=N1	REAL250004674133	0	38	-1.0	-50.40	303.43	5.11	-45.29
CC(C)C(=O)N1CCCCC1C(=O)OCC1=NN=N[N-]1	REAL250004674133	1	38	-1.0	-50.42	303.48	5.13	-45.29
CC(C)C(C(=O)OCC1=N[N-]N=N1)N1CCCC1=O	REAL250004674134	0	35	-1.0	-48.46	280.32	3.64	-44.82
CC(C)C(C(=O)OCC1=NN=N[N-]1)N1CCCC1=O	REAL250004674134	1	35	-1.0	-48.46	280.38	3.65	-44.81
CC1=C(Br)C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674135	0	25	-1.0	-36.75	244.17	4.84	-31.91
CC1=C(Br)C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674135	1	25	-1.0	-36.72	244.23	4.85	-31.87
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1CN1C=NC=N1	REAL250004674136	0	31	-1.0	-49.34	278.45	6.94	-42.40
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1CN1C=NC=N1	REAL250004674136	1	31	-1.0	-49.34	278.39	6.92	-42.42
O=C(CC1=CC(F)=CC=C1F)OCC1=N[N-]N=N1	REAL250004674137	0	25	-1.0	-38.74	244.27	4.66	-34.08
O=C(CC1=CC(F)=CC=C1F)OCC1=NN=N[N-]1	REAL250004674137	1	25	-1.0	-38.72	244.33	4.68	-34.04
CC(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674138	0	34	-1.0	-37.91	284.12	6.29	-31.62
CC(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674138	1	34	-1.0	-37.89	284.18	6.31	-31.58
CC(CSC(F)(F)F)C(=O)OCC1=N[N-]N=N1	REAL250004674139	0	25	-1.0	-35.07	255.42	3.96	-31.11
CC(CSC(F)(F)F)C(=O)OCC1=NN=N[N-]1	REAL250004674139	1	25	-1.0	-35.04	255.47	3.98	-31.06
CC(CCC1=CC=CC=C1F)C(=O)OCC1=N[N-]N=N1	REAL250004674140	0	34	-1.0	-39.92	298.19	6.68	-33.24
CC(CCC1=CC=CC=C1F)C(=O)OCC1=NN=N[N-]1	REAL250004674140	1	34	-1.0	-39.93	298.25	6.69	-33.24
O=C(OCC1=N[N-]N=N1)C1=CN(CC2=CC=CC=N2)N=N1	REAL250004674141	0	30	-1.0	-49.93	285.66	2.19	-47.74
O=C(OCC1=NN=N[N-]1)C1=CN(CC2=CC=CC=N2)N=N1	REAL250004674141	1	30	-1.0	-49.91	285.72	2.21	-47.70
CC(CCC1=CC=CC(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674142	0	34	-1.0	-39.37	299.04	6.71	-32.66
CC(CCC1=CC=CC(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674142	1	34	-1.0	-39.37	299.09	6.72	-32.65
CCC1=CC=C(C2=CC=C(C(=O)OCC3=N[N-]N=N3)O2)C=C1	REAL250004674143	0	35	-1.0	-43.53	314.65	7.07	-36.46
CCC1=CC=C(C2=CC=C(C(=O)OCC3=NN=N[N-]3)O2)C=C1	REAL250004674143	1	35	-1.0	-43.53	314.70	7.08	-36.45
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL250004674144	0	28	-1.0	-43.90	272.85	4.50	-39.40
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2=CSC=N2)=C1	REAL250004674144	1	28	-1.0	-43.92	272.79	4.48	-39.44
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL250004674145	0	34	-1.0	-37.64	299.35	4.77	-32.87
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL250004674145	1	34	-1.0	-37.65	299.40	4.78	-32.87
CCC(OC1CCCC(C)C1)C(=O)OCC1=N[N-]N=N1	REAL250004674146	0	41	-1.0	-37.21	325.73	6.30	-30.91
CCC(OC1CCCC(C)C1)C(=O)OCC1=NN=N[N-]1	REAL250004674146	1	41	-1.0	-37.19	325.78	6.31	-30.88
O=C(OCC1=N[N-]N=N1)C1=CC=CC(F)=C1Cl	REAL250004674147	0	22	-1.0	-38.59	228.67	4.22	-34.37
O=C(OCC1=NN=N[N-]1)C1=CC=CC(F)=C1Cl	REAL250004674147	1	22	-1.0	-38.59	228.73	4.23	-34.36
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2CCC2)C=C1	REAL250004674148	0	33	-1.0	-38.70	288.16	5.39	-33.31
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL250004674148	1	33	-1.0	-38.71	288.22	5.40	-33.31
O=C(CCCOC1=CC=CN=C1)OCC1=NN=N[N-]1	REAL250004674149	0	31	-1.0	-41.10	278.72	3.19	-37.91
O=C(CCCOC1=CC=CN=C1)OCC1=N[N-]N=N1	REAL250004674149	1	31	-1.0	-41.09	278.66	3.17	-37.92
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL250004674150	0	29	-1.0	-44.29	272.70	1.96	-42.33
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL250004674150	1	29	-1.0	-44.31	272.76	1.98	-42.33
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL250004674151	0	32	-1.0	-40.52	278.82	6.84	-33.68
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL250004674151	1	32	-1.0	-40.49	278.86	6.86	-33.63
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C(C)C	REAL250004674152	0	31	-1.0	-41.61	272.57	3.56	-38.05
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C(C)C	REAL250004674152	1	31	-1.0	-41.59	272.62	3.57	-38.02
O=C(CN1CCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674153	0	31	-1.0	-38.49	269.89	3.99	-34.50
O=C(CN1CCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674153	1	31	-1.0	-38.49	269.95	4.02	-34.47
O=C(OCC1=NN=N[N-]1)C1=NC=CC=C1C(F)(F)F	REAL250004674154	0	24	-1.0	-45.53	236.40	2.80	-42.73
O=C(OCC1=N[N-]N=N1)C1=NC=CC=C1C(F)(F)F	REAL250004674154	1	24	-1.0	-45.55	236.35	2.79	-42.76
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=CC(C)=CC=C2)N1	REAL250004674155	0	35	-1.0	-49.94	310.35	5.36	-44.58
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=CC(C)=CC=C2)N1	REAL250004674155	1	35	-1.0	-49.91	310.41	5.38	-44.53
CC1=C(C(=O)OCC2=N[N-]N=N2)NC(C2=CC(C)=CC=C2)=N1	REAL250004674155	1	35	-1.0	-38.23	310.54	5.36	-32.87
CC1=C(C(=O)OCC2=NN=N[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL250004674155	1	35	-1.0	-38.24	310.60	5.38	-32.86
CC(CC(=O)OCC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL250004674156	0	34	-1.0	-38.47	304.75	6.99	-31.48
CC(CC(=O)OCC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL250004674156	1	34	-1.0	-38.47	304.81	7.00	-31.47
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL250004674157	0	32	-1.0	-41.63	288.41	4.99	-36.64
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL250004674157	1	32	-1.0	-41.64	288.35	4.98	-36.66
COC1=C(C)C=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004674158	0	32	-1.0	-38.27	283.78	4.68	-33.59
COC1=C(C)C=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004674158	1	32	-1.0	-38.25	283.84	4.70	-33.55
CN1N=NN=C1SCC(=O)OCC1=NN=N[N-]1	REAL250004674159	0	24	-1.0	-40.39	245.69	1.16	-39.23
CN1N=NN=C1SCC(=O)OCC1=N[N-]N=N1	REAL250004674159	1	24	-1.0	-40.39	245.64	1.14	-39.25
O=C(OCC1=NN=N[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL250004674160	0	31	-1.0	-40.64	292.52	2.25	-38.39
O=C(OCC1=N[N-]N=N1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL250004674160	1	31	-1.0	-40.61	292.46	2.24	-38.37
CC(C)(C)OCC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674161	0	38	-1.0	-38.89	314.32	5.68	-33.21
CC(C)(C)OCC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674161	1	38	-1.0	-38.86	314.37	5.69	-33.17
CC1=CC(C)=C(CC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004674162	0	34	-1.0	-38.59	287.91	6.27	-32.32
CC1=CC(C)=C(CC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004674162	1	34	-1.0	-38.56	287.97	6.29	-32.27
COC(=O)C1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674163	0	34	-1.0	-38.85	289.36	4.76	-34.09
COC(=O)C1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674163	1	34	-1.0	-38.80	289.42	4.77	-34.03
CCN(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674164	0	36	-1.0	-38.27	301.29	4.63	-33.64
CCN(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674164	1	36	-1.0	-38.29	301.35	4.64	-33.65
CC1(C)OCC(C)(C(=O)OCC2=N[N-]N=N2)CO1	REAL250004674165	0	33	-1.0	-35.77	270.54	2.26	-33.51
CC1(C)OCC(C)(C(=O)OCC2=NN=N[N-]2)CO1	REAL250004674165	1	33	-1.0	-35.70	270.60	2.28	-33.42
CCOC(=O)C1=CN=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674166	0	33	-1.0	-40.53	298.31	4.07	-36.46
CCOC(=O)C1=CN=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674166	1	33	-1.0	-40.50	298.36	4.09	-36.41
CC1=CC(C=CC(=O)OCC2=N[N-]N=N2)=CC(C)=C1	REAL250004674167	0	32	-1.0	-38.96	284.98	6.35	-32.61
CC1=CC(C=CC(=O)OCC2=NN=N[N-]2)=CC(C)=C1	REAL250004674167	1	32	-1.0	-38.97	285.04	6.36	-32.61
CCCCCCCCC(C)CC(=O)OCC1=N[N-]N=N1	REAL250004674168	0	45	-1.0	-36.60	357.86	8.17	-28.43
CCCCCCCCC(C)CC(=O)OCC1=NN=N[N-]1	REAL250004674168	1	45	-1.0	-36.55	357.91	8.18	-28.37
C=CCOC1=CC=CN=C1C(=O)OCC1=NN=N[N-]1	REAL250004674169	0	29	-1.0	-49.27	268.36	3.57	-45.70
C=CCOC1=CC=CN=C1C(=O)OCC1=N[N-]N=N1	REAL250004674169	1	29	-1.0	-49.29	268.30	3.56	-45.73
CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004674170	0	32	-1.0	-42.48	285.23	4.73	-37.75
CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004674170	1	32	-1.0	-42.48	285.18	4.72	-37.76
CCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1CC	REAL250004674171	0	34	-1.0	-39.01	287.33	6.34	-32.67
CCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1CC	REAL250004674171	1	34	-1.0	-38.98	287.39	6.35	-32.63
CC1=C(C)C(C(=O)OCC2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL250004674172	0	35	-1.0	-44.90	309.58	6.91	-37.99
CC1=C(C)C(C(=O)OCC2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL250004674172	1	35	-1.0	-44.86	309.64	6.92	-37.94
CC(=O)NC1=CC=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674173	0	32	-1.0	-53.26	282.82	3.19	-50.07
CC(=O)NC1=CC=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674173	1	32	-1.0	-53.27	282.88	3.20	-50.07
CC1=C(C)C=C2OC(C(=O)OCC3=N[N-]N=N3)=CC2=C1	REAL250004674174	0	31	-1.0	-42.38	277.91	5.50	-36.88
CC1=C(C)C=C2OC(C(=O)OCC3=NN=N[N-]3)=CC2=C1	REAL250004674174	1	31	-1.0	-42.37	277.97	5.51	-36.86
O=C(OCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004674175	0	28	-1.0	-44.91	272.72	4.42	-40.49
O=C(OCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)SC=N1	REAL250004674175	1	28	-1.0	-44.91	272.66	4.41	-40.50
CC1=COC(C2=CC=CC=C2)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674176	0	32	-1.0	-44.75	290.01	6.17	-38.58
CC1=COC(C2=CC=CC=C2)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674176	1	32	-1.0	-44.73	290.06	6.18	-38.55
COCCN1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674177	0	29	-1.0	-38.36	264.86	1.51	-36.85
COCCN1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674177	1	29	-1.0	-38.38	264.80	1.50	-36.88
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004674178	0	32	-1.0	-43.75	272.84	6.39	-37.36
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250004674178	1	32	-1.0	-43.77	272.89	6.41	-37.36
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004674179	0	25	-1.0	-36.67	254.53	4.84	-31.83
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL250004674179	1	25	-1.0	-36.67	254.58	4.86	-31.81
CC(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004674180	0	33	-1.0	-37.29	295.28	6.27	-31.02
CC(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004674180	1	33	-1.0	-37.28	295.33	6.28	-31.00
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004674181	0	32	-1.0	-39.70	276.57	6.65	-33.05
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL250004674181	1	32	-1.0	-39.68	276.63	6.67	-33.01
COCCN1C=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674182	0	29	-1.0	-45.60	269.05	1.53	-44.07
COCCN1C=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674182	1	29	-1.0	-45.61	268.99	1.51	-44.10
CC(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004674183	0	32	-1.0	-42.44	277.77	3.35	-39.09
CC(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004674183	1	32	-1.0	-42.45	277.83	3.37	-39.08
O=C(OCC1=N[N-]N=N1)C1C2CCC(O2)C1C(F)(F)F	REAL250004674184	0	30	-1.0	-35.65	264.47	3.02	-32.63
O=C(OCC1=NN=N[N-]1)C1C2CCC(O2)C1C(F)(F)F	REAL250004674184	1	30	-1.0	-35.65	264.53	3.04	-32.61
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=CC=C2F)CC1	REAL250004674185	0	32	-1.0	-41.41	269.66	6.29	-35.12
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250004674185	1	32	-1.0	-41.42	269.72	6.30	-35.12
CC(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674186	0	31	-1.0	-36.36	284.08	6.12	-30.24
CC(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674186	1	31	-1.0	-36.36	284.14	6.14	-30.22
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL250004674187	0	22	-1.0	-38.93	229.22	4.24	-34.69
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL250004674187	1	22	-1.0	-38.92	229.27	4.25	-34.67
CC(C)(C)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)N=C1	REAL250004674188	0	34	-1.0	-42.09	286.51	2.97	-39.12
CC(C)(C)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)N=C1	REAL250004674188	1	34	-1.0	-42.10	286.45	2.95	-39.15
O=C(CC1=CNC2=CC=CC(Cl)=C12)OCC1=N[N-]N=N1	REAL250004674189	0	29	-1.0	-44.17	276.99	4.99	-39.18
O=C(CC1=CNC2=CC=CC(Cl)=C12)OCC1=NN=N[N-]1	REAL250004674189	1	29	-1.0	-44.15	277.05	5.00	-39.15
CN(C)C1=CC(C#N)=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674190	0	31	-1.0	-40.40	282.55	4.55	-35.85
CN(C)C1=CC(C#N)=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674190	1	31	-1.0	-40.41	282.61	4.56	-35.85
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL250004674191	0	31	-1.0	-47.77	286.93	2.85	-44.92
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL250004674191	1	31	-1.0	-47.79	286.88	2.83	-44.96
CN1C=C(Br)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674192	0	22	-1.0	-45.21	233.30	2.19	-43.02
CN1C=C(Br)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674192	1	22	-1.0	-45.23	233.24	2.18	-43.05
O=C(CC1=CNC2=CN=CC=C12)OCC1=N[N-]N=N1	REAL250004674193	0	28	-1.0	-43.21	259.05	2.86	-40.35
O=C(CC1=CNC2=CN=CC=C12)OCC1=NN=N[N-]1	REAL250004674193	1	28	-1.0	-43.20	259.11	2.87	-40.33
CN1C=NN(CCC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004674194	0	28	-1.0	-47.10	262.04	3.53	-43.57
CN1C=NN(CCC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004674194	1	28	-1.0	-47.13	262.10	3.54	-43.59
CC(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674195	0	24	-1.0	-42.29	244.08	3.30	-38.99
CC(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674195	1	24	-1.0	-42.27	244.14	3.32	-38.95
O=C(CC1CCCS(=O)(=O)C1)OCC1=N[N-]N=N1	REAL250004674196	0	31	-1.0	-45.75	271.07	0.78	-44.97
O=C(CC1CCCS(=O)(=O)C1)OCC1=NN=N[N-]1	REAL250004674196	1	31	-1.0	-45.74	271.13	0.79	-44.95
O=C(COC1=CC=C(Cl)C(F)=C1)OCC1=N[N-]N=N1	REAL250004674197	0	26	-1.0	-38.03	263.92	4.60	-33.43
O=C(COC1=CC=C(Cl)C(F)=C1)OCC1=NN=N[N-]1	REAL250004674197	1	26	-1.0	-37.98	263.98	4.61	-33.37
CCC1=NC(C(C)C)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674198	0	36	-1.0	-37.10	300.27	4.96	-32.14
CCC1=NC(C(C)C)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674198	1	36	-1.0	-37.06	300.33	4.97	-32.09
O=C(OCC1=NN=N[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004674199	0	27	-1.0	-40.18	263.47	4.29	-35.89
O=C(OCC1=N[N-]N=N1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL250004674199	1	27	-1.0	-40.18	263.41	4.28	-35.90
O=C(OCC1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL250004674200	0	32	-1.0	-37.26	278.08	5.56	-31.70
O=C(OCC1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL250004674200	1	32	-1.0	-37.23	278.14	5.57	-31.66
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1F	REAL250004674201	0	25	-1.0	-40.77	248.97	4.73	-36.04
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1F	REAL250004674201	1	25	-1.0	-40.71	249.03	4.74	-35.97
O=C(CC1OCC2=CC(Cl)=CC=C21)OCC1=N[N-]N=N1	REAL250004674202	0	30	-1.0	-39.11	283.64	4.87	-34.24
O=C(CC1OCC2=CC(Cl)=CC=C21)OCC1=NN=N[N-]1	REAL250004674202	1	30	-1.0	-39.10	283.70	4.88	-34.22
O=C(OCC1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)O1	REAL250004674203	0	26	-1.0	-38.70	266.14	3.81	-34.89
O=C(OCC1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL250004674203	1	26	-1.0	-38.69	266.19	3.82	-34.87
CC1=NN(C(C)C)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674204	0	31	-1.0	-38.62	272.91	3.49	-35.13
CC1=NN(C(C)C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674204	1	31	-1.0	-38.62	272.97	3.51	-35.11
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)F)N=C1	REAL250004674205	0	24	-1.0	-39.25	238.40	2.91	-36.34
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)F)N=C1	REAL250004674205	1	24	-1.0	-39.21	238.45	2.92	-36.29
O=C(OCC1=N[N-]N=N1)C1=C2OCCOC2=CS1	REAL250004674206	0	25	-1.0	-42.73	244.02	1.94	-40.79
O=C(OCC1=NN=N[N-]1)C1=C2OCCOC2=CS1	REAL250004674206	1	25	-1.0	-42.70	244.08	1.96	-40.74
O=C(CCCC1=C(F)C=CC=C1F)OCC1=N[N-]N=N1	REAL250004674207	0	31	-1.0	-40.17	285.93	6.19	-33.98
O=C(CCCC1=C(F)C=CC=C1F)OCC1=NN=N[N-]1	REAL250004674207	1	31	-1.0	-40.20	285.99	6.21	-33.99
O=C(OCC1=NN=N[N-]1)C1=CN=CC=C1C(F)(F)F	REAL250004674208	0	24	-1.0	-39.91	236.00	2.84	-37.07
O=C(OCC1=N[N-]N=N1)C1=CN=CC=C1C(F)(F)F	REAL250004674208	1	24	-1.0	-39.94	235.94	2.82	-37.12
O=C(OCC1=NN=N[N-]1)C1CCCCC1N1C=CC=N1	REAL250004674209	0	35	-1.0	-40.12	282.52	5.51	-34.61
O=C(OCC1=N[N-]N=N1)C1CCCCC1N1C=CC=N1	REAL250004674209	1	35	-1.0	-40.13	282.46	5.49	-34.64
CC(C)C1CCC(C)CC1C(=O)OCC1=N[N-]N=N1	REAL250004674210	0	40	-1.0	-37.52	294.04	5.94	-31.58
CC(C)C1CCC(C)CC1C(=O)OCC1=NN=N[N-]1	REAL250004674210	1	40	-1.0	-37.53	294.09	5.95	-31.58
CC(C(=O)OCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004674211	0	38	-1.0	-39.30	313.10	3.86	-35.44
CC(C(=O)OCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004674211	1	38	-1.0	-39.33	313.16	3.87	-35.46
CC(C)(C)OC(=O)CCCCC(=O)OCC1=N[N-]N=N1	REAL250004674212	0	39	-1.0	-39.99	325.77	5.96	-34.03
CC(C)(C)OC(=O)CCCCC(=O)OCC1=NN=N[N-]1	REAL250004674212	1	39	-1.0	-40.00	325.83	5.98	-34.02
CC(C)(C)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674213	0	34	-1.0	-38.98	286.43	6.10	-32.88
CC(C)(C)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674213	1	34	-1.0	-38.96	286.49	6.12	-32.84
O=C(OCC1=NN=N[N-]1)C1=CC=C2OCCOC2=N1	REAL250004674214	0	27	-1.0	-47.39	250.58	-0.12	-47.51
O=C(OCC1=N[N-]N=N1)C1=CC=C2OCCOC2=N1	REAL250004674214	1	27	-1.0	-47.42	250.52	-0.14	-47.56
O=C(CCCC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004674215	0	31	-1.0	-39.15	281.72	6.22	-32.93
O=C(CCCC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004674215	1	31	-1.0	-39.17	281.78	6.23	-32.94
CC1=NN(CC(=O)OCC2=N[N-]N=N2)C(=O)N1C	REAL250004674216	0	28	-1.0	-48.81	262.02	2.88	-45.93
CC1=NN(CC(=O)OCC2=NN=N[N-]2)C(=O)N1C	REAL250004674216	1	28	-1.0	-48.82	262.08	2.90	-45.92
O=C(CC1OCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674217	0	30	-1.0	-40.61	266.56	4.32	-36.29
O=C(CC1OCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674217	1	30	-1.0	-40.58	266.62	4.34	-36.24
COC1=CC=C2CCCC(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004674218	0	36	-1.0	-45.36	296.21	5.48	-39.88
COC1=CC=C2CCCC(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004674218	1	36	-1.0	-45.32	296.26	5.50	-39.82
COC1=CN2N=CC(C(=O)OCC3=NN=N[N-]3)=C2C=C1	REAL250004674219	0	29	-1.0	-42.44	266.26	2.80	-39.64
COC1=CN2N=CC(C(=O)OCC3=N[N-]N=N3)=C2C=C1	REAL250004674219	1	29	-1.0	-42.45	266.21	2.78	-39.67
O=C(CCC1CCCCCC1)OCC1=N[N-]N=N1	REAL250004674220	0	37	-1.0	-36.51	285.76	5.95	-30.56
O=C(CCC1CCCCCC1)OCC1=NN=N[N-]1	REAL250004674220	1	37	-1.0	-36.47	285.82	5.96	-30.51
CC1(C)CC2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2O1	REAL250004674221	0	33	-1.0	-45.23	286.68	5.58	-39.65
CC1(C)CC2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2O1	REAL250004674221	1	33	-1.0	-45.20	286.74	5.60	-39.60
CN(C)C1=NC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674222	0	29	-1.0	-35.45	278.32	3.01	-32.44
CN(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674222	1	29	-1.0	-35.45	278.26	3.00	-32.45
CC(CC(=O)OCC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL250004674223	0	37	-1.0	-41.17	299.28	5.05	-36.12
CC(CC(=O)OCC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL250004674223	1	37	-1.0	-41.16	299.33	5.06	-36.10
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004674224	0	33	-1.0	-43.33	284.34	2.41	-40.92
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL250004674224	1	33	-1.0	-43.30	284.39	2.42	-40.88
O=C(OCC1=NN=N[N-]1)C1=C(C2=NOC=C2)OC=N1	REAL250004674225	0	24	-1.0	-51.50	237.93	-0.19	-51.69
O=C(OCC1=N[N-]N=N1)C1=C(C2=NOC=C2)OC=N1	REAL250004674225	1	24	-1.0	-51.49	237.87	-0.21	-51.70
CC1=NN(C(C)CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674226	0	31	-1.0	-39.55	271.32	3.51	-36.04
CC1=NN(C(C)CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674226	1	31	-1.0	-39.52	271.37	3.53	-35.99
CCC(C(=O)OCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL250004674227	0	41	-1.0	-39.23	332.15	4.95	-34.28
CCC(C(=O)OCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL250004674227	1	41	-1.0	-39.21	332.21	4.96	-34.25
COC(=O)C1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674228	0	24	-1.0	-49.67	253.26	1.55	-48.12
COC(=O)C1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674228	1	24	-1.0	-49.66	253.20	1.53	-48.13
O=C(OCC1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004674229	0	34	-1.0	-47.53	296.12	6.06	-41.47
O=C(OCC1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL250004674229	1	34	-1.0	-47.57	296.06	6.05	-41.52
O=C(OCC1=N[N-]N=N1)C1=COC2=C1C(=O)NCCC2	REAL250004674230	0	30	-1.0	-48.93	268.03	1.51	-47.42
O=C(OCC1=NN=N[N-]1)C1=COC2=C1C(=O)NCCC2	REAL250004674230	1	30	-1.0	-48.94	268.08	1.52	-47.42
CC1C2=CNN=C2CCC1C(=O)OCC1=N[N-]N=N1	REAL250004674231	0	32	-1.0	-39.40	264.76	2.99	-36.41
CC1C2=CNN=C2CCC1C(=O)OCC1=NN=N[N-]1	REAL250004674231	1	32	-1.0	-39.39	264.82	3.01	-36.38
CN1N=C(C2=CC=CN=C2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674232	0	31	-1.0	-37.08	283.97	3.38	-33.70
CN1N=C(C2=CC=CN=C2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674232	1	31	-1.0	-37.09	283.92	3.37	-33.72
CN1N=C(C2=CC=NC=C2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674233	0	31	-1.0	-36.73	284.13	3.39	-33.34
CN1N=C(C2=CC=NC=C2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674233	1	31	-1.0	-36.71	284.19	3.41	-33.30
CCN1N=C(C2CC2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674234	0	32	-1.0	-35.58	282.98	4.53	-31.05
CCN1N=C(C2CC2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674234	1	32	-1.0	-35.57	283.04	4.54	-31.03
CC12CC3CC(C1)CC(C(=O)OCC1=N[N-]N=N1)(C3)C2	REAL250004674235	0	39	-1.0	-38.41	295.05	6.28	-32.13
CC12CC3CC(C1)CC(C(=O)OCC1=NN=N[N-]1)(C3)C2	REAL250004674235	1	39	-1.0	-38.40	295.11	6.30	-32.10
O=C(OCC1=N[N-]N=N1)C1(C2CCCCC2)CC1	REAL250004674236	0	35	-1.0	-38.83	280.57	5.98	-32.85
O=C(OCC1=NN=N[N-]1)C1(C2CCCCC2)CC1	REAL250004674236	1	35	-1.0	-38.81	280.62	5.99	-32.82
COC1=CC(OC)=NC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674237	0	28	-1.0	-38.73	266.36	-1.83	-40.56
COC1=CC(OC)=NC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674237	1	28	-1.0	-38.76	266.30	-1.84	-40.60
O=C(OCC1=N[N-]N=N1)C1=NN2CCCC(=O)C2=C1	REAL250004674238	0	28	-1.0	-46.39	258.83	2.30	-44.09
O=C(OCC1=NN=N[N-]1)C1=NN2CCCC(=O)C2=C1	REAL250004674238	1	28	-1.0	-46.40	258.89	2.32	-44.08
CC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004674239	0	30	-1.0	-38.88	267.74	4.89	-33.99
CC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004674239	1	30	-1.0	-38.88	267.80	4.91	-33.97
CC1=NNC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C12	REAL250004674240	0	28	-1.0	-42.60	256.67	3.10	-39.50
CC1=NNC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C12	REAL250004674240	1	28	-1.0	-42.59	256.73	3.12	-39.47
O=C(OCC1=N[N-]N=N1)C1CCOC2(CCCC2)C1	REAL250004674241	0	36	-1.0	-36.78	284.60	4.15	-32.63
O=C(OCC1=NN=N[N-]1)C1CCOC2(CCCC2)C1	REAL250004674241	1	36	-1.0	-36.77	284.66	4.17	-32.60
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(C)=C1C#N	REAL250004674242	0	29	-1.0	-36.37	269.32	5.16	-31.21
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(C)=C1C#N	REAL250004674242	1	29	-1.0	-36.39	269.38	5.18	-31.21
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL250004674243	0	35	-1.0	-39.68	297.27	4.66	-35.02
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL250004674243	1	35	-1.0	-39.71	297.33	4.68	-35.03
CCN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C1CC1	REAL250004674244	0	32	-1.0	-45.21	286.07	4.45	-40.76
CCN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C1CC1	REAL250004674244	1	32	-1.0	-45.19	286.12	4.47	-40.72
CC1=CC(C)=C(CC(=O)OCC2=N[N-]N=N2)C(=O)N1	REAL250004674245	0	31	-1.0	-49.61	274.70	2.61	-47.00
CC1=CC(C)=C(CC(=O)OCC2=NN=N[N-]2)C(=O)N1	REAL250004674245	1	31	-1.0	-49.60	274.76	2.62	-46.98
CCC1CC(C(=O)OCC2=N[N-]N=N2)CCC1=O	REAL250004674246	0	33	-1.0	-38.25	274.23	4.59	-33.66
CCC1CC(C(=O)OCC2=NN=N[N-]2)CCC1=O	REAL250004674246	1	33	-1.0	-38.26	274.29	4.60	-33.66
O=C(OCC1=N[N-]N=N1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004674247	0	27	-1.0	-38.54	256.80	0.97	-37.57
O=C(OCC1=NN=N[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL250004674247	1	27	-1.0	-38.48	256.86	0.98	-37.50
N#CC1(C(=O)OCC2=N[N-]N=N2)CC12CCOCC2	REAL250004674248	0	31	-1.0	-41.55	271.01	3.02	-38.53
N#CC1(C(=O)OCC2=NN=N[N-]2)CC12CCOCC2	REAL250004674248	1	31	-1.0	-41.56	271.06	3.04	-38.52
O=C(OCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004674249	0	32	-1.0	-38.05	281.58	2.96	-35.09
O=C(OCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250004674249	1	32	-1.0	-38.03	281.63	2.98	-35.05
COC1=C(C(=O)OCC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL250004674250	0	31	-1.0	-56.30	282.23	3.69	-52.61
COC1=C(C(=O)OCC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL250004674250	1	31	-1.0	-56.32	282.17	3.67	-52.65
O=C(OCC1=N[N-]N=N1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004674251	0	32	-1.0	-38.03	280.75	5.49	-32.54
O=C(OCC1=NN=N[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL250004674251	1	32	-1.0	-38.02	280.80	5.50	-32.52
CC1(C)CC(=O)NCC1C(=O)OCC1=N[N-]N=N1	REAL250004674252	0	32	-1.0	-38.22	262.23	1.01	-37.21
CC1(C)CC(=O)NCC1C(=O)OCC1=NN=N[N-]1	REAL250004674252	1	32	-1.0	-38.23	262.28	1.02	-37.21
CCC(C)C(=O)N1CSC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004674253	0	36	-1.0	-44.04	304.69	4.60	-39.44
CCC(C)C(=O)N1CSC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004674253	1	36	-1.0	-44.05	304.75	4.61	-39.44
O=C(OCC1=NN=N[N-]1)C1=NN2CCNC(=O)C2=C1	REAL250004674254	0	27	-1.0	-47.50	253.23	-0.79	-48.29
O=C(OCC1=N[N-]N=N1)C1=NN2CCNC(=O)C2=C1	REAL250004674254	1	27	-1.0	-47.51	253.17	-0.81	-48.32
O=C(OCC1=N[N-]N=N1)C1=C2C=COC2=CC=C1F	REAL250004674255	0	25	-1.0	-45.02	245.55	4.19	-40.83
O=C(OCC1=NN=N[N-]1)C1=C2C=COC2=CC=C1F	REAL250004674255	1	25	-1.0	-45.02	245.60	4.21	-40.81
COC1=CC=CC2=C1CC(C(=O)OCC1=N[N-]N=N1)CO2	REAL250004674256	0	34	-1.0	-38.89	291.79	3.74	-35.15
COC1=CC=CC2=C1CC(C(=O)OCC1=NN=N[N-]1)CO2	REAL250004674256	1	34	-1.0	-38.87	291.85	3.76	-35.11
CC1=CC2=NC=CN=C2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674257	0	29	-1.0	-42.82	262.17	2.75	-40.07
CC1=CC2=NC=CN=C2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674257	1	29	-1.0	-42.79	262.23	2.76	-40.03
COCC1(CC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004674258	0	36	-1.0	-36.99	283.58	1.70	-35.29
COCC1(CC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004674258	1	36	-1.0	-37.00	283.64	1.71	-35.29
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004674259	0	32	-1.0	-40.73	296.92	4.18	-36.55
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL250004674259	1	32	-1.0	-40.75	296.86	4.16	-36.59
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=C1Cl)OCO2	REAL250004674260	0	25	-1.0	-38.50	248.82	2.83	-35.67
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL250004674260	1	25	-1.0	-38.50	248.88	2.84	-35.66
CC1=CC(C2CCC2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674261	0	34	-1.0	-39.27	287.38	5.08	-34.19
CC1=CC(C2CCC2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674261	1	34	-1.0	-39.29	287.44	5.10	-34.19
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL250004674262	0	28	-1.0	-46.05	276.10	4.56	-41.49
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2)=N1	REAL250004674262	1	28	-1.0	-46.04	276.04	4.55	-41.49
CS(=O)(=O)CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674263	0	31	-1.0	-51.89	295.31	1.99	-49.90
CS(=O)(=O)CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674263	1	31	-1.0	-51.87	295.36	2.00	-49.87
COC1=CC=C(C)C=C1C=CC(=O)OCC1=N[N-]N=N1	REAL250004674264	0	33	-1.0	-41.66	291.31	5.06	-36.60
COC1=CC=C(C)C=C1C=CC(=O)OCC1=NN=N[N-]1	REAL250004674264	1	33	-1.0	-41.68	291.37	5.08	-36.60
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674265	0	30	-1.0	-41.81	286.84	-0.05	-41.86
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674265	1	30	-1.0	-41.80	286.89	-0.04	-41.84
COC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674266	0	29	-1.0	-40.98	268.14	3.94	-37.04
COC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674266	1	29	-1.0	-40.97	268.20	3.95	-37.02
CC1=CC=NN1C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674267	0	32	-1.0	-39.59	287.49	5.38	-34.21
CC1=CC=NN1C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674267	1	32	-1.0	-39.60	287.55	5.39	-34.21
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1	REAL250004674268	0	28	-1.0	-40.49	254.97	4.26	-36.23
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1	REAL250004674268	1	28	-1.0	-40.43	255.02	4.28	-36.15
O=C(OCC1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL250004674269	0	32	-1.0	-42.21	296.07	5.49	-36.72
O=C(OCC1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=C1	REAL250004674269	1	32	-1.0	-42.24	296.02	5.48	-36.76
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL250004674270	0	29	-1.0	-41.05	270.59	5.02	-36.03
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL250004674270	1	29	-1.0	-41.04	270.53	5.01	-36.03
O=C(CCN1C(=O)CCC1=O)OCC1=N[N-]N=N1	REAL250004674271	0	28	-1.0	-45.49	259.15	2.01	-43.48
O=C(CCN1C(=O)CCC1=O)OCC1=NN=N[N-]1	REAL250004674271	1	28	-1.0	-45.53	259.21	2.03	-43.50
CCOC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674272	0	33	-1.0	-40.59	298.93	2.93	-37.66
CCOC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674272	1	33	-1.0	-40.59	298.99	2.94	-37.65
CC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674273	0	24	-1.0	-37.45	246.95	3.49	-33.96
CC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674273	1	24	-1.0	-37.45	247.01	3.51	-33.94
CC(C)(C)OC(=O)NCCCC(=O)OCC1=N[N-]N=N1	REAL250004674274	0	38	-1.0	-40.67	320.41	2.12	-38.55
CC(C)(C)OC(=O)NCCCC(=O)OCC1=NN=N[N-]1	REAL250004674274	1	38	-1.0	-40.67	320.47	2.13	-38.54
CC1=C(C(=O)OCC2=NN=N[N-]2)C2=C(N=CN(C)C2=O)O1	REAL250004674275	0	30	-1.0	-56.36	281.63	2.26	-54.10
CC1=C(C(=O)OCC2=N[N-]N=N2)C2=C(N=CN(C)C2=O)O1	REAL250004674275	1	30	-1.0	-56.34	281.57	2.24	-54.10
CC1=CC2=CC=CC=C2N1CC(=O)OCC1=N[N-]N=N1	REAL250004674276	0	32	-1.0	-40.50	284.65	6.49	-34.01
CC1=CC2=CC=CC=C2N1CC(=O)OCC1=NN=N[N-]1	REAL250004674276	1	32	-1.0	-40.49	284.70	6.51	-33.98
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC1	REAL250004674277	0	32	-1.0	-40.81	270.02	6.17	-34.64
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC1	REAL250004674277	1	32	-1.0	-40.78	270.08	6.19	-34.59
O=C(OCC1=N[N-]N=N1)C1COC2=CC=CC=C2C1	REAL250004674278	0	30	-1.0	-37.10	263.45	4.38	-32.72
O=C(OCC1=NN=N[N-]1)C1COC2=CC=CC=C2C1	REAL250004674278	1	30	-1.0	-37.07	263.51	4.40	-32.67
O=C(OCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004674279	0	29	-1.0	-43.66	268.11	5.36	-38.30
O=C(OCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2)C=CO1	REAL250004674279	1	29	-1.0	-43.67	268.17	5.37	-38.30
O=C(OCC1=N[N-]N=N1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL250004674280	0	28	-1.0	-40.32	270.21	4.45	-35.87
O=C(OCC1=NN=N[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL250004674280	1	28	-1.0	-40.32	270.26	4.47	-35.85
NC(=O)CSC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674281	0	30	-1.0	-52.06	282.44	1.54	-50.52
NC(=O)CSC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674281	1	30	-1.0	-52.04	282.50	1.56	-50.48
CC1=NC(CSCC(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674282	0	28	-1.0	-41.26	283.43	3.60	-37.66
CC1=NC(CSCC(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674282	1	28	-1.0	-41.26	283.48	3.62	-37.64
O=C(OCC1=N[N-]N=N1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL250004674283	0	33	-1.0	-40.84	294.48	7.89	-32.95
O=C(OCC1=NN=N[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL250004674283	1	33	-1.0	-40.87	294.54	7.90	-32.97
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=CS2)S1	REAL250004674284	0	22	-1.0	-39.13	238.31	4.31	-34.82
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=CS2)S1	REAL250004674284	1	22	-1.0	-39.14	238.37	4.33	-34.81
O=C(CN1C=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674285	0	29	-1.0	-40.80	265.58	6.04	-34.76
O=C(CN1C=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674285	1	29	-1.0	-40.82	265.63	6.06	-34.76
O=C(CCCOC1=CC=CC(F)=C1)OCC1=N[N-]N=N1	REAL250004674286	0	32	-1.0	-40.52	290.19	5.02	-35.50
O=C(CCCOC1=CC=CC(F)=C1)OCC1=NN=N[N-]1	REAL250004674286	1	32	-1.0	-40.54	290.25	5.04	-35.50
O=C(CCCOC1=CC=CC=C1F)OCC1=N[N-]N=N1	REAL250004674287	0	32	-1.0	-42.77	290.01	5.03	-37.74
O=C(CCCOC1=CC=CC=C1F)OCC1=NN=N[N-]1	REAL250004674287	1	32	-1.0	-42.79	290.06	5.04	-37.75
CCN1C(C(=O)OCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004674288	0	32	-1.0	-38.11	282.74	6.28	-31.83
CCN1C(C(=O)OCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004674288	1	32	-1.0	-38.11	282.79	6.29	-31.82
CC(NC(=O)C1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674289	0	38	-1.0	-37.86	313.26	3.44	-34.42
CC(NC(=O)C1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674289	1	38	-1.0	-37.88	313.30	3.45	-34.43
COC(=O)COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674290	0	32	-1.0	-42.47	296.05	4.71	-37.76
COC(=O)COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674290	1	32	-1.0	-42.46	296.11	4.72	-37.74
CC(SC1=NN=NN1C1CC1)C(=O)OCC1=NN=N[N-]1	REAL250004674291	0	31	-1.0	-39.45	294.43	3.54	-35.91
CC(SC1=NN=NN1C1CC1)C(=O)OCC1=N[N-]N=N1	REAL250004674291	1	31	-1.0	-39.44	294.37	3.52	-35.92
O=C(CC1=CC=C2OCOC2=C1)OCC1=N[N-]N=N1	REAL250004674292	0	28	-1.0	-41.11	258.48	3.22	-37.89
O=C(CC1=CC=C2OCOC2=C1)OCC1=NN=N[N-]1	REAL250004674292	1	28	-1.0	-41.09	258.54	3.24	-37.85
CCCN(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674293	0	36	-1.0	-40.70	304.53	5.85	-34.85
CCCN(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674293	1	36	-1.0	-40.70	304.59	5.87	-34.83
CC1=NN=C2C=CC(C(=O)OCC3=N[N-]N=N3)=CN12	REAL250004674294	0	27	-1.0	-39.86	253.14	4.88	-34.98
CC1=NN=C2C=CC(C(=O)OCC3=NN=N[N-]3)=CN12	REAL250004674294	1	27	-1.0	-39.87	253.20	4.89	-34.98
O=C(OCC1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004674295	0	34	-1.0	-40.81	289.81	-0.48	-41.29
O=C(OCC1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004674295	1	34	-1.0	-40.81	289.86	-0.47	-41.28
CCCC(CC1CCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674296	0	40	-1.0	-37.74	301.51	6.45	-31.29
CCCC(CC1CCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674296	1	40	-1.0	-37.73	301.56	6.48	-31.25
CCCC(CC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674297	0	43	-1.0	-38.31	328.21	7.39	-30.92
CCCC(CC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674297	1	43	-1.0	-38.32	328.26	7.41	-30.91
COC1=C(C(=O)OCC2=N[N-]N=N2)SC(C)=C1	REAL250004674298	0	26	-1.0	-44.92	251.14	3.57	-41.35
COC1=C(C(=O)OCC2=NN=N[N-]2)SC(C)=C1	REAL250004674298	1	26	-1.0	-44.90	251.20	3.58	-41.32
COC1=NC(C(=O)OCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004674299	0	31	-1.0	-44.90	283.50	2.84	-42.06
COC1=NC(C(=O)OCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004674299	1	31	-1.0	-44.94	283.44	2.83	-42.11
CC(OC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674300	0	35	-1.0	-37.96	286.00	4.77	-33.19
CC(OC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674300	1	35	-1.0	-37.94	286.05	4.79	-33.15
CC(CC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674301	0	37	-1.0	-37.79	291.13	6.03	-31.76
CC(CC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674301	1	37	-1.0	-37.78	291.18	6.04	-31.74
CCC(CC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674302	0	40	-1.0	-36.88	307.61	6.77	-30.11
CCC(CC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674302	1	40	-1.0	-36.90	307.67	6.78	-30.12
CC1=NOC(COCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674303	0	27	-1.0	-44.38	258.46	0.14	-44.24
CC1=NOC(COCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674303	1	27	-1.0	-44.37	258.52	0.15	-44.22
CCC(CC1CCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674304	0	37	-1.0	-38.10	291.02	6.19	-31.91
CCC(CC1CCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674304	1	37	-1.0	-38.08	291.08	6.21	-31.87
CC1=CC(OC(F)F)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674305	0	26	-1.0	-42.63	260.91	3.81	-38.82
CC1=CC(OC(F)F)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674305	1	26	-1.0	-42.59	260.97	3.82	-38.77
CC1=NC=C(C(=O)OCC2=N[N-]N=N2)C(C(C)C)=N1	REAL250004674306	0	32	-1.0	-36.86	281.40	3.66	-33.20
CC1=NC=C(C(=O)OCC2=NN=N[N-]2)C(C(C)C)=N1	REAL250004674306	1	32	-1.0	-36.86	281.46	3.67	-33.19
CC1=NN(C)C=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004674307	0	31	-1.0	-40.95	277.34	3.70	-37.25
CC1=NN(C)C=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004674307	1	31	-1.0	-40.96	277.40	3.72	-37.24
CCN(CC(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004674308	0	38	-1.0	-43.13	314.42	4.43	-38.70
CCN(CC(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004674308	1	38	-1.0	-43.07	314.48	4.44	-38.63
CC1=C(C)N(CCC(=O)OCC2=N[N-]N=N2)C(=O)S1	REAL250004674309	0	31	-1.0	-42.39	284.53	3.74	-38.65
CC1=C(C)N(CCC(=O)OCC2=NN=N[N-]2)C(=O)S1	REAL250004674309	1	31	-1.0	-42.38	284.59	3.75	-38.63
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC(F)=C2)CC1	REAL250004674310	0	29	-1.0	-37.83	260.21	5.81	-32.02
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC(F)=C2)CC1	REAL250004674310	1	29	-1.0	-37.84	260.27	5.83	-32.01
O=C(CC1=CNC2=CC=C(F)C=C12)OCC1=N[N-]N=N1	REAL250004674311	0	29	-1.0	-43.72	270.82	4.68	-39.04
O=C(CC1=CNC2=CC=C(F)C=C12)OCC1=NN=N[N-]1	REAL250004674311	1	29	-1.0	-43.71	270.88	4.70	-39.01
O=C(CC1OCCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674312	0	33	-1.0	-40.10	280.92	5.17	-34.93
O=C(CC1OCCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674312	1	33	-1.0	-40.07	280.98	5.19	-34.88
CCOC1=C(F)C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674313	0	29	-1.0	-39.99	267.49	4.85	-35.14
CCOC1=C(F)C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674313	1	29	-1.0	-39.97	267.55	4.86	-35.11
O=C(OCC1=N[N-]N=N1)C1CC12CCCC1=CC=CC=C12	REAL250004674314	0	36	-1.0	-42.39	294.21	7.37	-35.02
O=C(OCC1=NN=N[N-]1)C1CC12CCCC1=CC=CC=C12	REAL250004674314	1	36	-1.0	-42.34	294.26	7.38	-34.96
O=C(OCC1=N[N-]N=N1)C1CC12CCC1=CC=CC=C12	REAL250004674315	0	33	-1.0	-39.61	286.48	7.03	-32.58
O=C(OCC1=NN=N[N-]1)C1CC12CCC1=CC=CC=C12	REAL250004674315	1	33	-1.0	-39.60	286.53	7.04	-32.56
CC1=CC=C2C(CCC(=O)OCC3=N[N-]N=N3)=CNC2=C1	REAL250004674316	0	35	-1.0	-40.77	307.10	6.08	-34.69
CC1=CC=C2C(CCC(=O)OCC3=NN=N[N-]3)=CNC2=C1	REAL250004674316	1	35	-1.0	-40.75	307.15	6.09	-34.66
CC(CCOC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674317	0	35	-1.0	-39.51	301.10	5.46	-34.05
CC(CCOC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674317	1	35	-1.0	-39.50	301.15	5.48	-34.02
O=C(OCC1=NN=N[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL250004674318	0	27	-1.0	-43.78	266.57	1.05	-42.73
O=C(OCC1=N[N-]N=N1)C1=C(CCC(F)(F)F)OC=N1	REAL250004674318	1	27	-1.0	-43.76	266.52	1.04	-42.72
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=CN=CC=C21	REAL250004674319	0	27	-1.0	-42.04	246.86	4.15	-37.89
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=CN=CC=C21	REAL250004674319	1	27	-1.0	-42.04	246.80	4.13	-37.91
CC1=NOC(C(F)F)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674320	0	24	-1.0	-36.66	242.42	2.94	-33.72
CC1=NOC(C(F)F)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674320	1	24	-1.0	-36.68	242.48	2.95	-33.73
CC(CC(=O)OCC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL250004674321	0	33	-1.0	-40.43	295.93	5.68	-34.75
CC(CC(=O)OCC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL250004674321	1	33	-1.0	-40.41	295.99	5.68	-34.73
CC1=CC=C2NC=C(CCC(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004674322	0	35	-1.0	-40.96	307.09	6.10	-34.86
CC1=CC=C2NC=C(CCC(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004674322	1	35	-1.0	-40.93	307.15	6.11	-34.82
CC(C)C1=NN(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674323	0	31	-1.0	-35.76	271.54	3.45	-32.31
CC(C)C1=NN(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674323	1	31	-1.0	-35.76	271.60	3.46	-32.30
CCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004674324	0	30	-1.0	-38.16	272.72	5.61	-32.55
CCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004674324	1	30	-1.0	-38.17	272.78	5.62	-32.55
CC(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C	REAL250004674325	0	31	-1.0	-44.93	274.13	3.35	-41.58
CC(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C	REAL250004674325	1	31	-1.0	-44.95	274.19	3.36	-41.59
CSCC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004674326	0	29	-1.0	-37.26	281.68	5.68	-31.58
CSCC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004674326	1	29	-1.0	-37.24	281.74	5.70	-31.54
CC1=CC=C(OCCCC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004674327	0	38	-1.0	-40.20	322.18	6.17	-34.03
CC1=CC=C(OCCCC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004674327	1	38	-1.0	-40.20	322.24	6.18	-34.02
O=C(OCC1=NN=N[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL250004674328	0	35	-1.0	-39.49	295.69	2.56	-36.93
O=C(OCC1=N[N-]N=N1)C1CCN(C2=CN=CC=N2)CC1	REAL250004674328	1	35	-1.0	-39.47	295.63	2.55	-36.92
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Br	REAL250004674329	0	25	-1.0	-39.07	249.73	4.97	-34.10
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Br	REAL250004674329	1	25	-1.0	-39.09	249.79	4.98	-34.11
O=C(OCC1=N[N-]N=N1)C1CC(OCC2=CC=CC=C2)C1	REAL250004674330	0	36	-1.0	-39.40	314.24	5.87	-33.53
O=C(OCC1=NN=N[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL250004674330	1	36	-1.0	-39.38	314.30	5.88	-33.50
CS(=O)(=O)CC1(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004674331	0	31	-1.0	-46.03	281.52	1.14	-44.89
CS(=O)(=O)CC1(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004674331	1	31	-1.0	-46.07	281.58	1.15	-44.92
CC(CN(C)C(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674332	0	41	-1.0	-41.56	333.23	4.46	-37.10
CC(CN(C)C(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674332	1	41	-1.0	-41.57	333.29	4.47	-37.10
CC(C)C1=NN=C(CCC(=O)OCC2=N[N-]N=N2)O1	REAL250004674333	0	32	-1.0	-40.47	288.23	-0.35	-40.82
CC(C)C1=NN=C(CCC(=O)OCC2=NN=N[N-]2)O1	REAL250004674333	1	32	-1.0	-40.47	288.28	-0.34	-40.81
O=C(OCC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL250004674334	0	32	-1.0	-42.90	296.77	4.92	-37.98
O=C(OCC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL250004674334	1	32	-1.0	-42.86	296.72	4.90	-37.96
CN1N=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C21	REAL250004674335	0	27	-1.0	-39.91	254.81	2.94	-36.97
CN1N=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C21	REAL250004674335	1	27	-1.0	-39.89	254.75	2.93	-36.96
NC(=O)C1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674336	0	32	-1.0	-46.24	263.92	0.63	-45.61
NC(=O)C1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674336	1	32	-1.0	-46.19	263.98	0.64	-45.55
O=C(OCC1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250004674337	0	25	-1.0	-43.70	254.03	2.99	-40.71
O=C(OCC1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL250004674337	1	25	-1.0	-43.71	253.97	2.97	-40.74
CCCN1C(C(=O)OCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL250004674338	0	35	-1.0	-38.83	304.22	7.04	-31.79
CCCN1C(C(=O)OCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL250004674338	1	35	-1.0	-38.81	304.28	7.05	-31.76
O=C(CC1CCC2(CC1)OCCO2)OCC1=N[N-]N=N1	REAL250004674339	0	37	-1.0	-39.09	297.75	3.62	-35.47
O=C(CC1CCC2(CC1)OCCO2)OCC1=NN=N[N-]1	REAL250004674339	1	37	-1.0	-39.12	297.80	3.64	-35.48
CC1=CC=CC=C1C1(C(=O)OCC2=N[N-]N=N2)CCC1	REAL250004674340	0	35	-1.0	-39.24	288.71	6.61	-32.63
CC1=CC=CC=C1C1(C(=O)OCC2=NN=N[N-]2)CCC1	REAL250004674340	1	35	-1.0	-39.21	288.77	6.62	-32.59
CCCC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004674341	0	31	-1.0	-35.92	287.21	6.36	-29.56
CCCC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004674341	1	31	-1.0	-35.90	287.26	6.37	-29.53
CC1=C(C(=O)OCC2=N[N-]N=N2)OC(CC2CC2)=N1	REAL250004674342	0	31	-1.0	-39.31	280.34	2.14	-37.17
CC1=C(C(=O)OCC2=NN=N[N-]2)OC(CC2CC2)=N1	REAL250004674342	1	31	-1.0	-39.31	280.40	2.15	-37.16
O=C(OCC1=N[N-]N=N1)C1=NNC2=C1CCCCC2	REAL250004674343	0	32	-1.0	-44.19	265.51	3.03	-41.16
O=C(OCC1=NN=N[N-]1)C1=NNC2=C1CCCCC2	REAL250004674343	1	32	-1.0	-44.17	265.57	3.04	-41.13
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CCOC1=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2N1	REAL250004674357	1	32	-1.0	-40.14	290.62	1.18	-38.96
COC1=CC(Cl)=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674358	0	26	-1.0	-37.91	256.48	3.59	-34.32
COC1=CC(Cl)=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674358	1	26	-1.0	-37.92	256.54	3.60	-34.32
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CN1N=C(C(F)(F)F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674372	1	25	-1.0	-33.13	250.71	2.57	-30.56
CCC1=C(C(=O)OCC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004674373	0	31	-1.0	-43.80	278.91	5.62	-38.18
CCC1=C(C(=O)OCC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004674373	1	31	-1.0	-43.82	278.96	5.64	-38.18
CC(OCCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674374	0	35	-1.0	-38.72	308.64	6.04	-32.68
CC(OCCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674374	1	35	-1.0	-38.71	308.70	6.05	-32.66
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COC(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674376	0	32	-1.0	-38.01	278.46	4.71	-33.30
COC(CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674376	1	32	-1.0	-38.01	278.52	4.73	-33.28
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O=C(OCC1=N[N-]N=N1)C1CCCC1C1=CC=CC=C1	REAL250004674378	0	35	-1.0	-38.33	292.40	6.90	-31.43
O=C(OCC1=NN=N[N-]1)C1CCCC1C1=CC=CC=C1	REAL250004674378	1	35	-1.0	-38.33	292.46	6.92	-31.41
COC(=O)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674379	0	31	-1.0	-40.84	287.22	5.23	-35.61
COC(=O)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674379	1	31	-1.0	-40.82	287.28	5.24	-35.58
O=C(OCC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004674380	0	25	-1.0	-38.05	265.12	5.75	-32.30
O=C(OCC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL250004674380	1	25	-1.0	-38.06	265.18	5.77	-32.29
COC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674381	0	33	-1.0	-39.50	289.83	5.23	-34.27
COC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674381	1	33	-1.0	-39.48	289.88	5.25	-34.23
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004674382	0	31	-1.0	-39.96	289.61	5.41	-34.55
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL250004674382	1	31	-1.0	-39.97	289.67	5.42	-34.55
O=C(OCC1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250004674383	0	27	-1.0	-46.94	263.63	0.45	-46.49
O=C(OCC1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL250004674383	1	27	-1.0	-46.97	263.57	0.43	-46.54
CC(C)(C)N1N=NC(CC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674384	0	32	-1.0	-43.07	285.78	2.15	-40.92
CC(C)(C)N1N=NC(CC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674384	1	32	-1.0	-43.05	285.83	2.16	-40.89
O=C(OCC1=N[N-]N=N1)C1=CC=C2COCCC2=C1	REAL250004674385	0	30	-1.0	-39.53	264.03	3.88	-35.65
O=C(OCC1=NN=N[N-]1)C1=CC=C2COCCC2=C1	REAL250004674385	1	30	-1.0	-39.54	264.08	3.90	-35.64
CN(C)C(=O)C1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674386	0	38	-1.0	-45.97	299.63	3.87	-42.10
CN(C)C(=O)C1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674386	1	38	-1.0	-45.91	299.68	3.87	-42.04
CC1=C(Br)C=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674387	0	24	-1.0	-35.44	239.62	3.06	-32.38
CC1=C(Br)C=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674387	1	24	-1.0	-35.46	239.68	3.07	-32.39
COC1=CC=C(OC(C)(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674388	0	36	-1.0	-38.59	299.67	4.20	-34.39
COC1=CC=C(OC(C)(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674388	1	36	-1.0	-38.53	299.73	4.22	-34.31
O=C(CCC1CC1(Cl)Cl)OCC1=N[N-]N=N1	REAL250004674389	0	25	-1.0	-38.37	256.95	4.92	-33.45
O=C(CCC1CC1(Cl)Cl)OCC1=NN=N[N-]1	REAL250004674389	1	25	-1.0	-38.33	257.01	4.93	-33.40
O=C(OCC1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004674390	0	28	-1.0	-54.33	267.21	3.72	-50.61
O=C(OCC1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL250004674390	1	28	-1.0	-54.31	267.16	3.70	-50.61
O=C(OCC1=NN=N[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250004674391	0	31	-1.0	-35.13	265.07	1.59	-33.54
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CC(C)N(CC(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004674392	0	41	-1.0	-42.62	331.25	5.18	-37.44
CC(C)N(CC(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004674392	1	41	-1.0	-42.62	331.30	5.19	-37.43
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CC(C)(C)N1N=NC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674394	0	29	-1.0	-42.04	265.60	1.62	-40.42
CC(C)(C)N1N=NC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674394	1	29	-1.0	-42.05	265.54	1.60	-40.45
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COC1=CC=C([C@@H]2C[C@H]2CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674397	0	36	-1.0	-39.89	310.24	5.97	-33.92
COC1=CC=C([C@@H]2C[C@H]2CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674397	1	36	-1.0	-39.88	310.30	5.99	-33.89
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1C#N	REAL250004674398	0	27	-1.0	-37.58	259.90	3.49	-34.09
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1C#N	REAL250004674398	1	27	-1.0	-37.55	259.96	3.51	-34.04
CC1=CC2=C(C(=O)OCC3=NN=N[N-]3)N=CN2C=C1	REAL250004674399	0	28	-1.0	-54.60	257.20	5.64	-48.96
CC1=CC2=C(C(=O)OCC3=N[N-]N=N3)N=CN2C=C1	REAL250004674399	1	28	-1.0	-54.63	257.14	5.62	-49.01
O=C(OCC1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004674400	0	24	-1.0	-38.69	260.24	3.80	-34.89
O=C(OCC1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL250004674400	1	24	-1.0	-38.66	260.19	3.78	-34.88
O=C(OCC1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250004674401	0	27	-1.0	-37.33	252.53	4.17	-33.16
O=C(OCC1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL250004674401	1	27	-1.0	-37.33	252.48	4.16	-33.17
COC1=CC2=NC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004674402	0	31	-1.0	-42.70	281.08	3.48	-39.22
COC1=CC2=NC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004674402	1	31	-1.0	-42.72	281.02	3.46	-39.26
CNC(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674403	0	31	-1.0	-50.08	281.51	1.30	-48.78
CNC(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674403	1	31	-1.0	-50.08	281.57	1.31	-48.77
C[C@H](C(=O)OCC1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL250004674404	0	33	-1.0	-50.24	291.50	5.27	-44.97
C[C@H](C(=O)OCC1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL250004674404	1	33	-1.0	-50.20	291.56	5.28	-44.92
CN1C=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)N=C21	REAL250004674405	0	27	-1.0	-46.07	254.38	4.28	-41.79
CN1C=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)N=C21	REAL250004674405	1	27	-1.0	-46.07	254.32	4.26	-41.81
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL250004674406	0	22	-1.0	-39.21	233.73	3.10	-36.11
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL250004674406	1	22	-1.0	-39.22	233.79	3.11	-36.11
CCC1=NOC(COCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674407	0	30	-1.0	-44.38	279.95	0.75	-43.63
CCC1=NOC(COCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674407	1	30	-1.0	-44.36	280.00	0.76	-43.60
O=C(CC1CCC(C(F)(F)F)O1)OCC1=N[N-]N=N1	REAL250004674408	0	29	-1.0	-42.52	267.99	3.45	-39.07
O=C(CC1CCC(C(F)(F)F)O1)OCC1=NN=N[N-]1	REAL250004674408	1	29	-1.0	-42.47	268.05	3.46	-39.01
COC1=CC2=CC(C(=O)OCC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL250004674409	0	34	-1.0	-39.62	297.16	3.97	-35.65
COC1=CC2=CC(C(=O)OCC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL250004674409	1	34	-1.0	-39.66	297.22	3.98	-35.68
O=C(OCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004674410	0	28	-1.0	-39.13	267.25	3.81	-35.32
O=C(OCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CO2)=C1	REAL250004674410	1	28	-1.0	-39.17	267.20	3.79	-35.38
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250004674411	0	23	-1.0	-40.56	241.43	1.21	-39.35
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL250004674411	1	23	-1.0	-40.57	241.37	1.19	-39.38
O=C(OCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004674412	0	29	-1.0	-51.25	276.37	3.19	-48.06
O=C(OCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250004674412	1	29	-1.0	-51.24	276.42	3.21	-48.03
O=C(OCC1=N[N-]N=N1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004674413	0	39	-1.0	-40.82	317.98	1.02	-39.80
O=C(OCC1=NN=N[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL250004674413	1	39	-1.0	-40.80	318.04	1.03	-39.77
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2CCCCC2)O1	REAL250004674415	1	37	-1.0	-41.99	311.27	3.62	-38.37
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL250004674415	1	37	-1.0	-42.01	311.33	3.64	-38.37
COC1=CC=CN2N=CC(C(=O)OCC3=NN=N[N-]3)=C12	REAL250004674416	0	29	-1.0	-48.61	263.28	3.67	-44.94
COC1=CC=CN2N=CC(C(=O)OCC3=N[N-]N=N3)=C12	REAL250004674416	1	29	-1.0	-48.58	263.22	3.66	-44.92
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(C(C)(C)C)O1	REAL250004674417	0	34	-1.0	-39.23	293.65	5.29	-33.94
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL250004674417	1	34	-1.0	-39.24	293.71	5.30	-33.94
O=C(OCC1=N[N-]N=N1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004674418	0	33	-1.0	-39.96	296.01	6.53	-33.43
O=C(OCC1=NN=N[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250004674418	1	33	-1.0	-39.93	296.07	6.54	-33.39
CC1=C(OCC(=O)OCC2=N[N-]N=N2)C(=O)C=CO1	REAL250004674419	0	28	-1.0	-49.32	263.59	3.37	-45.95
CC1=C(OCC(=O)OCC2=NN=N[N-]2)C(=O)C=CO1	REAL250004674419	1	28	-1.0	-49.30	263.65	3.38	-45.92
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])OCC1=N[N-]N=N1	REAL250004674420	0	30	-1.0	-41.93	279.74	5.81	-36.12
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])OCC1=NN=N[N-]1	REAL250004674420	1	30	-1.0	-41.90	279.78	5.82	-36.08
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)F)=NC=N1	REAL250004674421	0	23	-1.0	-39.34	235.72	2.65	-36.69
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)F)=NC=N1	REAL250004674421	1	23	-1.0	-39.32	235.78	2.66	-36.66
CCC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004674422	0	27	-1.0	-36.30	264.58	3.86	-32.44
CCC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004674422	1	27	-1.0	-36.33	264.64	3.88	-32.45
CC(=O)NC(CC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674423	0	34	-1.0	-45.07	283.83	2.87	-42.20
CC(=O)NC(CC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674423	1	34	-1.0	-45.08	283.89	2.88	-42.20
O=C(OCC1=N[N-]N=N1)C1CCC2C(CC1)C2(F)F	REAL250004674424	0	32	-1.0	-37.92	266.42	5.31	-32.61
O=C(OCC1=NN=N[N-]1)C1CCC2C(CC1)C2(F)F	REAL250004674424	1	32	-1.0	-37.91	266.47	5.33	-32.58
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1CNC2=O	REAL250004674425	0	27	-1.0	-38.85	250.98	1.16	-37.69
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1CNC2=O	REAL250004674425	1	27	-1.0	-38.85	251.04	1.17	-37.68
O=C(OCC1=NN=N[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL250004674426	0	28	-1.0	-45.49	275.00	3.61	-41.88
O=C(OCC1=N[N-]N=N1)C1=NN(CCC(F)(F)F)C=C1	REAL250004674426	1	28	-1.0	-45.49	274.95	3.60	-41.89
O=C(OCC1=NN=N[N-]1)C1=CN(C2COC2)N=N1	REAL250004674427	0	26	-1.0	-46.02	246.19	-0.72	-46.74
O=C(OCC1=N[N-]N=N1)C1=CN(C2COC2)N=N1	REAL250004674427	1	26	-1.0	-46.03	246.13	-0.74	-46.77
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)OCC1=N[N-]N=N1	REAL250004674428	0	33	-1.0	-44.22	301.80	6.31	-37.91
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)OCC1=NN=N[N-]1	REAL250004674428	1	33	-1.0	-44.20	301.86	6.32	-37.88
CCC1=C(C=CC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL250004674429	0	35	-1.0	-40.76	315.73	7.14	-33.62
CCC1=C(C=CC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL250004674429	1	35	-1.0	-40.75	315.79	7.16	-33.59
COC1=CC=C(Cl)C=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674430	0	29	-1.0	-39.64	277.46	4.43	-35.21
COC1=CC=C(Cl)C=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674430	1	29	-1.0	-39.63	277.51	4.44	-35.19
NC(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674431	0	31	-1.0	-47.55	262.33	0.37	-47.18
NC(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674431	1	31	-1.0	-47.55	262.39	0.39	-47.16
COC1=CC(C=CC(=O)OCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004674432	0	34	-1.0	-41.10	301.12	3.63	-37.47
COC1=CC(C=CC(=O)OCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004674432	1	34	-1.0	-41.10	301.17	3.65	-37.45
O=C(OCC1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2)=C1	REAL250004674433	0	29	-1.0	-42.56	269.54	3.80	-38.76
O=C(OCC1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2)=C1	REAL250004674433	1	29	-1.0	-42.61	269.60	3.81	-38.80
COC1=CC(CCC(=O)OCC2=N[N-]N=N2)=CC(OC)=C1	REAL250004674434	0	36	-1.0	-40.20	312.81	3.98	-36.22
COC1=CC(CCC(=O)OCC2=NN=N[N-]2)=CC(OC)=C1	REAL250004674434	1	36	-1.0	-40.21	312.87	3.99	-36.22
CCCCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674435	0	34	-1.0	-38.76	296.16	6.78	-31.98
CCCCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674435	1	34	-1.0	-38.77	296.22	6.80	-31.97
O=C(OCC1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C2C1	REAL250004674436	0	30	-1.0	-35.60	280.18	4.88	-30.72
O=C(OCC1=NN=N[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL250004674436	1	30	-1.0	-35.62	280.24	4.90	-30.72
NC(=O)COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674437	0	30	-1.0	-45.50	278.27	1.20	-44.30
NC(=O)COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674437	1	30	-1.0	-45.49	278.33	1.21	-44.28
CC(=O)C1=C(C)OC(CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674438	0	33	-1.0	-40.26	298.53	4.90	-35.36
CC(=O)C1=C(C)OC(CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674438	1	33	-1.0	-40.22	298.58	4.91	-35.31
O=C(CCN1CCSC1=O)OCC1=N[N-]N=N1	REAL250004674439	0	27	-1.0	-45.03	257.32	2.29	-42.74
O=C(CCN1CCSC1=O)OCC1=NN=N[N-]1	REAL250004674439	1	27	-1.0	-45.02	257.38	2.31	-42.71
CCN1C=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004674440	0	32	-1.0	-43.42	286.38	6.41	-37.01
CCN1C=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004674440	1	32	-1.0	-43.41	286.32	6.40	-37.01
O=C(CN1N=NC2=CC=CC=C2C1=O)OCC1=N[N-]N=N1	REAL250004674441	0	29	-1.0	-46.62	274.30	2.21	-44.41
O=C(CN1N=NC2=CC=CC=C2C1=O)OCC1=NN=N[N-]1	REAL250004674441	1	29	-1.0	-46.59	274.35	2.22	-44.37
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)OCC1=NN=N[N-]1	REAL250004674442	0	35	-1.0	-41.76	312.70	6.57	-35.19
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)OCC1=N[N-]N=N1	REAL250004674442	1	35	-1.0	-41.73	312.65	6.56	-35.17
O=C(OCC1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2OC1	REAL250004674443	0	28	-1.0	-37.73	271.71	4.77	-32.96
O=C(OCC1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2OC1	REAL250004674443	1	28	-1.0	-37.75	271.77	4.79	-32.96
CC1CC1C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)O1	REAL250004674444	0	33	-1.0	-39.77	294.96	6.19	-33.58
CC1CC1C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)O1	REAL250004674444	1	33	-1.0	-39.77	295.01	6.21	-33.56
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(=O)CCC2=C1	REAL250004674445	0	30	-1.0	-40.77	269.97	2.97	-37.80
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL250004674445	1	30	-1.0	-40.76	270.02	2.98	-37.78
O=C(CCSC1=CC=CC=C1F)OCC1=N[N-]N=N1	REAL250004674446	0	29	-1.0	-38.78	278.37	5.86	-32.92
O=C(CCSC1=CC=CC=C1F)OCC1=NN=N[N-]1	REAL250004674446	1	29	-1.0	-38.78	278.43	5.88	-32.90
NC(=O)COC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674447	0	30	-1.0	-56.97	276.20	1.66	-55.31
NC(=O)COC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674447	1	30	-1.0	-56.96	276.25	1.67	-55.29
O=C(CC1=CC(F)=CC2=C1OCOC2)OCC1=N[N-]N=N1	REAL250004674448	0	31	-1.0	-41.91	282.13	3.76	-38.15
O=C(CC1=CC(F)=CC2=C1OCOC2)OCC1=NN=N[N-]1	REAL250004674448	1	31	-1.0	-41.88	282.19	3.77	-38.11
CN1C=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674449	0	25	-1.0	-37.21	244.60	4.02	-33.19
CN1C=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674449	1	25	-1.0	-37.19	244.66	4.03	-33.16
CN1C(C(=O)OCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004674450	0	25	-1.0	-35.96	240.08	4.72	-31.24
CN1C(C(=O)OCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004674450	1	25	-1.0	-35.98	240.14	4.73	-31.25
CSC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674451	0	28	-1.0	-47.55	274.80	5.79	-41.76
CSC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674451	1	28	-1.0	-47.48	274.86	5.81	-41.67
CS(=O)CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674452	0	30	-1.0	-46.00	285.92	3.01	-42.99
CS(=O)CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674452	1	30	-1.0	-46.00	285.98	3.03	-42.97
CS(=O)(=O)N1CCCCC1C(=O)OCC1=N[N-]N=N1	REAL250004674453	0	33	-1.0	-45.74	278.44	1.06	-44.68
CS(=O)(=O)N1CCCCC1C(=O)OCC1=NN=N[N-]1	REAL250004674453	1	33	-1.0	-45.71	278.50	1.08	-44.63
CC(=O)NC(C(=O)OCC1=N[N-]N=N1)C1CCCC1	REAL250004674454	0	35	-1.0	-39.67	289.60	2.67	-37.00
CC(=O)NC(C(=O)OCC1=NN=N[N-]1)C1CCCC1	REAL250004674454	1	35	-1.0	-39.68	289.65	2.68	-37.00
COC1=CC(CC(=O)OCC2=N[N-]N=N2)=CC=C1C	REAL250004674455	0	32	-1.0	-39.33	281.99	4.61	-34.72
COC1=CC(CC(=O)OCC2=NN=N[N-]2)=CC=C1C	REAL250004674455	1	32	-1.0	-39.34	282.05	4.62	-34.72
O=C(OCC1=NN=N[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL250004674456	0	32	-1.0	-43.32	276.21	7.04	-36.28
O=C(OCC1=N[N-]N=N1)C1=CC=C2CCC3=C2C1=CC=C3	REAL250004674456	1	32	-1.0	-43.31	276.15	7.03	-36.28
COC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674457	0	32	-1.0	-40.49	289.54	4.73	-35.76
COC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674457	1	32	-1.0	-40.46	289.60	4.75	-35.71
CC(C)C1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674458	0	37	-1.0	-37.23	314.04	7.30	-29.93
CC(C)C1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674458	1	37	-1.0	-37.26	314.09	7.31	-29.95
O=C(CCC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004674459	0	28	-1.0	-36.98	270.54	5.89	-31.09
O=C(CCC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004674459	1	28	-1.0	-36.98	270.60	5.90	-31.08
N#CC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674460	0	29	-1.0	-39.53	274.67	5.76	-33.77
N#CC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674460	1	29	-1.0	-39.56	274.72	5.78	-33.78
O=C(CCC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004674461	0	28	-1.0	-37.42	270.54	5.87	-31.55
O=C(CCC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004674461	1	28	-1.0	-37.44	270.60	5.88	-31.56
COC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674462	0	30	-1.0	-41.93	286.99	4.89	-37.04
COC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674462	1	30	-1.0	-41.95	287.04	4.90	-37.05
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL250004674463	0	25	-1.0	-40.07	249.05	2.44	-37.63
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL250004674463	1	25	-1.0	-40.10	249.00	2.43	-37.67
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004674464	0	32	-1.0	-53.01	282.73	2.51	-50.50
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL250004674464	1	32	-1.0	-53.02	282.78	2.52	-50.50
CC(C)(C)NS(=O)(=O)CC(=O)OCC1=N[N-]N=N1	REAL250004674465	0	32	-1.0	-43.90	276.34	-0.78	-44.68
CC(C)(C)NS(=O)(=O)CC(=O)OCC1=NN=N[N-]1	REAL250004674465	1	32	-1.0	-43.91	276.39	-0.76	-44.67
CC(C)(C)CC(=O)NCC(=O)OCC1=N[N-]N=N1	REAL250004674466	0	34	-1.0	-37.74	284.57	1.93	-35.81
CC(C)(C)CC(=O)NCC(=O)OCC1=NN=N[N-]1	REAL250004674466	1	34	-1.0	-37.71	284.62	1.94	-35.77
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)SC=C1	REAL250004674467	0	28	-1.0	-39.66	258.04	4.64	-35.02
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)SC=C1	REAL250004674467	1	28	-1.0	-39.63	258.09	4.66	-34.97
COC1=CC=CC(C(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674468	0	32	-1.0	-38.95	278.98	4.34	-34.61
COC1=CC=CC(C(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674468	1	32	-1.0	-38.96	279.04	4.36	-34.60
O=C(CCNC(=O)C1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004674469	0	32	-1.0	-43.64	295.29	3.08	-40.56
O=C(CCNC(=O)C1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004674469	1	32	-1.0	-43.66	295.34	3.10	-40.56
CC1=C(C(=O)OCC2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL250004674470	0	31	-1.0	-44.01	278.87	5.53	-38.48
CC1=C(C(=O)OCC2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL250004674470	1	31	-1.0	-44.02	278.92	5.54	-38.48
O=C(CN1C=CC2=CC=C(Cl)C=C21)OCC1=N[N-]N=N1	REAL250004674471	0	29	-1.0	-40.66	282.28	6.55	-34.11
O=C(CN1C=CC2=CC=C(Cl)C=C21)OCC1=NN=N[N-]1	REAL250004674471	1	29	-1.0	-40.61	282.34	6.57	-34.04
O=C(CCC1=CC(F)=CC=C1F)OCC1=N[N-]N=N1	REAL250004674472	0	28	-1.0	-37.98	265.67	5.46	-32.52
O=C(CCC1=CC(F)=CC=C1F)OCC1=NN=N[N-]1	REAL250004674472	1	28	-1.0	-37.98	265.73	5.47	-32.51
COCCOC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674473	0	33	-1.0	-46.78	293.09	3.98	-42.80
COCCOC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674473	1	33	-1.0	-46.78	293.15	4.00	-42.78
COCCOC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674474	0	33	-1.0	-42.27	295.24	3.28	-38.99
COCCOC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674474	1	33	-1.0	-42.27	295.29	3.29	-38.98
CC1=CC=CC(C2(C(=O)OCC3=N[N-]N=N3)CC2)=C1	REAL250004674475	0	32	-1.0	-42.03	275.23	6.41	-35.62
CC1=CC=CC(C2(C(=O)OCC3=NN=N[N-]3)CC2)=C1	REAL250004674475	1	32	-1.0	-42.01	275.29	6.42	-35.59
CC(=O)NC1=CC=C(F)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674476	0	29	-1.0	-54.12	271.22	2.69	-51.43
CC(=O)NC1=CC=C(F)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674476	1	29	-1.0	-54.15	271.27	2.71	-51.44
CC(=O)NC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004674477	0	29	-1.0	-43.69	271.43	2.80	-40.89
CC(=O)NC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004674477	1	29	-1.0	-43.67	271.49	2.81	-40.86
CC(=CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1C	REAL250004674478	0	32	-1.0	-38.25	279.27	6.23	-32.02
CC(=CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1C	REAL250004674478	1	32	-1.0	-38.23	279.33	6.24	-31.99
O=C(CC1CCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674479	0	32	-1.0	-39.63	270.14	6.15	-33.48
O=C(CC1CCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674479	1	32	-1.0	-39.62	270.19	6.17	-33.45
CC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004674480	0	31	-1.0	-37.76	273.67	5.77	-31.99
CC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004674480	1	31	-1.0	-37.73	273.73	5.79	-31.94
CC1=CC=CC=C1C(C)CC(=O)OCC1=N[N-]N=N1	REAL250004674481	0	34	-1.0	-37.08	284.70	6.25	-30.83
CC1=CC=CC=C1C(C)CC(=O)OCC1=NN=N[N-]1	REAL250004674481	1	34	-1.0	-37.09	284.76	6.26	-30.83
O=C(OCC1=N[N-]N=N1)C1CC1C1=C(F)C=CC=C1F	REAL250004674482	0	29	-1.0	-39.84	264.74	5.74	-34.10
O=C(OCC1=NN=N[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL250004674482	1	29	-1.0	-39.81	264.80	5.75	-34.06
O=C(CCCN1C=CC=CC1=O)OCC1=N[N-]N=N1	REAL250004674483	0	31	-1.0	-49.00	279.11	4.44	-44.56
O=C(CCCN1C=CC=CC1=O)OCC1=NN=N[N-]1	REAL250004674483	1	31	-1.0	-48.96	279.16	4.45	-44.51
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004674484	0	28	-1.0	-51.59	257.63	2.83	-48.76
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004674484	1	28	-1.0	-51.60	257.69	2.84	-48.76
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=CC=N2)=C1	REAL250004674485	0	29	-1.0	-45.02	268.66	4.99	-40.03
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=CC=N2)=C1	REAL250004674485	1	29	-1.0	-45.03	268.60	4.97	-40.06
CCCCCCC(CC)C(=O)OCC1=N[N-]N=N1	REAL250004674486	0	39	-1.0	-37.10	313.16	6.69	-30.41
CCCCCCC(CC)C(=O)OCC1=NN=N[N-]1	REAL250004674486	1	39	-1.0	-37.10	313.22	6.71	-30.39
CCC1=NC(C(=O)OCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL250004674487	0	34	-1.0	-47.90	305.50	5.89	-42.01
CCC1=NC(C(=O)OCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL250004674487	1	34	-1.0	-47.90	305.56	5.91	-41.99
CC(C)(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674488	0	34	-1.0	-37.12	285.69	6.17	-30.95
CC(C)(CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674488	1	34	-1.0	-37.12	285.75	6.18	-30.94
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OC1CCC1	REAL250004674489	0	33	-1.0	-44.19	286.04	6.12	-38.07
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OC1CCC1	REAL250004674489	1	33	-1.0	-44.17	286.10	6.14	-38.03
O=C(OCC1=N[N-]N=N1)C1CSC2=CC=CC=C21	REAL250004674490	0	27	-1.0	-39.21	255.23	5.29	-33.92
O=C(OCC1=NN=N[N-]1)C1CSC2=CC=CC=C21	REAL250004674490	1	27	-1.0	-39.17	255.29	5.31	-33.86
COC1=CC=C(COCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674491	0	36	-1.0	-39.02	317.35	3.96	-35.06
COC1=CC=C(COCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674491	1	36	-1.0	-39.01	317.40	3.98	-35.03
CCC(OC1=CC=CC=C1F)C(=O)OCC1=N[N-]N=N1	REAL250004674492	0	32	-1.0	-41.47	280.41	5.28	-36.19
CCC(OC1=CC=CC=C1F)C(=O)OCC1=NN=N[N-]1	REAL250004674492	1	32	-1.0	-41.46	280.47	5.30	-36.16
CCC(OC1=CC=CC=C1Cl)C(=O)OCC1=N[N-]N=N1	REAL250004674493	0	32	-1.0	-39.86	290.21	5.76	-34.10
CCC(OC1=CC=CC=C1Cl)C(=O)OCC1=NN=N[N-]1	REAL250004674493	1	32	-1.0	-39.86	290.27	5.78	-34.08
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004674494	0	32	-1.0	-43.60	292.42	4.99	-38.61
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL250004674494	1	32	-1.0	-43.63	292.48	5.00	-38.63
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)O1	REAL250004674495	0	30	-1.0	-41.19	284.63	6.03	-35.16
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL250004674495	1	30	-1.0	-41.20	284.68	6.04	-35.16
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL250004674496	0	30	-1.0	-41.73	264.03	4.58	-37.15
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL250004674496	1	30	-1.0	-41.71	264.09	4.60	-37.11
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(F)C=C1F	REAL250004674497	0	25	-1.0	-36.58	241.51	4.50	-32.08
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(F)C=C1F	REAL250004674497	1	25	-1.0	-36.57	241.57	4.52	-32.05
CC(C(=O)OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL250004674498	0	31	-1.0	-42.22	280.48	6.01	-36.21
CC(C(=O)OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL250004674498	1	31	-1.0	-42.16	280.53	6.03	-36.13
O=C(CCCCC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004674499	0	34	-1.0	-37.97	313.54	7.45	-30.52
O=C(CCCCC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004674499	1	34	-1.0	-37.97	313.59	7.46	-30.51
CCC(OC1=CC=CC(C)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674500	0	35	-1.0	-38.23	295.46	5.87	-32.36
CCC(OC1=CC=CC(C)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674500	1	35	-1.0	-38.24	295.52	5.89	-32.35
CC(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004674501	0	34	-1.0	-36.54	300.83	6.80	-29.74
CC(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004674501	1	34	-1.0	-36.52	300.90	6.81	-29.71
CCC(OC1=CC=CC=C1C)C(=O)OCC1=N[N-]N=N1	REAL250004674502	0	35	-1.0	-38.38	294.26	5.94	-32.44
CCC(OC1=CC=CC=C1C)C(=O)OCC1=NN=N[N-]1	REAL250004674502	1	35	-1.0	-38.39	294.32	5.95	-32.44
CCCOC1=CC=C(Cl)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674503	0	32	-1.0	-42.24	297.68	6.05	-36.19
CCCOC1=CC=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674503	1	32	-1.0	-42.23	297.74	6.06	-36.17
O=C(OCC1=N[N-]N=N1)C1=CC=C(F)C=C1OC(F)F	REAL250004674504	0	26	-1.0	-38.41	253.76	4.18	-34.23
O=C(OCC1=NN=N[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL250004674504	1	26	-1.0	-38.38	253.81	4.19	-34.19
COC1=CC=C(C(C)C(=O)OCC2=N[N-]N=N2)C=C1OC	REAL250004674505	0	36	-1.0	-40.41	308.20	4.25	-36.16
COC1=CC=C(C(C)C(=O)OCC2=NN=N[N-]2)C=C1OC	REAL250004674505	1	36	-1.0	-40.39	308.26	4.26	-36.13
CC(C)(C)C(=O)N1CSCC1C(=O)OCC1=N[N-]N=N1	REAL250004674506	0	36	-1.0	-44.03	300.32	4.32	-39.71
CC(C)(C)C(=O)N1CSCC1C(=O)OCC1=NN=N[N-]1	REAL250004674506	1	36	-1.0	-44.04	300.38	4.34	-39.70
CCCCC(=O)N1CSCC1C(=O)OCC1=N[N-]N=N1	REAL250004674507	0	36	-1.0	-44.32	314.86	5.12	-39.20
CCCCC(=O)N1CSCC1C(=O)OCC1=NN=N[N-]1	REAL250004674507	1	36	-1.0	-44.31	314.91	5.13	-39.18
CCC(C)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674508	0	35	-1.0	-38.72	300.22	5.45	-33.27
CCC(C)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674508	1	35	-1.0	-38.72	300.27	5.46	-33.26
COC1=CC=C(C(C)CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674509	0	35	-1.0	-38.28	296.74	5.00	-33.28
COC1=CC=C(C(C)CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674509	1	35	-1.0	-38.30	296.80	5.02	-33.28
COCCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674510	0	36	-1.0	-39.21	316.71	3.89	-35.32
COCCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674510	1	36	-1.0	-39.20	316.77	3.91	-35.29
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL250004674511	0	25	-1.0	-37.20	258.50	4.86	-32.34
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL250004674511	1	25	-1.0	-37.21	258.56	4.87	-32.34
CC1=NC(CCCC(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674512	0	30	-1.0	-41.41	281.56	3.86	-37.55
CC1=NC(CCCC(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674512	1	30	-1.0	-41.38	281.62	3.88	-37.50
CCC1=CC=C(C(C)(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674513	0	37	-1.0	-38.54	308.21	6.89	-31.65
CCC1=CC=C(C(C)(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674513	1	37	-1.0	-38.50	308.27	6.91	-31.59
CC(=CC(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004674514	0	29	-1.0	-37.75	278.90	6.21	-31.54
CC(=CC(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004674514	1	29	-1.0	-37.75	278.96	6.23	-31.52
CC1=CC2=C(C(=O)OCC3=N[N-]N=N3)C=C(C)N=C2C=C1	REAL250004674515	0	33	-1.0	-39.09	289.34	5.28	-33.81
CC1=CC2=C(C(=O)OCC3=NN=N[N-]3)C=C(C)N=C2C=C1	REAL250004674515	1	33	-1.0	-39.06	289.40	5.30	-33.76
O=C(OCC1=N[N-]N=N1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004674516	0	33	-1.0	-37.93	290.11	7.08	-30.85
O=C(OCC1=NN=N[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250004674516	1	33	-1.0	-37.92	290.17	7.09	-30.83
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C(CC)CC	REAL250004674517	0	40	-1.0	-41.49	328.55	5.64	-35.85
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C(CC)CC	REAL250004674517	1	40	-1.0	-41.46	328.60	5.66	-35.80
COC1=CC(OC2CC2)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674518	0	34	-1.0	-41.69	298.04	4.81	-36.88
COC1=CC(OC2CC2)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674518	1	34	-1.0	-41.65	298.10	4.82	-36.83
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCC2)C=C1	REAL250004674519	0	32	-1.0	-38.58	275.99	6.38	-32.20
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCC2)C=C1	REAL250004674519	1	32	-1.0	-38.56	276.05	6.39	-32.17
CC(C)(C)N1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004674520	0	30	-1.0	-45.38	269.74	2.10	-43.28
CC(C)(C)N1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004674520	1	30	-1.0	-45.37	269.68	2.08	-43.29
CCOC1=NC(C)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674521	0	31	-1.0	-41.58	278.75	2.79	-38.79
CCOC1=NC(C)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674521	1	31	-1.0	-41.56	278.81	2.81	-38.75
O=C(CCOCC(F)(F)C(F)F)OCC1=N[N-]N=N1	REAL250004674522	0	28	-1.0	-40.36	272.09	3.09	-37.27
O=C(CCOCC(F)(F)C(F)F)OCC1=NN=N[N-]1	REAL250004674522	1	28	-1.0	-40.35	272.15	3.11	-37.24
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL250004674523	0	31	-1.0	-40.28	282.38	4.34	-35.94
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL250004674523	1	31	-1.0	-40.30	282.44	4.36	-35.94
CCCOC1=NC(C)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674524	0	34	-1.0	-41.48	300.25	3.59	-37.89
CCCOC1=NC(C)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674524	1	34	-1.0	-41.51	300.31	3.61	-37.90
CC(C)CC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674525	0	34	-1.0	-40.07	283.67	6.19	-33.88
CC(C)CC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674525	1	34	-1.0	-40.07	283.73	6.21	-33.86
O=C(OCC1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C21	REAL250004674526	0	27	-1.0	-38.41	263.01	4.11	-34.30
O=C(OCC1=NN=N[N-]1)C1COC2=CC=C(Cl)C=C21	REAL250004674526	1	27	-1.0	-38.37	263.07	4.13	-34.24
CC1=CC=CC2=C1C(C)CC2CC(=O)OCC1=N[N-]N=N1	REAL250004674527	0	38	-1.0	-37.53	308.90	7.35	-30.18
CC1=CC=CC2=C1C(C)CC2CC(=O)OCC1=NN=N[N-]1	REAL250004674527	1	38	-1.0	-37.55	308.95	7.37	-30.18
NC(=O)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674528	0	29	-1.0	-43.68	266.95	1.35	-42.33
NC(=O)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674528	1	29	-1.0	-43.69	267.01	1.36	-42.33
CC1=CC=CC(Cl)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674529	0	28	-1.0	-39.01	263.48	5.52	-33.49
CC1=CC=CC(Cl)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674529	1	28	-1.0	-39.00	263.53	5.53	-33.47
CC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=C1Cl	REAL250004674530	0	28	-1.0	-39.49	265.38	5.58	-33.91
CC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004674530	1	28	-1.0	-39.48	265.44	5.60	-33.88
CCN1C=C([N+](=O)[O-])C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674531	0	27	-1.0	-49.49	259.17	3.50	-45.99
CCN1C=C([N+](=O)[O-])C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674531	1	27	-1.0	-49.50	259.11	3.48	-46.02
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CCC(C)C	REAL250004674532	0	40	-1.0	-40.70	334.84	5.64	-35.06
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CCC(C)C	REAL250004674532	1	40	-1.0	-40.68	334.90	5.65	-35.03
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004674533	0	28	-1.0	-40.49	265.69	3.26	-37.23
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL250004674533	1	28	-1.0	-40.47	265.75	3.27	-37.20
O=C(OCC1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004674534	0	25	-1.0	-34.62	249.85	2.88	-31.74
O=C(OCC1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250004674534	1	25	-1.0	-34.61	249.91	2.89	-31.72
CCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(OC)=C1	REAL250004674535	0	36	-1.0	-41.29	310.34	4.88	-36.41
CCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(OC)=C1	REAL250004674535	1	36	-1.0	-41.30	310.40	4.89	-36.41
CC(OCC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674536	0	32	-1.0	-39.84	293.56	5.33	-34.51
CC(OCC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674536	1	32	-1.0	-39.82	293.61	5.35	-34.47
O=C(OCC1=NN=N[N-]1)C1=CC=NN1CC(F)(F)F	REAL250004674537	0	25	-1.0	-37.99	247.56	2.86	-35.13
O=C(OCC1=N[N-]N=N1)C1=CC=NN1CC(F)(F)F	REAL250004674537	1	25	-1.0	-38.02	247.50	2.85	-35.17
CC(C)(C)C(=O)CCCC(=O)OCC1=N[N-]N=N1	REAL250004674538	0	35	-1.0	-43.38	295.97	4.87	-38.51
CC(C)(C)C(=O)CCCC(=O)OCC1=NN=N[N-]1	REAL250004674538	1	35	-1.0	-43.38	296.03	4.89	-38.49
O=C(OCC1=NN=N[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004674539	0	34	-1.0	-45.68	312.55	4.79	-40.89
O=C(OCC1=N[N-]N=N1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL250004674539	1	34	-1.0	-45.72	312.49	4.77	-40.95
O=C(OCC1=N[N-]N=N1)C1=COC2=C1C(=O)CCC2	REAL250004674540	0	28	-1.0	-49.61	254.85	4.49	-45.12
O=C(OCC1=NN=N[N-]1)C1=COC2=C1C(=O)CCC2	REAL250004674540	1	28	-1.0	-49.59	254.91	4.50	-45.09
C=CCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674541	0	33	-1.0	-39.33	296.67	5.37	-33.96
C=CCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674541	1	33	-1.0	-39.32	296.73	5.39	-33.93
CC=CCOC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674542	0	36	-1.0	-40.31	318.38	6.24	-34.07
CC=CCOC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674542	1	36	-1.0	-40.27	318.44	6.25	-34.02
O=C(OCC1=N[N-]N=N1)C1(C(F)(F)F)CCC1	REAL250004674543	0	25	-1.0	-38.18	234.08	3.71	-34.47
O=C(OCC1=NN=N[N-]1)C1(C(F)(F)F)CCC1	REAL250004674543	1	25	-1.0	-38.17	234.14	3.72	-34.45
CCOCC1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674544	0	31	-1.0	-38.63	291.02	2.22	-36.41
CCOCC1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674544	1	31	-1.0	-38.66	291.08	2.23	-36.43
O=C(OCC1=NN=N[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004674545	0	35	-1.0	-46.69	316.78	6.26	-40.43
O=C(OCC1=N[N-]N=N1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL250004674545	1	35	-1.0	-46.74	316.72	6.24	-40.50
O=C(OCC1=NN=N[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004674546	0	32	-1.0	-49.06	297.77	3.47	-45.59
O=C(OCC1=N[N-]N=N1)C1=NN(CCN2C=CC=N2)C=C1	REAL250004674546	1	32	-1.0	-49.08	297.71	3.46	-45.62
CC1=C(C(=O)OCC2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL250004674547	0	28	-1.0	-34.14	265.64	3.41	-30.73
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL250004674547	1	28	-1.0	-34.13	265.70	3.43	-30.70
COC1=CC(CC(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004674548	0	29	-1.0	-39.06	277.95	4.41	-34.65
COC1=CC(CC(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004674548	1	29	-1.0	-39.06	278.01	4.43	-34.63
CC(C)CC(CC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674549	0	39	-1.0	-37.82	299.88	5.82	-32.00
CC(C)CC(CC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674549	1	39	-1.0	-37.81	299.93	5.84	-31.97
O=C(CC1COC2=CC=CC=C2O1)OCC1=N[N-]N=N1	REAL250004674550	0	31	-1.0	-43.10	275.63	4.23	-38.87
O=C(CC1COC2=CC=CC=C2O1)OCC1=NN=N[N-]1	REAL250004674550	1	31	-1.0	-43.12	275.68	4.24	-38.88
O=C(OCC1=NN=N[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250004674551	0	25	-1.0	-39.01	248.79	1.23	-37.78
O=C(OCC1=N[N-]N=N1)C1=CC=NC(OC(F)F)=C1	REAL250004674551	1	25	-1.0	-38.97	248.73	1.21	-37.76
O=C(CC(N1C=CC=N1)C(F)(F)F)OCC1=NN=N[N-]1	REAL250004674552	0	28	-1.0	-40.00	265.14	3.53	-36.47
O=C(CC(N1C=CC=N1)C(F)(F)F)OCC1=N[N-]N=N1	REAL250004674552	1	28	-1.0	-40.04	265.09	3.50	-36.54
O=C(OCC1=NN=N[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004674553	0	24	-1.0	-38.50	254.65	3.56	-34.94
O=C(OCC1=N[N-]N=N1)C1=C(Cl)N=C2C=CSC2=C1	REAL250004674553	1	24	-1.0	-38.48	254.59	3.54	-34.94
CC(C)(C)OC(=O)C1(C(=O)OCC2=N[N-]N=N2)CC=CC1	REAL250004674554	0	38	-1.0	-38.38	315.07	5.99	-32.39
CC(C)(C)OC(=O)C1(C(=O)OCC2=NN=N[N-]2)CC=CC1	REAL250004674554	1	38	-1.0	-38.37	315.13	6.00	-32.37
CC(C)(C)OC(=O)C(C(=O)OCC1=N[N-]N=N1)C(C)(C)C	REAL250004674555	0	42	-1.0	-40.23	326.91	6.40	-33.83
CC(C)(C)OC(=O)C(C(=O)OCC1=NN=N[N-]1)C(C)(C)C	REAL250004674555	1	42	-1.0	-40.20	326.98	6.41	-33.79
CC(C)(C)OC(=O)C(C(=O)OCC1=N[N-]N=N1)C1CC1	REAL250004674556	0	37	-1.0	-40.44	307.79	6.13	-34.31
CC(C)(C)OC(=O)C(C(=O)OCC1=NN=N[N-]1)C1CC1	REAL250004674556	1	37	-1.0	-40.41	307.85	6.14	-34.27
CC(C)(C)OC(=O)C1(C(=O)OCC2=N[N-]N=N2)CCC1	REAL250004674557	0	37	-1.0	-38.97	306.26	5.65	-33.32
CC(C)(C)OC(=O)C1(C(=O)OCC2=NN=N[N-]2)CCC1	REAL250004674557	1	37	-1.0	-38.96	306.32	5.67	-33.29
CN1C=CC(C(=O)OCC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004674558	0	33	-1.0	-45.93	289.58	6.55	-39.38
CN1C=CC(C(=O)OCC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004674558	1	33	-1.0	-45.94	289.53	6.53	-39.41
CC1=CC([N+](=O)[O-])=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674559	0	26	-1.0	-40.09	256.17	3.25	-36.84
CC1=CC([N+](=O)[O-])=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674559	1	26	-1.0	-40.10	256.23	3.27	-36.83
CC1(C)CC(C(=O)OCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004674560	0	40	-1.0	-36.83	305.58	5.98	-30.85
CC1(C)CC(C(=O)OCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004674560	1	40	-1.0	-36.80	305.63	5.99	-30.81
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1COCC2	REAL250004674561	0	30	-1.0	-40.41	258.40	3.75	-36.66
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1COCC2	REAL250004674561	1	30	-1.0	-40.39	258.45	3.77	-36.62
COC(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)O1	REAL250004674562	0	28	-1.0	-40.59	267.45	3.32	-37.27
COC(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)O1	REAL250004674562	1	28	-1.0	-40.55	267.51	3.33	-37.22
O=C(OCC1=NN=N[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004674563	0	25	-1.0	-46.70	247.15	3.87	-42.83
O=C(OCC1=N[N-]N=N1)C1=C2C(Cl)=CC=CN2N=C1	REAL250004674563	1	25	-1.0	-46.68	247.09	3.85	-42.83
CC(=O)NC(CCC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674564	0	37	-1.0	-45.32	305.72	3.64	-41.68
CC(=O)NC(CCC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674564	1	37	-1.0	-45.32	305.78	3.66	-41.66
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004674565	0	32	-1.0	-38.27	277.53	6.45	-31.82
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004674565	1	32	-1.0	-38.27	277.59	6.47	-31.80
O=C(OCC1=N[N-]N=N1)C1CC2=CC=CC=C2CO1	REAL250004674566	0	30	-1.0	-39.01	264.84	4.70	-34.31
O=C(OCC1=NN=N[N-]1)C1CC2=CC=CC=C2CO1	REAL250004674566	1	30	-1.0	-39.01	264.90	4.71	-34.30
COC(C(=O)OCC1=N[N-]N=N1)C1CCCCC1	REAL250004674567	0	35	-1.0	-37.98	285.88	4.63	-33.35
COC(C(=O)OCC1=NN=N[N-]1)C1CCCCC1	REAL250004674567	1	35	-1.0	-37.93	285.93	4.65	-33.28
CC1CC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2O1	REAL250004674568	0	30	-1.0	-39.09	267.16	4.36	-34.73
CC1CC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2O1	REAL250004674568	1	30	-1.0	-39.09	267.21	4.38	-34.71
O=C(OCC1=N[N-]N=N1)C1CC2(C1)CCCCC2	REAL250004674569	0	35	-1.0	-36.81	278.80	5.79	-31.02
O=C(OCC1=NN=N[N-]1)C1CC2(C1)CCCCC2	REAL250004674569	1	35	-1.0	-36.76	278.86	5.81	-30.95
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004674570	0	28	-1.0	-40.46	268.39	6.40	-34.06
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL250004674570	1	28	-1.0	-40.47	268.44	6.42	-34.05
COCC1=CSC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674571	0	26	-1.0	-39.44	256.71	2.55	-36.89
COCC1=CSC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674571	1	26	-1.0	-39.45	256.77	2.56	-36.89
CCC1(C(=O)OCC2=N[N-]N=N2)CCC(F)(F)CC1	REAL250004674572	0	34	-1.0	-37.97	270.92	5.12	-32.85
CCC1(C(=O)OCC2=NN=N[N-]2)CCC(F)(F)CC1	REAL250004674572	1	34	-1.0	-37.99	270.97	5.13	-32.86
CN1N=CC(C(F)(F)F)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674573	0	25	-1.0	-34.95	245.63	2.54	-32.41
CN1N=CC(C(F)(F)F)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674573	1	25	-1.0	-34.94	245.58	2.53	-32.41
O=C(OCC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004674574	0	34	-1.0	-40.08	278.30	4.22	-35.86
O=C(OCC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL250004674574	1	34	-1.0	-40.10	278.34	4.23	-35.87
CC1=CC=C(Br)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674575	0	24	-1.0	-44.51	243.93	3.07	-41.44
CC1=CC=C(Br)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674575	1	24	-1.0	-44.50	243.99	3.08	-41.42
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1F	REAL250004674576	0	26	-1.0	-40.99	253.98	3.38	-37.61
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL250004674576	1	26	-1.0	-40.97	254.04	3.39	-37.58
CN1C(=O)CCC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004674577	0	33	-1.0	-41.63	286.95	4.68	-36.95
CN1C(=O)CCC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004674577	1	33	-1.0	-41.63	287.01	4.69	-36.94
O=C(C=CCl)NCCC(=O)OCC1=N[N-]N=N1	REAL250004674578	0	26	-1.0	-41.95	262.23	1.05	-40.90
O=C(C=CCl)NCCC(=O)OCC1=NN=N[N-]1	REAL250004674578	1	26	-1.0	-41.95	262.29	1.07	-40.88
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CN=C1Br	REAL250004674579	0	24	-1.0	-36.91	244.97	3.09	-33.82
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CN=C1Br	REAL250004674579	1	24	-1.0	-36.93	244.92	3.07	-33.86
CCCC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(=O)N1	REAL250004674580	0	31	-1.0	-39.48	279.61	2.77	-36.71
CCCC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(=O)N1	REAL250004674580	1	31	-1.0	-39.47	279.67	2.79	-36.68
O=C(OCC1=N[N-]N=N1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004674581	0	25	-1.0	-43.36	251.86	1.74	-41.62
O=C(OCC1=NN=N[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL250004674581	1	25	-1.0	-43.34	251.91	1.76	-41.58
CCSC1=CNC(=O)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674582	0	29	-1.0	-54.32	274.62	3.45	-50.87
CCSC1=CNC(=O)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674582	1	29	-1.0	-54.33	274.68	3.46	-50.87
O=C(OCC1=N[N-]N=N1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004674583	0	28	-1.0	-45.77	270.59	3.54	-42.23
O=C(OCC1=NN=N[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL250004674583	1	28	-1.0	-45.79	270.64	3.55	-42.24
CC1=C(C(=O)OCC2=N[N-]N=N2)C(Br)=NN1	REAL250004674584	0	22	-1.0	-40.44	234.90	1.34	-39.10
CC1=C(C(=O)OCC2=NN=N[N-]2)C(Br)=NN1	REAL250004674584	1	22	-1.0	-40.44	234.96	1.35	-39.09
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)OCC1=NN=N[N-]1	REAL250004674585	0	30	-1.0	-52.38	280.94	0.44	-51.94
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)OCC1=N[N-]N=N1	REAL250004674585	1	30	-1.0	-52.38	280.89	0.43	-51.95
CC1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CNC2=N1	REAL250004674586	0	27	-1.0	-53.91	252.47	2.63	-51.28
CC1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CNC2=N1	REAL250004674586	1	27	-1.0	-53.93	252.53	2.65	-51.28
CC1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CN=C2N1	REAL250004674586	1	27	-1.0	-45.76	252.63	2.64	-43.12
CC1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CN=C2N1	REAL250004674586	1	27	-1.0	-45.76	252.69	2.65	-43.11
CC1=NN(CC(=O)OCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004674587	0	30	-1.0	-47.08	277.96	3.96	-43.12
CC1=NN(CC(=O)OCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004674587	1	30	-1.0	-47.10	278.01	3.97	-43.13
C[C@H](NC(=O)CN1C=NN=N1)C(=O)OCC1=NN=N[N-]1	REAL250004674588	0	30	-1.0	-51.41	280.92	0.43	-50.98
C[C@H](NC(=O)CN1C=NN=N1)C(=O)OCC1=N[N-]N=N1	REAL250004674588	1	30	-1.0	-51.41	280.86	0.42	-50.99
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674589	0	37	-1.0	-39.57	312.83	6.36	-33.21
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674589	1	37	-1.0	-39.60	312.89	6.37	-33.23
CC1=C(C=CC(=O)OCC2=N[N-]N=N2)SC=N1	REAL250004674590	0	25	-1.0	-39.93	246.98	2.83	-37.10
CC1=C(C=CC(=O)OCC2=NN=N[N-]2)SC=N1	REAL250004674590	1	25	-1.0	-39.92	247.04	2.85	-37.07
O=C(C=CC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004674591	0	26	-1.0	-38.07	258.90	5.55	-32.52
O=C(C=CC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004674591	1	26	-1.0	-38.08	258.96	5.56	-32.52
CC(C)(C)C1=NC=C(C=CC(=O)OCC2=N[N-]N=N2)S1	REAL250004674592	0	34	-1.0	-39.71	308.66	4.82	-34.89
CC(C)(C)C1=NC=C(C=CC(=O)OCC2=NN=N[N-]2)S1	REAL250004674592	1	34	-1.0	-39.69	308.72	4.83	-34.86
CC1=CC=CC=C1C1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674593	0	35	-1.0	-40.89	299.19	7.58	-33.31
CC1=CC=CC=C1C1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674593	1	35	-1.0	-40.91	299.13	7.56	-33.35
C=CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1OC	REAL250004674594	0	34	-1.0	-38.97	303.66	4.50	-34.47
C=CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1OC	REAL250004674594	1	34	-1.0	-38.95	303.71	4.51	-34.44
CC(=O)N1CCC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004674595	0	33	-1.0	-40.83	286.76	4.68	-36.15
CC(=O)N1CCC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004674595	1	33	-1.0	-40.80	286.82	4.69	-36.11
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL250004674596	0	34	-1.0	-40.17	296.60	3.63	-36.54
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL250004674596	1	34	-1.0	-40.19	296.66	3.65	-36.54
CC(C)=CC1C(C(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004674597	0	35	-1.0	-39.73	289.69	6.04	-33.69
CC(C)=CC1C(C(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004674597	1	35	-1.0	-39.73	289.75	6.06	-33.67
O=C(C=CC1=CC(Cl)=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004674598	0	26	-1.0	-38.30	273.16	5.97	-32.33
O=C(C=CC1=CC(Cl)=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004674598	1	26	-1.0	-38.33	273.22	5.99	-32.34
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004674599	0	26	-1.0	-37.26	275.64	6.06	-31.20
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004674599	1	26	-1.0	-37.20	275.70	6.08	-31.12
COC1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674600	0	32	-1.0	-39.16	283.32	4.66	-34.50
COC1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674600	1	32	-1.0	-39.15	283.38	4.67	-34.48
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL250004674601	0	32	-1.0	-41.68	287.12	5.37	-36.31
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL250004674601	1	32	-1.0	-41.67	287.18	5.38	-36.29
COC1=CC=C(SCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674602	0	33	-1.0	-38.03	302.08	5.12	-32.91
COC1=CC=C(SCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674602	1	33	-1.0	-37.99	302.14	5.13	-32.86
CC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674603	0	31	-1.0	-37.60	289.27	6.46	-31.14
CC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674603	1	31	-1.0	-37.61	289.33	6.48	-31.13
O=C(OCC1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL250004674604	0	25	-1.0	-40.29	244.50	5.03	-35.26
O=C(OCC1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL250004674604	1	25	-1.0	-40.28	244.56	5.04	-35.24
N#CC1=CC=CC=C1C=CC(=O)OCC1=N[N-]N=N1	REAL250004674605	0	27	-1.0	-43.37	261.29	5.26	-38.11
N#CC1=CC=CC=C1C=CC(=O)OCC1=NN=N[N-]1	REAL250004674605	1	27	-1.0	-43.36	261.34	5.27	-38.09
CC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004674606	0	34	-1.0	-37.41	290.56	6.51	-30.90
CC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004674606	1	34	-1.0	-37.39	290.62	6.52	-30.87
CSC1=NC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674607	0	24	-1.0	-41.73	256.78	2.74	-38.99
CSC1=NC=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674607	1	24	-1.0	-41.74	256.72	2.72	-39.02
CC1=NN(C)C(C)=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004674608	0	34	-1.0	-40.91	295.70	4.14	-36.77
CC1=NN(C)C(C)=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004674608	1	34	-1.0	-40.95	295.76	4.15	-36.80
CC1=NN(C)C(C)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674609	0	31	-1.0	-42.12	274.30	3.35	-38.77
CC1=NN(C)C(C)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674609	1	31	-1.0	-42.10	274.36	3.37	-38.73
O=C(C=CC1=CC=CC=C1OC(F)F)OCC1=N[N-]N=N1	REAL250004674610	0	30	-1.0	-41.78	279.68	4.67	-37.11
O=C(C=CC1=CC=CC=C1OC(F)F)OCC1=NN=N[N-]1	REAL250004674610	1	30	-1.0	-41.77	279.73	4.68	-37.09
O=C(CNC(=O)NC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674611	0	31	-1.0	-40.50	281.53	1.59	-38.91
O=C(CNC(=O)NC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674611	1	31	-1.0	-40.47	281.59	1.60	-38.87
O=C(C=CC1=CC=C2OCCC2=C1)OCC1=N[N-]N=N1	REAL250004674612	0	31	-1.0	-40.78	277.45	4.88	-35.90
O=C(C=CC1=CC=C2OCCC2=C1)OCC1=NN=N[N-]1	REAL250004674612	1	31	-1.0	-40.80	277.50	4.90	-35.90
O=C(C=CC1=CC2=CC=CC=C2O1)OCC1=N[N-]N=N1	REAL250004674613	0	29	-1.0	-42.46	271.76	5.62	-36.84
O=C(C=CC1=CC2=CC=CC=C2O1)OCC1=NN=N[N-]1	REAL250004674613	1	29	-1.0	-42.44	271.82	5.64	-36.80
CC(C)N1N=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C21	REAL250004674614	0	33	-1.0	-39.81	297.39	4.51	-35.30
CC(C)N1N=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C21	REAL250004674614	1	33	-1.0	-39.75	297.34	4.50	-35.25
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2CCNC2=O)C=C1	REAL250004674615	0	32	-1.0	-49.70	282.63	2.50	-47.20
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL250004674615	1	32	-1.0	-49.67	282.68	2.51	-47.16
CC(C)C1CCC(C)CC1OCC(=O)OCC1=N[N-]N=N1	REAL250004674616	0	44	-1.0	-38.42	341.47	6.45	-31.97
CC(C)C1CCC(C)CC1OCC(=O)OCC1=NN=N[N-]1	REAL250004674616	1	44	-1.0	-38.39	341.53	6.46	-31.93
CC(=O)NC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CS1	REAL250004674617	0	32	-1.0	-42.21	302.00	3.19	-39.02
CC(=O)NC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CS1	REAL250004674617	1	32	-1.0	-42.20	302.06	3.21	-38.99
CCC(C)C1=CC=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004674618	0	38	-1.0	-39.46	318.39	6.66	-32.80
CCC(C)C1=CC=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004674618	1	38	-1.0	-39.47	318.45	6.68	-32.79
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004674619	0	28	-1.0	-40.33	267.93	3.75	-36.58
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004674619	1	28	-1.0	-40.35	267.99	3.76	-36.59
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)OCC1=N[N-]N=N1	REAL250004674620	0	34	-1.0	-49.67	301.61	6.11	-43.56
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)OCC1=NN=N[N-]1	REAL250004674620	1	34	-1.0	-49.59	301.67	6.12	-43.47
CC(C)N1C=NN=C1SCC(=O)OCC1=NN=N[N-]1	REAL250004674621	0	31	-1.0	-42.66	291.17	5.60	-37.06
CC(C)N1C=NN=C1SCC(=O)OCC1=N[N-]N=N1	REAL250004674621	1	31	-1.0	-42.62	291.11	5.58	-37.04
CC1=NN(C)C(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674622	0	25	-1.0	-39.41	252.37	2.56	-36.85
CC1=NN(C)C(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674622	1	25	-1.0	-39.42	252.43	2.58	-36.84
CC1=NN(C)C(Cl)=C1C=CC(=O)OCC1=N[N-]N=N1	REAL250004674623	0	29	-1.0	-40.03	283.80	3.86	-36.17
CC1=NN(C)C(Cl)=C1C=CC(=O)OCC1=NN=N[N-]1	REAL250004674623	1	29	-1.0	-40.02	283.85	3.88	-36.14
O=C(OCC1=N[N-]N=N1)C1CC(=O)NC2=CC=CC=C21	REAL250004674624	0	30	-1.0	-44.67	269.06	2.85	-41.82
O=C(OCC1=NN=N[N-]1)C1CC(=O)NC2=CC=CC=C21	REAL250004674624	1	30	-1.0	-44.65	269.12	2.87	-41.78
NC(=O)NC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674625	0	34	-1.0	-42.01	294.44	0.94	-41.07
NC(=O)NC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674625	1	34	-1.0	-42.00	294.50	0.93	-41.07
CN1C(=O)CC(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004674626	0	33	-1.0	-45.43	286.00	4.60	-40.83
CN1C(=O)CC(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004674626	1	33	-1.0	-45.44	286.06	4.62	-40.82
O=C(C=CC1=CC=CC2=CC=CC=C12)OCC1=N[N-]N=N1	REAL250004674627	0	32	-1.0	-40.88	284.86	7.19	-33.69
O=C(C=CC1=CC=CC2=CC=CC=C12)OCC1=NN=N[N-]1	REAL250004674627	1	32	-1.0	-40.90	284.92	7.20	-33.70
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2NC1=O	REAL250004674628	0	28	-1.0	-54.05	260.04	3.74	-50.31
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2NC1=O	REAL250004674628	1	28	-1.0	-54.04	260.10	3.75	-50.29
O=C(OCC1=NN=N[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL250004674629	0	35	-1.0	-41.27	297.21	4.69	-36.58
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CC(C)C1=NN(C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674631	1	31	-1.0	-39.54	274.26	3.41	-36.13
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CC(C)OC1=CC=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674633	1	32	-1.0	-42.43	294.16	5.88	-36.55
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CC1=C(C)N(CC(=O)OCC2=NN=N[N-]2)C(=O)S1	REAL250004674636	1	28	-1.0	-43.55	264.50	3.35	-40.20
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CC(C)C(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674658	0	37	-1.0	-40.02	306.30	7.01	-33.01
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CSC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674665	0	29	-1.0	-39.37	272.22	5.56	-33.81
CSC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674665	1	29	-1.0	-39.37	272.28	5.57	-33.80
CN(C)C(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674666	0	34	-1.0	-50.32	299.43	3.48	-46.84
CN(C)C(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674666	1	34	-1.0	-50.32	299.49	3.49	-46.83
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004674667	0	33	-1.0	-38.92	293.54	6.13	-32.79
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250004674667	1	33	-1.0	-38.94	293.60	6.15	-32.79
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CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCC1=N[N-]N=N1	REAL250004674669	0	41	-1.0	-39.07	323.44	2.25	-36.82
CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCC1=NN=N[N-]1	REAL250004674669	1	41	-1.0	-39.03	323.50	2.26	-36.77
COC(=O)C1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674670	0	34	-1.0	-41.58	289.38	4.75	-36.83
COC(=O)C1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674670	1	34	-1.0	-41.58	289.43	4.76	-36.82
N#CCSC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674671	0	27	-1.0	-44.82	271.27	5.38	-39.44
N#CCSC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674671	1	27	-1.0	-44.81	271.33	5.39	-39.42
CC(C)(C)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674672	0	35	-1.0	-38.14	290.56	4.92	-33.22
CC(C)(C)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674672	1	35	-1.0	-38.14	290.62	4.94	-33.20
CC1=CC=C(CCCC(=O)OCC2=N[N-]N=N2)S1	REAL250004674673	0	31	-1.0	-38.79	287.42	6.04	-32.75
CC1=CC=C(CCCC(=O)OCC2=NN=N[N-]2)S1	REAL250004674673	1	31	-1.0	-38.78	287.48	6.05	-32.73
CC(C)(NS(C)(=O)=O)C(=O)OCC1=N[N-]N=N1	REAL250004674674	0	29	-1.0	-38.92	255.52	-1.67	-40.59
CC(C)(NS(C)(=O)=O)C(=O)OCC1=NN=N[N-]1	REAL250004674674	1	29	-1.0	-38.93	255.58	-1.66	-40.59
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CCSC1=CC=C(Cl)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674676	0	29	-1.0	-40.66	284.19	6.01	-34.65
CCSC1=CC=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674676	1	29	-1.0	-40.65	284.24	6.03	-34.62
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL250004674677	0	31	-1.0	-44.03	290.36	0.66	-43.37
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL250004674677	1	31	-1.0	-44.02	290.30	0.65	-43.37
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CC1=CC(CCCC(=O)OCC2=N[N-]N=N2)=C(C)S1	REAL250004674679	0	34	-1.0	-38.69	305.00	6.54	-32.15
CC1=CC(CCCC(=O)OCC2=NN=N[N-]2)=C(C)S1	REAL250004674679	1	34	-1.0	-38.69	305.06	6.56	-32.13
CC(C(=O)OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL250004674680	0	34	-1.0	-39.39	295.39	7.30	-32.09
CC(C(=O)OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250004674680	1	34	-1.0	-39.39	295.44	7.31	-32.08
O=C(CCOC1CCOCC1)OCC1=N[N-]N=N1	REAL250004674681	0	33	-1.0	-37.40	281.03	1.89	-35.51
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CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674682	0	34	-1.0	-38.43	298.35	6.15	-32.28
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674682	1	34	-1.0	-38.41	298.29	6.14	-32.27
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CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004674685	0	25	-1.0	-39.43	244.21	4.84	-34.59
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004674685	1	25	-1.0	-39.41	244.27	4.85	-34.56
COC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674686	0	28	-1.0	-37.88	265.76	4.50	-33.38
COC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674686	1	28	-1.0	-37.89	265.82	4.51	-33.38
CC(NC(=O)OC(C)(C)C)C(C)C(=O)OCC1=N[N-]N=N1	REAL250004674687	0	41	-1.0	-39.82	334.07	2.98	-36.84
CC(NC(=O)OC(C)(C)C)C(C)C(=O)OCC1=NN=N[N-]1	REAL250004674687	1	41	-1.0	-39.82	334.13	2.99	-36.83
CCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL250004674688	0	35	-1.0	-42.46	305.17	5.56	-36.90
CCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL250004674688	1	35	-1.0	-42.45	305.11	5.54	-36.91
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674689	0	29	-1.0	-37.05	275.83	5.14	-31.91
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674689	1	29	-1.0	-37.04	275.88	5.16	-31.88
CN1N=C(Br)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674690	0	22	-1.0	-33.48	231.09	2.10	-31.38
CN1N=C(Br)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674690	1	22	-1.0	-33.50	231.04	2.09	-31.41
CC(C)CC1=CC=C([C@H](C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674691	0	40	-1.0	-37.79	330.69	7.74	-30.05
CC(C)CC1=CC=C([C@H](C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674691	1	40	-1.0	-37.76	330.74	7.75	-30.01
CCCCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1CC	REAL250004674692	0	37	-1.0	-41.04	317.28	5.13	-35.91
CCCCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1CC	REAL250004674692	1	37	-1.0	-41.04	317.33	5.14	-35.90
COCCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674693	0	36	-1.0	-41.15	317.39	4.06	-37.09
COCCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674693	1	36	-1.0	-41.13	317.45	4.07	-37.06
O=C(CC1=CC=C2NC(=O)NC2=C1)OCC1=N[N-]N=N1	REAL250004674695	0	29	-1.0	-42.52	268.19	1.38	-41.14
O=C(CC1=CC=C2NC(=O)NC2=C1)OCC1=NN=N[N-]1	REAL250004674695	1	29	-1.0	-42.54	268.25	1.40	-41.14
COC(=O)C12CCC(C(=O)OCC3=N[N-]N=N3)(CC1)C2	REAL250004674696	0	35	-1.0	-39.73	296.55	4.98	-34.75
COC(=O)C12CCC(C(=O)OCC3=NN=N[N-]3)(CC1)C2	REAL250004674696	1	35	-1.0	-39.75	296.61	5.00	-34.75
O=C(OCC1=NN=N[N-]1)C1=NN2CCCOC2=C1	REAL250004674697	0	27	-1.0	-44.05	247.24	0.67	-43.38
O=C(OCC1=N[N-]N=N1)C1=NN2CCCOC2=C1	REAL250004674697	1	27	-1.0	-44.04	247.19	0.65	-43.39
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004674698	0	30	-1.0	-39.05	277.71	5.71	-33.34
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004674698	1	30	-1.0	-39.04	277.77	5.73	-33.31
COC1=CC=C2CCC(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004674699	0	33	-1.0	-42.89	284.31	4.91	-37.98
COC1=CC=C2CCC(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004674699	1	33	-1.0	-42.90	284.37	4.93	-37.97
CC1=CN2C=CN=C(C(=O)OCC3=N[N-]N=N3)C2=N1	REAL250004674700	0	27	-1.0	-52.24	254.52	3.29	-48.95
CC1=CN2C=CN=C(C(=O)OCC3=NN=N[N-]3)C2=N1	REAL250004674700	1	27	-1.0	-52.24	254.57	3.30	-48.94
CC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674701	0	29	-1.0	-41.56	271.03	2.78	-38.78
CC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674701	1	29	-1.0	-41.55	271.09	2.80	-38.75
CC(C)(C)OC(=O)CCC(=O)OCC1=N[N-]N=N1	REAL250004674702	0	33	-1.0	-38.16	282.77	4.40	-33.76
CC(C)(C)OC(=O)CCC(=O)OCC1=NN=N[N-]1	REAL250004674702	1	33	-1.0	-38.22	282.83	4.41	-33.81
CC(CCC(=O)OCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004674703	0	41	-1.0	-40.00	340.17	3.23	-36.77
CC(CCC(=O)OCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004674703	1	41	-1.0	-40.02	340.23	3.24	-36.78
CC1=C(CC(=O)OCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004674704	0	30	-1.0	-41.71	272.23	5.61	-36.10
CC1=C(CC(=O)OCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004674704	1	30	-1.0	-41.73	272.29	5.63	-36.10
O=C(OCC1=N[N-]N=N1)C1CC2CCCC(C2)C1	REAL250004674705	0	35	-1.0	-36.99	266.61	5.38	-31.61
O=C(OCC1=NN=N[N-]1)C1CC2CCCC(C2)C1	REAL250004674705	1	35	-1.0	-36.97	266.67	5.40	-31.57
CC1=NN(CC(=O)OCC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004674706	0	35	-1.0	-43.54	311.99	6.11	-37.43
CC1=NN(CC(=O)OCC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004674706	1	35	-1.0	-43.53	312.05	6.12	-37.41
CC(OC1=CC=CC2=CC=CC=C21)C(=O)OCC1=N[N-]N=N1	REAL250004674707	0	35	-1.0	-40.53	304.14	6.93	-33.60
CC(OC1=CC=CC2=CC=CC=C21)C(=O)OCC1=NN=N[N-]1	REAL250004674707	1	35	-1.0	-40.53	304.20	6.94	-33.59
O=C(OCC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1	REAL250004674708	0	31	-1.0	-40.44	265.58	4.87	-35.57
O=C(OCC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1	REAL250004674708	1	31	-1.0	-40.41	265.64	4.88	-35.53
CC(=O)NC[C@H](CC(=O)OCC1=N[N-]N=N1)CC(C)C	REAL250004674709	0	40	-1.0	-42.01	320.53	3.11	-38.90
CC(=O)NC[C@H](CC(=O)OCC1=NN=N[N-]1)CC(C)C	REAL250004674709	1	40	-1.0	-42.01	320.59	3.12	-38.89
CC1=CC(F)=C(CC(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674710	0	28	-1.0	-38.80	264.54	5.30	-33.50
CC1=CC(F)=C(CC(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674710	1	28	-1.0	-38.81	264.60	5.31	-33.50
COC1COCCC1CC(=O)OCC1=N[N-]N=N1	REAL250004674711	0	33	-1.0	-37.49	274.94	1.43	-36.06
COC1COCCC1CC(=O)OCC1=NN=N[N-]1	REAL250004674711	1	33	-1.0	-37.48	275.00	1.45	-36.03
CC[C@H](C)[C@H](NC(=O)OC)C(=O)OCC1=N[N-]N=N1	REAL250004674712	0	35	-1.0	-36.92	294.61	1.73	-35.19
CC[C@H](C)[C@H](NC(=O)OC)C(=O)OCC1=NN=N[N-]1	REAL250004674712	1	35	-1.0	-36.91	294.67	1.74	-35.17
O=C(OCC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004674713	0	38	-1.0	-38.94	299.44	7.17	-31.77
O=C(OCC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL250004674713	1	38	-1.0	-38.91	299.50	7.18	-31.73
CC(=O)N[C@H](C(=O)OCC1=N[N-]N=N1)C(C)(C)C	REAL250004674714	0	34	-1.0	-38.39	277.25	2.05	-36.34
CC(=O)N[C@H](C(=O)OCC1=NN=N[N-]1)C(C)(C)C	REAL250004674714	1	34	-1.0	-38.38	277.31	2.07	-36.31
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674715	0	43	-1.0	-36.83	339.10	4.00	-32.83
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674715	1	43	-1.0	-36.82	339.16	4.01	-32.81
COC1=CC(C(=O)OCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL250004674716	0	28	-1.0	-37.63	270.22	4.26	-33.37
COC1=CC(C(=O)OCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL250004674716	1	28	-1.0	-37.62	270.28	4.27	-33.35
O=C(OCC1=N[N-]N=N1)C1CC12CCSCC2	REAL250004674717	0	30	-1.0	-39.35	265.63	5.16	-34.19
O=C(OCC1=NN=N[N-]1)C1CC12CCSCC2	REAL250004674717	1	30	-1.0	-39.34	265.68	5.18	-34.16
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)SC=N1	REAL250004674718	0	27	-1.0	-38.31	254.99	2.80	-35.51
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)SC=N1	REAL250004674718	1	27	-1.0	-38.31	255.04	2.81	-35.50
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=NC=C2C=C1	REAL250004674719	0	27	-1.0	-39.05	251.33	4.27	-34.78
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=NC=C2C=C1	REAL250004674719	1	27	-1.0	-39.06	251.27	4.26	-34.80
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C2=C1CCC2	REAL250004674720	0	32	-1.0	-40.63	272.39	6.17	-34.46
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C2=C1CCC2	REAL250004674720	1	32	-1.0	-40.65	272.44	6.18	-34.47
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C(C)C	REAL250004674721	0	31	-1.0	-46.38	275.53	3.63	-42.75
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C(C)C	REAL250004674721	1	31	-1.0	-46.36	275.59	3.65	-42.71
CCC(CC(F)(F)F)C(=O)OCC1=N[N-]N=N1	REAL250004674722	0	27	-1.0	-35.50	243.13	3.92	-31.58
CCC(CC(F)(F)F)C(=O)OCC1=NN=N[N-]1	REAL250004674722	1	27	-1.0	-35.51	243.19	3.93	-31.58
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL250004674723	0	31	-1.0	-46.65	285.98	1.70	-44.95
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL250004674723	1	31	-1.0	-46.63	285.93	1.68	-44.95
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004674724	0	29	-1.0	-40.17	274.58	6.35	-33.82
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250004674724	1	29	-1.0	-40.16	274.64	6.36	-33.80
CC1=CC=C(F)C(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674725	0	28	-1.0	-40.29	259.24	5.25	-35.04
CC1=CC=C(F)C(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674725	1	28	-1.0	-40.28	259.30	5.27	-35.01
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(C(C)C)=N1	REAL250004674726	0	33	-1.0	-37.90	281.60	4.56	-33.34
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(C(C)C)=N1	REAL250004674726	1	33	-1.0	-37.86	281.66	4.58	-33.28
CC1=NC2=CC=NN2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674727	0	27	-1.0	-37.26	248.93	3.36	-33.90
CC1=NC2=CC=NN2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674727	1	27	-1.0	-37.27	248.98	3.38	-33.89
CC1(CC(=O)OCC2=N[N-]N=N2)CC1(Cl)Cl	REAL250004674728	0	25	-1.0	-39.17	252.14	4.48	-34.69
CC1(CC(=O)OCC2=NN=N[N-]2)CC1(Cl)Cl	REAL250004674728	1	25	-1.0	-39.16	252.20	4.50	-34.66
COCC1=NN(C)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674729	0	29	-1.0	-41.40	266.40	1.15	-40.25
COCC1=NN(C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674729	1	29	-1.0	-41.39	266.46	1.16	-40.23
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=NC=C2S1	REAL250004674730	0	24	-1.0	-38.75	243.25	3.49	-35.26
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=NC=C2S1	REAL250004674730	1	24	-1.0	-38.77	243.19	3.48	-35.29
COC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674731	0	33	-1.0	-40.47	282.54	2.78	-37.69
COC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674731	1	33	-1.0	-40.51	282.61	2.80	-37.71
COC(C)(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004674732	0	37	-1.0	-39.68	307.08	4.27	-35.41
COC(C)(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004674732	1	37	-1.0	-39.68	307.13	4.29	-35.39
CC(C)(C)OC(=O)C1(C(=O)OCC2=N[N-]N=N2)CC1(C)C	REAL250004674733	0	40	-1.0	-39.43	321.77	6.19	-33.24
CC(C)(C)OC(=O)C1(C(=O)OCC2=NN=N[N-]2)CC1(C)C	REAL250004674733	1	40	-1.0	-39.46	321.83	6.21	-33.25
O=C(OCC1=N[N-]N=N1)C1CCC2C(C1)C2(F)F	REAL250004674734	0	29	-1.0	-38.80	251.24	4.79	-34.01
O=C(OCC1=NN=N[N-]1)C1CCC2C(C1)C2(F)F	REAL250004674734	1	29	-1.0	-38.79	251.30	4.80	-33.99
COC1=NOC(CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674735	0	28	-1.0	-39.25	261.74	0.94	-38.31
COC1=NOC(CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674735	1	28	-1.0	-39.26	261.80	0.96	-38.30
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL250004674736	0	30	-1.0	-40.76	284.43	6.57	-34.19
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL250004674736	1	30	-1.0	-40.74	284.49	6.59	-34.15
CN1C=CC(NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)=N1	REAL250004674737	0	34	-1.0	-42.70	303.55	4.81	-37.89
CN1C=CC(NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)=N1	REAL250004674737	1	34	-1.0	-42.72	303.49	4.79	-37.93
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)OCC1=N[N-]N=N1	REAL250004674738	0	32	-1.0	-40.60	289.81	3.81	-36.79
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)OCC1=NN=N[N-]1	REAL250004674738	1	32	-1.0	-40.59	289.87	3.83	-36.76
CCOCCOCCCC(=O)OCC1=N[N-]N=N1	REAL250004674739	0	35	-1.0	-41.00	304.91	2.61	-38.39
CCOCCOCCCC(=O)OCC1=NN=N[N-]1	REAL250004674739	1	35	-1.0	-41.02	304.96	2.62	-38.40
COC1=CC=CC(C(OC)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674740	0	33	-1.0	-40.87	294.28	3.61	-37.26
COC1=CC=CC(C(OC)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674740	1	33	-1.0	-40.85	294.33	3.63	-37.22
COCCOCCOCCCC(=O)OCC1=N[N-]N=N1	REAL250004674741	0	39	-1.0	-42.70	338.53	1.97	-40.73
COCCOCCOCCCC(=O)OCC1=NN=N[N-]1	REAL250004674741	1	39	-1.0	-42.67	338.59	1.99	-40.68
CSC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)O1	REAL250004674742	0	26	-1.0	-39.70	255.37	3.74	-35.96
CSC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)O1	REAL250004674742	1	26	-1.0	-39.69	255.42	3.75	-35.94
O=C(CC1(N2C=NN=N2)CCOCC1)OCC1=NN=N[N-]1	REAL250004674743	0	34	-1.0	-49.51	281.40	2.40	-47.11
O=C(CC1(N2C=NN=N2)CCOCC1)OCC1=N[N-]N=N1	REAL250004674743	1	34	-1.0	-49.52	281.34	2.39	-47.13
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL250004674744	0	34	-1.0	-38.89	288.10	4.29	-34.60
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250004674744	1	34	-1.0	-38.88	288.16	4.30	-34.58
CC1=CC2=CC=C(C)C(C(=O)OCC3=NN=N[N-]3)=C2C=C1	REAL250004674745	0	34	-1.0	-44.49	297.76	7.30	-37.19
CC1=CC2=CC=C(C)C(C(=O)OCC3=N[N-]N=N3)=C2C=C1	REAL250004674745	1	34	-1.0	-44.49	297.71	7.28	-37.21
O=C(OCC1=N[N-]N=N1)C12CCOC1CCCC2	REAL250004674746	0	33	-1.0	-43.21	259.62	3.61	-39.60
O=C(OCC1=NN=N[N-]1)C12CCOC1CCCC2	REAL250004674746	1	33	-1.0	-43.18	259.67	3.62	-39.56
O=C(CC1=CC=CC(C(F)(F)F)=N1)OCC1=N[N-]N=N1	REAL250004674747	0	27	-1.0	-45.33	266.36	4.00	-41.33
O=C(CC1=CC=CC(C(F)(F)F)=N1)OCC1=NN=N[N-]1	REAL250004674747	1	27	-1.0	-45.30	266.41	4.01	-41.29
CCOC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674748	0	31	-1.0	-43.06	279.93	2.43	-40.63
CCOC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674748	1	31	-1.0	-43.09	279.99	2.45	-40.64
O=C(OCC1=NN=N[N-]1)C1=CN=C(F)C(Cl)=C1	REAL250004674749	0	21	-1.0	-33.89	227.93	2.46	-31.43
O=C(OCC1=N[N-]N=N1)C1=CN=C(F)C(Cl)=C1	REAL250004674749	1	21	-1.0	-33.86	227.87	2.44	-31.42
CC(SC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674750	0	29	-1.0	-37.05	281.11	5.87	-31.18
CC(SC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674750	1	29	-1.0	-37.06	281.16	5.89	-31.17
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)SC=C1	REAL250004674751	0	22	-1.0	-44.10	229.21	3.63	-40.47
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)SC=C1	REAL250004674751	1	22	-1.0	-44.10	229.26	3.64	-40.46
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674752	0	35	-1.0	-37.87	306.04	7.56	-30.31
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674752	1	35	-1.0	-37.84	306.09	7.58	-30.26
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250004674753	0	28	-1.0	-46.60	270.77	2.50	-44.10
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)O1	REAL250004674753	1	28	-1.0	-46.60	270.71	2.48	-44.12
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004674754	0	28	-1.0	-42.01	267.70	4.36	-37.65
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=N2)N=C1	REAL250004674754	1	28	-1.0	-42.00	267.65	4.35	-37.65
CC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674755	0	28	-1.0	-38.33	267.87	5.67	-32.66
CC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674755	1	28	-1.0	-38.33	267.93	5.68	-32.65
CC1=NN(CCCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004674756	0	34	-1.0	-43.22	297.99	4.40	-38.82
CC1=NN(CCCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004674756	1	34	-1.0	-43.24	298.05	4.41	-38.83
O=C(OCC1=NN=N[N-]1)C1=NC=CC2=CC=CN=C21	REAL250004674757	0	26	-1.0	-52.84	245.38	2.75	-50.09
O=C(OCC1=N[N-]N=N1)C1=NC=CC2=CC=CN=C21	REAL250004674757	1	26	-1.0	-52.83	245.32	2.73	-50.10
CC1(CC(=O)OCC2=N[N-]N=N2)CCS(=O)(=O)N1	REAL250004674758	0	30	-1.0	-48.83	263.65	-1.49	-50.32
CC1(CC(=O)OCC2=NN=N[N-]2)CCS(=O)(=O)N1	REAL250004674758	1	30	-1.0	-48.84	263.71	-1.47	-50.31
O=C(OCC1=NN=N[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004674759	0	27	-1.0	-35.83	263.15	4.55	-31.28
O=C(OCC1=N[N-]N=N1)C1=CC=NC2=CC(Cl)=CC=C21	REAL250004674759	1	27	-1.0	-35.85	263.10	4.53	-31.32
O=C(OCC1=N[N-]N=N1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004674760	0	31	-1.0	-44.03	278.58	1.00	-43.03
O=C(OCC1=NN=N[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL250004674760	1	31	-1.0	-44.01	278.64	1.02	-42.99
O=C(CC1C(=O)NC2=C(F)C=CC=C21)OCC1=N[N-]N=N1	REAL250004674761	0	30	-1.0	-45.52	276.09	3.83	-41.69
O=C(CC1C(=O)NC2=C(F)C=CC=C21)OCC1=NN=N[N-]1	REAL250004674761	1	30	-1.0	-45.52	276.14	3.84	-41.68
COC1=CC=CC(CC(C)CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674762	0	38	-1.0	-40.14	317.48	5.76	-34.38
COC1=CC=CC(CC(C)CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674762	1	38	-1.0	-40.16	317.53	5.78	-34.38
CC(C)C1CC(C(=O)OCC2=N[N-]N=N2)CCO1	REAL250004674763	0	35	-1.0	-36.78	284.68	3.83	-32.95
CC(C)C1CC(C(=O)OCC2=NN=N[N-]2)CCO1	REAL250004674763	1	35	-1.0	-36.78	284.74	3.84	-32.94
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1CCOC2	REAL250004674764	0	30	-1.0	-40.37	258.43	3.71	-36.66
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1CCOC2	REAL250004674764	1	30	-1.0	-40.38	258.49	3.72	-36.66
O=C(CC1CCCC(C(F)(F)F)O1)OCC1=N[N-]N=N1	REAL250004674765	0	32	-1.0	-41.41	285.72	4.33	-37.08
O=C(CC1CCCC(C(F)(F)F)O1)OCC1=NN=N[N-]1	REAL250004674765	1	32	-1.0	-41.39	285.78	4.34	-37.05
COC1(C(=O)OCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL250004674766	0	26	-1.0	-44.51	243.45	-1.42	-45.93
COC1(C(=O)OCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL250004674766	1	26	-1.0	-44.48	243.51	-1.41	-45.89
O=C(CC1CCC(C2CC2)O1)OCC1=N[N-]N=N1	REAL250004674767	0	33	-1.0	-41.13	281.28	4.64	-36.49
O=C(CC1CCC(C2CC2)O1)OCC1=NN=N[N-]1	REAL250004674767	1	33	-1.0	-41.09	281.33	4.66	-36.43
O=C(OCC1=N[N-]N=N1)C1CS(=O)(=O)CC(=O)N1	REAL250004674768	0	26	-1.0	-44.69	250.99	-3.39	-48.08
O=C(OCC1=NN=N[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250004674768	1	26	-1.0	-44.68	251.05	-3.37	-48.05
O=C(OCC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL250004674769	0	20	-1.0	-40.10	223.08	1.79	-38.31
O=C(OCC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL250004674769	1	20	-1.0	-40.11	223.02	1.78	-38.33
COC(=O)C1=CC=CN(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004674770	0	31	-1.0	-51.91	289.53	4.70	-47.21
COC(=O)C1=CC=CN(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004674770	1	31	-1.0	-51.86	289.58	4.71	-47.15
O=C(OCC1=N[N-]N=N1)C1(CCC2=CC=CC=C2)CC1	REAL250004674771	0	35	-1.0	-40.73	306.69	7.45	-33.28
O=C(OCC1=NN=N[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250004674771	1	35	-1.0	-40.72	306.75	7.46	-33.26
CC1(C(=O)OCC2=N[N-]N=N2)CCOC2=CC=CC=C21	REAL250004674772	0	33	-1.0	-39.74	274.71	4.70	-35.04
CC1(C(=O)OCC2=NN=N[N-]2)CCOC2=CC=CC=C21	REAL250004674772	1	33	-1.0	-39.71	274.77	4.72	-34.99
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCO1	REAL250004674773	0	33	-1.0	-42.41	281.70	4.98	-37.43
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250004674773	1	33	-1.0	-42.35	281.76	4.99	-37.36
CC(NC(=O)C1=CC=CS1)C(=O)OCC1=N[N-]N=N1	REAL250004674774	0	29	-1.0	-38.58	279.60	2.19	-36.39
CC(NC(=O)C1=CC=CS1)C(=O)OCC1=NN=N[N-]1	REAL250004674774	1	29	-1.0	-38.58	279.67	2.21	-36.37
CC1=NN(C)C2=C1C=C(C(=O)OCC1=N[N-]N=N1)S2	REAL250004674775	0	28	-1.0	-39.70	272.96	3.51	-36.19
CC1=NN(C)C2=C1C=C(C(=O)OCC1=NN=N[N-]1)S2	REAL250004674775	1	28	-1.0	-39.72	273.02	3.53	-36.19
O=C(OCC1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)S1	REAL250004674776	0	30	-1.0	-48.44	287.47	3.42	-45.02
O=C(OCC1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL250004674776	1	30	-1.0	-48.45	287.53	3.43	-45.02
CC1=NN(CCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004674777	0	31	-1.0	-39.75	276.49	3.59	-36.16
CC1=NN(CCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004674777	1	31	-1.0	-39.76	276.55	3.61	-36.15
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2C=NC=N2)C=C1	REAL250004674778	0	31	-1.0	-45.57	288.86	6.89	-38.68
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2C=NC=N2)C=C1	REAL250004674778	1	31	-1.0	-45.56	288.80	6.87	-38.69
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1N1C=CC=C1	REAL250004674779	0	33	-1.0	-38.61	292.30	7.32	-31.29
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1N1C=CC=C1	REAL250004674779	1	33	-1.0	-38.63	292.36	7.34	-31.29
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2C=CC=N2)C=C1	REAL250004674780	0	32	-1.0	-43.14	294.11	5.46	-37.68
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2C=CC=N2)C=C1	REAL250004674780	1	32	-1.0	-43.17	294.05	5.44	-37.73
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)OCC1=N[N-]N=N1	REAL250004674781	0	34	-1.0	-40.61	309.00	3.85	-36.76
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)OCC1=NN=N[N-]1	REAL250004674781	1	34	-1.0	-40.60	309.06	3.86	-36.74
O=C(OCC1=N[N-]N=N1)C1CC2=CC=CC=C2S1	REAL250004674782	0	27	-1.0	-39.28	255.35	5.43	-33.85
O=C(OCC1=NN=N[N-]1)C1CC2=CC=CC=C2S1	REAL250004674782	1	27	-1.0	-39.29	255.40	5.44	-33.85
O=C(OCC1=N[N-]N=N1)C1CC(=O)NC2=CC(F)=CC=C21	REAL250004674783	0	30	-1.0	-43.60	275.56	2.94	-40.66
O=C(OCC1=NN=N[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL250004674783	1	30	-1.0	-43.58	275.61	2.95	-40.63
CC1=CC=C2CC(C(=O)OCC3=N[N-]N=N3)SC2=C1	REAL250004674784	0	30	-1.0	-39.26	276.82	6.08	-33.18
CC1=CC=C2CC(C(=O)OCC3=NN=N[N-]3)SC2=C1	REAL250004674784	1	30	-1.0	-39.20	276.88	6.10	-33.10
CN1C(=O)N(CC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004674785	0	32	-1.0	-46.79	292.00	5.31	-41.48
CN1C(=O)N(CC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004674785	1	32	-1.0	-46.83	292.06	5.33	-41.50
CS(=O)(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674786	0	33	-1.0	-42.66	289.56	0.55	-42.11
CS(=O)(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674786	1	33	-1.0	-42.68	289.62	0.56	-42.12
O=C(C=CC1=CC=CC2=CC=CN=C12)OCC1=N[N-]N=N1	REAL250004674787	0	31	-1.0	-45.52	282.38	5.57	-39.95
O=C(C=CC1=CC=CC2=CC=CN=C12)OCC1=NN=N[N-]1	REAL250004674787	1	31	-1.0	-45.54	282.43	5.59	-39.95
O=C(OCC1=N[N-]N=N1)C1=CC=C(SC(F)F)C=C1	REAL250004674788	0	26	-1.0	-39.90	259.86	5.02	-34.88
O=C(OCC1=NN=N[N-]1)C1=CC=C(SC(F)F)C=C1	REAL250004674788	1	26	-1.0	-39.87	259.91	5.03	-34.84
CC1=NN2C(=C1)N=CC(C(=O)OCC1=N[N-]N=N1)=C2C	REAL250004674789	0	30	-1.0	-39.10	275.10	3.84	-35.26
CC1=NN2C(=C1)N=CC(C(=O)OCC1=NN=N[N-]1)=C2C	REAL250004674789	1	30	-1.0	-39.10	275.16	3.85	-35.25
CC1=NN(C)C2=NC(C)=CC(C(=O)OCC3=N[N-]N=N3)=C12	REAL250004674790	0	33	-1.0	-37.80	288.41	3.81	-33.99
CC1=NN(C)C2=NC(C)=CC(C(=O)OCC3=NN=N[N-]3)=C12	REAL250004674790	1	33	-1.0	-37.80	288.47	3.82	-33.98
CC1=C(CC(=O)OCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL250004674791	0	34	-1.0	-43.77	309.73	3.74	-40.03
CC1=C(CC(=O)OCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL250004674791	1	34	-1.0	-43.79	309.68	3.72	-40.07
CC(=O)NC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674792	0	33	-1.0	-44.92	297.85	3.91	-41.01
CC(=O)NC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674792	1	33	-1.0	-44.95	297.90	3.92	-41.03
O=C(OCC1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL250004674793	0	31	-1.0	-47.14	291.04	4.00	-43.14
O=C(OCC1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=N1	REAL250004674793	1	31	-1.0	-47.15	290.98	3.99	-43.16
CC1=NN(C)C2=NC=C(C(=O)OCC3=N[N-]N=N3)C=C12	REAL250004674794	0	30	-1.0	-39.50	276.71	3.53	-35.97
CC1=NN(C)C2=NC=C(C(=O)OCC3=NN=N[N-]3)C=C12	REAL250004674794	1	30	-1.0	-39.48	276.77	3.54	-35.94
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])OCC1=N[N-]N=N1	REAL250004674795	0	32	-1.0	-41.23	292.88	4.41	-36.82
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])OCC1=NN=N[N-]1	REAL250004674795	1	32	-1.0	-41.21	292.93	4.43	-36.78
COC1=CC=C(F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674796	0	26	-1.0	-43.08	244.01	3.90	-39.18
COC1=CC=C(F)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674796	1	26	-1.0	-43.08	244.07	3.91	-39.17
COC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674797	0	32	-1.0	-39.35	299.35	5.21	-34.14
COC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674797	1	32	-1.0	-39.37	299.40	5.22	-34.15
O=C(CCCOC1=CC=C(F)C=C1)OCC1=N[N-]N=N1	REAL250004674798	0	32	-1.0	-39.52	290.19	5.02	-34.50
O=C(CCCOC1=CC=C(F)C=C1)OCC1=NN=N[N-]1	REAL250004674798	1	32	-1.0	-39.57	290.25	5.04	-34.53
CC(C)C1=NOC(CCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674799	0	32	-1.0	-38.71	287.69	2.03	-36.68
CC(C)C1=NOC(CCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674799	1	32	-1.0	-38.72	287.75	2.04	-36.68
CC1=CC=CC=C1OCCCC(=O)OCC1=N[N-]N=N1	REAL250004674800	0	35	-1.0	-39.83	303.86	5.71	-34.12
CC1=CC=CC=C1OCCCC(=O)OCC1=NN=N[N-]1	REAL250004674800	1	35	-1.0	-39.81	303.91	5.72	-34.09
CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1N1C=CC=C1	REAL250004674801	0	30	-1.0	-40.50	271.84	5.00	-35.50
CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1N1C=CC=C1	REAL250004674801	1	30	-1.0	-40.49	271.78	4.99	-35.50
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL250004674802	0	32	-1.0	-37.29	286.97	6.70	-30.59
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL250004674802	1	32	-1.0	-37.30	287.03	6.72	-30.58
O=C(OCC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2)CCC1	REAL250004674803	0	32	-1.0	-40.16	276.65	6.25	-33.91
O=C(OCC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2)CCC1	REAL250004674803	1	32	-1.0	-40.18	276.71	6.27	-33.91
CC1=CC=CC(OCCCCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674804	0	38	-1.0	-39.33	326.69	6.41	-32.92
CC1=CC=CC(OCCCCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674804	1	38	-1.0	-39.35	326.74	6.43	-32.92
CC(OC1=CC=CC(C#N)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674805	0	30	-1.0	-40.58	279.96	5.03	-35.55
CC(OC1=CC=CC(C#N)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674805	1	30	-1.0	-40.56	280.02	5.04	-35.52
CCOC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674806	0	32	-1.0	-38.71	286.63	5.27	-33.44
CCOC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674806	1	32	-1.0	-38.70	286.69	5.29	-33.41
CC(C)(C)C1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674807	0	30	-1.0	-38.55	278.54	3.57	-34.98
CC(C)(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674807	1	30	-1.0	-38.55	278.48	3.55	-35.00
CC1=C(CC(=O)OCC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL250004674808	0	34	-1.0	-46.01	302.48	4.74	-41.27
CC1=C(CC(=O)OCC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL250004674808	1	34	-1.0	-45.99	302.54	4.75	-41.24
COC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674809	0	28	-1.0	-47.75	264.11	4.07	-43.68
COC1=CC=C([N+](=O)[O-])C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674809	1	28	-1.0	-47.73	264.17	4.08	-43.65
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL250004674810	0	29	-1.0	-44.08	276.24	5.06	-39.02
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL250004674810	1	29	-1.0	-44.07	276.18	5.04	-39.03
CC(C)(C)C(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004674811	0	41	-1.0	-43.37	318.43	4.28	-39.09
CC(C)(C)C(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004674811	1	41	-1.0	-43.36	318.49	4.29	-39.07
COC(=O)NC(CC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674812	0	35	-1.0	-36.01	291.19	1.22	-34.79
COC(=O)NC(CC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674812	1	35	-1.0	-36.02	291.25	1.23	-34.79
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL250004674813	0	32	-1.0	-39.43	293.77	4.90	-34.53
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL250004674813	1	32	-1.0	-39.43	293.71	4.89	-34.54
NC(=O)C1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674814	0	30	-1.0	-44.10	275.78	0.84	-43.26
NC(=O)C1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674814	1	30	-1.0	-44.11	275.83	0.85	-43.26
CC(C)OC1=CC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674815	0	31	-1.0	-42.20	292.80	2.74	-39.46
CC(C)OC1=CC=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674815	1	31	-1.0	-42.20	292.75	2.72	-39.48
COC1=CC=CC(C(C)CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674816	0	35	-1.0	-38.92	296.76	4.99	-33.93
COC1=CC=CC(C(C)CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674816	1	35	-1.0	-38.94	296.81	5.01	-33.93
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674817	0	34	-1.0	-37.15	302.42	6.67	-30.48
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674817	1	34	-1.0	-37.13	302.48	6.68	-30.45
O=C(CNC(=O)C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004674818	0	29	-1.0	-39.58	266.76	2.36	-37.22
O=C(CNC(=O)C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004674818	1	29	-1.0	-39.55	266.82	2.37	-37.18
COC1=CC=C2OCC(C(=O)OCC3=N[N-]N=N3)=CC2=C1	REAL250004674819	0	32	-1.0	-39.86	284.45	3.54	-36.32
COC1=CC=C2OCC(C(=O)OCC3=NN=N[N-]3)=CC2=C1	REAL250004674819	1	32	-1.0	-39.89	284.51	3.55	-36.34
CCC1=NOC(CC)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674820	0	33	-1.0	-39.39	291.40	4.81	-34.58
CCC1=NOC(CC)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674820	1	33	-1.0	-39.40	291.45	4.83	-34.57
O=C(OCC1=N[N-]N=N1)C1CC1CC1=CC=CC=C1	REAL250004674821	0	32	-1.0	-38.26	280.15	6.68	-31.58
O=C(OCC1=NN=N[N-]1)C1CC1CC1=CC=CC=C1	REAL250004674821	1	32	-1.0	-38.25	280.21	6.70	-31.55
O=C(CC1=CC=CC(F)=C1F)OCC1=N[N-]N=N1	REAL250004674822	0	25	-1.0	-41.84	244.16	4.66	-37.18
O=C(CC1=CC=CC(F)=C1F)OCC1=NN=N[N-]1	REAL250004674822	1	25	-1.0	-41.84	244.22	4.67	-37.17
CC(C)CC(C)OCCC(=O)OCC1=N[N-]N=N1	REAL250004674823	0	37	-1.0	-36.38	307.67	4.48	-31.90
CC(C)CC(C)OCCC(=O)OCC1=NN=N[N-]1	REAL250004674823	1	37	-1.0	-36.39	307.72	4.49	-31.90
CCN(CC)C(=O)CCC(=O)OCC1=N[N-]N=N1	REAL250004674824	0	34	-1.0	-40.73	291.56	3.77	-36.96
CCN(CC)C(=O)CCC(=O)OCC1=NN=N[N-]1	REAL250004674824	1	34	-1.0	-40.78	291.62	3.79	-36.99
CCC(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674825	0	34	-1.0	-38.47	288.88	6.35	-32.12
CCC(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674825	1	34	-1.0	-38.48	288.93	6.36	-32.12
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)OCC1=N[N-]N=N1	REAL250004674826	0	30	-1.0	-42.04	282.03	6.03	-36.01
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)OCC1=NN=N[N-]1	REAL250004674826	1	30	-1.0	-42.04	282.09	6.04	-36.00
CC1=NC(CC(C)C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674827	0	33	-1.0	-38.25	288.06	3.98	-34.27
CC1=NC(CC(C)C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674827	1	33	-1.0	-38.28	288.11	3.99	-34.29
CC(C)CC1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004674828	0	37	-1.0	-38.46	276.43	5.36	-33.10
CC(C)CC1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004674828	1	37	-1.0	-38.45	276.48	5.37	-33.08
CC(C)CC(C(=O)OCC1=N[N-]N=N1)N1CCCCC1=O	REAL250004674829	0	41	-1.0	-46.04	325.01	6.30	-39.74
CC(C)CC(C(=O)OCC1=NN=N[N-]1)N1CCCCC1=O	REAL250004674829	1	41	-1.0	-46.06	325.07	6.31	-39.75
O=C(CC1=CC=C(F)C=C1F)OCC1=N[N-]N=N1	REAL250004674830	0	25	-1.0	-38.87	244.28	4.66	-34.21
O=C(CC1=CC=C(F)C=C1F)OCC1=NN=N[N-]1	REAL250004674830	1	25	-1.0	-38.84	244.34	4.68	-34.16
O=C(CC1=CC=C(F)C(F)=C1)OCC1=N[N-]N=N1	REAL250004674831	0	25	-1.0	-39.06	245.12	4.68	-34.38
O=C(CC1=CC=C(F)C(F)=C1)OCC1=NN=N[N-]1	REAL250004674831	1	25	-1.0	-39.07	245.18	4.70	-34.37
O=C(CC1=C(F)C=CC=C1F)OCC1=N[N-]N=N1	REAL250004674832	0	25	-1.0	-40.72	243.03	4.61	-36.11
O=C(CC1=C(F)C=CC=C1F)OCC1=NN=N[N-]1	REAL250004674832	1	25	-1.0	-40.71	243.09	4.63	-36.08
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL250004674833	0	25	-1.0	-35.08	255.72	4.86	-30.22
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL250004674833	1	25	-1.0	-35.07	255.78	4.87	-30.20
CN1C=C(CCC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004674834	0	35	-1.0	-41.08	308.16	7.14	-33.94
CN1C=C(CCC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004674834	1	35	-1.0	-41.08	308.22	7.16	-33.92
O=C(CCC1=CC=C2OCCC2=C1)OCC1=N[N-]N=N1	REAL250004674835	0	33	-1.0	-39.20	289.70	5.21	-33.99
O=C(CCC1=CC=C2OCCC2=C1)OCC1=NN=N[N-]1	REAL250004674835	1	33	-1.0	-39.20	289.76	5.22	-33.98
CCCCCC(C(=O)OCC1=N[N-]N=N1)C(C)C	REAL250004674836	0	39	-1.0	-37.61	307.83	6.41	-31.20
CCCCCC(C(=O)OCC1=NN=N[N-]1)C(C)C	REAL250004674836	1	39	-1.0	-37.62	307.89	6.43	-31.19
CC(CSC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674837	0	32	-1.0	-36.44	297.56	6.45	-29.99
CC(CSC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674837	1	32	-1.0	-36.40	297.62	6.46	-29.94
O=C(CCSC1=CC=CC=N1)OCC1=NN=N[N-]1	REAL250004674838	0	28	-1.0	-40.63	270.75	4.25	-36.38
O=C(CCSC1=CC=CC=N1)OCC1=N[N-]N=N1	REAL250004674838	1	28	-1.0	-40.63	270.69	4.24	-36.39
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC(Cl)=C1	REAL250004674839	0	22	-1.0	-35.02	233.42	4.36	-30.66
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC(Cl)=C1	REAL250004674839	1	22	-1.0	-35.01	233.48	4.37	-30.64
O=C(CC1=NN(C2=CC=CC=C2)C=C1)OCC1=N[N-]N=N1	REAL250004674840	0	32	-1.0	-46.83	290.46	5.72	-41.11
O=C(CC1=NN(C2=CC=CC=C2)C=C1)OCC1=NN=N[N-]1	REAL250004674840	1	32	-1.0	-46.82	290.52	5.73	-41.09
CC1=CC(F)=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004674841	0	25	-1.0	-39.60	241.51	4.51	-35.09
CC1=CC(F)=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004674841	1	25	-1.0	-39.59	241.57	4.53	-35.06
CC1=CC=C(C2=CN=CC(C(=O)OCC3=NN=N[N-]3)=C2)C=C1	REAL250004674842	0	34	-1.0	-39.00	301.10	6.10	-32.90
CC1=CC=C(C2=CN=CC(C(=O)OCC3=N[N-]N=N3)=C2)C=C1	REAL250004674842	1	34	-1.0	-39.00	301.04	6.09	-32.91
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004674843	0	31	-1.0	-39.03	279.70	5.42	-33.61
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250004674843	1	31	-1.0	-39.01	279.64	5.41	-33.60
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=NC=C2)=N1	REAL250004674844	0	31	-1.0	-40.95	283.37	3.22	-37.73
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=NC=C2)=N1	REAL250004674844	1	31	-1.0	-40.95	283.42	3.24	-37.71
N#CC1=CC=C(N2CCCC2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674845	0	35	-1.0	-40.01	309.10	4.97	-35.04
N#CC1=CC=C(N2CCCC2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674845	1	35	-1.0	-39.98	309.16	4.98	-35.00
CC1=NOC(C2=CC=CC=C2C(=O)OCC2=NN=N[N-]2)=N1	REAL250004674846	0	30	-1.0	-46.36	278.54	3.53	-42.83
CC1=NOC(C2=CC=CC=C2C(=O)OCC2=N[N-]N=N2)=N1	REAL250004674846	1	30	-1.0	-46.36	278.48	3.51	-42.85
CC1=C(C(=O)OCC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL250004674847	0	31	-1.0	-41.14	286.19	2.94	-38.20
CC1=C(C(=O)OCC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL250004674847	1	31	-1.0	-41.14	286.13	2.92	-38.22
CC1=NN=C(C2=CC=CC=C2C(=O)OCC2=N[N-]N=N2)O1	REAL250004674848	0	30	-1.0	-49.78	278.25	0.60	-49.18
CC1=NN=C(C2=CC=CC=C2C(=O)OCC2=NN=N[N-]2)O1	REAL250004674848	1	30	-1.0	-49.78	278.31	0.61	-49.17
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C1CC1	REAL250004674849	0	33	-1.0	-38.66	287.75	5.23	-33.43
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C1CC1	REAL250004674849	1	33	-1.0	-38.64	287.80	5.25	-33.39
CC1=CSC(CCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674850	0	27	-1.0	-38.64	260.40	3.07	-35.57
CC1=CSC(CCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674850	1	27	-1.0	-38.66	260.46	3.09	-35.57
COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004674851	0	28	-1.0	-48.65	266.73	4.48	-44.17
COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004674851	1	28	-1.0	-48.63	266.79	4.50	-44.13
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004674852	0	28	-1.0	-47.14	264.92	3.23	-43.91
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL250004674852	1	28	-1.0	-47.13	264.98	3.24	-43.89
CN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1CC1=CC=CC=C1	REAL250004674853	0	35	-1.0	-43.29	302.52	5.40	-37.89
CN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1CC1=CC=CC=C1	REAL250004674853	1	35	-1.0	-43.28	302.58	5.42	-37.86
CC(C)CN1C=CC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004674854	0	38	-1.0	-44.72	316.81	7.34	-37.38
CC(C)CN1C=CC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004674854	1	38	-1.0	-44.69	316.87	7.36	-37.33
O=C(OCC1=N[N-]N=N1)C1CCCN1C1=CC=CC=C1	REAL250004674855	0	34	-1.0	-39.95	288.51	4.71	-35.24
O=C(OCC1=NN=N[N-]1)C1CCCN1C1=CC=CC=C1	REAL250004674855	1	34	-1.0	-39.93	288.57	4.72	-35.21
CC1=NC(CC(=O)OCC2=N[N-]N=N2)=C(C)S1	REAL250004674856	0	27	-1.0	-40.61	257.88	2.93	-37.68
CC1=NC(CC(=O)OCC2=NN=N[N-]2)=C(C)S1	REAL250004674856	1	27	-1.0	-40.61	257.94	2.94	-37.67
CC1=C(C(=O)OCC2=N[N-]N=N2)SC2=NC=CC(C)=C12	REAL250004674857	0	30	-1.0	-44.59	272.13	4.29	-40.30
CC1=C(C(=O)OCC2=NN=N[N-]2)SC2=NC=CC(C)=C12	REAL250004674857	1	30	-1.0	-44.61	272.19	4.30	-40.31
CC1=C(Cl)C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674858	0	25	-1.0	-36.79	240.16	4.74	-32.05
CC1=C(Cl)C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674858	1	25	-1.0	-36.80	240.21	4.76	-32.04
CN1CC(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004674859	0	33	-1.0	-39.38	286.51	4.17	-35.21
CN1CC(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004674859	1	33	-1.0	-39.37	286.57	4.19	-35.18
CCCCCCCCCC(C)CC(=O)OCC1=N[N-]N=N1	REAL250004674860	0	48	-1.0	-36.60	379.35	8.95	-27.65
CCCCCCCCCC(C)CC(=O)OCC1=NN=N[N-]1	REAL250004674860	1	48	-1.0	-36.58	379.41	8.96	-27.62
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004674861	0	26	-1.0	-36.61	269.76	5.71	-30.90
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250004674861	1	26	-1.0	-36.60	269.82	5.72	-30.88
CC1=NC(CN2C=C(C(=O)OCC3=N[N-]N=N3)N=N2)=NO1	REAL250004674862	0	29	-1.0	-50.38	282.57	-0.51	-50.89
CC1=NC(CN2C=C(C(=O)OCC3=NN=N[N-]3)N=N2)=NO1	REAL250004674862	1	29	-1.0	-50.39	282.63	-0.49	-50.88
CC(=O)N[C@H](CC1CCC1)C(=O)OCC1=N[N-]N=N1	REAL250004674863	0	35	-1.0	-45.44	291.03	3.65	-41.79
CC(=O)N[C@H](CC1CCC1)C(=O)OCC1=NN=N[N-]1	REAL250004674863	1	35	-1.0	-45.38	291.09	3.67	-41.71
CC(CC(=O)OCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL250004674864	0	35	-1.0	-40.60	301.84	5.85	-34.75
CC(CC(=O)OCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL250004674864	1	35	-1.0	-40.61	301.90	5.86	-34.75
CN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL250004674865	0	31	-1.0	-46.06	281.98	3.06	-43.00
CN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL250004674865	1	31	-1.0	-46.05	281.93	3.05	-43.00
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NC=C1C(N)=O	REAL250004674866	0	28	-1.0	-42.62	257.00	-0.58	-43.20
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NC=C1C(N)=O	REAL250004674866	1	28	-1.0	-42.59	257.06	-0.56	-43.15
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004674867	0	32	-1.0	-39.10	300.10	7.11	-31.99
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL250004674867	1	32	-1.0	-39.09	300.16	7.12	-31.97
CC(=O)C1=CN(CC(=O)OCC2=N[N-]N=N2)N=N1	REAL250004674868	0	26	-1.0	-43.83	253.01	1.05	-42.78
CC(=O)C1=CN(CC(=O)OCC2=NN=N[N-]2)N=N1	REAL250004674868	1	26	-1.0	-43.83	253.06	1.06	-42.77
CC1(C=CC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004674869	0	33	-1.0	-38.18	270.15	3.20	-34.98
CC1(C=CC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004674869	1	33	-1.0	-38.16	270.20	3.21	-34.95
O=C(OCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1Cl	REAL250004674870	0	29	-1.0	-38.09	266.63	6.06	-32.03
O=C(OCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250004674870	1	29	-1.0	-38.08	266.69	6.08	-32.00
CC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C(Cl)=N1	REAL250004674871	0	27	-1.0	-42.05	262.96	3.74	-38.31
CC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C(Cl)=N1	REAL250004674871	1	27	-1.0	-42.01	263.02	3.75	-38.26
CC1CC2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2O1	REAL250004674872	0	30	-1.0	-44.76	266.40	4.97	-39.79
CC1CC2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2O1	REAL250004674872	1	30	-1.0	-44.75	266.45	4.98	-39.77
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CN=C2S1	REAL250004674873	0	24	-1.0	-43.58	243.26	3.36	-40.22
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CN=C2S1	REAL250004674873	1	24	-1.0	-43.59	243.20	3.34	-40.25
COC(=O)N[C@@H](CC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674874	0	35	-1.0	-36.05	291.19	1.23	-34.82
COC(=O)N[C@@H](CC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674874	1	35	-1.0	-36.05	291.25	1.24	-34.81
CC1=CC=CC2=C1OC(C(=O)OCC1=N[N-]N=N1)C2	REAL250004674875	0	30	-1.0	-39.43	268.26	5.10	-34.33
CC1=CC=CC2=C1OC(C(=O)OCC1=NN=N[N-]1)C2	REAL250004674875	1	30	-1.0	-39.43	268.32	5.12	-34.31
CN1C=C(C2=CC=C(C(=O)OCC3=NN=N[N-]3)O2)C=N1	REAL250004674876	0	29	-1.0	-43.62	276.53	3.62	-40.00
CN1C=C(C2=CC=C(C(=O)OCC3=N[N-]N=N3)O2)C=N1	REAL250004674876	1	29	-1.0	-43.63	276.47	3.61	-40.02
O=C(CC1CSC2=CC=CC=C2O1)OCC1=N[N-]N=N1	REAL250004674877	0	31	-1.0	-41.94	285.12	5.60	-36.34
O=C(CC1CSC2=CC=CC=C2O1)OCC1=NN=N[N-]1	REAL250004674877	1	31	-1.0	-41.96	285.17	5.61	-36.35
CN1N=C(C(=O)OCC2=N[N-]N=N2)C2=C1CCCC2	REAL250004674878	0	32	-1.0	-47.12	273.91	3.90	-43.22
CN1N=C(C(=O)OCC2=NN=N[N-]2)C2=C1CCCC2	REAL250004674878	1	32	-1.0	-47.15	273.97	3.92	-43.23
CCC(CC)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674879	0	38	-1.0	-38.15	315.42	6.04	-32.11
CCC(CC)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674879	1	38	-1.0	-38.15	315.48	6.05	-32.10
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004674880	0	27	-1.0	-45.08	260.74	1.74	-43.34
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL250004674880	1	27	-1.0	-45.09	260.80	1.75	-43.34
CN1N=CC(Br)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674881	0	22	-1.0	-34.62	228.53	2.16	-32.46
CN1N=CC(Br)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674881	1	22	-1.0	-34.61	228.47	2.14	-32.47
CN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1Br	REAL250004674882	0	22	-1.0	-40.83	234.44	2.05	-38.78
CN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1Br	REAL250004674882	1	22	-1.0	-40.86	234.39	2.03	-38.83
CN1N=C(C2=CC=CC=C2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674883	0	32	-1.0	-36.83	288.97	5.16	-31.67
CN1N=C(C2=CC=CC=C2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674883	1	32	-1.0	-36.84	288.91	5.15	-31.69
COC1=CC=CC([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674884	0	33	-1.0	-40.51	289.84	5.23	-35.28
COC1=CC=CC([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674884	1	33	-1.0	-40.53	289.89	5.25	-35.28
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004674885	0	29	-1.0	-41.32	265.85	5.96	-35.36
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250004674885	1	29	-1.0	-41.29	265.91	5.98	-35.31
O=C(OCC1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004674886	0	33	-1.0	-43.47	296.28	4.27	-39.20
O=C(OCC1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL250004674886	1	33	-1.0	-43.46	296.33	4.28	-39.18
COC(=O)C=CC1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004674887	0	29	-1.0	-42.34	283.09	4.08	-38.26
COC(=O)C=CC1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004674887	1	29	-1.0	-42.31	283.15	4.09	-38.22
CC(C)(C)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674888	0	38	-1.0	-38.74	318.27	7.35	-31.39
CC(C)(C)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674888	1	38	-1.0	-38.71	318.33	7.36	-31.35
O=C(OCC1=N[N-]N=N1)C1CCC2=CC(F)=CC=C21	REAL250004674889	0	29	-1.0	-37.90	261.19	5.68	-32.22
O=C(OCC1=NN=N[N-]1)C1CCC2=CC(F)=CC=C21	REAL250004674889	1	29	-1.0	-37.89	261.25	5.69	-32.20
CC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004674890	0	35	-1.0	-38.64	299.44	7.16	-31.48
CC1=CC=C([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004674890	1	35	-1.0	-38.65	299.50	7.17	-31.48
O=C(CCC(=O)C1=C(F)C=CC=C1F)OCC1=N[N-]N=N1	REAL250004674891	0	30	-1.0	-43.52	281.30	5.22	-38.30
O=C(CCC(=O)C1=C(F)C=CC=C1F)OCC1=NN=N[N-]1	REAL250004674891	1	30	-1.0	-43.51	281.36	5.24	-38.27
O=C(OCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004674892	0	31	-1.0	-39.64	268.53	4.92	-34.72
O=C(OCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250004674892	1	31	-1.0	-39.67	268.59	4.93	-34.74
O=C(OCC1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004674893	0	31	-1.0	-46.19	287.96	4.21	-41.98
O=C(OCC1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL250004674893	1	31	-1.0	-46.21	287.91	4.20	-42.01
CC1(C)CC1(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004674894	0	35	-1.0	-40.58	291.83	6.69	-33.89
CC1(C)CC1(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004674894	1	35	-1.0	-40.57	291.88	6.70	-33.87
N#CC1(CC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004674895	0	30	-1.0	-42.91	256.68	2.08	-40.83
N#CC1(CC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004674895	1	30	-1.0	-42.91	256.74	2.09	-40.82
O=C(OCC1=N[N-]N=N1)C1C2CCCCCCC21	REAL250004674896	0	35	-1.0	-37.28	268.59	5.71	-31.57
O=C(OCC1=NN=N[N-]1)C1C2CCCCCCC21	REAL250004674896	1	35	-1.0	-37.24	268.64	5.72	-31.52
O=C(OCC1=N[N-]N=N1)C1CCC(C2CC2)CC1	REAL250004674897	0	35	-1.0	-38.35	278.89	6.00	-32.35
O=C(OCC1=NN=N[N-]1)C1CCC(C2CC2)CC1	REAL250004674897	1	35	-1.0	-38.35	278.95	6.01	-32.34
O=C(OCC1=NN=N[N-]1)C1=C2SC=CC2=NC=N1	REAL250004674898	0	23	-1.0	-41.81	235.76	3.01	-38.80
O=C(OCC1=N[N-]N=N1)C1=C2SC=CC2=NC=N1	REAL250004674898	1	23	-1.0	-41.78	235.71	2.99	-38.79
CCCCCCCCC(C)C(=O)OCC1=N[N-]N=N1	REAL250004674899	0	42	-1.0	-36.75	340.21	7.52	-29.23
CCCCCCCCC(C)C(=O)OCC1=NN=N[N-]1	REAL250004674899	1	42	-1.0	-36.77	340.26	7.54	-29.23
CC(C)(C)OC(=O)NC1(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004674900	0	39	-1.0	-40.58	327.94	3.11	-37.47
CC(C)(C)OC(=O)NC1(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004674900	1	39	-1.0	-40.54	328.00	3.12	-37.42
COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1OC(C)C	REAL250004674901	0	36	-1.0	-42.30	304.13	5.17	-37.13
COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1OC(C)C	REAL250004674901	1	36	-1.0	-42.31	304.19	5.18	-37.13
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL250004674902	0	29	-1.0	-44.18	273.31	3.90	-40.28
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL250004674902	1	29	-1.0	-44.17	273.25	3.88	-40.29
O=C(OCC1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL250004674903	0	38	-1.0	-39.20	316.22	7.75	-31.45
O=C(OCC1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL250004674903	1	38	-1.0	-39.22	316.28	7.76	-31.46
CCCC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004674904	0	34	-1.0	-37.31	304.08	7.11	-30.20
CCCC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004674904	1	34	-1.0	-37.32	304.14	7.12	-30.20
NC(=O)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)O1	REAL250004674905	0	27	-1.0	-41.05	264.75	0.13	-40.92
NC(=O)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)O1	REAL250004674905	1	27	-1.0	-41.03	264.80	0.14	-40.89
CSC1=CC(C)=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004674906	0	26	-1.0	-40.02	253.56	3.75	-36.27
CSC1=CC(C)=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004674906	1	26	-1.0	-40.00	253.62	3.76	-36.24
O=C(OCC1=NN=N[N-]1)C1=C2C=CSC2=CN=C1	REAL250004674907	0	24	-1.0	-39.88	238.23	3.22	-36.66
O=C(OCC1=N[N-]N=N1)C1=C2C=CSC2=CN=C1	REAL250004674907	1	24	-1.0	-39.85	238.17	3.21	-36.64
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004674908	0	39	-1.0	-40.34	325.01	2.69	-37.65
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004674908	1	39	-1.0	-40.35	325.07	2.71	-37.64
CC1=CC=CC=C1COCC(=O)OCC1=N[N-]N=N1	REAL250004674909	0	32	-1.0	-40.69	283.05	5.23	-35.46
CC1=CC=CC=C1COCC(=O)OCC1=NN=N[N-]1	REAL250004674909	1	32	-1.0	-40.70	283.11	5.24	-35.46
CC1=CC=CC(COCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674910	0	32	-1.0	-40.47	288.29	5.21	-35.26
CC1=CC=CC(COCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674910	1	32	-1.0	-40.44	288.35	5.22	-35.22
CC1=CC=C(COCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674911	0	32	-1.0	-40.46	288.29	5.22	-35.24
CC1=CC=C(COCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674911	1	32	-1.0	-40.46	288.35	5.23	-35.23
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL250004674912	0	25	-1.0	-47.04	248.98	4.74	-42.30
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250004674912	1	25	-1.0	-47.03	249.04	4.75	-42.28
CCN1N=CC(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674913	0	25	-1.0	-34.53	246.22	2.94	-31.59
CCN1N=CC(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674913	1	25	-1.0	-34.53	246.16	2.93	-31.60
CCOCCN1C=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004674914	0	32	-1.0	-40.34	291.70	2.51	-37.83
CCOCCN1C=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004674914	1	32	-1.0	-40.33	291.65	2.49	-37.84
O=C(OCC1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004674915	0	35	-1.0	-38.76	308.33	6.26	-32.50
O=C(OCC1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL250004674915	1	35	-1.0	-38.75	308.28	6.25	-32.50
CC(=CC(=O)OCC1=N[N-]N=N1)C1=CC=CS1	REAL250004674916	0	26	-1.0	-38.12	250.80	4.77	-33.35
CC(=CC(=O)OCC1=NN=N[N-]1)C1=CC=CS1	REAL250004674916	1	26	-1.0	-38.12	250.85	4.79	-33.33
CC1CCC(C(=O)CCC(=O)OCC2=N[N-]N=N2)CC1	REAL250004674917	0	39	-1.0	-38.85	312.94	6.10	-32.75
CC1CCC(C(=O)CCC(=O)OCC2=NN=N[N-]2)CC1	REAL250004674917	1	39	-1.0	-38.86	312.99	6.12	-32.74
COC(=O)C1=CC(F)=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674918	0	28	-1.0	-38.31	271.45	4.50	-33.81
COC(=O)C1=CC(F)=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674918	1	28	-1.0	-38.32	271.51	4.52	-33.80
NC1=NC(C2CCCC2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674919	0	35	-1.0	-36.43	296.76	3.29	-33.14
NC1=NC(C2CCCC2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674919	1	35	-1.0	-36.43	296.82	3.30	-33.13
NC1=NC(C2CC2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674920	0	29	-1.0	-36.67	262.52	2.46	-34.21
NC1=NC(C2CC2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674920	1	29	-1.0	-36.66	262.58	2.48	-34.18
CC1=C2C=C(C(=O)OCC3=N[N-]N=N3)OC2=C(F)C=C1	REAL250004674921	0	28	-1.0	-45.41	267.04	5.00	-40.41
CC1=C2C=C(C(=O)OCC3=NN=N[N-]3)OC2=C(F)C=C1	REAL250004674921	1	28	-1.0	-45.37	267.09	5.01	-40.36
O=C(OCC1=N[N-]N=N1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004674922	0	26	-1.0	-40.32	247.88	2.93	-37.39
O=C(OCC1=NN=N[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250004674922	1	26	-1.0	-40.32	247.94	2.94	-37.38
CC1=C(C)N2N=CC(C(=O)OCC3=NN=N[N-]3)=C2C=C1	REAL250004674923	0	31	-1.0	-45.33	276.18	4.70	-40.63
CC1=C(C)N2N=CC(C(=O)OCC3=N[N-]N=N3)=C2C=C1	REAL250004674923	1	31	-1.0	-45.33	276.12	4.69	-40.64
O=C(OCC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004674924	0	31	-1.0	-44.17	280.70	5.42	-38.75
O=C(OCC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250004674924	1	31	-1.0	-44.23	280.64	5.41	-38.82
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C2=NC=CC=C12	REAL250004674925	0	30	-1.0	-48.24	267.13	5.07	-43.17
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C2=NC=CC=C12	REAL250004674925	1	30	-1.0	-48.25	267.08	5.06	-43.19
O=C(OCC1=N[N-]N=N1)C1=C2C=COC2=C(F)C=C1	REAL250004674926	0	25	-1.0	-38.84	241.82	4.09	-34.75
O=C(OCC1=NN=N[N-]1)C1=C2C=COC2=C(F)C=C1	REAL250004674926	1	25	-1.0	-38.88	241.88	4.11	-34.77
C=CC1(CC(=O)OCC2=N[N-]N=N2)CCCCC1	REAL250004674927	0	35	-1.0	-37.05	268.83	5.27	-31.78
C=CC1(CC(=O)OCC2=NN=N[N-]2)CCCCC1	REAL250004674927	1	35	-1.0	-37.01	268.89	5.28	-31.73
O=C(OCC1=N[N-]N=N1)C1=C2C=COC2=C(Cl)C=C1	REAL250004674928	0	25	-1.0	-38.79	252.14	4.54	-34.25
O=C(OCC1=NN=N[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL250004674928	1	25	-1.0	-38.79	252.20	4.56	-34.23
O=C(OCC1=N[N-]N=N1)C1=C2OC=CC2=CC(F)=C1	REAL250004674929	0	25	-1.0	-42.05	243.60	4.57	-37.48
O=C(OCC1=NN=N[N-]1)C1=C2OC=CC2=CC(F)=C1	REAL250004674929	1	25	-1.0	-42.09	243.66	4.58	-37.51
CC1=C2C=C(C(=O)OCC3=N[N-]N=N3)OC2=CC=C1	REAL250004674930	0	28	-1.0	-42.53	260.62	4.94	-37.59
CC1=C2C=C(C(=O)OCC3=NN=N[N-]3)OC2=CC=C1	REAL250004674930	1	28	-1.0	-42.49	260.68	4.95	-37.54
CC(C)N1C=CC(CC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674931	0	31	-1.0	-44.37	274.64	3.68	-40.69
CC(C)N1C=CC(CC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674931	1	31	-1.0	-44.37	274.70	3.69	-40.68
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674932	0	28	-1.0	-44.85	273.12	5.29	-39.56
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674932	1	28	-1.0	-44.83	273.18	5.30	-39.53
CC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004674933	0	29	-1.0	-41.83	280.29	3.27	-38.56
CC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004674933	1	29	-1.0	-41.81	280.35	3.28	-38.53
O=C(CC1CC(=O)NC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004674934	0	33	-1.0	-42.86	286.19	3.46	-39.40
O=C(CC1CC(=O)NC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004674934	1	33	-1.0	-42.85	286.25	3.48	-39.37
COC(=O)NC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004674935	0	30	-1.0	-40.87	282.27	2.10	-38.77
COC(=O)NC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004674935	1	30	-1.0	-40.84	282.33	2.12	-38.72
COC(=O)C1CCCN(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004674936	0	35	-1.0	-48.59	305.10	4.15	-44.44
COC(=O)C1CCCN(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004674936	1	35	-1.0	-48.58	305.15	4.15	-44.43
CC1=C(Br)OC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674937	0	22	-1.0	-38.93	234.79	3.25	-35.68
CC1=C(Br)OC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674937	1	22	-1.0	-38.93	234.85	3.27	-35.66
COC1=C(C(=O)OCC2=NN=N[N-]2)C=CN=C1F	REAL250004674938	0	25	-1.0	-36.98	241.20	2.06	-34.92
COC1=C(C(=O)OCC2=N[N-]N=N2)C=CN=C1F	REAL250004674938	1	25	-1.0	-36.97	241.14	2.04	-34.93
COC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004674939	0	33	-1.0	-43.57	293.19	2.54	-41.03
COC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004674939	1	33	-1.0	-43.60	293.25	2.56	-41.04
CC1=CC(Cl)=NC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674940	0	24	-1.0	-43.62	244.40	3.06	-40.56
CC1=CC(Cl)=NC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674940	1	24	-1.0	-43.62	244.46	3.08	-40.54
CNC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004674941	0	31	-1.0	-44.46	281.39	1.29	-43.17
CNC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004674941	1	31	-1.0	-44.49	281.45	1.30	-43.19
CC1=NN(CC(F)F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674942	0	28	-1.0	-39.72	266.07	3.29	-36.43
CC1=NN(CC(F)F)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674942	1	28	-1.0	-39.69	266.13	3.31	-36.38
CC(C)CN1C=CC=C(C(=O)OCC2=N[N-]N=N2)C1=O	REAL250004674943	0	34	-1.0	-61.17	290.90	5.59	-55.58
CC(C)CN1C=CC=C(C(=O)OCC2=NN=N[N-]2)C1=O	REAL250004674943	1	34	-1.0	-61.19	290.96	5.60	-55.59
CC1(C2=CC=CC=C2C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674944	0	32	-1.0	-39.94	273.77	6.11	-33.83
CC1(C2=CC=CC=C2C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674944	1	32	-1.0	-39.91	273.82	6.13	-33.78
CCC(C)(C)C1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674945	0	37	-1.0	-39.62	287.71	6.27	-33.35
CCC(C)(C)C1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674945	1	37	-1.0	-39.61	287.76	6.28	-33.33
N#CC1(C(=O)OCC2=N[N-]N=N2)CCSCC1	REAL250004674946	0	27	-1.0	-37.66	248.27	3.55	-34.11
N#CC1(C(=O)OCC2=NN=N[N-]2)CCSCC1	REAL250004674946	1	27	-1.0	-37.68	248.33	3.57	-34.11
CC(C)(C)CC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674947	0	37	-1.0	-39.54	293.90	6.40	-33.14
CC(C)(C)CC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674947	1	37	-1.0	-39.53	293.96	6.42	-33.11
O=C(OCC1=N[N-]N=N1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004674948	0	32	-1.0	-47.46	279.87	4.40	-43.06
O=C(OCC1=NN=N[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL250004674948	1	32	-1.0	-47.46	279.92	4.42	-43.04
O=C(OCC1=N[N-]N=N1)[C@]12C[C@H]1COC21CCC1	REAL250004674949	0	31	-1.0	-38.44	259.85	3.35	-35.09
O=C(OCC1=NN=N[N-]1)[C@]12C[C@H]1COC21CCC1	REAL250004674949	1	31	-1.0	-38.42	259.90	3.36	-35.06
CC1(C(=O)OCC2=N[N-]N=N2)CCC2(CC1)OCCO2	REAL250004674950	0	37	-1.0	-39.02	293.19	3.28	-35.74
CC1(C(=O)OCC2=NN=N[N-]2)CCC2(CC1)OCCO2	REAL250004674950	1	37	-1.0	-39.01	293.25	3.29	-35.72
CC1=CC(C#N)=CC(C)=C1C(=O)OCC1=N[N-]N=N1	REAL250004674951	0	29	-1.0	-38.67	271.40	5.41	-33.26
CC1=CC(C#N)=CC(C)=C1C(=O)OCC1=NN=N[N-]1	REAL250004674951	1	29	-1.0	-38.66	271.46	5.42	-33.24
CCOC(=O)C1(C(=O)OCC2=N[N-]N=N2)CC=CC1	REAL250004674952	0	32	-1.0	-37.88	281.76	4.96	-32.92
CCOC(=O)C1(C(=O)OCC2=NN=N[N-]2)CC=CC1	REAL250004674952	1	32	-1.0	-37.88	281.82	4.97	-32.91
CC1=C(C)OC(CCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004674953	0	30	-1.0	-40.49	272.38	1.50	-38.99
CC1=C(C)OC(CCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004674953	1	30	-1.0	-40.48	272.44	1.51	-38.97
CC(C)(C)C(=O)NCCCC(=O)OCC1=N[N-]N=N1	REAL250004674954	0	37	-1.0	-41.76	313.43	2.74	-39.02
CC(C)(C)C(=O)NCCCC(=O)OCC1=NN=N[N-]1	REAL250004674954	1	37	-1.0	-41.74	313.49	2.76	-38.98
CC(NC(=O)C(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674955	0	34	-1.0	-38.01	290.51	2.13	-35.88
CC(NC(=O)C(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674955	1	34	-1.0	-38.01	290.57	2.13	-35.88
CC(C)(C)C(=O)NCCC(=O)OCC1=N[N-]N=N1	REAL250004674956	0	34	-1.0	-43.43	291.93	1.95	-41.48
CC(C)(C)C(=O)NCCC(=O)OCC1=NN=N[N-]1	REAL250004674956	1	34	-1.0	-43.41	291.99	1.96	-41.45
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL250004674957	0	24	-1.0	-40.04	245.21	2.98	-37.06
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=N1	REAL250004674957	1	24	-1.0	-40.09	245.15	2.97	-37.12
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004674958	0	25	-1.0	-38.06	258.44	3.63	-34.43
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004674958	1	25	-1.0	-38.07	258.49	3.65	-34.42
CC1=NOC(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)=N1	REAL250004674959	0	30	-1.0	-38.54	282.69	3.16	-35.38
CC1=NOC(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)=N1	REAL250004674959	1	30	-1.0	-38.55	282.64	3.15	-35.40
CSC1=CC=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674960	0	29	-1.0	-42.20	266.47	5.32	-36.88
CSC1=CC=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674960	1	29	-1.0	-42.20	266.53	5.34	-36.86
CC1=CC(C)=NC2=C(C(=O)OCC3=N[N-]N=N3)C=NN21	REAL250004674961	0	30	-1.0	-50.40	276.97	3.95	-46.45
CC1=CC(C)=NC2=C(C(=O)OCC3=NN=N[N-]3)C=NN21	REAL250004674961	1	30	-1.0	-50.41	277.03	3.97	-46.44
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N1C1=CC=CC=N1	REAL250004674962	0	35	-1.0	-45.39	307.48	6.63	-38.76
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N1C1=CC=CC=N1	REAL250004674962	1	35	-1.0	-45.36	307.42	6.61	-38.75
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N1C1=CC=CN=C1	REAL250004674963	0	35	-1.0	-43.52	307.76	5.78	-37.74
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N1C1=CC=CN=C1	REAL250004674963	1	35	-1.0	-43.46	307.82	5.79	-37.67
O=C(CN1N=CC2=CC=CC=C2C1=O)OCC1=N[N-]N=N1	REAL250004674964	0	30	-1.0	-50.62	279.24	3.63	-46.99
O=C(CN1N=CC2=CC=CC=C2C1=O)OCC1=NN=N[N-]1	REAL250004674964	1	30	-1.0	-50.59	279.29	3.65	-46.94
O=C(OCC1=NN=N[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL250004674965	0	32	-1.0	-44.24	292.22	6.33	-37.91
O=C(OCC1=N[N-]N=N1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL250004674965	1	32	-1.0	-44.22	292.16	6.31	-37.91
CN1C(C(=O)OCC2=N[N-]N=N2)=CC(Cl)=C1Cl	REAL250004674966	0	23	-1.0	-33.38	246.98	4.14	-29.24
CN1C(C(=O)OCC2=NN=N[N-]2)=CC(Cl)=C1Cl	REAL250004674966	1	23	-1.0	-33.40	247.04	4.16	-29.24
O=C(OCC1=N[N-]N=N1)C1CCCC2=CC=CC=C21	REAL250004674967	0	32	-1.0	-40.16	266.67	6.18	-33.98
O=C(OCC1=NN=N[N-]1)C1CCCC2=CC=CC=C21	REAL250004674967	1	32	-1.0	-40.12	266.72	6.19	-33.93
CCOC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)N=C1C	REAL250004674968	0	33	-1.0	-42.31	299.12	4.05	-38.26
CCOC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)N=C1C	REAL250004674968	1	33	-1.0	-42.31	299.17	4.06	-38.25
CC(=O)NC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674969	0	25	-1.0	-44.09	252.33	0.82	-43.27
CC(=O)NC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674969	1	25	-1.0	-44.08	252.27	0.81	-43.27
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL250004674970	0	22	-1.0	-39.81	226.55	4.25	-35.56
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL250004674970	1	22	-1.0	-39.80	226.61	4.27	-35.53
CC1=CC=CC(C2(C(=O)OCC3=N[N-]N=N3)CCC2)=C1	REAL250004674971	0	35	-1.0	-41.37	291.67	6.85	-34.52
CC1=CC=CC(C2(C(=O)OCC3=NN=N[N-]3)CCC2)=C1	REAL250004674971	1	35	-1.0	-41.37	291.73	6.87	-34.50
CC(C)C(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004674972	0	38	-1.0	-40.73	309.81	4.24	-36.49
CC(C)C(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004674972	1	38	-1.0	-40.79	309.87	4.25	-36.54
CC1=CC=CC(C2=CC=CC=C2C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674973	0	35	-1.0	-41.50	306.46	7.86	-33.64
CC1=CC=CC(C2=CC=CC=C2C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674973	1	35	-1.0	-41.50	306.40	7.84	-33.66
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL250004674974	0	28	-1.0	-45.46	277.10	3.35	-42.11
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL250004674974	1	28	-1.0	-45.47	277.04	3.33	-42.14
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL250004674975	0	35	-1.0	-41.77	306.86	5.98	-35.79
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL250004674975	1	35	-1.0	-41.75	306.92	5.99	-35.76
O=C(OCC1=N[N-]N=N1)C1=CC=CN1CC1=CC=CC=C1	REAL250004674976	0	33	-1.0	-39.33	295.10	6.79	-32.54
O=C(OCC1=NN=N[N-]1)C1=CC=CN1CC1=CC=CC=C1	REAL250004674976	1	33	-1.0	-39.36	295.16	6.80	-32.56
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O=C(OCC1=NN=N[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL250004674978	0	25	-1.0	-49.16	258.66	2.61	-46.55
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CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL250004674979	0	35	-1.0	-41.31	308.53	6.05	-35.26
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL250004674979	1	35	-1.0	-41.29	308.59	6.06	-35.23
CC(NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674980	0	35	-1.0	-36.83	297.48	1.56	-35.27
CC(NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674980	1	35	-1.0	-36.82	297.54	1.58	-35.24
CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004674981	0	41	-1.0	-36.59	330.92	3.26	-33.33
CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004674981	1	41	-1.0	-36.57	330.99	3.27	-33.30
COC1=C2OC(C(=O)OCC3=N[N-]N=N3)=CC2=CC=C1	REAL250004674982	0	29	-1.0	-46.75	269.16	3.57	-43.18
COC1=C2OC(C(=O)OCC3=NN=N[N-]3)=CC2=CC=C1	REAL250004674982	1	29	-1.0	-46.76	269.21	3.58	-43.18
COC1=CC=C2NC=C(CC(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004674983	0	33	-1.0	-45.60	293.87	3.90	-41.70
COC1=CC=C2NC=C(CC(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004674983	1	33	-1.0	-45.59	293.93	3.92	-41.67
CC1=C(CC(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL250004674984	0	32	-1.0	-41.81	283.76	5.11	-36.70
CC1=C(CC(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL250004674984	1	32	-1.0	-41.82	283.82	5.13	-36.69
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CN1N=C(C(C)(C)C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004674986	0	34	-1.0	-35.88	291.61	4.07	-31.81
CN1N=C(C(C)(C)C)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004674986	1	34	-1.0	-35.89	291.56	4.05	-31.84
COC(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004674987	0	28	-1.0	-41.32	265.05	4.43	-36.89
COC(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004674987	1	28	-1.0	-41.36	265.11	4.45	-36.91
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004674988	0	27	-1.0	-42.42	259.87	5.12	-37.30
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004674988	1	27	-1.0	-42.40	259.93	5.13	-37.27
COCC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004674989	0	25	-1.0	-45.68	251.50	0.49	-45.19
COCC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004674989	1	25	-1.0	-45.68	251.56	0.51	-45.17
N#CC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004674990	0	27	-1.0	-41.48	278.16	4.97	-36.51
N#CC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004674990	1	27	-1.0	-41.44	278.22	4.98	-36.46
O=C(CCC1=CC=CC=C1[N+](=O)[O-])OCC1=N[N-]N=N1	REAL250004674991	0	30	-1.0	-45.17	273.33	5.74	-39.43
O=C(CCC1=CC=CC=C1[N+](=O)[O-])OCC1=NN=N[N-]1	REAL250004674991	1	30	-1.0	-45.15	273.39	5.76	-39.39
CC1=NN(C(F)F)C(C)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004674992	0	31	-1.0	-42.84	283.34	3.40	-39.44
CC1=NN(C(F)F)C(C)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004674992	1	31	-1.0	-42.83	283.39	3.42	-39.41
CC(OCC1CCCO1)C(=O)OCC1=N[N-]N=N1	REAL250004674993	0	33	-1.0	-41.30	284.31	2.69	-38.61
CC(OCC1CCCO1)C(=O)OCC1=NN=N[N-]1	REAL250004674993	1	33	-1.0	-41.34	284.37	2.71	-38.63
CC(C)OC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004674994	0	35	-1.0	-38.90	301.70	5.40	-33.50
CC(C)OC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004674994	1	35	-1.0	-38.86	301.75	5.42	-33.44
CC(CC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674995	0	31	-1.0	-37.16	276.72	5.90	-31.26
CC(CC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674995	1	31	-1.0	-37.15	276.78	5.91	-31.24
CC(CC1=CC=CC(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004674996	0	31	-1.0	-37.44	276.73	5.90	-31.54
CC(CC1=CC=CC(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004674996	1	31	-1.0	-37.42	276.79	5.91	-31.51
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL250004674997	0	32	-1.0	-49.54	288.94	4.70	-44.84
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL250004674997	1	32	-1.0	-49.56	289.00	4.71	-44.85
CC1=C(C(=O)OCC2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL250004674997	1	32	-1.0	-38.28	289.14	4.69	-33.59
CC1=C(C(=O)OCC2=NN=N[N-]2)NC(C2=CC=CC=C2)=N1	REAL250004674997	1	32	-1.0	-38.30	289.20	4.71	-33.59
O=C(CCCOC1=CC=C(F)C=C1F)OCC1=N[N-]N=N1	REAL250004674998	0	32	-1.0	-41.46	296.42	5.09	-36.37
O=C(CCCOC1=CC=C(F)C=C1F)OCC1=NN=N[N-]1	REAL250004674998	1	32	-1.0	-41.44	296.47	5.10	-36.34
COC1=CC(Cl)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004674999	0	26	-1.0	-39.47	254.32	4.35	-35.12
COC1=CC(Cl)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004674999	1	26	-1.0	-39.47	254.38	4.37	-35.10
CC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004675000	0	27	-1.0	-43.84	254.51	4.98	-38.86
CC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004675000	1	27	-1.0	-43.85	254.57	4.99	-38.86
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1OCCO2	REAL250004675001	0	28	-1.0	-42.73	252.51	3.55	-39.18
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1OCCO2	REAL250004675001	1	28	-1.0	-42.72	252.56	3.56	-39.16
O=C(OCC1=N[N-]N=N1)C1=CC(Br)=CS1	REAL250004675002	0	19	-1.0	-36.14	222.88	3.44	-32.70
O=C(OCC1=NN=N[N-]1)C1=CC(Br)=CS1	REAL250004675002	1	19	-1.0	-36.14	222.94	3.46	-32.68
CC(=CC(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004675003	0	29	-1.0	-37.69	268.58	5.76	-31.93
CC(=CC(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004675003	1	29	-1.0	-37.68	268.64	5.78	-31.90
CC(C)(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004675004	0	34	-1.0	-36.74	277.83	5.94	-30.80
CC(C)(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004675004	1	34	-1.0	-36.76	277.89	5.96	-30.80
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004675005	0	35	-1.0	-36.88	297.50	1.56	-35.32
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004675005	1	35	-1.0	-36.87	297.56	1.58	-35.29
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004675006	0	39	-1.0	-45.85	321.73	4.34	-41.51
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004675006	1	39	-1.0	-45.86	321.79	4.35	-41.51
C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004675007	0	35	-1.0	-36.84	297.49	1.56	-35.28
C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004675007	1	35	-1.0	-36.86	297.54	1.58	-35.28
CC(OC1=CC=C(F)C(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675008	0	29	-1.0	-38.14	271.80	4.76	-33.38
CC(OC1=CC=C(F)C(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675008	1	29	-1.0	-38.15	271.86	4.77	-33.38
O=C(CCNC(=O)OCC(F)(F)F)OCC1=N[N-]N=N1	REAL250004675009	0	29	-1.0	-40.76	285.48	0.68	-40.08
O=C(CCNC(=O)OCC(F)(F)F)OCC1=NN=N[N-]1	REAL250004675009	1	29	-1.0	-40.79	285.54	0.70	-40.09
O=C(CCN1C=C([N+](=O)[O-])C=N1)OCC1=NN=N[N-]1	REAL250004675010	0	27	-1.0	-40.66	265.04	3.27	-37.39
O=C(CCN1C=C([N+](=O)[O-])C=N1)OCC1=N[N-]N=N1	REAL250004675010	1	27	-1.0	-40.59	264.98	3.26	-37.33
CCCN(CC)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675011	0	39	-1.0	-40.42	326.59	6.80	-33.62
CCCN(CC)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675011	1	39	-1.0	-40.40	326.65	6.81	-33.59
CN1C=CC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004675012	0	29	-1.0	-45.65	261.44	5.43	-40.22
CN1C=CC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004675012	1	29	-1.0	-45.66	261.38	5.42	-40.24
O=C(OCC1=N[N-]N=N1)C1=CSC(C2=CN=CC=N2)=N1	REAL250004675013	0	26	-1.0	-50.32	266.27	0.81	-49.51
O=C(OCC1=NN=N[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL250004675013	1	26	-1.0	-50.29	266.33	0.82	-49.47
CCCNC(=O)CCCC(=O)OCC1=N[N-]N=N1	REAL250004675014	0	34	-1.0	-45.97	296.50	2.28	-43.69
CCCNC(=O)CCCC(=O)OCC1=NN=N[N-]1	REAL250004675014	1	34	-1.0	-46.01	296.55	2.30	-43.71
CC(=O)C1=CSC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675015	0	24	-1.0	-43.37	244.04	3.28	-40.09
CC(=O)C1=CSC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675015	1	24	-1.0	-43.36	244.10	3.29	-40.07
O=C(OCC1=N[N-]N=N1)C1=CNC(Br)=C1	REAL250004675016	0	20	-1.0	-40.66	218.53	2.20	-38.46
O=C(OCC1=NN=N[N-]1)C1=CNC(Br)=C1	REAL250004675016	1	20	-1.0	-40.67	218.59	2.21	-38.46
CC(C)CCN1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004675017	0	33	-1.0	-45.72	291.71	3.05	-42.67
CC(C)CCN1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004675017	1	33	-1.0	-45.72	291.65	3.04	-42.68
CSC1=CC=C(OC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675018	0	33	-1.0	-38.44	299.29	5.65	-32.79
CSC1=CC=C(OC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675018	1	33	-1.0	-38.43	299.35	5.66	-32.77
CCN1C=C(C(=O)OCC2=N[N-]N=N2)C(C(C)C)=N1	REAL250004675019	0	34	-1.0	-39.26	295.72	4.25	-35.01
CCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C(C)C)=N1	REAL250004675019	1	34	-1.0	-39.26	295.78	4.27	-34.99
CC(C)(C)OC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004675020	0	39	-1.0	-43.07	322.22	3.94	-39.13
CC(C)(C)OC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004675020	1	39	-1.0	-43.02	322.28	3.96	-39.06
CC(C)CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004675021	0	37	-1.0	-37.86	307.72	6.98	-30.88
CC(C)CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004675021	1	37	-1.0	-37.87	307.77	7.00	-30.87
CC1=C2NC=C(CC(=O)OCC3=N[N-]N=N3)C2=CC=C1	REAL250004675022	0	32	-1.0	-42.48	285.55	5.27	-37.21
CC1=C2NC=C(CC(=O)OCC3=NN=N[N-]3)C2=CC=C1	REAL250004675022	1	32	-1.0	-42.51	285.61	5.28	-37.23
CC1=NC(C(=O)OCC2=N[N-]N=N2)=C2C=CC=CN12	REAL250004675023	0	28	-1.0	-55.20	257.14	4.81	-50.39
CC1=NC(C(=O)OCC2=NN=N[N-]2)=C2C=CC=CN12	REAL250004675023	1	28	-1.0	-55.19	257.20	4.83	-50.36
O=C(OCC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CCC1	REAL250004675024	0	35	-1.0	-40.63	283.09	6.89	-33.74
O=C(OCC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL250004675024	1	35	-1.0	-40.60	283.14	6.90	-33.70
CC1=NN(C)C(C)=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004675025	0	32	-1.0	-41.83	290.16	3.02	-38.81
CC1=NN(C)C(C)=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004675025	1	32	-1.0	-41.82	290.22	3.03	-38.79
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004675026	0	25	-1.0	-36.25	245.69	4.88	-31.37
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004675026	1	25	-1.0	-36.24	245.75	4.89	-31.35
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004675027	0	41	-1.0	-35.98	325.92	2.71	-33.27
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004675027	1	41	-1.0	-35.99	325.97	2.72	-33.27
CC1=NC(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)=NN1	REAL250004675028	0	31	-1.0	-42.47	287.31	4.50	-37.97
CC1=NC(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)=NN1	REAL250004675028	1	31	-1.0	-42.47	287.37	4.51	-37.96
O=C(C=CSCC1=CC=CO1)OCC1=N[N-]N=N1	REAL250004675029	0	27	-1.0	-40.70	270.03	4.49	-36.21
O=C(C=CSCC1=CC=CO1)OCC1=NN=N[N-]1	REAL250004675029	1	27	-1.0	-40.68	270.08	4.51	-36.17
CCCN1N=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004675030	0	34	-1.0	-41.42	299.52	4.32	-37.10
CCCN1N=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004675030	1	34	-1.0	-41.43	299.58	4.34	-37.09
O=C(OCC1=NN=N[N-]1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL250004675031	0	32	-1.0	-43.38	290.03	3.24	-40.14
O=C(OCC1=N[N-]N=N1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL250004675031	1	32	-1.0	-43.41	289.97	3.23	-40.18
COC(=O)C1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004675032	0	31	-1.0	-45.04	279.87	5.01	-40.03
COC(=O)C1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004675032	1	31	-1.0	-45.03	279.93	5.02	-40.01
CC1=C(C(=O)OCC2=N[N-]N=N2)C=CC2=CN=CN21	REAL250004675033	0	28	-1.0	-38.78	251.19	5.40	-33.38
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CC2=CN=CN21	REAL250004675033	1	28	-1.0	-38.77	251.24	5.42	-33.35
O=C(CCCC1=CC2=CC=CC=C2C=C1)OCC1=N[N-]N=N1	REAL250004675034	0	37	-1.0	-40.43	321.43	8.41	-32.02
O=C(CCCC1=CC2=CC=CC=C2C=C1)OCC1=NN=N[N-]1	REAL250004675034	1	37	-1.0	-40.41	321.49	8.42	-31.99
C=CCCOCCCCC(=O)OCC1=N[N-]N=N1	REAL250004675035	0	35	-1.0	-37.58	305.23	4.53	-33.05
C=CCCOCCCCC(=O)OCC1=NN=N[N-]1	REAL250004675035	1	35	-1.0	-37.60	305.29	4.54	-33.06
CC(CCCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675036	0	37	-1.0	-38.00	314.12	7.42	-30.58
CC(CCCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675036	1	37	-1.0	-37.98	314.18	7.44	-30.54
O=C(OCC1=N[N-]N=N1)C1CCC2=C(Cl)C=CC=C21	REAL250004675037	0	29	-1.0	-37.19	271.17	6.11	-31.08
O=C(OCC1=NN=N[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL250004675037	1	29	-1.0	-37.19	271.23	6.13	-31.06
CCC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL250004675038	0	35	-1.0	-38.82	295.34	5.12	-33.70
CCC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL250004675038	1	35	-1.0	-38.82	295.40	5.13	-33.69
CCC(CC)N1N=C(C)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004675039	0	37	-1.0	-36.51	311.47	5.24	-31.27
CCC(CC)N1N=C(C)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004675039	1	37	-1.0	-36.45	311.53	5.25	-31.20
O=C(CCC1=CC=C2NC=CC2=C1)OCC1=N[N-]N=N1	REAL250004675040	0	32	-1.0	-40.85	285.18	5.40	-35.45
O=C(CCC1=CC=C2NC=CC2=C1)OCC1=NN=N[N-]1	REAL250004675040	1	32	-1.0	-40.83	285.24	5.41	-35.42
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CN=C2C=C1	REAL250004675041	0	26	-1.0	-41.51	246.37	2.23	-39.28
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CN=C2C=C1	REAL250004675041	1	26	-1.0	-41.48	246.32	2.21	-39.27
O=C(OCC1=N[N-]N=N1)C1=CC=C2N=S=NC2=C1	REAL250004675042	0	23	-1.0	-37.80	234.41	2.09	-35.71
O=C(OCC1=NN=N[N-]1)C1=CC=C2N=S=NC2=C1	REAL250004675042	1	23	-1.0	-37.75	234.46	2.11	-35.64
CCC(CC)N1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004675043	0	37	-1.0	-46.56	314.03	5.15	-41.41
CCC(CC)N1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004675043	1	37	-1.0	-46.53	314.09	5.16	-41.37
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C1CCCCC1	REAL250004675044	0	38	-1.0	-46.80	317.16	5.52	-41.28
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C1CCCCC1	REAL250004675044	1	38	-1.0	-46.82	317.22	5.53	-41.29
CCSCC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675045	0	32	-1.0	-41.11	290.72	6.35	-34.76
CCSCC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675045	1	32	-1.0	-41.11	290.78	6.36	-34.75
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CC(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1C	REAL250004675047	0	30	-1.0	-37.86	268.90	4.94	-32.92
CC(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1C	REAL250004675047	1	30	-1.0	-37.87	268.96	4.95	-32.92
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O=C(OCC1=N[N-]N=N1)C1=NN(CC(F)F)C=C1	REAL250004675048	1	25	-1.0	-45.46	248.28	2.75	-42.71
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CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1CC1CCCC1	REAL250004675050	1	37	-1.0	-46.01	305.20	3.78	-42.23
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O=C(OCC1=NN=N[N-]1)C1CCC(=O)C2=CC=CN21	REAL250004675052	1	29	-1.0	-38.29	257.29	4.03	-34.26
CC1(C)COC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004675053	0	33	-1.0	-44.00	286.04	5.35	-38.65
CC1(C)COC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004675053	1	33	-1.0	-43.97	286.10	5.36	-38.61
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=COC=C2)=N1	REAL250004675054	0	29	-1.0	-41.73	270.80	3.11	-38.62
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=COC=C2)=N1	REAL250004675054	1	29	-1.0	-41.74	270.75	3.09	-38.65
O=C(CN1CCC2=CC=CC=C2C1=O)OCC1=N[N-]N=N1	REAL250004675055	0	33	-1.0	-46.78	291.54	5.03	-41.75
O=C(CN1CCC2=CC=CC=C2C1=O)OCC1=NN=N[N-]1	REAL250004675055	1	33	-1.0	-46.74	291.60	5.05	-41.69
O=C(CC1=CC(F)=C(F)C=C1F)OCC1=N[N-]N=N1	REAL250004675056	0	25	-1.0	-38.01	250.53	4.71	-33.30
O=C(CC1=CC(F)=C(F)C=C1F)OCC1=NN=N[N-]1	REAL250004675056	1	25	-1.0	-38.00	250.59	4.72	-33.28
O=C(CC1=CC=CC(C(F)F)=C1)OCC1=N[N-]N=N1	REAL250004675057	0	28	-1.0	-40.27	264.60	5.42	-34.85
O=C(CC1=CC=CC(C(F)F)=C1)OCC1=NN=N[N-]1	REAL250004675057	1	28	-1.0	-40.26	264.66	5.44	-34.82
CC1=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2O1	REAL250004675058	0	27	-1.0	-39.92	253.86	1.43	-38.49
CC1=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2O1	REAL250004675058	1	27	-1.0	-39.92	253.92	1.44	-38.48
CC1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C2O1	REAL250004675059	0	27	-1.0	-46.57	253.47	1.63	-44.94
CC1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C2O1	REAL250004675059	1	27	-1.0	-46.59	253.52	1.64	-44.95
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675060	0	35	-1.0	-40.08	305.22	6.92	-33.16
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675060	1	35	-1.0	-40.07	305.28	6.93	-33.14
O=C(OCC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C1	REAL250004675061	0	30	-1.0	-38.63	265.61	1.56	-37.07
O=C(OCC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C1	REAL250004675061	1	30	-1.0	-38.59	265.66	1.58	-37.01
O=C(OCC1=N[N-]N=N1)C1(C2CCCCC2)CCCCC1	REAL250004675062	0	44	-1.0	-39.00	311.25	7.32	-31.68
O=C(OCC1=NN=N[N-]1)C1(C2CCCCC2)CCCCC1	REAL250004675062	1	44	-1.0	-38.99	311.31	7.33	-31.66
O=C(OCC1=NN=N[N-]1)C1=NN(C2CCCCC2)C=C1	REAL250004675063	0	35	-1.0	-45.00	295.69	4.86	-40.14
O=C(OCC1=N[N-]N=N1)C1=NN(C2CCCCC2)C=C1	REAL250004675063	1	35	-1.0	-44.96	295.64	4.84	-40.12
O=C(OCC1=NN=N[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL250004675064	0	29	-1.0	-37.35	265.22	4.98	-32.37
O=C(OCC1=N[N-]N=N1)C1=CC=NN1C1=CC=CC=C1	REAL250004675064	1	29	-1.0	-37.37	265.16	4.96	-32.41
O=C(CCC1=CC2=CC=CC=C2N=C1)OCC1=NN=N[N-]1	REAL250004675065	0	33	-1.0	-40.86	295.05	5.73	-35.13
O=C(CCC1=CC2=CC=CC=C2N=C1)OCC1=N[N-]N=N1	REAL250004675065	1	33	-1.0	-40.89	294.99	5.71	-35.18
NC(=O)C1=CC=CC=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004675066	0	32	-1.0	-45.78	279.76	2.11	-43.67
NC(=O)C1=CC=CC=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004675066	1	32	-1.0	-45.83	279.81	2.13	-43.70
O=C(CCSCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004675067	0	32	-1.0	-37.60	298.50	6.73	-30.87
O=C(CCSCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004675067	1	32	-1.0	-37.58	298.56	6.75	-30.83
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL250004675068	0	26	-1.0	-42.90	250.87	2.24	-40.66
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CN=C2C=C1F	REAL250004675068	1	26	-1.0	-42.91	250.82	2.23	-40.68
O=C(OCC1=N[N-]N=N1)C1CC12CCS(=O)(=O)CC2	REAL250004675069	0	32	-1.0	-48.90	284.33	1.51	-47.39
O=C(OCC1=NN=N[N-]1)C1CC12CCS(=O)(=O)CC2	REAL250004675069	1	32	-1.0	-48.85	284.38	1.52	-47.33
CC1=NC2=CC=CC=C2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004675070	0	30	-1.0	-38.63	267.78	4.67	-33.96
CC1=NC2=CC=CC=C2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004675070	1	30	-1.0	-38.60	267.84	4.69	-33.91
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675071	0	35	-1.0	-39.48	306.51	6.55	-32.93
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675071	1	35	-1.0	-39.48	306.57	6.57	-32.91
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(C2CC2)=N1	REAL250004675072	0	31	-1.0	-38.44	274.04	4.77	-33.67
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(C2CC2)=N1	REAL250004675072	1	31	-1.0	-38.44	274.09	4.78	-33.66
O=C(OCC1=N[N-]N=N1)C1CN(C(=O)C2CCCCC2)C1	REAL250004675073	0	39	-1.0	-39.28	319.18	4.59	-34.69
O=C(OCC1=NN=N[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL250004675073	1	39	-1.0	-39.26	319.24	4.60	-34.66
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL250004675074	0	27	-1.0	-41.02	251.66	4.18	-36.84
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL250004675074	1	27	-1.0	-41.04	251.60	4.16	-36.88
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(Cl)S1	REAL250004675075	0	21	-1.0	-43.03	230.09	1.94	-41.09
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(Cl)S1	REAL250004675075	1	21	-1.0	-43.03	230.03	1.92	-41.11
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675076	0	34	-1.0	-36.70	302.42	6.69	-30.01
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675076	1	34	-1.0	-36.67	302.48	6.70	-29.97
O=C(OCC1=NN=N[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL250004675077	0	25	-1.0	-50.35	252.36	2.90	-47.45
O=C(OCC1=N[N-]N=N1)C1=C(N2C=CN=N2)C=CS1	REAL250004675077	1	25	-1.0	-50.32	252.30	2.88	-47.44
O=C(COCC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004675078	0	29	-1.0	-40.32	283.62	5.05	-35.27
O=C(COCC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004675078	1	29	-1.0	-40.30	283.68	5.06	-35.24
CC(CC1=CN(C)N=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675079	0	31	-1.0	-40.63	273.76	3.57	-37.06
CC(CC1=CN(C)N=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675079	1	31	-1.0	-40.64	273.70	3.56	-37.08
O=C(OCC1=N[N-]N=N1)C1=CC(Br)=CO1	REAL250004675080	0	19	-1.0	-38.03	214.28	2.50	-35.53
O=C(OCC1=NN=N[N-]1)C1=CC(Br)=CO1	REAL250004675080	1	19	-1.0	-38.00	214.34	2.51	-35.49
C[C@H]1CC[C@@](C)(C(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004675081	0	37	-1.0	-38.86	277.70	5.29	-33.57
C[C@H]1CC[C@@](C)(C(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004675081	1	37	-1.0	-38.85	277.75	5.31	-33.54
O=C(C=CC1=CC=C(C2CC2)C=C1)OCC1=N[N-]N=N1	REAL250004675082	0	33	-1.0	-38.92	291.36	7.13	-31.79
O=C(C=CC1=CC=C(C2CC2)C=C1)OCC1=NN=N[N-]1	REAL250004675082	1	33	-1.0	-38.94	291.42	7.14	-31.80
COCC1(C(=O)OCC2=N[N-]N=N2)CCCCC1	REAL250004675083	0	35	-1.0	-41.92	278.78	4.17	-37.75
COCC1(C(=O)OCC2=NN=N[N-]2)CCCCC1	REAL250004675083	1	35	-1.0	-41.91	278.83	4.19	-37.72
O=C(OCC1=N[N-]N=N1)C1=CN=C2CCCCCN12	REAL250004675084	0	32	-1.0	-38.09	265.35	4.24	-33.85
O=C(OCC1=NN=N[N-]1)C1=CN=C2CCCCCN12	REAL250004675084	1	32	-1.0	-38.11	265.41	4.25	-33.86
O=C(OCC1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004675085	0	31	-1.0	-44.59	288.88	6.87	-37.72
O=C(OCC1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL250004675085	1	31	-1.0	-44.60	288.82	6.86	-37.74
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004675086	0	31	-1.0	-43.43	285.94	6.53	-36.90
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL250004675086	1	31	-1.0	-43.41	286.00	6.54	-36.87
CC1=C(S(C)(=O)=O)C=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004675087	0	28	-1.0	-48.82	273.41	0.17	-48.65
CC1=C(S(C)(=O)=O)C=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004675087	1	28	-1.0	-48.87	273.47	0.18	-48.69
O=C(OCC1=N[N-]N=N1)C1=CC2=CSC=C2S1	REAL250004675088	0	22	-1.0	-42.30	239.33	4.19	-38.11
O=C(OCC1=NN=N[N-]1)C1=CC2=CSC=C2S1	REAL250004675088	1	22	-1.0	-42.32	239.39	4.21	-38.11
CC1=CC=CC=C1CC(C)C(=O)OCC1=N[N-]N=N1	REAL250004675089	0	34	-1.0	-37.02	286.37	6.29	-30.73
CC1=CC=CC=C1CC(C)C(=O)OCC1=NN=N[N-]1	REAL250004675089	1	34	-1.0	-37.03	286.43	6.30	-30.73
CC1=C(C(=O)OCC2=N[N-]N=N2)OC(C(F)F)=C1	REAL250004675090	0	25	-1.0	-41.92	245.08	3.54	-38.38
CC1=C(C(=O)OCC2=NN=N[N-]2)OC(C(F)F)=C1	REAL250004675090	1	25	-1.0	-41.91	245.14	3.55	-38.36
O=C(OCC1=N[N-]N=N1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004675091	0	30	-1.0	-40.29	275.65	6.69	-33.60
O=C(OCC1=NN=N[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL250004675091	1	30	-1.0	-40.30	275.71	6.70	-33.60
CC1=CC=C2OC=C(CC(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004675092	0	31	-1.0	-41.65	281.73	5.60	-36.05
CC1=CC=C2OC=C(CC(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004675092	1	31	-1.0	-41.62	281.78	5.61	-36.01
COC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004675093	0	29	-1.0	-37.62	271.18	4.39	-33.23
COC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004675093	1	29	-1.0	-37.62	271.24	4.41	-33.21
CCCC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004675094	0	34	-1.0	-36.48	307.27	7.00	-29.48
CCCC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004675094	1	34	-1.0	-36.49	307.33	7.02	-29.47
O=C(OCC1=N[N-]N=N1)C1CC2=C(Cl)C=CC=C21	REAL250004675095	0	26	-1.0	-37.62	254.40	5.63	-31.99
O=C(OCC1=NN=N[N-]1)C1CC2=C(Cl)C=CC=C21	REAL250004675095	1	26	-1.0	-37.64	254.46	5.64	-32.00
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004675096	0	27	-1.0	-40.93	267.11	3.81	-37.12
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL250004675096	1	27	-1.0	-40.92	267.17	3.82	-37.10
O=C(OCC1=N[N-]N=N1)C1CCC2=CC=CC=C2CC1	REAL250004675097	0	35	-1.0	-37.83	286.70	6.70	-31.13
O=C(OCC1=NN=N[N-]1)C1CCC2=CC=CC=C2CC1	REAL250004675097	1	35	-1.0	-37.85	286.76	6.71	-31.14
O=C(CC(C1CCC1)C1CCC1)OCC1=N[N-]N=N1	REAL250004675098	0	38	-1.0	-37.76	296.91	6.55	-31.21
O=C(CC(C1CCC1)C1CCC1)OCC1=NN=N[N-]1	REAL250004675098	1	38	-1.0	-37.73	296.97	6.56	-31.17
CC1=CC=C(COC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675099	0	35	-1.0	-40.03	308.55	5.94	-34.09
CC1=CC=C(COC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675099	1	35	-1.0	-40.01	308.61	5.96	-34.05
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004675100	0	30	-1.0	-41.05	284.14	4.95	-36.10
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL250004675100	1	30	-1.0	-41.04	284.20	4.96	-36.08
O=C(OCC1=N[N-]N=N1)C1C2CC3=CC=CC=C3C21	REAL250004675101	0	30	-1.0	-38.79	266.90	6.47	-32.32
O=C(OCC1=NN=N[N-]1)C1C2CC3=CC=CC=C3C21	REAL250004675101	1	30	-1.0	-38.80	266.96	6.48	-32.32
O=C(OCC1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL250004675102	0	30	-1.0	-36.48	269.87	4.45	-32.03
O=C(OCC1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250004675102	1	30	-1.0	-36.47	269.92	4.46	-32.01
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL250004675103	0	28	-1.0	-46.75	274.21	0.13	-46.62
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL250004675103	1	28	-1.0	-46.74	274.27	0.14	-46.60
CC1=CC=CC=C1COC(C)C(=O)OCC1=N[N-]N=N1	REAL250004675104	0	35	-1.0	-40.15	303.18	5.96	-34.19
CC1=CC=CC=C1COC(C)C(=O)OCC1=NN=N[N-]1	REAL250004675104	1	35	-1.0	-40.17	303.24	5.98	-34.19
O=C(OCC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL250004675105	0	22	-1.0	-35.77	241.97	3.93	-31.84
O=C(OCC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250004675105	1	22	-1.0	-35.73	242.03	3.94	-31.79
O=C(OCC1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004675106	0	35	-1.0	-37.48	293.48	6.93	-30.55
O=C(OCC1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250004675106	1	35	-1.0	-37.48	293.53	6.94	-30.54
COCCCN1C=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675107	0	32	-1.0	-43.57	291.35	2.32	-41.25
COCCCN1C=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675107	1	32	-1.0	-43.58	291.29	2.31	-41.27
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C1CCOCC1	REAL250004675108	0	36	-1.0	-49.11	307.94	3.12	-45.99
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C1CCOCC1	REAL250004675108	1	36	-1.0	-49.10	308.00	3.13	-45.97
CN1C=C(N2CC(C(=O)OCC3=NN=N[N-]3)CC2=O)C=N1	REAL250004675109	0	33	-1.0	-41.48	293.43	2.68	-38.80
CN1C=C(N2CC(C(=O)OCC3=N[N-]N=N3)CC2=O)C=N1	REAL250004675109	1	33	-1.0	-41.50	293.37	2.67	-38.83
O=C(OCC1=NN=N[N-]1)C1=C2SC=CC2=CC=N1	REAL250004675110	0	24	-1.0	-45.93	240.66	3.30	-42.63
O=C(OCC1=N[N-]N=N1)C1=C2SC=CC2=CC=N1	REAL250004675110	1	24	-1.0	-45.96	240.61	3.28	-42.68
O=C(OCC1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004675111	0	31	-1.0	-54.87	264.61	2.77	-52.10
O=C(OCC1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250004675111	1	31	-1.0	-54.89	264.66	2.78	-52.11
CS(=O)(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675112	1	29	-1.0	-46.17	279.25	0.03	-46.14
CS(=O)(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675112	1	29	-1.0	-46.15	279.19	0.02	-46.13
O=C(CN1C=CC(C(F)F)=N1)OCC1=N[N-]N=N1	REAL250004675113	0	25	-1.0	-45.83	247.23	2.82	-43.01
O=C(CN1C=CC(C(F)F)=N1)OCC1=NN=N[N-]1	REAL250004675113	1	25	-1.0	-45.82	247.29	2.83	-42.99
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL250004675114	0	28	-1.0	-41.30	256.67	3.01	-38.29
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250004675114	1	28	-1.0	-41.25	256.72	3.02	-38.23
CC1=CN2C=CN=C2C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675115	0	28	-1.0	-53.16	258.20	5.19	-47.97
CC1=CN2C=CN=C2C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675115	1	28	-1.0	-53.16	258.15	5.17	-47.99
O=C(OCC1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL250004675116	0	33	-1.0	-43.25	289.59	2.17	-41.08
O=C(OCC1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL250004675116	1	33	-1.0	-43.26	289.53	2.15	-41.11
O=C(OCC1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004675117	0	29	-1.0	-39.53	277.05	4.96	-34.57
O=C(OCC1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL250004675117	1	29	-1.0	-39.52	277.00	4.95	-34.57
O=C(OCC1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004675118	0	24	-1.0	-41.92	256.06	3.75	-38.17
O=C(OCC1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL250004675118	1	24	-1.0	-41.92	256.00	3.74	-38.18
O=C(OCC1=N[N-]N=N1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004675119	0	31	-1.0	-46.02	277.99	4.48	-41.54
O=C(OCC1=NN=N[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL250004675119	1	31	-1.0	-46.00	278.05	4.49	-41.51
O=C(CN1N=NN=C1C1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004675120	0	30	-1.0	-41.21	276.01	3.55	-37.66
O=C(CN1N=NN=C1C1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004675120	1	30	-1.0	-41.22	276.07	3.57	-37.65
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004675121	0	29	-1.0	-40.35	275.48	3.22	-37.13
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250004675121	1	29	-1.0	-40.35	275.54	3.24	-37.11
COC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004675122	0	32	-1.0	-39.46	278.65	4.39	-35.07
COC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004675122	1	32	-1.0	-39.44	278.71	4.41	-35.03
CN1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C(F)F	REAL250004675123	0	25	-1.0	-43.78	243.20	2.26	-41.52
CN1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C(F)F	REAL250004675123	1	25	-1.0	-43.75	243.26	2.27	-41.48
O=C(OCC1=N[N-]N=N1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004675124	0	31	-1.0	-43.65	288.55	6.60	-37.05
O=C(OCC1=NN=N[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL250004675124	1	31	-1.0	-43.66	288.60	6.62	-37.04
O=C(OCC1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL250004675125	0	25	-1.0	-36.68	246.90	4.66	-32.02
O=C(OCC1=NN=N[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250004675125	1	25	-1.0	-36.66	246.96	4.68	-31.98
CC(C)CC1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004675126	0	30	-1.0	-38.34	279.52	3.95	-34.39
CC(C)CC1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004675126	1	30	-1.0	-38.35	279.58	3.96	-34.39
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)F)C(F)=C1	REAL250004675127	0	25	-1.0	-43.17	249.64	4.75	-38.42
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250004675127	1	25	-1.0	-43.14	249.70	4.76	-38.38
O=C(OCC1=N[N-]N=N1)C1=CSC(C2CCCCC2)=C1	REAL250004675128	0	35	-1.0	-37.83	306.23	6.81	-31.02
O=C(OCC1=NN=N[N-]1)C1=CSC(C2CCCCC2)=C1	REAL250004675128	1	35	-1.0	-37.83	306.28	6.82	-31.01
CC(C)(C)CC1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004675129	0	33	-1.0	-38.55	294.77	4.30	-34.25
CC(C)(C)CC1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004675129	1	33	-1.0	-38.53	294.82	4.32	-34.21
COC12CCC(C(=O)OCC3=N[N-]N=N3)(CC1)CC2	REAL250004675130	0	36	-1.0	-36.39	280.94	3.64	-32.75
COC12CCC(C(=O)OCC3=NN=N[N-]3)(CC1)CC2	REAL250004675130	1	36	-1.0	-36.45	280.99	3.66	-32.79
CC(=O)N1CSC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004675131	0	27	-1.0	-44.63	251.85	2.78	-41.85
CC(=O)N1CSC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004675131	1	27	-1.0	-44.64	251.90	2.79	-41.85
O=C(C=CC1=CC=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004675132	0	26	-1.0	-39.53	256.43	5.45	-34.08
O=C(C=CC1=CC=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004675132	1	26	-1.0	-39.48	256.49	5.47	-34.01
O=C(C=CC1=CC=C(Br)O1)OCC1=N[N-]N=N1	REAL250004675133	0	23	-1.0	-40.25	246.51	3.96	-36.29
O=C(C=CC1=CC=C(Br)O1)OCC1=NN=N[N-]1	REAL250004675133	1	23	-1.0	-40.27	246.57	3.97	-36.30
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL250004675134	0	37	-1.0	-43.86	304.73	5.60	-38.26
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)OCC1=NN=N[N-]1	REAL250004675134	1	37	-1.0	-43.80	304.79	5.61	-38.19
O=C(COC1CCCCCC1)OCC1=N[N-]N=N1	REAL250004675135	0	35	-1.0	-38.14	280.15	4.58	-33.56
O=C(COC1CCCCCC1)OCC1=NN=N[N-]1	REAL250004675135	1	35	-1.0	-38.10	280.21	4.59	-33.51
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1CCCCC2	REAL250004675136	0	35	-1.0	-40.27	281.61	6.56	-33.71
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1CCCCC2	REAL250004675136	1	35	-1.0	-40.23	281.67	6.58	-33.65
O=C(CC1=NN(CC(F)(F)F)C=C1)OCC1=N[N-]N=N1	REAL250004675137	0	28	-1.0	-46.90	273.85	3.68	-43.22
O=C(CC1=NN(CC(F)(F)F)C=C1)OCC1=NN=N[N-]1	REAL250004675137	1	28	-1.0	-46.89	273.91	3.69	-43.20
O=C(CC1=CC=CC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004675138	0	31	-1.0	-40.43	275.09	6.70	-33.73
O=C(CC1=CC=CC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004675138	1	31	-1.0	-40.37	275.15	6.71	-33.66
O=C(OCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL250004675139	0	22	-1.0	-36.04	231.56	4.41	-31.63
O=C(OCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004675139	1	22	-1.0	-36.01	231.62	4.42	-31.59
O=C(CCC(=O)C1=CC=CS1)OCC1=N[N-]N=N1	REAL250004675140	0	27	-1.0	-39.76	264.92	4.28	-35.48
O=C(CCC(=O)C1=CC=CS1)OCC1=NN=N[N-]1	REAL250004675140	1	27	-1.0	-39.76	264.97	4.30	-35.46
CC(C)(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675141	0	34	-1.0	-38.47	286.39	6.10	-32.37
CC(C)(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675141	1	34	-1.0	-38.48	286.44	6.12	-32.36
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004675142	0	33	-1.0	-38.19	298.91	6.64	-31.55
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL250004675142	1	33	-1.0	-38.22	298.97	6.66	-31.56
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL250004675143	0	25	-1.0	-35.86	248.97	4.78	-31.08
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004675143	1	25	-1.0	-35.85	249.02	4.80	-31.05
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL250004675144	0	25	-1.0	-37.14	248.97	4.77	-32.37
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004675144	1	25	-1.0	-37.10	249.03	4.79	-32.31
O=C(OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL250004675145	0	24	-1.0	-39.84	251.27	5.40	-34.44
O=C(OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL250004675145	1	24	-1.0	-39.83	251.33	5.41	-34.42
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O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL250004675156	0	22	-1.0	-35.08	243.74	4.79	-30.29
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CC(OCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675189	0	32	-1.0	-39.92	287.14	5.27	-34.65
CC(OCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675189	1	32	-1.0	-39.94	287.20	5.28	-34.66
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CC(C)C(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675193	1	35	-1.0	-42.83	305.97	4.16	-38.67
CC(C)C1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675194	0	35	-1.0	-39.04	301.54	5.95	-33.09
CC(C)C1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675194	1	35	-1.0	-39.03	301.60	5.96	-33.07
CC(C)C1=CC(OC(C)C(=O)OCC2=N[N-]N=N2)=CC=C1	REAL250004675195	0	38	-1.0	-38.19	319.32	6.56	-31.63
CC(C)C1=CC(OC(C)C(=O)OCC2=NN=N[N-]2)=CC=C1	REAL250004675195	1	38	-1.0	-38.17	319.38	6.58	-31.59
CC(OC1=CC=CC=C1F)C(=O)OCC1=N[N-]N=N1	REAL250004675196	0	29	-1.0	-41.68	265.33	4.71	-36.97
CC(OC1=CC=CC=C1F)C(=O)OCC1=NN=N[N-]1	REAL250004675196	1	29	-1.0	-41.66	265.39	4.72	-36.94
CC(OC1=CC=CC(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675197	0	29	-1.0	-38.10	265.52	4.71	-33.39
CC(OC1=CC=CC(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675197	1	29	-1.0	-38.10	265.58	4.73	-33.37
CC(NC(=O)C1CCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004675198	0	35	-1.0	-37.94	295.11	2.77	-35.17
CC(NC(=O)C1CCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004675198	1	35	-1.0	-37.96	295.17	2.79	-35.17
CC(NC(=O)C1=COC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675199	0	29	-1.0	-40.96	270.85	1.16	-39.80
CC(NC(=O)C1=COC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675199	1	29	-1.0	-40.97	270.91	1.17	-39.80
CC(C)(C)C(=O)N1CCCC1C(=O)OCC1=N[N-]N=N1	REAL250004675200	0	38	-1.0	-47.93	302.73	4.27	-43.66
CC(C)(C)C(=O)N1CCCC1C(=O)OCC1=NN=N[N-]1	REAL250004675200	1	38	-1.0	-47.89	302.79	4.29	-43.60
CC(=O)C1=CC=CC(OC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675201	0	34	-1.0	-45.92	301.89	5.13	-40.79
CC(=O)C1=CC=CC(OC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675201	1	34	-1.0	-45.91	301.95	5.15	-40.76
CCS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675202	0	31	-1.0	-43.90	292.39	2.22	-41.68
CCS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675202	1	31	-1.0	-43.92	292.45	2.23	-41.69
CC1=CC=C(CCCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675203	0	37	-1.0	-38.09	318.21	7.61	-30.48
CC1=CC=C(CCCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675203	1	37	-1.0	-38.09	318.27	7.62	-30.47
CC(C)CC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004675204	0	30	-1.0	-44.10	277.56	3.45	-40.65
CC(C)CC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675204	1	30	-1.0	-44.08	277.61	3.46	-40.62
CC(OCC1CCCCO1)C(=O)OCC1=N[N-]N=N1	REAL250004675205	0	36	-1.0	-41.38	302.30	3.53	-37.85
CC(OCC1CCCCO1)C(=O)OCC1=NN=N[N-]1	REAL250004675205	1	36	-1.0	-41.41	302.36	3.55	-37.86
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])OCC1=N[N-]N=N1	REAL250004675206	0	28	-1.0	-42.11	274.29	5.68	-36.43
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])OCC1=NN=N[N-]1	REAL250004675206	1	28	-1.0	-42.10	274.35	5.69	-36.41
CC1=NN(C)C(C)=C1C(C)C(=O)OCC1=N[N-]N=N1	REAL250004675207	0	34	-1.0	-42.14	285.30	3.65	-38.49
CC1=NN(C)C(C)=C1C(C)C(=O)OCC1=NN=N[N-]1	REAL250004675207	1	34	-1.0	-42.16	285.36	3.66	-38.50
CC(OCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675208	0	32	-1.0	-39.92	287.14	5.27	-34.65
CC(OCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675208	1	32	-1.0	-39.94	287.20	5.28	-34.66
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL250004675209	0	29	-1.0	-44.83	274.98	5.19	-39.64
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2F)N=C1	REAL250004675209	1	29	-1.0	-44.83	274.92	5.17	-39.66
O=C(COCCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004675210	0	32	-1.0	-39.10	288.38	5.31	-33.79
O=C(COCCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004675210	1	32	-1.0	-39.09	288.44	5.32	-33.77
COC1=CC=C(CCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675211	0	35	-1.0	-40.16	304.81	5.45	-34.71
COC1=CC=C(CCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675211	1	35	-1.0	-40.14	304.87	5.46	-34.68
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL250004675212	0	33	-1.0	-37.95	295.60	4.04	-33.91
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL250004675212	1	33	-1.0	-37.93	295.66	4.05	-33.88
CC1=C2OC(C(=O)OCC3=N[N-]N=N3)=CC2=CC=C1	REAL250004675213	0	28	-1.0	-42.94	261.07	4.96	-37.98
CC1=C2OC(C(=O)OCC3=NN=N[N-]3)=CC2=CC=C1	REAL250004675213	1	28	-1.0	-42.98	261.12	4.97	-38.01
O=C(OCC1=N[N-]N=N1)C1=CSC(C2CC2)=N1	REAL250004675214	0	25	-1.0	-44.61	247.69	2.96	-41.65
O=C(OCC1=NN=N[N-]1)C1=CSC(C2CC2)=N1	REAL250004675214	1	25	-1.0	-44.62	247.75	2.97	-41.65
COC1=CC=C2CC(C(=O)OCC3=N[N-]N=N3)COC2=C1	REAL250004675215	0	34	-1.0	-38.45	292.97	3.68	-34.77
COC1=CC=C2CC(C(=O)OCC3=NN=N[N-]3)COC2=C1	REAL250004675215	1	34	-1.0	-38.49	293.03	3.70	-34.79
O=C(CCCOC1=CC=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004675216	0	32	-1.0	-41.32	299.81	5.51	-35.81
O=C(CCCOC1=CC=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004675216	1	32	-1.0	-41.32	299.87	5.53	-35.79
O=C(CCCOCC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004675217	0	35	-1.0	-40.20	309.33	5.43	-34.77
O=C(CCCOCC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004675217	1	35	-1.0	-40.22	309.39	5.44	-34.78
CCC1=NC(C)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004675218	0	27	-1.0	-37.92	256.99	2.96	-34.96
CCC1=NC(C)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004675218	1	27	-1.0	-37.97	257.05	2.98	-34.99
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004675219	0	32	-1.0	-44.61	291.74	5.48	-39.13
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OC1=CC=CN=C1	REAL250004675219	1	32	-1.0	-44.62	291.68	5.47	-39.15
CC(C)(C)CC(=O)N1CCCC1C(=O)OCC1=N[N-]N=N1	REAL250004675220	0	41	-1.0	-46.15	326.77	5.51	-40.64
CC(C)(C)CC(=O)N1CCCC1C(=O)OCC1=NN=N[N-]1	REAL250004675220	1	41	-1.0	-46.12	326.83	5.52	-40.60
CCCNC(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675221	0	35	-1.0	-45.63	309.70	3.67	-41.96
CCCNC(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675221	1	35	-1.0	-45.63	309.76	3.68	-41.95
CCCCCCCCOCC(=O)OCC1=N[N-]N=N1	REAL250004675222	0	40	-1.0	-38.31	335.96	6.19	-32.12
CCCCCCCCOCC(=O)OCC1=NN=N[N-]1	REAL250004675222	1	40	-1.0	-38.24	336.02	6.20	-32.04
CC1=C2NC=C(CCC(=O)OCC3=N[N-]N=N3)C2=CC=C1	REAL250004675223	0	35	-1.0	-40.97	306.95	6.07	-34.90
CC1=C2NC=C(CCC(=O)OCC3=NN=N[N-]3)C2=CC=C1	REAL250004675223	1	35	-1.0	-40.92	307.01	6.08	-34.84
CCC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1CC	REAL250004675224	0	30	-1.0	-46.28	269.38	2.13	-44.15
CCC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1CC	REAL250004675224	1	30	-1.0	-46.30	269.44	2.15	-44.15
CC(C)C1=NN(C)C(Cl)=C1C(=O)OCC1=N[N-]N=N1	REAL250004675225	0	31	-1.0	-39.66	294.09	3.85	-35.81
CC(C)C1=NN(C)C(Cl)=C1C(=O)OCC1=NN=N[N-]1	REAL250004675225	1	31	-1.0	-39.65	294.14	3.87	-35.78
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004675226	0	27	-1.0	-45.33	271.61	-1.91	-47.24
CNS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004675226	1	27	-1.0	-45.34	271.66	-1.90	-47.24
CC1=NN=C(C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)O1	REAL250004675227	0	30	-1.0	-44.27	283.17	0.43	-43.84
CC1=NN=C(C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)O1	REAL250004675227	1	30	-1.0	-44.25	283.23	0.44	-43.81
O=C(OCC1=N[N-]N=N1)C1=CC=C2SC=CC2=C1	REAL250004675228	0	25	-1.0	-38.21	247.15	5.13	-33.08
O=C(OCC1=NN=N[N-]1)C1=CC=C2SC=CC2=C1	REAL250004675228	1	25	-1.0	-38.16	247.21	5.14	-33.02
CC(OC1CCCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004675229	0	38	-1.0	-38.01	300.56	5.31	-32.70
CC(OC1CCCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004675229	1	38	-1.0	-37.99	300.62	5.32	-32.67
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CC2)S1	REAL250004675230	0	26	-1.0	-39.25	253.08	5.15	-34.10
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CC2)S1	REAL250004675230	1	26	-1.0	-39.22	253.14	5.16	-34.06
CCC(OC1CCCCC1)C(=O)OCC1=N[N-]N=N1	REAL250004675231	0	38	-1.0	-37.24	309.68	5.68	-31.56
CCC(OC1CCCCC1)C(=O)OCC1=NN=N[N-]1	REAL250004675231	1	38	-1.0	-37.24	309.73	5.70	-31.54
O=C(CCC1=NN=C(C2CCCC2)O1)OCC1=N[N-]N=N1	REAL250004675232	0	36	-1.0	-40.43	311.29	0.92	-39.51
O=C(CCC1=NN=C(C2CCCC2)O1)OCC1=NN=N[N-]1	REAL250004675232	1	36	-1.0	-40.40	311.35	0.94	-39.46
CC(C)(C)C(=O)CN1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004675233	0	35	-1.0	-54.80	311.05	2.86	-51.94
CC(C)(C)C(=O)CN1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004675233	1	35	-1.0	-54.81	311.00	2.84	-51.97
O=C(CCC1=NC(C2CCCC2)=NO1)OCC1=N[N-]N=N1	REAL250004675234	0	36	-1.0	-38.55	310.98	3.33	-35.22
O=C(CCC1=NC(C2CCCC2)=NO1)OCC1=NN=N[N-]1	REAL250004675234	1	36	-1.0	-38.54	311.04	3.35	-35.19
CNC(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675235	0	28	-1.0	-41.64	264.96	0.30	-41.34
CNC(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675235	1	28	-1.0	-41.64	264.91	0.28	-41.36
CC1=CSC2=NC=C(C(=O)OCC3=NN=N[N-]3)C(=O)N12	REAL250004675236	0	27	-1.0	-54.08	261.01	4.16	-49.92
CC1=CSC2=NC=C(C(=O)OCC3=N[N-]N=N3)C(=O)N12	REAL250004675236	1	27	-1.0	-54.09	260.96	4.14	-49.95
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL250004675237	0	35	-1.0	-47.10	311.45	6.10	-41.00
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL250004675237	1	35	-1.0	-47.10	311.51	6.11	-40.99
CC1=CC(CCC(=O)OCC2=N[N-]N=N2)=CC(C)=C1	REAL250004675238	0	34	-1.0	-37.56	296.63	6.69	-30.87
CC1=CC(CCC(=O)OCC2=NN=N[N-]2)=CC(C)=C1	REAL250004675238	1	34	-1.0	-37.54	296.69	6.70	-30.84
COCCOC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=N1	REAL250004675239	0	32	-1.0	-38.82	293.17	0.73	-38.09
COCCOC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=N1	REAL250004675239	1	32	-1.0	-38.83	293.11	0.72	-38.11
CCC(C)OC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=N1	REAL250004675240	0	34	-1.0	-36.93	300.45	3.19	-33.74
CCC(C)OC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=N1	REAL250004675240	1	34	-1.0	-36.96	300.39	3.18	-33.78
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C(C)C1CC1	REAL250004675241	0	35	-1.0	-47.22	305.16	5.09	-42.13
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C(C)C1CC1	REAL250004675241	1	35	-1.0	-47.19	305.22	5.11	-42.08
O=C(OCC1=N[N-]N=N1)C1(C2=CC=C(F)C=C2F)CCC1	REAL250004675242	0	32	-1.0	-36.00	278.93	6.18	-29.82
O=C(OCC1=NN=N[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL250004675242	1	32	-1.0	-36.00	278.98	6.19	-29.81
N#CCC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004675243	0	29	-1.0	-40.62	268.95	5.47	-35.15
N#CCC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004675243	1	29	-1.0	-40.61	269.01	5.49	-35.12
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL250004675244	0	30	-1.0	-37.76	273.84	3.39	-34.37
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL250004675244	1	30	-1.0	-37.79	273.89	3.41	-34.38
CCC(C)N1N=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004675245	0	34	-1.0	-46.21	293.75	4.28	-41.93
CCC(C)N1N=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004675245	1	34	-1.0	-46.22	293.80	4.29	-41.93
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)C=C1Cl	REAL250004675246	0	28	-1.0	-36.28	261.72	5.41	-30.87
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)C=C1Cl	REAL250004675246	1	28	-1.0	-36.29	261.78	5.42	-30.87
CCC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL250004675247	0	34	-1.0	-39.96	309.34	6.41	-33.55
CCC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL250004675247	1	34	-1.0	-39.96	309.28	6.39	-33.57
CC1CCC(OCC(=O)OCC2=N[N-]N=N2)CC1	REAL250004675248	0	35	-1.0	-39.10	287.64	4.84	-34.26
CC1CCC(OCC(=O)OCC2=NN=N[N-]2)CC1	REAL250004675248	1	35	-1.0	-39.08	287.70	4.86	-34.22
O=C(NC1CCC(C(=O)OCC2=N[N-]N=N2)CC1)C1CC1	REAL250004675249	0	39	-1.0	-42.91	325.47	4.03	-38.88
O=C(NC1CCC(C(=O)OCC2=NN=N[N-]2)CC1)C1CC1	REAL250004675249	1	39	-1.0	-42.93	325.52	4.04	-38.89
N#CCC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004675250	0	32	-1.0	-43.61	286.84	6.01	-37.60
N#CCC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004675250	1	32	-1.0	-43.61	286.89	6.02	-37.59
CC1=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2N1C	REAL250004675251	0	31	-1.0	-43.38	277.99	4.88	-38.50
CC1=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2N1C	REAL250004675251	1	31	-1.0	-43.38	278.05	4.89	-38.49
CC(C)(C#N)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675252	0	32	-1.0	-41.31	286.82	5.73	-35.58
CC(C)(C#N)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675252	1	32	-1.0	-41.30	286.87	5.75	-35.55
CC(C)(CC(=O)OCC1=N[N-]N=N1)C1CCCCC1	REAL250004675253	0	40	-1.0	-36.10	295.03	5.98	-30.12
CC(C)(CC(=O)OCC1=NN=N[N-]1)C1CCCCC1	REAL250004675253	1	40	-1.0	-36.09	295.08	5.99	-30.10
COC1CCCC(CC(=O)OCC2=N[N-]N=N2)C1	REAL250004675254	0	35	-1.0	-37.27	284.71	3.75	-33.52
COC1CCCC(CC(=O)OCC2=NN=N[N-]2)C1	REAL250004675254	1	35	-1.0	-37.23	284.77	3.77	-33.46
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004675255	0	29	-1.0	-43.54	275.21	5.47	-38.07
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC=C1N1C=CC=N1	REAL250004675255	1	29	-1.0	-43.52	275.16	5.45	-38.07
CN1C=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675256	0	30	-1.0	-42.57	279.04	3.05	-39.52
CN1C=C(C(=O)CCC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675256	1	30	-1.0	-42.56	279.10	3.07	-39.49
COCCOC1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004675257	0	39	-1.0	-42.40	320.57	3.47	-38.93
COCCOC1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004675257	1	39	-1.0	-42.37	320.62	3.48	-38.89
O=C(OCC1=N[N-]N=N1)C(F)CC1CCCCC1	REAL250004675258	0	34	-1.0	-35.70	278.94	5.58	-30.12
O=C(OCC1=NN=N[N-]1)C(F)CC1CCCCC1	REAL250004675258	1	34	-1.0	-35.70	279.01	5.59	-30.11
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CC=C2C)=NO1	REAL250004675259	0	34	-1.0	-41.16	300.88	6.49	-34.67
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CC=C2C)=NO1	REAL250004675259	1	34	-1.0	-41.15	300.94	6.50	-34.65
CC(C(=O)OCC1=N[N-]N=N1)N(C)CC(F)(F)F	REAL250004675260	0	29	-1.0	-38.51	259.16	1.73	-36.78
CC(C(=O)OCC1=NN=N[N-]1)N(C)CC(F)(F)F	REAL250004675260	1	29	-1.0	-38.49	259.22	1.74	-36.75
CC1=CC=C2OC(C(=O)OCC3=N[N-]N=N3)CCC2=C1	REAL250004675261	0	33	-1.0	-38.92	286.30	5.84	-33.08
CC1=CC=C2OC(C(=O)OCC3=NN=N[N-]3)CCC2=C1	REAL250004675261	1	33	-1.0	-38.97	286.36	5.86	-33.11
COC1=C(C(=O)OCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004675262	0	28	-1.0	-40.14	263.27	4.88	-35.26
COC1=C(C(=O)OCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004675262	1	28	-1.0	-40.11	263.33	4.90	-35.21
O=C(OCC1=N[N-]N=N1)C1C2C3CC4C5CC(C2C35)C41	REAL250004675263	0	35	-1.0	-38.34	267.75	6.19	-32.15
O=C(OCC1=NN=N[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL250004675263	1	35	-1.0	-38.33	267.80	6.20	-32.13
CC1=CC=C2C(C(=O)OCC3=N[N-]N=N3)=CSC2=C1	REAL250004675264	0	28	-1.0	-39.88	265.90	5.68	-34.20
CC1=CC=C2C(C(=O)OCC3=NN=N[N-]3)=CSC2=C1	REAL250004675264	1	28	-1.0	-39.89	265.95	5.70	-34.19
O=C(OCC1=NN=N[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL250004675265	0	28	-1.0	-37.84	257.31	5.96	-31.88
O=C(OCC1=N[N-]N=N1)C1=CC=C(F)C2=CC=CC=C12	REAL250004675265	1	28	-1.0	-37.85	257.25	5.94	-31.91
CN1C=C(C(=O)OCC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004675266	0	29	-1.0	-44.42	270.71	5.56	-38.86
CN1C=C(C(=O)OCC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004675266	1	29	-1.0	-44.42	270.76	5.57	-38.85
COC(=O)C1=C(C)C=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004675267	0	28	-1.0	-39.80	267.37	3.35	-36.45
COC(=O)C1=C(C)C=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004675267	1	28	-1.0	-39.79	267.43	3.36	-36.43
COC(=O)C1=CN(CC(=O)OCC2=NN=N[N-]2)N=C1	REAL250004675268	0	28	-1.0	-43.91	269.46	2.68	-41.23
COC(=O)C1=CN(CC(=O)OCC2=N[N-]N=N2)N=C1	REAL250004675268	1	28	-1.0	-43.95	269.40	2.67	-41.28
C[C@@H](CC(=O)OCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL250004675269	0	38	-1.0	-42.47	318.27	2.59	-39.88
C[C@@H](CC(=O)OCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL250004675269	1	38	-1.0	-42.46	318.33	2.60	-39.86
CC1=CC=C(C2=NN(C)C=C2C(=O)OCC2=NN=N[N-]2)O1	REAL250004675270	0	32	-1.0	-44.92	295.23	4.72	-40.20
CC1=CC=C(C2=NN(C)C=C2C(=O)OCC2=N[N-]N=N2)O1	REAL250004675270	1	32	-1.0	-44.90	295.17	4.70	-40.20
O=C(OCC1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL250004675271	0	22	-1.0	-39.72	234.93	3.74	-35.98
O=C(OCC1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250004675271	1	22	-1.0	-39.69	234.98	3.75	-35.94
CC1=NN(C2CCOCC2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675272	0	36	-1.0	-36.47	305.40	3.22	-33.25
CC1=NN(C2CCOCC2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675272	1	36	-1.0	-36.52	305.46	3.23	-33.29
CN1N=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004675273	0	22	-1.0	-39.09	247.87	2.40	-36.69
CN1N=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=C1Cl	REAL250004675273	1	22	-1.0	-39.09	247.82	2.39	-36.70
O=C(OCC1=N[N-]N=N1)C1(C2CCCC2)CCNC1=O	REAL250004675274	0	36	-1.0	-47.26	284.46	2.06	-45.20
O=C(OCC1=NN=N[N-]1)C1(C2CCCC2)CCNC1=O	REAL250004675274	1	36	-1.0	-47.23	284.52	2.07	-45.16
CCOC1=CC=CC(C=CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675275	0	33	-1.0	-39.58	293.51	5.25	-34.33
CCOC1=CC=CC(C=CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675275	1	33	-1.0	-39.57	293.57	5.26	-34.31
COC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675276	0	30	-1.0	-40.05	270.98	4.33	-35.72
COC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675276	1	30	-1.0	-40.01	271.03	4.34	-35.67
CS(=O)(=O)N1CCC[C@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004675277	0	33	-1.0	-44.65	289.00	0.52	-44.13
CS(=O)(=O)N1CCC[C@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004675277	1	33	-1.0	-44.65	289.06	0.54	-44.11
O=C(OCC1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004675278	0	31	-1.0	-47.35	287.96	4.22	-43.13
O=C(OCC1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL250004675278	1	31	-1.0	-47.35	287.90	4.21	-43.14
O=C(OCC1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL250004675279	0	26	-1.0	-42.64	240.08	1.41	-41.23
O=C(OCC1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL250004675279	1	26	-1.0	-42.60	240.13	1.42	-41.18
CS(=O)(=O)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)O1	REAL250004675280	0	29	-1.0	-49.58	288.10	0.84	-48.74
CS(=O)(=O)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)O1	REAL250004675280	1	29	-1.0	-49.60	288.16	0.85	-48.75
O=C(OCC1=NN=N[N-]1)C1=NC=C2C(F)=CC=CN21	REAL250004675281	0	25	-1.0	-46.70	241.34	4.20	-42.50
O=C(OCC1=N[N-]N=N1)C1=NC=C2C(F)=CC=CN21	REAL250004675281	1	25	-1.0	-46.71	241.28	4.18	-42.53
CC(=O)NC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=N1	REAL250004675282	0	28	-1.0	-43.54	262.77	2.39	-41.15
CC(=O)NC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=N1	REAL250004675282	1	28	-1.0	-43.52	262.71	2.38	-41.14
CN1C(=O)COC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004675283	0	31	-1.0	-39.23	277.42	2.75	-36.48
CN1C(=O)COC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004675283	1	31	-1.0	-39.26	277.48	2.77	-36.49
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1F	REAL250004675284	0	25	-1.0	-46.49	247.82	4.70	-41.79
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1F	REAL250004675284	1	25	-1.0	-46.50	247.88	4.71	-41.79
CC1(Br)CC1C(=O)OCC1=N[N-]N=N1	REAL250004675285	0	22	-1.0	-38.72	220.67	3.50	-35.22
CC1(Br)CC1C(=O)OCC1=NN=N[N-]1	REAL250004675285	1	22	-1.0	-38.71	220.73	3.51	-35.20
O=C(OCC1=NN=N[N-]1)C1=CN(CC2CCOC2)N=N1	REAL250004675286	0	32	-1.0	-49.25	284.99	1.11	-48.14
O=C(OCC1=N[N-]N=N1)C1=CN(CC2CCOC2)N=N1	REAL250004675286	1	32	-1.0	-49.27	284.93	1.10	-48.17
CN1N=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004675287	0	28	-1.0	-46.86	259.93	3.80	-43.06
CN1N=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004675287	1	28	-1.0	-46.84	259.88	3.78	-43.06
O=C(OCC1=N[N-]N=N1)C1CCC1C1=CC=C(F)C=C1	REAL250004675288	0	32	-1.0	-38.65	282.56	6.40	-32.25
O=C(OCC1=NN=N[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL250004675288	1	32	-1.0	-38.64	282.61	6.42	-32.22
CSCCCCCCC(=O)OCC1=N[N-]N=N1	REAL250004675289	0	34	-1.0	-38.14	303.13	5.93	-32.21
CSCCCCCCC(=O)OCC1=NN=N[N-]1	REAL250004675289	1	34	-1.0	-38.11	303.19	5.94	-32.17
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CSC=C1	REAL250004675290	0	26	-1.0	-37.72	251.06	4.89	-32.83
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CSC=C1	REAL250004675290	1	26	-1.0	-37.75	251.12	4.90	-32.85
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL250004675291	0	28	-1.0	-36.96	264.63	5.30	-31.66
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL250004675291	1	28	-1.0	-36.97	264.68	5.31	-31.66
CCOC1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675292	0	35	-1.0	-39.11	305.17	5.58	-33.53
CCOC1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675292	1	35	-1.0	-39.11	305.23	5.60	-33.51
CC1(C(=O)OCC2=N[N-]N=N2)COC2=CC=CC=C2O1	REAL250004675293	0	31	-1.0	-40.02	272.82	3.99	-36.03
CC1(C(=O)OCC2=NN=N[N-]2)COC2=CC=CC=C2O1	REAL250004675293	1	31	-1.0	-40.02	272.88	4.01	-36.01
O=C(OCC1=N[N-]N=N1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004675294	0	35	-1.0	-42.70	294.04	5.61	-37.09
O=C(OCC1=NN=N[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL250004675294	1	35	-1.0	-42.65	294.09	5.62	-37.03
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004675295	0	29	-1.0	-40.14	272.27	6.03	-34.11
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250004675295	1	29	-1.0	-40.15	272.33	6.04	-34.11
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=N1	REAL250004675296	0	25	-1.0	-36.59	250.11	0.84	-35.75
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=N1	REAL250004675296	1	25	-1.0	-36.58	250.05	0.82	-35.76
O=C(OCC1=N[N-]N=N1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004675297	0	26	-1.0	-44.59	250.89	-3.38	-47.97
O=C(OCC1=NN=N[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250004675297	1	26	-1.0	-44.63	250.94	-3.36	-47.99
COC(=O)C1=CC=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675298	0	31	-1.0	-46.02	281.05	4.96	-41.06
COC(=O)C1=CC=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675298	1	31	-1.0	-46.03	281.11	4.98	-41.05
O=C(OCC1=NN=N[N-]1)C1=CC=C2SC=NC2=C1	REAL250004675299	0	24	-1.0	-39.45	241.80	3.22	-36.23
O=C(OCC1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL250004675299	1	24	-1.0	-39.42	241.74	3.20	-36.22
CSC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675300	0	32	-1.0	-38.17	294.03	6.39	-31.78
CSC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675300	1	32	-1.0	-38.16	294.08	6.41	-31.75
CC1=NC=C([N+](=O)[O-])N1CC(=O)OCC1=N[N-]N=N1	REAL250004675301	0	27	-1.0	-41.94	259.88	4.87	-37.07
CC1=NC=C([N+](=O)[O-])N1CC(=O)OCC1=NN=N[N-]1	REAL250004675301	1	27	-1.0	-41.96	259.94	4.88	-37.08
CP(C)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675302	0	31	-1.0	-43.52	290.27	3.36	-40.16
CP(C)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675302	1	31	-1.0	-43.53	290.32	3.37	-40.16
CS(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675303	0	27	-1.0	-46.26	267.05	-0.59	-46.85
CS(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675303	1	27	-1.0	-46.23	267.00	-0.60	-46.83
O=C(OCC1=N[N-]N=N1)C1=NN2CCCCC(=O)C2=C1	REAL250004675304	0	31	-1.0	-44.99	276.90	3.05	-41.94
O=C(OCC1=NN=N[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL250004675304	1	31	-1.0	-44.98	276.96	3.06	-41.92
COC1(C(=O)OCC2=N[N-]N=N2)CCCCCC1	REAL250004675305	0	35	-1.0	-37.87	269.47	4.07	-33.80
COC1(C(=O)OCC2=NN=N[N-]2)CCCCCC1	REAL250004675305	1	35	-1.0	-37.82	269.53	4.09	-33.73
CC(=O)NC(C)(C(=O)OCC1=N[N-]N=N1)C(C)C	REAL250004675306	0	34	-1.0	-35.39	272.84	1.66	-33.73
CC(=O)NC(C)(C(=O)OCC1=NN=N[N-]1)C(C)C	REAL250004675306	1	34	-1.0	-35.36	272.90	1.67	-33.69
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1C1CCC1	REAL250004675307	0	32	-1.0	-40.22	269.99	6.15	-34.07
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1C1CCC1	REAL250004675307	1	32	-1.0	-40.18	270.05	6.16	-34.02
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250004675308	0	30	-1.0	-41.91	270.33	6.77	-35.14
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1N1C=CC=C1	REAL250004675308	1	30	-1.0	-41.93	270.27	6.75	-35.18
O=C(OCC1=NN=N[N-]1)C1=CC=NC=C1N1CCOCC1	REAL250004675309	0	34	-1.0	-38.39	291.03	1.98	-36.41
O=C(OCC1=N[N-]N=N1)C1=CC=NC=C1N1CCOCC1	REAL250004675309	1	34	-1.0	-38.41	290.98	1.96	-36.45
CCOC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL250004675310	0	35	-1.0	-50.08	307.79	6.33	-43.75
CCOC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL250004675310	1	35	-1.0	-50.05	307.85	6.34	-43.71
CC(C)(C(=O)OCC1=N[N-]N=N1)C(F)C1=CC=CC=C1	REAL250004675311	0	34	-1.0	-38.68	288.73	6.12	-32.56
CC(C)(C(=O)OCC1=NN=N[N-]1)C(F)C1=CC=CC=C1	REAL250004675311	1	34	-1.0	-38.67	288.79	6.13	-32.54
CCC1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CNC2=N1	REAL250004675312	0	30	-1.0	-53.65	273.09	3.52	-50.13
CCC1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CNC2=N1	REAL250004675312	1	30	-1.0	-53.66	273.14	3.53	-50.13
CCC1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CN=C2N1	REAL250004675312	1	30	-1.0	-45.52	274.06	3.29	-42.23
CCC1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CN=C2N1	REAL250004675312	1	30	-1.0	-45.48	274.11	3.30	-42.18
O=C(OCC1=N[N-]N=N1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004675313	0	34	-1.0	-53.71	303.97	5.12	-48.59
O=C(OCC1=NN=N[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL250004675313	1	34	-1.0	-53.76	304.03	5.14	-48.62
O=C(OCC1=N[N-]N=N1)C1=C2N=C(CC3CC3)NC2=NC=C1	REAL250004675313	1	34	-1.0	-45.75	305.37	4.87	-40.88
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CCN1C=C([C@@H]2OCC[C@H]2C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675322	1	36	-1.0	-39.52	310.96	3.31	-36.21
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CC(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=C(C(C)C)O1	REAL250004675326	0	37	-1.0	-39.07	316.59	6.16	-32.91
CC(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=C(C(C)C)O1	REAL250004675326	1	37	-1.0	-39.07	316.65	6.17	-32.90
CC1=NN(C2=CC=CC=C2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675327	0	32	-1.0	-37.17	287.15	5.54	-31.63
CC1=NN(C2=CC=CC=C2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675327	1	32	-1.0	-37.16	287.21	5.56	-31.60
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004675328	0	27	-1.0	-35.79	254.42	4.96	-30.83
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004675328	1	27	-1.0	-35.82	254.47	4.98	-30.84
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COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1OC	REAL250004675331	1	30	-1.0	-39.25	268.95	3.01	-36.24
CC1=CC(Cl)=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004675332	0	29	-1.0	-37.77	278.13	5.26	-32.51
CC1=CC(Cl)=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004675332	1	29	-1.0	-37.78	278.19	5.28	-32.50
O=C(C=CC1=CC=CC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004675333	0	26	-1.0	-37.99	258.91	5.54	-32.45
O=C(C=CC1=CC=CC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004675333	1	26	-1.0	-37.96	258.97	5.56	-32.40
COC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C(OC)=C1	REAL250004675334	0	34	-1.0	-41.85	299.29	3.71	-38.14
COC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C(OC)=C1	REAL250004675334	1	34	-1.0	-41.84	299.35	3.72	-38.12
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O=C(OCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL250004675336	1	26	-1.0	-36.41	256.23	3.60	-32.81
CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1OCC	REAL250004675337	0	36	-1.0	-38.86	312.61	4.83	-34.03
CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1OCC	REAL250004675337	1	36	-1.0	-38.85	312.66	4.85	-34.00
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004675338	0	28	-1.0	-39.64	265.67	4.52	-35.12
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004675338	1	28	-1.0	-39.66	265.73	4.54	-35.12
CC1=C(C(=O)OCC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL250004675339	0	27	-1.0	-37.19	248.53	4.81	-32.38
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL250004675339	1	27	-1.0	-37.20	248.59	4.83	-32.37
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)OCC1=N[N-]N=N1	REAL250004675340	0	28	-1.0	-41.09	270.37	5.70	-35.39
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O=C(CSC1=CC=NC=C1)OCC1=NN=N[N-]1	REAL250004675342	1	25	-1.0	-38.06	246.12	3.25	-34.81
O=C(COC1=CC2=CC=CC=C2C=C1)OCC1=N[N-]N=N1	REAL250004675343	0	32	-1.0	-40.70	287.34	6.30	-34.40
O=C(COC1=CC2=CC=CC=C2C=C1)OCC1=NN=N[N-]1	REAL250004675343	1	32	-1.0	-40.65	287.40	6.32	-34.33
O=C(CCSC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004675344	0	29	-1.0	-37.55	272.61	5.82	-31.73
O=C(CCSC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004675344	1	29	-1.0	-37.56	272.66	5.84	-31.72
COC1=CC=C(OCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675345	0	33	-1.0	-38.22	291.78	3.47	-34.75
COC1=CC=C(OCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675345	1	33	-1.0	-38.22	291.84	3.49	-34.73
N#CC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675346	0	27	-1.0	-40.20	262.15	4.45	-35.75
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CC1=CC(OCC(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004675348	0	29	-1.0	-37.93	276.78	5.15	-32.78
CC1=CC(OCC(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004675348	1	29	-1.0	-37.94	276.84	5.16	-32.78
CCC1=CC=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004675349	0	32	-1.0	-39.15	283.03	5.49	-33.66
CCC1=CC=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004675349	1	32	-1.0	-39.17	283.08	5.51	-33.66
O=C(CN1C(=O)C2CCCCC2C1=O)OCC1=N[N-]N=N1	REAL250004675350	0	35	-1.0	-43.11	300.36	3.84	-39.27
O=C(CN1C(=O)C2CCCCC2C1=O)OCC1=NN=N[N-]1	REAL250004675350	1	35	-1.0	-43.12	300.41	3.86	-39.26
CN1N=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL250004675351	0	30	-1.0	-40.48	272.81	3.07	-37.41
CN1N=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL250004675351	1	30	-1.0	-40.49	272.87	3.09	-37.40
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CC(=O)NC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1C	REAL250004675353	0	32	-1.0	-49.42	285.13	3.56	-45.86
CC(=O)NC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1C	REAL250004675353	1	32	-1.0	-49.40	285.18	3.57	-45.83
CN(CC(=O)OCC1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL250004675354	0	29	-1.0	-45.88	273.36	3.29	-42.59
CN(CC(=O)OCC1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL250004675354	1	29	-1.0	-45.87	273.42	3.30	-42.57
COCCN1CC(C(=O)OCC2=N[N-]N=N2)CC1=O	REAL250004675355	0	33	-1.0	-40.47	290.15	1.56	-38.91
COCCN1CC(C(=O)OCC2=NN=N[N-]2)CC1=O	REAL250004675355	1	33	-1.0	-40.45	290.21	1.57	-38.88
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O=C(OCC1=NN=N[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL250004675356	1	39	-1.0	-40.01	313.92	4.92	-35.09
CC(C)(C)N1CC(C(=O)OCC2=N[N-]N=N2)CC1=O	REAL250004675357	0	35	-1.0	-39.26	288.87	3.56	-35.70
CC(C)(C)N1CC(C(=O)OCC2=NN=N[N-]2)CC1=O	REAL250004675357	1	35	-1.0	-39.25	288.93	3.57	-35.68
CC(C)CN1CC(C(=O)OCC2=N[N-]N=N2)CC1=O	REAL250004675358	0	35	-1.0	-39.89	293.47	3.80	-36.09
CC(C)CN1CC(C(=O)OCC2=NN=N[N-]2)CC1=O	REAL250004675358	1	35	-1.0	-39.88	293.52	3.81	-36.07
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O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL250004675360	0	36	-1.0	-38.37	304.78	5.99	-32.38
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL250004675360	1	36	-1.0	-38.35	304.84	6.01	-32.34
CCCOC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675361	0	32	-1.0	-39.42	283.11	4.81	-34.61
CCCOC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675361	1	32	-1.0	-39.43	283.17	4.82	-34.61
NC(=O)COC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675362	0	30	-1.0	-50.36	278.34	1.19	-49.17
NC(=O)COC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675362	1	30	-1.0	-50.35	278.40	1.21	-49.14
CC(SC1=NN=CN1C)C(=O)OCC1=NN=N[N-]1	REAL250004675363	0	28	-1.0	-43.07	266.93	5.03	-38.04
CC(SC1=NN=CN1C)C(=O)OCC1=N[N-]N=N1	REAL250004675363	1	28	-1.0	-43.04	266.87	5.02	-38.02
CC(SCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675364	0	32	-1.0	-39.12	295.38	6.55	-32.57
CC(SCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675364	1	32	-1.0	-39.12	295.44	6.57	-32.55
CC(C)C1=CC=C(SCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675365	0	35	-1.0	-37.38	311.12	6.93	-30.45
CC(C)C1=CC=C(SCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675365	1	35	-1.0	-37.40	311.18	6.94	-30.46
CCC(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675366	0	32	-1.0	-49.32	286.67	3.50	-45.82
CCC(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675366	1	32	-1.0	-49.31	286.73	3.51	-45.80
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O=C(CC1CCCCC1)NCC(=O)OCC1=NN=N[N-]1	REAL250004675367	1	38	-1.0	-38.50	311.28	3.32	-35.18
CC(C)OC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004675368	0	35	-1.0	-40.72	300.53	5.47	-35.25
CC(C)OC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004675368	1	35	-1.0	-40.71	300.59	5.48	-35.23
CC1=NN(C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)C=C1	REAL250004675369	0	32	-1.0	-45.65	290.60	5.56	-40.09
CC1=NN(C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)C=C1	REAL250004675369	1	32	-1.0	-45.63	290.65	5.58	-40.05
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CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004675392	1	28	-1.0	-39.53	262.25	5.19	-34.34
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CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004675395	1	28	-1.0	-36.34	260.99	5.16	-31.18
CC(C)=CCOC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675396	0	36	-1.0	-39.84	314.00	6.04	-33.80
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CCN1N=C(C)C(C(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004675398	1	28	-1.0	-39.32	274.23	3.45	-35.87
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004675399	0	26	-1.0	-36.61	245.97	3.13	-33.48
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004675399	1	26	-1.0	-36.58	246.03	3.14	-33.44
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CCOCCC1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004675404	0	38	-1.0	-38.77	303.45	4.62	-34.15
CCOCCC1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004675404	1	38	-1.0	-38.76	303.50	4.63	-34.13
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CC1=NN(CC(F)(F)F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004675406	0	28	-1.0	-40.44	272.12	3.46	-36.98
CC1=NN(CC(F)(F)F)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004675406	1	28	-1.0	-40.44	272.18	3.48	-36.96
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CC1=CC=C(OCCCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004675408	0	38	-1.0	-39.87	325.26	6.37	-33.50
CC1=CC=C(OCCCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004675408	1	38	-1.0	-39.83	325.32	6.39	-33.44
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CC(C)(C)C1CCC(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004675411	0	43	-1.0	-36.76	314.04	6.53	-30.23
CC(C)(C)C1CCC(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004675411	1	43	-1.0	-36.71	314.08	6.54	-30.17
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CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675415	0	33	-1.0	-37.88	296.15	5.61	-32.27
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675415	1	33	-1.0	-37.88	296.09	5.59	-32.29
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CC(C)(OC1=CC=C(C#N)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675417	0	33	-1.0	-38.56	290.98	5.31	-33.25
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CC(C)OC1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675419	0	31	-1.0	-37.16	274.75	2.87	-34.29
CC(C)OC1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675419	1	31	-1.0	-37.15	274.70	2.85	-34.30
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CC(=O)NC1=CC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675420	1	29	-1.0	-52.35	278.96	3.08	-49.27
CC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004675421	0	29	-1.0	-44.78	279.05	3.07	-41.71
CC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004675421	1	29	-1.0	-44.77	279.11	3.08	-41.69
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CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N1CC1CC1	REAL250004675424	0	36	-1.0	-44.21	307.82	6.75	-37.46
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N1CC1CC1	REAL250004675424	1	36	-1.0	-44.20	307.88	6.77	-37.43
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CCOC1=CC(Cl)=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675426	0	29	-1.0	-39.51	276.18	5.27	-34.24
CCOC1=CC(Cl)=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675426	1	29	-1.0	-39.52	276.23	5.28	-34.24
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CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2CCCCC2)=NO1	REAL250004675484	1	37	-1.0	-37.65	315.06	5.97	-31.68
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2CCCC2)=NO1	REAL250004675485	0	34	-1.0	-37.59	296.95	5.33	-32.26
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2CCCC2)=NO1	REAL250004675485	1	34	-1.0	-37.56	297.01	5.35	-32.21
CN1C=C(C2(C(=O)OCC3=NN=N[N-]3)CCCO2)C=N1	REAL250004675486	0	33	-1.0	-41.78	286.71	2.71	-39.07
CN1C=C(C2(C(=O)OCC3=N[N-]N=N3)CCCO2)C=N1	REAL250004675486	1	33	-1.0	-41.77	286.65	2.70	-39.07
O=C(OCC1=NN=N[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL250004675487	0	36	-1.0	-42.38	311.20	3.56	-38.82
O=C(OCC1=N[N-]N=N1)C1=CN(CC2CCCCO2)N=C1	REAL250004675487	1	36	-1.0	-42.41	311.14	3.55	-38.86
O=C(OCC1=N[N-]N=N1)C1=CSC2=C1CCCCCC2	REAL250004675488	0	35	-1.0	-39.22	286.03	6.10	-33.12
O=C(OCC1=NN=N[N-]1)C1=CSC2=C1CCCCCC2	REAL250004675488	1	35	-1.0	-39.24	286.09	6.12	-33.12
CC1(C)CCC2=C(C1)SC=C2C(=O)OCC1=N[N-]N=N1	REAL250004675489	0	35	-1.0	-38.98	296.73	6.18	-32.80
CC1(C)CCC2=C(C1)SC=C2C(=O)OCC1=NN=N[N-]1	REAL250004675489	1	35	-1.0	-38.97	296.78	6.20	-32.77
CC1=CC2=CC=NC=C2C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675490	0	30	-1.0	-41.85	268.14	4.77	-37.08
CC1=CC2=CC=NC=C2C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675490	1	30	-1.0	-41.88	268.08	4.76	-37.12
CC(C)(C)OCCOCCC(=O)OCC1=N[N-]N=N1	REAL250004675491	0	38	-1.0	-38.56	317.71	2.99	-35.57
CC(C)(C)OCCOCCC(=O)OCC1=NN=N[N-]1	REAL250004675491	1	38	-1.0	-38.56	317.77	3.00	-35.56
CC1(OCC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004675492	0	33	-1.0	-39.00	272.17	2.16	-36.84
CC1(OCC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004675492	1	33	-1.0	-39.00	272.23	2.18	-36.82
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=CC=C2)=CO1	REAL250004675493	0	32	-1.0	-43.71	296.29	6.34	-37.37
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=CC=C2)=CO1	REAL250004675493	1	32	-1.0	-43.69	296.35	6.36	-37.33
O=C(CC1=CC=C2OC(=O)NC2=C1)OCC1=N[N-]N=N1	REAL250004675494	0	28	-1.0	-42.05	264.20	2.07	-39.98
O=C(CC1=CC=C2OC(=O)NC2=C1)OCC1=NN=N[N-]1	REAL250004675494	1	28	-1.0	-42.04	264.26	2.08	-39.96
COC(=O)C1=CC(CCC(=O)OCC2=N[N-]N=N2)=CN1	REAL250004675495	0	32	-1.0	-43.26	295.47	3.78	-39.48
COC(=O)C1=CC(CCC(=O)OCC2=NN=N[N-]2)=CN1	REAL250004675495	1	32	-1.0	-43.23	295.53	3.79	-39.44
O=C(OCC1=NN=N[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004675496	0	28	-1.0	-45.75	269.86	2.07	-43.68
O=C(OCC1=N[N-]N=N1)C1=C(C2=CC=CC=C2F)OC=N1	REAL250004675496	1	28	-1.0	-45.75	269.80	2.06	-43.69
O=C(OCC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250004675497	0	25	-1.0	-50.44	253.35	2.97	-47.47
O=C(OCC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1	REAL250004675497	1	25	-1.0	-50.42	253.29	2.96	-47.46
CC(C)(C)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675498	0	33	-1.0	-46.02	285.34	4.58	-41.44
CC(C)(C)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675498	1	33	-1.0	-46.03	285.29	4.56	-41.47
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004675499	0	27	-1.0	-44.28	261.59	5.61	-38.67
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=NC=N2)=N1	REAL250004675499	1	27	-1.0	-44.25	261.53	5.60	-38.65
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL250004675500	0	36	-1.0	-43.20	316.10	7.71	-35.49
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL250004675500	1	36	-1.0	-43.17	316.16	7.73	-35.44
CC1=CC=C(SCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675501	0	32	-1.0	-37.59	294.01	6.50	-31.09
CC1=CC=C(SCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675501	1	32	-1.0	-37.59	294.07	6.52	-31.07
CCCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675502	0	35	-1.0	-37.86	304.54	5.60	-32.26
CCCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675502	1	35	-1.0	-37.85	304.60	5.62	-32.23
COC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675503	0	30	-1.0	-39.46	270.82	3.32	-36.14
COC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675503	1	30	-1.0	-39.49	270.88	3.34	-36.15
O=C(CCC1=NC2=CC=CC=C2S1)OCC1=N[N-]N=N1	REAL250004675504	0	30	-1.0	-40.77	285.48	4.79	-35.98
O=C(CCC1=NC2=CC=CC=C2S1)OCC1=NN=N[N-]1	REAL250004675504	1	30	-1.0	-40.76	285.53	4.81	-35.95
COC1=CC=CC=C1OCC(=O)OCC1=N[N-]N=N1	REAL250004675505	0	30	-1.0	-42.89	270.58	3.79	-39.10
COC1=CC=CC=C1OCC(=O)OCC1=NN=N[N-]1	REAL250004675505	1	30	-1.0	-42.85	270.63	3.81	-39.04
CC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004675506	0	32	-1.0	-39.41	279.73	5.25	-34.16
CC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004675506	1	32	-1.0	-39.43	279.78	5.27	-34.16
CC1=CC=C(C(C)C)C(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675507	0	38	-1.0	-39.32	321.35	6.68	-32.64
CC1=CC=C(C(C)C)C(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675507	1	38	-1.0	-39.30	321.41	6.69	-32.61
CC1=CC=C(OCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675508	0	32	-1.0	-37.76	283.69	4.87	-32.89
CC1=CC=C(OCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675508	1	32	-1.0	-37.74	283.75	4.88	-32.86
O=C(CCSC1=CC=C(Cl)C=C1)OCC1=N[N-]N=N1	REAL250004675509	0	29	-1.0	-36.49	289.33	6.35	-30.14
O=C(CCSC1=CC=C(Cl)C=C1)OCC1=NN=N[N-]1	REAL250004675509	1	29	-1.0	-36.51	289.39	6.36	-30.15
CCC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675510	0	32	-1.0	-38.77	284.22	5.48	-33.29
CCC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675510	1	32	-1.0	-38.80	284.27	5.50	-33.30
CNS(=O)(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675511	0	30	-1.0	-43.51	286.86	-0.06	-43.57
CNS(=O)(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675511	1	30	-1.0	-43.55	286.92	-0.04	-43.59
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCCC2)S1	REAL250004675512	0	32	-1.0	-39.26	282.32	6.05	-33.21
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCCC2)S1	REAL250004675512	1	32	-1.0	-39.25	282.38	6.07	-33.18
O=C(CCC1=CNC2=CC=CC=C12)OCC1=N[N-]N=N1	REAL250004675513	0	32	-1.0	-40.75	285.72	5.42	-35.33
O=C(CCC1=CNC2=CC=CC=C12)OCC1=NN=N[N-]1	REAL250004675513	1	32	-1.0	-40.75	285.78	5.44	-35.31
CC1CCC2=C(C1)SC=C2C(=O)OCC1=N[N-]N=N1	REAL250004675514	0	32	-1.0	-38.90	281.89	5.87	-33.03
CC1CCC2=C(C1)SC=C2C(=O)OCC1=NN=N[N-]1	REAL250004675514	1	32	-1.0	-38.89	281.95	5.88	-33.01
CC1=NN(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)C(C)=C1	REAL250004675515	0	35	-1.0	-39.94	309.43	5.96	-33.98
CC1=NN(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)C(C)=C1	REAL250004675515	1	35	-1.0	-39.90	309.48	5.97	-33.93
CC(C)C(NC(=O)C1=CC=CO1)C(=O)OCC1=N[N-]N=N1	REAL250004675516	0	35	-1.0	-38.72	300.11	2.42	-36.30
CC(C)C(NC(=O)C1=CC=CO1)C(=O)OCC1=NN=N[N-]1	REAL250004675516	1	35	-1.0	-38.72	300.17	2.43	-36.29
CC(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL250004675517	0	34	-1.0	-36.75	300.85	6.81	-29.94
CC(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004675517	1	34	-1.0	-36.74	300.91	6.83	-29.91
CC1=CC=CC(OCCCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675518	0	35	-1.0	-40.06	305.19	5.63	-34.43
CC1=CC=CC(OCCCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675518	1	35	-1.0	-40.05	305.25	5.64	-34.41
CC(C)CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675519	0	38	-1.0	-37.74	322.10	6.12	-31.62
CC(C)CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675519	1	38	-1.0	-37.75	322.16	6.14	-31.61
O=C(OCC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL250004675520	0	19	-1.0	-36.48	222.78	3.56	-32.92
O=C(OCC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL250004675520	1	19	-1.0	-36.46	222.83	3.57	-32.89
CCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675521	0	32	-1.0	-37.90	283.04	4.82	-33.08
CCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675521	1	32	-1.0	-37.92	283.10	4.83	-33.09
CC1=CC=C(C)C(C(=O)CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675522	0	36	-1.0	-39.54	311.36	6.53	-33.01
CC1=CC=C(C)C(C(=O)CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675522	1	36	-1.0	-39.52	311.42	6.55	-32.97
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC1=N[N-]N=N1	REAL250004675523	0	39	-1.0	-45.86	321.73	4.34	-41.52
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC1=NN=N[N-]1	REAL250004675523	1	39	-1.0	-45.89	321.79	4.35	-41.54
O=C(CCCC1CCCCC1)OCC1=N[N-]N=N1	REAL250004675524	0	37	-1.0	-36.83	296.09	6.31	-30.52
O=C(CCCC1CCCCC1)OCC1=NN=N[N-]1	REAL250004675524	1	37	-1.0	-36.83	296.14	6.33	-30.50
CCC(OC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675525	0	32	-1.0	-38.37	274.50	5.22	-33.15
CCC(OC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675525	1	32	-1.0	-38.36	274.56	5.24	-33.12
CC1=CC=C(OCCC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004675526	0	35	-1.0	-37.87	303.76	5.61	-32.26
CC1=CC=C(OCCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004675526	1	35	-1.0	-37.85	303.82	5.62	-32.23
CC1=CC(OCCC(=O)OCC2=N[N-]N=N2)=CC(C)=C1	REAL250004675527	0	35	-1.0	-37.97	305.10	5.52	-32.45
CC1=CC(OCCC(=O)OCC2=NN=N[N-]2)=CC(C)=C1	REAL250004675527	1	35	-1.0	-38.00	305.16	5.54	-32.46
CC1=CC=CC(C)=C1OCCC(=O)OCC1=N[N-]N=N1	REAL250004675528	0	35	-1.0	-38.12	304.09	5.73	-32.39
CC1=CC=CC(C)=C1OCCC(=O)OCC1=NN=N[N-]1	REAL250004675528	1	35	-1.0	-38.12	304.15	5.75	-32.37
O=C(CCCN1C(=O)CCC1=O)OCC1=N[N-]N=N1	REAL250004675529	0	31	-1.0	-46.25	280.65	2.82	-43.43
O=C(CCCN1C(=O)CCC1=O)OCC1=NN=N[N-]1	REAL250004675529	1	31	-1.0	-46.24	280.71	2.83	-43.41
O=C(CC1=CC=C(N2C=CC=C2)C=C1)OCC1=N[N-]N=N1	REAL250004675530	0	33	-1.0	-39.73	293.30	7.35	-32.38
O=C(CC1=CC=C(N2C=CC=C2)C=C1)OCC1=NN=N[N-]1	REAL250004675530	1	33	-1.0	-39.75	293.36	7.36	-32.39
O=C(OCC1=N[N-]N=N1)C1=COC(Br)=C1	REAL250004675531	0	19	-1.0	-35.69	214.63	2.54	-33.15
O=C(OCC1=NN=N[N-]1)C1=COC(Br)=C1	REAL250004675531	1	19	-1.0	-35.71	214.68	2.56	-33.15
CC(C)CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1	REAL250004675532	0	31	-1.0	-42.87	272.93	2.81	-40.06
CC(C)CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1	REAL250004675532	1	31	-1.0	-42.87	272.99	2.82	-40.05
CCC1=CC(OCC(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004675533	0	32	-1.0	-37.87	296.81	5.84	-32.03
CCC1=CC(OCC(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004675533	1	32	-1.0	-37.86	296.87	5.86	-32.00
CC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL250004675534	0	30	-1.0	-40.75	274.07	4.70	-36.05
CC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL250004675534	1	30	-1.0	-40.77	274.02	4.68	-36.09
CC1=CC(OC(C)C(=O)OCC2=N[N-]N=N2)=CC=C1Cl	REAL250004675535	0	32	-1.0	-37.07	294.69	5.74	-31.33
CC1=CC(OC(C)C(=O)OCC2=NN=N[N-]2)=CC=C1Cl	REAL250004675535	1	32	-1.0	-37.07	294.75	5.76	-31.31
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL250004675536	0	35	-1.0	-42.27	311.38	5.84	-36.43
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL250004675536	1	35	-1.0	-42.28	311.44	5.86	-36.42
CC(OC1=CC=C2CCCC2=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675537	0	36	-1.0	-38.60	304.75	6.55	-32.05
CC(OC1=CC=C2CCCC2=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675537	1	36	-1.0	-38.60	304.80	6.56	-32.04
CC1=CC=C(Cl)C(OC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675538	0	32	-1.0	-39.80	296.69	5.85	-33.95
CC1=CC=C(Cl)C(OC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675538	1	32	-1.0	-39.78	296.75	5.87	-33.91
O=C(COC1=CC=C(F)C(Cl)=C1)OCC1=N[N-]N=N1	REAL250004675539	0	26	-1.0	-38.07	263.92	4.60	-33.47
O=C(COC1=CC=C(F)C(Cl)=C1)OCC1=NN=N[N-]1	REAL250004675539	1	26	-1.0	-38.00	263.98	4.61	-33.39
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004675540	0	28	-1.0	-37.04	265.73	4.53	-32.51
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004675540	1	28	-1.0	-37.05	265.78	4.54	-32.51
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OCC1CC1	REAL250004675541	0	33	-1.0	-44.12	291.14	6.33	-37.79
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OCC1CC1	REAL250004675541	1	33	-1.0	-44.12	291.20	6.34	-37.78
CC1=CC=CC(N2C=C(C(=O)OCC3=NN=N[N-]3)N=N2)=C1	REAL250004675542	0	31	-1.0	-45.62	287.26	4.19	-41.43
CC1=CC=CC(N2C=C(C(=O)OCC3=N[N-]N=N3)N=N2)=C1	REAL250004675542	1	31	-1.0	-45.61	287.21	4.18	-41.43
CC(CC(=O)OCC1=N[N-]N=N1)C1CCCCC1	REAL250004675543	0	37	-1.0	-36.48	287.10	5.86	-30.62
CC(CC(=O)OCC1=NN=N[N-]1)C1CCCCC1	REAL250004675543	1	37	-1.0	-36.48	287.17	5.87	-30.61
COC1=CC=CC2=C1OCC(C(=O)OCC1=N[N-]N=N1)=C2	REAL250004675544	0	32	-1.0	-43.70	284.23	4.13	-39.57
COC1=CC=CC2=C1OCC(C(=O)OCC1=NN=N[N-]1)=C2	REAL250004675544	1	32	-1.0	-43.70	284.29	4.14	-39.56
COC1=CC=C(C2(C(=O)OCC3=N[N-]N=N3)CCC2)C=C1	REAL250004675545	0	36	-1.0	-42.98	299.73	5.48	-37.50
COC1=CC=C(C2(C(=O)OCC3=NN=N[N-]3)CCC2)C=C1	REAL250004675545	1	36	-1.0	-42.98	299.78	5.50	-37.48
O=C(CC1=CC=CC(Br)=C1)OCC1=N[N-]N=N1	REAL250004675546	0	25	-1.0	-38.10	253.71	5.18	-32.92
O=C(CC1=CC=CC(Br)=C1)OCC1=NN=N[N-]1	REAL250004675546	1	25	-1.0	-38.08	253.76	5.19	-32.89
CC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675547	0	27	-1.0	-35.45	254.50	4.98	-30.47
CC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675547	1	27	-1.0	-35.47	254.56	5.00	-30.47
COCCCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675548	0	35	-1.0	-37.99	314.46	1.32	-36.67
COCCCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675548	1	35	-1.0	-37.99	314.41	1.30	-36.69
CCC(C)C(=O)N1CCCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004675549	0	41	-1.0	-43.35	327.64	4.83	-38.52
CCC(C)C(=O)N1CCCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004675549	1	41	-1.0	-43.35	327.70	4.85	-38.50
O=C(OCC1=N[N-]N=N1)C1=CC=CN1CC1=CC=NC=C1	REAL250004675550	0	32	-1.0	-38.43	289.98	5.02	-33.41
O=C(OCC1=NN=N[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL250004675550	1	32	-1.0	-38.41	290.04	5.03	-33.38
O=C(CCNC(=O)C1CCCCC1)OCC1=N[N-]N=N1	REAL250004675551	0	38	-1.0	-43.23	314.68	3.28	-39.95
O=C(CCNC(=O)C1CCCCC1)OCC1=NN=N[N-]1	REAL250004675551	1	38	-1.0	-43.21	314.74	3.29	-39.92
CC1=CC=C2C(CC(=O)OCC3=N[N-]N=N3)=CNC2=C1	REAL250004675552	0	32	-1.0	-42.35	285.70	5.28	-37.07
CC1=CC=C2C(CC(=O)OCC3=NN=N[N-]3)=CNC2=C1	REAL250004675552	1	32	-1.0	-42.36	285.75	5.29	-37.07
CC1=CC=CC(C2=CN=CC(C(=O)OCC3=NN=N[N-]3)=C2)=C1	REAL250004675553	0	34	-1.0	-38.76	301.10	6.09	-32.67
CC1=CC=CC(C2=CN=CC(C(=O)OCC3=N[N-]N=N3)=C2)=C1	REAL250004675553	1	34	-1.0	-38.71	301.04	6.08	-32.63
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004675554	0	28	-1.0	-37.73	269.56	4.47	-33.26
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004675554	1	28	-1.0	-37.73	269.62	4.48	-33.25
CC1(C)C(=O)NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C21	REAL250004675555	0	33	-1.0	-38.60	293.54	3.28	-35.32
CC1(C)C(=O)NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C21	REAL250004675555	1	33	-1.0	-38.58	293.60	3.29	-35.29
CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004675556	0	38	-1.0	-36.22	311.14	2.07	-34.15
CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004675556	1	38	-1.0	-36.23	311.20	2.09	-34.14
CCC(CC)N1C=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675557	0	34	-1.0	-45.63	291.18	4.33	-41.30
CCC(CC)N1C=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675557	1	34	-1.0	-45.63	291.12	4.31	-41.32
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004675558	0	25	-1.0	-40.02	249.52	2.77	-37.25
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004675558	1	25	-1.0	-40.03	249.58	2.78	-37.25
O=C(OCC1=NN=N[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL250004675559	0	28	-1.0	-43.05	269.74	2.53	-40.52
O=C(OCC1=N[N-]N=N1)C1=CN=CC(OCC(F)F)=C1	REAL250004675559	1	28	-1.0	-43.07	269.68	2.51	-40.56
CCC(CC)N1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675560	0	34	-1.0	-36.51	289.59	4.68	-31.83
CCC(CC)N1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675560	1	34	-1.0	-36.49	289.53	4.66	-31.83
CN1C=C([N+](=O)[O-])C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675561	0	24	-1.0	-49.48	237.87	2.64	-46.84
CN1C=C([N+](=O)[O-])C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675561	1	24	-1.0	-49.48	237.81	2.63	-46.85
COC(=O)C1=CN=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675562	0	26	-1.0	-39.10	256.68	0.75	-38.35
COC(=O)C1=CN=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675562	1	26	-1.0	-39.12	256.63	0.74	-38.38
O=C(OCC1=N[N-]N=N1)C1=C2CCCC2=NC2=CC=CC=C21	REAL250004675563	0	34	-1.0	-42.75	296.96	6.01	-36.74
O=C(OCC1=NN=N[N-]1)C1=C2CCCC2=NC2=CC=CC=C21	REAL250004675563	1	34	-1.0	-42.75	297.02	6.02	-36.73
CCCN(CC)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675564	0	38	-1.0	-40.84	323.94	6.27	-34.57
CCCN(CC)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675564	1	38	-1.0	-40.84	323.88	6.26	-34.58
CCN(CC)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004675565	0	39	-1.0	-37.71	311.34	4.72	-32.99
CCN(CC)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004675565	1	39	-1.0	-37.71	311.40	4.74	-32.97
O=C(OCC1=N[N-]N=N1)C1=CC=CN2C(=O)NN=C12	REAL250004675566	0	25	-1.0	-48.96	241.93	2.21	-46.75
O=C(OCC1=NN=N[N-]1)C1=CC=CN2C(=O)NN=C12	REAL250004675566	1	25	-1.0	-48.96	241.99	2.22	-46.74
CCCC1CC(C(=O)OCC2=N[N-]N=N2)CCO1	REAL250004675567	0	35	-1.0	-36.64	282.20	3.80	-32.84
CCCC1CC(C(=O)OCC2=NN=N[N-]2)CCO1	REAL250004675567	1	35	-1.0	-36.63	282.25	3.82	-32.81
CN1C=NC(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)=N1	REAL250004675568	0	31	-1.0	-44.40	288.40	5.90	-38.50
CN1C=NC(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)=N1	REAL250004675568	1	31	-1.0	-44.39	288.34	5.88	-38.51
O=C(OCC1=N[N-]N=N1)C1=CC(=O)NC(Cl)=C1	REAL250004675569	0	22	-1.0	-36.33	232.02	1.10	-35.23
O=C(OCC1=NN=N[N-]1)C1=CC(=O)NC(Cl)=C1	REAL250004675569	1	22	-1.0	-36.33	232.08	1.12	-35.21
COC(=O)C1=NOC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675570	0	24	-1.0	-36.70	244.08	1.91	-34.79
COC(=O)C1=NOC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675570	1	24	-1.0	-36.68	244.03	1.90	-34.78
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1CCCCC1	REAL250004675571	0	38	-1.0	-41.02	314.18	5.45	-35.57
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1CCCCC1	REAL250004675571	1	38	-1.0	-41.00	314.24	5.46	-35.54
CC1=CC(Cl)=C(C(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004675572	0	28	-1.0	-39.79	261.86	5.38	-34.41
CC1=CC(Cl)=C(C(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004675572	1	28	-1.0	-39.79	261.92	5.40	-34.39
CC(C)(C)OC(=O)NCCCCC(=O)OCC1=N[N-]N=N1	REAL250004675573	0	41	-1.0	-42.33	341.91	2.90	-39.43
CC(C)(C)OC(=O)NCCCCC(=O)OCC1=NN=N[N-]1	REAL250004675573	1	41	-1.0	-42.33	341.97	2.91	-39.42
CC(C)CN1C=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675574	0	31	-1.0	-41.17	277.47	4.02	-37.15
CC(C)CN1C=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675574	1	31	-1.0	-41.16	277.41	4.00	-37.16
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004675575	0	32	-1.0	-41.78	296.46	4.93	-36.85
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL250004675575	1	32	-1.0	-41.80	296.40	4.91	-36.89
O=C(OCC1=NN=N[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004675576	0	32	-1.0	-39.66	291.89	5.47	-34.19
O=C(OCC1=N[N-]N=N1)C1=CC=NC=C1OC1=CC=CC=C1	REAL250004675576	1	32	-1.0	-39.71	291.83	5.46	-34.25
O=C(OCC1=NN=N[N-]1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004675577	0	32	-1.0	-47.80	292.66	5.49	-42.31
O=C(OCC1=N[N-]N=N1)C1=NC=CC=C1OC1=CC=CC=C1	REAL250004675577	1	32	-1.0	-47.81	292.61	5.47	-42.34
COC1=CC=C2OC=C(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004675578	0	29	-1.0	-42.75	267.78	3.42	-39.33
COC1=CC=C2OC=C(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004675578	1	29	-1.0	-42.74	267.84	3.43	-39.31
CCN1N=CC2=CC(C(=O)OCC3=N[N-]N=N3)=C(C)N=C21	REAL250004675579	0	33	-1.0	-37.90	292.79	4.31	-33.59
CCN1N=CC2=CC(C(=O)OCC3=NN=N[N-]3)=C(C)N=C21	REAL250004675579	1	33	-1.0	-37.89	292.85	4.32	-33.57
O=C(OCC1=N[N-]N=N1)C12C3C(=O)C4C1C1CC4C3C12	REAL250004675580	0	31	-1.0	-42.82	262.22	5.00	-37.82
O=C(OCC1=NN=N[N-]1)C12C3C(=O)C4C1C1CC4C3C12	REAL250004675580	1	31	-1.0	-42.83	262.28	5.01	-37.82
CCOC(=O)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675581	0	32	-1.0	-38.89	298.51	5.72	-33.17
CCOC(=O)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675581	1	32	-1.0	-38.87	298.57	5.73	-33.14
CC(C)(COCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675582	0	38	-1.0	-37.15	326.48	5.99	-31.16
CC(C)(COCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675582	1	38	-1.0	-37.13	326.54	6.01	-31.12
O=C(OCC1=N[N-]N=N1)C1(C(F)F)CCCCC1	REAL250004675583	0	31	-1.0	-43.93	257.68	4.66	-39.27
O=C(OCC1=NN=N[N-]1)C1(C(F)F)CCCCC1	REAL250004675583	1	31	-1.0	-43.95	257.74	4.68	-39.27
CC(C)(C)C1=CN=C(CCC(=O)OCC2=N[N-]N=N2)O1	REAL250004675584	0	36	-1.0	-39.23	312.30	2.82	-36.41
CC(C)(C)C1=CN=C(CCC(=O)OCC2=NN=N[N-]2)O1	REAL250004675584	1	36	-1.0	-39.24	312.36	2.84	-36.40
O=C(OCC1=N[N-]N=N1)C1=COC(C2CCOCC2)=N1	REAL250004675585	0	32	-1.0	-42.69	284.26	-0.02	-42.71
O=C(OCC1=NN=N[N-]1)C1=COC(C2CCOCC2)=N1	REAL250004675585	1	32	-1.0	-42.72	284.31	-0.01	-42.73
O=C(OCC1=NN=N[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL250004675586	0	27	-1.0	-38.00	262.85	4.62	-33.38
O=C(OCC1=N[N-]N=N1)C1=CC=C(Cl)C2=NC=CC=C12	REAL250004675586	1	27	-1.0	-38.02	262.80	4.61	-33.41
O=C(CC1CC1(Cl)Cl)OCC1=N[N-]N=N1	REAL250004675587	0	22	-1.0	-38.27	234.79	4.11	-34.16
O=C(CC1CC1(Cl)Cl)OCC1=NN=N[N-]1	REAL250004675587	1	22	-1.0	-38.28	234.84	4.13	-34.15
O=C(OCC1=N[N-]N=N1)C1=CC2=C(C=N1)CCCC2	REAL250004675588	0	31	-1.0	-43.30	268.77	4.45	-38.85
O=C(OCC1=NN=N[N-]1)C1=CC2=C(C=N1)CCCC2	REAL250004675588	1	31	-1.0	-43.33	268.83	4.46	-38.87
CCC(C)(C)C1CCC(CC(=O)OCC2=N[N-]N=N2)CC1	REAL250004675589	0	46	-1.0	-36.90	335.30	7.23	-29.67
CCC(C)(C)C1CCC(CC(=O)OCC2=NN=N[N-]2)CC1	REAL250004675589	1	46	-1.0	-36.91	335.35	7.24	-29.67
COCCOC1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675590	0	32	-1.0	-40.59	290.35	1.48	-39.11
COCCOC1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675590	1	32	-1.0	-40.56	290.30	1.47	-39.09
O=C(CC1=CC=C(Cl)S1)OCC1=N[N-]N=N1	REAL250004675591	0	22	-1.0	-37.07	239.68	4.29	-32.78
O=C(CC1=CC=C(Cl)S1)OCC1=NN=N[N-]1	REAL250004675591	1	22	-1.0	-37.09	239.74	4.31	-32.78
O=C(OCC1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250004675592	0	33	-1.0	-44.47	286.47	2.45	-42.02
O=C(OCC1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL250004675592	1	33	-1.0	-44.51	286.41	2.44	-42.07
O=C(OCC1=N[N-]N=N1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004675593	0	34	-1.0	-44.02	297.29	5.88	-38.14
O=C(OCC1=NN=N[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250004675593	1	34	-1.0	-44.03	297.35	5.89	-38.14
CC1(C)[C@@]2(C)CC[C@]1(C(=O)OCC1=N[N-]N=N1)OC2=O	REAL250004675594	0	35	-1.0	-45.49	285.79	4.25	-41.24
CC1(C)[C@@]2(C)CC[C@]1(C(=O)OCC1=NN=N[N-]1)OC2=O	REAL250004675594	1	35	-1.0	-45.49	285.85	4.27	-41.22
O=C(OCC1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL250004675595	0	30	-1.0	-44.03	269.21	2.19	-41.84
O=C(OCC1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250004675595	1	30	-1.0	-44.03	269.26	2.21	-41.82
CC(C)(C)OC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675596	0	34	-1.0	-42.39	292.29	4.02	-38.37
CC(C)(C)OC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675596	1	34	-1.0	-42.38	292.23	4.01	-38.37
O=C(OCC1=N[N-]N=N1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004675597	0	29	-1.0	-40.06	259.70	4.89	-35.17
O=C(OCC1=NN=N[N-]1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250004675597	1	29	-1.0	-40.04	259.76	4.90	-35.14
COC1=CC=C2C=C(C(=O)OCC3=N[N-]N=N3)SC2=C1	REAL250004675598	0	29	-1.0	-42.19	277.87	4.55	-37.64
COC1=CC=C2C=C(C(=O)OCC3=NN=N[N-]3)SC2=C1	REAL250004675598	1	29	-1.0	-42.17	277.93	4.57	-37.60
CC1=CN(C2CCOCC2)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004675599	0	36	-1.0	-44.84	304.92	3.06	-41.78
CC1=CN(C2CCOCC2)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004675599	1	36	-1.0	-44.84	304.87	3.04	-41.80
CC1(C(=O)OCC2=N[N-]N=N2)OC2=CC=CC=C2NC1=O	REAL250004675600	0	31	-1.0	-40.68	280.24	2.11	-38.57
CC1(C(=O)OCC2=NN=N[N-]2)OC2=CC=CC=C2NC1=O	REAL250004675600	1	31	-1.0	-40.68	280.30	2.12	-38.56
O=C(CC1=C2CCCCN2N=C1)OCC1=N[N-]N=N1	REAL250004675601	0	32	-1.0	-41.80	276.15	3.96	-37.84
O=C(CC1=C2CCCCN2N=C1)OCC1=NN=N[N-]1	REAL250004675601	1	32	-1.0	-41.84	276.20	3.97	-37.87
O=C(OCC1=N[N-]N=N1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004675602	0	31	-1.0	-41.05	259.56	4.70	-36.35
O=C(OCC1=NN=N[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250004675602	1	31	-1.0	-41.08	259.61	4.72	-36.36
O=C(CCC1=NN=C(C(F)F)O1)OCC1=N[N-]N=N1	REAL250004675603	0	26	-1.0	-40.35	259.06	-1.45	-41.80
O=C(CCC1=NN=C(C(F)F)O1)OCC1=NN=N[N-]1	REAL250004675603	1	26	-1.0	-40.33	259.12	-1.44	-41.77
O=C(CC1CC2=CC=CC=C2O1)OCC1=N[N-]N=N1	REAL250004675604	0	30	-1.0	-42.56	267.34	4.68	-37.88
O=C(CC1CC2=CC=CC=C2O1)OCC1=NN=N[N-]1	REAL250004675604	1	30	-1.0	-42.54	267.40	4.69	-37.85
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004675605	0	29	-1.0	-39.88	277.10	6.32	-33.56
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL250004675605	1	29	-1.0	-39.85	277.16	6.33	-33.52
CC(C(=O)OCC1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL250004675606	0	28	-1.0	-35.06	271.59	3.22	-31.84
CC(C(=O)OCC1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL250004675606	1	28	-1.0	-35.06	271.54	3.20	-31.86
CC1=CC=CC(COC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675607	0	35	-1.0	-39.98	308.55	5.93	-34.05
CC1=CC=CC(COC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675607	1	35	-1.0	-39.99	308.61	5.95	-34.04
CC1(C)[C@H](C(=O)OCC2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL250004675608	0	35	-1.0	-38.63	293.44	6.84	-31.79
CC1(C)[C@H](C(=O)OCC2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL250004675608	1	35	-1.0	-38.58	293.50	6.86	-31.72
COC1=CC(C)=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004675609	0	32	-1.0	-39.69	275.70	4.35	-35.34
COC1=CC(C)=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004675609	1	32	-1.0	-39.71	275.75	4.37	-35.34
O=C(OCC1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004675610	0	27	-1.0	-41.55	243.64	1.44	-40.11
O=C(OCC1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250004675610	1	27	-1.0	-41.55	243.70	1.45	-40.10
O=C(OCC1=N[N-]N=N1)C1CC2=CC=C(Cl)C=C21	REAL250004675611	0	26	-1.0	-39.48	254.34	5.66	-33.82
O=C(OCC1=NN=N[N-]1)C1CC2=CC=C(Cl)C=C21	REAL250004675611	1	26	-1.0	-39.49	254.40	5.67	-33.82
O=C(CCCCCCCCC1CC1)OCC1=N[N-]N=N1	REAL250004675612	0	43	-1.0	-36.84	354.51	8.60	-28.24
O=C(CCCCCCCCC1CC1)OCC1=NN=N[N-]1	REAL250004675612	1	43	-1.0	-36.88	354.56	8.61	-28.27
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004675613	0	29	-1.0	-48.25	274.67	1.65	-46.60
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL250004675613	1	29	-1.0	-48.25	274.73	1.67	-46.58
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004675614	0	25	-1.0	-38.86	265.15	5.74	-33.12
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL250004675614	1	25	-1.0	-38.86	265.20	5.76	-33.10
COC(C(=O)OCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004675615	0	29	-1.0	-37.49	277.43	4.49	-33.00
COC(C(=O)OCC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004675615	1	29	-1.0	-37.50	277.49	4.50	-33.00
C[C@@H]1C[C@H](C(=O)OCC2=N[N-]N=N2)CC(C)(C)C1	REAL250004675616	0	37	-1.0	-36.75	289.53	5.60	-31.15
C[C@@H]1C[C@H](C(=O)OCC2=NN=N[N-]2)CC(C)(C)C1	REAL250004675616	1	37	-1.0	-36.73	289.58	5.61	-31.12
COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(OC)=N1	REAL250004675617	0	29	-1.0	-39.44	267.46	0.04	-39.40
COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(OC)=N1	REAL250004675617	1	29	-1.0	-39.46	267.41	0.03	-39.43
CC1(C)C2CCC(C2)C1C(=O)OCC1=N[N-]N=N1	REAL250004675618	0	35	-1.0	-38.25	267.34	5.28	-32.97
CC1(C)C2CCC(C2)C1C(=O)OCC1=NN=N[N-]1	REAL250004675618	1	35	-1.0	-38.25	267.40	5.30	-32.95
O=C(CC(C(F)F)N1C=CC=N1)OCC1=NN=N[N-]1	REAL250004675619	0	28	-1.0	-41.74	259.21	3.37	-38.37
O=C(CC(C(F)F)N1C=CC=N1)OCC1=N[N-]N=N1	REAL250004675619	1	28	-1.0	-41.74	259.15	3.36	-38.38
CC1CN2N=C(C(=O)OCC3=NN=N[N-]3)C=C2C(=O)N1	REAL250004675620	0	30	-1.0	-47.28	272.90	-0.06	-47.34
CC1CN2N=C(C(=O)OCC3=N[N-]N=N3)C=C2C(=O)N1	REAL250004675620	1	30	-1.0	-47.32	272.84	-0.07	-47.39
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004675621	0	27	-1.0	-42.43	266.22	1.40	-41.03
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL250004675621	1	27	-1.0	-42.43	266.28	1.41	-41.02
O=C(CC(C(F)F)N1C=CN=C1)OCC1=N[N-]N=N1	REAL250004675622	0	28	-1.0	-40.99	260.36	4.61	-36.38
O=C(CC(C(F)F)N1C=CN=C1)OCC1=NN=N[N-]1	REAL250004675622	1	28	-1.0	-40.98	260.42	4.62	-36.36
O=C(COC1=CC=C(F)C=N1)OCC1=NN=N[N-]1	REAL250004675623	0	25	-1.0	-38.36	245.30	1.55	-36.81
O=C(COC1=CC=C(F)C=N1)OCC1=N[N-]N=N1	REAL250004675623	1	25	-1.0	-38.36	245.25	1.54	-36.82
CC1(C)COCC(CC(=O)OCC2=N[N-]N=N2)O1	REAL250004675624	0	33	-1.0	-40.60	274.84	2.56	-38.04
CC1(C)COCC(CC(=O)OCC2=NN=N[N-]2)O1	REAL250004675624	1	33	-1.0	-40.59	274.89	2.57	-38.02
O=C(OCC1=NN=N[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004675625	0	28	-1.0	-51.25	267.22	-2.83	-54.08
O=C(OCC1=N[N-]N=N1)C1=C2N(CCNS2(=O)=O)N=C1	REAL250004675625	1	28	-1.0	-51.23	267.16	-2.84	-54.07
CC(C)(C)N1N=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675626	0	31	-1.0	-35.16	259.10	3.56	-31.60
CC(C)(C)N1N=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675626	1	31	-1.0	-35.15	259.04	3.55	-31.60
COCC1(C(=O)OCC2=N[N-]N=N2)CCCCO1	REAL250004675627	0	33	-1.0	-42.95	273.15	2.28	-40.67
COCC1(C(=O)OCC2=NN=N[N-]2)CCCCO1	REAL250004675627	1	33	-1.0	-42.96	273.20	2.30	-40.66
CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1C(F)(F)F	REAL250004675628	0	28	-1.0	-41.39	256.05	5.11	-36.28
CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1C(F)(F)F	REAL250004675628	1	28	-1.0	-41.37	256.11	5.12	-36.25
O=C(OCC1=N[N-]N=N1)[C@]12CCO[C@@H]1CCCCC2	REAL250004675629	0	36	-1.0	-40.31	260.31	3.38	-36.93
O=C(OCC1=NN=N[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250004675629	1	36	-1.0	-40.31	260.36	3.40	-36.91
CC12CCC(C(=O)OCC3=N[N-]N=N3)(CC1)CO2	REAL250004675630	0	33	-1.0	-37.84	267.37	3.28	-34.56
CC12CCC(C(=O)OCC3=NN=N[N-]3)(CC1)CO2	REAL250004675630	1	33	-1.0	-37.86	267.43	3.29	-34.57
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)SN=N1	REAL250004675631	0	26	-1.0	-34.10	250.59	2.25	-31.85
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)SN=N1	REAL250004675631	1	26	-1.0	-34.11	250.65	2.26	-31.85
CN1N=CC2=C1C=C(C(=O)OCC1=N[N-]N=N1)C(=O)N2	REAL250004675632	0	28	-1.0	-51.17	263.00	1.38	-49.79
CN1N=CC2=C1C=C(C(=O)OCC1=NN=N[N-]1)C(=O)N2	REAL250004675632	1	28	-1.0	-51.16	263.06	1.39	-49.77
O=C(OCC1=NN=N[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250004675633	0	28	-1.0	-45.01	265.04	4.74	-40.27
O=C(OCC1=N[N-]N=N1)C1=NOC=C1C1=CC=CC=C1	REAL250004675633	1	28	-1.0	-45.00	264.98	4.73	-40.27
CC1=NC2=C(CCCC2CC(=O)OCC2=N[N-]N=N2)O1	REAL250004675634	0	34	-1.0	-45.45	286.47	3.29	-42.16
CC1=NC2=C(CCCC2CC(=O)OCC2=NN=N[N-]2)O1	REAL250004675634	1	34	-1.0	-45.42	286.53	3.30	-42.12
CC1=CC=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675635	0	33	-1.0	-40.12	295.43	5.87	-34.25
CC1=CC=C(C(=O)CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675635	1	33	-1.0	-40.12	295.49	5.88	-34.24
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1OC(C)C	REAL250004675636	0	36	-1.0	-38.84	308.65	4.52	-34.32
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1OC(C)C	REAL250004675636	1	36	-1.0	-38.85	308.71	4.54	-34.31
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)OCC1=N[N-]N=N1	REAL250004675637	0	28	-1.0	-39.13	279.13	5.68	-33.45
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)OCC1=NN=N[N-]1	REAL250004675637	1	28	-1.0	-39.10	279.19	5.70	-33.40
COC1=CC=C(OCCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675638	0	36	-1.0	-40.67	313.28	4.24	-36.43
COC1=CC=C(OCCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675638	1	36	-1.0	-40.67	313.33	4.25	-36.42
CC1=CC=C(OCCCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675639	0	35	-1.0	-39.85	305.18	5.63	-34.22
CC1=CC=C(OCCCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675639	1	35	-1.0	-39.84	305.24	5.65	-34.19
CC(C)OC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675640	0	32	-1.0	-38.76	279.46	4.63	-34.13
CC(C)OC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675640	1	32	-1.0	-38.76	279.51	4.65	-34.11
CC(C)COC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675641	0	35	-1.0	-37.85	303.14	5.51	-32.34
CC(C)COC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675641	1	35	-1.0	-37.86	303.20	5.52	-32.34
O=C(OCC1=N[N-]N=N1)C1=CC=C2CCCCC2=C1	REAL250004675642	0	32	-1.0	-39.10	272.98	6.27	-32.83
O=C(OCC1=NN=N[N-]1)C1=CC=C2CCCCC2=C1	REAL250004675642	1	32	-1.0	-39.09	273.04	6.29	-32.80
O=C(OCC1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL250004675643	0	26	-1.0	-40.91	249.43	3.36	-37.55
O=C(OCC1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1	REAL250004675643	1	26	-1.0	-40.89	249.49	3.37	-37.52
CC1=CC=C(Cl)C(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675644	0	29	-1.0	-40.29	278.76	5.24	-35.05
CC1=CC=C(Cl)C(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675644	1	29	-1.0	-40.29	278.82	5.26	-35.03
O=C(COC1=CC=C2CCCC2=C1)OCC1=N[N-]N=N1	REAL250004675645	0	33	-1.0	-39.59	286.89	5.95	-33.64
O=C(COC1=CC=C2CCCC2=C1)OCC1=NN=N[N-]1	REAL250004675645	1	33	-1.0	-39.61	286.94	5.96	-33.65
CC1=CC(Cl)=CC=C1OC(C)C(=O)OCC1=N[N-]N=N1	REAL250004675646	0	32	-1.0	-37.12	295.90	5.86	-31.26
CC1=CC(Cl)=CC=C1OC(C)C(=O)OCC1=NN=N[N-]1	REAL250004675646	1	32	-1.0	-37.11	295.96	5.87	-31.24
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCC2)S1	REAL250004675647	0	29	-1.0	-39.13	265.03	5.45	-33.68
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCC2)S1	REAL250004675647	1	29	-1.0	-39.11	265.09	5.46	-33.65
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCC2)S1	REAL250004675648	0	26	-1.0	-39.31	247.30	4.85	-34.46
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCC2)S1	REAL250004675648	1	26	-1.0	-39.26	247.36	4.87	-34.39
O=C(OCC1=N[N-]N=N1)C1=CC=C2SCC(=O)NC2=C1	REAL250004675649	0	28	-1.0	-38.53	270.24	2.78	-35.75
O=C(OCC1=NN=N[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL250004675649	1	28	-1.0	-38.52	270.29	2.79	-35.73
CCCOC1=CC=C(OCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675650	0	36	-1.0	-38.99	314.18	5.05	-33.94
CCCOC1=CC=C(OCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675650	1	36	-1.0	-39.01	314.24	5.06	-33.95
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675651	0	28	-1.0	-37.77	265.02	4.44	-33.33
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675651	1	28	-1.0	-37.78	265.08	4.46	-33.32
CCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675652	0	32	-1.0	-39.30	283.77	4.79	-34.51
CCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675652	1	32	-1.0	-39.28	283.83	4.80	-34.48
COC1=CC=C2OC(C(=O)OCC3=N[N-]N=N3)=C(C)C2=C1	REAL250004675653	0	32	-1.0	-42.13	286.97	4.15	-37.98
COC1=CC=C2OC(C(=O)OCC3=NN=N[N-]3)=C(C)C2=C1	REAL250004675653	1	32	-1.0	-42.13	287.03	4.16	-37.97
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL250004675654	0	36	-1.0	-41.76	305.16	6.23	-35.53
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL250004675654	1	36	-1.0	-41.74	305.22	6.25	-35.49
CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL250004675655	0	27	-1.0	-46.17	257.20	5.86	-40.31
CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL250004675655	1	27	-1.0	-46.16	257.25	5.88	-40.28
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CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL250004675678	0	35	-1.0	-41.49	304.86	6.26	-35.23
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL250004675678	1	35	-1.0	-41.50	304.92	6.27	-35.23
O=C(CC1=CC=CC(F)=C1)NCC(=O)OCC1=N[N-]N=N1	REAL250004675679	0	32	-1.0	-41.17	297.79	3.11	-38.06
O=C(CC1=CC=CC(F)=C1)NCC(=O)OCC1=NN=N[N-]1	REAL250004675679	1	32	-1.0	-41.18	297.85	3.12	-38.06
CC1=NN(CCC(=O)OCC2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL250004675680	0	33	-1.0	-39.61	307.26	4.34	-35.27
CC1=NN(CCC(=O)OCC2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL250004675680	1	33	-1.0	-39.63	307.32	4.35	-35.28
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CC(C)C1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675688	1	27	-1.0	-44.04	259.03	2.77	-41.27
CC1=CC=CC(C2(C(=O)OCC3=N[N-]N=N3)CCCC2)=C1	REAL250004675689	0	38	-1.0	-41.84	309.05	7.41	-34.43
CC1=CC=CC(C2(C(=O)OCC3=NN=N[N-]3)CCCC2)=C1	REAL250004675689	1	38	-1.0	-41.85	309.11	7.42	-34.43
CC(CC(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004675690	0	31	-1.0	-39.27	272.30	5.74	-33.53
CC(CC(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004675690	1	31	-1.0	-39.25	272.35	5.75	-33.50
CC(C)(C)C1=NC(CC(=O)OCC2=N[N-]N=N2)=CS1	REAL250004675691	0	33	-1.0	-40.31	299.16	4.06	-36.25
CC(C)(C)C1=NC(CC(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675691	1	33	-1.0	-40.30	299.21	4.07	-36.23
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2CCCCC2)=N1	REAL250004675692	0	38	-1.0	-39.69	315.83	5.30	-34.39
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2CCCCC2)=N1	REAL250004675692	1	38	-1.0	-39.69	315.89	5.31	-34.38
CCN1N=C(C)C(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004675693	0	31	-1.0	-41.85	278.02	3.56	-38.29
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CC1=CC=CC=C1C1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004675694	1	32	-1.0	-39.33	276.97	6.29	-33.04
CC(CC(=O)OCC1=N[N-]N=N1)NC(=O)C1CCCC1	REAL250004675695	0	38	-1.0	-42.80	315.92	3.71	-39.09
CC(CC(=O)OCC1=NN=N[N-]1)NC(=O)C1CCCC1	REAL250004675695	1	38	-1.0	-42.82	315.97	3.72	-39.10
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CC(SC1=CC=C(C#N)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675696	1	30	-1.0	-39.27	295.63	6.21	-33.06
CC(CC(=O)OCC1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL250004675697	0	41	-1.0	-42.31	334.03	4.39	-37.92
CC(CC(=O)OCC1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL250004675697	1	41	-1.0	-42.31	334.10	4.40	-37.91
O=C(CSCC1CCCCO1)OCC1=N[N-]N=N1	REAL250004675698	0	33	-1.0	-39.70	291.63	4.05	-35.65
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CC(C)(C)C(NS(C)(=O)=O)C(=O)OCC1=N[N-]N=N1	REAL250004675699	0	35	-1.0	-39.65	299.69	-0.14	-39.79
CC(C)(C)C(NS(C)(=O)=O)C(=O)OCC1=NN=N[N-]1	REAL250004675699	1	35	-1.0	-39.66	299.75	-0.13	-39.79
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CCCCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004675702	0	34	-1.0	-41.20	294.95	4.40	-36.80
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CC(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004675704	0	27	-1.0	-38.41	260.64	3.09	-35.32
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CCC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004675706	0	32	-1.0	-42.38	276.48	2.96	-39.42
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CCC1CC(CC(=O)OCC2=N[N-]N=N2)CCO1	REAL250004675713	0	35	-1.0	-37.27	285.29	3.94	-33.33
CCC1CC(CC(=O)OCC2=NN=N[N-]2)CCO1	REAL250004675713	1	35	-1.0	-37.27	285.35	3.96	-33.31
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CC(C)C1CC(CC(=O)OCC2=NN=N[N-]2)CCO1	REAL250004675714	1	38	-1.0	-37.09	302.33	4.49	-32.60
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COCCN1C=C(C(=O)OCC2=NN=N[N-]2)C(C)=N1	REAL250004675715	1	32	-1.0	-38.43	287.99	2.03	-36.40
CC1=CC(C(=O)CCC(=O)OCC2=N[N-]N=N2)=C(C)S1	REAL250004675716	0	33	-1.0	-39.16	304.26	5.77	-33.39
CC1=CC(C(=O)CCC(=O)OCC2=NN=N[N-]2)=C(C)S1	REAL250004675716	1	33	-1.0	-39.16	304.31	5.79	-33.37
COC1=CC=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675717	0	34	-1.0	-40.85	303.33	4.51	-36.34
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CCC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675718	1	30	-1.0	-39.10	273.37	5.07	-34.03
CC(=O)CCCCCCC(=O)OCC1=N[N-]N=N1	REAL250004675719	0	35	-1.0	-41.64	303.09	5.38	-36.26
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CC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004675720	0	27	-1.0	-41.66	257.53	4.29	-37.37
CC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004675720	1	27	-1.0	-41.67	257.59	4.31	-37.36
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CN(C)C1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675728	0	36	-1.0	-38.46	304.94	5.75	-32.71
CN(C)C1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675728	1	36	-1.0	-38.46	305.00	5.76	-32.70
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004675729	0	35	-1.0	-38.27	297.77	7.15	-31.12
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004675729	1	35	-1.0	-38.26	297.83	7.17	-31.09
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N#CCOC1=CC=CC(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675733	0	30	-1.0	-44.93	283.13	4.57	-40.36
N#CCOC1=CC=CC(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675733	1	30	-1.0	-44.93	283.19	4.58	-40.35
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CN1N=CC=C1COCC(=O)OCC1=N[N-]N=N1	REAL250004675735	0	29	-1.0	-43.68	267.72	2.21	-41.47
CN1N=CC=C1COCC(=O)OCC1=NN=N[N-]1	REAL250004675735	1	29	-1.0	-43.68	267.78	2.23	-41.45
CS(=O)(=O)C1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004675736	0	31	-1.0	-49.86	280.15	2.43	-47.43
CS(=O)(=O)C1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004675736	1	31	-1.0	-49.89	280.21	2.44	-47.45
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COCC1=C(C(=O)OCC2=N[N-]N=N2)SC=N1	REAL250004675739	0	25	-1.0	-39.80	247.23	0.52	-39.28
COCC1=C(C(=O)OCC2=NN=N[N-]2)SC=N1	REAL250004675739	1	25	-1.0	-39.77	247.29	0.54	-39.23
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CC(C)OC1=NC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675742	0	31	-1.0	-42.16	277.34	3.11	-39.05
CC(C)OC1=NC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675742	1	31	-1.0	-42.18	277.28	3.09	-39.09
CCN1N=NC2=C1CCC(C(=O)OCC1=N[N-]N=N1)C2	REAL250004675743	0	34	-1.0	-45.72	290.86	3.45	-42.27
CCN1N=NC2=C1CCC(C(=O)OCC1=NN=N[N-]1)C2	REAL250004675743	1	34	-1.0	-45.71	290.91	3.47	-42.24
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCOCC2)C=C1	REAL250004675744	0	36	-1.0	-39.86	302.78	5.16	-34.70
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O=C(CCC1=CC=C(C(F)F)C=C1)OCC1=N[N-]N=N1	REAL250004675745	0	31	-1.0	-39.39	287.98	6.30	-33.09
O=C(CCC1=CC=C(C(F)F)C=C1)OCC1=NN=N[N-]1	REAL250004675745	1	31	-1.0	-39.41	288.04	6.31	-33.10
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O=C(OCC1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL250004675746	1	24	-1.0	-38.29	237.58	2.84	-35.45
CC1=C(C(=O)OCC2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL250004675747	0	32	-1.0	-37.74	290.05	2.19	-35.55
CC1=C(C(=O)OCC2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL250004675747	1	32	-1.0	-37.73	290.10	2.20	-35.53
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1F	REAL250004675748	0	25	-1.0	-39.75	241.40	4.51	-35.24
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1F	REAL250004675748	1	25	-1.0	-39.74	241.45	4.52	-35.22
O=C(OCC1=NN=N[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL250004675749	0	32	-1.0	-41.19	279.18	1.86	-39.33
O=C(OCC1=N[N-]N=N1)C1=CN=CC(N2CCCC2)=N1	REAL250004675749	1	32	-1.0	-41.19	279.12	1.85	-39.34
O=C(OCC1=NN=N[N-]1)C1=CC2=NC=CC=C2S1	REAL250004675750	0	24	-1.0	-41.16	243.38	3.38	-37.78
O=C(OCC1=N[N-]N=N1)C1=CC2=NC=CC=C2S1	REAL250004675750	1	24	-1.0	-41.17	243.32	3.37	-37.80
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004675751	0	22	-1.0	-36.05	247.74	4.79	-31.26
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL250004675751	1	22	-1.0	-36.01	247.79	4.81	-31.20
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL250004675752	0	35	-1.0	-41.62	309.26	5.58	-36.04
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL250004675752	1	35	-1.0	-41.61	309.20	5.56	-36.05
CC(C)(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=CC(Cl)=N1	REAL250004675753	0	33	-1.0	-35.77	301.62	5.06	-30.71
CC(C)(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=CC(Cl)=N1	REAL250004675753	1	33	-1.0	-35.74	301.56	5.04	-30.70
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004675754	0	39	-1.0	-41.18	316.94	7.95	-33.23
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL250004675754	1	39	-1.0	-41.15	317.00	7.96	-33.19
CC(C)(C(=O)OCC1=N[N-]N=N1)C1CCCCO1	REAL250004675755	0	35	-1.0	-36.18	277.94	3.70	-32.48
CC(C)(C(=O)OCC1=NN=N[N-]1)C1CCCCO1	REAL250004675755	1	35	-1.0	-36.19	277.99	3.72	-32.47
CC(C)C(C)(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004675756	0	40	-1.0	-37.57	308.83	7.04	-30.53
CC(C)C(C)(CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004675756	1	40	-1.0	-37.58	308.89	7.06	-30.52
O=C(OCC1=NN=N[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004675757	0	34	-1.0	-44.02	301.84	6.16	-37.86
O=C(OCC1=N[N-]N=N1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL250004675757	1	34	-1.0	-44.04	301.78	6.14	-37.90
COC1=CC(F)=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004675758	0	26	-1.0	-40.99	263.09	3.64	-37.35
COC1=CC(F)=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004675758	1	26	-1.0	-41.00	263.15	3.66	-37.34
O=C(OCC1=N[N-]N=N1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004675759	0	28	-1.0	-44.45	263.94	4.92	-39.53
O=C(OCC1=NN=N[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL250004675759	1	28	-1.0	-44.44	264.00	4.93	-39.51
CC(C)CC1(C(=O)OCC2=N[N-]N=N2)CCNC1=O	REAL250004675760	0	35	-1.0	-41.89	281.74	1.32	-40.57
CC(C)CC1(C(=O)OCC2=NN=N[N-]2)CCNC1=O	REAL250004675760	1	35	-1.0	-41.91	281.79	1.33	-40.58
CC1=CC(C)=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1C	REAL250004675761	0	35	-1.0	-39.32	298.77	6.77	-32.55
CC1=CC(C)=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1C	REAL250004675761	1	35	-1.0	-39.31	298.82	6.78	-32.53
O=C(C=CC1=CC=CC=C1C(F)(F)F)OCC1=N[N-]N=N1	REAL250004675762	0	29	-1.0	-40.75	275.71	5.85	-34.90
O=C(C=CC1=CC=CC=C1C(F)(F)F)OCC1=NN=N[N-]1	REAL250004675762	1	29	-1.0	-40.74	275.77	5.86	-34.88
O=C(C=CC1=CC=C2NC=CC2=C1)OCC1=N[N-]N=N1	REAL250004675763	0	30	-1.0	-42.25	272.89	5.07	-37.18
O=C(C=CC1=CC=C2NC=CC2=C1)OCC1=NN=N[N-]1	REAL250004675763	1	30	-1.0	-42.27	272.95	5.08	-37.19
COC(=O)C1=COC(C=CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675764	0	29	-1.0	-42.89	281.59	3.93	-38.96
COC(=O)C1=COC(C=CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675764	1	29	-1.0	-42.88	281.65	3.94	-38.94
O=C(OCC1=NN=N[N-]1)C1=CN(CC2CCCC2)N=C1	REAL250004675765	0	35	-1.0	-41.22	301.30	5.16	-36.06
O=C(OCC1=N[N-]N=N1)C1=CN(CC2CCCC2)N=C1	REAL250004675765	1	35	-1.0	-41.19	301.24	5.15	-36.04
COCCN1C=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675766	0	29	-1.0	-40.44	269.85	1.54	-38.90
COCCN1C=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675766	1	29	-1.0	-40.43	269.79	1.53	-38.90
COCCN1N=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004675767	0	32	-1.0	-40.43	285.63	1.91	-38.52
COCCN1N=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004675767	1	32	-1.0	-40.44	285.69	1.92	-38.52
CCOC(=O)C1(CC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004675768	0	38	-1.0	-41.90	309.29	3.76	-38.14
CCOC(=O)C1(CC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004675768	1	38	-1.0	-41.88	309.34	3.77	-38.11
C[C@@H]1C[C@]1(C(=O)OCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL250004675769	0	37	-1.0	-39.47	306.51	5.81	-33.66
C[C@@H]1C[C@]1(C(=O)OCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL250004675769	1	37	-1.0	-39.46	306.57	5.82	-33.64
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CC(C(=O)OCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL250004675785	0	28	-1.0	-36.80	262.29	5.19	-31.61
CC(C(=O)OCC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL250004675785	1	28	-1.0	-36.82	262.35	5.20	-31.62
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CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL250004675793	0	37	-1.0	-42.65	317.94	5.81	-36.84
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CC(C)(C)OCC1=NC=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004675795	1	34	-1.0	-38.09	308.28	2.87	-35.22
CC(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=C(C(C)C)N1	REAL250004675796	0	38	-1.0	-43.48	318.36	5.34	-38.14
CC(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=C(C(C)C)N1	REAL250004675796	1	38	-1.0	-43.43	318.41	5.35	-38.08
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NC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675801	0	28	-1.0	-44.35	259.46	-0.15	-44.50
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CC1=CC(C)=C(OCC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004675802	1	35	-1.0	-39.05	304.59	6.18	-32.87
COC(=O)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675803	0	32	-1.0	-40.55	297.20	5.70	-34.85
COC(=O)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675803	1	32	-1.0	-40.52	297.26	5.71	-34.81
CC1=CC(OCC(=O)OCC2=N[N-]N=N2)=CC=C1C(C)C	REAL250004675804	0	38	-1.0	-38.98	318.96	6.50	-32.48
CC1=CC(OCC(=O)OCC2=NN=N[N-]2)=CC=C1C(C)C	REAL250004675804	1	38	-1.0	-38.97	319.02	6.51	-32.46
CS(=O)(=O)NC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675805	0	30	-1.0	-42.40	287.55	0.40	-42.00
CS(=O)(=O)NC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675805	1	30	-1.0	-42.41	287.61	0.41	-42.00
CCC1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675806	0	32	-1.0	-39.12	284.22	5.48	-33.64
CCC1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675806	1	32	-1.0	-39.13	284.28	5.50	-33.63
O=C(CC1=CC=C2OCCOC2=C1)OCC1=N[N-]N=N1	REAL250004675807	0	31	-1.0	-41.63	276.92	3.72	-37.91
O=C(CC1=CC=C2OCCOC2=C1)OCC1=NN=N[N-]1	REAL250004675807	1	31	-1.0	-41.64	276.98	3.73	-37.91
CCC1=CC=C(C(=O)CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675808	0	36	-1.0	-39.87	316.92	6.63	-33.24
CCC1=CC=C(C(=O)CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675808	1	36	-1.0	-39.82	316.98	6.65	-33.17
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL250004675809	0	27	-1.0	-38.35	254.43	4.96	-33.39
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL250004675809	1	27	-1.0	-38.35	254.48	4.98	-33.37
COC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675810	0	32	-1.0	-38.62	283.31	4.67	-33.95
COC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675810	1	32	-1.0	-38.63	283.37	4.68	-33.95
COC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1OC	REAL250004675811	0	36	-1.0	-40.77	312.56	4.55	-36.22
COC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1OC	REAL250004675811	1	36	-1.0	-40.75	312.62	4.57	-36.18
CC1=CC=CC(OC(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675812	0	32	-1.0	-38.47	280.64	5.31	-33.16
CC1=CC=CC(OC(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675812	1	32	-1.0	-38.47	280.70	5.33	-33.14
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL250004675813	0	27	-1.0	-41.19	258.48	3.98	-37.21
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2C=NN=N2)C=C1	REAL250004675813	1	27	-1.0	-41.18	258.42	3.96	-37.22
COC1=CC=CC=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004675814	0	32	-1.0	-39.38	282.14	4.72	-34.66
COC1=CC=CC=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004675814	1	32	-1.0	-39.37	282.19	4.74	-34.63
CCCCC1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004675815	0	40	-1.0	-38.33	310.28	6.74	-31.59
CCCCC1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004675815	1	40	-1.0	-38.30	310.34	6.75	-31.55
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(OC)=C1C	REAL250004675816	0	33	-1.0	-37.51	287.90	3.18	-34.33
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(OC)=C1C	REAL250004675816	1	33	-1.0	-37.49	287.95	3.20	-34.29
CC1=CC=C(OC(C)C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675817	0	32	-1.0	-38.45	280.64	5.31	-33.14
CC1=CC=C(OC(C)C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675817	1	32	-1.0	-38.48	280.69	5.33	-33.15
CC1=CC=C2C(CC(=O)OCC3=N[N-]N=N3)=COC2=C1	REAL250004675818	0	31	-1.0	-41.43	281.70	5.61	-35.82
CC1=CC=C2C(CC(=O)OCC3=NN=N[N-]3)=COC2=C1	REAL250004675818	1	31	-1.0	-41.43	281.76	5.62	-35.81
CSC1=CC=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675819	0	26	-1.0	-42.09	244.97	4.62	-37.47
CSC1=CC=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675819	1	26	-1.0	-42.11	245.03	4.63	-37.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)OCC1=N[N-]N=N1	REAL250004675820	0	35	-1.0	-42.51	311.95	6.03	-36.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)OCC1=NN=N[N-]1	REAL250004675820	1	35	-1.0	-42.50	312.01	6.05	-36.45
COCC1=C(C(=O)OCC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004675821	0	32	-1.0	-44.59	291.08	3.92	-40.67
COCC1=C(C(=O)OCC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004675821	1	32	-1.0	-44.57	291.14	3.94	-40.63
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL250004675822	0	26	-1.0	-41.67	247.37	4.11	-37.56
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL250004675822	1	26	-1.0	-41.68	247.42	4.12	-37.56
N#CC1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675823	0	27	-1.0	-41.30	262.17	4.43	-36.87
N#CC1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675823	1	27	-1.0	-41.31	262.23	4.45	-36.86
CC(C)OC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675824	0	36	-1.0	-40.28	310.75	5.88	-34.40
CC(C)OC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675824	1	36	-1.0	-40.30	310.80	5.89	-34.41
CCCOC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675825	0	36	-1.0	-39.56	314.33	6.05	-33.51
CCCOC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675825	1	36	-1.0	-39.54	314.39	6.07	-33.47
O=C(CCS(=O)(=O)C1CCCC1)OCC1=N[N-]N=N1	REAL250004675826	0	34	-1.0	-44.15	299.44	1.96	-42.19
O=C(CCS(=O)(=O)C1CCCC1)OCC1=NN=N[N-]1	REAL250004675826	1	34	-1.0	-44.16	299.49	1.97	-42.19
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CN(CC(=O)OCC1=N[N-]N=N1)C1CCSC1	REAL250004675886	0	31	-1.0	-37.65	262.57	2.10	-35.55
CN(CC(=O)OCC1=NN=N[N-]1)C1CCSC1	REAL250004675886	1	31	-1.0	-37.65	262.62	2.11	-35.54
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CCSC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=N1	REAL250004675890	0	28	-1.0	-36.50	270.45	4.06	-32.44
CCSC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=N1	REAL250004675890	1	28	-1.0	-36.51	270.39	4.05	-32.46
CN(C)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004675891	0	33	-1.0	-37.83	300.29	4.17	-33.66
CN(C)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004675891	1	33	-1.0	-37.78	300.35	4.17	-33.61
CN(C)C1=NC2=CC=CC=C2C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675892	0	35	-1.0	-38.97	300.68	5.70	-33.27
CN(C)C1=NC2=CC=CC=C2C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675892	1	35	-1.0	-39.02	300.63	5.68	-33.34
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CC1=CC=C2OC=C(C(=O)OCC3=N[N-]N=N3)C2=C1	REAL250004675896	0	28	-1.0	-40.47	259.72	4.80	-35.67
CC1=CC=C2OC=C(C(=O)OCC3=NN=N[N-]3)C2=C1	REAL250004675896	1	28	-1.0	-40.45	259.77	4.82	-35.63
O=C(OCC1=N[N-]N=N1)C1=CC=C2SCCCC2=C1	REAL250004675897	0	30	-1.0	-39.15	272.81	5.95	-33.20
O=C(OCC1=NN=N[N-]1)C1=CC=C2SCCCC2=C1	REAL250004675897	1	30	-1.0	-39.14	272.87	5.96	-33.18
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O=C(OCC1=NN=N[N-]1)C1=CC=C2SCCCCC2=C1	REAL250004675898	1	33	-1.0	-37.87	289.89	6.56	-31.31
CC1=CC=C2C(C(=O)OCC3=N[N-]N=N3)=COC2=C1	REAL250004675899	0	28	-1.0	-39.80	259.69	4.81	-34.99
CC1=CC=C2C(C(=O)OCC3=NN=N[N-]3)=COC2=C1	REAL250004675899	1	28	-1.0	-39.74	259.75	4.83	-34.91
COC(=O)CCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004675900	0	34	-1.0	-41.74	308.62	6.03	-35.71
COC(=O)CCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004675900	1	34	-1.0	-41.76	308.68	6.05	-35.71
CC(C)=CCC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1F	REAL250004675901	0	35	-1.0	-36.15	310.66	7.22	-28.93
CC(C)=CCC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1F	REAL250004675901	1	35	-1.0	-36.12	310.72	7.23	-28.89
O=C(OCC1=NN=N[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004675902	0	29	-1.0	-47.57	275.56	3.27	-44.30
O=C(OCC1=N[N-]N=N1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL250004675902	1	29	-1.0	-47.60	275.50	3.26	-44.34
O=C(CC1=CC2=CC=CC=C2N=C1)OCC1=NN=N[N-]1	REAL250004675903	0	30	-1.0	-42.05	273.65	4.93	-37.12
O=C(CC1=CC2=CC=CC=C2N=C1)OCC1=N[N-]N=N1	REAL250004675903	1	30	-1.0	-42.05	273.59	4.92	-37.13
CC(C)(C)C1=NN(CC(=O)OCC2=NN=N[N-]2)N=N1	REAL250004675904	0	32	-1.0	-41.29	286.52	2.22	-39.07
CC(C)(C)C1=NN(CC(=O)OCC2=N[N-]N=N2)N=N1	REAL250004675904	1	32	-1.0	-41.32	286.46	2.21	-39.11
O=C(OCC1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL250004675905	0	26	-1.0	-50.77	256.91	3.34	-47.43
O=C(OCC1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL250004675905	1	26	-1.0	-50.80	256.85	3.32	-47.48
O=C(OCC1=N[N-]N=N1)C(F)C1=CC=C(F)C=C1	REAL250004675906	0	25	-1.0	-36.57	242.75	4.66	-31.91
O=C(OCC1=NN=N[N-]1)C(F)C1=CC=C(F)C=C1	REAL250004675906	1	25	-1.0	-36.56	242.81	4.67	-31.89
O=C(OCC1=N[N-]N=N1)C1=COC2=CC(F)=CC(F)=C12	REAL250004675907	0	25	-1.0	-39.14	248.13	4.20	-34.94
O=C(OCC1=NN=N[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL250004675907	1	25	-1.0	-39.15	248.18	4.22	-34.93
O=C(OCC1=NN=N[N-]1)C1=CN(CCCF)N=N1	REAL250004675908	0	27	-1.0	-49.02	259.23	1.91	-47.11
O=C(OCC1=N[N-]N=N1)C1=CN(CCCF)N=N1	REAL250004675908	1	27	-1.0	-49.00	259.18	1.90	-47.10
N#CC1=C2N=CC(C(=O)OCC3=NN=N[N-]3)=CN2N=C1	REAL250004675909	0	25	-1.0	-39.58	253.93	3.18	-36.40
N#CC1=C2N=CC(C(=O)OCC3=N[N-]N=N3)=CN2N=C1	REAL250004675909	1	25	-1.0	-39.57	253.87	3.16	-36.41
O=C(OCC1=NN=N[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL250004675910	0	32	-1.0	-41.94	293.69	3.81	-38.13
O=C(OCC1=N[N-]N=N1)C1=NC=C(OCC2CC2)C=C1F	REAL250004675910	1	32	-1.0	-41.99	293.63	3.80	-38.19
CN1N=CC2=C1SC(C(=O)OCC1=NN=N[N-]1)=C2	REAL250004675911	0	25	-1.0	-39.74	251.08	2.94	-36.80
CN1N=CC2=C1SC(C(=O)OCC1=N[N-]N=N1)=C2	REAL250004675911	1	25	-1.0	-39.75	251.02	2.93	-36.82
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)N=C1	REAL250004675912	0	34	-1.0	-36.99	295.86	2.50	-34.49
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL250004675912	1	34	-1.0	-37.00	295.92	2.51	-34.49
COC1=CC=C(C(C)C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004675913	0	32	-1.0	-41.83	285.20	4.43	-37.40
COC1=CC=C(C(C)C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004675913	1	32	-1.0	-41.85	285.26	4.44	-37.41
COC(C(=O)OCC1=N[N-]N=N1)C1CC(F)(F)C1	REAL250004675914	0	29	-1.0	-38.15	264.78	3.68	-34.47
COC(C(=O)OCC1=NN=N[N-]1)C1CC(F)(F)C1	REAL250004675914	1	29	-1.0	-38.15	264.84	3.69	-34.46
CC(C)(C)C1(C)CC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004675915	0	37	-1.0	-37.13	286.07	5.35	-31.78
CC(C)(C)C1(C)CC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004675915	1	37	-1.0	-37.10	286.12	5.36	-31.74
O=C(OCC1=NN=N[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004675916	0	28	-1.0	-43.15	275.05	2.29	-40.86
O=C(OCC1=N[N-]N=N1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL250004675916	1	28	-1.0	-43.16	274.99	2.28	-40.88
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O=C(COCC1=NC(C2CC2)=NO1)OCC1=NN=N[N-]1	REAL250004675917	1	31	-1.0	-44.83	289.91	1.66	-43.17
CN1CCC2=CC(CC(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004675918	0	34	-1.0	-39.67	293.19	4.41	-35.26
CN1CCC2=CC(CC(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004675918	1	34	-1.0	-39.67	293.24	4.43	-35.24
CC1=CC(CCC(=O)OCC2=N[N-]N=N2)=NN1C	REAL250004675919	0	31	-1.0	-41.85	276.12	3.52	-38.33
CC1=CC(CCC(=O)OCC2=NN=N[N-]2)=NN1C	REAL250004675919	1	31	-1.0	-41.83	276.18	3.53	-38.30
O=C(CN1C=NC(Br)=C1)OCC1=NN=N[N-]1	REAL250004675920	0	22	-1.0	-41.19	235.02	4.16	-37.03
O=C(CN1C=NC(Br)=C1)OCC1=N[N-]N=N1	REAL250004675920	1	22	-1.0	-41.16	234.97	4.14	-37.02
O=C(OCC1=N[N-]N=N1)[C@]12CCC[C@H]1CC(=O)C2	REAL250004675921	0	31	-1.0	-37.90	260.28	4.10	-33.80
O=C(OCC1=NN=N[N-]1)[C@]12CCC[C@H]1CC(=O)C2	REAL250004675921	1	31	-1.0	-37.92	260.34	4.12	-33.80
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=C1)CNC2=O	REAL250004675922	0	27	-1.0	-42.66	252.52	1.26	-41.40
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=C1)CNC2=O	REAL250004675922	1	27	-1.0	-42.68	252.58	1.27	-41.41
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CC	REAL250004675923	0	31	-1.0	-41.58	274.28	3.59	-37.99
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CC	REAL250004675923	1	31	-1.0	-41.56	274.34	3.60	-37.96
N#CC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004675924	0	26	-1.0	-40.48	258.70	4.98	-35.50
N#CC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004675924	1	26	-1.0	-40.49	258.76	4.99	-35.50
O=C(CC(C1=CC=CC=C1)C(F)F)OCC1=N[N-]N=N1	REAL250004675925	0	31	-1.0	-38.00	276.43	5.78	-32.22
O=C(CC(C1=CC=CC=C1)C(F)F)OCC1=NN=N[N-]1	REAL250004675925	1	31	-1.0	-37.99	276.49	5.80	-32.19
O=C(OCC1=N[N-]N=N1)C1=CC=C2CCOCC2=C1	REAL250004675926	0	30	-1.0	-39.43	264.00	3.86	-35.57
O=C(OCC1=NN=N[N-]1)C1=CC=C2CCOCC2=C1	REAL250004675926	1	30	-1.0	-39.44	264.05	3.87	-35.57
CCOCC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004675927	0	28	-1.0	-45.76	273.36	1.46	-44.30
CCOCC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675927	1	28	-1.0	-45.78	273.42	1.47	-44.31
CC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1C1CCOC1	REAL250004675928	0	32	-1.0	-49.19	281.62	0.82	-48.37
CC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1C1CCOC1	REAL250004675928	1	32	-1.0	-49.22	281.68	0.83	-48.39
CC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004675929	0	27	-1.0	-40.32	255.33	4.25	-36.07
CC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004675929	1	27	-1.0	-40.30	255.38	4.27	-36.03
O=C(OCC1=N[N-]N=N1)C1CCC2=NN=NN2C1	REAL250004675930	0	27	-1.0	-40.88	242.54	1.60	-39.28
O=C(OCC1=NN=N[N-]1)C1CCC2=NN=NN2C1	REAL250004675930	1	27	-1.0	-40.88	242.59	1.61	-39.27
O=C(OCC1=N[N-]N=N1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004675931	0	32	-1.0	-40.50	278.92	6.18	-34.32
O=C(OCC1=NN=N[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL250004675931	1	32	-1.0	-40.50	278.98	6.20	-34.30
O=C(CN1N=NN=C1C1CC1)OCC1=N[N-]N=N1	REAL250004675932	0	27	-1.0	-42.83	254.18	2.47	-40.36
O=C(CN1N=NN=C1C1CC1)OCC1=NN=N[N-]1	REAL250004675932	1	27	-1.0	-42.83	254.24	2.48	-40.35
NC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004675933	0	26	-1.0	-40.24	257.25	1.06	-39.18
NC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004675933	1	26	-1.0	-40.20	257.31	1.08	-39.12
O=C(C=CC1=NC2=CC=CC=C2N=C1)OCC1=N[N-]N=N1	REAL250004675934	0	30	-1.0	-43.21	281.25	3.73	-39.48
O=C(C=CC1=NC2=CC=CC=C2N=C1)OCC1=NN=N[N-]1	REAL250004675934	1	30	-1.0	-43.21	281.31	3.74	-39.47
CCN1C=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675935	0	25	-1.0	-45.66	250.50	2.95	-42.71
CCN1C=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675935	1	25	-1.0	-45.66	250.44	2.93	-42.73
CN1N=CC=C1C1=NNC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675936	0	29	-1.0	-42.11	272.52	1.43	-40.68
CN1N=CC=C1C1=NNC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675936	1	29	-1.0	-42.10	272.58	1.44	-40.66
CN1C=C(C=CC(=O)OCC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL250004675937	0	32	-1.0	-54.78	288.03	3.44	-51.34
CN1C=C(C=CC(=O)OCC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL250004675937	1	32	-1.0	-54.79	288.09	3.45	-51.34
COC1=NSC(C=CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004675938	0	26	-1.0	-38.64	261.43	1.05	-37.59
COC1=NSC(C=CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004675938	1	26	-1.0	-38.65	261.49	1.07	-37.58
CCC(C(=O)OCC1=N[N-]N=N1)C1CCOCC1	REAL250004675939	0	35	-1.0	-39.19	273.23	3.33	-35.86
CCC(C(=O)OCC1=NN=N[N-]1)C1CCOCC1	REAL250004675939	1	35	-1.0	-39.19	273.29	3.34	-35.85
O=C(OCC1=N[N-]N=N1)C1=CSC(CC(F)(F)F)=N1	REAL250004675940	0	24	-1.0	-45.39	258.33	2.59	-42.80
O=C(OCC1=NN=N[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL250004675940	1	24	-1.0	-45.37	258.38	2.60	-42.77
O=C(CCC1CCC(=O)NC1)OCC1=N[N-]N=N1	REAL250004675941	0	32	-1.0	-42.13	271.87	1.55	-40.58
O=C(CCC1CCC(=O)NC1)OCC1=NN=N[N-]1	REAL250004675941	1	32	-1.0	-42.09	271.93	1.57	-40.52
O=C(OCC1=N[N-]N=N1)C1=COC2=C(F)C=C(F)C=C12	REAL250004675942	0	25	-1.0	-36.46	251.14	4.27	-32.19
O=C(OCC1=NN=N[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL250004675942	1	25	-1.0	-36.46	251.19	4.28	-32.18
CCC1=CC=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)N=C21	REAL250004675943	0	33	-1.0	-47.09	294.07	5.71	-41.38
CCC1=CC=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)N=C21	REAL250004675943	1	33	-1.0	-47.07	294.01	5.69	-41.38
CC1(C)CC(C(=O)OCC2=N[N-]N=N2)C1C(F)(F)F	REAL250004675944	0	31	-1.0	-36.73	270.83	4.74	-31.99
CC1(C)CC(C(=O)OCC2=NN=N[N-]2)C1C(F)(F)F	REAL250004675944	1	31	-1.0	-36.77	270.89	4.75	-32.02
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCNC2=O	REAL250004675945	0	30	-1.0	-43.30	269.83	2.23	-41.07
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL250004675945	1	30	-1.0	-43.29	269.88	2.25	-41.04
CC(C)N1CC(C(=O)OCC2=N[N-]N=N2)CCC1=O	REAL250004675946	0	35	-1.0	-37.56	286.07	3.60	-33.96
CC(C)N1CC(C(=O)OCC2=NN=N[N-]2)CCC1=O	REAL250004675946	1	35	-1.0	-37.59	286.13	3.61	-33.98
CCOC(=O)C1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675947	0	27	-1.0	-49.29	275.13	2.48	-46.81
CCOC(=O)C1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004675947	1	27	-1.0	-49.31	275.07	2.46	-46.85
C[C@@H](CC(=O)OCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004675948	0	34	-1.0	-39.90	293.30	4.37	-35.53
C[C@@H](CC(=O)OCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004675948	1	34	-1.0	-39.84	293.35	4.38	-35.46
O=C(CC1CCCC2(CCC2)O1)OCC1=N[N-]N=N1	REAL250004675949	0	36	-1.0	-40.58	292.31	5.06	-35.52
O=C(CC1CCCC2(CCC2)O1)OCC1=NN=N[N-]1	REAL250004675949	1	36	-1.0	-40.53	292.37	5.08	-35.45
O=C(OCC1=N[N-]N=N1)C1=CC=C2CNC(=O)C2=C1	REAL250004675950	0	27	-1.0	-46.07	252.48	1.26	-44.81
O=C(OCC1=NN=N[N-]1)C1=CC=C2CNC(=O)C2=C1	REAL250004675950	1	27	-1.0	-46.05	252.54	1.27	-44.78
O=C(OCC1=N[N-]N=N1)C1CNC(=O)CC12CCC2	REAL250004675951	0	33	-1.0	-38.66	264.80	1.56	-37.10
O=C(OCC1=NN=N[N-]1)C1CNC(=O)CC12CCC2	REAL250004675951	1	33	-1.0	-38.62	264.85	1.57	-37.05
COC1C[C@@H]2CC(C(=O)OCC3=N[N-]N=N3)C[C@H]12	REAL250004675952	0	33	-1.0	-37.09	273.17	3.53	-33.56
COC1C[C@@H]2CC(C(=O)OCC3=NN=N[N-]3)C[C@H]12	REAL250004675952	1	33	-1.0	-37.06	273.23	3.55	-33.51
CC1=CC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C2O1	REAL250004675953	0	28	-1.0	-41.80	257.32	4.86	-36.94
CC1=CC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C2O1	REAL250004675953	1	28	-1.0	-41.81	257.37	4.87	-36.94
CC1(C)C2CCC1(CC(=O)OCC1=N[N-]N=N1)CC2	REAL250004675954	0	38	-1.0	-36.99	286.98	5.74	-31.25
CC1(C)C2CCC1(CC(=O)OCC1=NN=N[N-]1)CC2	REAL250004675954	1	38	-1.0	-37.00	287.04	5.76	-31.24
O=C(CN1C=C(C2CCOC2)C=N1)OCC1=NN=N[N-]1	REAL250004675955	0	33	-1.0	-43.12	289.68	2.67	-40.45
O=C(CN1C=C(C2CCOC2)C=N1)OCC1=N[N-]N=N1	REAL250004675955	1	33	-1.0	-43.13	289.62	2.66	-40.47
O=C(OCC1=N[N-]N=N1)C1CCC2(CCC2)CC1	REAL250004675956	0	35	-1.0	-36.63	278.55	5.75	-30.88
O=C(OCC1=NN=N[N-]1)C1CCC2(CCC2)CC1	REAL250004675956	1	35	-1.0	-36.66	278.61	5.77	-30.89
CCC1=CC2=C(OCC2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675957	0	33	-1.0	-44.70	288.11	5.63	-39.07
CCC1=CC2=C(OCC2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675957	1	33	-1.0	-44.67	288.17	5.64	-39.03
O=C(OCC1=NN=N[N-]1)C1=C2C=CSC2=CC=C1	REAL250004675958	0	25	-1.0	-39.67	242.99	5.00	-34.67
O=C(OCC1=N[N-]N=N1)C1=C2C=CSC2=CC=C1	REAL250004675958	1	25	-1.0	-39.67	242.93	4.98	-34.69
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CS1	REAL250004675959	0	22	-1.0	-36.18	241.28	3.85	-32.33
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CS1	REAL250004675959	1	22	-1.0	-36.16	241.33	3.87	-32.29
O=C(OCC1=N[N-]N=N1)C1=CC=CC(OCC2CC2)=C1	REAL250004675960	0	33	-1.0	-39.63	293.29	5.59	-34.04
O=C(OCC1=NN=N[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL250004675960	1	33	-1.0	-39.64	293.34	5.60	-34.04
CSC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=C1	REAL250004675961	0	26	-1.0	-37.97	262.85	5.17	-32.80
CSC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=C1	REAL250004675961	1	26	-1.0	-37.98	262.91	5.18	-32.80
CC(F)(F)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675962	0	28	-1.0	-38.66	263.48	5.30	-33.36
CC(F)(F)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675962	1	28	-1.0	-38.65	263.53	5.32	-33.33
O=C(OCC1=N[N-]N=N1)C1=CC=C2C=CSC2=C1	REAL250004675963	0	25	-1.0	-38.82	247.18	5.13	-33.69
O=C(OCC1=NN=N[N-]1)C1=CC=C2C=CSC2=C1	REAL250004675963	1	25	-1.0	-38.85	247.24	5.15	-33.70
CN1C=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL250004675964	0	32	-1.0	-43.01	295.63	2.70	-40.31
CN1C=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL250004675964	1	32	-1.0	-42.99	295.69	2.71	-40.28
CC1=NC=C2CC(C(=O)OCC3=N[N-]N=N3)CCC2=N1	REAL250004675965	0	33	-1.0	-38.17	284.27	4.19	-33.98
CC1=NC=C2CC(C(=O)OCC3=NN=N[N-]3)CCC2=N1	REAL250004675965	1	33	-1.0	-38.19	284.32	4.20	-33.99
CC1=C(CC(=O)OCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004675966	0	28	-1.0	-40.35	273.11	4.33	-36.02
CC1=C(CC(=O)OCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004675966	1	28	-1.0	-40.36	273.17	4.34	-36.02
CCC1=NC=C2CC(C(=O)OCC3=N[N-]N=N3)CCC2=N1	REAL250004675967	0	36	-1.0	-38.12	305.75	4.79	-33.33
CCC1=NC=C2CC(C(=O)OCC3=NN=N[N-]3)CCC2=N1	REAL250004675967	1	36	-1.0	-38.12	305.81	4.81	-33.31
CC1=CN(CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)N=C1	REAL250004675968	0	35	-1.0	-42.92	315.99	6.13	-36.79
CC1=CN(CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)N=C1	REAL250004675968	1	35	-1.0	-42.96	315.93	6.11	-36.85
O=C(OCC1=N[N-]N=N1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004675969	0	36	-1.0	-38.41	288.01	5.67	-32.74
O=C(OCC1=NN=N[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL250004675969	1	36	-1.0	-38.38	288.07	5.68	-32.70
O=C(OCC1=N[N-]N=N1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004675970	0	36	-1.0	-39.63	300.61	5.93	-33.70
O=C(OCC1=NN=N[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL250004675970	1	36	-1.0	-39.65	300.66	5.95	-33.70
CC1(C(=O)OCC2=N[N-]N=N2)CCCNS1(=O)=O	REAL250004675971	0	30	-1.0	-50.30	263.69	-1.51	-51.81
CC1(C(=O)OCC2=NN=N[N-]2)CCCNS1(=O)=O	REAL250004675971	1	30	-1.0	-50.25	263.75	-1.50	-51.75
O=C(CCC=CBr)OCC1=N[N-]N=N1	REAL250004675972	0	22	-1.0	-36.50	228.19	3.62	-32.88
O=C(CCC=CBr)OCC1=NN=N[N-]1	REAL250004675972	1	22	-1.0	-36.49	228.24	3.63	-32.86
CN1C=CC(C23CC(CC2)C3C(=O)OCC2=NN=N[N-]2)=N1	REAL250004675973	0	36	-1.0	-45.87	304.09	5.22	-40.65
CN1C=CC(C23CC(CC2)C3C(=O)OCC2=N[N-]N=N2)=N1	REAL250004675973	1	36	-1.0	-45.89	304.04	5.20	-40.69
CC1=CC(F)=CC(C(C)C(=O)OCC2=N[N-]N=N2)=C1	REAL250004675974	0	31	-1.0	-39.10	277.31	5.79	-33.31
CC1=CC(F)=CC(C(C)C(=O)OCC2=NN=N[N-]2)=C1	REAL250004675974	1	31	-1.0	-39.09	277.36	5.80	-33.29
O=C(COC1=CC=CC=C1C(F)F)OCC1=N[N-]N=N1	REAL250004675975	0	29	-1.0	-41.46	271.29	5.02	-36.44
O=C(COC1=CC=CC=C1C(F)F)OCC1=NN=N[N-]1	REAL250004675975	1	29	-1.0	-41.46	271.34	5.03	-36.43
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004675976	0	29	-1.0	-42.64	270.12	5.98	-36.66
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL250004675976	1	29	-1.0	-42.63	270.17	6.00	-36.63
CC1=NC(C2CC2)=NC=C1C(=O)OCC1=N[N-]N=N1	REAL250004675977	0	30	-1.0	-36.38	269.01	3.97	-32.41
CC1=NC(C2CC2)=NC=C1C(=O)OCC1=NN=N[N-]1	REAL250004675977	1	30	-1.0	-36.37	269.07	3.99	-32.38
CC1=NN=C(CCC(=O)OCC2=N[N-]N=N2)N1C	REAL250004675978	0	30	-1.0	-44.86	269.21	4.20	-40.66
CC1=NN=C(CCC(=O)OCC2=NN=N[N-]2)N1C	REAL250004675978	1	30	-1.0	-44.82	269.27	4.22	-40.60
O=C(OCC1=N[N-]N=N1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004675979	0	33	-1.0	-38.17	263.34	3.32	-34.85
O=C(OCC1=NN=N[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250004675979	1	33	-1.0	-38.17	263.40	3.33	-34.84
O=C(OCC1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL250004675980	0	30	-1.0	-38.11	253.11	5.10	-33.01
O=C(OCC1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL250004675980	1	30	-1.0	-38.10	253.17	5.11	-32.99
O=C(OCC1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL250004675981	0	32	-1.0	-39.72	284.14	4.68	-35.04
O=C(OCC1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL250004675981	1	32	-1.0	-39.72	284.09	4.66	-35.06
O=C(OCC1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL250004675982	0	37	-1.0	-39.51	293.48	3.15	-36.36
O=C(OCC1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL250004675982	1	37	-1.0	-39.53	293.54	3.17	-36.36
O=C(OCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004675983	0	33	-1.0	-40.32	291.06	6.55	-33.77
O=C(OCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL250004675983	1	33	-1.0	-40.34	291.12	6.57	-33.77
O=C(OCC1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004675984	0	28	-1.0	-50.28	269.75	-3.05	-53.33
O=C(OCC1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL250004675984	1	28	-1.0	-50.27	269.69	-3.07	-53.34
O=C(OCC1=N[N-]N=N1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004675985	0	29	-1.0	-38.79	251.31	4.81	-33.98
O=C(OCC1=NN=N[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250004675985	1	29	-1.0	-38.82	251.37	4.82	-34.00
O=C(C=CC1=CC=C([N+](=O)[O-])S1)OCC1=N[N-]N=N1	REAL250004675986	0	25	-1.0	-41.56	262.28	4.96	-36.60
O=C(C=CC1=CC=C([N+](=O)[O-])S1)OCC1=NN=N[N-]1	REAL250004675986	1	25	-1.0	-41.55	262.34	4.98	-36.57
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL250004675987	0	30	-1.0	-43.79	270.15	1.21	-42.58
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL250004675987	1	30	-1.0	-43.78	270.21	1.22	-42.56
CCC1=NN(C)C(C(=O)OCC2=N[N-]N=N2)=C1Cl	REAL250004675988	0	28	-1.0	-34.95	267.65	3.39	-31.56
CCC1=NN(C)C(C(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004675988	1	28	-1.0	-34.91	267.71	3.40	-31.51
O=C(OCC1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL250004675989	0	29	-1.0	-45.96	264.12	1.96	-44.00
O=C(OCC1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL250004675989	1	29	-1.0	-46.01	264.06	1.94	-44.07
CCC1=C(C(=O)OCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL250004675990	0	28	-1.0	-42.12	276.86	4.50	-37.62
CCC1=C(C(=O)OCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL250004675990	1	28	-1.0	-42.10	276.91	4.51	-37.59
O=C(OCC1=N[N-]N=N1)C1(C2CCCCO2)CC1	REAL250004675991	0	33	-1.0	-39.71	272.26	3.78	-35.93
O=C(OCC1=NN=N[N-]1)C1(C2CCCCO2)CC1	REAL250004675991	1	33	-1.0	-39.73	272.32	3.79	-35.94
CC1(C)OCC2=C1NN=C2C(=O)OCC1=N[N-]N=N1	REAL250004675992	0	30	-1.0	-42.15	268.76	0.84	-41.31
CC1(C)OCC2=C1NN=C2C(=O)OCC1=NN=N[N-]1	REAL250004675992	1	30	-1.0	-42.18	268.82	0.86	-41.32
O=C(OCC1=N[N-]N=N1)C1=NNC(C2CCOCC2)=C1	REAL250004675993	0	33	-1.0	-42.78	286.07	1.71	-41.07
O=C(OCC1=NN=N[N-]1)C1=NNC(C2CCOCC2)=C1	REAL250004675993	1	33	-1.0	-42.81	286.12	1.72	-41.09
O=C(OCC1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL250004675994	0	32	-1.0	-39.89	277.47	4.27	-35.62
O=C(OCC1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL250004675994	1	32	-1.0	-39.87	277.42	4.25	-35.62
CC(C)(C)OC(=O)C1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004675995	0	40	-1.0	-38.46	321.43	6.14	-32.32
CC(C)(C)OC(=O)C1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004675995	1	40	-1.0	-38.46	321.49	6.15	-32.31
O=C(OCC1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL250004675996	0	28	-1.0	-43.62	260.46	3.90	-39.72
O=C(OCC1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL250004675996	1	28	-1.0	-43.62	260.52	3.92	-39.70
O=C(CCN1C=CC2=CC=CN=C21)OCC1=NN=N[N-]1	REAL250004675997	0	31	-1.0	-42.09	281.60	5.74	-36.35
O=C(CCN1C=CC2=CC=CN=C21)OCC1=N[N-]N=N1	REAL250004675997	1	31	-1.0	-42.10	281.54	5.73	-36.37
CCCC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004675998	0	27	-1.0	-44.13	260.82	2.97	-41.16
CCCC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004675998	1	27	-1.0	-44.13	260.88	2.99	-41.14
CC1=NN(C)C(C(=O)OCC2=N[N-]N=N2)=C1Cl	REAL250004675999	0	25	-1.0	-35.09	246.16	2.65	-32.44
CC1=NN(C)C(C(=O)OCC2=NN=N[N-]2)=C1Cl	REAL250004675999	1	25	-1.0	-35.10	246.22	2.67	-32.43
O=C(OCC1=NN=N[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004676000	0	25	-1.0	-45.65	256.49	4.04	-41.61
O=C(OCC1=N[N-]N=N1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL250004676000	1	25	-1.0	-45.66	256.44	4.03	-41.63
COC1=CC=NC(C(=O)OCC2=NN=N[N-]2)=C1F	REAL250004676001	0	25	-1.0	-46.17	240.25	1.35	-44.82
COC1=CC=NC(C(=O)OCC2=N[N-]N=N2)=C1F	REAL250004676001	1	25	-1.0	-46.19	240.20	1.33	-44.86
CC1=CC=C2C(=C1)C=CN2CCC(=O)OCC1=N[N-]N=N1	REAL250004676002	0	35	-1.0	-38.87	308.00	7.22	-31.65
CC1=CC=C2C(=C1)C=CN2CCC(=O)OCC1=NN=N[N-]1	REAL250004676002	1	35	-1.0	-38.84	308.05	7.23	-31.61
COC1=CC=C(C(C)=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676003	0	33	-1.0	-39.25	290.97	5.00	-34.25
COC1=CC=C(C(C)=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676003	1	33	-1.0	-39.25	291.03	5.01	-34.24
COCC1=CN=C(OC)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676004	0	32	-1.0	-41.97	290.46	0.96	-41.01
COCC1=CN=C(OC)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676004	1	32	-1.0	-41.95	290.40	0.95	-41.00
O=C(CN1N=NC(C2CC2)=N1)OCC1=N[N-]N=N1	REAL250004676005	0	27	-1.0	-41.54	256.15	2.13	-39.41
O=C(CN1N=NC(C2CC2)=N1)OCC1=NN=N[N-]1	REAL250004676005	1	27	-1.0	-41.49	256.21	2.14	-39.35
CC1(C)OC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2O1	REAL250004676006	0	31	-1.0	-37.93	278.41	4.06	-33.87
CC1(C)OC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2O1	REAL250004676006	1	31	-1.0	-37.92	278.46	4.07	-33.85
COC1=CC2=C(OCC2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676007	0	31	-1.0	-43.18	274.71	3.46	-39.72
COC1=CC2=C(OCC2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676007	1	31	-1.0	-43.21	274.77	3.48	-39.73
CC1=CC(=O)N(CCC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676008	0	30	-1.0	-45.36	274.26	3.97	-41.39
CC1=CC(=O)N(CCC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676008	1	30	-1.0	-45.33	274.31	3.98	-41.35
CC1=CSC2=C(C(=O)OCC3=NN=N[N-]3)N=CN=C12	REAL250004676009	0	26	-1.0	-41.47	257.43	3.67	-37.80
CC1=CSC2=C(C(=O)OCC3=N[N-]N=N3)N=CN=C12	REAL250004676009	1	26	-1.0	-41.48	257.38	3.66	-37.82
CC(=CC1=CC=C(F)C(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676010	0	29	-1.0	-38.16	269.72	5.64	-32.52
CC(=CC1=CC=C(F)C(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676010	1	29	-1.0	-38.16	269.77	5.65	-32.51
O=C(C=CCOC1=CC=CC=C1)OCC1=N[N-]N=N1	REAL250004676011	0	30	-1.0	-39.86	275.66	4.74	-35.12
O=C(C=CCOC1=CC=CC=C1)OCC1=NN=N[N-]1	REAL250004676011	1	30	-1.0	-39.86	275.72	4.75	-35.11
C[C@H](C(=O)OCC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL250004676012	0	31	-1.0	-38.94	275.52	3.71	-35.23
C[C@H](C(=O)OCC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL250004676012	1	31	-1.0	-38.89	275.58	3.73	-35.16
CC1=CN(C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)N=C1	REAL250004676013	0	32	-1.0	-44.66	290.60	5.66	-39.00
CC1=CN(C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)N=C1	REAL250004676013	1	32	-1.0	-44.66	290.54	5.64	-39.02
CC(CC1=CC=C(F)C(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676014	0	31	-1.0	-38.23	283.03	5.94	-32.29
CC(CC1=CC=C(F)C(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676014	1	31	-1.0	-38.20	283.09	5.95	-32.25
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=CC(F)=CC=C21	REAL250004676015	0	28	-1.0	-39.20	258.13	5.97	-33.23
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL250004676015	1	28	-1.0	-39.19	258.19	5.99	-33.20
O=C(OCC1=NN=N[N-]1)C1=CC=NN1C1CC1(F)F	REAL250004676016	0	26	-1.0	-36.51	252.23	3.53	-32.98
O=C(OCC1=N[N-]N=N1)C1=CC=NN1C1CC1(F)F	REAL250004676016	1	26	-1.0	-36.55	252.18	3.52	-33.03
CC(C)(C)O[C@H]1C[C@@H](C(=O)OCC2=N[N-]N=N2)C1	REAL250004676017	0	35	-1.0	-38.91	289.67	3.98	-34.93
CC(C)(C)O[C@H]1C[C@@H](C(=O)OCC2=NN=N[N-]2)C1	REAL250004676017	1	35	-1.0	-38.91	289.72	3.99	-34.92
CC1=CC(CC2(C(=O)OCC3=N[N-]N=N3)CC2)=CC=C1F	REAL250004676018	0	35	-1.0	-44.65	293.10	7.03	-37.62
CC1=CC(CC2(C(=O)OCC3=NN=N[N-]3)CC2)=CC=C1F	REAL250004676018	1	35	-1.0	-44.64	293.14	7.05	-37.59
CC1=CC(F)=CC=C1CC1(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676019	0	35	-1.0	-44.30	283.82	6.74	-37.56
CC1=CC(F)=CC=C1CC1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676019	1	35	-1.0	-44.30	283.87	6.77	-37.53
O=C(OCC1=N[N-]N=N1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004676020	0	35	-1.0	-39.14	292.86	6.77	-32.37
O=C(OCC1=NN=N[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL250004676020	1	35	-1.0	-39.15	292.92	6.79	-32.36
COC(=O)C1=NC=CC=C1CCC(=O)OCC1=NN=N[N-]1	REAL250004676021	0	33	-1.0	-44.68	295.56	3.98	-40.70
COC(=O)C1=NC=CC=C1CCC(=O)OCC1=N[N-]N=N1	REAL250004676021	1	33	-1.0	-44.71	295.50	3.97	-40.74
CNC(=O)C1=CN=CC(C=CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004676022	0	32	-1.0	-44.18	293.68	1.53	-42.65
CNC(=O)C1=CN=CC(C=CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004676022	1	32	-1.0	-44.17	293.74	1.55	-42.62
O=C(C=CC1=CC=NC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004676023	0	25	-1.0	-38.49	254.38	3.71	-34.78
O=C(C=CC1=CC=NC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004676023	1	25	-1.0	-38.50	254.43	3.73	-34.77
O=C(C=CC1=CC=NC2=CC=CC=C12)OCC1=N[N-]N=N1	REAL250004676024	0	31	-1.0	-40.50	281.21	5.34	-35.16
O=C(C=CC1=CC=NC2=CC=CC=C12)OCC1=NN=N[N-]1	REAL250004676024	1	31	-1.0	-40.55	281.27	5.35	-35.20
CC(=CC1=CC=C(F)C(F)=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676025	0	29	-1.0	-38.16	269.72	5.64	-32.52
CC(=CC1=CC=C(F)C(F)=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676025	1	29	-1.0	-38.16	269.77	5.65	-32.51
CC(=CC1=CC=CS1)C(=O)OCC1=N[N-]N=N1	REAL250004676026	0	26	-1.0	-38.95	246.53	4.63	-34.32
CC(=CC1=CC=CS1)C(=O)OCC1=NN=N[N-]1	REAL250004676026	1	26	-1.0	-38.96	246.59	4.64	-34.32
COC1=CSC(C(=O)OCC2=N[N-]N=N2)=C1OC	REAL250004676027	0	27	-1.0	-41.16	261.86	2.41	-38.75
COC1=CSC(C(=O)OCC2=NN=N[N-]2)=C1OC	REAL250004676027	1	27	-1.0	-41.15	261.92	2.43	-38.72
CSC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL250004676028	0	29	-1.0	-37.79	288.96	6.07	-31.72
CSC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004676028	1	29	-1.0	-37.78	289.02	6.08	-31.70
CC1=CC2=NC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004676029	0	30	-1.0	-40.98	272.94	4.82	-36.16
CC1=CC2=NC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004676029	1	30	-1.0	-40.97	273.00	4.83	-36.14
COC1=C(F)C=CC(C(=O)OCC2=N[N-]N=N2)=C1F	REAL250004676030	0	26	-1.0	-37.83	254.28	3.29	-34.54
COC1=C(F)C=CC(C(=O)OCC2=NN=N[N-]2)=C1F	REAL250004676030	1	26	-1.0	-37.79	254.34	3.30	-34.49
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL250004676031	0	28	-1.0	-39.74	264.50	3.60	-36.14
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C2=COC=C2)=C1	REAL250004676031	1	28	-1.0	-39.76	264.44	3.59	-36.17
CC1(C)C(C(=O)OCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004676032	0	31	-1.0	-44.19	268.65	0.74	-43.45
CC1(C)C(C(=O)OCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004676032	1	31	-1.0	-44.21	268.71	0.76	-43.45
CCCC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676033	0	34	-1.0	-38.14	296.80	6.78	-31.36
CCCC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676033	1	34	-1.0	-38.12	296.86	6.80	-31.32
CC(C)N1C=CC(C(=O)OCC2=N[N-]N=N2)=CC1=O	REAL250004676034	0	31	-1.0	-41.44	273.65	3.92	-37.52
CC(C)N1C=CC(C(=O)OCC2=NN=N[N-]2)=CC1=O	REAL250004676034	1	31	-1.0	-41.41	273.71	3.94	-37.47
O=C(CCCCN1C(=O)CCC1=O)OCC1=N[N-]N=N1	REAL250004676035	0	34	-1.0	-45.73	302.15	3.60	-42.13
O=C(CCCCN1C(=O)CCC1=O)OCC1=NN=N[N-]1	REAL250004676035	1	34	-1.0	-45.67	302.20	3.61	-42.06
CC(C(=O)OCC1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL250004676036	0	34	-1.0	-38.77	290.59	6.17	-32.60
CC(C(=O)OCC1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL250004676036	1	34	-1.0	-38.80	290.65	6.19	-32.61
C=CC1(CC(=O)OCC2=N[N-]N=N2)CCOCC1	REAL250004676037	0	33	-1.0	-37.19	260.53	2.92	-34.27
C=CC1(CC(=O)OCC2=NN=N[N-]2)CCOCC1	REAL250004676037	1	33	-1.0	-37.19	260.58	2.94	-34.25
CCCCC1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004676038	0	30	-1.0	-44.14	282.32	3.76	-40.38
CCCCC1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004676038	1	30	-1.0	-44.14	282.38	3.77	-40.37
CN1C=CC(N2C=NC(C(=O)OCC3=NN=N[N-]3)=C2)=N1	REAL250004676039	0	29	-1.0	-50.88	275.56	5.03	-45.85
CN1C=CC(N2C=NC(C(=O)OCC3=N[N-]N=N3)=C2)=N1	REAL250004676039	1	29	-1.0	-50.92	275.50	5.02	-45.90
O=C(CF)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676040	0	27	-1.0	-41.62	259.06	4.41	-37.21
O=C(CF)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676040	1	27	-1.0	-41.62	259.12	4.43	-37.19
CN(CC(=O)OCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL250004676041	0	31	-1.0	-41.00	289.44	4.01	-36.99
CN(CC(=O)OCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL250004676041	1	31	-1.0	-40.99	289.49	4.03	-36.96
CC(=CC1=CC=C(F)C=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676042	0	29	-1.0	-38.14	263.42	5.59	-32.55
CC(=CC1=CC=C(F)C=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676042	1	29	-1.0	-38.11	263.48	5.60	-32.51
CC1(C)CCC(C)(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676043	0	37	-1.0	-37.33	281.68	5.30	-32.03
CC1(C)CCC(C)(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676043	1	37	-1.0	-37.31	281.74	5.31	-32.00
CCC1=NC2=CC=CC=C2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676044	0	33	-1.0	-38.58	286.32	5.29	-33.29
CCC1=NC2=CC=CC=C2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676044	1	33	-1.0	-38.59	286.37	5.31	-33.28
N#CC1(C(=O)OCC2=N[N-]N=N2)CC1C(F)(F)F	REAL250004676045	0	23	-1.0	-42.33	232.88	3.40	-38.93
N#CC1(C(=O)OCC2=NN=N[N-]2)CC1C(F)(F)F	REAL250004676045	1	23	-1.0	-42.35	232.94	3.42	-38.93
O=C(OCC1=N[N-]N=N1)C1=C(Cl)C=CC2=C1OCO2	REAL250004676046	0	25	-1.0	-43.52	253.83	2.94	-40.58
O=C(OCC1=NN=N[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL250004676046	1	25	-1.0	-43.51	253.88	2.96	-40.55
O=C(OCC1=N[N-]N=N1)C12CC(F)(F)CC1CCCC2	REAL250004676047	0	35	-1.0	-41.36	277.06	5.70	-35.66
O=C(OCC1=NN=N[N-]1)C12CC(F)(F)CC1CCCC2	REAL250004676047	1	35	-1.0	-41.36	277.12	5.72	-35.64
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004676048	0	33	-1.0	-43.79	292.36	5.73	-38.06
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004676048	1	33	-1.0	-43.78	292.41	5.75	-38.03
CCC1=C(C(=O)OCC2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL250004676049	0	36	-1.0	-43.85	313.67	6.45	-37.40
CCC1=C(C(=O)OCC2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL250004676049	1	36	-1.0	-43.80	313.73	6.47	-37.33
O=C(OCC1=N[N-]N=N1)C12CCOC1CCOC2	REAL250004676050	0	31	-1.0	-45.01	253.98	2.05	-42.96
O=C(OCC1=NN=N[N-]1)C12CCOC1CCOC2	REAL250004676050	1	31	-1.0	-44.98	254.04	2.06	-42.92
CC(=O)CC1(C(=O)OCC2=N[N-]N=N2)CCCC1	REAL250004676051	0	33	-1.0	-44.49	273.75	4.80	-39.69
CC(=O)CC1(C(=O)OCC2=NN=N[N-]2)CCCC1	REAL250004676051	1	33	-1.0	-44.48	273.81	4.81	-39.67
O=C(OCC1=N[N-]N=N1)C(C1CC1)C1CCCO1	REAL250004676052	0	33	-1.0	-36.27	273.80	4.15	-32.12
O=C(OCC1=NN=N[N-]1)C(C1CC1)C1CCCO1	REAL250004676052	1	33	-1.0	-36.22	273.85	4.16	-32.06
CCC1=CN2C(=N1)C=CC=C2C(=O)OCC1=N[N-]N=N1	REAL250004676053	0	31	-1.0	-43.11	276.38	5.49	-37.62
CCC1=CN2C(=N1)C=CC=C2C(=O)OCC1=NN=N[N-]1	REAL250004676053	1	31	-1.0	-43.12	276.44	5.50	-37.62
CCOC(=O)C12CC(C(=O)OCC3=N[N-]N=N3)(C1)OC2	REAL250004676054	0	33	-1.0	-40.32	295.15	3.04	-37.28
CCOC(=O)C12CC(C(=O)OCC3=NN=N[N-]3)(C1)OC2	REAL250004676054	1	33	-1.0	-40.34	295.21	3.05	-37.29
CC1(C)CC(CC(=O)OCC2=N[N-]N=N2)CC(C)(C)O1	REAL250004676055	0	41	-1.0	-37.20	318.30	5.01	-32.19
CC1(C)CC(CC(=O)OCC2=NN=N[N-]2)CC(C)(C)O1	REAL250004676055	1	41	-1.0	-37.19	318.35	5.03	-32.16
O=C(CC1CCN2C=NC=C2C1)OCC1=N[N-]N=N1	REAL250004676056	0	32	-1.0	-43.57	271.03	5.40	-38.17
O=C(CC1CCN2C=NC=C2C1)OCC1=NN=N[N-]1	REAL250004676056	1	32	-1.0	-43.56	271.08	5.41	-38.15
O=C(CCCCCN1C=NN=N1)OCC1=NN=N[N-]1	REAL250004676057	0	32	-1.0	-48.57	287.89	4.09	-44.48
O=C(CCCCCN1C=NN=N1)OCC1=N[N-]N=N1	REAL250004676057	1	32	-1.0	-48.53	287.83	4.08	-44.45
O=C(CCC1=NC=C(F)C=N1)OCC1=N[N-]N=N1	REAL250004676058	0	26	-1.0	-38.44	250.22	2.63	-35.81
O=C(CCC1=NC=C(F)C=N1)OCC1=NN=N[N-]1	REAL250004676058	1	26	-1.0	-38.41	250.28	2.64	-35.77
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(=O)NCC2=C1	REAL250004676059	0	29	-1.0	-41.23	264.56	0.86	-40.37
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL250004676059	1	29	-1.0	-41.19	264.62	0.88	-40.31
CN1N=C(C(=O)OCC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL250004676060	0	28	-1.0	-46.41	266.41	3.86	-42.55
CN1N=C(C(=O)OCC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL250004676060	1	28	-1.0	-46.40	266.35	3.85	-42.55
O=C(OCC1=N[N-]N=N1)C1=COC2=C1CS(=O)(=O)C2	REAL250004676061	0	26	-1.0	-44.95	258.26	-0.26	-45.21
O=C(OCC1=NN=N[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL250004676061	1	26	-1.0	-44.97	258.32	-0.25	-45.22
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CCOC2)C=C1	REAL250004676062	0	33	-1.0	-39.40	285.00	4.38	-35.02
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL250004676062	1	33	-1.0	-39.40	285.06	4.40	-35.00
O=C(OCC1=N[N-]N=N1)C1=CN=CC2=C1CCCC2	REAL250004676063	0	31	-1.0	-39.71	262.39	4.33	-35.38
O=C(OCC1=NN=N[N-]1)C1=CN=CC2=C1CCCC2	REAL250004676063	1	31	-1.0	-39.71	262.45	4.34	-35.37
CC1=CC=CN2N=CC(C(=O)OCC3=NN=N[N-]3)=C12	REAL250004676064	0	28	-1.0	-45.63	250.33	4.00	-41.63
CC1=CC=CN2N=CC(C(=O)OCC3=N[N-]N=N3)=C12	REAL250004676064	1	28	-1.0	-45.61	250.28	3.98	-41.63
C=CCNC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676065	0	33	-1.0	-39.52	300.98	3.46	-36.06
C=CCNC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676065	1	33	-1.0	-39.54	301.04	3.48	-36.06
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004676066	0	31	-1.0	-41.12	291.06	5.66	-35.46
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL250004676066	1	31	-1.0	-41.11	291.01	5.65	-35.46
CC1=C2N=C(C(=O)OCC3=NN=N[N-]3)C=CN2N=C1	REAL250004676067	0	27	-1.0	-44.18	255.37	3.35	-40.83
CC1=C2N=C(C(=O)OCC3=N[N-]N=N3)C=CN2N=C1	REAL250004676067	1	27	-1.0	-44.16	255.31	3.34	-40.82
O=C(OCC1=NN=N[N-]1)C1=C2SN=CC2=CC=C1	REAL250004676068	0	24	-1.0	-44.36	240.32	3.90	-40.46
O=C(OCC1=N[N-]N=N1)C1=C2SN=CC2=CC=C1	REAL250004676068	1	24	-1.0	-44.40	240.26	3.88	-40.52
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)F)C=N1	REAL250004676069	0	24	-1.0	-42.26	240.31	2.90	-39.36
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)F)C=N1	REAL250004676069	1	24	-1.0	-42.25	240.26	2.88	-39.37
O=C(OCC1=N[N-]N=N1)C1=C2SC=CC2=C(F)C=C1	REAL250004676070	0	25	-1.0	-37.48	251.08	5.12	-32.36
O=C(OCC1=NN=N[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL250004676070	1	25	-1.0	-37.44	251.14	5.13	-32.31
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL250004676071	0	35	-1.0	-39.65	307.67	7.90	-31.75
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL250004676071	1	35	-1.0	-39.65	307.73	7.92	-31.73
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676072	0	35	-1.0	-42.64	300.44	7.71	-34.93
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676072	1	35	-1.0	-42.68	300.50	7.73	-34.95
COC1=CC(OC)=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676073	0	30	-1.0	-42.30	281.01	2.82	-39.48
COC1=CC(OC)=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676073	1	30	-1.0	-42.30	281.07	2.83	-39.47
O=C(OCC1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL250004676074	0	28	-1.0	-43.96	256.59	3.56	-40.40
O=C(OCC1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL250004676074	1	28	-1.0	-43.94	256.64	3.58	-40.36
O=C(OCC1=N[N-]N=N1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004676075	0	37	-1.0	-38.58	301.34	7.59	-30.99
O=C(OCC1=NN=N[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL250004676075	1	37	-1.0	-38.57	301.40	7.61	-30.96
CC1(C)CCC(F)(F)CC1C(=O)OCC1=N[N-]N=N1	REAL250004676076	0	34	-1.0	-37.96	270.51	4.85	-33.11
CC1(C)CCC(F)(F)CC1C(=O)OCC1=NN=N[N-]1	REAL250004676076	1	34	-1.0	-37.98	270.57	4.86	-33.12
CC1=C(C#N)C(C(=O)OCC2=N[N-]N=N2)=C(C)S1	REAL250004676077	0	26	-1.0	-45.61	263.84	4.62	-40.99
CC1=C(C#N)C(C(=O)OCC2=NN=N[N-]2)=C(C)S1	REAL250004676077	1	26	-1.0	-45.60	263.89	4.64	-40.96
CC1=CC=C(C(=O)OCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL250004676078	0	27	-1.0	-46.96	256.04	5.44	-41.52
CC1=CC=C(C(=O)OCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL250004676078	1	27	-1.0	-46.97	256.09	5.45	-41.52
O=C(OCC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004676079	0	34	-1.0	-45.02	308.92	6.42	-38.60
O=C(OCC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL250004676079	1	34	-1.0	-45.04	308.87	6.40	-38.64
O=C(OCC1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL250004676080	0	21	-1.0	-33.98	237.82	2.17	-31.81
O=C(OCC1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL250004676080	1	21	-1.0	-33.97	237.76	2.16	-31.81
CC1CCC(CC(=O)OCC2=N[N-]N=N2)CC1C	REAL250004676081	0	37	-1.0	-36.85	290.30	5.85	-31.00
CC1CCC(CC(=O)OCC2=NN=N[N-]2)CC1C	REAL250004676081	1	37	-1.0	-36.88	290.36	5.86	-31.02
O=C(OCC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1C2	REAL250004676082	0	32	-1.0	-37.76	263.76	5.01	-32.75
O=C(OCC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL250004676082	1	32	-1.0	-37.72	263.82	5.02	-32.70
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1CC(F)(F)F	REAL250004676083	0	28	-1.0	-40.70	261.02	5.30	-35.40
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL250004676083	1	28	-1.0	-40.67	261.08	5.31	-35.36
O=C(OCC1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL250004676084	0	26	-1.0	-43.23	241.99	2.22	-41.01
O=C(OCC1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL250004676084	1	26	-1.0	-43.25	241.94	2.20	-41.05
O=C(OCC1=NN=N[N-]1)C1CCCN1C1=CN=CC=N1	REAL250004676085	0	32	-1.0	-42.94	279.43	2.28	-40.66
O=C(OCC1=N[N-]N=N1)C1CCCN1C1=CN=CC=N1	REAL250004676085	1	32	-1.0	-42.91	279.37	2.27	-40.64
CCOC(=O)C1(C(=O)OCC2=N[N-]N=N2)CC2(CCC2)C1	REAL250004676086	0	38	-1.0	-38.39	320.05	6.31	-32.08
CCOC(=O)C1(C(=O)OCC2=NN=N[N-]2)CC2(CCC2)C1	REAL250004676086	1	38	-1.0	-38.41	320.10	6.33	-32.08
CC(C)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1F	REAL250004676087	0	31	-1.0	-41.39	273.63	5.67	-35.72
CC(C)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1F	REAL250004676087	1	31	-1.0	-41.41	273.69	5.69	-35.72
CC(C)C1=CC=C(F)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676088	0	31	-1.0	-41.11	274.99	5.71	-35.40
CC(C)C1=CC=C(F)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676088	1	31	-1.0	-41.10	275.05	5.73	-35.37
O=C(OCC1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004676089	0	28	-1.0	-42.03	260.04	6.03	-36.00
O=C(OCC1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL250004676089	1	28	-1.0	-42.04	260.09	6.05	-35.99
CCC1(C(=O)OCC2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL250004676090	0	38	-1.0	-40.50	292.51	7.07	-33.43
CCC1(C(=O)OCC2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL250004676090	1	38	-1.0	-40.51	292.57	7.08	-33.43
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004676091	0	28	-1.0	-38.60	269.98	5.46	-33.14
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL250004676091	1	28	-1.0	-38.61	270.04	5.48	-33.13
O=C(OCC1=NN=N[N-]1)C1=CON=C1C1=CC=CC=C1	REAL250004676092	0	28	-1.0	-37.98	261.68	4.65	-33.33
O=C(OCC1=N[N-]N=N1)C1=CON=C1C1=CC=CC=C1	REAL250004676092	1	28	-1.0	-38.00	261.62	4.63	-33.37
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004676093	0	36	-1.0	-43.70	307.57	7.38	-36.32
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004676093	1	36	-1.0	-43.69	307.62	7.39	-36.30
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004676094	0	36	-1.0	-43.29	307.24	7.37	-35.92
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004676094	1	36	-1.0	-43.24	307.29	7.39	-35.85
CN1C(=O)N(CC(=O)OCC2=N[N-]N=N2)N=C1C1CC1	REAL250004676095	0	32	-1.0	-47.80	293.29	4.35	-43.45
CN1C(=O)N(CC(=O)OCC2=NN=N[N-]2)N=C1C1CC1	REAL250004676095	1	32	-1.0	-47.78	293.35	4.36	-43.42
CCN1C(C)=NN(CC(=O)OCC2=N[N-]N=N2)C1=O	REAL250004676096	0	31	-1.0	-49.19	283.18	3.80	-45.39
CCN1C(C)=NN(CC(=O)OCC2=NN=N[N-]2)C1=O	REAL250004676096	1	31	-1.0	-49.19	283.24	3.81	-45.38
CC(C)(C)C1=NC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004676097	0	30	-1.0	-37.93	271.12	1.42	-36.51
CC(C)(C)C1=NC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004676097	1	30	-1.0	-37.94	271.07	1.41	-36.53
CC(C)(C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004676098	0	31	-1.0	-36.88	278.01	5.58	-31.30
CC(C)(C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004676098	1	31	-1.0	-36.84	278.07	5.60	-31.24
COCC1(C(=O)OCC2=N[N-]N=N2)CC=CCC1	REAL250004676099	0	33	-1.0	-40.39	271.81	4.09	-36.30
COCC1(C(=O)OCC2=NN=N[N-]2)CC=CCC1	REAL250004676099	1	33	-1.0	-40.41	271.87	4.11	-36.30
O=C(OCC1=N[N-]N=N1)C1CCOCC12CCCCC2	REAL250004676100	0	39	-1.0	-38.54	278.61	3.91	-34.63
O=C(OCC1=NN=N[N-]1)C1CCOCC12CCCCC2	REAL250004676100	1	39	-1.0	-38.54	278.63	3.91	-34.63
CC(F)(F)C(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004676101	0	31	-1.0	-42.93	276.63	5.77	-37.16
CC(F)(F)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004676101	1	31	-1.0	-42.93	276.69	5.79	-37.14
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCOC1	REAL250004676102	0	33	-1.0	-41.70	277.88	4.16	-37.54
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCOC1	REAL250004676102	1	33	-1.0	-41.72	277.94	4.17	-37.55
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)OCC1=N[N-]N=N1	REAL250004676103	0	32	-1.0	-37.12	295.92	5.86	-31.26
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)OCC1=NN=N[N-]1	REAL250004676103	1	32	-1.0	-37.13	295.98	5.87	-31.26
CC1=CC=C(OC(C)C(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004676104	0	35	-1.0	-38.51	300.60	6.03	-32.48
CC1=CC=C(OC(C)C(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004676104	1	35	-1.0	-38.51	300.65	6.04	-32.47
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004676105	0	28	-1.0	-39.22	268.43	6.40	-32.82
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL250004676105	1	28	-1.0	-39.23	268.48	6.42	-32.81
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004676106	0	31	-1.0	-38.91	286.10	5.49	-33.42
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL250004676106	1	31	-1.0	-38.94	286.04	5.48	-33.46
CC1=C(C(=O)OCC2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL250004676107	0	27	-1.0	-51.63	271.08	2.36	-49.27
CC1=C(C(=O)OCC2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL250004676107	1	27	-1.0	-51.59	271.13	2.37	-49.22
C=CCCC(CC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004676108	0	37	-1.0	-38.00	300.14	6.18	-31.82
C=CCCC(CC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004676108	1	37	-1.0	-37.98	300.20	6.20	-31.78
COC(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1C	REAL250004676109	0	31	-1.0	-40.07	275.13	4.83	-35.24
COC(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1C	REAL250004676109	1	31	-1.0	-40.04	275.19	4.84	-35.20
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)C=C1	REAL250004676110	0	29	-1.0	-39.16	275.18	6.19	-32.97
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL250004676110	1	29	-1.0	-39.16	275.23	6.20	-32.96
CC(C)COC(C(=O)OCC1=N[N-]N=N1)C(C)C	REAL250004676111	0	37	-1.0	-38.36	302.51	5.04	-33.32
CC(C)COC(C(=O)OCC1=NN=N[N-]1)C(C)C	REAL250004676111	1	37	-1.0	-38.36	302.57	5.05	-33.31
O=C(OCC1=N[N-]N=N1)C1=CC=C2CCOC(=O)C2=C1	REAL250004676112	0	29	-1.0	-44.98	266.03	4.72	-40.26
O=C(OCC1=NN=N[N-]1)C1=CC=C2CCOC(=O)C2=C1	REAL250004676112	1	29	-1.0	-44.97	266.09	4.73	-40.24
O=C(CCCCC1CSSC1)OCC1=N[N-]N=N1	REAL250004676113	0	33	-1.0	-40.69	300.08	7.05	-33.64
O=C(CCCCC1CSSC1)OCC1=NN=N[N-]1	REAL250004676113	1	33	-1.0	-40.70	300.13	7.06	-33.64
CNC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676114	0	34	-1.0	-42.33	284.16	1.85	-40.48
CNC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676114	1	34	-1.0	-42.34	284.22	1.86	-40.48
O=C(OCC1=NN=N[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004676115	0	27	-1.0	-38.64	261.52	4.56	-34.08
O=C(OCC1=N[N-]N=N1)C1=CN=CC2=C(Cl)C=CC=C12	REAL250004676115	1	27	-1.0	-38.65	261.46	4.55	-34.10
CC1=CC2=CC=CN=C2C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676116	0	30	-1.0	-48.05	270.77	5.19	-42.86
CC1=CC2=CC=CN=C2C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676116	1	30	-1.0	-48.05	270.71	5.18	-42.87
CN1C=C(C2=CC=CC=C2C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676117	0	32	-1.0	-46.16	286.09	4.84	-41.32
CN1C=C(C2=CC=CC=C2C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676117	1	32	-1.0	-46.14	286.03	4.83	-41.31
CC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004676118	0	30	-1.0	-42.29	271.51	4.76	-37.53
CC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004676118	1	30	-1.0	-42.31	271.45	4.75	-37.56
COC1(C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)COC1	REAL250004676119	0	34	-1.0	-41.29	290.78	3.08	-38.21
COC1(C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)COC1	REAL250004676119	1	34	-1.0	-41.30	290.84	3.09	-38.21
C[C@@H](C(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004676120	0	28	-1.0	-37.39	255.88	5.12	-32.27
C[C@@H](C(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004676120	1	28	-1.0	-37.39	255.94	5.13	-32.26
O=C(OCC1=N[N-]N=N1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL250004676121	0	32	-1.0	-38.86	276.05	6.37	-32.49
O=C(OCC1=NN=N[N-]1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL250004676121	1	32	-1.0	-38.91	276.10	6.39	-32.52
CCC(CC(=O)OCC1=N[N-]N=N1)CC(F)(F)F	REAL250004676122	0	30	-1.0	-38.52	258.14	4.28	-34.24
CCC(CC(=O)OCC1=NN=N[N-]1)CC(F)(F)F	REAL250004676122	1	30	-1.0	-38.51	258.19	4.29	-34.22
CC(C)N1C=CC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004676123	0	35	-1.0	-44.52	301.46	6.81	-37.71
CC(C)N1C=CC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004676123	1	35	-1.0	-44.49	301.51	6.82	-37.67
O=C(OCC1=N[N-]N=N1)C1=NN2CC(F)CC2=C1	REAL250004676124	0	26	-1.0	-49.30	244.32	2.53	-46.77
O=C(OCC1=NN=N[N-]1)C1=NN2CC(F)CC2=C1	REAL250004676124	1	26	-1.0	-49.29	244.38	2.54	-46.75
O=C(OCC1=N[N-]N=N1)C12CCN(CCC1)S2(=O)=O	REAL250004676125	0	31	-1.0	-43.43	266.85	0.15	-43.28
O=C(OCC1=NN=N[N-]1)C12CCN(CCC1)S2(=O)=O	REAL250004676125	1	31	-1.0	-43.41	266.91	0.16	-43.25
O=C(OCC1=NN=N[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004676126	0	31	-1.0	-44.33	289.81	3.06	-41.27
O=C(OCC1=N[N-]N=N1)C1=CC=CN=C1OC1=CC=CN=C1	REAL250004676126	1	31	-1.0	-44.33	289.76	3.05	-41.28
CC1=CC=CC(C2(C(=O)OCC3=N[N-]N=N3)CC2(F)F)=C1	REAL250004676127	0	32	-1.0	-39.28	295.00	6.62	-32.66
CC1=CC=CC(C2(C(=O)OCC3=NN=N[N-]3)CC2(F)F)=C1	REAL250004676127	1	32	-1.0	-39.25	295.06	6.64	-32.61
CC1=C(C(=O)OCC2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL250004676128	0	31	-1.0	-40.52	268.41	6.46	-34.06
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL250004676128	1	31	-1.0	-40.53	268.47	6.47	-34.06
COC1=CC=CC(CCC(=O)OCC2=N[N-]N=N2)=N1	REAL250004676129	0	31	-1.0	-39.86	280.21	2.11	-37.75
COC1=CC=CC(CCC(=O)OCC2=NN=N[N-]2)=N1	REAL250004676129	1	31	-1.0	-39.88	280.27	2.13	-37.75
CN1N=C(C(=O)OCC2=N[N-]N=N2)C2=C1CCOC2	REAL250004676130	0	30	-1.0	-46.80	265.56	1.52	-45.28
CN1N=C(C(=O)OCC2=NN=N[N-]2)C2=C1CCOC2	REAL250004676130	1	30	-1.0	-46.76	265.62	1.53	-45.23
O=C(OCC1=N[N-]N=N1)C1(C2CCOCC2)CC1(F)F	REAL250004676131	0	33	-1.0	-38.33	277.25	3.55	-34.78
O=C(OCC1=NN=N[N-]1)C1(C2CCOCC2)CC1(F)F	REAL250004676131	1	33	-1.0	-38.35	277.31	3.57	-34.78
CN1C(C(=O)OCC2=N[N-]N=N2)=CC2=C1C=CS2	REAL250004676132	0	26	-1.0	-37.93	250.95	4.44	-33.49
CN1C(C(=O)OCC2=NN=N[N-]2)=CC2=C1C=CS2	REAL250004676132	1	26	-1.0	-37.93	251.01	4.46	-33.47
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1CC(F)F	REAL250004676133	0	28	-1.0	-40.18	264.52	3.09	-37.09
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1CC(F)F	REAL250004676133	1	28	-1.0	-40.19	264.58	3.11	-37.08
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1CCC1	REAL250004676134	0	32	-1.0	-41.65	278.22	4.21	-37.44
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1CCC1	REAL250004676134	1	32	-1.0	-41.66	278.28	4.22	-37.44
CC1=NN(CC(=O)OCC2=N[N-]N=N2)C(C)=C1C	REAL250004676135	0	31	-1.0	-42.16	274.01	3.62	-38.54
CC1=NN(CC(=O)OCC2=NN=N[N-]2)C(C)=C1C	REAL250004676135	1	31	-1.0	-42.19	274.07	3.64	-38.55
O=C(OCC1=N[N-]N=N1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004676136	0	29	-1.0	-40.75	283.29	6.34	-34.41
O=C(OCC1=NN=N[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL250004676136	1	29	-1.0	-40.76	283.35	6.35	-34.41
CC(=O)C1=NC(C(=O)OCC2=N[N-]N=N2)=CS1	REAL250004676137	0	23	-1.0	-53.17	240.04	1.29	-51.88
CC(=O)C1=NC(C(=O)OCC2=NN=N[N-]2)=CS1	REAL250004676137	1	23	-1.0	-53.18	240.09	1.31	-51.87
CC(=O)NC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004676138	0	29	-1.0	-46.28	270.80	2.70	-43.58
CC(=O)NC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004676138	1	29	-1.0	-46.25	270.86	2.71	-43.54
O=C(CC1=CC(C(F)(F)F)=CO1)OCC1=N[N-]N=N1	REAL250004676139	0	25	-1.0	-39.12	254.05	3.77	-35.35
O=C(CC1=CC(C(F)(F)F)=CO1)OCC1=NN=N[N-]1	REAL250004676139	1	25	-1.0	-39.14	254.10	3.78	-35.36
CC1=C2C=C(C(=O)OCC3=N[N-]N=N3)SC2=C(C)S1	REAL250004676140	0	28	-1.0	-42.21	283.01	5.79	-36.42
CC1=C2C=C(C(=O)OCC3=NN=N[N-]3)SC2=C(C)S1	REAL250004676140	1	28	-1.0	-42.22	283.07	5.80	-36.42
CC1(C)CCCC(CC(=O)OCC2=N[N-]N=N2)O1	REAL250004676141	0	35	-1.0	-39.85	281.26	4.33	-35.52
CC1(C)CCCC(CC(=O)OCC2=NN=N[N-]2)O1	REAL250004676141	1	35	-1.0	-39.88	281.32	4.34	-35.54
O=C(CN1C=CC2=CC(F)=CC=C21)OCC1=N[N-]N=N1	REAL250004676142	0	29	-1.0	-40.12	272.08	6.12	-34.00
O=C(CN1C=CC2=CC(F)=CC=C21)OCC1=NN=N[N-]1	REAL250004676142	1	29	-1.0	-40.12	272.13	6.13	-33.99
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCC2=O)OC1=O	REAL250004676143	0	30	-1.0	-53.37	276.55	4.84	-48.53
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL250004676143	1	30	-1.0	-53.36	276.61	4.85	-48.51
COC1=CC2=NC=CC(C(=O)OCC3=NN=N[N-]3)=C2C=C1	REAL250004676144	0	31	-1.0	-38.18	275.79	3.34	-34.84
COC1=CC2=NC=CC(C(=O)OCC3=N[N-]N=N3)=C2C=C1	REAL250004676144	1	31	-1.0	-38.17	275.73	3.32	-34.85
CCSC1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676145	0	35	-1.0	-40.16	291.17	5.86	-34.30
CCSC1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676145	1	35	-1.0	-40.15	291.24	5.87	-34.28
CC1=CC(CCC(=O)OCC2=N[N-]N=N2)=CC(C)=N1	REAL250004676146	0	33	-1.0	-38.82	291.92	4.82	-34.00
CC1=CC(CCC(=O)OCC2=NN=N[N-]2)=CC(C)=N1	REAL250004676146	1	33	-1.0	-38.84	291.97	4.83	-34.01
O=C(OCC1=N[N-]N=N1)C1=CSC(Cl)=C1Cl	REAL250004676147	0	19	-1.0	-36.92	231.43	3.76	-33.16
O=C(OCC1=NN=N[N-]1)C1=CSC(Cl)=C1Cl	REAL250004676147	1	19	-1.0	-36.90	231.49	3.78	-33.12
CC1=NN(C2CCC2)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676148	0	32	-1.0	-38.41	278.05	4.09	-34.32
CC1=NN(C2CCC2)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676148	1	32	-1.0	-38.40	278.11	4.11	-34.29
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004676149	0	29	-1.0	-39.67	277.00	5.09	-34.58
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL250004676149	1	29	-1.0	-39.67	276.94	5.08	-34.59
CCC1=C(C)SC=C1C(=O)OCC1=N[N-]N=N1	REAL250004676150	0	28	-1.0	-39.11	258.48	4.73	-34.38
CCC1=C(C)SC=C1C(=O)OCC1=NN=N[N-]1	REAL250004676150	1	28	-1.0	-39.13	258.53	4.75	-34.38
O=C(OCC1=N[N-]N=N1)C1CC(OC(F)(F)F)C1	REAL250004676151	0	26	-1.0	-37.69	251.39	2.43	-35.26
O=C(OCC1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL250004676151	1	26	-1.0	-37.66	251.45	2.44	-35.22
CS(=O)(=O)C1=COC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676152	0	25	-1.0	-47.65	255.62	-0.68	-48.33
CS(=O)(=O)C1=COC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676152	1	25	-1.0	-47.60	255.67	-0.66	-48.26
CC1=CC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004676153	0	31	-1.0	-39.90	277.72	6.68	-33.22
CC1=CC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004676153	1	31	-1.0	-39.88	277.77	6.69	-33.19
O=C(CC1=CC=C2COCCC2=C1)OCC1=N[N-]N=N1	REAL250004676154	0	33	-1.0	-40.06	286.13	4.64	-35.42
O=C(CC1=CC=C2COCCC2=C1)OCC1=NN=N[N-]1	REAL250004676154	1	33	-1.0	-40.03	286.19	4.65	-35.38
O=C(CC1=CC=C2CCOCC2=C1)OCC1=N[N-]N=N1	REAL250004676155	0	33	-1.0	-40.01	286.13	4.65	-35.36
O=C(CC1=CC=C2CCOCC2=C1)OCC1=NN=N[N-]1	REAL250004676155	1	33	-1.0	-40.00	286.18	4.66	-35.34
CC1=NC(C(=O)OCC2=N[N-]N=N2)=CC=C1Br	REAL250004676156	0	24	-1.0	-40.61	245.75	3.09	-37.52
CC1=NC(C(=O)OCC2=NN=N[N-]2)=CC=C1Br	REAL250004676156	1	24	-1.0	-40.61	245.81	3.11	-37.50
O=C(OCC1=N[N-]N=N1)C1=CC=C2SCCC(=O)C2=C1	REAL250004676157	0	29	-1.0	-41.72	274.72	5.05	-36.67
O=C(OCC1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL250004676157	1	29	-1.0	-41.69	274.78	5.06	-36.63
CCC1=CC=C(N2C=C(C(=O)OCC3=NN=N[N-]3)N=N2)C=C1	REAL250004676158	0	34	-1.0	-44.91	308.69	4.97	-39.94
CCC1=CC=C(N2C=C(C(=O)OCC3=N[N-]N=N3)N=N2)C=C1	REAL250004676158	1	34	-1.0	-44.90	308.63	4.95	-39.95
O=C(OCC1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004676159	0	31	-1.0	-38.39	286.11	5.49	-32.90
O=C(OCC1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL250004676159	1	31	-1.0	-38.43	286.05	5.48	-32.95
O=C(CC1CCCC(F)(F)C1)OCC1=N[N-]N=N1	REAL250004676160	0	31	-1.0	-38.43	263.38	4.87	-33.56
O=C(CC1CCCC(F)(F)C1)OCC1=NN=N[N-]1	REAL250004676160	1	31	-1.0	-38.42	263.44	4.88	-33.54
CC1=CC(Cl)=C(C(=O)OCC2=N[N-]N=N2)S1	REAL250004676161	0	22	-1.0	-38.88	236.65	4.07	-34.81
CC1=CC(Cl)=C(C(=O)OCC2=NN=N[N-]2)S1	REAL250004676161	1	22	-1.0	-38.87	236.71	4.08	-34.79
O=C(OCC1=N[N-]N=N1)C1CCC(=O)N(C2CC2)C1	REAL250004676162	0	33	-1.0	-38.22	279.15	3.52	-34.70
O=C(OCC1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL250004676162	1	33	-1.0	-38.23	279.21	3.54	-34.69
N#CC1=CN=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676163	0	22	-1.0	-37.37	239.92	2.62	-34.75
N#CC1=CN=C(Cl)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676163	1	22	-1.0	-37.38	239.86	2.60	-34.78
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1C(=O)NC2	REAL250004676164	0	27	-1.0	-53.68	246.86	2.19	-51.49
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1C(=O)NC2	REAL250004676164	1	27	-1.0	-53.64	246.92	2.21	-51.43
CCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1Cl	REAL250004676165	0	28	-1.0	-38.86	266.85	5.62	-33.24
CCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1Cl	REAL250004676165	1	28	-1.0	-38.84	266.90	5.63	-33.21
O=C(OCC1=N[N-]N=N1)C1=CC=C(CC2CC2)C=C1	REAL250004676166	0	32	-1.0	-38.70	284.77	6.78	-31.92
O=C(OCC1=NN=N[N-]1)C1=CC=C(CC2CC2)C=C1	REAL250004676166	1	32	-1.0	-38.74	284.83	6.80	-31.94
O=C(OCC1=NN=N[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004676167	0	24	-1.0	-42.12	256.64	3.80	-38.32
O=C(OCC1=N[N-]N=N1)C1=C(Cl)C2=NC=CC=C2S1	REAL250004676167	1	24	-1.0	-42.12	256.58	3.79	-38.33
N#CC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004676168	0	29	-1.0	-40.38	280.10	5.77	-34.61
N#CC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004676168	1	29	-1.0	-40.36	280.16	5.79	-34.57
O=C(OCC1=N[N-]N=N1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004676169	0	28	-1.0	-40.99	265.54	1.03	-39.96
O=C(OCC1=NN=N[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL250004676169	1	28	-1.0	-40.98	265.59	1.04	-39.94
O=C(OCC1=N[N-]N=N1)C1=CN=C2CCCCC2=C1	REAL250004676170	0	31	-1.0	-39.14	268.24	4.46	-34.68
O=C(OCC1=NN=N[N-]1)C1=CN=C2CCCCC2=C1	REAL250004676170	1	31	-1.0	-39.10	268.30	4.47	-34.63
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676171	0	30	-1.0	-43.93	273.17	5.65	-38.28
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676171	1	30	-1.0	-43.92	273.22	5.66	-38.26
O=C(OCC1=N[N-]N=N1)C1CCC1C1=CC=CC=C1Cl	REAL250004676172	0	32	-1.0	-39.91	285.36	6.62	-33.29
O=C(OCC1=NN=N[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL250004676172	1	32	-1.0	-39.90	285.41	6.64	-33.26
CC(C)N1C=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C21	REAL250004676173	0	35	-1.0	-41.73	303.89	6.90	-34.83
CC(C)N1C=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C21	REAL250004676173	1	35	-1.0	-41.74	303.95	6.91	-34.83
C=CCOCC(C(=O)OCC1=N[N-]N=N1)C(C)(C)C	REAL250004676174	0	38	-1.0	-36.23	306.22	4.92	-31.31
C=CCOCC(C(=O)OCC1=NN=N[N-]1)C(C)(C)C	REAL250004676174	1	38	-1.0	-36.17	306.27	4.94	-31.23
CN1N=CC(C(F)F)=C1C(=O)OCC1=NN=N[N-]1	REAL250004676175	0	25	-1.0	-36.46	237.32	2.36	-34.10
CN1N=CC(C(F)F)=C1C(=O)OCC1=N[N-]N=N1	REAL250004676175	1	25	-1.0	-36.43	237.26	2.34	-34.09
CC1=NN(C2CCC2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676176	0	32	-1.0	-36.43	278.73	4.37	-32.06
CC1=NN(C2CCC2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676176	1	32	-1.0	-36.44	278.79	4.38	-32.06
O=C(OCC1=NN=N[N-]1)C1=CC=NN1CCC(F)(F)F	REAL250004676177	0	28	-1.0	-37.93	270.82	3.60	-34.33
O=C(OCC1=N[N-]N=N1)C1=CC=NN1CCC(F)(F)F	REAL250004676177	1	28	-1.0	-37.94	270.76	3.59	-34.35
CC1(C)CCCOC1CC(=O)OCC1=N[N-]N=N1	REAL250004676178	0	35	-1.0	-38.79	276.15	3.98	-34.81
CC1(C)CCCOC1CC(=O)OCC1=NN=N[N-]1	REAL250004676178	1	35	-1.0	-38.81	276.20	4.00	-34.81
O=C(C=CC1=CC=C(Cl)C=C1F)OCC1=N[N-]N=N1	REAL250004676179	0	26	-1.0	-38.01	263.80	5.59	-32.42
O=C(C=CC1=CC=C(Cl)C=C1F)OCC1=NN=N[N-]1	REAL250004676179	1	26	-1.0	-38.03	263.85	5.60	-32.43
CC(=O)NC(COC(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004676180	0	35	-1.0	-43.27	299.95	1.43	-41.84
CC(=O)NC(COC(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004676180	1	35	-1.0	-43.26	300.01	1.44	-41.82
CC1(C)OCC(CCC(=O)OCC2=N[N-]N=N2)O1	REAL250004676181	0	33	-1.0	-38.39	283.72	2.75	-35.64
CC1(C)OCC(CCC(=O)OCC2=NN=N[N-]2)O1	REAL250004676181	1	33	-1.0	-38.36	283.77	2.77	-35.59
COC1=CC2=CC=C(CC(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004676182	0	35	-1.0	-40.94	307.87	6.11	-34.83
COC1=CC2=CC=C(CC(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004676182	1	35	-1.0	-40.95	307.93	6.13	-34.82
CC(C)CC(CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676183	0	40	-1.0	-37.72	324.86	7.82	-29.90
CC(C)CC(CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676183	1	40	-1.0	-37.69	324.92	7.83	-29.86
CC12CCC(C(=O)OCC3=N[N-]N=N3)(CC1)OC2	REAL250004676184	0	33	-1.0	-40.78	267.31	3.69	-37.09
CC12CCC(C(=O)OCC3=NN=N[N-]3)(CC1)OC2	REAL250004676184	1	33	-1.0	-40.77	267.37	3.71	-37.06
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL250004676185	0	28	-1.0	-40.12	269.88	4.57	-35.55
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL250004676185	1	28	-1.0	-40.09	269.94	4.59	-35.50
O=C(OCC1=NN=N[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL250004676186	0	27	-1.0	-41.50	252.71	4.16	-37.34
O=C(OCC1=N[N-]N=N1)C1=NC=C(F)C2=CC=CC=C21	REAL250004676186	1	27	-1.0	-41.49	252.66	4.15	-37.34
COC(=O)C1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676187	0	31	-1.0	-42.04	293.06	3.88	-38.16
COC(=O)C1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676187	1	31	-1.0	-42.02	293.12	3.90	-38.12
CC(C)(C)N1C=C(CC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676188	0	34	-1.0	-41.47	295.23	4.38	-37.09
CC(C)(C)N1C=C(CC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676188	1	34	-1.0	-41.46	295.17	4.37	-37.09
CC1=CC=C(C2(C(=O)OCC3=N[N-]N=N3)CC2)C(F)=C1	REAL250004676189	0	32	-1.0	-42.19	287.98	6.49	-35.70
CC1=CC=C(C2(C(=O)OCC3=NN=N[N-]3)CC2)C(F)=C1	REAL250004676189	1	32	-1.0	-42.16	288.03	6.51	-35.65
CC(CC(=O)OCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL250004676190	0	31	-1.0	-38.51	279.96	5.83	-32.68
CC(CC(=O)OCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL250004676190	1	31	-1.0	-38.50	280.02	5.84	-32.66
CCCC1=C(C(=O)OCC2=N[N-]N=N2)N=NN1CC	REAL250004676191	0	33	-1.0	-46.07	290.87	2.91	-43.16
CCCC1=C(C(=O)OCC2=NN=N[N-]2)N=NN1CC	REAL250004676191	1	33	-1.0	-46.08	290.93	2.92	-43.16
O=C(OCC1=N[N-]N=N1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL250004676192	0	32	-1.0	-42.52	287.91	4.81	-37.71
O=C(OCC1=NN=N[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL250004676192	1	32	-1.0	-42.54	287.97	4.82	-37.72
CN(CC1=CC=CO1)C(=O)NCC(=O)OCC1=N[N-]N=N1	REAL250004676193	0	34	-1.0	-43.47	305.71	2.27	-41.20
CN(CC1=CC=CO1)C(=O)NCC(=O)OCC1=NN=N[N-]1	REAL250004676193	1	34	-1.0	-43.44	305.77	2.29	-41.15
CC1=NNC2=C1CC(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004676194	0	32	-1.0	-38.73	273.96	3.17	-35.56
CC1=NNC2=C1CC(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004676194	1	32	-1.0	-38.76	274.01	3.18	-35.58
CC1=C2CC(C(=O)OCC3=N[N-]N=N3)CCC2=NN1	REAL250004676194	1	32	-1.0	-39.26	273.12	3.15	-36.11
O=C(CC1=CC=C2NC(=O)CCC2=C1)OCC1=N[N-]N=N1	REAL250004676195	0	33	-1.0	-41.42	292.24	3.75	-37.67
O=C(CC1=CC=C2NC(=O)CCC2=C1)OCC1=NN=N[N-]1	REAL250004676195	1	33	-1.0	-41.45	292.30	3.75	-37.70
CSC1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004676196	0	28	-1.0	-36.00	274.02	5.32	-30.68
CSC1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004676196	1	28	-1.0	-35.99	274.07	5.33	-30.66
CC(C)(OC1=C(F)C=CC=C1F)C(=O)OCC1=N[N-]N=N1	REAL250004676197	0	32	-1.0	-42.91	285.82	5.21	-37.70
CC(C)(OC1=C(F)C=CC=C1F)C(=O)OCC1=NN=N[N-]1	REAL250004676197	1	32	-1.0	-42.88	285.88	5.22	-37.66
N#CC1=CC2=C(C(=O)OCC3=NN=N[N-]3)C=NN2C=C1	REAL250004676198	0	26	-1.0	-44.20	258.13	3.95	-40.25
N#CC1=CC2=C(C(=O)OCC3=N[N-]N=N3)C=NN2C=C1	REAL250004676198	1	26	-1.0	-44.18	258.07	3.93	-40.25
C[C@H](ONC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004676199	0	36	-1.0	-43.16	312.15	2.38	-40.78
C[C@H](ONC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004676199	1	36	-1.0	-43.13	312.21	2.40	-40.73
CC(C)OC1=CC=C(Cl)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004676200	0	31	-1.0	-48.10	290.24	4.02	-44.08
CC(C)OC1=CC=C(Cl)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004676200	1	31	-1.0	-48.07	290.18	4.01	-44.06
C=CCOC1=CC=C(Cl)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004676201	0	29	-1.0	-48.49	285.22	4.00	-44.49
C=CCOC1=CC=C(Cl)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004676201	1	29	-1.0	-48.50	285.16	3.98	-44.52
O=C(OCC1=N[N-]N=N1)C1CCCC(F)(F)CC1	REAL250004676202	0	31	-1.0	-38.70	254.37	4.59	-34.11
O=C(OCC1=NN=N[N-]1)C1CCCC(F)(F)CC1	REAL250004676202	1	31	-1.0	-38.70	254.43	4.60	-34.10
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004676203	0	29	-1.0	-40.83	271.75	6.02	-34.81
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL250004676203	1	29	-1.0	-40.84	271.81	6.03	-34.81
O=C(OCC1=NN=N[N-]1)C1=C2C=NSC2=CC=C1	REAL250004676204	0	24	-1.0	-38.33	237.98	3.73	-34.60
O=C(OCC1=N[N-]N=N1)C1=C2C=NSC2=CC=C1	REAL250004676204	1	24	-1.0	-38.31	237.92	3.72	-34.59
C#CC1=CC=C(C2CC2C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676205	0	31	-1.0	-41.81	279.57	6.84	-34.97
C#CC1=CC=C(C2CC2C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676205	1	31	-1.0	-41.78	279.63	6.85	-34.93
CC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL250004676206	0	30	-1.0	-44.65	271.78	4.89	-39.76
CC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL250004676206	1	30	-1.0	-44.65	271.73	4.87	-39.78
O=C(OCC1=N[N-]N=N1)C1(C2CCC2)CC1(F)F	REAL250004676207	0	29	-1.0	-39.57	254.35	4.87	-34.70
O=C(OCC1=NN=N[N-]1)C1(C2CCC2)CC1(F)F	REAL250004676207	1	29	-1.0	-39.56	254.41	4.89	-34.67
CN1N=CC2=C(C(=O)OCC3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL250004676208	0	34	-1.0	-37.29	301.93	4.82	-32.47
CN1N=CC2=C(C(=O)OCC3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL250004676208	1	34	-1.0	-37.33	301.98	4.83	-32.50
O=C(OCC1=N[N-]N=N1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004676209	0	32	-1.0	-36.10	280.76	5.32	-30.78
O=C(OCC1=NN=N[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL250004676209	1	32	-1.0	-36.08	280.82	5.33	-30.75
O=C(OCC1=NN=N[N-]1)C1=C2C(=O)NCCN2N=C1	REAL250004676210	0	27	-1.0	-49.51	248.64	0.05	-49.46
O=C(OCC1=N[N-]N=N1)C1=C2C(=O)NCCN2N=C1	REAL250004676210	1	27	-1.0	-49.56	248.58	0.03	-49.53
O=C(OCC1=N[N-]N=N1)C1CC(=O)CC12CCC2	REAL250004676211	0	31	-1.0	-37.69	262.37	4.26	-33.43
O=C(OCC1=NN=N[N-]1)C1CC(=O)CC12CCC2	REAL250004676211	1	31	-1.0	-37.65	262.43	4.27	-33.38
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004676212	0	29	-1.0	-37.83	271.91	2.36	-35.47
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL250004676212	1	29	-1.0	-37.86	271.97	2.38	-35.48
CC1=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C2C(F)=C1	REAL250004676213	0	30	-1.0	-42.29	279.24	4.92	-37.37
CC1=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C2C(F)=C1	REAL250004676213	1	30	-1.0	-42.30	279.18	4.90	-37.40
CN1C=C(C2=NC(C(=O)OCC3=NN=N[N-]3)=CO2)C=N1	REAL250004676214	0	28	-1.0	-48.77	272.32	-0.07	-48.84
CN1C=C(C2=NC(C(=O)OCC3=N[N-]N=N3)=CO2)C=N1	REAL250004676214	1	28	-1.0	-48.79	272.26	-0.09	-48.88
CCCCOC1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676215	0	38	-1.0	-38.89	326.77	6.37	-32.52
CCCCOC1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676215	1	38	-1.0	-38.90	326.82	6.38	-32.52
COC1=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C=C1	REAL250004676216	0	31	-1.0	-40.34	283.58	2.66	-37.68
COC1=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C=C1	REAL250004676216	1	31	-1.0	-40.33	283.53	2.65	-37.68
CC1=CN2C(C(=O)OCC3=NN=N[N-]3)=CN=C2S1	REAL250004676217	0	25	-1.0	-38.79	248.72	4.24	-34.55
CC1=CN2C(C(=O)OCC3=N[N-]N=N3)=CN=C2S1	REAL250004676217	1	25	-1.0	-38.77	248.66	4.23	-34.54
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL250004676218	0	19	-1.0	-33.96	234.17	3.93	-30.03
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL250004676218	1	19	-1.0	-33.99	234.23	3.94	-30.05
CC(C)(C)C1=CC=NC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676219	0	33	-1.0	-42.94	282.89	4.33	-38.61
CC(C)(C)C1=CC=NC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676219	1	33	-1.0	-42.94	282.83	4.32	-38.62
COC1CC2(C1)CCC(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004676220	0	39	-1.0	-38.24	312.03	4.74	-33.50
COC1CC2(C1)CCC(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004676220	1	39	-1.0	-38.24	312.09	4.75	-33.49
CCCC(CCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676221	0	40	-1.0	-39.18	330.30	8.17	-31.01
CCCC(CCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676221	1	40	-1.0	-39.21	330.36	8.18	-31.03
CCC(C)(C)C1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676222	0	43	-1.0	-38.08	311.21	6.42	-31.66
CCC(C)(C)C1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676222	1	43	-1.0	-38.09	311.27	6.43	-31.66
CC1=CC2=CC(C(=O)OCC3=NN=N[N-]3)=CN=C2C=C1	REAL250004676223	0	30	-1.0	-40.42	273.02	4.83	-35.59
CC1=CC2=CC(C(=O)OCC3=N[N-]N=N3)=CN=C2C=C1	REAL250004676223	1	30	-1.0	-40.42	272.96	4.82	-35.60
O=C(OCC1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL250004676224	0	29	-1.0	-42.36	266.24	3.53	-38.83
O=C(OCC1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250004676224	1	29	-1.0	-42.37	266.30	3.54	-38.83
CCC(CCC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676225	0	37	-1.0	-38.91	308.57	7.37	-31.54
CCC(CCC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676225	1	37	-1.0	-38.87	308.63	7.39	-31.48
O=C(OCC1=N[N-]N=N1)C1CCC2(CC(=O)C2)CC1	REAL250004676226	0	34	-1.0	-41.52	282.05	4.87	-36.65
O=C(OCC1=NN=N[N-]1)C1CCC2(CC(=O)C2)CC1	REAL250004676226	1	34	-1.0	-41.51	282.11	4.88	-36.63
O=C(CCC1=CC=C2CCOCC2=C1)OCC1=N[N-]N=N1	REAL250004676227	0	36	-1.0	-38.88	307.52	5.45	-33.43
O=C(CCC1=CC=C2CCOCC2=C1)OCC1=NN=N[N-]1	REAL250004676227	1	36	-1.0	-38.88	307.58	5.47	-33.41
O=C(OCC1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL250004676228	0	32	-1.0	-39.06	274.12	5.53	-33.53
O=C(OCC1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL250004676228	1	32	-1.0	-39.05	274.18	5.54	-33.51
CN(C)C1=CC(C(=O)OCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL250004676229	0	32	-1.0	-36.09	290.68	5.04	-31.05
CN(C)C1=CC(C(=O)OCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL250004676229	1	32	-1.0	-36.06	290.74	5.06	-31.00
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004676230	0	26	-1.0	-38.96	258.29	3.51	-35.45
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL250004676230	1	26	-1.0	-38.98	258.23	3.49	-35.49
COC(=O)C1=CSC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676231	0	25	-1.0	-39.99	257.35	3.48	-36.51
COC(=O)C1=CSC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676231	1	25	-1.0	-39.99	257.41	3.49	-36.50
CC(C)(C)C1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676232	0	33	-1.0	-38.10	281.81	4.31	-33.79
CC(C)(C)C1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676232	1	33	-1.0	-38.09	281.76	4.29	-33.80
COC1CC(CC(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004676233	0	35	-1.0	-38.91	288.73	3.75	-35.16
COC1CC(CC(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004676233	1	35	-1.0	-38.89	288.78	3.77	-35.12
N#CC1=CC=C(C2=C(C(=O)OCC3=NN=N[N-]3)N=CO2)C=C1	REAL250004676234	0	29	-1.0	-45.33	284.66	2.41	-42.92
N#CC1=CC=C(C2=C(C(=O)OCC3=N[N-]N=N3)N=CO2)C=C1	REAL250004676234	1	29	-1.0	-45.31	284.60	2.40	-42.91
O=C(OCC1=N[N-]N=N1)C12CCCN1C(=O)CCCC2	REAL250004676235	0	36	-1.0	-46.17	285.14	3.87	-42.30
O=C(OCC1=NN=N[N-]1)C12CCCN1C(=O)CCCC2	REAL250004676235	1	36	-1.0	-46.18	285.19	3.88	-42.30
O=C(OCC1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL250004676236	0	29	-1.0	-38.85	261.13	4.98	-33.87
O=C(OCC1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL250004676236	1	29	-1.0	-38.85	261.19	4.99	-33.86
O=C(OCC1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL250004676237	0	29	-1.0	-41.20	251.16	4.74	-36.46
O=C(OCC1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL250004676237	1	29	-1.0	-41.17	251.22	4.76	-36.41
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)OCC1=N[N-]N=N1	REAL250004676238	0	33	-1.0	-42.38	283.45	5.40	-36.98
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)OCC1=NN=N[N-]1	REAL250004676238	1	33	-1.0	-42.38	283.51	5.42	-36.96
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL250004676239	0	40	-1.0	-38.02	286.13	5.71	-32.31
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)OCC1=NN=N[N-]1	REAL250004676239	1	40	-1.0	-38.01	286.19	5.72	-32.29
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C(F)F)=NN1C	REAL250004676240	0	28	-1.0	-44.92	266.37	2.89	-42.03
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C(F)F)=NN1C	REAL250004676240	1	28	-1.0	-44.88	266.43	2.91	-41.97
O=C(OCC1=N[N-]N=N1)C1=NNC(C2CCCC2)=C1	REAL250004676241	0	32	-1.0	-41.87	276.77	3.47	-38.40
O=C(OCC1=NN=N[N-]1)C1=NNC(C2CCCC2)=C1	REAL250004676241	1	32	-1.0	-41.87	276.83	3.49	-38.38
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL250004676242	0	30	-1.0	-39.84	264.30	2.79	-37.05
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL250004676242	1	30	-1.0	-39.84	264.35	2.80	-37.04
O=C(OCC1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL250004676243	0	29	-1.0	-38.68	259.53	0.30	-38.38
O=C(OCC1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL250004676243	1	29	-1.0	-38.70	259.58	0.31	-38.39
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NC=C1C(F)F	REAL250004676244	0	27	-1.0	-42.09	256.02	3.39	-38.70
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NC=C1C(F)F	REAL250004676244	1	27	-1.0	-42.06	256.08	3.40	-38.66
O=C(OCC1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL250004676245	0	30	-1.0	-43.03	278.85	2.10	-40.93
O=C(OCC1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL250004676245	1	30	-1.0	-43.07	278.90	2.11	-40.96
CN(C)C(=O)C1=CN=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676246	0	31	-1.0	-42.65	277.02	1.74	-40.91
CN(C)C(=O)C1=CN=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676246	1	31	-1.0	-42.65	276.96	1.72	-40.93
O=C(OCC1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004676247	0	26	-1.0	-49.73	263.51	2.89	-46.84
O=C(OCC1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL250004676247	1	26	-1.0	-49.75	263.45	2.88	-46.87
COC1=CC=CC=C1OC(C)C(=O)OCC1=N[N-]N=N1	REAL250004676248	0	33	-1.0	-42.37	288.35	4.39	-37.98
COC1=CC=CC=C1OC(C)C(=O)OCC1=NN=N[N-]1	REAL250004676248	1	33	-1.0	-42.38	288.41	4.40	-37.98
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL250004676249	0	36	-1.0	-43.20	312.28	2.39	-40.81
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL250004676249	1	36	-1.0	-43.20	312.34	2.41	-40.79
CC1=C(Cl)C=NN1CC(=O)OCC1=N[N-]N=N1	REAL250004676250	0	25	-1.0	-39.71	250.73	2.96	-36.75
CC1=C(Cl)C=NN1CC(=O)OCC1=NN=N[N-]1	REAL250004676250	1	25	-1.0	-39.73	250.79	2.98	-36.75
CCC1=C(C(=O)OCC2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL250004676251	0	31	-1.0	-39.31	288.04	5.47	-33.84
CCC1=C(C(=O)OCC2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL250004676251	1	31	-1.0	-39.30	288.10	5.48	-33.82
O=C(OCC1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL250004676252	0	34	-1.0	-38.45	286.41	2.82	-35.63
O=C(OCC1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL250004676252	1	34	-1.0	-38.44	286.47	2.84	-35.60
CN1N=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004676253	0	27	-1.0	-51.03	253.12	2.41	-48.62
CN1N=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004676253	1	27	-1.0	-51.00	253.06	2.39	-48.61
O=C(OCC1=NN=N[N-]1)C1=CN=C2OCCCC2=C1	REAL250004676254	0	29	-1.0	-41.22	258.99	1.29	-39.93
O=C(OCC1=N[N-]N=N1)C1=CN=C2OCCCC2=C1	REAL250004676254	1	29	-1.0	-41.23	258.93	1.28	-39.95
CC1=CC2=C(C=C(C(=O)OCC3=N[N-]N=N3)S2)S1	REAL250004676255	0	25	-1.0	-38.98	260.17	5.12	-33.86
CC1=CC2=C(C=C(C(=O)OCC3=NN=N[N-]3)S2)S1	REAL250004676255	1	25	-1.0	-38.97	260.22	5.13	-33.84
O=C(OCC1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL250004676256	0	30	-1.0	-38.82	264.50	6.07	-32.75
O=C(OCC1=NN=N[N-]1)C1CC=CC2=CC=CC=C21	REAL250004676256	1	30	-1.0	-38.81	264.56	6.09	-32.72
O=C(OCC1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL250004676257	0	27	-1.0	-39.72	246.87	4.03	-35.69
O=C(OCC1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL250004676257	1	27	-1.0	-39.71	246.82	4.01	-35.70
O=C(OCC1=NN=N[N-]1)C1=C2SC=CC2=CN=C1	REAL250004676258	0	24	-1.0	-41.23	240.03	3.33	-37.90
O=C(OCC1=N[N-]N=N1)C1=C2SC=CC2=CN=C1	REAL250004676258	1	24	-1.0	-41.26	239.97	3.32	-37.94
COC1CC2(C1)CC(C(=O)OCC1=N[N-]N=N1)C2	REAL250004676259	0	33	-1.0	-37.99	281.42	3.70	-34.29
COC1CC2(C1)CC(C(=O)OCC1=NN=N[N-]1)C2	REAL250004676259	1	33	-1.0	-38.00	281.48	3.72	-34.28
CC1=CC2=C(OCC2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676260	0	30	-1.0	-44.61	266.63	4.86	-39.75
CC1=CC2=C(OCC2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676260	1	30	-1.0	-44.59	266.69	4.88	-39.71
CC(C)OCC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004676261	0	38	-1.0	-38.99	323.81	6.07	-32.92
CC(C)OCC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004676261	1	38	-1.0	-38.96	323.87	6.08	-32.88
O=C(CC1CCCNC(=O)C1)OCC1=N[N-]N=N1	REAL250004676262	0	32	-1.0	-48.42	264.67	1.36	-47.06
O=C(CC1CCCNC(=O)C1)OCC1=NN=N[N-]1	REAL250004676262	1	32	-1.0	-48.43	264.73	1.38	-47.05
CC1(C(=O)OCC2=N[N-]N=N2)CC1C(F)(F)F	REAL250004676263	0	25	-1.0	-36.04	235.34	3.74	-32.30
CC1(C(=O)OCC2=NN=N[N-]2)CC1C(F)(F)F	REAL250004676263	1	25	-1.0	-36.03	235.40	3.76	-32.27
O=C(OCC1=N[N-]N=N1)C1CCCCC12CCC2	REAL250004676264	0	35	-1.0	-38.22	270.72	5.60	-32.62
O=C(OCC1=NN=N[N-]1)C1CCCCC12CCC2	REAL250004676264	1	35	-1.0	-38.21	270.77	5.62	-32.59
CC12CC(C(=O)OCC3=N[N-]N=N3)(CO1)CCC2	REAL250004676265	0	33	-1.0	-37.07	265.28	3.17	-33.90
CC12CC(C(=O)OCC3=NN=N[N-]3)(CO1)CCC2	REAL250004676265	1	33	-1.0	-37.04	265.34	3.19	-33.85
CN1C=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004676266	0	28	-1.0	-50.80	258.22	5.25	-45.55
CN1C=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004676266	1	28	-1.0	-50.83	258.17	5.24	-45.59
O=C(OCC1=N[N-]N=N1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004676267	0	38	-1.0	-38.17	307.95	7.35	-30.82
O=C(OCC1=NN=N[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL250004676267	1	38	-1.0	-38.16	308.00	7.36	-30.80
O=C(OCC1=N[N-]N=N1)C12CCCCC1C2(F)F	REAL250004676268	0	29	-1.0	-38.19	250.45	4.71	-33.48
O=C(OCC1=NN=N[N-]1)C12CCCCC1C2(F)F	REAL250004676268	1	29	-1.0	-38.19	250.50	4.72	-33.47
O=C(OCC1=NN=N[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL250004676269	0	32	-1.0	-35.16	289.01	5.01	-30.15
O=C(OCC1=N[N-]N=N1)C1=C(Cl)C=NN1C1CCCC1	REAL250004676269	1	32	-1.0	-35.20	288.96	4.99	-30.21
O=C(OCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004676270	0	28	-1.0	-40.46	276.63	4.87	-35.59
O=C(OCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)S1	REAL250004676270	1	28	-1.0	-40.47	276.57	4.85	-35.62
CN1C=NC2=C1CCCC2C(=O)OCC1=N[N-]N=N1	REAL250004676271	0	32	-1.0	-49.27	273.65	5.45	-43.82
CN1C=NC2=C1CCCC2C(=O)OCC1=NN=N[N-]1	REAL250004676271	1	32	-1.0	-49.21	273.71	5.46	-43.75
CP(C)(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676273	0	31	-1.0	-46.34	290.32	3.35	-42.99
CP(C)(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676273	1	31	-1.0	-46.33	290.38	3.36	-42.97
CN=S(C)(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676274	0	32	-1.0	-45.26	298.42	1.21	-44.05
CN=S(C)(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676274	1	32	-1.0	-45.23	298.47	1.22	-44.01
CC1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL250004676275	0	37	-1.0	-41.49	310.05	4.97	-36.52
CC1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL250004676275	1	37	-1.0	-41.52	310.11	4.99	-36.53
CCCSC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676276	0	32	-1.0	-39.04	293.42	6.43	-32.61
CCCSC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676276	1	32	-1.0	-38.99	293.48	6.45	-32.54
COC1=CC=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004676277	0	25	-1.0	-42.25	250.81	0.89	-41.36
COC1=CC=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004676277	1	25	-1.0	-42.28	250.75	0.88	-41.40
COC1=CC=C2C(=C1)CCCC2C(=O)OCC1=N[N-]N=N1	REAL250004676278	0	36	-1.0	-40.00	296.20	5.49	-34.51
COC1=CC=C2C(=C1)CCCC2C(=O)OCC1=NN=N[N-]1	REAL250004676278	1	36	-1.0	-40.01	296.25	5.50	-34.51
CCCCSC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676279	0	35	-1.0	-38.90	314.92	7.21	-31.69
CCCCSC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676279	1	35	-1.0	-38.90	314.98	7.23	-31.67
CC1=NC=NC2=C1CC(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004676280	0	33	-1.0	-37.72	279.69	4.71	-33.01
CC1=NC=NC2=C1CC(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004676280	1	33	-1.0	-37.70	279.74	4.73	-32.97
CC(C)N(C)C(=O)CCC(=O)OCC1=N[N-]N=N1	REAL250004676281	0	34	-1.0	-40.99	287.78	3.36	-37.63
CC(C)N(C)C(=O)CCC(=O)OCC1=NN=N[N-]1	REAL250004676281	1	34	-1.0	-40.98	287.84	3.37	-37.61
CC1C(=O)N(CC(=O)OCC2=N[N-]N=N2)C(=O)C1C	REAL250004676282	0	31	-1.0	-44.81	279.40	2.79	-42.02
CC1C(=O)N(CC(=O)OCC2=NN=N[N-]2)C(=O)C1C	REAL250004676282	1	31	-1.0	-44.81	279.46	2.81	-42.00
O=C(OCC1=N[N-]N=N1)C1CCC(OC(F)(F)F)CC1	REAL250004676283	0	32	-1.0	-39.19	281.04	3.74	-35.45
O=C(OCC1=NN=N[N-]1)C1CCC(OC(F)(F)F)CC1	REAL250004676283	1	32	-1.0	-39.19	281.09	3.76	-35.43
O=C(CC1=CSC(Cl)=C1)OCC1=N[N-]N=N1	REAL250004676284	0	22	-1.0	-37.19	239.44	4.12	-33.07
O=C(CC1=CSC(Cl)=C1)OCC1=NN=N[N-]1	REAL250004676284	1	22	-1.0	-37.22	239.50	4.14	-33.08
CC(C)OC1=CC=C(F)C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676285	0	32	-1.0	-43.10	283.78	5.42	-37.68
CC(C)OC1=CC=C(F)C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676285	1	32	-1.0	-43.09	283.84	5.44	-37.65
CC(CC(=O)OCC1=N[N-]N=N1)CC(F)(F)F	REAL250004676286	0	27	-1.0	-38.77	245.09	3.85	-34.92
CC(CC(=O)OCC1=NN=N[N-]1)CC(F)(F)F	REAL250004676286	1	27	-1.0	-38.78	245.15	3.86	-34.92
O=C(CC1CCC2(CCCC2)CC1)OCC1=N[N-]N=N1	REAL250004676287	0	41	-1.0	-36.94	310.19	6.89	-30.05
O=C(CC1CCC2(CCCC2)CC1)OCC1=NN=N[N-]1	REAL250004676287	1	41	-1.0	-36.89	310.25	6.91	-29.98
COC1=NC=C(C(=O)OCC2=N[N-]N=N2)C(C(F)F)=N1	REAL250004676288	0	27	-1.0	-37.69	258.36	-0.84	-38.53
COC1=NC=C(C(=O)OCC2=NN=N[N-]2)C(C(F)F)=N1	REAL250004676288	1	27	-1.0	-37.70	258.41	-0.82	-38.52
CC1COC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004676289	0	30	-1.0	-44.28	266.03	4.83	-39.45
CC1COC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004676289	1	30	-1.0	-44.28	266.09	4.85	-39.43
O=C(OCC1=N[N-]N=N1)C1=CN=C2CCOCC2=C1	REAL250004676290	0	29	-1.0	-39.23	259.21	2.04	-37.19
O=C(OCC1=NN=N[N-]1)C1=CN=C2CCOCC2=C1	REAL250004676290	1	29	-1.0	-39.26	259.26	2.06	-37.20
O=C(CC1COCC2=CC=CC=C21)OCC1=N[N-]N=N1	REAL250004676291	0	33	-1.0	-38.63	277.75	4.34	-34.29
O=C(CC1COCC2=CC=CC=C21)OCC1=NN=N[N-]1	REAL250004676291	1	33	-1.0	-38.63	277.81	4.35	-34.28
O=C(CC1CCCCCC1(F)F)OCC1=N[N-]N=N1	REAL250004676292	0	34	-1.0	-39.30	269.62	5.17	-34.13
O=C(CC1CCCCCC1(F)F)OCC1=NN=N[N-]1	REAL250004676292	1	34	-1.0	-39.29	269.68	5.19	-34.10
CC1CC(C(=O)OCC2=N[N-]N=N2)CCS1(=O)=O	REAL250004676293	0	31	-1.0	-43.17	273.67	0.82	-42.35
CC1CC(C(=O)OCC2=NN=N[N-]2)CCS1(=O)=O	REAL250004676293	1	31	-1.0	-43.19	273.73	0.83	-42.36
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL250004676294	0	35	-1.0	-37.89	268.71	5.59	-32.30
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL250004676294	1	35	-1.0	-37.86	268.77	5.60	-32.26
CC(C1CC1)N1CC(C(=O)OCC2=N[N-]N=N2)CC1=O	REAL250004676295	0	36	-1.0	-43.32	299.23	4.39	-38.93
CC(C1CC1)N1CC(C(=O)OCC2=NN=N[N-]2)CC1=O	REAL250004676295	1	36	-1.0	-43.28	299.29	4.41	-38.87
O=C(OCC1=N[N-]N=N1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004676296	0	36	-1.0	-38.26	295.78	7.31	-30.95
O=C(OCC1=NN=N[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250004676296	1	36	-1.0	-38.29	295.83	7.33	-30.96
CCC1=CN2CC(C(=O)OCC3=N[N-]N=N3)CCC2=N1	REAL250004676297	0	35	-1.0	-38.02	296.55	5.34	-32.68
CCC1=CN2CC(C(=O)OCC3=NN=N[N-]3)CCC2=N1	REAL250004676297	1	35	-1.0	-38.02	296.61	5.35	-32.67
O=C(CCC12CCC(CC1)C2)OCC1=N[N-]N=N1	REAL250004676298	0	35	-1.0	-36.38	281.11	5.88	-30.50
O=C(CCC12CCC(CC1)C2)OCC1=NN=N[N-]1	REAL250004676298	1	35	-1.0	-36.37	281.17	5.89	-30.48
O=C(CC12CC(C1)C(=O)NC2)OCC1=N[N-]N=N1	REAL250004676299	0	30	-1.0	-41.87	255.72	0.97	-40.90
O=C(CC12CC(C1)C(=O)NC2)OCC1=NN=N[N-]1	REAL250004676299	1	30	-1.0	-41.85	255.78	0.99	-40.86
O=C(OCC1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004676300	0	35	-1.0	-40.43	313.07	8.24	-32.19
O=C(OCC1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL250004676300	1	35	-1.0	-40.39	313.12	8.26	-32.13
O=C(OCC1=N[N-]N=N1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004676301	0	27	-1.0	-44.28	259.07	3.56	-40.72
O=C(OCC1=NN=N[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250004676301	1	27	-1.0	-44.25	259.13	3.57	-40.68
CC1(C)CC2=CC=CC(CC(=O)OCC3=N[N-]N=N3)=C2O1	REAL250004676302	0	36	-1.0	-42.29	309.79	5.78	-36.51
CC1(C)CC2=CC=CC(CC(=O)OCC3=NN=N[N-]3)=C2O1	REAL250004676302	1	36	-1.0	-42.30	309.84	5.79	-36.51
CN1C=NC2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2C1=O	REAL250004676303	0	30	-1.0	-46.68	276.48	4.45	-42.23
CN1C=NC2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2C1=O	REAL250004676303	1	30	-1.0	-46.67	276.42	4.44	-42.23
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL250004676304	0	29	-1.0	-38.89	270.29	5.43	-33.46
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL250004676304	1	29	-1.0	-38.86	270.35	5.45	-33.41
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004676305	0	22	-1.0	-33.37	249.01	4.82	-28.55
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL250004676305	1	22	-1.0	-33.37	249.07	4.84	-28.53
O=C(OCC1=NN=N[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004676306	0	29	-1.0	-46.61	269.42	0.47	-46.14
O=C(OCC1=N[N-]N=N1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250004676306	1	29	-1.0	-46.58	269.36	0.46	-46.12
CC1CCC(OCCCC(=O)OCC2=N[N-]N=N2)CC1	REAL250004676307	0	41	-1.0	-38.50	330.08	5.79	-32.71
CC1CCC(OCCCC(=O)OCC2=NN=N[N-]2)CC1	REAL250004676307	1	41	-1.0	-38.47	330.15	5.81	-32.66
O=C(CC1CC2=CC=CC=C2NC1=O)OCC1=N[N-]N=N1	REAL250004676308	0	33	-1.0	-45.44	285.90	4.38	-41.06
O=C(CC1CC2=CC=CC=C2NC1=O)OCC1=NN=N[N-]1	REAL250004676308	1	33	-1.0	-45.45	285.96	4.39	-41.06
CC1(C)C(=O)NC2CCC(C(=O)OCC3=N[N-]N=N3)CC21	REAL250004676309	0	39	-1.0	-39.65	311.09	2.33	-37.32
CC1(C)C(=O)NC2CCC(C(=O)OCC3=NN=N[N-]3)CC21	REAL250004676309	1	39	-1.0	-39.65	311.14	2.34	-37.31
O=C(OCC1=NN=N[N-]1)C1=CC=C2SN=CC2=C1	REAL250004676310	0	24	-1.0	-37.05	241.95	3.96	-33.09
O=C(OCC1=N[N-]N=N1)C1=CC=C2SN=CC2=C1	REAL250004676310	1	24	-1.0	-37.10	241.89	3.95	-33.15
O=C(CC1CCCCC1(F)F)OCC1=N[N-]N=N1	REAL250004676311	0	31	-1.0	-37.03	262.24	4.82	-32.21
O=C(CC1CCCCC1(F)F)OCC1=NN=N[N-]1	REAL250004676311	1	31	-1.0	-37.03	262.30	4.83	-32.20
CN1N=CC=C1C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676312	0	32	-1.0	-40.41	285.57	4.75	-35.66
CN1N=CC=C1C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676312	1	32	-1.0	-40.44	285.51	4.74	-35.70
O=C(OCC1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL250004676313	0	32	-1.0	-42.04	268.92	0.95	-41.09
O=C(OCC1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL250004676313	1	32	-1.0	-42.02	268.97	0.96	-41.06
O=C(OCC1=N[N-]N=N1)C1CCCC2=NC=CC=C21	REAL250004676314	0	31	-1.0	-38.35	261.75	4.38	-33.97
O=C(OCC1=NN=N[N-]1)C1CCCC2=NC=CC=C21	REAL250004676314	1	31	-1.0	-38.37	261.80	4.40	-33.97
CN1C=C(SCC(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676315	0	26	-1.0	-40.73	256.18	2.86	-37.87
CN1C=C(SCC(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676315	1	26	-1.0	-40.73	256.12	2.84	-37.89
O=C(CCC1=C(F)C=CC=C1Cl)OCC1=N[N-]N=N1	REAL250004676316	0	28	-1.0	-39.20	273.17	5.81	-33.39
O=C(CCC1=C(F)C=CC=C1Cl)OCC1=NN=N[N-]1	REAL250004676316	1	28	-1.0	-39.20	273.23	5.83	-33.37
CN1C=C(C(=O)OCC2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL250004676317	0	29	-1.0	-43.43	281.02	6.01	-37.42
CN1C=C(C(=O)OCC2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL250004676317	1	29	-1.0	-43.44	281.08	6.02	-37.42
O=C(OCC1=N[N-]N=N1)C1=CC=C(CCF)C=C1	REAL250004676318	0	28	-1.0	-39.16	259.75	5.36	-33.80
O=C(OCC1=NN=N[N-]1)C1=CC=C(CCF)C=C1	REAL250004676318	1	28	-1.0	-39.17	259.81	5.38	-33.79
O=C(OCC1=N[N-]N=N1)C1CC2=CSC=C2C1	REAL250004676319	0	26	-1.0	-36.50	244.89	4.59	-31.91
O=C(OCC1=NN=N[N-]1)C1CC2=CSC=C2C1	REAL250004676319	1	26	-1.0	-36.51	244.95	4.61	-31.90
CC1=CN2C=C(C(=O)OCC3=N[N-]N=N3)C=CC2=N1	REAL250004676320	0	28	-1.0	-39.12	258.54	4.93	-34.19
CC1=CN2C=C(C(=O)OCC3=NN=N[N-]3)C=CC2=N1	REAL250004676320	1	28	-1.0	-39.14	258.60	4.94	-34.20
CC1=NC(C(=O)OCC2=N[N-]N=N2)=C2C=CNC2=N1	REAL250004676321	0	27	-1.0	-46.24	252.18	2.75	-43.49
CC1=NC(C(=O)OCC2=NN=N[N-]2)=C2C=CNC2=N1	REAL250004676321	1	27	-1.0	-46.22	252.23	2.77	-43.45
CCC1=CC=CC(CC)=C1CC(=O)OCC1=N[N-]N=N1	REAL250004676322	0	37	-1.0	-38.06	300.85	6.88	-31.18
CCC1=CC=CC(CC)=C1CC(=O)OCC1=NN=N[N-]1	REAL250004676322	1	37	-1.0	-38.07	300.90	6.88	-31.19
CC1(C)CCCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676323	0	37	-1.0	-36.61	275.28	5.30	-31.31
CC1(C)CCCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676323	1	37	-1.0	-36.60	275.34	5.31	-31.29
CC(C)[C@H]1CC[C@@H](C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676324	0	37	-1.0	-38.33	284.10	5.66	-32.67
CC(C)[C@H]1CC[C@@H](C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676324	1	37	-1.0	-38.30	284.15	5.67	-32.63
CC(C)N1C=C(C2CC2C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676325	0	35	-1.0	-40.73	305.06	5.15	-35.58
CC(C)N1C=C(C2CC2C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676325	1	35	-1.0	-40.74	305.00	5.13	-35.61
CN1C=NC2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2C1=O	REAL250004676326	0	30	-1.0	-44.70	276.49	4.47	-40.23
CN1C=NC2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2C1=O	REAL250004676326	1	30	-1.0	-44.74	276.43	4.45	-40.29
O=C(OCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL250004676327	0	29	-1.0	-41.63	274.55	4.34	-37.29
O=C(OCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL250004676327	1	29	-1.0	-41.65	274.61	4.35	-37.30
NC(=O)C1=CC(F)=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676328	0	26	-1.0	-42.88	251.18	0.63	-42.25
NC(=O)C1=CC(F)=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676328	1	26	-1.0	-42.87	251.24	0.64	-42.23
CN1N=C(Br)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004676329	0	21	-1.0	-39.58	228.26	0.42	-39.16
CN1N=C(Br)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004676329	1	21	-1.0	-39.59	228.21	0.41	-39.18
O=C(CC1=CC=CC(OCC2CC2)=C1)OCC1=N[N-]N=N1	REAL250004676330	0	36	-1.0	-40.19	315.45	6.37	-33.82
O=C(CC1=CC=CC(OCC2CC2)=C1)OCC1=NN=N[N-]1	REAL250004676330	1	36	-1.0	-40.18	315.50	6.38	-33.80
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004676331	0	30	-1.0	-44.59	281.34	6.58	-38.01
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL250004676331	1	30	-1.0	-44.58	281.39	6.59	-37.99
O=C(OCC1=N[N-]N=N1)C1CCOC2(CCCCC2)C1	REAL250004676332	0	39	-1.0	-36.61	300.06	4.87	-31.74
O=C(OCC1=NN=N[N-]1)C1CCOC2(CCCCC2)C1	REAL250004676332	1	39	-1.0	-36.62	300.12	4.89	-31.73
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL250004676333	0	34	-1.0	-39.60	291.38	7.15	-32.45
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL250004676333	1	34	-1.0	-39.56	291.43	7.17	-32.39
O=C(CC1CC2(CCC2)CO1)OCC1=N[N-]N=N1	REAL250004676334	0	33	-1.0	-40.14	275.88	4.12	-36.02
O=C(CC1CC2(CCC2)CO1)OCC1=NN=N[N-]1	REAL250004676334	1	33	-1.0	-40.15	275.94	4.14	-36.01
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC(F)=C1F	REAL250004676335	0	26	-1.0	-36.26	252.25	3.20	-33.06
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC(F)=C1F	REAL250004676335	1	26	-1.0	-36.25	252.31	3.21	-33.04
COC1=CC2=CC=CN=C2C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676336	0	31	-1.0	-45.51	278.82	3.83	-41.68
COC1=CC2=CC=CN=C2C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676336	1	31	-1.0	-45.50	278.76	3.82	-41.68
O=C(CC1CCC(=O)NC1=O)OCC1=N[N-]N=N1	REAL250004676337	0	28	-1.0	-48.49	249.18	1.03	-47.46
O=C(CC1CCC(=O)NC1=O)OCC1=NN=N[N-]1	REAL250004676337	1	28	-1.0	-48.49	249.23	1.04	-47.45
CC(C)(C)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C(Cl)=N1	REAL250004676338	0	33	-1.0	-37.76	297.20	4.93	-32.83
CC(C)(C)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C(Cl)=N1	REAL250004676338	1	33	-1.0	-37.75	297.14	4.91	-32.84
O=C(OCC1=N[N-]N=N1)C1CCC2(CCOCC2)O1	REAL250004676339	0	34	-1.0	-39.25	280.99	2.69	-36.56
O=C(OCC1=NN=N[N-]1)C1CCC2(CCOCC2)O1	REAL250004676339	1	34	-1.0	-39.24	281.05	2.71	-36.53
CC(C(=O)OCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004676340	0	28	-1.0	-37.93	263.16	5.47	-32.46
CC(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004676340	1	28	-1.0	-37.90	263.22	5.48	-32.42
O=C(OCC1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004676341	0	34	-1.0	-41.58	307.45	6.44	-35.14
O=C(OCC1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL250004676341	1	34	-1.0	-41.55	307.51	6.45	-35.10
O=C(OCC1=N[N-]N=N1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004676342	0	25	-1.0	-36.24	261.45	4.72	-31.52
O=C(OCC1=NN=N[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL250004676342	1	25	-1.0	-36.21	261.51	4.73	-31.48
CC(C(=O)OCC1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL250004676343	0	32	-1.0	-37.06	281.86	4.28	-32.78
CC(C(=O)OCC1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL250004676343	1	32	-1.0	-37.04	281.91	4.29	-32.75
O=C(OCC1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004676344	0	34	-1.0	-40.81	289.81	-0.48	-41.29
O=C(OCC1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL250004676344	1	34	-1.0	-40.81	289.86	-0.47	-41.28
CCCN1C=C(Cl)C(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004676345	0	28	-1.0	-45.35	272.01	3.69	-41.66
CCCN1C=C(Cl)C(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004676345	1	28	-1.0	-45.37	271.95	3.68	-41.69
COC(=O)C1CCC(C(=O)OCC2=N[N-]N=N2)C1	REAL250004676346	0	31	-1.0	-39.12	269.27	4.06	-35.06
COC(=O)C1CCC(C(=O)OCC2=NN=N[N-]2)C1	REAL250004676346	1	31	-1.0	-39.13	269.33	4.08	-35.05
CC1=C(C(=O)OCC2=NN=N[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL250004676347	0	34	-1.0	-40.52	309.31	6.33	-34.19
CC1=C(C(=O)OCC2=N[N-]N=N2)C(C2=CC=C(C)C=C2)=NO1	REAL250004676347	1	34	-1.0	-40.53	309.25	6.32	-34.21
CSC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL250004676348	0	29	-1.0	-40.64	269.88	5.47	-35.17
CSC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL250004676348	1	29	-1.0	-40.60	269.93	5.48	-35.12
NC(=O)C1=CC=C(F)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676349	0	26	-1.0	-51.92	249.30	0.60	-51.32
NC(=O)C1=CC=C(F)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676349	1	26	-1.0	-51.94	249.36	0.61	-51.33
CC1=CC(C(=O)OCC2=N[N-]N=N2)=C(Cl)N=C1C	REAL250004676350	0	27	-1.0	-38.88	256.56	3.48	-35.40
CC1=CC(C(=O)OCC2=NN=N[N-]2)=C(Cl)N=C1C	REAL250004676350	1	27	-1.0	-38.86	256.61	3.49	-35.37
O=C(OCC1=NN=N[N-]1)C1(C2=NC=CC=C2F)CC1	REAL250004676351	0	28	-1.0	-42.80	265.29	4.13	-38.67
O=C(OCC1=N[N-]N=N1)C1(C2=NC=CC=C2F)CC1	REAL250004676351	1	28	-1.0	-42.77	265.23	4.11	-38.66
O=C(OCC1=N[N-]N=N1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004676352	0	32	-1.0	-37.30	288.30	6.65	-30.65
O=C(OCC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250004676352	1	32	-1.0	-37.28	288.35	6.67	-30.61
CC1=NN(CC(F)(F)F)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676353	0	28	-1.0	-37.67	269.42	3.43	-34.24
CC1=NN(CC(F)(F)F)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676353	1	28	-1.0	-37.63	269.48	3.44	-34.19
CC1=C(C(=O)OCC2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL250004676354	0	24	-1.0	-33.35	252.58	3.35	-30.00
CC1=C(C(=O)OCC2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL250004676354	1	24	-1.0	-33.34	252.52	3.33	-30.01
CC1(C(=O)OCC2=N[N-]N=N2)CCCCNC1=O	REAL250004676355	0	32	-1.0	-49.24	252.86	1.70	-47.54
CC1(C(=O)OCC2=NN=N[N-]2)CCCCNC1=O	REAL250004676355	1	32	-1.0	-49.23	252.92	1.72	-47.51
CCNC(=O)N1CCC(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676356	0	37	-1.0	-41.88	305.65	2.68	-39.20
CCNC(=O)N1CCC(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676356	1	37	-1.0	-41.80	305.71	2.70	-39.10
COC1=CC([C@@H](C)CC(=O)OCC2=N[N-]N=N2)=CC=C1C	REAL250004676357	0	38	-1.0	-38.23	316.83	5.75	-32.48
COC1=CC([C@@H](C)CC(=O)OCC2=NN=N[N-]2)=CC=C1C	REAL250004676357	1	38	-1.0	-38.23	316.89	5.76	-32.47
O=C(C=CC1=CC=C2CCOCC2=C1)OCC1=N[N-]N=N1	REAL250004676358	0	34	-1.0	-39.99	295.91	5.10	-34.89
O=C(C=CC1=CC=C2CCOCC2=C1)OCC1=NN=N[N-]1	REAL250004676358	1	34	-1.0	-39.98	295.96	5.12	-34.86
O=C(OCC1=N[N-]N=N1)C1CCCC2(CCC2)C1	REAL250004676359	0	35	-1.0	-36.69	278.57	5.76	-30.93
O=C(OCC1=NN=N[N-]1)C1CCCC2(CCC2)C1	REAL250004676359	1	35	-1.0	-36.68	278.63	5.78	-30.90
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004676360	0	38	-1.0	-38.92	325.50	6.02	-32.90
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004676360	1	38	-1.0	-38.93	325.56	6.03	-32.90
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004676361	0	38	-1.0	-40.66	327.67	6.16	-34.50
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004676361	1	38	-1.0	-40.69	327.62	6.14	-34.55
C#CC1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL250004676362	0	28	-1.0	-41.10	268.59	5.23	-35.87
C#CC1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL250004676362	1	28	-1.0	-41.10	268.64	5.25	-35.85
O=C(OCC1=N[N-]N=N1)C1CC2CCCCCCC21	REAL250004676363	0	38	-1.0	-36.82	283.85	6.09	-30.73
O=C(OCC1=NN=N[N-]1)C1CC2CCCCCCC21	REAL250004676363	1	38	-1.0	-36.85	283.91	6.10	-30.75
O=C(OCC1=N[N-]N=N1)C1=NN2CC3(CC3)CC2=C1	REAL250004676364	0	30	-1.0	-45.68	269.75	3.76	-41.92
O=C(OCC1=NN=N[N-]1)C1=NN2CC3(CC3)CC2=C1	REAL250004676364	1	30	-1.0	-45.65	269.81	3.78	-41.87
COC12CCC(C(=O)OCC3=N[N-]N=N3)(CC1)C2	REAL250004676365	0	33	-1.0	-37.19	272.21	3.24	-33.95
COC12CCC(C(=O)OCC3=NN=N[N-]3)(CC1)C2	REAL250004676365	1	33	-1.0	-37.17	272.27	3.25	-33.92
O=C(CC1=CC=C2OC=NC2=C1)OCC1=N[N-]N=N1	REAL250004676366	0	27	-1.0	-43.65	254.14	1.46	-42.19
O=C(CC1=CC=C2OC=NC2=C1)OCC1=NN=N[N-]1	REAL250004676366	1	27	-1.0	-43.68	254.20	1.48	-42.20
CC1=NC2=C(C#N)C=NN2C=C1C(=O)OCC1=N[N-]N=N1	REAL250004676367	0	28	-1.0	-38.28	269.83	3.84	-34.44
CC1=NC2=C(C#N)C=NN2C=C1C(=O)OCC1=NN=N[N-]1	REAL250004676367	1	28	-1.0	-38.28	269.88	3.85	-34.43
CC1=C(C(=O)OCC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004676368	0	28	-1.0	-41.66	252.42	4.70	-36.96
CC1=C(C(=O)OCC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004676368	1	28	-1.0	-41.62	252.47	4.71	-36.91
CC(C)CC1=NC=CC(C(=O)OCC2=N[N-]N=N2)=N1	REAL250004676369	0	32	-1.0	-41.83	283.58	3.74	-38.09
CC(C)CC1=NC=CC(C(=O)OCC2=NN=N[N-]2)=N1	REAL250004676369	1	32	-1.0	-41.79	283.64	3.76	-38.03
O=C(OCC1=N[N-]N=N1)C12CC3CC(CC(C3)O1)C2	REAL250004676370	0	34	-1.0	-40.73	265.94	3.76	-36.97
O=C(OCC1=NN=N[N-]1)C12CC3CC(CC(C3)O1)C2	REAL250004676370	1	34	-1.0	-40.75	266.00	3.77	-36.98
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CS2)CCOCC1	REAL250004676371	0	33	-1.0	-37.42	285.01	4.06	-33.36
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CS2)CCOCC1	REAL250004676371	1	33	-1.0	-37.43	285.07	4.07	-33.36
CC1=CC=C(C(C(=O)OCC2=N[N-]N=N2)C2CC2)C=C1	REAL250004676372	0	35	-1.0	-38.48	299.02	7.24	-31.24
CC1=CC=C(C(C(=O)OCC2=NN=N[N-]2)C2CC2)C=C1	REAL250004676372	1	35	-1.0	-38.48	299.08	7.26	-31.22
O=C(OCC1=NN=N[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL250004676374	0	24	-1.0	-49.03	249.26	3.07	-45.96
O=C(OCC1=N[N-]N=N1)C1=NN2C=CC=NC2=C1Cl	REAL250004676374	1	24	-1.0	-49.07	249.20	3.06	-46.01
CCC1=C(C(=O)OCC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL250004676375	0	31	-1.0	-41.73	273.91	5.43	-36.30
CCC1=C(C(=O)OCC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL250004676375	1	31	-1.0	-41.70	273.96	5.44	-36.26
CC1=CC(F)=CC=C1C1(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676376	0	32	-1.0	-38.77	283.31	6.35	-32.42
CC1=CC(F)=CC=C1C1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676376	1	32	-1.0	-38.73	283.37	6.36	-32.37
CC1=CC=C(F)C=C1C1(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676377	0	32	-1.0	-39.43	285.10	6.37	-33.06
CC1=CC=C(F)C=C1C1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676377	1	32	-1.0	-39.44	285.16	6.38	-33.06
O=C(OCC1=NN=N[N-]1)C1=NC=C2C=CSC2=C1	REAL250004676378	0	24	-1.0	-43.43	243.04	3.37	-40.06
O=C(OCC1=N[N-]N=N1)C1=NC=C2C=CSC2=C1	REAL250004676378	1	24	-1.0	-43.46	242.98	3.36	-40.10
O=C(OCC1=N[N-]N=N1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004676379	0	31	-1.0	-44.11	282.01	6.42	-37.69
O=C(OCC1=NN=N[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL250004676379	1	31	-1.0	-44.09	282.06	6.43	-37.66
COC1=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL250004676380	0	31	-1.0	-46.23	281.09	3.51	-42.72
COC1=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL250004676380	1	31	-1.0	-46.25	281.04	3.50	-42.75
CC1CC(C)(C(=O)OCC2=N[N-]N=N2)CC(C)O1	REAL250004676381	0	35	-1.0	-37.86	282.11	3.61	-34.25
CC1CC(C)(C(=O)OCC2=NN=N[N-]2)CC(C)O1	REAL250004676381	1	35	-1.0	-37.83	282.16	3.63	-34.20
COCCN1C=CC=C(C(=O)OCC2=N[N-]N=N2)C1=O	REAL250004676382	0	32	-1.0	-65.46	286.35	3.88	-61.58
COCCN1C=CC=C(C(=O)OCC2=NN=N[N-]2)C1=O	REAL250004676382	1	32	-1.0	-65.45	286.40	3.89	-61.56
O=C(OCC1=N[N-]N=N1)C1=C2NC(=O)CCC2=CC=C1	REAL250004676383	0	30	-1.0	-45.87	265.11	3.26	-42.61
O=C(OCC1=NN=N[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL250004676383	1	30	-1.0	-45.87	265.17	3.27	-42.60
O=C(OCC1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL250004676385	0	32	-1.0	-60.57	277.11	5.31	-55.26
O=C(OCC1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250004676385	1	32	-1.0	-60.56	277.16	5.32	-55.24
CN1C2=C(CCCC1=O)OC=C2C(=O)OCC1=N[N-]N=N1	REAL250004676386	0	33	-1.0	-41.22	283.49	3.23	-37.99
CN1C2=C(CCCC1=O)OC=C2C(=O)OCC1=NN=N[N-]1	REAL250004676386	1	33	-1.0	-41.25	283.55	3.25	-38.00
O=C(OCC1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004676387	0	24	-1.0	-41.99	260.13	3.79	-38.20
O=C(OCC1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL250004676387	1	24	-1.0	-41.97	260.07	3.78	-38.19
O=C(CC1=C2NC=CC=C2N=C1)OCC1=N[N-]N=N1	REAL250004676388	0	28	-1.0	-51.98	258.79	2.74	-49.24
O=C(CC1=C2NC=CC=C2N=C1)OCC1=NN=N[N-]1	REAL250004676388	1	28	-1.0	-51.98	258.84	2.76	-49.22
COC1=C2NC=C(CC(=O)OCC3=N[N-]N=N3)C2=CC=C1	REAL250004676389	0	33	-1.0	-43.02	293.85	3.90	-39.12
COC1=C2NC=C(CC(=O)OCC3=NN=N[N-]3)C2=CC=C1	REAL250004676389	1	33	-1.0	-43.02	293.90	3.91	-39.11
COC(=O)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C(C)=C1	REAL250004676390	0	34	-1.0	-40.77	303.92	5.74	-35.03
COC(=O)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C(C)=C1	REAL250004676390	1	34	-1.0	-40.76	303.98	5.75	-35.01
O=C(OCC1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL250004676391	0	29	-1.0	-37.49	271.92	2.37	-35.12
O=C(OCC1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL250004676391	1	29	-1.0	-37.44	271.98	2.38	-35.06
CS(C)(=O)=NC1=CC=NC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676392	0	31	-1.0	-59.63	286.86	0.29	-59.34
CS(C)(=O)=NC1=CC=NC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676392	1	31	-1.0	-59.65	286.91	0.30	-59.35
COC(=O)C1=CSC(CC(=O)OCC2=N[N-]N=N2)=C1	REAL250004676393	0	28	-1.0	-41.70	278.85	4.35	-37.35
COC(=O)C1=CSC(CC(=O)OCC2=NN=N[N-]2)=C1	REAL250004676393	1	28	-1.0	-41.67	278.90	4.37	-37.30
CCCCN1C=C(C(=O)OCC2=NN=N[N-]2)N=N1	REAL250004676394	0	30	-1.0	-45.96	274.14	2.55	-43.41
CCCCN1C=C(C(=O)OCC2=N[N-]N=N2)N=N1	REAL250004676394	1	30	-1.0	-45.98	274.08	2.54	-43.44
C[C@H]1C(=O)N(CC(=O)OCC2=N[N-]N=N2)C(=O)[C@H]1C	REAL250004676395	0	31	-1.0	-44.72	273.72	2.65	-42.07
C[C@H]1C(=O)N(CC(=O)OCC2=NN=N[N-]2)C(=O)[C@H]1C	REAL250004676395	1	31	-1.0	-44.70	273.77	2.66	-42.04
O=C(OCC1=N[N-]N=N1)C1CCC2(CNC(=O)C2)CC1	REAL250004676396	0	36	-1.0	-44.76	290.75	1.97	-42.79
O=C(OCC1=NN=N[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250004676396	1	36	-1.0	-44.75	290.81	1.99	-42.76
COC(=O)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1F	REAL250004676397	0	31	-1.0	-43.07	291.78	5.25	-37.82
COC(=O)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1F	REAL250004676397	1	31	-1.0	-43.08	291.83	5.27	-37.81
COC(=O)[C@@H]1[C@H](C(=O)OCC2=N[N-]N=N2)C1(C)C	REAL250004676398	0	31	-1.0	-40.93	269.83	4.26	-36.67
COC(=O)[C@@H]1[C@H](C(=O)OCC2=NN=N[N-]2)C1(C)C	REAL250004676398	1	31	-1.0	-40.90	269.89	4.28	-36.62
CCCC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1C	REAL250004676399	0	31	-1.0	-44.89	276.88	3.61	-41.28
CCCC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1C	REAL250004676399	1	31	-1.0	-44.91	276.94	3.62	-41.29
CCCC1=NN(C)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004676400	0	31	-1.0	-35.81	274.20	3.70	-32.11
CCCC1=NN(C)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004676400	1	31	-1.0	-35.80	274.25	3.71	-32.09
O=C(OCC1=N[N-]N=N1)C1=C2CCCCC2=NNC1=O	REAL250004676402	0	31	-1.0	-49.33	265.65	2.50	-46.83
O=C(OCC1=NN=N[N-]1)C1=C2CCCCC2=NNC1=O	REAL250004676402	1	31	-1.0	-49.31	265.71	2.51	-46.80
CC(C)CC1=CC(C(=O)OCC2=N[N-]N=N2)=NO1	REAL250004676403	0	30	-1.0	-41.68	270.37	4.03	-37.65
CC(C)CC1=CC(C(=O)OCC2=NN=N[N-]2)=NO1	REAL250004676403	1	30	-1.0	-41.68	270.43	4.05	-37.63
O=C(OCC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)S1	REAL250004676404	0	32	-1.0	-39.53	293.22	2.59	-36.94
O=C(OCC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)S1	REAL250004676404	1	32	-1.0	-39.55	293.27	2.60	-36.95
CC1=NC=C2C=CC(C(=O)OCC3=NN=N[N-]3)=CN21	REAL250004676405	1	28	-1.0	-38.66	258.78	5.03	-33.63
O=C(OCC1=N[N-]N=N1)C1=CN=C2COCCC2=C1	REAL250004676406	0	29	-1.0	-38.87	259.21	2.05	-36.82
O=C(OCC1=NN=N[N-]1)C1=CN=C2COCCC2=C1	REAL250004676406	1	29	-1.0	-38.86	259.27	2.06	-36.80
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004676407	0	30	-1.0	-35.36	272.97	5.65	-29.71
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004676407	1	30	-1.0	-35.35	273.03	5.66	-29.69
CC1=CC(C(=O)OCC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL250004676408	0	28	-1.0	-46.43	271.94	3.30	-43.13
CC1=CC(C(=O)OCC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL250004676408	1	28	-1.0	-46.42	272.00	3.31	-43.11
CN1C=C(C(=O)OCC2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL250004676409	0	29	-1.0	-40.34	275.50	5.81	-34.53
CN1C=C(C(=O)OCC2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL250004676409	1	29	-1.0	-40.33	275.56	5.83	-34.50
CC1=C(C2=CC=CC=C2)ON=C1C(=O)OCC1=NN=N[N-]1	REAL250004676410	0	31	-1.0	-41.74	285.62	5.48	-36.26
CC1=C(C2=CC=CC=C2)ON=C1C(=O)OCC1=N[N-]N=N1	REAL250004676410	1	31	-1.0	-41.74	285.56	5.46	-36.28
O=C(OCC1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL250004676411	0	27	-1.0	-38.35	257.66	2.52	-35.83
O=C(OCC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250004676411	1	27	-1.0	-38.35	257.72	2.53	-35.82
O=C(OCC1=NN=N[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004676412	0	27	-1.0	-40.12	261.65	2.38	-37.74
O=C(OCC1=N[N-]N=N1)C1=CN=CC(N2C=CC=N2)=N1	REAL250004676412	1	27	-1.0	-40.15	261.59	2.37	-37.78
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250004676413	0	27	-1.0	-39.66	253.29	4.21	-35.45
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC2=CN=CC=C21	REAL250004676413	1	27	-1.0	-39.69	253.24	4.19	-35.50
CN1N=NC=C1C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676414	0	31	-1.0	-42.47	279.74	3.53	-38.94
CN1N=NC=C1C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676414	1	31	-1.0	-42.48	279.80	3.55	-38.93
CC1=C(F)C=CC=C1C1(C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676415	0	32	-1.0	-39.83	282.05	6.31	-33.52
CC1=C(F)C=CC=C1C1(C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676415	1	32	-1.0	-39.78	282.10	6.32	-33.46
O=C(OCC1=N[N-]N=N1)C1(C2=CC=CS2)CCCC1	REAL250004676416	0	32	-1.0	-38.26	279.19	5.87	-32.39
O=C(OCC1=NN=N[N-]1)C1(C2=CC=CS2)CCCC1	REAL250004676416	1	32	-1.0	-38.26	279.25	5.89	-32.37
C=C(C)[C@@H]1OCCC[C@H]1C(=O)OCC1=N[N-]N=N1	REAL250004676417	0	33	-1.0	-36.50	275.07	3.51	-32.99
C=C(C)[C@@H]1OCCC[C@H]1C(=O)OCC1=NN=N[N-]1	REAL250004676417	1	33	-1.0	-36.48	275.13	3.52	-32.96
O=C(OCC1=NN=N[N-]1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004676418	0	29	-1.0	-49.19	269.27	5.85	-43.34
O=C(OCC1=N[N-]N=N1)C1=CC=CC(N2C=CC=C2)=N1	REAL250004676418	1	29	-1.0	-49.18	269.21	5.84	-43.34
O=C(CCC1=CC=C2OC=NC2=C1)OCC1=N[N-]N=N1	REAL250004676419	0	30	-1.0	-42.82	275.54	2.27	-40.55
O=C(CCC1=CC=C2OC=NC2=C1)OCC1=NN=N[N-]1	REAL250004676419	1	30	-1.0	-42.80	275.60	2.28	-40.52
CC1=C(C(N)=O)C=CC=C1C(=O)OCC1=N[N-]N=N1	REAL250004676420	0	29	-1.0	-44.64	254.93	1.11	-43.53
CC1=C(C(N)=O)C=CC=C1C(=O)OCC1=NN=N[N-]1	REAL250004676420	1	29	-1.0	-44.66	254.99	1.12	-43.54
CN1N=C(C(F)(F)F)C=C1CC(=O)OCC1=N[N-]N=N1	REAL250004676421	0	28	-1.0	-40.34	274.04	3.06	-37.28
CN1N=C(C(F)(F)F)C=C1CC(=O)OCC1=NN=N[N-]1	REAL250004676421	1	28	-1.0	-40.34	274.10	3.08	-37.26
CCC1=CN2CCC(C(=O)OCC3=N[N-]N=N3)CC2=N1	REAL250004676422	0	35	-1.0	-42.77	296.55	5.36	-37.41
CCC1=CN2CCC(C(=O)OCC3=NN=N[N-]3)CC2=N1	REAL250004676422	1	35	-1.0	-42.74	296.61	5.38	-37.36
O=C(CC1CCCC2CCCCC12)OCC1=N[N-]N=N1	REAL250004676423	0	41	-1.0	-36.32	303.18	6.67	-29.65
O=C(CC1CCCC2CCCCC12)OCC1=NN=N[N-]1	REAL250004676423	1	41	-1.0	-36.34	303.24	6.69	-29.65
COC1=C2C(C(=O)OCC3=N[N-]N=N3)=CSC2=CC=C1	REAL250004676424	0	29	-1.0	-43.12	270.17	5.24	-37.88
COC1=C2C(C(=O)OCC3=NN=N[N-]3)=CSC2=CC=C1	REAL250004676424	1	29	-1.0	-43.09	270.22	5.25	-37.84
O=C(OCC1=NN=N[N-]1)C1=C2C=CC=CC2=NS1	REAL250004676425	0	24	-1.0	-39.42	240.36	3.75	-35.67
O=C(OCC1=N[N-]N=N1)C1=C2C=CC=CC2=NS1	REAL250004676425	1	24	-1.0	-39.39	240.30	3.73	-35.66
CN1N=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C21	REAL250004676426	0	27	-1.0	-51.03	253.12	2.41	-48.62
CN1N=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C21	REAL250004676426	1	27	-1.0	-51.00	253.06	2.39	-48.61
CCOC1=CC=C(Cl)N=C1C(=O)OCC1=NN=N[N-]1	REAL250004676427	0	28	-1.0	-48.37	272.32	3.41	-44.96
CCOC1=CC=C(Cl)N=C1C(=O)OCC1=N[N-]N=N1	REAL250004676427	1	28	-1.0	-48.39	272.26	3.40	-44.99
COC1=NC=C(C(=O)OCC2=N[N-]N=N2)C(C)=N1	REAL250004676428	0	27	-1.0	-36.05	248.77	-0.99	-37.04
COC1=NC=C(C(=O)OCC2=NN=N[N-]2)C(C)=N1	REAL250004676428	1	27	-1.0	-36.02	248.83	-0.98	-37.00
O=C(OCC1=NN=N[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL250004676429	0	29	-1.0	-43.70	277.27	3.66	-40.04
O=C(OCC1=N[N-]N=N1)C1=COC(CN2C=CC=N2)=C1	REAL250004676429	1	29	-1.0	-43.69	277.21	3.65	-40.04
O=C(OCC1=N[N-]N=N1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004676430	0	31	-1.0	-38.33	260.80	-0.35	-38.68
O=C(OCC1=NN=N[N-]1)[C@]12CCO[C@H]1CC(=O)NC2	REAL250004676430	1	31	-1.0	-38.34	260.86	-0.34	-38.68
CCC1=CC=C(C(=O)OCC2=N[N-]N=N2)C(F)=C1	REAL250004676431	0	28	-1.0	-40.31	257.72	5.25	-35.06
CCC1=CC=C(C(=O)OCC2=NN=N[N-]2)C(F)=C1	REAL250004676431	1	28	-1.0	-40.27	257.78	5.26	-35.01
CCOC1=C(C(=O)OCC2=N[N-]N=N2)C=CS1	REAL250004676432	0	26	-1.0	-43.52	253.18	3.72	-39.80
CCOC1=C(C(=O)OCC2=NN=N[N-]2)C=CS1	REAL250004676432	1	26	-1.0	-43.48	253.23	3.73	-39.75
CN(C)C1=NC2=C(C(=O)OCC3=NN=N[N-]3)C=CC=C2O1	REAL250004676433	0	32	-1.0	-47.74	289.66	2.54	-45.20
CN(C)C1=NC2=C(C(=O)OCC3=N[N-]N=N3)C=CC=C2O1	REAL250004676433	1	32	-1.0	-47.75	289.60	2.53	-45.22
CCC(=CC1=CC=CC=C1)C(=O)OCC1=N[N-]N=N1	REAL250004676434	0	32	-1.0	-38.97	275.10	6.14	-32.83
CCC(=CC1=CC=CC=C1)C(=O)OCC1=NN=N[N-]1	REAL250004676434	1	32	-1.0	-38.97	275.15	6.15	-32.82
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCOCC1	REAL250004676435	0	36	-1.0	-54.56	304.03	0.81	-53.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCOCC1	REAL250004676435	1	36	-1.0	-54.57	304.08	0.83	-53.74
CC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676436	0	34	-1.0	-47.98	298.19	0.75	-47.23
CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676436	1	34	-1.0	-48.01	298.25	0.77	-47.24
CCCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676437	0	40	-1.0	-47.53	340.28	2.32	-45.21
CCCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676437	1	40	-1.0	-47.51	340.34	2.34	-45.17
CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676438	0	37	-1.0	-47.72	318.78	1.56	-46.16
CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676438	1	37	-1.0	-47.72	318.84	1.57	-46.15
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676439	0	38	-1.0	-47.61	329.30	2.33	-45.28
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676439	1	38	-1.0	-47.60	329.36	2.34	-45.26
COCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676440	0	38	-1.0	-50.63	331.51	0.92	-49.71
COCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676440	1	38	-1.0	-50.65	331.56	0.94	-49.71
CC(C)C(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676441	0	40	-1.0	-47.28	338.34	2.23	-45.05
CC(C)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676441	1	40	-1.0	-47.28	338.39	2.25	-45.03
NC(=O)C(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676442	0	35	-1.0	-48.42	314.13	-3.12	-51.54
NC(=O)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676442	1	35	-1.0	-48.41	314.19	-3.10	-51.51
CC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676443	0	31	-1.0	-52.60	276.98	-0.03	-52.63
CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676443	1	31	-1.0	-52.63	277.03	-0.01	-52.64
CCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676444	0	37	-1.0	-52.06	318.79	1.55	-50.51
CCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676444	1	37	-1.0	-52.05	318.84	1.56	-50.49
CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676445	0	34	-1.0	-52.28	297.29	0.78	-51.50
CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676445	1	34	-1.0	-52.29	297.34	0.80	-51.49
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676446	0	35	-1.0	-51.90	307.81	1.55	-50.35
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676446	1	35	-1.0	-51.95	307.86	1.57	-50.38
CC(C)CC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676447	0	40	-1.0	-51.59	335.51	2.13	-49.46
CC(C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676447	1	40	-1.0	-51.55	335.57	2.15	-49.40
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC1	REAL250004676448	0	38	-1.0	-51.86	324.02	2.05	-49.81
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL250004676448	1	38	-1.0	-51.89	324.07	2.07	-49.82
COCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676449	0	35	-1.0	-55.65	310.01	0.14	-55.51
COCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676449	1	35	-1.0	-55.65	310.07	0.16	-55.49
CC1CC1C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676450	0	38	-1.0	-51.77	329.18	2.22	-49.55
CC1CC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676450	1	38	-1.0	-51.79	329.24	2.24	-49.55
CCOCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676451	0	38	-1.0	-55.65	331.86	1.10	-54.55
CCOCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676451	1	38	-1.0	-55.68	331.92	1.12	-54.56
CC(C)=CC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676452	0	38	-1.0	-50.94	326.76	2.10	-48.84
CC(C)=CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676452	1	38	-1.0	-50.96	326.81	2.11	-48.85
CSCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676453	0	35	-1.0	-54.75	320.35	1.21	-53.54
CSCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676453	1	35	-1.0	-54.78	320.41	1.22	-53.56
CCCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676454	0	40	-1.0	-52.14	340.28	2.33	-49.81
CCCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676454	1	40	-1.0	-52.10	340.34	2.34	-49.76
CC(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676455	0	37	-1.0	-51.79	316.84	1.45	-50.34
CC(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676455	1	37	-1.0	-51.81	316.89	1.47	-50.34
CCC(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676456	0	40	-1.0	-51.75	334.96	2.10	-49.65
CCC(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676456	1	40	-1.0	-51.73	335.02	2.12	-49.61
O=C(CC1CC1)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676457	0	38	-1.0	-52.43	328.22	2.32	-50.11
O=C(CC1CC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676457	1	38	-1.0	-52.42	328.28	2.34	-50.08
COC(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676458	0	38	-1.0	-55.38	328.99	0.91	-54.47
COC(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676458	1	38	-1.0	-55.38	329.05	0.92	-54.46
C=CCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676459	0	38	-1.0	-51.89	331.60	2.11	-49.78
C=CCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676459	1	38	-1.0	-51.91	331.65	2.12	-49.79
COCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676460	0	38	-1.0	-51.60	330.96	-0.15	-51.75
COCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676460	1	38	-1.0	-51.57	331.02	-0.13	-51.70
CC(C#N)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676461	0	35	-1.0	-60.17	316.27	1.08	-59.09
CC(C#N)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676461	1	35	-1.0	-60.19	316.32	1.09	-59.10
CC=C(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676462	0	38	-1.0	-52.05	325.60	2.06	-49.99
CC=C(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676462	1	38	-1.0	-52.03	325.66	2.08	-49.95
NC(=O)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676463	0	32	-1.0	-48.79	292.63	-3.89	-52.68
NC(=O)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676463	1	32	-1.0	-48.79	292.69	-3.88	-52.67
CC(C)(F)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676464	0	37	-1.0	-49.47	323.75	1.45	-48.02
CC(C)(F)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676464	1	37	-1.0	-49.49	323.81	1.47	-48.02
CC(C)(C)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676465	0	40	-1.0	-51.68	335.72	2.02	-49.66
CC(C)(C)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676465	1	40	-1.0	-51.72	335.78	2.03	-49.69
CC1(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676466	0	38	-1.0	-51.60	325.55	2.15	-49.45
CC1(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676466	1	38	-1.0	-51.63	325.61	2.17	-49.46
C[C@@H]1C[C@H]1C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676467	0	38	-1.0	-51.82	329.20	2.22	-49.60
C[C@@H]1C[C@H]1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676467	1	38	-1.0	-51.83	329.25	2.24	-49.59
CCC(F)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676468	0	37	-1.0	-52.91	325.06	1.58	-51.33
CCC(F)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676468	1	37	-1.0	-52.89	325.12	1.60	-51.29
O=C(CCCF)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676469	0	37	-1.0	-55.09	325.38	1.69	-53.40
O=C(CCCF)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676469	1	37	-1.0	-55.10	325.43	1.70	-53.40
C[C@H]1C[C@@H]1C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676470	0	38	-1.0	-51.79	329.18	2.22	-49.57
C[C@H]1C[C@@H]1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676470	1	38	-1.0	-51.80	329.24	2.24	-49.56
CC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676471	0	38	-1.0	-52.92	308.48	3.60	-49.32
CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676471	1	38	-1.0	-52.96	308.54	3.61	-49.35
CC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676472	0	38	-1.0	-48.36	332.45	0.06	-48.30
CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676472	1	38	-1.0	-48.39	332.51	0.07	-48.32
CC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676473	0	38	-1.0	-47.35	310.37	2.78	-44.57
CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676473	1	38	-1.0	-47.31	310.43	2.80	-44.51
CC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676474	0	34	-1.0	-49.74	295.67	1.21	-48.53
CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676474	1	34	-1.0	-49.73	295.73	1.23	-48.50
CCCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676475	0	40	-1.0	-49.38	337.46	2.79	-46.59
CCCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676475	1	40	-1.0	-49.37	337.52	2.80	-46.57
CCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676476	0	37	-1.0	-49.42	315.96	2.02	-47.40
CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676476	1	37	-1.0	-49.45	316.02	2.04	-47.41
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC1	REAL250004676477	0	38	-1.0	-49.80	326.48	2.79	-47.01
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC1	REAL250004676477	1	38	-1.0	-49.79	326.54	2.81	-46.98
COCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676478	0	38	-1.0	-52.65	328.69	1.39	-51.26
COCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676478	1	38	-1.0	-52.65	328.74	1.41	-51.24
CC(C)C(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676479	0	40	-1.0	-49.25	335.53	2.68	-46.57
CC(C)C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676479	1	40	-1.0	-49.29	335.58	2.69	-46.60
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C(N)=O	REAL250004676480	0	35	-1.0	-50.51	311.31	-2.63	-53.14
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(N)=O	REAL250004676480	1	35	-1.0	-50.55	311.37	-2.62	-53.17
CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676481	0	34	-1.0	-50.92	293.82	0.60	-50.32
CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676481	1	34	-1.0	-50.90	293.88	0.62	-50.28
CCCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676482	0	40	-1.0	-50.45	335.63	2.18	-48.27
CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676482	1	40	-1.0	-50.47	335.68	2.19	-48.28
CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676483	0	37	-1.0	-50.68	314.13	1.41	-49.27
CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676483	1	37	-1.0	-50.67	314.19	1.43	-49.24
CC(CNC(=O)C1CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676484	0	38	-1.0	-49.77	324.68	2.19	-47.58
CC(CNC(=O)C1CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676484	1	38	-1.0	-49.76	324.73	2.21	-47.55
COCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676485	0	38	-1.0	-53.97	326.85	0.78	-53.19
COCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676485	1	38	-1.0	-53.95	326.91	0.79	-53.16
CC(C)C(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676486	0	40	-1.0	-50.19	333.67	2.08	-48.11
CC(C)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676486	1	40	-1.0	-50.21	333.73	2.10	-48.11
CC(CNC(=O)C(N)=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676487	0	35	-1.0	-47.16	309.49	-3.25	-50.41
CC(CNC(=O)C(N)=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676487	1	35	-1.0	-47.19	309.54	-3.24	-50.43
CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676488	0	34	-1.0	-50.92	293.82	0.60	-50.32
CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676488	1	34	-1.0	-50.90	293.88	0.62	-50.28
CCCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676489	0	40	-1.0	-50.45	335.63	2.18	-48.27
CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676489	1	40	-1.0	-50.47	335.68	2.19	-48.28
CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676490	0	37	-1.0	-50.68	314.13	1.41	-49.27
CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676490	1	37	-1.0	-50.67	314.19	1.43	-49.24
CC(CNC(=O)C1CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676491	0	38	-1.0	-49.77	324.68	2.19	-47.58
CC(CNC(=O)C1CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676491	1	38	-1.0	-49.76	324.73	2.21	-47.55
COCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676492	0	38	-1.0	-53.97	326.85	0.78	-53.19
COCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676492	1	38	-1.0	-53.95	326.91	0.79	-53.16
CC(C)C(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676493	0	40	-1.0	-50.19	333.67	2.08	-48.11
CC(C)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676493	1	40	-1.0	-50.21	333.73	2.10	-48.11
CC(CNC(=O)C(N)=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676494	0	35	-1.0	-47.16	309.49	-3.25	-50.41
CC(CNC(=O)C(N)=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676494	1	35	-1.0	-47.19	309.54	-3.24	-50.43
CC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676495	0	40	-1.0	-47.23	327.56	2.38	-44.85
CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676495	1	40	-1.0	-47.24	327.62	2.40	-44.84
CC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676496	0	34	-1.0	-51.94	297.36	0.78	-51.16
CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676496	1	34	-1.0	-51.95	297.42	0.79	-51.16
CCCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676497	0	40	-1.0	-51.50	339.15	2.36	-49.14
CCCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676497	1	40	-1.0	-51.54	339.21	2.38	-49.16
CCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676498	0	37	-1.0	-51.62	317.65	1.60	-50.02
CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676498	1	37	-1.0	-51.68	317.71	1.61	-50.07
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC1	REAL250004676499	0	38	-1.0	-51.61	328.17	2.37	-49.24
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC1	REAL250004676499	1	38	-1.0	-51.61	328.23	2.38	-49.23
COCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676500	0	38	-1.0	-55.16	330.37	0.96	-54.20
COCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676500	1	38	-1.0	-55.15	330.43	0.98	-54.17
CC(C)C(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676501	0	40	-1.0	-51.48	337.20	2.26	-49.22
CC(C)C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676501	1	40	-1.0	-51.47	337.26	2.28	-49.19
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C(N)=O	REAL250004676502	0	35	-1.0	-50.39	313.00	-3.07	-53.46
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(N)=O	REAL250004676502	1	35	-1.0	-50.39	313.06	-3.05	-53.44
CC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676503	0	35	-1.0	-49.31	304.40	2.13	-47.18
CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676503	1	35	-1.0	-49.29	304.46	2.14	-47.15
CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676504	0	38	-1.0	-50.19	325.56	3.09	-47.10
CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676504	1	38	-1.0	-50.22	325.62	3.11	-47.11
CC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676505	0	38	-1.0	-56.68	319.18	2.94	-53.74
CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676505	1	38	-1.0	-56.70	319.24	2.96	-53.74
CC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676506	0	35	-1.0	-48.88	295.27	1.99	-46.89
CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676506	1	35	-1.0	-48.91	295.33	2.01	-46.90
CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676507	0	38	-1.0	-51.01	317.16	2.86	-48.15
CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676507	1	38	-1.0	-51.02	317.22	2.88	-48.14
CC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676508	0	32	-1.0	-48.76	280.23	1.19	-47.57
CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676508	1	32	-1.0	-48.77	280.29	1.20	-47.57
CCCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676509	0	38	-1.0	-48.26	323.24	2.83	-45.43
CCCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676509	1	38	-1.0	-48.29	323.29	2.84	-45.45
CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676510	0	35	-1.0	-48.54	301.74	2.07	-46.47
CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676510	1	35	-1.0	-48.56	301.80	2.09	-46.47
O=C(C1CC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676511	0	36	-1.0	-48.55	312.11	2.92	-45.63
O=C(C1CC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676511	1	36	-1.0	-48.54	312.16	2.93	-45.61
COCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676512	0	36	-1.0	-51.63	314.46	1.46	-50.17
COCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676512	1	36	-1.0	-51.63	314.52	1.48	-50.15
CC(C)C(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676513	0	38	-1.0	-46.13	321.94	2.59	-43.54
CC(C)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676513	1	38	-1.0	-46.13	322.00	2.61	-43.52
NC(=O)C(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676514	0	33	-1.0	-46.00	294.98	-2.69	-48.69
NC(=O)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676514	1	33	-1.0	-46.01	295.03	-2.68	-48.69
CC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676515	0	38	-1.0	-50.21	310.70	2.78	-47.43
CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676515	1	38	-1.0	-50.20	310.76	2.80	-47.40
CC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676516	0	35	-1.0	-51.50	298.46	0.95	-50.55
CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676516	1	35	-1.0	-51.49	298.52	0.96	-50.53
CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676517	0	38	-1.0	-51.32	318.77	1.76	-49.56
CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676517	1	38	-1.0	-51.37	318.83	1.77	-49.60
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCCF	REAL250004676518	0	37	-1.0	-56.48	324.75	1.82	-54.66
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCCF	REAL250004676518	1	37	-1.0	-56.45	324.80	1.84	-54.61
C[C@@H](O)CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676519	0	38	-1.0	-54.11	322.43	0.33	-53.78
C[C@@H](O)CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676519	1	38	-1.0	-54.08	322.48	0.35	-53.73
CCOCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676520	0	38	-1.0	-53.88	330.61	0.20	-53.68
CCOCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676520	1	38	-1.0	-53.87	330.67	0.21	-53.66
CN(CC1CC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676521	0	38	-1.0	-54.40	324.64	3.77	-50.63
CN(CC1CC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676521	1	38	-1.0	-54.45	324.70	3.79	-50.66
COCCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676522	0	38	-1.0	-53.19	324.62	1.40	-51.79
COCCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676522	1	38	-1.0	-53.21	324.68	1.41	-51.80
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676523	0	35	-1.0	-54.88	299.53	2.66	-52.22
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676523	1	35	-1.0	-54.88	299.59	2.68	-52.20
CN(C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676524	0	38	-1.0	-44.68	321.66	3.32	-41.36
CN(C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676524	1	38	-1.0	-44.72	321.72	3.33	-41.39
CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676525	0	38	-1.0	-54.29	320.02	3.13	-51.16
CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676525	1	38	-1.0	-54.26	320.07	3.15	-51.11
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC2CC2C1	REAL250004676526	0	36	-1.0	-54.34	308.42	3.26	-51.08
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC2CC2C1	REAL250004676526	1	36	-1.0	-54.35	308.48	3.28	-51.07
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCCO	REAL250004676527	0	38	-1.0	-57.30	329.57	-1.65	-58.95
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCCO	REAL250004676527	1	38	-1.0	-57.34	329.63	-1.64	-58.98
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC1	REAL250004676528	0	38	-1.0	-54.73	314.79	3.17	-51.56
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL250004676528	1	38	-1.0	-54.74	314.85	3.19	-51.55
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC1CC1	REAL250004676529	0	38	-1.0	-54.27	328.27	2.47	-51.80
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC1CC1	REAL250004676529	1	38	-1.0	-54.27	328.33	2.48	-51.79
CCCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676530	0	37	-1.0	-54.69	314.75	2.98	-51.71
CCCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676530	1	37	-1.0	-54.73	314.80	2.99	-51.74
CCCN(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676531	0	40	-1.0	-44.51	336.88	3.63	-40.88
CCCN(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676531	1	40	-1.0	-44.56	336.94	3.65	-40.91
CC1CC1NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676532	0	35	-1.0	-54.22	306.65	1.69	-52.53
CC1CC1NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676532	1	35	-1.0	-54.19	306.70	1.71	-52.48
CC1CC1NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676533	0	38	-1.0	-44.49	328.78	2.30	-42.19
CC1CC1NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676533	1	38	-1.0	-44.51	328.83	2.31	-42.20
CCC1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676534	0	38	-1.0	-54.68	325.31	3.22	-51.46
CCC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676534	1	38	-1.0	-54.65	325.37	3.23	-51.42
CCCONC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676536	0	38	-1.0	-47.27	332.16	2.64	-44.63
CCCONC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676536	1	38	-1.0	-47.26	332.21	2.66	-44.60
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC=CC1	REAL250004676537	0	36	-1.0	-53.27	311.63	2.18	-51.09
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC=CC1	REAL250004676537	1	36	-1.0	-53.29	311.69	2.19	-51.10
C=C(C)CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676538	0	38	-1.0	-54.14	325.17	3.43	-50.71
C=C(C)CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676538	1	38	-1.0	-54.16	325.23	3.45	-50.71
CCN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)C	REAL250004676539	0	40	-1.0	-53.41	324.27	3.46	-49.95
CCN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL250004676539	1	40	-1.0	-53.42	324.33	3.47	-49.95
COC1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676540	0	36	-1.0	-54.83	316.42	0.77	-54.06
COC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676540	1	36	-1.0	-54.84	316.48	0.79	-54.05
C=CCC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676541	0	38	-1.0	-54.07	329.72	2.37	-51.70
C=CCC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676541	1	38	-1.0	-54.07	329.78	2.38	-51.69
CCCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676542	0	37	-1.0	-54.69	314.75	2.98	-51.71
CCCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676542	1	37	-1.0	-54.73	314.80	2.99	-51.74
CCCN(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676543	0	40	-1.0	-44.51	336.88	3.63	-40.88
CCCN(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676543	1	40	-1.0	-44.56	336.94	3.65	-40.91
CC(O)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676544	0	38	-1.0	-57.28	328.46	-1.61	-58.89
CC(O)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676544	1	38	-1.0	-57.28	328.52	-1.59	-58.87
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC(F)F	REAL250004676545	0	31	-1.0	-53.57	287.92	0.47	-53.10
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(F)F	REAL250004676545	1	31	-1.0	-53.52	287.98	0.48	-53.04
CC1(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL250004676546	0	38	-1.0	-53.62	318.31	2.08	-51.54
CC1(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL250004676546	1	38	-1.0	-53.61	318.37	2.10	-51.51
C=C(Cl)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676547	0	32	-1.0	-52.95	304.73	1.21	-51.74
C=C(Cl)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676547	1	32	-1.0	-52.95	304.79	1.22	-51.73
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC=CC1	REAL250004676548	0	33	-1.0	-55.02	291.21	2.40	-52.62
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC=CC1	REAL250004676548	1	33	-1.0	-54.96	291.26	2.41	-52.55
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC=CC1	REAL250004676549	0	36	-1.0	-45.07	313.36	3.01	-42.06
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC=CC1	REAL250004676549	1	36	-1.0	-45.05	313.42	3.03	-42.02
CCCN(CC)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676550	0	40	-1.0	-53.66	334.72	3.89	-49.77
CCCN(CC)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676550	1	40	-1.0	-53.67	334.77	3.91	-49.76
CC1CC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676551	0	38	-1.0	-54.48	321.77	2.15	-52.33
CC1CC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676551	1	38	-1.0	-54.43	321.83	2.17	-52.26
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[C@H](O)C1	REAL250004676552	0	36	-1.0	-57.44	310.51	-0.86	-58.30
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[C@H](O)C1	REAL250004676552	1	36	-1.0	-57.42	310.57	-0.84	-58.26
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[C@@H](O)C1	REAL250004676553	0	36	-1.0	-58.13	309.60	-0.87	-59.00
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[C@@H](O)C1	REAL250004676553	1	36	-1.0	-58.15	309.66	-0.85	-59.00
CC(CO)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676554	0	38	-1.0	-54.70	326.22	-1.65	-56.35
CC(CO)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676554	1	38	-1.0	-54.70	326.28	-1.63	-56.33
CC(CCO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676555	0	38	-1.0	-55.14	327.83	-1.44	-56.58
CC(CCO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676555	1	38	-1.0	-55.14	327.89	-1.42	-56.56
NC(=O)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676556	0	32	-1.0	-54.49	290.70	-3.68	-58.17
NC(=O)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676556	1	32	-1.0	-54.51	290.76	-3.66	-58.17
NC(=O)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676557	0	35	-1.0	-48.39	312.84	-3.07	-51.46
NC(=O)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676557	1	35	-1.0	-48.43	312.89	-3.06	-51.49
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC=CCC1	REAL250004676558	0	36	-1.0	-54.31	305.16	3.18	-51.13
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC=CCC1	REAL250004676558	1	36	-1.0	-54.29	305.21	3.19	-51.10
CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676559	0	32	-1.0	-42.06	285.86	0.34	-41.72
CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676559	1	32	-1.0	-42.08	285.92	0.35	-41.73
CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL250004676560	0	36	-1.0	-52.15	311.15	1.59	-50.56
CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL250004676560	1	36	-1.0	-52.12	311.21	1.61	-50.51
CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676561	0	31	-1.0	-45.22	275.80	-0.09	-45.31
CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676561	1	31	-1.0	-45.27	275.86	-0.07	-45.34
CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676562	0	34	-1.0	-54.31	297.30	0.72	-53.59
CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676562	1	34	-1.0	-54.30	297.35	0.73	-53.57
CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676563	0	35	-1.0	-47.27	297.14	0.77	-46.50
CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676563	1	35	-1.0	-47.28	297.20	0.79	-46.49
CN(CC1CC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676564	0	38	-1.0	-54.40	324.64	3.77	-50.63
CN(CC1CC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676564	1	38	-1.0	-54.45	324.70	3.79	-50.66
COCC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676565	0	38	-1.0	-52.80	327.70	0.16	-52.64
COCC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676565	1	38	-1.0	-52.78	327.76	0.17	-52.61
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCF	REAL250004676567	0	34	-1.0	-54.51	303.25	1.05	-53.46
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCF	REAL250004676567	1	34	-1.0	-54.55	303.30	1.06	-53.49
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCF	REAL250004676568	0	37	-1.0	-45.59	325.38	1.66	-43.93
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCF	REAL250004676568	1	37	-1.0	-45.63	325.43	1.67	-43.96
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N[C@H]1C[C@@H](O)C1	REAL250004676569	0	36	-1.0	-54.03	311.03	-1.49	-55.52
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N[C@H]1C[C@@H](O)C1	REAL250004676569	1	36	-1.0	-53.99	311.09	-1.48	-55.47
C[C@@H](CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676570	0	35	-1.0	-54.54	305.45	-2.25	-56.79
C[C@@H](CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676570	1	35	-1.0	-54.55	305.51	-2.23	-56.78
C[C@@H](CO)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676571	0	38	-1.0	-45.57	327.58	-1.64	-47.21
C[C@@H](CO)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676571	1	38	-1.0	-45.58	327.64	-1.62	-47.20
CC(C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676572	0	38	-1.0	-40.59	327.90	2.29	-38.30
CC(C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676572	1	38	-1.0	-40.64	327.95	2.30	-38.34
CC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676573	0	34	-1.0	-54.37	295.78	0.95	-53.42
CC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676573	1	34	-1.0	-54.38	295.84	0.96	-53.42
CC(C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676574	0	37	-1.0	-44.66	317.91	1.56	-43.10
CC(C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676574	1	37	-1.0	-44.66	317.97	1.57	-43.09
CC(C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676575	0	40	-1.0	-53.84	339.41	2.36	-51.48
CC(C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676575	1	40	-1.0	-53.87	339.47	2.38	-51.49
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCCC1	REAL250004676576	0	38	-1.0	-53.85	312.89	3.26	-50.59
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCCC1	REAL250004676576	1	38	-1.0	-53.88	312.95	3.27	-50.61
COCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676577	0	35	-1.0	-54.00	308.75	-0.78	-54.78
COCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676577	1	35	-1.0	-53.99	308.81	-0.77	-54.76
COCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676578	0	38	-1.0	-45.56	330.89	-0.17	-45.73
COCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676578	1	38	-1.0	-45.59	330.94	-0.16	-45.75
CCC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676579	0	37	-1.0	-54.19	316.41	1.91	-52.28
CCC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676579	1	37	-1.0	-54.20	316.47	1.93	-52.27
CCC(C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676580	0	40	-1.0	-44.52	338.54	2.52	-42.00
CCC(C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676580	1	40	-1.0	-44.50	338.60	2.54	-41.96
CCCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676581	0	40	-1.0	-54.03	339.65	2.46	-51.57
CCCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676581	1	40	-1.0	-54.03	339.71	2.48	-51.55
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1	REAL250004676582	0	35	-1.0	-54.47	299.26	2.53	-51.94
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1	REAL250004676582	1	35	-1.0	-54.44	299.32	2.54	-51.90
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1	REAL250004676583	0	38	-1.0	-44.80	321.37	3.17	-41.63
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1	REAL250004676583	1	38	-1.0	-44.79	321.43	3.18	-41.61
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=CC=CC=C1	REAL250004676584	0	35	-1.0	-55.96	308.98	3.04	-52.92
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=CC=CC=C1	REAL250004676584	1	35	-1.0	-55.96	309.04	3.05	-52.91
CCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676585	0	37	-1.0	-54.01	318.15	1.68	-52.33
CCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676585	1	37	-1.0	-54.00	318.21	1.70	-52.30
CCCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676586	0	40	-1.0	-44.41	340.28	2.29	-42.12
CCCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676586	1	40	-1.0	-44.44	340.34	2.30	-42.14
COCCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676587	0	38	-1.0	-54.49	330.33	-0.03	-54.52
COCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676587	1	38	-1.0	-54.52	330.38	-0.01	-54.53
CC(C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676588	0	40	-1.0	-54.01	335.72	2.19	-51.82
CC(C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676588	1	40	-1.0	-53.98	335.77	2.21	-51.77
C=CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676589	0	36	-1.0	-41.36	320.16	1.72	-39.64
C=CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676589	1	36	-1.0	-41.41	320.22	1.74	-39.67
C=CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676590	0	32	-1.0	-53.84	287.96	0.70	-53.14
C=CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676590	1	32	-1.0	-53.84	288.02	0.71	-53.13
C=CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676591	0	35	-1.0	-44.44	310.10	1.31	-43.13
C=CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676591	1	35	-1.0	-44.50	310.15	1.32	-43.18
C=CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676592	0	38	-1.0	-53.45	331.59	2.11	-51.34
C=CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676592	1	38	-1.0	-53.47	331.65	2.13	-51.34
CC(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676593	0	37	-1.0	-53.86	315.53	1.66	-52.20
CC(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676593	1	37	-1.0	-53.88	315.59	1.67	-52.21
CC(C)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676594	0	40	-1.0	-44.32	337.66	2.26	-42.06
CC(C)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676594	1	40	-1.0	-44.34	337.72	2.28	-42.06
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CCCC1	REAL250004676595	0	38	-1.0	-54.47	319.81	2.24	-52.23
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CCCC1	REAL250004676595	1	38	-1.0	-54.47	319.86	2.26	-52.21
CCC(CC)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676596	0	40	-1.0	-53.43	330.26	2.53	-50.90
CCC(CC)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676596	1	40	-1.0	-53.43	330.31	2.54	-50.89
CC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676597	0	37	-1.0	-53.48	308.98	1.45	-52.03
CC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676597	1	37	-1.0	-53.47	309.04	1.46	-52.01
CC(C)(C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676598	0	40	-1.0	-44.15	331.11	2.06	-42.09
CC(C)(C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676598	1	40	-1.0	-44.15	331.17	2.07	-42.08
CCC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676599	0	40	-1.0	-53.27	323.21	1.95	-51.32
CCC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676599	1	40	-1.0	-53.27	323.26	1.97	-51.30
CC(C)(CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676600	0	38	-1.0	-56.34	318.33	-1.76	-58.10
CC(C)(CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676600	1	38	-1.0	-56.34	318.39	-1.75	-58.09
CCN(CC)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676601	0	37	-1.0	-53.62	313.21	3.13	-50.49
CCN(CC)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676601	1	37	-1.0	-53.61	313.27	3.15	-50.46
CCN(CC)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676602	0	40	-1.0	-44.33	335.35	3.79	-40.54
CCN(CC)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676602	1	40	-1.0	-44.34	335.41	3.80	-40.54
CN(CCO)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676603	0	35	-1.0	-53.72	302.37	-1.01	-54.73
CN(CCO)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676603	1	35	-1.0	-53.68	302.43	-0.99	-54.67
CN(CCO)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676604	0	38	-1.0	-45.06	324.50	-0.35	-45.41
CN(CCO)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676604	1	38	-1.0	-45.06	324.56	-0.34	-45.40
CCCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676605	0	38	-1.0	-41.20	329.67	2.00	-39.20
CCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676605	1	38	-1.0	-41.17	329.72	2.01	-39.16
CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676606	0	34	-1.0	-54.15	296.65	0.91	-53.24
CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676606	1	34	-1.0	-54.17	296.71	0.93	-53.24
CCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676607	0	37	-1.0	-44.53	318.79	1.52	-43.01
CCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676607	1	37	-1.0	-44.52	318.84	1.53	-42.99
CCCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676608	0	40	-1.0	-53.77	340.28	2.32	-51.45
CCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676608	1	40	-1.0	-53.79	340.34	2.34	-51.45
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CCOC1	REAL250004676609	0	36	-1.0	-55.69	310.25	-0.28	-55.97
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CCOC1	REAL250004676609	1	36	-1.0	-55.70	310.31	-0.26	-55.96
C[C@H](O)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676610	0	35	-1.0	-53.59	307.62	-2.42	-56.01
C[C@H](O)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676610	1	35	-1.0	-53.61	307.68	-2.40	-56.01
C[C@H](O)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676611	0	38	-1.0	-45.32	329.75	-1.81	-47.13
C[C@H](O)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676611	1	38	-1.0	-45.32	329.81	-1.79	-47.11
C[C@@H](O)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676612	0	35	-1.0	-55.39	307.36	-2.35	-57.74
C[C@@H](O)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676612	1	35	-1.0	-55.39	307.42	-2.33	-57.72
C[C@@H](O)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676613	0	38	-1.0	-45.96	329.48	-1.74	-47.70
C[C@@H](O)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676613	1	38	-1.0	-45.95	329.54	-1.73	-47.68
CC[C@H](CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676614	0	38	-1.0	-53.24	319.48	-1.65	-54.89
CC[C@H](CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676614	1	38	-1.0	-53.22	319.54	-1.63	-54.85
CC(O)CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676615	0	38	-1.0	-53.45	323.53	-0.23	-53.68
CC(O)CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676615	1	38	-1.0	-53.52	323.58	-0.22	-53.74
CC1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676616	0	38	-1.0	-53.39	328.01	2.23	-51.16
CC1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676616	1	38	-1.0	-53.38	328.07	2.25	-51.13
CC(C)CN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676617	0	40	-1.0	-54.75	329.41	3.52	-51.23
CC(C)CN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676617	1	40	-1.0	-54.72	329.46	3.53	-51.19
COC(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676618	0	38	-1.0	-54.51	328.72	0.01	-54.50
COC(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676618	1	38	-1.0	-54.49	328.78	0.03	-54.46
C[C@H](CO)N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676619	0	38	-1.0	-53.46	316.63	-0.26	-53.72
C[C@H](CO)N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676619	1	38	-1.0	-53.45	316.68	-0.25	-53.70
C=CCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676620	0	35	-1.0	-54.81	306.06	2.77	-52.04
C=CCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676620	1	35	-1.0	-54.83	306.12	2.79	-52.04
C=CCN(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676621	0	38	-1.0	-44.75	328.19	3.43	-41.32
C=CCN(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676621	1	38	-1.0	-44.74	328.25	3.44	-41.30
C=C(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676622	0	35	-1.0	-53.39	309.58	1.36	-52.03
C=C(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676622	1	35	-1.0	-53.37	309.63	1.37	-52.00
C=C(C)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676623	0	38	-1.0	-44.19	331.71	1.96	-42.23
C=C(C)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676623	1	38	-1.0	-44.21	331.76	1.98	-42.23
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCCC1	REAL250004676624	0	38	-1.0	-53.85	312.89	3.26	-50.59
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCCC1	REAL250004676624	1	38	-1.0	-53.88	312.95	3.27	-50.61
CC[C@@H](CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676625	0	38	-1.0	-52.98	326.62	-1.34	-54.32
CC[C@@H](CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676625	1	38	-1.0	-52.99	326.67	-1.32	-54.31
CC(C)C(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676626	0	40	-1.0	-53.75	328.17	2.14	-51.61
CC(C)C(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676626	1	40	-1.0	-53.80	328.23	2.16	-51.64
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CC1	REAL250004676627	0	35	-1.0	-54.01	306.70	1.70	-52.31
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CC1	REAL250004676627	1	35	-1.0	-53.99	306.76	1.72	-52.27
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CC1	REAL250004676628	0	38	-1.0	-44.36	328.83	2.31	-42.05
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CC1	REAL250004676628	1	38	-1.0	-44.40	328.89	2.33	-42.07
CCN(CC)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676629	0	37	-1.0	-53.62	313.21	3.13	-50.49
CCN(CC)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676629	1	37	-1.0	-53.61	313.27	3.15	-50.46
CCN(CC)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676630	0	40	-1.0	-44.33	335.35	3.79	-40.54
CCN(CC)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676630	1	40	-1.0	-44.34	335.41	3.80	-40.54
CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676631	0	35	-1.0	-41.61	307.35	1.18	-40.43
CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676631	1	35	-1.0	-41.61	307.41	1.19	-40.42
CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676632	0	31	-1.0	-54.25	275.16	0.15	-54.10
CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676632	1	31	-1.0	-54.25	275.21	0.16	-54.09
CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676633	0	34	-1.0	-44.74	297.29	0.75	-43.99
CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676633	1	34	-1.0	-44.72	297.34	0.77	-43.95
CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676634	0	37	-1.0	-53.82	318.78	1.56	-52.26
CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676634	1	37	-1.0	-53.84	318.84	1.57	-52.27
CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004676635	0	38	-1.0	-46.75	318.62	1.62	-45.13
CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004676635	1	38	-1.0	-46.77	318.68	1.63	-45.14
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676636	0	38	-1.0	-54.17	325.57	2.41	-51.76
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676636	1	38	-1.0	-54.16	325.62	2.43	-51.73
C[C@H](NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004676637	0	38	-1.0	-54.10	325.56	2.41	-51.69
C[C@H](NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004676637	1	38	-1.0	-54.11	325.62	2.43	-51.68
CCC=CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676638	0	38	-1.0	-53.54	330.73	2.33	-51.21
CCC=CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676638	1	38	-1.0	-53.49	330.79	2.34	-51.15
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[C@H](F)C1	REAL250004676639	0	35	-1.0	-56.01	305.81	2.62	-53.39
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[C@H](F)C1	REAL250004676639	1	35	-1.0	-56.00	305.86	2.63	-53.37
CCCC(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676640	0	40	-1.0	-54.03	337.91	2.69	-51.34
CCCC(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676640	1	40	-1.0	-53.99	337.97	2.70	-51.29
COC[C@@H](C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676641	0	38	-1.0	-52.79	327.70	0.16	-52.63
COC[C@@H](C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676641	1	38	-1.0	-52.79	327.76	0.17	-52.62
CC(C)N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676642	0	37	-1.0	-54.49	309.44	2.72	-51.77
CC(C)N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676642	1	37	-1.0	-54.46	309.49	2.74	-51.72
CC(C)N(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676643	0	40	-1.0	-44.53	331.57	3.38	-41.15
CC(C)N(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676643	1	40	-1.0	-44.55	331.63	3.39	-41.16
CCN(C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004676644	0	38	-1.0	-43.17	323.90	3.16	-40.01
CCN(C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004676644	1	38	-1.0	-43.19	323.96	3.17	-40.02
CCN(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676645	0	34	-1.0	-54.68	293.25	2.22	-52.46
CCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676645	1	34	-1.0	-54.66	293.31	2.24	-52.42
CCN(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676646	0	37	-1.0	-44.68	315.38	2.88	-41.80
CCN(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676646	1	37	-1.0	-44.71	315.44	2.89	-41.82
CCN(C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676647	0	40	-1.0	-54.34	336.88	3.68	-50.66
CCN(C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676647	1	40	-1.0	-54.32	336.93	3.69	-50.63
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCO	REAL250004676648	0	35	-1.0	-55.11	308.08	-2.44	-57.55
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCO	REAL250004676648	1	35	-1.0	-55.10	308.13	-2.43	-57.53
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCCO	REAL250004676649	0	38	-1.0	-46.29	330.21	-1.82	-48.11
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCCO	REAL250004676649	1	38	-1.0	-46.29	330.26	-1.81	-48.10
CCC(CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676650	0	38	-1.0	-53.68	319.46	-1.65	-55.33
CCC(CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676650	1	38	-1.0	-53.71	319.52	-1.63	-55.34
CCN(CCO)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676651	0	38	-1.0	-52.69	322.34	-0.09	-52.78
CCN(CCO)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676651	1	38	-1.0	-52.71	322.39	-0.08	-52.79
CC(O)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676652	0	35	-1.0	-53.58	307.32	-2.35	-55.93
CC(O)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676652	1	35	-1.0	-53.59	307.38	-2.33	-55.92
CC(O)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676653	0	38	-1.0	-45.32	329.75	-1.81	-47.13
CC(O)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676653	1	38	-1.0	-45.33	329.81	-1.79	-47.12
CC(CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676654	0	35	-1.0	-54.16	305.45	-2.25	-56.41
CC(CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676654	1	35	-1.0	-54.20	305.51	-2.23	-56.43
CC(CO)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676655	0	38	-1.0	-45.90	327.58	-1.64	-47.54
CC(CO)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676655	1	38	-1.0	-45.87	327.64	-1.62	-47.49
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC1	REAL250004676656	0	38	-1.0	-53.95	323.39	2.20	-51.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC1	REAL250004676656	1	38	-1.0	-53.89	323.45	2.22	-51.67
CC(C)=CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676657	0	38	-1.0	-53.57	327.06	2.12	-51.45
CC(C)=CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676657	1	38	-1.0	-53.56	327.12	2.13	-51.43
CN(CCCO)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676658	0	38	-1.0	-57.64	326.17	-0.35	-57.99
CN(CCCO)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676658	1	38	-1.0	-57.60	326.23	-0.34	-57.94
CC(CO)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676659	0	35	-1.0	-54.16	305.45	-2.25	-56.41
CC(CO)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676659	1	35	-1.0	-54.20	305.51	-2.23	-56.43
CC(CO)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676660	0	38	-1.0	-45.90	327.58	-1.64	-47.54
CC(CO)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676660	1	38	-1.0	-45.87	327.64	-1.62	-47.49
CCC(C)N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676661	0	40	-1.0	-54.44	329.88	3.80	-50.64
CCC(C)N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676661	1	40	-1.0	-54.48	329.94	3.81	-50.67